#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iae s MET 3 N 0.00 4.30 0.08 0.00 1.00 -1.26 -0.48 119.30 122.94 3iae s MET 3 Ca 0.00 1.23 0.07 0.00 0.00 0.00 0.00 55.69 56.99 3iae s MET 3 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 34.83 31.20 3iae s MET 3 CO 0.00 -0.46 -0.19 0.96 0.00 0.00 0.00 175.02 175.33 3iae s ILE 4 N 2.59 1.51 0.82 2.53 -4.36 -0.50 -4.91 121.20 118.88 3iae s ILE 4 Ca 0.43 -1.37 -0.11 0.00 -0.26 0.00 0.00 60.65 59.33 3iae s ILE 4 Cb -0.16 -1.38 0.08 0.00 1.25 0.00 0.00 42.46 42.25 3iae s ILE 4 CO 0.11 -0.04 1.09 0.42 0.24 0.00 0.00 174.94 176.76 3iae s THR 5 N -1.08 3.08 0.38 8.37 -4.23 -1.26 -2.05 115.64 118.86 3iae s THR 5 Ca 0.04 0.35 0.07 0.00 -1.18 0.00 0.00 61.69 60.97 3iae s THR 5 Cb -0.10 -2.95 0.21 0.00 1.34 0.00 0.00 72.50 71.00 3iae s THR 5 CO 0.03 -0.46 1.97 1.23 -0.54 0.00 0.00 174.62 176.85 3iae h GLY 6 N -1.22 0.48 1.45 3.99 0.00 -0.09 -2.36 103.07 105.31 3iae h GLY 6 Ca -0.47 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 46.56 3iae h GLY 6 CO 0.56 0.22 -0.01 -1.33 0.00 0.00 0.00 176.54 175.98 3iae h GLY 7 N 0.66 0.73 1.02 4.60 0.00 -1.74 -2.52 103.07 105.82 3iae h GLY 7 Ca 0.11 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 3iae h GLY 7 CO -0.01 0.44 0.39 0.83 0.00 0.00 0.00 176.54 178.19 3iae h GLU 8 N 0.64 1.10 -0.84 4.80 4.39 -1.59 -2.30 114.58 120.79 3iae h GLU 8 Ca 0.13 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3iae h GLU 8 Cb 0.42 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 3iae h GLU 8 CO 0.02 0.84 0.43 -0.07 -1.16 0.00 0.00 179.01 179.06 3iae h LEU 9 N 1.08 1.08 0.02 1.33 3.38 -1.21 -0.21 115.31 120.77 3iae h LEU 9 Ca 0.27 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3iae h LEU 9 Cb 0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3iae h LEU 9 CO -0.04 0.89 -0.07 0.58 0.09 0.00 0.00 178.44 179.89 3iae h VAL 10 N 1.18 0.81 -0.34 1.22 2.07 -1.25 -2.37 116.25 117.57 3iae h VAL 10 Ca 0.29 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.73 3iae h VAL 10 Cb 0.08 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3iae h VAL 10 CO -0.04 0.00 -0.10 0.58 0.02 0.00 0.00 177.57 178.02 3iae h VAL 11 N -0.14 1.28 -0.61 2.57 2.07 -1.16 -0.76 116.25 119.50 3iae h VAL 11 Ca 0.02 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 3iae h VAL 11 Cb 0.17 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3iae h VAL 11 CO -0.06 0.39 0.34 0.03 0.02 0.00 0.00 177.57 178.29 3iae h ARG 12 N 0.46 0.83 -0.32 1.57 3.08 -1.06 0.94 114.38 119.87 3iae h ARG 12 Ca 0.08 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 3iae h ARG 12 Cb 0.62 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3iae h ARG 12 CO 0.04 0.61 -0.43 1.15 -1.07 0.00 0.00 179.97 180.26 3iae h THR 13 N 0.85 1.28 -0.77 2.04 2.02 -1.24 -2.39 112.91 114.70 3iae h THR 13 Ca 0.22 -1.61 -0.03 0.00 0.77 0.00 0.00 66.41 65.76 3iae h THR 13 Cb 0.01 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 3iae h THR 13 CO -0.04 0.53 0.38 -0.07 0.37 0.00 0.00 175.52 176.69 3iae h LEU 14 N 0.65 1.00 -0.41 2.58 3.38 -0.47 -0.87 115.31 121.17 3iae h LEU 14 Ca 0.04 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3iae h LEU 14 Cb 1.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3iae h LEU 14 CO 0.10 0.84 0.05 0.40 0.09 0.00 0.00 178.44 179.93 3iae h ILE 15 N 1.08 1.25 0.00 1.22 2.04 -0.85 -1.91 117.51 120.34 3iae h ILE 15 Ca 0.27 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 3iae h ILE 15 Cb 0.10 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3iae h ILE 15 CO -0.04 0.31 -0.10 0.50 0.00 0.00 0.00 178.15 178.82 3iae h LYS 16 N 0.54 0.00 0.00 2.37 3.64 -1.22 -0.88 116.57 121.01 3iae h LYS 16 Ca 0.12 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 3iae h LYS 16 Cb 0.40 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3iae h LYS 16 CO 0.01 0.10 -0.43 0.00 -2.27 0.00 0.00 179.45 176.87 3iae h ALA 17 N 1.90 0.76 0.00 5.00 0.00 -0.77 -3.38 119.26 122.77 3iae h ALA 17 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3iae h ALA 17 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3iae h ALA 17 CO 0.01 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.20 3iae n GLY 18 N 1.01 1.18 3.76 0.00 0.00 -0.34 -4.97 105.19 105.83 3iae n GLY 18 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3iae n GLY 18 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iae s VAL 19 N -2.00 4.20 0.00 1.61 -7.23 -0.82 -4.95 120.40 111.20 3iae s VAL 19 Ca 0.00 1.95 0.00 0.00 -1.81 0.00 0.00 61.98 62.12 3iae s VAL 19 Cb 0.00 -4.26 0.00 0.00 0.56 0.00 0.00 36.38 32.68 3iae s VAL 19 CO 0.00 0.50 0.00 -0.62 -0.31 0.00 0.00 175.10 174.67 3iae n GLU 20 N 1.59 4.98 -3.98 4.82 1.02 -1.26 -4.57 120.64 123.24 3iae n GLU 20 Ca -0.03 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.98 3iae n GLU 20 Cb 0.48 -0.56 -0.14 0.00 -0.02 0.00 0.00 31.44 31.20 3iae n GLU 20 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3iae s HIS 21 N -1.10 0.20 0.13 -0.32 3.76 -1.26 -4.12 115.29 112.58 3iae s HIS 21 Ca 0.00 -0.09 0.10 0.00 -0.15 0.00 0.00 55.06 54.92 3iae s HIS 21 Cb 0.00 -0.13 -0.04 0.00 1.11 0.00 0.00 32.58 33.52 3iae s HIS 21 CO 0.00 -0.02 -0.24 -0.51 -0.85 0.00 0.00 174.74 173.12 3iae s LEU 22 N -0.21 2.32 -0.09 0.89 1.02 -0.80 -4.49 118.68 117.33 3iae s LEU 22 Ca -0.01 -0.74 0.03 0.00 0.02 0.00 0.00 54.13 53.43 3iae s LEU 22 Cb -0.02 -1.09 0.01 0.00 0.02 0.00 0.00 46.19 45.11 3iae s LEU 22 CO -0.00 0.13 -0.18 -0.36 0.02 0.00 0.00 176.35 175.96 3iae s PHE 23 N -1.17 2.02 0.00 0.29 0.08 -0.57 0.04 117.98 118.67 3iae s PHE 23 Ca 0.12 -0.84 0.00 0.00 0.12 0.00 0.00 56.93 56.33 3iae s PHE 23 Cb -0.10 -1.41 0.00 0.00 -0.57 0.00 0.00 43.02 40.94 3iae s PHE 23 CO 0.06 -0.39 0.00 0.41 -0.10 0.00 0.00 175.22 175.20 3iae n GLY 24 N 3.81 1.58 2.95 4.36 0.00 -0.89 0.29 105.19 117.29 3iae n GLY 24 Ca -0.20 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 3iae n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iae s LEU 25 N 0.00 0.89 0.48 0.99 1.98 -1.11 -1.54 118.68 120.37 3iae s LEU 25 Ca 0.00 0.30 -0.23 0.00 -2.89 0.00 0.00 54.13 51.31 3iae s LEU 25 Cb 0.00 0.41 -0.07 0.00 0.66 0.00 0.00 46.19 47.19 3iae s LEU 25 CO 0.00 -0.13 1.29 -2.28 -1.89 0.00 0.00 176.35 173.34 3iae s HIS 26 N 0.91 2.62 -0.04 5.38 5.65 -1.26 -4.35 115.29 124.19 3iae s HIS 26 Ca -0.07 1.42 -0.17 0.00 0.25 0.00 0.00 55.06 56.50 3iae s HIS 26 Cb -0.09 -3.65 0.03 0.00 -1.18 0.00 0.00 32.58 27.70 3iae s HIS 26 CO -0.05 -2.27 0.37 0.20 -0.65 0.00 0.00 174.74 172.34 3iae s GLY 27 N -0.99 -0.23 0.53 1.59 0.00 -1.26 -4.88 107.32 102.08 3iae s GLY 27 Ca 0.65 0.57 0.19 0.00 0.00 0.00 0.00 44.72 46.12 3iae s GLY 27 CO 0.45 0.35 2.16 1.76 0.00 0.00 0.00 173.10 177.81 3iae h SER 28 N 4.02 0.00 0.43 1.64 0.02 -2.00 -1.47 113.55 116.19 3iae h SER 28 Ca -0.29 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.60 3iae h SER 28 Cb 1.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 3iae h SER 28 CO 0.38 0.02 -0.31 0.45 -1.14 0.00 0.00 176.83 176.22 3iae h HIS 29 N 0.00 0.00 -0.20 3.45 3.86 -1.96 -3.12 115.15 117.18 3iae h HIS 29 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3iae h HIS 29 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3iae h HIS 29 CO 0.00 0.31 0.00 0.44 0.86 0.00 0.00 177.93 179.54 3iae n ILE 30 N -3.94 1.80 -0.01 2.45 -5.35 -0.62 -4.64 119.36 109.06 3iae n ILE 30 Ca -0.02 -1.68 0.02 0.00 -0.27 0.00 0.00 62.75 60.80 3iae n ILE 30 Cb 0.38 -0.01 0.36 0.00 -1.74 0.00 0.00 39.64 38.62 3iae n ILE 30 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 3iae h ASP 31 N 1.32 0.50 0.06 7.28 3.58 -1.32 -2.48 116.42 125.34 3iae h ASP 31 Ca 0.00 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 3iae h ASP 31 Cb 1.11 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.03 3iae h ASP 31 CO 0.11 0.45 -0.05 0.71 -2.88 0.00 0.00 179.24 177.58 3iae h THR 32 N 0.55 1.02 -0.06 2.25 1.35 -1.84 0.20 112.91 116.38 3iae h THR 32 Ca 0.14 -0.19 -0.19 0.00 -0.55 0.00 0.00 66.41 65.61 3iae h THR 32 Cb 0.11 1.10 0.01 0.00 -1.73 0.00 0.00 68.15 67.65 3iae h THR 32 CO -0.01 0.05 -0.72 0.40 -0.25 0.00 0.00 175.52 174.99 3iae h ILE 33 N 0.00 1.34 -0.82 6.82 2.04 -1.67 -2.46 117.51 122.75 3iae h ILE 33 Ca -0.00 -2.02 0.02 0.00 1.00 0.00 0.00 64.86 63.86 3iae h ILE 33 Cb 0.10 2.29 -0.05 0.00 -0.74 0.00 0.00 36.82 38.42 3iae h ILE 33 CO 0.01 0.62 0.53 -0.26 0.00 0.00 0.00 178.15 179.04 3iae h PHE 34 N 0.23 1.00 -0.18 1.37 -1.00 -1.10 -1.28 116.94 115.99 3iae h PHE 34 Ca -0.07 0.03 -0.15 0.00 2.81 0.00 0.00 57.97 60.59 3iae h PHE 34 Cb 1.38 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 40.60 3iae h PHE 34 CO 0.11 0.60 -0.51 1.96 -1.61 0.00 0.00 178.31 178.86 3iae h GLN 35 N 1.05 0.50 -0.24 1.51 1.08 -0.70 -2.26 115.11 116.05 3iae h GLN 35 Ca 0.32 -0.29 -0.17 0.00 -1.45 0.00 0.00 58.65 57.05 3iae h GLN 35 Cb -0.04 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.41 3iae h GLN 35 CO -0.10 0.89 -0.53 0.00 -0.95 0.00 0.00 178.83 178.14 3iae h ALA 36 N 1.06 0.61 -0.15 3.87 0.00 -1.23 -2.73 119.26 120.68 3iae h ALA 36 Ca 0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 3iae h ALA 36 Cb 1.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3iae h ALA 36 CO 0.09 0.68 -0.30 0.00 0.00 0.00 0.00 179.25 179.73 3iae h LEU 38 N 0.26 0.36 -0.90 0.00 6.46 -1.28 0.12 115.31 120.32 3iae h LEU 38 Ca 0.04 -0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 3iae h LEU 38 Cb 0.66 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 3iae h LEU 38 CO 0.05 0.35 0.30 0.44 -0.62 0.00 0.00 178.44 178.96 3iae h ASP 39 N 0.34 1.01 -0.55 1.25 3.32 -1.34 -2.99 116.42 117.45 3iae h ASP 39 Ca 0.10 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3iae h ASP 39 Cb 0.08 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3iae h ASP 39 CO -0.01 0.89 0.00 1.41 -1.72 0.00 0.00 179.24 179.81 3iae n HIS 40 N -4.29 0.73 -4.05 4.55 8.25 -0.97 -4.94 115.22 114.50 3iae n HIS 40 Ca 0.07 -0.37 -0.33 0.00 -0.26 0.00 0.00 57.72 56.83 3iae n HIS 40 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 3iae n HIS 40 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3iae n ASP 41 N 1.14 -3.96 -4.49 0.41 8.00 -0.63 -4.96 116.55 112.06 3iae n ASP 41 Ca 0.19 -0.89 -0.43 0.00 0.71 0.00 0.00 54.79 54.37 3iae n ASP 41 Cb 0.47 -3.36 -0.08 0.00 -0.02 0.00 0.00 41.12 38.13 3iae n ASP 41 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iae s VAL 42 N -3.32 5.06 0.13 2.53 1.01 0.31 -5.03 120.40 121.08 3iae s VAL 42 Ca 0.67 -0.25 -0.31 0.00 0.00 0.00 0.00 61.98 62.09 3iae s VAL 42 Cb -0.35 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 31.90 3iae s VAL 42 CO 0.88 -0.42 1.43 -2.16 0.00 0.00 0.00 175.10 174.82 3iae s PRO 43 N 2.23 4.30 -0.34 2.72 0.04 -1.26 -4.52 135.00 138.17 3iae s PRO 43 Ca 0.14 2.14 -0.09 0.00 0.04 0.00 0.00 61.00 63.22 3iae s PRO 43 Cb -0.17 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.17 3iae s PRO 43 CO 0.14 -0.47 0.15 0.42 0.04 0.00 0.00 177.00 177.28 3iae s ILE 44 N 1.09 4.28 -0.72 0.56 1.01 -1.26 -1.90 121.20 124.26 3iae s ILE 44 Ca 0.66 -0.82 -0.26 0.00 0.00 0.00 0.00 60.65 60.22 3iae s ILE 44 Cb -0.38 -3.32 0.01 0.00 0.01 0.00 0.00 42.46 38.77 3iae s ILE 44 CO 0.31 -0.11 1.54 -0.63 0.00 0.00 0.00 174.94 176.05 3iae s ILE 45 N 1.52 3.58 -0.07 2.92 -1.09 0.11 -4.90 121.20 123.26 3iae s ILE 45 Ca 0.02 0.22 -0.24 0.00 -2.23 0.00 0.00 60.65 58.41 3iae s ILE 45 Cb -0.18 -4.51 -0.03 0.00 -1.58 0.00 0.00 42.46 36.15 3iae s ILE 45 CO 0.05 -1.46 0.74 1.51 -1.23 0.00 0.00 174.94 174.55 3iae s ASP 46 N 5.68 7.03 0.02 3.58 -4.77 -1.26 -2.09 116.67 124.86 3iae s ASP 46 Ca 0.50 1.24 0.00 0.00 -3.30 0.00 0.00 52.55 50.99 3iae s ASP 46 Cb -0.09 -2.43 0.00 0.00 -1.09 0.00 0.00 42.92 39.31 3iae s ASP 46 CO 0.15 -0.15 0.03 0.35 0.70 0.00 0.00 175.17 176.24 3iae n THR 47 N 3.86 0.00 0.57 2.11 -2.24 -0.59 -4.91 114.28 113.09 3iae n THR 47 Ca -0.00 -0.08 0.08 0.00 -2.27 0.00 0.00 64.05 61.79 3iae n THR 47 Cb 0.51 -0.83 0.09 0.00 -2.10 0.00 0.00 70.33 68.00 3iae n THR 47 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3iae n ARG 48 N -0.90 1.53 -3.65 -0.78 5.12 -1.26 -4.88 116.66 111.83 3iae n ARG 48 Ca 0.00 -1.61 -0.13 0.00 -1.93 0.00 0.00 57.85 54.18 3iae n ARG 48 Cb 0.02 -1.33 -0.08 0.00 -1.16 0.00 0.00 32.46 29.91 3iae n ARG 48 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3iae s HIS 49 N -1.34 -0.73 0.44 -1.55 2.46 -1.26 -5.05 115.29 108.26 3iae s HIS 49 Ca 0.22 1.75 0.12 0.00 0.47 0.00 0.00 55.06 57.62 3iae s HIS 49 Cb 0.15 0.27 0.99 0.00 -0.13 0.00 0.00 32.58 33.86 3iae s HIS 49 CO 0.21 -0.36 2.03 0.93 -2.47 0.00 0.00 174.74 175.09 3iae h GLU 50 N 5.32 0.19 -0.42 2.88 3.07 -1.90 -2.11 114.58 121.61 3iae h GLU 50 Ca -0.29 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.54 3iae h GLU 50 Cb 1.17 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.02 3iae h GLU 50 CO 0.11 0.22 0.23 0.00 -1.40 0.00 0.00 179.01 178.17 3iae h ALA 51 N 1.80 0.54 -0.61 3.43 0.00 -1.84 0.50 119.26 123.08 3iae h ALA 51 Ca 0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3iae h ALA 51 Cb 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3iae h ALA 51 CO 0.00 0.06 0.14 0.00 0.00 0.00 0.00 179.25 179.46 3iae h ALA 52 N 1.08 1.09 -0.53 0.00 0.00 -1.77 0.53 119.26 119.66 3iae h ALA 52 Ca 0.15 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3iae h ALA 52 Cb 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3iae h ALA 52 CO -0.02 0.60 0.07 0.00 0.00 0.00 0.00 179.25 179.90 3iae h ALA 53 N 1.23 0.71 -0.31 0.00 0.00 -1.10 0.15 119.26 119.94 3iae h ALA 53 Ca 0.20 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3iae h ALA 53 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3iae h ALA 53 CO 0.00 0.46 0.04 0.78 0.00 0.00 0.00 179.25 180.54 3iae h GLY 54 N 0.77 0.55 1.51 0.00 0.00 -0.62 -1.94 103.07 103.35 3iae h GLY 54 Ca 0.16 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 3iae h GLY 54 CO 0.01 0.35 -0.00 0.45 0.00 0.00 0.00 176.54 177.35 3iae h HIS 55 N 0.33 0.63 -0.54 5.60 3.86 -0.81 -2.38 115.15 121.84 3iae h HIS 55 Ca 0.09 -0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 3iae h HIS 55 Cb 0.36 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 3iae h HIS 55 CO 0.02 0.61 0.18 0.00 0.86 0.00 0.00 177.93 179.61 3iae h ALA 56 N 1.43 0.71 -0.95 2.45 0.00 -0.50 -0.05 119.26 122.34 3iae h ALA 56 Ca 0.12 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3iae h ALA 56 Cb 0.37 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3iae h ALA 56 CO 0.01 0.36 0.62 0.00 0.00 0.00 0.00 179.25 180.24 3iae h ALA 57 N 1.04 1.30 -0.16 0.00 0.00 -1.15 0.49 119.26 120.79 3iae h ALA 57 Ca 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3iae h ALA 57 Cb 0.26 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3iae h ALA 57 CO -0.01 0.64 0.09 0.93 0.00 0.00 0.00 179.25 180.90 3iae h GLU 58 N 1.29 0.21 -0.62 0.00 5.08 -1.01 -1.47 114.58 118.06 3iae h GLU 58 Ca 0.35 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.63 3iae h GLU 58 Cb -0.13 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 3iae h GLU 58 CO -0.07 0.19 0.17 0.78 -1.00 0.00 0.00 179.01 179.08 3iae h GLY 59 N 0.18 1.03 1.04 -3.84 0.00 -0.57 0.45 103.07 101.35 3iae h GLY 59 Ca 0.06 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 3iae h GLY 59 CO -0.01 0.56 0.18 -1.82 0.00 0.00 0.00 176.54 175.45 3iae h TYR 60 N 0.92 1.10 -0.41 5.60 5.03 -0.86 -0.72 116.97 127.63 3iae h TYR 60 Ca 0.20 -0.12 -0.09 0.00 2.58 0.00 0.00 58.73 61.30 3iae h TYR 60 Cb 0.30 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.25 3iae h TYR 60 CO 0.02 0.90 -0.09 0.00 -1.32 0.00 0.00 178.16 177.67 3iae h ALA 61 N 1.08 0.57 0.05 1.82 0.00 -0.68 -1.95 119.26 120.15 3iae h ALA 61 Ca 0.21 -0.32 -0.28 0.00 0.00 0.00 0.00 54.91 54.53 3iae h ALA 61 Cb 0.34 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.00 3iae h ALA 61 CO -0.00 0.44 -1.12 0.00 0.00 0.00 0.00 179.25 178.56 3iae h ARG 62 N 0.61 0.67 -0.00 0.00 3.08 -0.88 -1.26 114.38 116.60 3iae h ARG 62 Ca 0.11 -0.79 -0.23 0.00 0.07 0.00 0.00 59.98 59.14 3iae h ARG 62 Cb 0.61 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3iae h ARG 62 CO 0.04 1.35 -0.95 0.00 -1.07 0.00 0.00 179.97 179.34 3iae h ALA 63 N 0.35 0.34 -0.04 0.04 0.00 -1.21 -3.29 119.26 115.45 3iae h ALA 63 Ca -0.16 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.05 3iae h ALA 63 Cb 1.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3iae h ALA 63 CO 0.22 0.80 0.00 0.41 0.00 0.00 0.00 179.25 180.68 3iae n GLY 64 N 0.95 0.71 3.97 0.00 0.00 -0.73 -4.95 105.19 105.15 3iae n GLY 64 Ca -0.07 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 3iae n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iae n ALA 65 N 0.97 -1.85 -3.07 4.61 0.00 -0.54 -4.95 120.51 115.68 3iae n ALA 65 Ca 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 3iae n ALA 65 Cb 0.52 -2.00 -0.00 0.00 0.00 0.00 0.00 19.45 17.96 3iae n ALA 65 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3iae n LYS 66 N -4.41 0.03 -2.74 0.00 2.85 -0.82 -4.91 118.16 108.17 3iae n LYS 66 Ca -0.23 -0.19 -0.42 0.00 -1.05 0.00 0.00 58.31 56.42 3iae n LYS 66 Cb 0.65 0.17 -0.03 0.00 -0.65 0.00 0.00 35.03 35.16 3iae n LYS 66 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3iae s LEU 67 N 0.00 4.26 0.02 -5.58 2.96 -1.26 -4.40 118.68 114.68 3iae s LEU 67 Ca 0.02 1.48 -0.12 0.00 -0.22 0.00 0.00 54.13 55.30 3iae s LEU 67 Cb 0.00 -3.49 -0.06 0.00 0.50 0.00 0.00 46.19 43.15 3iae s LEU 67 CO 0.01 -0.39 0.37 -0.83 -1.32 0.00 0.00 176.35 174.20 3iae s GLY 68 N 1.07 2.39 -0.19 7.98 0.00 -0.68 -4.76 107.32 113.13 3iae s GLY 68 Ca 0.47 -0.33 0.01 0.00 0.00 0.00 0.00 44.72 44.86 3iae s GLY 68 CO 0.19 -0.04 -0.09 0.14 0.00 0.00 0.00 173.10 173.30 3iae s VAL 69 N -1.21 1.51 -0.00 1.40 1.01 -1.26 -0.35 120.40 121.50 3iae s VAL 69 Ca 0.27 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 3iae s VAL 69 Cb -0.15 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3iae s VAL 69 CO 0.14 0.14 0.25 0.00 0.00 0.00 0.00 175.10 175.64 3iae s ALA 70 N 1.45 3.86 -0.27 5.51 0.00 0.14 -1.51 121.76 130.94 3iae s ALA 70 Ca -0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 3iae s ALA 70 Cb -0.16 -2.04 0.09 0.00 0.00 0.00 0.00 23.12 21.00 3iae s ALA 70 CO -0.08 0.65 0.10 -1.17 0.00 0.00 0.00 175.76 175.27 3iae s LEU 71 N -1.70 1.00 0.34 0.00 1.98 0.14 -0.57 118.68 119.87 3iae s LEU 71 Ca 0.26 -1.22 0.08 0.00 -2.89 0.00 0.00 54.13 50.36 3iae s LEU 71 Cb -0.13 -0.49 -0.07 0.00 0.66 0.00 0.00 46.19 46.16 3iae s LEU 71 CO 0.15 -0.40 -0.06 0.68 -1.89 0.00 0.00 176.35 174.83 3iae s VAL 72 N 1.96 2.00 0.62 1.68 -7.23 0.12 -2.76 120.40 116.79 3iae s VAL 72 Ca 0.07 -2.14 0.07 0.00 -1.81 0.00 0.00 61.98 58.17 3iae s VAL 72 Cb -0.16 -2.66 0.10 0.00 0.56 0.00 0.00 36.38 34.22 3iae s VAL 72 CO -0.27 -0.18 0.86 0.28 -0.31 0.00 0.00 175.10 175.48 3iae s THR 73 N -2.76 2.09 0.70 5.32 -1.32 -1.26 -1.62 115.64 116.79 3iae s THR 73 Ca 0.32 -0.89 -0.16 0.00 -1.21 0.00 0.00 61.69 59.75 3iae s THR 73 Cb 0.04 -2.20 0.02 0.00 -1.51 0.00 0.00 72.50 68.85 3iae s THR 73 CO 0.15 0.00 1.25 0.00 -2.21 0.00 0.00 174.62 173.82 3iae s ALA 74 N -2.82 2.20 0.00 11.08 0.00 -1.21 -1.82 121.76 129.19 3iae s ALA 74 Ca 0.64 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.65 3iae s ALA 74 Cb -0.05 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3iae s ALA 74 CO 0.41 -1.81 0.00 0.41 0.00 0.00 0.00 175.76 174.77 3iae n GLY 75 N 0.68 1.40 0.21 0.00 0.00 -1.10 -2.87 105.19 103.50 3iae n GLY 75 Ca 0.15 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.36 3iae n GLY 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3iae h GLY 76 N 0.00 0.00 0.82 -0.02 0.00 -1.88 -2.30 103.07 99.69 3iae h GLY 76 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3iae h GLY 76 CO 0.00 0.00 0.11 -1.33 0.00 0.00 0.00 176.54 175.32 3iae h GLY 77 N 1.35 0.34 0.72 4.60 0.00 -1.58 -1.36 103.07 107.14 3iae h GLY 77 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3iae h GLY 77 CO 0.04 0.05 -0.00 -2.75 0.00 0.00 0.00 176.54 173.88 3iae h PHE 78 N 0.24 0.12 0.00 5.60 3.57 -1.09 -3.12 116.94 122.25 3iae h PHE 78 Ca 0.12 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3iae h PHE 78 Cb 0.07 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3iae h PHE 78 CO -0.12 0.39 -0.24 1.79 -2.23 0.00 0.00 178.31 177.91 3iae h THR 79 N -0.20 1.17 0.00 4.41 1.35 -1.37 -0.56 112.91 117.72 3iae h THR 79 Ca 0.02 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3iae h THR 79 Cb 0.35 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3iae h THR 79 CO 0.00 0.23 0.00 0.78 -0.25 0.00 0.00 175.52 176.29 3iae h ASN 80 N 0.00 0.00 0.07 5.36 2.35 -1.29 -3.03 115.58 119.04 3iae h ASN 80 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3iae h ASN 80 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3iae h ASN 80 CO 0.03 0.00 -0.12 0.00 -1.65 0.00 0.00 177.43 175.69 3iae n ALA 81 N -1.81 2.80 -0.21 -0.83 0.00 -0.23 -2.44 120.51 117.79 3iae n ALA 81 Ca 0.04 -0.47 -0.07 0.00 0.00 0.00 0.00 53.44 52.94 3iae n ALA 81 Cb 0.34 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.73 3iae n ALA 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iae h VAL 82 N 2.20 1.20 -0.05 0.00 2.07 -1.44 -2.32 116.25 117.91 3iae h VAL 82 Ca 0.00 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 3iae h VAL 82 Cb 0.57 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3iae h VAL 82 CO 0.00 0.23 0.03 0.74 0.02 0.00 0.00 177.57 178.59 3iae h THR 83 N 0.82 1.08 -0.97 2.57 2.02 -1.83 -0.47 112.91 116.13 3iae h THR 83 Ca 0.21 -0.23 0.19 0.00 0.77 0.00 0.00 66.41 67.35 3iae h THR 83 Cb 0.08 1.14 -0.11 0.00 -1.74 0.00 0.00 68.15 67.52 3iae h THR 83 CO -0.03 0.07 0.57 -0.65 0.37 0.00 0.00 175.52 175.85 3iae h PRO 84 N -0.01 0.68 0.09 6.66 0.11 -1.82 0.92 132.00 138.63 3iae h PRO 84 Ca 0.02 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 3iae h PRO 84 Cb 0.08 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.04 3iae h PRO 84 CO -0.00 0.45 -0.04 0.82 -0.21 0.00 0.00 178.00 179.02 3iae h ILE 85 N 0.70 1.09 -0.90 4.15 2.04 -0.90 0.03 117.51 123.72 3iae h ILE 85 Ca 0.57 -0.65 0.07 0.00 1.00 0.00 0.00 64.86 65.84 3iae h ILE 85 Cb 0.91 1.51 -0.06 0.00 -0.74 0.00 0.00 36.82 38.44 3iae h ILE 85 CO -0.40 0.16 0.56 0.00 0.00 0.00 0.00 178.15 178.47 3iae h ALA 86 N 0.47 1.25 -0.28 1.87 0.00 -0.90 0.49 119.26 122.15 3iae h ALA 86 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3iae h ALA 86 Cb 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3iae h ALA 86 CO 0.02 0.31 0.06 -0.97 0.00 0.00 0.00 179.25 178.67 3iae h ASN 87 N 1.01 0.43 0.00 0.00 -0.73 -0.69 -2.32 115.58 113.29 3iae h ASN 87 Ca 0.40 -0.24 -0.05 0.00 1.87 0.00 0.00 56.30 58.28 3iae h ASN 87 Cb 0.20 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 3iae h ASN 87 CO -0.18 0.56 -0.12 0.00 -0.37 0.00 0.00 177.43 177.31 3iae h ALA 88 N 0.89 1.48 0.32 1.57 0.00 -0.68 -1.61 119.26 121.23 3iae h ALA 88 Ca 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3iae h ALA 88 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3iae h ALA 88 CO 0.00 0.36 -0.15 2.35 0.00 0.00 0.00 179.25 181.82 3iae h TRP 89 N 0.25 -0.39 0.00 0.00 2.91 -0.66 -1.18 115.95 116.88 3iae h TRP 89 Ca 0.05 -0.01 -0.13 0.00 1.13 0.00 0.00 58.89 59.94 3iae h TRP 89 Cb 0.38 0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 29.14 3iae h TRP 89 CO 0.01 -0.18 -0.60 -0.07 -1.03 0.00 0.00 178.44 176.57 3iae h LEU 90 N -0.53 0.00 -0.02 0.65 3.38 -1.36 -3.16 115.31 114.28 3iae h LEU 90 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3iae h LEU 90 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3iae h LEU 90 CO 0.07 0.60 -0.35 0.47 0.09 0.00 0.00 178.44 179.32 3iae n ASP 91 N -3.52 0.39 -3.28 -0.43 9.92 -0.61 -4.67 116.55 114.34 3iae n ASP 91 Ca -0.00 -0.08 -0.15 0.00 -0.53 0.00 0.00 54.79 54.02 3iae n ASP 91 Cb 0.67 0.04 0.08 0.00 -0.64 0.00 0.00 41.12 41.27 3iae n ASP 91 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3iae n ARG 92 N -1.46 -4.09 -4.68 -1.24 1.74 -0.54 -4.93 116.66 101.47 3iae n ARG 92 Ca 0.06 0.84 -0.33 0.00 -0.77 0.00 0.00 57.85 57.65 3iae n ARG 92 Cb 0.33 -5.76 -0.13 0.00 -1.02 0.00 0.00 32.46 25.89 3iae n ARG 92 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3iae s THR 93 N -3.37 3.32 -0.82 0.55 -4.23 -0.67 -4.40 115.64 106.03 3iae s THR 93 Ca 0.25 -0.58 -0.25 0.00 -1.18 0.00 0.00 61.69 59.93 3iae s THR 93 Cb -0.03 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.42 3iae s THR 93 CO 0.72 0.53 1.52 -2.16 -0.54 0.00 0.00 174.62 174.69 3iae s PRO 94 N 0.13 3.12 -0.10 3.99 0.04 -1.26 -3.16 135.00 137.76 3iae s PRO 94 Ca -0.05 -0.34 0.02 0.00 0.04 0.00 0.00 61.00 60.67 3iae s PRO 94 Cb -0.14 -4.67 0.01 0.00 0.04 0.00 0.00 34.50 29.74 3iae s PRO 94 CO 0.04 -2.44 -0.15 0.08 0.04 0.00 0.00 177.00 174.57 3iae s VAL 95 N 6.71 1.48 -0.39 -0.36 1.01 -1.24 -1.68 120.40 125.92 3iae s VAL 95 Ca 0.49 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.59 3iae s VAL 95 Cb -0.06 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.99 3iae s VAL 95 CO 0.07 0.44 0.77 -0.22 0.00 0.00 0.00 175.10 176.15 3iae s LEU 96 N 0.87 4.18 -0.45 3.92 0.20 0.53 -1.77 118.68 126.16 3iae s LEU 96 Ca -0.09 0.18 -0.20 0.00 0.69 0.00 0.00 54.13 54.71 3iae s LEU 96 Cb -0.15 -2.98 0.03 0.00 -0.43 0.00 0.00 46.19 42.65 3iae s LEU 96 CO 0.00 -0.78 0.61 -0.36 -0.29 0.00 0.00 176.35 175.53 3iae s PHE 97 N 3.12 3.08 -0.27 5.38 0.08 0.61 -0.69 117.98 129.29 3iae s PHE 97 Ca 0.30 -0.20 -0.13 0.00 0.12 0.00 0.00 56.93 57.02 3iae s PHE 97 Cb -0.13 -3.31 -0.04 0.00 -0.57 0.00 0.00 43.02 38.97 3iae s PHE 97 CO 0.19 -0.88 0.29 -0.51 -0.10 0.00 0.00 175.22 174.21 3iae s LEU 98 N 2.68 4.03 0.01 -0.37 1.43 0.27 -0.54 118.68 126.18 3iae s LEU 98 Ca 0.19 0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.50 3iae s LEU 98 Cb -0.15 -2.29 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 3iae s LEU 98 CO 0.17 -0.12 -0.17 0.28 0.23 0.00 0.00 176.35 176.74 3iae s THR 99 N 1.92 1.32 0.77 5.49 -1.32 -0.74 -0.70 115.64 122.38 3iae s THR 99 Ca 0.11 -0.83 -0.12 0.00 -1.21 0.00 0.00 61.69 59.65 3iae s THR 99 Cb -0.16 -1.13 0.05 0.00 -1.51 0.00 0.00 72.50 69.76 3iae s THR 99 CO 0.10 0.28 1.11 -0.83 -2.21 0.00 0.00 174.62 173.07 3iae s GLY 100 N -0.64 1.62 0.26 6.08 0.00 -0.64 -0.31 107.32 113.69 3iae s GLY 100 Ca 0.06 -0.35 -0.17 0.00 0.00 0.00 0.00 44.72 44.25 3iae s GLY 100 CO 0.00 0.07 0.61 -1.35 0.00 0.00 0.00 173.10 172.43 3iae s SER 101 N -4.20 -0.18 0.51 1.64 1.04 -1.16 -3.31 113.70 108.03 3iae s SER 101 Ca 0.60 -0.75 -0.22 0.00 0.48 0.00 0.00 55.95 56.06 3iae s SER 101 Cb -0.12 0.66 -0.08 0.00 0.10 0.00 0.00 66.02 66.58 3iae s SER 101 CO 0.52 -1.25 1.01 0.61 0.98 0.00 0.00 173.24 175.11 3iae n GLY 102 N -0.42 -0.20 3.63 7.32 0.00 -1.26 -1.47 105.19 112.78 3iae n GLY 102 Ca -0.03 0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3iae n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iae n ALA 103 N -1.06 0.35 -0.21 4.61 0.00 -1.26 -4.15 120.51 118.78 3iae n ALA 103 Ca 0.11 0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.51 3iae n ALA 103 Cb 0.43 -2.14 0.03 0.00 0.00 0.00 0.00 19.45 17.77 3iae n ALA 103 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3iae h LEU 104 N 0.73 1.06-10.22 0.00 3.38 -1.92 -3.35 115.31 104.99 3iae h LEU 104 Ca -0.48 -0.31 -0.52 0.00 0.09 0.00 0.00 57.88 56.66 3iae h LEU 104 Cb 1.35 -0.29 0.13 0.00 0.09 0.00 0.00 40.66 41.95 3iae h LEU 104 CO 0.52 1.11 0.35 0.00 0.09 0.00 0.00 178.44 180.51 3iae s ARG 105 N -5.02 2.29 -1.21 1.13 1.70 -1.26 -2.97 118.95 113.61 3iae s ARG 105 Ca -0.12 1.48 -0.03 0.00 -0.47 0.00 0.00 55.73 56.59 3iae s ARG 105 Cb 0.14 -1.88 0.02 0.00 -0.57 0.00 0.00 34.95 32.66 3iae s ARG 105 CO 0.86 -1.66 0.22 -0.40 -1.08 0.00 0.00 175.30 173.24 3iae n ASP 106 N -2.93 -4.19 -4.75 -2.89 5.68 -1.26 -4.97 116.55 101.23 3iae n ASP 106 Ca 0.11 -0.05 -0.41 0.00 -0.50 0.00 0.00 54.79 53.94 3iae n ASP 106 Cb 0.52 -3.50 -0.03 0.00 -1.14 0.00 0.00 41.12 36.97 3iae n ASP 106 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3iae s ASP 107 N -2.32 6.86 -1.22 -1.12 2.15 -1.16 -3.46 116.67 116.39 3iae s ASP 107 Ca 0.16 2.53 -0.06 0.00 0.43 0.00 0.00 52.55 55.61 3iae s ASP 107 Cb -0.08 -2.63 0.01 0.00 -0.30 0.00 0.00 42.92 39.92 3iae s ASP 107 CO 0.19 -0.51 1.06 1.21 -0.17 0.00 0.00 175.17 176.95 3iae n GLU 108 N 1.73 -7.10 -0.12 4.34 4.07 -1.26 -4.93 120.64 117.38 3iae n GLU 108 Ca 0.03 0.78 0.05 0.00 -0.06 0.00 0.00 57.16 57.96 3iae n GLU 108 Cb 0.42 -5.65 0.11 0.00 -0.06 0.00 0.00 31.44 26.26 3iae n GLU 108 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3iae n THR 109 N -4.59 1.48 -3.60 6.31 -2.24 -1.23 -5.00 114.28 105.42 3iae n THR 109 Ca -0.07 -1.53 -0.27 0.00 -2.27 0.00 0.00 64.05 59.91 3iae n THR 109 Cb 0.58 0.15 0.01 0.00 -2.10 0.00 0.00 70.33 68.98 3iae n THR 109 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3iae n ASN 110 N -0.63 -4.44 -4.62 3.42 3.02 -1.26 -4.97 115.26 105.78 3iae n ASN 110 Ca 0.10 -0.57 -0.25 0.00 -0.03 0.00 0.00 54.58 53.83 3iae n ASN 110 Cb 0.50 -3.60 0.11 0.00 -0.61 0.00 0.00 39.78 36.18 3iae n ASN 110 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3iae s THR 111 N -3.13 2.17 0.18 3.41 -1.32 -1.26 -5.01 115.64 110.67 3iae s THR 111 Ca 0.52 -0.43 -0.32 0.00 -1.21 0.00 0.00 61.69 60.25 3iae s THR 111 Cb -0.26 -2.74 -0.11 0.00 -1.51 0.00 0.00 72.50 67.88 3iae s THR 111 CO 0.64 0.00 1.71 -0.22 -2.21 0.00 0.00 174.62 174.54 3iae s LEU 112 N -5.28 4.38 0.00 9.08 2.96 -1.26 -3.14 118.68 125.41 3iae s LEU 112 Ca 0.66 2.79 0.00 0.00 -0.22 0.00 0.00 54.13 57.36 3iae s LEU 112 Cb -0.06 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.04 3iae s LEU 112 CO 0.46 -0.95 0.00 0.00 -1.32 0.00 0.00 176.35 174.54 3iae n GLN 113 N 4.34 -1.17 -2.02 1.98 6.02 -1.26 -4.83 117.38 120.44 3iae n GLN 113 Ca 0.16 0.29 -0.08 0.00 -0.01 0.00 0.00 57.00 57.36 3iae n GLN 113 Cb 0.36 -4.50 0.01 0.00 1.02 0.00 0.00 30.24 27.14 3iae n GLN 113 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iae n ALA 114 N 1.00 0.37 -0.61 -1.58 0.00 -1.19 -2.70 120.51 115.81 3iae n ALA 114 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3iae n ALA 114 Cb 0.29 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3iae n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iae n GLY 115 N 2.55 0.88 3.35 0.00 0.00 -1.26 -4.84 105.19 105.88 3iae n GLY 115 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3iae n GLY 115 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iae s ILE 116 N -3.25 2.76 -0.85 -0.61 -0.00 -1.26 -5.07 121.20 112.91 3iae s ILE 116 Ca 0.00 -0.79 -0.25 0.00 -0.00 0.00 0.00 60.65 59.61 3iae s ILE 116 Cb 0.00 -2.11 0.04 0.00 -0.00 0.00 0.00 42.46 40.39 3iae s ILE 116 CO 0.00 0.55 1.36 -0.62 -0.00 0.00 0.00 174.94 176.23 3iae s ASP 117 N 0.05 6.27 0.15 4.36 -1.08 -1.26 -4.85 116.67 120.31 3iae s ASP 117 Ca -0.06 -0.83 -0.03 0.00 -0.52 0.00 0.00 52.55 51.11 3iae s ASP 117 Cb -0.15 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.71 3iae s ASP 117 CO 0.05 -1.72 1.35 1.56 0.52 0.00 0.00 175.17 176.92 3iae h GLN 118 N 10.00 0.38 -0.29 4.34 4.20 -1.99 -2.78 115.11 128.96 3iae h GLN 118 Ca -0.09 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.22 3iae h GLN 118 Cb 1.04 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 3iae h GLN 118 CO 1.34 1.05 0.11 0.28 -0.67 0.00 0.00 178.83 180.93 3iae h VAL 119 N 0.23 1.18 -0.71 -0.54 2.07 -1.95 -2.02 116.25 114.51 3iae h VAL 119 Ca -0.06 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3iae h VAL 119 Cb 1.49 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 3iae h VAL 119 CO 0.15 0.19 0.43 0.00 0.02 0.00 0.00 177.57 178.36 3iae h ALA 120 N 0.95 1.42 -0.30 1.67 0.00 -1.94 0.20 119.26 121.25 3iae h ALA 120 Ca 0.10 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3iae h ALA 120 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3iae h ALA 120 CO -0.01 0.51 -0.22 0.52 0.00 0.00 0.00 179.25 180.05 3iae h MET 121 N 0.98 0.57 0.00 0.00 2.07 -1.33 -3.23 114.93 113.98 3iae h MET 121 Ca 0.26 -0.21 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 3iae h MET 121 Cb -0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 31.60 29.66 3iae h MET 121 CO -0.05 0.76 -0.90 0.00 1.07 0.00 0.00 176.91 177.79 3iae n ALA 122 N -2.49 2.89 -0.30 6.32 0.00 -0.78 -4.42 120.51 121.74 3iae n ALA 122 Ca -0.00 -0.29 0.03 0.00 0.00 0.00 0.00 53.44 53.18 3iae n ALA 122 Cb 0.40 -1.09 0.17 0.00 0.00 0.00 0.00 19.45 18.94 3iae n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iae h ALA 123 N 2.32 1.22 0.00 0.00 0.00 -0.65 -1.48 119.26 120.67 3iae h ALA 123 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3iae h ALA 123 Cb 0.84 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3iae h ALA 123 CO 0.00 0.12 0.00 -2.30 0.00 0.00 0.00 179.25 177.07 3iae n PRO 124 N -4.72 0.10 -0.40 0.00 -0.02 -1.26 -3.62 135.00 125.07 3iae n PRO 124 Ca 0.14 0.32 0.06 0.00 -2.02 0.00 0.00 63.50 62.00 3iae n PRO 124 Cb 0.28 -1.68 0.10 0.00 -0.02 0.00 0.00 33.50 32.18 3iae n PRO 124 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3iae n ILE 125 N -1.87 1.21 -4.08 4.25 -5.35 -0.62 -5.05 119.36 107.85 3iae n ILE 125 Ca 0.03 -1.63 -0.13 0.00 -0.27 0.00 0.00 62.75 60.75 3iae n ILE 125 Cb 0.22 0.09 -0.11 0.00 -1.74 0.00 0.00 39.64 38.09 3iae n ILE 125 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3iae s THR 126 N -1.82 0.58 0.33 7.28 -4.23 -0.83 -4.53 115.64 112.41 3iae s THR 126 Ca 0.24 -1.21 0.04 0.00 -1.18 0.00 0.00 61.69 59.58 3iae s THR 126 Cb 0.22 -0.78 0.14 0.00 1.34 0.00 0.00 72.50 73.42 3iae s THR 126 CO -0.01 -0.45 1.85 0.11 -0.54 0.00 0.00 174.62 175.57 3iae h LYS 127 N 4.26 0.49 -2.33 3.99 1.57 -1.58 -3.44 116.57 119.52 3iae h LYS 127 Ca -0.36 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.23 3iae h LYS 127 Cb 1.20 -0.06 -0.23 0.00 0.08 0.00 0.00 32.23 33.22 3iae h LYS 127 CO 0.44 0.56 -0.07 -0.46 -0.57 0.00 0.00 179.45 179.36 3iae s TRP 128 N -4.85 -0.70 -0.03 -1.35 -0.00 -1.26 -5.08 118.94 105.67 3iae s TRP 128 Ca -0.07 1.60 -0.00 0.00 -0.00 0.00 0.00 56.10 57.63 3iae s TRP 128 Cb 0.15 0.29 0.03 0.00 -0.00 0.00 0.00 33.47 33.94 3iae s TRP 128 CO 0.77 -0.35 0.01 0.00 -0.00 0.00 0.00 176.95 177.38 3iae s ALA 129 N 0.69 0.33 -0.10 5.86 0.00 -1.26 -1.50 121.76 125.78 3iae s ALA 129 Ca -0.03 0.15 -0.21 0.00 0.00 0.00 0.00 51.96 51.86 3iae s ALA 129 Cb -0.05 -0.38 0.05 0.00 0.00 0.00 0.00 23.12 22.74 3iae s ALA 129 CO -0.05 -0.15 0.52 -1.58 0.00 0.00 0.00 175.76 174.50 3iae s HIS 130 N 1.22 -0.49 -0.19 0.00 5.04 -0.89 -4.98 115.29 114.99 3iae s HIS 130 Ca -0.07 1.01 -0.06 0.00 -1.54 0.00 0.00 55.06 54.40 3iae s HIS 130 Cb -0.13 0.24 -0.03 0.00 0.04 0.00 0.00 32.58 32.69 3iae s HIS 130 CO -0.02 -0.42 0.04 0.50 -2.34 0.00 0.00 174.74 172.50 3iae s ARG 131 N -0.63 3.83 0.11 2.88 3.52 -1.26 -0.15 118.95 127.24 3iae s ARG 131 Ca -0.07 -0.42 -0.30 0.00 -0.13 0.00 0.00 55.73 54.80 3iae s ARG 131 Cb -0.03 -3.16 -0.07 0.00 -1.56 0.00 0.00 34.95 30.13 3iae s ARG 131 CO 0.05 0.16 1.23 0.08 -0.81 0.00 0.00 175.30 176.01 3iae s VAL 132 N 0.65 3.75 -0.04 7.11 1.01 -0.21 -4.94 120.40 127.73 3iae s VAL 132 Ca 0.02 1.33 0.19 0.00 0.00 0.00 0.00 61.98 63.51 3iae s VAL 132 Cb -0.13 -3.85 -0.29 0.00 0.00 0.00 0.00 36.38 32.11 3iae s VAL 132 CO 0.02 0.14 0.38 0.23 0.00 0.00 0.00 175.10 175.87 3iae n MET 133 N 3.42 0.62 -3.80 2.72 0.00 -1.26 -4.57 117.12 114.25 3iae n MET 133 Ca 0.08 -0.16 -0.13 0.00 0.00 0.00 0.00 57.70 57.49 3iae n MET 133 Cb 0.45 -1.45 -0.14 0.00 0.00 0.00 0.00 33.22 32.09 3iae n MET 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3iae s ALA 134 N -3.23 -0.26 0.41 3.04 0.00 -1.26 -5.03 121.76 115.43 3iae s ALA 134 Ca -0.07 0.43 0.14 0.00 0.00 0.00 0.00 51.96 52.46 3iae s ALA 134 Cb 0.11 -0.27 1.00 0.00 0.00 0.00 0.00 23.12 23.96 3iae s ALA 134 CO 0.78 -0.09 1.92 1.15 0.00 0.00 0.00 175.76 179.52 3iae h THR 135 N 5.37 0.82 0.00 0.00 2.02 -1.94 -0.32 112.91 118.87 3iae h THR 135 Ca -0.31 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 3iae h THR 135 Cb 1.18 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3iae h THR 135 CO 0.44 0.09 -0.13 -0.33 0.37 0.00 0.00 175.52 175.95 3iae h GLU 136 N 0.48 0.00 0.00 6.66 3.07 -1.96 -2.75 114.58 120.08 3iae h GLU 136 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 3iae h GLU 136 Cb 0.77 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 3iae h GLU 136 CO -0.13 0.13 -0.04 0.72 -1.40 0.00 0.00 179.01 178.29 3iae n HIS 137 N -4.00 0.68 0.03 4.33 8.25 -0.13 -4.46 115.22 119.92 3iae n HIS 137 Ca -0.02 0.20 -0.16 0.00 -0.26 0.00 0.00 57.72 57.48 3iae n HIS 137 Cb 0.22 -0.81 -0.10 0.00 1.12 0.00 0.00 29.99 30.42 3iae n HIS 137 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3iae h ILE 138 N 0.00 0.00 -0.43 1.59 2.04 -1.54 -1.92 117.51 117.25 3iae h ILE 138 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 3iae h ILE 138 Cb 0.68 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 3iae h ILE 138 CO 0.00 0.00 0.03 -0.65 0.00 0.00 0.00 178.15 177.53 3iae h PRO 139 N -0.64 0.14 -0.01 2.37 0.11 -1.82 0.17 132.00 132.32 3iae h PRO 139 Ca 0.02 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.02 3iae h PRO 139 Cb 0.71 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 3iae h PRO 139 CO -0.39 0.10 -0.48 0.07 -0.21 0.00 0.00 178.00 177.08 3iae h ARG 140 N 0.15 0.02 0.11 1.05 0.11 -1.83 -2.09 114.38 111.90 3iae h ARG 140 Ca 0.21 -0.01 -0.30 0.00 0.10 0.00 0.00 59.98 59.99 3iae h ARG 140 Cb 0.30 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.41 3iae h ARG 140 CO -0.33 0.50 -1.24 -0.07 0.10 0.00 0.00 179.97 178.93 3iae h LEU 141 N 0.02 0.88 -0.49 0.08 4.07 -0.68 -1.48 115.31 117.70 3iae h LEU 141 Ca -0.00 -0.80 0.00 0.00 0.08 0.00 0.00 57.88 57.16 3iae h LEU 141 Cb 0.86 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 3iae h LEU 141 CO 0.06 1.61 0.32 0.58 -1.08 0.00 0.00 178.44 179.93 3iae h VAL 142 N 0.28 1.13 -0.50 1.22 2.07 -0.65 -0.71 116.25 119.10 3iae h VAL 142 Ca -0.19 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 3iae h VAL 142 Cb 1.91 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 3iae h VAL 142 CO 0.24 0.13 -0.01 -0.03 0.02 0.00 0.00 177.57 177.91 3iae h MET 143 N 0.67 0.89 -0.67 1.57 -1.53 -1.41 -1.63 114.93 112.81 3iae h MET 143 Ca 0.18 -0.29 0.01 0.00 -3.44 0.00 0.00 59.70 56.16 3iae h MET 143 Cb -0.07 -0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 30.87 3iae h MET 143 CO -0.04 0.93 0.44 0.37 0.14 0.00 0.00 176.91 178.75 3iae h GLN 144 N 0.75 0.88 -0.83 0.39 4.15 -1.15 -0.66 115.11 118.63 3iae h GLN 144 Ca 0.14 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3iae h GLN 144 Cb 0.54 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 27.99 3iae h GLN 144 CO 0.03 0.58 0.54 0.00 -1.93 0.00 0.00 178.83 178.05 3iae h ALA 145 N 1.25 1.06 -0.36 3.38 0.00 -0.86 -1.71 119.26 122.02 3iae h ALA 145 Ca 0.25 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3iae h ALA 145 Cb -0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 3iae h ALA 145 CO -0.05 0.49 -0.07 0.82 0.00 0.00 0.00 179.25 180.43 3iae h ILE 146 N 1.14 1.28 -0.89 0.00 2.04 -0.95 -1.69 117.51 118.43 3iae h ILE 146 Ca 0.30 -1.13 0.02 0.00 1.00 0.00 0.00 64.86 65.06 3iae h ILE 146 Cb -0.10 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 3iae h ILE 146 CO -0.06 0.37 0.59 0.03 0.00 0.00 0.00 178.15 179.07 3iae h ARG 147 N 0.47 1.12 -0.49 2.37 3.08 -0.93 -1.26 114.38 118.74 3iae h ARG 147 Ca 0.09 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 3iae h ARG 147 Cb 0.57 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3iae h ARG 147 CO 0.03 0.74 -0.13 0.00 -1.07 0.00 0.00 179.97 179.54 3iae h ALA 148 N 1.47 0.68 -0.43 0.04 0.00 -1.15 -2.75 119.26 117.12 3iae h ALA 148 Ca 0.34 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3iae h ALA 148 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3iae h ALA 148 CO -0.09 0.60 -0.13 0.00 0.00 0.00 0.00 179.25 179.63 3iae h ALA 149 N 0.89 0.59 0.00 0.00 0.00 -0.84 -3.28 119.26 116.62 3iae h ALA 149 Ca 0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3iae h ALA 149 Cb 0.69 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3iae h ALA 149 CO 0.05 0.50 -0.15 -0.07 0.00 0.00 0.00 179.25 179.58 3iae h LEU 150 N 0.67 0.00-10.10 0.00 3.38 -1.26 -2.92 115.31 105.08 3iae h LEU 150 Ca 0.11 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.59 3iae h LEU 150 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3iae h LEU 150 CO 0.05 0.15 0.19 -0.94 0.09 0.00 0.00 178.44 177.98 3iae s SER 151 N -6.27 6.68 0.15 -0.43 1.04 -1.04 -4.74 113.70 109.09 3iae s SER 151 Ca 0.06 1.34 -0.30 0.00 0.48 0.00 0.00 55.95 57.53 3iae s SER 151 Cb 0.06 -2.40 -0.08 0.00 0.10 0.00 0.00 66.02 63.70 3iae s SER 151 CO 0.69 -0.36 1.24 0.00 0.98 0.00 0.00 173.24 175.79 3iae s ALA 152 N -2.26 3.46 0.18 5.32 0.00 -1.26 -2.49 121.76 124.71 3iae s ALA 152 Ca 0.55 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 3iae s ALA 152 Cb -0.10 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 3iae s ALA 152 CO 0.24 -0.44 0.98 -1.25 0.00 0.00 0.00 175.76 175.28 3iae s PRO 153 N 0.24 4.75 0.66 0.00 0.04 -1.26 -4.90 135.00 134.53 3iae s PRO 153 Ca 0.56 1.52 -0.17 0.00 0.04 0.00 0.00 61.00 62.95 3iae s PRO 153 Cb -0.33 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 30.88 3iae s PRO 153 CO 0.34 0.33 1.06 0.54 0.04 0.00 0.00 177.00 179.31 3iae n ARG 154 N 2.08 0.81 -3.71 4.56 3.00 -1.04 -4.99 116.66 117.38 3iae n ARG 154 Ca 0.00 0.33 0.03 0.00 -0.01 0.00 0.00 57.85 58.20 3iae n ARG 154 Cb 0.48 -2.29 0.00 0.00 0.00 0.00 0.00 32.46 30.65 3iae n ARG 154 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3iae s GLY 155 N -1.43 -0.39 0.40 -0.13 0.00 -1.10 -3.80 107.32 100.87 3iae s GLY 155 Ca 0.77 0.64 -0.20 0.00 0.00 0.00 0.00 44.72 45.94 3iae s GLY 155 CO 0.46 2.02 0.90 2.56 0.00 0.00 0.00 173.10 179.03 3iae s PRO 156 N -2.11 4.18 -0.04 2.90 0.04 -1.19 -3.66 135.00 135.12 3iae s PRO 156 Ca 0.20 1.01 0.02 0.00 0.04 0.00 0.00 61.00 62.27 3iae s PRO 156 Cb 0.05 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 32.35 3iae s PRO 156 CO -0.05 0.02 -0.09 0.08 0.04 0.00 0.00 177.00 177.00 3iae s VAL 157 N -2.13 0.86 -0.24 -0.36 1.01 -0.73 -1.44 120.40 117.37 3iae s VAL 157 Ca 0.60 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 62.12 3iae s VAL 157 Cb -0.09 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 3iae s VAL 157 CO 0.14 0.28 0.15 -0.22 0.00 0.00 0.00 175.10 175.45 3iae s LEU 158 N 0.46 4.02 -0.32 3.92 2.96 -0.56 -0.28 118.68 128.87 3iae s LEU 158 Ca -0.08 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.88 3iae s LEU 158 Cb -0.12 -2.08 0.07 0.00 0.50 0.00 0.00 46.19 44.56 3iae s LEU 158 CO 0.01 0.05 0.03 -0.22 -1.32 0.00 0.00 176.35 174.91 3iae s LEU 159 N 1.15 4.18 -0.26 -0.68 0.20 0.30 -2.10 118.68 121.46 3iae s LEU 159 Ca 0.07 -1.48 -0.23 0.00 0.69 0.00 0.00 54.13 53.18 3iae s LEU 159 Cb -0.14 -1.72 -0.01 0.00 -0.43 0.00 0.00 46.19 43.89 3iae s LEU 159 CO 0.05 -0.32 0.75 -0.62 -0.29 0.00 0.00 176.35 175.92 3iae s ASP 160 N 1.32 6.70 -0.36 3.68 -1.08 0.78 -1.79 116.67 125.93 3iae s ASP 160 Ca -0.02 0.83 0.03 0.00 -0.52 0.00 0.00 52.55 52.87 3iae s ASP 160 Cb -0.20 -2.39 0.10 0.00 -1.46 0.00 0.00 42.92 38.97 3iae s ASP 160 CO -0.02 -0.49 0.08 -0.76 0.52 0.00 0.00 175.17 174.49 3iae s LEU 161 N 2.76 4.79 0.51 -1.34 1.43 0.58 -1.04 118.68 126.36 3iae s LEU 161 Ca 0.31 -2.20 -0.22 0.00 -1.03 0.00 0.00 54.13 50.99 3iae s LEU 161 Cb -0.15 -1.65 -0.07 0.00 0.03 0.00 0.00 46.19 44.35 3iae s LEU 161 CO 0.09 -0.39 1.17 -2.65 0.23 0.00 0.00 176.35 174.80 3iae n PRO 162 N 4.21 1.47 -0.27 1.29 -0.02 -1.26 -2.97 135.00 137.45 3iae n PRO 162 Ca 0.04 0.54 -0.02 0.00 -2.02 0.00 0.00 63.50 62.04 3iae n PRO 162 Cb 0.41 -2.33 0.10 0.00 -0.02 0.00 0.00 33.50 31.66 3iae n PRO 162 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3iae h TRP 163 N 1.34 0.86 -0.29 6.00 7.01 -1.42 -0.50 115.95 128.95 3iae h TRP 163 Ca -0.48 0.02 0.07 0.00 2.11 0.00 0.00 58.89 60.61 3iae h TRP 163 Cb 1.32 -0.28 -0.08 0.00 -2.10 0.00 0.00 29.16 28.03 3iae h TRP 163 CO 0.43 0.46 -0.29 0.22 -2.79 0.00 0.00 178.44 176.48 3iae h ASP 164 N 0.87 -0.94 -0.62 2.65 -0.00 -1.85 -0.65 116.42 115.88 3iae h ASP 164 Ca 0.31 0.16 -0.05 0.00 -0.00 0.00 0.00 57.03 57.46 3iae h ASP 164 Cb 0.09 0.43 -0.03 0.00 -0.00 0.00 0.00 39.33 39.82 3iae h ASP 164 CO -0.14 -0.31 0.21 0.40 -0.00 0.00 0.00 179.24 179.40 3iae h ILE 165 N -0.27 1.24 -0.04 2.25 1.08 -1.70 -2.46 117.51 117.61 3iae h ILE 165 Ca 0.15 -0.82 -0.22 0.00 -0.39 0.00 0.00 64.86 63.58 3iae h ILE 165 Cb 0.51 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 3iae h ILE 165 CO -0.45 0.32 -0.87 -0.07 -0.69 0.00 0.00 178.15 176.39 3iae h LEU 166 N 0.96 0.61 -0.40 1.44 3.38 -0.86 -3.29 115.31 117.16 3iae h LEU 166 Ca 0.21 -0.46 -0.14 0.00 0.09 0.00 0.00 57.88 57.59 3iae h LEU 166 Cb 0.27 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3iae h LEU 166 CO -0.01 1.24 -0.65 0.24 0.09 0.00 0.00 178.44 179.35 3iae h MET 167 N 0.30 0.00 -6.87 1.13 2.86 -1.06 0.28 114.93 111.57 3iae h MET 167 Ca -0.07 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.01 3iae h MET 167 Cb 1.49 0.00 0.13 0.00 0.06 0.00 0.00 31.60 33.28 3iae h MET 167 CO 0.16 0.65 0.49 0.09 1.06 0.00 0.00 176.91 179.36 3iae n ASN 168 N -3.47 2.46 -4.33 1.22 5.03 -0.93 -4.63 115.26 110.60 3iae n ASN 168 Ca 0.00 1.06 -0.32 0.00 0.87 0.00 0.00 54.58 56.19 3iae n ASN 168 Cb 0.72 -1.51 -0.15 0.00 -1.02 0.00 0.00 39.78 37.82 3iae n ASN 168 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3iae s GLN 169 N -2.39 3.11 0.25 3.52 -0.21 -1.26 -1.75 119.66 120.92 3iae s GLN 169 Ca 0.64 -0.76 0.07 0.00 0.02 0.00 0.00 55.36 55.33 3iae s GLN 169 Cb -0.48 -2.46 -0.05 0.00 1.00 0.00 0.00 33.01 31.02 3iae s GLN 169 CO 0.55 0.27 -0.10 0.96 -2.12 0.00 0.00 175.29 174.86 3iae s ILE 170 N 0.17 1.71 0.07 1.08 -5.25 -0.87 -4.89 121.20 113.22 3iae s ILE 170 Ca -0.10 -2.17 -0.31 0.00 -0.99 0.00 0.00 60.65 57.08 3iae s ILE 170 Cb -0.16 -2.28 -0.07 0.00 2.95 0.00 0.00 42.46 42.90 3iae s ILE 170 CO 0.06 -0.42 1.48 -0.62 -1.79 0.00 0.00 174.94 173.64 3iae s ASP 171 N -3.39 6.75 0.56 4.36 3.68 -1.26 -1.41 116.67 125.96 3iae s ASP 171 Ca 0.27 2.33 0.33 0.00 2.13 0.00 0.00 52.55 57.61 3iae s ASP 171 Cb 0.02 -2.57 1.66 0.00 -1.45 0.00 0.00 42.92 40.57 3iae s ASP 171 CO 0.10 -0.75 2.12 1.05 0.13 0.00 0.00 175.17 177.81 3iae h GLU 172 N 7.52 0.00 -0.01 4.34 4.11 -1.14 -2.15 114.58 127.25 3iae h GLU 172 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 3iae h GLU 172 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3iae h GLU 172 CO 0.90 0.06 -0.15 -0.25 0.07 0.00 0.00 179.01 179.64 3iae n ASP 173 N -3.34 1.00 0.01 3.06 10.43 -1.26 -4.03 116.55 122.42 3iae n ASP 173 Ca -0.01 -0.99 -0.09 0.00 2.57 0.00 0.00 54.79 56.26 3iae n ASP 173 Cb 0.22 0.05 -0.13 0.00 1.84 0.00 0.00 41.12 43.10 3iae n ASP 173 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 3iae h SER 174 N 1.34 0.06 -3.35 -2.24 4.64 -1.78 -3.45 113.55 108.77 3iae h SER 174 Ca 0.00 -0.10 -0.63 0.00 -0.47 0.00 0.00 61.79 60.60 3iae h SER 174 Cb 0.46 -0.02 -0.33 0.00 -0.31 0.00 0.00 62.40 62.19 3iae h SER 174 CO 0.00 1.08 -0.86 0.54 -0.87 0.00 0.00 176.83 176.73 3iae s VAL 175 N -2.63 1.75 0.14 0.95 0.11 -1.25 -5.11 120.40 114.35 3iae s VAL 175 Ca -0.04 -0.83 -0.16 0.00 -2.93 0.00 0.00 61.98 58.01 3iae s VAL 175 Cb 0.08 -1.54 -0.07 0.00 -1.53 0.00 0.00 36.38 33.32 3iae s VAL 175 CO 0.82 0.49 0.57 0.27 -3.33 0.00 0.00 175.10 173.93 3iae s ILE 176 N 0.51 4.80 -0.33 7.04 -5.25 -1.26 -4.93 121.20 121.77 3iae s ILE 176 Ca -0.16 0.96 -0.21 0.00 -0.99 0.00 0.00 60.65 60.25 3iae s ILE 176 Cb -0.17 -3.78 -0.00 0.00 2.95 0.00 0.00 42.46 41.46 3iae s ILE 176 CO 0.06 0.31 0.67 -0.63 -1.79 0.00 0.00 174.94 173.56 3iae s ILE 177 N -1.40 4.87 0.58 8.37 -1.09 -1.26 -4.80 121.20 126.47 3iae s ILE 177 Ca 0.36 0.79 -0.17 0.00 -2.23 0.00 0.00 60.65 59.41 3iae s ILE 177 Cb -0.16 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.60 3iae s ILE 177 CO 0.19 -0.27 1.06 -2.16 -1.23 0.00 0.00 174.94 172.53 3iae s PRO 178 N 2.76 3.39 0.54 2.79 0.04 -1.26 -5.05 135.00 138.21 3iae s PRO 178 Ca 0.27 1.24 -0.13 0.00 0.04 0.00 0.00 61.00 62.42 3iae s PRO 178 Cb -0.14 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 3iae s PRO 178 CO 0.14 -0.76 0.97 -0.51 0.04 0.00 0.00 177.00 176.88 3iae s ASP 179 N -2.63 6.44 -0.95 6.66 -0.00 -1.26 -4.86 116.67 120.07 3iae s ASP 179 Ca 0.64 1.44 -0.24 0.00 -0.00 0.00 0.00 52.55 54.40 3iae s ASP 179 Cb -0.16 -2.46 0.03 0.00 -0.00 0.00 0.00 42.92 40.33 3iae s ASP 179 CO 0.34 -0.68 1.50 -0.22 -0.00 0.00 0.00 175.17 176.11 3iae s LEU 180 N -4.52 3.40 -1.08 1.23 2.96 -1.26 -4.90 118.68 114.51 3iae s LEU 180 Ca 0.56 -1.14 -0.08 0.00 -0.22 0.00 0.00 54.13 53.25 3iae s LEU 180 Cb -0.10 -2.57 0.27 0.00 0.50 0.00 0.00 46.19 44.29 3iae s LEU 180 CO 0.41 -1.75 1.07 0.52 -1.32 0.00 0.00 176.35 175.28 3iae n VAL 181 N 6.95 4.33 -3.70 1.68 0.31 -1.26 -4.94 118.33 121.69 3iae n VAL 181 Ca 0.29 -5.36 -0.16 0.00 -0.01 0.00 0.00 64.34 59.11 3iae n VAL 181 Cb 0.50 -2.54 -0.15 0.00 -0.91 0.00 0.00 33.84 30.74 3iae n VAL 181 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3iae s LEU 182 N -1.36 0.26 0.25 7.52 2.96 -1.26 -5.13 118.68 121.91 3iae s LEU 182 Ca 0.30 0.30 -0.31 0.00 -0.22 0.00 0.00 54.13 54.21 3iae s LEU 182 Cb -0.09 0.27 -0.11 0.00 0.50 0.00 0.00 46.19 46.76 3iae s LEU 182 CO -0.08 -0.21 1.62 -0.55 -1.32 0.00 0.00 176.35 175.81 3iae s SER 183 N 1.85 6.42 0.40 3.68 0.15 -1.26 -4.90 113.70 120.03 3iae s SER 183 Ca -0.02 2.86 0.21 0.00 0.70 0.00 0.00 55.95 59.71 3iae s SER 183 Cb -0.12 -2.62 0.63 0.00 -1.71 0.00 0.00 66.02 62.20 3iae s SER 183 CO -0.06 -0.91 1.70 0.00 1.20 0.00 0.00 173.24 175.18 3iae h ALA 184 N 5.72 0.92 -2.19 5.45 0.00 -2.00 -3.42 119.26 123.73 3iae h ALA 184 Ca -0.45 -0.26 -0.58 0.00 0.00 0.00 0.00 54.91 53.62 3iae h ALA 184 Cb 1.21 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 3iae h ALA 184 CO 0.86 0.36 0.64 -1.01 0.00 0.00 0.00 179.25 180.10 3iae s HIS 185 N -3.42 3.39 0.73 0.00 3.76 -1.26 -5.02 115.29 113.46 3iae s HIS 185 Ca 0.02 1.42 -0.11 0.00 -0.15 0.00 0.00 55.06 56.24 3iae s HIS 185 Cb 0.09 -3.18 0.03 0.00 1.11 0.00 0.00 32.58 30.62 3iae s HIS 185 CO 0.67 -0.38 1.07 0.20 -0.85 0.00 0.00 174.74 175.46 3iae s GLY 186 N 1.19 1.65 0.44 -2.22 0.00 -1.26 -5.02 107.32 102.09 3iae s GLY 186 Ca 0.43 -0.09 -0.24 0.00 0.00 0.00 0.00 44.72 44.82 3iae s GLY 186 CO 0.10 0.27 1.22 0.00 0.00 0.00 0.00 173.10 174.68 3iae s ALA 187 N -3.13 3.08 0.27 3.20 0.00 -1.26 -4.38 121.76 119.53 3iae s ALA 187 Ca 0.59 1.05 0.10 0.00 0.00 0.00 0.00 51.96 53.70 3iae s ALA 187 Cb -0.14 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3iae s ALA 187 CO 0.54 -0.73 -0.06 -0.98 0.00 0.00 0.00 175.76 174.54 3iae s ARG 188 N -2.49 2.12 0.88 0.00 1.70 -1.26 -1.49 118.95 118.40 3iae s ARG 188 Ca 0.61 -1.51 -0.10 0.00 -0.47 0.00 0.00 55.73 54.25 3iae s ARG 188 Cb -0.32 -2.05 0.12 0.00 -0.57 0.00 0.00 34.95 32.12 3iae s ARG 188 CO 0.40 0.36 1.14 -2.14 -1.08 0.00 0.00 175.30 173.98 3iae s PRO 189 N -3.62 1.32 0.27 3.89 0.02 -1.26 -4.96 135.00 130.66 3iae s PRO 189 Ca 0.31 1.50 -0.30 0.00 0.02 0.00 0.00 61.00 62.53 3iae s PRO 189 Cb -0.06 -1.77 -0.10 0.00 0.02 0.00 0.00 34.50 32.59 3iae s PRO 189 CO 0.18 -2.40 1.41 0.34 -0.33 0.00 0.00 177.00 176.21 3iae s ASP 190 N -2.76 6.66 0.42 2.53 2.15 -1.26 -4.83 116.67 119.57 3iae s ASP 190 Ca 0.66 2.69 0.24 0.00 0.43 0.00 0.00 52.55 56.58 3iae s ASP 190 Cb -0.22 -2.63 1.28 0.00 -0.30 0.00 0.00 42.92 41.05 3iae s ASP 190 CO 0.57 -0.68 1.68 -0.65 -0.17 0.00 0.00 175.17 175.92 3iae h PRO 191 N 4.56 0.21 -0.37 4.34 0.11 -1.98 0.48 132.00 139.35 3iae h PRO 191 Ca -0.47 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 3iae h PRO 191 Cb 1.22 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3iae h PRO 191 CO 0.74 0.14 -0.13 0.00 -0.21 0.00 0.00 178.00 178.54 3iae h ALA 192 N 1.63 0.51 -0.61 -0.75 0.00 -1.99 0.19 119.26 118.24 3iae h ALA 192 Ca 0.73 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 3iae h ALA 192 Cb 2.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 3iae h ALA 192 CO -0.39 0.40 0.06 -0.44 0.00 0.00 0.00 179.25 178.88 3iae h ASP 193 N 0.52 1.01 -0.56 0.00 3.45 -1.35 -1.91 116.42 117.58 3iae h ASP 193 Ca 0.09 -0.28 -0.05 0.00 0.43 0.00 0.00 57.03 57.22 3iae h ASP 193 Cb 0.66 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 39.13 3iae h ASP 193 CO 0.04 1.04 0.16 0.25 -1.57 0.00 0.00 179.24 179.15 3iae h LEU 194 N 0.95 0.84 -0.96 1.55 5.85 -1.01 -1.65 115.31 120.88 3iae h LEU 194 Ca 0.18 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 3iae h LEU 194 Cb 0.48 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3iae h LEU 194 CO 0.02 0.84 -0.06 0.44 -0.34 0.00 0.00 178.44 179.34 3iae h ASP 195 N 0.80 0.67 -0.35 1.25 5.19 -0.87 -1.56 116.42 121.55 3iae h ASP 195 Ca 0.18 -0.17 -0.15 0.00 -0.62 0.00 0.00 57.03 56.27 3iae h ASP 195 Cb 0.32 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 3iae h ASP 195 CO -0.00 0.78 -0.34 -0.61 -3.12 0.00 0.00 179.24 175.94 3iae h GLN 196 N 0.64 0.89 -0.26 3.56 4.15 -1.18 -0.63 115.11 122.28 3iae h GLN 196 Ca 0.12 -0.44 -0.01 0.00 0.77 0.00 0.00 58.65 59.09 3iae h GLN 196 Cb 0.49 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 3iae h GLN 196 CO 0.03 1.09 0.12 0.00 -1.93 0.00 0.00 178.83 178.13 3iae h ALA 197 N 0.86 0.34 -0.62 3.38 0.00 -1.12 -1.37 119.26 120.73 3iae h ALA 197 Ca 0.07 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3iae h ALA 197 Cb 0.92 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3iae h ALA 197 CO 0.08 -0.09 0.03 -0.07 0.00 0.00 0.00 179.25 179.21 3iae h LEU 198 N 0.29 1.03 -0.98 0.00 3.38 -1.28 -1.11 115.31 116.63 3iae h LEU 198 Ca 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3iae h LEU 198 Cb 0.14 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3iae h LEU 198 CO -0.01 1.06 0.47 0.00 0.09 0.00 0.00 178.44 180.06 3iae h ALA 199 N 1.04 1.22 -0.29 1.53 0.00 -0.99 -0.18 119.26 121.60 3iae h ALA 199 Ca 0.18 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3iae h ALA 199 Cb 0.52 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3iae h ALA 199 CO 0.02 0.63 -0.36 -0.07 0.00 0.00 0.00 179.25 179.48 3iae h LEU 200 N 1.20 0.69 -0.72 0.00 3.38 -1.06 -2.80 115.31 116.00 3iae h LEU 200 Ca 0.30 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3iae h LEU 200 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3iae h LEU 200 CO -0.05 0.98 -0.28 0.25 0.09 0.00 0.00 178.44 179.43 3iae h LEU 201 N 0.55 0.70 -0.33 1.67 5.85 -0.54 -1.78 115.31 121.42 3iae h LEU 201 Ca 0.05 -0.26 -0.19 0.00 0.84 0.00 0.00 57.88 58.32 3iae h LEU 201 Cb 0.87 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3iae h LEU 201 CO 0.08 0.94 -0.61 -0.09 -0.34 0.00 0.00 178.44 178.41 3iae h ARG 202 N 0.58 0.75 0.00 1.25 2.43 -1.07 -3.22 114.38 115.11 3iae h ARG 202 Ca 0.07 -0.51 -0.08 0.00 -0.81 0.00 0.00 59.98 58.65 3iae h ARG 202 Cb 0.77 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 3iae h ARG 202 CO 0.06 1.14 -0.40 -0.22 -1.51 0.00 0.00 179.97 179.04 3iae h LYS 203 N 0.56 0.00 -6.89 0.20 3.64 -1.40 -3.46 116.57 109.22 3iae h LYS 203 Ca -0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 3iae h LYS 203 Cb 1.21 0.00 0.08 0.00 -0.41 0.00 0.00 32.23 33.10 3iae h LYS 203 CO 0.13 0.40 0.69 0.00 -2.27 0.00 0.00 179.45 178.39 3iae s ALA 204 N -3.45 3.53 -0.05 5.00 0.00 -0.68 -4.96 121.76 121.15 3iae s ALA 204 Ca 0.01 1.36 0.01 0.00 0.00 0.00 0.00 51.96 53.34 3iae s ALA 204 Cb 0.10 -3.52 -0.26 0.00 0.00 0.00 0.00 23.12 19.44 3iae s ALA 204 CO 0.70 -0.77 0.66 0.93 0.00 0.00 0.00 175.76 177.27 3iae h GLU 205 N 3.36 0.17 -2.09 0.00 5.08 -1.89 -3.41 114.58 115.80 3iae h GLU 205 Ca -0.49 -0.28 -0.57 0.00 -1.00 0.00 0.00 59.36 57.02 3iae h GLU 205 Cb 1.23 0.11 -0.40 0.00 0.50 0.00 0.00 28.75 30.18 3iae h GLU 205 CO 0.66 0.94 -0.91 0.54 -1.00 0.00 0.00 179.01 179.24 3iae n ARG 206 N -3.33 1.57 -2.80 2.33 1.74 -1.26 -4.96 116.66 109.96 3iae n ARG 206 Ca -0.21 -3.86 -0.33 0.00 -0.77 0.00 0.00 57.85 52.68 3iae n ARG 206 Cb 1.04 -1.71 -0.06 0.00 -1.02 0.00 0.00 32.46 30.72 3iae n ARG 206 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3iae s PRO 207 N -1.97 4.09 -0.01 5.56 0.04 -1.26 -0.46 135.00 140.99 3iae s PRO 207 Ca 0.39 0.95 -0.02 0.00 0.04 0.00 0.00 61.00 62.35 3iae s PRO 207 Cb 0.20 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3iae s PRO 207 CO -0.08 -0.04 0.05 0.08 0.04 0.00 0.00 177.00 177.05 3iae s VAL 208 N -2.25 0.02 -0.10 -0.36 1.01 0.36 -4.27 120.40 114.81 3iae s VAL 208 Ca 0.59 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 3iae s VAL 208 Cb -0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 3iae s VAL 208 CO 0.19 -0.10 -0.00 -0.63 0.00 0.00 0.00 175.10 174.56 3iae s ILE 209 N -0.28 4.26 -0.14 2.22 1.01 -0.62 -0.42 121.20 127.23 3iae s ILE 209 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.36 3iae s ILE 209 Cb -0.02 -2.81 0.02 0.00 0.01 0.00 0.00 42.46 39.66 3iae s ILE 209 CO 0.00 0.57 -0.12 -0.69 0.00 0.00 0.00 174.94 174.71 3iae s VAL 210 N -0.57 1.40 0.01 2.92 1.01 -0.01 0.10 120.40 125.27 3iae s VAL 210 Ca 0.09 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 3iae s VAL 210 Cb -0.12 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 3iae s VAL 210 CO 0.02 0.41 0.25 -0.76 0.00 0.00 0.00 175.10 175.02 3iae s LEU 211 N 1.55 4.36 0.00 3.92 1.43 -0.24 -0.64 118.68 129.07 3iae s LEU 211 Ca 0.05 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 3iae s LEU 211 Cb -0.13 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.39 3iae s LEU 211 CO -0.10 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.33 3iae n GLY 212 N 1.00 5.50 0.33 -3.19 0.00 0.28 -2.09 105.19 107.03 3iae n GLY 212 Ca -0.10 -2.10 -0.06 0.00 0.00 0.00 0.00 46.02 43.75 3iae n GLY 212 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iae h SER 213 N 0.00 1.07 0.23 1.61 4.64 -1.85 -2.90 113.55 116.35 3iae h SER 213 Ca 0.00 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 3iae h SER 213 Cb 0.00 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.81 3iae h SER 213 CO 0.00 0.98 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.57 3iae h GLU 214 N 1.10 0.00 -0.21 4.77 4.39 -1.87 -0.13 114.58 122.63 3iae h GLU 214 Ca 0.24 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.81 3iae h GLU 214 Cb 0.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3iae h GLU 214 CO -0.01 0.04 -0.44 0.00 -1.16 0.00 0.00 179.01 177.44 3iae h ALA 215 N 1.96 0.85 -0.08 3.43 0.00 -1.74 -3.13 119.26 120.55 3iae h ALA 215 Ca -0.00 -0.45 -0.21 0.00 0.00 0.00 0.00 54.91 54.25 3iae h ALA 215 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3iae h ALA 215 CO 0.01 0.65 -0.80 0.77 0.00 0.00 0.00 179.25 179.87 3iae h SER 216 N 0.41 0.65 -0.62 0.00 0.02 -1.12 -2.04 113.55 110.86 3iae h SER 216 Ca 0.03 -0.45 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 3iae h SER 216 Cb 0.94 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 3iae h SER 216 CO 0.08 1.22 0.23 0.03 -1.14 0.00 0.00 176.83 177.25 3iae h ARG 217 N 0.35 0.98 0.00 3.45 2.47 -1.41 -3.05 114.38 117.17 3iae h ARG 217 Ca -0.05 -0.18 -0.26 0.00 -1.26 0.00 0.00 59.98 58.23 3iae h ARG 217 Cb 1.41 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 29.53 3iae h ARG 217 CO 0.15 0.82 -1.51 1.79 0.56 0.00 0.00 179.97 181.78 3iae h THR 218 N 0.95 1.03 -6.25 2.04 1.35 -1.62 -3.44 112.91 106.96 3iae h THR 218 Ca 0.22 -2.82 -0.46 0.00 -0.55 0.00 0.00 66.41 62.80 3iae h THR 218 Cb 0.24 2.50 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 3iae h THR 218 CO -0.01 0.59 -0.81 0.00 -0.25 0.00 0.00 175.52 175.03 3iae n ALA 219 N -2.49 -1.69 -1.87 6.62 0.00 -0.77 -4.88 120.51 115.44 3iae n ALA 219 Ca -0.12 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 3iae n ALA 219 Cb 1.01 -2.97 0.00 0.00 0.00 0.00 0.00 19.45 17.49 3iae n ALA 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iae n ARG 220 N -4.46 3.02 -0.06 0.00 5.12 -1.26 -4.76 116.66 114.26 3iae n ARG 220 Ca -0.15 -2.81 -0.14 0.00 -1.93 0.00 0.00 57.85 52.82 3iae n ARG 220 Cb 0.61 -3.21 -0.06 0.00 -1.16 0.00 0.00 32.46 28.64 3iae n ARG 220 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3iae h LYS 221 N 5.94 0.62 -0.56 5.56 1.57 -1.93 -1.52 116.57 126.25 3iae h LYS 221 Ca 0.53 -0.39 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 3iae h LYS 221 Cb 0.64 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3iae h LYS 221 CO 1.83 1.00 -0.05 1.15 -0.57 0.00 0.00 179.45 182.81 3iae h THR 222 N 0.30 1.27 -0.31 -0.16 2.02 -1.99 -0.73 112.91 113.31 3iae h THR 222 Ca 0.01 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 65.97 3iae h THR 222 Cb 0.97 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 3iae h THR 222 CO 0.08 0.43 0.13 0.00 0.37 0.00 0.00 175.52 176.53 3iae h ALA 223 N 0.95 0.41 -0.62 6.16 0.00 -1.91 -0.65 119.26 123.59 3iae h ALA 223 Ca 0.15 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3iae h ALA 223 Cb 0.61 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3iae h ALA 223 CO 0.04 -0.00 0.41 1.25 0.00 0.00 0.00 179.25 180.94 3iae h LEU 224 N 0.36 0.70 -0.98 0.00 5.85 -1.17 -0.81 115.31 119.26 3iae h LEU 224 Ca 0.10 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 3iae h LEU 224 Cb 0.17 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3iae h LEU 224 CO -0.01 0.50 0.18 -1.28 -0.34 0.00 0.00 178.44 177.49 3iae h SER 225 N 0.83 0.85 -0.39 1.25 0.87 -0.94 -0.27 113.55 115.75 3iae h SER 225 Ca 0.23 -0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 3iae h SER 225 Cb -0.08 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 3iae h SER 225 CO -0.06 0.81 -0.16 0.00 -0.53 0.00 0.00 176.83 176.89 3iae h ALA 226 N 1.31 0.55 -0.39 6.23 0.00 -0.74 -2.01 119.26 124.20 3iae h ALA 226 Ca 0.20 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3iae h ALA 226 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3iae h ALA 226 CO -0.01 0.47 -0.08 0.35 0.00 0.00 0.00 179.25 179.99 3iae h PHE 227 N 0.60 0.83 -0.23 0.00 3.04 -0.91 -2.61 116.94 117.66 3iae h PHE 227 Ca 0.09 -0.17 -0.06 0.00 3.98 0.00 0.00 57.97 61.80 3iae h PHE 227 Cb 0.71 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 3iae h PHE 227 CO 0.06 0.87 -0.11 0.28 -2.02 0.00 0.00 178.31 177.39 3iae h VAL 228 N 0.55 1.30 -0.23 1.41 2.07 -1.07 -2.52 116.25 117.77 3iae h VAL 228 Ca 0.10 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 3iae h VAL 228 Cb 0.59 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3iae h VAL 228 CO 0.04 0.36 -0.11 0.00 0.02 0.00 0.00 177.57 177.88 3iae h ALA 229 N 0.71 1.39 0.00 1.67 0.00 -1.42 0.26 119.26 121.88 3iae h ALA 229 Ca 0.05 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 3iae h ALA 229 Cb 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3iae h ALA 229 CO 0.03 0.42 -0.89 0.00 0.00 0.00 0.00 179.25 178.82 3iae h ALA 230 N 1.54 0.50 0.00 0.00 0.00 -1.43 -3.34 119.26 116.53 3iae h ALA 230 Ca 0.07 -0.72 -0.31 0.00 0.00 0.00 0.00 54.91 53.95 3iae h ALA 230 Cb 0.42 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3iae h ALA 230 CO 0.02 0.90 -2.05 0.25 0.00 0.00 0.00 179.25 178.38 3iae n THR 231 N -3.67 1.41 -1.40 0.00 -2.24 -0.95 -4.42 114.28 103.00 3iae n THR 231 Ca -0.04 -0.81 -0.09 0.00 -2.27 0.00 0.00 64.05 60.84 3iae n THR 231 Cb 0.81 -0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 3iae n THR 231 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iae n GLY 232 N 1.63 0.88 3.70 3.38 0.00 0.91 -4.75 105.19 110.94 3iae n GLY 232 Ca -0.24 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 3iae n GLY 232 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iae s VAL 233 N -2.34 5.09 0.56 1.61 1.01 -1.25 -4.84 120.40 120.24 3iae s VAL 233 Ca 0.00 1.22 -0.20 0.00 0.00 0.00 0.00 61.98 62.99 3iae s VAL 233 Cb 0.00 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3iae s VAL 233 CO 0.00 0.24 1.26 -2.16 0.00 0.00 0.00 175.10 174.45 3iae s PRO 234 N 1.01 3.11 -0.08 2.72 0.04 -1.26 -4.84 135.00 135.70 3iae s PRO 234 Ca 0.32 1.99 0.04 0.00 0.04 0.00 0.00 61.00 63.38 3iae s PRO 234 Cb -0.16 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3iae s PRO 234 CO 0.14 -1.14 -0.19 0.08 0.04 0.00 0.00 177.00 175.93 3iae s VAL 235 N -1.46 1.65 0.43 -0.36 1.01 0.14 -1.59 120.40 120.23 3iae s VAL 235 Ca 0.74 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.99 3iae s VAL 235 Cb -0.34 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3iae s VAL 235 CO 0.39 0.47 0.21 -0.36 0.00 0.00 0.00 175.10 175.81 3iae s PHE 236 N 0.40 2.48 -0.00 5.22 0.08 0.29 -0.29 117.98 126.15 3iae s PHE 236 Ca -0.15 -0.63 -0.27 0.00 0.12 0.00 0.00 56.93 56.01 3iae s PHE 236 Cb -0.16 -1.95 0.06 0.00 -0.57 0.00 0.00 43.02 40.40 3iae s PHE 236 CO 0.06 0.10 0.60 0.00 -0.10 0.00 0.00 175.22 175.88 3iae s ALA 237 N -2.62 -1.56 1.13 5.36 0.00 -0.66 -1.08 121.76 122.33 3iae s ALA 237 Ca 0.39 0.97 -0.19 0.00 0.00 0.00 0.00 51.96 53.13 3iae s ALA 237 Cb 0.03 0.19 0.27 0.00 0.00 0.00 0.00 23.12 23.60 3iae s ALA 237 CO 0.22 -0.43 1.24 -0.40 0.00 0.00 0.00 175.76 176.38 3iae n ASP 238 N 0.70 -1.00 -0.20 0.00 3.85 -0.89 -0.54 116.55 118.47 3iae n ASP 238 Ca -0.19 -1.34 0.01 0.00 -0.71 0.00 0.00 54.79 52.56 3iae n ASP 238 Cb 0.58 -1.03 0.09 0.00 -1.35 0.00 0.00 41.12 39.41 3iae n ASP 238 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.20 178.07 3iae h TYR 239 N -2.27 -0.10 0.00 2.11 0.05 -1.93 -1.89 116.97 112.94 3iae h TYR 239 Ca -0.43 0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.36 3iae h TYR 239 Cb 1.25 0.14 -0.01 0.00 1.01 0.00 0.00 36.73 39.12 3iae h TYR 239 CO 0.00 -0.19 -0.20 1.49 -1.05 0.00 0.00 178.16 178.22 3iae h GLU 240 N 0.09 0.00 -0.01 4.88 4.57 -1.92 -2.98 114.58 119.21 3iae h GLU 240 Ca 0.32 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 3iae h GLU 240 Cb 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 3iae h GLU 240 CO -0.55 0.20 -0.25 0.41 -1.18 0.00 0.00 179.01 177.63 3iae n GLY 241 N 0.37 -0.28 0.13 1.92 0.00 -0.75 -4.56 105.19 102.01 3iae n GLY 241 Ca 0.01 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 3iae n GLY 241 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3iae h LEU 242 N 1.85 0.21 -2.75 0.99 5.85 -1.27 -2.41 115.31 117.78 3iae h LEU 242 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3iae h LEU 242 Cb 0.59 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3iae h LEU 242 CO 0.00 0.16 0.00 0.77 -0.34 0.00 0.00 178.44 179.03 3iae h SER 243 N 0.29 0.00 0.59 1.25 4.64 -1.81 0.83 113.55 119.33 3iae h SER 243 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3iae h SER 243 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3iae h SER 243 CO -0.07 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.12 3iae n MET 244 N -2.99 0.12 0.00 4.77 2.81 -0.91 -2.43 117.12 118.50 3iae n MET 244 Ca -0.03 0.12 0.12 0.00 -1.81 0.00 0.00 57.70 56.10 3iae n MET 244 Cb 0.08 -1.50 0.19 0.00 -0.71 0.00 0.00 33.22 31.28 3iae n MET 244 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3iae n LEU 245 N -1.41 0.74 0.20 4.03 4.77 0.28 -4.43 117.00 121.17 3iae n LEU 245 Ca 0.07 -0.16 0.05 0.00 -0.03 0.00 0.00 56.01 55.94 3iae n LEU 245 Cb 0.22 -0.17 0.41 0.00 -2.33 0.00 0.00 43.42 41.54 3iae n LEU 245 CO 0.18 0.17 0.74 0.28 -1.33 0.00 0.00 177.39 177.43 3iae h SER 246 N 0.30 0.00 0.23 -1.43 0.02 -1.59 -2.55 113.55 108.53 3iae h SER 246 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3iae h SER 246 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3iae h SER 246 CO 0.00 0.34 -0.40 0.61 -1.14 0.00 0.00 176.83 176.24 3iae n GLY 247 N -0.20 -0.66 3.78 -3.77 0.00 -1.26 -4.95 105.19 98.14 3iae n GLY 247 Ca -0.01 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 3iae n GLY 247 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iae s LEU 248 N -2.63 4.46 0.43 0.99 1.43 -0.96 -4.97 118.68 117.43 3iae s LEU 248 Ca 0.20 1.71 -0.22 0.00 -1.03 0.00 0.00 54.13 54.79 3iae s LEU 248 Cb 0.18 -3.66 -0.12 0.00 0.03 0.00 0.00 46.19 42.62 3iae s LEU 248 CO 0.59 0.07 0.57 -0.81 0.23 0.00 0.00 176.35 177.00 3iae n PRO 249 N 1.03 0.61 -0.21 1.29 -0.04 -1.26 -4.90 135.00 131.52 3iae n PRO 249 Ca -0.02 0.22 -0.07 0.00 -0.04 0.00 0.00 63.50 63.59 3iae n PRO 249 Cb 0.49 -1.54 0.03 0.00 -0.04 0.00 0.00 33.50 32.44 3iae n PRO 249 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3iae h ASP 250 N 0.82 0.77 0.52 3.54 3.45 -1.95 -2.66 116.42 120.91 3iae h ASP 250 Ca -0.41 -0.15 0.00 0.00 0.43 0.00 0.00 57.03 56.91 3iae h ASP 250 Cb 1.40 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 3iae h ASP 250 CO 0.52 0.70 0.00 0.00 -1.57 0.00 0.00 179.24 178.89 3iae h ALA 251 N 1.10 1.00 -0.54 3.45 0.00 -1.95 -2.15 119.26 120.17 3iae h ALA 251 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3iae h ALA 251 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3iae h ALA 251 CO -0.02 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.90 3iae n MET 252 N -3.05 2.53 -3.50 0.00 2.81 -1.01 -4.72 117.12 110.19 3iae n MET 252 Ca -0.01 -2.35 -0.40 0.00 -1.81 0.00 0.00 57.70 53.13 3iae n MET 252 Cb 0.19 -1.52 -0.10 0.00 -0.71 0.00 0.00 33.22 31.07 3iae n MET 252 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3iae s ARG 253 N -1.29 3.54 0.14 0.03 0.52 -0.81 0.28 118.95 121.37 3iae s ARG 253 Ca 0.43 -0.56 0.20 0.00 -0.52 0.00 0.00 55.73 55.28 3iae s ARG 253 Cb 0.23 -3.80 -0.07 0.00 0.52 0.00 0.00 34.95 31.84 3iae s ARG 253 CO 0.32 -0.45 0.92 0.41 0.02 0.00 0.00 175.30 176.52 3iae n GLY 254 N 5.06 -1.34 4.44 -3.53 0.00 0.61 -4.75 105.19 105.68 3iae n GLY 254 Ca -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3iae n GLY 254 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iae n GLY 255 N 1.27 0.09 3.77 -0.02 0.00 -1.23 -4.88 105.19 104.18 3iae n GLY 255 Ca -0.04 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 3iae n GLY 255 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iae s LEU 256 N 0.00 4.14 0.56 0.99 1.43 -1.26 -1.66 118.68 122.88 3iae s LEU 256 Ca 0.00 2.37 0.25 0.00 -1.03 0.00 0.00 54.13 55.72 3iae s LEU 256 Cb 0.00 -4.08 1.49 0.00 0.03 0.00 0.00 46.19 43.63 3iae s LEU 256 CO 0.00 -0.77 2.07 -0.37 0.23 0.00 0.00 176.35 177.51 3iae h VAL 257 N 2.19 0.66 -0.55 -1.59 -1.51 -1.15 -1.66 116.25 112.65 3iae h VAL 257 Ca -0.49 0.00 0.16 0.00 -1.23 0.00 0.00 66.70 65.14 3iae h VAL 257 Cb 1.24 0.83 -0.02 0.00 -2.13 0.00 0.00 31.29 31.21 3iae h VAL 257 CO 0.62 0.00 0.51 0.06 -1.23 0.00 0.00 177.57 177.53 3iae h GLN 258 N 0.00 0.00 0.00 5.19 3.07 -1.85 -1.14 115.11 120.38 3iae h GLN 258 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.86 3iae h GLN 258 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.13 3iae h GLN 258 CO -0.00 0.00 -0.02 -0.91 0.09 0.00 0.00 178.83 177.99 3iae h ASN 259 N 0.00 0.00 0.39 0.06 -0.26 -1.64 -2.57 115.58 111.56 3iae h ASN 259 Ca 0.26 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.00 3iae h ASN 259 Cb 1.28 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.54 3iae h ASN 259 CO -0.00 0.02 0.00 0.18 -1.06 0.00 0.00 177.43 176.57 3iae n LEU 260 N -3.21 0.28 -0.03 1.61 7.99 -0.43 -3.75 117.00 119.46 3iae n LEU 260 Ca -0.02 0.59 -0.09 0.00 -0.01 0.00 0.00 56.01 56.48 3iae n LEU 260 Cb 0.17 -0.58 -0.03 0.00 -0.11 0.00 0.00 43.42 42.87 3iae n LEU 260 CO 0.24 -0.50 0.85 0.22 -1.51 0.00 0.00 177.39 176.69 3iae h TYR 261 N 0.00 -0.05 -0.03 -1.77 3.20 -1.60 -2.79 116.97 113.92 3iae h TYR 261 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3iae h TYR 261 Cb 0.19 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3iae h TYR 261 CO 0.00 -0.05 0.00 -1.13 -1.64 0.00 0.00 178.16 175.34 3iae n SER 262 N -5.15 0.45 0.08 -2.11 3.41 -1.25 -3.86 113.62 105.20 3iae n SER 262 Ca -0.03 -1.41 -0.04 0.00 -0.26 0.00 0.00 58.87 57.13 3iae n SER 262 Cb 0.10 -0.02 0.14 0.00 -0.26 0.00 0.00 64.21 64.18 3iae n SER 262 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3iae h PHE 263 N 0.63 0.31 -0.36 7.33 0.04 -1.72 -3.09 116.94 120.08 3iae h PHE 263 Ca 0.00 -0.11 -0.03 0.00 2.80 0.00 0.00 57.97 60.63 3iae h PHE 263 Cb 0.14 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3iae h PHE 263 CO 0.02 0.75 0.09 0.00 -0.60 0.00 0.00 178.31 178.57 3iae h ALA 264 N 1.23 0.47 -0.40 2.45 0.00 -1.76 0.26 119.26 121.51 3iae h ALA 264 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3iae h ALA 264 Cb 1.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3iae h ALA 264 CO 0.09 0.14 0.17 0.87 0.00 0.00 0.00 179.25 180.51 3iae h LYS 265 N 0.42 0.56 -0.52 0.00 1.79 -1.81 -2.43 116.57 114.57 3iae h LYS 265 Ca 0.11 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3iae h LYS 265 Cb 0.30 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 3iae h LYS 265 CO 0.00 0.45 0.00 0.00 -1.08 0.00 0.00 179.45 178.82 3iae n ALA 266 N -2.47 2.72 -3.35 3.86 0.00 -1.13 -4.90 120.51 115.23 3iae n ALA 266 Ca 0.03 -0.74 -0.23 0.00 0.00 0.00 0.00 53.44 52.49 3iae n ALA 266 Cb 0.13 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.58 3iae n ALA 266 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iae n ASP 267 N 0.46 -3.89 -0.05 0.00 9.92 -0.91 -4.85 116.55 117.23 3iae n ASP 267 Ca 0.13 -0.39 0.05 0.00 -0.53 0.00 0.00 54.79 54.05 3iae n ASP 267 Cb 0.46 -3.21 0.07 0.00 -0.64 0.00 0.00 41.12 37.80 3iae n ASP 267 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3iae n ALA 268 N -3.53 2.12 -1.66 2.24 0.00 0.87 -5.03 120.51 115.51 3iae n ALA 268 Ca -0.02 -1.85 -0.49 0.00 0.00 0.00 0.00 53.44 51.09 3iae n ALA 268 Cb 0.55 -0.21 -0.05 0.00 0.00 0.00 0.00 19.45 19.73 3iae n ALA 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iae n ALA 269 N -0.97 0.66 -1.55 0.00 0.00 -0.82 -4.83 120.51 112.99 3iae n ALA 269 Ca 0.08 0.41 -0.47 0.00 0.00 0.00 0.00 53.44 53.46 3iae n ALA 269 Cb 0.47 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 3iae n ALA 269 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3iae n PRO 270 N 4.33 1.03 0.09 0.00 -0.02 -1.26 -4.90 135.00 134.27 3iae n PRO 270 Ca 0.20 0.36 -0.12 0.00 -2.02 0.00 0.00 63.50 61.92 3iae n PRO 270 Cb 0.26 -1.74 -0.11 0.00 -0.02 0.00 0.00 33.50 31.89 3iae n PRO 270 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3iae h ASP 271 N 2.50 0.27 -3.99 2.55 3.58 -1.09 -3.40 116.42 116.83 3iae h ASP 271 Ca -0.40 -0.28 -0.16 0.00 0.42 0.00 0.00 57.03 56.62 3iae h ASP 271 Cb 1.36 -0.09 -0.25 0.00 1.72 0.00 0.00 39.33 42.07 3iae h ASP 271 CO 0.64 1.19 -0.40 -0.22 -2.88 0.00 0.00 179.24 177.57 3iae s LEU 272 N -7.09 1.01 -0.11 2.28 0.20 -1.21 -2.22 118.68 111.55 3iae s LEU 272 Ca -0.02 0.45 -0.01 0.00 0.69 0.00 0.00 54.13 55.24 3iae s LEU 272 Cb 0.08 0.92 0.03 0.00 -0.43 0.00 0.00 46.19 46.80 3iae s LEU 272 CO 0.85 -0.14 -0.05 0.54 -0.29 0.00 0.00 176.35 177.27 3iae s VAL 273 N -0.07 0.83 -0.47 1.68 0.11 -0.70 -0.48 120.40 121.28 3iae s VAL 273 Ca -0.02 -0.19 -0.18 0.00 -2.93 0.00 0.00 61.98 58.66 3iae s VAL 273 Cb -0.02 -0.91 0.05 0.00 -1.53 0.00 0.00 36.38 33.96 3iae s VAL 273 CO 0.01 0.31 0.54 -0.22 -3.33 0.00 0.00 175.10 172.41 3iae s LEU 274 N 1.79 5.01 -0.30 2.54 2.96 0.44 -1.75 118.68 129.37 3iae s LEU 274 Ca 0.05 -0.87 -0.17 0.00 -0.22 0.00 0.00 54.13 52.92 3iae s LEU 274 Cb -0.13 -2.41 -0.02 0.00 0.50 0.00 0.00 46.19 44.13 3iae s LEU 274 CO -0.07 -0.76 0.47 -0.04 -1.32 0.00 0.00 176.35 174.63 3iae s MET 275 N 2.35 3.85 -0.46 1.98 -1.94 0.66 -0.83 119.30 124.91 3iae s MET 275 Ca 0.13 0.02 -0.00 0.00 -1.71 0.00 0.00 55.69 54.13 3iae s MET 275 Cb -0.19 -3.72 0.12 0.00 2.01 0.00 0.00 34.83 33.05 3iae s MET 275 CO 0.12 -0.46 0.23 -0.51 -0.01 0.00 0.00 175.02 174.39 3iae s LEU 276 N 2.27 4.98 0.00 -0.03 1.43 0.19 -0.70 118.68 126.81 3iae s LEU 276 Ca 0.18 -2.40 0.00 0.00 -1.03 0.00 0.00 54.13 50.88 3iae s LEU 276 Cb -0.16 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.31 3iae s LEU 276 CO 0.11 -0.42 0.00 0.61 0.23 0.00 0.00 176.35 176.89 3iae n GLY 277 N 4.03 2.71 3.68 -3.19 0.00 -0.80 -0.56 105.19 111.06 3iae n GLY 277 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3iae n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iae s ALA 278 N -2.38 3.50 0.21 4.61 0.00 -1.26 -4.04 121.76 122.40 3iae s ALA 278 Ca 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 3iae s ALA 278 Cb 0.00 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 3iae s ALA 278 CO 0.00 -0.77 0.42 1.03 0.00 0.00 0.00 175.76 176.44 3iae s ARG 279 N 2.42 3.56 -0.24 0.00 0.52 -1.26 -4.94 118.95 119.01 3iae s ARG 279 Ca 0.48 -0.23 -0.29 0.00 -0.52 0.00 0.00 55.73 55.17 3iae s ARG 279 Cb -0.18 -2.80 -0.02 0.00 0.52 0.00 0.00 34.95 32.46 3iae s ARG 279 CO 0.15 0.38 1.60 -0.06 0.02 0.00 0.00 175.30 177.39 3iae s PHE 280 N -1.87 2.13 -0.22 -0.53 0.40 -1.26 -4.52 117.98 112.11 3iae s PHE 280 Ca 0.40 0.57 0.00 0.00 -0.60 0.00 0.00 56.93 57.30 3iae s PHE 280 Cb -0.11 -4.00 0.00 0.00 0.51 0.00 0.00 43.02 39.42 3iae s PHE 280 CO 0.28 -2.83 0.00 0.41 0.70 0.00 0.00 175.22 173.78 3iae n GLY 281 N 4.71 -0.67 0.27 4.36 0.00 -1.26 -4.84 105.19 107.76 3iae n GLY 281 Ca 0.19 -0.46 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 3iae n GLY 281 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3iae h LEU 282 N 0.00 -0.77 -1.11 0.99 5.85 -1.94 0.87 115.31 119.19 3iae h LEU 282 Ca 0.00 0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 3iae h LEU 282 Cb 0.00 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3iae h LEU 282 CO 0.00 -0.25 -0.31 0.78 -0.34 0.00 0.00 178.44 178.33 3iae h ASN 283 N -0.11 0.00 -0.49 1.25 2.35 -1.96 -3.02 115.58 113.59 3iae h ASN 283 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3iae h ASN 283 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3iae h ASN 283 CO -0.57 0.31 0.00 0.35 -1.65 0.00 0.00 177.43 175.87 3iae n THR 284 N -3.54 1.17 -2.17 2.81 -2.24 -0.87 -4.64 114.28 104.79 3iae n THR 284 Ca -0.00 -1.08 -0.02 0.00 -2.27 0.00 0.00 64.05 60.68 3iae n THR 284 Cb 0.45 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 3iae n THR 284 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iae n GLY 285 N 0.86 0.40 7.00 3.38 0.00 -0.53 -4.15 105.19 112.15 3iae n GLY 285 Ca 0.18 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3iae n GLY 285 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3iae n HIS 286 N -3.71 0.00 -1.27 1.61 8.25 0.29 -1.82 115.22 118.57 3iae n HIS 286 Ca -0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.47 3iae n HIS 286 Cb 0.52 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.84 3iae n HIS 286 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iae n GLY 287 N 0.00 4.67 0.15 -1.41 0.00 -1.26 -4.25 105.19 103.09 3iae n GLY 287 Ca 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 46.02 44.86 3iae n GLY 287 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iae h SER 288 N 1.08 0.00 0.00 1.61 4.64 -1.70 -3.48 113.55 115.71 3iae h SER 288 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3iae h SER 288 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 3iae h SER 288 CO 0.24 0.56 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 3iae n GLY 289 N 0.40 0.52 0.07 -0.77 0.00 -1.26 -4.92 105.19 99.24 3iae n GLY 289 Ca -0.01 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 3iae n GLY 289 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3iae h GLN 290 N 0.96 0.03 0.00 1.61 4.20 -1.89 -3.32 115.11 116.70 3iae h GLN 290 Ca 0.00 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.50 3iae h GLN 290 Cb 0.00 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3iae h GLN 290 CO 0.00 0.98 -1.38 1.28 -0.67 0.00 0.00 178.83 179.04 3iae n LEU 291 N -3.42 1.41 -4.40 1.46 4.77 -1.26 -4.08 117.00 111.48 3iae n LEU 291 Ca -0.01 0.23 -0.44 0.00 -0.03 0.00 0.00 56.01 55.76 3iae n LEU 291 Cb 0.91 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 3iae n LEU 291 CO 0.47 0.00 0.43 -0.63 -1.33 0.00 0.00 177.39 176.33 3iae s ILE 292 N -2.43 4.78 0.51 -0.08 -1.09 -1.26 -4.87 121.20 116.76 3iae s ILE 292 Ca -0.22 -0.80 -0.22 0.00 -2.23 0.00 0.00 60.65 57.19 3iae s ILE 292 Cb 0.06 -4.46 -0.06 0.00 -1.58 0.00 0.00 42.46 36.42 3iae s ILE 292 CO 0.29 -1.08 1.22 -2.84 -1.23 0.00 0.00 174.94 171.31 3iae s PRO 293 N 2.81 3.46 0.41 2.79 0.02 -1.25 -4.05 135.00 139.19 3iae s PRO 293 Ca 0.13 1.90 0.15 0.00 0.02 0.00 0.00 61.00 63.20 3iae s PRO 293 Cb -0.22 -2.28 0.89 0.00 0.02 0.00 0.00 34.50 32.91 3iae s PRO 293 CO 0.08 -0.84 1.91 0.45 -0.33 0.00 0.00 177.00 178.28 3iae h HIS 294 N 1.68 0.00 0.00 6.54 3.86 -1.92 -2.77 115.15 122.55 3iae h HIS 294 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 3iae h HIS 294 Cb 1.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.74 3iae h HIS 294 CO 0.50 0.27 -0.03 0.66 0.86 0.00 0.00 177.93 180.20 3iae h SER 295 N 0.00 0.00 -3.96 2.45 4.64 -1.93 -3.46 113.55 111.28 3iae h SER 295 Ca -0.00 -0.01 -0.48 0.00 -0.47 0.00 0.00 61.79 60.83 3iae h SER 295 Cb 0.50 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.60 3iae h SER 295 CO 0.04 0.00 0.40 0.00 -0.87 0.00 0.00 176.83 176.40 3iae s ALA 296 N -3.11 3.09 -0.14 5.18 0.00 -1.05 -4.99 121.76 120.74 3iae s ALA 296 Ca 0.10 0.66 -0.27 0.00 0.00 0.00 0.00 51.96 52.45 3iae s ALA 296 Cb 0.12 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 3iae s ALA 296 CO 0.61 -0.15 0.92 -0.65 0.00 0.00 0.00 175.76 176.48 3iae s GLN 297 N -2.51 4.36 -0.23 0.00 -0.21 -0.94 -4.93 119.66 115.20 3iae s GLN 297 Ca 0.57 1.20 -0.05 0.00 0.02 0.00 0.00 55.36 57.11 3iae s GLN 297 Cb -0.21 -3.56 -0.01 0.00 1.00 0.00 0.00 33.01 30.23 3iae s GLN 297 CO 0.26 -0.33 -0.01 0.08 -2.12 0.00 0.00 175.29 173.18 3iae s VAL 298 N 2.10 3.63 -0.32 1.09 1.01 -1.26 -1.73 120.40 124.93 3iae s VAL 298 Ca 0.43 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 3iae s VAL 298 Cb -0.17 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 3iae s VAL 298 CO 0.15 0.38 0.24 -0.63 0.00 0.00 0.00 175.10 175.24 3iae s ILE 299 N 1.51 5.28 -0.13 2.22 1.01 -0.71 -0.43 121.20 129.95 3iae s ILE 299 Ca 0.06 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.66 3iae s ILE 299 Cb -0.15 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 3iae s ILE 299 CO -0.01 0.07 -0.15 -1.58 0.00 0.00 0.00 174.94 173.27 3iae s GLN 300 N 1.76 3.28 -0.21 2.79 0.74 -0.20 -0.24 119.66 127.57 3iae s GLN 300 Ca 0.07 -0.73 0.01 0.00 0.05 0.00 0.00 55.36 54.75 3iae s GLN 300 Cb -0.17 -2.58 0.03 0.00 1.10 0.00 0.00 33.01 31.39 3iae s GLN 300 CO 0.11 0.14 -0.15 0.08 -0.55 0.00 0.00 175.29 174.92 3iae s VAL 301 N 0.50 2.28 -0.09 1.34 1.01 0.12 -1.11 120.40 124.45 3iae s VAL 301 Ca -0.10 -1.12 -0.12 0.00 0.00 0.00 0.00 61.98 60.64 3iae s VAL 301 Cb -0.16 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.15 3iae s VAL 301 CO 0.04 0.33 0.31 -0.62 0.00 0.00 0.00 175.10 175.16 3iae s ASP 302 N 1.25 -0.29 0.48 3.32 -1.08 -0.70 -1.90 116.67 117.76 3iae s ASP 302 Ca 0.01 0.50 0.32 0.00 -0.52 0.00 0.00 52.55 52.85 3iae s ASP 302 Cb -0.16 0.56 1.33 0.00 -1.46 0.00 0.00 42.92 43.20 3iae s ASP 302 CO -0.09 -0.19 1.93 1.55 0.52 0.00 0.00 175.17 178.90 3iae h PRO 303 N 5.24 0.00 -5.02 4.34 0.13 -1.77 -2.98 132.00 131.94 3iae h PRO 303 Ca -0.27 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.22 3iae h PRO 303 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 3iae h PRO 303 CO 0.33 0.00 -0.60 0.34 -0.23 0.00 0.00 178.00 177.83 3iae s ASP 304 N -5.27 5.30 0.42 1.44 3.68 -1.26 -4.73 116.67 116.24 3iae s ASP 304 Ca 0.01 -0.13 0.19 0.00 2.13 0.00 0.00 52.55 54.75 3iae s ASP 304 Cb 0.09 -1.94 0.91 0.00 -1.45 0.00 0.00 42.92 40.53 3iae s ASP 304 CO 0.49 0.01 1.87 0.00 0.13 0.00 0.00 175.17 177.67 3iae h ALA 305 N 7.91 1.25 -0.80 3.66 0.00 -1.97 -2.86 119.26 126.45 3iae h ALA 305 Ca -0.37 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 54.39 3iae h ALA 305 Cb 1.18 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 3iae h ALA 305 CO 0.60 0.37 0.52 0.00 0.00 0.00 0.00 179.25 180.74 3iae h GLU 307 N 0.62 0.00 -5.88 0.00 4.39 -1.92 -3.39 114.58 108.40 3iae h GLU 307 Ca 0.38 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.59 3iae h GLU 307 Cb 0.62 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 3iae h GLU 307 CO -0.15 0.14 1.46 -0.51 -1.16 0.00 0.00 179.01 178.78 3iae s LEU 308 N -6.36 3.36 -0.92 1.33 1.02 -0.97 -2.21 118.68 113.94 3iae s LEU 308 Ca 0.04 0.78 -0.05 0.00 0.02 0.00 0.00 54.13 54.93 3iae s LEU 308 Cb 0.07 -2.67 0.01 0.00 0.02 0.00 0.00 46.19 43.62 3iae s LEU 308 CO 0.65 -2.48 0.61 0.61 0.02 0.00 0.00 176.35 175.76 3iae n GLY 309 N 5.78 -0.04 0.18 -3.19 0.00 -1.26 -4.94 105.19 101.72 3iae n GLY 309 Ca 0.27 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 3iae n GLY 309 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3iae h ARG 310 N -1.40 0.25 0.00 1.61 2.43 -1.64 -3.27 114.38 112.37 3iae h ARG 310 Ca -0.35 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3iae h ARG 310 Cb 1.24 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3iae h ARG 310 CO 0.36 0.17 0.00 1.28 -1.51 0.00 0.00 179.97 180.27 3iae n LEU 311 N -5.06 0.98 -3.65 3.80 4.77 -1.26 -5.03 117.00 111.54 3iae n LEU 311 Ca 0.03 -0.98 -0.12 0.00 -0.03 0.00 0.00 56.01 54.92 3iae n LEU 311 Cb 0.18 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 3iae n LEU 311 CO 0.24 0.24 0.32 -1.58 -1.33 0.00 0.00 177.39 175.28 3iae s GLN 312 N -0.05 0.71 0.31 3.23 0.74 -1.23 -4.52 119.66 118.84 3iae s GLN 312 Ca 0.00 0.98 -0.30 0.00 0.05 0.00 0.00 55.36 56.10 3iae s GLN 312 Cb 0.00 0.27 -0.11 0.00 1.10 0.00 0.00 33.01 34.27 3iae s GLN 312 CO 0.00 -0.11 1.57 0.20 -0.55 0.00 0.00 175.29 176.40 3iae s GLY 313 N 0.80 2.27 0.25 2.59 0.00 -1.26 -4.30 107.32 107.66 3iae s GLY 313 Ca -0.04 1.57 0.12 0.00 0.00 0.00 0.00 44.72 46.36 3iae s GLY 313 CO -0.06 2.49 -0.20 -0.26 0.00 0.00 0.00 173.10 175.07 3iae s ILE 314 N -0.21 2.51 0.00 0.90 -4.36 -1.26 -4.76 121.20 114.02 3iae s ILE 314 Ca 0.61 -2.24 -0.04 0.00 -0.26 0.00 0.00 60.65 58.73 3iae s ILE 314 Cb -0.47 -2.28 -0.28 0.00 1.25 0.00 0.00 42.46 40.68 3iae s ILE 314 CO 0.51 -0.30 0.85 0.00 0.24 0.00 0.00 174.94 176.24 3iae h ALA 315 N 2.58 0.26 -2.80 2.27 0.00 -1.10 -3.46 119.26 117.01 3iae h ALA 315 Ca -0.43 -1.11 -0.20 0.00 0.00 0.00 0.00 54.91 53.17 3iae h ALA 315 Cb 1.24 0.29 -0.32 0.00 0.00 0.00 0.00 17.79 19.00 3iae h ALA 315 CO 0.56 1.13 -0.51 -1.17 0.00 0.00 0.00 179.25 179.25 3iae s LEU 316 N -7.00 -0.34 -0.30 0.00 2.96 -0.94 -5.02 118.68 108.05 3iae s LEU 316 Ca -0.09 0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 54.40 3iae s LEU 316 Cb 0.07 0.77 0.04 0.00 0.50 0.00 0.00 46.19 47.57 3iae s LEU 316 CO 0.85 -0.24 0.01 -0.83 -1.32 0.00 0.00 176.35 174.82 3iae s GLY 317 N 2.44 1.75 -0.19 7.98 0.00 -1.26 -1.04 107.32 117.00 3iae s GLY 317 Ca 0.01 -1.70 -0.03 0.00 0.00 0.00 0.00 44.72 43.01 3iae s GLY 317 CO -0.09 0.68 -0.07 -0.42 0.00 0.00 0.00 173.10 173.19 3iae s ILE 318 N 1.30 3.23 -0.45 0.90 1.01 -0.27 -5.02 121.20 121.90 3iae s ILE 318 Ca -0.04 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 59.86 3iae s ILE 318 Cb -0.19 -2.44 0.03 0.00 0.01 0.00 0.00 42.46 39.87 3iae s ILE 318 CO -0.01 0.46 0.63 0.54 0.00 0.00 0.00 174.94 176.56 3iae s VAL 319 N 1.15 4.85 0.23 2.92 0.11 -1.25 -1.73 120.40 126.68 3iae s VAL 319 Ca 0.02 -0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 58.81 3iae s VAL 319 Cb -0.14 -4.21 0.04 0.00 -1.53 0.00 0.00 36.38 30.53 3iae s VAL 319 CO -0.02 -0.63 0.84 0.00 -3.33 0.00 0.00 175.10 171.96 3iae s ALA 320 N 2.75 -1.37 0.24 1.54 0.00 -1.12 -4.90 121.76 118.90 3iae s ALA 320 Ca 0.20 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.70 3iae s ALA 320 Cb -0.15 0.75 -0.09 0.00 0.00 0.00 0.00 23.12 23.63 3iae s ALA 320 CO 0.17 -1.04 1.16 0.34 0.00 0.00 0.00 175.76 176.39 3iae s ASP 321 N -2.96 7.15 0.13 0.00 2.15 -0.56 -2.48 116.67 120.11 3iae s ASP 321 Ca 0.12 2.29 -0.13 0.00 0.43 0.00 0.00 52.55 55.26 3iae s ASP 321 Cb -0.04 -2.62 -0.01 0.00 -0.30 0.00 0.00 42.92 39.95 3iae s ASP 321 CO 0.05 -0.27 1.57 0.58 -0.17 0.00 0.00 175.17 176.93 3iae h VAL 322 N 3.38 1.27 -0.50 1.11 2.07 -1.86 -1.09 116.25 120.63 3iae h VAL 322 Ca -0.46 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 65.93 3iae h VAL 322 Cb 1.21 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 3iae h VAL 322 CO 0.70 0.37 0.16 1.23 0.02 0.00 0.00 177.57 180.05 3iae h GLY 323 N 0.62 0.83 1.21 2.17 0.00 -1.91 -0.51 103.07 105.47 3iae h GLY 323 Ca 0.12 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 3iae h GLY 323 CO 0.03 0.46 0.29 -1.33 0.00 0.00 0.00 176.54 175.99 3iae h GLY 324 N 0.67 1.09 0.79 4.60 0.00 -1.74 -1.29 103.07 107.19 3iae h GLY 324 Ca 0.16 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3iae h GLY 324 CO -0.01 0.53 0.02 -0.84 0.00 0.00 0.00 176.54 176.24 3iae h THR 325 N 1.00 1.21 -0.61 4.70 2.02 -0.97 -0.72 112.91 119.54 3iae h THR 325 Ca 0.24 -0.66 0.05 0.00 0.77 0.00 0.00 66.41 66.81 3iae h THR 325 Cb 0.17 1.48 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 3iae h THR 325 CO -0.02 0.19 0.33 0.40 0.37 0.00 0.00 175.52 176.79 3iae h ILE 326 N -0.09 0.97 -0.76 3.11 2.04 -0.97 0.29 117.51 122.09 3iae h ILE 326 Ca 0.03 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3iae h ILE 326 Cb 0.28 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 3iae h ILE 326 CO 0.00 0.11 0.39 -0.08 0.00 0.00 0.00 178.15 178.58 3iae h GLU 327 N 0.63 1.07 -0.16 2.37 4.57 -1.17 -1.15 114.58 120.73 3iae h GLU 327 Ca 0.27 -0.13 -0.15 0.00 -1.18 0.00 0.00 59.36 58.17 3iae h GLU 327 Cb 0.16 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 3iae h GLU 327 CO -0.17 0.80 -0.54 0.00 -1.18 0.00 0.00 179.01 177.92 3iae h ALA 328 N 1.36 0.76 -0.36 2.92 0.00 -0.17 -2.33 119.26 121.45 3iae h ALA 328 Ca 0.27 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3iae h ALA 328 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3iae h ALA 328 CO -0.04 0.69 -0.22 -0.07 0.00 0.00 0.00 179.25 179.61 3iae h LEU 329 N 0.37 0.81 -0.72 0.00 3.38 -0.14 -1.57 115.31 117.45 3iae h LEU 329 Ca 0.01 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 3iae h LEU 329 Cb 1.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 3iae h LEU 329 CO 0.10 1.06 0.23 0.00 0.09 0.00 0.00 178.44 179.91 3iae h ALA 330 N 0.78 0.94 -0.65 1.53 0.00 -1.24 -1.10 119.26 119.51 3iae h ALA 330 Ca 0.07 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3iae h ALA 330 Cb 0.78 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3iae h ALA 330 CO 0.06 0.62 0.07 0.37 0.00 0.00 0.00 179.25 180.37 3iae h GLN 331 N 1.06 1.10 0.01 0.00 4.15 -1.34 -1.97 115.11 118.12 3iae h GLN 331 Ca 0.23 -0.32 -0.22 0.00 0.77 0.00 0.00 58.65 59.12 3iae h GLN 331 Cb 0.30 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 3iae h GLN 331 CO -0.01 1.03 -0.94 0.00 -1.93 0.00 0.00 178.83 176.99 3iae h ALA 332 N 1.03 0.41 0.00 3.38 0.00 -1.17 -3.27 119.26 119.63 3iae h ALA 332 Ca 0.19 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3iae h ALA 332 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3iae h ALA 332 CO 0.02 0.88 -0.27 2.41 0.00 0.00 0.00 179.25 182.29 3iae n THR 333 N -3.69 0.06 0.11 0.00 -1.04 -0.43 -3.20 114.28 106.09 3iae n THR 333 Ca -0.05 -0.04 -0.01 0.00 -2.04 0.00 0.00 64.05 61.91 3iae n THR 333 Cb 0.84 -0.15 0.01 0.00 -1.82 0.00 0.00 70.33 69.22 3iae n THR 333 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iae h ALA 334 N 2.94 0.60 -0.07 2.41 0.00 -1.41 -3.36 119.26 120.38 3iae h ALA 334 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3iae h ALA 334 Cb 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3iae h ALA 334 CO 0.00 0.86 0.00 0.00 0.00 0.00 0.00 179.25 180.11 3iae n GLN 335 N -3.35 1.81 -3.32 0.00 10.64 -1.21 -5.03 117.38 116.93 3iae n GLN 335 Ca 0.01 -2.55 -0.20 0.00 -1.83 0.00 0.00 57.00 52.43 3iae n GLN 335 Cb 0.78 -1.54 -0.01 0.00 -0.86 0.00 0.00 30.24 28.62 3iae n GLN 335 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 3iae n ASP 336 N -1.12 2.39 -4.74 2.61 3.85 -1.19 -5.10 116.55 113.25 3iae n ASP 336 Ca 0.16 -2.43 -0.32 0.00 -0.71 0.00 0.00 54.79 51.49 3iae n ASP 336 Cb 0.66 0.00 0.11 0.00 -1.35 0.00 0.00 41.12 40.54 3iae n ASP 336 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3iae s ALA 337 N -2.59 2.06 0.10 2.12 0.00 -1.26 -4.93 121.76 117.25 3iae s ALA 337 Ca 0.20 0.45 -0.33 0.00 0.00 0.00 0.00 51.96 52.28 3iae s ALA 337 Cb -0.02 -3.35 -0.13 0.00 0.00 0.00 0.00 23.12 19.63 3iae s ALA 337 CO 0.13 -1.98 1.72 0.00 0.00 0.00 0.00 175.76 175.63 3iae n ALA 338 N -3.49 1.53 -1.97 0.00 0.00 -1.26 -4.98 120.51 110.34 3iae n ALA 338 Ca 0.10 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.59 3iae n ALA 338 Cb 0.52 -2.45 -0.06 0.00 0.00 0.00 0.00 19.45 17.46 3iae n ALA 338 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3iae s TRP 339 N 2.08 3.35 0.62 0.00 0.52 -1.26 -5.03 118.94 119.22 3iae s TRP 339 Ca 0.83 1.41 -0.18 0.00 0.02 0.00 0.00 56.10 58.18 3iae s TRP 339 Cb -0.63 -2.70 -0.04 0.00 -1.15 0.00 0.00 33.47 28.95 3iae s TRP 339 CO 0.41 -0.05 0.92 -2.30 0.02 0.00 0.00 176.95 175.95 3iae n PRO 340 N -0.63 0.80 0.10 4.98 -0.02 -1.26 -4.94 135.00 134.02 3iae n PRO 340 Ca 0.05 0.31 -0.12 0.00 -2.02 0.00 0.00 63.50 61.73 3iae n PRO 340 Cb 0.54 -2.14 -0.07 0.00 -0.02 0.00 0.00 33.50 31.81 3iae n PRO 340 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3iae h ASP 341 N 0.34 -1.12 -0.78 2.55 1.82 -1.96 -3.45 116.42 113.80 3iae h ASP 341 Ca -0.48 0.12 -0.32 0.00 -0.39 0.00 0.00 57.03 55.95 3iae h ASP 341 Cb 1.37 0.41 -0.13 0.00 0.68 0.00 0.00 39.33 41.66 3iae h ASP 341 CO 0.50 -0.41 -0.30 0.54 -1.61 0.00 0.00 179.24 177.96 3iae n ARG 342 N -4.60 -1.11 -0.19 0.28 5.12 -1.26 -4.80 116.66 110.10 3iae n ARG 342 Ca -0.06 1.05 -0.10 0.00 -1.93 0.00 0.00 57.85 56.81 3iae n ARG 342 Cb 0.30 -5.23 0.01 0.00 -1.16 0.00 0.00 32.46 26.38 3iae n ARG 342 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 3iae h GLY 343 N 0.00 1.05 1.35 -0.13 0.00 -1.90 -2.40 103.07 101.03 3iae h GLY 343 Ca -0.33 -0.79 -0.13 0.00 0.00 0.00 0.00 47.33 46.08 3iae h GLY 343 CO 0.48 0.73 -0.32 -0.55 0.00 0.00 0.00 176.54 176.87 3iae h ASP 344 N 0.84 0.76 -0.49 0.19 3.32 -1.99 -2.21 116.42 116.85 3iae h ASP 344 Ca 0.15 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 56.77 3iae h ASP 344 Cb 0.57 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3iae h ASP 344 CO 0.03 1.03 -0.12 -0.25 -1.72 0.00 0.00 179.24 178.20 3iae h TRP 345 N 0.62 1.09 -0.50 4.55 -0.00 -1.92 -1.58 115.95 118.20 3iae h TRP 345 Ca 0.07 -0.22 -0.06 0.00 -0.00 0.00 0.00 58.89 58.68 3iae h TRP 345 Cb 0.85 -0.27 -0.02 0.00 -0.00 0.00 0.00 29.16 29.72 3iae h TRP 345 CO 0.04 1.02 0.08 0.00 -0.00 0.00 0.00 178.44 179.59 3iae h ALA 347 N 1.33 0.83 -0.77 0.00 0.00 -1.21 -1.92 119.26 117.53 3iae h ALA 347 Ca 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3iae h ALA 347 Cb 0.34 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3iae h ALA 347 CO 0.01 0.67 0.44 -0.22 0.00 0.00 0.00 179.25 180.15 3iae h LYS 348 N 0.98 1.07 -0.20 0.00 1.63 -0.93 -0.79 116.57 118.33 3iae h LYS 348 Ca 0.17 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 3iae h LYS 348 Cb 0.57 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 3iae h LYS 348 CO 0.03 0.77 0.10 0.28 -3.45 0.00 0.00 179.45 177.19 3iae h VAL 349 N 1.06 1.13 -0.28 2.00 2.07 -1.16 -2.28 116.25 118.80 3iae h VAL 349 Ca 0.27 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.44 3iae h VAL 349 Cb 0.00 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3iae h VAL 349 CO -0.05 0.13 0.13 0.74 0.02 0.00 0.00 177.57 178.54 3iae h THR 350 N 0.20 0.98 -0.49 2.57 2.02 -1.13 -2.65 112.91 114.40 3iae h THR 350 Ca 0.07 -0.09 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 3iae h THR 350 Cb 0.11 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3iae h THR 350 CO -0.01 0.05 -0.01 0.44 0.37 0.00 0.00 175.52 176.36 3iae h ASP 351 N 0.27 0.80 0.10 4.18 3.45 -1.08 -0.61 116.42 123.52 3iae h ASP 351 Ca 0.12 -0.20 -0.14 0.00 0.43 0.00 0.00 57.03 57.23 3iae h ASP 351 Cb 0.05 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 3iae h ASP 351 CO -0.09 0.87 -0.48 -0.07 -1.57 0.00 0.00 179.24 177.91 3iae h LEU 352 N 0.77 0.48 -0.58 1.55 3.38 -1.35 0.19 115.31 119.76 3iae h LEU 352 Ca 0.15 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 3iae h LEU 352 Cb 0.48 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3iae h LEU 352 CO 0.02 0.88 -0.38 0.00 0.09 0.00 0.00 178.44 179.05 3iae h ALA 353 N 1.13 0.76 -0.37 1.53 0.00 -1.24 -2.73 119.26 118.35 3iae h ALA 353 Ca 0.02 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 3iae h ALA 353 Cb 0.97 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3iae h ALA 353 CO 0.08 0.66 -0.14 0.37 0.00 0.00 0.00 179.25 180.22 3iae h GLN 354 N 0.58 0.74 -0.27 0.00 5.75 -0.85 -2.70 115.11 118.36 3iae h GLN 354 Ca 0.05 -0.31 -0.03 0.00 -0.15 0.00 0.00 58.65 58.22 3iae h GLN 354 Cb 0.92 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.42 3iae h GLN 354 CO 0.08 0.91 0.03 0.93 -2.65 0.00 0.00 178.83 178.14 3iae h GLU 355 N 0.53 0.39 0.03 1.69 5.08 -0.60 0.12 114.58 121.82 3iae h GLU 355 Ca 0.09 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3iae h GLU 355 Cb 0.67 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3iae h GLU 355 CO 0.05 0.40 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.35 3iae h ARG 356 N 0.39 -0.04 -0.69 2.33 2.43 -1.45 -1.63 114.38 115.72 3iae h ARG 356 Ca 0.09 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 3iae h ARG 356 Cb 0.21 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 3iae h ARG 356 CO 0.00 0.34 0.40 -0.92 -1.51 0.00 0.00 179.97 178.29 3iae h TYR 357 N -0.43 0.75 -0.21 2.20 3.20 -1.13 -2.17 116.97 119.18 3iae h TYR 357 Ca -0.00 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.76 3iae h TYR 357 Cb 0.40 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3iae h TYR 357 CO 0.06 0.38 -0.42 0.00 -1.64 0.00 0.00 178.16 176.54 3iae h ALA 358 N 1.34 0.89 -0.24 1.82 0.00 -0.81 -2.35 119.26 119.89 3iae h ALA 358 Ca 0.30 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3iae h ALA 358 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3iae h ALA 358 CO -0.16 0.64 -0.27 1.03 0.00 0.00 0.00 179.25 180.50 3iae h SER 359 N 0.41 0.47 -0.07 0.00 0.87 -0.90 -2.19 113.55 112.14 3iae h SER 359 Ca 0.03 -0.16 -0.25 0.00 -1.23 0.00 0.00 61.79 60.18 3iae h SER 359 Cb 0.91 -0.13 0.02 0.00 -0.44 0.00 0.00 62.40 62.75 3iae h SER 359 CO 0.08 0.73 -0.92 0.40 -0.53 0.00 0.00 176.83 176.59 3iae h ILE 360 N 0.41 1.28 -0.40 2.23 2.04 -1.34 -3.10 117.51 118.63 3iae h ILE 360 Ca 0.06 -2.12 -0.04 0.00 1.00 0.00 0.00 64.86 63.76 3iae h ILE 360 Cb 0.69 2.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.93 3iae h ILE 360 CO 0.05 0.66 0.06 0.00 0.00 0.00 0.00 178.15 178.93 3iae h ALA 361 N 0.48 1.37 0.00 1.87 0.00 -1.29 -0.87 119.26 120.81 3iae h ALA 361 Ca -0.09 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3iae h ALA 361 Cb 1.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3iae h ALA 361 CO 0.18 0.45 -0.50 0.00 0.00 0.00 0.00 179.25 179.38 3iae h ALA 362 N 1.49 0.88 -0.01 0.00 0.00 -1.46 -3.20 119.26 116.96 3iae h ALA 362 Ca 0.13 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3iae h ALA 362 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3iae h ALA 362 CO 0.00 0.62 -0.53 1.63 0.00 0.00 0.00 179.25 180.98 3iae n LYS 363 N -3.51 0.79 -3.23 0.00 5.02 -0.98 -4.90 118.16 111.35 3iae n LYS 363 Ca -0.00 -0.61 -0.38 0.00 -2.02 0.00 0.00 58.31 55.30 3iae n LYS 363 Cb 0.61 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.07 3iae n LYS 363 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3iae s SER 364 N -2.63 6.77 -0.05 4.39 0.01 -0.37 -5.07 113.70 116.75 3iae s SER 364 Ca 0.17 0.92 0.00 0.00 1.31 0.00 0.00 55.95 58.35 3iae s SER 364 Cb 0.18 -2.32 0.02 0.00 0.21 0.00 0.00 66.02 64.11 3iae s SER 364 CO 0.63 -0.04 -0.02 -0.55 0.41 0.00 0.00 173.24 173.66 3iae s SER 365 N 0.70 1.11 -0.17 2.44 0.15 -1.26 -4.96 113.70 111.72 3iae s SER 365 Ca 0.29 -0.10 0.13 0.00 0.70 0.00 0.00 55.95 56.98 3iae s SER 365 Cb -0.16 -0.41 0.68 0.00 -1.71 0.00 0.00 66.02 64.42 3iae s SER 365 CO 0.12 -0.11 1.55 -1.20 1.20 0.00 0.00 173.24 174.80 3iae n SER 366 N 4.48 4.79 -4.72 5.45 7.64 -1.26 -4.46 113.62 125.54 3iae n SER 366 Ca -0.18 -2.67 -0.42 0.00 1.01 0.00 0.00 58.87 56.61 3iae n SER 366 Cb 0.50 -0.62 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 3iae n SER 366 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3iae s GLU 367 N -2.30 4.41 0.00 1.43 2.12 -1.26 -3.71 118.70 119.40 3iae s GLU 367 Ca 0.46 1.90 0.00 0.00 0.36 0.00 0.00 54.97 57.69 3iae s GLU 367 Cb 0.33 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 31.44 3iae s GLU 367 CO 0.16 -0.26 0.00 0.72 -0.54 0.00 0.00 175.26 175.34 3iae n HIS 368 N 3.48 0.00 -3.71 5.30 8.25 -1.26 -4.87 115.22 122.40 3iae n HIS 368 Ca 0.08 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.40 3iae n HIS 368 Cb 0.45 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.47 3iae n HIS 368 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3iae s ALA 369 N -0.11 -1.03 0.09 -1.41 0.00 -1.24 -5.11 121.76 112.95 3iae s ALA 369 Ca 0.00 0.83 -0.31 0.00 0.00 0.00 0.00 51.96 52.48 3iae s ALA 369 Cb 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 23.12 22.77 3iae s ALA 369 CO 0.00 -0.25 1.84 -1.17 0.00 0.00 0.00 175.76 176.18 3iae s LEU 370 N -0.67 4.40 0.14 0.00 2.96 -1.26 -4.34 118.68 119.91 3iae s LEU 370 Ca -0.08 2.69 -0.30 0.00 -0.22 0.00 0.00 54.13 56.22 3iae s LEU 370 Cb -0.04 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.03 3iae s LEU 370 CO 0.04 -1.00 1.05 -2.28 -1.32 0.00 0.00 176.35 172.84 3iae s HIS 371 N 3.20 3.66 0.33 5.38 5.65 -1.26 -0.54 115.29 131.71 3iae s HIS 371 Ca 0.82 1.65 0.09 0.00 0.25 0.00 0.00 55.06 57.87 3iae s HIS 371 Cb -0.44 -3.20 0.84 0.00 -1.18 0.00 0.00 32.58 28.60 3iae s HIS 371 CO 0.37 -0.35 1.79 -1.35 -0.65 0.00 0.00 174.74 174.55 3iae h PRO 372 N 5.49 0.64 -0.50 2.88 0.11 -1.93 -0.25 132.00 138.44 3iae h PRO 372 Ca -0.43 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 3iae h PRO 372 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3iae h PRO 372 CO 0.73 0.42 -0.14 0.35 -0.21 0.00 0.00 178.00 179.15 3iae h PHE 373 N 0.66 1.10 -0.37 0.65 3.04 -1.92 0.30 116.94 120.39 3iae h PHE 373 Ca 0.57 -0.24 -0.08 0.00 3.98 0.00 0.00 57.97 62.19 3iae h PHE 373 Cb 1.03 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 39.26 3iae h PHE 373 CO -0.00 1.05 -0.11 0.45 -2.02 0.00 0.00 178.31 177.67 3iae h HIS 374 N 0.83 0.70 -0.29 0.41 3.86 -1.68 -1.60 115.15 117.38 3iae h HIS 374 Ca 0.12 -0.12 -0.12 0.00 -1.16 0.00 0.00 60.37 59.10 3iae h HIS 374 Cb 0.70 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 3iae h HIS 374 CO 0.05 0.73 -0.32 0.00 0.86 0.00 0.00 177.93 179.25 3iae h ALA 375 N 1.29 0.90 -0.21 2.45 0.00 -0.89 -2.94 119.26 119.88 3iae h ALA 375 Ca 0.11 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3iae h ALA 375 Cb 0.54 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3iae h ALA 375 CO 0.03 0.62 -0.26 0.77 0.00 0.00 0.00 179.25 180.41 3iae h SER 376 N 0.52 0.39 -0.13 0.00 0.02 -0.62 -3.05 113.55 110.68 3iae h SER 376 Ca 0.06 -0.13 -0.11 0.00 -0.84 0.00 0.00 61.79 60.77 3iae h SER 376 Cb 0.81 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 3iae h SER 376 CO 0.07 0.65 -0.28 1.56 -1.14 0.00 0.00 176.83 177.69 3iae h GLN 377 N 0.35 0.59 -0.62 3.45 4.20 -1.17 -1.83 115.11 120.08 3iae h GLN 377 Ca 0.05 -0.25 0.03 0.00 0.06 0.00 0.00 58.65 58.54 3iae h GLN 377 Cb 0.65 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 3iae h GLN 377 CO 0.05 0.81 0.39 0.28 -0.67 0.00 0.00 178.83 179.68 3iae h VAL 378 N 0.51 1.08 -0.35 -0.54 2.07 -1.41 -2.44 116.25 115.18 3iae h VAL 378 Ca 0.07 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 3iae h VAL 378 Cb 0.75 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3iae h VAL 378 CO 0.06 0.14 -0.11 0.40 0.02 0.00 0.00 177.57 178.08 3iae h ILE 379 N 0.76 1.28 -0.77 4.57 2.04 -1.53 -3.25 117.51 120.61 3iae h ILE 379 Ca 0.25 -1.19 0.12 0.00 1.00 0.00 0.00 64.86 65.04 3iae h ILE 379 Cb 0.01 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 3iae h ILE 379 CO -0.10 0.39 0.51 0.00 0.00 0.00 0.00 178.15 178.95 3iae h ALA 380 N 0.80 1.91 0.00 1.87 0.00 -0.97 0.02 119.26 122.90 3iae h ALA 380 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iae h ALA 380 Cb 0.62 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3iae h ALA 380 CO 0.04 -0.09 0.00 1.63 0.00 0.00 0.00 179.25 180.83 3iae n LYS 381 N -4.50 0.07 -0.05 0.00 5.02 -0.95 -2.29 118.16 115.44 3iae n LYS 381 Ca 0.14 0.35 0.06 0.00 -2.02 0.00 0.00 58.31 56.85 3iae n LYS 381 Cb 0.41 -1.64 0.09 0.00 -0.02 0.00 0.00 35.03 33.87 3iae n LYS 381 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3iae n HIS 382 N -1.76 0.14 -3.43 2.13 8.25 -0.01 -4.99 115.22 115.55 3iae n HIS 382 Ca 0.02 -0.13 -0.38 0.00 -0.26 0.00 0.00 57.72 56.97 3iae n HIS 382 Cb 0.16 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.18 3iae n HIS 382 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3iae s VAL 383 N -1.06 5.21 0.00 1.59 1.01 -0.97 -4.91 120.40 121.28 3iae s VAL 383 Ca 0.18 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.75 3iae s VAL 383 Cb 0.12 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3iae s VAL 383 CO 0.17 0.24 0.00 -0.90 0.00 0.00 0.00 175.10 174.60 3iae n ASP 384 N 4.70 0.00 0.30 3.32 5.68 -1.26 -4.46 116.55 124.84 3iae n ASP 384 Ca -0.09 -0.40 0.18 0.00 -0.50 0.00 0.00 54.79 53.98 3iae n ASP 384 Cb 0.51 0.00 0.97 0.00 -1.14 0.00 0.00 41.12 41.46 3iae n ASP 384 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3iae h ALA 385 N 1.54 1.15 -0.44 2.12 0.00 -1.77 -1.58 119.26 120.28 3iae h ALA 385 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iae h ALA 385 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3iae h ALA 385 CO 0.00 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3iae n GLY 386 N -0.84 1.73 3.04 0.00 0.00 -1.26 -3.75 105.19 104.12 3iae n GLY 386 Ca -0.02 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 3iae n GLY 386 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iae s VAL 387 N -1.68 1.09 -0.21 1.61 1.01 -0.65 -0.97 120.40 120.60 3iae s VAL 387 Ca 0.33 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 3iae s VAL 387 Cb 0.21 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 3iae s VAL 387 CO 0.17 0.33 0.02 -0.89 0.00 0.00 0.00 175.10 174.74 3iae s THR 388 N 0.37 4.11 -0.22 3.92 2.01 -0.26 -0.39 115.64 125.18 3iae s THR 388 Ca -0.08 -0.25 -0.09 0.00 0.31 0.00 0.00 61.69 61.58 3iae s THR 388 Cb -0.13 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 3iae s THR 388 CO 0.02 0.40 0.10 -0.69 -0.69 0.00 0.00 174.62 173.77 3iae s VAL 389 N 1.14 4.90 -0.14 3.82 1.01 0.39 -1.00 120.40 130.51 3iae s VAL 389 Ca 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 3iae s VAL 389 Cb -0.14 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 3iae s VAL 389 CO 0.02 0.38 -0.08 -0.69 0.00 0.00 0.00 175.10 174.73 3iae s VAL 390 N 0.94 3.52 -0.05 2.92 1.01 0.22 -0.65 120.40 128.31 3iae s VAL 390 Ca 0.05 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.60 3iae s VAL 390 Cb -0.14 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 3iae s VAL 390 CO 0.03 0.51 -0.25 0.00 0.00 0.00 0.00 175.10 175.39 3iae s ALA 391 N 0.27 2.14 0.28 5.51 0.00 -0.20 0.03 121.76 129.78 3iae s ALA 391 Ca -0.06 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.87 3iae s ALA 391 Cb -0.15 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 3iae s ALA 391 CO 0.04 0.44 0.25 0.34 0.00 0.00 0.00 175.76 176.83 3iae s ASP 392 N -0.28 0.99 -0.21 0.00 -1.08 -0.03 -3.91 116.67 112.15 3iae s ASP 392 Ca 0.00 -1.57 -0.00 0.00 -0.52 0.00 0.00 52.55 50.46 3iae s ASP 392 Cb -0.13 0.50 -0.00 0.00 -1.46 0.00 0.00 42.92 41.83 3iae s ASP 392 CO 0.02 -1.00 0.17 0.61 0.52 0.00 0.00 175.17 175.49 3iae n GLY 393 N -0.48 0.39 7.00 2.66 0.00 -1.26 -3.65 105.19 109.85 3iae n GLY 393 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3iae n GLY 393 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iae n ALA 394 N -1.65 0.00 -0.29 4.61 0.00 -1.26 -0.25 120.51 121.67 3iae n ALA 394 Ca -0.04 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.56 3iae n ALA 394 Cb 0.53 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.40 3iae n ALA 394 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3iae h LEU 395 N 0.00 0.58 0.05 0.00 3.38 -1.95 -1.32 115.31 116.05 3iae h LEU 395 Ca 0.00 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3iae h LEU 395 Cb 0.00 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3iae h LEU 395 CO 0.00 0.22 -0.33 0.74 0.09 0.00 0.00 178.44 179.17 3iae h THR 396 N 0.57 0.30 0.00 0.22 2.02 -0.88 -1.17 112.91 113.98 3iae h THR 396 Ca 0.51 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.58 3iae h THR 396 Cb 1.04 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 3iae h THR 396 CO -0.26 0.00 -0.57 0.10 0.37 0.00 0.00 175.52 175.16 3iae h TYR 397 N -0.51 0.00 -0.41 3.16 -0.00 -1.41 -0.84 116.97 116.97 3iae h TYR 397 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.70 3iae h TYR 397 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.28 3iae h TYR 397 CO -0.33 0.57 -0.09 -0.07 -0.00 0.00 0.00 178.16 178.24 3iae h LEU 398 N 0.00 0.69 0.05 0.10 3.38 -1.11 -0.52 115.31 117.90 3iae h LEU 398 Ca -0.01 -0.19 -0.19 0.00 0.09 0.00 0.00 57.88 57.58 3iae h LEU 398 Cb 1.19 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 41.78 3iae h LEU 398 CO 0.07 0.81 -0.78 -0.50 0.09 0.00 0.00 178.44 178.14 3iae h TRP 399 N 0.65 0.70 -0.31 1.13 4.06 -1.09 -3.33 115.95 117.75 3iae h TRP 399 Ca 0.12 -0.41 -0.01 0.00 2.06 0.00 0.00 58.89 60.64 3iae h TRP 399 Cb 0.53 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.61 3iae h TRP 399 CO 0.02 1.25 0.15 1.25 -3.56 0.00 0.00 178.44 177.56 3iae h LEU 400 N -0.06 0.38 -2.15 -4.49 5.85 -1.05 -2.44 115.31 111.34 3iae h LEU 400 Ca -0.11 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3iae h LEU 400 Cb 1.50 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 3iae h LEU 400 CO 0.15 0.33 -0.03 0.77 -0.34 0.00 0.00 178.44 179.32 3iae h SER 401 N 0.43 0.00 0.93 1.25 4.64 -1.19 -2.00 113.55 117.61 3iae h SER 401 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3iae h SER 401 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3iae h SER 401 CO -0.02 0.03 0.00 -0.33 -0.87 0.00 0.00 176.83 175.65 3iae h GLU 402 N 0.00 0.00 0.00 4.77 4.39 -1.59 -2.96 114.58 119.19 3iae h GLU 402 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3iae h GLU 402 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3iae h GLU 402 CO 0.00 0.00 -0.75 1.33 -1.16 0.00 0.00 179.01 178.43 3iae n VAL 403 N -2.51 0.00 0.22 3.13 0.24 -0.77 -4.64 118.33 114.00 3iae n VAL 403 Ca 0.02 -0.16 0.11 0.00 -2.04 0.00 0.00 64.34 62.27 3iae n VAL 403 Cb 0.28 0.95 0.27 0.00 -1.47 0.00 0.00 33.84 33.88 3iae n VAL 403 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 3iae h MET 404 N 0.00 0.00 -0.04 7.34 2.86 -1.36 -3.28 114.93 120.45 3iae h MET 404 Ca 0.00 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 3iae h MET 404 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3iae h MET 404 CO 0.00 0.11 -0.74 0.77 1.06 0.00 0.00 176.91 178.11 3iae h SER 405 N 0.00 0.31 1.60 1.22 0.02 -1.82 -3.23 113.55 111.64 3iae h SER 405 Ca -0.00 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.68 3iae h SER 405 Cb 0.95 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 3iae h SER 405 CO 0.01 0.94 -0.27 0.03 -1.14 0.00 0.00 176.83 176.41 3iae h ARG 406 N 0.17 0.00 -6.36 3.45 3.08 -1.89 -3.43 114.38 109.40 3iae h ARG 406 Ca -0.03 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.58 3iae h ARG 406 Cb 1.31 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.37 3iae h ARG 406 CO 0.12 0.27 -0.31 0.14 -1.07 0.00 0.00 179.97 179.11 3iae s VAL 407 N -3.16 4.02 -0.60 2.04 -7.23 -1.22 -5.09 120.40 109.17 3iae s VAL 407 Ca 0.05 -0.95 0.04 0.00 -1.81 0.00 0.00 61.98 59.31 3iae s VAL 407 Cb 0.07 -3.40 0.16 0.00 0.56 0.00 0.00 36.38 33.77 3iae s VAL 407 CO 0.70 -0.17 0.40 -0.54 -0.31 0.00 0.00 175.10 175.18 3iae s LYS 408 N -4.22 2.05 0.54 4.82 1.02 -1.26 -4.95 119.74 117.75 3iae s LYS 408 Ca 0.46 -2.90 -0.18 0.00 0.02 0.00 0.00 55.97 53.36 3iae s LYS 408 Cb -0.10 -3.05 -0.06 0.00 -0.52 0.00 0.00 37.83 34.10 3iae s LYS 408 CO 0.32 -1.25 1.06 -1.25 -0.92 0.00 0.00 175.35 173.32 3iae s PRO 409 N -0.84 3.50 0.27 -1.68 0.04 -1.26 -2.44 135.00 132.59 3iae s PRO 409 Ca 0.23 1.35 0.03 0.00 0.04 0.00 0.00 61.00 62.65 3iae s PRO 409 Cb -0.10 -2.05 0.38 0.00 0.04 0.00 0.00 34.50 32.77 3iae s PRO 409 CO -0.11 -0.68 1.69 0.78 0.04 0.00 0.00 177.00 178.71 3iae h GLY 410 N 1.02 0.47 -4.77 0.56 0.00 -0.10 -3.42 103.07 96.84 3iae h GLY 410 Ca -0.49 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 46.31 3iae h GLY 410 CO 0.58 0.38 -0.26 -0.32 0.00 0.00 0.00 176.54 176.92 3iae s GLY 411 N -4.07 -0.21 -0.25 4.60 0.00 -1.13 -4.87 107.32 101.38 3iae s GLY 411 Ca -0.06 0.62 -0.03 0.00 0.00 0.00 0.00 44.72 45.25 3iae s GLY 411 CO 0.79 0.43 0.09 -0.12 0.00 0.00 0.00 173.10 174.29 3iae s PHE 412 N -0.77 0.91 -0.42 1.90 5.36 -1.26 -0.46 117.98 123.24 3iae s PHE 412 Ca -0.09 -1.05 -0.06 0.00 -0.96 0.00 0.00 56.93 54.77 3iae s PHE 412 Cb -0.04 -1.15 0.10 0.00 -0.34 0.00 0.00 43.02 41.59 3iae s PHE 412 CO 0.03 -0.74 0.25 -0.51 -1.46 0.00 0.00 175.22 172.79 3iae s LEU 413 N 1.89 5.28 0.52 6.12 1.43 0.18 -4.47 118.68 129.63 3iae s LEU 413 Ca 0.05 -1.81 0.03 0.00 -1.03 0.00 0.00 54.13 51.37 3iae s LEU 413 Cb -0.17 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.14 3iae s LEU 413 CO -0.22 -0.57 0.17 0.00 0.23 0.00 0.00 176.35 175.96 3iae n HIS 415 N -1.46 2.60 -0.92 0.00 8.25 -1.25 -4.96 115.22 117.48 3iae n HIS 415 Ca -0.12 0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 3iae n HIS 415 Cb 0.66 -2.45 0.00 0.00 1.12 0.00 0.00 29.99 29.32 3iae n HIS 415 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iae n GLY 416 N 0.62 2.16 0.29 -1.41 0.00 -1.26 -4.93 105.19 100.66 3iae n GLY 416 Ca 0.05 -1.87 0.01 0.00 0.00 0.00 0.00 46.02 44.20 3iae n GLY 416 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3iae h TYR 417 N 0.00 0.57 -0.55 1.61 0.05 -1.93 -2.84 116.97 113.88 3iae h TYR 417 Ca 0.00 -0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 3iae h TYR 417 Cb 0.00 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 3iae h TYR 417 CO 0.00 0.50 0.17 1.25 -1.05 0.00 0.00 178.16 179.04 3iae h LEU 418 N 0.56 0.76 -0.69 3.88 7.12 -1.91 -3.47 115.31 121.55 3iae h LEU 418 Ca 0.13 -0.12 -0.46 0.00 0.13 0.00 0.00 57.88 57.56 3iae h LEU 418 Cb 0.22 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 40.12 3iae h LEU 418 CO -0.00 0.71 -0.73 0.61 -0.13 0.00 0.00 178.44 178.90 3iae n GLY 419 N -0.96 -0.50 3.65 3.75 0.00 -1.07 -4.92 105.19 105.13 3iae n GLY 419 Ca 0.04 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3iae n GLY 419 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iae s SER 420 N -3.20 6.85 0.17 1.61 0.15 -1.26 -5.02 113.70 113.00 3iae s SER 420 Ca 0.62 1.06 -0.30 0.00 0.70 0.00 0.00 55.95 58.03 3iae s SER 420 Cb -0.31 -2.44 -0.08 0.00 -1.71 0.00 0.00 66.02 61.47 3iae s SER 420 CO 0.77 -0.52 1.32 -0.04 1.20 0.00 0.00 173.24 175.97 3iae s MET 421 N 2.82 4.37 0.00 5.44 -1.94 -1.26 -3.54 119.30 125.19 3iae s MET 421 Ca 0.35 2.04 0.00 0.00 -1.71 0.00 0.00 55.69 56.37 3iae s MET 421 Cb -0.15 -3.22 0.00 0.00 2.01 0.00 0.00 34.83 33.47 3iae s MET 421 CO 0.07 -0.30 0.00 0.41 -0.01 0.00 0.00 175.02 175.19 3iae n GLY 422 N 2.73 2.19 0.29 -0.03 0.00 -1.25 -4.96 105.19 104.16 3iae n GLY 422 Ca 0.08 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.29 3iae n GLY 422 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3iae h VAL 423 N 0.00 0.00 -0.69 1.61 -1.51 -1.87 -3.29 116.25 110.50 3iae h VAL 423 Ca 0.00 -0.29 -0.02 0.00 -1.23 0.00 0.00 66.70 65.16 3iae h VAL 423 Cb 0.00 1.26 -0.03 0.00 -2.13 0.00 0.00 31.29 30.39 3iae h VAL 423 CO 0.00 0.00 0.34 1.23 -1.23 0.00 0.00 177.57 177.91 3iae h GLY 424 N 1.20 1.04 0.84 5.19 0.00 -1.87 -2.35 103.07 107.13 3iae h GLY 424 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 3iae h GLY 424 CO 0.00 0.47 -0.26 -2.75 0.00 0.00 0.00 176.54 174.00 3iae h PHE 425 N 0.97 -0.67 -0.23 5.60 3.04 -1.93 0.47 116.94 124.19 3iae h PHE 425 Ca 0.24 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.21 3iae h PHE 425 Cb 0.09 0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.79 3iae h PHE 425 CO 0.01 -0.35 0.04 0.78 -2.02 0.00 0.00 178.31 176.77 3iae h GLY 426 N -0.89 0.26 0.03 2.40 0.00 -1.80 -0.31 103.07 102.76 3iae h GLY 426 Ca -0.07 -0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.33 3iae h GLY 426 CO 0.12 -0.01 -0.14 -0.84 0.00 0.00 0.00 176.54 175.67 3iae h THR 427 N 0.14 0.49 -0.21 4.70 2.02 -1.37 -1.51 112.91 117.17 3iae h THR 427 Ca 0.11 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.20 3iae h THR 427 Cb 0.10 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3iae h THR 427 CO -0.14 0.00 -0.26 0.00 0.37 0.00 0.00 175.52 175.49 3iae h ALA 428 N 1.39 1.17 -0.26 6.16 0.00 -0.55 -0.96 119.26 126.21 3iae h ALA 428 Ca 0.22 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3iae h ALA 428 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3iae h ALA 428 CO -0.49 0.53 0.14 1.25 0.00 0.00 0.00 179.25 180.68 3iae h LEU 429 N 0.35 0.32 -0.66 0.00 6.46 -0.33 -1.20 115.31 120.25 3iae h LEU 429 Ca 0.05 -0.09 -0.14 0.00 -0.12 0.00 0.00 57.88 57.58 3iae h LEU 429 Cb 0.65 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 3iae h LEU 429 CO 0.05 0.32 -0.63 1.23 -0.62 0.00 0.00 178.44 178.78 3iae h GLY 430 N 0.30 0.16 1.40 3.75 0.00 -1.16 -3.03 103.07 104.49 3iae h GLY 430 Ca 0.09 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3iae h GLY 430 CO -0.01 0.18 -0.05 0.00 0.00 0.00 0.00 176.54 176.66 3iae h ALA 431 N 1.25 1.11 -0.43 3.60 0.00 -1.02 -2.68 119.26 121.09 3iae h ALA 431 Ca -0.01 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 3iae h ALA 431 Cb 1.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3iae h ALA 431 CO 0.09 0.56 -0.05 0.37 0.00 0.00 0.00 179.25 180.22 3iae h GLN 432 N 0.67 0.72 -0.47 0.00 5.75 -1.11 0.21 115.11 120.87 3iae h GLN 432 Ca 0.13 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 3iae h GLN 432 Cb 0.49 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 3iae h GLN 432 CO 0.03 0.76 0.25 0.28 -2.65 0.00 0.00 178.83 177.50 3iae h VAL 433 N 0.67 1.17 -0.25 2.39 2.07 -1.40 -0.46 116.25 120.44 3iae h VAL 433 Ca 0.13 -0.46 -0.11 0.00 0.82 0.00 0.00 66.70 67.07 3iae h VAL 433 Cb 0.48 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3iae h VAL 433 CO 0.02 0.19 -0.32 0.00 0.02 0.00 0.00 177.57 177.48 3iae h ALA 434 N 1.09 0.97 0.00 1.67 0.00 -1.18 -3.06 119.26 118.75 3iae h ALA 434 Ca 0.16 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3iae h ALA 434 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3iae h ALA 434 CO -0.02 0.61 -0.19 -0.44 0.00 0.00 0.00 179.25 179.20 3iae h ASP 435 N 0.45 0.00 -0.42 0.00 3.32 -0.33 -3.07 116.42 116.38 3iae h ASP 435 Ca 0.05 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.96 3iae h ASP 435 Cb 0.79 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 3iae h ASP 435 CO 0.06 0.19 -0.29 0.25 -1.72 0.00 0.00 179.24 177.73 3iae h LEU 436 N 0.00 0.99 0.00 1.55 5.85 -0.97 0.66 115.31 123.39 3iae h LEU 436 Ca -0.00 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3iae h LEU 436 Cb 0.82 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3iae h LEU 436 CO 0.02 1.20 -0.06 1.05 -0.34 0.00 0.00 178.44 180.32 3iae h GLU 437 N 0.80 0.00 -0.00 1.25 4.11 -1.63 -3.21 114.58 115.90 3iae h GLU 437 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 3iae h GLU 437 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3iae h GLU 437 CO 0.08 0.00 -0.74 0.00 0.07 0.00 0.00 179.01 178.42 3iae n ALA 438 N -1.91 4.16 -2.61 1.06 0.00 -1.04 -4.99 120.51 115.18 3iae n ALA 438 Ca 0.05 -0.54 -0.05 0.00 0.00 0.00 0.00 53.44 52.89 3iae n ALA 438 Cb 0.47 -0.88 0.01 0.00 0.00 0.00 0.00 19.45 19.05 3iae n ALA 438 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iae n GLY 439 N 1.47 0.51 3.46 0.00 0.00 0.44 -5.06 105.19 106.01 3iae n GLY 439 Ca 0.06 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 3iae n GLY 439 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iae s ARG 440 N -5.07 1.65 -0.11 1.61 0.52 0.20 -4.94 118.95 112.81 3iae s ARG 440 Ca 0.11 -1.73 -0.02 0.00 -0.52 0.00 0.00 55.73 53.57 3iae s ARG 440 Cb -0.05 -1.77 -0.03 0.00 0.52 0.00 0.00 34.95 33.62 3iae s ARG 440 CO 0.13 0.34 -0.03 0.50 0.02 0.00 0.00 175.30 176.26 3iae s ARG 441 N -3.37 3.24 -0.17 3.54 6.06 -0.14 -4.27 118.95 123.83 3iae s ARG 441 Ca 0.28 -0.49 -0.08 0.00 -2.50 0.00 0.00 55.73 52.95 3iae s ARG 441 Cb -0.05 -2.80 -0.04 0.00 0.06 0.00 0.00 34.95 32.11 3iae s ARG 441 CO 0.14 0.49 0.10 0.99 -2.50 0.00 0.00 175.30 174.52 3iae s THR 442 N -0.32 5.12 -0.13 4.11 2.01 -1.26 -1.11 115.64 124.07 3iae s THR 442 Ca 0.06 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.15 3iae s THR 442 Cb -0.12 -3.29 0.02 0.00 0.01 0.00 0.00 72.50 69.11 3iae s THR 442 CO 0.02 0.49 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.65 3iae s ILE 443 N 0.03 1.61 -0.24 1.82 1.01 -0.17 -2.68 121.20 122.58 3iae s ILE 443 Ca 0.08 -0.69 -0.12 0.00 0.00 0.00 0.00 60.65 59.92 3iae s ILE 443 Cb -0.12 -1.48 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 3iae s ILE 443 CO 0.00 0.46 0.21 -0.22 0.00 0.00 0.00 174.94 175.39 3iae s LEU 444 N 1.12 4.11 -0.27 2.97 2.96 0.50 -0.61 118.68 129.46 3iae s LEU 444 Ca -0.03 0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 54.01 3iae s LEU 444 Cb -0.14 -2.19 0.01 0.00 0.50 0.00 0.00 46.19 44.37 3iae s LEU 444 CO -0.05 0.03 0.02 -0.69 -1.32 0.00 0.00 176.35 174.34 3iae s VAL 445 N 1.18 3.57 0.12 1.68 1.01 0.10 0.60 120.40 128.67 3iae s VAL 445 Ca 0.10 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 3iae s VAL 445 Cb -0.14 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3iae s VAL 445 CO 0.06 0.16 0.05 0.28 0.00 0.00 0.00 175.10 175.64 3iae s THR 446 N 1.44 0.13 0.58 3.92 -1.32 0.26 -0.85 115.64 119.80 3iae s THR 446 Ca 0.02 -1.90 -0.06 0.00 -1.21 0.00 0.00 61.69 58.53 3iae s THR 446 Cb -0.17 -2.00 -0.00 0.00 -1.51 0.00 0.00 72.50 68.82 3iae s THR 446 CO -0.00 -0.51 0.90 -0.83 -2.21 0.00 0.00 174.62 171.96 3iae s GLY 447 N -3.04 1.59 0.28 6.08 0.00 -1.25 0.07 107.32 111.04 3iae s GLY 447 Ca 0.23 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.33 3iae s GLY 447 CO 0.01 -0.35 1.78 1.29 0.00 0.00 0.00 173.10 175.82 3iae h ASP 448 N -0.14 0.64 0.03 1.64 2.03 -1.83 -2.32 116.42 116.47 3iae h ASP 448 Ca -0.46 -0.16 -0.00 0.00 -0.73 0.00 0.00 57.03 55.68 3iae h ASP 448 Cb 1.24 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.57 3iae h ASP 448 CO 0.61 0.75 -0.02 1.23 -1.03 0.00 0.00 179.24 180.78 3iae h GLY 449 N 0.95 -0.04 1.16 7.15 0.00 -1.90 -3.33 103.07 107.05 3iae h GLY 449 Ca 0.12 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 3iae h GLY 449 CO 0.02 -0.02 0.39 1.76 0.00 0.00 0.00 176.54 178.69 3iae h SER 450 N -0.47 0.98 0.04 0.19 0.02 -1.92 -2.85 113.55 109.54 3iae h SER 450 Ca -0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3iae h SER 450 Cb 0.44 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 3iae h SER 450 CO 0.01 0.82 -0.04 1.62 -1.14 0.00 0.00 176.83 178.09 3iae h VAL 451 N 1.08 1.02 0.00 2.27 3.04 -1.53 -2.67 116.25 119.46 3iae h VAL 451 Ca 0.27 -0.14 -0.03 0.00 -1.01 0.00 0.00 66.70 65.79 3iae h VAL 451 Cb 0.08 1.08 -0.00 0.00 -2.01 0.00 0.00 31.29 30.43 3iae h VAL 451 CO -0.04 0.04 -0.12 1.23 -1.01 0.00 0.00 177.57 177.67 3iae h GLY 452 N 0.12 0.00 0.75 3.17 0.00 -1.61 -1.91 103.07 103.59 3iae h GLY 452 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3iae h GLY 452 CO 0.01 0.00 0.64 -0.97 0.00 0.00 0.00 176.54 176.22 3iae h TYR 453 N 0.00 1.19 -0.00 5.60 -1.99 -1.63 -3.29 116.97 116.85 3iae h TYR 453 Ca -0.00 0.03 -0.12 0.00 2.00 0.00 0.00 58.73 60.64 3iae h TYR 453 Cb 0.31 -0.39 -0.26 0.00 2.00 0.00 0.00 36.73 38.39 3iae h TYR 453 CO 0.00 0.61 -0.87 0.43 -0.00 0.00 0.00 178.16 178.34 3iae n SER 454 N -4.50 1.24 0.32 3.88 7.64 -1.10 -4.88 113.62 116.22 3iae n SER 454 Ca 0.15 -2.62 0.20 0.00 1.01 0.00 0.00 58.87 57.61 3iae n SER 454 Cb 0.19 -0.38 1.10 0.00 -1.01 0.00 0.00 64.21 64.12 3iae n SER 454 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3iae h ILE 455 N 5.04 0.19 0.00 0.44 2.10 -1.42 -0.56 117.51 123.30 3iae h ILE 455 Ca -0.15 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.79 3iae h ILE 455 Cb 1.60 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 38.32 3iae h ILE 455 CO 0.07 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.75 3iae n GLY 456 N -1.17 -0.90 0.00 8.18 0.00 -1.26 -3.10 105.19 106.93 3iae n GLY 456 Ca -0.03 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.04 3iae n GLY 456 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iae n GLU 457 N -1.31 0.17 0.02 1.61 -0.58 -0.22 -2.62 120.64 117.72 3iae n GLU 457 Ca 0.08 0.04 0.04 0.00 -0.42 0.00 0.00 57.16 56.90 3iae n GLU 457 Cb 0.15 -1.50 0.44 0.00 -0.57 0.00 0.00 31.44 29.95 3iae n GLU 457 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 3iae h PHE 458 N 0.00 0.47 -0.35 -0.32 -1.00 -1.77 -0.99 116.94 112.98 3iae h PHE 458 Ca 0.00 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.79 3iae h PHE 458 Cb 0.36 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 3iae h PHE 458 CO 0.00 0.31 0.23 0.22 -1.61 0.00 0.00 178.31 177.46 3iae h ASP 459 N 0.50 0.41 -0.67 2.17 3.58 -1.76 -1.72 116.42 118.93 3iae h ASP 459 Ca 0.13 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 3iae h ASP 459 Cb -0.03 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 3iae h ASP 459 CO -0.03 0.30 0.25 0.74 -2.88 0.00 0.00 179.24 177.62 3iae h THR 460 N 0.47 1.25 -0.87 2.25 2.02 -1.55 0.19 112.91 116.68 3iae h THR 460 Ca 0.13 -0.79 0.08 0.00 0.77 0.00 0.00 66.41 66.59 3iae h THR 460 Cb -0.04 0.51 -0.07 0.00 -1.74 0.00 0.00 68.15 66.80 3iae h THR 460 CO -0.03 0.31 0.52 -0.07 0.37 0.00 0.00 175.52 176.63 3iae h LEU 461 N 0.96 0.79 0.03 2.58 4.07 -1.03 -0.61 115.31 122.10 3iae h LEU 461 Ca 0.22 0.03 -0.16 0.00 0.08 0.00 0.00 57.88 58.06 3iae h LEU 461 Cb 0.24 -0.13 0.01 0.00 1.08 0.00 0.00 40.66 41.86 3iae h LEU 461 CO -0.01 0.48 -0.63 0.58 -1.08 0.00 0.00 178.44 177.78 3iae h VAL 462 N 0.92 1.46 -0.63 1.22 2.07 -0.87 0.12 116.25 120.54 3iae h VAL 462 Ca 0.40 -2.18 -0.02 0.00 0.82 0.00 0.00 66.70 65.72 3iae h VAL 462 Cb 0.27 2.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 3iae h VAL 462 CO -0.21 0.63 0.33 0.03 0.02 0.00 0.00 177.57 178.37 3iae h ARG 463 N -0.20 0.89 -0.02 1.57 3.08 -0.53 -2.91 114.38 116.27 3iae h ARG 463 Ca -0.09 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3iae h ARG 463 Cb 1.37 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3iae h ARG 463 CO 0.12 0.69 -0.04 1.63 -1.07 0.00 0.00 179.97 181.31 3iae n LYS 464 N -4.53 1.82 -3.65 0.04 4.76 -0.25 -4.97 118.16 111.39 3iae n LYS 464 Ca 0.04 -1.27 -0.22 0.00 -2.87 0.00 0.00 58.31 54.00 3iae n LYS 464 Cb 0.10 -1.47 0.05 0.00 -1.84 0.00 0.00 35.03 31.87 3iae n LYS 464 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3iae n GLN 465 N 0.52 -5.83 -3.33 1.97 6.02 -0.67 -4.98 117.38 111.07 3iae n GLN 465 Ca 0.16 0.70 -0.40 0.00 -0.01 0.00 0.00 57.00 57.46 3iae n GLN 465 Cb 0.44 -5.50 -0.09 0.00 1.02 0.00 0.00 30.24 26.12 3iae n GLN 465 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3iae s LEU 466 N -6.75 4.20 -0.05 1.08 1.43 0.35 -4.96 118.68 113.97 3iae s LEU 466 Ca 0.17 0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 53.40 3iae s LEU 466 Cb -0.08 -2.49 0.04 0.00 0.03 0.00 0.00 46.19 43.69 3iae s LEU 466 CO 0.78 -0.31 1.98 -0.81 0.23 0.00 0.00 176.35 178.22 3iae n PRO 467 N 5.49 1.13 -2.01 1.29 -0.04 -1.26 -3.97 135.00 135.62 3iae n PRO 467 Ca -0.07 -0.25 -0.42 0.00 -0.04 0.00 0.00 63.50 62.72 3iae n PRO 467 Cb 0.50 -1.10 -0.03 0.00 -0.04 0.00 0.00 33.50 32.83 3iae n PRO 467 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3iae s LEU 468 N -0.29 4.38 -0.32 1.53 2.96 -1.26 -4.52 118.68 121.15 3iae s LEU 468 Ca 0.05 2.57 -0.14 0.00 -0.22 0.00 0.00 54.13 56.39 3iae s LEU 468 Cb 0.04 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 3iae s LEU 468 CO -0.00 -0.74 0.32 -0.63 -1.32 0.00 0.00 176.35 173.97 3iae s ILE 469 N 0.75 5.21 -0.39 6.68 1.01 -1.09 -1.60 121.20 131.77 3iae s ILE 469 Ca 0.65 0.11 -0.14 0.00 0.00 0.00 0.00 60.65 61.27 3iae s ILE 469 Cb -0.42 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.33 3iae s ILE 469 CO 0.35 0.01 0.27 -0.69 0.00 0.00 0.00 174.94 174.88 3iae s VAL 470 N 1.94 5.17 -0.28 2.92 1.01 0.64 -0.37 120.40 131.43 3iae s VAL 470 Ca 0.11 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 3iae s VAL 470 Cb -0.16 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3iae s VAL 470 CO 0.11 -0.22 0.16 -0.63 0.00 0.00 0.00 175.10 174.53 3iae s ILE 471 N 1.67 4.96 -0.34 2.22 1.01 0.20 -0.09 121.20 130.84 3iae s ILE 471 Ca 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.56 3iae s ILE 471 Cb -0.19 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 38.90 3iae s ILE 471 CO 0.10 0.21 0.16 -0.63 0.00 0.00 0.00 174.94 174.78 3iae s ILE 472 N 1.70 4.42 -0.82 2.92 1.01 0.16 -0.57 121.20 130.02 3iae s ILE 472 Ca 0.06 -0.70 -0.25 0.00 0.00 0.00 0.00 60.65 59.76 3iae s ILE 472 Cb -0.16 -3.37 0.04 0.00 0.01 0.00 0.00 42.46 38.98 3iae s ILE 472 CO 0.08 -0.08 1.30 -0.04 0.00 0.00 0.00 174.94 176.21 3iae s MET 473 N 1.55 3.31 -0.63 2.79 -1.94 0.11 -0.23 119.30 124.26 3iae s MET 473 Ca 0.03 -0.58 -0.19 0.00 -1.71 0.00 0.00 55.69 53.24 3iae s MET 473 Cb -0.18 -4.53 0.11 0.00 2.01 0.00 0.00 34.83 32.23 3iae s MET 473 CO 0.06 -2.13 0.74 1.21 -0.01 0.00 0.00 175.02 174.89 3iae s ASN 474 N 4.08 6.23 -0.22 3.03 3.84 0.17 -3.00 114.94 129.07 3iae s ASN 474 Ca 0.37 -1.51 0.15 0.00 0.21 0.00 0.00 52.86 52.08 3iae s ASN 474 Cb -0.06 -2.31 0.69 0.00 -0.55 0.00 0.00 41.25 39.02 3iae s ASN 474 CO 0.07 -1.11 1.62 -0.46 -2.79 0.00 0.00 177.10 174.43 3iae n ASN 475 N 6.30 4.83 -4.14 -4.21 0.23 -1.26 -0.41 115.26 116.61 3iae n ASN 475 Ca -0.06 -3.02 -0.34 0.00 -0.53 0.00 0.00 54.58 50.62 3iae n ASN 475 Cb 0.43 -0.64 -0.01 0.00 -2.08 0.00 0.00 39.78 37.48 3iae n ASN 475 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3iae n GLN 476 N 0.03 -3.79 -3.57 -3.83 6.02 -1.26 -4.80 117.38 106.18 3iae n GLN 476 Ca 0.27 0.43 -0.06 0.00 -0.01 0.00 0.00 57.00 57.63 3iae n GLN 476 Cb 1.09 -5.19 -0.02 0.00 1.02 0.00 0.00 30.24 27.15 3iae n GLN 476 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3iae s SER 477 N -3.33 -0.23 -1.00 1.08 1.04 -1.26 -0.60 113.70 109.40 3iae s SER 477 Ca 0.70 -0.04 -0.23 0.00 0.48 0.00 0.00 55.95 56.86 3iae s SER 477 Cb -0.38 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.03 3iae s SER 477 CO 0.90 -0.45 1.65 0.26 0.98 0.00 0.00 173.24 176.58 3iae s TRP 478 N -2.78 2.28 0.06 5.02 0.52 0.21 -4.40 118.94 119.84 3iae s TRP 478 Ca 0.08 -0.34 -0.32 0.00 0.02 0.00 0.00 56.10 55.54 3iae s TRP 478 Cb -0.01 -4.46 -0.16 0.00 -1.15 0.00 0.00 33.47 27.69 3iae s TRP 478 CO -0.06 -1.84 1.48 0.78 0.02 0.00 0.00 176.95 177.33 3iae h GLY 479 N 14.66 -1.20 1.12 0.98 0.00 -1.93 -2.09 103.07 114.60 3iae h GLY 479 Ca 0.18 0.50 0.01 0.00 0.00 0.00 0.00 47.33 48.02 3iae h GLY 479 CO 1.35 -0.40 0.58 0.00 0.00 0.00 0.00 176.54 178.07 3iae h ALA 480 N -1.26 1.38 -0.23 3.60 0.00 -1.93 -1.02 119.26 119.81 3iae h ALA 480 Ca -0.09 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3iae h ALA 480 Cb 0.83 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3iae h ALA 480 CO 0.08 0.57 -0.27 1.79 0.00 0.00 0.00 179.25 181.41 3iae h THR 481 N 1.18 1.27 -0.54 0.00 1.35 -1.96 -0.65 112.91 113.56 3iae h THR 481 Ca 0.33 -1.28 -0.12 0.00 -0.55 0.00 0.00 66.41 64.79 3iae h THR 481 Cb -0.12 1.39 -0.02 0.00 -1.73 0.00 0.00 68.15 67.68 3iae h THR 481 CO -0.08 0.40 -0.12 0.25 -0.25 0.00 0.00 175.52 175.73 3iae h LEU 482 N 0.39 1.04 -0.68 3.87 6.46 -0.61 -2.22 115.31 123.56 3iae h LEU 482 Ca 0.06 -0.36 -0.00 0.00 -0.12 0.00 0.00 57.88 57.46 3iae h LEU 482 Cb 0.68 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.29 3iae h LEU 482 CO 0.05 1.15 0.42 0.45 -0.62 0.00 0.00 178.44 179.89 3iae h HIS 483 N 0.91 0.90 -0.58 1.25 3.86 -0.91 -1.63 115.15 118.95 3iae h HIS 483 Ca 0.14 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.40 3iae h HIS 483 Cb 0.69 -0.30 -0.05 0.00 1.06 0.00 0.00 27.41 28.82 3iae h HIS 483 CO 0.05 0.60 0.32 0.35 0.86 0.00 0.00 177.93 180.10 3iae h PHE 484 N 0.93 0.58 -0.73 2.45 3.04 -0.95 0.19 116.94 122.45 3iae h PHE 484 Ca 0.25 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.19 3iae h PHE 484 Cb -0.04 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.26 3iae h PHE 484 CO -0.02 0.29 0.33 1.96 -2.02 0.00 0.00 178.31 178.86 3iae h GLN 485 N 0.60 1.06 -0.18 1.11 4.20 -1.12 0.54 115.11 121.34 3iae h GLN 485 Ca 0.25 -0.17 -0.15 0.00 0.06 0.00 0.00 58.65 58.65 3iae h GLN 485 Cb 0.13 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3iae h GLN 485 CO -0.15 0.85 -0.47 1.96 -0.67 0.00 0.00 178.83 180.34 3iae h GLN 486 N 1.03 0.63 0.15 1.46 4.20 -0.84 0.12 115.11 121.87 3iae h GLN 486 Ca 0.25 -0.44 -0.23 0.00 0.06 0.00 0.00 58.65 58.29 3iae h GLN 486 Cb 0.15 0.07 0.03 0.00 0.30 0.00 0.00 27.48 28.02 3iae h GLN 486 CO -0.03 1.06 -0.99 -0.07 -0.67 0.00 0.00 178.83 178.13 3iae h LEU 487 N 0.30 0.60 0.00 1.46 -0.00 -0.61 -3.19 115.31 113.87 3iae h LEU 487 Ca -0.01 -0.92 0.00 0.00 -0.00 0.00 0.00 57.88 56.96 3iae h LEU 487 Cb 1.08 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.55 3iae h LEU 487 CO 0.10 1.47 -1.33 0.00 -0.00 0.00 0.00 178.44 178.68 3iae n ALA 488 N -2.67 2.73 0.01 1.53 0.00 0.18 -4.71 120.51 117.58 3iae n ALA 488 Ca -0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 53.44 52.94 3iae n ALA 488 Cb 0.89 -0.97 -0.00 0.00 0.00 0.00 0.00 19.45 19.37 3iae n ALA 488 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iae n VAL 489 N -2.44 0.44 0.00 0.00 0.31 -0.92 -5.04 118.33 110.68 3iae n VAL 489 Ca -0.01 0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 3iae n VAL 489 Cb 0.54 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 3iae n VAL 489 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iae n GLY 490 N 3.11 3.35 0.34 2.92 0.00 0.39 -4.97 105.19 110.33 3iae n GLY 490 Ca -0.01 -0.90 -0.00 0.00 0.00 0.00 0.00 46.02 45.11 3iae n GLY 490 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iae h PRO 491 N 0.00 0.95 -0.88 1.61 0.13 -1.82 -2.48 132.00 129.51 3iae h PRO 491 Ca 0.00 -0.09 -0.27 0.00 -0.87 0.00 0.00 66.00 64.77 3iae h PRO 491 Cb 0.00 -0.20 -0.16 0.00 0.13 0.00 0.00 31.00 30.78 3iae h PRO 491 CO 0.00 0.68 0.34 0.27 -0.23 0.00 0.00 178.00 179.06 3iae n ASN 492 N -4.38 4.03 -0.61 1.44 2.04 -1.26 -4.40 115.26 112.12 3iae n ASN 492 Ca 0.07 -3.09 0.05 0.00 -0.44 0.00 0.00 54.58 51.17 3iae n ASN 492 Cb 0.09 -0.73 0.19 0.00 -2.53 0.00 0.00 39.78 36.80 3iae n ASN 492 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3iae n ARG 493 N -0.35 1.73 -2.92 -3.83 5.12 -0.93 -5.01 116.66 110.47 3iae n ARG 493 Ca 0.39 -3.01 -0.41 0.00 -1.93 0.00 0.00 57.85 52.89 3iae n ARG 493 Cb 1.29 -1.66 -0.04 0.00 -1.16 0.00 0.00 32.46 30.89 3iae n ARG 493 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3iae s VAL 494 N -3.09 4.95 -0.15 1.55 -7.23 -1.26 -4.84 120.40 110.33 3iae s VAL 494 Ca 0.38 1.64 -0.08 0.00 -1.81 0.00 0.00 61.98 62.11 3iae s VAL 494 Cb 0.35 -4.13 0.05 0.00 0.56 0.00 0.00 36.38 33.21 3iae s VAL 494 CO -0.01 0.14 0.36 -0.89 -0.31 0.00 0.00 175.10 174.40 3iae s THR 495 N 1.39 -0.03 -1.41 5.32 2.01 -1.26 -4.92 115.64 116.74 3iae s THR 495 Ca 0.41 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.51 3iae s THR 495 Cb -0.18 -0.54 0.00 0.00 0.01 0.00 0.00 72.50 71.79 3iae s THR 495 CO 0.18 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 3iae n GLY 496 N 4.13 1.39 0.00 4.40 0.00 -1.26 -4.85 105.19 108.99 3iae n GLY 496 Ca -0.23 -0.40 0.01 0.00 0.00 0.00 0.00 46.02 45.39 3iae n GLY 496 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iae n THR 497 N -2.63 0.00 -3.39 2.61 -2.24 -1.26 -4.94 114.28 102.43 3iae n THR 497 Ca -0.13 -0.47 -0.38 0.00 -2.27 0.00 0.00 64.05 60.79 3iae n THR 497 Cb 0.44 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.61 3iae n THR 497 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3iae s ARG 498 N -1.09 4.05 -0.45 -0.78 0.52 -1.26 0.63 118.95 120.57 3iae s ARG 498 Ca 0.00 0.57 0.09 0.00 -0.52 0.00 0.00 55.73 55.87 3iae s ARG 498 Cb 0.01 -3.22 0.31 0.00 0.52 0.00 0.00 34.95 32.57 3iae s ARG 498 CO 0.05 0.66 0.72 1.28 0.02 0.00 0.00 175.30 178.03 3iae n LEU 499 N 1.72 1.81 -2.36 2.53 4.77 0.23 -4.82 117.00 120.87 3iae n LEU 499 Ca -0.12 -5.13 -0.23 0.00 -0.03 0.00 0.00 56.01 50.51 3iae n LEU 499 Cb 0.52 0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.76 3iae n LEU 499 CO 0.39 2.22 1.60 -0.62 -1.33 0.00 0.00 177.39 179.65 3iae n GLU 500 N 0.54 2.30 -3.60 3.23 1.02 -1.22 -4.12 120.64 118.80 3iae n GLU 500 Ca 0.26 -1.98 -0.16 0.00 -0.02 0.00 0.00 57.16 55.26 3iae n GLU 500 Cb 0.54 -2.11 -0.07 0.00 -0.02 0.00 0.00 31.44 29.78 3iae n GLU 500 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3iae s ASN 501 N 0.80 -0.62 0.00 1.62 2.47 -1.26 -5.16 114.94 112.79 3iae s ASN 501 Ca 0.61 0.90 0.00 0.00 0.42 0.00 0.00 52.86 54.79 3iae s ASN 501 Cb 0.37 0.83 0.00 0.00 -1.45 0.00 0.00 41.25 41.00 3iae s ASN 501 CO -0.16 -0.44 0.00 0.61 -3.72 0.00 0.00 177.10 173.38 3iae n GLY 502 N 1.66 2.09 3.37 1.21 0.00 -1.26 -4.99 105.19 107.27 3iae n GLY 502 Ca -0.17 -1.32 -0.45 0.00 0.00 0.00 0.00 46.02 44.08 3iae n GLY 502 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iae s SER 503 N 0.00 6.34 0.30 1.61 0.15 -1.26 -4.92 113.70 115.91 3iae s SER 503 Ca 0.00 -1.76 0.06 0.00 0.70 0.00 0.00 55.95 54.94 3iae s SER 503 Cb 0.00 -2.29 0.46 0.00 -1.71 0.00 0.00 66.02 62.48 3iae s SER 503 CO 0.00 -0.99 1.71 1.88 1.20 0.00 0.00 173.24 177.05 3iae h TYR 504 N 8.87 0.34 -0.00 3.44 0.05 -1.99 -1.60 116.97 126.08 3iae h TYR 504 Ca -0.17 -0.08 -0.08 0.00 0.05 0.00 0.00 58.73 58.44 3iae h TYR 504 Cb 1.07 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.72 3iae h TYR 504 CO 0.90 0.62 -0.39 1.12 -1.05 0.00 0.00 178.16 179.36 3iae h HIS 505 N 0.25 0.01 -0.34 4.88 2.07 -1.90 -2.13 115.15 117.99 3iae h HIS 505 Ca 0.03 -0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.40 3iae h HIS 505 Cb 0.76 -0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.73 3iae h HIS 505 CO 0.02 0.40 -0.38 0.78 -3.07 0.00 0.00 177.93 175.68 3iae h GLY 506 N 1.17 0.89 0.90 6.13 0.00 -1.74 -2.40 103.07 108.01 3iae h GLY 506 Ca -0.00 -0.89 -0.00 0.00 0.00 0.00 0.00 47.33 46.44 3iae h GLY 506 CO 0.05 0.80 0.03 -2.08 0.00 0.00 0.00 176.54 175.35 3iae h VAL 507 N 0.67 1.11 -0.90 4.60 2.07 -1.03 -1.85 116.25 120.93 3iae h VAL 507 Ca 0.06 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.28 3iae h VAL 507 Cb 0.94 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 3iae h VAL 507 CO 0.09 0.09 0.59 0.00 0.02 0.00 0.00 177.57 178.36 3iae h ALA 508 N 0.91 1.14 -0.52 1.67 0.00 -1.42 -2.31 119.26 118.73 3iae h ALA 508 Ca 0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3iae h ALA 508 Cb 0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3iae h ALA 508 CO -0.00 0.53 0.09 0.00 0.00 0.00 0.00 179.25 179.87 3iae h ALA 509 N 1.33 1.19 0.00 0.00 0.00 -1.32 0.21 119.26 120.67 3iae h ALA 509 Ca 0.33 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3iae h ALA 509 Cb -0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3iae h ALA 509 CO -0.07 0.55 -0.18 0.00 0.00 0.00 0.00 179.25 179.54 3iae h ALA 510 N 1.33 1.48 -0.00 0.00 0.00 -0.80 -0.80 119.26 120.47 3iae h ALA 510 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iae h ALA 510 Cb 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3iae h ALA 510 CO 0.00 0.23 -0.23 1.19 0.00 0.00 0.00 179.25 180.44 3iae n PHE 511 N -4.01 0.00 0.00 0.00 3.72 -0.84 -4.95 117.46 111.38 3iae n PHE 511 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3iae n PHE 511 Cb 0.27 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 3iae n PHE 511 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iae n GLY 512 N 1.38 0.70 3.88 1.37 0.00 -0.30 -4.63 105.19 107.58 3iae n GLY 512 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3iae n GLY 512 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iae s ALA 513 N -2.00 3.34 0.06 4.61 0.00 -0.00 -4.94 121.76 122.82 3iae s ALA 513 Ca 0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 51.96 51.42 3iae s ALA 513 Cb 0.00 -2.71 -0.07 0.00 0.00 0.00 0.00 23.12 20.35 3iae s ALA 513 CO 0.00 -0.09 1.38 -0.51 0.00 0.00 0.00 175.76 176.54 3iae s ASP 514 N -3.34 6.86 -0.21 0.00 -0.00 -1.07 -3.32 116.67 115.60 3iae s ASP 514 Ca 0.51 2.20 0.00 0.00 -0.00 0.00 0.00 52.55 55.26 3iae s ASP 514 Cb -0.10 -2.57 0.02 0.00 -0.00 0.00 0.00 42.92 40.27 3iae s ASP 514 CO 0.34 -0.67 -0.15 -0.83 -0.00 0.00 0.00 175.17 173.87 3iae s GLY 515 N 1.47 1.49 0.01 0.21 0.00 -1.26 0.17 107.32 109.40 3iae s GLY 515 Ca 0.64 -1.33 0.04 0.00 0.00 0.00 0.00 44.72 44.07 3iae s GLY 515 CO 0.29 0.38 -0.09 -0.19 0.00 0.00 0.00 173.10 173.48 3iae s TYR 516 N 1.29 2.81 -0.11 1.90 2.02 0.12 -4.98 117.35 120.40 3iae s TYR 516 Ca 0.02 -0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.64 3iae s TYR 516 Cb -0.15 -1.58 0.02 0.00 -0.40 0.00 0.00 41.96 39.86 3iae s TYR 516 CO -0.09 0.34 -0.11 -3.38 -1.57 0.00 0.00 175.55 170.73 3iae s HIS 517 N -0.97 1.69 0.12 2.71 -3.43 -1.26 -0.35 115.29 113.80 3iae s HIS 517 Ca 0.16 -0.83 0.02 0.00 -0.80 0.00 0.00 55.06 53.62 3iae s HIS 517 Cb -0.11 -1.31 -0.04 0.00 -1.43 0.00 0.00 32.58 29.69 3iae s HIS 517 CO 0.07 -0.50 -0.07 0.14 -2.00 0.00 0.00 174.74 172.39 3iae s VAL 518 N 1.36 0.80 0.00 -5.38 -7.23 -0.10 -4.98 120.40 104.87 3iae s VAL 518 Ca -0.00 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 3iae s VAL 518 Cb -0.14 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 35.03 3iae s VAL 518 CO -0.06 -0.79 0.33 -0.90 -0.31 0.00 0.00 175.10 173.37 3iae n ASP 519 N -0.11 0.00 -4.07 4.85 3.85 -1.26 -0.90 116.55 118.91 3iae n ASP 519 Ca -0.11 -1.03 -0.10 0.00 -0.71 0.00 0.00 54.79 52.84 3iae n ASP 519 Cb 0.61 -0.01 -0.08 0.00 -1.35 0.00 0.00 41.12 40.30 3iae n ASP 519 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3iae s SER 520 N -0.03 0.05 0.12 -1.12 1.04 -1.26 -4.07 113.70 108.42 3iae s SER 520 Ca 0.00 -1.09 -0.20 0.00 0.48 0.00 0.00 55.95 55.14 3iae s SER 520 Cb 0.00 0.46 -0.07 0.00 0.10 0.00 0.00 66.02 66.51 3iae s SER 520 CO 0.00 -0.95 1.75 0.58 0.98 0.00 0.00 173.24 175.60 3iae h VAL 521 N 2.48 0.98 -0.31 5.02 2.07 -1.97 -1.42 116.25 123.10 3iae h VAL 521 Ca -0.31 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3iae h VAL 521 Cb 1.24 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3iae h VAL 521 CO 0.46 0.03 0.15 -0.08 0.02 0.00 0.00 177.57 178.14 3iae h GLU 522 N 0.15 0.45 -0.36 1.57 4.81 -1.99 -0.87 114.58 118.34 3iae h GLU 522 Ca 0.06 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 3iae h GLU 522 Cb 0.03 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 3iae h GLU 522 CO -0.06 0.42 -0.43 0.66 -0.73 0.00 0.00 179.01 178.87 3iae h SER 523 N 0.36 1.00 -0.46 1.04 4.64 -1.96 -2.49 113.55 115.68 3iae h SER 523 Ca 0.11 -0.49 -0.09 0.00 -0.47 0.00 0.00 61.79 60.85 3iae h SER 523 Cb 0.12 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 3iae h SER 523 CO -0.01 1.28 -0.05 0.15 -0.87 0.00 0.00 176.83 177.33 3iae h PHE 524 N 0.73 0.94 -0.54 4.77 3.57 -1.21 -1.61 116.94 123.59 3iae h PHE 524 Ca 0.05 -0.18 0.06 0.00 3.53 0.00 0.00 57.97 61.42 3iae h PHE 524 Cb 1.03 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 3iae h PHE 524 CO 0.07 0.91 0.26 0.77 -2.23 0.00 0.00 178.31 178.09 3iae h SER 525 N 0.69 0.35 -0.36 0.41 0.02 -1.15 -1.00 113.55 112.52 3iae h SER 525 Ca 0.12 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3iae h SER 525 Cb 0.58 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 3iae h SER 525 CO 0.03 0.24 0.12 0.00 -1.14 0.00 0.00 176.83 176.08 3iae h ALA 526 N 1.31 0.47 -0.40 3.77 0.00 -1.30 -1.46 119.26 121.65 3iae h ALA 526 Ca 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3iae h ALA 526 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3iae h ALA 526 CO -0.19 0.09 0.11 0.00 0.00 0.00 0.00 179.25 179.27 3iae h ALA 527 N 0.96 0.52 -0.50 0.00 0.00 -1.06 -1.38 119.26 117.79 3iae h ALA 527 Ca 0.12 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3iae h ALA 527 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3iae h ALA 527 CO -0.01 0.18 -0.07 1.25 0.00 0.00 0.00 179.25 180.60 3iae h LEU 528 N 0.50 0.89 -0.57 0.00 5.85 -1.18 -1.37 115.31 119.42 3iae h LEU 528 Ca 0.13 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 3iae h LEU 528 Cb 0.28 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3iae h LEU 528 CO -0.00 0.99 0.15 0.00 -0.34 0.00 0.00 178.44 179.23 3iae h ALA 529 N 1.10 0.75 -0.41 1.25 0.00 -1.11 -1.49 119.26 119.35 3iae h ALA 529 Ca 0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3iae h ALA 529 Cb 0.58 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3iae h ALA 529 CO 0.04 0.45 0.08 1.96 0.00 0.00 0.00 179.25 181.77 3iae h GLN 530 N 0.81 0.67 -0.72 0.00 4.20 -1.14 -2.33 115.11 116.60 3iae h GLN 530 Ca 0.18 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 3iae h GLN 530 Cb 0.33 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3iae h GLN 530 CO 0.00 0.70 0.21 0.00 -0.67 0.00 0.00 178.83 179.08 3iae h ALA 531 N 0.94 1.01 0.00 3.87 0.00 -1.15 -2.25 119.26 121.69 3iae h ALA 531 Ca 0.13 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3iae h ALA 531 Cb 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3iae h ALA 531 CO 0.00 0.66 -0.28 -0.07 0.00 0.00 0.00 179.25 179.57 3iae h LEU 532 N 1.08 0.00 -0.45 0.00 4.07 -1.23 -2.97 115.31 115.81 3iae h LEU 532 Ca 0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.19 3iae h LEU 532 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 3iae h LEU 532 CO -0.01 0.28 0.00 0.00 -1.08 0.00 0.00 178.44 177.63 3iae h ALA 533 N 1.72 1.00 -2.88 1.53 0.00 -0.84 -3.45 119.26 116.35 3iae h ALA 533 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 3iae h ALA 533 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3iae h ALA 533 CO 0.04 0.00 -0.54 -1.01 0.00 0.00 0.00 179.25 177.74 3iae s HIS 534 N -3.34 3.33 -1.10 0.00 3.76 -1.06 -5.03 115.29 111.85 3iae s HIS 534 Ca 0.05 0.11 -0.03 0.00 -0.15 0.00 0.00 55.06 55.05 3iae s HIS 534 Cb 0.07 -1.64 0.24 0.00 1.11 0.00 0.00 32.58 32.35 3iae s HIS 534 CO 0.62 0.54 2.09 -1.71 -0.85 0.00 0.00 174.74 175.43 3iae n ASN 535 N 0.03 7.59 -3.95 1.40 5.15 -1.26 -4.95 115.26 119.27 3iae n ASN 535 Ca -0.07 -3.48 -0.10 0.00 -0.60 0.00 0.00 54.58 50.33 3iae n ASN 535 Cb 0.53 -1.23 -0.12 0.00 -0.53 0.00 0.00 39.78 38.42 3iae n ASN 535 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3iae s ARG 536 N -3.06 0.24 0.46 1.20 0.52 -1.26 -4.84 118.95 112.21 3iae s ARG 536 Ca 0.46 -0.46 -0.24 0.00 -0.52 0.00 0.00 55.73 54.97 3iae s ARG 536 Cb 0.21 0.09 -0.07 0.00 0.52 0.00 0.00 34.95 35.70 3iae s ARG 536 CO -0.14 -0.04 1.29 -1.25 0.02 0.00 0.00 175.30 175.18 3iae s PRO 537 N -1.10 3.70 0.03 3.54 0.04 -1.25 -4.54 135.00 135.41 3iae s PRO 537 Ca -0.12 2.11 -0.05 0.00 0.04 0.00 0.00 61.00 62.97 3iae s PRO 537 Cb -0.08 -2.55 -0.01 0.00 0.04 0.00 0.00 34.50 31.91 3iae s PRO 537 CO -0.01 -0.70 0.09 0.00 0.04 0.00 0.00 177.00 176.43 3iae s ALA 538 N -1.33 -0.08 -0.11 8.56 0.00 -0.63 -2.59 121.76 125.58 3iae s ALA 538 Ca 0.62 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 52.06 3iae s ALA 538 Cb -0.37 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.01 3iae s ALA 538 CO 0.46 -0.30 -0.07 0.00 0.00 0.00 0.00 175.76 175.85 3iae s ILE 540 N 1.74 3.29 -0.50 0.00 1.01 0.87 0.15 121.20 127.75 3iae s ILE 540 Ca 0.05 -1.92 -0.27 0.00 0.00 0.00 0.00 60.65 58.51 3iae s ILE 540 Cb -0.13 -3.19 0.03 0.00 0.01 0.00 0.00 42.46 39.18 3iae s ILE 540 CO -0.08 -0.59 1.04 0.21 0.00 0.00 0.00 174.94 175.52 3iae s ASN 541 N 1.74 6.51 -0.36 3.58 3.04 0.53 -0.67 114.94 129.31 3iae s ASN 541 Ca 0.06 0.17 -0.09 0.00 0.04 0.00 0.00 52.86 53.04 3iae s ASN 541 Cb -0.22 -2.50 0.04 0.00 -1.54 0.00 0.00 41.25 37.03 3iae s ASN 541 CO -0.03 -1.21 0.17 -0.69 -3.04 0.00 0.00 177.10 172.29 3iae s VAL 542 N 4.21 4.18 -0.17 -5.21 1.01 0.68 -0.93 120.40 124.17 3iae s VAL 542 Ca 0.41 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 3iae s VAL 542 Cb -0.09 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3iae s VAL 542 CO 0.27 -0.24 1.67 0.00 0.00 0.00 0.00 175.10 176.81 3iae s ALA 543 N 1.47 3.35 0.11 5.51 0.00 -0.08 0.46 121.76 132.57 3iae s ALA 543 Ca 0.00 0.65 0.07 0.00 0.00 0.00 0.00 51.96 52.68 3iae s ALA 543 Cb -0.20 -3.83 -0.04 0.00 0.00 0.00 0.00 23.12 19.05 3iae s ALA 543 CO 0.04 -1.83 -0.19 0.54 0.00 0.00 0.00 175.76 174.33 3iae s VAL 544 N 5.04 1.59 0.38 0.00 0.11 0.45 -4.40 120.40 123.58 3iae s VAL 544 Ca 0.74 -1.59 -0.26 0.00 -2.93 0.00 0.00 61.98 57.94 3iae s VAL 544 Cb -0.28 -1.52 -0.09 0.00 -1.53 0.00 0.00 36.38 32.95 3iae s VAL 544 CO 0.30 -0.17 1.25 0.00 -3.33 0.00 0.00 175.10 173.15 3iae s ALA 545 N -1.45 3.27 -0.18 1.54 0.00 0.29 -4.14 121.76 121.10 3iae s ALA 545 Ca 0.07 1.14 0.01 0.00 0.00 0.00 0.00 51.96 53.18 3iae s ALA 545 Cb -0.09 -3.44 -0.22 0.00 0.00 0.00 0.00 23.12 19.37 3iae s ALA 545 CO 0.04 -0.66 0.10 -0.11 0.00 0.00 0.00 175.76 175.13 3iae n LEU 546 N 0.29 2.39 -0.35 0.00 7.94 -1.26 -4.62 117.00 121.39 3iae n LEU 546 Ca 0.03 0.05 0.04 0.00 -1.11 0.00 0.00 56.01 55.02 3iae n LEU 546 Cb 0.44 -0.77 0.20 0.00 0.53 0.00 0.00 43.42 43.83 3iae n LEU 546 CO 0.55 0.82 1.26 0.44 -1.11 0.00 0.00 177.39 179.34 3iae h ASP 547 N 0.03 0.99 -2.53 1.96 3.45 -1.98 -3.44 116.42 114.91 3iae h ASP 547 Ca -0.49 0.02 -0.59 0.00 0.43 0.00 0.00 57.03 56.40 3iae h ASP 547 Cb 1.99 -0.19 0.07 0.00 -0.56 0.00 0.00 39.33 40.65 3iae h ASP 547 CO 0.00 0.61 0.65 -2.65 -1.57 0.00 0.00 179.24 176.29 3iae n PRO 548 N -4.52 2.03 -3.64 3.56 -0.02 -1.26 -4.97 135.00 126.17 3iae n PRO 548 Ca 0.16 0.72 -0.38 0.00 -2.02 0.00 0.00 63.50 61.98 3iae n PRO 548 Cb 0.22 -2.41 -0.12 0.00 -0.02 0.00 0.00 33.50 31.18 3iae n PRO 548 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3iae s ILE 549 N 0.22 4.73 0.36 4.25 1.01 -1.26 -5.08 121.20 125.43 3iae s ILE 549 Ca 0.72 -0.29 -0.27 0.00 0.00 0.00 0.00 60.65 60.80 3iae s ILE 549 Cb -0.67 -3.37 -0.09 0.00 0.01 0.00 0.00 42.46 38.33 3iae s ILE 549 CO 0.46 0.11 1.25 -2.16 0.00 0.00 0.00 174.94 174.61 3iae s PRO 550 N 1.64 4.23 0.32 2.79 0.04 -1.26 -4.92 135.00 137.84 3iae s PRO 550 Ca 0.05 2.07 0.11 0.00 0.04 0.00 0.00 61.00 63.27 3iae s PRO 550 Cb -0.17 -2.92 0.93 0.00 0.04 0.00 0.00 34.50 32.38 3iae s PRO 550 CO 0.07 -0.24 1.71 -1.35 0.04 0.00 0.00 177.00 177.23 3iae h PRO 551 N 3.10 0.51 0.00 0.56 0.11 -1.98 -1.39 132.00 132.90 3iae h PRO 551 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3iae h PRO 551 Cb 1.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3iae h PRO 551 CO 0.64 0.34 0.00 0.93 -0.21 0.00 0.00 178.00 179.70 3iae h GLU 552 N 0.53 0.00 -0.18 1.05 4.39 -1.91 -2.80 114.58 115.66 3iae h GLU 552 Ca 0.66 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 60.25 3iae h GLU 552 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3iae h GLU 552 CO -0.50 0.00 -0.34 1.49 -1.16 0.00 0.00 179.01 178.50 3iae h GLU 553 N 0.00 0.54 -0.05 2.33 4.81 -1.63 -3.20 114.58 117.38 3iae h GLU 553 Ca 0.00 -0.35 -0.05 0.00 -0.13 0.00 0.00 59.36 58.84 3iae h GLU 553 Cb 0.52 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3iae h GLU 553 CO 0.00 0.96 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.97 3iae h LEU 554 N 0.19 0.07 -1.06 1.64 3.38 -1.55 -3.51 115.31 114.46 3iae h LEU 554 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3iae h LEU 554 Cb 0.94 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3iae h LEU 554 CO 0.08 0.28 0.00 2.30 0.09 0.00 0.00 178.44 181.18