#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 4.13 0.16 0.00 1.00 -1.26 -1.22 119.30 122.10 3iae s MET 3 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 55.69 55.74 3iae s MET 3 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 34.83 31.26 3iae s MET 3 CO 0.00 0.02 -0.19 0.96 0.00 0.00 0.00 175.02 175.81 3iae s ILE 4 N 1.15 1.86 0.82 2.53 -4.36 -0.37 -4.88 121.20 117.95 3iae s ILE 4 Ca 0.13 -1.89 -0.12 0.00 -0.26 0.00 0.00 60.65 58.52 3iae s ILE 4 Cb -0.14 -1.84 0.09 0.00 1.25 0.00 0.00 42.46 41.82 3iae s ILE 4 CO 0.06 -0.27 1.11 0.42 0.24 0.00 0.00 174.94 176.50 3iae s THR 5 N -1.92 2.80 0.30 8.37 -4.23 -1.26 -1.22 115.64 118.47 3iae s THR 5 Ca 0.15 0.26 0.08 0.00 -1.18 0.00 0.00 61.69 61.00 3iae s THR 5 Cb -0.06 -3.02 0.04 0.00 1.34 0.00 0.00 72.50 70.80 3iae s THR 5 CO 0.07 -0.34 1.71 1.23 -0.54 0.00 0.00 174.62 176.75 3iae h GLY 6 N -1.18 0.20 1.76 3.99 0.00 0.06 -2.81 103.07 105.09 3iae h GLY 6 Ca -0.48 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 46.59 3iae h GLY 6 CO 0.60 0.17 -0.21 -1.33 0.00 0.00 0.00 176.54 175.77 3iae h GLY 7 N 1.25 0.31 1.03 4.60 0.00 -1.71 -2.28 103.07 106.28 3iae h GLY 7 Ca 0.01 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 3iae h GLY 7 CO 0.06 0.21 0.09 -2.09 0.00 0.00 0.00 176.54 174.81 3iae h GLU 8 N 0.27 0.97 -0.81 4.80 4.57 -1.67 -2.64 114.58 120.06 3iae h GLU 8 Ca 0.05 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 57.96 3iae h GLU 8 Cb 0.53 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.97 3iae h GLU 8 CO 0.04 0.92 0.50 -0.07 -1.18 0.00 0.00 179.01 179.21 3iae h LEU 9 N 0.86 0.96 0.40 1.64 3.38 -1.23 -1.23 115.31 120.09 3iae h LEU 9 Ca 0.18 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3iae h LEU 9 Cb 0.43 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3iae h LEU 9 CO 0.01 0.73 -0.21 0.58 0.09 0.00 0.00 178.44 179.63 3iae h VAL 10 N 1.11 0.56 -0.45 1.22 2.07 -1.23 -2.35 116.25 117.18 3iae h VAL 10 Ca 0.29 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.78 3iae h VAL 10 Cb -0.07 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3iae h VAL 10 CO -0.06 0.00 0.16 0.58 0.02 0.00 0.00 177.57 178.27 3iae h VAL 11 N -0.57 1.22 -0.46 2.57 2.07 -1.28 -0.36 116.25 119.43 3iae h VAL 11 Ca -0.05 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.79 3iae h VAL 11 Cb 0.45 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3iae h VAL 11 CO 0.07 0.25 0.30 0.03 0.02 0.00 0.00 177.57 178.25 3iae h ARG 12 N 0.59 0.57 -0.11 1.57 3.08 -1.26 0.14 114.38 118.96 3iae h ARG 12 Ca 0.15 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 59.98 3iae h ARG 12 Cb 0.24 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.17 3iae h ARG 12 CO -0.01 0.38 -0.65 1.15 -1.07 0.00 0.00 179.97 179.77 3iae h THR 13 N 0.59 1.33 -0.87 2.04 2.02 -0.89 -2.67 112.91 114.45 3iae h THR 13 Ca 0.17 -1.92 -0.02 0.00 0.77 0.00 0.00 66.41 65.41 3iae h THR 13 Cb -0.02 2.14 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 3iae h THR 13 CO -0.04 0.59 0.48 -0.07 0.37 0.00 0.00 175.52 176.85 3iae h LEU 14 N 0.29 1.09 -0.34 2.58 3.38 -0.63 -1.30 115.31 120.38 3iae h LEU 14 Ca -0.05 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3iae h LEU 14 Cb 1.29 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3iae h LEU 14 CO 0.13 0.88 0.22 0.40 0.09 0.00 0.00 178.44 180.16 3iae h ILE 15 N 1.22 1.10 0.00 1.22 2.04 -1.00 -1.55 117.51 120.54 3iae h ILE 15 Ca 0.31 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 3iae h ILE 15 Cb 0.03 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3iae h ILE 15 CO -0.05 0.10 -0.16 0.50 0.00 0.00 0.00 178.15 178.54 3iae h LYS 16 N 0.45 0.00 0.00 2.37 3.64 -1.19 -0.70 116.57 121.14 3iae h LYS 16 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3iae h LYS 16 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3iae h LYS 16 CO -0.03 0.16 0.00 0.00 -2.27 0.00 0.00 179.45 177.31 3iae n ALA 17 N -2.35 2.22 -0.26 5.00 0.00 -0.51 -4.39 120.51 120.21 3iae n ALA 17 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3iae n ALA 17 Cb 0.26 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3iae n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iae n GLY 18 N 1.18 0.86 3.72 0.00 0.00 -0.27 -4.99 105.19 105.70 3iae n GLY 18 Ca 0.05 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 4.09 -0.14 1.61 -7.23 -0.74 -4.93 120.40 111.06 3iae s VAL 19 Ca 0.00 1.62 0.06 0.00 -1.81 0.00 0.00 61.98 61.84 3iae s VAL 19 Cb 0.00 -4.04 -0.07 0.00 0.56 0.00 0.00 36.38 32.83 3iae s VAL 19 CO 0.00 0.19 0.18 -0.62 -0.31 0.00 0.00 175.10 174.55 3iae n GLU 20 N 3.24 2.87 -3.99 4.82 1.02 -1.26 -4.53 120.64 122.81 3iae n GLU 20 Ca 0.06 -0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.05 3iae n GLU 20 Cb 0.47 -0.93 -0.13 0.00 -0.02 0.00 0.00 31.44 30.83 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 -1.92 0.26 0.15 -0.32 3.76 -1.26 -4.08 115.29 111.88 3iae s HIS 21 Ca 0.00 -0.24 0.08 0.00 -0.15 0.00 0.00 55.06 54.75 3iae s HIS 21 Cb 0.04 -0.17 -0.04 0.00 1.11 0.00 0.00 32.58 33.52 3iae s HIS 21 CO 0.23 -0.07 -0.18 -0.51 -0.85 0.00 0.00 174.74 173.36 3iae s LEU 22 N -0.68 2.41 -0.11 0.89 1.02 -0.70 -4.49 118.68 117.03 3iae s LEU 22 Ca -0.06 -0.83 0.01 0.00 0.02 0.00 0.00 54.13 53.28 3iae s LEU 22 Cb -0.05 -0.81 0.02 0.00 0.02 0.00 0.00 46.19 45.36 3iae s LEU 22 CO -0.00 -0.03 -0.14 -0.36 0.02 0.00 0.00 176.35 175.84 3iae s PHE 23 N -1.91 1.86 0.00 0.29 0.08 -0.08 -0.82 117.98 117.40 3iae s PHE 23 Ca 0.14 -0.87 0.00 0.00 0.12 0.00 0.00 56.93 56.32 3iae s PHE 23 Cb -0.06 -1.36 0.00 0.00 -0.57 0.00 0.00 43.02 41.02 3iae s PHE 23 CO 0.06 -0.46 0.00 0.41 -0.10 0.00 0.00 175.22 175.13 3iae n GLY 24 N 4.26 2.10 3.21 4.36 0.00 -1.02 -0.14 105.19 117.96 3iae n GLY 24 Ca -0.19 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 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 0.07 0.41 0.99 1.98 -1.12 -1.28 118.68 119.74 3iae s LEU 25 Ca 0.00 0.78 -0.26 0.00 -2.89 0.00 0.00 54.13 51.76 3iae s LEU 25 Cb 0.00 1.17 -0.09 0.00 0.66 0.00 0.00 46.19 47.93 3iae s LEU 25 CO 0.00 -0.18 1.33 -2.28 -1.89 0.00 0.00 176.35 173.33 3iae s HIS 26 N 1.32 2.75 0.01 5.38 5.65 -1.26 -4.34 115.29 124.81 3iae s HIS 26 Ca -0.09 1.38 -0.08 0.00 0.25 0.00 0.00 55.06 56.52 3iae s HIS 26 Cb -0.09 -3.72 0.00 0.00 -1.18 0.00 0.00 32.58 27.59 3iae s HIS 26 CO -0.11 -2.26 0.15 0.20 -0.65 0.00 0.00 174.74 172.07 3iae s GLY 27 N -0.68 0.05 0.38 1.59 0.00 -1.26 -4.89 107.32 102.52 3iae s GLY 27 Ca 0.57 -0.21 0.08 0.00 0.00 0.00 0.00 44.72 45.17 3iae s GLY 27 CO 0.51 -0.35 1.93 1.76 0.00 0.00 0.00 173.10 176.94 3iae h SER 28 N 4.00 0.29 -0.12 1.64 0.02 -1.99 -2.02 113.55 115.38 3iae h SER 28 Ca -0.31 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 60.62 3iae h SER 28 Cb 1.19 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 3iae h SER 28 CO 0.43 0.40 0.09 0.45 -1.14 0.00 0.00 176.83 177.06 3iae h HIS 29 N 0.30 0.00 -0.06 3.45 3.86 -1.96 -2.71 115.15 118.04 3iae h HIS 29 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3iae h HIS 29 Cb 0.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 3iae h HIS 29 CO 0.01 0.00 0.00 0.44 0.86 0.00 0.00 177.93 179.24 3iae n ILE 30 N -4.39 1.90 0.05 2.45 -5.35 -0.88 -4.54 119.36 108.60 3iae n ILE 30 Ca -0.00 -2.10 0.02 0.00 -0.27 0.00 0.00 62.75 60.40 3iae n ILE 30 Cb 0.21 -0.19 0.36 0.00 -1.74 0.00 0.00 39.64 38.28 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 0.38 0.38 -0.19 7.28 3.58 -1.04 -2.63 116.42 124.17 3iae h ASP 31 Ca 0.00 -0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.40 3iae h ASP 31 Cb 1.05 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 3iae h ASP 31 CO 0.04 0.45 0.13 0.71 -2.88 0.00 0.00 179.24 177.69 3iae h THR 32 N 0.39 1.02 -0.12 2.25 1.35 -1.85 0.27 112.91 116.22 3iae h THR 32 Ca 0.09 -0.07 -0.21 0.00 -0.55 0.00 0.00 66.41 65.67 3iae h THR 32 Cb 0.28 0.79 0.01 0.00 -1.73 0.00 0.00 68.15 67.50 3iae h THR 32 CO 0.01 0.04 -0.73 0.40 -0.25 0.00 0.00 175.52 174.98 3iae h ILE 33 N 0.21 1.30 -0.52 6.82 2.04 -1.68 -2.17 117.51 123.51 3iae h ILE 33 Ca 0.08 -1.97 -0.00 0.00 1.00 0.00 0.00 64.86 63.96 3iae h ILE 33 Cb 0.05 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 3iae h ILE 33 CO -0.01 0.61 0.31 -0.26 0.00 0.00 0.00 178.15 178.80 3iae h PHE 34 N 0.39 0.68 -0.70 1.37 -1.00 -1.11 -1.20 116.94 115.36 3iae h PHE 34 Ca -0.06 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.64 3iae h PHE 34 Cb 1.37 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 40.68 3iae h PHE 34 CO 0.10 0.48 0.15 1.96 -1.61 0.00 0.00 178.31 179.39 3iae h GLN 35 N 0.69 1.14 -0.19 1.51 1.08 -0.56 -2.18 115.11 116.60 3iae h GLN 35 Ca 0.18 -0.28 -0.13 0.00 -1.45 0.00 0.00 58.65 56.98 3iae h GLN 35 Cb -0.00 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 3iae h GLN 35 CO -0.03 1.01 -0.42 0.00 -0.95 0.00 0.00 178.83 178.43 3iae h ALA 36 N 1.08 0.92 -0.27 3.87 0.00 -1.24 -2.56 119.26 121.06 3iae h ALA 36 Ca 0.22 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3iae h ALA 36 Cb 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3iae h ALA 36 CO 0.01 0.64 -0.26 0.00 0.00 0.00 0.00 179.25 179.63 3iae h LEU 38 N 0.47 0.04 -1.33 0.00 6.46 -1.23 0.17 115.31 119.89 3iae h LEU 38 Ca 0.07 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3iae h LEU 38 Cb 0.70 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.59 3iae h LEU 38 CO 0.05 0.10 0.41 0.44 -0.62 0.00 0.00 178.44 178.82 3iae h ASP 39 N -0.03 0.75 -0.50 1.25 3.32 -1.34 -2.85 116.42 117.02 3iae h ASP 39 Ca 0.01 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3iae h ASP 39 Cb 0.07 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3iae h ASP 39 CO -0.00 0.56 0.00 1.41 -1.72 0.00 0.00 179.24 179.49 3iae n HIS 40 N -4.42 0.66 -3.63 4.55 8.25 -0.86 -4.95 115.22 114.82 3iae n HIS 40 Ca 0.06 -0.33 -0.27 0.00 -0.26 0.00 0.00 57.72 56.93 3iae n HIS 40 Cb 0.06 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.21 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 1.31 -5.39 -4.50 0.41 10.43 -0.63 -4.98 116.55 113.20 3iae n ASP 41 Ca 0.20 -0.59 -0.42 0.00 2.57 0.00 0.00 54.79 56.55 3iae n ASP 41 Cb 0.54 -4.30 -0.10 0.00 1.84 0.00 0.00 41.12 39.10 3iae n ASP 41 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3iae s VAL 42 N -3.25 5.24 0.16 2.53 1.01 0.51 -5.04 120.40 121.56 3iae s VAL 42 Ca 0.56 -0.36 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 3iae s VAL 42 Cb -0.27 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 3iae s VAL 42 CO 0.70 -0.18 1.46 -2.84 0.00 0.00 0.00 175.10 174.24 3iae s PRO 43 N 1.79 4.27 -0.31 2.72 0.02 -1.26 -4.52 135.00 137.73 3iae s PRO 43 Ca 0.07 2.22 -0.06 0.00 0.02 0.00 0.00 61.00 63.25 3iae s PRO 43 Cb -0.18 -3.19 0.03 0.00 0.02 0.00 0.00 34.50 31.18 3iae s PRO 43 CO 0.11 -0.49 0.06 0.42 -0.33 0.00 0.00 177.00 176.77 3iae s ILE 44 N 0.91 3.66 -0.88 2.83 1.01 -1.26 -1.72 121.20 125.76 3iae s ILE 44 Ca 0.66 -0.98 -0.25 0.00 0.00 0.00 0.00 60.65 60.08 3iae s ILE 44 Cb -0.40 -2.98 0.03 0.00 0.01 0.00 0.00 42.46 39.11 3iae s ILE 44 CO 0.33 -0.03 1.49 -0.63 0.00 0.00 0.00 174.94 176.09 3iae s ILE 45 N 1.41 3.75 -0.06 2.92 -1.09 -0.00 -4.91 121.20 123.22 3iae s ILE 45 Ca -0.00 -0.24 -0.30 0.00 -2.23 0.00 0.00 60.65 57.88 3iae s ILE 45 Cb -0.18 -4.79 -0.02 0.00 -1.58 0.00 0.00 42.46 35.88 3iae s ILE 45 CO 0.01 -1.71 1.03 1.51 -1.23 0.00 0.00 174.94 174.55 3iae s ASP 46 N 5.19 7.25 0.00 3.58 -4.77 -1.26 -2.42 116.67 124.24 3iae s ASP 46 Ca 0.47 1.62 0.00 0.00 -3.30 0.00 0.00 52.55 51.34 3iae s ASP 46 Cb -0.05 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 3iae s ASP 46 CO 0.02 -0.41 0.00 0.35 0.70 0.00 0.00 175.17 175.83 3iae n THR 47 N 4.35 0.00 0.56 2.11 -2.24 -0.40 -4.90 114.28 113.77 3iae n THR 47 Ca 0.08 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.93 3iae n THR 47 Cb 0.49 -0.98 0.03 0.00 -2.10 0.00 0.00 70.33 67.77 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 -0.56 1.37 -3.69 -0.78 5.12 -1.26 -4.88 116.66 111.98 3iae n ARG 48 Ca 0.00 -1.01 -0.13 0.00 -1.93 0.00 0.00 57.85 54.78 3iae n ARG 48 Cb 0.00 -1.21 -0.09 0.00 -1.16 0.00 0.00 32.46 30.00 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 -1.36 -0.60 0.40 -1.55 2.46 -1.26 -5.05 115.29 108.33 3iae s HIS 49 Ca 0.13 1.44 0.09 0.00 0.47 0.00 0.00 55.06 57.19 3iae s HIS 49 Cb 0.11 0.22 0.83 0.00 -0.13 0.00 0.00 32.58 33.61 3iae s HIS 49 CO 0.24 -0.29 1.97 0.93 -2.47 0.00 0.00 174.74 175.12 3iae h GLU 50 N 5.46 0.31 -0.17 2.88 3.07 -1.90 -1.99 114.58 122.24 3iae h GLU 50 Ca -0.28 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 58.53 3iae h GLU 50 Cb 1.18 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 3iae h GLU 50 CO 0.18 0.35 0.10 0.00 -1.40 0.00 0.00 179.01 178.23 3iae h ALA 51 N 1.69 0.21 -0.93 3.43 0.00 -1.84 0.24 119.26 122.05 3iae h ALA 51 Ca 0.07 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3iae h ALA 51 Cb 0.23 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3iae h ALA 51 CO 0.01 -0.32 0.61 0.00 0.00 0.00 0.00 179.25 179.55 3iae h ALA 52 N 1.08 1.39 -0.52 0.00 0.00 -1.77 0.20 119.26 119.64 3iae h ALA 52 Ca 0.07 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3iae h ALA 52 Cb -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3iae h ALA 52 CO -0.03 0.52 -0.13 0.00 0.00 0.00 0.00 179.25 179.61 3iae h ALA 53 N 1.45 0.72 -0.31 0.00 0.00 -0.92 0.74 119.26 120.93 3iae h ALA 53 Ca 0.37 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3iae h ALA 53 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3iae h ALA 53 CO -0.11 0.64 -0.04 0.78 0.00 0.00 0.00 179.25 180.53 3iae h GLY 54 N 0.87 0.62 1.47 0.00 0.00 0.04 -1.90 103.07 104.17 3iae h GLY 54 Ca 0.13 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 3iae h GLY 54 CO 0.05 0.44 -0.02 0.45 0.00 0.00 0.00 176.54 177.47 3iae h HIS 55 N 0.35 0.68 -0.85 5.60 3.86 -0.59 -2.56 115.15 121.64 3iae h HIS 55 Ca 0.08 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3iae h HIS 55 Cb 0.50 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.74 3iae h HIS 55 CO 0.04 0.66 0.46 0.00 0.86 0.00 0.00 177.93 179.95 3iae h ALA 56 N 1.37 1.09 -0.86 2.45 0.00 -0.68 -0.10 119.26 122.54 3iae h ALA 56 Ca 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3iae h ALA 56 Cb 0.41 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3iae h ALA 56 CO 0.02 0.61 0.46 0.00 0.00 0.00 0.00 179.25 180.34 3iae h ALA 57 N 1.25 1.10 0.15 0.00 0.00 -1.09 -0.58 119.26 120.09 3iae h ALA 57 Ca 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3iae h ALA 57 Cb 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3iae h ALA 57 CO -0.05 0.62 -0.07 0.93 0.00 0.00 0.00 179.25 180.68 3iae h GLU 58 N 1.20 -0.19 -0.49 0.00 5.08 -1.04 -2.08 114.58 117.06 3iae h GLU 58 Ca 0.30 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.70 3iae h GLU 58 Cb 0.04 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3iae h GLU 58 CO -0.05 -0.07 0.28 0.78 -1.00 0.00 0.00 179.01 178.95 3iae h GLY 59 N -0.27 0.69 0.58 -3.84 0.00 -0.82 0.23 103.07 99.64 3iae h GLY 59 Ca -0.02 -0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.16 3iae h GLY 59 CO 0.03 0.17 0.21 -1.82 0.00 0.00 0.00 176.54 175.14 3iae h TYR 60 N 0.56 0.38 -0.41 5.60 5.03 -1.13 0.15 116.97 127.16 3iae h TYR 60 Ca 0.20 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.48 3iae h TYR 60 Cb 0.04 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.21 3iae h TYR 60 CO -0.07 0.15 0.05 0.00 -1.32 0.00 0.00 178.16 176.96 3iae h ALA 61 N 1.32 0.54 -0.12 1.82 0.00 -0.69 0.00 119.26 122.13 3iae h ALA 61 Ca 0.24 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3iae h ALA 61 Cb 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3iae h ALA 61 CO -0.22 0.27 -0.21 0.00 0.00 0.00 0.00 179.25 179.09 3iae h ARG 62 N 0.53 0.36 -0.26 0.00 3.08 -0.37 -0.08 114.38 117.64 3iae h ARG 62 Ca 0.12 -0.22 -0.16 0.00 0.07 0.00 0.00 59.98 59.79 3iae h ARG 62 Cb 0.40 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3iae h ARG 62 CO 0.01 0.81 -0.48 0.00 -1.07 0.00 0.00 179.97 179.23 3iae h ALA 63 N 0.55 0.67 -0.00 0.04 0.00 -0.77 -3.25 119.26 116.50 3iae h ALA 63 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3iae h ALA 63 Cb 0.78 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3iae h ALA 63 CO 0.05 0.68 -0.47 0.41 0.00 0.00 0.00 179.25 179.91 3iae n GLY 64 N 0.19 -1.24 3.84 0.00 0.00 -0.01 -4.96 105.19 103.01 3iae n GLY 64 Ca -0.03 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.47 -1.74 -3.23 4.61 0.00 -0.10 -4.98 120.51 113.59 3iae n ALA 65 Ca 0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3iae n ALA 65 Cb 0.34 -2.75 -0.01 0.00 0.00 0.00 0.00 19.45 17.02 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 -4.43 0.09 -2.80 0.00 2.85 -0.84 -4.89 118.16 108.14 3iae n LYS 66 Ca -0.17 -0.61 -0.41 0.00 -1.05 0.00 0.00 58.31 56.06 3iae n LYS 66 Cb 0.62 0.52 -0.04 0.00 -0.65 0.00 0.00 35.03 35.49 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 4.41 -0.08 -5.58 2.96 -1.26 -4.44 118.68 114.69 3iae s LEU 67 Ca 0.07 1.61 -0.05 0.00 -0.22 0.00 0.00 54.13 55.54 3iae s LEU 67 Cb 0.00 -3.46 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 3iae s LEU 67 CO 0.05 -0.14 0.13 -0.83 -1.32 0.00 0.00 176.35 174.24 3iae s GLY 68 N 0.52 2.12 -0.19 7.98 0.00 -0.74 -4.72 107.32 112.28 3iae s GLY 68 Ca 0.47 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 44.49 3iae s GLY 68 CO 0.27 -0.50 -0.12 0.14 0.00 0.00 0.00 173.10 172.89 3iae s VAL 69 N -1.10 1.64 -0.02 1.40 1.01 -1.26 -0.43 120.40 121.65 3iae s VAL 69 Ca 0.18 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 3iae s VAL 69 Cb -0.12 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3iae s VAL 69 CO 0.08 0.25 0.19 0.00 0.00 0.00 0.00 175.10 175.63 3iae s ALA 70 N 1.41 3.93 -0.23 5.51 0.00 -0.32 -0.91 121.76 131.15 3iae s ALA 70 Ca 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 3iae s ALA 70 Cb -0.15 -1.93 0.07 0.00 0.00 0.00 0.00 23.12 21.11 3iae s ALA 70 CO -0.09 0.72 0.04 -1.17 0.00 0.00 0.00 175.76 175.26 3iae s LEU 71 N -1.80 1.61 0.22 0.00 0.20 0.80 -0.16 118.68 119.55 3iae s LEU 71 Ca 0.26 -1.07 0.09 0.00 0.69 0.00 0.00 54.13 54.10 3iae s LEU 71 Cb -0.13 -0.73 -0.05 0.00 -0.43 0.00 0.00 46.19 44.85 3iae s LEU 71 CO 0.16 -0.32 -0.17 0.68 -0.29 0.00 0.00 176.35 176.41 3iae s VAL 72 N 1.74 2.01 0.74 1.68 -7.23 0.29 -2.78 120.40 116.84 3iae s VAL 72 Ca 0.01 -2.21 -0.02 0.00 -1.81 0.00 0.00 61.98 57.95 3iae s VAL 72 Cb -0.17 -2.09 0.13 0.00 0.56 0.00 0.00 36.38 34.80 3iae s VAL 72 CO -0.12 -0.46 1.02 0.28 -0.31 0.00 0.00 175.10 175.50 3iae s THR 73 N -2.61 2.15 0.69 5.32 -1.32 -1.26 -1.17 115.64 117.44 3iae s THR 73 Ca 0.23 -0.53 -0.17 0.00 -1.21 0.00 0.00 61.69 60.02 3iae s THR 73 Cb -0.03 -2.62 0.01 0.00 -1.51 0.00 0.00 72.50 68.35 3iae s THR 73 CO 0.09 0.00 1.23 0.00 -2.21 0.00 0.00 174.62 173.74 3iae n ALA 74 N -2.90 0.75 -0.45 11.08 0.00 -1.22 -1.71 120.51 126.05 3iae n ALA 74 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3iae n ALA 74 Cb 0.60 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.77 3iae n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iae n GLY 75 N 0.88 1.67 0.26 0.00 0.00 -1.09 -2.95 105.19 103.95 3iae n GLY 75 Ca 0.15 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.11 103.07 99.88 3iae h GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iae h GLY 76 CO 0.00 0.00 -0.17 -1.33 0.00 0.00 0.00 176.54 175.04 3iae h GLY 77 N 0.67 -0.39 0.86 4.60 0.00 -1.57 -1.42 103.07 105.83 3iae h GLY 77 Ca -0.00 0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 3iae h GLY 77 CO 0.02 -0.17 -0.00 -2.75 0.00 0.00 0.00 176.54 173.63 3iae h PHE 78 N -0.39 -0.00 0.00 5.60 3.57 -0.93 -3.11 116.94 121.67 3iae h PHE 78 Ca -0.01 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 3iae h PHE 78 Cb 0.36 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3iae h PHE 78 CO -0.13 0.13 -0.22 1.79 -2.23 0.00 0.00 178.31 177.65 3iae h THR 79 N -0.14 1.13 0.00 4.41 1.35 -1.37 0.29 112.91 118.58 3iae h THR 79 Ca -0.00 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3iae h THR 79 Cb 0.14 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 3iae h THR 79 CO 0.00 0.22 0.00 0.78 -0.25 0.00 0.00 175.52 176.27 3iae h ASN 80 N 0.00 0.00 -0.25 5.36 2.35 -1.27 -3.13 115.58 118.65 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 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3iae h ASN 80 CO 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.81 3iae n ALA 81 N -1.95 2.47 -0.12 -0.83 0.00 0.08 -2.56 120.51 117.60 3iae n ALA 81 Ca 0.02 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.57 3iae n ALA 81 Cb 0.32 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 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 3.55 1.27 -0.04 0.00 2.07 -1.48 -2.62 116.25 119.02 3iae h VAL 82 Ca 0.00 -1.57 0.01 0.00 0.82 0.00 0.00 66.70 65.96 3iae h VAL 82 Cb 0.78 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3iae h VAL 82 CO 0.00 0.52 -0.02 0.74 0.02 0.00 0.00 177.57 178.83 3iae h THR 83 N 0.75 0.93 -0.81 2.57 2.02 -1.83 -0.29 112.91 116.24 3iae h THR 83 Ca 0.06 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.39 3iae h THR 83 Cb 0.99 0.93 -0.10 0.00 -1.74 0.00 0.00 68.15 68.23 3iae h THR 83 CO 0.10 0.00 0.37 -0.65 0.37 0.00 0.00 175.52 175.71 3iae h PRO 84 N -0.03 0.51 0.07 6.66 0.11 -1.85 0.22 132.00 137.70 3iae h PRO 84 Ca 0.02 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3iae h PRO 84 Cb 0.06 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.06 3iae h PRO 84 CO -0.05 0.34 -0.04 0.82 -0.21 0.00 0.00 178.00 178.86 3iae h ILE 85 N 0.52 1.00 -0.87 4.15 2.04 -1.09 0.09 117.51 123.36 3iae h ILE 85 Ca 0.45 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 66.10 3iae h ILE 85 Cb 0.69 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 3iae h ILE 85 CO -0.40 0.06 0.56 0.00 0.00 0.00 0.00 178.15 178.37 3iae h ALA 86 N 0.71 1.14 -0.02 1.87 0.00 -0.71 0.22 119.26 122.48 3iae h ALA 86 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iae h ALA 86 Cb 0.18 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3iae h ALA 86 CO 0.02 0.41 0.01 -0.97 0.00 0.00 0.00 179.25 178.71 3iae h ASN 87 N 1.09 0.02 -0.17 0.00 -0.73 -0.41 -2.58 115.58 112.80 3iae h ASN 87 Ca 0.34 -0.11 -0.03 0.00 1.87 0.00 0.00 56.30 58.37 3iae h ASN 87 Cb 0.00 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.57 3iae h ASN 87 CO -0.11 0.13 0.03 0.00 -0.37 0.00 0.00 177.43 177.10 3iae h ALA 88 N 0.89 1.55 0.19 1.57 0.00 -0.71 -0.59 119.26 122.16 3iae h ALA 88 Ca 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3iae h ALA 88 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3iae h ALA 88 CO -0.00 0.33 -0.09 2.35 0.00 0.00 0.00 179.25 181.84 3iae h TRP 89 N 0.38 -0.24 0.00 0.00 2.91 -0.77 0.00 115.95 118.24 3iae h TRP 89 Ca 0.09 -0.01 -0.17 0.00 1.13 0.00 0.00 58.89 59.93 3iae h TRP 89 Cb 0.22 0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.92 3iae h TRP 89 CO 0.01 -0.13 -0.82 -0.07 -1.03 0.00 0.00 178.44 176.40 3iae h LEU 90 N -0.28 0.01 0.00 0.65 3.38 -1.31 -3.18 115.31 114.59 3iae h LEU 90 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3iae h LEU 90 Cb 0.22 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3iae h LEU 90 CO 0.04 0.83 -0.12 0.47 0.09 0.00 0.00 178.44 179.74 3iae n ASP 91 N -3.57 0.47 -3.17 -0.43 9.92 -0.24 -4.70 116.55 114.82 3iae n ASP 91 Ca -0.01 0.41 -0.15 0.00 -0.53 0.00 0.00 54.79 54.51 3iae n ASP 91 Cb 0.78 -0.47 0.08 0.00 -0.64 0.00 0.00 41.12 40.88 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 -1.89 -5.80 -4.48 -1.24 1.74 -0.10 -4.93 116.66 99.96 3iae n ARG 92 Ca 0.06 0.76 -0.34 0.00 -0.77 0.00 0.00 57.85 57.56 3iae n ARG 92 Cb 0.39 -5.51 -0.12 0.00 -1.02 0.00 0.00 32.46 26.20 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 -3.32 3.81 -0.66 0.55 -4.23 -0.68 -4.35 115.64 106.76 3iae s THR 93 Ca 0.01 -0.40 -0.27 0.00 -1.18 0.00 0.00 61.69 59.85 3iae s THR 93 Cb -0.00 -2.64 0.01 0.00 1.34 0.00 0.00 72.50 71.21 3iae s THR 93 CO 0.65 0.52 1.48 -2.16 -0.54 0.00 0.00 174.62 174.58 3iae s PRO 94 N 0.05 3.05 -0.07 3.99 0.04 -1.26 -3.16 135.00 137.64 3iae s PRO 94 Ca -0.00 0.18 0.01 0.00 0.04 0.00 0.00 61.00 61.23 3iae s PRO 94 Cb -0.14 -4.23 0.02 0.00 0.04 0.00 0.00 34.50 30.20 3iae s PRO 94 CO 0.03 -2.27 -0.09 0.08 0.04 0.00 0.00 177.00 174.79 3iae s VAL 95 N 6.79 0.95 -0.53 -0.36 1.01 -1.23 -1.80 120.40 125.24 3iae s VAL 95 Ca 0.49 -0.34 -0.22 0.00 0.00 0.00 0.00 61.98 61.91 3iae s VAL 95 Cb -0.10 -0.92 0.05 0.00 0.00 0.00 0.00 36.38 35.41 3iae s VAL 95 CO 0.19 0.33 0.80 -0.22 0.00 0.00 0.00 175.10 176.20 3iae s LEU 96 N 0.99 4.47 -0.54 3.92 0.20 0.43 -1.30 118.68 126.85 3iae s LEU 96 Ca -0.09 -0.59 -0.24 0.00 0.69 0.00 0.00 54.13 53.90 3iae s LEU 96 Cb -0.15 -2.66 0.04 0.00 -0.43 0.00 0.00 46.19 42.99 3iae s LEU 96 CO 0.00 -1.08 0.94 -0.36 -0.29 0.00 0.00 176.35 175.56 3iae s PHE 97 N 3.38 2.81 -0.25 5.38 0.08 0.47 -1.18 117.98 128.66 3iae s PHE 97 Ca 0.24 0.02 -0.17 0.00 0.12 0.00 0.00 56.93 57.14 3iae s PHE 97 Cb -0.15 -4.06 -0.03 0.00 -0.57 0.00 0.00 43.02 38.21 3iae s PHE 97 CO 0.16 -1.32 0.45 -0.51 -0.10 0.00 0.00 175.22 173.90 3iae s LEU 98 N 3.92 4.06 0.01 -0.37 1.43 0.78 -1.17 118.68 127.34 3iae s LEU 98 Ca 0.31 0.45 0.06 0.00 -1.03 0.00 0.00 54.13 53.92 3iae s LEU 98 Cb -0.12 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 3iae s LEU 98 CO 0.20 -0.22 -0.18 0.28 0.23 0.00 0.00 176.35 176.66 3iae s THR 99 N 2.07 1.42 0.78 5.49 -1.32 -0.68 -0.55 115.64 122.85 3iae s THR 99 Ca 0.19 -0.91 -0.12 0.00 -1.21 0.00 0.00 61.69 59.64 3iae s THR 99 Cb -0.16 -1.21 0.06 0.00 -1.51 0.00 0.00 72.50 69.68 3iae s THR 99 CO 0.09 0.28 1.14 -0.83 -2.21 0.00 0.00 174.62 173.09 3iae s GLY 100 N -0.73 1.61 0.32 6.08 0.00 -0.31 0.05 107.32 114.33 3iae s GLY 100 Ca 0.06 -0.47 -0.16 0.00 0.00 0.00 0.00 44.72 44.15 3iae s GLY 100 CO 0.00 -0.03 0.68 -1.35 0.00 0.00 0.00 173.10 172.41 3iae s SER 101 N -4.38 -0.01 0.44 1.64 1.04 -1.18 -3.43 113.70 107.81 3iae s SER 101 Ca 0.61 -0.95 -0.25 0.00 0.48 0.00 0.00 55.95 55.83 3iae s SER 101 Cb -0.12 0.75 -0.09 0.00 0.10 0.00 0.00 66.02 66.66 3iae s SER 101 CO 0.51 -1.44 1.35 0.61 0.98 0.00 0.00 173.24 175.25 3iae n GLY 102 N -0.49 0.79 3.59 7.32 0.00 -1.26 -1.77 105.19 113.37 3iae n GLY 102 Ca -0.05 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.20 -0.11 -0.29 4.61 0.00 -1.26 -4.24 120.51 119.03 3iae n ALA 103 Ca 0.06 0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.69 3iae n ALA 103 Cb 0.40 -2.03 0.08 0.00 0.00 0.00 0.00 19.45 17.90 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 1.50 1.09-10.12 0.00 3.38 -1.91 -3.34 115.31 105.92 3iae h LEU 104 Ca -0.43 -0.16 -0.50 0.00 0.09 0.00 0.00 57.88 56.88 3iae h LEU 104 Cb 1.35 -0.28 0.07 0.00 0.09 0.00 0.00 40.66 41.89 3iae h LEU 104 CO 0.57 0.96 0.41 0.00 0.09 0.00 0.00 178.44 180.46 3iae s ARG 105 N -5.57 3.26 -1.43 1.13 3.03 -1.26 -2.68 118.95 115.43 3iae s ARG 105 Ca -0.12 1.49 -0.04 0.00 2.03 0.00 0.00 55.73 59.10 3iae s ARG 105 Cb 0.16 -2.00 0.02 0.00 -1.03 0.00 0.00 34.95 32.09 3iae s ARG 105 CO 0.84 -0.90 0.31 -0.40 -1.13 0.00 0.00 175.30 174.02 3iae n ASP 106 N -1.61 -5.02 -4.77 -2.89 5.68 -1.26 -4.99 116.55 101.69 3iae n ASP 106 Ca 0.11 -0.14 -0.40 0.00 -0.50 0.00 0.00 54.79 53.86 3iae n ASP 106 Cb 0.52 -4.15 -0.00 0.00 -1.14 0.00 0.00 41.12 36.35 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 -2.41 6.28 -1.51 -1.12 2.15 -1.09 -3.46 116.67 115.51 3iae s ASP 107 Ca 0.19 2.71 -0.06 0.00 0.43 0.00 0.00 52.55 55.82 3iae s ASP 107 Cb -0.09 -2.64 0.01 0.00 -0.30 0.00 0.00 42.92 39.90 3iae s ASP 107 CO 0.23 -0.88 0.77 -0.62 -0.17 0.00 0.00 175.17 174.51 3iae n GLU 108 N 0.14 -5.74 -0.20 4.34 -0.58 -1.26 -4.91 120.64 112.42 3iae n GLU 108 Ca 0.04 0.88 0.06 0.00 -0.42 0.00 0.00 57.16 57.71 3iae n GLU 108 Cb 0.43 -5.80 0.16 0.00 -0.57 0.00 0.00 31.44 25.66 3iae n GLU 108 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3iae n THR 109 N -4.65 1.11 -3.75 2.62 -2.24 -1.22 -4.98 114.28 101.16 3iae n THR 109 Ca -0.08 -1.07 -0.29 0.00 -2.27 0.00 0.00 64.05 60.34 3iae n THR 109 Cb 0.60 0.44 0.01 0.00 -2.10 0.00 0.00 70.33 69.28 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 0.44 -4.49 -4.65 3.42 3.02 -1.26 -4.97 115.26 106.76 3iae n ASN 110 Ca 0.13 -0.67 -0.26 0.00 -0.03 0.00 0.00 54.58 53.74 3iae n ASN 110 Cb 0.47 -3.62 0.11 0.00 -0.61 0.00 0.00 39.78 36.12 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 -3.19 2.17 0.25 3.41 -1.32 -1.26 -5.01 115.64 110.69 3iae s THR 111 Ca 0.59 -0.31 -0.31 0.00 -1.21 0.00 0.00 61.69 60.45 3iae s THR 111 Cb -0.30 -2.87 -0.12 0.00 -1.51 0.00 0.00 72.50 67.70 3iae s THR 111 CO 0.72 0.00 1.62 -0.11 -2.21 0.00 0.00 174.62 174.64 3iae n LEU 112 N -3.10 4.04 -0.57 9.08 7.94 -1.26 -3.05 117.00 130.08 3iae n LEU 112 Ca 0.12 1.11 -0.07 0.00 -1.11 0.00 0.00 56.01 56.06 3iae n LEU 112 Cb 0.60 -1.56 -0.03 0.00 0.53 0.00 0.00 43.42 42.96 3iae n LEU 112 CO 0.47 0.07 -0.07 0.00 -1.11 0.00 0.00 177.39 176.75 3iae n GLN 113 N 2.81 -1.74 -3.76 1.96 6.02 -1.26 -4.86 117.38 116.56 3iae n GLN 113 Ca 0.12 0.75 -0.24 0.00 -0.01 0.00 0.00 57.00 57.62 3iae n GLN 113 Cb 0.35 -5.17 -0.03 0.00 1.02 0.00 0.00 30.24 26.42 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 1.14 0.52 -0.35 -1.58 0.00 -1.17 -2.67 120.51 116.40 3iae n ALA 114 Ca -0.07 -1.82 0.00 0.00 0.00 0.00 0.00 53.44 51.55 3iae n ALA 114 Cb 0.55 0.87 0.00 0.00 0.00 0.00 0.00 19.45 20.87 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 -0.14 0.88 3.48 0.00 0.00 -1.26 -4.82 105.19 103.33 3iae n GLY 115 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.80 4.27 -0.99 -0.61 -5.25 -1.26 -5.05 121.20 109.51 3iae s ILE 116 Ca 0.00 -0.20 -0.23 0.00 -0.99 0.00 0.00 60.65 59.23 3iae s ILE 116 Cb 0.00 -2.95 0.04 0.00 2.95 0.00 0.00 42.46 42.50 3iae s ILE 116 CO 0.00 0.40 1.46 -0.62 -1.79 0.00 0.00 174.94 174.39 3iae s ASP 117 N 1.12 6.40 0.22 4.36 -1.08 -1.26 -4.82 116.67 121.60 3iae s ASP 117 Ca 0.04 -1.32 0.00 0.00 -0.52 0.00 0.00 52.55 50.75 3iae s ASP 117 Cb -0.14 -2.57 0.19 0.00 -1.46 0.00 0.00 42.92 38.94 3iae s ASP 117 CO 0.03 -1.60 1.54 1.56 0.52 0.00 0.00 175.17 177.21 3iae h GLN 118 N 9.92 0.41 -0.34 4.34 4.20 -1.99 -2.77 115.11 128.87 3iae h GLN 118 Ca 0.15 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 3iae h GLN 118 Cb 1.01 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 3iae h GLN 118 CO 1.41 0.86 0.14 0.28 -0.67 0.00 0.00 178.83 180.84 3iae h VAL 119 N 0.32 1.19 -0.45 -0.54 2.07 -1.95 -2.41 116.25 114.46 3iae h VAL 119 Ca 0.00 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 3iae h VAL 119 Cb 1.07 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3iae h VAL 119 CO 0.10 0.20 0.09 0.00 0.02 0.00 0.00 177.57 177.97 3iae h ALA 120 N 0.98 1.31 -0.13 1.67 0.00 -1.93 0.63 119.26 121.79 3iae h ALA 120 Ca 0.12 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3iae h ALA 120 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3iae h ALA 120 CO -0.01 0.49 -0.36 0.52 0.00 0.00 0.00 179.25 179.88 3iae h MET 121 N 0.67 0.26 0.00 0.00 2.07 -1.36 -3.20 114.93 113.37 3iae h MET 121 Ca 0.15 -0.11 0.00 0.00 -2.07 0.00 0.00 59.70 57.66 3iae h MET 121 Cb 0.29 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.01 3iae h MET 121 CO 0.00 0.60 -1.16 0.00 1.07 0.00 0.00 176.91 177.42 3iae n ALA 122 N -2.48 3.17 -0.32 6.32 0.00 -0.92 -4.41 120.51 121.87 3iae n ALA 122 Ca -0.01 -0.39 0.10 0.00 0.00 0.00 0.00 53.44 53.13 3iae n ALA 122 Cb 0.45 -0.96 0.26 0.00 0.00 0.00 0.00 19.45 19.20 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 2.37 1.45 0.00 0.00 0.00 -0.87 -1.00 119.26 121.20 3iae h ALA 123 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iae h ALA 123 Cb 0.82 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3iae h ALA 123 CO 0.00 -0.06 0.00 -2.30 0.00 0.00 0.00 179.25 176.89 3iae n PRO 124 N -4.82 0.19 -0.45 0.00 -0.02 -1.26 -3.81 135.00 124.82 3iae n PRO 124 Ca 0.20 0.32 0.07 0.00 -2.02 0.00 0.00 63.50 62.06 3iae n PRO 124 Cb 0.49 -1.80 0.13 0.00 -0.02 0.00 0.00 33.50 32.30 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 -2.13 1.51 -4.13 4.25 -5.35 -0.44 -5.05 119.36 108.02 3iae n ILE 125 Ca 0.04 -2.10 -0.12 0.00 -0.27 0.00 0.00 62.75 60.29 3iae n ILE 125 Cb 0.29 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.08 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 -2.26 0.68 0.29 7.28 -4.23 -0.85 -4.51 115.64 112.05 3iae s THR 126 Ca 0.29 -1.53 0.08 0.00 -1.18 0.00 0.00 61.69 59.35 3iae s THR 126 Cb 0.28 -1.19 0.01 0.00 1.34 0.00 0.00 72.50 72.94 3iae s THR 126 CO -0.03 -0.61 1.67 0.11 -0.54 0.00 0.00 174.62 175.22 3iae h LYS 127 N 3.70 0.15 -2.11 3.99 1.57 -1.52 -3.44 116.57 118.90 3iae h LYS 127 Ca -0.36 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.36 3iae h LYS 127 Cb 1.18 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.28 3iae h LYS 127 CO 0.53 0.61 -0.11 -0.46 -0.57 0.00 0.00 179.45 179.45 3iae s TRP 128 N -3.95 -1.11 -0.11 -1.35 -0.00 -1.26 -5.08 118.94 106.08 3iae s TRP 128 Ca -0.03 2.08 0.02 0.00 -0.00 0.00 0.00 56.10 58.16 3iae s TRP 128 Cb 0.13 0.64 0.01 0.00 -0.00 0.00 0.00 33.47 34.25 3iae s TRP 128 CO 0.77 -0.56 -0.17 0.00 -0.00 0.00 0.00 176.95 176.98 3iae s ALA 129 N 2.23 1.84 -0.10 5.86 0.00 -1.26 -1.01 121.76 129.32 3iae s ALA 129 Ca -0.07 -0.82 -0.19 0.00 0.00 0.00 0.00 51.96 50.88 3iae s ALA 129 Cb -0.09 -0.86 0.04 0.00 0.00 0.00 0.00 23.12 22.21 3iae s ALA 129 CO -0.18 -0.04 0.46 -1.58 0.00 0.00 0.00 175.76 174.42 3iae s HIS 130 N 0.90 -0.44 -0.18 0.00 5.04 -0.58 -4.97 115.29 115.06 3iae s HIS 130 Ca -0.08 0.92 -0.06 0.00 -1.54 0.00 0.00 55.06 54.30 3iae s HIS 130 Cb -0.15 0.20 -0.04 0.00 0.04 0.00 0.00 32.58 32.63 3iae s HIS 130 CO -0.01 -0.37 0.04 0.50 -2.34 0.00 0.00 174.74 172.56 3iae s ARG 131 N -0.54 3.87 -0.05 2.88 3.52 -1.26 -0.60 118.95 126.77 3iae s ARG 131 Ca -0.07 -0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 54.83 3iae s ARG 131 Cb -0.03 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 30.18 3iae s ARG 131 CO 0.04 0.22 1.13 0.08 -0.81 0.00 0.00 175.30 175.96 3iae s VAL 132 N 0.48 4.42 -0.60 7.11 1.01 -0.03 -4.93 120.40 127.86 3iae s VAL 132 Ca 0.01 1.73 0.19 0.00 0.00 0.00 0.00 61.98 63.92 3iae s VAL 132 Cb -0.13 -4.11 -0.24 0.00 0.00 0.00 0.00 36.38 31.90 3iae s VAL 132 CO 0.01 0.03 0.68 0.23 0.00 0.00 0.00 175.10 176.05 3iae n MET 133 N 4.86 0.68 -3.74 2.72 0.00 -1.26 -4.56 117.12 115.81 3iae n MET 133 Ca 0.10 -0.06 -0.13 0.00 0.00 0.00 0.00 57.70 57.60 3iae n MET 133 Cb 0.47 -1.42 -0.10 0.00 0.00 0.00 0.00 33.22 32.17 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 -2.99 -0.93 0.35 3.04 0.00 -1.26 -5.05 121.76 114.92 3iae s ALA 134 Ca 0.02 1.02 0.03 0.00 0.00 0.00 0.00 51.96 53.04 3iae s ALA 134 Cb 0.14 -0.57 0.66 0.00 0.00 0.00 0.00 23.12 23.34 3iae s ALA 134 CO 0.79 -0.18 2.00 1.15 0.00 0.00 0.00 175.76 179.52 3iae h THR 135 N 4.50 1.13 0.00 0.00 2.02 -1.93 -1.64 112.91 116.99 3iae h THR 135 Ca -0.27 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 3iae h THR 135 Cb 1.18 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3iae h THR 135 CO 0.28 0.15 -0.02 -0.33 0.37 0.00 0.00 175.52 175.97 3iae h GLU 136 N 0.83 0.00 0.00 6.66 3.07 -1.96 -2.62 114.58 120.56 3iae h GLU 136 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 3iae h GLU 136 Cb -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 3iae h GLU 136 CO -0.06 0.02 -0.23 0.72 -1.40 0.00 0.00 179.01 178.06 3iae n HIS 137 N -3.15 0.44 0.08 4.33 8.25 -0.62 -4.48 115.22 120.07 3iae n HIS 137 Ca -0.01 0.13 -0.13 0.00 -0.26 0.00 0.00 57.72 57.45 3iae n HIS 137 Cb 0.22 -0.64 -0.06 0.00 1.12 0.00 0.00 29.99 30.62 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 0.22 -0.51 1.59 2.04 -1.53 -1.71 117.51 117.61 3iae h ILE 138 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 3iae h ILE 138 Cb 0.64 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 3iae h ILE 138 CO 0.00 0.00 0.28 -0.65 0.00 0.00 0.00 178.15 177.78 3iae h PRO 139 N -0.55 0.52 -0.15 2.37 0.11 -1.82 -0.15 132.00 132.33 3iae h PRO 139 Ca 0.04 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.98 3iae h PRO 139 Cb 0.62 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3iae h PRO 139 CO -0.27 0.35 -0.51 0.07 -0.21 0.00 0.00 178.00 177.43 3iae h ARG 140 N 0.54 0.40 0.01 1.05 0.11 -1.82 -2.30 114.38 112.37 3iae h ARG 140 Ca 0.22 -0.24 -0.22 0.00 0.10 0.00 0.00 59.98 59.85 3iae h ARG 140 Cb 0.10 0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.20 3iae h ARG 140 CO -0.14 0.82 -0.93 -0.07 0.10 0.00 0.00 179.97 179.75 3iae h LEU 141 N 0.32 0.43 -0.51 0.08 4.07 -1.09 -0.93 115.31 117.68 3iae h LEU 141 Ca 0.01 -0.35 -0.07 0.00 0.08 0.00 0.00 57.88 57.55 3iae h LEU 141 Cb 1.00 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.59 3iae h LEU 141 CO 0.09 1.15 0.04 0.58 -1.08 0.00 0.00 178.44 179.23 3iae h VAL 142 N 0.18 1.26 -0.29 1.22 2.07 -1.02 -0.63 116.25 119.03 3iae h VAL 142 Ca -0.07 -1.01 -0.13 0.00 0.82 0.00 0.00 66.70 66.31 3iae h VAL 142 Cb 1.57 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3iae h VAL 142 CO 0.15 0.36 -0.36 -0.03 0.02 0.00 0.00 177.57 177.72 3iae h MET 143 N 0.75 0.66 -0.69 1.57 1.85 -1.41 -1.51 114.93 116.16 3iae h MET 143 Ca 0.15 -0.32 -0.04 0.00 -0.61 0.00 0.00 59.70 58.88 3iae h MET 143 Cb 0.46 -0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.46 3iae h MET 143 CO 0.02 0.91 0.26 0.37 -0.40 0.00 0.00 176.91 178.07 3iae h GLN 144 N 0.55 1.04 -0.69 0.39 4.15 -1.06 -1.36 115.11 118.13 3iae h GLN 144 Ca 0.06 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.25 3iae h GLN 144 Cb 0.87 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.36 3iae h GLN 144 CO 0.08 0.87 0.33 0.00 -1.93 0.00 0.00 178.83 178.18 3iae h ALA 145 N 1.12 0.90 -0.40 3.38 0.00 -0.84 -1.90 119.26 121.51 3iae h ALA 145 Ca 0.23 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3iae h ALA 145 Cb 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3iae h ALA 145 CO -0.02 0.47 -0.04 0.82 0.00 0.00 0.00 179.25 180.48 3iae h ILE 146 N 0.97 1.27 -0.93 0.00 2.04 -1.10 -1.66 117.51 118.10 3iae h ILE 146 Ca 0.24 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 65.05 3iae h ILE 146 Cb 0.13 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 3iae h ILE 146 CO -0.03 0.37 0.60 0.03 0.00 0.00 0.00 178.15 179.12 3iae h ARG 147 N 0.56 1.14 -0.23 2.37 3.08 -1.11 -1.48 114.38 118.71 3iae h ARG 147 Ca 0.11 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3iae h ARG 147 Cb 0.54 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3iae h ARG 147 CO 0.03 0.75 0.05 0.00 -1.07 0.00 0.00 179.97 179.73 3iae h ALA 148 N 1.38 0.30 -0.63 0.04 0.00 -1.16 -2.79 119.26 116.41 3iae h ALA 148 Ca 0.37 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3iae h ALA 148 Cb 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3iae h ALA 148 CO -0.12 -0.04 0.22 0.00 0.00 0.00 0.00 179.25 179.31 3iae h ALA 149 N 0.87 0.83 0.00 0.00 0.00 -1.07 -3.22 119.26 116.66 3iae h ALA 149 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3iae h ALA 149 Cb 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3iae h ALA 149 CO 0.00 0.47 0.00 -0.07 0.00 0.00 0.00 179.25 179.65 3iae h LEU 150 N 0.90 0.00-10.24 0.00 3.38 -1.29 -2.84 115.31 105.22 3iae h LEU 150 Ca 0.21 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.68 3iae h LEU 150 Cb 0.25 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.02 3iae h LEU 150 CO -0.01 0.00 0.03 -0.44 0.09 0.00 0.00 178.44 178.10 3iae s SER 151 N -5.54 6.33 0.09 -0.43 0.01 -1.06 -4.79 113.70 108.31 3iae s SER 151 Ca 0.08 0.85 -0.30 0.00 1.31 0.00 0.00 55.95 57.88 3iae s SER 151 Cb 0.08 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 64.05 3iae s SER 151 CO 0.63 -0.45 1.07 0.00 0.41 0.00 0.00 173.24 174.90 3iae s ALA 152 N -2.52 3.29 0.28 1.44 0.00 -1.26 -2.31 121.76 120.68 3iae s ALA 152 Ca 0.46 0.70 -0.28 0.00 0.00 0.00 0.00 51.96 52.84 3iae s ALA 152 Cb -0.10 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 3iae s ALA 152 CO 0.39 -0.24 0.96 -1.25 0.00 0.00 0.00 175.76 175.63 3iae s PRO 153 N 0.46 4.72 0.66 0.00 0.04 -1.26 -4.89 135.00 134.72 3iae s PRO 153 Ca 0.52 1.48 -0.18 0.00 0.04 0.00 0.00 61.00 62.86 3iae s PRO 153 Cb -0.26 -3.09 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 3iae s PRO 153 CO 0.30 0.38 1.26 0.54 0.04 0.00 0.00 177.00 179.53 3iae n ARG 154 N 1.10 1.01 -3.65 4.56 3.00 -0.98 -4.98 116.66 116.73 3iae n ARG 154 Ca -0.00 0.40 0.01 0.00 -0.01 0.00 0.00 57.85 58.25 3iae n ARG 154 Cb 0.48 -2.49 -0.01 0.00 0.00 0.00 0.00 32.46 30.44 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 -1.44 -0.38 0.41 -0.13 0.00 -1.07 -3.81 107.32 100.90 3iae s GLY 155 Ca 0.82 0.58 -0.23 0.00 0.00 0.00 0.00 44.72 45.89 3iae s GLY 155 CO 0.42 0.19 1.00 2.56 0.00 0.00 0.00 173.10 177.27 3iae s PRO 156 N -2.56 4.17 -0.03 2.90 0.04 -1.19 -3.52 135.00 134.82 3iae s PRO 156 Ca 0.14 1.34 0.03 0.00 0.04 0.00 0.00 61.00 62.56 3iae s PRO 156 Cb 0.04 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3iae s PRO 156 CO -0.03 -0.10 -0.12 0.08 0.04 0.00 0.00 177.00 176.87 3iae s VAL 157 N -1.86 1.05 -0.27 -0.36 1.01 -0.42 -1.28 120.40 118.27 3iae s VAL 157 Ca 0.60 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.99 3iae s VAL 157 Cb -0.17 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 3iae s VAL 157 CO 0.21 0.32 0.09 -0.22 0.00 0.00 0.00 175.10 175.50 3iae s LEU 158 N 0.14 3.65 -0.26 3.92 2.96 -0.18 -0.40 118.68 128.51 3iae s LEU 158 Ca -0.04 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.47 3iae s LEU 158 Cb -0.10 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.68 3iae s LEU 158 CO 0.01 -0.10 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.72 3iae s LEU 159 N 1.59 3.41 -0.24 -0.68 1.98 -0.31 -1.53 118.68 122.90 3iae s LEU 159 Ca 0.05 -0.77 -0.13 0.00 -2.89 0.00 0.00 54.13 50.39 3iae s LEU 159 Cb -0.16 -1.75 -0.04 0.00 0.66 0.00 0.00 46.19 44.90 3iae s LEU 159 CO 0.04 -0.14 0.28 -0.62 -1.89 0.00 0.00 176.35 174.02 3iae s ASP 160 N 1.40 6.24 -0.42 3.68 -1.08 0.23 -1.68 116.67 125.04 3iae s ASP 160 Ca 0.02 0.26 0.03 0.00 -0.52 0.00 0.00 52.55 52.34 3iae s ASP 160 Cb -0.17 -2.17 0.12 0.00 -1.46 0.00 0.00 42.92 39.24 3iae s ASP 160 CO -0.02 -0.04 0.15 -0.76 0.52 0.00 0.00 175.17 175.03 3iae s LEU 161 N 1.41 4.21 0.35 -1.34 1.43 0.11 -0.85 118.68 124.00 3iae s LEU 161 Ca 0.13 -2.51 -0.28 0.00 -1.03 0.00 0.00 54.13 50.44 3iae s LEU 161 Cb -0.15 -1.52 -0.12 0.00 0.03 0.00 0.00 46.19 44.43 3iae s LEU 161 CO 0.07 -0.31 1.34 -2.65 0.23 0.00 0.00 176.35 175.03 3iae n PRO 162 N 3.77 2.27 -0.34 1.29 -0.02 -1.26 -3.12 135.00 137.58 3iae n PRO 162 Ca 0.04 0.79 0.17 0.00 -2.02 0.00 0.00 63.50 62.49 3iae n PRO 162 Cb 0.37 -2.41 0.38 0.00 -0.02 0.00 0.00 33.50 31.81 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 2.65 1.00 -0.24 6.00 7.01 -1.52 0.13 115.95 130.98 3iae h TRP 163 Ca -0.47 0.04 0.04 0.00 2.11 0.00 0.00 58.89 60.60 3iae h TRP 163 Cb 1.27 -0.29 -0.07 0.00 -2.10 0.00 0.00 29.16 27.98 3iae h TRP 163 CO 0.51 0.07 -0.54 0.22 -2.79 0.00 0.00 178.44 175.91 3iae h ASP 164 N 0.59 -1.75 -0.10 2.65 -0.00 -1.86 -1.25 116.42 114.70 3iae h ASP 164 Ca 0.63 0.22 -0.03 0.00 -0.00 0.00 0.00 57.03 57.85 3iae h ASP 164 Cb 1.19 0.70 -0.01 0.00 -0.00 0.00 0.00 39.33 41.20 3iae h ASP 164 CO -0.47 -0.45 -0.02 0.40 -0.00 0.00 0.00 179.24 178.70 3iae h ILE 165 N -0.50 1.15 0.23 2.25 1.08 -1.13 -1.95 117.51 118.63 3iae h ILE 165 Ca 0.05 -0.58 -0.33 0.00 -0.39 0.00 0.00 64.86 63.61 3iae h ILE 165 Cb 0.64 1.02 0.03 0.00 -3.07 0.00 0.00 36.82 35.43 3iae h ILE 165 CO -0.49 0.19 -1.48 -0.07 -0.69 0.00 0.00 178.15 175.61 3iae h LEU 166 N 0.30 0.76 -0.37 1.44 3.38 -1.16 -3.32 115.31 116.34 3iae h LEU 166 Ca 0.07 -0.85 -0.09 0.00 0.09 0.00 0.00 57.88 57.10 3iae h LEU 166 Cb 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3iae h LEU 166 CO 0.01 1.67 -0.42 0.24 0.09 0.00 0.00 178.44 180.02 3iae h MET 167 N 0.13 0.00 -6.54 1.13 2.86 -1.14 0.08 114.93 111.45 3iae h MET 167 Ca -0.25 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 56.80 3iae h MET 167 Cb 2.14 0.00 0.08 0.00 0.06 0.00 0.00 31.60 33.88 3iae h MET 167 CO 0.26 0.42 0.58 -1.71 1.06 0.00 0.00 176.91 177.52 3iae n ASN 168 N -3.31 2.57 -4.52 1.22 5.15 -0.74 -4.65 115.26 110.98 3iae n ASN 168 Ca 0.01 1.14 -0.34 0.00 -0.60 0.00 0.00 54.58 54.79 3iae n ASN 168 Cb 0.64 -1.39 -0.12 0.00 -0.53 0.00 0.00 39.78 38.37 3iae n ASN 168 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3iae s GLN 169 N -0.26 3.48 0.19 1.20 -0.21 -1.26 -1.55 119.66 121.25 3iae s GLN 169 Ca 0.70 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 55.59 3iae s GLN 169 Cb -0.69 -2.85 -0.05 0.00 1.00 0.00 0.00 33.01 30.43 3iae s GLN 169 CO 0.49 0.34 -0.01 0.96 -2.12 0.00 0.00 175.29 174.95 3iae s ILE 170 N 0.09 0.84 -0.23 1.08 -4.36 -0.36 -4.88 121.20 113.38 3iae s ILE 170 Ca -0.01 -2.01 -0.29 0.00 -0.26 0.00 0.00 60.65 58.09 3iae s ILE 170 Cb -0.14 -2.18 -0.02 0.00 1.25 0.00 0.00 42.46 41.37 3iae s ILE 170 CO 0.03 -0.44 1.61 -0.62 0.24 0.00 0.00 174.94 175.76 3iae s ASP 171 N -3.22 6.35 0.57 4.36 3.68 -1.26 -1.24 116.67 125.91 3iae s ASP 171 Ca 0.25 1.57 0.34 0.00 2.13 0.00 0.00 52.55 56.84 3iae s ASP 171 Cb 0.06 -2.53 1.70 0.00 -1.45 0.00 0.00 42.92 40.70 3iae s ASP 171 CO 0.05 -1.29 2.14 1.05 0.13 0.00 0.00 175.17 177.25 3iae h GLU 172 N 10.83 0.00 0.00 4.34 4.11 -1.52 -2.46 114.58 129.88 3iae h GLU 172 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 3iae h GLU 172 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3iae h GLU 172 CO 1.01 0.06 0.00 -0.25 0.07 0.00 0.00 179.01 179.89 3iae n ASP 173 N -3.36 0.78 -0.03 3.06 10.43 -1.26 -3.76 116.55 122.41 3iae n ASP 173 Ca -0.02 0.58 0.01 0.00 2.57 0.00 0.00 54.79 57.93 3iae n ASP 173 Cb 0.21 -0.79 -0.14 0.00 1.84 0.00 0.00 41.12 42.23 3iae n ASP 173 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3iae n SER 174 N -2.24 0.19 -4.64 -2.24 3.41 -0.93 -4.90 113.62 102.27 3iae n SER 174 Ca 0.05 0.08 -0.37 0.00 -0.26 0.00 0.00 58.87 58.37 3iae n SER 174 Cb 0.42 1.23 -0.10 0.00 -0.26 0.00 0.00 64.21 65.50 3iae n SER 174 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3iae s VAL 175 N -3.02 5.34 0.02 -3.33 0.11 -1.22 -5.08 120.40 113.22 3iae s VAL 175 Ca -0.08 0.20 -0.18 0.00 -2.93 0.00 0.00 61.98 58.99 3iae s VAL 175 Cb 0.10 -3.52 -0.06 0.00 -1.53 0.00 0.00 36.38 31.37 3iae s VAL 175 CO 0.86 0.31 0.53 0.27 -3.33 0.00 0.00 175.10 173.74 3iae s ILE 176 N 1.28 4.90 -0.37 7.04 -5.25 -1.26 -4.95 121.20 122.58 3iae s ILE 176 Ca 0.08 1.10 -0.15 0.00 -0.99 0.00 0.00 60.65 60.69 3iae s ILE 176 Cb -0.14 -3.85 0.00 0.00 2.95 0.00 0.00 42.46 41.42 3iae s ILE 176 CO 0.06 0.50 0.34 -0.63 -1.79 0.00 0.00 174.94 173.43 3iae s ILE 177 N -0.70 5.20 0.60 8.37 -1.09 -1.26 -4.75 121.20 127.57 3iae s ILE 177 Ca 0.28 -0.25 -0.14 0.00 -2.23 0.00 0.00 60.65 58.30 3iae s ILE 177 Cb -0.18 -3.87 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 3iae s ILE 177 CO 0.16 -0.19 1.04 -2.84 -1.23 0.00 0.00 174.94 171.88 3iae s PRO 178 N 1.90 3.38 0.62 2.79 0.02 -1.26 -5.05 135.00 137.40 3iae s PRO 178 Ca 0.09 1.06 -0.10 0.00 0.02 0.00 0.00 61.00 62.07 3iae s PRO 178 Cb -0.17 -2.05 -0.02 0.00 0.02 0.00 0.00 34.50 32.27 3iae s PRO 178 CO 0.11 -0.75 1.01 -0.51 -0.33 0.00 0.00 177.00 176.53 3iae s ASP 179 N -3.19 6.02 -0.78 2.53 -0.00 -1.26 -4.87 116.67 115.12 3iae s ASP 179 Ca 0.61 1.25 -0.25 0.00 -0.00 0.00 0.00 52.55 54.15 3iae s ASP 179 Cb -0.14 -2.27 0.04 0.00 -0.00 0.00 0.00 42.92 40.55 3iae s ASP 179 CO 0.41 -0.95 1.24 -0.22 -0.00 0.00 0.00 175.17 175.66 3iae s LEU 180 N -5.15 3.51 -0.79 1.23 2.96 -1.26 -4.94 118.68 114.24 3iae s LEU 180 Ca 0.55 -0.77 -0.06 0.00 -0.22 0.00 0.00 54.13 53.63 3iae s LEU 180 Cb -0.11 -2.53 0.20 0.00 0.50 0.00 0.00 46.19 44.25 3iae s LEU 180 CO 0.52 -1.68 0.67 -0.69 -1.32 0.00 0.00 176.35 173.84 3iae s VAL 181 N 5.19 4.53 -0.12 1.68 1.01 -1.26 -4.98 120.40 126.45 3iae s VAL 181 Ca 0.34 -3.13 -0.05 0.00 0.00 0.00 0.00 61.98 59.15 3iae s VAL 181 Cb -0.08 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.51 3iae s VAL 181 CO 0.09 -1.00 0.25 -0.22 0.00 0.00 0.00 175.10 174.22 3iae s LEU 182 N -0.46 -0.18 0.26 3.92 2.96 -1.26 -5.14 118.68 118.78 3iae s LEU 182 Ca 0.21 0.56 -0.31 0.00 -0.22 0.00 0.00 54.13 54.37 3iae s LEU 182 Cb -0.14 0.66 -0.13 0.00 0.50 0.00 0.00 46.19 47.09 3iae s LEU 182 CO -0.07 -0.23 1.52 -0.24 -1.32 0.00 0.00 176.35 176.01 3iae n SER 183 N 5.19 3.34 0.22 3.68 2.88 -1.26 -4.90 113.62 122.77 3iae n SER 183 Ca -0.09 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 58.72 3iae n SER 183 Cb 0.50 -1.51 0.29 0.00 -0.75 0.00 0.00 64.21 62.75 3iae n SER 183 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3iae h ALA 184 N 4.74 1.00 -2.39 -1.46 0.00 -2.00 -3.42 119.26 115.72 3iae h ALA 184 Ca -0.46 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.81 3iae h ALA 184 Cb 1.25 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.89 3iae h ALA 184 CO 0.79 0.00 0.02 -1.01 0.00 0.00 0.00 179.25 179.06 3iae s HIS 185 N -3.30 3.17 0.87 0.00 3.76 -1.26 -5.02 115.29 113.51 3iae s HIS 185 Ca 0.06 0.23 -0.11 0.00 -0.15 0.00 0.00 55.06 55.09 3iae s HIS 185 Cb 0.06 -3.01 0.11 0.00 1.11 0.00 0.00 32.58 30.86 3iae s HIS 185 CO 0.63 -0.58 1.09 0.20 -0.85 0.00 0.00 174.74 175.24 3iae s GLY 186 N 1.77 1.63 0.37 -2.22 0.00 -1.26 -4.98 107.32 102.63 3iae s GLY 186 Ca 0.21 0.03 -0.28 0.00 0.00 0.00 0.00 44.72 44.68 3iae s GLY 186 CO 0.14 0.48 1.36 0.00 0.00 0.00 0.00 173.10 175.08 3iae s ALA 187 N -2.92 3.44 0.24 3.20 0.00 -1.26 -4.41 121.76 120.05 3iae s ALA 187 Ca 0.63 1.35 0.09 0.00 0.00 0.00 0.00 51.96 54.03 3iae s ALA 187 Cb -0.18 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 3iae s ALA 187 CO 0.57 -0.84 -0.02 -0.98 0.00 0.00 0.00 175.76 174.48 3iae s ARG 188 N -2.04 2.25 0.68 0.00 1.70 -1.26 -1.15 118.95 119.14 3iae s ARG 188 Ca 0.53 -1.36 -0.16 0.00 -0.47 0.00 0.00 55.73 54.26 3iae s ARG 188 Cb -0.41 -2.17 0.01 0.00 -0.57 0.00 0.00 34.95 31.80 3iae s ARG 188 CO 0.55 0.39 1.22 -2.14 -1.08 0.00 0.00 175.30 174.24 3iae s PRO 189 N -3.45 2.41 0.32 3.89 0.02 -1.26 -4.96 135.00 131.97 3iae s PRO 189 Ca 0.30 1.82 -0.29 0.00 0.02 0.00 0.00 61.00 62.85 3iae s PRO 189 Cb -0.07 -1.86 -0.13 0.00 0.02 0.00 0.00 34.50 32.47 3iae s PRO 189 CO 0.19 -1.65 1.33 -3.47 -0.33 0.00 0.00 177.00 173.07 3iae n ASP 190 N -2.32 2.81 -0.32 2.53 2.03 -1.26 -4.78 116.55 115.23 3iae n ASP 190 Ca 0.14 1.19 0.22 0.00 0.52 0.00 0.00 54.79 56.86 3iae n ASP 190 Cb 0.50 -1.48 0.50 0.00 -0.72 0.00 0.00 41.12 39.92 3iae n ASP 190 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3iae h PRO 191 N 3.04 0.40 -0.64 -0.67 0.11 -1.98 -0.25 132.00 132.01 3iae h PRO 191 Ca -0.46 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3iae h PRO 191 Cb 1.28 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3iae h PRO 191 CO 0.66 0.26 0.17 0.00 -0.21 0.00 0.00 178.00 178.88 3iae h ALA 192 N 1.63 0.84 -0.46 -0.75 0.00 -1.99 0.15 119.26 118.67 3iae h ALA 192 Ca 0.60 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 3iae h ALA 192 Cb 1.48 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3iae h ALA 192 CO -0.31 0.54 -0.23 -0.44 0.00 0.00 0.00 179.25 178.81 3iae h ASP 193 N 0.93 0.98 -0.39 0.00 3.45 -1.46 -1.12 116.42 118.81 3iae h ASP 193 Ca 0.20 -0.38 -0.11 0.00 0.43 0.00 0.00 57.03 57.18 3iae h ASP 193 Cb 0.34 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.82 3iae h ASP 193 CO -0.00 1.16 -0.15 0.25 -1.57 0.00 0.00 179.24 178.93 3iae h LEU 194 N 0.82 0.85 -0.19 1.55 5.85 -0.98 -0.77 115.31 122.45 3iae h LEU 194 Ca 0.10 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 3iae h LEU 194 Cb 0.80 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3iae h LEU 194 CO 0.07 1.00 0.03 0.44 -0.34 0.00 0.00 178.44 179.64 3iae h ASP 195 N 0.76 0.30 -0.93 1.25 3.32 -0.62 -1.01 116.42 119.49 3iae h ASP 195 Ca 0.12 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 56.93 3iae h ASP 195 Cb 0.66 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.08 3iae h ASP 195 CO 0.05 0.49 0.61 -0.61 -1.72 0.00 0.00 179.24 178.06 3iae h GLN 196 N 0.09 1.13 -0.27 3.56 5.75 -1.11 0.18 115.11 124.44 3iae h GLN 196 Ca 0.06 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 3iae h GLN 196 Cb 0.32 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 3iae h GLN 196 CO 0.00 0.75 0.01 0.00 -2.65 0.00 0.00 178.83 176.95 3iae h ALA 197 N 1.46 0.37 0.00 3.38 0.00 -1.02 -2.30 119.26 121.15 3iae h ALA 197 Ca 0.37 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3iae h ALA 197 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3iae h ALA 197 CO -0.11 0.10 -0.47 -0.07 0.00 0.00 0.00 179.25 178.70 3iae h LEU 198 N 0.27 0.00 -0.42 0.00 3.38 -0.83 -1.96 115.31 115.75 3iae h LEU 198 Ca 0.08 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 3iae h LEU 198 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3iae h LEU 198 CO 0.01 0.47 -0.61 0.00 0.09 0.00 0.00 178.44 178.40 3iae h ALA 199 N 1.53 0.59 -0.26 1.53 0.00 -0.60 -1.81 119.26 120.24 3iae h ALA 199 Ca -0.00 -0.54 -0.15 0.00 0.00 0.00 0.00 54.91 54.21 3iae h ALA 199 Cb 0.95 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3iae h ALA 199 CO 0.06 0.70 -0.44 -0.07 0.00 0.00 0.00 179.25 179.50 3iae h LEU 200 N 0.45 0.71 -1.13 0.00 3.38 -1.31 -3.08 115.31 114.33 3iae h LEU 200 Ca -0.01 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 3iae h LEU 200 Cb 1.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3iae h LEU 200 CO 0.12 1.05 -0.40 0.25 0.09 0.00 0.00 178.44 179.56 3iae h LEU 201 N 0.53 0.00 -0.02 1.67 5.85 -1.28 -2.68 115.31 119.39 3iae h LEU 201 Ca 0.04 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.49 3iae h LEU 201 Cb 0.98 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.03 3iae h LEU 201 CO 0.09 0.40 -1.08 -0.09 -0.34 0.00 0.00 178.44 177.42 3iae h ARG 202 N 0.00 0.56 -0.01 1.25 2.43 -1.27 -3.28 114.38 114.06 3iae h ARG 202 Ca -0.00 -0.66 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 3iae h ARG 202 Cb 0.78 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3iae h ARG 202 CO 0.05 1.26 -0.32 0.36 -1.51 0.00 0.00 179.97 179.81 3iae n LYS 203 N -3.78 0.69 -2.17 0.20 2.85 -1.17 -4.80 118.16 109.98 3iae n LYS 203 Ca -0.10 -0.42 -0.40 0.00 -1.05 0.00 0.00 58.31 56.34 3iae n LYS 203 Cb 0.90 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 33.77 3iae n LYS 203 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3iae s ALA 204 N -2.60 3.42 -0.04 0.58 0.00 -1.01 -4.97 121.76 117.14 3iae s ALA 204 Ca 0.21 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.32 3iae s ALA 204 Cb 0.19 -3.45 -0.28 0.00 0.00 0.00 0.00 23.12 19.58 3iae s ALA 204 CO 0.56 -0.60 0.68 0.93 0.00 0.00 0.00 175.76 177.33 3iae h GLU 205 N 3.25 0.26 -2.05 0.00 5.08 -1.91 -3.42 114.58 115.79 3iae h GLU 205 Ca -0.49 -0.44 -0.57 0.00 -1.00 0.00 0.00 59.36 56.87 3iae h GLU 205 Cb 1.23 0.16 -0.40 0.00 0.50 0.00 0.00 28.75 30.24 3iae h GLU 205 CO 0.65 1.11 -0.98 0.54 -1.00 0.00 0.00 179.01 179.33 3iae n ARG 206 N -3.44 1.23 -2.82 2.33 1.74 -1.26 -4.96 116.66 109.47 3iae n ARG 206 Ca -0.22 -3.62 -0.35 0.00 -0.77 0.00 0.00 57.85 52.89 3iae n ARG 206 Cb 1.05 -1.52 -0.07 0.00 -1.02 0.00 0.00 32.46 30.90 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 -1.63 4.37 -0.02 5.56 0.04 -1.26 -1.08 135.00 140.98 3iae s PRO 207 Ca 0.37 1.18 -0.01 0.00 0.04 0.00 0.00 61.00 62.59 3iae s PRO 207 Cb 0.18 -2.47 0.01 0.00 0.04 0.00 0.00 34.50 32.26 3iae s PRO 207 CO -0.08 0.12 0.03 0.08 0.04 0.00 0.00 177.00 177.19 3iae s VAL 208 N -1.91 -0.02 -0.18 -0.36 1.01 -0.20 -4.21 120.40 114.53 3iae s VAL 208 Ca 0.56 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.54 3iae s VAL 208 Cb -0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 3iae s VAL 208 CO 0.18 0.03 0.10 -0.63 0.00 0.00 0.00 175.10 174.78 3iae s ILE 209 N 0.44 5.10 -0.21 2.22 1.01 -0.55 -0.02 121.20 129.19 3iae s ILE 209 Ca -0.04 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.70 3iae s ILE 209 Cb -0.05 -3.29 0.03 0.00 0.01 0.00 0.00 42.46 39.15 3iae s ILE 209 CO -0.01 0.48 -0.15 -0.69 0.00 0.00 0.00 174.94 174.57 3iae s VAL 210 N 0.13 2.28 -0.07 2.92 1.01 0.49 0.16 120.40 127.32 3iae s VAL 210 Ca 0.07 -1.10 -0.12 0.00 0.00 0.00 0.00 61.98 60.83 3iae s VAL 210 Cb -0.12 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 3iae s VAL 210 CO -0.00 0.34 0.31 -0.76 0.00 0.00 0.00 175.10 174.99 3iae s LEU 211 N 1.26 4.40 0.00 3.92 1.43 0.16 -0.25 118.68 129.60 3iae s LEU 211 Ca 0.01 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 3iae s LEU 211 Cb -0.15 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.67 3iae s LEU 211 CO -0.09 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.40 3iae n GLY 212 N 2.18 3.16 0.32 -3.19 0.00 0.10 -2.38 105.19 105.38 3iae n GLY 212 Ca -0.15 -2.16 0.01 0.00 0.00 0.00 0.00 46.02 43.71 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 0.69 0.23 1.61 4.64 -1.86 -2.35 113.55 116.51 3iae h SER 213 Ca 0.00 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 3iae h SER 213 Cb 0.00 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3iae h SER 213 CO 0.00 0.55 -0.11 -0.33 -0.87 0.00 0.00 176.83 176.08 3iae h GLU 214 N 0.78 0.00 -0.04 4.77 4.39 -1.87 -0.61 114.58 122.01 3iae h GLU 214 Ca 0.20 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.81 3iae h GLU 214 Cb 0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3iae h GLU 214 CO -0.03 0.11 -0.40 0.00 -1.16 0.00 0.00 179.01 177.52 3iae h ALA 215 N 1.89 1.27 0.13 3.43 0.00 -1.64 -3.12 119.26 121.22 3iae h ALA 215 Ca -0.00 -0.38 -0.28 0.00 0.00 0.00 0.00 54.91 54.26 3iae h ALA 215 Cb 0.25 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.97 3iae h ALA 215 CO 0.01 0.53 -1.23 0.77 0.00 0.00 0.00 179.25 179.33 3iae h SER 216 N 0.06 0.52 -0.69 0.00 0.02 -1.19 -2.45 113.55 109.82 3iae h SER 216 Ca 0.00 -0.53 -0.04 0.00 -0.84 0.00 0.00 61.79 60.39 3iae h SER 216 Cb 0.73 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 3iae h SER 216 CO 0.05 1.39 0.28 0.03 -1.14 0.00 0.00 176.83 177.44 3iae h ARG 217 N 0.12 1.04 0.01 3.45 2.47 -1.38 -3.10 114.38 116.98 3iae h ARG 217 Ca -0.14 -0.19 -0.27 0.00 -1.26 0.00 0.00 59.98 58.12 3iae h ARG 217 Cb 1.93 -0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 30.04 3iae h ARG 217 CO 0.21 0.86 -1.51 1.79 0.56 0.00 0.00 179.97 181.88 3iae h THR 218 N 0.99 1.10 -6.34 2.04 1.35 -1.68 -3.44 112.91 106.93 3iae h THR 218 Ca 0.23 -2.90 -0.47 0.00 -0.55 0.00 0.00 66.41 62.72 3iae h THR 218 Cb 0.21 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3iae h THR 218 CO -0.02 0.65 -0.89 0.00 -0.25 0.00 0.00 175.52 175.01 3iae n ALA 219 N -2.51 -2.14 -2.38 6.62 0.00 -0.92 -4.88 120.51 114.31 3iae n ALA 219 Ca -0.12 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.65 3iae n ALA 219 Cb 1.02 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 -4.32 3.19 -0.01 0.00 5.12 -1.26 -4.78 116.66 114.60 3iae n ARG 220 Ca -0.26 -3.22 -0.17 0.00 -1.93 0.00 0.00 57.85 52.27 3iae n ARG 220 Cb 0.66 -3.29 -0.10 0.00 -1.16 0.00 0.00 32.46 28.58 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 6.82 0.52 -0.16 5.56 1.57 -1.94 -1.81 116.57 127.12 3iae h LYS 221 Ca 0.45 -0.48 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 3iae h LYS 221 Cb 0.77 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 3iae h LYS 221 CO 1.56 1.11 -0.31 1.79 -0.57 0.00 0.00 179.45 183.04 3iae h THR 222 N 0.09 1.27 -0.19 -0.16 1.35 -2.00 -1.92 112.91 111.35 3iae h THR 222 Ca -0.06 -1.31 -0.19 0.00 -0.55 0.00 0.00 66.41 64.30 3iae h THR 222 Cb 1.28 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 3iae h THR 222 CO 0.12 0.40 -0.64 0.00 -0.25 0.00 0.00 175.52 175.16 3iae h ALA 223 N 1.40 0.52 -0.13 6.62 0.00 -1.92 -2.83 119.26 122.90 3iae h ALA 223 Ca 0.04 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3iae h ALA 223 Cb 0.69 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3iae h ALA 223 CO 0.05 0.70 0.06 1.25 0.00 0.00 0.00 179.25 181.31 3iae h LEU 224 N 0.50 0.18 -0.81 0.00 5.85 -1.07 -2.24 115.31 117.73 3iae h LEU 224 Ca -0.01 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.58 3iae h LEU 224 Cb 1.23 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 3iae h LEU 224 CO 0.13 0.29 0.52 0.28 -0.34 0.00 0.00 178.44 179.32 3iae h SER 225 N 0.07 0.87 -0.81 1.25 0.02 -1.42 -0.94 113.55 112.58 3iae h SER 225 Ca 0.05 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3iae h SER 225 Cb 0.16 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 3iae h SER 225 CO -0.00 0.61 0.38 0.00 -1.14 0.00 0.00 176.83 176.67 3iae h ALA 226 N 1.33 1.05 -0.33 3.77 0.00 -1.39 0.83 119.26 124.53 3iae h ALA 226 Ca 0.32 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 3iae h ALA 226 Cb -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 3iae h ALA 226 CO -0.11 0.62 -0.49 0.35 0.00 0.00 0.00 179.25 179.63 3iae h PHE 227 N 1.16 1.11 -0.23 0.00 3.04 -1.08 -2.68 116.94 118.27 3iae h PHE 227 Ca 0.28 -0.37 -0.19 0.00 3.98 0.00 0.00 57.97 61.67 3iae h PHE 227 Cb 0.14 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.43 3iae h PHE 227 CO 0.01 1.21 -0.60 0.28 -2.02 0.00 0.00 178.31 177.19 3iae h VAL 228 N 0.71 1.29 -0.01 1.41 2.07 -0.97 -2.26 116.25 118.50 3iae h VAL 228 Ca 0.03 -1.81 -0.10 0.00 0.82 0.00 0.00 66.70 65.64 3iae h VAL 228 Cb 1.09 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 3iae h VAL 228 CO 0.11 0.58 -0.47 0.00 0.02 0.00 0.00 177.57 177.82 3iae h ALA 229 N 0.73 1.21 0.12 1.67 0.00 -0.89 0.28 119.26 122.39 3iae h ALA 229 Ca -0.00 -0.43 -0.27 0.00 0.00 0.00 0.00 54.91 54.21 3iae h ALA 229 Cb 1.20 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.92 3iae h ALA 229 CO 0.13 0.59 -1.22 0.00 0.00 0.00 0.00 179.25 178.74 3iae h ALA 230 N 1.51 0.11 0.01 0.00 0.00 -1.43 -3.38 119.26 116.09 3iae h ALA 230 Ca -0.00 -0.86 -0.37 0.00 0.00 0.00 0.00 54.91 53.68 3iae h ALA 230 Cb 0.83 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3iae h ALA 230 CO 0.06 0.93 -2.30 0.25 0.00 0.00 0.00 179.25 178.20 3iae n THR 231 N -3.57 1.50 -2.39 0.00 -2.24 -0.85 -4.65 114.28 102.07 3iae n THR 231 Ca -0.09 -0.72 -0.07 0.00 -2.27 0.00 0.00 64.05 60.90 3iae n THR 231 Cb 1.01 -1.04 0.01 0.00 -2.10 0.00 0.00 70.33 68.20 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 1.95 0.22 3.71 3.38 0.00 0.98 -4.78 105.19 110.65 3iae n GLY 232 Ca -0.36 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.62 5.27 0.36 1.61 1.01 -1.25 -4.87 120.40 119.91 3iae s VAL 233 Ca 0.07 0.62 -0.28 0.00 0.00 0.00 0.00 61.98 62.39 3iae s VAL 233 Cb -0.03 -3.67 -0.11 0.00 0.00 0.00 0.00 36.38 32.57 3iae s VAL 233 CO 0.09 0.35 1.44 -2.84 0.00 0.00 0.00 175.10 174.14 3iae s PRO 234 N 0.69 4.18 -0.17 2.72 0.02 -1.26 -4.83 135.00 136.35 3iae s PRO 234 Ca 0.18 2.47 -0.00 0.00 0.02 0.00 0.00 61.00 63.67 3iae s PRO 234 Cb -0.14 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.38 3iae s PRO 234 CO 0.06 -0.45 -0.15 0.08 -0.33 0.00 0.00 177.00 176.21 3iae s VAL 235 N -1.04 2.64 0.33 3.83 1.01 0.40 -1.48 120.40 126.08 3iae s VAL 235 Ca 0.52 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.81 3iae s VAL 235 Cb -0.45 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3iae s VAL 235 CO 0.59 0.51 0.29 -0.36 0.00 0.00 0.00 175.10 176.13 3iae s PHE 236 N 0.98 2.90 -0.09 5.22 0.08 0.41 -0.99 117.98 126.49 3iae s PHE 236 Ca -0.02 -0.30 -0.28 0.00 0.12 0.00 0.00 56.93 56.45 3iae s PHE 236 Cb -0.15 -1.79 0.07 0.00 -0.57 0.00 0.00 43.02 40.58 3iae s PHE 236 CO -0.03 0.19 0.66 0.00 -0.10 0.00 0.00 175.22 175.94 3iae s ALA 237 N -2.30 -1.69 1.11 5.36 0.00 -0.45 -0.66 121.76 123.13 3iae s ALA 237 Ca 0.41 1.38 -0.19 0.00 0.00 0.00 0.00 51.96 53.57 3iae s ALA 237 Cb -0.06 -0.23 0.26 0.00 0.00 0.00 0.00 23.12 23.09 3iae s ALA 237 CO 0.26 -0.35 1.23 0.16 0.00 0.00 0.00 175.76 177.06 3iae s ASP 238 N -0.87 1.77 0.22 0.00 3.84 -1.00 -2.00 116.67 118.63 3iae s ASP 238 Ca -0.09 0.35 -0.13 0.00 -0.00 0.00 0.00 52.55 52.69 3iae s ASP 238 Cb -0.01 -0.42 0.27 0.00 -1.38 0.00 0.00 42.92 41.38 3iae s ASP 238 CO 0.08 -3.57 1.62 1.88 -0.00 0.00 0.00 175.17 175.18 3iae h TYR 239 N -2.21 -0.33 0.00 2.11 0.05 -1.93 -0.88 116.97 113.78 3iae h TYR 239 Ca -0.44 0.06 -0.07 0.00 0.05 0.00 0.00 58.73 58.33 3iae h TYR 239 Cb 1.25 0.25 -0.01 0.00 1.01 0.00 0.00 36.73 39.23 3iae h TYR 239 CO -1.98 -0.28 -0.35 1.49 -1.05 0.00 0.00 178.16 175.99 3iae h GLU 240 N 0.01 0.00 -0.01 4.88 4.57 -1.93 -2.97 114.58 119.13 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 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 3iae h GLU 240 CO -0.68 0.35 -0.29 0.41 -1.18 0.00 0.00 179.01 177.62 3iae n GLY 241 N 0.18 -0.79 0.33 1.92 0.00 -0.43 -4.48 105.19 101.93 3iae n GLY 241 Ca -0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 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 0.88 1.03 -1.91 0.99 5.85 -1.13 -2.55 115.31 118.47 3iae h LEU 242 Ca 0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3iae h LEU 242 Cb 0.49 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3iae h LEU 242 CO 0.00 0.82 0.00 0.77 -0.34 0.00 0.00 178.44 179.69 3iae h SER 243 N 1.15 0.00 1.01 1.25 4.64 -1.80 -1.24 113.55 118.56 3iae h SER 243 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 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 -0.05 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.14 3iae n MET 244 N -2.87 0.23 0.01 4.77 2.81 -0.96 -2.78 117.12 118.32 3iae n MET 244 Ca -0.01 0.36 0.13 0.00 -1.81 0.00 0.00 57.70 56.37 3iae n MET 244 Cb 0.18 -1.86 0.39 0.00 -0.71 0.00 0.00 33.22 31.22 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 -2.28 0.33 0.28 4.03 4.77 -0.47 -4.24 117.00 119.42 3iae n LEU 245 Ca 0.03 0.22 0.18 0.00 -0.03 0.00 0.00 56.01 56.41 3iae n LEU 245 Cb 0.30 -0.34 0.73 0.00 -2.33 0.00 0.00 43.42 41.78 3iae n LEU 245 CO 0.24 0.06 1.01 0.28 -1.33 0.00 0.00 177.39 177.65 3iae h SER 246 N 0.00 0.00 -0.02 -1.43 0.02 -1.65 -2.49 113.55 107.97 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 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3iae h SER 246 CO 0.00 0.00 -0.02 0.61 -1.14 0.00 0.00 176.83 176.28 3iae n GLY 247 N -0.07 0.73 3.88 -3.77 0.00 -1.26 -4.96 105.19 99.74 3iae n GLY 247 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.02 4.00 0.64 0.99 1.43 -0.94 -4.94 118.68 117.84 3iae s LEU 248 Ca 0.30 0.97 -0.18 0.00 -1.03 0.00 0.00 54.13 54.18 3iae s LEU 248 Cb 0.20 -3.79 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 3iae s LEU 248 CO 0.32 -0.25 1.30 -2.65 0.23 0.00 0.00 176.35 175.30 3iae n PRO 249 N -0.85 1.18 -0.24 1.29 -0.02 -1.26 -4.92 135.00 130.18 3iae n PRO 249 Ca 0.01 0.46 0.04 0.00 -2.02 0.00 0.00 63.50 61.98 3iae n PRO 249 Cb 0.54 -2.54 0.28 0.00 -0.02 0.00 0.00 33.50 31.76 3iae n PRO 249 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3iae h ASP 250 N 0.63 0.82 0.88 2.55 3.45 -1.96 -2.17 116.42 120.61 3iae h ASP 250 Ca -0.51 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.95 3iae h ASP 250 Cb 1.34 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.92 3iae h ASP 250 CO 0.53 0.55 0.00 0.00 -1.57 0.00 0.00 179.24 178.75 3iae h ALA 251 N 1.55 1.00 -0.00 3.45 0.00 -1.92 -2.85 119.26 120.49 3iae h ALA 251 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3iae h ALA 251 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3iae h ALA 251 CO -0.10 0.00 -0.80 -1.33 0.00 0.00 0.00 179.25 177.01 3iae n MET 252 N -2.68 0.09 -2.79 0.00 2.81 -0.82 -4.68 117.12 109.05 3iae n MET 252 Ca 0.01 -0.07 -0.43 0.00 -1.81 0.00 0.00 57.70 55.41 3iae n MET 252 Cb 0.27 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.24 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 -2.96 3.27 0.34 0.03 0.52 -1.08 -0.46 118.95 118.62 3iae s ARG 253 Ca 0.10 -0.38 0.18 0.00 -0.52 0.00 0.00 55.73 55.11 3iae s ARG 253 Cb 0.17 -4.11 0.34 0.00 0.52 0.00 0.00 34.95 31.86 3iae s ARG 253 CO 0.79 -1.67 1.57 0.78 0.02 0.00 0.00 175.30 176.80 3iae h GLY 254 N 11.39 0.00 0.00 -3.53 0.00 -1.39 -3.45 103.07 106.09 3iae h GLY 254 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3iae h GLY 254 CO 1.14 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.29 3iae n GLY 255 N 0.88 0.18 3.77 4.60 0.00 -1.21 -4.89 105.19 108.53 3iae n GLY 255 Ca 0.02 -1.28 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 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 4.28 0.66 0.99 1.43 -1.26 -1.34 118.68 123.45 3iae s LEU 256 Ca 0.00 2.11 0.44 0.00 -1.03 0.00 0.00 54.13 55.65 3iae s LEU 256 Cb 0.00 -4.00 2.41 0.00 0.03 0.00 0.00 46.19 44.63 3iae s LEU 256 CO 0.00 -0.37 2.37 0.58 0.23 0.00 0.00 176.35 179.16 3iae h VAL 257 N 2.49 0.04 -0.92 -1.59 2.07 -1.74 -2.98 116.25 113.63 3iae h VAL 257 Ca -0.48 -0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.10 3iae h VAL 257 Cb 1.21 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 3iae h VAL 257 CO 0.64 0.00 0.60 0.06 0.02 0.00 0.00 177.57 178.89 3iae h GLN 258 N 0.00 1.03 -0.85 1.57 3.07 -1.87 -2.04 115.11 116.03 3iae h GLN 258 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.68 3iae h GLN 258 Cb 0.00 -0.23 0.00 0.00 0.08 0.00 0.00 27.48 27.33 3iae h GLN 258 CO 0.00 0.68 0.00 0.27 0.09 0.00 0.00 178.83 179.87 3iae n ASN 259 N -4.49 1.79 -0.50 0.06 0.23 -1.12 -2.66 115.26 108.57 3iae n ASN 259 Ca 0.14 -2.16 0.14 0.00 -0.53 0.00 0.00 54.58 52.17 3iae n ASN 259 Cb 0.19 -0.50 0.49 0.00 -2.08 0.00 0.00 39.78 37.88 3iae n ASN 259 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 3iae n LEU 260 N 0.10 1.58 -0.15 -4.53 7.94 -0.77 -4.30 117.00 116.88 3iae n LEU 260 Ca 0.05 -0.52 -0.10 0.00 -1.11 0.00 0.00 56.01 54.33 3iae n LEU 260 Cb 0.40 -0.01 -0.01 0.00 0.53 0.00 0.00 43.42 44.33 3iae n LEU 260 CO 0.06 0.26 0.78 0.22 -1.11 0.00 0.00 177.39 177.61 3iae h TYR 261 N 2.46 0.83 -0.05 1.96 3.20 -1.67 -3.13 116.97 120.57 3iae h TYR 261 Ca 0.00 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.72 3iae h TYR 261 Cb 0.54 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3iae h TYR 261 CO 0.00 0.83 0.00 -1.13 -1.64 0.00 0.00 178.16 176.22 3iae n SER 262 N -4.40 0.52 0.11 -2.11 3.41 -1.26 -3.94 113.62 105.94 3iae n SER 262 Ca -0.00 -1.54 -0.04 0.00 -0.26 0.00 0.00 58.87 57.03 3iae n SER 262 Cb 0.30 -0.03 0.12 0.00 -0.26 0.00 0.00 64.21 64.34 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 0.68 0.16 -0.25 7.33 0.04 -1.82 -3.14 116.94 119.94 3iae h PHE 263 Ca 0.00 -0.07 -0.11 0.00 2.80 0.00 0.00 57.97 60.59 3iae h PHE 263 Cb 0.15 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 3iae h PHE 263 CO 0.03 0.73 -0.30 0.00 -0.60 0.00 0.00 178.31 178.18 3iae h ALA 264 N 1.25 1.01 -0.24 2.45 0.00 -1.79 0.28 119.26 122.21 3iae h ALA 264 Ca -0.01 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 3iae h ALA 264 Cb 1.16 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3iae h ALA 264 CO 0.09 0.59 -0.57 0.87 0.00 0.00 0.00 179.25 180.24 3iae h LYS 265 N 0.45 0.76 -0.37 0.00 1.57 -1.82 -3.00 116.57 114.15 3iae h LYS 265 Ca 0.06 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3iae h LYS 265 Cb 0.75 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3iae h LYS 265 CO 0.06 1.12 0.00 0.00 -0.57 0.00 0.00 179.45 180.06 3iae n ALA 266 N -2.55 2.56 -2.81 3.86 0.00 -1.19 -4.87 120.51 115.50 3iae n ALA 266 Ca -0.04 -0.29 -0.18 0.00 0.00 0.00 0.00 53.44 52.93 3iae n ALA 266 Cb 0.63 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.08 3iae n ALA 266 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3iae n ASP 267 N -0.02 -4.50 -0.58 0.00 -0.08 -1.14 -4.87 116.55 105.37 3iae n ASP 267 Ca 0.05 -0.09 0.09 0.00 -1.51 0.00 0.00 54.79 53.33 3iae n ASP 267 Cb 0.21 -3.74 0.21 0.00 2.34 0.00 0.00 41.12 40.14 3iae n ASP 267 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3iae n ALA 268 N -2.83 2.77 -1.68 -1.67 0.00 0.90 -5.02 120.51 112.99 3iae n ALA 268 Ca -0.11 -2.49 -0.45 0.00 0.00 0.00 0.00 53.44 50.39 3iae n ALA 268 Cb 0.60 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.91 1.44 -1.52 0.00 0.00 -0.69 -4.80 120.51 114.02 3iae n ALA 269 Ca 0.20 0.30 -0.47 0.00 0.00 0.00 0.00 53.44 53.47 3iae n ALA 269 Cb 0.80 -2.54 -0.03 0.00 0.00 0.00 0.00 19.45 17.68 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 6.05 0.81 0.05 0.00 -0.02 -1.26 -4.92 135.00 135.71 3iae n PRO 270 Ca 0.20 0.28 -0.20 0.00 -2.02 0.00 0.00 63.50 61.76 3iae n PRO 270 Cb 0.34 -1.58 -0.13 0.00 -0.02 0.00 0.00 33.50 32.11 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 2.07 0.61 -4.21 2.55 3.58 -1.44 -3.40 116.42 116.18 3iae h ASP 271 Ca -0.37 -0.87 -0.39 0.00 0.42 0.00 0.00 57.03 55.82 3iae h ASP 271 Cb 1.38 -0.19 -0.27 0.00 1.72 0.00 0.00 39.33 41.97 3iae h ASP 271 CO 0.62 1.42 -0.78 -0.22 -2.88 0.00 0.00 179.24 177.40 3iae s LEU 272 N -7.99 2.09 -0.10 2.28 2.96 -1.19 -2.13 118.68 114.60 3iae s LEU 272 Ca -0.12 -0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 53.49 3iae s LEU 272 Cb 0.03 -0.46 0.02 0.00 0.50 0.00 0.00 46.19 46.28 3iae s LEU 272 CO 0.86 0.05 -0.06 0.54 -1.32 0.00 0.00 176.35 176.41 3iae s VAL 273 N -0.55 0.88 -0.50 1.68 0.11 -0.70 -1.04 120.40 120.28 3iae s VAL 273 Ca 0.01 -0.22 -0.15 0.00 -2.93 0.00 0.00 61.98 58.69 3iae s VAL 273 Cb -0.06 -0.91 0.10 0.00 -1.53 0.00 0.00 36.38 33.98 3iae s VAL 273 CO 0.00 0.34 0.44 -0.22 -3.33 0.00 0.00 175.10 172.33 3iae s LEU 274 N 1.59 5.88 -0.32 2.54 2.96 0.97 -1.31 118.68 130.99 3iae s LEU 274 Ca 0.02 -1.60 -0.20 0.00 -0.22 0.00 0.00 54.13 52.13 3iae s LEU 274 Cb -0.13 -2.18 -0.01 0.00 0.50 0.00 0.00 46.19 44.38 3iae s LEU 274 CO -0.06 -0.75 0.60 -0.04 -1.32 0.00 0.00 176.35 174.79 3iae s MET 275 N 1.59 3.84 -0.54 1.98 -1.94 0.67 -0.38 119.30 124.52 3iae s MET 275 Ca 0.04 0.19 0.01 0.00 -1.71 0.00 0.00 55.69 54.21 3iae s MET 275 Cb -0.27 -3.75 0.14 0.00 2.01 0.00 0.00 34.83 32.96 3iae s MET 275 CO 0.04 -0.59 0.31 -0.51 -0.01 0.00 0.00 175.02 174.26 3iae s LEU 276 N 2.57 4.79 0.00 -0.03 1.43 0.65 -0.68 118.68 127.41 3iae s LEU 276 Ca 0.24 -2.81 0.00 0.00 -1.03 0.00 0.00 54.13 50.53 3iae s LEU 276 Cb -0.15 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.33 3iae s LEU 276 CO 0.12 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.99 3iae n GLY 277 N 3.46 3.06 3.70 -3.19 0.00 -0.61 -0.72 105.19 110.89 3iae n GLY 277 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.87 3.42 0.25 4.61 0.00 -1.26 -4.17 121.76 122.73 3iae s ALA 278 Ca 0.00 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.73 3iae s ALA 278 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 3iae s ALA 278 CO 0.00 -0.56 0.41 1.03 0.00 0.00 0.00 175.76 176.64 3iae s ARG 279 N 1.51 3.47 -0.27 0.00 0.52 -1.26 -4.92 118.95 118.00 3iae s ARG 279 Ca 0.58 -0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 54.96 3iae s ARG 279 Cb -0.27 -2.83 -0.01 0.00 0.52 0.00 0.00 34.95 32.36 3iae s ARG 279 CO 0.26 0.36 1.38 -0.06 0.02 0.00 0.00 175.30 177.27 3iae s PHE 280 N -2.01 2.53 -0.84 -0.53 0.40 -1.26 -4.45 117.98 111.82 3iae s PHE 280 Ca 0.37 0.78 0.00 0.00 -0.60 0.00 0.00 56.93 57.48 3iae s PHE 280 Cb -0.10 -3.90 0.00 0.00 0.51 0.00 0.00 43.02 39.53 3iae s PHE 280 CO 0.31 -2.05 0.00 0.41 0.70 0.00 0.00 175.22 174.58 3iae n GLY 281 N 4.36 -0.70 0.22 4.36 0.00 -1.26 -4.87 105.19 107.31 3iae n GLY 281 Ca 0.16 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.12 -0.65 0.99 5.85 -1.94 0.87 115.31 120.30 3iae h LEU 282 Ca 0.00 0.12 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 3iae h LEU 282 Cb 0.00 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3iae h LEU 282 CO 0.00 -0.05 -0.67 0.78 -0.34 0.00 0.00 178.44 178.17 3iae h ASN 283 N 0.18 0.06 -0.48 1.25 2.35 -1.96 -3.19 115.58 113.79 3iae h ASN 283 Ca 0.30 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3iae h ASN 283 Cb 0.47 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3iae h ASN 283 CO -0.44 0.70 0.00 0.35 -1.65 0.00 0.00 177.43 176.39 3iae n THR 284 N -3.77 2.31 -2.38 2.81 -2.24 -0.99 -4.66 114.28 105.36 3iae n THR 284 Ca -0.01 -1.48 -0.10 0.00 -2.27 0.00 0.00 64.05 60.18 3iae n THR 284 Cb 0.66 -0.13 0.01 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.38 0.03 7.00 3.38 0.00 -0.70 -4.18 105.19 111.10 3iae n GLY 285 Ca 0.24 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.93 0.00 -1.71 1.61 8.25 0.29 -2.35 115.22 117.38 3iae n HIS 286 Ca -0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.21 3iae n HIS 286 Cb 0.57 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.79 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 5.74 0.10 -1.41 0.00 -1.26 -4.32 105.19 104.03 3iae n GLY 287 Ca 0.00 -2.02 -0.03 0.00 0.00 0.00 0.00 46.02 43.97 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 1.65 0.00 0.00 1.61 4.64 -1.79 -3.47 113.55 116.19 3iae h SER 288 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3iae h SER 288 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 3iae h SER 288 CO 0.66 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 177.97 3iae n GLY 289 N 1.37 0.76 0.17 -0.77 0.00 -1.25 -4.94 105.19 100.52 3iae n GLY 289 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 3.45 0.28 0.00 1.61 4.20 -1.91 -3.30 115.11 119.44 3iae h GLN 290 Ca 0.00 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.44 3iae h GLN 290 Cb 0.00 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3iae h GLN 290 CO 0.00 0.84 -1.05 1.28 -0.67 0.00 0.00 178.83 179.23 3iae n LEU 291 N -3.84 1.77 -4.45 1.46 4.77 -1.26 -4.16 117.00 111.29 3iae n LEU 291 Ca -0.03 0.29 -0.44 0.00 -0.03 0.00 0.00 56.01 55.81 3iae n LEU 291 Cb 0.66 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 3iae n LEU 291 CO 0.46 -0.23 0.34 -0.63 -1.33 0.00 0.00 177.39 176.00 3iae s ILE 292 N -2.70 4.87 0.59 -0.08 -1.09 -1.26 -4.84 121.20 116.69 3iae s ILE 292 Ca -0.25 -0.43 -0.19 0.00 -2.23 0.00 0.00 60.65 57.55 3iae s ILE 292 Cb 0.05 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.60 3iae s ILE 292 CO 0.36 -0.79 1.21 -2.84 -1.23 0.00 0.00 174.94 171.65 3iae s PRO 293 N 2.66 3.02 0.23 2.79 0.02 -1.24 -3.94 135.00 138.53 3iae s PRO 293 Ca 0.16 1.83 0.05 0.00 0.02 0.00 0.00 61.00 63.06 3iae s PRO 293 Cb -0.19 -1.96 0.23 0.00 0.02 0.00 0.00 34.50 32.61 3iae s PRO 293 CO 0.13 -1.17 1.54 0.45 -0.33 0.00 0.00 177.00 177.62 3iae h HIS 294 N 0.95 0.26 0.00 6.54 3.86 -1.92 -3.13 115.15 121.71 3iae h HIS 294 Ca -0.50 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 58.60 3iae h HIS 294 Cb 1.30 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.72 3iae h HIS 294 CO 0.47 0.78 0.00 0.66 0.86 0.00 0.00 177.93 180.70 3iae h SER 295 N 0.15 0.00 -3.93 2.45 4.64 -1.93 -3.45 113.55 111.46 3iae h SER 295 Ca -0.01 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.83 3iae h SER 295 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3iae h SER 295 CO 0.10 0.00 0.39 0.00 -0.87 0.00 0.00 176.83 176.45 3iae s ALA 296 N -3.39 3.14 -0.14 5.18 0.00 -1.18 -5.03 121.76 120.34 3iae s ALA 296 Ca 0.05 0.63 -0.26 0.00 0.00 0.00 0.00 51.96 52.38 3iae s ALA 296 Cb 0.08 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 3iae s ALA 296 CO 0.57 -0.06 0.85 -0.65 0.00 0.00 0.00 175.76 176.48 3iae s GLN 297 N -2.34 4.34 -0.22 0.00 -0.21 -0.91 -4.93 119.66 115.41 3iae s GLN 297 Ca 0.55 1.08 -0.05 0.00 0.02 0.00 0.00 55.36 56.96 3iae s GLN 297 Cb -0.21 -3.55 -0.02 0.00 1.00 0.00 0.00 33.01 30.23 3iae s GLN 297 CO 0.26 -0.27 0.01 0.08 -2.12 0.00 0.00 175.29 173.25 3iae s VAL 298 N 1.93 3.92 -0.35 1.09 1.01 -1.26 -1.72 120.40 125.02 3iae s VAL 298 Ca 0.40 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 3iae s VAL 298 Cb -0.17 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 3iae s VAL 298 CO 0.15 0.40 0.22 -0.63 0.00 0.00 0.00 175.10 175.24 3iae s ILE 299 N 1.29 4.99 -0.17 2.22 1.01 -0.43 -1.20 121.20 128.92 3iae s ILE 299 Ca 0.04 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 3iae s ILE 299 Cb -0.15 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 3iae s ILE 299 CO 0.01 -0.08 -0.11 -1.58 0.00 0.00 0.00 174.94 173.18 3iae s GLN 300 N 1.66 3.32 -0.20 2.79 0.74 -0.30 -0.24 119.66 127.43 3iae s GLN 300 Ca 0.05 -0.69 -0.02 0.00 0.05 0.00 0.00 55.36 54.75 3iae s GLN 300 Cb -0.18 -2.75 0.00 0.00 1.10 0.00 0.00 33.01 31.18 3iae s GLN 300 CO 0.09 0.01 -0.10 0.08 -0.55 0.00 0.00 175.29 174.81 3iae s VAL 301 N 0.89 2.93 -0.19 1.34 1.01 0.14 -1.07 120.40 125.45 3iae s VAL 301 Ca -0.03 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 3iae s VAL 301 Cb -0.15 -2.30 0.05 0.00 0.00 0.00 0.00 36.38 33.98 3iae s VAL 301 CO -0.00 0.47 0.49 -0.62 0.00 0.00 0.00 175.10 175.43 3iae s ASP 302 N 1.35 -0.53 0.36 3.32 -1.08 -0.89 -1.58 116.67 117.62 3iae s ASP 302 Ca 0.04 1.00 0.26 0.00 -0.52 0.00 0.00 52.55 53.33 3iae s ASP 302 Cb -0.14 0.98 1.27 0.00 -1.46 0.00 0.00 42.92 43.57 3iae s ASP 302 CO -0.06 -0.18 1.78 1.55 0.52 0.00 0.00 175.17 178.78 3iae h PRO 303 N 5.76 0.00 -4.93 4.34 0.13 -1.78 -3.21 132.00 132.30 3iae h PRO 303 Ca -0.29 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.18 3iae h PRO 303 Cb 1.18 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.06 3iae h PRO 303 CO 0.21 0.00 -0.66 0.34 -0.23 0.00 0.00 178.00 177.67 3iae s ASP 304 N -4.33 4.85 0.38 1.44 3.68 -1.26 -4.71 116.67 116.73 3iae s ASP 304 Ca -0.00 -0.38 0.11 0.00 2.13 0.00 0.00 52.55 54.41 3iae s ASP 304 Cb 0.08 -1.85 0.77 0.00 -1.45 0.00 0.00 42.92 40.47 3iae s ASP 304 CO 0.30 -0.06 1.88 0.00 0.13 0.00 0.00 175.17 177.42 3iae h ALA 305 N 8.19 1.46 -0.96 3.66 0.00 -1.97 -2.76 119.26 126.89 3iae h ALA 305 Ca -0.38 -0.26 0.16 0.00 0.00 0.00 0.00 54.91 54.43 3iae h ALA 305 Cb 1.16 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 3iae h ALA 305 CO 0.59 0.39 0.61 0.00 0.00 0.00 0.00 179.25 180.84 3iae h GLU 307 N 0.75 0.00 -5.49 0.00 4.39 -1.89 -3.39 114.58 108.94 3iae h GLU 307 Ca 0.51 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 60.08 3iae h GLU 307 Cb 0.80 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 3iae h GLU 307 CO -0.28 0.04 0.33 -0.51 -1.16 0.00 0.00 179.01 177.43 3iae s LEU 308 N -6.25 2.99 -0.56 1.33 1.02 -0.67 -2.85 118.68 113.69 3iae s LEU 308 Ca 0.04 -0.18 -0.04 0.00 0.02 0.00 0.00 54.13 53.97 3iae s LEU 308 Cb 0.07 -2.55 0.00 0.00 0.02 0.00 0.00 46.19 43.73 3iae s LEU 308 CO 0.62 -3.44 0.49 0.61 0.02 0.00 0.00 176.35 174.65 3iae n GLY 309 N 6.80 0.33 0.19 -3.19 0.00 -1.26 -4.96 105.19 103.09 3iae n GLY 309 Ca 0.44 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 46.22 3iae n GLY 309 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3iae h ARG 310 N -1.12 0.00 0.00 1.61 0.11 -1.71 -3.25 114.38 110.02 3iae h ARG 310 Ca -0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.84 3iae h ARG 310 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 3iae h ARG 310 CO 0.23 0.38 0.00 1.28 0.10 0.00 0.00 179.97 181.96 3iae n LEU 311 N -3.73 0.72 -3.63 0.08 4.77 -1.26 -5.06 117.00 108.89 3iae n LEU 311 Ca -0.01 -0.85 -0.16 0.00 -0.03 0.00 0.00 56.01 54.96 3iae n LEU 311 Cb 0.46 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 3iae n LEU 311 CO 0.37 0.18 0.27 -1.58 -1.33 0.00 0.00 177.39 175.31 3iae s GLN 312 N -0.27 0.85 0.18 3.23 0.74 -1.23 -4.46 119.66 118.70 3iae s GLN 312 Ca 0.00 0.26 -0.31 0.00 0.05 0.00 0.00 55.36 55.37 3iae s GLN 312 Cb 0.00 0.40 -0.09 0.00 1.10 0.00 0.00 33.01 34.42 3iae s GLN 312 CO 0.00 -0.23 1.42 0.20 -0.55 0.00 0.00 175.29 176.13 3iae s GLY 313 N -0.86 2.10 0.27 2.59 0.00 -1.26 -4.47 107.32 105.68 3iae s GLY 313 Ca -0.09 1.22 0.12 0.00 0.00 0.00 0.00 44.72 45.97 3iae s GLY 313 CO 0.06 2.32 -0.19 -0.26 0.00 0.00 0.00 173.10 175.03 3iae s ILE 314 N 0.59 2.55 -0.07 0.90 -4.36 -1.26 -4.75 121.20 114.79 3iae s ILE 314 Ca 0.62 -2.31 0.10 0.00 -0.26 0.00 0.00 60.65 58.80 3iae s ILE 314 Cb -0.39 -2.32 -0.24 0.00 1.25 0.00 0.00 42.46 40.76 3iae s ILE 314 CO 0.36 -0.36 0.57 0.00 0.24 0.00 0.00 174.94 175.75 3iae n ALA 315 N -0.52 1.41 -3.70 2.27 0.00 -0.34 -4.90 120.51 114.73 3iae n ALA 315 Ca -0.06 -0.78 -0.11 0.00 0.00 0.00 0.00 53.44 52.48 3iae n ALA 315 Cb 0.59 -0.77 -0.12 0.00 0.00 0.00 0.00 19.45 19.16 3iae n ALA 315 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3iae s LEU 316 N -6.19 0.03 -0.22 0.00 2.96 -0.89 -5.01 118.68 109.36 3iae s LEU 316 Ca -0.08 0.76 0.01 0.00 -0.22 0.00 0.00 54.13 54.60 3iae s LEU 316 Cb 0.08 1.11 0.05 0.00 0.50 0.00 0.00 46.19 47.92 3iae s LEU 316 CO 0.81 -0.19 -0.10 -0.83 -1.32 0.00 0.00 176.35 174.73 3iae s GLY 317 N 1.48 1.38 -0.19 7.98 0.00 -1.26 -1.14 107.32 115.56 3iae s GLY 317 Ca -0.08 -1.39 -0.03 0.00 0.00 0.00 0.00 44.72 43.21 3iae s GLY 317 CO -0.11 0.71 -0.06 -0.42 0.00 0.00 0.00 173.10 173.22 3iae s ILE 318 N 1.31 3.32 -0.47 0.90 1.01 -0.23 -5.02 121.20 122.01 3iae s ILE 318 Ca -0.04 -0.53 -0.22 0.00 0.00 0.00 0.00 60.65 59.86 3iae s ILE 318 Cb -0.18 -2.48 0.03 0.00 0.01 0.00 0.00 42.46 39.85 3iae s ILE 318 CO -0.07 0.45 0.76 0.54 0.00 0.00 0.00 174.94 176.62 3iae s VAL 319 N 1.14 4.67 0.25 2.92 0.11 -1.26 -2.09 120.40 126.14 3iae s VAL 319 Ca 0.02 0.20 -0.22 0.00 -2.93 0.00 0.00 61.98 59.05 3iae s VAL 319 Cb -0.14 -4.33 0.04 0.00 -1.53 0.00 0.00 36.38 30.41 3iae s VAL 319 CO -0.01 -0.78 0.80 0.00 -3.33 0.00 0.00 175.10 171.78 3iae s ALA 320 N 3.22 -1.31 0.23 1.54 0.00 -1.21 -4.89 121.76 119.34 3iae s ALA 320 Ca 0.26 -0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.70 3iae s ALA 320 Cb -0.14 0.77 -0.09 0.00 0.00 0.00 0.00 23.12 23.67 3iae s ALA 320 CO 0.20 -1.04 1.06 0.34 0.00 0.00 0.00 175.76 176.32 3iae s ASP 321 N -2.95 7.36 0.11 0.00 2.15 -0.30 -2.50 116.67 120.54 3iae s ASP 321 Ca 0.12 2.13 -0.15 0.00 0.43 0.00 0.00 52.55 55.08 3iae s ASP 321 Cb -0.05 -2.62 -0.05 0.00 -0.30 0.00 0.00 42.92 39.91 3iae s ASP 321 CO 0.06 -0.10 1.50 0.58 -0.17 0.00 0.00 175.17 177.04 3iae h VAL 322 N 3.33 1.28 -0.88 1.11 2.07 -1.87 -0.76 116.25 120.54 3iae h VAL 322 Ca -0.45 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 65.86 3iae h VAL 322 Cb 1.21 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 3iae h VAL 322 CO 0.69 0.39 0.49 1.23 0.02 0.00 0.00 177.57 180.39 3iae h GLY 323 N 0.48 1.31 1.47 2.17 0.00 -1.92 -0.30 103.07 106.27 3iae h GLY 323 Ca 0.09 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 46.71 3iae h GLY 323 CO 0.04 0.56 -0.34 -1.33 0.00 0.00 0.00 176.54 175.47 3iae h GLY 324 N 1.24 0.65 0.67 4.60 0.00 -1.74 -2.16 103.07 106.34 3iae h GLY 324 Ca 0.31 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3iae h GLY 324 CO -0.05 0.55 -0.04 -0.84 0.00 0.00 0.00 176.54 176.16 3iae h THR 325 N 0.50 1.32 -0.72 4.70 2.02 -0.72 -0.40 112.91 119.62 3iae h THR 325 Ca 0.06 -1.04 0.06 0.00 0.77 0.00 0.00 66.41 66.25 3iae h THR 325 Cb 0.83 1.85 -0.06 0.00 -1.74 0.00 0.00 68.15 69.03 3iae h THR 325 CO 0.07 0.29 0.42 0.40 0.37 0.00 0.00 175.52 177.07 3iae h ILE 326 N -0.21 1.00 -0.64 3.11 2.04 -1.09 0.45 117.51 122.18 3iae h ILE 326 Ca 0.02 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.65 3iae h ILE 326 Cb 0.48 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 3iae h ILE 326 CO 0.01 0.14 0.38 -0.08 0.00 0.00 0.00 178.15 178.61 3iae h GLU 327 N 0.78 0.72 -0.41 2.37 4.57 -1.33 -1.37 114.58 119.91 3iae h GLU 327 Ca 0.32 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 58.31 3iae h GLU 327 Cb 0.17 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3iae h GLU 327 CO -0.17 0.48 -0.32 0.00 -1.18 0.00 0.00 179.01 177.81 3iae h ALA 328 N 1.29 0.59 -0.68 2.92 0.00 0.09 -1.74 119.26 121.73 3iae h ALA 328 Ca 0.26 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3iae h ALA 328 Cb 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3iae h ALA 328 CO -0.12 0.65 0.17 -0.07 0.00 0.00 0.00 179.25 179.88 3iae h LEU 329 N 0.76 1.02 -0.30 0.00 3.38 0.02 -1.80 115.31 118.38 3iae h LEU 329 Ca 0.07 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 3iae h LEU 329 Cb 0.91 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3iae h LEU 329 CO 0.08 0.98 -0.12 0.00 0.09 0.00 0.00 178.44 179.48 3iae h ALA 330 N 1.15 0.42 -0.47 1.53 0.00 -1.21 -2.57 119.26 118.11 3iae h ALA 330 Ca 0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3iae h ALA 330 Cb 0.35 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3iae h ALA 330 CO 0.00 0.29 0.25 0.37 0.00 0.00 0.00 179.25 180.16 3iae h GLN 331 N 0.37 0.67 -0.27 0.00 4.15 -1.17 -1.71 115.11 117.15 3iae h GLN 331 Ca 0.07 -0.09 -0.13 0.00 0.77 0.00 0.00 58.65 59.27 3iae h GLN 331 Cb 0.62 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 3iae h GLN 331 CO 0.04 0.54 -0.38 0.00 -1.93 0.00 0.00 178.83 177.10 3iae h ALA 332 N 1.09 0.84 -0.00 3.38 0.00 -1.38 -3.14 119.26 120.04 3iae h ALA 332 Ca 0.16 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3iae h ALA 332 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3iae h ALA 332 CO -0.02 0.64 -0.17 -2.37 0.00 0.00 0.00 179.25 177.32 3iae n THR 333 N -4.04 0.00 0.22 0.00 5.66 -0.97 -3.65 114.28 111.49 3iae n THR 333 Ca -0.01 -0.06 0.10 0.00 -3.05 0.00 0.00 64.05 61.03 3iae n THR 333 Cb 0.51 -0.01 0.39 0.00 -1.55 0.00 0.00 70.33 69.67 3iae n THR 333 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3iae h ALA 334 N 3.48 0.96 -0.01 1.79 0.00 -1.26 -3.22 119.26 121.01 3iae h ALA 334 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3iae h ALA 334 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3iae h ALA 334 CO 0.00 0.26 -0.31 0.00 0.00 0.00 0.00 179.25 179.20 3iae n GLN 335 N -3.29 2.45 0.10 0.00 10.64 -1.24 -4.75 117.38 121.29 3iae n GLN 335 Ca 0.01 -0.45 -0.04 0.00 -1.83 0.00 0.00 57.00 54.68 3iae n GLN 335 Cb 0.47 -1.08 -0.02 0.00 -0.86 0.00 0.00 30.24 28.75 3iae n GLN 335 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 3iae h ASP 336 N 0.88 -0.24 -6.39 2.61 -0.00 -1.63 -3.48 116.42 108.17 3iae h ASP 336 Ca 0.00 0.01 -0.48 0.00 -0.00 0.00 0.00 57.03 56.56 3iae h ASP 336 Cb 0.34 0.06 -0.04 0.00 -0.00 0.00 0.00 39.33 39.69 3iae h ASP 336 CO 0.00 -0.01 -0.84 0.00 -0.00 0.00 0.00 179.24 178.40 3iae n ALA 337 N -2.40 -1.76 -2.73 -0.78 0.00 -1.26 -4.90 120.51 106.67 3iae n ALA 337 Ca -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.26 3iae n ALA 337 Cb 0.11 -2.47 0.08 0.00 0.00 0.00 0.00 19.45 17.18 3iae n ALA 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iae n ALA 338 N -4.42 2.63 -2.60 0.00 0.00 -1.26 -5.13 120.51 109.72 3iae n ALA 338 Ca -0.19 -2.01 -0.37 0.00 0.00 0.00 0.00 53.44 50.88 3iae n ALA 338 Cb 0.63 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.79 3.66 0.79 0.00 0.52 -1.26 -5.08 118.94 115.78 3iae s TRP 339 Ca 0.20 0.84 -0.14 0.00 0.02 0.00 0.00 56.10 57.01 3iae s TRP 339 Cb 0.40 -2.18 0.04 0.00 -1.15 0.00 0.00 33.47 30.58 3iae s TRP 339 CO -0.07 0.63 0.93 -2.30 0.02 0.00 0.00 176.95 176.16 3iae n PRO 340 N 1.57 0.23 0.21 4.98 -0.02 -1.26 -4.99 135.00 135.72 3iae n PRO 340 Ca -0.13 0.14 -0.09 0.00 -2.02 0.00 0.00 63.50 61.40 3iae n PRO 340 Cb 0.53 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.76 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 -0.73 -0.48 -1.67 2.55 3.58 -1.98 -3.46 116.42 114.24 3iae h ASP 341 Ca -0.46 0.02 -0.41 0.00 0.42 0.00 0.00 57.03 56.59 3iae h ASP 341 Cb 1.31 0.12 -0.11 0.00 1.72 0.00 0.00 39.33 42.38 3iae h ASP 341 CO 0.44 -0.27 -0.43 0.54 -2.88 0.00 0.00 179.24 176.65 3iae n ARG 342 N -3.93 -1.49 -0.06 0.28 1.74 -1.26 -4.85 116.66 107.09 3iae n ARG 342 Ca -0.07 1.13 -0.03 0.00 -0.77 0.00 0.00 57.85 58.12 3iae n ARG 342 Cb 0.22 -5.59 0.22 0.00 -1.02 0.00 0.00 32.46 26.29 3iae n ARG 342 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3iae h GLY 343 N 0.00 0.73 1.28 -0.13 0.00 -1.91 -1.65 103.07 101.39 3iae h GLY 343 Ca -0.44 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.33 3iae h GLY 343 CO 0.59 0.43 -0.11 -0.55 0.00 0.00 0.00 176.54 176.90 3iae h ASP 344 N 0.64 0.84 -0.08 0.19 3.32 -1.99 -1.18 116.42 118.16 3iae h ASP 344 Ca 0.13 -0.26 -0.16 0.00 0.02 0.00 0.00 57.03 56.76 3iae h ASP 344 Cb 0.41 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3iae h ASP 344 CO 0.02 0.97 -0.50 -0.25 -1.72 0.00 0.00 179.24 177.76 3iae h TRP 345 N 0.76 0.80 0.00 4.55 -0.00 -1.88 -1.61 115.95 118.57 3iae h TRP 345 Ca 0.12 -0.27 -0.07 0.00 -0.00 0.00 0.00 58.89 58.68 3iae h TRP 345 Cb 0.62 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.16 29.61 3iae h TRP 345 CO 0.03 1.01 -0.34 0.00 -0.00 0.00 0.00 178.44 179.15 3iae h ALA 347 N 1.66 0.38 -0.40 0.00 0.00 -1.03 -3.22 119.26 116.65 3iae h ALA 347 Ca -0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 54.91 54.05 3iae h ALA 347 Cb 0.70 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3iae h ALA 347 CO 0.04 0.84 -0.30 -0.22 0.00 0.00 0.00 179.25 179.61 3iae h LYS 348 N 0.21 0.90 -0.26 0.00 3.64 -1.02 -1.44 116.57 118.60 3iae h LYS 348 Ca -0.08 -0.44 -0.08 0.00 -1.27 0.00 0.00 60.65 58.78 3iae h LYS 348 Cb 1.58 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.39 3iae h LYS 348 CO 0.16 1.09 -0.19 -0.39 -2.27 0.00 0.00 179.45 177.85 3iae h VAL 349 N 0.72 1.24 -0.10 2.00 -1.51 -1.55 -1.25 116.25 115.80 3iae h VAL 349 Ca 0.08 -1.12 -0.19 0.00 -1.23 0.00 0.00 66.70 64.23 3iae h VAL 349 Cb 0.88 1.26 0.01 0.00 -2.13 0.00 0.00 31.29 31.30 3iae h VAL 349 CO 0.08 0.36 -0.69 0.74 -1.23 0.00 0.00 177.57 176.83 3iae h THR 350 N 0.41 1.32 -0.58 7.19 2.02 -1.54 -2.62 112.91 119.12 3iae h THR 350 Ca 0.07 -1.95 -0.08 0.00 0.77 0.00 0.00 66.41 65.22 3iae h THR 350 Cb 0.57 2.16 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 3iae h THR 350 CO 0.04 0.60 0.04 0.44 0.37 0.00 0.00 175.52 177.01 3iae h ASP 351 N 0.31 0.93 0.02 4.18 3.45 -1.13 -1.01 116.42 123.17 3iae h ASP 351 Ca -0.06 -0.23 -0.11 0.00 0.43 0.00 0.00 57.03 57.06 3iae h ASP 351 Cb 1.33 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.84 3iae h ASP 351 CO 0.14 0.96 -0.35 -0.07 -1.57 0.00 0.00 179.24 178.36 3iae h LEU 352 N 0.90 0.47 -0.59 1.55 3.38 -1.28 0.20 115.31 119.94 3iae h LEU 352 Ca 0.17 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3iae h LEU 352 Cb 0.47 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3iae h LEU 352 CO 0.02 0.79 -0.33 0.00 0.09 0.00 0.00 178.44 179.01 3iae h ALA 353 N 1.24 0.78 -0.38 1.53 0.00 -1.26 -2.72 119.26 118.45 3iae h ALA 353 Ca 0.04 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 3iae h ALA 353 Cb 0.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3iae h ALA 353 CO 0.06 0.65 -0.36 0.37 0.00 0.00 0.00 179.25 179.97 3iae h GLN 354 N 0.63 0.88 -0.84 0.00 5.75 -0.94 -2.64 115.11 117.96 3iae h GLN 354 Ca 0.07 -0.45 0.10 0.00 -0.15 0.00 0.00 58.65 58.22 3iae h GLN 354 Cb 0.87 0.01 -0.08 0.00 1.07 0.00 0.00 27.48 29.35 3iae h GLN 354 CO 0.08 1.09 0.48 1.49 -2.65 0.00 0.00 178.83 179.32 3iae h GLU 355 N 0.73 0.77 0.19 1.69 4.57 -0.54 0.10 114.58 122.09 3iae h GLU 355 Ca 0.07 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3iae h GLU 355 Cb 0.94 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 3iae h GLU 355 CO 0.09 0.51 -0.09 -0.09 -1.18 0.00 0.00 179.01 178.25 3iae h ARG 356 N 0.80 -0.24 -0.83 1.92 2.43 -1.40 -2.48 114.38 114.57 3iae h ARG 356 Ca 0.41 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.57 3iae h ARG 356 Cb 0.39 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 3iae h ARG 356 CO -0.26 0.03 0.43 -0.92 -1.51 0.00 0.00 179.97 177.75 3iae h TYR 357 N -0.51 1.16 -0.01 2.20 3.20 -1.10 -2.46 116.97 119.44 3iae h TYR 357 Ca -0.03 -0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.69 3iae h TYR 357 Cb 0.39 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 3iae h TYR 357 CO 0.01 0.82 -0.55 0.00 -1.64 0.00 0.00 178.16 176.80 3iae h ALA 358 N 1.23 1.07 -0.39 1.82 0.00 -0.86 -2.42 119.26 119.71 3iae h ALA 358 Ca 0.29 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 3iae h ALA 358 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3iae h ALA 358 CO -0.04 0.69 -0.33 1.03 0.00 0.00 0.00 179.25 180.60 3iae h SER 359 N 0.02 0.97 -0.42 0.00 0.87 -1.12 -2.80 113.55 111.08 3iae h SER 359 Ca -0.00 -0.45 -0.14 0.00 -1.23 0.00 0.00 61.79 59.96 3iae h SER 359 Cb 0.98 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 3iae h SER 359 CO 0.07 1.21 -0.30 0.40 -0.53 0.00 0.00 176.83 177.69 3iae h ILE 360 N 0.73 1.27 -0.79 2.23 1.08 -1.38 -3.12 117.51 117.53 3iae h ILE 360 Ca 0.07 -1.46 -0.02 0.00 -0.39 0.00 0.00 64.86 63.05 3iae h ILE 360 Cb 0.92 1.25 -0.04 0.00 -3.07 0.00 0.00 36.82 35.88 3iae h ILE 360 CO 0.08 0.50 0.41 0.00 -0.69 0.00 0.00 178.15 178.45 3iae h ALA 361 N 0.85 1.23 0.00 1.87 0.00 -1.43 -2.39 119.26 119.40 3iae h ALA 361 Ca 0.09 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3iae h ALA 361 Cb 0.88 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3iae h ALA 361 CO 0.08 0.61 -0.33 0.00 0.00 0.00 0.00 179.25 179.61 3iae h ALA 362 N 1.34 1.11 -0.00 0.00 0.00 -1.48 -2.99 119.26 117.24 3iae h ALA 362 Ca 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iae h ALA 362 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3iae h ALA 362 CO -0.04 0.41 -0.47 1.63 0.00 0.00 0.00 179.25 180.78 3iae n LYS 363 N -3.65 0.44 -3.60 0.00 5.02 -0.99 -4.92 118.16 110.46 3iae n LYS 363 Ca -0.01 -0.28 -0.37 0.00 -2.02 0.00 0.00 58.31 55.63 3iae n LYS 363 Cb 0.44 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.89 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 -2.76 6.50 -0.06 4.39 0.01 -0.93 -5.09 113.70 115.76 3iae s SER 364 Ca 0.16 0.59 -0.03 0.00 1.31 0.00 0.00 55.95 57.98 3iae s SER 364 Cb 0.18 -2.17 0.03 0.00 0.21 0.00 0.00 66.02 64.27 3iae s SER 364 CO 0.64 0.21 0.14 -0.55 0.41 0.00 0.00 173.24 174.09 3iae s SER 365 N -0.16 -0.11 -0.52 2.44 0.15 -1.26 -4.98 113.70 109.26 3iae s SER 365 Ca 0.17 0.28 0.02 0.00 0.70 0.00 0.00 55.95 57.12 3iae s SER 365 Cb -0.13 0.20 0.44 0.00 -1.71 0.00 0.00 66.02 64.82 3iae s SER 365 CO 0.06 -0.12 1.65 -1.20 1.20 0.00 0.00 173.24 174.83 3iae n SER 366 N 3.86 6.44 0.05 5.45 7.64 -1.26 -4.32 113.62 131.47 3iae n SER 366 Ca -0.22 -3.77 -0.11 0.00 1.01 0.00 0.00 58.87 55.77 3iae n SER 366 Cb 0.54 -0.71 0.01 0.00 -1.01 0.00 0.00 64.21 63.04 3iae n SER 366 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3iae h GLU 367 N 2.18 0.43 0.00 1.43 4.22 -2.00 -3.39 114.58 117.45 3iae h GLU 367 Ca 0.49 -0.36 -0.18 0.00 0.08 0.00 0.00 59.36 59.39 3iae h GLU 367 Cb 1.04 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 3iae h GLU 367 CO 1.22 1.00 -1.47 0.72 -2.18 0.00 0.00 179.01 178.31 3iae n HIS 368 N -3.83 0.00 -4.19 0.92 8.25 -1.26 -5.06 115.22 110.04 3iae n HIS 368 Ca -0.05 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.24 3iae n HIS 368 Cb 0.73 -0.50 -0.11 0.00 1.12 0.00 0.00 29.99 31.23 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 -2.40 1.25 -0.01 -1.41 0.00 -1.26 -5.10 121.76 112.82 3iae s ALA 369 Ca -0.22 -1.16 -0.30 0.00 0.00 0.00 0.00 51.96 50.29 3iae s ALA 369 Cb 0.07 -0.05 -0.08 0.00 0.00 0.00 0.00 23.12 23.06 3iae s ALA 369 CO 0.28 0.07 1.98 -1.17 0.00 0.00 0.00 175.76 176.93 3iae s LEU 370 N -2.21 4.26 0.16 0.00 2.96 -1.26 -4.34 118.68 118.25 3iae s LEU 370 Ca 0.04 2.50 -0.30 0.00 -0.22 0.00 0.00 54.13 56.15 3iae s LEU 370 Cb -0.06 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 43.03 3iae s LEU 370 CO 0.02 -1.20 1.23 -2.28 -1.32 0.00 0.00 176.35 172.81 3iae s HIS 371 N 5.06 3.38 0.41 5.38 5.65 -1.26 -0.37 115.29 133.55 3iae s HIS 371 Ca 0.89 1.32 0.17 0.00 0.25 0.00 0.00 55.06 57.69 3iae s HIS 371 Cb -0.40 -3.48 1.06 0.00 -1.18 0.00 0.00 32.58 28.58 3iae s HIS 371 CO 0.40 -1.44 1.85 -1.35 -0.65 0.00 0.00 174.74 173.55 3iae h PRO 372 N 5.72 0.41 -0.34 2.88 0.11 -1.93 -0.72 132.00 138.14 3iae h PRO 372 Ca -0.44 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.48 3iae h PRO 372 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3iae h PRO 372 CO 0.77 0.27 -0.46 0.35 -0.21 0.00 0.00 178.00 178.73 3iae h PHE 373 N 0.43 1.11 -0.52 0.65 3.04 -1.92 -0.72 116.94 119.01 3iae h PHE 373 Ca 0.47 -0.36 -0.09 0.00 3.98 0.00 0.00 57.97 61.97 3iae h PHE 373 Cb 1.14 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 39.41 3iae h PHE 373 CO -0.00 1.19 -0.02 0.45 -2.02 0.00 0.00 178.31 177.91 3iae h HIS 374 N 0.72 0.97 -0.52 0.41 3.86 -1.65 -1.69 115.15 117.25 3iae h HIS 374 Ca 0.04 -0.16 -0.06 0.00 -1.16 0.00 0.00 60.37 59.04 3iae h HIS 374 Cb 1.06 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 29.25 3iae h HIS 374 CO 0.07 0.89 0.08 0.00 0.86 0.00 0.00 177.93 179.83 3iae h ALA 375 N 1.14 1.18 -0.25 2.45 0.00 -1.08 -2.75 119.26 119.95 3iae h ALA 375 Ca 0.15 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3iae h ALA 375 Cb 0.52 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3iae h ALA 375 CO 0.03 0.55 -0.26 0.77 0.00 0.00 0.00 179.25 180.34 3iae h SER 376 N 0.77 0.49 -0.56 0.00 0.02 -0.79 -3.13 113.55 110.35 3iae h SER 376 Ca 0.16 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 3iae h SER 376 Cb 0.35 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3iae h SER 376 CO 0.01 0.74 0.01 1.56 -1.14 0.00 0.00 176.83 178.01 3iae h GLN 377 N 0.43 0.98 -0.49 3.45 4.20 -1.04 -1.74 115.11 120.90 3iae h GLN 377 Ca 0.06 -0.31 0.06 0.00 0.06 0.00 0.00 58.65 58.53 3iae h GLN 377 Cb 0.68 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 3iae h GLN 377 CO 0.05 0.97 0.18 0.28 -0.67 0.00 0.00 178.83 179.64 3iae h VAL 378 N 0.86 0.85 -0.07 -0.54 2.07 -1.45 -1.79 116.25 116.18 3iae h VAL 378 Ca 0.16 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3iae h VAL 378 Cb 0.53 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3iae h VAL 378 CO 0.03 0.07 0.03 0.40 0.02 0.00 0.00 177.57 178.11 3iae h ILE 379 N 0.36 1.14 -0.98 4.57 2.04 -1.52 -3.11 117.51 120.00 3iae h ILE 379 Ca 0.23 -0.43 0.23 0.00 1.00 0.00 0.00 64.86 65.89 3iae h ILE 379 Cb 0.23 1.29 -0.09 0.00 -0.74 0.00 0.00 36.82 37.52 3iae h ILE 379 CO -0.23 0.12 0.63 0.00 0.00 0.00 0.00 178.15 178.67 3iae h ALA 380 N 0.87 2.10 0.00 1.87 0.00 -0.86 0.55 119.26 123.79 3iae h ALA 380 Ca 0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3iae h ALA 380 Cb 0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3iae h ALA 380 CO -0.00 -0.45 -0.01 0.87 0.00 0.00 0.00 179.25 179.65 3iae h LYS 381 N 0.48 0.00 -0.18 0.00 1.79 -1.27 -2.11 116.57 115.29 3iae h LYS 381 Ca 0.54 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.01 3iae h LYS 381 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 3iae h LYS 381 CO -0.27 0.01 0.00 0.72 -1.08 0.00 0.00 179.45 178.83 3iae n HIS 382 N -3.29 0.21 -3.32 -1.35 8.25 0.18 -4.96 115.22 110.94 3iae n HIS 382 Ca -0.03 -0.14 -0.40 0.00 -0.26 0.00 0.00 57.72 56.90 3iae n HIS 382 Cb 0.11 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.13 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 -1.42 5.10 0.00 1.59 1.01 -0.80 -4.88 120.40 121.00 3iae s VAL 383 Ca 0.27 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.68 3iae s VAL 383 Cb 0.17 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3iae s VAL 383 CO 0.25 -0.03 0.00 -0.90 0.00 0.00 0.00 175.10 174.41 3iae n ASP 384 N 5.51 0.00 0.26 3.32 5.68 -1.26 -4.32 116.55 125.74 3iae n ASP 384 Ca -0.07 -0.55 0.18 0.00 -0.50 0.00 0.00 54.79 53.85 3iae n ASP 384 Cb 0.50 0.00 0.88 0.00 -1.14 0.00 0.00 41.12 41.36 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 1.28 1.00 -0.45 2.12 0.00 -1.64 -0.99 119.26 120.59 3iae h ALA 385 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3iae n GLY 386 N -0.82 1.34 2.97 0.00 0.00 -1.26 -3.85 105.19 103.57 3iae n GLY 386 Ca -0.01 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.48 0.80 -0.25 1.61 1.01 -0.47 -1.15 120.40 120.47 3iae s VAL 387 Ca 0.31 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 3iae s VAL 387 Cb 0.17 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 3iae s VAL 387 CO 0.20 0.27 0.14 -0.89 0.00 0.00 0.00 175.10 174.82 3iae s THR 388 N 0.56 5.10 -0.26 3.92 2.01 0.20 -0.44 115.64 126.72 3iae s THR 388 Ca -0.09 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 3iae s THR 388 Cb -0.13 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 3iae s THR 388 CO 0.01 0.33 0.17 -0.69 -0.69 0.00 0.00 174.62 173.76 3iae s VAL 389 N 1.28 5.30 -0.17 3.82 1.01 0.61 -0.61 120.40 131.64 3iae s VAL 389 Ca 0.07 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 3iae s VAL 389 Cb -0.14 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 3iae s VAL 389 CO 0.06 0.29 -0.02 -0.69 0.00 0.00 0.00 175.10 174.74 3iae s VAL 390 N 1.48 3.95 -0.15 2.92 1.01 0.37 -0.61 120.40 129.36 3iae s VAL 390 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3iae s VAL 390 Cb -0.15 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 3iae s VAL 390 CO 0.08 0.47 -0.15 0.00 0.00 0.00 0.00 175.10 175.50 3iae s ALA 391 N 0.62 2.51 0.00 5.51 0.00 0.04 0.11 121.76 130.54 3iae s ALA 391 Ca -0.01 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3iae s ALA 391 Cb -0.14 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.75 3iae s ALA 391 CO 0.02 -0.01 0.00 -3.47 0.00 0.00 0.00 175.76 172.30 3iae n ASP 392 N 4.03 1.37 -0.35 0.00 -0.08 0.59 -3.87 116.55 118.23 3iae n ASP 392 Ca -0.19 -0.54 0.02 0.00 -1.51 0.00 0.00 54.79 52.56 3iae n ASP 392 Cb 0.52 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.97 3iae n ASP 392 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3iae n GLY 393 N 3.44 -1.86 0.81 0.27 0.00 -1.26 -3.43 105.19 103.15 3iae n GLY 393 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.39 2.75 -0.16 4.61 0.00 -1.26 -4.44 120.51 121.62 3iae n ALA 394 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3iae n ALA 394 Cb 0.06 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.85 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 0.67 -0.24 0.00 3.38 -1.94 -1.98 115.31 115.19 3iae h LEU 395 Ca 0.00 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3iae h LEU 395 Cb 0.00 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 3iae h LEU 395 CO 0.00 0.45 -0.18 0.74 0.09 0.00 0.00 178.44 179.54 3iae h THR 396 N 0.77 0.51 0.03 0.22 2.02 -1.85 -0.10 112.91 114.51 3iae h THR 396 Ca 0.28 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 67.24 3iae h THR 396 Cb 0.15 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3iae h THR 396 CO -0.08 0.00 -0.99 0.10 0.37 0.00 0.00 175.52 174.92 3iae h TYR 397 N -0.17 0.35 -0.36 3.16 -0.00 -1.52 -2.17 116.97 116.27 3iae h TYR 397 Ca 0.14 -0.22 -0.06 0.00 0.00 0.00 0.00 58.73 58.59 3iae h TYR 397 Cb 0.38 -0.03 -0.02 0.00 0.00 0.00 0.00 36.73 37.06 3iae h TYR 397 CO -0.34 1.08 -0.03 -0.07 -0.00 0.00 0.00 178.16 178.79 3iae h LEU 398 N 0.10 0.56 -0.07 0.10 3.38 -1.20 -0.40 115.31 117.78 3iae h LEU 398 Ca -0.07 -0.12 -0.25 0.00 0.09 0.00 0.00 57.88 57.53 3iae h LEU 398 Cb 1.66 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 42.28 3iae h LEU 398 CO 0.15 0.65 -0.95 -0.50 0.09 0.00 0.00 178.44 177.88 3iae h TRP 399 N 0.55 1.01 -0.21 1.13 4.06 -1.03 -3.32 115.95 118.14 3iae h TRP 399 Ca 0.11 -0.52 -0.08 0.00 2.06 0.00 0.00 58.89 60.47 3iae h TRP 399 Cb 0.40 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.42 3iae h TRP 399 CO 0.02 1.35 -0.22 1.25 -3.56 0.00 0.00 178.44 177.28 3iae h LEU 400 N 0.43 0.37 -2.74 -4.49 5.85 -1.07 -2.80 115.31 110.86 3iae h LEU 400 Ca -0.10 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 3iae h LEU 400 Cb 1.59 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.52 3iae h LEU 400 CO 0.19 0.61 -0.00 0.77 -0.34 0.00 0.00 178.44 179.66 3iae h SER 401 N 0.34 0.00 0.93 1.25 4.64 -1.18 -2.08 113.55 117.45 3iae h SER 401 Ca 0.06 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.31 3iae h SER 401 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3iae h SER 401 CO 0.04 0.00 -0.33 -0.33 -0.87 0.00 0.00 176.83 175.34 3iae h GLU 402 N 0.00 0.00 0.00 4.77 4.39 -1.65 -3.20 114.58 118.88 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 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3iae h GLU 402 CO 0.00 0.33 -0.86 1.33 -1.16 0.00 0.00 179.01 178.65 3iae n VAL 403 N -3.46 0.00 0.14 3.13 0.24 -0.80 -4.57 118.33 113.00 3iae n VAL 403 Ca 0.00 -0.09 0.01 0.00 -2.04 0.00 0.00 64.34 62.22 3iae n VAL 403 Cb 0.50 0.97 0.11 0.00 -1.47 0.00 0.00 33.84 33.95 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 -0.00 7.34 2.86 -1.50 -3.29 114.93 120.33 3iae h MET 404 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3iae h MET 404 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3iae h MET 404 CO 0.00 0.58 -0.01 -1.13 1.06 0.00 0.00 176.91 177.42 3iae n SER 405 N -3.41 0.17 -0.13 1.22 3.41 -1.26 -3.08 113.62 110.54 3iae n SER 405 Ca 0.01 -0.93 0.02 0.00 -0.26 0.00 0.00 58.87 57.71 3iae n SER 405 Cb 0.70 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.62 3iae n SER 405 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3iae n ARG 406 N -0.92 1.15 -3.80 4.33 1.85 -1.24 -4.50 116.66 113.53 3iae n ARG 406 Ca 0.22 -0.57 -0.22 0.00 -1.00 0.00 0.00 57.85 56.27 3iae n ARG 406 Cb 0.16 -0.99 -0.05 0.00 -1.05 0.00 0.00 32.46 30.54 3iae n ARG 406 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 3iae s VAL 407 N -0.63 2.71 -0.69 8.89 -7.23 -1.18 -5.10 120.40 117.17 3iae s VAL 407 Ca 0.04 -1.48 0.05 0.00 -1.81 0.00 0.00 61.98 58.79 3iae s VAL 407 Cb 0.04 -3.02 0.19 0.00 0.56 0.00 0.00 36.38 34.14 3iae s VAL 407 CO 0.08 -0.04 0.55 0.29 -0.31 0.00 0.00 175.10 175.67 3iae n LYS 408 N -1.40 1.97 -2.19 4.82 5.02 -1.26 -4.96 118.16 120.16 3iae n LYS 408 Ca 0.01 -4.52 -0.36 0.00 -2.02 0.00 0.00 58.31 51.42 3iae n LYS 408 Cb 0.62 -2.28 0.01 0.00 -0.02 0.00 0.00 35.03 33.36 3iae n LYS 408 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3iae s PRO 409 N -1.67 3.34 0.38 1.97 0.04 -1.26 -1.82 135.00 135.97 3iae s PRO 409 Ca 0.28 1.72 0.15 0.00 0.04 0.00 0.00 61.00 63.18 3iae s PRO 409 Cb -0.00 -2.07 0.78 0.00 0.04 0.00 0.00 34.50 33.24 3iae s PRO 409 CO -0.14 -0.89 1.83 0.78 0.04 0.00 0.00 177.00 178.63 3iae h GLY 410 N 1.30 0.00 -4.38 0.56 0.00 0.26 -3.43 103.07 97.37 3iae h GLY 410 Ca -0.50 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 3iae h GLY 410 CO 0.57 0.00 0.16 -0.32 0.00 0.00 0.00 176.54 176.96 3iae s GLY 411 N -4.31 -0.56 -0.25 4.60 0.00 -1.11 -4.91 107.32 100.78 3iae s GLY 411 Ca -0.02 1.58 -0.03 0.00 0.00 0.00 0.00 44.72 46.25 3iae s GLY 411 CO 0.71 1.25 0.09 -0.12 0.00 0.00 0.00 173.10 175.04 3iae s PHE 412 N -0.59 0.78 -0.50 1.90 5.36 -1.25 -0.28 117.98 123.39 3iae s PHE 412 Ca -0.07 -0.98 -0.06 0.00 -0.96 0.00 0.00 56.93 54.87 3iae s PHE 412 Cb -0.02 -1.08 0.13 0.00 -0.34 0.00 0.00 43.02 41.71 3iae s PHE 412 CO 0.07 -0.74 0.34 -0.51 -1.46 0.00 0.00 175.22 172.91 3iae s LEU 413 N 1.94 5.48 0.00 6.12 1.43 0.21 -4.43 118.68 129.43 3iae s LEU 413 Ca 0.06 -2.22 0.04 0.00 -1.03 0.00 0.00 54.13 50.99 3iae s LEU 413 Cb -0.17 -1.92 0.04 0.00 0.03 0.00 0.00 46.19 44.18 3iae s LEU 413 CO -0.23 -0.56 0.37 0.00 0.23 0.00 0.00 176.35 176.16 3iae s HIS 415 N -2.69 2.57 0.00 0.00 3.76 -1.25 -4.94 115.29 112.74 3iae s HIS 415 Ca 0.28 1.28 0.00 0.00 -0.15 0.00 0.00 55.06 56.47 3iae s HIS 415 Cb -0.02 -3.88 0.00 0.00 1.11 0.00 0.00 32.58 29.79 3iae s HIS 415 CO 0.18 -2.74 0.00 0.41 -0.85 0.00 0.00 174.74 171.74 3iae n GLY 416 N 0.58 2.05 0.19 -2.22 0.00 -1.26 -4.93 105.19 99.60 3iae n GLY 416 Ca 0.04 -1.82 0.01 0.00 0.00 0.00 0.00 46.02 44.25 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 0.11 -0.84 1.61 0.05 -1.93 -2.99 116.97 112.98 3iae h TYR 417 Ca 0.00 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 3iae h TYR 417 Cb 0.00 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 37.68 3iae h TYR 417 CO 0.00 0.48 0.40 1.25 -1.05 0.00 0.00 178.16 179.24 3iae h LEU 418 N 0.08 1.10 1.76 3.88 6.46 -1.91 -3.46 115.31 123.22 3iae h LEU 418 Ca 0.01 -0.13 -0.37 0.00 -0.12 0.00 0.00 57.88 57.26 3iae h LEU 418 Cb 0.74 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 3iae h LEU 418 CO 0.06 0.93 -0.53 0.61 -0.62 0.00 0.00 178.44 178.89 3iae n GLY 419 N -1.01 -0.51 3.64 3.75 0.00 -1.13 -4.91 105.19 105.01 3iae n GLY 419 Ca 0.08 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.41 6.90 0.14 1.61 0.15 -1.26 -4.99 113.70 113.85 3iae s SER 420 Ca 0.18 1.00 -0.31 0.00 0.70 0.00 0.00 55.95 57.52 3iae s SER 420 Cb -0.09 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 61.60 3iae s SER 420 CO 0.22 -0.89 1.48 -0.04 1.20 0.00 0.00 173.24 175.22 3iae s MET 421 N 3.66 4.27 0.00 5.44 -1.94 -1.26 -3.40 119.30 126.06 3iae s MET 421 Ca 0.45 2.22 0.00 0.00 -1.71 0.00 0.00 55.69 56.65 3iae s MET 421 Cb -0.12 -3.20 0.00 0.00 2.01 0.00 0.00 34.83 33.52 3iae s MET 421 CO 0.16 -0.52 0.00 0.41 -0.01 0.00 0.00 175.02 175.06 3iae n GLY 422 N 3.61 0.59 0.20 -0.03 0.00 -1.26 -4.96 105.19 103.34 3iae n GLY 422 Ca 0.13 0.00 0.14 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 -0.27 1.61 -1.51 -1.86 -3.33 116.25 110.89 3iae h VAL 423 Ca 0.00 -0.36 -0.09 0.00 -1.23 0.00 0.00 66.70 65.02 3iae h VAL 423 Cb 0.00 1.21 -0.01 0.00 -2.13 0.00 0.00 31.29 30.36 3iae h VAL 423 CO 0.00 0.00 -0.23 1.23 -1.23 0.00 0.00 177.57 177.34 3iae h GLY 424 N 2.18 0.54 0.92 5.19 0.00 -1.89 -2.47 103.07 107.54 3iae h GLY 424 Ca 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 3iae h GLY 424 CO 0.00 0.39 -0.23 -2.75 0.00 0.00 0.00 176.54 173.95 3iae h PHE 425 N 0.45 -0.60 -0.12 5.60 3.04 -1.93 0.61 116.94 123.98 3iae h PHE 425 Ca 0.07 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.02 3iae h PHE 425 Cb 0.64 0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.34 3iae h PHE 425 CO 0.02 -0.33 0.03 0.78 -2.02 0.00 0.00 178.31 176.80 3iae h GLY 426 N -0.74 0.14 -0.02 2.40 0.00 -1.79 -1.01 103.07 102.04 3iae h GLY 426 Ca -0.07 -0.02 0.11 0.00 0.00 0.00 0.00 47.33 47.35 3iae h GLY 426 CO 0.11 0.01 -0.10 -0.84 0.00 0.00 0.00 176.54 175.72 3iae h THR 427 N 0.09 0.49 -0.38 4.70 2.02 -1.37 -1.42 112.91 117.05 3iae h THR 427 Ca 0.05 -0.01 -0.11 0.00 0.77 0.00 0.00 66.41 67.12 3iae h THR 427 Cb 0.03 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 3iae h THR 427 CO -0.06 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 175.64 3iae h ALA 428 N 1.52 0.94 -0.24 6.16 0.00 -0.63 -0.91 119.26 126.09 3iae h ALA 428 Ca 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3iae h ALA 428 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3iae h ALA 428 CO -0.52 0.61 0.16 1.25 0.00 0.00 0.00 179.25 180.75 3iae h LEU 429 N 0.65 0.28 -0.65 0.00 6.46 -0.45 -0.02 115.31 121.58 3iae h LEU 429 Ca 0.10 -0.02 -0.13 0.00 -0.12 0.00 0.00 57.88 57.71 3iae h LEU 429 Cb 0.68 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 3iae h LEU 429 CO 0.05 0.21 -0.37 1.23 -0.62 0.00 0.00 178.44 178.94 3iae h GLY 430 N 0.32 0.69 1.02 3.75 0.00 -1.21 -2.98 103.07 104.66 3iae h GLY 430 Ca 0.09 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 3iae h GLY 430 CO -0.02 0.61 0.59 0.00 0.00 0.00 0.00 176.54 177.71 3iae h ALA 431 N 1.06 1.22 -0.37 3.60 0.00 -0.91 -2.66 119.26 121.20 3iae h ALA 431 Ca 0.05 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3iae h ALA 431 Cb 0.89 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3iae h ALA 431 CO 0.08 0.67 -0.03 0.37 0.00 0.00 0.00 179.25 180.33 3iae h GLN 432 N 1.32 0.61 -0.47 0.00 5.75 -0.87 0.12 115.11 121.57 3iae h GLN 432 Ca 0.34 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.68 3iae h GLN 432 Cb -0.07 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 3iae h GLN 432 CO -0.07 0.66 0.24 0.28 -2.65 0.00 0.00 178.83 177.29 3iae h VAL 433 N 0.57 1.18 -0.23 2.39 2.07 -1.34 -0.07 116.25 120.82 3iae h VAL 433 Ca 0.11 -0.47 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 3iae h VAL 433 Cb 0.42 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3iae h VAL 433 CO 0.02 0.19 -0.29 0.00 0.02 0.00 0.00 177.57 177.50 3iae h ALA 434 N 1.09 1.06 -0.00 1.67 0.00 -1.14 -3.13 119.26 118.80 3iae h ALA 434 Ca 0.16 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 3iae h ALA 434 Cb 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3iae h ALA 434 CO -0.02 0.57 -0.59 -0.44 0.00 0.00 0.00 179.25 178.77 3iae h ASP 435 N 0.40 0.01 -0.61 0.00 3.32 -0.37 -2.86 116.42 116.31 3iae h ASP 435 Ca 0.05 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.14 3iae h ASP 435 Cb 0.72 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 3iae h ASP 435 CO 0.06 0.60 0.41 -0.07 -1.72 0.00 0.00 179.24 178.51 3iae h LEU 436 N 0.01 0.60 -0.18 1.55 4.07 -0.96 0.47 115.31 120.87 3iae h LEU 436 Ca -0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 3iae h LEU 436 Cb 1.05 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.65 3iae h LEU 436 CO 0.08 0.41 0.02 -0.33 -1.08 0.00 0.00 178.44 177.54 3iae h GLU 437 N 0.70 0.31 -0.02 1.13 5.08 -1.56 -3.23 114.58 116.99 3iae h GLU 437 Ca 0.25 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3iae h GLU 437 Cb 0.12 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3iae h GLU 437 CO -0.07 0.48 0.00 0.00 -1.00 0.00 0.00 179.01 178.42 3iae n ALA 438 N -2.30 2.59 -2.47 3.43 0.00 -0.98 -4.93 120.51 115.84 3iae n ALA 438 Ca -0.05 -0.42 -0.09 0.00 0.00 0.00 0.00 53.44 52.88 3iae n ALA 438 Cb 0.20 -1.20 0.01 0.00 0.00 0.00 0.00 19.45 18.45 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 1.15 0.13 3.82 0.00 0.00 0.69 -5.05 105.19 105.92 3iae n GLY 439 Ca 0.19 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.86 2.65 -0.06 1.61 0.52 0.13 -4.98 118.95 113.96 3iae s ARG 440 Ca 0.09 -1.33 0.02 0.00 -0.52 0.00 0.00 55.73 54.00 3iae s ARG 440 Cb -0.04 -2.41 -0.03 0.00 0.52 0.00 0.00 34.95 32.99 3iae s ARG 440 CO 0.12 0.14 -0.12 0.50 0.02 0.00 0.00 175.30 175.96 3iae s ARG 441 N -3.94 2.63 -0.15 3.54 6.06 -0.30 -4.21 118.95 122.58 3iae s ARG 441 Ca 0.39 -0.64 -0.06 0.00 -2.50 0.00 0.00 55.73 52.92 3iae s ARG 441 Cb -0.05 -2.47 -0.04 0.00 0.06 0.00 0.00 34.95 32.45 3iae s ARG 441 CO 0.25 0.62 0.04 0.99 -2.50 0.00 0.00 175.30 174.71 3iae s THR 442 N -0.71 4.64 -0.14 4.11 2.01 -1.26 -0.63 115.64 123.66 3iae s THR 442 Ca 0.11 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.01 3iae s THR 442 Cb -0.11 -3.04 0.02 0.00 0.01 0.00 0.00 72.50 69.38 3iae s THR 442 CO 0.01 0.52 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.71 3iae s ILE 443 N -0.10 1.37 -0.19 1.82 1.01 0.22 -2.66 121.20 122.66 3iae s ILE 443 Ca 0.06 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 3iae s ILE 443 Cb -0.12 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 3iae s ILE 443 CO 0.01 0.43 0.37 -0.22 0.00 0.00 0.00 174.94 175.53 3iae s LEU 444 N 1.57 4.18 -0.35 2.97 2.96 0.13 -0.48 118.68 129.66 3iae s LEU 444 Ca 0.05 0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 54.44 3iae s LEU 444 Cb -0.13 -2.48 0.06 0.00 0.50 0.00 0.00 46.19 44.15 3iae s LEU 444 CO -0.10 -0.03 0.10 -0.69 -1.32 0.00 0.00 176.35 174.31 3iae s VAL 445 N 1.10 3.37 0.31 1.68 1.01 0.12 0.36 120.40 128.34 3iae s VAL 445 Ca 0.18 -1.48 0.04 0.00 0.00 0.00 0.00 61.98 60.73 3iae s VAL 445 Cb -0.14 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 33.15 3iae s VAL 445 CO 0.07 -0.30 0.05 0.28 0.00 0.00 0.00 175.10 175.20 3iae s THR 446 N 1.28 1.20 0.42 3.92 -1.32 0.28 -0.30 115.64 121.12 3iae s THR 446 Ca -0.00 -2.01 -0.01 0.00 -1.21 0.00 0.00 61.69 58.45 3iae s THR 446 Cb -0.21 -2.74 -0.02 0.00 -1.51 0.00 0.00 72.50 68.02 3iae s THR 446 CO -0.01 -0.04 0.66 -0.83 -2.21 0.00 0.00 174.62 172.19 3iae s GLY 447 N -3.47 1.45 0.38 6.08 0.00 -1.26 -0.14 107.32 110.36 3iae s GLY 447 Ca 0.36 -0.84 0.10 0.00 0.00 0.00 0.00 44.72 44.33 3iae s GLY 447 CO 0.15 -0.72 1.89 1.29 0.00 0.00 0.00 173.10 175.71 3iae h ASP 448 N 0.48 0.19 0.03 1.64 2.03 -1.85 -1.51 116.42 117.45 3iae h ASP 448 Ca -0.48 -0.04 -0.00 0.00 -0.73 0.00 0.00 57.03 55.77 3iae h ASP 448 Cb 1.23 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 3iae h ASP 448 CO 0.60 0.39 -0.02 1.23 -1.03 0.00 0.00 179.24 180.42 3iae h GLY 449 N 0.80 -0.05 1.46 7.15 0.00 -1.90 -3.33 103.07 107.20 3iae h GLY 449 Ca 0.04 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 3iae h GLY 449 CO 0.03 -0.02 0.12 1.76 0.00 0.00 0.00 176.54 178.43 3iae h SER 450 N -0.51 0.63 0.33 0.19 0.02 -1.88 -2.95 113.55 109.38 3iae h SER 450 Ca -0.00 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 3iae h SER 450 Cb 0.47 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3iae h SER 450 CO 0.01 0.62 -0.24 1.62 -1.14 0.00 0.00 176.83 177.69 3iae h VAL 451 N 0.67 1.01 0.00 2.27 3.04 -1.39 -2.79 116.25 119.06 3iae h VAL 451 Ca 0.15 -0.87 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 3iae h VAL 451 Cb 0.23 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 3iae h VAL 451 CO -0.01 0.24 0.00 1.23 -1.01 0.00 0.00 177.57 178.02 3iae h GLY 452 N 0.90 0.00 1.01 3.17 0.00 -1.63 -2.15 103.07 104.38 3iae h GLY 452 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3iae h GLY 452 CO 0.03 0.00 0.32 -0.97 0.00 0.00 0.00 176.54 175.93 3iae h TYR 453 N 0.00 1.02 -0.15 5.60 -1.99 -1.66 -3.33 116.97 116.46 3iae h TYR 453 Ca 0.00 -0.06 -0.18 0.00 2.00 0.00 0.00 58.73 60.49 3iae h TYR 453 Cb 0.28 -0.31 -0.30 0.00 2.00 0.00 0.00 36.73 38.40 3iae h TYR 453 CO 0.00 0.76 -0.90 0.43 -0.00 0.00 0.00 178.16 178.46 3iae n SER 454 N -4.42 1.68 0.29 3.88 7.64 -1.12 -4.88 113.62 116.69 3iae n SER 454 Ca 0.06 -2.67 0.19 0.00 1.01 0.00 0.00 58.87 57.46 3iae n SER 454 Cb 0.14 -0.40 0.94 0.00 -1.01 0.00 0.00 64.21 63.89 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 4.73 0.00 0.00 0.44 2.10 -1.51 -0.80 117.51 122.47 3iae h ILE 455 Ca -0.09 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.67 3iae h ILE 455 Cb 1.52 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 38.36 3iae h ILE 455 CO 0.16 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.84 3iae n GLY 456 N -0.67 -0.97 0.00 8.18 0.00 -1.26 -3.16 105.19 107.31 3iae n GLY 456 Ca -0.01 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.42 0.02 0.08 1.61 -0.58 -0.31 -2.37 120.64 117.67 3iae n GLU 457 Ca 0.05 0.11 0.05 0.00 -0.42 0.00 0.00 57.16 56.95 3iae n GLU 457 Cb 0.17 -1.50 0.48 0.00 -0.57 0.00 0.00 31.44 30.02 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 0.37 -0.30 -0.32 -1.00 -1.77 -0.53 116.94 113.38 3iae h PHE 458 Ca 0.00 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.79 3iae h PHE 458 Cb 0.38 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 3iae h PHE 458 CO 0.00 0.25 0.18 0.22 -1.61 0.00 0.00 178.31 177.35 3iae h ASP 459 N 0.39 0.31 -0.55 2.17 3.58 -1.70 -1.98 116.42 118.63 3iae h ASP 459 Ca 0.10 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 3iae h ASP 459 Cb -0.02 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 3iae h ASP 459 CO -0.02 0.22 0.14 0.74 -2.88 0.00 0.00 179.24 177.44 3iae h THR 460 N 0.38 1.24 -0.59 2.25 2.02 -1.50 0.78 112.91 117.49 3iae h THR 460 Ca 0.11 -0.87 0.10 0.00 0.77 0.00 0.00 66.41 66.52 3iae h THR 460 Cb -0.02 0.77 -0.08 0.00 -1.74 0.00 0.00 68.15 67.08 3iae h THR 460 CO -0.04 0.32 0.18 -0.07 0.37 0.00 0.00 175.52 176.27 3iae h LEU 461 N 0.77 0.12 -0.05 2.58 4.07 -1.01 -0.57 115.31 121.23 3iae h LEU 461 Ca 0.17 0.09 -0.05 0.00 0.08 0.00 0.00 57.88 58.17 3iae h LEU 461 Cb 0.34 0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.18 3iae h LEU 461 CO 0.00 0.07 -0.17 0.58 -1.08 0.00 0.00 178.44 177.85 3iae h VAL 462 N 0.33 1.45 -0.71 1.22 2.07 -1.03 0.97 116.25 120.56 3iae h VAL 462 Ca 0.30 -1.58 0.02 0.00 0.82 0.00 0.00 66.70 66.26 3iae h VAL 462 Cb 0.41 2.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 3iae h VAL 462 CO -0.34 0.44 0.45 0.03 0.02 0.00 0.00 177.57 178.17 3iae h ARG 463 N -0.34 0.87 -0.02 1.57 3.08 -0.74 -2.69 114.38 116.11 3iae h ARG 463 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3iae h ARG 463 Cb 0.80 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3iae h ARG 463 CO 0.04 0.58 -0.08 1.63 -1.07 0.00 0.00 179.97 181.06 3iae n LYS 464 N -4.64 1.66 -3.67 0.04 4.76 -0.23 -4.98 118.16 111.10 3iae n LYS 464 Ca 0.07 -1.14 -0.21 0.00 -2.87 0.00 0.00 58.31 54.17 3iae n LYS 464 Cb 0.06 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 31.81 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 0.32 -5.06 -3.41 1.97 6.02 -0.25 -4.98 117.38 112.00 3iae n GLN 465 Ca 0.16 0.64 -0.40 0.00 -0.01 0.00 0.00 57.00 57.38 3iae n GLN 465 Cb 0.43 -5.24 -0.09 0.00 1.02 0.00 0.00 30.24 26.35 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 -6.64 4.38 0.00 1.08 1.43 0.18 -4.97 118.68 114.14 3iae s LEU 466 Ca 0.00 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3iae s LEU 466 Cb -0.00 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.88 3iae s LEU 466 CO 0.80 -0.31 1.08 -0.81 0.23 0.00 0.00 176.35 177.35 3iae n PRO 467 N 5.37 0.76 -1.86 1.29 -0.04 -1.26 -3.91 135.00 135.34 3iae n PRO 467 Ca -0.09 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.95 3iae n PRO 467 Cb 0.50 -1.12 -0.02 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.00 4.36 -0.30 1.53 2.96 -1.26 -4.59 118.68 121.37 3iae s LEU 468 Ca 0.00 2.85 -0.10 0.00 -0.22 0.00 0.00 54.13 56.66 3iae s LEU 468 Cb 0.00 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.04 3iae s LEU 468 CO 0.00 -0.84 0.16 -0.63 -1.32 0.00 0.00 176.35 173.73 3iae s ILE 469 N -0.03 4.78 -0.38 6.68 1.01 -1.09 -1.41 121.20 130.76 3iae s ILE 469 Ca 0.62 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.87 3iae s ILE 469 Cb -0.46 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 38.64 3iae s ILE 469 CO 0.47 0.11 0.24 -0.69 0.00 0.00 0.00 174.94 175.06 3iae s VAL 470 N 1.65 4.80 -0.31 2.92 1.01 0.55 -0.69 120.40 130.34 3iae s VAL 470 Ca 0.05 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 3iae s VAL 470 Cb -0.17 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3iae s VAL 470 CO 0.07 -0.26 0.24 -0.63 0.00 0.00 0.00 175.10 174.53 3iae s ILE 471 N 1.60 5.27 -0.31 2.22 1.01 0.16 -0.37 121.20 130.78 3iae s ILE 471 Ca 0.03 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 3iae s ILE 471 Cb -0.19 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 3iae s ILE 471 CO 0.08 0.12 0.18 -0.63 0.00 0.00 0.00 174.94 174.69 3iae s ILE 472 N 1.80 4.94 -0.98 2.92 1.01 -0.21 -0.55 121.20 130.13 3iae s ILE 472 Ca 0.08 -0.22 -0.20 0.00 0.00 0.00 0.00 60.65 60.31 3iae s ILE 472 Cb -0.16 -3.48 0.10 0.00 0.01 0.00 0.00 42.46 38.93 3iae s ILE 472 CO 0.11 0.10 1.27 -0.04 0.00 0.00 0.00 174.94 176.37 3iae s MET 473 N 1.68 3.62 -0.71 2.79 -1.94 0.80 -0.46 119.30 125.08 3iae s MET 473 Ca 0.06 -1.57 -0.24 0.00 -1.71 0.00 0.00 55.69 52.23 3iae s MET 473 Cb -0.17 -5.09 0.06 0.00 2.01 0.00 0.00 34.83 31.64 3iae s MET 473 CO 0.08 -1.94 1.07 1.21 -0.01 0.00 0.00 175.02 175.44 3iae s ASN 474 N 4.09 6.20 -0.26 3.03 3.84 0.90 -3.29 114.94 129.44 3iae s ASN 474 Ca 0.38 -0.92 0.12 0.00 0.21 0.00 0.00 52.86 52.66 3iae s ASN 474 Cb -0.03 -2.46 0.65 0.00 -0.55 0.00 0.00 41.25 38.86 3iae s ASN 474 CO -0.09 -1.53 1.62 -0.46 -2.79 0.00 0.00 177.10 173.85 3iae n ASN 475 N 8.14 4.23 -2.62 -4.21 0.23 -1.26 -1.21 115.26 118.56 3iae n ASN 475 Ca 0.01 -3.22 -0.20 0.00 -0.53 0.00 0.00 54.58 50.63 3iae n ASN 475 Cb 0.47 -0.66 0.00 0.00 -2.08 0.00 0.00 39.78 37.51 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 -0.37 -2.73 -3.61 -3.83 1.13 -1.26 -4.76 117.38 101.95 3iae n GLN 476 Ca 0.32 0.90 -0.02 0.00 -1.94 0.00 0.00 57.00 56.26 3iae n GLN 476 Cb 1.16 -5.62 -0.01 0.00 0.11 0.00 0.00 30.24 25.87 3iae n GLN 476 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3iae s SER 477 N -2.26 -0.12 -1.03 1.08 1.04 -1.26 -0.30 113.70 110.86 3iae s SER 477 Ca 0.10 -0.07 -0.23 0.00 0.48 0.00 0.00 55.95 56.24 3iae s SER 477 Cb -0.05 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.26 3iae s SER 477 CO 0.13 -0.30 1.66 0.26 0.98 0.00 0.00 173.24 175.97 3iae s TRP 478 N -2.48 2.31 0.06 5.02 0.52 0.11 -4.39 118.94 120.09 3iae s TRP 478 Ca 0.11 -0.42 -0.30 0.00 0.02 0.00 0.00 56.10 55.50 3iae s TRP 478 Cb 0.01 -4.47 -0.16 0.00 -1.15 0.00 0.00 33.47 27.70 3iae s TRP 478 CO -0.04 -1.82 1.46 0.78 0.02 0.00 0.00 176.95 177.35 3iae h GLY 479 N 14.54 -1.18 1.72 0.98 0.00 -1.93 -1.72 103.07 115.49 3iae h GLY 479 Ca 0.20 0.50 -0.01 0.00 0.00 0.00 0.00 47.33 48.01 3iae h GLY 479 CO 1.36 -0.39 0.10 0.00 0.00 0.00 0.00 176.54 177.61 3iae h ALA 480 N -1.24 1.69 -0.10 3.60 0.00 -1.94 0.79 119.26 122.06 3iae h ALA 480 Ca -0.08 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 3iae h ALA 480 Cb 0.79 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3iae h ALA 480 CO 0.05 0.25 -0.70 1.79 0.00 0.00 0.00 179.25 180.64 3iae h THR 481 N 0.37 1.36 -0.55 0.00 1.35 -1.96 -1.44 112.91 112.05 3iae h THR 481 Ca 0.09 -2.06 -0.11 0.00 -0.55 0.00 0.00 66.41 63.78 3iae h THR 481 Cb 0.08 2.04 -0.02 0.00 -1.73 0.00 0.00 68.15 68.52 3iae h THR 481 CO -0.01 0.63 -0.08 0.25 -0.25 0.00 0.00 175.52 176.05 3iae h LEU 482 N 0.32 1.00 -1.02 3.87 6.46 -0.42 -2.23 115.31 123.29 3iae h LEU 482 Ca -0.03 -0.32 -0.04 0.00 -0.12 0.00 0.00 57.88 57.38 3iae h LEU 482 Cb 1.27 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.90 3iae h LEU 482 CO 0.12 1.10 0.25 0.45 -0.62 0.00 0.00 178.44 179.74 3iae h HIS 483 N 0.90 0.96 -0.67 1.25 3.86 -0.79 -1.84 115.15 118.83 3iae h HIS 483 Ca 0.15 -0.06 -0.08 0.00 -1.16 0.00 0.00 60.37 59.22 3iae h HIS 483 Cb 0.64 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 3iae h HIS 483 CO 0.04 0.74 0.12 0.35 0.86 0.00 0.00 177.93 180.04 3iae h PHE 484 N 0.93 1.17 -0.58 2.45 3.04 -1.09 -0.84 116.94 122.02 3iae h PHE 484 Ca 0.22 -0.16 -0.07 0.00 3.98 0.00 0.00 57.97 61.94 3iae h PHE 484 Cb 0.19 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.36 3iae h PHE 484 CO 0.01 0.97 0.08 1.96 -2.02 0.00 0.00 178.31 179.31 3iae h GLN 485 N 1.02 0.95 -0.12 1.11 4.20 -1.08 0.62 115.11 121.81 3iae h GLN 485 Ca 0.20 -0.24 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 3iae h GLN 485 Cb 0.43 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.10 3iae h GLN 485 CO 0.01 0.89 -0.49 1.96 -0.67 0.00 0.00 178.83 180.54 3iae h GLN 486 N 0.89 0.53 0.19 1.46 4.20 -1.21 -0.76 115.11 120.42 3iae h GLN 486 Ca 0.18 -0.42 -0.32 0.00 0.06 0.00 0.00 58.65 58.15 3iae h GLN 486 Cb 0.42 0.08 0.02 0.00 0.30 0.00 0.00 27.48 28.29 3iae h GLN 486 CO 0.01 1.05 -1.55 -0.07 -0.67 0.00 0.00 178.83 177.60 3iae h LEU 487 N 0.14 0.62 0.00 1.46 4.07 -1.12 -3.11 115.31 117.37 3iae h LEU 487 Ca -0.03 -0.92 -0.09 0.00 0.08 0.00 0.00 57.88 56.92 3iae h LEU 487 Cb 1.12 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.65 3iae h LEU 487 CO 0.10 1.71 -1.30 0.00 -1.08 0.00 0.00 178.44 177.87 3iae n ALA 488 N -2.83 2.23 -0.00 1.53 0.00 0.20 -4.68 120.51 116.95 3iae n ALA 488 Ca -0.22 -0.43 -0.03 0.00 0.00 0.00 0.00 53.44 52.76 3iae n ALA 488 Cb 1.03 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.76 0.58 0.00 0.00 0.31 -1.14 -5.05 118.33 110.27 3iae n VAL 489 Ca -0.06 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3iae n VAL 489 Cb 0.71 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 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 2.89 3.23 0.26 2.92 0.00 -0.30 -4.96 105.19 109.22 3iae n GLY 490 Ca -0.06 -0.75 0.10 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 -0.64 1.61 0.13 -1.80 -2.23 132.00 129.08 3iae h PRO 491 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3iae h PRO 491 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3iae h PRO 491 CO 0.00 0.10 0.00 0.27 -0.23 0.00 0.00 178.00 178.14 3iae n ASN 492 N -4.09 3.59 -2.25 1.44 2.04 -1.26 -4.51 115.26 110.23 3iae n ASN 492 Ca -0.03 -2.10 -0.31 0.00 -0.44 0.00 0.00 54.58 51.71 3iae n ASN 492 Cb 0.18 -0.45 0.05 0.00 -2.53 0.00 0.00 39.78 37.03 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 1.25 3.08 -3.52 -3.83 5.12 -0.84 -4.96 116.66 112.96 3iae n ARG 493 Ca 0.21 -3.69 -0.42 0.00 -1.93 0.00 0.00 57.85 52.03 3iae n ARG 493 Cb 0.60 -2.28 -0.10 0.00 -1.16 0.00 0.00 32.46 29.51 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 -4.79 5.02 -0.01 1.55 -7.23 -1.26 -4.77 120.40 108.92 3iae s VAL 494 Ca 0.58 -0.66 -0.01 0.00 -1.81 0.00 0.00 61.98 60.08 3iae s VAL 494 Cb 0.46 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 33.64 3iae s VAL 494 CO -0.02 -0.24 0.03 0.42 -0.31 0.00 0.00 175.10 174.98 3iae s THR 495 N 1.64 -0.00 0.00 5.32 -4.23 -1.26 -4.89 115.64 112.22 3iae s THR 495 Ca 0.04 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 3iae s THR 495 Cb -0.19 -0.06 0.00 0.00 1.34 0.00 0.00 72.50 73.60 3iae s THR 495 CO 0.09 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 3iae n GLY 496 N 3.14 0.36 0.17 3.99 0.00 -1.26 -4.85 105.19 106.74 3iae n GLY 496 Ca -0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.59 0.00 -3.54 2.61 -2.24 -1.26 -4.94 114.28 102.31 3iae n THR 497 Ca 0.00 -0.46 -0.37 0.00 -2.27 0.00 0.00 64.05 60.95 3iae n THR 497 Cb 0.15 1.09 -0.06 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.82 3.85 -0.45 -0.78 0.52 -1.26 0.04 118.95 120.05 3iae s ARG 498 Ca 0.06 0.32 0.08 0.00 -0.52 0.00 0.00 55.73 55.66 3iae s ARG 498 Cb 0.05 -3.16 0.26 0.00 0.52 0.00 0.00 34.95 32.62 3iae s ARG 498 CO 0.12 0.67 0.60 1.28 0.02 0.00 0.00 175.30 177.98 3iae n LEU 499 N 1.60 1.11 -2.90 2.53 4.77 0.59 -4.82 117.00 119.88 3iae n LEU 499 Ca -0.13 -4.91 -0.33 0.00 -0.03 0.00 0.00 56.01 50.61 3iae n LEU 499 Cb 0.52 0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.93 3iae n LEU 499 CO 0.38 2.09 1.77 -0.62 -1.33 0.00 0.00 177.39 179.68 3iae n GLU 500 N 1.15 3.26 -3.51 3.23 1.02 -1.23 -4.08 120.64 120.48 3iae n GLU 500 Ca 0.24 -3.00 -0.16 0.00 -0.02 0.00 0.00 57.16 54.22 3iae n GLU 500 Cb 0.51 -2.31 -0.05 0.00 -0.02 0.00 0.00 31.44 29.57 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 0.00 -0.60 0.00 1.62 2.47 -1.26 -5.16 114.94 112.00 3iae s ASN 501 Ca 0.55 0.55 0.00 0.00 0.42 0.00 0.00 52.86 54.38 3iae s ASN 501 Cb 0.33 0.52 0.00 0.00 -1.45 0.00 0.00 41.25 40.64 3iae s ASN 501 CO -0.21 -0.63 0.00 0.61 -3.72 0.00 0.00 177.10 173.14 3iae n GLY 502 N 0.65 2.13 3.27 1.21 0.00 -1.26 -4.99 105.19 106.21 3iae n GLY 502 Ca -0.17 -1.40 -0.44 0.00 0.00 0.00 0.00 46.02 44.00 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 6.16 0.26 1.61 0.15 -1.26 -4.95 113.70 115.67 3iae s SER 503 Ca 0.00 -2.16 0.01 0.00 0.70 0.00 0.00 55.95 54.50 3iae s SER 503 Cb 0.00 -2.13 0.35 0.00 -1.71 0.00 0.00 66.02 62.53 3iae s SER 503 CO 0.00 -0.70 1.69 1.88 1.20 0.00 0.00 173.24 177.31 3iae h TYR 504 N 8.33 0.61 -0.11 3.44 0.05 -1.98 -1.34 116.97 125.96 3iae h TYR 504 Ca -0.14 -0.13 -0.10 0.00 0.05 0.00 0.00 58.73 58.41 3iae h TYR 504 Cb 1.07 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.64 3iae h TYR 504 CO 0.79 0.75 -0.37 1.12 -1.05 0.00 0.00 178.16 179.41 3iae h HIS 505 N 0.47 0.26 -0.58 4.88 2.07 -1.92 -1.74 115.15 118.59 3iae h HIS 505 Ca 0.07 -0.06 -0.08 0.00 -2.85 0.00 0.00 60.37 57.44 3iae h HIS 505 Cb 0.70 -0.06 -0.02 0.00 2.57 0.00 0.00 27.41 30.60 3iae h HIS 505 CO 0.03 0.57 0.03 0.78 -3.07 0.00 0.00 177.93 176.26 3iae h GLY 506 N 1.15 1.07 0.88 6.13 0.00 -1.73 -0.11 103.07 110.46 3iae h GLY 506 Ca 0.02 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 3iae h GLY 506 CO 0.06 0.68 0.07 -2.08 0.00 0.00 0.00 176.54 175.27 3iae h VAL 507 N 0.92 1.15 -0.89 4.60 2.07 -1.04 -1.64 116.25 121.42 3iae h VAL 507 Ca 0.17 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3iae h VAL 507 Cb 0.49 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3iae h VAL 507 CO 0.02 0.15 0.50 0.00 0.02 0.00 0.00 177.57 178.26 3iae h ALA 508 N 0.91 1.13 -0.47 1.67 0.00 -1.18 -2.36 119.26 118.97 3iae h ALA 508 Ca 0.06 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3iae h ALA 508 Cb 0.17 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3iae h ALA 508 CO -0.00 0.63 -0.00 0.00 0.00 0.00 0.00 179.25 179.87 3iae h ALA 509 N 1.27 1.12 0.00 0.00 0.00 -0.93 -0.43 119.26 120.28 3iae h ALA 509 Ca 0.31 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3iae h ALA 509 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3iae h ALA 509 CO -0.05 0.56 -0.16 0.00 0.00 0.00 0.00 179.25 179.60 3iae h ALA 510 N 1.27 1.23 -0.01 0.00 0.00 -0.82 -1.67 119.26 119.28 3iae h ALA 510 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iae h ALA 510 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3iae h ALA 510 CO 0.02 0.20 -0.21 1.19 0.00 0.00 0.00 179.25 180.45 3iae n PHE 511 N -3.62 0.00 0.00 0.00 3.72 -0.93 -4.95 117.46 111.68 3iae n PHE 511 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3iae n PHE 511 Cb 0.29 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 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 1.31 0.73 3.92 1.37 0.00 -0.63 -4.53 105.19 107.36 3iae n GLY 512 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 3.75 0.06 4.61 0.00 -0.22 -4.97 121.76 123.00 3iae s ALA 513 Ca 0.00 -0.74 -0.31 0.00 0.00 0.00 0.00 51.96 50.92 3iae s ALA 513 Cb 0.00 -2.11 -0.08 0.00 0.00 0.00 0.00 23.12 20.94 3iae s ALA 513 CO 0.00 0.35 1.55 -0.51 0.00 0.00 0.00 175.76 177.15 3iae s ASP 514 N -3.19 6.69 -0.26 0.00 -0.00 -0.92 -3.24 116.67 115.75 3iae s ASP 514 Ca 0.40 2.37 -0.02 0.00 -0.00 0.00 0.00 52.55 55.31 3iae s ASP 514 Cb -0.11 -2.57 0.03 0.00 -0.00 0.00 0.00 42.92 40.27 3iae s ASP 514 CO 0.29 -0.81 -0.04 -0.83 -0.00 0.00 0.00 175.17 173.78 3iae s GLY 515 N 2.04 1.66 -0.01 0.21 0.00 -1.26 0.40 107.32 110.37 3iae s GLY 515 Ca 0.70 -1.51 0.01 0.00 0.00 0.00 0.00 44.72 43.91 3iae s GLY 515 CO 0.30 0.56 0.02 -0.19 0.00 0.00 0.00 173.10 173.79 3iae s TYR 516 N 1.32 3.13 -0.07 1.90 2.02 0.16 -4.97 117.35 120.83 3iae s TYR 516 Ca -0.01 0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.81 3iae s TYR 516 Cb -0.17 -1.69 0.02 0.00 -0.40 0.00 0.00 41.96 39.72 3iae s TYR 516 CO -0.04 0.48 -0.06 -1.58 -1.57 0.00 0.00 175.55 172.78 3iae s HIS 517 N -1.10 1.08 0.07 2.71 2.46 -1.26 -0.28 115.29 118.96 3iae s HIS 517 Ca 0.20 -0.40 0.03 0.00 0.47 0.00 0.00 55.06 55.36 3iae s HIS 517 Cb -0.12 -0.91 -0.03 0.00 -0.13 0.00 0.00 32.58 31.39 3iae s HIS 517 CO 0.11 -0.30 -0.09 0.14 -2.47 0.00 0.00 174.74 172.12 3iae s VAL 518 N 1.18 0.79 0.00 0.89 -7.23 0.10 -4.98 120.40 111.14 3iae s VAL 518 Ca -0.06 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 3iae s VAL 518 Cb -0.14 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.73 3iae s VAL 518 CO -0.02 -0.48 0.90 -0.90 -0.31 0.00 0.00 175.10 174.29 3iae n ASP 519 N 0.94 0.00 -3.84 4.85 3.85 -1.26 -0.40 116.55 120.69 3iae n ASP 519 Ca -0.19 -1.81 -0.10 0.00 -0.71 0.00 0.00 54.79 51.99 3iae n ASP 519 Cb 0.56 -0.16 -0.06 0.00 -1.35 0.00 0.00 41.12 40.11 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 -0.81 -0.05 0.12 -1.12 1.04 -1.26 -4.41 113.70 107.21 3iae s SER 520 Ca 0.00 -0.66 -0.20 0.00 0.48 0.00 0.00 55.95 55.57 3iae s SER 520 Cb 0.00 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 3iae s SER 520 CO 0.00 -0.90 1.72 0.58 0.98 0.00 0.00 173.24 175.63 3iae h VAL 521 N 2.47 0.87 -0.20 5.02 2.07 -1.97 -1.41 116.25 123.11 3iae h VAL 521 Ca -0.32 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3iae h VAL 521 Cb 1.23 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3iae h VAL 521 CO 0.47 0.01 0.10 -0.08 0.02 0.00 0.00 177.57 178.09 3iae h GLU 522 N 0.05 0.28 -0.59 1.57 4.81 -1.99 0.24 114.58 118.95 3iae h GLU 522 Ca 0.08 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 3iae h GLU 522 Cb 0.10 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3iae h GLU 522 CO -0.14 0.28 -0.01 0.66 -0.73 0.00 0.00 179.01 179.06 3iae h SER 523 N 0.21 1.03 -0.54 1.04 4.64 -1.96 -2.26 113.55 115.71 3iae h SER 523 Ca 0.07 -0.30 -0.08 0.00 -0.47 0.00 0.00 61.79 61.01 3iae h SER 523 Cb 0.08 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 3iae h SER 523 CO -0.01 1.09 0.03 0.15 -0.87 0.00 0.00 176.83 177.22 3iae h PHE 524 N 0.96 1.01 -0.45 4.77 3.57 -1.12 -1.32 116.94 124.36 3iae h PHE 524 Ca 0.17 -0.16 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3iae h PHE 524 Cb 0.57 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 3iae h PHE 524 CO 0.04 0.91 0.20 0.77 -2.23 0.00 0.00 178.31 178.00 3iae h SER 525 N 0.81 0.26 -0.18 0.41 0.02 -0.80 -0.76 113.55 113.31 3iae h SER 525 Ca 0.16 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 3iae h SER 525 Cb 0.49 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 3iae h SER 525 CO 0.02 0.19 -0.09 0.00 -1.14 0.00 0.00 176.83 175.81 3iae h ALA 526 N 1.26 0.26 -0.69 3.77 0.00 -1.31 -1.64 119.26 120.91 3iae h ALA 526 Ca 0.20 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3iae h ALA 526 Cb 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3iae h ALA 526 CO -0.17 0.08 0.44 0.00 0.00 0.00 0.00 179.25 179.60 3iae h ALA 527 N 0.69 0.89 -0.43 0.00 0.00 -1.13 0.23 119.26 119.50 3iae h ALA 527 Ca 0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3iae h ALA 527 Cb 0.57 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3iae h ALA 527 CO 0.03 0.22 -0.04 1.25 0.00 0.00 0.00 179.25 180.71 3iae h LEU 528 N 0.86 0.79 -0.64 0.00 5.85 -1.12 0.47 115.31 121.52 3iae h LEU 528 Ca 0.27 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3iae h LEU 528 Cb -0.01 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3iae h LEU 528 CO -0.09 0.93 0.27 0.00 -0.34 0.00 0.00 178.44 179.20 3iae h ALA 529 N 0.88 0.83 -0.38 1.25 0.00 -0.94 -1.62 119.26 119.27 3iae h ALA 529 Ca 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3iae h ALA 529 Cb 0.55 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3iae h ALA 529 CO 0.03 0.43 0.12 1.96 0.00 0.00 0.00 179.25 181.79 3iae h GLN 530 N 0.89 0.59 -0.87 0.00 4.20 -0.40 -2.04 115.11 117.49 3iae h GLN 530 Ca 0.21 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.81 3iae h GLN 530 Cb 0.18 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 3iae h GLN 530 CO -0.02 0.60 0.57 0.00 -0.67 0.00 0.00 178.83 179.31 3iae h ALA 531 N 0.97 1.11 -0.31 3.87 0.00 -0.75 -2.17 119.26 121.98 3iae h ALA 531 Ca 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3iae h ALA 531 Cb 0.25 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3iae h ALA 531 CO -0.00 0.48 -0.08 -0.07 0.00 0.00 0.00 179.25 179.58 3iae h LEU 532 N 1.16 0.48 -1.12 0.00 -0.00 -1.19 -3.09 115.31 111.55 3iae h LEU 532 Ca 0.32 -0.11 -0.08 0.00 -0.00 0.00 0.00 57.88 58.01 3iae h LEU 532 Cb -0.11 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.41 3iae h LEU 532 CO -0.08 0.61 -0.37 0.00 -0.00 0.00 0.00 178.44 178.60 3iae h ALA 533 N 1.45 1.13 -2.74 1.53 0.00 -0.72 -3.44 119.26 116.46 3iae h ALA 533 Ca 0.09 -0.34 -0.59 0.00 0.00 0.00 0.00 54.91 54.07 3iae h ALA 533 Cb 0.43 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3iae h ALA 533 CO 0.02 0.47 -0.34 -1.01 0.00 0.00 0.00 179.25 178.38 3iae s HIS 534 N -3.83 3.51 -0.86 0.00 3.76 -1.06 -5.00 115.29 111.80 3iae s HIS 534 Ca -0.01 0.54 -0.04 0.00 -0.15 0.00 0.00 55.06 55.40 3iae s HIS 534 Cb 0.12 -1.98 0.16 0.00 1.11 0.00 0.00 32.58 31.99 3iae s HIS 534 CO 0.69 0.50 2.40 -1.71 -0.85 0.00 0.00 174.74 175.77 3iae n ASN 535 N 0.39 7.26 -4.12 1.40 5.15 -1.26 -4.94 115.26 119.14 3iae n ASN 535 Ca -0.05 -3.36 -0.12 0.00 -0.60 0.00 0.00 54.58 50.45 3iae n ASN 535 Cb 0.52 -1.24 -0.11 0.00 -0.53 0.00 0.00 39.78 38.43 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 -2.31 0.68 0.31 1.20 3.00 -1.26 -4.79 118.95 115.78 3iae s ARG 536 Ca 0.53 -1.04 -0.29 0.00 0.00 0.00 0.00 55.73 54.93 3iae s ARG 536 Cb 0.30 -0.26 -0.11 0.00 0.00 0.00 0.00 34.95 34.88 3iae s ARG 536 CO -0.20 0.02 1.52 -2.14 0.00 0.00 0.00 175.30 174.50 3iae s PRO 537 N -2.67 4.15 0.02 3.54 0.02 -1.25 -4.47 135.00 134.34 3iae s PRO 537 Ca 0.01 2.51 0.01 0.00 0.02 0.00 0.00 61.00 63.55 3iae s PRO 537 Cb -0.03 -3.02 -0.01 0.00 0.02 0.00 0.00 34.50 31.46 3iae s PRO 537 CO -0.02 -0.54 -0.05 0.00 -0.33 0.00 0.00 177.00 176.05 3iae s ALA 538 N -0.43 0.40 -0.12 -1.55 0.00 -0.50 -2.15 121.76 117.41 3iae s ALA 538 Ca 0.58 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.11 3iae s ALA 538 Cb -0.46 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 22.66 3iae s ALA 538 CO 0.52 0.01 -0.21 0.00 0.00 0.00 0.00 175.76 176.08 3iae s ILE 540 N 0.71 2.75 -0.35 0.00 1.01 0.50 0.35 121.20 126.18 3iae s ILE 540 Ca -0.10 -2.37 -0.29 0.00 0.00 0.00 0.00 60.65 57.89 3iae s ILE 540 Cb -0.16 -2.95 0.01 0.00 0.01 0.00 0.00 42.46 39.38 3iae s ILE 540 CO 0.01 -0.67 1.20 0.21 0.00 0.00 0.00 174.94 175.70 3iae s ASN 541 N 1.12 6.73 -0.24 3.58 3.04 0.61 -1.05 114.94 128.73 3iae s ASN 541 Ca 0.11 0.98 -0.03 0.00 0.04 0.00 0.00 52.86 53.96 3iae s ASN 541 Cb -0.21 -2.54 0.01 0.00 -1.54 0.00 0.00 41.25 36.97 3iae s ASN 541 CO -0.06 -1.07 -0.04 -0.69 -3.04 0.00 0.00 177.10 172.20 3iae s VAL 542 N 4.23 3.19 -0.24 -5.21 1.01 0.39 -0.73 120.40 123.04 3iae s VAL 542 Ca 0.51 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 3iae s VAL 542 Cb -0.13 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 3iae s VAL 542 CO 0.23 0.29 1.37 0.00 0.00 0.00 0.00 175.10 176.99 3iae s ALA 543 N 1.41 3.42 0.02 5.51 0.00 0.46 -0.07 121.76 132.52 3iae s ALA 543 Ca 0.03 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.32 3iae s ALA 543 Cb -0.16 -3.76 -0.02 0.00 0.00 0.00 0.00 23.12 19.19 3iae s ALA 543 CO -0.03 -1.66 -0.11 0.08 0.00 0.00 0.00 175.76 174.04 3iae s VAL 544 N 4.35 0.82 0.48 0.00 1.01 -0.35 -4.30 120.40 122.40 3iae s VAL 544 Ca 0.60 -0.78 -0.23 0.00 0.00 0.00 0.00 61.98 61.57 3iae s VAL 544 Cb -0.20 -0.75 -0.07 0.00 0.00 0.00 0.00 36.38 35.36 3iae s VAL 544 CO 0.23 -0.02 1.26 0.00 0.00 0.00 0.00 175.10 176.57 3iae s ALA 545 N -0.72 2.98 -0.21 5.51 0.00 0.50 -4.02 121.76 125.79 3iae s ALA 545 Ca -0.00 1.14 0.07 0.00 0.00 0.00 0.00 51.96 53.17 3iae s ALA 545 Cb -0.07 -3.47 -0.21 0.00 0.00 0.00 0.00 23.12 19.37 3iae s ALA 545 CO 0.01 -0.95 -0.01 -0.11 0.00 0.00 0.00 175.76 174.70 3iae n LEU 546 N -0.56 1.80 -0.33 0.00 7.94 -1.26 -4.60 117.00 119.99 3iae n LEU 546 Ca 0.08 -0.02 -0.00 0.00 -1.11 0.00 0.00 56.01 54.95 3iae n LEU 546 Cb 0.46 -0.38 0.13 0.00 0.53 0.00 0.00 43.42 44.16 3iae n LEU 546 CO 0.51 0.75 1.23 0.44 -1.11 0.00 0.00 177.39 179.20 3iae h ASP 547 N 0.01 0.94 -3.19 1.96 3.45 -1.97 -3.45 116.42 114.17 3iae h ASP 547 Ca -0.54 -0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.35 3iae h ASP 547 Cb 2.04 -0.20 0.10 0.00 -0.56 0.00 0.00 39.33 40.71 3iae h ASP 547 CO -0.02 0.63 0.55 -2.65 -1.57 0.00 0.00 179.24 176.18 3iae n PRO 548 N -4.54 2.15 -3.77 3.56 -0.02 -1.26 -4.98 135.00 126.13 3iae n PRO 548 Ca 0.12 0.75 -0.37 0.00 -2.02 0.00 0.00 63.50 61.98 3iae n PRO 548 Cb 0.12 -2.36 -0.13 0.00 -0.02 0.00 0.00 33.50 31.11 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 -0.82 4.02 0.38 4.25 1.01 -1.26 -5.08 121.20 123.69 3iae s ILE 549 Ca 0.58 -0.54 -0.26 0.00 0.00 0.00 0.00 60.65 60.43 3iae s ILE 549 Cb -0.58 -3.01 -0.09 0.00 0.01 0.00 0.00 42.46 38.80 3iae s ILE 549 CO 0.59 0.17 1.21 -2.16 0.00 0.00 0.00 174.94 174.75 3iae s PRO 550 N 1.53 4.15 0.45 2.79 0.04 -1.26 -4.94 135.00 137.76 3iae s PRO 550 Ca 0.04 1.95 0.16 0.00 0.04 0.00 0.00 61.00 63.19 3iae s PRO 550 Cb -0.16 -2.81 1.11 0.00 0.04 0.00 0.00 34.50 32.68 3iae s PRO 550 CO 0.02 -0.27 1.98 -1.00 0.04 0.00 0.00 177.00 177.77 3iae h PRO 551 N 2.89 0.31 0.00 0.56 0.13 -1.99 -1.78 132.00 132.12 3iae h PRO 551 Ca -0.49 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 3iae h PRO 551 Cb 1.23 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3iae h PRO 551 CO 0.63 0.21 -0.14 0.93 -0.23 0.00 0.00 178.00 179.40 3iae h GLU 552 N 0.32 0.00 -0.25 0.86 4.39 -1.92 -2.82 114.58 115.17 3iae h GLU 552 Ca 0.28 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.90 3iae h GLU 552 Cb 0.67 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 3iae h GLU 552 CO -0.07 0.14 -0.15 1.49 -1.16 0.00 0.00 179.01 179.26 3iae h GLU 553 N 0.00 0.54 -0.02 2.33 4.81 -1.69 -3.15 114.58 117.40 3iae h GLU 553 Ca -0.00 -0.25 -0.09 0.00 -0.13 0.00 0.00 59.36 58.90 3iae h GLU 553 Cb 0.63 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3iae h GLU 553 CO 0.02 0.81 -0.40 -0.07 -0.73 0.00 0.00 179.01 178.64 3iae h LEU 554 N 0.25 0.03 -1.43 1.64 3.38 -1.59 -3.51 115.31 114.08 3iae h LEU 554 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3iae h LEU 554 Cb 0.67 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3iae h LEU 554 CO 0.04 0.43 0.00 -0.38 0.09 0.00 0.00 178.44 178.62