#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 4.20 0.10 0.00 -1.94 -1.26 -1.58 119.30 118.82 3iaf s MET 3 Ca 0.00 0.02 0.08 0.00 -1.71 0.00 0.00 55.69 54.08 3iaf s MET 3 Cb 0.00 -3.41 -0.03 0.00 2.01 0.00 0.00 34.83 33.39 3iaf s MET 3 CO 0.00 0.28 -0.20 0.96 -0.01 0.00 0.00 175.02 176.05 3iaf s ILE 4 N 0.35 1.62 1.05 2.53 -4.36 -1.06 -4.94 121.20 116.40 3iaf s ILE 4 Ca 0.15 -1.51 -0.15 0.00 -0.26 0.00 0.00 60.65 58.87 3iaf s ILE 4 Cb -0.13 -1.48 0.21 0.00 1.25 0.00 0.00 42.46 42.32 3iaf s ILE 4 CO 0.03 -0.09 1.14 0.42 0.24 0.00 0.00 174.94 176.68 3iaf s THR 5 N -1.18 1.85 -0.04 8.37 -4.23 -1.26 -2.05 115.64 117.10 3iaf s THR 5 Ca 0.05 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.31 3iaf s THR 5 Cb -0.10 -2.62 -0.19 0.00 1.34 0.00 0.00 72.50 70.93 3iaf s THR 5 CO 0.04 0.00 1.11 1.23 -0.54 0.00 0.00 174.62 176.46 3iaf h GLY 6 N -2.03 -0.11 2.00 3.99 0.00 -0.96 -2.98 103.07 102.98 3iaf h GLY 6 Ca -0.49 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 3iaf h GLY 6 CO 0.48 -0.04 -0.08 -1.33 0.00 0.00 0.00 176.54 175.57 3iaf h GLY 7 N -0.67 0.00 1.12 4.60 0.00 -1.58 -1.61 103.07 104.93 3iaf h GLY 7 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.33 3iaf h GLY 7 CO 0.02 0.00 0.57 -2.09 0.00 0.00 0.00 176.54 175.04 3iaf h GLU 8 N 0.00 1.12 -0.57 4.80 4.22 -1.67 -2.08 114.58 120.40 3iaf h GLU 8 Ca -0.00 -0.07 -0.09 0.00 0.08 0.00 0.00 59.36 59.28 3iaf h GLU 8 Cb 0.17 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3iaf h GLU 8 CO 0.01 0.74 0.00 -0.07 -2.18 0.00 0.00 179.01 177.51 3iaf h LEU 9 N 1.15 0.98 0.19 1.64 3.38 -1.14 -2.95 115.31 118.55 3iaf h LEU 9 Ca 0.32 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3iaf h LEU 9 Cb -0.09 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 3iaf h LEU 9 CO -0.08 1.04 -0.34 0.58 0.09 0.00 0.00 178.44 179.74 3iaf h VAL 10 N 0.88 0.29 -0.98 1.22 2.07 -1.19 -1.73 116.25 116.82 3iaf h VAL 10 Ca 0.16 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.71 3iaf h VAL 10 Cb 0.54 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3iaf h VAL 10 CO 0.03 0.00 0.64 0.58 0.02 0.00 0.00 177.57 178.84 3iaf h VAL 11 N -0.61 1.21 -0.48 2.57 2.07 -1.48 0.59 116.25 120.11 3iaf h VAL 11 Ca 0.01 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 3iaf h VAL 11 Cb 0.61 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3iaf h VAL 11 CO -0.15 0.23 0.08 0.03 0.02 0.00 0.00 177.57 177.78 3iaf h ARG 12 N 1.28 0.80 0.00 1.57 3.08 -1.34 -1.75 114.38 118.01 3iaf h ARG 12 Ca 0.38 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 3iaf h ARG 12 Cb -0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3iaf h ARG 12 CO -0.10 0.80 -0.30 1.15 -1.07 0.00 0.00 179.97 180.45 3iaf h THR 13 N 0.67 1.01 -0.13 2.04 2.02 -0.85 -3.00 112.91 114.67 3iaf h THR 13 Ca 0.15 -1.12 -0.18 0.00 0.77 0.00 0.00 66.41 66.03 3iaf h THR 13 Cb 0.40 1.64 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3iaf h THR 13 CO 0.01 0.30 -0.65 -0.07 0.37 0.00 0.00 175.52 175.48 3iaf h LEU 14 N 0.00 0.57 -0.06 2.58 3.38 -0.34 -3.15 115.31 118.29 3iaf h LEU 14 Ca -0.00 -0.34 -0.24 0.00 0.09 0.00 0.00 57.88 57.39 3iaf h LEU 14 Cb 0.62 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3iaf h LEU 14 CO 0.04 1.07 -1.06 0.40 0.09 0.00 0.00 178.44 178.98 3iaf h ILE 15 N 0.36 1.48 0.00 1.22 2.04 -1.24 -2.92 117.51 118.44 3iaf h ILE 15 Ca -0.02 -2.80 -0.01 0.00 1.00 0.00 0.00 64.86 63.04 3iaf h ILE 15 Cb 1.22 2.68 -0.00 0.00 -0.74 0.00 0.00 36.82 39.97 3iaf h ILE 15 CO 0.12 0.82 -0.04 0.50 0.00 0.00 0.00 178.15 179.55 3iaf h LYS 16 N 0.13 0.00 0.00 2.37 3.64 -1.61 0.95 116.57 122.05 3iaf h LYS 16 Ca -0.09 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 3iaf h LYS 16 Cb 1.74 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.55 3iaf h LYS 16 CO 0.17 0.04 -0.33 0.00 -2.27 0.00 0.00 179.45 177.07 3iaf h ALA 17 N 1.96 1.07 0.00 5.00 0.00 -1.47 -3.40 119.26 122.42 3iaf h ALA 17 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3iaf h ALA 17 Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3iaf h ALA 17 CO 0.01 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.08 3iaf n GLY 18 N 0.03 0.87 3.78 0.00 0.00 0.33 -4.98 105.19 105.22 3iaf n GLY 18 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3iaf n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iaf s VAL 19 N -2.04 3.74 0.00 1.61 0.11 -1.22 -4.98 120.40 117.62 3iaf s VAL 19 Ca 0.00 1.30 0.00 0.00 -2.93 0.00 0.00 61.98 60.35 3iaf s VAL 19 Cb 0.00 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.20 3iaf s VAL 19 CO 0.00 -0.02 0.06 -0.62 -3.33 0.00 0.00 175.10 171.19 3iaf n GLU 20 N -0.17 5.44 -3.89 1.54 1.02 -1.26 -4.67 120.64 118.65 3iaf n GLU 20 Ca 0.05 -0.06 -0.09 0.00 -0.02 0.00 0.00 57.16 57.04 3iaf n GLU 20 Cb 0.50 -0.53 -0.08 0.00 -0.02 0.00 0.00 31.44 31.31 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 -0.80 0.19 0.04 -0.32 3.76 -1.26 -4.27 115.29 112.63 3iaf s HIS 21 Ca 0.00 -0.59 0.03 0.00 -0.15 0.00 0.00 55.06 54.34 3iaf s HIS 21 Cb 0.00 -0.10 -0.02 0.00 1.11 0.00 0.00 32.58 33.57 3iaf s HIS 21 CO 0.00 -0.50 -0.09 -0.51 -0.85 0.00 0.00 174.74 172.80 3iaf s LEU 22 N -2.71 2.20 -0.13 0.89 1.02 -0.61 -4.60 118.68 114.73 3iaf s LEU 22 Ca 0.03 -0.46 0.02 0.00 0.02 0.00 0.00 54.13 53.75 3iaf s LEU 22 Cb 0.04 -0.27 0.01 0.00 0.02 0.00 0.00 46.19 45.99 3iaf s LEU 22 CO -0.10 -0.11 -0.19 -0.36 0.02 0.00 0.00 176.35 175.62 3iaf s PHE 23 N -1.06 2.34 0.00 0.29 0.08 -0.87 -0.18 117.98 118.58 3iaf s PHE 23 Ca -0.05 -1.15 0.00 0.00 0.12 0.00 0.00 56.93 55.84 3iaf s PHE 23 Cb -0.08 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.74 3iaf s PHE 23 CO 0.01 -0.56 0.00 0.41 -0.10 0.00 0.00 175.22 174.98 3iaf n GLY 24 N 4.16 2.05 3.19 4.36 0.00 -1.19 -0.32 105.19 117.43 3iaf n GLY 24 Ca -0.19 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 0.92 0.23 0.99 1.98 -1.20 -1.56 118.68 120.04 3iaf s LEU 25 Ca 0.00 0.41 -0.30 0.00 -2.89 0.00 0.00 54.13 51.35 3iaf s LEU 25 Cb 0.00 1.05 -0.09 0.00 0.66 0.00 0.00 46.19 47.81 3iaf s LEU 25 CO 0.00 -0.21 1.23 -2.28 -1.89 0.00 0.00 176.35 173.20 3iaf s HIS 26 N -0.32 3.34 0.00 5.38 5.65 -1.26 -4.37 115.29 123.72 3iaf s HIS 26 Ca -0.04 1.42 0.00 0.00 0.25 0.00 0.00 55.06 56.68 3iaf s HIS 26 Cb -0.03 -3.49 0.00 0.00 -1.18 0.00 0.00 32.58 27.87 3iaf s HIS 26 CO 0.01 -1.38 0.00 0.41 -0.65 0.00 0.00 174.74 173.13 3iaf n GLY 27 N 1.82 5.34 3.04 1.59 0.00 -1.26 -4.86 105.19 110.87 3iaf n GLY 27 Ca 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.87 1.61 8.25 -1.26 -1.72 115.22 121.23 3iaf n HIS 29 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.54 3iaf n HIS 29 Cb 0.00 -0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.01 1.78 0.28 1.59 -5.35 -1.26 -4.63 119.36 111.77 3iaf n ILE 30 Ca 0.00 -1.99 0.15 0.00 -0.27 0.00 0.00 62.75 60.64 3iaf n ILE 30 Cb 0.00 -0.11 0.83 0.00 -1.74 0.00 0.00 39.64 38.62 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 0.30 0.00 -0.65 7.28 3.58 -1.77 -1.47 116.42 123.68 3iaf h ASP 31 Ca 0.00 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.52 3iaf h ASP 31 Cb 0.98 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.99 3iaf h ASP 31 CO 0.03 0.07 0.43 0.00 -2.88 0.00 0.00 179.24 176.89 3iaf h THR 32 N 0.00 1.00 0.05 2.25 1.03 -1.88 0.20 112.91 115.55 3iaf h THR 32 Ca -0.00 -0.22 -0.00 0.00 -0.01 0.00 0.00 66.41 66.18 3iaf h THR 32 Cb 0.26 0.30 0.00 0.00 -1.07 0.00 0.00 68.15 67.65 3iaf h THR 32 CO 0.01 0.12 -0.02 0.40 -0.01 0.00 0.00 175.52 176.01 3iaf h ILE 33 N 0.64 1.31 -0.86 0.00 1.08 -1.53 -3.11 117.51 115.04 3iaf h ILE 33 Ca 0.28 -1.51 0.20 0.00 -0.39 0.00 0.00 64.86 63.44 3iaf h ILE 33 Cb 0.29 2.26 -0.12 0.00 -3.07 0.00 0.00 36.82 36.18 3iaf h ILE 33 CO -0.09 0.36 0.36 -0.26 -0.69 0.00 0.00 178.15 177.83 3iaf h PHE 34 N -0.78 0.60 -0.09 1.37 -1.00 -1.15 0.92 116.94 116.81 3iaf h PHE 34 Ca -0.01 0.04 -0.23 0.00 2.81 0.00 0.00 57.97 60.59 3iaf h PHE 34 Cb 0.64 -0.13 0.01 0.00 3.61 0.00 0.00 35.95 40.08 3iaf h PHE 34 CO 0.15 -0.02 -0.84 1.96 -1.61 0.00 0.00 178.31 177.95 3iaf h GLN 35 N 0.41 0.65 -0.02 1.51 1.08 -0.75 -2.39 115.11 115.61 3iaf h GLN 35 Ca 0.52 -0.58 -0.08 0.00 -1.45 0.00 0.00 58.65 57.05 3iaf h GLN 35 Cb 0.93 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.48 3iaf h GLN 35 CO -0.50 1.20 -0.38 0.00 -0.95 0.00 0.00 178.83 178.20 3iaf h ALA 36 N 0.63 1.34 -0.15 3.87 0.00 -1.27 -3.03 119.26 120.64 3iaf h ALA 36 Ca -0.07 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 3iaf h ALA 36 Cb 1.47 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 3iaf h ALA 36 CO 0.16 0.49 -0.61 0.00 0.00 0.00 0.00 179.25 179.30 3iaf h LEU 38 N 0.39 0.45 -3.89 0.00 6.46 -1.29 -2.59 115.31 114.85 3iaf h LEU 38 Ca -0.01 0.07 -0.55 0.00 -0.12 0.00 0.00 57.88 57.27 3iaf h LEU 38 Cb 1.16 -0.00 -0.29 0.00 -0.73 0.00 0.00 40.66 40.80 3iaf h LEU 38 CO 0.11 0.24 0.49 -0.90 -0.62 0.00 0.00 178.44 177.76 3iaf n ASP 39 N -4.88 5.55 0.00 1.25 5.75 -1.25 -3.50 116.55 119.47 3iaf n ASP 39 Ca 0.12 -3.73 0.00 0.00 -0.01 0.00 0.00 54.79 51.17 3iaf n ASP 39 Cb 0.32 -0.82 0.00 0.00 -1.03 0.00 0.00 41.12 39.58 3iaf n ASP 39 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3iaf n HIS 40 N -0.99 0.00 -4.02 2.11 8.25 -1.05 -5.01 115.22 114.51 3iaf n HIS 40 Ca 0.56 -0.14 -0.27 0.00 -0.26 0.00 0.00 57.72 57.61 3iaf n HIS 40 Cb 1.04 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 32.11 3iaf n HIS 40 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3iaf n ASP 41 N -0.14 -0.46 -4.51 0.41 4.64 -1.21 -4.97 116.55 110.31 3iaf n ASP 41 Ca 0.00 -1.04 -0.42 0.00 -1.38 0.00 0.00 54.79 51.95 3iaf n ASP 41 Cb 0.36 -2.87 -0.08 0.00 -1.04 0.00 0.00 41.12 37.49 3iaf n ASP 41 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3iaf s VAL 42 N -3.94 5.02 -0.24 5.18 1.01 -1.00 -5.04 120.40 121.39 3iaf s VAL 42 Ca 0.08 -0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 3iaf s VAL 42 Cb -0.04 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 3iaf s VAL 42 CO 0.90 -0.39 1.38 -2.84 0.00 0.00 0.00 175.10 174.16 3iaf s PRO 43 N 2.33 3.97 -0.44 2.72 0.02 -1.26 -4.63 135.00 137.72 3iaf s PRO 43 Ca 0.16 1.48 -0.18 0.00 0.02 0.00 0.00 61.00 62.48 3iaf s PRO 43 Cb -0.16 -3.89 0.03 0.00 0.02 0.00 0.00 34.50 30.50 3iaf s PRO 43 CO 0.15 -1.05 0.51 0.42 -0.33 0.00 0.00 177.00 176.69 3iaf s ILE 44 N 4.34 5.00 -0.93 2.83 1.01 -1.26 -1.58 121.20 130.62 3iaf s ILE 44 Ca 0.60 -0.29 -0.21 0.00 0.00 0.00 0.00 60.65 60.75 3iaf s ILE 44 Cb -0.20 -4.12 0.10 0.00 0.01 0.00 0.00 42.46 38.25 3iaf s ILE 44 CO 0.23 -0.52 1.21 -0.63 0.00 0.00 0.00 174.94 175.22 3iaf s ILE 45 N 2.34 4.43 -0.27 2.92 1.01 0.75 -4.93 121.20 127.45 3iaf s ILE 45 Ca 0.15 -1.18 -0.29 0.00 0.00 0.00 0.00 60.65 59.33 3iaf s ILE 45 Cb -0.17 -4.86 0.00 0.00 0.01 0.00 0.00 42.46 37.45 3iaf s ILE 45 CO 0.14 -1.64 1.18 1.51 0.00 0.00 0.00 174.94 176.14 3iaf s ASP 46 N 4.03 6.88 0.13 3.58 1.47 -1.26 -3.19 116.67 128.31 3iaf s ASP 46 Ca 0.36 1.29 0.00 0.00 1.18 0.00 0.00 52.55 55.37 3iaf s ASP 46 Cb -0.05 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 39.99 3iaf s ASP 46 CO -0.07 -0.89 0.00 0.35 0.68 0.00 0.00 175.17 175.24 3iaf n THR 47 N 5.79 0.00 -0.01 2.11 -2.24 -0.60 -4.90 114.28 114.42 3iaf n THR 47 Ca 0.13 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.93 3iaf n THR 47 Cb 0.46 -1.81 0.05 0.00 -2.10 0.00 0.00 70.33 66.93 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 -0.16 2.22 -3.57 -0.78 5.12 -1.26 -4.89 116.66 113.34 3iaf n ARG 48 Ca 0.00 -1.51 -0.02 0.00 -1.93 0.00 0.00 57.85 54.40 3iaf n ARG 48 Cb 0.00 -1.10 -0.06 0.00 -1.16 0.00 0.00 32.46 30.14 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 -0.86 -0.79 0.40 -1.55 2.46 -1.26 -5.04 115.29 108.65 3iaf s HIS 49 Ca 0.08 1.47 0.12 0.00 0.47 0.00 0.00 55.06 57.20 3iaf s HIS 49 Cb 0.04 0.47 0.92 0.00 -0.13 0.00 0.00 32.58 33.89 3iaf s HIS 49 CO 0.06 -0.39 1.92 0.93 -2.47 0.00 0.00 174.74 174.79 3iaf h GLU 50 N 6.89 0.54 -0.73 2.88 3.07 -1.91 0.94 114.58 126.26 3iaf h GLU 50 Ca -0.23 -0.03 0.09 0.00 -0.50 0.00 0.00 59.36 58.68 3iaf h GLU 50 Cb 1.16 -0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 28.88 3iaf h GLU 50 CO 0.14 0.36 0.38 0.00 -1.40 0.00 0.00 179.01 178.49 3iaf h ALA 51 N 1.63 1.02 -0.37 3.43 0.00 -1.89 -1.85 119.26 121.23 3iaf h ALA 51 Ca 0.37 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 3iaf h ALA 51 Cb 0.66 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3iaf h ALA 51 CO -0.14 -0.01 0.14 0.00 0.00 0.00 0.00 179.25 179.25 3iaf h ALA 52 N 1.43 0.48 -0.62 0.00 0.00 -1.15 -2.09 119.26 117.31 3iaf h ALA 52 Ca 0.36 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3iaf h ALA 52 Cb 0.36 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3iaf h ALA 52 CO -0.26 0.09 0.34 0.00 0.00 0.00 0.00 179.25 179.42 3iaf h ALA 53 N 0.99 0.83 -0.02 0.00 0.00 -1.13 0.25 119.26 120.16 3iaf h ALA 53 Ca 0.12 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3iaf h ALA 53 Cb 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3iaf h ALA 53 CO -0.01 0.01 0.01 0.78 0.00 0.00 0.00 179.25 180.05 3iaf h GLY 54 N 0.64 0.03 1.84 0.00 0.00 -1.14 -0.42 103.07 104.03 3iaf h GLY 54 Ca 0.28 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 3iaf h GLY 54 CO -0.18 0.01 -0.05 0.45 0.00 0.00 0.00 176.54 176.78 3iaf h HIS 55 N -0.02 0.20 -0.23 5.60 3.86 -1.21 -1.93 115.15 121.41 3iaf h HIS 55 Ca 0.01 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 3iaf h HIS 55 Cb 0.06 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3iaf h HIS 55 CO -0.06 0.26 -0.28 0.00 0.86 0.00 0.00 177.93 178.70 3iaf h ALA 56 N 1.76 1.08 -0.20 2.45 0.00 -0.41 0.33 119.26 124.27 3iaf h ALA 56 Ca 0.05 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 3iaf h ALA 56 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3iaf h ALA 56 CO 0.01 0.57 -0.24 0.00 0.00 0.00 0.00 179.25 179.59 3iaf h ALA 57 N 1.30 1.22 0.22 0.00 0.00 -0.38 -1.74 119.26 119.88 3iaf h ALA 57 Ca 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3iaf h ALA 57 Cb 0.70 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3iaf h ALA 57 CO 0.05 0.51 -0.11 0.93 0.00 0.00 0.00 179.25 180.64 3iaf h GLU 58 N 0.33 -0.29 -0.08 0.00 5.08 -0.73 -2.77 114.58 116.12 3iaf h GLU 58 Ca 0.05 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3iaf h GLU 58 Cb 0.61 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 3iaf h GLU 58 CO 0.04 0.01 -0.46 0.78 -1.00 0.00 0.00 179.01 178.37 3iaf h GLY 59 N -0.58 -0.86 -0.23 -3.84 0.00 -0.86 0.33 103.07 97.03 3iaf h GLY 59 Ca -0.03 0.57 0.21 0.00 0.00 0.00 0.00 47.33 48.08 3iaf h GLY 59 CO 0.05 -0.23 0.31 -1.82 0.00 0.00 0.00 176.54 174.85 3iaf h TYR 60 N -0.56 0.50 0.01 5.60 5.03 -0.91 0.99 116.97 127.63 3iaf h TYR 60 Ca 0.05 0.04 -0.20 0.00 2.58 0.00 0.00 58.73 61.21 3iaf h TYR 60 Cb 0.66 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.84 3iaf h TYR 60 CO -0.50 -0.09 -0.91 0.00 -1.32 0.00 0.00 178.16 175.33 3iaf h ALA 61 N 1.71 0.49 0.20 1.82 0.00 -1.06 -2.92 119.26 119.50 3iaf h ALA 61 Ca 0.53 -0.78 -0.28 0.00 0.00 0.00 0.00 54.91 54.38 3iaf h ALA 61 Cb 1.00 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.71 3iaf h ALA 61 CO -0.56 1.02 -1.26 0.00 0.00 0.00 0.00 179.25 178.45 3iaf h ARG 62 N 0.05 0.42 -0.06 0.00 3.08 0.12 -2.51 114.38 115.49 3iaf h ARG 62 Ca -0.03 -0.72 -0.01 0.00 0.07 0.00 0.00 59.98 59.28 3iaf h ARG 62 Cb 1.58 0.27 -0.00 0.00 0.08 0.00 0.00 29.97 31.89 3iaf h ARG 62 CO 0.13 1.35 -0.02 0.00 -1.07 0.00 0.00 179.97 180.36 3iaf h ALA 63 N 0.11 0.08 -0.63 0.04 0.00 0.84 -3.27 119.26 116.43 3iaf h ALA 63 Ca -0.23 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3iaf h ALA 63 Cb 1.94 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3iaf h ALA 63 CO 0.21 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3iaf n GLY 64 N -0.05 2.77 4.13 0.00 0.00 -1.10 -4.87 105.19 106.08 3iaf n GLY 64 Ca -0.07 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 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 1.11 -1.73 -3.39 4.61 0.00 -1.04 -4.97 120.51 115.10 3iaf n ALA 65 Ca 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3iaf n ALA 65 Cb 0.82 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 -4.41 2.11 -3.13 0.00 0.00 -0.97 -4.94 118.16 106.82 3iaf n LYS 66 Ca -0.17 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.75 3iaf n LYS 66 Cb 0.61 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.59 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 4.45 0.09 -5.58 2.96 -1.26 -4.44 118.68 114.90 3iaf s LEU 67 Ca 0.00 1.30 0.01 0.00 -0.22 0.00 0.00 54.13 55.22 3iaf s LEU 67 Cb 0.00 -3.04 -0.04 0.00 0.50 0.00 0.00 46.19 43.61 3iaf s LEU 67 CO 0.00 0.10 0.21 -0.83 -1.32 0.00 0.00 176.35 174.51 3iaf s GLY 68 N -0.33 2.03 -0.10 7.98 0.00 -0.35 -4.69 107.32 111.86 3iaf s GLY 68 Ca 0.33 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 44.13 3iaf s GLY 68 CO 0.20 -0.91 -0.08 0.14 0.00 0.00 0.00 173.10 172.45 3iaf s VAL 69 N -1.56 0.96 -0.02 1.40 1.01 -1.26 0.24 120.40 121.17 3iaf s VAL 69 Ca 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.04 3iaf s VAL 69 Cb -0.12 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3iaf s VAL 69 CO 0.27 0.35 0.02 0.00 0.00 0.00 0.00 175.10 175.74 3iaf s ALA 70 N 1.48 3.36 -0.30 5.51 0.00 0.22 -2.05 121.76 129.99 3iaf s ALA 70 Ca 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 3iaf s ALA 70 Cb -0.13 -1.43 0.10 0.00 0.00 0.00 0.00 23.12 21.66 3iaf s ALA 70 CO -0.05 0.65 0.13 -1.17 0.00 0.00 0.00 175.76 175.31 3iaf s LEU 71 N -1.49 0.96 0.25 0.00 1.98 0.56 -0.15 118.68 120.79 3iaf s LEU 71 Ca 0.19 -1.40 0.10 0.00 -2.89 0.00 0.00 54.13 50.13 3iaf s LEU 71 Cb -0.12 -0.47 -0.04 0.00 0.66 0.00 0.00 46.19 46.22 3iaf s LEU 71 CO 0.10 -0.43 -0.10 0.68 -1.89 0.00 0.00 176.35 174.71 3iaf s VAL 72 N 1.95 3.03 0.96 1.68 -7.23 0.07 -3.25 120.40 117.61 3iaf s VAL 72 Ca 0.09 -2.02 -0.15 0.00 -1.81 0.00 0.00 61.98 58.09 3iaf s VAL 72 Cb -0.17 -2.58 0.18 0.00 0.56 0.00 0.00 36.38 34.38 3iaf s VAL 72 CO -0.33 -0.31 1.27 0.28 -0.31 0.00 0.00 175.10 175.70 3iaf s THR 73 N -2.21 1.96 0.76 5.32 -1.32 -1.26 -1.95 115.64 116.94 3iaf s THR 73 Ca 0.29 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.65 3iaf s THR 73 Cb -0.07 -2.94 0.05 0.00 -1.51 0.00 0.00 72.50 68.04 3iaf s THR 73 CO 0.17 0.00 1.11 0.00 -2.21 0.00 0.00 174.62 173.68 3iaf s ALA 74 N -3.72 2.22 0.00 11.08 0.00 -1.21 -2.24 121.76 127.89 3iaf s ALA 74 Ca 0.71 0.39 0.00 0.00 0.00 0.00 0.00 51.96 53.06 3iaf s ALA 74 Cb -0.06 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3iaf s ALA 74 CO 0.53 -1.76 0.00 0.41 0.00 0.00 0.00 175.76 174.94 3iaf n GLY 75 N -0.85 0.60 0.27 0.00 0.00 -1.21 -2.31 105.19 101.70 3iaf n GLY 75 Ca 0.10 0.64 0.11 0.00 0.00 0.00 0.00 46.02 46.87 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 0.97 -0.02 0.00 -1.88 -1.94 103.07 100.19 3iaf h GLY 76 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3iaf h GLY 76 CO 0.00 0.00 -0.06 -1.33 0.00 0.00 0.00 176.54 175.15 3iaf h GLY 77 N 0.03 0.82 0.75 4.60 0.00 -1.51 -2.66 103.07 105.10 3iaf h GLY 77 Ca -0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 3iaf h GLY 77 CO 0.00 0.60 0.01 -2.75 0.00 0.00 0.00 176.54 174.39 3iaf h PHE 78 N 0.58 0.07 0.00 5.60 3.57 -0.90 -3.23 116.94 122.63 3iaf h PHE 78 Ca 0.11 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3iaf h PHE 78 Cb 0.57 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3iaf h PHE 78 CO 0.05 0.31 -0.24 1.79 -2.23 0.00 0.00 178.31 177.98 3iaf h THR 79 N -0.19 1.05 0.00 4.41 1.35 -1.47 -0.46 112.91 117.61 3iaf h THR 79 Ca 0.01 -0.87 -0.01 0.00 -0.55 0.00 0.00 66.41 64.99 3iaf h THR 79 Cb 0.28 1.48 -0.00 0.00 -1.73 0.00 0.00 68.15 68.18 3iaf h THR 79 CO 0.00 0.24 -0.06 0.78 -0.25 0.00 0.00 175.52 176.23 3iaf h ASN 80 N 0.00 0.00 -0.03 5.36 2.35 -1.52 -2.93 115.58 118.82 3iaf h ASN 80 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3iaf h ASN 80 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3iaf h ASN 80 CO 0.03 0.06 0.00 0.00 -1.65 0.00 0.00 177.43 175.87 3iaf n ALA 81 N -2.13 2.56 -0.19 -0.83 0.00 -0.19 -3.04 120.51 116.70 3iaf n ALA 81 Ca 0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 53.44 52.91 3iaf n ALA 81 Cb 0.36 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.70 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 2.51 1.15 0.12 0.00 2.07 -1.46 -1.39 116.25 119.25 3iaf h VAL 82 Ca 0.00 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3iaf h VAL 82 Cb 0.53 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3iaf h VAL 82 CO 0.00 0.15 -0.06 0.74 0.02 0.00 0.00 177.57 178.42 3iaf h THR 83 N 0.74 0.93 -0.61 2.57 2.02 -1.82 0.10 112.91 116.83 3iaf h THR 83 Ca 0.20 -0.15 0.12 0.00 0.77 0.00 0.00 66.41 67.35 3iaf h THR 83 Cb -0.06 1.02 -0.12 0.00 -1.74 0.00 0.00 68.15 67.25 3iaf h THR 83 CO -0.04 0.04 -0.20 -0.65 0.37 0.00 0.00 175.52 175.03 3iaf h PRO 84 N -0.22 -0.05 -0.13 6.66 0.11 -1.81 0.17 132.00 136.73 3iaf h PRO 84 Ca -0.02 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.13 3iaf h PRO 84 Cb 0.18 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 3iaf h PRO 84 CO 0.03 -0.03 -0.08 0.82 -0.21 0.00 0.00 178.00 178.53 3iaf h ILE 85 N -0.05 0.76 -0.35 4.15 2.04 -0.85 0.11 117.51 123.33 3iaf h ILE 85 Ca 0.28 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.15 3iaf h ILE 85 Cb 0.49 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3iaf h ILE 85 CO -0.65 0.00 0.22 0.00 0.00 0.00 0.00 178.15 177.71 3iaf h ALA 86 N 1.04 0.44 -0.39 1.87 0.00 -0.42 -0.33 119.26 121.46 3iaf h ALA 86 Ca 0.08 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3iaf h ALA 86 Cb 0.19 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3iaf h ALA 86 CO -0.18 -0.12 0.20 -0.97 0.00 0.00 0.00 179.25 178.18 3iaf h ASN 87 N 0.44 0.29 -0.65 0.00 -1.24 -0.39 -2.14 115.58 111.89 3iaf h ASN 87 Ca 0.13 0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.16 3iaf h ASN 87 Cb -0.03 -0.04 -0.03 0.00 0.73 0.00 0.00 38.32 38.95 3iaf h ASN 87 CO -0.04 0.21 0.43 0.00 -1.29 0.00 0.00 177.43 176.74 3iaf h ALA 88 N 1.20 1.53 0.03 1.57 0.00 -0.48 -0.99 119.26 122.11 3iaf h ALA 88 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3iaf h ALA 88 Cb 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3iaf h ALA 88 CO -0.11 0.44 -0.01 2.35 0.00 0.00 0.00 179.25 181.91 3iaf h TRP 89 N 0.89 -0.03 -0.01 0.00 2.91 -0.44 -1.94 115.95 117.33 3iaf h TRP 89 Ca 0.24 -0.00 -0.16 0.00 1.13 0.00 0.00 58.89 60.10 3iaf h TRP 89 Cb -0.10 0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 28.55 3iaf h TRP 89 CO 0.00 0.10 -0.75 -0.07 -1.03 0.00 0.00 178.44 176.69 3iaf h LEU 90 N -0.16 0.11 -0.01 0.65 3.38 -1.30 -3.18 115.31 114.80 3iaf h LEU 90 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3iaf h LEU 90 Cb 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3iaf h LEU 90 CO 0.01 0.81 -0.04 0.47 0.09 0.00 0.00 178.44 179.78 3iaf n ASP 91 N -3.70 0.05 -3.49 -0.43 8.00 -0.39 -4.71 116.55 111.88 3iaf n ASP 91 Ca -0.02 0.32 -0.18 0.00 0.71 0.00 0.00 54.79 55.62 3iaf n ASP 91 Cb 0.72 -0.40 0.08 0.00 -0.02 0.00 0.00 41.12 41.50 3iaf n ASP 91 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3iaf n ARG 92 N -1.45 -6.51 -4.57 -1.24 1.74 -0.80 -4.91 116.66 98.92 3iaf n ARG 92 Ca 0.08 0.82 -0.34 0.00 -0.77 0.00 0.00 57.85 57.64 3iaf n ARG 92 Cb 0.32 -5.78 -0.12 0.00 -1.02 0.00 0.00 32.46 25.86 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 -3.40 3.64 -0.56 0.55 -1.32 -0.80 -4.33 115.64 109.43 3iaf s THR 93 Ca 0.06 -0.47 -0.28 0.00 -1.21 0.00 0.00 61.69 59.79 3iaf s THR 93 Cb -0.03 -2.54 0.02 0.00 -1.51 0.00 0.00 72.50 68.45 3iaf s THR 93 CO 0.74 0.54 1.28 -2.16 -2.21 0.00 0.00 174.62 172.81 3iaf s PRO 94 N -0.09 3.46 -0.03 7.08 0.04 -1.26 -3.14 135.00 141.05 3iaf s PRO 94 Ca 0.01 0.37 0.01 0.00 0.04 0.00 0.00 61.00 61.42 3iaf s PRO 94 Cb -0.13 -4.05 0.02 0.00 0.04 0.00 0.00 34.50 30.38 3iaf s PRO 94 CO 0.03 -1.75 -0.02 0.08 0.04 0.00 0.00 177.00 175.38 3iaf s VAL 95 N 5.33 0.32 -0.46 -0.36 1.01 -1.25 -1.21 120.40 123.77 3iaf s VAL 95 Ca 0.47 -0.02 -0.17 0.00 0.00 0.00 0.00 61.98 62.26 3iaf s VAL 95 Cb -0.09 -0.37 0.05 0.00 0.00 0.00 0.00 36.38 35.97 3iaf s VAL 95 CO 0.26 0.16 0.45 -0.22 0.00 0.00 0.00 175.10 175.75 3iaf s LEU 96 N 0.82 5.20 -0.57 3.92 1.98 0.14 -1.72 118.68 128.45 3iaf s LEU 96 Ca -0.09 -1.00 -0.20 0.00 -2.89 0.00 0.00 54.13 49.95 3iaf s LEU 96 Cb -0.12 -2.30 0.07 0.00 0.66 0.00 0.00 46.19 44.50 3iaf s LEU 96 CO -0.01 -0.66 0.74 -0.36 -1.89 0.00 0.00 176.35 174.17 3iaf s PHE 97 N 2.01 2.94 -0.17 5.38 0.08 -0.02 -0.61 117.98 127.60 3iaf s PHE 97 Ca 0.09 -0.63 -0.20 0.00 0.12 0.00 0.00 56.93 56.31 3iaf s PHE 97 Cb -0.20 -3.88 -0.03 0.00 -0.57 0.00 0.00 43.02 38.33 3iaf s PHE 97 CO 0.10 -1.26 0.60 -0.51 -0.10 0.00 0.00 175.22 174.05 3iaf s LEU 98 N 3.02 4.18 -0.02 -0.37 1.43 0.79 -1.52 118.68 126.20 3iaf s LEU 98 Ca 0.17 0.84 0.04 0.00 -1.03 0.00 0.00 54.13 54.15 3iaf s LEU 98 Cb -0.20 -2.85 -0.01 0.00 0.03 0.00 0.00 46.19 43.16 3iaf s LEU 98 CO 0.10 -0.20 -0.15 0.28 0.23 0.00 0.00 176.35 176.61 3iaf s THR 99 N 1.54 1.24 0.61 5.49 -1.32 -0.90 -0.75 115.64 121.55 3iaf s THR 99 Ca 0.28 -0.65 -0.12 0.00 -1.21 0.00 0.00 61.69 60.00 3iaf s THR 99 Cb -0.16 -1.04 -0.04 0.00 -1.51 0.00 0.00 72.50 69.75 3iaf s THR 99 CO 0.11 0.35 1.03 -0.83 -2.21 0.00 0.00 174.62 173.07 3iaf s GLY 100 N -0.21 1.70 0.36 6.08 0.00 -0.82 0.03 107.32 114.46 3iaf s GLY 100 Ca 0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 44.72 44.66 3iaf s GLY 100 CO 0.00 0.23 0.52 -1.35 0.00 0.00 0.00 173.10 172.50 3iaf s SER 101 N -4.03 0.90 0.21 1.64 1.04 -1.10 -3.36 113.70 108.99 3iaf s SER 101 Ca 0.56 -1.49 -0.32 0.00 0.48 0.00 0.00 55.95 55.18 3iaf s SER 101 Cb -0.11 0.70 -0.14 0.00 0.10 0.00 0.00 66.02 66.57 3iaf s SER 101 CO 0.52 -1.37 1.44 0.61 0.98 0.00 0.00 173.24 175.42 3iaf n GLY 102 N -0.58 0.81 3.70 7.32 0.00 -1.26 -2.09 105.19 113.09 3iaf n GLY 102 Ca -0.00 0.55 -0.40 0.00 0.00 0.00 0.00 46.02 46.17 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 2.33 1.25 -0.21 4.61 0.00 -1.26 -4.40 120.51 122.82 3iaf n ALA 103 Ca 0.14 0.22 -0.02 0.00 0.00 0.00 0.00 53.44 53.78 3iaf n ALA 103 Cb 0.30 -2.27 0.19 0.00 0.00 0.00 0.00 19.45 17.67 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 1.85 0.89 -9.80 0.00 3.38 -1.91 -3.30 115.31 106.42 3iaf h LEU 104 Ca -0.48 -0.08 -0.52 0.00 0.09 0.00 0.00 57.88 56.88 3iaf h LEU 104 Cb 1.30 -0.23 0.05 0.00 0.09 0.00 0.00 40.66 41.87 3iaf h LEU 104 CO 0.59 0.74 0.64 -0.60 0.09 0.00 0.00 178.44 179.89 3iaf s ARG 105 N -5.61 4.39 -1.25 1.13 3.52 -1.26 -2.89 118.95 116.98 3iaf s ARG 105 Ca -0.11 2.13 -0.03 0.00 -0.13 0.00 0.00 55.73 57.59 3iaf s ARG 105 Cb 0.17 -3.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.42 3iaf s ARG 105 CO 0.80 -0.18 0.76 -0.40 -0.81 0.00 0.00 175.30 175.47 3iaf n ASP 106 N 1.52 -2.37 -4.80 -2.12 5.68 -1.26 -4.96 116.55 108.24 3iaf n ASP 106 Ca 0.02 -0.82 -0.36 0.00 -0.50 0.00 0.00 54.79 53.13 3iaf n ASP 106 Cb 0.42 -4.18 -0.07 0.00 -1.14 0.00 0.00 41.12 36.15 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 -4.14 6.39 -0.96 -1.12 2.15 -1.14 -4.51 116.67 113.34 3iaf s ASP 107 Ca 0.11 0.45 -0.04 0.00 0.43 0.00 0.00 52.55 53.51 3iaf s ASP 107 Cb -0.03 -2.12 -0.05 0.00 -0.30 0.00 0.00 42.92 40.43 3iaf s ASP 107 CO 0.80 0.27 0.83 1.21 -0.17 0.00 0.00 175.17 178.11 3iaf n GLU 108 N 2.76 -2.83 -0.46 4.34 4.07 -1.26 -4.98 120.64 122.28 3iaf n GLU 108 Ca -0.17 0.76 0.00 0.00 -0.06 0.00 0.00 57.16 57.70 3iaf n GLU 108 Cb 0.53 -5.36 0.00 0.00 -0.06 0.00 0.00 31.44 26.55 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 -3.19 0.00 -3.83 6.31 -2.24 -1.26 -5.02 114.28 105.05 3iaf n THR 109 Ca -0.10 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.43 3iaf n THR 109 Cb 0.62 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 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 0.00 -1.15 -4.78 3.42 3.02 -1.26 -4.97 115.26 109.53 3iaf n ASN 110 Ca 0.00 -0.94 -0.24 0.00 -0.03 0.00 0.00 54.58 53.37 3iaf n ASN 110 Cb 0.68 -3.45 0.08 0.00 -0.61 0.00 0.00 39.78 36.48 3iaf n ASN 110 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3iaf s THR 111 N -3.81 2.30 -0.32 3.41 2.01 -1.26 -4.99 115.64 112.98 3iaf s THR 111 Ca 0.05 -0.44 -0.28 0.00 0.31 0.00 0.00 61.69 61.34 3iaf s THR 111 Cb -0.02 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 3iaf s THR 111 CO 0.86 0.00 1.94 -0.22 -0.69 0.00 0.00 174.62 176.51 3iaf s LEU 112 N -5.16 3.47 0.00 4.42 2.96 -1.26 -3.36 118.68 119.75 3iaf s LEU 112 Ca 0.63 1.41 0.00 0.00 -0.22 0.00 0.00 54.13 55.94 3iaf s LEU 112 Cb -0.08 -3.42 0.00 0.00 0.50 0.00 0.00 46.19 43.18 3iaf s LEU 112 CO 0.44 -1.86 0.00 0.00 -1.32 0.00 0.00 176.35 173.61 3iaf n GLN 113 N 8.58 -0.56 -2.75 1.98 6.02 -1.26 -4.85 117.38 124.55 3iaf n GLN 113 Ca 0.25 0.14 -0.22 0.00 -0.01 0.00 0.00 57.00 57.16 3iaf n GLN 113 Cb 0.47 -3.89 0.03 0.00 1.02 0.00 0.00 30.24 27.87 3iaf n GLN 113 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iaf s ALA 114 N -1.87 3.80 0.00 -1.58 0.00 -1.21 -3.29 121.76 117.61 3iaf s ALA 114 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.77 3iaf s ALA 114 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.98 3iaf s ALA 114 CO 0.00 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.54 3iaf n GLY 115 N -2.27 0.43 3.48 0.00 0.00 -1.26 -4.51 105.19 101.06 3iaf n GLY 115 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 3.04 -1.08 -0.61 -4.36 -1.26 -5.07 121.20 109.86 3iaf s ILE 116 Ca 0.00 -0.80 -0.16 0.00 -0.26 0.00 0.00 60.65 59.43 3iaf s ILE 116 Cb 0.00 -2.21 0.15 0.00 1.25 0.00 0.00 42.46 41.65 3iaf s ILE 116 CO 0.00 0.54 1.29 -0.62 0.24 0.00 0.00 174.94 176.39 3iaf s ASP 117 N -0.88 6.87 0.27 4.36 -1.08 -1.26 -4.84 116.67 120.11 3iaf s ASP 117 Ca 0.12 -2.57 -0.00 0.00 -0.52 0.00 0.00 52.55 49.58 3iaf s ASP 117 Cb -0.11 -2.40 0.36 0.00 -1.46 0.00 0.00 42.92 39.32 3iaf s ASP 117 CO 0.02 -0.88 1.73 1.56 0.52 0.00 0.00 175.17 178.11 3iaf h GLN 118 N 7.91 0.63 -0.09 4.34 4.20 -1.98 -1.37 115.11 128.75 3iaf h GLN 118 Ca 0.24 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3iaf h GLN 118 Cb 0.94 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 3iaf h GLN 118 CO 1.18 0.76 0.03 0.28 -0.67 0.00 0.00 178.83 180.41 3iaf h VAL 119 N 0.57 1.16 -0.78 -0.54 2.07 -1.95 -1.54 116.25 115.23 3iaf h VAL 119 Ca 0.10 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.21 3iaf h VAL 119 Cb 0.59 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 3iaf h VAL 119 CO 0.04 0.14 0.51 0.00 0.02 0.00 0.00 177.57 178.28 3iaf h ALA 120 N 0.86 1.62 -0.04 1.67 0.00 -1.88 -0.23 119.26 121.27 3iaf h ALA 120 Ca 0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3iaf h ALA 120 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3iaf h ALA 120 CO -0.00 0.27 -0.54 0.52 0.00 0.00 0.00 179.25 179.50 3iaf h MET 121 N 0.87 0.10 0.00 0.00 2.07 -0.96 -3.26 114.93 113.74 3iaf h MET 121 Ca 0.33 -0.06 -0.07 0.00 -2.07 0.00 0.00 59.70 57.83 3iaf h MET 121 Cb 0.20 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.92 3iaf h MET 121 CO -0.11 0.62 -1.42 0.00 1.07 0.00 0.00 176.91 177.06 3iaf n ALA 122 N -2.45 2.35 -0.28 6.32 0.00 -0.61 -4.41 120.51 121.44 3iaf n ALA 122 Ca -0.02 -0.45 0.10 0.00 0.00 0.00 0.00 53.44 53.07 3iaf n ALA 122 Cb 0.56 -0.93 0.34 0.00 0.00 0.00 0.00 19.45 19.42 3iaf n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iaf h ALA 123 N 1.78 1.75 0.00 0.00 0.00 -1.11 -0.05 119.26 121.63 3iaf h ALA 123 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3iaf h ALA 123 Cb 1.24 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3iaf h ALA 123 CO 0.01 0.03 0.00 -2.30 0.00 0.00 0.00 179.25 176.99 3iaf n PRO 124 N -4.56 0.14 -0.51 0.00 -0.02 -1.26 -3.74 135.00 125.05 3iaf n PRO 124 Ca 0.17 0.33 0.05 0.00 -2.02 0.00 0.00 63.50 62.02 3iaf n PRO 124 Cb 0.41 -1.74 0.09 0.00 -0.02 0.00 0.00 33.50 32.23 3iaf n PRO 124 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3iaf n ILE 125 N -2.01 1.03 -4.04 4.25 -5.35 -0.12 -5.06 119.36 108.07 3iaf n ILE 125 Ca 0.03 -1.48 -0.11 0.00 -0.27 0.00 0.00 62.75 60.92 3iaf n ILE 125 Cb 0.25 0.19 -0.11 0.00 -1.74 0.00 0.00 39.64 38.23 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 -1.55 0.37 0.37 7.28 -4.23 -0.66 -4.55 115.64 112.67 3iaf s THR 126 Ca 0.23 -1.11 0.09 0.00 -1.18 0.00 0.00 61.69 59.72 3iaf s THR 126 Cb 0.22 -0.59 0.14 0.00 1.34 0.00 0.00 72.50 73.60 3iaf s THR 126 CO -0.03 -0.49 1.88 0.11 -0.54 0.00 0.00 174.62 175.55 3iaf h LYS 127 N 4.38 0.23 -2.64 3.99 1.57 -1.66 -3.44 116.57 119.01 3iaf h LYS 127 Ca -0.34 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.26 3iaf h LYS 127 Cb 1.20 -0.03 -0.24 0.00 0.08 0.00 0.00 32.23 33.24 3iaf h LYS 127 CO 0.44 0.42 -0.21 -0.46 -0.57 0.00 0.00 179.45 179.06 3iaf s TRP 128 N -4.62 -0.53 -0.05 -1.35 -0.00 -1.26 -5.08 118.94 106.06 3iaf s TRP 128 Ca -0.05 1.23 -0.01 0.00 -0.00 0.00 0.00 56.10 57.28 3iaf s TRP 128 Cb 0.15 0.20 0.03 0.00 -0.00 0.00 0.00 33.47 33.85 3iaf s TRP 128 CO 0.74 -0.27 0.00 0.00 -0.00 0.00 0.00 176.95 177.42 3iaf s ALA 129 N 0.54 0.55 -0.05 5.86 0.00 -1.26 -0.98 121.76 126.41 3iaf s ALA 129 Ca -0.02 -0.01 -0.22 0.00 0.00 0.00 0.00 51.96 51.71 3iaf s ALA 129 Cb -0.04 -0.58 0.05 0.00 0.00 0.00 0.00 23.12 22.54 3iaf s ALA 129 CO -0.03 -0.30 0.49 -1.58 0.00 0.00 0.00 175.76 174.33 3iaf s HIS 130 N 1.61 -0.42 -0.19 0.00 5.04 -0.64 -4.98 115.29 115.71 3iaf s HIS 130 Ca -0.01 0.76 -0.01 0.00 -1.54 0.00 0.00 55.06 54.26 3iaf s HIS 130 Cb -0.13 0.23 0.00 0.00 0.04 0.00 0.00 32.58 32.73 3iaf s HIS 130 CO -0.03 -0.46 -0.12 0.50 -2.34 0.00 0.00 174.74 172.29 3iaf s ARG 131 N -1.06 3.22 -0.03 2.88 3.52 -1.26 0.45 118.95 126.67 3iaf s ARG 131 Ca -0.11 -0.72 -0.30 0.00 -0.13 0.00 0.00 55.73 54.47 3iaf s ARG 131 Cb -0.03 -2.78 -0.05 0.00 -1.56 0.00 0.00 34.95 30.54 3iaf s ARG 131 CO 0.06 -0.15 1.35 0.08 -0.81 0.00 0.00 175.30 175.83 3iaf s VAL 132 N 1.26 3.89 -0.11 7.11 1.01 -0.44 -4.93 120.40 128.18 3iaf s VAL 132 Ca 0.03 1.24 0.13 0.00 0.00 0.00 0.00 61.98 63.38 3iaf s VAL 132 Cb -0.14 -3.80 -0.24 0.00 0.00 0.00 0.00 36.38 32.21 3iaf s VAL 132 CO -0.06 -0.01 0.39 0.23 0.00 0.00 0.00 175.10 175.65 3iaf n MET 133 N 5.46 0.66 -4.30 2.72 0.00 -1.26 -4.50 117.12 115.90 3iaf n MET 133 Ca 0.13 0.17 -0.23 0.00 0.00 0.00 0.00 57.70 57.78 3iaf n MET 133 Cb 0.44 -1.68 -0.13 0.00 0.00 0.00 0.00 33.22 31.86 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 -2.55 1.61 0.31 3.04 0.00 -1.26 -5.01 121.76 117.91 3iaf s ALA 134 Ca -0.09 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 50.77 3iaf s ALA 134 Cb 0.07 -0.22 0.53 0.00 0.00 0.00 0.00 23.12 23.51 3iaf s ALA 134 CO 0.82 0.31 1.81 1.15 0.00 0.00 0.00 175.76 179.84 3iaf h THR 135 N 4.18 1.23 0.00 0.00 2.02 -1.92 -2.46 112.91 115.96 3iaf h THR 135 Ca -0.44 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 65.73 3iaf h THR 135 Cb 1.18 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 3iaf h THR 135 CO 0.40 0.33 0.00 -0.33 0.37 0.00 0.00 175.52 176.29 3iaf h GLU 136 N 0.44 0.00 0.00 6.66 3.07 -1.97 -2.69 114.58 120.09 3iaf h GLU 136 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 3iaf h GLU 136 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3iaf h GLU 136 CO 0.03 0.00 -0.11 0.45 -1.40 0.00 0.00 179.01 177.98 3iaf h HIS 137 N 0.00 0.00 -0.66 4.33 3.86 -1.87 -3.39 115.15 117.43 3iaf h HIS 137 Ca 0.00 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.33 3iaf h HIS 137 Cb 0.30 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.65 3iaf h HIS 137 CO 0.00 0.00 -0.26 0.82 0.86 0.00 0.00 177.93 179.35 3iaf h ILE 138 N 0.00 0.23 0.16 2.45 2.04 -1.59 -2.47 117.51 118.32 3iaf h ILE 138 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3iaf h ILE 138 Cb 0.76 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3iaf h ILE 138 CO 0.00 0.00 -0.08 -0.65 0.00 0.00 0.00 178.15 177.42 3iaf h PRO 139 N -0.08 -0.21 0.00 2.37 0.11 -1.84 -0.88 132.00 131.47 3iaf h PRO 139 Ca 0.29 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.40 3iaf h PRO 139 Cb 0.54 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 3iaf h PRO 139 CO -0.71 0.10 -0.08 0.07 -0.21 0.00 0.00 178.00 177.16 3iaf h ARG 140 N -0.52 0.00 0.06 1.05 0.11 -1.82 -1.13 114.38 112.14 3iaf h ARG 140 Ca -0.02 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.73 3iaf h ARG 140 Cb 0.40 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.45 3iaf h ARG 140 CO 0.04 0.08 -1.85 1.28 0.10 0.00 0.00 179.97 179.62 3iaf n LEU 141 N -3.51 1.76 0.07 0.08 4.32 -0.94 -2.57 117.00 116.21 3iaf n LEU 141 Ca -0.02 0.31 -0.13 0.00 -0.02 0.00 0.00 56.01 56.16 3iaf n LEU 141 Cb 0.21 -0.48 -0.08 0.00 -1.62 0.00 0.00 43.42 41.45 3iaf n LEU 141 CO 0.28 0.62 0.76 0.58 -1.22 0.00 0.00 177.39 178.42 3iaf h VAL 142 N 0.04 1.01 -0.56 4.08 2.07 -0.90 -0.01 116.25 121.97 3iaf h VAL 142 Ca -0.35 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3iaf h VAL 142 Cb 2.03 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.99 3iaf h VAL 142 CO 0.09 0.08 0.36 -0.03 0.02 0.00 0.00 177.57 178.08 3iaf h MET 143 N -0.27 0.75 -0.43 1.57 -1.53 -1.36 -1.21 114.93 112.45 3iaf h MET 143 Ca -0.01 -0.05 -0.05 0.00 -3.44 0.00 0.00 59.70 56.15 3iaf h MET 143 Cb 0.23 -0.17 -0.02 0.00 -0.55 0.00 0.00 31.60 31.09 3iaf h MET 143 CO 0.02 0.51 0.09 0.37 0.14 0.00 0.00 176.91 178.04 3iaf h GLN 144 N 0.77 0.69 -0.79 0.39 4.15 -1.37 -1.94 115.11 117.02 3iaf h GLN 144 Ca 0.20 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 3iaf h GLN 144 Cb -0.06 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.51 3iaf h GLN 144 CO -0.04 0.71 0.39 0.00 -1.93 0.00 0.00 178.83 177.96 3iaf h ALA 145 N 0.95 1.02 -0.07 3.38 0.00 -0.17 -2.10 119.26 122.26 3iaf h ALA 145 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iaf h ALA 145 Cb 0.34 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3iaf h ALA 145 CO 0.00 0.57 0.05 0.82 0.00 0.00 0.00 179.25 180.69 3iaf h ILE 146 N 1.11 1.04 -0.96 0.00 1.08 -1.15 -0.70 117.51 117.93 3iaf h ILE 146 Ca 0.27 -0.09 0.12 0.00 -0.39 0.00 0.00 64.86 64.77 3iaf h ILE 146 Cb 0.11 0.97 -0.08 0.00 -3.07 0.00 0.00 36.82 34.75 3iaf h ILE 146 CO -0.04 0.03 0.61 0.03 -0.69 0.00 0.00 178.15 178.10 3iaf h ARG 147 N 0.08 0.89 -0.17 2.37 3.08 -1.10 -1.36 114.38 118.18 3iaf h ARG 147 Ca 0.03 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 3iaf h ARG 147 Cb 0.02 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 3iaf h ARG 147 CO -0.01 0.59 -0.18 0.00 -1.07 0.00 0.00 179.97 179.30 3iaf h ALA 148 N 1.55 0.25 0.00 0.04 0.00 -1.07 -2.84 119.26 117.19 3iaf h ALA 148 Ca 0.47 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3iaf h ALA 148 Cb 0.51 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3iaf h ALA 148 CO -0.23 0.17 -0.17 0.00 0.00 0.00 0.00 179.25 179.01 3iaf h ALA 149 N 0.62 1.57 0.00 0.00 0.00 -0.47 -3.27 119.26 117.70 3iaf h ALA 149 Ca 0.03 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.54 3iaf h ALA 149 Cb 0.73 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3iaf h ALA 149 CO 0.04 0.21 -1.86 1.28 0.00 0.00 0.00 179.25 178.92 3iaf n LEU 150 N -4.12 0.49 -4.85 0.00 4.77 -0.57 -3.11 117.00 109.60 3iaf n LEU 150 Ca -0.02 0.22 -0.31 0.00 -0.03 0.00 0.00 56.01 55.87 3iaf n LEU 150 Cb 0.25 0.23 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 3iaf n LEU 150 CO 0.35 0.30 0.71 -0.94 -1.33 0.00 0.00 177.39 176.48 3iaf s SER 151 N -5.61 6.05 0.22 -1.43 1.04 -1.08 -4.74 113.70 108.14 3iaf s SER 151 Ca -0.06 1.51 -0.30 0.00 0.48 0.00 0.00 55.95 57.58 3iaf s SER 151 Cb 0.08 -2.48 -0.08 0.00 0.10 0.00 0.00 66.02 63.63 3iaf s SER 151 CO 0.83 -0.99 1.08 0.00 0.98 0.00 0.00 173.24 175.13 3iaf s ALA 152 N -3.05 3.38 0.30 5.32 0.00 -1.26 -2.77 121.76 123.67 3iaf s ALA 152 Ca 0.57 0.81 -0.28 0.00 0.00 0.00 0.00 51.96 53.05 3iaf s ALA 152 Cb -0.12 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 3iaf s ALA 152 CO 0.51 -0.13 1.06 -1.25 0.00 0.00 0.00 175.76 175.94 3iaf s PRO 153 N -0.83 4.59 0.75 0.00 0.04 -1.26 -4.92 135.00 133.36 3iaf s PRO 153 Ca 0.47 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 63.04 3iaf s PRO 153 Cb -0.30 -3.07 0.05 0.00 0.04 0.00 0.00 34.50 31.23 3iaf s PRO 153 CO 0.36 0.20 1.20 1.03 0.04 0.00 0.00 177.00 179.83 3iaf s ARG 154 N -1.62 2.01 0.00 4.56 3.00 -1.12 -4.97 118.95 120.81 3iaf s ARG 154 Ca 0.47 1.71 0.00 0.00 0.00 0.00 0.00 55.73 57.91 3iaf s ARG 154 Cb -0.29 -1.82 0.00 0.00 0.00 0.00 0.00 34.95 32.84 3iaf s ARG 154 CO 0.36 -1.92 0.00 0.41 0.00 0.00 0.00 175.30 174.15 3iaf n GLY 155 N 0.31 0.77 3.82 -3.53 0.00 -1.18 -3.87 105.19 101.51 3iaf n GLY 155 Ca 0.13 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 3iaf n GLY 155 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iaf s PRO 156 N -2.00 3.77 -0.02 1.61 0.04 -1.19 -3.97 135.00 133.25 3iaf s PRO 156 Ca 0.00 1.10 0.01 0.00 0.04 0.00 0.00 61.00 62.15 3iaf s PRO 156 Cb 0.00 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.45 3iaf s PRO 156 CO 0.00 -0.43 -0.01 0.08 0.04 0.00 0.00 177.00 176.69 3iaf s VAL 157 N -2.44 0.17 -0.22 -0.36 1.01 -0.70 -1.71 120.40 116.14 3iaf s VAL 157 Ca 0.62 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.55 3iaf s VAL 157 Cb -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 3iaf s VAL 157 CO 0.29 0.11 0.09 -0.22 0.00 0.00 0.00 175.10 175.37 3iaf s LEU 158 N 0.65 3.71 -0.28 3.92 2.96 -0.15 -0.84 118.68 128.66 3iaf s LEU 158 Ca -0.06 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 3iaf s LEU 158 Cb -0.09 -1.97 0.05 0.00 0.50 0.00 0.00 46.19 44.67 3iaf s LEU 158 CO -0.01 0.06 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.81 3iaf s LEU 159 N 1.03 3.59 -0.36 -0.68 0.20 -0.58 -1.62 118.68 120.26 3iaf s LEU 159 Ca 0.05 -1.25 -0.22 0.00 0.69 0.00 0.00 54.13 53.40 3iaf s LEU 159 Cb -0.14 -1.64 0.01 0.00 -0.43 0.00 0.00 46.19 43.99 3iaf s LEU 159 CO 0.03 -0.21 0.71 -0.62 -0.29 0.00 0.00 176.35 175.98 3iaf s ASP 160 N 1.21 6.49 -0.45 3.68 -1.08 0.17 -2.13 116.67 124.56 3iaf s ASP 160 Ca -0.06 0.24 -0.08 0.00 -0.52 0.00 0.00 52.55 52.14 3iaf s ASP 160 Cb -0.19 -2.36 0.11 0.00 -1.46 0.00 0.00 42.92 39.02 3iaf s ASP 160 CO -0.03 -0.67 0.30 -0.76 0.52 0.00 0.00 175.17 174.52 3iaf s LEU 161 N 2.91 5.50 0.11 -1.34 1.43 0.10 -1.32 118.68 126.07 3iaf s LEU 161 Ca 0.28 -1.88 -0.31 0.00 -1.03 0.00 0.00 54.13 51.18 3iaf s LEU 161 Cb -0.14 -1.96 -0.11 0.00 0.03 0.00 0.00 46.19 44.02 3iaf s LEU 161 CO 0.16 -0.63 1.85 -2.65 0.23 0.00 0.00 176.35 175.31 3iaf n PRO 162 N 4.83 2.77 -0.40 1.29 -0.02 -1.26 -2.73 135.00 139.48 3iaf n PRO 162 Ca -0.07 1.01 0.36 0.00 -2.02 0.00 0.00 63.50 62.78 3iaf n PRO 162 Cb 0.41 -2.90 0.63 0.00 -0.02 0.00 0.00 33.50 31.62 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 8.70 0.67 -0.25 6.00 7.01 -1.63 0.83 115.95 137.29 3iaf h TRP 163 Ca -0.47 0.03 0.03 0.00 2.11 0.00 0.00 58.89 60.60 3iaf h TRP 163 Cb 1.23 -0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 28.07 3iaf h TRP 163 CO 0.80 -0.38 -0.43 0.22 -2.79 0.00 0.00 178.44 175.87 3iaf h ASP 164 N 0.01 -1.40 -0.00 2.65 -0.00 -1.86 -2.62 116.42 113.20 3iaf h ASP 164 Ca 0.86 0.18 -0.02 0.00 -0.00 0.00 0.00 57.03 58.05 3iaf h ASP 164 Cb 2.53 0.56 -0.01 0.00 -0.00 0.00 0.00 39.33 42.42 3iaf h ASP 164 CO -0.62 -0.33 -0.04 0.40 -0.00 0.00 0.00 179.24 178.65 3iaf h ILE 165 N -0.35 1.09 0.00 2.25 5.03 0.30 -1.96 117.51 123.87 3iaf h ILE 165 Ca 0.05 -0.36 0.00 0.00 -0.12 0.00 0.00 64.86 64.42 3iaf h ILE 165 Cb 0.48 1.07 0.00 0.00 -3.03 0.00 0.00 36.82 35.34 3iaf h ILE 165 CO -0.42 0.11 0.00 -0.07 -0.68 0.00 0.00 178.15 177.10 3iaf h LEU 166 N 0.12 0.00 0.00 1.44 3.38 -1.15 -3.33 115.31 115.78 3iaf h LEU 166 Ca 0.03 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.62 3iaf h LEU 166 Cb 0.16 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 3iaf h LEU 166 CO 0.01 0.00 -2.41 0.23 0.09 0.00 0.00 178.44 176.35 3iaf n MET 167 N -2.40 0.67 -1.67 1.13 2.81 -0.77 -1.57 117.12 115.33 3iaf n MET 167 Ca 0.04 0.07 -0.46 0.00 -1.81 0.00 0.00 57.70 55.54 3iaf n MET 167 Cb 0.39 -1.53 -0.04 0.00 -0.71 0.00 0.00 33.22 31.33 3iaf n MET 167 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3iaf n ASN 168 N -3.00 3.16 -4.75 7.83 5.03 -0.99 -4.41 115.26 118.13 3iaf n ASN 168 Ca -0.39 1.07 -0.36 0.00 0.87 0.00 0.00 54.58 55.77 3iaf n ASN 168 Cb 1.08 -1.42 -0.07 0.00 -1.02 0.00 0.00 39.78 38.35 3iaf n ASN 168 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3iaf s GLN 169 N 1.39 4.14 0.15 3.52 -0.21 -1.26 -2.46 119.66 124.93 3iaf s GLN 169 Ca 0.81 0.03 0.07 0.00 0.02 0.00 0.00 55.36 56.29 3iaf s GLN 169 Cb -0.68 -3.39 -0.04 0.00 1.00 0.00 0.00 33.01 29.90 3iaf s GLN 169 CO 0.40 0.33 -0.16 0.96 -2.12 0.00 0.00 175.29 174.70 3iaf s ILE 170 N 0.20 1.58 0.07 1.08 -5.25 -0.87 -4.86 121.20 113.15 3iaf s ILE 170 Ca 0.15 -1.88 -0.35 0.00 -0.99 0.00 0.00 60.65 57.58 3iaf s ILE 170 Cb -0.13 -1.74 -0.15 0.00 2.95 0.00 0.00 42.46 43.40 3iaf s ILE 170 CO 0.03 -0.41 1.55 -0.67 -1.79 0.00 0.00 174.94 173.65 3iaf n ASP 171 N 0.29 2.62 0.22 4.36 2.03 -1.26 -2.56 116.55 122.25 3iaf n ASP 171 Ca -0.13 1.08 0.06 0.00 0.52 0.00 0.00 54.79 56.32 3iaf n ASP 171 Cb 0.58 -1.32 0.51 0.00 -0.72 0.00 0.00 41.12 40.17 3iaf n ASP 171 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3iaf h GLU 172 N 5.98 0.00 0.00 -0.67 4.11 -1.64 -2.24 114.58 120.11 3iaf h GLU 172 Ca -0.46 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.90 3iaf h GLU 172 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 3iaf h GLU 172 CO 0.87 0.21 -0.48 -0.44 0.07 0.00 0.00 179.01 179.23 3iaf h ASP 173 N 0.00 0.00 0.49 3.06 3.45 -1.89 -3.39 116.42 118.14 3iaf h ASP 173 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3iaf h ASP 173 Cb 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.16 3iaf h ASP 173 CO 0.03 0.27 0.00 -1.54 -1.57 0.00 0.00 179.24 176.43 3iaf n SER 174 N -3.08 0.00 -3.72 6.45 3.41 -0.84 -4.62 113.62 111.21 3iaf n SER 174 Ca 0.01 -0.14 -0.18 0.00 -0.26 0.00 0.00 58.87 58.30 3iaf n SER 174 Cb 0.65 -0.27 -0.17 0.00 -0.26 0.00 0.00 64.21 64.16 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 -2.54 -0.07 0.37 -3.33 0.11 -1.26 -5.05 120.40 108.63 3iaf s VAL 175 Ca 0.27 0.31 -0.27 0.00 -2.93 0.00 0.00 61.98 59.36 3iaf s VAL 175 Cb 0.18 -0.13 -0.09 0.00 -1.53 0.00 0.00 36.38 34.81 3iaf s VAL 175 CO 0.41 0.14 1.23 0.27 -3.33 0.00 0.00 175.10 173.82 3iaf s ILE 176 N 1.62 2.95 -0.51 7.04 -4.36 -1.26 -5.00 121.20 121.67 3iaf s ILE 176 Ca -0.02 0.87 -0.11 0.00 -0.26 0.00 0.00 60.65 61.13 3iaf s ILE 176 Cb -0.13 -3.52 0.13 0.00 1.25 0.00 0.00 42.46 40.19 3iaf s ILE 176 CO -0.03 0.14 0.41 -0.63 0.24 0.00 0.00 174.94 175.07 3iaf s ILE 177 N -1.28 4.55 0.57 8.37 1.09 -1.26 -4.83 121.20 128.42 3iaf s ILE 177 Ca 0.53 -1.77 -0.18 0.00 -1.10 0.00 0.00 60.65 58.13 3iaf s ILE 177 Cb -0.35 -3.96 -0.05 0.00 -1.06 0.00 0.00 42.46 37.04 3iaf s ILE 177 CO 0.45 -0.82 1.12 -2.16 -0.10 0.00 0.00 174.94 173.43 3iaf s PRO 178 N 1.34 3.23 0.64 2.79 0.04 -1.26 -5.03 135.00 136.75 3iaf s PRO 178 Ca 0.06 1.55 -0.14 0.00 0.04 0.00 0.00 61.00 62.50 3iaf s PRO 178 Cb -0.26 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 3iaf s PRO 178 CO -0.00 -0.93 1.07 -0.51 0.04 0.00 0.00 177.00 176.67 3iaf s ASP 179 N -1.98 5.48 -0.54 6.66 1.11 -1.26 -4.89 116.67 121.24 3iaf s ASP 179 Ca 0.71 1.82 -0.25 0.00 0.18 0.00 0.00 52.55 55.01 3iaf s ASP 179 Cb -0.23 -2.53 0.04 0.00 1.07 0.00 0.00 42.92 41.27 3iaf s ASP 179 CO 0.30 -1.38 1.00 -0.22 1.18 0.00 0.00 175.17 176.06 3iaf s LEU 180 N -4.86 3.93 -0.44 1.23 2.96 -1.26 -5.00 118.68 115.25 3iaf s LEU 180 Ca 0.63 -0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 54.32 3iaf s LEU 180 Cb -0.17 -2.97 0.12 0.00 0.50 0.00 0.00 46.19 43.67 3iaf s LEU 180 CO 0.42 -1.26 0.27 -0.69 -1.32 0.00 0.00 176.35 173.77 3iaf s VAL 181 N 4.16 3.67 -0.19 1.68 1.01 -1.26 -5.03 120.40 124.44 3iaf s VAL 181 Ca 0.34 -1.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.27 3iaf s VAL 181 Cb -0.11 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 32.87 3iaf s VAL 181 CO 0.22 -0.73 0.43 -0.22 0.00 0.00 0.00 175.10 174.80 3iaf s LEU 182 N 1.21 -0.34 0.31 3.92 2.96 -1.26 -5.07 118.68 120.41 3iaf s LEU 182 Ca 0.07 0.97 0.16 0.00 -0.22 0.00 0.00 54.13 55.11 3iaf s LEU 182 Cb -0.24 1.42 0.86 0.00 0.50 0.00 0.00 46.19 48.74 3iaf s LEU 182 CO -0.03 -0.21 1.42 -0.24 -1.32 0.00 0.00 176.35 175.97 3iaf n SER 183 N 4.66 0.41 0.00 3.68 2.88 -1.26 -4.81 113.62 119.18 3iaf n SER 183 Ca -0.18 0.63 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 3iaf n SER 183 Cb 0.53 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 3iaf n SER 183 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3iaf n ALA 184 N -1.64 0.00 -2.18 -1.46 0.00 -1.26 -4.78 120.51 109.18 3iaf n ALA 184 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 3iaf n ALA 184 Cb 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 3iaf n ALA 184 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3iaf s HIS 185 N 0.00 2.96 0.56 0.00 3.76 -1.26 -5.01 115.29 116.29 3iaf s HIS 185 Ca 0.00 0.83 -0.11 0.00 -0.15 0.00 0.00 55.06 55.63 3iaf s HIS 185 Cb 0.00 -3.69 -0.05 0.00 1.11 0.00 0.00 32.58 29.95 3iaf s HIS 185 CO 0.00 -2.52 0.95 0.20 -0.85 0.00 0.00 174.74 172.52 3iaf s GLY 186 N 1.65 1.72 0.51 -2.22 0.00 -1.26 -5.01 107.32 102.71 3iaf s GLY 186 Ca 0.65 -0.14 -0.22 0.00 0.00 0.00 0.00 44.72 45.02 3iaf s GLY 186 CO 0.28 0.11 1.21 0.00 0.00 0.00 0.00 173.10 174.70 3iaf s ALA 187 N -2.94 2.84 0.23 3.20 0.00 -1.26 -4.25 121.76 119.57 3iaf s ALA 187 Ca 0.54 1.02 0.10 0.00 0.00 0.00 0.00 51.96 53.61 3iaf s ALA 187 Cb -0.11 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 3iaf s ALA 187 CO 0.47 -0.90 -0.18 -0.98 0.00 0.00 0.00 175.76 174.17 3iaf s ARG 188 N -2.92 1.47 0.52 0.00 1.70 -1.26 -1.28 118.95 117.19 3iaf s ARG 188 Ca 0.69 -1.63 -0.23 0.00 -0.47 0.00 0.00 55.73 54.09 3iaf s ARG 188 Cb -0.31 -1.44 -0.06 0.00 -0.57 0.00 0.00 34.95 32.58 3iaf s ARG 188 CO 0.36 0.26 1.38 -0.35 -1.08 0.00 0.00 175.30 175.87 3iaf n PRO 189 N -0.35 1.84 -1.65 3.89 -0.04 -1.26 -4.94 135.00 132.48 3iaf n PRO 189 Ca -0.08 0.67 -0.45 0.00 -0.04 0.00 0.00 63.50 63.60 3iaf n PRO 189 Cb 0.60 -2.59 -0.02 0.00 -0.04 0.00 0.00 33.50 31.45 3iaf n PRO 189 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3iaf n ASP 190 N -0.78 2.24 -0.13 3.54 2.03 -1.26 -4.80 116.55 117.39 3iaf n ASP 190 Ca 0.09 1.17 0.18 0.00 0.52 0.00 0.00 54.79 56.74 3iaf n ASP 190 Cb 0.44 -1.38 0.57 0.00 -0.72 0.00 0.00 41.12 40.02 3iaf n ASP 190 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3iaf h PRO 191 N 3.16 0.27 -0.84 -0.67 0.11 -1.99 -1.34 132.00 130.71 3iaf h PRO 191 Ca -0.44 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.67 3iaf h PRO 191 Cb 1.30 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 3iaf h PRO 191 CO 0.68 0.18 0.55 0.00 -0.21 0.00 0.00 178.00 179.20 3iaf h ALA 192 N 1.66 1.07 -0.34 -0.75 0.00 -1.99 0.18 119.26 119.09 3iaf h ALA 192 Ca 0.35 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 3iaf h ALA 192 Cb 0.96 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3iaf h ALA 192 CO -0.08 0.44 -0.26 -0.44 0.00 0.00 0.00 179.25 178.90 3iaf h ASP 193 N 1.10 0.82 -0.74 0.00 3.45 -1.63 -1.05 116.42 118.39 3iaf h ASP 193 Ca 0.31 -0.44 0.04 0.00 0.43 0.00 0.00 57.03 57.38 3iaf h ASP 193 Cb -0.09 -0.23 -0.05 0.00 -0.56 0.00 0.00 39.33 38.40 3iaf h ASP 193 CO -0.08 1.09 0.45 0.25 -1.57 0.00 0.00 179.24 179.38 3iaf h LEU 194 N 0.56 0.71 0.14 1.55 5.85 -0.99 0.30 115.31 123.43 3iaf h LEU 194 Ca 0.06 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3iaf h LEU 194 Cb 0.83 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3iaf h LEU 194 CO 0.07 0.48 -0.07 0.44 -0.34 0.00 0.00 178.44 179.02 3iaf h ASP 195 N 0.85 -0.16 -0.90 1.25 5.19 -0.54 -0.45 116.42 121.66 3iaf h ASP 195 Ca 0.31 -0.02 0.13 0.00 -0.62 0.00 0.00 57.03 56.83 3iaf h ASP 195 Cb 0.10 0.04 -0.09 0.00 0.18 0.00 0.00 39.33 39.56 3iaf h ASP 195 CO -0.14 -0.08 0.52 1.56 -3.12 0.00 0.00 179.24 177.97 3iaf h GLN 196 N -0.21 0.76 0.31 3.56 4.20 -0.54 0.12 115.11 123.32 3iaf h GLN 196 Ca -0.02 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3iaf h GLN 196 Cb 0.17 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3iaf h GLN 196 CO 0.03 0.50 -0.15 0.00 -0.67 0.00 0.00 178.83 178.54 3iaf h ALA 197 N 1.54 -0.42 -0.39 3.87 0.00 -0.20 -2.53 119.26 121.13 3iaf h ALA 197 Ca 0.47 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 3iaf h ALA 197 Cb 0.57 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3iaf h ALA 197 CO -0.31 -0.63 -0.07 -0.07 0.00 0.00 0.00 179.25 178.17 3iaf h LEU 198 N -0.64 0.63 -0.64 0.00 3.38 -0.62 0.89 115.31 118.32 3iaf h LEU 198 Ca -0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3iaf h LEU 198 Cb 0.45 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3iaf h LEU 198 CO 0.07 0.75 0.26 0.00 0.09 0.00 0.00 178.44 179.62 3iaf h ALA 199 N 1.32 0.83 -0.22 1.53 0.00 -0.81 -0.53 119.26 121.38 3iaf h ALA 199 Ca 0.11 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 3iaf h ALA 199 Cb 0.49 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3iaf h ALA 199 CO 0.03 0.44 -0.47 -0.07 0.00 0.00 0.00 179.25 179.18 3iaf h LEU 200 N 0.89 0.62 -0.65 0.00 3.38 -1.08 -2.65 115.31 115.83 3iaf h LEU 200 Ca 0.21 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3iaf h LEU 200 Cb 0.19 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3iaf h LEU 200 CO -0.02 0.99 -0.12 0.25 0.09 0.00 0.00 178.44 179.64 3iaf h LEU 201 N 0.46 0.93 -0.71 1.67 5.85 -0.53 -1.83 115.31 121.15 3iaf h LEU 201 Ca 0.03 -0.30 -0.13 0.00 0.84 0.00 0.00 57.88 58.31 3iaf h LEU 201 Cb 0.99 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3iaf h LEU 201 CO 0.09 1.06 -0.64 -0.09 -0.34 0.00 0.00 178.44 178.52 3iaf h ARG 202 N 0.83 0.00 0.00 1.25 2.43 -1.14 -3.06 114.38 114.70 3iaf h ARG 202 Ca 0.13 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 3iaf h ARG 202 Cb 0.66 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 3iaf h ARG 202 CO 0.05 0.64 -0.29 -0.22 -1.51 0.00 0.00 179.97 178.64 3iaf h LYS 203 N 0.00 0.00 -6.89 0.20 3.64 -1.14 -3.46 116.57 108.92 3iaf h LYS 203 Ca -0.01 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.85 3iaf h LYS 203 Cb 1.14 0.00 0.07 0.00 -0.41 0.00 0.00 32.23 33.03 3iaf h LYS 203 CO 0.08 0.29 0.62 0.00 -2.27 0.00 0.00 179.45 178.17 3iaf s ALA 204 N -3.88 3.44 -0.17 5.00 0.00 -0.72 -4.96 121.76 120.47 3iaf s ALA 204 Ca -0.01 1.24 0.12 0.00 0.00 0.00 0.00 51.96 53.31 3iaf s ALA 204 Cb 0.12 -3.47 -0.23 0.00 0.00 0.00 0.00 23.12 19.53 3iaf s ALA 204 CO 0.66 -0.66 0.19 0.39 0.00 0.00 0.00 175.76 176.34 3iaf n GLU 205 N 0.64 0.67 -3.30 0.00 1.02 -1.26 -4.61 120.64 113.82 3iaf n GLU 205 Ca 0.01 0.11 -0.25 0.00 -0.02 0.00 0.00 57.16 57.01 3iaf n GLU 205 Cb 0.42 -1.60 -0.07 0.00 -0.02 0.00 0.00 31.44 30.17 3iaf n GLU 205 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3iaf n ARG 206 N -2.96 1.64 -2.29 3.49 1.74 -1.26 -4.94 116.66 112.07 3iaf n ARG 206 Ca -0.31 -3.95 -0.32 0.00 -0.77 0.00 0.00 57.85 52.49 3iaf n ARG 206 Cb 1.10 -1.74 -0.02 0.00 -1.02 0.00 0.00 32.46 30.77 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 -1.87 3.75 -0.01 5.56 0.04 -1.26 -0.66 135.00 140.55 3iaf s PRO 207 Ca 0.38 1.04 -0.09 0.00 0.04 0.00 0.00 61.00 62.37 3iaf s PRO 207 Cb 0.17 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.61 3iaf s PRO 207 CO -0.06 -0.44 0.18 0.08 0.04 0.00 0.00 177.00 176.79 3iaf s VAL 208 N -2.57 0.07 -0.07 -0.36 1.01 -0.65 -4.43 120.40 113.40 3iaf s VAL 208 Ca 0.60 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 62.07 3iaf s VAL 208 Cb -0.12 -0.45 -0.00 0.00 0.00 0.00 0.00 36.38 35.81 3iaf s VAL 208 CO 0.33 -0.31 -0.22 -0.63 0.00 0.00 0.00 175.10 174.27 3iaf s ILE 209 N -1.18 1.87 -0.13 2.22 1.01 -0.92 -0.48 121.20 123.60 3iaf s ILE 209 Ca -0.13 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.60 3iaf s ILE 209 Cb -0.06 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.81 3iaf s ILE 209 CO 0.02 0.52 -0.22 -0.69 0.00 0.00 0.00 174.94 174.57 3iaf s VAL 210 N 0.06 1.98 -0.11 2.92 1.01 0.00 0.27 120.40 126.53 3iaf s VAL 210 Ca -0.08 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 3iaf s VAL 210 Cb -0.15 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3iaf s VAL 210 CO 0.05 0.54 0.08 -0.76 0.00 0.00 0.00 175.10 175.00 3iaf s LEU 211 N 0.71 4.02 0.00 3.92 1.43 0.19 -0.26 118.68 128.68 3iaf s LEU 211 Ca -0.10 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 3iaf s LEU 211 Cb -0.16 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.10 3iaf s LEU 211 CO 0.01 0.38 0.01 0.61 0.23 0.00 0.00 176.35 177.58 3iaf n GLY 212 N 2.19 3.91 0.38 -3.19 0.00 -0.52 -2.51 105.19 105.45 3iaf n GLY 212 Ca -0.19 -2.26 0.16 0.00 0.00 0.00 0.00 46.02 43.73 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 0.42 0.60 0.22 1.61 4.64 -1.85 -1.79 113.55 117.41 3iaf h SER 213 Ca -0.15 0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.19 3iaf h SER 213 Cb 0.45 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3iaf h SER 213 CO 0.25 0.22 -0.25 -0.33 -0.87 0.00 0.00 176.83 175.85 3iaf h GLU 214 N 0.59 0.06 -0.72 4.77 4.39 -1.87 -1.02 114.58 120.78 3iaf h GLU 214 Ca 0.54 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 60.18 3iaf h GLU 214 Cb 1.07 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 3iaf h GLU 214 CO -0.29 0.30 0.26 0.00 -1.16 0.00 0.00 179.01 178.13 3iaf h ALA 215 N 1.70 1.12 0.00 3.43 0.00 -1.55 -2.55 119.26 121.41 3iaf h ALA 215 Ca 0.01 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3iaf h ALA 215 Cb 0.47 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3iaf h ALA 215 CO 0.03 0.62 -0.41 0.77 0.00 0.00 0.00 179.25 180.27 3iaf h SER 216 N 1.04 0.00 0.54 0.00 0.02 -1.39 0.07 113.55 113.83 3iaf h SER 216 Ca 0.24 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.01 3iaf h SER 216 Cb 0.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3iaf h SER 216 CO -0.02 0.41 -0.79 0.03 -1.14 0.00 0.00 176.83 175.32 3iaf h ARG 217 N 0.00 0.19 0.02 3.45 2.47 -0.99 -3.24 114.38 116.28 3iaf h ARG 217 Ca -0.00 -0.18 -0.29 0.00 -1.26 0.00 0.00 59.98 58.24 3iaf h ARG 217 Cb 1.19 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.51 3iaf h ARG 217 CO 0.05 0.89 -1.68 1.79 0.56 0.00 0.00 179.97 181.58 3iaf h THR 218 N 0.12 0.90 -6.35 2.04 1.35 -1.49 -3.46 112.91 106.01 3iaf h THR 218 Ca -0.03 -2.72 -0.47 0.00 -0.55 0.00 0.00 66.41 62.64 3iaf h THR 218 Cb 1.39 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 70.28 3iaf h THR 218 CO 0.12 0.57 -0.89 0.00 -0.25 0.00 0.00 175.52 175.08 3iaf n ALA 219 N -2.59 -2.14 -2.25 6.62 0.00 0.01 -4.89 120.51 115.27 3iaf n ALA 219 Ca -0.17 -0.24 -0.41 0.00 0.00 0.00 0.00 53.44 52.61 3iaf n ALA 219 Cb 1.04 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 -4.33 4.47 -0.33 0.00 1.74 -1.26 -4.75 116.66 112.20 3iaf n ARG 220 Ca -0.26 -3.74 0.02 0.00 -0.77 0.00 0.00 57.85 53.09 3iaf n ARG 220 Cb 0.66 -2.67 0.15 0.00 -1.02 0.00 0.00 32.46 29.59 3iaf n ARG 220 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3iaf h LYS 221 N 4.90 1.00 -0.46 5.56 1.57 -1.92 -1.39 116.57 125.84 3iaf h LYS 221 Ca 0.56 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 59.24 3iaf h LYS 221 Cb 0.41 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3iaf h LYS 221 CO 1.46 0.66 0.13 0.00 -0.57 0.00 0.00 179.45 181.14 3iaf h THR 222 N 1.03 1.23 -0.32 -0.16 1.03 -1.96 -0.98 112.91 112.78 3iaf h THR 222 Ca 0.40 -0.77 -0.16 0.00 -0.01 0.00 0.00 66.41 65.86 3iaf h THR 222 Cb 0.18 0.86 -0.01 0.00 -1.07 0.00 0.00 68.15 68.12 3iaf h THR 222 CO -0.18 0.28 -0.43 0.00 -0.01 0.00 0.00 175.52 175.18 3iaf h ALA 223 N 0.99 0.62 -0.19 0.00 0.00 -1.87 -2.92 119.26 115.90 3iaf h ALA 223 Ca 0.15 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3iaf h ALA 223 Cb 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3iaf h ALA 223 CO -0.00 0.67 0.11 1.25 0.00 0.00 0.00 179.25 181.29 3iaf h LEU 224 N 0.66 0.22 -0.54 0.00 5.85 -1.10 -1.50 115.31 118.90 3iaf h LEU 224 Ca 0.05 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.81 3iaf h LEU 224 Cb 1.00 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.91 3iaf h LEU 224 CO 0.10 0.20 0.14 0.28 -0.34 0.00 0.00 178.44 178.82 3iaf h SER 225 N 0.23 0.06 0.04 1.25 0.02 -1.22 0.25 113.55 114.18 3iaf h SER 225 Ca 0.07 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3iaf h SER 225 Cb 0.02 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3iaf h SER 225 CO -0.01 0.06 -0.05 0.00 -1.14 0.00 0.00 176.83 175.68 3iaf h ALA 226 N 1.41 -0.09 -0.06 3.77 0.00 -1.30 -0.34 119.26 122.65 3iaf h ALA 226 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3iaf h ALA 226 Cb 0.36 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3iaf h ALA 226 CO -0.33 -0.56 0.02 0.35 0.00 0.00 0.00 179.25 178.74 3iaf h PHE 227 N -0.11 0.04 0.00 0.00 3.04 -0.90 -2.52 116.94 116.49 3iaf h PHE 227 Ca 0.01 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 3iaf h PHE 227 Cb 0.12 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.62 3iaf h PHE 227 CO -0.11 0.02 -0.05 0.28 -2.02 0.00 0.00 178.31 176.44 3iaf h VAL 228 N 0.06 1.03 0.17 1.41 2.07 -0.38 -2.97 116.25 117.63 3iaf h VAL 228 Ca 0.03 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3iaf h VAL 228 Cb 0.01 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3iaf h VAL 228 CO -0.02 0.05 -0.08 0.00 0.02 0.00 0.00 177.57 177.54 3iaf h ALA 229 N 1.95 -0.23 -0.43 1.67 0.00 -0.69 -0.45 119.26 121.08 3iaf h ALA 229 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3iaf h ALA 229 Cb 0.09 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3iaf h ALA 229 CO 0.01 -0.32 0.18 0.00 0.00 0.00 0.00 179.25 179.12 3iaf h ALA 230 N -0.30 1.51 0.05 0.00 0.00 -1.42 -3.11 119.26 115.99 3iaf h ALA 230 Ca -0.02 -0.11 -0.34 0.00 0.00 0.00 0.00 54.91 54.43 3iaf h ALA 230 Cb 0.52 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3iaf h ALA 230 CO 0.04 0.38 -2.00 0.25 0.00 0.00 0.00 179.25 177.92 3iaf n THR 231 N -4.38 1.64 -2.90 0.00 -2.24 -1.13 -4.63 114.28 100.65 3iaf n THR 231 Ca 0.03 -0.72 -0.14 0.00 -2.27 0.00 0.00 64.05 60.95 3iaf n THR 231 Cb 0.14 -1.30 0.03 0.00 -2.10 0.00 0.00 70.33 67.10 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 1.84 -0.05 3.76 3.38 0.00 -0.18 -4.74 105.19 109.21 3iaf n GLY 232 Ca -0.28 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.03 5.31 0.67 1.61 1.01 -1.25 -4.71 120.40 120.00 3iaf s VAL 233 Ca 0.25 0.50 -0.17 0.00 0.00 0.00 0.00 61.98 62.57 3iaf s VAL 233 Cb -0.11 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3iaf s VAL 233 CO 0.31 0.45 1.25 -2.84 0.00 0.00 0.00 175.10 174.27 3iaf s PRO 234 N 0.07 2.45 -0.03 2.72 0.02 -1.26 -4.86 135.00 134.10 3iaf s PRO 234 Ca 0.16 1.91 0.03 0.00 0.02 0.00 0.00 61.00 63.13 3iaf s PRO 234 Cb -0.13 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.54 3iaf s PRO 234 CO 0.04 -1.63 -0.12 0.08 -0.33 0.00 0.00 177.00 175.04 3iaf s VAL 235 N -1.65 1.04 0.41 3.83 1.01 -0.64 -2.17 120.40 122.23 3iaf s VAL 235 Ca 0.79 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 62.32 3iaf s VAL 235 Cb -0.33 -0.92 -0.06 0.00 0.00 0.00 0.00 36.38 35.07 3iaf s VAL 235 CO 0.41 0.31 0.03 -0.36 0.00 0.00 0.00 175.10 175.49 3iaf s PHE 236 N 0.17 2.24 -0.01 5.22 0.08 0.14 -1.39 117.98 124.44 3iaf s PHE 236 Ca -0.04 -0.82 -0.28 0.00 0.12 0.00 0.00 56.93 55.91 3iaf s PHE 236 Cb -0.10 -1.61 0.09 0.00 -0.57 0.00 0.00 43.02 40.83 3iaf s PHE 236 CO 0.01 0.27 0.76 0.00 -0.10 0.00 0.00 175.22 176.17 3iaf s ALA 237 N -2.90 -1.77 0.81 5.36 0.00 -0.78 -0.64 121.76 121.86 3iaf s ALA 237 Ca 0.29 1.10 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 3iaf s ALA 237 Cb 0.08 0.18 0.09 0.00 0.00 0.00 0.00 23.12 23.47 3iaf s ALA 237 CO 0.15 -0.52 1.17 0.16 0.00 0.00 0.00 175.76 176.71 3iaf s ASP 238 N -1.83 4.36 0.39 0.00 3.84 -1.04 -1.78 116.67 120.60 3iaf s ASP 238 Ca -0.03 0.65 0.20 0.00 -0.00 0.00 0.00 52.55 53.37 3iaf s ASP 238 Cb -0.01 -1.11 1.19 0.00 -1.38 0.00 0.00 42.92 41.62 3iaf s ASP 238 CO -0.01 -1.97 1.69 1.88 -0.00 0.00 0.00 175.17 176.75 3iaf h TYR 239 N -1.06 0.73 0.00 2.11 0.05 -1.92 0.17 116.97 117.04 3iaf h TYR 239 Ca -0.45 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.24 3iaf h TYR 239 Cb 1.31 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.84 3iaf h TYR 239 CO 0.12 -0.11 -0.56 1.49 -1.05 0.00 0.00 178.16 178.05 3iaf h GLU 240 N 0.28 0.00 -0.59 4.88 4.57 -1.92 -3.27 114.58 118.54 3iaf h GLU 240 Ca 0.72 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.90 3iaf h GLU 240 Cb 1.88 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.47 3iaf h GLU 240 CO -0.45 0.56 0.00 0.41 -1.18 0.00 0.00 179.01 178.35 3iaf n GLY 241 N 1.19 1.76 0.15 1.92 0.00 0.55 -4.53 105.19 106.22 3iaf n GLY 241 Ca 0.02 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 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 3.38 0.55 -1.17 0.99 5.85 -1.52 -3.22 115.31 120.16 3iaf h LEU 242 Ca 0.00 -0.74 0.34 0.00 0.84 0.00 0.00 57.88 58.32 3iaf h LEU 242 Cb 0.82 -0.17 -0.13 0.00 0.37 0.00 0.00 40.66 41.55 3iaf h LEU 242 CO 0.02 1.21 0.66 0.28 -0.34 0.00 0.00 178.44 180.27 3iaf h SER 243 N -0.07 0.44 0.00 1.25 0.02 -1.83 0.20 113.55 113.56 3iaf h SER 243 Ca -0.07 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3iaf h SER 243 Cb 1.29 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.94 3iaf h SER 243 CO 0.12 -0.10 0.00 0.23 -1.14 0.00 0.00 176.83 175.94 3iaf n MET 244 N -4.88 0.73 -0.00 3.45 2.81 -1.22 -2.03 117.12 115.99 3iaf n MET 244 Ca 0.32 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 56.29 3iaf n MET 244 Cb 1.07 -1.25 -0.12 0.00 -0.71 0.00 0.00 33.22 32.21 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 -0.75 0.29 0.29 4.03 4.77 0.70 -4.61 117.00 121.73 3iaf n LEU 245 Ca 0.09 -0.19 0.17 0.00 -0.03 0.00 0.00 56.01 56.05 3iaf n LEU 245 Cb 0.04 0.00 0.89 0.00 -2.33 0.00 0.00 43.42 42.02 3iaf n LEU 245 CO 0.07 0.07 1.06 0.28 -1.33 0.00 0.00 177.39 177.54 3iaf h SER 246 N 0.00 0.00 -0.60 -1.43 0.02 -1.49 -2.64 113.55 107.41 3iaf h SER 246 Ca 0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 3iaf h SER 246 Cb 0.63 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.05 3iaf h SER 246 CO 0.00 0.05 0.19 0.61 -1.14 0.00 0.00 176.83 176.54 3iaf n GLY 247 N -0.77 4.10 3.45 -3.77 0.00 -1.26 -4.98 105.19 101.96 3iaf n GLY 247 Ca -0.02 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.06 2.52 0.15 0.99 1.43 -1.00 -4.84 118.68 114.87 3iaf s LEU 248 Ca 0.51 -0.84 -0.32 0.00 -1.03 0.00 0.00 54.13 52.45 3iaf s LEU 248 Cb 0.42 -1.23 -0.12 0.00 0.03 0.00 0.00 46.19 45.29 3iaf s LEU 248 CO 0.09 0.11 1.77 -2.65 0.23 0.00 0.00 176.35 175.90 3iaf n PRO 249 N 0.16 2.69 -0.12 1.29 -0.02 -1.26 -4.85 135.00 132.89 3iaf n PRO 249 Ca -0.12 0.98 0.27 0.00 -2.02 0.00 0.00 63.50 62.61 3iaf n PRO 249 Cb 0.56 -2.84 0.70 0.00 -0.02 0.00 0.00 33.50 31.90 3iaf n PRO 249 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3iaf h ASP 250 N 7.57 0.00 -0.80 2.55 3.45 -1.96 -1.01 116.42 126.22 3iaf h ASP 250 Ca -0.45 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.01 3iaf h ASP 250 Cb 1.22 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.95 3iaf h ASP 250 CO 0.94 0.00 0.49 0.00 -1.57 0.00 0.00 179.24 179.10 3iaf h ALA 251 N 1.32 1.34 -0.83 3.45 0.00 -1.98 -2.94 119.26 119.61 3iaf h ALA 251 Ca 0.39 -0.09 -0.55 0.00 0.00 0.00 0.00 54.91 54.66 3iaf h ALA 251 Cb 1.83 -0.33 -0.30 0.00 0.00 0.00 0.00 17.79 18.99 3iaf h ALA 251 CO -0.00 0.57 0.26 0.00 0.00 0.00 0.00 179.25 180.07 3iaf n MET 252 N -4.38 2.73 -3.79 0.00 -0.00 -0.39 -4.81 117.12 106.49 3iaf n MET 252 Ca 0.09 -3.47 -0.36 0.00 -0.00 0.00 0.00 57.70 53.96 3iaf n MET 252 Cb 0.06 -2.20 -0.12 0.00 -0.00 0.00 0.00 33.22 30.97 3iaf n MET 252 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 3iaf s ARG 253 N -3.61 2.03 0.38 3.17 0.52 -1.11 -1.62 118.95 118.71 3iaf s ARG 253 Ca 0.57 -1.93 0.20 0.00 -0.52 0.00 0.00 55.73 54.05 3iaf s ARG 253 Cb 0.46 -3.57 0.59 0.00 0.52 0.00 0.00 34.95 32.95 3iaf s ARG 253 CO 0.02 -1.08 1.68 0.78 0.02 0.00 0.00 175.30 176.72 3iaf h GLY 254 N 7.86 0.00 0.00 -3.53 0.00 -1.55 -3.47 103.07 102.38 3iaf h GLY 254 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3iaf h GLY 254 CO 0.69 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.84 3iaf n GLY 255 N 0.51 0.84 3.79 4.60 0.00 -1.21 -4.90 105.19 108.83 3iaf n GLY 255 Ca 0.01 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 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 4.22 0.53 0.99 1.43 -1.26 -1.86 118.68 122.73 3iaf s LEU 256 Ca 0.00 1.87 0.21 0.00 -1.03 0.00 0.00 54.13 55.18 3iaf s LEU 256 Cb 0.00 -4.15 1.34 0.00 0.03 0.00 0.00 46.19 43.41 3iaf s LEU 256 CO 0.00 -0.23 2.07 -0.37 0.23 0.00 0.00 176.35 178.05 3iaf h VAL 257 N 2.38 0.85 -1.10 -1.59 -1.51 -1.69 -0.93 116.25 112.67 3iaf h VAL 257 Ca -0.48 0.00 0.30 0.00 -1.23 0.00 0.00 66.70 65.29 3iaf h VAL 257 Cb 1.20 0.86 -0.09 0.00 -2.13 0.00 0.00 31.29 31.13 3iaf h VAL 257 CO 0.64 0.00 0.72 0.06 -1.23 0.00 0.00 177.57 177.76 3iaf h GLN 258 N 0.00 0.27 0.00 5.19 3.07 -1.86 0.87 115.11 122.65 3iaf h GLN 258 Ca 0.13 -0.02 -0.00 0.00 0.09 0.00 0.00 58.65 58.85 3iaf h GLN 258 Cb 0.54 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 28.04 3iaf h GLN 258 CO -0.00 0.18 -0.02 -0.91 0.09 0.00 0.00 178.83 178.17 3iaf h ASN 259 N 0.28 0.00 0.57 0.06 2.35 -1.51 -1.22 115.58 116.10 3iaf h ASN 259 Ca 0.61 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.36 3iaf h ASN 259 Cb 1.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.14 3iaf h ASN 259 CO -0.25 0.02 0.00 -0.11 -1.65 0.00 0.00 177.43 175.44 3iaf n LEU 260 N -3.26 0.13 0.40 1.61 7.94 0.30 -3.54 117.00 120.58 3iaf n LEU 260 Ca -0.02 0.53 -0.18 0.00 -1.11 0.00 0.00 56.01 55.23 3iaf n LEU 260 Cb 0.15 -0.51 -0.09 0.00 0.53 0.00 0.00 43.42 43.50 3iaf n LEU 260 CO 0.24 -0.30 0.59 0.22 -1.11 0.00 0.00 177.39 177.03 3iaf h TYR 261 N 0.00 -0.93 0.00 1.96 3.20 -1.35 -3.15 116.97 116.69 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 0.28 0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.86 3iaf h TYR 261 CO 0.00 -0.57 0.00 0.45 -1.64 0.00 0.00 178.16 176.40 3iaf n SER 262 N -5.50 0.21 -0.01 -2.11 2.88 -1.23 -3.45 113.62 104.40 3iaf n SER 262 Ca -0.14 0.59 -0.05 0.00 -1.33 0.00 0.00 58.87 57.95 3iaf n SER 262 Cb 0.41 -0.62 0.17 0.00 -0.75 0.00 0.00 64.21 63.42 3iaf n SER 262 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 3iaf h PHE 263 N 0.00 0.63 0.00 0.66 0.05 -1.74 -2.82 116.94 113.71 3iaf h PHE 263 Ca 0.00 -0.14 -0.00 0.00 3.82 0.00 0.00 57.97 61.65 3iaf h PHE 263 Cb 0.02 -0.15 -0.00 0.00 2.00 0.00 0.00 35.95 37.82 3iaf h PHE 263 CO 0.00 0.76 -0.02 0.00 -0.18 0.00 0.00 178.31 178.86 3iaf h ALA 264 N 1.25 1.08 -0.08 2.45 0.00 -1.78 -2.15 119.26 120.02 3iaf h ALA 264 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3iaf h ALA 264 Cb 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3iaf h ALA 264 CO 0.05 0.03 0.00 1.17 0.00 0.00 0.00 179.25 180.50 3iaf n LYS 265 N -3.22 1.31 -0.46 0.00 3.00 -1.06 -3.55 118.16 114.17 3iaf n LYS 265 Ca -0.02 -0.35 0.00 0.00 -0.00 0.00 0.00 58.31 57.94 3iaf n LYS 265 Cb 0.17 -1.25 0.00 0.00 0.00 0.00 0.00 35.03 33.95 3iaf n LYS 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3iaf n ALA 266 N -0.13 1.92 -2.47 3.14 0.00 -0.82 -4.97 120.51 117.18 3iaf n ALA 266 Ca 0.03 -0.95 -0.07 0.00 0.00 0.00 0.00 53.44 52.45 3iaf n ALA 266 Cb 0.18 -0.46 -0.00 0.00 0.00 0.00 0.00 19.45 19.17 3iaf n ALA 266 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iaf n ASP 267 N 0.00 -2.57 -0.47 0.00 10.43 -1.23 -4.79 116.55 117.92 3iaf n ASP 267 Ca 0.00 0.33 0.07 0.00 2.57 0.00 0.00 54.79 57.76 3iaf n ASP 267 Cb 0.68 -2.25 0.19 0.00 1.84 0.00 0.00 41.12 41.58 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 -2.35 3.26 -1.96 2.24 0.00 -1.15 -5.04 120.51 115.51 3iaf n ALA 268 Ca -0.08 -3.08 -0.42 0.00 0.00 0.00 0.00 53.44 49.86 3iaf n ALA 268 Cb 0.56 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 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 -3.13 3.74 0.31 0.00 0.00 -1.23 -4.79 121.76 116.67 3iaf s ALA 269 Ca 0.37 1.33 -0.24 0.00 0.00 0.00 0.00 51.96 53.41 3iaf s ALA 269 Cb 0.34 -3.60 -0.16 0.00 0.00 0.00 0.00 23.12 19.70 3iaf s ALA 269 CO -0.03 -0.75 0.30 -2.30 0.00 0.00 0.00 175.76 172.97 3iaf n PRO 270 N 3.83 0.03 -0.04 0.00 -0.02 -1.26 -4.92 135.00 132.61 3iaf n PRO 270 Ca 0.13 0.01 -0.06 0.00 -2.02 0.00 0.00 63.50 61.55 3iaf n PRO 270 Cb 0.39 -1.02 -0.14 0.00 -0.02 0.00 0.00 33.50 32.71 3iaf n PRO 270 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3iaf n ASP 271 N 2.16 0.54 -3.64 2.55 2.03 0.16 -4.28 116.55 116.07 3iaf n ASP 271 Ca 0.14 0.25 -0.06 0.00 0.52 0.00 0.00 54.79 55.64 3iaf n ASP 271 Cb 0.33 0.43 -0.07 0.00 -0.72 0.00 0.00 41.12 41.10 3iaf n ASP 271 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3iaf s LEU 272 N -5.75 -0.47 -0.08 -2.67 0.20 -1.25 -2.45 118.68 106.21 3iaf s LEU 272 Ca -0.06 0.83 -0.00 0.00 0.69 0.00 0.00 54.13 55.59 3iaf s LEU 272 Cb 0.08 1.81 0.02 0.00 -0.43 0.00 0.00 46.19 47.67 3iaf s LEU 272 CO 0.83 -0.14 -0.05 0.54 -0.29 0.00 0.00 176.35 177.24 3iaf s VAL 273 N 0.67 0.71 -0.57 1.68 0.11 -0.80 -1.64 120.40 120.56 3iaf s VAL 273 Ca -0.02 -0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 58.71 3iaf s VAL 273 Cb -0.04 -0.76 0.10 0.00 -1.53 0.00 0.00 36.38 34.14 3iaf s VAL 273 CO -0.10 0.30 0.67 -0.22 -3.33 0.00 0.00 175.10 172.42 3iaf s LEU 274 N 1.46 5.38 -0.39 2.54 2.96 0.37 -1.51 118.68 129.49 3iaf s LEU 274 Ca -0.02 -1.38 -0.22 0.00 -0.22 0.00 0.00 54.13 52.30 3iaf s LEU 274 Cb -0.13 -2.32 0.01 0.00 0.50 0.00 0.00 46.19 44.25 3iaf s LEU 274 CO -0.04 -1.06 0.70 -0.04 -1.32 0.00 0.00 176.35 174.60 3iaf s MET 275 N 2.59 3.57 -0.63 1.98 -1.94 -0.04 -0.82 119.30 124.01 3iaf s MET 275 Ca 0.11 0.00 -0.08 0.00 -1.71 0.00 0.00 55.69 54.01 3iaf s MET 275 Cb -0.24 -3.86 0.16 0.00 2.01 0.00 0.00 34.83 32.90 3iaf s MET 275 CO 0.07 -0.89 0.50 -0.51 -0.01 0.00 0.00 175.02 174.18 3iaf s LEU 276 N 2.95 5.86 0.00 -0.03 1.43 0.64 -1.35 118.68 128.17 3iaf s LEU 276 Ca 0.27 -2.47 0.00 0.00 -1.03 0.00 0.00 54.13 50.90 3iaf s LEU 276 Cb -0.14 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3iaf s LEU 276 CO 0.18 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 176.82 3iaf n GLY 277 N 4.14 0.51 3.62 -3.19 0.00 -0.58 -1.44 105.19 108.25 3iaf n GLY 277 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.38 3.57 0.10 4.61 0.00 -1.26 -3.84 121.76 122.56 3iaf s ALA 278 Ca 0.00 -0.39 -0.19 0.00 0.00 0.00 0.00 51.96 51.38 3iaf s ALA 278 Cb 0.00 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 3iaf s ALA 278 CO 0.00 -1.05 0.59 1.03 0.00 0.00 0.00 175.76 176.33 3iaf s ARG 279 N 2.81 4.22 -0.02 0.00 0.52 -1.26 -4.93 118.95 120.29 3iaf s ARG 279 Ca 0.31 0.76 -0.30 0.00 -0.52 0.00 0.00 55.73 55.98 3iaf s ARG 279 Cb -0.15 -3.19 -0.08 0.00 0.52 0.00 0.00 34.95 32.05 3iaf s ARG 279 CO 0.11 0.61 2.00 -0.06 0.02 0.00 0.00 175.30 177.98 3iaf s PHE 280 N -1.17 1.28 -2.11 -0.53 0.40 -1.26 -4.44 117.98 110.15 3iaf s PHE 280 Ca 0.31 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.39 3iaf s PHE 280 Cb -0.19 -4.18 0.00 0.00 0.51 0.00 0.00 43.02 39.16 3iaf s PHE 280 CO 0.20 -5.24 0.00 0.41 0.70 0.00 0.00 175.22 171.29 3iaf n GLY 281 N 4.76 -0.67 0.19 4.36 0.00 -1.26 -4.86 105.19 107.72 3iaf n GLY 281 Ca 0.22 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.11 -0.27 0.99 5.85 -1.95 0.74 115.31 120.56 3iaf h LEU 282 Ca 0.00 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 3iaf h LEU 282 Cb 0.00 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3iaf h LEU 282 CO 0.00 -0.02 -0.46 0.78 -0.34 0.00 0.00 178.44 178.40 3iaf h ASN 283 N 0.16 0.00 -0.52 1.25 2.35 -1.96 -3.21 115.58 113.65 3iaf h ASN 283 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3iaf h ASN 283 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3iaf h ASN 283 CO -0.36 0.46 0.00 0.35 -1.65 0.00 0.00 177.43 176.23 3iaf n THR 284 N -3.29 1.78 -1.76 2.81 -2.24 -1.13 -4.64 114.28 105.80 3iaf n THR 284 Ca 0.01 -1.29 -0.06 0.00 -2.27 0.00 0.00 64.05 60.44 3iaf n THR 284 Cb 0.67 0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 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 0.70 0.39 7.00 3.38 0.00 -0.99 -4.24 105.19 111.44 3iaf n GLY 285 Ca 0.22 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.56 0.00 -1.04 1.61 8.25 0.25 -2.20 115.22 118.54 3iaf n HIS 286 Ca -0.07 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.45 3iaf n HIS 286 Cb 0.42 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.61 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 3.19 0.29 -1.41 0.00 -1.26 -4.13 105.19 101.87 3iaf n GLY 287 Ca 0.00 -0.64 0.18 0.00 0.00 0.00 0.00 46.02 45.56 3iaf n GLY 287 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iaf h SER 288 N 0.00 0.00 -0.22 1.61 4.64 -1.79 -3.47 113.55 114.33 3iaf h SER 288 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3iaf h SER 288 Cb 0.98 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.04 3iaf h SER 288 CO 0.00 0.03 -0.09 0.61 -0.87 0.00 0.00 176.83 176.51 3iaf n GLY 289 N -0.31 0.74 0.08 -0.77 0.00 -1.26 -4.93 105.19 98.74 3iaf n GLY 289 Ca -0.01 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 0.08 0.06 0.00 1.61 4.20 -1.89 -3.35 115.11 115.82 3iaf h GLN 290 Ca -0.10 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.45 3iaf h GLN 290 Cb 0.33 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3iaf h GLN 290 CO 0.14 0.85 -0.93 1.28 -0.67 0.00 0.00 178.83 179.50 3iaf n LEU 291 N -3.27 1.58 -4.49 1.46 4.77 -1.26 -4.38 117.00 111.42 3iaf n LEU 291 Ca -0.10 0.26 -0.43 0.00 -0.03 0.00 0.00 56.01 55.70 3iaf n LEU 291 Cb 1.01 -0.59 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 3iaf n LEU 291 CO 0.47 -0.27 0.68 -0.63 -1.33 0.00 0.00 177.39 176.30 3iaf s ILE 292 N -2.55 4.46 0.57 -0.08 -1.09 -1.26 -4.85 121.20 116.40 3iaf s ILE 292 Ca -0.20 -0.02 -0.20 0.00 -2.23 0.00 0.00 60.65 58.00 3iaf s ILE 292 Cb 0.04 -4.53 -0.04 0.00 -1.58 0.00 0.00 42.46 36.34 3iaf s ILE 292 CO 0.29 -1.15 1.21 -2.84 -1.23 0.00 0.00 174.94 171.22 3iaf s PRO 293 N 3.75 3.12 0.44 2.79 0.02 -1.26 -4.06 135.00 139.80 3iaf s PRO 293 Ca 0.26 1.83 0.20 0.00 0.02 0.00 0.00 61.00 63.30 3iaf s PRO 293 Cb -0.15 -2.02 1.04 0.00 0.02 0.00 0.00 34.50 33.39 3iaf s PRO 293 CO 0.16 -1.09 1.93 0.45 -0.33 0.00 0.00 177.00 178.12 3iaf h HIS 294 N 1.10 0.00 0.00 6.54 3.86 -1.92 -2.70 115.15 122.04 3iaf h HIS 294 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 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 0.48 0.24 -0.38 0.66 0.86 0.00 0.00 177.93 179.80 3iaf h SER 295 N 0.00 0.00 -4.00 2.45 4.64 -1.92 -3.46 113.55 111.25 3iaf h SER 295 Ca -0.00 -0.06 -0.48 0.00 -0.47 0.00 0.00 61.79 60.78 3iaf h SER 295 Cb 0.53 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.64 3iaf h SER 295 CO 0.03 0.03 0.40 0.00 -0.87 0.00 0.00 176.83 176.43 3iaf s ALA 296 N -3.20 3.01 -0.34 5.18 0.00 -1.02 -4.94 121.76 120.44 3iaf s ALA 296 Ca 0.06 0.67 -0.17 0.00 0.00 0.00 0.00 51.96 52.52 3iaf s ALA 296 Cb 0.10 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 3iaf s ALA 296 CO 0.69 -0.25 0.47 -0.65 0.00 0.00 0.00 175.76 176.01 3iaf s GLN 297 N -2.78 3.62 -0.14 0.00 -0.21 -1.03 -4.90 119.66 114.23 3iaf s GLN 297 Ca 0.61 -0.22 -0.17 0.00 0.02 0.00 0.00 55.36 55.61 3iaf s GLN 297 Cb -0.20 -3.80 -0.04 0.00 1.00 0.00 0.00 33.01 29.97 3iaf s GLN 297 CO 0.25 -0.60 0.43 0.08 -2.12 0.00 0.00 175.29 173.33 3iaf s VAL 298 N 2.28 5.21 -0.24 1.09 1.01 -1.26 -1.91 120.40 126.59 3iaf s VAL 298 Ca 0.17 0.83 -0.07 0.00 0.00 0.00 0.00 61.98 62.90 3iaf s VAL 298 Cb -0.16 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3iaf s VAL 298 CO 0.13 0.32 0.07 -0.63 0.00 0.00 0.00 175.10 174.99 3iaf s ILE 299 N 0.74 4.38 -0.12 2.22 1.09 -0.57 0.01 121.20 128.96 3iaf s ILE 299 Ca 0.23 -0.15 0.03 0.00 -1.10 0.00 0.00 60.65 59.65 3iaf s ILE 299 Cb -0.15 -3.04 0.00 0.00 -1.06 0.00 0.00 42.46 38.22 3iaf s ILE 299 CO 0.08 0.36 -0.22 -1.58 -0.10 0.00 0.00 174.94 173.48 3iaf s GLN 300 N 1.42 3.07 -0.22 2.79 0.74 -0.29 -0.86 119.66 126.30 3iaf s GLN 300 Ca 0.05 -0.85 0.01 0.00 0.05 0.00 0.00 55.36 54.62 3iaf s GLN 300 Cb -0.15 -2.39 0.03 0.00 1.10 0.00 0.00 33.01 31.60 3iaf s GLN 300 CO 0.04 0.10 -0.13 0.08 -0.55 0.00 0.00 175.29 174.83 3iaf s VAL 301 N 0.55 2.38 -0.03 1.34 1.01 -0.46 -1.02 120.40 124.18 3iaf s VAL 301 Ca -0.13 -1.14 -0.07 0.00 0.00 0.00 0.00 61.98 60.63 3iaf s VAL 301 Cb -0.17 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.04 3iaf s VAL 301 CO 0.04 0.28 0.16 -0.62 0.00 0.00 0.00 175.10 174.96 3iaf s ASP 302 N 1.25 -0.08 0.55 3.32 -1.08 -0.76 -1.52 116.67 118.35 3iaf s ASP 302 Ca -0.00 0.06 0.33 0.00 -0.52 0.00 0.00 52.55 52.42 3iaf s ASP 302 Cb -0.16 0.28 1.48 0.00 -1.46 0.00 0.00 42.92 43.06 3iaf s ASP 302 CO -0.08 -0.23 2.03 1.55 0.52 0.00 0.00 175.17 178.96 3iaf h PRO 303 N 4.97 0.00 -4.99 4.34 0.13 -1.85 -3.09 132.00 131.52 3iaf h PRO 303 Ca -0.28 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.20 3iaf h PRO 303 Cb 1.19 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.11 3iaf h PRO 303 CO 0.40 0.05 -0.62 0.34 -0.23 0.00 0.00 178.00 177.94 3iaf s ASP 304 N -5.75 5.18 0.47 1.44 3.68 -1.26 -4.71 116.67 115.71 3iaf s ASP 304 Ca -0.00 -0.18 0.24 0.00 2.13 0.00 0.00 52.55 54.74 3iaf s ASP 304 Cb 0.10 -1.93 1.17 0.00 -1.45 0.00 0.00 42.92 40.82 3iaf s ASP 304 CO 0.54 -0.01 1.95 0.00 0.13 0.00 0.00 175.17 177.79 3iaf h ALA 305 N 8.06 1.20 -0.81 3.66 0.00 -1.96 -2.27 119.26 127.14 3iaf h ALA 305 Ca -0.38 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.42 3iaf h ALA 305 Cb 1.18 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 3iaf h ALA 305 CO 0.59 0.24 0.53 0.00 0.00 0.00 0.00 179.25 180.61 3iaf h GLU 307 N 0.87 0.00 -5.36 0.00 4.39 -1.82 -3.38 114.58 109.29 3iaf h GLU 307 Ca 0.35 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.93 3iaf h GLU 307 Cb 0.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 3iaf h GLU 307 CO -0.12 0.14 0.35 -0.51 -1.16 0.00 0.00 179.01 177.71 3iaf s LEU 308 N -6.49 2.78 0.00 1.33 1.02 -0.90 -2.67 118.68 113.75 3iaf s LEU 308 Ca 0.02 -0.74 0.00 0.00 0.02 0.00 0.00 54.13 53.43 3iaf s LEU 308 Cb 0.09 -2.58 0.00 0.00 0.02 0.00 0.00 46.19 43.72 3iaf s LEU 308 CO 0.62 -3.84 0.00 0.61 0.02 0.00 0.00 176.35 173.76 3iaf n GLY 309 N 6.41 0.62 0.28 -3.19 0.00 -1.26 -4.96 105.19 103.09 3iaf n GLY 309 Ca 0.43 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.74 3iaf n GLY 309 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3iaf h ARG 310 N 0.00 0.30 0.00 1.61 0.11 -1.68 -3.11 114.38 111.61 3iaf h ARG 310 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 3iaf h ARG 310 Cb 0.90 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.92 3iaf h ARG 310 CO 0.00 0.23 0.00 1.28 0.10 0.00 0.00 179.97 181.58 3iaf n LEU 311 N -4.47 0.56 -3.65 0.08 4.77 -1.26 -5.04 117.00 107.99 3iaf n LEU 311 Ca 0.00 -0.76 -0.10 0.00 -0.03 0.00 0.00 56.01 55.12 3iaf n LEU 311 Cb 0.10 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 3iaf n LEU 311 CO 0.35 0.14 0.30 -1.58 -1.33 0.00 0.00 177.39 175.27 3iaf s GLN 312 N -0.39 0.68 0.17 3.23 0.74 -1.18 -4.52 119.66 118.38 3iaf s GLN 312 Ca 0.00 1.03 -0.32 0.00 0.05 0.00 0.00 55.36 56.11 3iaf s GLN 312 Cb 0.00 0.21 -0.12 0.00 1.10 0.00 0.00 33.01 34.20 3iaf s GLN 312 CO 0.00 -0.13 1.74 0.41 -0.55 0.00 0.00 175.29 176.76 3iaf n GLY 313 N 3.67 1.50 3.56 2.59 0.00 -1.26 -4.41 105.19 110.84 3iaf n GLY 313 Ca -0.18 0.66 -0.26 0.00 0.00 0.00 0.00 46.02 46.24 3iaf n GLY 313 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iaf s ILE 314 N 1.64 3.13 0.01 -0.61 -4.36 -1.26 -4.72 121.20 115.02 3iaf s ILE 314 Ca 0.78 -1.74 -0.05 0.00 -0.26 0.00 0.00 60.65 59.38 3iaf s ILE 314 Cb -0.53 -2.56 -0.29 0.00 1.25 0.00 0.00 42.46 40.33 3iaf s ILE 314 CO 0.35 -0.15 0.89 0.00 0.24 0.00 0.00 174.94 176.27 3iaf h ALA 315 N 2.80 0.20 -3.09 2.27 0.00 -0.75 -3.46 119.26 117.23 3iaf h ALA 315 Ca -0.46 -1.06 -0.24 0.00 0.00 0.00 0.00 54.91 53.15 3iaf h ALA 315 Cb 1.21 0.26 -0.32 0.00 0.00 0.00 0.00 17.79 18.93 3iaf h ALA 315 CO 0.55 1.07 -0.57 -1.17 0.00 0.00 0.00 179.25 179.13 3iaf s LEU 316 N -7.09 0.28 -0.21 0.00 2.96 -0.98 -5.02 118.68 108.62 3iaf s LEU 316 Ca -0.09 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.24 3iaf s LEU 316 Cb 0.06 0.49 0.03 0.00 0.50 0.00 0.00 46.19 47.28 3iaf s LEU 316 CO 0.86 -0.19 -0.15 -0.83 -1.32 0.00 0.00 176.35 174.72 3iaf s GLY 317 N 1.67 1.50 -0.14 7.98 0.00 -1.26 -1.14 107.32 115.93 3iaf s GLY 317 Ca -0.05 -1.42 0.01 0.00 0.00 0.00 0.00 44.72 43.26 3iaf s GLY 317 CO -0.07 0.41 -0.16 -0.42 0.00 0.00 0.00 173.10 172.86 3iaf s ILE 318 N 1.24 2.68 -0.41 0.90 1.01 -0.19 -5.01 121.20 121.41 3iaf s ILE 318 Ca 0.00 -0.78 -0.17 0.00 0.00 0.00 0.00 60.65 59.70 3iaf s ILE 318 Cb -0.16 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.22 3iaf s ILE 318 CO -0.09 0.52 0.41 0.54 0.00 0.00 0.00 174.94 176.32 3iaf s VAL 319 N 0.62 5.11 -0.01 2.92 0.11 -1.26 -1.82 120.40 126.08 3iaf s VAL 319 Ca -0.09 -0.33 -0.29 0.00 -2.93 0.00 0.00 61.98 58.34 3iaf s VAL 319 Cb -0.16 -4.00 0.10 0.00 -1.53 0.00 0.00 36.38 30.79 3iaf s VAL 319 CO 0.03 -0.37 1.03 0.00 -3.33 0.00 0.00 175.10 172.46 3iaf s ALA 320 N 2.07 -1.89 0.19 1.54 0.00 -1.17 -4.86 121.76 117.64 3iaf s ALA 320 Ca 0.11 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 52.66 3iaf s ALA 320 Cb -0.17 0.34 -0.08 0.00 0.00 0.00 0.00 23.12 23.21 3iaf s ALA 320 CO 0.13 -0.80 1.28 0.34 0.00 0.00 0.00 175.76 176.71 3iaf s ASP 321 N -2.59 6.95 0.17 0.00 2.15 -0.40 -3.31 116.67 119.63 3iaf s ASP 321 Ca 0.09 2.34 -0.15 0.00 0.43 0.00 0.00 52.55 55.26 3iaf s ASP 321 Cb -0.00 -2.61 0.07 0.00 -0.30 0.00 0.00 42.92 40.08 3iaf s ASP 321 CO -0.05 -0.49 1.80 0.58 -0.17 0.00 0.00 175.17 176.85 3iaf h VAL 322 N 3.78 1.03 -0.73 1.11 2.07 -1.88 0.15 116.25 121.77 3iaf h VAL 322 Ca -0.45 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 3iaf h VAL 322 Cb 1.21 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3iaf h VAL 322 CO 0.77 0.10 0.36 1.23 0.02 0.00 0.00 177.57 180.04 3iaf h GLY 323 N 0.52 1.13 1.41 2.17 0.00 -1.91 -0.01 103.07 106.37 3iaf h GLY 323 Ca 0.18 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 3iaf h GLY 323 CO -0.09 0.53 -0.12 -1.33 0.00 0.00 0.00 176.54 175.53 3iaf h GLY 324 N 1.03 0.76 0.84 4.60 0.00 -1.66 -2.35 103.07 106.29 3iaf h GLY 324 Ca 0.25 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 3iaf h GLY 324 CO -0.03 0.52 -0.04 -0.84 0.00 0.00 0.00 176.54 176.15 3iaf h THR 325 N 0.64 1.27 -0.50 4.70 2.02 -0.19 -1.36 112.91 119.49 3iaf h THR 325 Ca 0.11 -1.01 0.04 0.00 0.77 0.00 0.00 66.41 66.32 3iaf h THR 325 Cb 0.58 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.38 3iaf h THR 325 CO 0.04 0.31 0.26 0.40 0.37 0.00 0.00 175.52 176.91 3iaf h ILE 326 N 0.21 0.98 -0.40 3.11 2.04 -1.03 0.16 117.51 122.58 3iaf h ILE 326 Ca 0.06 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 65.82 3iaf h ILE 326 Cb 0.48 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 3iaf h ILE 326 CO 0.02 0.09 -0.02 -0.08 0.00 0.00 0.00 178.15 178.16 3iaf h GLU 327 N 0.52 0.08 -0.60 2.37 4.57 -1.19 0.80 114.58 121.12 3iaf h GLU 327 Ca 0.22 -0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.30 3iaf h GLU 327 Cb 0.11 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 3iaf h GLU 327 CO -0.14 0.05 0.02 0.00 -1.18 0.00 0.00 179.01 177.76 3iaf h ALA 328 N 1.36 0.80 -0.48 2.92 0.00 -0.73 -0.71 119.26 122.43 3iaf h ALA 328 Ca 0.20 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3iaf h ALA 328 Cb 0.29 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3iaf h ALA 328 CO -0.35 0.63 -0.11 -0.07 0.00 0.00 0.00 179.25 179.34 3iaf h LEU 329 N 0.94 0.89 -0.77 0.00 3.38 -0.17 0.16 115.31 119.73 3iaf h LEU 329 Ca 0.17 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 3iaf h LEU 329 Cb 0.53 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3iaf h LEU 329 CO 0.03 1.01 -0.58 0.00 0.09 0.00 0.00 178.44 178.99 3iaf h ALA 330 N 1.07 0.97 0.05 1.53 0.00 -0.72 -2.98 119.26 119.17 3iaf h ALA 330 Ca 0.13 -0.53 -0.23 0.00 0.00 0.00 0.00 54.91 54.28 3iaf h ALA 330 Cb 0.64 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.36 3iaf h ALA 330 CO 0.04 0.72 -0.92 0.37 0.00 0.00 0.00 179.25 179.46 3iaf h GLN 331 N 0.07 0.54 0.00 0.00 4.15 -0.77 -3.10 115.11 116.01 3iaf h GLN 331 Ca -0.00 -0.65 0.00 0.00 0.77 0.00 0.00 58.65 58.77 3iaf h GLN 331 Cb 1.05 0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.94 3iaf h GLN 331 CO 0.08 1.26 0.00 0.00 -1.93 0.00 0.00 178.83 178.24 3iaf n ALA 332 N -2.64 1.36 0.12 3.38 0.00 0.54 -2.44 120.51 120.82 3iaf n ALA 332 Ca -0.12 0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.44 3iaf n ALA 332 Cb 0.83 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 3iaf n ALA 332 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3iaf h THR 333 N 0.00 0.91 0.00 0.00 2.02 -1.44 -3.31 112.91 111.09 3iaf h THR 333 Ca 0.00 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.86 3iaf h THR 333 Cb 0.18 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 3iaf h THR 333 CO 0.00 0.52 0.00 0.00 0.37 0.00 0.00 175.52 176.41 3iaf n ALA 334 N -2.26 2.51 -0.69 6.16 0.00 -1.02 -2.72 120.51 122.48 3iaf n ALA 334 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3iaf n ALA 334 Cb 0.77 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.98 0.95 -0.02 0.00 10.64 -1.25 -4.91 117.38 121.81 3iaf n GLN 335 Ca 0.20 -0.83 -0.02 0.00 -1.83 0.00 0.00 57.00 54.52 3iaf n GLN 335 Cb 0.09 -0.66 -0.01 0.00 -0.86 0.00 0.00 30.24 28.80 3iaf n GLN 335 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 3iaf n ASP 336 N -0.16 0.50 -3.92 2.61 4.64 -1.10 -5.01 116.55 114.10 3iaf n ASP 336 Ca 0.00 0.28 -0.27 0.00 -1.38 0.00 0.00 54.79 53.41 3iaf n ASP 336 Cb 0.42 -0.59 0.00 0.00 -1.04 0.00 0.00 41.12 39.92 3iaf n ASP 336 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3iaf n ALA 337 N -2.74 -1.72 -2.74 -1.67 0.00 -1.26 -4.89 120.51 105.49 3iaf n ALA 337 Ca -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 3iaf n ALA 337 Cb 0.09 -2.64 0.08 0.00 0.00 0.00 0.00 19.45 16.98 3iaf n ALA 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iaf n ALA 338 N -4.43 2.65 -2.61 0.00 0.00 -1.26 -5.13 120.51 109.72 3iaf n ALA 338 Ca -0.16 -2.04 -0.38 0.00 0.00 0.00 0.00 53.44 50.86 3iaf n ALA 338 Cb 0.61 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 19.12 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 -1.90 3.69 0.86 0.00 0.52 -1.26 -5.08 118.94 115.78 3iaf s TRP 339 Ca 0.20 0.86 -0.14 0.00 0.02 0.00 0.00 56.10 57.05 3iaf s TRP 339 Cb 0.39 -2.19 0.03 0.00 -1.15 0.00 0.00 33.47 30.55 3iaf s TRP 339 CO -0.07 0.67 0.60 -2.30 0.02 0.00 0.00 176.95 175.88 3iaf n PRO 340 N 1.87 -0.05 -0.25 4.98 -0.02 -1.26 -4.88 135.00 135.39 3iaf n PRO 340 Ca -0.16 0.04 0.13 0.00 -2.02 0.00 0.00 63.50 61.49 3iaf n PRO 340 Cb 0.53 -1.97 0.41 0.00 -0.02 0.00 0.00 33.50 32.45 3iaf n PRO 340 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3iaf h ASP 341 N -1.13 0.59 -6.60 2.55 3.58 -1.98 -3.46 116.42 109.98 3iaf h ASP 341 Ca -0.44 0.04 -0.53 0.00 0.42 0.00 0.00 57.03 56.52 3iaf h ASP 341 Cb 1.30 -0.08 -0.14 0.00 1.72 0.00 0.00 39.33 42.13 3iaf h ASP 341 CO 0.39 0.30 -0.83 0.54 -2.88 0.00 0.00 179.24 176.76 3iaf n ARG 342 N -4.54 -3.74 -0.08 0.28 5.12 -1.26 -4.87 116.66 107.58 3iaf n ARG 342 Ca 0.17 0.43 -0.10 0.00 -1.93 0.00 0.00 57.85 56.42 3iaf n ARG 342 Cb 0.48 -5.09 -0.09 0.00 -1.16 0.00 0.00 32.46 26.60 3iaf n ARG 342 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3iaf n GLY 343 N -1.56 -0.40 0.13 -0.13 0.00 -1.26 -4.00 105.19 97.97 3iaf n GLY 343 Ca -0.00 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.99 3iaf n GLY 343 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3iaf h ASP 344 N 0.00 0.00 0.21 1.61 3.32 -1.98 -1.19 116.42 118.38 3iaf h ASP 344 Ca -0.37 -0.04 -0.35 0.00 0.02 0.00 0.00 57.03 56.29 3iaf h ASP 344 Cb 1.67 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.23 3iaf h ASP 344 CO -0.03 0.02 -1.73 -0.25 -1.72 0.00 0.00 179.24 175.53 3iaf h TRP 345 N 0.00 0.73 -0.90 4.55 2.91 -1.92 -2.91 115.95 118.41 3iaf h TRP 345 Ca 0.00 -0.53 0.04 0.00 1.13 0.00 0.00 58.89 59.53 3iaf h TRP 345 Cb 0.84 -0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 29.41 3iaf h TRP 345 CO 0.00 1.66 0.59 0.00 -1.03 0.00 0.00 178.44 179.66 3iaf h ALA 347 N 1.48 -0.01 -0.18 0.00 0.00 -1.30 0.12 119.26 119.37 3iaf h ALA 347 Ca 0.36 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 3iaf h ALA 347 Cb 0.04 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3iaf h ALA 347 CO -0.11 -0.57 0.10 -0.22 0.00 0.00 0.00 179.25 178.46 3iaf h LYS 348 N -0.14 0.25 -0.48 0.00 1.63 -1.11 0.26 116.57 116.99 3iaf h LYS 348 Ca 0.10 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 3iaf h LYS 348 Cb 0.28 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 3iaf h LYS 348 CO -0.24 0.22 0.31 0.28 -3.45 0.00 0.00 179.45 176.58 3iaf h VAL 349 N 0.20 1.13 -0.15 2.00 2.07 -0.77 -1.62 116.25 119.12 3iaf h VAL 349 Ca 0.06 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3iaf h VAL 349 Cb 0.04 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3iaf h VAL 349 CO -0.01 0.13 0.07 0.74 0.02 0.00 0.00 177.57 178.52 3iaf h THR 350 N 0.65 1.12 -0.35 2.57 2.02 -0.64 -2.54 112.91 115.74 3iaf h THR 350 Ca 0.18 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 67.03 3iaf h THR 350 Cb -0.06 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 3iaf h THR 350 CO -0.04 0.11 0.17 0.44 0.37 0.00 0.00 175.52 176.57 3iaf h ASP 351 N 0.11 0.24 -0.50 4.18 3.45 -0.77 -1.56 116.42 121.58 3iaf h ASP 351 Ca 0.05 0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.50 3iaf h ASP 351 Cb 0.11 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 3iaf h ASP 351 CO -0.01 0.18 0.20 -0.07 -1.57 0.00 0.00 179.24 177.98 3iaf h LEU 352 N 0.35 0.69 0.89 1.55 4.07 -1.30 0.11 115.31 121.66 3iaf h LEU 352 Ca 0.15 -0.17 -0.04 0.00 0.08 0.00 0.00 57.88 57.90 3iaf h LEU 352 Cb 0.07 -0.18 0.01 0.00 1.08 0.00 0.00 40.66 41.64 3iaf h LEU 352 CO -0.11 0.67 -0.43 0.00 -1.08 0.00 0.00 178.44 177.49 3iaf h ALA 353 N 1.05 -1.19 -0.71 1.53 0.00 -1.19 -0.86 119.26 117.88 3iaf h ALA 353 Ca 0.17 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.90 3iaf h ALA 353 Cb 0.19 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 3iaf h ALA 353 CO -0.01 -1.13 0.47 0.37 0.00 0.00 0.00 179.25 178.95 3iaf h GLN 354 N -1.28 0.63 -0.51 0.00 5.75 -1.32 -1.90 115.11 116.49 3iaf h GLN 354 Ca -0.12 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.32 3iaf h GLN 354 Cb 0.92 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.30 3iaf h GLN 354 CO 0.20 0.41 0.22 1.49 -2.65 0.00 0.00 178.83 178.50 3iaf h GLU 355 N 0.64 0.74 -0.81 1.69 4.81 -0.62 -1.37 114.58 119.67 3iaf h GLU 355 Ca 0.32 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3iaf h GLU 355 Cb 0.41 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 3iaf h GLU 355 CO -0.11 0.64 0.40 -0.09 -0.73 0.00 0.00 179.01 179.12 3iaf h ARG 356 N 0.67 1.17 0.02 1.92 2.43 -0.44 -1.98 114.38 118.17 3iaf h ARG 356 Ca 0.17 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3iaf h ARG 356 Cb 0.16 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3iaf h ARG 356 CO -0.02 0.90 -0.01 -0.92 -1.51 0.00 0.00 179.97 178.41 3iaf h TYR 357 N 1.15 -0.03 -0.13 2.20 3.20 -0.96 -2.66 116.97 119.73 3iaf h TYR 357 Ca 0.28 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.09 3iaf h TYR 357 Cb 0.11 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3iaf h TYR 357 CO 0.01 0.04 -0.17 0.00 -1.64 0.00 0.00 178.16 176.40 3iaf h ALA 358 N 0.89 1.47 0.00 1.82 0.00 -1.23 -2.72 119.26 119.50 3iaf h ALA 358 Ca -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3iaf h ALA 358 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3iaf h ALA 358 CO 0.01 0.38 -0.17 1.03 0.00 0.00 0.00 179.25 180.49 3iaf h SER 359 N 0.21 0.00 0.28 0.00 0.87 -1.02 -0.21 113.55 113.67 3iaf h SER 359 Ca 0.04 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.26 3iaf h SER 359 Cb 0.43 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.43 3iaf h SER 359 CO 0.03 0.17 -1.48 0.40 -0.53 0.00 0.00 176.83 175.41 3iaf h ILE 360 N 0.00 1.28 -0.08 2.23 2.04 -1.23 -3.22 117.51 118.52 3iaf h ILE 360 Ca -0.00 -2.72 -0.04 0.00 1.00 0.00 0.00 64.86 63.10 3iaf h ILE 360 Cb 0.30 3.03 -0.01 0.00 -0.74 0.00 0.00 36.82 39.41 3iaf h ILE 360 CO 0.02 0.82 -0.14 0.00 0.00 0.00 0.00 178.15 178.85 3iaf h ALA 361 N 0.18 1.61 0.00 1.87 0.00 -1.25 -1.52 119.26 120.14 3iaf h ALA 361 Ca -0.26 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 3iaf h ALA 361 Cb 2.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 3iaf h ALA 361 CO 0.27 0.29 -0.38 0.00 0.00 0.00 0.00 179.25 179.43 3iaf h ALA 362 N 1.74 1.17 0.00 0.00 0.00 -1.11 -3.24 119.26 117.81 3iaf h ALA 362 Ca 0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3iaf h ALA 362 Cb 0.33 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3iaf h ALA 362 CO 0.02 0.47 -1.50 1.63 0.00 0.00 0.00 179.25 179.87 3iaf n LYS 363 N -3.79 0.63 -2.94 0.00 4.76 -0.82 -4.94 118.16 111.06 3iaf n LYS 363 Ca -0.01 -0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 54.99 3iaf n LYS 363 Cb 0.45 -1.68 -0.05 0.00 -1.84 0.00 0.00 35.03 31.91 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 -5.01 6.62 0.12 4.39 0.01 -0.64 -5.05 113.70 114.14 3iaf s SER 364 Ca -0.04 0.53 0.03 0.00 1.31 0.00 0.00 55.95 57.78 3iaf s SER 364 Cb 0.11 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 3iaf s SER 364 CO 0.85 -0.68 0.19 -0.44 0.41 0.00 0.00 173.24 173.57 3iaf s SER 365 N 1.73 5.99 -0.06 2.44 0.01 -1.26 -4.96 113.70 117.58 3iaf s SER 365 Ca 0.32 0.09 0.10 0.00 1.31 0.00 0.00 55.95 57.77 3iaf s SER 365 Cb -0.14 -1.73 0.18 0.00 0.21 0.00 0.00 66.02 64.55 3iaf s SER 365 CO 0.15 0.11 1.09 -1.20 0.41 0.00 0.00 173.24 173.79 3iaf n SER 366 N -0.09 1.03 0.13 2.44 7.64 -1.26 -4.08 113.62 119.42 3iaf n SER 366 Ca -0.07 -2.51 0.13 0.00 1.01 0.00 0.00 58.87 57.42 3iaf n SER 366 Cb 0.53 -0.31 0.43 0.00 -1.01 0.00 0.00 64.21 63.85 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 0.19 0.00 0.00 1.43 4.22 -2.01 -3.35 114.58 115.06 3iaf h GLU 367 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.41 3iaf h GLU 367 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3iaf h GLU 367 CO 0.01 0.00 -0.29 0.72 -2.18 0.00 0.00 179.01 177.27 3iaf n HIS 368 N -2.37 0.00 -3.72 0.92 8.25 -1.26 -5.09 115.22 111.95 3iaf n HIS 368 Ca 0.04 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.36 3iaf n HIS 368 Cb 0.36 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.83 -1.01 -0.16 -1.41 0.00 -1.26 -5.07 121.76 112.02 3iaf s ALA 369 Ca 0.00 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.57 3iaf s ALA 369 Cb 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 3iaf s ALA 369 CO 0.00 -0.23 2.04 -1.17 0.00 0.00 0.00 175.76 176.39 3iaf s LEU 370 N -0.43 3.76 0.11 0.00 2.96 -1.26 -4.41 118.68 119.42 3iaf s LEU 370 Ca -0.06 2.00 -0.31 0.00 -0.22 0.00 0.00 54.13 55.54 3iaf s LEU 370 Cb -0.03 -3.52 -0.09 0.00 0.50 0.00 0.00 46.19 43.04 3iaf s LEU 370 CO 0.03 -1.61 1.66 -2.28 -1.32 0.00 0.00 176.35 172.82 3iaf s HIS 371 N 6.78 2.59 0.42 5.38 5.65 -1.26 -1.70 115.29 133.15 3iaf s HIS 371 Ca 0.92 0.36 0.24 0.00 0.25 0.00 0.00 55.06 56.82 3iaf s HIS 371 Cb -0.33 -4.00 1.24 0.00 -1.18 0.00 0.00 32.58 28.31 3iaf s HIS 371 CO 0.36 -3.92 1.73 -1.35 -0.65 0.00 0.00 174.74 170.91 3iaf h PRO 372 N 7.84 0.26 -0.39 2.88 0.11 -1.92 0.12 132.00 140.91 3iaf h PRO 372 Ca -0.43 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 3iaf h PRO 372 Cb 1.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3iaf h PRO 372 CO 0.93 0.17 -0.38 0.35 -0.21 0.00 0.00 178.00 178.86 3iaf h PHE 373 N 0.26 1.12 -0.32 0.65 3.04 -1.89 0.61 116.94 120.40 3iaf h PHE 373 Ca 0.66 -0.33 -0.03 0.00 3.98 0.00 0.00 57.97 62.25 3iaf h PHE 373 Cb 1.90 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 40.16 3iaf h PHE 373 CO -0.00 1.16 0.10 0.45 -2.02 0.00 0.00 178.31 177.99 3iaf h HIS 374 N 0.76 0.53 -0.04 0.41 3.86 -1.19 -2.33 115.15 117.16 3iaf h HIS 374 Ca 0.06 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 3iaf h HIS 374 Cb 0.97 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 3iaf h HIS 374 CO 0.06 0.54 -0.17 0.00 0.86 0.00 0.00 177.93 179.21 3iaf h ALA 375 N 0.93 1.65 -0.30 2.45 0.00 -1.12 -2.12 119.26 120.75 3iaf h ALA 375 Ca 0.10 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3iaf h ALA 375 Cb 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3iaf h ALA 375 CO -0.00 0.26 -0.22 0.77 0.00 0.00 0.00 179.25 180.06 3iaf h SER 376 N 0.05 0.56 0.16 0.00 0.02 -0.60 -3.12 113.55 110.63 3iaf h SER 376 Ca 0.01 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.67 3iaf h SER 376 Cb 0.34 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3iaf h SER 376 CO 0.02 0.79 -0.35 1.56 -1.14 0.00 0.00 176.83 177.71 3iaf h GLN 377 N 0.50 0.27 -0.07 3.45 4.20 -0.83 -2.10 115.11 120.52 3iaf h GLN 377 Ca 0.08 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.69 3iaf h GLN 377 Cb 0.66 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 3iaf h GLN 377 CO 0.05 0.60 0.11 0.28 -0.67 0.00 0.00 178.83 179.20 3iaf h VAL 378 N 0.24 0.32 0.06 -0.54 2.07 -1.46 -0.55 116.25 116.40 3iaf h VAL 378 Ca 0.03 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.22 3iaf h VAL 378 Cb 0.74 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3iaf h VAL 378 CO 0.06 0.00 -1.88 -0.38 0.02 0.00 0.00 177.57 175.39 3iaf n ILE 379 N -3.55 1.69 0.15 4.57 5.41 -0.86 -4.42 119.36 122.35 3iaf n ILE 379 Ca -0.01 -0.73 -0.14 0.00 1.00 0.00 0.00 62.75 62.87 3iaf n ILE 379 Cb 0.20 -1.37 -0.08 0.00 -0.71 0.00 0.00 39.64 37.69 3iaf n ILE 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3iaf h ALA 380 N 0.54 -0.31 0.00 -1.39 0.00 -0.48 -1.92 119.26 115.70 3iaf h ALA 380 Ca -0.36 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3iaf h ALA 380 Cb 2.03 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.94 3iaf h ALA 380 CO 0.08 -0.65 0.00 0.36 0.00 0.00 0.00 179.25 179.04 3iaf n LYS 381 N -5.20 0.45 -0.08 0.00 2.85 -0.98 -1.62 118.16 113.58 3iaf n LYS 381 Ca -0.09 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.22 3iaf n LYS 381 Cb 0.16 -1.29 0.09 0.00 -0.65 0.00 0.00 35.03 33.34 3iaf n LYS 381 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3iaf n HIS 382 N -0.79 0.20 -3.88 5.58 8.25 -0.73 -5.01 115.22 118.84 3iaf n HIS 382 Ca 0.06 -0.22 -0.36 0.00 -0.26 0.00 0.00 57.72 56.95 3iaf n HIS 382 Cb 0.03 -0.01 -0.13 0.00 1.12 0.00 0.00 29.99 31.00 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 -0.96 4.09 0.19 1.59 1.01 -0.64 -4.95 120.40 120.73 3iaf s VAL 383 Ca 0.17 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.94 3iaf s VAL 383 Cb 0.10 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 3iaf s VAL 383 CO 0.15 0.38 0.17 -0.90 0.00 0.00 0.00 175.10 174.90 3iaf n ASP 384 N 4.66 -0.43 0.00 3.32 5.68 -1.26 -4.20 116.55 124.32 3iaf n ASP 384 Ca -0.17 -2.24 0.00 0.00 -0.50 0.00 0.00 54.79 51.89 3iaf n ASP 384 Cb 0.51 0.98 0.02 0.00 -1.14 0.00 0.00 41.12 41.50 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 -1.69 1.22 0.33 2.12 0.00 -0.95 -1.45 120.51 120.09 3iaf n ALA 385 Ca -0.07 -0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.46 3iaf n ALA 385 Cb 0.34 -1.02 0.15 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.24 1.36 3.54 0.00 0.00 -1.26 -3.51 105.19 104.08 3iaf n GLY 386 Ca 0.00 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.33 3.37 -0.21 1.61 1.01 -0.53 -1.11 120.40 123.21 3iaf s VAL 387 Ca 0.29 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 3iaf s VAL 387 Cb 0.18 -2.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 3iaf s VAL 387 CO 0.25 0.51 -0.07 -0.89 0.00 0.00 0.00 175.10 174.91 3iaf s THR 388 N -0.85 3.17 -0.26 3.92 2.01 -0.16 -0.62 115.64 122.85 3iaf s THR 388 Ca 0.14 -0.56 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 3iaf s THR 388 Cb -0.11 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 3iaf s THR 388 CO 0.03 0.44 0.12 -0.69 -0.69 0.00 0.00 174.62 173.84 3iaf s VAL 389 N 1.45 4.76 -0.20 3.82 1.01 0.23 -0.16 120.40 131.31 3iaf s VAL 389 Ca 0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 3iaf s VAL 389 Cb -0.14 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3iaf s VAL 389 CO -0.05 0.30 0.02 -0.69 0.00 0.00 0.00 175.10 174.68 3iaf s VAL 390 N 1.68 4.11 -0.13 2.92 1.01 -0.14 -0.47 120.40 129.38 3iaf s VAL 390 Ca 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 3iaf s VAL 390 Cb -0.15 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 3iaf s VAL 390 CO 0.07 0.42 -0.08 0.00 0.00 0.00 0.00 175.10 175.51 3iaf s ALA 391 N 0.96 2.85 0.26 5.51 0.00 0.39 -0.35 121.76 131.38 3iaf s ALA 391 Ca 0.02 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.13 3iaf s ALA 391 Cb -0.14 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 3iaf s ALA 391 CO 0.02 0.29 0.24 0.34 0.00 0.00 0.00 175.76 176.66 3iaf s ASP 392 N 0.15 0.70 0.13 0.00 -1.08 -0.42 -4.05 116.67 112.08 3iaf s ASP 392 Ca -0.04 -1.48 0.00 0.00 -0.52 0.00 0.00 52.55 50.51 3iaf s ASP 392 Cb -0.14 0.48 0.00 0.00 -1.46 0.00 0.00 42.92 41.80 3iaf s ASP 392 CO 0.04 -0.98 0.00 0.61 0.52 0.00 0.00 175.17 175.35 3iaf n GLY 393 N -0.42 -3.87 0.14 2.66 0.00 -1.26 -3.57 105.19 98.87 3iaf n GLY 393 Ca 0.03 -0.81 -0.05 0.00 0.00 0.00 0.00 46.02 45.20 3iaf n GLY 393 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iaf h ALA 394 N 0.96 -0.82 -0.63 4.61 0.00 -1.98 -1.92 119.26 119.49 3iaf h ALA 394 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3iaf h ALA 394 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3iaf h ALA 394 CO 0.00 -0.79 0.42 -0.07 0.00 0.00 0.00 179.25 178.80 3iaf h LEU 395 N -0.43 0.71 0.03 0.00 3.38 -1.94 -1.87 115.31 115.18 3iaf h LEU 395 Ca -0.03 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3iaf h LEU 395 Cb 0.26 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3iaf h LEU 395 CO 0.06 0.51 -0.33 0.74 0.09 0.00 0.00 178.44 179.50 3iaf h THR 396 N 0.84 0.00 0.00 0.22 2.02 -1.84 -2.92 112.91 111.22 3iaf h THR 396 Ca 0.23 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.33 3iaf h THR 396 Cb -0.07 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.32 3iaf h THR 396 CO -0.05 0.00 -0.37 0.10 0.37 0.00 0.00 175.52 175.56 3iaf h TYR 397 N -0.44 0.00 -0.60 3.16 -0.00 -0.79 -1.02 116.97 117.28 3iaf h TYR 397 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.65 3iaf h TYR 397 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.17 3iaf h TYR 397 CO -0.43 0.37 0.06 -0.07 -0.00 0.00 0.00 178.16 178.09 3iaf h LEU 398 N 0.00 0.98 -0.13 0.10 3.38 -1.38 -2.01 115.31 116.25 3iaf h LEU 398 Ca -0.00 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 3iaf h LEU 398 Cb 0.79 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3iaf h LEU 398 CO 0.05 1.01 -0.28 -0.50 0.09 0.00 0.00 178.44 178.82 3iaf h TRP 399 N 0.91 0.52 0.00 1.13 4.06 -1.29 -3.29 115.95 117.99 3iaf h TRP 399 Ca 0.18 -0.19 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 3iaf h TRP 399 Cb 0.47 -0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 28.54 3iaf h TRP 399 CO 0.03 0.89 -0.02 1.25 -3.56 0.00 0.00 178.44 177.04 3iaf h LEU 400 N -0.00 0.00 -0.84 -4.49 5.85 -1.13 -1.92 115.31 112.78 3iaf h LEU 400 Ca 0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 3iaf h LEU 400 Cb 0.87 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3iaf h LEU 400 CO 0.06 0.02 -0.52 0.77 -0.34 0.00 0.00 178.44 178.43 3iaf h SER 401 N 0.00 0.18 0.06 1.25 4.64 -1.43 -3.13 113.55 115.11 3iaf h SER 401 Ca -0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3iaf h SER 401 Cb 0.04 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3iaf h SER 401 CO 0.00 0.67 0.00 -0.62 -0.87 0.00 0.00 176.83 176.01 3iaf n GLU 402 N -3.93 0.06 -0.06 4.77 -0.58 -0.72 -1.71 120.64 118.47 3iaf n GLU 402 Ca -0.02 0.53 -0.07 0.00 -0.42 0.00 0.00 57.16 57.18 3iaf n GLU 402 Cb 0.55 -1.68 -0.07 0.00 -0.57 0.00 0.00 31.44 29.67 3iaf n GLU 402 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3iaf n VAL 403 N -1.79 0.76 0.33 2.62 0.24 -1.21 -4.74 118.33 114.54 3iaf n VAL 403 Ca -0.00 -0.38 0.14 0.00 -2.04 0.00 0.00 64.34 62.07 3iaf n VAL 403 Cb 0.03 -0.85 0.77 0.00 -1.47 0.00 0.00 33.84 32.32 3iaf n VAL 403 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 3iaf h MET 404 N 0.00 0.00 -0.13 7.34 2.86 -1.28 -2.59 114.93 121.13 3iaf h MET 404 Ca -0.30 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.24 3iaf h MET 404 Cb 1.56 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.21 3iaf h MET 404 CO -0.02 0.00 -0.38 0.77 1.06 0.00 0.00 176.91 178.34 3iaf h SER 405 N 0.00 0.29 0.26 1.22 0.02 -1.85 -3.25 113.55 110.24 3iaf h SER 405 Ca 0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3iaf h SER 405 Cb 0.73 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.19 3iaf h SER 405 CO 0.00 0.66 -1.45 -2.11 -1.14 0.00 0.00 176.83 172.78 3iaf n ARG 406 N -4.05 0.46 -2.41 3.45 1.85 -0.98 -4.57 116.66 110.42 3iaf n ARG 406 Ca -0.01 -0.07 -0.24 0.00 -1.00 0.00 0.00 57.85 56.52 3iaf n ARG 406 Cb 0.46 -1.58 0.08 0.00 -1.05 0.00 0.00 32.46 30.38 3iaf n ARG 406 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 3iaf s VAL 407 N -3.34 2.31 -0.30 8.89 -7.23 -1.23 -5.11 120.40 114.40 3iaf s VAL 407 Ca -0.02 -0.45 -0.00 0.00 -1.81 0.00 0.00 61.98 59.70 3iaf s VAL 407 Cb 0.14 -2.87 0.13 0.00 0.56 0.00 0.00 36.38 34.34 3iaf s VAL 407 CO 0.86 0.00 0.28 -1.59 -0.31 0.00 0.00 175.10 174.34 3iaf s LYS 408 N -5.14 0.36 0.60 4.82 -2.85 -1.26 -4.95 119.74 111.32 3iaf s LYS 408 Ca 0.62 -0.36 -0.08 0.00 -1.00 0.00 0.00 55.97 55.16 3iaf s LYS 408 Cb -0.08 -0.77 -0.00 0.00 -2.06 0.00 0.00 37.83 34.92 3iaf s LYS 408 CO 0.44 -1.06 0.94 -1.25 0.10 0.00 0.00 175.35 174.52 3iaf s PRO 409 N 2.13 3.06 0.12 1.78 0.04 -1.26 -2.24 135.00 138.62 3iaf s PRO 409 Ca 0.11 0.20 -0.04 0.00 0.04 0.00 0.00 61.00 61.31 3iaf s PRO 409 Cb -0.15 -2.21 -0.14 0.00 0.04 0.00 0.00 34.50 32.04 3iaf s PRO 409 CO -0.28 -0.69 1.26 0.78 0.04 0.00 0.00 177.00 178.11 3iaf h GLY 410 N -0.24 0.39 -6.08 0.56 0.00 -0.74 -3.43 103.07 93.52 3iaf h GLY 410 Ca -0.45 -0.77 -0.26 0.00 0.00 0.00 0.00 47.33 45.84 3iaf h GLY 410 CO 0.62 0.68 -0.70 -0.32 0.00 0.00 0.00 176.54 176.82 3iaf s GLY 411 N -4.50 0.04 -0.16 4.60 0.00 -0.96 -4.90 107.32 101.44 3iaf s GLY 411 Ca -0.05 0.26 -0.02 0.00 0.00 0.00 0.00 44.72 44.91 3iaf s GLY 411 CO 0.87 0.47 -0.01 -0.12 0.00 0.00 0.00 173.10 174.32 3iaf s PHE 412 N 0.65 1.23 -0.23 1.90 5.36 -1.26 0.75 117.98 126.39 3iaf s PHE 412 Ca -0.05 -0.82 0.01 0.00 -0.96 0.00 0.00 56.93 55.11 3iaf s PHE 412 Cb -0.08 -1.10 0.06 0.00 -0.34 0.00 0.00 43.02 41.56 3iaf s PHE 412 CO -0.02 -0.56 -0.06 -0.51 -1.46 0.00 0.00 175.22 172.61 3iaf s LEU 413 N 1.79 2.54 0.00 6.12 1.43 0.38 -4.58 118.68 126.35 3iaf s LEU 413 Ca 0.01 -1.12 0.01 0.00 -1.03 0.00 0.00 54.13 51.99 3iaf s LEU 413 Cb -0.15 -1.20 -0.00 0.00 0.03 0.00 0.00 46.19 44.86 3iaf s LEU 413 CO -0.07 -0.22 0.04 0.00 0.23 0.00 0.00 176.35 176.33 3iaf s HIS 415 N -2.15 2.15 0.00 0.00 3.76 -1.26 -4.95 115.29 112.85 3iaf s HIS 415 Ca 0.05 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.46 3iaf s HIS 415 Cb 0.00 -3.63 0.00 0.00 1.11 0.00 0.00 32.58 30.06 3iaf s HIS 415 CO 0.04 -2.73 0.00 0.41 -0.85 0.00 0.00 174.74 171.61 3iaf n GLY 416 N 0.77 2.75 0.23 -2.22 0.00 -1.26 -4.93 105.19 100.53 3iaf n GLY 416 Ca 0.15 -1.88 0.08 0.00 0.00 0.00 0.00 46.02 44.37 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 0.00 0.00 -0.17 1.61 0.05 -1.93 -2.77 116.97 113.75 3iaf h TYR 417 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3iaf h TYR 417 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3iaf h TYR 417 CO 0.00 0.23 0.05 1.25 -1.05 0.00 0.00 178.16 178.65 3iaf h LEU 418 N 0.00 0.21 1.76 3.88 7.12 -1.92 -3.46 115.31 122.91 3iaf h LEU 418 Ca -0.00 -0.01 -0.39 0.00 0.13 0.00 0.00 57.88 57.60 3iaf h LEU 418 Cb 0.53 -0.05 -0.10 0.00 -0.53 0.00 0.00 40.66 40.50 3iaf h LEU 418 CO 0.03 0.21 -0.41 0.61 -0.13 0.00 0.00 178.44 178.75 3iaf n GLY 419 N -1.34 0.91 3.56 3.75 0.00 -1.05 -4.89 105.19 106.12 3iaf n GLY 419 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.40 5.90 0.11 1.61 0.15 -1.26 -4.97 113.70 112.84 3iaf s SER 420 Ca 0.00 -0.08 -0.31 0.00 0.70 0.00 0.00 55.95 56.26 3iaf s SER 420 Cb 0.00 -2.55 -0.10 0.00 -1.71 0.00 0.00 66.02 61.66 3iaf s SER 420 CO 0.00 -1.97 1.75 -0.04 1.20 0.00 0.00 173.24 174.19 3iaf s MET 421 N 6.06 4.16 0.00 5.44 -1.94 -1.26 -3.06 119.30 128.70 3iaf s MET 421 Ca 0.47 2.49 0.00 0.00 -1.71 0.00 0.00 55.69 56.95 3iaf s MET 421 Cb -0.10 -3.55 0.00 0.00 2.01 0.00 0.00 34.83 33.19 3iaf s MET 421 CO 0.19 -0.79 0.00 0.41 -0.01 0.00 0.00 175.02 174.82 3iaf n GLY 422 N 4.12 1.05 0.19 -0.03 0.00 -1.26 -4.95 105.19 104.30 3iaf n GLY 422 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 3iaf n GLY 422 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3iaf h VAL 423 N 0.00 0.49 -0.97 1.61 -1.51 -1.87 -3.37 116.25 110.63 3iaf h VAL 423 Ca 0.00 -1.55 0.11 0.00 -1.23 0.00 0.00 66.70 64.03 3iaf h VAL 423 Cb 0.00 2.13 -0.08 0.00 -2.13 0.00 0.00 31.29 31.21 3iaf h VAL 423 CO 0.00 0.26 0.60 1.23 -1.23 0.00 0.00 177.57 178.43 3iaf h GLY 424 N 3.34 1.55 0.86 5.19 0.00 -1.86 -1.80 103.07 110.35 3iaf h GLY 424 Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 3iaf h GLY 424 CO 0.03 0.18 -0.15 -2.75 0.00 0.00 0.00 176.54 173.86 3iaf h PHE 425 N 0.98 -0.38 -0.18 5.60 -0.00 -1.94 0.44 116.94 121.45 3iaf h PHE 425 Ca 0.47 -0.01 0.03 0.00 -0.00 0.00 0.00 57.97 58.46 3iaf h PHE 425 Cb 0.42 0.13 -0.03 0.00 -0.00 0.00 0.00 35.95 36.47 3iaf h PHE 425 CO -0.02 -0.15 0.01 0.78 -0.00 0.00 0.00 178.31 178.94 3iaf h GLY 426 N -0.55 0.18 0.61 2.40 0.00 -1.77 0.12 103.07 104.06 3iaf h GLY 426 Ca -0.04 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.37 3iaf h GLY 426 CO 0.07 -0.02 0.43 -0.84 0.00 0.00 0.00 176.54 176.17 3iaf h THR 427 N 0.07 0.95 -0.16 4.70 2.02 -1.23 -2.09 112.91 117.18 3iaf h THR 427 Ca 0.08 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 3iaf h THR 427 Cb 0.10 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 3iaf h THR 427 CO -0.13 0.14 -0.01 0.00 0.37 0.00 0.00 175.52 175.89 3iaf h ALA 428 N 1.40 0.21 -0.04 6.16 0.00 0.43 -1.79 119.26 125.63 3iaf h ALA 428 Ca 0.35 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3iaf h ALA 428 Cb 0.26 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3iaf h ALA 428 CO -0.21 -0.07 -0.15 1.25 0.00 0.00 0.00 179.25 180.07 3iaf h LEU 429 N 0.01 -0.44 -1.45 0.00 6.46 -0.58 -1.57 115.31 117.75 3iaf h LEU 429 Ca 0.04 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 3iaf h LEU 429 Cb 0.40 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 3iaf h LEU 429 CO 0.01 -0.20 0.00 1.23 -0.62 0.00 0.00 178.44 178.86 3iaf h GLY 430 N -0.22 0.00 1.89 3.75 0.00 -1.41 -2.20 103.07 104.88 3iaf h GLY 430 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.21 3iaf h GLY 430 CO -0.17 0.00 -0.84 0.00 0.00 0.00 0.00 176.54 175.52 3iaf h ALA 431 N 2.05 0.59 -0.52 3.60 0.00 -0.40 -2.62 119.26 121.97 3iaf h ALA 431 Ca 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 3iaf h ALA 431 Cb 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3iaf h ALA 431 CO 0.00 0.96 0.25 1.96 0.00 0.00 0.00 179.25 182.42 3iaf h GLN 432 N 0.05 0.75 -6.78 0.00 1.08 -0.67 -2.58 115.11 106.97 3iaf h GLN 432 Ca -0.03 -0.11 -0.52 0.00 -1.45 0.00 0.00 58.65 56.55 3iaf h GLN 432 Cb 1.47 -0.13 0.03 0.00 -0.05 0.00 0.00 27.48 28.80 3iaf h GLN 432 CO 0.12 0.63 0.56 0.08 -0.95 0.00 0.00 178.83 179.27 3iaf s VAL 433 N -5.69 3.26 0.00 -0.54 1.01 -1.21 0.23 120.40 117.46 3iaf s VAL 433 Ca -0.13 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.03 3iaf s VAL 433 Cb 0.12 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3iaf s VAL 433 CO 0.77 0.25 0.00 0.00 0.00 0.00 0.00 175.10 176.12 3iaf n ALA 434 N 1.58 0.00 -0.03 5.51 0.00 -1.26 -4.65 120.51 121.66 3iaf n ALA 434 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 3iaf n ALA 434 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 3iaf n ALA 434 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iaf n ASP 435 N 0.00 2.36 0.20 0.00 8.00 -0.75 -3.91 116.55 122.45 3iaf n ASP 435 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.57 3iaf n ASP 435 Cb 0.00 1.08 0.38 0.00 -0.02 0.00 0.00 41.12 42.57 3iaf n ASP 435 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3iaf h LEU 436 N 0.00 0.00 0.04 0.64 4.07 -0.37 -0.01 115.31 119.68 3iaf h LEU 436 Ca -0.17 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.79 3iaf h LEU 436 Cb 1.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 3iaf h LEU 436 CO 0.01 0.33 -0.02 -0.08 -1.08 0.00 0.00 178.44 177.60 3iaf h GLU 437 N 0.00 -0.05 0.00 1.13 4.57 -1.80 -3.42 114.58 115.00 3iaf h GLU 437 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3iaf h GLU 437 Cb 0.82 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 3iaf h GLU 437 CO 0.04 0.32 0.00 0.00 -1.18 0.00 0.00 179.01 178.19 3iaf n ALA 438 N -2.32 0.00 0.18 2.92 0.00 -1.24 -4.99 120.51 115.06 3iaf n ALA 438 Ca -0.08 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.42 3iaf n ALA 438 Cb 0.21 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.78 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 5.00 1.28 3.77 0.00 0.00 -1.16 -4.74 105.19 109.33 3iaf n GLY 439 Ca 0.00 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.06 3.63 -0.04 1.61 0.52 -0.03 -4.90 118.95 118.68 3iaf s ARG 440 Ca 0.22 1.83 -0.02 0.00 -0.52 0.00 0.00 55.73 57.25 3iaf s ARG 440 Cb 0.13 -2.35 -0.04 0.00 0.52 0.00 0.00 34.95 33.21 3iaf s ARG 440 CO 0.18 -0.68 0.06 0.50 0.02 0.00 0.00 175.30 175.38 3iaf s ARG 441 N -2.77 3.08 -0.14 3.54 6.06 -0.27 -4.13 118.95 124.31 3iaf s ARG 441 Ca 0.66 -0.42 -0.04 0.00 -2.50 0.00 0.00 55.73 53.42 3iaf s ARG 441 Cb -0.30 -2.87 -0.03 0.00 0.06 0.00 0.00 34.95 31.80 3iaf s ARG 441 CO 0.36 0.68 0.01 0.99 -2.50 0.00 0.00 175.30 174.84 3iaf s THR 442 N -1.08 4.36 -0.10 4.11 2.01 -1.26 -0.99 115.64 122.70 3iaf s THR 442 Ca 0.19 -0.20 0.04 0.00 0.31 0.00 0.00 61.69 62.03 3iaf s THR 442 Cb -0.12 -2.90 -0.00 0.00 0.01 0.00 0.00 72.50 69.49 3iaf s THR 442 CO 0.09 0.52 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.67 3iaf s ILE 443 N -0.08 2.08 -0.16 1.82 1.01 0.78 -2.46 121.20 124.19 3iaf s ILE 443 Ca 0.04 -1.02 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 3iaf s ILE 443 Cb -0.13 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 3iaf s ILE 443 CO 0.02 0.56 0.04 -0.22 0.00 0.00 0.00 174.94 175.34 3iaf s LEU 444 N 0.29 3.71 -0.32 2.97 2.96 0.86 -0.96 118.68 128.19 3iaf s LEU 444 Ca -0.17 0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 3iaf s LEU 444 Cb -0.18 -1.92 0.09 0.00 0.50 0.00 0.00 46.19 44.69 3iaf s LEU 444 CO 0.08 0.22 0.01 -0.69 -1.32 0.00 0.00 176.35 174.65 3iaf s VAL 445 N 0.11 2.19 0.20 1.68 1.01 0.53 0.43 120.40 126.54 3iaf s VAL 445 Ca 0.04 -2.11 0.08 0.00 0.00 0.00 0.00 61.98 59.98 3iaf s VAL 445 Cb -0.12 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 3iaf s VAL 445 CO 0.01 -0.45 -0.15 0.28 0.00 0.00 0.00 175.10 174.79 3iaf s THR 446 N 0.99 1.74 0.82 3.92 -1.32 -0.75 -1.30 115.64 119.73 3iaf s THR 446 Ca 0.06 -2.17 -0.12 0.00 -1.21 0.00 0.00 61.69 58.25 3iaf s THR 446 Cb -0.19 -2.01 0.08 0.00 -1.51 0.00 0.00 72.50 68.87 3iaf s THR 446 CO -0.08 -0.56 1.16 -0.83 -2.21 0.00 0.00 174.62 172.10 3iaf s GLY 447 N -3.22 1.59 0.22 6.08 0.00 -1.23 0.80 107.32 111.55 3iaf s GLY 447 Ca 0.21 -0.58 0.06 0.00 0.00 0.00 0.00 44.72 44.41 3iaf s GLY 447 CO 0.07 -0.09 1.52 1.29 0.00 0.00 0.00 173.10 175.88 3iaf h ASP 448 N -1.11 0.16 0.11 1.64 2.03 -1.76 -2.89 116.42 114.60 3iaf h ASP 448 Ca -0.47 -0.10 -0.30 0.00 -0.73 0.00 0.00 57.03 55.43 3iaf h ASP 448 Cb 1.32 -0.05 0.03 0.00 -0.83 0.00 0.00 39.33 39.80 3iaf h ASP 448 CO 0.65 0.80 -1.22 1.23 -1.03 0.00 0.00 179.24 179.67 3iaf h GLY 449 N 1.79 0.72 1.18 7.15 0.00 -1.90 -3.34 103.07 108.68 3iaf h GLY 449 Ca -0.02 -1.47 -0.01 0.00 0.00 0.00 0.00 47.33 45.84 3iaf h GLY 449 CO 0.10 1.29 0.47 1.76 0.00 0.00 0.00 176.54 180.16 3iaf h SER 450 N 0.29 0.96 0.56 0.19 0.02 -1.92 -2.85 113.55 110.80 3iaf h SER 450 Ca -0.18 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.64 3iaf h SER 450 Cb 1.89 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 64.18 3iaf h SER 450 CO 0.24 0.74 -0.31 1.62 -1.14 0.00 0.00 176.83 177.98 3iaf h VAL 451 N 1.10 0.93 0.00 2.27 3.04 -1.62 -2.49 116.25 119.47 3iaf h VAL 451 Ca 0.28 -1.18 -0.01 0.00 -1.01 0.00 0.00 66.70 64.78 3iaf h VAL 451 Cb -0.03 1.70 -0.00 0.00 -2.01 0.00 0.00 31.29 30.95 3iaf h VAL 451 CO -0.05 0.30 -0.06 1.23 -1.01 0.00 0.00 177.57 177.98 3iaf h GLY 452 N 1.44 0.00 0.80 3.17 0.00 -1.63 -1.55 103.07 105.30 3iaf h GLY 452 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3iaf h GLY 452 CO 0.04 0.00 -0.43 -0.97 0.00 0.00 0.00 176.54 175.18 3iaf h TYR 453 N 0.00 -1.15 -0.80 5.60 -1.99 -1.57 -3.29 116.97 113.77 3iaf h TYR 453 Ca -0.00 -0.01 -0.56 0.00 2.00 0.00 0.00 58.73 60.16 3iaf h TYR 453 Cb 0.24 0.41 -0.43 0.00 2.00 0.00 0.00 36.73 38.96 3iaf h TYR 453 CO 0.00 -0.64 -0.78 -1.13 -0.00 0.00 0.00 178.16 175.61 3iaf n SER 454 N -5.56 4.97 0.22 3.88 3.41 -1.19 -4.81 113.62 114.54 3iaf n SER 454 Ca -0.13 -3.75 0.06 0.00 -0.26 0.00 0.00 58.87 54.79 3iaf n SER 454 Cb 0.45 -0.36 0.50 0.00 -0.26 0.00 0.00 64.21 64.54 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 2.18 1.07 0.00 -1.33 6.09 -1.35 -2.72 117.51 121.45 3iaf h ILE 455 Ca 0.37 -0.78 0.00 0.00 -1.37 0.00 0.00 64.86 63.08 3iaf h ILE 455 Cb 1.49 1.43 0.00 0.00 0.47 0.00 0.00 36.82 40.21 3iaf h ILE 455 CO 0.78 0.22 0.00 0.61 -3.07 0.00 0.00 178.15 176.69 3iaf n GLY 456 N -0.81 -0.44 0.44 8.18 0.00 -1.26 -3.16 105.19 108.15 3iaf n GLY 456 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.13 3iaf n GLY 456 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iaf n GLU 457 N -0.46 1.46 -0.02 1.61 -0.58 -1.03 -3.57 120.64 118.05 3iaf n GLU 457 Ca 0.00 -0.89 -0.04 0.00 -0.42 0.00 0.00 57.16 55.81 3iaf n GLU 457 Cb 0.01 -1.48 0.18 0.00 -0.57 0.00 0.00 31.44 29.58 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 2.18 0.63 -0.97 -0.32 -1.00 -1.82 -1.67 116.94 113.97 3iaf h PHE 458 Ca 0.00 -0.12 0.18 0.00 2.81 0.00 0.00 57.97 60.84 3iaf h PHE 458 Cb 0.54 -0.16 -0.09 0.00 3.61 0.00 0.00 35.95 39.85 3iaf h PHE 458 CO 0.00 0.73 0.61 0.22 -1.61 0.00 0.00 178.31 178.26 3iaf h ASP 459 N 0.51 0.68 -0.01 2.17 3.58 -1.82 0.16 116.42 121.69 3iaf h ASP 459 Ca 0.08 0.07 -0.19 0.00 0.42 0.00 0.00 57.03 57.41 3iaf h ASP 459 Cb 0.62 -0.06 0.01 0.00 1.72 0.00 0.00 39.33 41.63 3iaf h ASP 459 CO 0.04 0.28 -0.72 0.74 -2.88 0.00 0.00 179.24 176.70 3iaf h THR 460 N 0.68 1.38 -0.84 2.25 2.02 -1.66 -1.44 112.91 115.30 3iaf h THR 460 Ca 0.52 -2.11 0.01 0.00 0.77 0.00 0.00 66.41 65.60 3iaf h THR 460 Cb 0.91 2.51 -0.04 0.00 -1.74 0.00 0.00 68.15 69.79 3iaf h THR 460 CO -0.29 0.63 0.55 0.25 0.37 0.00 0.00 175.52 177.03 3iaf h LEU 461 N 0.05 0.95 0.02 2.58 5.85 -0.37 0.12 115.31 124.51 3iaf h LEU 461 Ca -0.09 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 3iaf h LEU 461 Cb 1.41 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3iaf h LEU 461 CO 0.14 0.69 -0.01 0.58 -0.34 0.00 0.00 178.44 179.50 3iaf h VAL 462 N 1.12 1.44 -0.26 1.05 2.07 -0.78 0.68 116.25 121.58 3iaf h VAL 462 Ca 0.31 -1.54 0.02 0.00 0.82 0.00 0.00 66.70 66.31 3iaf h VAL 462 Cb -0.11 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 3iaf h VAL 462 CO -0.07 0.39 0.10 0.03 0.02 0.00 0.00 177.57 178.04 3iaf h ARG 463 N -0.71 0.22 -0.82 1.57 3.08 -0.98 -2.95 114.38 113.79 3iaf h ARG 463 Ca -0.00 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 3iaf h ARG 463 Cb 0.66 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.59 3iaf h ARG 463 CO 0.00 0.14 0.15 1.63 -1.07 0.00 0.00 179.97 180.83 3iaf n LYS 464 N -5.02 2.98 -4.10 0.04 4.01 0.38 -4.93 118.16 111.52 3iaf n LYS 464 Ca -0.01 -2.06 -0.31 0.00 -0.51 0.00 0.00 58.31 55.42 3iaf n LYS 464 Cb 0.09 -1.93 -0.03 0.00 -0.51 0.00 0.00 35.03 32.65 3iaf n LYS 464 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 3iaf n GLN 465 N 0.06 -3.14 -3.52 1.97 6.02 -1.11 -4.92 117.38 112.73 3iaf n GLN 465 Ca 0.26 0.37 -0.41 0.00 -0.01 0.00 0.00 57.00 57.22 3iaf n GLN 465 Cb 1.02 -4.75 -0.11 0.00 1.02 0.00 0.00 30.24 27.43 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 -7.14 4.60 0.00 1.08 1.43 0.22 -4.96 118.68 113.91 3iaf s LEU 466 Ca 0.36 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3iaf s LEU 466 Cb -0.19 -2.14 0.12 0.00 0.03 0.00 0.00 46.19 44.01 3iaf s LEU 466 CO 0.91 -0.27 0.58 -2.65 0.23 0.00 0.00 176.35 175.16 3iaf n PRO 467 N 5.11 0.47 -1.66 1.29 -0.02 -1.26 -3.25 135.00 135.67 3iaf n PRO 467 Ca -0.12 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 60.91 3iaf n PRO 467 Cb 0.49 -1.07 -0.03 0.00 -0.02 0.00 0.00 33.50 32.88 3iaf n PRO 467 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3iaf n LEU 468 N -0.57 2.94 -4.59 2.45 7.94 -1.26 -4.30 117.00 119.61 3iaf n LEU 468 Ca 0.02 1.15 -0.36 0.00 -1.11 0.00 0.00 56.01 55.70 3iaf n LEU 468 Cb 0.01 -1.41 -0.11 0.00 0.53 0.00 0.00 43.42 42.44 3iaf n LEU 468 CO 0.01 -0.60 -0.23 -0.63 -1.11 0.00 0.00 177.39 174.83 3iaf s ILE 469 N -0.20 4.90 -0.37 1.96 1.01 -1.03 -1.34 121.20 126.13 3iaf s ILE 469 Ca 0.67 0.02 -0.09 0.00 0.00 0.00 0.00 60.65 61.25 3iaf s ILE 469 Cb -0.66 -3.27 0.04 0.00 0.01 0.00 0.00 42.46 38.58 3iaf s ILE 469 CO 0.51 0.37 0.19 -0.69 0.00 0.00 0.00 174.94 175.32 3iaf s VAL 470 N 1.06 4.28 -0.62 2.92 1.01 0.21 -0.10 120.40 129.16 3iaf s VAL 470 Ca 0.06 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 60.82 3iaf s VAL 470 Cb -0.14 -3.44 0.11 0.00 0.00 0.00 0.00 36.38 32.91 3iaf s VAL 470 CO 0.04 -0.27 0.72 -0.63 0.00 0.00 0.00 175.10 174.97 3iaf s ILE 471 N 1.49 4.87 -0.57 2.22 1.01 0.17 -0.16 121.20 130.23 3iaf s ILE 471 Ca 0.01 -1.12 -0.28 0.00 0.00 0.00 0.00 60.65 59.26 3iaf s ILE 471 Cb -0.20 -4.50 0.03 0.00 0.01 0.00 0.00 42.46 37.80 3iaf s ILE 471 CO 0.05 -1.14 1.16 -0.63 0.00 0.00 0.00 174.94 174.38 3iaf s ILE 472 N 2.52 4.08 -0.66 2.92 1.01 0.12 -1.81 121.20 129.37 3iaf s ILE 472 Ca 0.13 0.86 -0.27 0.00 0.00 0.00 0.00 60.65 61.36 3iaf s ILE 472 Cb -0.23 -4.70 0.02 0.00 0.01 0.00 0.00 42.46 37.57 3iaf s ILE 472 CO 0.04 -1.29 1.37 -0.32 0.00 0.00 0.00 174.94 174.75 3iaf s MET 473 N 4.79 3.19 -0.35 2.79 1.75 0.24 -1.86 119.30 129.85 3iaf s MET 473 Ca 0.42 0.09 -0.14 0.00 -1.25 0.00 0.00 55.69 54.80 3iaf s MET 473 Cb -0.08 -4.17 -0.01 0.00 2.84 0.00 0.00 34.83 33.41 3iaf s MET 473 CO 0.25 -2.11 0.32 1.21 -0.65 0.00 0.00 175.02 174.05 3iaf s ASN 474 N 4.31 6.13 -0.13 1.11 3.84 -0.12 -2.36 114.94 127.72 3iaf s ASN 474 Ca 0.44 -0.37 0.18 0.00 0.21 0.00 0.00 52.86 53.32 3iaf s ASN 474 Cb -0.09 -2.18 0.33 0.00 -0.55 0.00 0.00 41.25 38.76 3iaf s ASN 474 CO 0.19 -0.33 1.20 -0.46 -2.79 0.00 0.00 177.10 174.92 3iaf n ASN 475 N 5.29 2.67 -2.82 -4.21 6.94 -1.26 -0.29 115.26 121.58 3iaf n ASN 475 Ca -0.10 -3.03 -0.17 0.00 -0.02 0.00 0.00 54.58 51.26 3iaf n ASN 475 Cb 0.49 -0.44 -0.00 0.00 -2.36 0.00 0.00 39.78 37.47 3iaf n ASN 475 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3iaf n GLN 476 N -1.19 -2.87 -3.60 -3.83 6.02 -1.26 -4.72 117.38 105.93 3iaf n GLN 476 Ca 0.16 0.57 -0.04 0.00 -0.01 0.00 0.00 57.00 57.69 3iaf n GLN 476 Cb 0.68 -5.23 -0.02 0.00 1.02 0.00 0.00 30.24 26.69 3iaf n GLN 476 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3iaf s SER 477 N -2.33 -0.12 -0.85 1.08 1.04 -1.25 -0.50 113.70 110.76 3iaf s SER 477 Ca 0.17 -0.02 -0.25 0.00 0.48 0.00 0.00 55.95 56.33 3iaf s SER 477 Cb -0.09 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 3iaf s SER 477 CO 0.20 -0.24 1.93 0.26 0.98 0.00 0.00 173.24 176.37 3iaf s TRP 478 N -2.42 1.79 0.00 5.02 0.52 0.63 -4.56 118.94 119.93 3iaf s TRP 478 Ca 0.10 0.65 0.00 0.00 0.02 0.00 0.00 56.10 56.87 3iaf s TRP 478 Cb -0.00 -4.06 0.00 0.00 -1.15 0.00 0.00 33.47 28.26 3iaf s TRP 478 CO -0.04 -1.84 0.88 0.41 0.02 0.00 0.00 176.95 176.37 3iaf n GLY 479 N 6.66 -2.79 0.29 0.98 0.00 -1.26 -1.81 105.19 107.27 3iaf n GLY 479 Ca 0.37 0.20 0.09 0.00 0.00 0.00 0.00 46.02 46.68 3iaf n GLY 479 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iaf h ALA 480 N -1.77 2.00 -0.37 4.61 0.00 -1.94 -0.51 119.26 121.29 3iaf h ALA 480 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3iaf h ALA 480 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3iaf h ALA 480 CO 0.00 -0.03 -0.37 1.79 0.00 0.00 0.00 179.25 180.64 3iaf h THR 481 N 0.17 1.28 -0.34 0.00 1.35 -1.97 -0.16 112.91 113.24 3iaf h THR 481 Ca 0.09 -1.54 -0.09 0.00 -0.55 0.00 0.00 66.41 64.32 3iaf h THR 481 Cb 0.16 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 3iaf h THR 481 CO -0.01 0.51 -0.18 0.25 -0.25 0.00 0.00 175.52 175.83 3iaf h LEU 482 N 0.71 0.62 -0.81 3.87 6.46 -0.40 -1.55 115.31 124.21 3iaf h LEU 482 Ca 0.06 -0.20 -0.09 0.00 -0.12 0.00 0.00 57.88 57.54 3iaf h LEU 482 Cb 0.94 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.68 3iaf h LEU 482 CO 0.09 0.82 -0.05 0.45 -0.62 0.00 0.00 178.44 179.12 3iaf h HIS 483 N 0.56 0.92 -0.27 1.25 3.86 -1.00 -2.47 115.15 117.99 3iaf h HIS 483 Ca 0.09 -0.15 0.02 0.00 -1.16 0.00 0.00 60.37 59.16 3iaf h HIS 483 Cb 0.63 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 3iaf h HIS 483 CO 0.03 0.86 0.14 0.35 0.86 0.00 0.00 177.93 180.17 3iaf h PHE 484 N 0.78 0.26 -0.59 2.45 3.04 -0.59 0.35 116.94 122.65 3iaf h PHE 484 Ca 0.14 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.10 3iaf h PHE 484 Cb 0.54 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.94 3iaf h PHE 484 CO 0.03 0.15 0.35 1.96 -2.02 0.00 0.00 178.31 178.78 3iaf h GLN 485 N 0.29 0.79 0.02 1.11 4.20 -1.05 0.15 115.11 120.64 3iaf h GLN 485 Ca 0.11 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 3iaf h GLN 485 Cb 0.02 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.64 3iaf h GLN 485 CO -0.07 0.56 -0.17 1.96 -0.67 0.00 0.00 178.83 180.43 3iaf h GLN 486 N 0.81 0.07 0.01 1.46 4.20 -1.22 -2.01 115.11 118.44 3iaf h GLN 486 Ca 0.21 -0.11 -0.22 0.00 0.06 0.00 0.00 58.65 58.59 3iaf h GLN 486 Cb -0.03 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3iaf h GLN 486 CO -0.04 1.01 -0.95 -0.07 -0.67 0.00 0.00 178.83 178.11 3iaf h LEU 487 N -0.80 0.41 0.00 1.46 4.07 -0.84 -2.43 115.31 117.18 3iaf h LEU 487 Ca -0.03 -0.34 -0.26 0.00 0.08 0.00 0.00 57.88 57.33 3iaf h LEU 487 Cb 1.09 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.66 3iaf h LEU 487 CO 0.03 1.15 -1.61 0.00 -1.08 0.00 0.00 178.44 176.94 3iaf h ALA 488 N 0.82 0.73 0.00 1.53 0.00 -0.87 -3.43 119.26 118.04 3iaf h ALA 488 Ca -0.07 -1.31 0.00 0.00 0.00 0.00 0.00 54.91 53.53 3iaf h ALA 488 Cb 1.59 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3iaf h ALA 488 CO 0.16 1.43 -0.67 1.33 0.00 0.00 0.00 179.25 181.50 3iaf n VAL 489 N -3.03 0.00 0.00 0.00 0.24 -1.14 -5.06 118.33 109.34 3iaf n VAL 489 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 3iaf n VAL 489 Cb 1.00 -0.57 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 3iaf n VAL 489 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iaf n GLY 490 N 2.38 3.52 0.23 7.63 0.00 -0.77 -4.98 105.19 113.20 3iaf n GLY 490 Ca 0.00 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.72 3iaf n GLY 490 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3iaf h PRO 491 N 0.00 0.73 -0.76 1.61 0.11 -1.84 -2.83 132.00 129.03 3iaf h PRO 491 Ca 0.00 -0.12 -0.08 0.00 0.11 0.00 0.00 66.00 65.91 3iaf h PRO 491 Cb 0.00 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 30.94 3iaf h PRO 491 CO 0.00 0.64 0.10 0.27 -0.21 0.00 0.00 178.00 178.79 3iaf n ASN 492 N -4.58 4.27 -1.91 -2.05 0.23 -1.26 -4.46 115.26 105.50 3iaf n ASN 492 Ca 0.02 -2.78 -0.22 0.00 -0.53 0.00 0.00 54.58 51.07 3iaf n ASN 492 Cb 0.14 -0.66 0.12 0.00 -2.08 0.00 0.00 39.78 37.30 3iaf n ASN 492 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3iaf n ARG 493 N 0.22 2.53 -3.46 -3.83 5.12 -1.07 -5.00 116.66 111.18 3iaf n ARG 493 Ca 0.25 -3.38 -0.37 0.00 -1.93 0.00 0.00 57.85 52.41 3iaf n ARG 493 Cb 1.03 -2.13 -0.08 0.00 -1.16 0.00 0.00 32.46 30.12 3iaf n ARG 493 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3iaf s VAL 494 N -4.02 5.25 -0.14 1.55 -7.23 -1.26 -4.78 120.40 109.76 3iaf s VAL 494 Ca 0.55 0.60 -0.10 0.00 -1.81 0.00 0.00 61.98 61.22 3iaf s VAL 494 Cb 0.46 -3.68 0.05 0.00 0.56 0.00 0.00 36.38 33.77 3iaf s VAL 494 CO 0.02 0.30 0.36 -0.89 -0.31 0.00 0.00 175.10 174.58 3iaf s THR 495 N 1.06 -0.02 -1.54 5.32 2.01 -1.26 -4.92 115.64 116.30 3iaf s THR 495 Ca 0.17 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.23 3iaf s THR 495 Cb -0.14 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 71.85 3iaf s THR 495 CO 0.07 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 3iaf n GLY 496 N 3.62 0.87 0.00 4.40 0.00 -1.26 -4.84 105.19 107.99 3iaf n GLY 496 Ca -0.19 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.11 0.00 -3.22 2.61 -2.24 -1.26 -4.94 114.28 102.13 3iaf n THR 497 Ca -0.17 -0.29 -0.39 0.00 -2.27 0.00 0.00 64.05 60.93 3iaf n THR 497 Cb 0.56 1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 69.80 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 -0.50 4.29 -0.46 -0.78 0.52 -1.26 -0.26 118.95 120.49 3iaf s ARG 498 Ca 0.00 0.75 0.04 0.00 -0.52 0.00 0.00 55.73 56.00 3iaf s ARG 498 Cb 0.00 -3.31 0.17 0.00 0.52 0.00 0.00 34.95 32.33 3iaf s ARG 498 CO 0.00 0.46 0.36 -0.51 0.02 0.00 0.00 175.30 175.63 3iaf s LEU 499 N -0.49 2.02 -0.71 2.53 1.43 0.34 -4.85 118.68 118.95 3iaf s LEU 499 Ca 0.31 -3.19 0.04 0.00 -1.03 0.00 0.00 54.13 50.25 3iaf s LEU 499 Cb -0.19 -0.65 0.29 0.00 0.03 0.00 0.00 46.19 45.67 3iaf s LEU 499 CO 0.18 -0.16 1.00 -0.62 0.23 0.00 0.00 176.35 176.98 3iaf n GLU 500 N 2.71 3.27 0.00 1.70 1.02 -1.25 -3.78 120.64 124.31 3iaf n GLU 500 Ca 0.28 -4.73 0.00 0.00 -0.02 0.00 0.00 57.16 52.69 3iaf n GLU 500 Cb 0.45 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 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 0.45 -0.00 -4.89 1.62 5.15 -1.26 -5.16 115.26 111.17 3iaf n ASN 501 Ca 0.31 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 54.00 3iaf n ASN 501 Cb 0.38 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.65 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 -3.97 1.60 -0.70 8.20 0.00 -1.26 -5.04 107.32 106.16 3iaf s GLY 502 Ca 0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 44.72 44.24 3iaf s GLY 502 CO 0.00 -0.07 0.65 -0.45 0.00 0.00 0.00 173.10 173.22 3iaf s SER 503 N -4.21 6.49 0.18 1.64 0.15 -1.26 -4.93 113.70 111.76 3iaf s SER 503 Ca 0.53 -2.31 -0.09 0.00 0.70 0.00 0.00 55.95 54.78 3iaf s SER 503 Cb -0.11 -2.20 0.05 0.00 -1.71 0.00 0.00 66.02 62.05 3iaf s SER 503 CO 0.50 -0.69 1.62 1.88 1.20 0.00 0.00 173.24 177.75 3iaf h TYR 504 N 8.24 1.18 0.00 3.44 0.05 -1.98 0.16 116.97 128.05 3iaf h TYR 504 Ca -0.07 -0.22 -0.04 0.00 0.05 0.00 0.00 58.73 58.45 3iaf h TYR 504 Cb 1.06 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.50 3iaf h TYR 504 CO 0.90 1.05 -0.17 1.12 -1.05 0.00 0.00 178.16 180.01 3iaf h HIS 505 N 0.96 0.00 -0.06 4.88 2.07 -1.89 -1.24 115.15 119.87 3iaf h HIS 505 Ca 0.16 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.55 3iaf h HIS 505 Cb 0.62 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.61 3iaf h HIS 505 CO 0.04 0.17 -0.46 0.78 -3.07 0.00 0.00 177.93 175.39 3iaf h GLY 506 N 1.34 0.46 0.05 6.13 0.00 -1.77 -3.20 103.07 106.09 3iaf h GLY 506 Ca -0.00 -0.70 0.11 0.00 0.00 0.00 0.00 47.33 46.74 3iaf h GLY 506 CO 0.02 0.62 -0.00 -2.08 0.00 0.00 0.00 176.54 175.10 3iaf h VAL 507 N -0.05 0.55 -0.45 4.60 2.07 0.39 -0.54 116.25 122.82 3iaf h VAL 507 Ca -0.04 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 3iaf h VAL 507 Cb 1.13 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3iaf h VAL 507 CO 0.09 0.02 -0.04 0.00 0.02 0.00 0.00 177.57 177.67 3iaf h ALA 508 N 1.51 1.10 -0.04 1.67 0.00 -1.43 -2.78 119.26 119.29 3iaf h ALA 508 Ca 0.29 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3iaf h ALA 508 Cb 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3iaf h ALA 508 CO -0.48 0.57 -0.38 0.00 0.00 0.00 0.00 179.25 178.96 3iaf h ALA 509 N 1.26 1.29 0.00 0.00 0.00 -1.20 -1.75 119.26 118.87 3iaf h ALA 509 Ca 0.13 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3iaf h ALA 509 Cb 0.48 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3iaf h ALA 509 CO 0.02 0.51 -0.16 0.00 0.00 0.00 0.00 179.25 179.63 3iaf h ALA 510 N 1.54 1.10 -0.01 0.00 0.00 -0.88 -0.09 119.26 120.93 3iaf h ALA 510 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3iaf h ALA 510 Cb 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3iaf h ALA 510 CO 0.05 0.19 -0.10 1.19 0.00 0.00 0.00 179.25 180.59 3iaf n PHE 511 N -3.42 0.00 -1.89 0.00 3.72 -0.73 -4.95 117.46 110.19 3iaf n PHE 511 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3iaf n PHE 511 Cb 0.34 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 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 1.23 0.83 3.35 1.37 0.00 -0.05 -4.65 105.19 107.28 3iaf n GLY 512 Ca 0.17 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.74 2.14 -0.04 4.61 0.00 -0.80 -4.91 121.76 120.02 3iaf s ALA 513 Ca 0.00 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.15 3iaf s ALA 513 Cb 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 23.12 22.82 3iaf s ALA 513 CO 0.00 0.29 1.95 -0.51 0.00 0.00 0.00 175.76 177.49 3iaf s ASP 514 N -2.64 6.30 -0.17 0.00 -0.00 -0.96 -3.64 116.67 115.56 3iaf s ASP 514 Ca 0.17 2.41 -0.00 0.00 -0.00 0.00 0.00 52.55 55.13 3iaf s ASP 514 Cb -0.06 -2.53 -0.00 0.00 -0.00 0.00 0.00 42.92 40.33 3iaf s ASP 514 CO 0.07 -1.21 -0.14 -0.83 -0.00 0.00 0.00 175.17 173.07 3iaf s GLY 515 N 4.96 1.49 0.51 0.21 0.00 -1.25 0.11 107.32 113.35 3iaf s GLY 515 Ca 0.88 -1.07 0.04 0.00 0.00 0.00 0.00 44.72 44.56 3iaf s GLY 515 CO 0.38 0.09 0.16 -0.19 0.00 0.00 0.00 173.10 173.55 3iaf s TYR 516 N 0.92 1.88 0.22 1.90 2.02 1.00 -4.97 117.35 120.32 3iaf s TYR 516 Ca -0.03 -0.87 0.00 0.00 -0.37 0.00 0.00 57.07 55.80 3iaf s TYR 516 Cb -0.15 -1.76 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 3iaf s TYR 516 CO -0.01 -0.02 0.14 -1.58 -1.57 0.00 0.00 175.55 172.51 3iaf s HIS 517 N -2.81 1.28 -0.29 2.71 2.46 -1.26 -2.42 115.29 114.97 3iaf s HIS 517 Ca 0.20 -1.38 -0.22 0.00 0.47 0.00 0.00 55.06 54.13 3iaf s HIS 517 Cb 0.01 -0.63 0.14 0.00 -0.13 0.00 0.00 32.58 31.97 3iaf s HIS 517 CO 0.12 -0.61 1.10 0.54 -2.47 0.00 0.00 174.74 173.42 3iaf s VAL 518 N -4.03 0.00 -0.08 0.89 0.11 -1.15 -4.70 120.40 111.44 3iaf s VAL 518 Ca 0.39 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.32 3iaf s VAL 518 Cb 0.07 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 3iaf s VAL 518 CO 0.14 0.00 -0.23 -0.67 -3.33 0.00 0.00 175.10 171.01 3iaf n ASP 519 N 2.49 1.65 -0.97 3.54 2.03 -1.26 -2.37 116.55 121.66 3iaf n ASP 519 Ca -0.14 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.44 3iaf n ASP 519 Cb 0.56 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 3iaf n ASP 519 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3iaf n SER 520 N -4.12 1.33 -0.10 1.67 3.41 -1.26 -4.32 113.62 110.23 3iaf n SER 520 Ca -0.09 -0.58 -0.06 0.00 -0.26 0.00 0.00 58.87 57.87 3iaf n SER 520 Cb 0.34 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.31 3iaf n SER 520 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3iaf h VAL 521 N 0.58 0.88 0.11 -3.33 -1.51 -1.96 -2.50 116.25 108.51 3iaf h VAL 521 Ca 0.00 -0.08 -0.28 0.00 -1.23 0.00 0.00 66.70 65.11 3iaf h VAL 521 Cb 0.00 0.62 -0.00 0.00 -2.13 0.00 0.00 31.29 29.78 3iaf h VAL 521 CO 0.00 0.04 -1.36 -0.08 -1.23 0.00 0.00 177.57 174.95 3iaf h GLU 522 N 0.24 0.24 -0.95 5.19 4.57 -1.99 -2.91 114.58 118.96 3iaf h GLU 522 Ca 0.16 -0.41 0.23 0.00 -1.18 0.00 0.00 59.36 58.16 3iaf h GLU 522 Cb 0.15 0.15 -0.12 0.00 -0.16 0.00 0.00 28.75 28.77 3iaf h GLU 522 CO -0.18 1.14 0.50 0.77 -1.18 0.00 0.00 179.01 180.07 3iaf h SER 523 N 0.07 0.52 0.78 1.04 0.02 -1.91 -1.10 113.55 112.97 3iaf h SER 523 Ca -0.17 0.14 -0.25 0.00 -0.84 0.00 0.00 61.79 60.67 3iaf h SER 523 Cb 1.98 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 64.58 3iaf h SER 523 CO 0.18 0.07 -1.16 0.15 -1.14 0.00 0.00 176.83 174.92 3iaf h PHE 524 N 0.51 0.28 -0.69 3.45 3.57 -1.49 -3.27 116.94 119.31 3iaf h PHE 524 Ca 0.60 -0.20 0.02 0.00 3.53 0.00 0.00 57.97 61.91 3iaf h PHE 524 Cb 1.12 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 3iaf h PHE 524 CO -0.07 1.16 0.44 0.77 -2.23 0.00 0.00 178.31 178.39 3iaf h SER 525 N 0.04 0.75 -0.62 0.41 0.02 -1.01 0.21 113.55 113.35 3iaf h SER 525 Ca -0.09 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 3iaf h SER 525 Cb 1.89 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 64.23 3iaf h SER 525 CO 0.17 0.54 0.21 0.00 -1.14 0.00 0.00 176.83 176.60 3iaf h ALA 526 N 1.27 0.81 -0.38 3.77 0.00 -1.54 0.15 119.26 123.34 3iaf h ALA 526 Ca 0.26 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3iaf h ALA 526 Cb -0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3iaf h ALA 526 CO -0.08 0.47 -0.31 0.00 0.00 0.00 0.00 179.25 179.34 3iaf h ALA 527 N 1.07 0.75 0.22 0.00 0.00 -1.52 -2.38 119.26 117.40 3iaf h ALA 527 Ca 0.20 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3iaf h ALA 527 Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3iaf h ALA 527 CO -0.01 0.66 -0.11 1.25 0.00 0.00 0.00 179.25 181.04 3iaf h LEU 528 N 0.69 -0.25 -2.08 0.00 5.85 -0.25 -1.86 115.31 117.40 3iaf h LEU 528 Ca 0.08 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3iaf h LEU 528 Cb 0.85 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 3iaf h LEU 528 CO 0.07 0.27 0.00 0.00 -0.34 0.00 0.00 178.44 178.44 3iaf h ALA 529 N -0.52 1.92 0.35 1.25 0.00 -0.84 -1.35 119.26 120.06 3iaf h ALA 529 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3iaf h ALA 529 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3iaf h ALA 529 CO 0.05 -0.00 -0.17 0.37 0.00 0.00 0.00 179.25 179.50 3iaf h GLN 530 N 0.00 -0.45 0.00 0.00 5.75 -1.42 -1.32 115.11 117.67 3iaf h GLN 530 Ca 0.00 0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 3iaf h GLN 530 Cb 0.00 0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.65 3iaf h GLN 530 CO -0.00 -0.30 -0.08 0.00 -2.65 0.00 0.00 178.83 175.80 3iaf h ALA 531 N -1.65 1.48 -0.08 3.38 0.00 -1.23 0.24 119.26 121.41 3iaf h ALA 531 Ca -0.05 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 3iaf h ALA 531 Cb 0.36 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3iaf h ALA 531 CO 0.08 0.10 -0.73 1.25 0.00 0.00 0.00 179.25 179.95 3iaf h LEU 532 N 0.00 0.48 -0.88 0.00 5.85 -1.32 -3.18 115.31 116.27 3iaf h LEU 532 Ca -0.00 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.31 3iaf h LEU 532 Cb 0.20 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3iaf h LEU 532 CO 0.01 1.06 -0.18 0.00 -0.34 0.00 0.00 178.44 178.99 3iaf h ALA 533 N 0.94 1.05 -2.46 1.25 0.00 0.24 -3.44 119.26 116.84 3iaf h ALA 533 Ca -0.03 -0.33 -0.46 0.00 0.00 0.00 0.00 54.91 54.09 3iaf h ALA 533 Cb 1.30 -0.15 0.12 0.00 0.00 0.00 0.00 17.79 19.07 3iaf h ALA 533 CO 0.12 0.57 0.38 -1.01 0.00 0.00 0.00 179.25 179.31 3iaf s HIS 534 N -4.65 2.51 -0.46 0.00 3.76 -0.72 -5.04 115.29 110.67 3iaf s HIS 534 Ca -0.08 0.69 0.08 0.00 -0.15 0.00 0.00 55.06 55.60 3iaf s HIS 534 Cb 0.14 -3.58 0.38 0.00 1.11 0.00 0.00 32.58 30.62 3iaf s HIS 534 CO 0.81 -2.16 0.93 -1.71 -0.85 0.00 0.00 174.74 171.76 3iaf n ASN 535 N -3.56 3.26 -3.67 1.40 5.15 -1.26 -4.93 115.26 111.64 3iaf n ASN 535 Ca 0.09 -3.40 -0.10 0.00 -0.60 0.00 0.00 54.58 50.57 3iaf n ASN 535 Cb 0.60 -0.55 -0.03 0.00 -0.53 0.00 0.00 39.78 39.27 3iaf n ASN 535 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3iaf s ARG 536 N -3.19 1.40 -0.31 1.20 0.52 -1.26 -4.71 118.95 112.59 3iaf s ARG 536 Ca 0.44 -0.78 -0.44 0.00 -0.52 0.00 0.00 55.73 54.43 3iaf s ARG 536 Cb 0.35 0.55 -0.19 0.00 0.52 0.00 0.00 34.95 36.17 3iaf s ARG 536 CO -0.11 -0.60 1.46 -2.30 0.02 0.00 0.00 175.30 173.76 3iaf n PRO 537 N -0.36 0.18 -3.93 3.54 -0.02 -1.20 -4.56 135.00 128.64 3iaf n PRO 537 Ca -0.11 0.06 -0.26 0.00 -2.02 0.00 0.00 63.50 61.17 3iaf n PRO 537 Cb 0.63 -1.59 -0.17 0.00 -0.02 0.00 0.00 33.50 32.35 3iaf n PRO 537 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iaf s ALA 538 N 2.13 1.22 -0.28 3.55 0.00 -0.45 -2.28 121.76 125.65 3iaf s ALA 538 Ca 1.00 -0.47 -0.06 0.00 0.00 0.00 0.00 51.96 52.43 3iaf s ALA 538 Cb -1.37 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 20.90 3iaf s ALA 538 CO 0.72 -0.38 0.06 0.00 0.00 0.00 0.00 175.76 176.15 3iaf s ILE 540 N 1.51 3.62 -0.01 0.00 1.09 0.78 -0.00 121.20 128.19 3iaf s ILE 540 Ca 0.04 -0.46 -0.02 0.00 -1.10 0.00 0.00 60.65 59.10 3iaf s ILE 540 Cb -0.16 -2.55 -0.04 0.00 -1.06 0.00 0.00 42.46 38.64 3iaf s ILE 540 CO 0.02 0.52 0.17 0.21 -0.10 0.00 0.00 174.94 175.76 3iaf s ASN 541 N 0.14 6.27 -0.18 3.58 2.47 -1.01 -0.70 114.94 125.50 3iaf s ASN 541 Ca -0.03 0.32 -0.05 0.00 0.42 0.00 0.00 52.86 53.52 3iaf s ASN 541 Cb -0.14 -1.95 0.06 0.00 -1.45 0.00 0.00 41.25 37.78 3iaf s ASN 541 CO 0.03 0.26 0.09 -0.69 -3.72 0.00 0.00 177.10 173.08 3iaf s VAL 542 N -1.31 -0.05 0.06 -5.21 1.01 -0.78 -2.95 120.40 111.17 3iaf s VAL 542 Ca 0.27 -0.23 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 3iaf s VAL 542 Cb -0.13 -0.63 -0.07 0.00 0.00 0.00 0.00 36.38 35.56 3iaf s VAL 542 CO 0.18 -0.31 1.45 0.00 0.00 0.00 0.00 175.10 176.42 3iaf s ALA 543 N 2.12 3.61 -0.00 5.51 0.00 -1.00 -0.94 121.76 131.06 3iaf s ALA 543 Ca 0.02 1.05 -0.03 0.00 0.00 0.00 0.00 51.96 53.01 3iaf s ALA 543 Cb -0.16 -3.60 -0.00 0.00 0.00 0.00 0.00 23.12 19.36 3iaf s ALA 543 CO -0.11 -0.84 0.05 0.08 0.00 0.00 0.00 175.76 174.93 3iaf s VAL 544 N 1.95 0.06 0.26 0.00 1.01 0.60 -4.56 120.40 119.73 3iaf s VAL 544 Ca 0.66 -0.49 -0.31 0.00 0.00 0.00 0.00 61.98 61.85 3iaf s VAL 544 Cb -0.35 -0.24 -0.12 0.00 0.00 0.00 0.00 36.38 35.67 3iaf s VAL 544 CO 0.29 -0.27 1.57 0.00 0.00 0.00 0.00 175.10 176.69 3iaf n ALA 545 N 2.15 2.17 -0.03 5.51 0.00 -0.69 -4.33 120.51 125.29 3iaf n ALA 545 Ca -0.19 0.39 -0.04 0.00 0.00 0.00 0.00 53.44 53.60 3iaf n ALA 545 Cb 0.57 -2.42 -0.13 0.00 0.00 0.00 0.00 19.45 17.47 3iaf n ALA 545 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3iaf n LEU 546 N 2.55 0.45 0.07 0.00 7.94 -1.26 -4.63 117.00 122.11 3iaf n LEU 546 Ca 0.11 0.20 -0.13 0.00 -1.11 0.00 0.00 56.01 55.09 3iaf n LEU 546 Cb 0.35 0.24 -0.07 0.00 0.53 0.00 0.00 43.42 44.46 3iaf n LEU 546 CO 0.64 0.30 0.83 0.44 -1.11 0.00 0.00 177.39 178.49 3iaf h ASP 547 N 0.00 -0.07 -3.18 1.96 3.45 -1.96 -3.46 116.42 113.17 3iaf h ASP 547 Ca -0.31 -0.04 -0.53 0.00 0.43 0.00 0.00 57.03 56.59 3iaf h ASP 547 Cb 1.84 0.02 0.07 0.00 -0.56 0.00 0.00 39.33 40.70 3iaf h ASP 547 CO 0.04 -0.01 0.90 -2.16 -1.57 0.00 0.00 179.24 176.45 3iaf s PRO 548 N -6.00 4.14 -0.23 3.56 0.04 -1.26 -4.97 135.00 130.28 3iaf s PRO 548 Ca -0.14 2.56 -0.16 0.00 0.04 0.00 0.00 61.00 63.30 3iaf s PRO 548 Cb 0.05 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 3iaf s PRO 548 CO 0.66 -0.64 0.44 0.42 0.04 0.00 0.00 177.00 177.91 3iaf s ILE 549 N 0.28 5.15 0.81 0.56 1.01 -1.26 -5.07 121.20 122.69 3iaf s ILE 549 Ca 0.66 0.75 -0.12 0.00 0.00 0.00 0.00 60.65 61.93 3iaf s ILE 549 Cb -0.48 -3.76 0.08 0.00 0.01 0.00 0.00 42.46 38.32 3iaf s ILE 549 CO 0.44 0.18 1.16 -2.84 0.00 0.00 0.00 174.94 173.87 3iaf s PRO 550 N 1.77 1.72 0.47 2.79 0.02 -1.26 -4.93 135.00 135.59 3iaf s PRO 550 Ca 0.19 1.56 0.21 0.00 0.02 0.00 0.00 61.00 62.99 3iaf s PRO 550 Cb -0.15 -1.80 1.18 0.00 0.02 0.00 0.00 34.50 33.74 3iaf s PRO 550 CO 0.09 -2.11 1.99 -1.35 -0.33 0.00 0.00 177.00 175.29 3iaf h PRO 551 N -1.08 0.00 -0.09 5.54 0.11 -1.91 -2.74 132.00 131.83 3iaf h PRO 551 Ca -0.45 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 3iaf h PRO 551 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3iaf h PRO 551 CO 0.47 0.19 -0.52 1.49 -0.21 0.00 0.00 178.00 179.42 3iaf h GLU 552 N 0.00 0.24 0.73 1.05 4.57 -1.91 -3.26 114.58 116.00 3iaf h GLU 552 Ca -0.00 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 58.00 3iaf h GLU 552 Cb 0.42 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.03 3iaf h GLU 552 CO 0.02 0.70 -0.35 0.93 -1.18 0.00 0.00 179.01 179.14 3iaf h GLU 553 N 0.19 -0.94 -6.11 1.92 5.08 -1.86 -3.39 114.58 109.47 3iaf h GLU 553 Ca 0.01 0.06 -0.74 0.00 -1.00 0.00 0.00 59.36 57.69 3iaf h GLU 553 Cb 0.98 0.21 0.05 0.00 0.50 0.00 0.00 28.75 30.49 3iaf h GLU 553 CO 0.08 -0.63 0.20 1.28 -1.00 0.00 0.00 179.01 178.95 3iaf n LEU 554 N -4.82 0.62 0.00 1.33 7.99 -1.19 -5.07 117.00 115.86 3iaf n LEU 554 Ca -0.12 1.14 0.00 0.00 -0.01 0.00 0.00 56.01 57.02 3iaf n LEU 554 Cb 0.38 -1.03 0.00 0.00 -0.11 0.00 0.00 43.42 42.67 3iaf n LEU 554 CO 0.29 -1.59 0.00 2.30 -1.51 0.00 0.00 177.39 176.88