#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iaf s MET 3 N 0.00 2.76 0.04 0.00 1.00 -1.26 -1.03 119.30 120.81 3iaf s MET 3 Ca 0.00 -1.02 0.05 0.00 0.00 0.00 0.00 55.69 54.72 3iaf s MET 3 Cb 0.00 -2.98 -0.02 0.00 0.00 0.00 0.00 34.83 31.83 3iaf s MET 3 CO 0.00 -0.42 -0.15 0.96 0.00 0.00 0.00 175.02 175.41 3iaf s ILE 4 N 1.30 1.15 0.68 2.53 -4.36 -1.11 -4.93 121.20 116.47 3iaf s ILE 4 Ca -0.01 -0.99 -0.15 0.00 -0.26 0.00 0.00 60.65 59.24 3iaf s ILE 4 Cb -0.17 -1.03 0.01 0.00 1.25 0.00 0.00 42.46 42.52 3iaf s ILE 4 CO -0.05 0.03 1.16 0.42 0.24 0.00 0.00 174.94 176.75 3iaf s THR 5 N -0.82 2.75 0.57 8.37 -4.23 -1.26 -2.71 115.64 118.31 3iaf s THR 5 Ca 0.02 0.37 0.26 0.00 -1.18 0.00 0.00 61.69 61.16 3iaf s THR 5 Cb -0.08 -2.93 0.35 0.00 1.34 0.00 0.00 72.50 71.18 3iaf s THR 5 CO 0.01 -0.19 2.13 1.23 -0.54 0.00 0.00 174.62 177.25 3iaf h GLY 6 N -0.01 0.00 1.06 3.99 0.00 -0.42 -0.14 103.07 107.54 3iaf h GLY 6 Ca -0.48 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 3iaf h GLY 6 CO 0.52 0.00 0.05 -1.33 0.00 0.00 0.00 176.54 175.79 3iaf h GLY 7 N 0.00 1.12 0.58 4.60 0.00 -1.49 -2.88 103.07 104.99 3iaf h GLY 7 Ca 0.08 -0.78 0.06 0.00 0.00 0.00 0.00 47.33 46.69 3iaf h GLY 7 CO -0.00 0.72 0.21 0.83 0.00 0.00 0.00 176.54 178.30 3iaf h GLU 8 N 0.94 0.40 -0.60 4.80 4.39 -1.24 -2.09 114.58 121.18 3iaf h GLU 8 Ca 0.18 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.96 3iaf h GLU 8 Cb 0.49 -0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 28.97 3iaf h GLU 8 CO 0.02 0.26 0.18 -0.07 -1.16 0.00 0.00 179.01 178.25 3iaf h LEU 9 N 0.41 0.13 0.30 1.33 3.38 -1.35 0.53 115.31 120.03 3iaf h LEU 9 Ca 0.24 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3iaf h LEU 9 Cb 0.23 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3iaf h LEU 9 CO -0.22 0.08 -0.32 0.58 0.09 0.00 0.00 178.44 178.65 3iaf h VAL 10 N 0.34 0.33 -0.32 1.22 2.07 -1.25 0.52 116.25 119.16 3iaf h VAL 10 Ca 0.31 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.83 3iaf h VAL 10 Cb 0.42 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3iaf h VAL 10 CO -0.35 0.00 0.18 0.58 0.02 0.00 0.00 177.57 178.00 3iaf h VAL 11 N -0.65 1.12 -0.57 2.57 2.07 -0.76 0.19 116.25 120.23 3iaf h VAL 11 Ca -0.01 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.28 3iaf h VAL 11 Cb 0.60 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 3iaf h VAL 11 CO -0.08 0.13 0.19 0.03 0.02 0.00 0.00 177.57 177.86 3iaf h ARG 12 N 0.40 0.35 -0.63 1.57 3.08 0.10 -0.26 114.38 119.00 3iaf h ARG 12 Ca 0.11 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 3iaf h ARG 12 Cb 0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3iaf h ARG 12 CO -0.02 0.23 0.07 1.15 -1.07 0.00 0.00 179.97 180.34 3iaf h THR 13 N 0.37 1.26 -0.85 2.04 2.02 -0.31 -2.01 112.91 115.44 3iaf h THR 13 Ca 0.28 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 3iaf h THR 13 Cb 0.35 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 3iaf h THR 13 CO -0.30 0.40 0.48 -0.07 0.37 0.00 0.00 175.52 176.39 3iaf h LEU 14 N 0.99 1.06 -0.47 2.58 3.38 -0.13 -2.75 115.31 119.95 3iaf h LEU 14 Ca 0.19 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3iaf h LEU 14 Cb 0.48 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3iaf h LEU 14 CO 0.02 0.84 0.25 0.40 0.09 0.00 0.00 178.44 180.04 3iaf h ILE 15 N 1.18 1.18 0.00 1.22 2.04 -0.83 -2.16 117.51 120.13 3iaf h ILE 15 Ca 0.30 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3iaf h ILE 15 Cb 0.01 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3iaf h ILE 15 CO -0.05 0.19 0.00 1.17 0.00 0.00 0.00 178.15 179.46 3iaf n LYS 16 N -4.65 0.19 -0.01 2.37 3.00 -0.77 -1.75 118.16 116.53 3iaf n LYS 16 Ca 0.02 0.15 0.07 0.00 -0.00 0.00 0.00 58.31 58.54 3iaf n LYS 16 Cb 0.10 -1.50 -0.11 0.00 0.00 0.00 0.00 35.03 33.52 3iaf n LYS 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3iaf n ALA 17 N -1.23 2.49 0.00 3.14 0.00 -0.86 -3.91 120.51 120.13 3iaf n ALA 17 Ca 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3iaf n ALA 17 Cb 0.08 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3iaf n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iaf n GLY 18 N 1.74 0.98 3.74 0.00 0.00 -0.72 -4.99 105.19 105.95 3iaf n GLY 18 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3iaf n GLY 18 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iaf s VAL 19 N -2.00 3.54 0.00 1.61 -7.23 -1.09 -4.93 120.40 110.30 3iaf s VAL 19 Ca 0.00 1.33 0.00 0.00 -1.81 0.00 0.00 61.98 61.50 3iaf s VAL 19 Cb 0.00 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 33.09 3iaf s VAL 19 CO 0.00 0.23 0.36 -0.62 -0.31 0.00 0.00 175.10 174.75 3iaf n GLU 20 N 2.29 -0.47 -3.82 4.82 1.02 -1.26 -4.58 120.64 118.64 3iaf n GLU 20 Ca 0.03 -0.36 -0.12 0.00 -0.02 0.00 0.00 57.16 56.70 3iaf n GLU 20 Cb 0.45 -0.85 -0.12 0.00 -0.02 0.00 0.00 31.44 30.90 3iaf n GLU 20 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3iaf s HIS 21 N -0.03 -0.16 0.00 -0.32 3.76 -1.26 -4.22 115.29 113.06 3iaf s HIS 21 Ca 0.00 0.39 0.05 0.00 -0.15 0.00 0.00 55.06 55.35 3iaf s HIS 21 Cb 0.00 0.05 -0.02 0.00 1.11 0.00 0.00 32.58 33.72 3iaf s HIS 21 CO 0.00 -0.12 -0.16 -0.51 -0.85 0.00 0.00 174.74 173.10 3iaf s LEU 22 N -0.14 2.07 -0.09 0.89 1.02 -0.22 -4.58 118.68 117.63 3iaf s LEU 22 Ca -0.02 -0.34 0.03 0.00 0.02 0.00 0.00 54.13 53.81 3iaf s LEU 22 Cb -0.02 -0.79 -0.01 0.00 0.02 0.00 0.00 46.19 45.38 3iaf s LEU 22 CO 0.00 0.16 -0.18 -0.36 0.02 0.00 0.00 176.35 176.00 3iaf s PHE 23 N -0.50 2.66 0.00 0.29 0.08 -0.95 -0.02 117.98 119.55 3iaf s PHE 23 Ca 0.05 -0.64 0.00 0.00 0.12 0.00 0.00 56.93 56.46 3iaf s PHE 23 Cb -0.07 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.66 3iaf s PHE 23 CO -0.00 -0.18 0.00 0.41 -0.10 0.00 0.00 175.22 175.35 3iaf n GLY 24 N 3.17 0.66 2.96 4.36 0.00 -1.13 0.21 105.19 115.42 3iaf n GLY 24 Ca -0.18 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 3iaf n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iaf s LEU 25 N 0.00 0.87 0.60 0.99 2.96 -1.09 -1.98 118.68 121.03 3iaf s LEU 25 Ca 0.00 0.32 -0.19 0.00 -0.22 0.00 0.00 54.13 54.04 3iaf s LEU 25 Cb 0.00 0.43 -0.04 0.00 0.50 0.00 0.00 46.19 47.09 3iaf s LEU 25 CO 0.00 -0.13 1.18 1.57 -1.32 0.00 0.00 176.35 177.65 3iaf n HIS 26 N 3.92 1.57 0.00 5.38 -0.00 -1.26 -4.30 115.22 120.53 3iaf n HIS 26 Ca -0.23 0.43 0.00 0.00 -0.00 0.00 0.00 57.72 57.92 3iaf n HIS 26 Cb 0.54 -2.24 0.00 0.00 -0.00 0.00 0.00 29.99 28.29 3iaf n HIS 26 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3iaf n GLY 27 N 1.03 1.67 4.44 1.57 0.00 -1.26 -4.85 105.19 107.79 3iaf n GLY 27 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3iaf n GLY 27 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3iaf n HIS 29 N 0.00 0.00 0.09 1.61 8.25 -1.26 -4.92 115.22 118.99 3iaf n HIS 29 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 3iaf n HIS 29 Cb 0.00 -0.06 0.03 0.00 1.12 0.00 0.00 29.99 31.08 3iaf n HIS 29 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3iaf n ILE 30 N -0.42 0.34 -0.30 1.59 -5.35 -1.26 -4.65 119.36 109.31 3iaf n ILE 30 Ca 0.00 -0.67 0.10 0.00 -0.27 0.00 0.00 62.75 61.91 3iaf n ILE 30 Cb 0.00 0.89 0.33 0.00 -1.74 0.00 0.00 39.64 39.12 3iaf n ILE 30 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 3iaf h ASP 31 N 0.77 0.75 -0.91 7.28 3.58 -1.97 0.12 116.42 126.03 3iaf h ASP 31 Ca 0.00 0.04 0.19 0.00 0.42 0.00 0.00 57.03 57.68 3iaf h ASP 31 Cb 0.31 -0.11 -0.07 0.00 1.72 0.00 0.00 39.33 41.18 3iaf h ASP 31 CO 0.00 0.39 0.59 0.00 -2.88 0.00 0.00 179.24 177.34 3iaf h THR 32 N 0.79 0.71 0.00 2.25 1.03 -1.94 0.14 112.91 115.90 3iaf h THR 32 Ca 0.46 -0.17 -0.18 0.00 -0.01 0.00 0.00 66.41 66.51 3iaf h THR 32 Cb 0.63 0.16 -0.02 0.00 -1.07 0.00 0.00 68.15 67.85 3iaf h THR 32 CO -0.22 0.09 -0.86 0.40 -0.01 0.00 0.00 175.52 174.92 3iaf h ILE 33 N 0.51 1.61 -0.16 0.00 2.04 -1.06 -3.22 117.51 117.23 3iaf h ILE 33 Ca 0.48 -2.91 -0.10 0.00 1.00 0.00 0.00 64.86 63.33 3iaf h ILE 33 Cb 1.04 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.69 3iaf h ILE 33 CO -0.21 0.83 -0.33 -0.26 0.00 0.00 0.00 178.15 178.18 3iaf h PHE 34 N 0.01 0.36 -0.43 1.37 -1.00 -0.32 -2.44 116.94 114.49 3iaf h PHE 34 Ca -0.01 -0.09 -0.11 0.00 2.81 0.00 0.00 57.97 60.58 3iaf h PHE 34 Cb 1.52 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.98 3iaf h PHE 34 CO 0.00 0.62 -0.15 1.96 -1.61 0.00 0.00 178.31 179.13 3iaf h GLN 35 N 0.28 0.87 -0.09 1.51 1.08 -1.12 -1.46 115.11 116.18 3iaf h GLN 35 Ca 0.03 -0.35 -0.13 0.00 -1.45 0.00 0.00 58.65 56.75 3iaf h GLN 35 Cb 0.73 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 3iaf h GLN 35 CO 0.06 0.99 -0.53 0.00 -0.95 0.00 0.00 178.83 178.40 3iaf h ALA 36 N 0.85 0.93 -0.27 3.87 0.00 -1.56 -2.29 119.26 120.80 3iaf h ALA 36 Ca 0.10 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 3iaf h ALA 36 Cb 0.70 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3iaf h ALA 36 CO 0.05 0.68 -0.34 0.00 0.00 0.00 0.00 179.25 179.65 3iaf h LEU 38 N 0.50 0.94 -0.52 0.00 6.46 -1.07 -1.12 115.31 120.50 3iaf h LEU 38 Ca 0.06 -0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 57.67 3iaf h LEU 38 Cb 0.82 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.49 3iaf h LEU 38 CO 0.07 0.76 0.15 0.44 -0.62 0.00 0.00 178.44 179.24 3iaf h ASP 39 N 1.04 0.78 -0.52 1.25 3.32 -1.16 -3.15 116.42 117.98 3iaf h ASP 39 Ca 0.27 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3iaf h ASP 39 Cb 0.03 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3iaf h ASP 39 CO -0.04 0.79 0.00 1.41 -1.72 0.00 0.00 179.24 179.68 3iaf n HIS 40 N -4.45 1.74 -3.52 4.55 8.25 -1.11 -4.93 115.22 115.74 3iaf n HIS 40 Ca 0.02 -0.74 -0.26 0.00 -0.26 0.00 0.00 57.72 56.48 3iaf n HIS 40 Cb 0.21 -0.42 -0.00 0.00 1.12 0.00 0.00 29.99 30.90 3iaf n HIS 40 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3iaf n ASP 41 N 0.47 -3.87 -4.50 0.41 8.00 -1.14 -4.94 116.55 110.97 3iaf n ASP 41 Ca 0.26 -0.51 -0.43 0.00 0.71 0.00 0.00 54.79 54.82 3iaf n ASP 41 Cb 1.08 -3.18 -0.06 0.00 -0.02 0.00 0.00 41.12 38.94 3iaf n ASP 41 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iaf s VAL 42 N -3.02 4.74 0.25 2.53 1.01 -0.43 -5.04 120.40 120.42 3iaf s VAL 42 Ca 0.47 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.19 3iaf s VAL 42 Cb -0.25 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 31.74 3iaf s VAL 42 CO 0.58 -0.76 0.95 -2.16 0.00 0.00 0.00 175.10 173.72 3iaf s PRO 43 N 3.03 4.83 -0.39 2.72 0.05 -1.26 -4.40 135.00 139.58 3iaf s PRO 43 Ca 0.23 1.51 -0.07 0.00 0.05 0.00 0.00 61.00 62.72 3iaf s PRO 43 Cb -0.15 -3.25 0.07 0.00 0.05 0.00 0.00 34.50 31.22 3iaf s PRO 43 CO 0.18 0.49 0.20 0.42 0.05 0.00 0.00 177.00 178.33 3iaf s ILE 44 N -1.19 3.90 -0.73 0.56 1.01 -1.26 -1.05 121.20 122.44 3iaf s ILE 44 Ca 0.42 -1.44 -0.26 0.00 0.00 0.00 0.00 60.65 59.37 3iaf s ILE 44 Cb -0.26 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 3iaf s ILE 44 CO 0.32 -0.44 1.84 -0.63 0.00 0.00 0.00 174.94 176.04 3iaf s ILE 45 N 1.36 3.42 0.06 2.92 1.09 0.98 -4.90 121.20 126.14 3iaf s ILE 45 Ca 0.02 -0.01 -0.24 0.00 -1.10 0.00 0.00 60.65 59.32 3iaf s ILE 45 Cb -0.22 -4.05 -0.06 0.00 -1.06 0.00 0.00 42.46 37.07 3iaf s ILE 45 CO 0.01 -1.01 0.72 1.51 -0.10 0.00 0.00 174.94 176.07 3iaf s ASP 46 N 7.74 7.19 0.39 3.58 -4.77 -1.26 -2.84 116.67 126.70 3iaf s ASP 46 Ca 0.66 1.42 0.04 0.00 -3.30 0.00 0.00 52.55 51.37 3iaf s ASP 46 Cb -0.10 -2.45 0.04 0.00 -1.09 0.00 0.00 42.92 39.32 3iaf s ASP 46 CO 0.12 0.09 0.32 0.35 0.70 0.00 0.00 175.17 176.75 3iaf n THR 47 N 2.47 0.00 0.92 2.11 -2.24 -0.84 -4.93 114.28 111.77 3iaf n THR 47 Ca -0.04 -1.53 0.12 0.00 -2.27 0.00 0.00 64.05 60.33 3iaf n THR 47 Cb 0.50 -0.21 0.30 0.00 -2.10 0.00 0.00 70.33 68.81 3iaf n THR 47 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3iaf n ARG 48 N -1.46 2.08 -3.63 -0.78 5.12 -1.26 -4.87 116.66 111.86 3iaf n ARG 48 Ca -0.00 -1.61 -0.13 0.00 -1.93 0.00 0.00 57.85 54.18 3iaf n ARG 48 Cb 0.44 -1.46 -0.07 0.00 -1.16 0.00 0.00 32.46 30.22 3iaf n ARG 48 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3iaf s HIS 49 N -1.75 -0.78 0.29 -1.55 2.46 -1.26 -5.02 115.29 107.68 3iaf s HIS 49 Ca 0.34 1.89 -0.02 0.00 0.47 0.00 0.00 55.06 57.74 3iaf s HIS 49 Cb 0.20 0.29 0.41 0.00 -0.13 0.00 0.00 32.58 33.36 3iaf s HIS 49 CO 0.29 -0.38 1.91 0.93 -2.47 0.00 0.00 174.74 175.03 3iaf h GLU 50 N 5.05 1.00 -0.22 2.88 3.07 -1.90 -1.58 114.58 122.89 3iaf h GLU 50 Ca -0.29 -0.11 0.06 0.00 -0.50 0.00 0.00 59.36 58.51 3iaf h GLU 50 Cb 1.16 -0.20 -0.07 0.00 -0.84 0.00 0.00 28.75 28.81 3iaf h GLU 50 CO 0.06 0.74 -0.25 0.00 -1.40 0.00 0.00 179.01 178.17 3iaf h ALA 51 N 1.42 -0.16 -0.92 3.43 0.00 -1.86 0.19 119.26 121.36 3iaf h ALA 51 Ca 0.26 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.24 3iaf h ALA 51 Cb 0.04 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3iaf h ALA 51 CO -0.04 -0.68 0.61 0.00 0.00 0.00 0.00 179.25 179.14 3iaf h ALA 52 N 0.74 1.35 -0.76 0.00 0.00 -1.79 0.60 119.26 119.40 3iaf h ALA 52 Ca 0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3iaf h ALA 52 Cb 0.46 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3iaf h ALA 52 CO -0.37 0.61 0.29 0.00 0.00 0.00 0.00 179.25 179.78 3iaf h ALA 53 N 1.43 0.98 -0.08 0.00 0.00 -0.72 0.36 119.26 121.22 3iaf h ALA 53 Ca 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3iaf h ALA 53 Cb -0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.35 3iaf h ALA 53 CO -0.07 0.62 -0.02 0.78 0.00 0.00 0.00 179.25 180.56 3iaf h GLY 54 N 1.10 0.17 2.00 0.00 0.00 0.21 -2.33 103.07 104.21 3iaf h GLY 54 Ca 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 3iaf h GLY 54 CO -0.02 0.12 -0.12 0.45 0.00 0.00 0.00 176.54 176.97 3iaf h HIS 55 N -0.17 0.00 -0.59 5.60 3.86 -0.87 -1.45 115.15 121.52 3iaf h HIS 55 Ca 0.02 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.13 3iaf h HIS 55 Cb 0.41 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 3iaf h HIS 55 CO 0.05 0.12 -0.03 0.00 0.86 0.00 0.00 177.93 178.93 3iaf h ALA 56 N 1.88 0.81 -0.37 2.45 0.00 -0.36 0.29 119.26 123.96 3iaf h ALA 56 Ca -0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 3iaf h ALA 56 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3iaf h ALA 56 CO 0.02 0.67 -0.09 0.00 0.00 0.00 0.00 179.25 179.85 3iaf h ALA 57 N 0.98 1.15 0.13 0.00 0.00 -0.79 0.37 119.26 121.09 3iaf h ALA 57 Ca 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3iaf h ALA 57 Cb 0.60 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3iaf h ALA 57 CO 0.04 0.54 -0.06 0.93 0.00 0.00 0.00 179.25 180.69 3iaf h GLU 58 N 0.59 -0.17 -0.28 0.00 5.08 -0.95 -0.65 114.58 118.19 3iaf h GLU 58 Ca 0.11 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 3iaf h GLU 58 Cb 0.50 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 3iaf h GLU 58 CO 0.03 -0.08 -0.04 0.78 -1.00 0.00 0.00 179.01 178.70 3iaf h GLY 59 N -0.21 0.23 0.40 -3.84 0.00 0.02 0.04 103.07 99.71 3iaf h GLY 59 Ca -0.02 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.41 3iaf h GLY 59 CO 0.03 -0.09 -0.26 -1.82 0.00 0.00 0.00 176.54 174.40 3iaf h TYR 60 N 0.03 -0.71 -0.43 5.60 5.03 -0.12 -0.13 116.97 126.25 3iaf h TYR 60 Ca 0.13 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.47 3iaf h TYR 60 Cb 0.19 0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.77 3iaf h TYR 60 CO -0.25 -0.35 0.29 0.00 -1.32 0.00 0.00 178.16 176.53 3iaf h ALA 61 N 0.42 1.70 0.11 1.82 0.00 -0.66 -2.60 119.26 120.05 3iaf h ALA 61 Ca 0.06 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.60 3iaf h ALA 61 Cb 0.49 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3iaf h ALA 61 CO -0.23 0.28 -1.84 0.00 0.00 0.00 0.00 179.25 177.45 3iaf h ARG 62 N 0.58 0.24 0.00 0.00 3.08 -0.75 -2.30 114.38 115.23 3iaf h ARG 62 Ca 0.16 -0.42 -0.16 0.00 0.07 0.00 0.00 59.98 59.63 3iaf h ARG 62 Cb -0.06 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3iaf h ARG 62 CO -0.03 1.10 -0.76 0.00 -1.07 0.00 0.00 179.97 179.21 3iaf h ALA 63 N 0.29 0.75 -0.01 0.04 0.00 -1.04 -3.33 119.26 115.96 3iaf h ALA 63 Ca -0.36 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 53.86 3iaf h ALA 63 Cb 2.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3iaf h ALA 63 CO 0.11 0.95 -0.30 0.41 0.00 0.00 0.00 179.25 180.42 3iaf n GLY 64 N 0.66 -0.11 3.68 0.00 0.00 -0.98 -4.90 105.19 103.53 3iaf n GLY 64 Ca -0.01 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 3iaf n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iaf n ALA 65 N -0.35 -1.64 -3.53 4.61 0.00 -0.88 -5.01 120.51 113.71 3iaf n ALA 65 Ca 0.05 0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.51 3iaf n ALA 65 Cb 0.25 -3.63 -0.02 0.00 0.00 0.00 0.00 19.45 16.05 3iaf n ALA 65 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3iaf n LYS 66 N -4.54 0.35 -2.27 0.00 0.00 -1.12 -4.98 118.16 105.61 3iaf n LYS 66 Ca -0.13 -1.08 -0.41 0.00 -0.00 0.00 0.00 58.31 56.70 3iaf n LYS 66 Cb 0.61 0.79 -0.03 0.00 -0.00 0.00 0.00 35.03 36.39 3iaf n LYS 66 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3iaf s LEU 67 N 0.00 4.48 -0.13 -5.58 2.96 -1.26 -4.31 118.68 114.84 3iaf s LEU 67 Ca 0.11 2.50 -0.03 0.00 -0.22 0.00 0.00 54.13 56.49 3iaf s LEU 67 Cb 0.01 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 3iaf s LEU 67 CO 0.08 -0.37 0.00 -0.83 -1.32 0.00 0.00 176.35 173.91 3iaf s GLY 68 N -0.62 1.82 -0.28 7.98 0.00 -0.82 -4.62 107.32 110.78 3iaf s GLY 68 Ca 0.47 -0.80 -0.00 0.00 0.00 0.00 0.00 44.72 44.39 3iaf s GLY 68 CO 0.47 -0.29 -0.05 0.14 0.00 0.00 0.00 173.10 173.38 3iaf s VAL 69 N -0.25 2.70 0.14 1.40 1.01 -1.26 0.68 120.40 124.81 3iaf s VAL 69 Ca 0.06 -1.41 -0.07 0.00 0.00 0.00 0.00 61.98 60.55 3iaf s VAL 69 Cb -0.12 -2.53 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 3iaf s VAL 69 CO 0.02 -0.03 0.41 0.00 0.00 0.00 0.00 175.10 175.50 3iaf s ALA 70 N 1.21 3.73 -0.18 5.51 0.00 -0.91 -2.24 121.76 128.89 3iaf s ALA 70 Ca -0.06 -0.45 -0.05 0.00 0.00 0.00 0.00 51.96 51.41 3iaf s ALA 70 Cb -0.19 -2.23 0.07 0.00 0.00 0.00 0.00 23.12 20.77 3iaf s ALA 70 CO -0.03 0.61 0.13 -1.17 0.00 0.00 0.00 175.76 175.31 3iaf s LEU 71 N -2.45 0.18 0.23 0.00 1.98 0.13 -1.39 118.68 117.36 3iaf s LEU 71 Ca 0.40 -0.47 0.09 0.00 -2.89 0.00 0.00 54.13 51.25 3iaf s LEU 71 Cb -0.12 -0.03 -0.05 0.00 0.66 0.00 0.00 46.19 46.65 3iaf s LEU 71 CO 0.22 -0.34 -0.15 0.68 -1.89 0.00 0.00 176.35 174.87 3iaf s VAL 72 N 2.20 1.92 0.28 1.68 -7.23 0.68 -2.66 120.40 117.26 3iaf s VAL 72 Ca 0.04 -2.26 -0.02 0.00 -1.81 0.00 0.00 61.98 57.94 3iaf s VAL 72 Cb -0.16 -2.13 0.06 0.00 0.56 0.00 0.00 36.38 34.71 3iaf s VAL 72 CO -0.10 -0.53 0.38 1.07 -0.31 0.00 0.00 175.10 175.61 3iaf n THR 73 N -0.45 0.00 -1.88 5.32 5.66 -1.26 -1.89 114.28 119.78 3iaf n THR 73 Ca -0.07 -0.49 -0.33 0.00 -3.05 0.00 0.00 64.05 60.11 3iaf n THR 73 Cb 0.60 -1.37 0.03 0.00 -1.55 0.00 0.00 70.33 68.05 3iaf n THR 73 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3iaf s ALA 74 N -3.18 2.59 0.00 1.79 0.00 -1.20 -2.19 121.76 119.56 3iaf s ALA 74 Ca 0.24 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3iaf s ALA 74 Cb -0.01 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3iaf s ALA 74 CO 0.16 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.25 3iaf n GLY 75 N -0.71 0.30 0.23 0.00 0.00 -1.11 -2.25 105.19 101.66 3iaf n GLY 75 Ca 0.10 0.66 0.07 0.00 0.00 0.00 0.00 46.02 46.84 3iaf n GLY 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3iaf h GLY 76 N 0.00 0.00 1.22 -0.02 0.00 -1.87 -1.66 103.07 100.74 3iaf h GLY 76 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3iaf h GLY 76 CO 0.00 0.00 -0.18 -1.33 0.00 0.00 0.00 176.54 175.03 3iaf h GLY 77 N 0.63 0.98 0.45 4.60 0.00 -1.56 -2.62 103.07 105.55 3iaf h GLY 77 Ca -0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 47.33 46.48 3iaf h GLY 77 CO 0.02 0.75 -0.09 -2.75 0.00 0.00 0.00 176.54 174.48 3iaf h PHE 78 N 0.80 0.13 -0.24 5.60 3.57 -0.94 -3.23 116.94 122.64 3iaf h PHE 78 Ca 0.11 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 3iaf h PHE 78 Cb 0.72 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 3iaf h PHE 78 CO 0.04 0.72 0.02 1.79 -2.23 0.00 0.00 178.31 178.66 3iaf h THR 79 N -0.50 1.14 0.00 4.41 1.35 -1.36 -0.43 112.91 117.52 3iaf h THR 79 Ca -0.00 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3iaf h THR 79 Cb 0.73 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 3iaf h THR 79 CO 0.02 0.18 0.00 0.78 -0.25 0.00 0.00 175.52 176.24 3iaf h ASN 80 N 0.34 0.00 0.18 5.36 2.35 -1.57 -2.56 115.58 119.67 3iaf h ASN 80 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3iaf h ASN 80 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 3iaf h ASN 80 CO 0.00 0.00 -0.07 0.00 -1.65 0.00 0.00 177.43 175.71 3iaf n ALA 81 N -2.00 2.73 -0.12 -0.83 0.00 -0.18 -2.58 120.51 117.52 3iaf n ALA 81 Ca 0.02 -0.31 -0.11 0.00 0.00 0.00 0.00 53.44 53.03 3iaf n ALA 81 Cb 0.34 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 3iaf n ALA 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iaf h VAL 82 N 0.98 1.28 0.05 0.00 2.07 -1.35 -1.92 116.25 117.35 3iaf h VAL 82 Ca 0.00 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.41 3iaf h VAL 82 Cb 0.34 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3iaf h VAL 82 CO 0.00 0.37 -0.06 0.74 0.02 0.00 0.00 177.57 178.64 3iaf h THR 83 N 0.45 0.87 -0.67 2.57 2.02 -1.80 -1.49 112.91 114.86 3iaf h THR 83 Ca 0.09 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.41 3iaf h THR 83 Cb 0.57 0.87 -0.11 0.00 -1.74 0.00 0.00 68.15 67.73 3iaf h THR 83 CO 0.03 0.00 0.05 -0.65 0.37 0.00 0.00 175.52 175.32 3iaf h PRO 84 N -0.13 0.15 -0.46 6.66 0.11 -1.83 -0.56 132.00 135.94 3iaf h PRO 84 Ca 0.01 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.16 3iaf h PRO 84 Cb 0.13 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.15 3iaf h PRO 84 CO -0.02 0.10 0.19 0.82 -0.21 0.00 0.00 178.00 178.87 3iaf h ILE 85 N 0.15 0.89 -0.36 4.15 2.04 -0.77 0.74 117.51 124.35 3iaf h ILE 85 Ca 0.36 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.96 3iaf h ILE 85 Cb 0.61 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3iaf h ILE 85 CO -0.55 0.07 -0.31 0.00 0.00 0.00 0.00 178.15 177.36 3iaf h ALA 86 N 1.28 0.77 -0.64 1.87 0.00 -0.98 -1.35 119.26 120.21 3iaf h ALA 86 Ca 0.21 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3iaf h ALA 86 Cb 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3iaf h ALA 86 CO -0.19 0.65 0.08 -0.97 0.00 0.00 0.00 179.25 178.82 3iaf h ASN 87 N 0.67 1.02 0.10 0.00 -1.24 -0.68 -2.06 115.58 113.40 3iaf h ASN 87 Ca 0.07 -0.25 -0.07 0.00 0.71 0.00 0.00 56.30 56.77 3iaf h ASN 87 Cb 0.85 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.61 3iaf h ASN 87 CO 0.07 1.03 -0.22 0.00 -1.29 0.00 0.00 177.43 177.02 3iaf h ALA 88 N 1.09 1.39 -0.00 1.57 0.00 -0.69 -1.51 119.26 121.11 3iaf h ALA 88 Ca 0.19 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iaf h ALA 88 Cb 0.45 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3iaf h ALA 88 CO 0.02 0.43 -0.00 2.35 0.00 0.00 0.00 179.25 182.04 3iaf h TRP 89 N 0.21 0.00 0.00 0.00 2.91 -0.70 -2.16 115.95 116.21 3iaf h TRP 89 Ca 0.04 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.00 3iaf h TRP 89 Cb 0.51 -0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.15 3iaf h TRP 89 CO 0.01 0.33 -0.29 -0.07 -1.03 0.00 0.00 178.44 177.39 3iaf h LEU 90 N -0.33 0.00 -0.40 0.65 3.38 -1.35 -3.16 115.31 114.10 3iaf h LEU 90 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iaf h LEU 90 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3iaf h LEU 90 CO 0.00 0.25 -0.08 0.47 0.09 0.00 0.00 178.44 179.18 3iaf n ASP 91 N -3.15 0.69 -3.75 -0.43 9.92 -0.57 -4.61 116.55 114.65 3iaf n ASP 91 Ca 0.03 -0.91 -0.22 0.00 -0.53 0.00 0.00 54.79 53.15 3iaf n ASP 91 Cb 0.64 -0.02 0.02 0.00 -0.64 0.00 0.00 41.12 41.12 3iaf n ASP 91 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3iaf n ARG 92 N -0.65 -4.59 -4.91 -1.24 1.74 -1.08 -4.92 116.66 101.01 3iaf n ARG 92 Ca 0.17 0.58 -0.33 0.00 -0.77 0.00 0.00 57.85 57.50 3iaf n ARG 92 Cb 0.27 -5.05 -0.15 0.00 -1.02 0.00 0.00 32.46 26.51 3iaf n ARG 92 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3iaf s THR 93 N -3.73 2.81 -1.10 0.55 -1.32 -0.83 -4.32 115.64 107.70 3iaf s THR 93 Ca 0.01 -0.76 -0.18 0.00 -1.21 0.00 0.00 61.69 59.55 3iaf s THR 93 Cb -0.00 -2.14 0.12 0.00 -1.51 0.00 0.00 72.50 68.96 3iaf s THR 93 CO 0.83 0.54 1.39 -2.16 -2.21 0.00 0.00 174.62 173.01 3iaf s PRO 94 N 0.13 3.83 -0.03 7.08 0.04 -1.26 -3.33 135.00 141.46 3iaf s PRO 94 Ca -0.08 -1.96 0.01 0.00 0.04 0.00 0.00 61.00 59.01 3iaf s PRO 94 Cb -0.15 -5.15 -0.03 0.00 0.04 0.00 0.00 34.50 29.20 3iaf s PRO 94 CO 0.05 -1.93 -0.04 0.08 0.04 0.00 0.00 177.00 175.20 3iaf s VAL 95 N 3.00 3.92 -0.44 -0.36 1.01 -1.24 -1.94 120.40 124.34 3iaf s VAL 95 Ca 0.42 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 3iaf s VAL 95 Cb -0.02 -2.69 0.12 0.00 0.00 0.00 0.00 36.38 33.79 3iaf s VAL 95 CO -0.03 0.47 0.27 -0.22 0.00 0.00 0.00 175.10 175.59 3iaf s LEU 96 N -1.24 5.46 -0.20 3.92 1.98 0.21 -1.68 118.68 127.15 3iaf s LEU 96 Ca 0.16 -1.99 -0.26 0.00 -2.89 0.00 0.00 54.13 49.15 3iaf s LEU 96 Cb -0.11 -1.91 -0.01 0.00 0.66 0.00 0.00 46.19 44.82 3iaf s LEU 96 CO 0.06 -0.61 0.90 -0.36 -1.89 0.00 0.00 176.35 174.45 3iaf s PHE 97 N 1.23 3.38 -0.24 5.38 0.08 0.35 -2.13 117.98 126.04 3iaf s PHE 97 Ca 0.07 1.31 -0.04 0.00 0.12 0.00 0.00 56.93 58.39 3iaf s PHE 97 Cb -0.24 -3.11 -0.00 0.00 -0.57 0.00 0.00 43.02 39.10 3iaf s PHE 97 CO -0.03 -0.35 -0.02 -0.51 -0.10 0.00 0.00 175.22 174.22 3iaf s LEU 98 N 2.60 3.11 0.05 -0.37 1.43 -0.49 -0.83 118.68 124.19 3iaf s LEU 98 Ca 0.40 -0.50 0.09 0.00 -1.03 0.00 0.00 54.13 53.08 3iaf s LEU 98 Cb -0.16 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 3iaf s LEU 98 CO 0.10 -0.06 -0.25 0.28 0.23 0.00 0.00 176.35 176.65 3iaf s THR 99 N 1.47 2.29 0.64 5.49 -1.32 -0.98 -0.23 115.64 123.00 3iaf s THR 99 Ca 0.04 -1.39 -0.09 0.00 -1.21 0.00 0.00 61.69 59.04 3iaf s THR 99 Cb -0.15 -1.92 0.00 0.00 -1.51 0.00 0.00 72.50 68.92 3iaf s THR 99 CO -0.02 0.33 1.00 -0.83 -2.21 0.00 0.00 174.62 172.89 3iaf s GLY 100 N -1.38 1.61 0.20 6.08 0.00 -0.79 -0.55 107.32 112.50 3iaf s GLY 100 Ca 0.13 -0.44 -0.13 0.00 0.00 0.00 0.00 44.72 44.27 3iaf s GLY 100 CO 0.03 -0.13 0.42 -1.35 0.00 0.00 0.00 173.10 172.07 3iaf s SER 101 N -4.30 -0.10 0.28 1.64 1.04 -1.11 -3.24 113.70 107.90 3iaf s SER 101 Ca 0.56 -0.74 -0.30 0.00 0.48 0.00 0.00 55.95 55.94 3iaf s SER 101 Cb -0.11 0.53 -0.13 0.00 0.10 0.00 0.00 66.02 66.41 3iaf s SER 101 CO 0.49 -1.01 1.38 0.61 0.98 0.00 0.00 173.24 175.69 3iaf n GLY 102 N -0.30 0.75 3.52 7.32 0.00 -1.26 -0.33 105.19 114.88 3iaf n GLY 102 Ca -0.07 0.43 -0.37 0.00 0.00 0.00 0.00 46.02 46.02 3iaf n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iaf n ALA 103 N 1.42 -0.86 -0.23 4.61 0.00 -1.26 -4.47 120.51 119.72 3iaf n ALA 103 Ca 0.09 -0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 3iaf n ALA 103 Cb 0.33 -1.93 0.03 0.00 0.00 0.00 0.00 19.45 17.88 3iaf n ALA 103 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3iaf h LEU 104 N 0.02 0.94-10.07 0.00 3.38 -1.90 -3.27 115.31 104.40 3iaf h LEU 104 Ca -0.46 -0.22 -0.50 0.00 0.09 0.00 0.00 57.88 56.78 3iaf h LEU 104 Cb 1.37 -0.25 0.07 0.00 0.09 0.00 0.00 40.66 41.94 3iaf h LEU 104 CO 0.46 0.91 0.45 0.00 0.09 0.00 0.00 178.44 180.35 3iaf s ARG 105 N -5.37 3.41 -1.44 1.13 1.70 -1.26 -2.85 118.95 114.27 3iaf s ARG 105 Ca -0.12 1.66 -0.12 0.00 -0.47 0.00 0.00 55.73 56.67 3iaf s ARG 105 Cb 0.13 -2.08 0.09 0.00 -0.57 0.00 0.00 34.95 32.53 3iaf s ARG 105 CO 0.82 -0.82 0.68 -0.40 -1.08 0.00 0.00 175.30 174.51 3iaf n ASP 106 N -1.16 -4.07 -4.74 -2.89 5.68 -1.26 -4.99 116.55 103.11 3iaf n ASP 106 Ca 0.11 -0.60 -0.41 0.00 -0.50 0.00 0.00 54.79 53.39 3iaf n ASP 106 Cb 0.50 -3.32 -0.05 0.00 -1.14 0.00 0.00 41.12 37.11 3iaf n ASP 106 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3iaf s ASP 107 N -2.97 7.39 -1.09 -1.12 2.15 -1.13 -3.88 116.67 116.03 3iaf s ASP 107 Ca 0.53 2.03 -0.06 0.00 0.43 0.00 0.00 52.55 55.48 3iaf s ASP 107 Cb -0.28 -2.61 -0.05 0.00 -0.30 0.00 0.00 42.92 39.69 3iaf s ASP 107 CO 0.65 -0.10 0.91 1.21 -0.17 0.00 0.00 175.17 177.68 3iaf n GLU 108 N 2.08 -2.92 -0.15 4.34 4.07 -1.26 -4.96 120.64 121.83 3iaf n GLU 108 Ca 0.01 0.81 0.03 0.00 -0.06 0.00 0.00 57.16 57.95 3iaf n GLU 108 Cb 0.47 -5.64 0.04 0.00 -0.06 0.00 0.00 31.44 26.24 3iaf n GLU 108 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3iaf n THR 109 N -3.51 0.71 -3.97 6.31 -2.24 -1.25 -5.01 114.28 105.32 3iaf n THR 109 Ca -0.12 -0.81 -0.26 0.00 -2.27 0.00 0.00 64.05 60.59 3iaf n THR 109 Cb 0.63 0.43 -0.02 0.00 -2.10 0.00 0.00 70.33 69.27 3iaf n THR 109 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3iaf n ASN 110 N -0.48 -0.79 -4.97 3.42 3.02 -1.26 -4.98 115.26 109.22 3iaf n ASN 110 Ca 0.04 -0.99 -0.21 0.00 -0.03 0.00 0.00 54.58 53.39 3iaf n ASN 110 Cb 0.53 -3.10 -0.01 0.00 -0.61 0.00 0.00 39.78 36.60 3iaf n ASN 110 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3iaf s THR 111 N -3.86 4.54 -0.18 3.41 -1.32 -1.26 -5.03 115.64 111.94 3iaf s THR 111 Ca 0.10 -0.78 -0.36 0.00 -1.21 0.00 0.00 61.69 59.44 3iaf s THR 111 Cb -0.05 -3.62 -0.13 0.00 -1.51 0.00 0.00 72.50 67.19 3iaf s THR 111 CO 0.89 -0.31 1.89 -0.11 -2.21 0.00 0.00 174.62 174.77 3iaf n LEU 112 N -1.71 3.01 0.00 9.08 7.94 -1.26 -2.69 117.00 131.37 3iaf n LEU 112 Ca -0.03 0.91 0.00 0.00 -1.11 0.00 0.00 56.01 55.79 3iaf n LEU 112 Cb 0.57 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.22 3iaf n LEU 112 CO 0.45 -0.25 0.00 0.00 -1.11 0.00 0.00 177.39 176.49 3iaf n GLN 113 N 6.57 0.00 -2.09 1.96 6.02 -1.26 -4.82 117.38 123.76 3iaf n GLN 113 Ca 0.26 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 57.03 3iaf n GLN 113 Cb 0.25 -2.48 0.13 0.00 1.02 0.00 0.00 30.24 29.16 3iaf n GLN 113 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iaf n ALA 114 N 0.52 -0.40 0.00 -1.58 0.00 -1.09 -2.74 120.51 115.22 3iaf n ALA 114 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.78 3iaf n ALA 114 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.60 3iaf n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iaf n GLY 115 N -2.11 1.40 3.50 0.00 0.00 -1.26 -4.79 105.19 101.92 3iaf n GLY 115 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3iaf n GLY 115 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iaf s ILE 116 N -2.32 4.22 -1.03 -0.61 -4.36 -1.26 -5.03 121.20 110.81 3iaf s ILE 116 Ca 0.00 -0.22 -0.23 0.00 -0.26 0.00 0.00 60.65 59.94 3iaf s ILE 116 Cb 0.00 -2.91 0.00 0.00 1.25 0.00 0.00 42.46 40.80 3iaf s ILE 116 CO 0.00 0.42 1.73 -0.62 0.24 0.00 0.00 174.94 176.71 3iaf s ASP 117 N 0.91 5.87 0.32 4.36 -1.08 -1.26 -4.80 116.67 120.99 3iaf s ASP 117 Ca 0.02 -1.31 0.08 0.00 -0.52 0.00 0.00 52.55 50.82 3iaf s ASP 117 Cb -0.14 -2.57 0.54 0.00 -1.46 0.00 0.00 42.92 39.28 3iaf s ASP 117 CO 0.02 -2.11 1.75 1.56 0.52 0.00 0.00 175.17 176.91 3iaf h GLN 118 N 10.07 0.19 -0.37 4.34 4.20 -2.00 -2.23 115.11 129.31 3iaf h GLN 118 Ca 0.19 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.68 3iaf h GLN 118 Cb 0.98 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 3iaf h GLN 118 CO 1.33 0.55 -0.34 0.28 -0.67 0.00 0.00 178.83 179.98 3iaf h VAL 119 N 0.17 1.28 -0.72 -0.54 2.07 -1.95 -2.53 116.25 114.03 3iaf h VAL 119 Ca 0.02 -1.50 0.02 0.00 0.82 0.00 0.00 66.70 66.06 3iaf h VAL 119 Cb 0.74 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 3iaf h VAL 119 CO 0.06 0.50 0.46 0.00 0.02 0.00 0.00 177.57 178.60 3iaf h ALA 120 N 0.91 0.93 0.00 1.67 0.00 -1.81 0.15 119.26 121.11 3iaf h ALA 120 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3iaf h ALA 120 Cb 0.90 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3iaf h ALA 120 CO 0.08 0.26 -0.14 0.00 0.00 0.00 0.00 179.25 179.45 3iaf n MET 121 N -4.64 0.26 0.01 0.00 -0.00 -1.09 -3.55 117.12 108.12 3iaf n MET 121 Ca 0.07 0.18 -0.11 0.00 -0.00 0.00 0.00 57.70 57.84 3iaf n MET 121 Cb 0.07 -1.77 -0.14 0.00 -0.00 0.00 0.00 33.22 31.38 3iaf n MET 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3iaf h ALA 122 N 2.54 0.57 -0.59 3.17 0.00 -0.98 -3.40 119.26 120.56 3iaf h ALA 122 Ca 0.00 -1.30 0.12 0.00 0.00 0.00 0.00 54.91 53.73 3iaf h ALA 122 Cb 0.73 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.79 3iaf h ALA 122 CO 0.00 1.41 -0.03 0.00 0.00 0.00 0.00 179.25 180.64 3iaf h ALA 123 N 0.79 0.54 0.00 0.00 0.00 -0.77 0.53 119.26 120.36 3iaf h ALA 123 Ca -0.25 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iaf h ALA 123 Cb 1.98 0.34 0.00 0.00 0.00 0.00 0.00 17.79 20.10 3iaf h ALA 123 CO 0.10 -0.40 0.00 -0.35 0.00 0.00 0.00 179.25 178.60 3iaf n PRO 124 N -5.29 0.27 -0.86 0.00 -0.04 -1.26 -3.34 135.00 124.48 3iaf n PRO 124 Ca 0.08 0.11 0.03 0.00 -0.04 0.00 0.00 63.50 63.68 3iaf n PRO 124 Cb 0.33 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.34 3iaf n PRO 124 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3iaf n ILE 125 N -1.18 0.42 -3.97 0.52 -5.35 0.14 -5.08 119.36 104.85 3iaf n ILE 125 Ca 0.07 -0.96 -0.09 0.00 -0.27 0.00 0.00 62.75 61.50 3iaf n ILE 125 Cb 0.08 0.54 -0.11 0.00 -1.74 0.00 0.00 39.64 38.42 3iaf n ILE 125 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3iaf s THR 126 N -0.63 0.11 0.41 7.28 -4.23 -0.93 -4.58 115.64 113.07 3iaf s THR 126 Ca 0.21 -0.91 0.13 0.00 -1.18 0.00 0.00 61.69 59.94 3iaf s THR 126 Cb 0.22 -0.31 0.15 0.00 1.34 0.00 0.00 72.50 73.90 3iaf s THR 126 CO -0.07 -0.50 1.92 0.11 -0.54 0.00 0.00 174.62 175.54 3iaf h LYS 127 N 4.58 0.01 -2.16 3.99 1.57 -1.50 -3.44 116.57 119.62 3iaf h LYS 127 Ca -0.32 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 3iaf h LYS 127 Cb 1.21 -0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.30 3iaf h LYS 127 CO 0.42 0.27 0.03 -0.46 -0.57 0.00 0.00 179.45 179.14 3iaf s TRP 128 N -4.47 -0.76 -0.08 -1.35 -0.00 -1.26 -5.07 118.94 105.95 3iaf s TRP 128 Ca -0.04 1.79 -0.03 0.00 -0.00 0.00 0.00 56.10 57.82 3iaf s TRP 128 Cb 0.15 0.30 0.04 0.00 -0.00 0.00 0.00 33.47 33.97 3iaf s TRP 128 CO 0.71 -0.37 0.16 0.00 -0.00 0.00 0.00 176.95 177.45 3iaf s ALA 129 N 0.57 -0.23 -0.12 5.86 0.00 -1.26 -1.27 121.76 125.31 3iaf s ALA 129 Ca -0.02 0.63 -0.12 0.00 0.00 0.00 0.00 51.96 52.45 3iaf s ALA 129 Cb -0.05 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.42 3iaf s ALA 129 CO -0.03 -0.41 0.35 -1.58 0.00 0.00 0.00 175.76 174.09 3iaf s HIS 130 N 1.86 -0.37 -0.22 0.00 5.04 -1.00 -4.97 115.29 115.63 3iaf s HIS 130 Ca -0.02 0.90 -0.13 0.00 -1.54 0.00 0.00 55.06 54.27 3iaf s HIS 130 Cb -0.12 0.13 -0.04 0.00 0.04 0.00 0.00 32.58 32.59 3iaf s HIS 130 CO -0.06 -0.20 0.29 0.50 -2.34 0.00 0.00 174.74 172.94 3iaf s ARG 131 N 0.11 4.12 -0.01 2.88 3.52 -1.26 -1.00 118.95 127.30 3iaf s ARG 131 Ca -0.01 -0.01 -0.30 0.00 -0.13 0.00 0.00 55.73 55.28 3iaf s ARG 131 Cb -0.03 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 3iaf s ARG 131 CO 0.01 -0.01 1.19 0.08 -0.81 0.00 0.00 175.30 175.76 3iaf s VAL 132 N 1.26 4.20 -0.18 7.11 1.01 -0.30 -4.95 120.40 128.54 3iaf s VAL 132 Ca 0.14 1.55 0.08 0.00 0.00 0.00 0.00 61.98 63.75 3iaf s VAL 132 Cb -0.14 -4.00 -0.22 0.00 0.00 0.00 0.00 36.38 32.02 3iaf s VAL 132 CO 0.07 0.04 0.10 0.23 0.00 0.00 0.00 175.10 175.54 3iaf n MET 133 N 4.73 0.68 -4.87 2.72 0.00 -1.26 -4.55 117.12 114.57 3iaf n MET 133 Ca 0.10 0.13 -0.26 0.00 0.00 0.00 0.00 57.70 57.67 3iaf n MET 133 Cb 0.46 -1.59 -0.16 0.00 0.00 0.00 0.00 33.22 31.94 3iaf n MET 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3iaf s ALA 134 N -2.53 1.57 0.46 3.04 0.00 -1.26 -5.01 121.76 118.03 3iaf s ALA 134 Ca -0.19 -0.73 0.16 0.00 0.00 0.00 0.00 51.96 51.20 3iaf s ALA 134 Cb 0.07 -0.50 1.13 0.00 0.00 0.00 0.00 23.12 23.82 3iaf s ALA 134 CO 0.74 0.30 2.01 1.15 0.00 0.00 0.00 175.76 179.96 3iaf h THR 135 N 5.17 0.89 -0.43 0.00 2.02 -1.93 -1.12 112.91 117.51 3iaf h THR 135 Ca -0.33 -0.10 -0.09 0.00 0.77 0.00 0.00 66.41 66.67 3iaf h THR 135 Cb 1.17 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 3iaf h THR 135 CO 0.48 0.05 -0.07 -0.33 0.37 0.00 0.00 175.52 176.02 3iaf h GLU 136 N 0.28 0.80 0.00 6.66 3.07 -1.95 -3.08 114.58 120.36 3iaf h GLU 136 Ca 0.23 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 3iaf h GLU 136 Cb 0.53 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3iaf h GLU 136 CO -0.05 0.90 -0.03 0.45 -1.40 0.00 0.00 179.01 178.89 3iaf h HIS 137 N 0.63 0.00 -0.45 4.33 3.86 -1.62 -3.36 115.15 118.54 3iaf h HIS 137 Ca 0.11 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.36 3iaf h HIS 137 Cb 0.59 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.00 3iaf h HIS 137 CO 0.05 0.03 -0.27 -0.89 0.86 0.00 0.00 177.93 177.71 3iaf n ILE 138 N -3.63 -0.31 -0.08 2.45 5.41 -1.12 -1.18 119.36 120.91 3iaf n ILE 138 Ca -0.03 1.72 -0.10 0.00 1.00 0.00 0.00 62.75 65.34 3iaf n ILE 138 Cb 0.12 -2.19 -0.03 0.00 -0.71 0.00 0.00 39.64 36.84 3iaf n ILE 138 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3iaf h PRO 139 N 0.00 0.37 0.00 0.38 0.11 -1.83 0.98 132.00 132.01 3iaf h PRO 139 Ca 0.07 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 3iaf h PRO 139 Cb 0.18 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 3iaf h PRO 139 CO -0.42 0.39 -0.09 0.07 -0.21 0.00 0.00 178.00 177.73 3iaf h ARG 140 N 0.27 0.00 0.14 1.05 0.11 -1.78 0.40 114.38 114.57 3iaf h ARG 140 Ca 0.09 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.83 3iaf h ARG 140 Cb 0.14 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 3iaf h ARG 140 CO -0.01 0.09 -1.77 1.25 0.10 0.00 0.00 179.97 179.63 3iaf h LEU 141 N 0.00 0.45 -0.26 0.08 5.85 -0.18 -2.99 115.31 118.26 3iaf h LEU 141 Ca -0.00 -0.77 -0.00 0.00 0.84 0.00 0.00 57.88 57.95 3iaf h LEU 141 Cb 0.27 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3iaf h LEU 141 CO 0.01 1.66 0.15 0.58 -0.34 0.00 0.00 178.44 180.50 3iaf h VAL 142 N 0.08 1.11 0.02 1.05 2.07 0.14 -2.73 116.25 117.99 3iaf h VAL 142 Ca -0.34 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3iaf h VAL 142 Cb 2.05 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 3iaf h VAL 142 CO 0.14 0.11 -0.03 -0.03 0.02 0.00 0.00 177.57 177.78 3iaf h MET 143 N 0.31 -0.06 -0.75 1.57 1.85 -1.06 -2.64 114.93 114.15 3iaf h MET 143 Ca 0.09 0.00 0.17 0.00 -0.61 0.00 0.00 59.70 59.35 3iaf h MET 143 Cb 0.05 0.01 -0.14 0.00 0.43 0.00 0.00 31.60 31.96 3iaf h MET 143 CO -0.02 -0.04 -0.06 0.37 -0.40 0.00 0.00 176.91 176.77 3iaf h GLN 144 N -0.06 0.06 -0.66 0.39 4.15 -1.48 -1.29 115.11 116.21 3iaf h GLN 144 Ca 0.01 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.46 3iaf h GLN 144 Cb 0.07 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 3iaf h GLN 144 CO -0.02 0.04 0.40 0.00 -1.93 0.00 0.00 178.83 177.32 3iaf h ALA 145 N 1.72 0.86 -0.60 3.38 0.00 -1.15 -1.14 119.26 122.33 3iaf h ALA 145 Ca 0.40 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 3iaf h ALA 145 Cb 0.68 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3iaf h ALA 145 CO -0.70 0.14 0.23 0.82 0.00 0.00 0.00 179.25 179.74 3iaf h ILE 146 N 0.77 1.23 -0.33 0.00 2.04 -1.05 0.89 117.51 121.07 3iaf h ILE 146 Ca 0.27 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 65.39 3iaf h ILE 146 Cb 0.05 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3iaf h ILE 146 CO -0.12 0.29 0.20 0.03 0.00 0.00 0.00 178.15 178.55 3iaf h ARG 147 N 0.85 0.40 -0.84 2.37 3.08 -0.99 -0.17 114.38 119.08 3iaf h ARG 147 Ca 0.20 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.24 3iaf h ARG 147 Cb 0.22 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 3iaf h ARG 147 CO -0.01 0.26 0.55 0.00 -1.07 0.00 0.00 179.97 179.70 3iaf h ALA 148 N 1.14 1.07 -0.62 0.04 0.00 -0.97 -2.64 119.26 117.28 3iaf h ALA 148 Ca 0.13 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3iaf h ALA 148 Cb -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3iaf h ALA 148 CO -0.05 0.45 0.07 0.00 0.00 0.00 0.00 179.25 179.72 3iaf h ALA 149 N 1.32 0.83 0.00 0.00 0.00 -0.36 -3.26 119.26 117.79 3iaf h ALA 149 Ca 0.31 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3iaf h ALA 149 Cb -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.45 3iaf h ALA 149 CO -0.08 0.62 -0.20 -0.07 0.00 0.00 0.00 179.25 179.53 3iaf h LEU 150 N 0.96 0.00-10.23 0.00 3.38 -0.85 -2.80 115.31 105.78 3iaf h LEU 150 Ca 0.19 -0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.68 3iaf h LEU 150 Cb 0.47 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.25 3iaf h LEU 150 CO 0.02 0.00 0.38 -0.44 0.09 0.00 0.00 178.44 178.49 3iaf s SER 151 N -6.02 6.51 0.06 -0.43 0.01 -1.01 -4.67 113.70 108.15 3iaf s SER 151 Ca 0.06 1.55 -0.31 0.00 1.31 0.00 0.00 55.95 58.56 3iaf s SER 151 Cb 0.06 -2.50 -0.06 0.00 0.21 0.00 0.00 66.02 63.73 3iaf s SER 151 CO 0.69 -0.67 1.21 0.00 0.41 0.00 0.00 173.24 174.89 3iaf s ALA 152 N -2.73 3.40 0.21 1.44 0.00 -1.26 -1.95 121.76 120.88 3iaf s ALA 152 Ca 0.58 0.86 -0.28 0.00 0.00 0.00 0.00 51.96 53.12 3iaf s ALA 152 Cb -0.10 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 3iaf s ALA 152 CO 0.36 -0.45 0.88 -1.25 0.00 0.00 0.00 175.76 175.30 3iaf s PRO 153 N 1.08 4.75 0.55 0.00 0.04 -1.26 -4.88 135.00 135.29 3iaf s PRO 153 Ca 0.59 1.37 -0.20 0.00 0.04 0.00 0.00 61.00 62.80 3iaf s PRO 153 Cb -0.30 -3.27 -0.06 0.00 0.04 0.00 0.00 34.50 30.91 3iaf s PRO 153 CO 0.29 0.53 1.09 0.54 0.04 0.00 0.00 177.00 179.50 3iaf n ARG 154 N 1.55 1.22 -3.78 4.56 3.00 -0.82 -4.99 116.66 117.40 3iaf n ARG 154 Ca -0.03 0.46 -0.03 0.00 -0.01 0.00 0.00 57.85 58.23 3iaf n ARG 154 Cb 0.48 -2.27 -0.00 0.00 0.00 0.00 0.00 32.46 30.66 3iaf n ARG 154 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3iaf s GLY 155 N -1.06 -0.15 0.36 -0.13 0.00 -1.06 -3.52 107.32 101.77 3iaf s GLY 155 Ca 0.72 0.05 -0.17 0.00 0.00 0.00 0.00 44.72 45.32 3iaf s GLY 155 CO 0.49 0.70 0.81 2.56 0.00 0.00 0.00 173.10 177.66 3iaf s PRO 156 N -2.87 4.08 -0.05 2.90 0.04 -1.21 -3.72 135.00 134.18 3iaf s PRO 156 Ca 0.15 0.83 0.01 0.00 0.04 0.00 0.00 61.00 62.03 3iaf s PRO 156 Cb -0.01 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.21 3iaf s PRO 156 CO 0.03 0.09 -0.05 0.08 0.04 0.00 0.00 177.00 177.18 3iaf s VAL 157 N -2.06 0.59 -0.22 -0.36 1.01 -0.67 -1.23 120.40 117.45 3iaf s VAL 157 Ca 0.57 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.30 3iaf s VAL 157 Cb -0.10 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 3iaf s VAL 157 CO 0.16 0.24 0.22 -0.22 0.00 0.00 0.00 175.10 175.50 3iaf s LEU 158 N 1.00 4.14 -0.27 3.92 2.96 -0.40 -0.49 118.68 129.54 3iaf s LEU 158 Ca -0.10 0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 3iaf s LEU 158 Cb -0.14 -2.21 0.05 0.00 0.50 0.00 0.00 46.19 44.39 3iaf s LEU 158 CO -0.00 0.05 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.78 3iaf s LEU 159 N 1.01 3.53 -0.18 -0.68 1.98 -0.01 -2.37 118.68 121.96 3iaf s LEU 159 Ca 0.11 -1.29 -0.18 0.00 -2.89 0.00 0.00 54.13 49.88 3iaf s LEU 159 Cb -0.13 -1.61 -0.04 0.00 0.66 0.00 0.00 46.19 45.07 3iaf s LEU 159 CO 0.05 -0.20 0.49 -0.62 -1.89 0.00 0.00 176.35 174.18 3iaf s ASP 160 N 1.18 6.57 -0.42 3.68 -1.08 -0.17 -2.33 116.67 124.09 3iaf s ASP 160 Ca -0.06 0.68 0.03 0.00 -0.52 0.00 0.00 52.55 52.67 3iaf s ASP 160 Cb -0.19 -2.28 0.12 0.00 -1.46 0.00 0.00 42.92 39.10 3iaf s ASP 160 CO -0.04 -0.13 0.17 -0.76 0.52 0.00 0.00 175.17 174.94 3iaf s LEU 161 N 1.38 3.76 0.21 -1.34 1.43 0.29 -1.15 118.68 123.26 3iaf s LEU 161 Ca 0.24 -2.49 -0.32 0.00 -1.03 0.00 0.00 54.13 50.53 3iaf s LEU 161 Cb -0.15 -1.38 -0.13 0.00 0.03 0.00 0.00 46.19 44.55 3iaf s LEU 161 CO 0.09 -0.31 1.55 -2.65 0.23 0.00 0.00 176.35 175.27 3iaf n PRO 162 N 3.78 2.30 -0.33 1.29 -0.02 -1.26 -2.76 135.00 137.99 3iaf n PRO 162 Ca 0.05 0.82 0.18 0.00 -2.02 0.00 0.00 63.50 62.53 3iaf n PRO 162 Cb 0.37 -2.57 0.38 0.00 -0.02 0.00 0.00 33.50 31.65 3iaf n PRO 162 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3iaf h TRP 163 N 5.35 0.81 -0.26 6.00 7.01 -0.90 -0.16 115.95 133.79 3iaf h TRP 163 Ca -0.45 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 60.54 3iaf h TRP 163 Cb 1.25 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 28.10 3iaf h TRP 163 CO 0.60 -0.07 -0.05 0.38 -2.79 0.00 0.00 178.44 176.51 3iaf h ASP 164 N 0.41 0.50 -0.75 2.65 2.03 -1.89 -2.48 116.42 116.88 3iaf h ASP 164 Ca 0.64 -0.35 0.03 0.00 -0.73 0.00 0.00 57.03 56.62 3iaf h ASP 164 Cb 1.30 -0.14 -0.05 0.00 -0.83 0.00 0.00 39.33 39.62 3iaf h ASP 164 CO -0.55 0.74 0.47 0.40 -1.03 0.00 0.00 179.24 179.27 3iaf h ILE 165 N 0.26 1.10 0.00 4.15 1.08 -1.43 -1.74 117.51 120.93 3iaf h ILE 165 Ca 0.07 -0.32 -0.04 0.00 -0.39 0.00 0.00 64.86 64.18 3iaf h ILE 165 Cb 0.51 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 3iaf h ILE 165 CO 0.02 0.17 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.39 3iaf h LEU 166 N 0.92 0.00 0.01 1.44 3.38 -1.26 -3.28 115.31 116.52 3iaf h LEU 166 Ca 0.30 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.99 3iaf h LEU 166 Cb 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3iaf h LEU 166 CO -0.12 0.19 -1.63 0.24 0.09 0.00 0.00 178.44 177.21 3iaf h MET 167 N 0.00 0.03 -6.69 1.13 2.86 -0.86 -0.97 114.93 110.42 3iaf h MET 167 Ca -0.00 -0.04 -0.57 0.00 -2.06 0.00 0.00 59.70 57.02 3iaf h MET 167 Cb 0.36 0.02 0.10 0.00 0.06 0.00 0.00 31.60 32.14 3iaf h MET 167 CO 0.02 0.62 0.57 0.09 1.06 0.00 0.00 176.91 179.27 3iaf n ASN 168 N -3.12 2.82 -4.76 1.22 3.02 -0.78 -4.46 115.26 109.20 3iaf n ASN 168 Ca -0.16 1.18 -0.36 0.00 -0.03 0.00 0.00 54.58 55.22 3iaf n ASN 168 Cb 1.04 -1.47 -0.08 0.00 -0.61 0.00 0.00 39.78 38.66 3iaf n ASN 168 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3iaf s GLN 169 N -1.29 3.93 0.30 3.52 -0.21 -1.26 -1.73 119.66 122.91 3iaf s GLN 169 Ca 0.60 -0.21 0.05 0.00 0.02 0.00 0.00 55.36 55.82 3iaf s GLN 169 Cb -0.59 -3.32 -0.06 0.00 1.00 0.00 0.00 33.01 30.04 3iaf s GLN 169 CO 0.57 0.44 -0.01 0.96 -2.12 0.00 0.00 175.29 175.13 3iaf s ILE 170 N -0.06 1.47 -0.06 1.08 -4.36 -1.10 -4.89 121.20 113.28 3iaf s ILE 170 Ca 0.10 -2.07 -0.30 0.00 -0.26 0.00 0.00 60.65 58.12 3iaf s ILE 170 Cb -0.11 -2.59 -0.04 0.00 1.25 0.00 0.00 42.46 40.96 3iaf s ILE 170 CO -0.00 -0.18 1.35 -0.62 0.24 0.00 0.00 174.94 175.73 3iaf s ASP 171 N -3.46 6.90 0.29 4.36 3.68 -1.19 -2.75 116.67 124.50 3iaf s ASP 171 Ca 0.32 1.96 0.02 0.00 2.13 0.00 0.00 52.55 56.99 3iaf s ASP 171 Cb 0.06 -2.55 0.71 0.00 -1.45 0.00 0.00 42.92 39.69 3iaf s ASP 171 CO 0.13 -0.72 1.66 -0.33 0.13 0.00 0.00 175.17 176.04 3iaf h GLU 172 N 8.03 0.26 -1.20 4.34 5.08 -1.46 -2.32 114.58 127.32 3iaf h GLU 172 Ca -0.34 -0.02 -0.44 0.00 -1.00 0.00 0.00 59.36 57.56 3iaf h GLU 172 Cb 1.16 -0.06 -0.21 0.00 0.50 0.00 0.00 28.75 30.14 3iaf h GLU 172 CO 0.92 0.17 0.57 -0.25 -1.00 0.00 0.00 179.01 179.42 3iaf n ASP 173 N -5.16 5.82 0.00 1.42 10.43 -1.26 -3.66 116.55 124.13 3iaf n ASP 173 Ca 0.21 -3.29 0.00 0.00 2.57 0.00 0.00 54.79 54.28 3iaf n ASP 173 Cb 0.67 -0.93 0.00 0.00 1.84 0.00 0.00 41.12 42.70 3iaf n ASP 173 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3iaf n SER 174 N -0.36 0.95 -4.20 -2.24 3.41 -0.87 -5.04 113.62 105.27 3iaf n SER 174 Ca 0.44 -0.19 -0.30 0.00 -0.26 0.00 0.00 58.87 58.55 3iaf n SER 174 Cb 0.86 0.58 -0.16 0.00 -0.26 0.00 0.00 64.21 65.22 3iaf n SER 174 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3iaf s VAL 175 N -0.77 1.82 -0.19 -3.33 0.11 -1.24 -5.09 120.40 111.71 3iaf s VAL 175 Ca 0.00 -0.92 -0.21 0.00 -2.93 0.00 0.00 61.98 57.92 3iaf s VAL 175 Cb 0.00 -1.56 -0.03 0.00 -1.53 0.00 0.00 36.38 33.26 3iaf s VAL 175 CO 0.00 0.51 0.62 -0.51 -3.33 0.00 0.00 175.10 172.39 3iaf s ILE 176 N 0.07 5.03 -0.44 7.04 1.10 -1.26 -5.00 121.20 127.73 3iaf s ILE 176 Ca -0.08 1.17 -0.21 0.00 -0.51 0.00 0.00 60.65 61.02 3iaf s ILE 176 Cb -0.14 -3.94 0.02 0.00 0.15 0.00 0.00 42.46 38.55 3iaf s ILE 176 CO 0.05 0.12 0.66 -0.63 -2.11 0.00 0.00 174.94 173.02 3iaf s ILE 177 N 1.85 4.81 0.57 2.00 1.01 -1.26 -4.72 121.20 125.46 3iaf s ILE 177 Ca 0.28 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.90 3iaf s ILE 177 Cb -0.16 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 3iaf s ILE 177 CO 0.10 -0.62 1.04 -2.84 0.00 0.00 0.00 174.94 172.63 3iaf s PRO 178 N 2.87 3.49 0.34 2.79 0.02 -1.26 -5.05 135.00 138.19 3iaf s PRO 178 Ca 0.23 1.19 -0.15 0.00 0.02 0.00 0.00 61.00 62.29 3iaf s PRO 178 Cb -0.14 -2.06 -0.09 0.00 0.02 0.00 0.00 34.50 32.23 3iaf s PRO 178 CO 0.19 -0.67 0.76 -0.51 -0.33 0.00 0.00 177.00 176.44 3iaf s ASP 179 N -2.72 6.76 -0.74 2.53 -0.00 -1.26 -4.90 116.67 116.33 3iaf s ASP 179 Ca 0.63 1.30 -0.26 0.00 -0.00 0.00 0.00 52.55 54.23 3iaf s ASP 179 Cb -0.15 -2.38 -0.05 0.00 -0.00 0.00 0.00 42.92 40.33 3iaf s ASP 179 CO 0.34 -0.24 2.03 -0.22 -0.00 0.00 0.00 175.17 177.08 3iaf s LEU 180 N -3.09 3.19 -1.05 1.23 2.96 -1.25 -4.88 118.68 115.80 3iaf s LEU 180 Ca 0.55 -0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 54.30 3iaf s LEU 180 Cb -0.10 -2.54 0.25 0.00 0.50 0.00 0.00 46.19 44.30 3iaf s LEU 180 CO 0.18 -2.80 1.05 -0.69 -1.32 0.00 0.00 176.35 172.78 3iaf s VAL 181 N 10.65 5.83 -0.13 1.68 1.01 -1.26 -4.94 120.40 133.23 3iaf s VAL 181 Ca 0.75 -3.11 -0.05 0.00 0.00 0.00 0.00 61.98 59.58 3iaf s VAL 181 Cb -0.11 -4.60 0.06 0.00 0.00 0.00 0.00 36.38 31.74 3iaf s VAL 181 CO 0.11 -1.18 0.26 -0.22 0.00 0.00 0.00 175.10 174.06 3iaf s LEU 182 N -0.65 -0.27 0.18 3.92 2.96 -1.26 -5.13 118.68 118.42 3iaf s LEU 182 Ca 0.28 0.59 -0.33 0.00 -0.22 0.00 0.00 54.13 54.46 3iaf s LEU 182 Cb -0.09 0.70 -0.14 0.00 0.50 0.00 0.00 46.19 47.16 3iaf s LEU 182 CO -0.08 -0.24 1.47 -0.24 -1.32 0.00 0.00 176.35 175.95 3iaf n SER 183 N 5.30 2.75 0.24 3.68 2.88 -1.26 -4.88 113.62 122.33 3iaf n SER 183 Ca -0.07 1.11 0.13 0.00 -1.33 0.00 0.00 58.87 58.71 3iaf n SER 183 Cb 0.50 -1.39 0.44 0.00 -0.75 0.00 0.00 64.21 63.00 3iaf n SER 183 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3iaf h ALA 184 N 5.05 0.98 -2.72 -1.46 0.00 -2.00 -3.44 119.26 115.68 3iaf h ALA 184 Ca -0.45 -0.07 -0.50 0.00 0.00 0.00 0.00 54.91 53.89 3iaf h ALA 184 Cb 1.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3iaf h ALA 184 CO 0.82 0.09 0.41 -1.01 0.00 0.00 0.00 179.25 179.56 3iaf s HIS 185 N -3.47 3.79 0.33 0.00 3.76 -1.26 -5.05 115.29 113.38 3iaf s HIS 185 Ca 0.03 1.79 0.01 0.00 -0.15 0.00 0.00 55.06 56.74 3iaf s HIS 185 Cb 0.08 -3.12 -0.03 0.00 1.11 0.00 0.00 32.58 30.61 3iaf s HIS 185 CO 0.61 -0.02 0.52 0.20 -0.85 0.00 0.00 174.74 175.20 3iaf s GLY 186 N -0.71 1.34 0.42 -2.22 0.00 -1.26 -5.05 107.32 99.83 3iaf s GLY 186 Ca 0.44 -0.94 -0.25 0.00 0.00 0.00 0.00 44.72 43.97 3iaf s GLY 186 CO 0.34 -0.89 1.23 0.00 0.00 0.00 0.00 173.10 173.78 3iaf s ALA 187 N -2.26 3.15 0.26 3.20 0.00 -1.26 -4.55 121.76 120.31 3iaf s ALA 187 Ca 0.39 1.09 0.12 0.00 0.00 0.00 0.00 51.96 53.56 3iaf s ALA 187 Cb -0.10 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 3iaf s ALA 187 CO 0.35 -0.71 -0.21 -0.98 0.00 0.00 0.00 175.76 174.22 3iaf s ARG 188 N -2.35 1.64 0.90 0.00 1.70 -1.26 -1.09 118.95 118.49 3iaf s ARG 188 Ca 0.58 -1.71 -0.11 0.00 -0.47 0.00 0.00 55.73 54.02 3iaf s ARG 188 Cb -0.34 -1.77 0.13 0.00 -0.57 0.00 0.00 34.95 32.40 3iaf s ARG 188 CO 0.43 0.34 1.13 -2.30 -1.08 0.00 0.00 175.30 173.82 3iaf n PRO 189 N -0.43 -0.32 -2.23 3.89 -0.02 -1.26 -4.98 135.00 129.65 3iaf n PRO 189 Ca -0.07 -0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 60.98 3iaf n PRO 189 Cb 0.59 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 3iaf n PRO 189 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3iaf s ASP 190 N -2.50 6.93 0.28 2.55 2.15 -1.26 -4.84 116.67 119.97 3iaf s ASP 190 Ca 0.68 2.51 -0.08 0.00 0.43 0.00 0.00 52.55 56.09 3iaf s ASP 190 Cb -0.24 -2.63 0.45 0.00 -0.30 0.00 0.00 42.92 40.19 3iaf s ASP 190 CO 0.57 -0.43 1.54 -2.65 -0.17 0.00 0.00 175.17 174.03 3iaf n PRO 191 N 1.36 -0.09 -0.32 4.34 -0.02 -1.26 -0.97 135.00 138.03 3iaf n PRO 191 Ca 0.01 1.54 0.02 0.00 -2.02 0.00 0.00 63.50 63.06 3iaf n PRO 191 Cb 0.43 -2.30 0.20 0.00 -0.02 0.00 0.00 33.50 31.81 3iaf n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iaf h ALA 192 N 1.96 1.44 -0.16 3.55 0.00 -1.98 0.69 119.26 124.76 3iaf h ALA 192 Ca 0.47 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 55.12 3iaf h ALA 192 Cb 0.72 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.21 3iaf h ALA 192 CO -1.02 0.45 -0.77 -0.44 0.00 0.00 0.00 179.25 177.48 3iaf h ASP 193 N 1.13 0.94 -0.54 0.00 3.45 -1.45 -0.69 116.42 119.25 3iaf h ASP 193 Ca 0.38 -0.61 -0.07 0.00 0.43 0.00 0.00 57.03 57.16 3iaf h ASP 193 Cb 0.09 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.56 3iaf h ASP 193 CO -0.13 1.41 0.08 0.25 -1.57 0.00 0.00 179.24 179.28 3iaf h LEU 194 N 0.55 0.91 -0.45 1.55 5.85 -0.30 -0.82 115.31 122.60 3iaf h LEU 194 Ca -0.05 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 3iaf h LEU 194 Cb 1.39 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3iaf h LEU 194 CO 0.16 0.92 0.16 0.44 -0.34 0.00 0.00 178.44 179.78 3iaf h ASP 195 N 0.89 0.64 -0.70 1.25 3.32 0.41 -1.66 116.42 120.57 3iaf h ASP 195 Ca 0.18 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3iaf h ASP 195 Cb 0.41 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3iaf h ASP 195 CO 0.01 0.65 0.17 -0.61 -1.72 0.00 0.00 179.24 177.74 3iaf h GLN 196 N 0.59 1.12 -0.39 3.56 4.15 -0.85 0.30 115.11 123.59 3iaf h GLN 196 Ca 0.15 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.30 3iaf h GLN 196 Cb 0.22 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3iaf h GLN 196 CO -0.01 0.99 0.26 0.00 -1.93 0.00 0.00 178.83 178.14 3iaf h ALA 197 N 1.08 0.49 -0.38 3.38 0.00 -1.05 -1.00 119.26 121.78 3iaf h ALA 197 Ca 0.22 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3iaf h ALA 197 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3iaf h ALA 197 CO 0.00 -0.05 -0.30 -0.07 0.00 0.00 0.00 179.25 178.83 3iaf h LEU 198 N 0.52 0.85 -0.95 0.00 3.38 -0.96 -1.50 115.31 116.67 3iaf h LEU 198 Ca 0.14 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3iaf h LEU 198 Cb -0.06 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 3iaf h LEU 198 CO -0.03 1.09 0.59 0.00 0.09 0.00 0.00 178.44 180.18 3iaf h ALA 199 N 0.96 1.20 -0.34 1.53 0.00 -0.13 -1.89 119.26 120.59 3iaf h ALA 199 Ca 0.08 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 3iaf h ALA 199 Cb 0.84 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3iaf h ALA 199 CO 0.07 0.64 -0.45 -0.07 0.00 0.00 0.00 179.25 179.45 3iaf h LEU 200 N 1.30 0.98 -2.40 0.00 3.38 -1.07 -2.99 115.31 114.52 3iaf h LEU 200 Ca 0.34 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3iaf h LEU 200 Cb -0.08 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.39 3iaf h LEU 200 CO -0.07 1.28 -0.03 0.25 0.09 0.00 0.00 178.44 179.95 3iaf h LEU 201 N 0.72 0.00 0.01 1.67 5.85 -0.70 -2.91 115.31 119.95 3iaf h LEU 201 Ca 0.04 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3iaf h LEU 201 Cb 1.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 3iaf h LEU 201 CO 0.11 0.03 -0.19 0.03 -0.34 0.00 0.00 178.44 178.08 3iaf h ARG 202 N 0.00 0.03 0.00 1.25 3.08 -1.22 -3.33 114.38 114.19 3iaf h ARG 202 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3iaf h ARG 202 Cb 0.13 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3iaf h ARG 202 CO 0.00 1.02 0.00 0.36 -1.07 0.00 0.00 179.97 180.29 3iaf n LYS 203 N -4.55 0.40 -2.87 0.04 2.85 -1.13 -4.78 118.16 108.12 3iaf n LYS 203 Ca -0.12 0.06 -0.41 0.00 -1.05 0.00 0.00 58.31 56.78 3iaf n LYS 203 Cb 0.53 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.37 3iaf n LYS 203 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3iaf s ALA 204 N -2.25 3.32 -0.22 0.58 0.00 -1.11 -4.95 121.76 117.13 3iaf s ALA 204 Ca 0.21 0.27 0.17 0.00 0.00 0.00 0.00 51.96 52.61 3iaf s ALA 204 Cb 0.11 -3.18 0.11 0.00 0.00 0.00 0.00 23.12 20.16 3iaf s ALA 204 CO 0.22 -0.30 1.44 0.93 0.00 0.00 0.00 175.76 178.05 3iaf h GLU 205 N 6.92 0.00 -1.61 0.00 5.08 -1.92 -3.39 114.58 119.66 3iaf h GLU 205 Ca -0.38 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.52 3iaf h GLU 205 Cb 1.19 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.09 3iaf h GLU 205 CO 0.78 0.38 -1.03 0.54 -1.00 0.00 0.00 179.01 178.68 3iaf n ARG 206 N -3.17 0.87 -2.04 2.33 1.74 -1.26 -4.97 116.66 110.16 3iaf n ARG 206 Ca 0.02 -3.03 -0.32 0.00 -0.77 0.00 0.00 57.85 53.75 3iaf n ARG 206 Cb 0.69 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 3iaf n ARG 206 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3iaf s PRO 207 N -1.45 3.49 -0.07 5.56 0.04 -1.26 -1.25 135.00 140.05 3iaf s PRO 207 Ca 0.36 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 3iaf s PRO 207 Cb 0.27 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.77 3iaf s PRO 207 CO -0.10 -0.66 0.27 0.08 0.04 0.00 0.00 177.00 176.63 3iaf s VAL 208 N -2.73 0.02 -0.08 -0.36 1.01 -0.75 -4.28 120.40 113.24 3iaf s VAL 208 Ca 0.60 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.39 3iaf s VAL 208 Cb -0.13 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 3iaf s VAL 208 CO 0.41 -0.11 -0.10 -0.63 0.00 0.00 0.00 175.10 174.68 3iaf s ILE 209 N -0.40 3.45 -0.16 2.22 1.01 -0.83 -1.16 121.20 125.33 3iaf s ILE 209 Ca -0.05 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.04 3iaf s ILE 209 Cb -0.03 -2.41 0.02 0.00 0.01 0.00 0.00 42.46 40.05 3iaf s ILE 209 CO 0.01 0.58 -0.15 -0.69 0.00 0.00 0.00 174.94 174.69 3iaf s VAL 210 N -0.52 1.65 0.04 2.92 1.01 -0.59 0.12 120.40 125.01 3iaf s VAL 210 Ca 0.07 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 3iaf s VAL 210 Cb -0.12 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 3iaf s VAL 210 CO 0.02 0.46 0.30 -0.76 0.00 0.00 0.00 175.10 175.11 3iaf s LEU 211 N 1.45 4.36 0.00 3.92 1.43 -0.07 -1.15 118.68 128.62 3iaf s LEU 211 Ca 0.05 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 3iaf s LEU 211 Cb -0.13 -2.80 -0.00 0.00 0.03 0.00 0.00 46.19 43.29 3iaf s LEU 211 CO -0.11 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.30 3iaf n GLY 212 N 0.94 4.12 0.36 -3.19 0.00 -0.17 -2.18 105.19 105.07 3iaf n GLY 212 Ca -0.09 -2.14 0.12 0.00 0.00 0.00 0.00 46.02 43.90 3iaf n GLY 212 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iaf h SER 213 N 0.10 0.50 0.72 1.61 4.64 -1.84 -1.80 113.55 117.48 3iaf h SER 213 Ca -0.03 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 3iaf h SER 213 Cb 0.10 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3iaf h SER 213 CO 0.05 0.29 -0.13 -0.33 -0.87 0.00 0.00 176.83 175.84 3iaf h GLU 214 N 0.55 0.00 -0.45 4.77 4.39 -1.88 -2.40 114.58 119.57 3iaf h GLU 214 Ca 0.34 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.93 3iaf h GLU 214 Cb 0.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3iaf h GLU 214 CO -0.12 0.13 -0.17 0.00 -1.16 0.00 0.00 179.01 177.68 3iaf h ALA 215 N 1.87 0.62 -0.35 3.43 0.00 -1.57 -3.03 119.26 120.24 3iaf h ALA 215 Ca -0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 3iaf h ALA 215 Cb 0.52 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3iaf h ALA 215 CO 0.02 0.57 -0.35 0.77 0.00 0.00 0.00 179.25 180.26 3iaf h SER 216 N 0.74 0.84 -0.44 0.00 0.02 -1.53 -2.46 113.55 110.73 3iaf h SER 216 Ca 0.11 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 3iaf h SER 216 Cb 0.74 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 3iaf h SER 216 CO 0.06 1.11 0.20 0.03 -1.14 0.00 0.00 176.83 177.09 3iaf h ARG 217 N 0.66 0.70 0.00 3.45 2.47 -1.42 -2.58 114.38 117.66 3iaf h ARG 217 Ca 0.06 -0.10 -0.23 0.00 -1.26 0.00 0.00 59.98 58.46 3iaf h ARG 217 Cb 0.90 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 29.06 3iaf h ARG 217 CO 0.08 0.57 -1.20 1.79 0.56 0.00 0.00 179.97 181.77 3iaf h THR 218 N 0.69 1.39 -6.19 2.04 1.35 -1.52 -3.46 112.91 107.21 3iaf h THR 218 Ca 0.17 -3.12 -0.44 0.00 -0.55 0.00 0.00 66.41 62.47 3iaf h THR 218 Cb 0.13 2.68 0.02 0.00 -1.73 0.00 0.00 68.15 69.25 3iaf h THR 218 CO -0.02 0.79 -0.81 0.00 -0.25 0.00 0.00 175.52 175.23 3iaf n ALA 219 N -2.41 -1.78 -2.22 6.62 0.00 -0.93 -4.89 120.51 114.90 3iaf n ALA 219 Ca -0.05 -0.06 -0.41 0.00 0.00 0.00 0.00 53.44 52.92 3iaf n ALA 219 Cb 0.96 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3iaf n ALA 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iaf n ARG 220 N -4.42 4.47 0.05 0.00 5.12 -1.26 -4.77 116.66 115.84 3iaf n ARG 220 Ca -0.19 -3.70 -0.13 0.00 -1.93 0.00 0.00 57.85 51.90 3iaf n ARG 220 Cb 0.63 -2.67 -0.09 0.00 -1.16 0.00 0.00 32.46 29.17 3iaf n ARG 220 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3iaf h LYS 221 N 4.88 -0.10 -0.63 5.56 1.57 -1.93 -1.02 116.57 124.90 3iaf h LYS 221 Ca 0.58 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 59.29 3iaf h LYS 221 Cb 0.40 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3iaf h LYS 221 CO 1.47 0.20 0.09 1.79 -0.57 0.00 0.00 179.45 182.43 3iaf h THR 222 N -0.40 1.26 -0.44 -0.16 1.35 -1.99 -0.85 112.91 111.68 3iaf h THR 222 Ca -0.01 -1.01 -0.08 0.00 -0.55 0.00 0.00 66.41 64.75 3iaf h THR 222 Cb 0.34 0.67 -0.02 0.00 -1.73 0.00 0.00 68.15 67.42 3iaf h THR 222 CO 0.02 0.38 -0.06 0.00 -0.25 0.00 0.00 175.52 175.60 3iaf h ALA 223 N 1.13 1.07 -0.06 6.62 0.00 -1.92 -2.31 119.26 123.79 3iaf h ALA 223 Ca 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3iaf h ALA 223 Cb 0.43 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3iaf h ALA 223 CO 0.01 0.58 0.02 1.25 0.00 0.00 0.00 179.25 181.11 3iaf h LEU 224 N 0.70 0.09 -0.61 0.00 5.85 -0.50 -2.05 115.31 118.78 3iaf h LEU 224 Ca 0.13 -0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.76 3iaf h LEU 224 Cb 0.52 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.45 3iaf h LEU 224 CO 0.03 0.25 0.21 0.28 -0.34 0.00 0.00 178.44 178.87 3iaf h SER 225 N -0.07 0.17 -0.38 1.25 0.02 -1.11 -0.42 113.55 113.01 3iaf h SER 225 Ca 0.02 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3iaf h SER 225 Cb 0.19 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 3iaf h SER 225 CO -0.00 0.10 0.19 0.00 -1.14 0.00 0.00 176.83 175.98 3iaf h ALA 226 N 1.44 0.47 -0.55 3.77 0.00 -1.28 0.15 119.26 123.26 3iaf h ALA 226 Ca 0.31 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 3iaf h ALA 226 Cb 0.41 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3iaf h ALA 226 CO -0.33 -0.18 -0.03 0.35 0.00 0.00 0.00 179.25 179.06 3iaf h PHE 227 N 0.39 1.10 -0.16 0.00 3.04 -0.86 -1.65 116.94 118.80 3iaf h PHE 227 Ca 0.16 -0.20 -0.05 0.00 3.98 0.00 0.00 57.97 61.86 3iaf h PHE 227 Cb 0.07 -0.28 -0.00 0.00 2.56 0.00 0.00 35.95 38.30 3iaf h PHE 227 CO -0.10 1.00 -0.09 0.28 -2.02 0.00 0.00 178.31 177.38 3iaf h VAL 228 N 0.88 1.31 -0.76 1.41 2.07 -0.85 -2.91 116.25 117.41 3iaf h VAL 228 Ca 0.15 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 3iaf h VAL 228 Cb 0.58 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 3iaf h VAL 228 CO 0.03 0.34 0.36 0.00 0.02 0.00 0.00 177.57 178.32 3iaf h ALA 229 N 0.67 0.99 0.00 1.67 0.00 -0.65 0.48 119.26 122.42 3iaf h ALA 229 Ca 0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3iaf h ALA 229 Cb 0.57 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3iaf h ALA 229 CO 0.03 0.56 -0.14 0.00 0.00 0.00 0.00 179.25 179.69 3iaf h ALA 230 N 1.18 1.01 0.00 0.00 0.00 -1.33 -3.32 119.26 116.79 3iaf h ALA 230 Ca 0.26 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3iaf h ALA 230 Cb 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3iaf h ALA 230 CO -0.03 0.17 -1.55 0.25 0.00 0.00 0.00 179.25 178.09 3iaf n THR 231 N -3.27 0.46 -1.54 0.00 -2.24 -1.05 -4.63 114.28 102.02 3iaf n THR 231 Ca 0.01 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 3iaf n THR 231 Cb 0.40 -0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 68.04 3iaf n THR 231 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iaf n GLY 232 N 2.37 0.90 3.64 3.38 0.00 0.16 -4.81 105.19 110.84 3iaf n GLY 232 Ca -0.11 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 3iaf n GLY 232 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iaf s VAL 233 N -2.44 5.01 0.48 1.61 1.01 -1.25 -4.79 120.40 120.03 3iaf s VAL 233 Ca 0.00 1.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.84 3iaf s VAL 233 Cb 0.00 -3.92 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 3iaf s VAL 233 CO 0.00 0.07 1.41 -0.81 0.00 0.00 0.00 175.10 175.77 3iaf n PRO 234 N 5.43 2.07 -5.08 2.72 -0.04 -1.26 -4.79 135.00 134.05 3iaf n PRO 234 Ca -0.02 0.74 -0.32 0.00 -0.04 0.00 0.00 63.50 63.87 3iaf n PRO 234 Cb 0.49 -2.61 -0.15 0.00 -0.04 0.00 0.00 33.50 31.19 3iaf n PRO 234 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3iaf s VAL 235 N -1.22 2.51 0.42 0.52 1.01 0.57 -1.96 120.40 122.25 3iaf s VAL 235 Ca 0.65 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.78 3iaf s VAL 235 Cb -0.44 -1.96 -0.07 0.00 0.00 0.00 0.00 36.38 33.91 3iaf s VAL 235 CO 0.55 0.57 0.01 -0.36 0.00 0.00 0.00 175.10 175.87 3iaf s PHE 236 N -0.29 2.40 0.11 5.22 0.08 0.31 -0.27 117.98 125.55 3iaf s PHE 236 Ca 0.01 -0.73 -0.22 0.00 0.12 0.00 0.00 56.93 56.11 3iaf s PHE 236 Cb -0.13 -1.73 0.06 0.00 -0.57 0.00 0.00 43.02 40.65 3iaf s PHE 236 CO 0.03 0.39 0.54 0.00 -0.10 0.00 0.00 175.22 176.08 3iaf s ALA 237 N -2.77 -1.40 0.90 5.36 0.00 -0.69 -0.89 121.76 122.27 3iaf s ALA 237 Ca 0.31 0.46 -0.13 0.00 0.00 0.00 0.00 51.96 52.61 3iaf s ALA 237 Cb 0.09 0.66 0.17 0.00 0.00 0.00 0.00 23.12 24.04 3iaf s ALA 237 CO 0.16 -0.65 1.24 0.16 0.00 0.00 0.00 175.76 176.67 3iaf s ASP 238 N -2.46 3.51 0.26 0.00 3.84 -0.93 -0.20 116.67 120.69 3iaf s ASP 238 Ca -0.01 0.21 -0.03 0.00 -0.00 0.00 0.00 52.55 52.72 3iaf s ASP 238 Cb -0.00 -0.37 0.53 0.00 -1.38 0.00 0.00 42.92 41.70 3iaf s ASP 238 CO -0.08 -2.47 1.68 1.88 -0.00 0.00 0.00 175.17 176.17 3iaf h TYR 239 N -1.36 0.31 0.00 2.11 0.05 -1.94 -0.40 116.97 115.74 3iaf h TYR 239 Ca -0.43 0.04 -0.06 0.00 0.05 0.00 0.00 58.73 58.33 3iaf h TYR 239 Cb 1.25 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.97 3iaf h TYR 239 CO -0.81 -0.11 -0.29 1.49 -1.05 0.00 0.00 178.16 177.39 3iaf h GLU 240 N 0.26 0.00 -0.02 4.88 4.57 -1.93 -2.92 114.58 119.43 3iaf h GLU 240 Ca 0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.63 3iaf h GLU 240 Cb 0.81 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 3iaf h GLU 240 CO -0.55 0.29 -0.21 0.41 -1.18 0.00 0.00 179.01 177.77 3iaf n GLY 241 N 0.40 0.00 0.05 1.92 0.00 -0.26 -4.59 105.19 102.72 3iaf n GLY 241 Ca 0.01 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 3iaf n GLY 241 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3iaf h LEU 242 N 2.45 0.02 -1.33 0.99 5.85 -1.07 -2.18 115.31 120.03 3iaf h LEU 242 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3iaf h LEU 242 Cb 0.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3iaf h LEU 242 CO 0.00 0.02 0.00 0.77 -0.34 0.00 0.00 178.44 178.89 3iaf h SER 243 N 0.04 0.00 0.85 1.25 4.64 -1.81 0.58 113.55 119.10 3iaf h SER 243 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3iaf h SER 243 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3iaf h SER 243 CO -0.02 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.17 3iaf n MET 244 N -2.34 0.14 0.00 4.77 2.81 -0.82 -2.66 117.12 119.02 3iaf n MET 244 Ca -0.00 0.29 0.14 0.00 -1.81 0.00 0.00 57.70 56.31 3iaf n MET 244 Cb 0.10 -1.72 0.50 0.00 -0.71 0.00 0.00 33.22 31.39 3iaf n MET 244 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3iaf n LEU 245 N -1.97 1.26 0.14 4.03 4.77 0.19 -4.50 117.00 120.92 3iaf n LEU 245 Ca 0.04 -0.39 0.13 0.00 -0.03 0.00 0.00 56.01 55.76 3iaf n LEU 245 Cb 0.27 -0.05 0.43 0.00 -2.33 0.00 0.00 43.42 41.74 3iaf n LEU 245 CO 0.21 0.22 0.88 0.28 -1.33 0.00 0.00 177.39 177.65 3iaf h SER 246 N 1.85 0.00 -0.36 -1.43 0.02 -1.65 -2.77 113.55 109.21 3iaf h SER 246 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3iaf h SER 246 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3iaf h SER 246 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 3iaf n GLY 247 N 0.77 3.21 3.88 -3.77 0.00 -1.26 -4.98 105.19 103.05 3iaf n GLY 247 Ca 0.04 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 3iaf n GLY 247 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iaf s LEU 248 N -1.75 4.31 0.34 0.99 1.43 -1.05 -4.92 118.68 118.04 3iaf s LEU 248 Ca 0.33 0.34 -0.24 0.00 -1.03 0.00 0.00 54.13 53.54 3iaf s LEU 248 Cb 0.22 -2.49 -0.16 0.00 0.03 0.00 0.00 46.19 43.80 3iaf s LEU 248 CO 0.15 0.29 0.31 -2.65 0.23 0.00 0.00 176.35 174.67 3iaf n PRO 249 N 1.13 0.11 -0.24 1.29 -0.02 -1.26 -4.87 135.00 131.14 3iaf n PRO 249 Ca -0.12 0.04 0.17 0.00 -2.02 0.00 0.00 63.50 61.57 3iaf n PRO 249 Cb 0.53 -1.09 0.49 0.00 -0.02 0.00 0.00 33.50 33.40 3iaf n PRO 249 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3iaf h ASP 250 N 0.64 0.45 0.10 2.55 -0.00 -1.97 -3.15 116.42 115.04 3iaf h ASP 250 Ca -0.35 0.04 0.00 0.00 -0.00 0.00 0.00 57.03 56.73 3iaf h ASP 250 Cb 1.44 -0.04 0.00 0.00 -0.00 0.00 0.00 39.33 40.72 3iaf h ASP 250 CO 0.51 0.19 -0.04 0.00 -0.00 0.00 0.00 179.24 179.91 3iaf n ALA 251 N -2.50 2.68 -0.07 4.15 0.00 -1.26 -3.83 120.51 119.68 3iaf n ALA 251 Ca 0.19 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3iaf n ALA 251 Cb 0.64 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3iaf n ALA 251 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3iaf n MET 252 N -0.56 3.21 -2.64 0.00 2.81 -1.19 -4.64 117.12 114.10 3iaf n MET 252 Ca 0.19 -0.16 -0.43 0.00 -1.81 0.00 0.00 57.70 55.49 3iaf n MET 252 Cb 0.25 -0.61 -0.02 0.00 -0.71 0.00 0.00 33.22 32.13 3iaf n MET 252 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3iaf s ARG 253 N -0.50 3.71 0.17 0.03 0.52 -1.24 0.21 118.95 121.84 3iaf s ARG 253 Ca 0.00 0.52 0.13 0.00 -0.52 0.00 0.00 55.73 55.87 3iaf s ARG 253 Cb 0.00 -3.90 -0.07 0.00 0.52 0.00 0.00 34.95 31.50 3iaf s ARG 253 CO 0.00 -1.34 1.20 0.78 0.02 0.00 0.00 175.30 175.96 3iaf h GLY 254 N 11.08 0.00 0.00 -3.53 0.00 -0.98 -3.44 103.07 106.20 3iaf h GLY 254 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3iaf h GLY 254 CO 1.11 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.26 3iaf n GLY 255 N 1.32 0.07 3.73 4.60 0.00 -1.24 -4.88 105.19 108.79 3iaf n GLY 255 Ca -0.03 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 3iaf n GLY 255 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iaf s LEU 256 N 0.00 4.43 0.54 0.99 1.43 -1.26 -1.70 118.68 123.11 3iaf s LEU 256 Ca 0.00 2.16 0.38 0.00 -1.03 0.00 0.00 54.13 55.64 3iaf s LEU 256 Cb 0.00 -3.60 1.57 0.00 0.03 0.00 0.00 46.19 44.19 3iaf s LEU 256 CO 0.00 -0.40 1.79 -0.37 0.23 0.00 0.00 176.35 177.60 3iaf h VAL 257 N 3.99 0.38 -0.97 -1.59 -1.51 -0.94 -0.19 116.25 115.42 3iaf h VAL 257 Ca -0.44 -0.00 0.26 0.00 -1.23 0.00 0.00 66.70 65.29 3iaf h VAL 257 Cb 1.21 0.38 -0.06 0.00 -2.13 0.00 0.00 31.29 30.69 3iaf h VAL 257 CO 0.77 0.00 0.67 0.06 -1.23 0.00 0.00 177.57 177.84 3iaf h GLN 258 N 0.00 0.19 -0.41 5.19 3.07 -1.83 0.21 115.11 121.52 3iaf h GLN 258 Ca 0.59 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 59.32 3iaf h GLN 258 Cb 2.37 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 29.89 3iaf h GLN 258 CO -0.01 0.12 0.00 0.27 0.09 0.00 0.00 178.83 179.30 3iaf n ASN 259 N -4.40 1.58 -0.05 0.06 0.23 -0.08 -2.73 115.26 109.88 3iaf n ASN 259 Ca 0.21 -2.08 0.15 0.00 -0.53 0.00 0.00 54.58 52.33 3iaf n ASN 259 Cb 0.92 -0.27 0.85 0.00 -2.08 0.00 0.00 39.78 39.20 3iaf n ASN 259 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3iaf n LEU 260 N 0.18 0.15 0.43 -4.53 4.77 0.75 -4.35 117.00 114.40 3iaf n LEU 260 Ca 0.08 -0.05 -0.17 0.00 -0.03 0.00 0.00 56.01 55.84 3iaf n LEU 260 Cb 0.29 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 3iaf n LEU 260 CO 0.07 0.03 0.50 0.22 -1.33 0.00 0.00 177.39 176.87 3iaf h TYR 261 N 0.23 -1.02 0.00 -1.77 3.20 -1.69 -3.19 116.97 112.73 3iaf h TYR 261 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3iaf h TYR 261 Cb 0.05 0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.66 3iaf h TYR 261 CO 0.00 -0.64 0.00 -1.13 -1.64 0.00 0.00 178.16 174.76 3iaf n SER 262 N -5.12 0.13 0.24 -2.11 3.41 -1.26 -3.24 113.62 105.66 3iaf n SER 262 Ca -0.14 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.13 3iaf n SER 262 Cb 0.43 -0.55 0.71 0.00 -0.26 0.00 0.00 64.21 64.54 3iaf n SER 262 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3iaf h PHE 263 N 0.00 0.00 0.05 7.33 0.04 -1.78 -2.02 116.94 120.56 3iaf h PHE 263 Ca 0.00 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.39 3iaf h PHE 263 Cb 0.37 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.47 3iaf h PHE 263 CO 0.00 0.00 -2.27 0.00 -0.60 0.00 0.00 178.31 175.44 3iaf n ALA 264 N -1.81 1.21 -0.18 2.45 0.00 -1.20 -1.14 120.51 119.84 3iaf n ALA 264 Ca -0.02 -0.89 0.27 0.00 0.00 0.00 0.00 53.44 52.80 3iaf n ALA 264 Cb 0.19 -0.35 0.70 0.00 0.00 0.00 0.00 19.45 19.98 3iaf n ALA 264 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3iaf h LYS 265 N 0.03 0.05 -6.52 0.00 1.57 -1.56 -3.37 116.57 106.76 3iaf h LYS 265 Ca -0.51 -0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.62 3iaf h LYS 265 Cb 1.97 -0.01 -0.15 0.00 0.08 0.00 0.00 32.23 34.11 3iaf h LYS 265 CO -0.01 0.03 -0.74 0.00 -0.57 0.00 0.00 179.45 178.16 3iaf s ALA 266 N -5.03 2.90 -1.41 3.86 0.00 -1.15 -5.02 121.76 115.92 3iaf s ALA 266 Ca -0.05 -1.39 -0.14 0.00 0.00 0.00 0.00 51.96 50.38 3iaf s ALA 266 Cb 0.22 -0.77 0.07 0.00 0.00 0.00 0.00 23.12 22.64 3iaf s ALA 266 CO 0.77 0.54 2.11 -0.25 0.00 0.00 0.00 175.76 178.93 3iaf n ASP 267 N 0.36 4.20 -0.16 0.00 10.43 -1.26 -4.15 116.55 125.97 3iaf n ASP 267 Ca -0.12 -2.89 0.01 0.00 2.57 0.00 0.00 54.79 54.35 3iaf n ASP 267 Cb 0.54 -1.64 0.02 0.00 1.84 0.00 0.00 41.12 41.88 3iaf n ASP 267 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3iaf n ALA 268 N 5.96 1.63 -1.77 2.24 0.00 -0.53 -5.06 120.51 122.98 3iaf n ALA 268 Ca 0.49 -1.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.50 3iaf n ALA 268 Cb 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 3iaf n ALA 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iaf s ALA 269 N -0.55 3.77 -0.40 0.00 0.00 -0.29 -4.82 121.76 119.47 3iaf s ALA 269 Ca 0.04 1.41 -0.45 0.00 0.00 0.00 0.00 51.96 52.96 3iaf s ALA 269 Cb 0.04 -3.73 -0.19 0.00 0.00 0.00 0.00 23.12 19.23 3iaf s ALA 269 CO 0.00 -1.14 1.59 -2.30 0.00 0.00 0.00 175.76 173.91 3iaf n PRO 270 N 5.37 0.27 -0.27 0.00 -0.02 -1.26 -4.87 135.00 134.22 3iaf n PRO 270 Ca 0.17 0.10 0.06 0.00 -2.02 0.00 0.00 63.50 61.81 3iaf n PRO 270 Cb 0.38 -1.64 0.20 0.00 -0.02 0.00 0.00 33.50 32.43 3iaf n PRO 270 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3iaf h ASP 271 N 5.33 0.35 -4.97 2.55 1.82 -1.50 -3.39 116.42 116.61 3iaf h ASP 271 Ca -0.45 0.11 -0.07 0.00 -0.39 0.00 0.00 57.03 56.23 3iaf h ASP 271 Cb 1.36 0.07 -0.19 0.00 0.68 0.00 0.00 39.33 41.25 3iaf h ASP 271 CO 0.95 0.13 0.13 -0.22 -1.61 0.00 0.00 179.24 178.62 3iaf s LEU 272 N -10.42 -0.46 -0.05 2.28 0.20 -1.24 -2.74 118.68 106.25 3iaf s LEU 272 Ca -0.12 0.65 -0.01 0.00 0.69 0.00 0.00 54.13 55.34 3iaf s LEU 272 Cb 0.21 2.37 0.03 0.00 -0.43 0.00 0.00 46.19 48.36 3iaf s LEU 272 CO 0.77 -0.58 0.01 0.54 -0.29 0.00 0.00 176.35 176.80 3iaf s VAL 273 N -1.17 0.19 -0.58 1.68 0.11 -0.31 -1.82 120.40 118.50 3iaf s VAL 273 Ca -0.11 0.17 -0.17 0.00 -2.93 0.00 0.00 61.98 58.93 3iaf s VAL 273 Cb -0.01 -0.34 0.12 0.00 -1.53 0.00 0.00 36.38 34.63 3iaf s VAL 273 CO 0.09 0.19 0.61 -0.22 -3.33 0.00 0.00 175.10 172.45 3iaf s LEU 274 N 1.57 5.82 -0.34 2.54 2.96 -0.31 -1.53 118.68 129.38 3iaf s LEU 274 Ca -0.02 -1.66 -0.25 0.00 -0.22 0.00 0.00 54.13 51.98 3iaf s LEU 274 Cb -0.13 -2.26 0.01 0.00 0.50 0.00 0.00 46.19 44.32 3iaf s LEU 274 CO -0.03 -0.97 0.88 -0.04 -1.32 0.00 0.00 176.35 174.86 3iaf s MET 275 N 2.08 3.88 -0.40 1.98 -1.94 0.79 -1.55 119.30 124.14 3iaf s MET 275 Ca 0.08 0.58 -0.03 0.00 -1.71 0.00 0.00 55.69 54.61 3iaf s MET 275 Cb -0.26 -3.78 0.10 0.00 2.01 0.00 0.00 34.83 32.91 3iaf s MET 275 CO 0.04 -0.85 0.19 -0.51 -0.01 0.00 0.00 175.02 173.89 3iaf s LEU 276 N 3.27 5.16 0.00 -0.03 1.43 -0.30 -0.62 118.68 127.59 3iaf s LEU 276 Ca 0.36 -1.96 0.00 0.00 -1.03 0.00 0.00 54.13 51.50 3iaf s LEU 276 Cb -0.13 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.26 3iaf s LEU 276 CO 0.16 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 176.82 3iaf n GLY 277 N 4.61 2.13 3.76 -3.19 0.00 -0.76 -1.00 105.19 110.75 3iaf n GLY 277 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3iaf n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iaf s ALA 278 N -2.14 3.46 0.03 4.61 0.00 -1.26 -4.01 121.76 122.45 3iaf s ALA 278 Ca 0.00 1.06 0.04 0.00 0.00 0.00 0.00 51.96 53.06 3iaf s ALA 278 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 3iaf s ALA 278 CO 0.00 -0.40 -0.05 1.03 0.00 0.00 0.00 175.76 176.34 3iaf s ARG 279 N -1.37 2.51 -0.03 0.00 0.52 -1.26 -4.94 118.95 114.39 3iaf s ARG 279 Ca 0.48 -0.78 -0.30 0.00 -0.52 0.00 0.00 55.73 54.61 3iaf s ARG 279 Cb -0.35 -2.49 -0.05 0.00 0.52 0.00 0.00 34.95 32.57 3iaf s ARG 279 CO 0.45 0.58 1.43 -0.06 0.02 0.00 0.00 175.30 177.72 3iaf s PHE 280 N -1.09 2.71 -0.60 -0.53 0.40 -1.26 -4.42 117.98 113.18 3iaf s PHE 280 Ca 0.19 0.73 0.00 0.00 -0.60 0.00 0.00 56.93 57.26 3iaf s PHE 280 Cb -0.11 -3.69 0.00 0.00 0.51 0.00 0.00 43.02 39.73 3iaf s PHE 280 CO 0.11 -2.61 0.00 0.41 0.70 0.00 0.00 175.22 173.83 3iaf n GLY 281 N 3.72 -0.43 0.34 4.36 0.00 -1.26 -4.87 105.19 107.05 3iaf n GLY 281 Ca 0.14 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 3iaf n GLY 281 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3iaf h LEU 282 N 0.00 -1.22 -1.21 0.99 5.85 -1.94 1.22 115.31 119.01 3iaf h LEU 282 Ca 0.00 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 3iaf h LEU 282 Cb 0.00 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3iaf h LEU 282 CO 0.00 -0.35 0.11 0.78 -0.34 0.00 0.00 178.44 178.64 3iaf h ASN 283 N -0.43 0.61 -0.65 1.25 2.35 -1.96 -2.97 115.58 113.78 3iaf h ASN 283 Ca 0.02 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3iaf h ASN 283 Cb 0.49 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3iaf h ASN 283 CO -0.29 0.60 0.00 0.35 -1.65 0.00 0.00 177.43 176.44 3iaf n THR 284 N -4.31 1.45 -1.29 2.81 -2.24 -1.12 -4.63 114.28 104.95 3iaf n THR 284 Ca 0.03 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 3iaf n THR 284 Cb 0.20 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3iaf n THR 284 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iaf n GLY 285 N 1.29 0.60 7.00 3.38 0.00 -0.88 -4.17 105.19 112.40 3iaf n GLY 285 Ca 0.24 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3iaf n GLY 285 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3iaf n HIS 286 N -3.18 0.00 -0.35 1.61 8.25 0.42 -1.96 115.22 120.00 3iaf n HIS 286 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 3iaf n HIS 286 Cb 0.24 0.04 0.25 0.00 1.12 0.00 0.00 29.99 31.64 3iaf n HIS 286 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iaf n GLY 287 N 0.00 2.74 0.11 -1.41 0.00 -1.26 -4.26 105.19 101.11 3iaf n GLY 287 Ca 0.00 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 3iaf n GLY 287 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3iaf h SER 288 N 2.40 0.32 0.00 1.61 0.87 -1.71 -3.47 113.55 113.57 3iaf h SER 288 Ca 0.08 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 3iaf h SER 288 Cb 1.66 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 3iaf h SER 288 CO 0.42 1.19 0.00 0.61 -0.53 0.00 0.00 176.83 178.51 3iaf n GLY 289 N 1.25 0.77 0.33 5.77 0.00 -1.25 -4.84 105.19 107.22 3iaf n GLY 289 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 3iaf n GLY 289 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3iaf h GLN 290 N 2.19 1.05 0.00 1.61 4.20 -1.89 -3.19 115.11 119.09 3iaf h GLN 290 Ca 0.00 -0.06 -0.30 0.00 0.06 0.00 0.00 58.65 58.35 3iaf h GLN 290 Cb 0.03 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.53 3iaf h GLN 290 CO 0.00 0.70 -1.95 1.28 -0.67 0.00 0.00 178.83 178.19 3iaf n LEU 291 N -4.54 1.53 -4.36 1.46 4.77 -1.26 -4.47 117.00 110.12 3iaf n LEU 291 Ca 0.11 0.26 -0.45 0.00 -0.03 0.00 0.00 56.01 55.91 3iaf n LEU 291 Cb 0.10 -0.63 -0.05 0.00 -2.33 0.00 0.00 43.42 40.51 3iaf n LEU 291 CO 0.34 0.31 0.32 -0.63 -1.33 0.00 0.00 177.39 176.39 3iaf s ILE 292 N -2.44 4.95 0.49 -0.08 1.01 -1.26 -4.88 121.20 118.99 3iaf s ILE 292 Ca -0.28 -1.09 -0.24 0.00 0.00 0.00 0.00 60.65 59.04 3iaf s ILE 292 Cb 0.10 -4.42 -0.07 0.00 0.01 0.00 0.00 42.46 38.08 3iaf s ILE 292 CO 0.36 -1.01 1.39 -2.65 0.00 0.00 0.00 174.94 173.03 3iaf n PRO 293 N 5.98 1.97 0.30 2.79 -0.02 -1.21 -3.81 135.00 141.01 3iaf n PRO 293 Ca -0.11 0.71 0.17 0.00 -2.02 0.00 0.00 63.50 62.25 3iaf n PRO 293 Cb 0.42 -2.59 0.97 0.00 -0.02 0.00 0.00 33.50 32.29 3iaf n PRO 293 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3iaf h HIS 294 N 1.87 0.00 0.00 6.00 3.86 -1.89 -2.73 115.15 122.27 3iaf h HIS 294 Ca -0.51 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 3iaf h HIS 294 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.76 3iaf h HIS 294 CO 0.47 0.00 -0.65 0.66 0.86 0.00 0.00 177.93 179.27 3iaf h SER 295 N 0.00 0.00 -4.00 2.45 4.64 -1.93 -3.48 113.55 111.23 3iaf h SER 295 Ca 0.01 -0.12 -0.48 0.00 -0.47 0.00 0.00 61.79 60.73 3iaf h SER 295 Cb 0.04 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.16 3iaf h SER 295 CO -0.00 0.06 0.41 0.00 -0.87 0.00 0.00 176.83 176.43 3iaf s ALA 296 N -3.23 3.00 0.06 5.18 0.00 -1.03 -4.99 121.76 120.76 3iaf s ALA 296 Ca 0.04 0.68 -0.31 0.00 0.00 0.00 0.00 51.96 52.38 3iaf s ALA 296 Cb 0.11 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.90 3iaf s ALA 296 CO 0.73 -0.27 1.38 -0.65 0.00 0.00 0.00 175.76 176.95 3iaf s GLN 297 N -2.77 4.31 -0.26 0.00 -1.52 -1.11 -4.91 119.66 113.41 3iaf s GLN 297 Ca 0.61 2.01 -0.04 0.00 -1.95 0.00 0.00 55.36 55.99 3iaf s GLN 297 Cb -0.20 -3.40 0.01 0.00 -0.22 0.00 0.00 33.01 29.20 3iaf s GLN 297 CO 0.25 -0.48 -0.01 0.08 -0.25 0.00 0.00 175.29 174.88 3iaf s VAL 298 N 1.65 3.34 -0.29 1.09 1.01 -1.26 -1.16 120.40 124.77 3iaf s VAL 298 Ca 0.64 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.70 3iaf s VAL 298 Cb -0.34 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3iaf s VAL 298 CO 0.29 0.22 0.30 -0.63 0.00 0.00 0.00 175.10 175.28 3iaf s ILE 299 N 1.42 5.23 -0.11 2.22 1.01 -0.58 0.19 121.20 130.57 3iaf s ILE 299 Ca 0.02 0.30 0.03 0.00 0.00 0.00 0.00 60.65 61.01 3iaf s ILE 299 Cb -0.16 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.65 3iaf s ILE 299 CO -0.02 0.14 -0.22 -1.58 0.00 0.00 0.00 174.94 173.26 3iaf s GLN 300 N 1.93 3.09 -0.14 2.79 0.74 -0.05 -0.15 119.66 127.87 3iaf s GLN 300 Ca 0.11 -0.85 0.01 0.00 0.05 0.00 0.00 55.36 54.68 3iaf s GLN 300 Cb -0.16 -2.36 -0.00 0.00 1.10 0.00 0.00 33.01 31.58 3iaf s GLN 300 CO 0.11 0.16 -0.18 0.08 -0.55 0.00 0.00 175.29 174.91 3iaf s VAL 301 N 0.41 2.49 -0.27 1.34 1.01 0.21 -1.31 120.40 124.27 3iaf s VAL 301 Ca -0.16 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 60.73 3iaf s VAL 301 Cb -0.17 -2.03 0.07 0.00 0.00 0.00 0.00 36.38 34.25 3iaf s VAL 301 CO 0.07 0.53 0.72 -0.62 0.00 0.00 0.00 175.10 175.80 3iaf s ASP 302 N 0.71 -0.76 0.55 3.32 -1.08 -0.85 -1.82 116.67 116.74 3iaf s ASP 302 Ca -0.08 1.45 0.37 0.00 -0.52 0.00 0.00 52.55 53.77 3iaf s ASP 302 Cb -0.16 1.46 1.86 0.00 -1.46 0.00 0.00 42.92 44.63 3iaf s ASP 302 CO 0.01 -0.25 2.12 1.55 0.52 0.00 0.00 175.17 179.12 3iaf h PRO 303 N 5.11 0.00 -4.79 4.34 0.13 -1.83 -3.22 132.00 131.74 3iaf h PRO 303 Ca -0.29 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.16 3iaf h PRO 303 Cb 1.16 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.00 3iaf h PRO 303 CO 0.06 0.00 -0.66 0.34 -0.23 0.00 0.00 178.00 177.50 3iaf s ASP 304 N -5.04 4.94 0.49 1.44 3.68 -1.26 -4.69 116.67 116.22 3iaf s ASP 304 Ca -0.02 -0.99 0.19 0.00 2.13 0.00 0.00 52.55 53.86 3iaf s ASP 304 Cb 0.11 -1.79 1.22 0.00 -1.45 0.00 0.00 42.92 41.01 3iaf s ASP 304 CO 0.41 -0.23 2.01 0.00 0.13 0.00 0.00 175.17 177.50 3iaf h ALA 305 N 8.12 2.22 -0.97 3.66 0.00 -1.95 -1.68 119.26 128.67 3iaf h ALA 305 Ca -0.27 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.82 3iaf h ALA 305 Cb 1.10 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 3iaf h ALA 305 CO 0.58 -0.34 0.61 0.00 0.00 0.00 0.00 179.25 180.10 3iaf h GLU 307 N 0.62 0.00 -5.80 0.00 4.39 -1.71 -3.40 114.58 108.67 3iaf h GLU 307 Ca 0.53 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.68 3iaf h GLU 307 Cb 1.01 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.66 3iaf h GLU 307 CO -0.28 0.67 1.55 1.28 -1.16 0.00 0.00 179.01 181.07 3iaf n LEU 308 N -3.61 2.65 -1.85 1.33 4.32 -0.92 -1.69 117.00 117.24 3iaf n LEU 308 Ca -0.01 -0.05 -0.16 0.00 -0.02 0.00 0.00 56.01 55.78 3iaf n LEU 308 Cb 0.69 -1.51 -0.00 0.00 -1.62 0.00 0.00 43.42 40.98 3iaf n LEU 308 CO 0.42 -1.04 -0.16 0.61 -1.22 0.00 0.00 177.39 176.00 3iaf n GLY 309 N 5.99 -0.25 0.22 -0.72 0.00 -1.26 -4.92 105.19 104.24 3iaf n GLY 309 Ca 0.35 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 3iaf n GLY 309 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3iaf h ARG 310 N -0.19 0.49 -0.01 1.61 2.43 -1.54 -3.25 114.38 113.92 3iaf h ARG 310 Ca -0.37 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 3iaf h ARG 310 Cb 1.27 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3iaf h ARG 310 CO 0.43 0.33 -0.03 1.28 -1.51 0.00 0.00 179.97 180.46 3iaf n LEU 311 N -4.89 1.29 -3.88 3.80 4.77 -1.26 -5.06 117.00 111.77 3iaf n LEU 311 Ca 0.06 -0.93 -0.09 0.00 -0.03 0.00 0.00 56.01 55.02 3iaf n LEU 311 Cb 0.17 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 3iaf n LEU 311 CO 0.28 0.27 0.42 -1.58 -1.33 0.00 0.00 177.39 175.45 3iaf s GLN 312 N -0.62 1.98 -0.16 3.23 0.74 -1.23 -4.44 119.66 119.17 3iaf s GLN 312 Ca 0.06 -1.33 -0.17 0.00 0.05 0.00 0.00 55.36 53.97 3iaf s GLN 312 Cb 0.05 0.58 -0.04 0.00 1.10 0.00 0.00 33.01 34.70 3iaf s GLN 312 CO 0.09 -0.90 0.44 0.20 -0.55 0.00 0.00 175.29 174.57 3iaf s GLY 313 N -3.04 2.21 0.04 2.59 0.00 -1.26 -4.52 107.32 103.35 3iaf s GLY 313 Ca 0.17 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 44.56 3iaf s GLY 313 CO 0.11 0.80 -0.03 -0.26 0.00 0.00 0.00 173.10 173.72 3iaf s ILE 314 N 1.01 3.88 0.05 0.90 -4.36 -1.26 -4.51 121.20 116.90 3iaf s ILE 314 Ca 0.22 -0.85 -0.08 0.00 -0.26 0.00 0.00 60.65 59.69 3iaf s ILE 314 Cb -0.15 -2.76 -0.31 0.00 1.25 0.00 0.00 42.46 40.49 3iaf s ILE 314 CO 0.09 0.27 1.05 0.00 0.24 0.00 0.00 174.94 176.58 3iaf h ALA 315 N 4.02 0.04 -3.01 2.27 0.00 -0.61 -3.46 119.26 118.52 3iaf h ALA 315 Ca -0.48 -0.92 -0.23 0.00 0.00 0.00 0.00 54.91 53.28 3iaf h ALA 315 Cb 1.17 0.11 -0.33 0.00 0.00 0.00 0.00 17.79 18.74 3iaf h ALA 315 CO 0.57 0.91 -0.55 -1.17 0.00 0.00 0.00 179.25 179.00 3iaf s LEU 316 N -7.27 0.05 -0.18 0.00 2.96 -0.97 -5.02 118.68 108.26 3iaf s LEU 316 Ca -0.07 0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 54.32 3iaf s LEU 316 Cb 0.06 0.56 0.01 0.00 0.50 0.00 0.00 46.19 47.32 3iaf s LEU 316 CO 0.90 -0.21 -0.15 -0.83 -1.32 0.00 0.00 176.35 174.73 3iaf s GLY 317 N 1.95 1.46 -0.04 7.98 0.00 -1.26 -0.87 107.32 116.54 3iaf s GLY 317 Ca -0.02 -1.15 0.07 0.00 0.00 0.00 0.00 44.72 43.61 3iaf s GLY 317 CO -0.07 0.22 -0.25 -0.42 0.00 0.00 0.00 173.10 172.58 3iaf s ILE 318 N 1.17 1.98 -0.42 0.90 1.01 -0.43 -5.01 121.20 120.40 3iaf s ILE 318 Ca 0.02 -1.04 -0.11 0.00 0.00 0.00 0.00 60.65 59.51 3iaf s ILE 318 Cb -0.14 -1.66 0.07 0.00 0.01 0.00 0.00 42.46 40.73 3iaf s ILE 318 CO -0.07 0.56 0.27 0.68 0.00 0.00 0.00 174.94 176.38 3iaf s VAL 319 N -0.32 4.48 0.25 2.92 -7.23 -1.26 -2.02 120.40 117.23 3iaf s VAL 319 Ca 0.02 -1.23 -0.18 0.00 -1.81 0.00 0.00 61.98 58.78 3iaf s VAL 319 Cb -0.12 -3.68 0.01 0.00 0.56 0.00 0.00 36.38 33.15 3iaf s VAL 319 CO 0.02 -0.47 0.60 0.00 -0.31 0.00 0.00 175.10 174.94 3iaf s ALA 320 N 1.49 -0.84 0.39 1.32 0.00 -1.22 -4.88 121.76 118.03 3iaf s ALA 320 Ca 0.03 -0.48 -0.26 0.00 0.00 0.00 0.00 51.96 51.25 3iaf s ALA 320 Cb -0.22 0.93 -0.09 0.00 0.00 0.00 0.00 23.12 23.74 3iaf s ALA 320 CO 0.04 -0.93 1.21 0.34 0.00 0.00 0.00 175.76 176.42 3iaf s ASP 321 N -2.94 6.55 0.02 0.00 2.15 -0.25 -3.05 116.67 119.14 3iaf s ASP 321 Ca 0.14 2.45 -0.23 0.00 0.43 0.00 0.00 52.55 55.35 3iaf s ASP 321 Cb -0.03 -2.62 -0.17 0.00 -0.30 0.00 0.00 42.92 39.80 3iaf s ASP 321 CO 0.06 -0.67 1.35 0.58 -0.17 0.00 0.00 175.17 176.32 3iaf h VAL 322 N 2.49 1.34 -0.84 1.11 2.07 -1.87 -1.14 116.25 119.42 3iaf h VAL 322 Ca -0.49 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 65.96 3iaf h VAL 322 Cb 1.23 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.86 3iaf h VAL 322 CO 0.63 0.31 0.53 1.23 0.02 0.00 0.00 177.57 180.29 3iaf h GLY 323 N -0.21 1.24 1.01 2.17 0.00 -1.89 0.11 103.07 105.49 3iaf h GLY 323 Ca 0.02 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 46.98 3iaf h GLY 323 CO 0.01 0.31 0.63 -1.33 0.00 0.00 0.00 176.54 176.16 3iaf h GLY 324 N 1.00 1.36 0.64 4.60 0.00 -1.78 0.21 103.07 109.10 3iaf h GLY 324 Ca 0.35 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 3iaf h GLY 324 CO -0.14 0.45 -0.11 -0.84 0.00 0.00 0.00 176.54 175.90 3iaf h THR 325 N 1.25 1.38 -0.53 4.70 2.02 -0.45 -1.25 112.91 120.02 3iaf h THR 325 Ca 0.36 -1.31 0.04 0.00 0.77 0.00 0.00 66.41 66.28 3iaf h THR 325 Cb -0.07 2.05 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 3iaf h THR 325 CO -0.10 0.37 0.29 0.40 0.37 0.00 0.00 175.52 176.85 3iaf h ILE 326 N -0.21 0.99 -0.30 3.11 2.04 -0.64 0.87 117.51 123.37 3iaf h ILE 326 Ca 0.01 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.74 3iaf h ILE 326 Cb 0.64 0.38 -0.08 0.00 -0.74 0.00 0.00 36.82 37.02 3iaf h ILE 326 CO 0.03 0.10 -0.41 -0.08 0.00 0.00 0.00 178.15 177.79 3iaf h GLU 327 N 0.56 -0.36 -0.38 2.37 4.57 -0.59 -0.41 114.58 120.34 3iaf h GLU 327 Ca 0.23 0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.34 3iaf h GLU 327 Cb 0.10 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 3iaf h GLU 327 CO -0.14 -0.24 -0.13 0.00 -1.18 0.00 0.00 179.01 177.32 3iaf h ALA 328 N 0.38 1.05 -0.39 2.92 0.00 -0.36 -2.15 119.26 120.70 3iaf h ALA 328 Ca 0.12 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3iaf h ALA 328 Cb 0.59 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3iaf h ALA 328 CO -0.50 0.58 0.10 -0.07 0.00 0.00 0.00 179.25 179.36 3iaf h LEU 329 N 0.63 0.59 -0.90 0.00 3.38 0.11 -0.96 115.31 118.15 3iaf h LEU 329 Ca 0.11 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3iaf h LEU 329 Cb 0.59 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3iaf h LEU 329 CO 0.04 0.66 0.07 0.00 0.09 0.00 0.00 178.44 179.30 3iaf h ALA 330 N 0.95 1.10 -0.06 1.53 0.00 -0.97 -1.30 119.26 120.51 3iaf h ALA 330 Ca 0.12 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 3iaf h ALA 330 Cb 0.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3iaf h ALA 330 CO 0.00 0.59 -0.69 0.37 0.00 0.00 0.00 179.25 179.52 3iaf h GLN 331 N 0.83 0.27 0.05 0.00 4.15 -1.26 -2.85 115.11 116.31 3iaf h GLN 331 Ca 0.17 -0.21 -0.23 0.00 0.77 0.00 0.00 58.65 59.14 3iaf h GLN 331 Cb 0.39 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 3iaf h GLN 331 CO 0.01 0.86 -1.08 0.00 -1.93 0.00 0.00 178.83 176.69 3iaf h ALA 332 N 1.09 0.27 -0.00 3.38 0.00 -1.06 -3.32 119.26 119.62 3iaf h ALA 332 Ca -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.02 3iaf h ALA 332 Cb 1.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3iaf h ALA 332 CO 0.11 1.08 -0.11 -2.37 0.00 0.00 0.00 179.25 177.95 3iaf n THR 333 N -3.48 0.00 1.69 0.00 5.66 -0.50 -3.21 114.28 114.44 3iaf n THR 333 Ca -0.04 -0.01 0.15 0.00 -3.05 0.00 0.00 64.05 61.10 3iaf n THR 333 Cb 0.95 -0.29 0.83 0.00 -1.55 0.00 0.00 70.33 70.28 3iaf n THR 333 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3iaf n ALA 334 N -1.38 2.55 0.00 1.79 0.00 -1.08 -4.05 120.51 118.34 3iaf n ALA 334 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3iaf n ALA 334 Cb 0.31 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3iaf n ALA 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iaf n GLN 335 N -1.10 0.00 0.00 0.00 10.64 -1.22 -4.75 117.38 120.95 3iaf n GLN 335 Ca 0.19 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.36 3iaf n GLN 335 Cb 0.15 -0.60 0.00 0.00 -0.86 0.00 0.00 30.24 28.93 3iaf n GLN 335 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 3iaf n ASP 336 N -2.02 0.61 -4.56 2.61 5.75 -1.20 -4.83 116.55 112.91 3iaf n ASP 336 Ca 0.00 -1.40 -0.17 0.00 -0.01 0.00 0.00 54.79 53.21 3iaf n ASP 336 Cb 0.19 -0.31 -0.07 0.00 -1.03 0.00 0.00 41.12 39.90 3iaf n ASP 336 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iaf s ALA 337 N -1.13 0.89 -0.31 2.12 0.00 -1.26 -4.61 121.76 117.47 3iaf s ALA 337 Ca 0.00 -1.08 0.19 0.00 0.00 0.00 0.00 51.96 51.06 3iaf s ALA 337 Cb 0.00 -4.59 0.47 0.00 0.00 0.00 0.00 23.12 19.00 3iaf s ALA 337 CO 0.00 -5.81 1.05 0.00 0.00 0.00 0.00 175.76 171.00 3iaf n ALA 338 N 17.72 2.98 -2.72 0.00 0.00 -1.26 -5.12 120.51 132.11 3iaf n ALA 338 Ca 0.45 -2.80 -0.38 0.00 0.00 0.00 0.00 53.44 50.71 3iaf n ALA 338 Cb 0.44 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 3iaf n ALA 338 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3iaf s TRP 339 N -2.98 3.52 1.13 0.00 0.52 -1.26 -5.07 118.94 114.80 3iaf s TRP 339 Ca 0.26 0.95 -0.14 0.00 0.02 0.00 0.00 56.10 57.19 3iaf s TRP 339 Cb 0.41 -2.60 0.23 0.00 -1.15 0.00 0.00 33.47 30.36 3iaf s TRP 339 CO -0.00 0.14 0.79 -0.35 0.02 0.00 0.00 176.95 177.55 3iaf n PRO 340 N 3.75 -2.02 0.18 4.98 -0.04 -1.26 -4.98 135.00 135.60 3iaf n PRO 340 Ca -0.06 -0.56 -0.07 0.00 -0.04 0.00 0.00 63.50 62.78 3iaf n PRO 340 Cb 0.51 -2.07 -0.03 0.00 -0.04 0.00 0.00 33.50 31.87 3iaf n PRO 340 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 3iaf h ASP 341 N -2.45 -0.38 0.00 3.54 -0.00 -1.97 -3.46 116.42 111.70 3iaf h ASP 341 Ca -0.58 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 56.47 3iaf h ASP 341 Cb 1.33 0.10 0.00 0.00 -0.00 0.00 0.00 39.33 40.76 3iaf h ASP 341 CO 0.45 -0.27 0.00 0.54 -0.00 0.00 0.00 179.24 179.96 3iaf n ARG 342 N -3.20 -0.89 -0.22 0.28 5.12 -1.26 -4.84 116.66 111.65 3iaf n ARG 342 Ca -0.06 0.22 -0.07 0.00 -1.93 0.00 0.00 57.85 56.02 3iaf n ARG 342 Cb 0.18 -4.38 0.08 0.00 -1.16 0.00 0.00 32.46 27.17 3iaf n ARG 342 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 3iaf h GLY 343 N 0.00 1.14 1.13 -0.13 0.00 -1.89 0.14 103.07 103.45 3iaf h GLY 343 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 47.33 46.49 3iaf h GLY 343 CO 0.00 0.68 -0.10 -0.55 0.00 0.00 0.00 176.54 176.57 3iaf h ASP 344 N 0.99 1.01 0.09 0.19 3.32 -2.00 -0.68 116.42 119.35 3iaf h ASP 344 Ca 0.20 -0.33 -0.17 0.00 0.02 0.00 0.00 57.03 56.75 3iaf h ASP 344 Cb 0.40 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 3iaf h ASP 344 CO 0.01 1.12 -0.61 -0.25 -1.72 0.00 0.00 179.24 177.78 3iaf h TRP 345 N 0.90 0.67 -0.63 4.55 -0.00 -1.91 -2.97 115.95 116.57 3iaf h TRP 345 Ca 0.14 -0.26 -0.03 0.00 -0.00 0.00 0.00 58.89 58.75 3iaf h TRP 345 Cb 0.66 -0.12 -0.03 0.00 -0.00 0.00 0.00 29.16 29.67 3iaf h TRP 345 CO 0.04 1.00 0.28 0.00 -0.00 0.00 0.00 178.44 179.76 3iaf h ALA 347 N 1.42 1.03 -0.57 0.00 0.00 -1.07 -0.52 119.26 119.54 3iaf h ALA 347 Ca 0.22 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3iaf h ALA 347 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3iaf h ALA 347 CO -0.03 0.63 0.01 -0.22 0.00 0.00 0.00 179.25 179.65 3iaf h LYS 348 N 0.97 0.98 -0.13 0.00 3.64 -1.31 0.27 116.57 121.00 3iaf h LYS 348 Ca 0.20 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3iaf h LYS 348 Cb 0.37 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3iaf h LYS 348 CO 0.00 0.96 0.08 0.28 -2.27 0.00 0.00 179.45 178.50 3iaf h VAL 349 N 0.91 1.07 -0.44 2.00 2.07 -1.03 -2.26 116.25 118.57 3iaf h VAL 349 Ca 0.17 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3iaf h VAL 349 Cb 0.51 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3iaf h VAL 349 CO 0.02 0.06 0.28 0.74 0.02 0.00 0.00 177.57 178.70 3iaf h THR 350 N 0.14 1.12 -0.16 2.57 2.02 -0.92 -2.86 112.91 114.82 3iaf h THR 350 Ca 0.05 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 67.01 3iaf h THR 350 Cb 0.03 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 3iaf h THR 350 CO -0.01 0.12 -0.01 0.44 0.37 0.00 0.00 175.52 176.43 3iaf h ASP 351 N 0.59 -0.08 0.02 4.18 3.45 -0.32 -0.56 116.42 123.70 3iaf h ASP 351 Ca 0.16 0.04 -0.07 0.00 0.43 0.00 0.00 57.03 57.59 3iaf h ASP 351 Cb -0.04 0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.78 3iaf h ASP 351 CO -0.03 -0.02 -0.20 -0.07 -1.57 0.00 0.00 179.24 177.35 3iaf h LEU 352 N 0.04 0.32 -0.02 1.55 3.38 -1.41 0.63 115.31 119.81 3iaf h LEU 352 Ca 0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3iaf h LEU 352 Cb 0.10 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3iaf h LEU 352 CO -0.14 0.54 -0.00 0.00 0.09 0.00 0.00 178.44 178.93 3iaf h ALA 353 N 1.50 0.03 -0.55 1.53 0.00 -1.25 -1.08 119.26 119.43 3iaf h ALA 353 Ca 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3iaf h ALA 353 Cb 0.53 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3iaf h ALA 353 CO 0.03 -0.31 0.29 0.37 0.00 0.00 0.00 179.25 179.63 3iaf h GLN 354 N -0.27 0.78 -0.37 0.00 5.75 -0.77 -2.44 115.11 117.79 3iaf h GLN 354 Ca 0.01 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 3iaf h GLN 354 Cb 0.32 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 3iaf h GLN 354 CO 0.00 0.61 0.15 1.49 -2.65 0.00 0.00 178.83 178.43 3iaf h GLU 355 N 0.74 0.55 -0.56 1.69 4.81 0.27 0.26 114.58 122.34 3iaf h GLU 355 Ca 0.19 -0.10 0.10 0.00 -0.13 0.00 0.00 59.36 59.42 3iaf h GLU 355 Cb 0.07 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.28 3iaf h GLU 355 CO -0.03 0.53 0.11 -0.09 -0.73 0.00 0.00 179.01 178.80 3iaf h ARG 356 N 0.45 0.24 -0.61 1.92 9.65 -1.17 0.39 114.38 125.25 3iaf h ARG 356 Ca 0.12 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.92 3iaf h ARG 356 Cb 0.18 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 3iaf h ARG 356 CO -0.01 0.16 0.13 -0.92 2.80 0.00 0.00 179.97 182.12 3iaf h TYR 357 N 0.25 1.04 -0.43 2.20 3.20 -0.92 -2.78 116.97 119.53 3iaf h TYR 357 Ca 0.29 -0.13 -0.13 0.00 3.14 0.00 0.00 58.73 61.89 3iaf h TYR 357 Cb 0.41 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3iaf h TYR 357 CO -0.24 0.89 -0.23 0.00 -1.64 0.00 0.00 178.16 176.94 3iaf h ALA 358 N 1.03 0.61 -0.93 1.82 0.00 0.06 -2.85 119.26 119.00 3iaf h ALA 358 Ca 0.19 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.77 3iaf h ALA 358 Cb 0.39 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 3iaf h ALA 358 CO 0.01 0.60 0.60 1.03 0.00 0.00 0.00 179.25 181.49 3iaf h SER 359 N 0.75 0.93 -0.20 0.00 0.87 -0.11 -1.82 113.55 113.97 3iaf h SER 359 Ca 0.09 0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.53 3iaf h SER 359 Cb 0.80 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 3iaf h SER 359 CO 0.07 0.60 -0.37 0.40 -0.53 0.00 0.00 176.83 177.00 3iaf h ILE 360 N 1.06 1.33 -0.67 2.23 1.08 -1.47 -3.20 117.51 117.87 3iaf h ILE 360 Ca 0.40 -1.59 0.05 0.00 -0.39 0.00 0.00 64.86 63.33 3iaf h ILE 360 Cb 0.20 1.85 -0.04 0.00 -3.07 0.00 0.00 36.82 35.76 3iaf h ILE 360 CO -0.15 0.49 0.44 0.00 -0.69 0.00 0.00 178.15 178.24 3iaf h ALA 361 N 0.61 1.69 0.00 1.87 0.00 -1.18 -0.32 119.26 121.93 3iaf h ALA 361 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3iaf h ALA 361 Cb 0.96 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3iaf h ALA 361 CO 0.08 0.22 -0.03 0.00 0.00 0.00 0.00 179.25 179.52 3iaf h ALA 362 N 1.62 1.05 0.00 0.00 0.00 -1.34 -3.14 119.26 117.45 3iaf h ALA 362 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3iaf h ALA 362 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3iaf h ALA 362 CO -0.09 0.03 -1.42 1.63 0.00 0.00 0.00 179.25 179.41 3iaf n LYS 363 N -3.19 0.89 -2.96 0.00 4.76 -0.20 -4.99 118.16 112.48 3iaf n LYS 363 Ca -0.01 -0.10 -0.40 0.00 -2.87 0.00 0.00 58.31 54.93 3iaf n LYS 363 Cb 0.21 -1.36 -0.05 0.00 -1.84 0.00 0.00 35.03 31.99 3iaf n LYS 363 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3iaf s SER 364 N -3.45 7.28 -0.07 4.39 0.01 -0.76 -5.06 113.70 116.04 3iaf s SER 364 Ca -0.02 1.53 -0.03 0.00 1.31 0.00 0.00 55.95 58.74 3iaf s SER 364 Cb 0.11 -2.49 0.04 0.00 0.21 0.00 0.00 66.02 63.90 3iaf s SER 364 CO 0.69 0.06 0.14 -0.55 0.41 0.00 0.00 173.24 173.99 3iaf s SER 365 N -0.33 0.30 -0.72 2.44 0.15 -1.26 -4.99 113.70 109.30 3iaf s SER 365 Ca 0.38 0.30 0.03 0.00 0.70 0.00 0.00 55.95 57.36 3iaf s SER 365 Cb -0.21 0.20 0.34 0.00 -1.71 0.00 0.00 66.02 64.64 3iaf s SER 365 CO 0.24 -0.19 1.30 -1.20 1.20 0.00 0.00 173.24 174.60 3iaf n SER 366 N 4.72 5.59 -0.03 5.45 7.64 -1.26 -4.26 113.62 131.46 3iaf n SER 366 Ca -0.17 -3.70 -0.00 0.00 1.01 0.00 0.00 58.87 56.01 3iaf n SER 366 Cb 0.51 -0.77 -0.00 0.00 -1.01 0.00 0.00 64.21 62.94 3iaf n SER 366 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3iaf h GLU 367 N 3.31 0.00 -0.09 1.43 4.81 -1.98 -3.41 114.58 118.65 3iaf h GLU 367 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3iaf h GLU 367 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3iaf h GLU 367 CO 0.97 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.97 3iaf n HIS 368 N -3.83 0.19 -3.57 0.92 8.25 -1.26 -4.95 115.22 110.97 3iaf n HIS 368 Ca -0.00 -0.68 -0.02 0.00 -0.26 0.00 0.00 57.72 56.76 3iaf n HIS 368 Cb 0.01 -0.10 -0.05 0.00 1.12 0.00 0.00 29.99 30.97 3iaf n HIS 368 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3iaf s ALA 369 N -1.73 -2.28 0.11 -1.41 0.00 -1.26 -5.11 121.76 110.07 3iaf s ALA 369 Ca 0.18 2.23 -0.31 0.00 0.00 0.00 0.00 51.96 54.06 3iaf s ALA 369 Cb 0.14 -1.79 -0.10 0.00 0.00 0.00 0.00 23.12 21.36 3iaf s ALA 369 CO 0.05 -0.71 1.86 -1.17 0.00 0.00 0.00 175.76 175.79 3iaf s LEU 370 N 2.17 4.41 0.19 0.00 2.96 -1.26 -4.32 118.68 122.83 3iaf s LEU 370 Ca -0.06 2.75 -0.30 0.00 -0.22 0.00 0.00 54.13 56.30 3iaf s LEU 370 Cb -0.07 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.98 3iaf s LEU 370 CO -0.18 -1.02 1.13 -2.28 -1.32 0.00 0.00 176.35 172.69 3iaf s HIS 371 N 3.05 3.53 0.28 5.38 5.65 -1.26 -0.26 115.29 131.66 3iaf s HIS 371 Ca 0.82 1.54 -0.01 0.00 0.25 0.00 0.00 55.06 57.67 3iaf s HIS 371 Cb -0.46 -3.33 0.45 0.00 -1.18 0.00 0.00 32.58 28.06 3iaf s HIS 371 CO 0.37 -0.81 1.89 -1.35 -0.65 0.00 0.00 174.74 174.19 3iaf h PRO 372 N 5.08 1.10 -0.79 2.88 0.11 -1.93 -0.42 132.00 138.03 3iaf h PRO 372 Ca -0.45 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3iaf h PRO 372 Cb 1.21 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 3iaf h PRO 372 CO 0.73 0.73 0.34 0.35 -0.21 0.00 0.00 178.00 179.94 3iaf h PHE 373 N 1.13 1.17 -0.33 0.65 3.04 -1.92 0.11 116.94 120.78 3iaf h PHE 373 Ca 0.43 -0.07 -0.12 0.00 3.98 0.00 0.00 57.97 62.19 3iaf h PHE 373 Cb 0.20 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 3iaf h PHE 373 CO -0.00 0.87 -0.28 0.45 -2.02 0.00 0.00 178.31 177.33 3iaf h HIS 374 N 1.14 0.79 -0.04 0.41 3.86 -1.81 -1.34 115.15 118.15 3iaf h HIS 374 Ca 0.27 -0.19 -0.08 0.00 -1.16 0.00 0.00 60.37 59.21 3iaf h HIS 374 Cb 0.17 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 3iaf h HIS 374 CO 0.02 0.89 -0.35 0.00 0.86 0.00 0.00 177.93 179.34 3iaf h ALA 375 N 1.10 1.35 0.01 2.45 0.00 -0.70 -2.77 119.26 120.70 3iaf h ALA 375 Ca 0.07 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 3iaf h ALA 375 Cb 0.78 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3iaf h ALA 375 CO 0.06 0.48 -0.87 0.77 0.00 0.00 0.00 179.25 179.69 3iaf h SER 376 N 0.06 0.10 -0.09 0.00 0.02 -0.51 -3.20 113.55 109.94 3iaf h SER 376 Ca 0.01 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 3iaf h SER 376 Cb 0.66 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 3iaf h SER 376 CO 0.05 0.92 -0.24 1.56 -1.14 0.00 0.00 176.83 177.98 3iaf h GLN 377 N 0.04 0.52 -0.79 3.45 4.20 -1.06 -1.87 115.11 119.61 3iaf h GLN 377 Ca -0.03 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.44 3iaf h GLN 377 Cb 1.52 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 29.23 3iaf h GLN 377 CO 0.12 0.72 0.32 0.28 -0.67 0.00 0.00 178.83 179.60 3iaf h VAL 378 N 0.46 1.26 -0.16 -0.54 2.07 -1.49 -2.68 116.25 115.17 3iaf h VAL 378 Ca 0.07 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 3iaf h VAL 378 Cb 0.67 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3iaf h VAL 378 CO 0.05 0.33 -0.13 0.40 0.02 0.00 0.00 177.57 178.24 3iaf h ILE 379 N 1.15 1.33 -0.94 4.57 2.04 -1.51 -3.23 117.51 120.92 3iaf h ILE 379 Ca 0.26 -1.25 0.19 0.00 1.00 0.00 0.00 64.86 65.07 3iaf h ILE 379 Cb 0.21 1.81 -0.08 0.00 -0.74 0.00 0.00 36.82 38.01 3iaf h ILE 379 CO -0.02 0.37 0.60 0.00 0.00 0.00 0.00 178.15 179.10 3iaf h ALA 380 N 0.64 2.01 0.00 1.87 0.00 -1.16 0.47 119.26 123.09 3iaf h ALA 380 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3iaf h ALA 380 Cb 0.64 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3iaf h ALA 380 CO 0.03 -0.32 0.00 1.63 0.00 0.00 0.00 179.25 180.60 3iaf n LYS 381 N -4.58 0.02 -0.06 0.00 5.02 -1.03 -1.79 118.16 115.74 3iaf n LYS 381 Ca 0.20 0.35 0.03 0.00 -2.02 0.00 0.00 58.31 56.87 3iaf n LYS 381 Cb 0.64 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.21 3iaf n LYS 381 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3iaf n HIS 382 N -1.44 0.17 -3.88 2.13 8.25 0.15 -5.03 115.22 115.58 3iaf n HIS 382 Ca 0.02 -0.37 -0.35 0.00 -0.26 0.00 0.00 57.72 56.76 3iaf n HIS 382 Cb 0.06 -0.03 -0.09 0.00 1.12 0.00 0.00 29.99 31.05 3iaf n HIS 382 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3iaf s VAL 383 N -0.86 5.03 0.00 1.59 1.01 -0.74 -4.89 120.40 121.54 3iaf s VAL 383 Ca 0.10 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3iaf s VAL 383 Cb 0.06 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3iaf s VAL 383 CO 0.08 0.44 0.00 -0.90 0.00 0.00 0.00 175.10 174.72 3iaf n ASP 384 N 3.61 0.00 0.00 3.32 5.68 -1.26 -4.53 116.55 123.37 3iaf n ASP 384 Ca -0.16 -0.60 0.05 0.00 -0.50 0.00 0.00 54.79 53.58 3iaf n ASP 384 Cb 0.52 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.76 3iaf n ASP 384 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3iaf n ALA 385 N -3.00 1.63 -0.51 2.12 0.00 -0.89 -1.44 120.51 118.41 3iaf n ALA 385 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.46 3iaf n ALA 385 Cb 0.00 -1.17 0.20 0.00 0.00 0.00 0.00 19.45 18.48 3iaf n ALA 385 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iaf n GLY 386 N -0.38 3.26 3.10 0.00 0.00 -1.26 -3.83 105.19 106.08 3iaf n GLY 386 Ca 0.05 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 3iaf n GLY 386 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iaf s VAL 387 N -1.74 1.54 -0.26 1.61 1.01 -0.52 -1.12 120.40 120.92 3iaf s VAL 387 Ca 0.31 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 3iaf s VAL 387 Cb 0.21 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 3iaf s VAL 387 CO 0.13 0.45 0.11 -0.89 0.00 0.00 0.00 175.10 174.90 3iaf s THR 388 N 0.62 4.63 -0.33 3.92 2.01 -0.23 -1.42 115.64 124.84 3iaf s THR 388 Ca -0.14 -0.08 -0.12 0.00 0.31 0.00 0.00 61.69 61.66 3iaf s THR 388 Cb -0.16 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.13 3iaf s THR 388 CO 0.04 0.30 0.22 -0.69 -0.69 0.00 0.00 174.62 173.81 3iaf s VAL 389 N 1.66 5.23 -0.24 3.82 1.01 -0.01 -1.64 120.40 130.23 3iaf s VAL 389 Ca 0.06 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 3iaf s VAL 389 Cb -0.15 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3iaf s VAL 389 CO 0.06 0.04 0.13 -0.69 0.00 0.00 0.00 175.10 174.64 3iaf s VAL 390 N 1.72 4.99 -0.11 2.92 1.01 -0.24 -1.06 120.40 129.62 3iaf s VAL 390 Ca 0.06 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.11 3iaf s VAL 390 Cb -0.17 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 3iaf s VAL 390 CO 0.10 0.34 -0.18 0.00 0.00 0.00 0.00 175.10 175.36 3iaf s ALA 391 N 1.26 2.43 0.29 5.51 0.00 -0.03 0.13 121.76 131.35 3iaf s ALA 391 Ca 0.06 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.15 3iaf s ALA 391 Cb -0.14 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 3iaf s ALA 391 CO 0.05 0.28 0.21 -3.47 0.00 0.00 0.00 175.76 172.83 3iaf n ASP 392 N 3.48 -0.18 -0.27 0.00 -0.08 -0.36 -4.00 116.55 115.14 3iaf n ASP 392 Ca -0.18 -2.80 0.00 0.00 -1.51 0.00 0.00 54.79 50.29 3iaf n ASP 392 Cb 0.53 1.26 0.00 0.00 2.34 0.00 0.00 41.12 45.25 3iaf n ASP 392 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3iaf n GLY 393 N -0.47 0.95 7.00 0.27 0.00 -1.26 -3.63 105.19 108.05 3iaf n GLY 393 Ca 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3iaf n GLY 393 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iaf n ALA 394 N -1.58 0.00 -0.32 4.61 0.00 -1.26 -0.37 120.51 121.59 3iaf n ALA 394 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 3iaf n ALA 394 Cb 0.35 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.23 3iaf n ALA 394 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3iaf h LEU 395 N 0.00 0.58 -0.11 0.00 3.38 -1.95 -0.23 115.31 116.98 3iaf h LEU 395 Ca 0.00 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3iaf h LEU 395 Cb 0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 3iaf h LEU 395 CO 0.00 0.16 -0.30 0.74 0.09 0.00 0.00 178.44 179.13 3iaf h THR 396 N 0.54 0.32 0.00 0.22 2.02 -0.97 -1.56 112.91 113.47 3iaf h THR 396 Ca 0.58 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.67 3iaf h THR 396 Cb 1.23 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3iaf h THR 396 CO -0.33 0.00 -0.39 0.10 0.37 0.00 0.00 175.52 175.28 3iaf h TYR 397 N -0.39 0.00 -0.16 3.16 -0.00 -1.15 -1.84 116.97 116.59 3iaf h TYR 397 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.69 3iaf h TYR 397 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.24 3iaf h TYR 397 CO -0.38 0.39 -0.48 -0.07 -0.00 0.00 0.00 178.16 177.62 3iaf h LEU 398 N 0.00 0.45 0.02 0.10 3.38 -1.04 -2.30 115.31 115.92 3iaf h LEU 398 Ca -0.00 -0.22 -0.18 0.00 0.09 0.00 0.00 57.88 57.56 3iaf h LEU 398 Cb 1.01 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 41.64 3iaf h LEU 398 CO 0.05 0.86 -0.73 -0.50 0.09 0.00 0.00 178.44 178.21 3iaf h TRP 399 N 0.34 0.70 -0.13 1.13 -0.00 -1.20 -3.34 115.95 113.45 3iaf h TRP 399 Ca 0.02 -0.40 -0.02 0.00 -0.00 0.00 0.00 58.89 58.50 3iaf h TRP 399 Cb 0.96 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.16 30.04 3iaf h TRP 399 CO 0.03 1.23 0.01 1.25 -0.00 0.00 0.00 178.44 180.96 3iaf h LEU 400 N -0.02 0.17 -1.49 -4.49 5.85 -1.30 -2.57 115.31 111.46 3iaf h LEU 400 Ca -0.10 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 3iaf h LEU 400 Cb 1.44 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 3iaf h LEU 400 CO 0.14 0.19 -0.21 0.77 -0.34 0.00 0.00 178.44 178.99 3iaf h SER 401 N 0.19 0.06 -0.91 1.25 4.64 -1.53 -2.67 113.55 114.56 3iaf h SER 401 Ca 0.05 -0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.39 3iaf h SER 401 Cb 0.11 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 3iaf h SER 401 CO 0.00 0.28 0.60 -0.33 -0.87 0.00 0.00 176.83 176.51 3iaf h GLU 402 N 0.06 1.11 -0.00 4.77 4.39 -1.62 -1.57 114.58 121.71 3iaf h GLU 402 Ca 0.01 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3iaf h GLU 402 Cb 0.41 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3iaf h GLU 402 CO 0.03 0.73 -0.50 1.33 -1.16 0.00 0.00 179.01 179.44 3iaf n VAL 403 N -4.44 0.00 0.52 3.13 0.24 -1.12 -4.40 118.33 112.26 3iaf n VAL 403 Ca 0.12 -0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.55 3iaf n VAL 403 Cb 0.11 0.26 0.40 0.00 -1.47 0.00 0.00 33.84 33.14 3iaf n VAL 403 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 3iaf h MET 404 N 0.02 0.00 0.11 7.34 -1.53 -0.94 -3.26 114.93 116.67 3iaf h MET 404 Ca 0.00 0.00 -0.28 0.00 -3.44 0.00 0.00 59.70 55.98 3iaf h MET 404 Cb 0.50 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.55 3iaf h MET 404 CO 0.00 0.00 -1.33 0.77 0.14 0.00 0.00 176.91 176.49 3iaf h SER 405 N 0.00 0.35 0.22 1.39 0.02 -1.77 -3.35 113.55 110.42 3iaf h SER 405 Ca 0.00 -0.42 -0.12 0.00 -0.84 0.00 0.00 61.79 60.41 3iaf h SER 405 Cb 0.70 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 3iaf h SER 405 CO 0.00 1.33 -0.46 0.03 -1.14 0.00 0.00 176.83 176.60 3iaf h ARG 406 N 0.06 0.29 -7.05 3.45 3.08 -1.86 -3.45 114.38 108.91 3iaf h ARG 406 Ca -0.16 -0.16 -0.45 0.00 0.07 0.00 0.00 59.98 59.28 3iaf h ARG 406 Cb 1.97 0.01 0.07 0.00 0.08 0.00 0.00 29.97 32.09 3iaf h ARG 406 CO 0.18 0.70 0.08 0.14 -1.07 0.00 0.00 179.97 180.00 3iaf s VAL 407 N -4.06 2.44 -0.39 2.04 -7.23 -1.25 -5.09 120.40 106.85 3iaf s VAL 407 Ca -0.05 -0.51 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 3iaf s VAL 407 Cb 0.13 -2.92 0.13 0.00 0.56 0.00 0.00 36.38 34.27 3iaf s VAL 407 CO 0.79 0.00 0.19 -0.54 -0.31 0.00 0.00 175.10 175.23 3iaf s LYS 408 N -5.00 1.01 0.56 4.82 1.02 -1.26 -4.98 119.74 115.90 3iaf s LYS 408 Ca 0.60 -1.63 -0.15 0.00 0.02 0.00 0.00 55.97 54.82 3iaf s LYS 408 Cb -0.09 -2.09 -0.06 0.00 -0.52 0.00 0.00 37.83 35.07 3iaf s LYS 408 CO 0.42 -1.11 1.01 -1.25 -0.92 0.00 0.00 175.35 173.49 3iaf s PRO 409 N 0.84 3.76 0.18 -1.68 0.04 -1.26 -2.10 135.00 134.77 3iaf s PRO 409 Ca 0.15 0.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.07 3iaf s PRO 409 Cb -0.22 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.28 3iaf s PRO 409 CO -0.07 -0.43 1.45 0.78 0.04 0.00 0.00 177.00 178.76 3iaf h GLY 410 N 0.43 0.53 -4.38 0.56 0.00 -0.59 -3.43 103.07 96.19 3iaf h GLY 410 Ca -0.46 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.06 3iaf h GLY 410 CO 0.61 0.62 -0.28 -0.32 0.00 0.00 0.00 176.54 177.18 3iaf s GLY 411 N -4.24 -0.14 -0.24 4.60 0.00 -1.20 -4.90 107.32 101.21 3iaf s GLY 411 Ca -0.07 0.24 -0.03 0.00 0.00 0.00 0.00 44.72 44.87 3iaf s GLY 411 CO 0.84 0.03 0.21 -0.12 0.00 0.00 0.00 173.10 174.06 3iaf s PHE 412 N -1.58 -0.14 -0.44 1.90 5.36 -1.26 -0.83 117.98 121.00 3iaf s PHE 412 Ca -0.12 -0.19 -0.03 0.00 -0.96 0.00 0.00 56.93 55.63 3iaf s PHE 412 Cb -0.04 -0.55 0.12 0.00 -0.34 0.00 0.00 43.02 42.21 3iaf s PHE 412 CO 0.03 -0.73 0.24 -0.51 -1.46 0.00 0.00 175.22 172.79 3iaf s LEU 413 N 2.26 5.27 0.00 6.12 1.43 -0.23 -4.55 118.68 128.99 3iaf s LEU 413 Ca 0.07 -2.12 0.00 0.00 -1.03 0.00 0.00 54.13 51.05 3iaf s LEU 413 Cb -0.15 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3iaf s LEU 413 CO -0.23 -0.53 0.00 0.00 0.23 0.00 0.00 176.35 175.82 3iaf s HIS 415 N 0.76 3.78 0.00 0.00 3.76 -1.26 -4.92 115.29 117.42 3iaf s HIS 415 Ca 0.00 1.69 0.00 0.00 -0.15 0.00 0.00 55.06 56.60 3iaf s HIS 415 Cb 0.00 -2.98 0.00 0.00 1.11 0.00 0.00 32.58 30.71 3iaf s HIS 415 CO 0.00 0.22 0.00 0.41 -0.85 0.00 0.00 174.74 174.52 3iaf n GLY 416 N 2.32 0.52 0.30 -2.22 0.00 -1.26 -4.89 105.19 99.96 3iaf n GLY 416 Ca 0.01 -1.85 0.08 0.00 0.00 0.00 0.00 46.02 44.27 3iaf n GLY 416 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3iaf h TYR 417 N -0.11 0.20 -0.31 1.61 0.05 -1.93 -1.26 116.97 115.24 3iaf h TYR 417 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 3iaf h TYR 417 Cb 0.00 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 3iaf h TYR 417 CO 0.00 0.12 0.10 1.25 -1.05 0.00 0.00 178.16 178.58 3iaf h LEU 418 N 0.21 0.39 -0.77 3.88 7.12 -1.91 -3.47 115.31 120.77 3iaf h LEU 418 Ca 0.10 -0.04 -0.46 0.00 0.13 0.00 0.00 57.88 57.61 3iaf h LEU 418 Cb 0.13 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.15 3iaf h LEU 418 CO -0.02 0.37 -0.73 0.61 -0.13 0.00 0.00 178.44 178.55 3iaf n GLY 419 N -1.22 -0.51 3.57 3.75 0.00 -0.48 -4.93 105.19 105.38 3iaf n GLY 419 Ca 0.01 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3iaf n GLY 419 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iaf s SER 420 N -3.24 6.44 0.27 1.61 0.15 -1.26 -5.03 113.70 112.64 3iaf s SER 420 Ca 0.63 0.17 -0.30 0.00 0.70 0.00 0.00 55.95 57.14 3iaf s SER 420 Cb -0.31 -2.33 -0.11 0.00 -1.71 0.00 0.00 66.02 61.56 3iaf s SER 420 CO 0.77 -0.61 1.52 -0.04 1.20 0.00 0.00 173.24 176.08 3iaf s MET 421 N 2.74 4.19 0.00 5.44 -1.94 -1.26 -3.43 119.30 125.04 3iaf s MET 421 Ca 0.25 2.44 0.00 0.00 -1.71 0.00 0.00 55.69 56.67 3iaf s MET 421 Cb -0.14 -3.07 0.00 0.00 2.01 0.00 0.00 34.83 33.63 3iaf s MET 421 CO 0.15 -0.53 0.00 0.41 -0.01 0.00 0.00 175.02 175.04 3iaf n GLY 422 N 2.18 2.26 0.10 -0.03 0.00 -1.26 -4.97 105.19 103.47 3iaf n GLY 422 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 3iaf n GLY 422 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3iaf n VAL 423 N -0.93 0.80 -0.10 1.61 0.24 -1.22 -3.71 118.33 115.02 3iaf n VAL 423 Ca 0.00 0.16 -0.04 0.00 -2.04 0.00 0.00 64.34 62.43 3iaf n VAL 423 Cb 0.00 -1.04 0.18 0.00 -1.47 0.00 0.00 33.84 31.51 3iaf n VAL 423 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3iaf h GLY 424 N 2.67 0.83 0.81 7.63 0.00 -1.89 -2.69 103.07 110.44 3iaf h GLY 424 Ca 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 3iaf h GLY 424 CO 0.00 0.49 -0.28 -2.75 0.00 0.00 0.00 176.54 174.01 3iaf h PHE 425 N 0.73 -0.71 -0.97 5.60 3.04 -1.94 0.26 116.94 122.95 3iaf h PHE 425 Ca 0.15 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.14 3iaf h PHE 425 Cb 0.40 0.24 -0.06 0.00 2.56 0.00 0.00 35.95 39.08 3iaf h PHE 425 CO 0.02 -0.38 0.63 0.78 -2.02 0.00 0.00 178.31 177.34 3iaf h GLY 426 N -0.97 1.44 0.92 2.40 0.00 -1.80 -1.40 103.07 103.68 3iaf h GLY 426 Ca -0.08 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 3iaf h GLY 426 CO 0.13 0.34 -0.17 -0.84 0.00 0.00 0.00 176.54 176.00 3iaf h THR 427 N 1.15 0.66 0.00 4.70 2.02 -1.29 -2.25 112.91 117.90 3iaf h THR 427 Ca 0.41 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 3iaf h THR 427 Cb 0.14 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3iaf h THR 427 CO -0.15 0.03 -0.06 0.00 0.37 0.00 0.00 175.52 175.71 3iaf h ALA 428 N 0.05 1.73 0.14 6.16 0.00 -0.18 0.67 119.26 127.83 3iaf h ALA 428 Ca -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3iaf h ALA 428 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3iaf h ALA 428 CO 0.08 0.08 -0.07 1.25 0.00 0.00 0.00 179.25 180.59 3iaf h LEU 429 N 0.00 -0.16 -1.26 0.00 6.46 -1.11 -1.29 115.31 117.95 3iaf h LEU 429 Ca -0.00 -0.28 -0.07 0.00 -0.12 0.00 0.00 57.88 57.41 3iaf h LEU 429 Cb 0.12 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 3iaf h LEU 429 CO 0.01 0.21 -0.32 1.23 -0.62 0.00 0.00 178.44 178.95 3iaf h GLY 430 N -0.55 0.00 1.07 3.75 0.00 -0.90 -2.47 103.07 103.98 3iaf h GLY 430 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.16 3iaf h GLY 430 CO 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 176.54 176.16 3iaf h ALA 431 N 1.68 0.46 -0.76 3.60 0.00 -0.89 -2.68 119.26 120.67 3iaf h ALA 431 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3iaf h ALA 431 Cb 0.69 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3iaf h ALA 431 CO 0.04 0.58 0.48 0.37 0.00 0.00 0.00 179.25 180.72 3iaf h GLN 432 N 0.59 1.01 -0.62 0.00 5.75 -0.90 0.35 115.11 121.30 3iaf h GLN 432 Ca 0.04 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 3iaf h GLN 432 Cb 1.01 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 29.31 3iaf h GLN 432 CO 0.10 0.69 0.33 0.28 -2.65 0.00 0.00 178.83 177.58 3iaf h VAL 433 N 1.04 1.20 -0.21 2.39 2.07 -1.39 -1.45 116.25 119.90 3iaf h VAL 433 Ca 0.28 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 3iaf h VAL 433 Cb -0.08 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3iaf h VAL 433 CO -0.06 0.22 -0.21 0.00 0.02 0.00 0.00 177.57 177.54 3iaf h ALA 434 N 1.15 0.31 0.00 1.67 0.00 -1.01 -3.07 119.26 118.32 3iaf h ALA 434 Ca 0.22 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3iaf h ALA 434 Cb 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3iaf h ALA 434 CO -0.03 0.26 -0.02 -0.44 0.00 0.00 0.00 179.25 179.01 3iaf h ASP 435 N 0.20 0.00 -0.14 0.00 3.32 -0.22 -2.80 116.42 116.79 3iaf h ASP 435 Ca 0.03 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3iaf h ASP 435 Cb 0.76 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 3iaf h ASP 435 CO 0.05 0.02 -0.06 0.25 -1.72 0.00 0.00 179.24 177.79 3iaf h LEU 436 N 0.00 0.29 -1.26 1.55 5.85 -1.16 0.50 115.31 121.08 3iaf h LEU 436 Ca -0.00 -0.40 -0.05 0.00 0.84 0.00 0.00 57.88 58.27 3iaf h LEU 436 Cb 0.16 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3iaf h LEU 436 CO 0.00 0.63 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.39 3iaf h GLU 437 N -0.04 0.49 -0.02 1.25 5.08 -1.56 -3.18 114.58 116.59 3iaf h GLU 437 Ca 0.03 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3iaf h GLU 437 Cb 0.52 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3iaf h GLU 437 CO 0.02 0.53 -0.02 0.00 -1.00 0.00 0.00 179.01 178.53 3iaf n ALA 438 N -2.48 2.55 -0.78 3.43 0.00 -1.13 -4.96 120.51 117.15 3iaf n ALA 438 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.85 3iaf n ALA 438 Cb 0.24 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3iaf n ALA 438 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iaf n GLY 439 N 1.30 0.72 3.92 0.00 0.00 -0.13 -5.05 105.19 105.94 3iaf n GLY 439 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 3iaf n GLY 439 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iaf s ARG 440 N -0.22 3.44 0.07 1.61 0.52 0.16 -4.99 118.95 119.54 3iaf s ARG 440 Ca 0.00 -0.05 0.06 0.00 -0.52 0.00 0.00 55.73 55.22 3iaf s ARG 440 Cb 0.00 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 3iaf s ARG 440 CO 0.00 -0.13 -0.11 0.50 0.02 0.00 0.00 175.30 175.58 3iaf s ARG 441 N -4.60 2.18 -0.12 3.54 6.06 -0.27 -4.14 118.95 121.60 3iaf s ARG 441 Ca 0.45 -0.96 -0.01 0.00 -2.50 0.00 0.00 55.73 52.71 3iaf s ARG 441 Cb -0.10 -2.31 -0.02 0.00 0.06 0.00 0.00 34.95 32.58 3iaf s ARG 441 CO 0.41 0.53 -0.10 0.99 -2.50 0.00 0.00 175.30 174.64 3iaf s THR 442 N -1.11 3.37 -0.12 4.11 2.01 -1.26 -1.07 115.64 121.56 3iaf s THR 442 Ca 0.19 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.66 3iaf s THR 442 Cb -0.11 -2.42 0.00 0.00 0.01 0.00 0.00 72.50 69.99 3iaf s THR 442 CO 0.11 0.53 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.73 3iaf s ILE 443 N 0.06 2.22 -0.27 1.82 1.01 -0.65 -2.54 121.20 122.86 3iaf s ILE 443 Ca -0.03 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 59.56 3iaf s ILE 443 Cb -0.14 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 3iaf s ILE 443 CO 0.04 0.55 0.20 -0.22 0.00 0.00 0.00 174.94 175.50 3iaf s LEU 444 N 0.56 4.05 -0.41 2.97 2.96 0.73 -1.08 118.68 128.46 3iaf s LEU 444 Ca -0.12 0.05 -0.07 0.00 -0.22 0.00 0.00 54.13 53.76 3iaf s LEU 444 Cb -0.17 -2.14 0.09 0.00 0.50 0.00 0.00 46.19 44.47 3iaf s LEU 444 CO 0.04 -0.03 0.23 -0.69 -1.32 0.00 0.00 176.35 174.58 3iaf s VAL 445 N 1.60 3.87 0.15 1.68 1.01 0.12 0.16 120.40 128.99 3iaf s VAL 445 Ca 0.08 -1.60 0.05 0.00 0.00 0.00 0.00 61.98 60.52 3iaf s VAL 445 Cb -0.15 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3iaf s VAL 445 CO 0.09 -0.54 -0.12 0.28 0.00 0.00 0.00 175.10 174.82 3iaf s THR 446 N 1.33 1.31 0.70 3.92 -1.32 -0.03 -1.23 115.64 120.33 3iaf s THR 446 Ca 0.04 -1.99 -0.08 0.00 -1.21 0.00 0.00 61.69 58.44 3iaf s THR 446 Cb -0.23 -1.79 0.05 0.00 -1.51 0.00 0.00 72.50 69.02 3iaf s THR 446 CO -0.00 -0.63 1.03 -0.83 -2.21 0.00 0.00 174.62 171.98 3iaf s GLY 447 N -3.00 1.65 0.38 6.08 0.00 -1.26 -0.31 107.32 110.86 3iaf s GLY 447 Ca 0.16 -0.77 0.16 0.00 0.00 0.00 0.00 44.72 44.27 3iaf s GLY 447 CO 0.02 -0.38 1.80 1.29 0.00 0.00 0.00 173.10 175.84 3iaf h ASP 448 N -0.60 0.00 0.31 1.64 2.03 -1.77 -2.32 116.42 115.71 3iaf h ASP 448 Ca -0.45 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.84 3iaf h ASP 448 Cb 1.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 3iaf h ASP 448 CO 0.62 0.37 -0.15 1.23 -1.03 0.00 0.00 179.24 180.28 3iaf h GLY 449 N 1.47 -0.44 1.25 7.15 0.00 -1.89 -3.36 103.07 107.25 3iaf h GLY 449 Ca -0.00 0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.54 3iaf h GLY 449 CO 0.05 -0.16 0.38 1.76 0.00 0.00 0.00 176.54 178.57 3iaf h SER 450 N -1.01 0.49 -0.13 0.19 0.02 -1.92 -2.68 113.55 108.51 3iaf h SER 450 Ca -0.04 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 3iaf h SER 450 Cb 0.47 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3iaf h SER 450 CO 0.07 0.32 -0.02 1.62 -1.14 0.00 0.00 176.83 177.68 3iaf h VAL 451 N 0.56 1.17 0.00 2.27 3.04 -1.55 -2.64 116.25 119.10 3iaf h VAL 451 Ca 0.24 -0.67 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 3iaf h VAL 451 Cb 0.24 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 3iaf h VAL 451 CO -0.07 0.22 0.00 0.61 -1.01 0.00 0.00 177.57 177.33 3iaf n GLY 452 N -0.98 -1.08 0.35 3.17 0.00 -1.01 -2.65 105.19 102.98 3iaf n GLY 452 Ca 0.01 0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 3iaf n GLY 452 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3iaf h TYR 453 N 0.00 -0.83 -1.62 1.61 -1.99 -1.63 -3.34 116.97 109.17 3iaf h TYR 453 Ca 0.00 -0.01 -0.49 0.00 2.00 0.00 0.00 58.73 60.23 3iaf h TYR 453 Cb 0.23 0.30 -0.41 0.00 2.00 0.00 0.00 36.73 38.84 3iaf h TYR 453 CO 0.00 -0.48 -0.97 -1.13 -0.00 0.00 0.00 178.16 175.57 3iaf n SER 454 N -5.45 2.72 0.27 3.88 3.41 -1.21 -4.87 113.62 112.36 3iaf n SER 454 Ca -0.12 -3.23 0.16 0.00 -0.26 0.00 0.00 58.87 55.43 3iaf n SER 454 Cb 0.35 -0.54 0.70 0.00 -0.26 0.00 0.00 64.21 64.46 3iaf n SER 454 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3iaf h ILE 455 N 2.41 0.12 0.00 -1.33 2.10 -1.64 -2.54 117.51 116.63 3iaf h ILE 455 Ca 0.09 -0.56 0.00 0.00 1.08 0.00 0.00 64.86 65.47 3iaf h ILE 455 Cb 0.93 1.50 0.00 0.00 -1.09 0.00 0.00 36.82 38.16 3iaf h ILE 455 CO 0.65 0.04 0.00 1.23 -1.08 0.00 0.00 178.15 178.99 3iaf h GLY 456 N 1.81 0.00 2.00 8.18 0.00 -1.89 -2.45 103.07 110.72 3iaf h GLY 456 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iaf h GLY 456 CO 0.01 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.73 3iaf n GLU 457 N -2.85 0.01 0.25 4.80 -0.58 -0.96 -1.66 120.64 119.66 3iaf n GLU 457 Ca -0.02 0.28 0.08 0.00 -0.42 0.00 0.00 57.16 57.08 3iaf n GLU 457 Cb 0.09 -1.52 0.62 0.00 -0.57 0.00 0.00 31.44 30.05 3iaf n GLU 457 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 3iaf h PHE 458 N 0.00 0.00 -0.54 -0.32 -1.00 -1.68 -1.15 116.94 112.25 3iaf h PHE 458 Ca 0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 3iaf h PHE 458 Cb 0.24 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 3iaf h PHE 458 CO 0.00 0.06 0.21 0.22 -1.61 0.00 0.00 178.31 177.19 3iaf h ASP 459 N 0.00 0.75 -0.26 2.17 3.58 -1.56 -3.03 116.42 118.08 3iaf h ASP 459 Ca -0.00 -0.17 -0.13 0.00 0.42 0.00 0.00 57.03 57.14 3iaf h ASP 459 Cb 0.10 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 3iaf h ASP 459 CO 0.01 0.72 -0.31 0.74 -2.88 0.00 0.00 179.24 177.51 3iaf h THR 460 N 0.73 1.28 -0.35 2.25 2.02 -1.39 0.06 112.91 117.51 3iaf h THR 460 Ca 0.18 -1.46 0.05 0.00 0.77 0.00 0.00 66.41 65.95 3iaf h THR 460 Cb 0.21 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 3iaf h THR 460 CO -0.01 0.48 0.24 -0.07 0.37 0.00 0.00 175.52 176.52 3iaf h LEU 461 N 0.65 0.24 0.05 2.58 4.07 -1.25 -1.99 115.31 119.66 3iaf h LEU 461 Ca 0.07 -0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.82 3iaf h LEU 461 Cb 0.85 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.52 3iaf h LEU 461 CO 0.07 0.16 -1.14 0.58 -1.08 0.00 0.00 178.44 177.04 3iaf h VAL 462 N 0.27 1.09 -0.72 1.22 2.07 -1.34 0.33 116.25 119.17 3iaf h VAL 462 Ca 0.15 -2.29 0.03 0.00 0.82 0.00 0.00 66.70 65.41 3iaf h VAL 462 Cb 0.26 2.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 3iaf h VAL 462 CO -0.03 0.53 0.47 0.03 0.02 0.00 0.00 177.57 178.59 3iaf h ARG 463 N -0.70 0.85 -0.27 1.57 3.08 -0.92 -2.46 114.38 115.52 3iaf h ARG 463 Ca -0.28 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3iaf h ARG 463 Cb 1.45 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3iaf h ARG 463 CO -0.06 0.56 0.00 1.63 -1.07 0.00 0.00 179.97 181.03 3iaf n LYS 464 N -4.45 2.19 -3.95 0.04 4.76 -0.76 -4.98 118.16 111.01 3iaf n LYS 464 Ca 0.09 -2.03 -0.29 0.00 -2.87 0.00 0.00 58.31 53.21 3iaf n LYS 464 Cb 0.12 -1.43 0.01 0.00 -1.84 0.00 0.00 35.03 31.89 3iaf n LYS 464 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3iaf n GLN 465 N 1.22 -4.61 -2.86 1.97 6.02 -0.93 -4.96 117.38 113.23 3iaf n GLN 465 Ca 0.16 0.53 -0.42 0.00 -0.01 0.00 0.00 57.00 57.25 3iaf n GLN 465 Cb 0.53 -5.22 -0.04 0.00 1.02 0.00 0.00 30.24 26.53 3iaf n GLN 465 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3iaf s LEU 466 N -7.13 4.05 0.00 1.08 1.43 0.09 -4.94 118.68 113.25 3iaf s LEU 466 Ca 0.47 0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 54.17 3iaf s LEU 466 Cb -0.24 -3.19 -0.15 0.00 0.03 0.00 0.00 46.19 42.64 3iaf s LEU 466 CO 0.86 -0.75 2.66 -2.65 0.23 0.00 0.00 176.35 176.69 3iaf n PRO 467 N 6.52 1.41 -2.62 1.29 -0.02 -1.26 -4.09 135.00 136.22 3iaf n PRO 467 Ca 0.06 -0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 60.59 3iaf n PRO 467 Cb 0.48 -1.61 -0.05 0.00 -0.02 0.00 0.00 33.50 32.30 3iaf n PRO 467 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3iaf s LEU 468 N 0.00 4.56 -0.25 2.45 2.96 -1.26 -4.65 118.68 122.50 3iaf s LEU 468 Ca 0.36 2.04 -0.08 0.00 -0.22 0.00 0.00 54.13 56.24 3iaf s LEU 468 Cb 0.17 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.22 3iaf s LEU 468 CO 0.00 -0.04 0.08 -0.63 -1.32 0.00 0.00 176.35 174.44 3iaf s ILE 469 N -0.77 4.44 -0.39 6.68 1.01 -1.05 -1.80 121.20 129.32 3iaf s ILE 469 Ca 0.45 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.86 3iaf s ILE 469 Cb -0.28 -3.07 0.05 0.00 0.01 0.00 0.00 42.46 39.16 3iaf s ILE 469 CO 0.35 0.34 0.23 -0.69 0.00 0.00 0.00 174.94 175.17 3iaf s VAL 470 N 1.51 4.52 -0.24 2.92 1.01 0.13 -0.19 120.40 130.06 3iaf s VAL 470 Ca 0.06 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 60.87 3iaf s VAL 470 Cb -0.15 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3iaf s VAL 470 CO 0.04 -0.34 0.29 -0.63 0.00 0.00 0.00 175.10 174.47 3iaf s ILE 471 N 1.52 5.26 -0.33 2.22 1.01 0.12 -0.44 121.20 130.57 3iaf s ILE 471 Ca 0.02 0.45 -0.08 0.00 0.00 0.00 0.00 60.65 61.05 3iaf s ILE 471 Cb -0.21 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.66 3iaf s ILE 471 CO 0.05 0.26 0.12 -0.63 0.00 0.00 0.00 174.94 174.75 3iaf s ILE 472 N 1.44 4.05 -0.73 2.92 1.01 -0.30 -0.85 121.20 128.73 3iaf s ILE 472 Ca 0.13 -0.90 -0.27 0.00 0.00 0.00 0.00 60.65 59.62 3iaf s ILE 472 Cb -0.15 -3.21 0.02 0.00 0.01 0.00 0.00 42.46 39.13 3iaf s ILE 472 CO 0.07 -0.09 1.45 -0.04 0.00 0.00 0.00 174.94 176.34 3iaf s MET 473 N 1.48 3.06 -0.51 2.79 -1.94 0.58 -1.04 119.30 123.72 3iaf s MET 473 Ca 0.01 -0.10 -0.17 0.00 -1.71 0.00 0.00 55.69 53.72 3iaf s MET 473 Cb -0.19 -4.34 0.08 0.00 2.01 0.00 0.00 34.83 32.39 3iaf s MET 473 CO 0.04 -2.33 0.54 1.21 -0.01 0.00 0.00 175.02 174.46 3iaf s ASN 474 N 5.03 6.19 -0.25 3.03 3.84 0.22 -2.40 114.94 130.59 3iaf s ASN 474 Ca 0.45 -1.26 0.13 0.00 0.21 0.00 0.00 52.86 52.39 3iaf s ASN 474 Cb -0.09 -2.24 0.61 0.00 -0.55 0.00 0.00 41.25 38.98 3iaf s ASN 474 CO 0.14 -0.83 1.57 -0.46 -2.79 0.00 0.00 177.10 174.73 3iaf n ASN 475 N 5.73 4.01 -1.60 -4.21 0.23 -1.26 -1.85 115.26 116.32 3iaf n ASN 475 Ca -0.10 -3.23 -0.19 0.00 -0.53 0.00 0.00 54.58 50.53 3iaf n ASN 475 Cb 0.44 -0.63 -0.08 0.00 -2.08 0.00 0.00 39.78 37.42 3iaf n ASN 475 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3iaf n GLN 476 N -0.46 -1.44 -3.59 -3.83 1.13 -1.26 -4.77 117.38 103.16 3iaf n GLN 476 Ca 0.30 1.13 -0.07 0.00 -1.94 0.00 0.00 57.00 56.43 3iaf n GLN 476 Cb 1.10 -5.51 -0.02 0.00 0.11 0.00 0.00 30.24 25.92 3iaf n GLN 476 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3iaf s SER 477 N -2.62 -0.31 -0.98 1.08 1.04 -1.26 0.82 113.70 111.47 3iaf s SER 477 Ca 0.00 -0.14 -0.24 0.00 0.48 0.00 0.00 55.95 56.05 3iaf s SER 477 Cb 0.00 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 3iaf s SER 477 CO 0.00 -0.74 1.74 0.26 0.98 0.00 0.00 173.24 175.48 3iaf s TRP 478 N -3.21 2.14 0.04 5.02 0.52 0.32 -4.41 118.94 119.36 3iaf s TRP 478 Ca 0.07 -0.06 -0.30 0.00 0.02 0.00 0.00 56.10 55.84 3iaf s TRP 478 Cb -0.01 -4.33 -0.16 0.00 -1.15 0.00 0.00 33.47 27.81 3iaf s TRP 478 CO -0.05 -1.80 1.38 0.78 0.02 0.00 0.00 176.95 177.28 3iaf h GLY 479 N 15.63 -1.12 0.54 0.98 0.00 -1.92 -1.99 103.07 115.20 3iaf h GLY 479 Ca 0.16 0.41 0.09 0.00 0.00 0.00 0.00 47.33 47.99 3iaf h GLY 479 CO 1.31 -0.41 0.46 0.00 0.00 0.00 0.00 176.54 177.90 3iaf h ALA 480 N -1.45 1.14 -0.39 3.60 0.00 -1.92 0.22 119.26 120.46 3iaf h ALA 480 Ca -0.11 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3iaf h ALA 480 Cb 0.82 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3iaf h ALA 480 CO 0.18 0.09 -0.06 1.79 0.00 0.00 0.00 179.25 181.25 3iaf h THR 481 N 0.78 1.23 -0.29 0.00 1.35 -1.98 -0.16 112.91 113.84 3iaf h THR 481 Ca 0.38 -1.01 -0.10 0.00 -0.55 0.00 0.00 66.41 65.13 3iaf h THR 481 Cb 0.34 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 3iaf h THR 481 CO -0.24 0.34 -0.26 0.25 -0.25 0.00 0.00 175.52 175.37 3iaf h LEU 482 N 0.60 0.59 -0.42 3.87 6.46 -0.33 -0.66 115.31 125.43 3iaf h LEU 482 Ca 0.12 -0.21 -0.05 0.00 -0.12 0.00 0.00 57.88 57.62 3iaf h LEU 482 Cb 0.47 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 3iaf h LEU 482 CO 0.02 0.83 0.08 0.45 -0.62 0.00 0.00 178.44 179.20 3iaf h HIS 483 N 0.51 0.72 -0.64 1.25 3.86 -0.56 -1.74 115.15 118.55 3iaf h HIS 483 Ca 0.07 -0.10 0.09 0.00 -1.16 0.00 0.00 60.37 59.27 3iaf h HIS 483 Cb 0.71 -0.20 -0.07 0.00 1.06 0.00 0.00 27.41 28.91 3iaf h HIS 483 CO 0.03 0.70 0.27 0.35 0.86 0.00 0.00 177.93 180.14 3iaf h PHE 484 N 0.54 0.48 -0.18 2.45 3.04 -0.78 0.36 116.94 122.86 3iaf h PHE 484 Ca 0.13 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.11 3iaf h PHE 484 Cb 0.36 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 3iaf h PHE 484 CO 0.02 0.15 0.11 1.96 -2.02 0.00 0.00 178.31 178.54 3iaf h GLN 485 N 0.48 0.23 -0.28 1.11 4.20 -0.81 0.81 115.11 120.85 3iaf h GLN 485 Ca 0.32 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.82 3iaf h GLN 485 Cb 0.36 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3iaf h GLN 485 CO -0.29 0.17 -0.56 1.96 -0.67 0.00 0.00 178.83 179.45 3iaf h GLN 486 N 0.23 0.86 0.06 1.46 4.20 -0.98 -1.35 115.11 119.58 3iaf h GLN 486 Ca 0.06 -0.55 -0.11 0.00 0.06 0.00 0.00 58.65 58.11 3iaf h GLN 486 Cb -0.01 0.07 0.01 0.00 0.30 0.00 0.00 27.48 27.85 3iaf h GLN 486 CO -0.01 1.18 -0.46 -0.07 -0.67 0.00 0.00 178.83 178.80 3iaf h LEU 487 N 0.66 0.30 0.03 1.46 4.07 -0.19 -2.69 115.31 118.94 3iaf h LEU 487 Ca 0.01 -0.91 -0.23 0.00 0.08 0.00 0.00 57.88 56.84 3iaf h LEU 487 Cb 1.16 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 3iaf h LEU 487 CO 0.12 1.18 -1.07 0.00 -1.08 0.00 0.00 178.44 177.60 3iaf h ALA 488 N 0.13 0.28 0.00 1.53 0.00 -0.98 -3.43 119.26 116.79 3iaf h ALA 488 Ca -0.07 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 53.94 3iaf h ALA 488 Cb 1.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3iaf h ALA 488 CO 0.09 1.15 -0.24 0.28 0.00 0.00 0.00 179.25 180.54 3iaf n VAL 489 N -3.42 0.70 0.00 0.00 0.31 -0.75 -5.07 118.33 110.10 3iaf n VAL 489 Ca -0.03 0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 3iaf n VAL 489 Cb 0.96 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 3iaf n VAL 489 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iaf n GLY 490 N 2.58 1.86 0.38 2.92 0.00 -0.58 -4.97 105.19 107.36 3iaf n GLY 490 Ca -0.03 -0.83 0.20 0.00 0.00 0.00 0.00 46.02 45.35 3iaf n GLY 490 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iaf h PRO 491 N 0.00 0.00 -0.18 1.61 0.13 -1.86 -2.26 132.00 129.44 3iaf h PRO 491 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 3iaf h PRO 491 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 3iaf h PRO 491 CO 0.00 0.00 -0.17 0.27 -0.23 0.00 0.00 178.00 177.87 3iaf n ASN 492 N -3.70 2.44 -1.78 1.44 6.94 -1.26 -4.62 115.26 114.71 3iaf n ASN 492 Ca 0.06 -3.59 -0.17 0.00 -0.02 0.00 0.00 54.58 50.86 3iaf n ASN 492 Cb 0.57 -0.56 0.06 0.00 -2.36 0.00 0.00 39.78 37.49 3iaf n ASN 492 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3iaf n ARG 493 N -1.09 3.14 -3.61 -3.83 5.12 -0.85 -5.02 116.66 110.51 3iaf n ARG 493 Ca 0.25 -3.97 -0.38 0.00 -1.93 0.00 0.00 57.85 51.82 3iaf n ARG 493 Cb 0.85 -2.11 -0.11 0.00 -1.16 0.00 0.00 32.46 29.93 3iaf n ARG 493 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3iaf s VAL 494 N -4.27 5.05 -0.09 1.55 0.11 -1.26 -4.80 120.40 116.68 3iaf s VAL 494 Ca 0.48 -0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 59.36 3iaf s VAL 494 Cb 0.40 -3.46 0.03 0.00 -1.53 0.00 0.00 36.38 31.82 3iaf s VAL 494 CO 0.01 0.19 0.31 0.42 -3.33 0.00 0.00 175.10 172.71 3iaf s THR 495 N 1.71 0.02 -0.97 5.04 -4.23 -1.26 -4.92 115.64 111.02 3iaf s THR 495 Ca 0.06 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 3iaf s THR 495 Cb -0.16 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.18 3iaf s THR 495 CO 0.09 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 3iaf n GLY 496 N 2.41 1.03 0.01 3.99 0.00 -1.26 -4.86 105.19 106.50 3iaf n GLY 496 Ca -0.16 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.58 3iaf n GLY 496 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iaf n THR 497 N -2.55 0.07 -2.61 2.61 -2.24 -1.26 -4.95 114.28 103.35 3iaf n THR 497 Ca -0.09 -0.09 -0.36 0.00 -2.27 0.00 0.00 64.05 61.24 3iaf n THR 497 Cb 0.39 -0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.55 3iaf n THR 497 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3iaf s ARG 498 N -2.17 4.18 -0.24 -0.78 0.52 -1.26 0.12 118.95 119.31 3iaf s ARG 498 Ca -0.01 1.42 0.20 0.00 -0.52 0.00 0.00 55.73 56.82 3iaf s ARG 498 Cb 0.02 -2.47 0.49 0.00 0.52 0.00 0.00 34.95 33.51 3iaf s ARG 498 CO 0.13 -0.11 1.13 1.28 0.02 0.00 0.00 175.30 177.75 3iaf n LEU 499 N -0.18 2.08 -3.62 2.53 4.77 0.24 -4.78 117.00 118.03 3iaf n LEU 499 Ca 0.05 -3.23 -0.41 0.00 -0.03 0.00 0.00 56.01 52.39 3iaf n LEU 499 Cb 0.51 0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.86 3iaf n LEU 499 CO 0.43 1.17 2.39 -0.62 -1.33 0.00 0.00 177.39 179.43 3iaf n GLU 500 N -0.54 2.12 0.00 3.23 1.02 -1.08 -4.43 120.64 120.95 3iaf n GLU 500 Ca 0.13 -2.12 0.00 0.00 -0.02 0.00 0.00 57.16 55.15 3iaf n GLU 500 Cb 0.85 -3.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.25 3iaf n GLU 500 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3iaf n ASN 501 N 6.62 0.00 -4.87 1.62 5.15 -1.26 -5.15 115.26 117.36 3iaf n ASN 501 Ca 0.51 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 54.17 3iaf n ASN 501 Cb 0.38 0.01 -0.05 0.00 -0.53 0.00 0.00 39.78 39.58 3iaf n ASN 501 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3iaf s GLY 502 N -3.58 2.30 -0.62 8.20 0.00 -1.26 -5.04 107.32 107.31 3iaf s GLY 502 Ca 0.00 -0.28 -0.25 0.00 0.00 0.00 0.00 44.72 44.19 3iaf s GLY 502 CO 0.00 -0.13 1.07 -0.45 0.00 0.00 0.00 173.10 173.59 3iaf s SER 503 N -2.28 6.29 0.24 1.64 0.15 -1.26 -4.91 113.70 113.56 3iaf s SER 503 Ca 0.46 -0.41 0.03 0.00 0.70 0.00 0.00 55.95 56.72 3iaf s SER 503 Cb -0.12 -2.48 0.26 0.00 -1.71 0.00 0.00 66.02 61.97 3iaf s SER 503 CO 0.21 -1.45 1.58 1.88 1.20 0.00 0.00 173.24 176.66 3iaf h TYR 504 N 9.56 0.41 -0.21 3.44 0.05 -1.99 -2.31 116.97 125.92 3iaf h TYR 504 Ca -0.27 -0.14 -0.11 0.00 0.05 0.00 0.00 58.73 58.26 3iaf h TYR 504 Cb 1.06 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.71 3iaf h TYR 504 CO 0.99 0.80 -0.33 1.12 -1.05 0.00 0.00 178.16 179.69 3iaf h HIS 505 N 0.25 0.50 -0.77 4.88 2.07 -1.89 -1.43 115.15 118.76 3iaf h HIS 505 Ca 0.00 -0.12 -0.02 0.00 -2.85 0.00 0.00 60.37 57.38 3iaf h HIS 505 Cb 1.04 -0.12 -0.04 0.00 2.57 0.00 0.00 27.41 30.86 3iaf h HIS 505 CO 0.03 0.72 0.42 0.78 -3.07 0.00 0.00 177.93 176.80 3iaf h GLY 506 N 1.08 1.15 0.86 6.13 0.00 -1.86 0.09 103.07 110.51 3iaf h GLY 506 Ca 0.04 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3iaf h GLY 506 CO 0.06 0.50 -0.33 -2.08 0.00 0.00 0.00 176.54 174.70 3iaf h VAL 507 N 1.06 0.33 -0.92 4.60 2.07 -0.97 -0.40 116.25 122.02 3iaf h VAL 507 Ca 0.27 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.90 3iaf h VAL 507 Cb 0.04 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.07 3iaf h VAL 507 CO -0.04 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.14 3iaf h ALA 508 N -0.41 1.63 0.00 1.67 0.00 -1.17 0.46 119.26 121.45 3iaf h ALA 508 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3iaf h ALA 508 Cb 0.66 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3iaf h ALA 508 CO 0.06 0.16 -0.28 0.00 0.00 0.00 0.00 179.25 179.20 3iaf h ALA 509 N 1.55 1.30 -0.16 0.00 0.00 -0.66 -0.58 119.26 120.71 3iaf h ALA 509 Ca 0.44 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 3iaf h ALA 509 Cb 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3iaf h ALA 509 CO -0.20 0.35 -0.54 0.00 0.00 0.00 0.00 179.25 178.86 3iaf h ALA 510 N 1.72 0.77 -0.00 0.00 0.00 0.83 -2.11 119.26 120.47 3iaf h ALA 510 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3iaf h ALA 510 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3iaf h ALA 510 CO 0.04 0.68 -0.07 1.19 0.00 0.00 0.00 179.25 181.09 3iaf n PHE 511 N -3.95 0.00 -0.18 0.00 3.72 -0.98 -4.94 117.46 111.12 3iaf n PHE 511 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3iaf n PHE 511 Cb 0.59 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 3iaf n PHE 511 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iaf n GLY 512 N 1.32 0.90 3.90 1.37 0.00 -0.45 -4.66 105.19 107.57 3iaf n GLY 512 Ca 0.13 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 3iaf n GLY 512 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iaf s ALA 513 N -2.00 3.38 -0.01 4.61 0.00 -0.35 -4.95 121.76 122.44 3iaf s ALA 513 Ca 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 51.96 51.22 3iaf s ALA 513 Cb 0.00 -2.62 -0.07 0.00 0.00 0.00 0.00 23.12 20.42 3iaf s ALA 513 CO 0.00 -0.32 1.79 -0.51 0.00 0.00 0.00 175.76 176.72 3iaf s ASP 514 N -3.98 6.57 -0.34 0.00 -0.00 -0.69 -3.79 116.67 114.44 3iaf s ASP 514 Ca 0.48 2.44 -0.02 0.00 -0.00 0.00 0.00 52.55 55.45 3iaf s ASP 514 Cb -0.10 -2.53 0.07 0.00 -0.00 0.00 0.00 42.92 40.36 3iaf s ASP 514 CO 0.43 -0.98 0.08 -0.83 -0.00 0.00 0.00 175.17 173.88 3iaf s GLY 515 N 3.72 1.86 -0.00 0.21 0.00 -1.26 0.64 107.32 112.49 3iaf s GLY 515 Ca 0.80 -2.08 -0.01 0.00 0.00 0.00 0.00 44.72 43.43 3iaf s GLY 515 CO 0.35 0.83 0.10 -0.19 0.00 0.00 0.00 173.10 174.18 3iaf s TYR 516 N 1.21 3.32 -0.07 1.90 2.02 0.52 -4.94 117.35 121.31 3iaf s TYR 516 Ca 0.01 0.23 0.02 0.00 -0.37 0.00 0.00 57.07 56.96 3iaf s TYR 516 Cb -0.21 -1.75 0.01 0.00 -0.40 0.00 0.00 41.96 39.62 3iaf s TYR 516 CO -0.02 0.56 -0.13 -3.38 -1.57 0.00 0.00 175.55 171.01 3iaf s HIS 517 N -1.21 1.57 0.20 2.71 -3.43 -1.26 -0.41 115.29 113.45 3iaf s HIS 517 Ca 0.24 -0.60 0.02 0.00 -0.80 0.00 0.00 55.06 53.92 3iaf s HIS 517 Cb -0.12 -1.14 -0.05 0.00 -1.43 0.00 0.00 32.58 29.84 3iaf s HIS 517 CO 0.15 -0.30 0.02 0.14 -2.00 0.00 0.00 174.74 172.74 3iaf s VAL 518 N 0.67 0.73 0.00 -5.38 -7.23 0.29 -4.94 120.40 104.54 3iaf s VAL 518 Ca -0.14 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.03 3iaf s VAL 518 Cb -0.16 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.54 3iaf s VAL 518 CO 0.04 -0.37 0.17 -0.90 -0.31 0.00 0.00 175.10 173.73 3iaf n ASP 519 N -0.31 0.00 -4.00 4.85 3.85 -1.26 -1.35 116.55 118.33 3iaf n ASP 519 Ca -0.05 -1.00 -0.09 0.00 -0.71 0.00 0.00 54.79 52.94 3iaf n ASP 519 Cb 0.64 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.33 3iaf n ASP 519 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3iaf s SER 520 N 0.00 0.14 0.24 -1.12 1.04 -1.26 -4.22 113.70 108.52 3iaf s SER 520 Ca 0.00 -0.93 -0.06 0.00 0.48 0.00 0.00 55.95 55.44 3iaf s SER 520 Cb 0.00 0.37 0.43 0.00 0.10 0.00 0.00 66.02 66.92 3iaf s SER 520 CO 0.00 -0.81 1.68 0.58 0.98 0.00 0.00 173.24 175.67 3iaf h VAL 521 N 2.69 0.52 0.27 5.02 2.07 -1.94 -0.36 116.25 124.52 3iaf h VAL 521 Ca -0.33 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3iaf h VAL 521 Cb 1.21 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3iaf h VAL 521 CO 0.53 0.05 -0.24 -0.08 0.02 0.00 0.00 177.57 177.84 3iaf h GLU 522 N 0.25 -0.49 -0.55 1.57 4.57 -2.01 -2.83 114.58 115.10 3iaf h GLU 522 Ca 0.40 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.60 3iaf h GLU 522 Cb 0.67 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.34 3iaf h GLU 522 CO -0.51 -0.32 0.29 0.66 -1.18 0.00 0.00 179.01 177.95 3iaf h SER 523 N -0.51 0.68 -0.25 1.04 4.64 -1.92 -2.93 113.55 114.30 3iaf h SER 523 Ca -0.03 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.19 3iaf h SER 523 Cb 0.43 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3iaf h SER 523 CO -0.01 0.56 -0.01 0.15 -0.87 0.00 0.00 176.83 176.64 3iaf h PHE 524 N 0.77 0.50 -0.06 4.77 3.57 -1.09 -2.17 116.94 123.24 3iaf h PHE 524 Ca 0.20 -0.09 -0.11 0.00 3.53 0.00 0.00 57.97 61.49 3iaf h PHE 524 Cb 0.04 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3iaf h PHE 524 CO 0.00 0.63 -0.48 0.66 -2.23 0.00 0.00 178.31 176.90 3iaf h SER 525 N 0.23 0.15 0.13 0.41 4.64 -1.44 0.25 113.55 117.92 3iaf h SER 525 Ca 0.07 -0.07 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3iaf h SER 525 Cb 0.44 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3iaf h SER 525 CO 0.02 0.61 -0.16 0.00 -0.87 0.00 0.00 176.83 176.43 3iaf h ALA 526 N 1.40 -0.30 -0.67 5.18 0.00 -1.46 0.35 119.26 123.76 3iaf h ALA 526 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3iaf h ALA 526 Cb 0.89 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3iaf h ALA 526 CO 0.07 -0.69 0.37 0.00 0.00 0.00 0.00 179.25 179.00 3iaf h ALA 527 N 0.49 0.85 -0.43 0.00 0.00 -1.01 -0.24 119.26 118.92 3iaf h ALA 527 Ca 0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3iaf h ALA 527 Cb 0.33 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3iaf h ALA 527 CO -0.07 0.36 -0.19 1.25 0.00 0.00 0.00 179.25 180.61 3iaf h LEU 528 N 0.91 0.84 -0.14 0.00 5.85 -0.28 0.68 115.31 123.18 3iaf h LEU 528 Ca 0.24 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 3iaf h LEU 528 Cb 0.03 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 3iaf h LEU 528 CO -0.04 1.01 -0.23 0.00 -0.34 0.00 0.00 178.44 178.84 3iaf h ALA 529 N 1.05 0.21 0.03 1.25 0.00 -0.13 -0.94 119.26 120.74 3iaf h ALA 529 Ca 0.11 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3iaf h ALA 529 Cb 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3iaf h ALA 529 CO 0.05 0.17 -0.02 0.37 0.00 0.00 0.00 179.25 179.83 3iaf h GLN 530 N -0.00 -0.04 -0.61 0.00 4.15 -0.97 0.66 115.11 118.30 3iaf h GLN 530 Ca 0.01 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 3iaf h GLN 530 Cb 0.81 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.48 3iaf h GLN 530 CO 0.05 0.08 0.19 0.00 -1.93 0.00 0.00 178.83 177.21 3iaf h ALA 531 N 0.82 1.18 0.00 3.38 0.00 -0.94 -2.34 119.26 121.36 3iaf h ALA 531 Ca -0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3iaf h ALA 531 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3iaf h ALA 531 CO 0.01 0.57 -0.38 1.25 0.00 0.00 0.00 179.25 180.70 3iaf h LEU 532 N 0.89 0.00 0.00 0.00 5.85 -1.00 -3.01 115.31 118.04 3iaf h LEU 532 Ca 0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3iaf h LEU 532 Cb 0.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3iaf h LEU 532 CO -0.01 0.38 -0.10 0.00 -0.34 0.00 0.00 178.44 178.37 3iaf h ALA 533 N 1.62 0.94 -2.86 1.25 0.00 -0.36 -3.45 119.26 116.39 3iaf h ALA 533 Ca -0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 3iaf h ALA 533 Cb 1.01 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 3iaf h ALA 533 CO 0.05 0.00 -0.51 -1.01 0.00 0.00 0.00 179.25 177.78 3iaf s HIS 534 N -3.14 3.51 -1.33 0.00 3.76 -0.94 -5.02 115.29 112.12 3iaf s HIS 534 Ca 0.09 0.32 -0.10 0.00 -0.15 0.00 0.00 55.06 55.22 3iaf s HIS 534 Cb 0.11 -1.80 0.13 0.00 1.11 0.00 0.00 32.58 32.12 3iaf s HIS 534 CO 0.63 0.63 2.04 -1.71 -0.85 0.00 0.00 174.74 175.47 3iaf n ASN 535 N 0.85 5.22 -3.73 1.40 2.85 -1.26 -4.93 115.26 115.66 3iaf n ASN 535 Ca -0.10 -3.04 -0.14 0.00 -0.11 0.00 0.00 54.58 51.19 3iaf n ASN 535 Cb 0.52 -1.51 -0.08 0.00 1.24 0.00 0.00 39.78 39.95 3iaf n ASN 535 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3iaf s ARG 536 N 0.89 0.69 0.24 1.20 3.00 -1.26 -4.93 118.95 118.78 3iaf s ARG 536 Ca 0.43 -0.05 -0.31 0.00 0.00 0.00 0.00 55.73 55.80 3iaf s ARG 536 Cb 0.12 0.31 -0.12 0.00 0.00 0.00 0.00 34.95 35.26 3iaf s ARG 536 CO -0.03 -0.19 1.62 -0.35 0.00 0.00 0.00 175.30 176.35 3iaf n PRO 537 N 1.41 2.58 -4.13 3.54 -0.04 -1.26 -4.54 135.00 132.56 3iaf n PRO 537 Ca -0.20 0.92 -0.14 0.00 -0.04 0.00 0.00 63.50 64.04 3iaf n PRO 537 Cb 0.56 -2.71 -0.11 0.00 -0.04 0.00 0.00 33.50 31.20 3iaf n PRO 537 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iaf s ALA 538 N 0.51 0.89 -0.09 0.55 0.00 -0.74 -1.71 121.76 121.17 3iaf s ALA 538 Ca 0.70 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.63 3iaf s ALA 538 Cb -0.54 0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.65 3iaf s ALA 538 CO 0.42 -0.04 -0.05 0.00 0.00 0.00 0.00 175.76 176.08 3iaf s ILE 540 N 1.68 3.68 -0.45 0.00 1.01 0.42 -0.35 121.20 127.19 3iaf s ILE 540 Ca 0.03 -1.13 -0.24 0.00 0.00 0.00 0.00 60.65 59.31 3iaf s ILE 540 Cb -0.13 -3.07 0.02 0.00 0.01 0.00 0.00 42.46 39.30 3iaf s ILE 540 CO -0.06 -0.15 0.81 0.21 0.00 0.00 0.00 174.94 175.76 3iaf s ASN 541 N 1.39 6.44 -0.38 3.58 2.47 0.45 -1.15 114.94 127.74 3iaf s ASN 541 Ca -0.02 -0.03 -0.07 0.00 0.42 0.00 0.00 52.86 53.16 3iaf s ASN 541 Cb -0.19 -2.40 0.06 0.00 -1.45 0.00 0.00 41.25 37.27 3iaf s ASN 541 CO 0.02 -0.93 0.17 -0.69 -3.72 0.00 0.00 177.10 171.95 3iaf s VAL 542 N 3.37 3.88 0.01 -5.21 1.01 -0.20 -0.54 120.40 122.71 3iaf s VAL 542 Ca 0.31 -1.33 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 3iaf s VAL 542 Cb -0.12 -3.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 3iaf s VAL 542 CO 0.23 -0.35 1.59 0.00 0.00 0.00 0.00 175.10 176.57 3iaf s ALA 543 N 1.38 3.64 0.01 5.51 0.00 -0.46 -0.61 121.76 131.23 3iaf s ALA 543 Ca 0.01 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.98 3iaf s ALA 543 Cb -0.21 -3.69 -0.01 0.00 0.00 0.00 0.00 23.12 19.21 3iaf s ALA 543 CO 0.02 -1.15 0.05 0.08 0.00 0.00 0.00 175.76 174.75 3iaf s VAL 544 N 3.02 0.08 0.40 0.00 1.01 -0.77 -4.44 120.40 119.70 3iaf s VAL 544 Ca 0.71 -0.68 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 3iaf s VAL 544 Cb -0.36 -0.30 -0.09 0.00 0.00 0.00 0.00 36.38 35.64 3iaf s VAL 544 CO 0.30 -0.37 1.26 0.00 0.00 0.00 0.00 175.10 176.29 3iaf s ALA 545 N -1.18 3.25 -0.19 5.51 0.00 0.64 -4.33 121.76 125.46 3iaf s ALA 545 Ca -0.13 1.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.97 3iaf s ALA 545 Cb -0.08 -3.45 -0.22 0.00 0.00 0.00 0.00 23.12 19.37 3iaf s ALA 545 CO 0.00 -0.72 0.08 -0.11 0.00 0.00 0.00 175.76 175.01 3iaf n LEU 546 N 0.19 2.71 -0.23 0.00 7.94 -1.26 -4.65 117.00 121.70 3iaf n LEU 546 Ca 0.03 0.04 0.02 0.00 -1.11 0.00 0.00 56.01 54.99 3iaf n LEU 546 Cb 0.44 -0.96 0.14 0.00 0.53 0.00 0.00 43.42 43.57 3iaf n LEU 546 CO 0.55 0.88 1.01 0.44 -1.11 0.00 0.00 177.39 179.16 3iaf h ASP 547 N 0.03 0.30 -2.66 1.96 3.45 -1.97 -3.44 116.42 114.08 3iaf h ASP 547 Ca -0.50 0.08 -0.60 0.00 0.43 0.00 0.00 57.03 56.45 3iaf h ASP 547 Cb 1.98 0.05 0.10 0.00 -0.56 0.00 0.00 39.33 40.90 3iaf h ASP 547 CO 0.00 0.16 0.28 -0.81 -1.57 0.00 0.00 179.24 177.31 3iaf n PRO 548 N -4.96 1.60 -3.75 3.56 -0.04 -1.26 -4.98 135.00 125.17 3iaf n PRO 548 Ca 0.11 0.56 -0.38 0.00 -0.04 0.00 0.00 63.50 63.75 3iaf n PRO 548 Cb 0.31 -2.03 -0.12 0.00 -0.04 0.00 0.00 33.50 31.62 3iaf n PRO 548 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3iaf s ILE 549 N -0.90 3.85 0.59 0.52 1.01 -1.26 -5.10 121.20 119.91 3iaf s ILE 549 Ca 0.60 -1.04 -0.20 0.00 0.00 0.00 0.00 60.65 60.00 3iaf s ILE 549 Cb -0.67 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 3iaf s ILE 549 CO 0.59 -0.14 1.32 -2.16 0.00 0.00 0.00 174.94 174.55 3iaf s PRO 550 N 1.43 2.92 0.29 2.79 0.04 -1.26 -4.87 135.00 136.33 3iaf s PRO 550 Ca -0.01 2.13 0.04 0.00 0.04 0.00 0.00 61.00 63.20 3iaf s PRO 550 Cb -0.19 -2.08 0.69 0.00 0.04 0.00 0.00 34.50 32.96 3iaf s PRO 550 CO 0.03 -1.33 1.76 -1.35 0.04 0.00 0.00 177.00 176.14 3iaf h PRO 551 N 1.08 0.65 -0.61 0.56 0.11 -1.99 -1.56 132.00 130.24 3iaf h PRO 551 Ca -0.51 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 65.65 3iaf h PRO 551 Cb 1.31 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 3iaf h PRO 551 CO 0.56 0.43 0.41 0.93 -0.21 0.00 0.00 178.00 180.11 3iaf h GLU 552 N 0.66 0.48 -0.02 1.05 4.39 -1.91 -1.45 114.58 117.79 3iaf h GLU 552 Ca 0.55 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.22 3iaf h GLU 552 Cb 0.87 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3iaf h GLU 552 CO -0.40 0.32 0.01 0.93 -1.16 0.00 0.00 179.01 178.71 3iaf h GLU 553 N 0.50 0.03 -0.79 2.33 5.08 -1.64 -3.17 114.58 116.92 3iaf h GLU 553 Ca 0.28 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.71 3iaf h GLU 553 Cb 0.44 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 3iaf h GLU 553 CO -0.08 0.12 0.51 -0.07 -1.00 0.00 0.00 179.01 178.49 3iaf h LEU 554 N -0.07 0.70 0.00 1.33 3.38 -1.26 -3.51 115.31 115.88 3iaf h LEU 554 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3iaf h LEU 554 Cb 0.10 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3iaf h LEU 554 CO -0.00 0.44 0.00 -0.38 0.09 0.00 0.00 178.44 178.59