#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fag s ILE 2 N 0.00 5.22 0.13 12.58 1.01 -1.26 -4.60 121.20 134.27 1fag s ILE 2 Ca 0.00 0.73 -0.08 0.00 0.00 0.00 0.00 60.65 61.30 1fag s ILE 2 Cb 0.00 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.68 1fag s ILE 2 CO 0.00 0.30 0.42 -0.54 0.00 0.00 0.00 174.94 175.12 1fag s LYS 3 N 0.93 3.73 -0.04 2.79 -0.14 -1.02 -5.06 119.74 120.94 1fag s LYS 3 Ca 0.20 0.12 -0.25 0.00 -1.36 0.00 0.00 55.97 54.68 1fag s LYS 3 Cb -0.14 -2.89 -0.04 0.00 -1.68 0.00 0.00 37.83 33.08 1fag s LYS 3 CO 0.07 0.49 0.77 -1.21 -0.76 0.00 0.00 175.35 174.71 1fag s GLU 4 N -2.29 4.47 -0.03 1.68 2.02 -1.26 -4.68 118.70 118.60 1fag s GLU 4 Ca 0.38 1.01 -0.32 0.00 0.02 0.00 0.00 54.97 56.06 1fag s GLU 4 Cb -0.13 -3.44 -0.10 0.00 0.10 0.00 0.00 34.13 30.56 1fag s GLU 4 CO 0.21 0.07 1.93 -0.12 0.02 0.00 0.00 175.26 177.36 1fag n MET 5 N 3.69 2.53 -2.61 1.61 0.00 -1.26 -4.97 117.12 116.11 1fag n MET 5 Ca 0.00 0.93 -0.39 0.00 -0.00 0.00 0.00 57.70 58.24 1fag n MET 5 Cb 0.51 -2.83 -0.05 0.00 0.00 0.00 0.00 33.22 30.85 1fag n MET 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1fag s PRO 6 N 4.27 4.55 -0.01 2.12 0.04 -1.26 -4.74 135.00 139.96 1fag s PRO 6 Ca 0.91 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 63.35 1fag s PRO 6 Cb -0.56 -2.96 0.03 0.00 0.04 0.00 0.00 34.50 31.05 1fag s PRO 6 CO 0.47 0.19 0.35 1.14 0.04 0.00 0.00 177.00 179.19 1fag s GLN 7 N -1.79 0.72 1.33 4.56 -2.07 -1.26 -0.37 119.66 120.78 1fag s GLN 7 Ca 0.48 -0.16 -0.20 0.00 -1.82 0.00 0.00 55.36 53.67 1fag s GLN 7 Cb -0.25 0.32 0.34 0.00 -1.09 0.00 0.00 33.01 32.32 1fag s GLN 7 CO 0.32 -0.20 0.97 -1.25 -1.32 0.00 0.00 175.29 173.81 1fag s PRO 8 N -1.38 -2.22 0.52 9.60 0.04 -1.26 -4.94 135.00 135.36 1fag s PRO 8 Ca -0.13 0.30 -0.21 0.00 0.04 0.00 0.00 61.00 61.00 1fag s PRO 8 Cb -0.04 -1.45 -0.07 0.00 0.04 0.00 0.00 34.50 32.98 1fag s PRO 8 CO 0.05 -4.45 1.08 1.17 0.04 0.00 0.00 177.00 174.88 1fag n LYS 9 N -5.35 1.28 -4.34 4.56 4.81 -1.26 -4.92 118.16 112.94 1fag n LYS 9 Ca 0.10 0.47 -0.30 0.00 -0.87 0.00 0.00 58.31 57.71 1fag n LYS 9 Cb 0.58 -2.23 -0.11 0.00 0.02 0.00 0.00 35.03 33.30 1fag n LYS 9 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1fag s THR 10 N -1.38 3.05 -0.60 3.15 -4.23 -1.26 -4.29 115.64 110.08 1fag s THR 10 Ca 0.70 -1.35 0.06 0.00 -1.18 0.00 0.00 61.69 59.92 1fag s THR 10 Cb -0.46 -2.39 0.29 0.00 1.34 0.00 0.00 72.50 71.28 1fag s THR 10 CO 0.51 0.15 0.82 0.49 -0.54 0.00 0.00 174.62 176.06 1fag n PHE 11 N 0.91 3.57 -4.59 3.99 3.01 0.42 -4.92 117.46 119.86 1fag n PHE 11 Ca -0.15 -4.06 0.00 0.00 1.01 0.00 0.00 57.45 54.25 1fag n PHE 11 Cb 0.52 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1fag n PHE 11 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1fag n GLY 12 N 0.41 3.06 0.44 1.37 0.00 -1.26 -1.92 105.19 107.29 1fag n GLY 12 Ca 0.30 -0.34 0.26 0.00 0.00 0.00 0.00 46.02 46.24 1fag n GLY 12 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1fag h GLU 13 N 0.00 0.00 0.00 1.61 4.11 -2.04 0.21 114.58 118.47 1fag h GLU 13 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1fag h GLU 13 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1fag h GLU 13 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 179.01 179.01 1fag h LEU 14 N 0.00 0.00 0.00 3.06 -0.00 -1.81 -3.37 115.31 113.18 1fag h LEU 14 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.24 1fag h LEU 14 Cb 1.55 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.21 1fag h LEU 14 CO -0.00 0.00 0.00 0.29 -0.00 0.00 0.00 178.44 178.73 1fag n LYS 15 N -2.66 0.00 -0.06 1.13 4.76 0.73 -1.41 118.16 120.65 1fag n LYS 15 Ca 0.02 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.58 1fag n LYS 15 Cb 0.30 0.00 0.33 0.00 -1.84 0.00 0.00 35.03 33.82 1fag n LYS 15 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1fag n ASN 16 N 4.05 2.24 -0.24 4.39 4.13 0.28 -0.44 115.26 129.67 1fag n ASN 16 Ca 0.00 -1.77 0.01 0.00 1.68 0.00 0.00 54.58 54.50 1fag n ASN 16 Cb 0.00 -0.08 0.08 0.00 -1.54 0.00 0.00 39.78 38.23 1fag n ASN 16 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1fag h LEU 17 N 3.19 -0.67 -2.14 3.41 5.85 -1.35 0.12 115.31 123.72 1fag h LEU 17 Ca 0.00 0.21 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1fag h LEU 17 Cb 0.69 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1fag h LEU 17 CO 0.00 -0.24 0.29 -0.65 -0.34 0.00 0.00 178.44 177.51 1fag h PRO 18 N -0.00 0.00 0.00 5.25 0.11 -1.78 -0.80 132.00 134.77 1fag h PRO 18 Ca 0.34 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.41 1fag h PRO 18 Cb 0.52 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 1fag h PRO 18 CO -0.73 0.00 -0.20 -0.07 -0.21 0.00 0.00 178.00 176.79 1fag h LEU 19 N 0.00 0.00 -2.26 2.35 3.38 -1.08 -2.78 115.31 114.92 1fag h LEU 19 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1fag h LEU 19 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1fag h LEU 19 CO -0.00 0.20 0.00 -0.11 0.09 0.00 0.00 178.44 178.62 1fag n LEU 20 N -3.66 3.32 -4.56 1.67 7.94 -0.31 -4.81 117.00 116.60 1fag n LEU 20 Ca -0.01 -1.56 -0.35 0.00 -1.11 0.00 0.00 56.01 52.99 1fag n LEU 20 Cb 0.33 -0.34 -0.04 0.00 0.53 0.00 0.00 43.42 43.90 1fag n LEU 20 CO 0.33 0.78 1.48 0.20 -1.11 0.00 0.00 177.39 179.06 1fag s ASN 21 N -1.24 5.88 0.09 1.96 0.02 -1.05 -4.75 114.94 115.85 1fag s ASN 21 Ca 0.41 -1.27 -0.27 0.00 -1.02 0.00 0.00 52.86 50.71 1fag s ASN 21 Cb 0.22 -2.57 0.08 0.00 0.02 0.00 0.00 41.25 39.01 1fag s ASN 21 CO 0.30 -2.09 1.08 0.28 0.02 0.00 0.00 177.10 176.69 1fag s THR 22 N 7.41 0.00 -1.09 1.60 -1.32 -1.26 -5.01 115.64 115.97 1fag s THR 22 Ca 0.58 -0.51 0.29 0.00 -1.21 0.00 0.00 61.69 60.84 1fag s THR 22 Cb -0.02 -2.04 0.30 0.00 -1.51 0.00 0.00 72.50 69.23 1fag s THR 22 CO -0.03 0.00 1.95 0.47 -2.21 0.00 0.00 174.62 174.80 1fag n ASP 23 N -0.51 0.00 -3.27 8.08 8.00 -1.26 -4.31 116.55 123.27 1fag n ASP 23 Ca -0.07 0.36 -0.25 0.00 0.71 0.00 0.00 54.79 55.55 1fag n ASP 23 Cb 0.61 -0.45 -0.08 0.00 -0.02 0.00 0.00 41.12 41.18 1fag n ASP 23 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1fag n LYS 24 N -1.45 0.45 -0.15 -1.24 5.02 -1.26 -4.05 118.16 115.48 1fag n LYS 24 Ca 0.08 -3.16 -0.11 0.00 -2.02 0.00 0.00 58.31 53.10 1fag n LYS 24 Cb 0.32 -1.44 -0.01 0.00 -0.02 0.00 0.00 35.03 33.88 1fag n LYS 24 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1fag h PRO 25 N 4.80 0.94 -0.02 1.97 0.13 -1.86 -2.05 132.00 135.91 1fag h PRO 25 Ca 0.16 -0.40 0.01 0.00 -0.87 0.00 0.00 66.00 64.91 1fag h PRO 25 Cb 0.90 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1fag h PRO 25 CO 0.41 1.06 -0.02 0.28 -0.23 0.00 0.00 178.00 179.49 1fag h VAL 26 N 0.78 0.93 -0.15 1.56 2.07 -1.95 0.31 116.25 119.80 1fag h VAL 26 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1fag h VAL 26 Cb 0.76 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1fag h VAL 26 CO 0.06 0.00 0.03 1.56 0.02 0.00 0.00 177.57 179.24 1fag h GLN 27 N -0.03 0.21 -0.14 1.57 4.20 -1.98 0.15 115.11 119.09 1fag h GLN 27 Ca 0.02 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1fag h GLN 27 Cb 0.06 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1fag h GLN 27 CO -0.04 0.21 -0.03 0.00 -0.67 0.00 0.00 178.83 178.29 1fag h ALA 28 N 1.83 0.19 -0.37 3.87 0.00 -0.53 -2.23 119.26 122.02 1fag h ALA 28 Ca 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1fag h ALA 28 Cb 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1fag h ALA 28 CO -0.00 -0.06 0.15 -0.07 0.00 0.00 0.00 179.25 179.26 1fag h LEU 29 N -0.04 0.46 -0.10 0.00 3.38 0.78 -1.03 115.31 118.77 1fag h LEU 29 Ca 0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1fag h LEU 29 Cb 0.45 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1fag h LEU 29 CO 0.01 0.42 0.06 0.24 0.09 0.00 0.00 178.44 179.27 1fag h MET 30 N 0.51 0.13 -0.71 1.13 2.86 -0.42 0.24 114.93 118.67 1fag h MET 30 Ca 0.13 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1fag h MET 30 Cb 0.11 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 1fag h MET 30 CO -0.01 0.14 0.35 -0.22 1.06 0.00 0.00 176.91 178.22 1fag h LYS 31 N 0.09 1.02 -0.27 1.72 3.64 -0.77 0.25 116.57 122.25 1fag h LYS 31 Ca 0.03 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1fag h LYS 31 Cb 0.04 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1fag h LYS 31 CO -0.01 0.80 0.06 0.82 -2.27 0.00 0.00 179.45 178.85 1fag h ILE 32 N 0.99 1.14 -0.28 2.00 2.04 -0.75 0.16 117.51 122.81 1fag h ILE 32 Ca 0.25 -0.50 -0.17 0.00 1.00 0.00 0.00 64.86 65.44 1fag h ILE 32 Cb 0.11 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1fag h ILE 32 CO -0.03 0.18 -0.49 0.00 0.00 0.00 0.00 178.15 177.81 1fag h ALA 33 N 1.68 0.61 -0.87 1.87 0.00 0.94 0.28 119.26 123.78 1fag h ALA 33 Ca 0.09 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1fag h ALA 33 Cb 0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1fag h ALA 33 CO -0.00 0.68 0.57 -0.44 0.00 0.00 0.00 179.25 180.05 1fag h ASP 34 N 0.60 1.00 0.35 0.00 3.32 0.10 0.71 116.42 122.51 1fag h ASP 34 Ca 0.03 -0.03 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 1fag h ASP 34 Cb 1.06 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 40.36 1fag h ASP 34 CO 0.10 0.73 -1.02 -0.08 -1.72 0.00 0.00 179.24 177.26 1fag h GLU 35 N 1.18 0.42 0.00 3.56 4.81 -0.50 -3.36 114.58 120.68 1fag h GLU 35 Ca 0.32 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1fag h GLU 35 Cb -0.13 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1fag h GLU 35 CO -0.07 1.16 -1.84 1.28 -0.73 0.00 0.00 179.01 178.81 1fag n LEU 36 N -3.72 0.06 0.00 1.64 4.77 0.97 -5.08 117.00 115.64 1fag n LEU 36 Ca -0.08 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1fag n LEU 36 Cb 0.88 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1fag n LEU 36 CO 0.52 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1fag n GLY 37 N 1.38 -1.35 0.33 -0.72 0.00 0.25 -4.62 105.19 100.45 1fag n GLY 37 Ca -0.03 -2.09 0.16 0.00 0.00 0.00 0.00 46.02 44.06 1fag n GLY 37 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1fag h GLU 38 N 0.83 0.00 -1.87 1.61 4.11 -1.94 -3.43 114.58 113.89 1fag h GLU 38 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1fag h GLU 38 Cb 0.00 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.02 1fag h GLU 38 CO 0.00 0.00 0.24 -1.50 0.07 0.00 0.00 179.01 177.82 1fag s ILE 39 N -4.06 0.00 0.09 -1.06 2.07 -1.26 -0.87 121.20 116.10 1fag s ILE 39 Ca -0.03 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 58.98 1fag s ILE 39 Cb 0.09 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.74 1fag s ILE 39 CO 0.28 0.00 0.54 0.72 -1.91 0.00 0.00 174.94 174.57 1fag s PHE 40 N 0.35 -0.44 0.00 3.50 -0.12 -1.09 -4.58 117.98 115.59 1fag s PHE 40 Ca 0.01 0.39 -0.18 0.00 -0.05 0.00 0.00 56.93 57.10 1fag s PHE 40 Cb -0.05 0.40 -0.06 0.00 -0.63 0.00 0.00 43.02 42.68 1fag s PHE 40 CO -0.02 -0.71 0.52 0.21 -0.05 0.00 0.00 175.22 175.17 1fag s LYS 41 N -2.95 4.18 -0.28 1.99 2.20 0.50 -1.53 119.74 123.85 1fag s LYS 41 Ca -0.03 0.60 0.03 0.00 -0.36 0.00 0.00 55.97 56.21 1fag s LYS 41 Cb -0.00 -3.29 0.07 0.00 -1.51 0.00 0.00 37.83 33.10 1fag s LYS 41 CO -0.06 0.50 -0.05 0.12 -0.36 0.00 0.00 175.35 175.50 1fag s PHE 42 N -0.58 3.31 0.04 4.03 5.36 0.53 -4.24 117.98 126.43 1fag s PHE 42 Ca 0.27 -2.47 0.02 0.00 -0.96 0.00 0.00 56.93 53.79 1fag s PHE 42 Cb -0.18 -2.19 -0.04 0.00 -0.34 0.00 0.00 43.02 40.27 1fag s PHE 42 CO 0.16 -0.89 0.06 -2.00 -1.46 0.00 0.00 175.22 171.08 1fag s GLU 43 N 1.08 2.89 0.25 10.12 2.12 -1.26 -1.98 118.70 131.92 1fag s GLU 43 Ca -0.02 -0.62 -0.10 0.00 0.36 0.00 0.00 54.97 54.58 1fag s GLU 43 Cb -0.20 -2.74 -0.01 0.00 0.26 0.00 0.00 34.13 31.45 1fag s GLU 43 CO -0.06 0.60 0.43 0.00 -0.54 0.00 0.00 175.26 175.69 1fag s ALA 44 N -1.26 0.05 -0.12 6.30 0.00 -1.07 -0.55 121.76 125.10 1fag s ALA 44 Ca 0.25 -1.05 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 1fag s ALA 44 Cb -0.12 1.12 -0.06 0.00 0.00 0.00 0.00 23.12 24.05 1fag s ALA 44 CO 0.17 -0.81 2.09 -1.25 0.00 0.00 0.00 175.76 175.95 1fag s PRO 45 N -3.92 3.55 0.00 0.00 0.04 -1.26 -3.67 135.00 129.75 1fag s PRO 45 Ca 0.25 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.52 1fag s PRO 45 Cb 0.00 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.27 1fag s PRO 45 CO 0.11 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 175.93 1fag n GLY 46 N 5.23 1.98 3.79 0.56 0.00 -1.26 -4.99 105.19 110.50 1fag n GLY 46 Ca 0.25 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 1fag n GLY 46 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fag s ARG 47 N 0.00 2.20 -0.29 1.61 1.70 -1.24 -5.08 118.95 117.85 1fag s ARG 47 Ca 0.00 0.83 -0.15 0.00 -0.47 0.00 0.00 55.73 55.94 1fag s ARG 47 Cb 0.00 -1.92 0.11 0.00 -0.57 0.00 0.00 34.95 32.58 1fag s ARG 47 CO 0.00 -1.59 0.78 0.54 -1.08 0.00 0.00 175.30 173.96 1fag s VAL 48 N -3.05 -0.22 0.23 4.99 0.11 -1.26 -2.60 120.40 118.60 1fag s VAL 48 Ca 0.60 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.59 1fag s VAL 48 Cb -0.15 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.68 1fag s VAL 48 CO 0.55 0.00 0.31 0.28 -3.33 0.00 0.00 175.10 172.91 1fag s THR 49 N 1.85 0.00 -0.16 5.04 -1.32 -0.84 -4.54 115.64 115.67 1fag s THR 49 Ca -0.08 -1.71 0.01 0.00 -1.21 0.00 0.00 61.69 58.70 1fag s THR 49 Cb -0.06 -2.37 0.02 0.00 -1.51 0.00 0.00 72.50 68.58 1fag s THR 49 CO -0.18 0.00 -0.20 -0.13 -2.21 0.00 0.00 174.62 171.90 1fag s ARG 50 N -4.04 2.94 -0.26 7.08 0.52 -1.10 -0.34 118.95 123.73 1fag s ARG 50 Ca 0.31 -0.81 -0.17 0.00 -0.52 0.00 0.00 55.73 54.53 1fag s ARG 50 Cb 0.03 -2.48 -0.03 0.00 0.52 0.00 0.00 34.95 32.99 1fag s ARG 50 CO 0.11 -0.14 0.49 0.71 0.02 0.00 0.00 175.30 176.49 1fag s TYR 51 N 1.13 3.26 -0.13 -0.53 1.51 -0.58 0.85 117.35 122.86 1fag s TYR 51 Ca 0.01 0.59 -0.07 0.00 -1.01 0.00 0.00 57.07 56.59 1fag s TYR 51 Cb -0.14 -2.70 -0.04 0.00 -0.11 0.00 0.00 41.96 38.97 1fag s TYR 51 CO -0.09 -0.27 0.13 -0.51 -1.11 0.00 0.00 175.55 173.69 1fag s LEU 52 N 2.27 4.28 0.00 -1.29 1.02 0.46 -2.69 118.68 122.73 1fag s LEU 52 Ca 0.20 0.39 0.00 0.00 0.02 0.00 0.00 54.13 54.74 1fag s LEU 52 Cb -0.16 -2.05 0.00 0.00 0.02 0.00 0.00 46.19 44.00 1fag s LEU 52 CO 0.09 0.36 0.00 -1.20 0.02 0.00 0.00 176.35 175.62 1fag n SER 53 N 2.32 4.23 -4.77 2.29 7.64 -0.05 -1.61 113.62 123.66 1fag n SER 53 Ca -0.19 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.30 1fag n SER 53 Cb 0.54 0.23 -0.06 0.00 -1.01 0.00 0.00 64.21 63.91 1fag n SER 53 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1fag s SER 54 N -3.42 7.44 0.24 6.43 1.04 -1.23 -2.88 113.70 121.31 1fag s SER 54 Ca 0.00 1.80 -0.05 0.00 0.48 0.00 0.00 55.95 58.18 1fag s SER 54 Cb 0.00 -2.56 0.37 0.00 0.10 0.00 0.00 66.02 63.93 1fag s SER 54 CO 0.00 0.08 1.81 -0.61 0.98 0.00 0.00 173.24 175.50 1fag h GLN 55 N 3.78 0.77 -0.15 4.02 -0.00 -1.87 0.22 115.11 121.88 1fag h GLN 55 Ca -0.46 -0.05 0.04 0.00 -0.00 0.00 0.00 58.65 58.18 1fag h GLN 55 Cb 1.20 -0.17 -0.01 0.00 0.00 0.00 0.00 27.48 28.50 1fag h GLN 55 CO 0.66 0.51 0.14 0.07 0.00 0.00 0.00 178.83 180.22 1fag h ARG 56 N 0.79 0.00 0.04 1.69 0.11 -1.93 0.45 114.38 115.54 1fag h ARG 56 Ca 0.38 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 60.09 1fag h ARG 56 Cb 0.32 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.35 1fag h ARG 56 CO -0.23 0.00 -2.23 1.28 0.10 0.00 0.00 179.97 178.89 1fag n LEU 57 N -3.96 2.24 -0.06 0.08 7.99 -0.64 -4.17 117.00 118.48 1fag n LEU 57 Ca 0.01 0.06 -0.08 0.00 -0.01 0.00 0.00 56.01 55.98 1fag n LEU 57 Cb 0.26 -0.67 -0.01 0.00 -0.11 0.00 0.00 43.42 42.89 1fag n LEU 57 CO 0.29 0.79 0.88 0.40 -1.51 0.00 0.00 177.39 178.24 1fag h ILE 58 N 0.02 0.85 -1.02 -0.08 1.08 0.14 -0.90 117.51 117.61 1fag h ILE 58 Ca -0.49 -0.04 0.25 0.00 -0.39 0.00 0.00 64.86 64.19 1fag h ILE 58 Cb 2.01 0.73 -0.12 0.00 -3.07 0.00 0.00 36.82 36.37 1fag h ILE 58 CO 0.00 0.02 0.62 0.07 -0.69 0.00 0.00 178.15 178.18 1fag h LYS 59 N 0.12 0.51 0.03 2.37 2.10 -0.32 0.24 116.57 121.61 1fag h LYS 59 Ca 0.12 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.74 1fag h LYS 59 Cb 0.13 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 1fag h LYS 59 CO -0.18 0.34 -0.02 0.93 -2.00 0.00 0.00 179.45 178.52 1fag h GLU 60 N 0.52 -0.04 -0.73 0.07 5.08 -1.45 -3.14 114.58 114.89 1fag h GLU 60 Ca 0.63 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 59.20 1fag h GLU 60 Cb 1.32 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 1fag h GLU 60 CO -0.42 0.60 0.52 0.00 -1.00 0.00 0.00 179.01 178.70 1fag h ALA 61 N 0.14 2.57 -0.02 3.43 0.00 0.19 -0.51 119.26 125.07 1fag h ALA 61 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1fag h ALA 61 Cb 0.66 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1fag h ALA 61 CO 0.01 -0.78 0.01 0.00 0.00 0.00 0.00 179.25 178.48 1fag s ASP 63 N 0.51 5.10 0.32 0.00 -4.77 -0.20 -4.95 116.67 112.69 1fag s ASP 63 Ca 0.02 -1.89 0.20 0.00 -3.30 0.00 0.00 52.55 47.57 1fag s ASP 63 Cb 0.01 -1.77 1.15 0.00 -1.09 0.00 0.00 42.92 41.22 1fag s ASP 63 CO 0.00 -0.46 1.31 -0.62 0.70 0.00 0.00 175.17 176.11 1fag n GLU 64 N 4.54 -0.05 -0.01 2.11 4.71 -1.25 -0.07 120.64 130.63 1fag n GLU 64 Ca -0.04 1.12 0.06 0.00 -0.01 0.00 0.00 57.16 58.30 1fag n GLU 64 Cb 0.42 -2.06 0.45 0.00 -1.01 0.00 0.00 31.44 29.24 1fag n GLU 64 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1fag h SER 65 N 0.00 0.43 0.00 1.62 4.64 -1.96 -3.29 113.55 114.99 1fag h SER 65 Ca 0.71 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.89 1fag h SER 65 Cb 1.99 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 63.95 1fag h SER 65 CO -0.58 0.30 -1.59 0.54 -0.87 0.00 0.00 176.83 174.64 1fag n ARG 66 N -4.48 2.09 -4.55 4.77 1.74 0.90 -4.92 116.66 112.22 1fag n ARG 66 Ca 0.04 -0.02 -0.23 0.00 -0.77 0.00 0.00 57.85 56.87 1fag n ARG 66 Cb 0.13 -1.23 -0.16 0.00 -1.02 0.00 0.00 32.46 30.17 1fag n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1fag s PHE 67 N -2.31 1.33 0.26 -1.55 0.08 -0.01 -0.25 117.98 115.52 1fag s PHE 67 Ca -0.04 -0.43 0.11 0.00 0.12 0.00 0.00 56.93 56.68 1fag s PHE 67 Cb 0.03 -0.96 -0.05 0.00 -0.57 0.00 0.00 43.02 41.47 1fag s PHE 67 CO 0.38 -0.21 -0.12 0.34 -0.10 0.00 0.00 175.22 175.50 1fag s ASP 68 N 0.49 4.00 0.19 1.36 2.15 -1.17 -3.96 116.67 119.72 1fag s ASP 68 Ca -0.10 -0.83 -0.32 0.00 0.43 0.00 0.00 52.55 51.73 1fag s ASP 68 Cb -0.13 -0.54 -0.12 0.00 -0.30 0.00 0.00 42.92 41.83 1fag s ASP 68 CO 0.02 0.04 1.75 -0.75 -0.17 0.00 0.00 175.17 176.07 1fag s LYS 69 N -3.43 4.12 0.02 4.34 2.20 -1.26 -1.69 119.74 124.05 1fag s LYS 69 Ca 0.29 2.61 0.03 0.00 -0.36 0.00 0.00 55.97 58.54 1fag s LYS 69 Cb -0.06 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 1fag s LYS 69 CO 0.16 -0.78 -0.03 1.21 -0.36 0.00 0.00 175.35 175.56 1fag s ASN 70 N 1.56 4.91 -0.60 1.43 2.47 0.55 -4.63 114.94 120.62 1fag s ASN 70 Ca 0.76 -0.10 -0.25 0.00 0.42 0.00 0.00 52.86 53.69 1fag s ASN 70 Cb -0.49 -1.21 0.04 0.00 -1.45 0.00 0.00 41.25 38.14 1fag s ASN 70 CO 0.33 0.26 1.07 -0.22 -3.72 0.00 0.00 177.10 174.82 1fag s LEU 71 N -1.65 3.82 0.89 3.21 2.96 -1.26 -4.18 118.68 122.46 1fag s LEU 71 Ca 0.20 -0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 53.67 1fag s LEU 71 Cb -0.11 -2.82 0.13 0.00 0.50 0.00 0.00 46.19 43.88 1fag s LEU 71 CO 0.11 -1.42 1.15 -0.94 -1.32 0.00 0.00 176.35 173.92 1fag s SER 72 N 3.13 3.15 0.33 3.68 1.04 -1.26 -4.61 113.70 119.16 1fag s SER 72 Ca 0.33 2.18 0.08 0.00 0.48 0.00 0.00 55.95 59.02 1fag s SER 72 Cb -0.11 -2.57 0.78 0.00 0.10 0.00 0.00 66.02 64.23 1fag s SER 72 CO 0.19 -2.95 1.81 -0.61 0.98 0.00 0.00 173.24 172.66 1fag h GLN 73 N -1.68 0.71 0.49 4.02 5.75 -1.98 0.22 115.11 122.63 1fag h GLN 73 Ca -0.43 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.01 1fag h GLN 73 Cb 1.27 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.64 1fag h GLN 73 CO 0.43 0.47 -0.43 0.00 -2.65 0.00 0.00 178.83 176.64 1fag h ALA 74 N 1.61 -1.13 -0.48 3.38 0.00 -1.91 -1.80 119.26 118.94 1fag h ALA 74 Ca 0.53 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.32 1fag h ALA 74 Cb 0.86 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1fag h ALA 74 CO -0.30 -1.14 0.32 -0.07 0.00 0.00 0.00 179.25 178.06 1fag h LEU 75 N -0.91 0.34 -1.14 0.00 3.38 -1.50 -0.13 115.31 115.36 1fag h LEU 75 Ca -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1fag h LEU 75 Cb 0.77 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1fag h LEU 75 CO -0.02 0.22 0.17 0.11 0.09 0.00 0.00 178.44 179.01 1fag h LYS 76 N 0.39 0.78 -0.04 1.13 1.57 -0.10 0.51 116.57 120.80 1fag h LYS 76 Ca 0.21 -0.13 -0.21 0.00 -1.87 0.00 0.00 60.65 58.64 1fag h LYS 76 Cb 0.32 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1fag h LYS 76 CO -0.05 0.67 -0.85 0.74 -0.57 0.00 0.00 179.45 179.39 1fag h PHE 77 N 0.76 0.63 0.00 -1.35 0.04 -0.24 -2.87 116.94 113.91 1fag h PHE 77 Ca 0.18 -0.31 -0.02 0.00 2.80 0.00 0.00 57.97 60.62 1fag h PHE 77 Cb 0.22 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 1fag h PHE 77 CO 0.01 1.11 -0.08 0.28 -0.60 0.00 0.00 178.31 179.03 1fag h VAL 78 N 0.27 0.32 -0.49 -0.55 2.07 -0.41 -2.18 116.25 115.29 1fag h VAL 78 Ca -0.06 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1fag h VAL 78 Cb 1.46 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1fag h VAL 78 CO 0.15 0.08 0.29 0.03 0.02 0.00 0.00 177.57 178.14 1fag h ARG 79 N 0.00 0.66 -1.43 1.57 3.08 -0.69 -0.28 114.38 117.30 1fag h ARG 79 Ca -0.00 -0.05 0.41 0.00 0.07 0.00 0.00 59.98 60.41 1fag h ARG 79 Cb 0.38 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 1fag h ARG 79 CO 0.01 0.47 1.03 -0.44 -1.07 0.00 0.00 179.97 179.97 1fag h ASP 80 N 0.68 0.00 0.00 7.04 3.32 -1.50 0.72 116.42 126.67 1fag h ASP 80 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1fag h ASP 80 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1fag h ASP 80 CO -0.03 0.00 -0.86 2.22 -1.72 0.00 0.00 179.24 178.84 1fag n PHE 81 N -4.09 0.00 1.18 4.55 -1.74 -0.93 -4.67 117.46 111.76 1fag n PHE 81 Ca 0.31 0.00 0.13 0.00 -0.56 0.00 0.00 57.45 57.33 1fag n PHE 81 Cb 1.49 0.00 0.25 0.00 1.52 0.00 0.00 39.48 42.74 1fag n PHE 81 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1fag n ALA 82 N -1.33 2.54 0.00 1.98 0.00 -0.16 -4.90 120.51 118.64 1fag n ALA 82 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1fag n ALA 82 Cb 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1fag n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fag n GLY 83 N 1.29 1.79 2.69 0.00 0.00 0.24 -2.01 105.19 109.20 1fag n GLY 83 Ca 0.16 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1fag n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fag n ASP 84 N -0.66 7.09 -4.87 1.61 5.68 -1.26 -4.39 116.55 119.75 1fag n ASP 84 Ca 0.00 -3.81 -0.30 0.00 -0.50 0.00 0.00 54.79 50.18 1fag n ASP 84 Cb 0.00 -0.94 0.06 0.00 -1.14 0.00 0.00 41.12 39.11 1fag n ASP 84 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1fag s GLY 85 N -1.68 1.62 0.13 6.12 0.00 -0.85 -4.57 107.32 108.09 1fag s GLY 85 Ca 0.54 -0.39 -0.24 0.00 0.00 0.00 0.00 44.72 44.63 1fag s GLY 85 CO -0.28 0.02 1.24 1.04 0.00 0.00 0.00 173.10 175.11 1fag n LEU 86 N -3.15 -0.83 -0.22 0.66 4.32 -1.26 -0.91 117.00 115.61 1fag n LEU 86 Ca 0.07 1.43 0.12 0.00 -0.02 0.00 0.00 56.01 57.61 1fag n LEU 86 Cb 0.58 -0.19 0.41 0.00 -1.62 0.00 0.00 43.42 42.59 1fag n LEU 86 CO 0.57 -1.17 1.22 0.15 -1.22 0.00 0.00 177.39 176.94 1fag h PHE 87 N 0.00 0.71 -0.22 -1.77 3.04 -1.94 -3.13 116.94 113.64 1fag h PHE 87 Ca 0.14 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1fag h PHE 87 Cb 0.34 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1fag h PHE 87 CO -0.82 0.29 0.00 0.25 -2.02 0.00 0.00 178.31 176.01 1fag n THR 88 N -4.52 0.56 -3.77 4.41 -2.24 -0.09 -5.00 114.28 103.63 1fag n THR 88 Ca 0.15 -0.78 -0.33 0.00 -2.27 0.00 0.00 64.05 60.82 1fag n THR 88 Cb 0.43 0.83 -0.05 0.00 -2.10 0.00 0.00 70.33 69.45 1fag n THR 88 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1fag s SER 89 N -1.00 6.47 0.73 3.42 1.04 -0.59 -4.74 113.70 119.03 1fag s SER 89 Ca 0.20 0.51 -0.14 0.00 0.48 0.00 0.00 55.95 57.00 1fag s SER 89 Cb 0.12 -2.06 0.04 0.00 0.10 0.00 0.00 66.02 64.21 1fag s SER 89 CO 0.16 0.18 1.14 0.26 0.98 0.00 0.00 173.24 175.96 1fag s TRP 90 N -1.44 2.31 0.09 5.02 0.52 -1.26 -4.96 118.94 119.22 1fag s TRP 90 Ca 0.33 1.60 -0.25 0.00 0.02 0.00 0.00 56.10 57.79 1fag s TRP 90 Cb -0.13 -3.27 -0.15 0.00 -1.15 0.00 0.00 33.47 28.77 1fag s TRP 90 CO 0.21 -2.14 1.70 1.15 0.02 0.00 0.00 176.95 177.90 1fag h THR 91 N -0.47 0.79 -0.45 2.01 2.02 -1.97 -3.06 112.91 111.77 1fag h THR 91 Ca -0.46 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.38 1fag h THR 91 Cb 1.26 0.79 -0.11 0.00 -1.74 0.00 0.00 68.15 68.35 1fag h THR 91 CO 0.51 0.00 0.10 1.41 0.37 0.00 0.00 175.52 177.90 1fag n HIS 92 N -5.21 0.76 -3.91 3.16 8.25 -1.26 -4.45 115.22 112.57 1fag n HIS 92 Ca -0.08 -1.75 -0.27 0.00 -0.26 0.00 0.00 57.72 55.36 1fag n HIS 92 Cb 0.13 -1.54 -0.17 0.00 1.12 0.00 0.00 29.99 29.53 1fag n HIS 92 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1fag s GLU 93 N -0.10 1.54 0.17 -0.41 2.12 -1.16 -5.04 118.70 115.82 1fag s GLU 93 Ca 0.64 -0.28 -0.03 0.00 0.36 0.00 0.00 54.97 55.66 1fag s GLU 93 Cb 0.34 -1.63 0.32 0.00 0.26 0.00 0.00 34.13 33.42 1fag s GLU 93 CO -0.09 -0.28 0.92 0.36 -0.54 0.00 0.00 175.26 175.63 1fag n LYS 94 N 4.94 -0.05 0.20 4.30 0.00 -1.26 -0.04 118.16 126.25 1fag n LYS 94 Ca -0.13 0.90 0.05 0.00 -0.00 0.00 0.00 58.31 59.14 1fag n LYS 94 Cb 0.50 -1.38 0.43 0.00 -0.00 0.00 0.00 35.03 34.58 1fag n LYS 94 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1fag h ASN 95 N 0.00 0.00 0.00 -5.58 -0.26 -1.93 -2.72 115.58 105.09 1fag h ASN 95 Ca 0.30 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.04 1fag h ASN 95 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.78 1fag h ASN 95 CO -0.59 0.31 0.00 1.87 -1.06 0.00 0.00 177.43 177.97 1fag n TRP 96 N -3.95 0.00 -0.23 1.19 -0.00 0.95 -1.24 117.44 114.16 1fag n TRP 96 Ca -0.02 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.51 1fag n TRP 96 Cb 0.38 -0.41 0.13 0.00 -0.00 0.00 0.00 31.31 31.40 1fag n TRP 96 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.69 179.26 1fag h LYS 97 N 0.00 0.12 -0.07 5.87 2.10 -1.66 0.36 116.57 123.29 1fag h LYS 97 Ca 0.00 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.66 1fag h LYS 97 Cb 0.00 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 31.26 1fag h LYS 97 CO 0.00 0.08 -0.34 -0.22 -2.00 0.00 0.00 179.45 176.98 1fag h LYS 98 N 0.13 -0.36 -0.71 0.07 3.64 -1.52 0.44 116.57 118.26 1fag h LYS 98 Ca 0.36 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 1fag h LYS 98 Cb 0.61 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1fag h LYS 98 CO -0.58 -0.24 0.42 0.00 -2.27 0.00 0.00 179.45 176.79 1fag h ALA 99 N -0.75 1.41 -0.13 5.00 0.00 -0.49 -0.59 119.26 123.71 1fag h ALA 99 Ca 0.02 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1fag h ALA 99 Cb 0.42 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1fag h ALA 99 CO -0.26 0.51 -0.19 1.25 0.00 0.00 0.00 179.25 180.56 1fag h HIS 100 N 0.98 -0.48 -0.11 0.00 -0.00 0.80 0.63 115.15 116.97 1fag h HIS 100 Ca 0.25 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.65 1fag h HIS 100 Cb -0.03 0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.61 1fag h HIS 100 CO 0.00 -0.26 0.05 -0.91 -0.00 0.00 0.00 177.93 176.81 1fag h ASN 101 N -0.23 0.15 -0.74 3.26 2.35 -0.22 0.14 115.58 120.28 1fag h ASN 101 Ca 0.10 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1fag h ASN 101 Cb 0.38 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.67 1fag h ASN 101 CO -0.27 0.24 0.41 0.40 -1.65 0.00 0.00 177.43 176.56 1fag h ILE 102 N 0.05 1.23 0.00 2.81 2.04 -0.61 -3.29 117.51 119.74 1fag h ILE 102 Ca 0.04 -0.57 -0.27 0.00 1.00 0.00 0.00 64.86 65.06 1fag h ILE 102 Cb 0.13 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 1fag h ILE 102 CO -0.00 0.25 -1.55 -0.07 0.00 0.00 0.00 178.15 176.78 1fag h LEU 103 N 1.03 0.00 -0.96 1.44 -0.00 0.37 -3.40 115.31 113.80 1fag h LEU 103 Ca 0.26 0.00 0.30 0.00 -0.00 0.00 0.00 57.88 58.45 1fag h LEU 103 Cb 0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 40.54 1fag h LEU 103 CO -0.04 1.00 0.32 0.25 -0.00 0.00 0.00 178.44 179.97 1fag h LEU 104 N 0.00 0.06 -1.95 1.67 5.85 -0.78 -0.93 115.31 119.22 1fag h LEU 104 Ca -0.22 0.23 0.21 0.00 0.84 0.00 0.00 57.88 58.94 1fag h LEU 104 Cb 1.96 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 43.25 1fag h LEU 104 CO 0.09 -0.27 0.53 -0.65 -0.34 0.00 0.00 178.44 177.80 1fag h PRO 105 N 0.13 0.04 0.00 5.25 0.11 -1.77 -1.62 132.00 134.14 1fag h PRO 105 Ca 0.67 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.78 1fag h PRO 105 Cb 1.52 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.62 1fag h PRO 105 CO -0.74 0.03 0.00 0.43 -0.21 0.00 0.00 178.00 177.51 1fag n SER 106 N -4.34 0.00 -1.94 -2.05 7.64 -0.35 -2.95 113.62 109.63 1fag n SER 106 Ca 0.15 -0.67 -0.08 0.00 1.01 0.00 0.00 58.87 59.27 1fag n SER 106 Cb 0.78 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 64.04 1fag n SER 106 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1fag n PHE 107 N -0.83 1.50 -3.59 1.43 3.72 -0.61 -4.80 117.46 114.29 1fag n PHE 107 Ca 0.08 -1.86 -0.27 0.00 -0.05 0.00 0.00 57.45 55.35 1fag n PHE 107 Cb 0.04 -0.27 -0.03 0.00 -0.94 0.00 0.00 39.48 38.28 1fag n PHE 107 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1fag s SER 108 N -3.40 6.39 0.42 4.37 1.04 -1.15 -4.92 113.70 116.45 1fag s SER 108 Ca 0.40 0.46 0.24 0.00 0.48 0.00 0.00 55.95 57.53 1fag s SER 108 Cb 0.37 -2.03 1.27 0.00 0.10 0.00 0.00 66.02 65.73 1fag s SER 108 CO -0.03 -0.11 1.70 0.06 0.98 0.00 0.00 173.24 175.84 1fag h GLN 109 N 1.76 0.22 -0.02 4.02 -0.00 -1.97 0.38 115.11 119.49 1fag h GLN 109 Ca -0.48 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.15 1fag h GLN 109 Cb 1.20 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.48 28.62 1fag h GLN 109 CO 0.67 0.15 -0.01 1.96 -0.00 0.00 0.00 178.83 181.60 1fag h GLN 110 N 0.23 0.04 -0.33 0.06 4.20 -1.96 -2.77 115.11 114.58 1fag h GLN 110 Ca 0.71 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.47 1fag h GLN 110 Cb 2.06 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.76 1fag h GLN 110 CO -0.36 0.41 -0.13 0.00 -0.67 0.00 0.00 178.83 178.08 1fag h ALA 111 N 0.63 0.14 -0.92 3.87 0.00 -0.64 0.11 119.26 122.46 1fag h ALA 111 Ca 0.00 0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.21 1fag h ALA 111 Cb 0.40 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 1fag h ALA 111 CO 0.00 -0.51 0.59 0.52 0.00 0.00 0.00 179.25 179.85 1fag h MET 112 N -0.07 0.59 0.00 0.00 2.86 -1.15 0.61 114.93 117.77 1fag h MET 112 Ca 0.17 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 1fag h MET 112 Cb 0.32 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1fag h MET 112 CO -0.38 0.39 -0.32 0.87 1.06 0.00 0.00 176.91 178.53 1fag h LYS 113 N 0.61 0.00 0.22 1.72 1.57 -0.51 -1.69 116.57 118.49 1fag h LYS 113 Ca 0.48 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.93 1fag h LYS 113 Cb 0.91 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.25 1fag h LYS 113 CO -0.23 0.32 -1.46 0.78 -0.57 0.00 0.00 179.45 178.29 1fag h GLY 114 N 0.96 0.54 0.96 3.86 0.00 0.93 -3.33 103.07 106.99 1fag h GLY 114 Ca -0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 47.33 45.91 1fag h GLY 114 CO 0.04 1.21 0.14 -0.97 0.00 0.00 0.00 176.54 176.96 1fag h TYR 115 N 0.13 0.76 -0.58 5.60 0.05 -0.85 -3.31 116.97 118.77 1fag h TYR 115 Ca -0.24 -0.08 0.14 0.00 0.05 0.00 0.00 58.73 58.60 1fag h TYR 115 Cb 2.13 -0.22 -0.11 0.00 1.01 0.00 0.00 36.73 39.54 1fag h TYR 115 CO 0.11 0.68 -0.06 1.58 -1.05 0.00 0.00 178.16 179.42 1fag n HIS 116 N -4.52 0.29 0.08 4.88 -0.00 -0.65 -0.09 115.22 115.21 1fag n HIS 116 Ca 0.01 0.71 -0.12 0.00 0.46 0.00 0.00 57.72 58.78 1fag n HIS 116 Cb 0.20 -0.89 -0.05 0.00 -0.12 0.00 0.00 29.99 29.13 1fag n HIS 116 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1fag h ALA 117 N 1.17 -0.24 -0.66 1.57 0.00 -1.78 -1.78 119.26 117.53 1fag h ALA 117 Ca 0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1fag h ALA 117 Cb 0.58 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1fag h ALA 117 CO -0.57 -0.68 0.40 0.52 0.00 0.00 0.00 179.25 178.92 1fag h MET 118 N -0.30 0.89 -0.70 0.00 2.07 -0.71 -2.23 114.93 113.95 1fag h MET 118 Ca 0.04 -0.08 0.12 0.00 -2.07 0.00 0.00 59.70 57.71 1fag h MET 118 Cb 0.34 -0.19 -0.08 0.00 -1.87 0.00 0.00 31.60 29.80 1fag h MET 118 CO -0.13 0.63 0.28 0.52 1.07 0.00 0.00 176.91 179.28 1fag h MET 119 N 0.90 0.43 -0.46 1.72 2.86 -1.03 0.89 114.93 120.25 1fag h MET 119 Ca 0.24 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1fag h MET 119 Cb -0.03 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1fag h MET 119 CO -0.05 0.29 0.21 0.28 1.06 0.00 0.00 176.91 178.70 1fag h VAL 120 N 0.45 1.16 -0.33 -2.22 2.07 -0.74 -1.22 116.25 115.42 1fag h VAL 120 Ca 0.37 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1fag h VAL 120 Cb 0.50 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1fag h VAL 120 CO -0.36 0.18 0.03 -0.78 0.02 0.00 0.00 177.57 176.67 1fag h ASP 121 N 0.64 -0.05 0.26 0.57 1.82 -0.48 0.19 116.42 119.36 1fag h ASP 121 Ca 0.16 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.85 1fag h ASP 121 Cb 0.08 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.19 1fag h ASP 121 CO -0.02 0.01 -0.12 0.40 -1.61 0.00 0.00 179.24 177.89 1fag h ILE 122 N 0.14 0.78 -0.82 2.25 1.08 -1.25 -2.52 117.51 117.17 1fag h ILE 122 Ca 0.16 -0.63 0.20 0.00 -0.39 0.00 0.00 64.86 64.20 1fag h ILE 122 Cb 0.19 1.12 -0.13 0.00 -3.07 0.00 0.00 36.82 34.93 1fag h ILE 122 CO -0.23 0.13 0.19 0.00 -0.69 0.00 0.00 178.15 177.54 1fag h ALA 123 N -0.08 1.10 -0.43 1.87 0.00 -0.96 0.54 119.26 121.31 1fag h ALA 123 Ca -0.04 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1fag h ALA 123 Cb 0.48 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1fag h ALA 123 CO 0.06 -0.41 0.22 0.28 0.00 0.00 0.00 179.25 179.39 1fag h VAL 124 N 0.22 1.17 -0.88 0.00 2.07 -0.60 -0.96 116.25 117.28 1fag h VAL 124 Ca 0.49 -0.48 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1fag h VAL 124 Cb 0.92 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 1fag h VAL 124 CO -0.61 0.19 0.51 1.56 0.02 0.00 0.00 177.57 179.25 1fag h GLN 125 N 0.56 0.81 0.86 1.57 4.20 0.40 0.24 115.11 123.75 1fag h GLN 125 Ca 0.15 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 1fag h GLN 125 Cb 0.10 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 27.71 1fag h GLN 125 CO -0.02 0.53 -0.41 1.25 -0.67 0.00 0.00 178.83 179.51 1fag h LEU 126 N 0.83 -0.98 -0.88 1.46 6.46 0.05 -0.79 115.31 121.46 1fag h LEU 126 Ca 0.43 0.03 0.17 0.00 -0.12 0.00 0.00 57.88 58.39 1fag h LEU 126 Cb 0.43 0.25 -0.10 0.00 -0.73 0.00 0.00 40.66 40.51 1fag h LEU 126 CO -0.26 -0.69 0.45 0.58 -0.62 0.00 0.00 178.44 177.89 1fag h VAL 127 N -1.19 0.68 -0.24 1.05 2.07 -0.72 0.33 116.25 118.23 1fag h VAL 127 Ca -0.12 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1fag h VAL 127 Cb 0.89 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1fag h VAL 127 CO 0.19 0.11 0.10 1.56 0.02 0.00 0.00 177.57 179.55 1fag h GLN 128 N 0.60 0.21 0.07 1.57 1.08 -0.33 0.78 115.11 119.08 1fag h GLN 128 Ca 0.50 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.71 1fag h GLN 128 Cb 0.76 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.11 1fag h GLN 128 CO -0.40 0.14 -0.29 -0.22 -0.95 0.00 0.00 178.83 177.11 1fag h LYS 129 N 0.21 -0.46 -0.37 1.46 3.64 0.52 0.39 116.57 121.96 1fag h LYS 129 Ca 0.10 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1fag h LYS 129 Cb 0.06 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1fag h LYS 129 CO -0.09 -0.31 0.19 -1.49 -2.27 0.00 0.00 179.45 175.48 1fag h TRP 130 N -0.48 0.49 -0.00 1.91 4.06 -0.67 -1.64 115.95 119.61 1fag h TRP 130 Ca 0.04 -0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.81 1fag h TRP 130 Cb 0.53 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.51 1fag h TRP 130 CO -0.29 0.36 -0.82 0.93 -3.56 0.00 0.00 178.44 175.06 1fag h GLU 131 N 0.51 0.09 -0.00 0.49 4.39 0.16 -3.13 114.58 117.09 1fag h GLU 131 Ca 0.13 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1fag h GLU 131 Cb 0.03 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1fag h GLU 131 CO -0.02 0.85 -0.02 0.54 -1.16 0.00 0.00 179.01 179.20 1fag n ARG 132 N -3.63 0.71 -1.87 2.33 1.74 0.13 -4.85 116.66 111.20 1fag n ARG 132 Ca -0.02 -0.07 -0.33 0.00 -0.77 0.00 0.00 57.85 56.67 1fag n ARG 132 Cb 0.77 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.75 1fag n ARG 132 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1fag s LEU 133 N -2.34 3.42 0.31 0.55 1.02 -0.94 -5.06 118.68 115.63 1fag s LEU 133 Ca 0.36 1.88 0.11 0.00 0.02 0.00 0.00 54.13 56.49 1fag s LEU 133 Cb 0.21 -4.54 -0.06 0.00 0.02 0.00 0.00 46.19 41.83 1fag s LEU 133 CO 0.43 -1.40 -0.13 0.54 0.02 0.00 0.00 176.35 175.81 1fag s ASN 134 N -2.78 3.75 0.00 2.29 4.22 -1.26 -5.03 114.94 116.13 1fag s ASN 134 Ca 0.65 -1.06 0.00 0.00 -2.14 0.00 0.00 52.86 50.31 1fag s ASN 134 Cb -0.18 -0.37 0.00 0.00 1.28 0.00 0.00 41.25 41.98 1fag s ASN 134 CO 0.40 -0.07 0.04 0.00 -2.04 0.00 0.00 177.10 175.44 1fag n ALA 135 N -0.73 0.00 0.19 3.54 0.00 -1.26 -0.14 120.51 122.11 1fag n ALA 135 Ca -0.05 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.55 1fag n ALA 135 Cb 0.61 0.02 0.78 0.00 0.00 0.00 0.00 19.45 20.87 1fag n ALA 135 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1fag h ASP 136 N 0.00 0.00 -4.14 0.00 2.03 -2.05 -3.43 116.42 108.83 1fag h ASP 136 Ca 0.00 0.00 -0.47 0.00 -0.73 0.00 0.00 57.03 55.83 1fag h ASP 136 Cb 0.00 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.52 1fag h ASP 136 CO 0.00 0.00 0.37 -1.61 -1.03 0.00 0.00 179.24 176.97 1fag s GLU 137 N -4.77 3.81 0.21 4.15 2.02 0.80 -5.08 118.70 119.84 1fag s GLU 137 Ca -0.05 1.15 0.01 0.00 0.02 0.00 0.00 54.97 56.10 1fag s GLU 137 Cb 0.16 -2.11 -0.05 0.00 0.10 0.00 0.00 34.13 32.24 1fag s GLU 137 CO 0.60 -0.40 0.06 -3.38 0.02 0.00 0.00 175.26 172.16 1fag s HIS 138 N -2.34 1.35 0.05 1.61 -3.43 -1.26 -4.76 115.29 106.50 1fag s HIS 138 Ca 0.63 -1.15 -0.00 0.00 -0.80 0.00 0.00 55.06 53.74 1fag s HIS 138 Cb -0.13 -0.77 -0.04 0.00 -1.43 0.00 0.00 32.58 30.21 1fag s HIS 138 CO 0.26 -0.33 0.20 0.96 -2.00 0.00 0.00 174.74 173.83 1fag s ILE 139 N -3.78 5.38 -0.51 -5.38 -4.36 0.50 -4.98 121.20 108.07 1fag s ILE 139 Ca 0.32 -0.35 -0.10 0.00 -0.26 0.00 0.00 60.65 60.26 1fag s ILE 139 Cb 0.07 -3.60 0.13 0.00 1.25 0.00 0.00 42.46 40.31 1fag s ILE 139 CO 0.09 0.18 0.40 -1.61 0.24 0.00 0.00 174.94 174.24 1fag s GLU 140 N -2.40 2.62 0.00 0.37 2.02 -1.26 -2.28 118.70 117.76 1fag s GLU 140 Ca 0.33 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 53.47 1fag s GLU 140 Cb -0.13 -3.99 0.00 0.00 0.10 0.00 0.00 34.13 30.11 1fag s GLU 140 CO 0.26 -1.22 0.72 0.28 0.02 0.00 0.00 175.26 175.33 1fag n VAL 141 N 4.80 0.00 0.06 2.63 0.31 -0.48 -1.75 118.33 123.90 1fag n VAL 141 Ca -0.06 1.22 0.21 0.00 -0.01 0.00 0.00 64.34 65.70 1fag n VAL 141 Cb 0.41 -1.95 0.74 0.00 -0.91 0.00 0.00 33.84 32.12 1fag n VAL 141 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1fag h PRO 142 N 0.00 0.00 0.19 5.55 0.13 -1.84 0.89 132.00 136.92 1fag h PRO 142 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1fag h PRO 142 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1fag h PRO 142 CO 0.00 0.00 -0.09 0.93 -0.23 0.00 0.00 178.00 178.61 1fag h GLU 143 N 0.00 -0.25 0.00 0.86 3.07 -1.85 -1.10 114.58 115.32 1fag h GLU 143 Ca 0.22 0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 59.02 1fag h GLU 143 Cb 1.06 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 1fag h GLU 143 CO -0.00 0.00 -0.36 -0.44 -1.40 0.00 0.00 179.01 176.81 1fag h ASP 144 N -0.47 0.00 0.20 1.42 3.32 -0.39 -1.73 116.42 118.77 1fag h ASP 144 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1fag h ASP 144 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1fag h ASP 144 CO 0.04 0.36 -0.10 0.24 -1.72 0.00 0.00 179.24 178.07 1fag h MET 145 N 0.00 -0.26 -0.21 3.56 2.86 -0.73 -0.56 114.93 119.59 1fag h MET 145 Ca -0.00 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 1fag h MET 145 Cb 1.00 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 1fag h MET 145 CO 0.05 0.11 0.16 1.15 1.06 0.00 0.00 176.91 179.44 1fag h THR 146 N -0.70 0.83 -0.23 2.22 2.02 -1.17 0.38 112.91 116.25 1fag h THR 146 Ca -0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1fag h THR 146 Cb 0.49 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1fag h THR 146 CO 0.04 0.00 0.07 -0.09 0.37 0.00 0.00 175.52 175.92 1fag h ARG 147 N 0.00 0.35 0.54 6.66 2.43 -0.98 -1.95 114.38 121.44 1fag h ARG 147 Ca 0.10 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1fag h ARG 147 Cb 0.43 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1fag h ARG 147 CO -0.00 0.43 -0.26 1.25 -1.51 0.00 0.00 179.97 179.88 1fag h LEU 148 N 0.20 -0.62 -0.50 3.80 5.85 0.13 -3.13 115.31 121.03 1fag h LEU 148 Ca 0.07 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.85 1fag h LEU 148 Cb 0.22 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 1fag h LEU 148 CO -0.00 -0.33 0.04 0.74 -0.34 0.00 0.00 178.44 178.54 1fag h THR 149 N -0.89 0.64 -0.52 1.05 2.02 -0.71 -1.10 112.91 113.40 1fag h THR 149 Ca -0.07 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 1fag h THR 149 Cb 0.62 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1fag h THR 149 CO 0.12 0.03 0.14 0.25 0.37 0.00 0.00 175.52 176.43 1fag h LEU 150 N 0.16 0.77 -0.72 2.58 5.85 -1.45 -2.26 115.31 120.24 1fag h LEU 150 Ca 0.26 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1fag h LEU 150 Cb 0.38 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1fag h LEU 150 CO -0.39 0.80 0.17 -0.78 -0.34 0.00 0.00 178.44 177.89 1fag h ASP 151 N 0.71 1.09 0.41 1.25 1.82 -1.40 -0.65 116.42 119.64 1fag h ASP 151 Ca 0.16 -0.24 -0.02 0.00 -0.39 0.00 0.00 57.03 56.55 1fag h ASP 151 Cb 0.32 -0.29 0.00 0.00 0.68 0.00 0.00 39.33 40.04 1fag h ASP 151 CO -0.00 1.04 -0.20 0.74 -1.61 0.00 0.00 179.24 179.22 1fag h THR 152 N 1.09 0.60 -0.56 2.25 2.02 -1.10 -0.86 112.91 116.35 1fag h THR 152 Ca 0.22 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.31 1fag h THR 152 Cb 0.38 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1fag h THR 152 CO 0.00 0.01 0.20 -0.29 0.37 0.00 0.00 175.52 175.81 1fag h ILE 153 N -0.58 1.21 -0.23 3.11 6.09 -1.36 -0.55 117.51 125.20 1fag h ILE 153 Ca -0.06 -0.70 -0.00 0.00 -1.37 0.00 0.00 64.86 62.73 1fag h ILE 153 Cb 0.44 0.57 -0.01 0.00 0.47 0.00 0.00 36.82 38.29 1fag h ILE 153 CO 0.09 0.27 0.14 1.23 -3.07 0.00 0.00 178.15 176.81 1fag h GLY 154 N 0.95 0.33 0.36 8.18 0.00 -0.83 0.95 103.07 113.00 1fag h GLY 154 Ca 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1fag h GLY 154 CO -0.01 0.13 -0.17 -2.00 0.00 0.00 0.00 176.54 174.49 1fag h LEU 155 N 0.29 -0.41 -0.54 3.11 5.85 -0.84 0.46 115.31 123.24 1fag h LEU 155 Ca 0.08 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.92 1fag h LEU 155 Cb 0.01 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.06 1fag h LEU 155 CO -0.02 -0.18 0.02 0.00 -0.34 0.00 0.00 178.44 177.92 1fag n GLY 157 N -1.33 -1.29 0.00 0.00 0.00 0.32 -4.52 105.19 98.38 1fag n GLY 157 Ca 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1fag n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fag n PHE 158 N -2.23 0.00 -3.87 1.61 3.01 -0.70 -1.73 117.46 113.56 1fag n PHE 158 Ca 0.01 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.20 1fag n PHE 158 Cb 0.49 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.97 1fag n PHE 158 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1fag n ASN 159 N 0.00 -2.74 -4.09 4.37 5.15 0.15 -4.93 115.26 113.17 1fag n ASN 159 Ca 0.00 -0.84 -0.27 0.00 -0.60 0.00 0.00 54.58 52.86 1fag n ASN 159 Cb 0.26 -3.74 -0.17 0.00 -0.53 0.00 0.00 39.78 35.60 1fag n ASN 159 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1fag s TYR 160 N -3.53 1.85 -0.45 1.20 5.04 -0.46 -4.91 117.35 116.09 1fag s TYR 160 Ca 0.34 -0.72 -0.18 0.00 -2.44 0.00 0.00 57.07 54.07 1fag s TYR 160 Cb -0.17 -1.30 0.04 0.00 0.35 0.00 0.00 41.96 40.87 1fag s TYR 160 CO 0.84 -0.33 0.50 1.03 -1.34 0.00 0.00 175.55 176.25 1fag s ARG 161 N 0.55 3.11 0.51 4.97 0.52 -1.26 -2.47 118.95 124.89 1fag s ARG 161 Ca -0.16 -0.80 0.30 0.00 -0.52 0.00 0.00 55.73 54.55 1fag s ARG 161 Cb -0.17 -4.01 1.25 0.00 0.52 0.00 0.00 34.95 32.54 1fag s ARG 161 CO 0.06 -0.98 1.95 0.74 0.02 0.00 0.00 175.30 177.09 1fag h PHE 162 N 8.81 0.00 -4.74 -0.53 0.04 -1.90 -3.46 116.94 115.16 1fag h PHE 162 Ca -0.27 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.15 1fag h PHE 162 Cb 1.10 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.23 1fag h PHE 162 CO 0.67 0.09 -0.51 0.09 -0.60 0.00 0.00 178.31 178.05 1fag n ASN 163 N -3.25 -4.42 -0.13 2.17 4.13 -1.26 -4.84 115.26 107.66 1fag n ASN 163 Ca 0.00 -0.21 0.23 0.00 1.68 0.00 0.00 54.58 56.28 1fag n ASN 163 Cb 0.34 -3.65 0.66 0.00 -1.54 0.00 0.00 39.78 35.58 1fag n ASN 163 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1fag h SER 164 N -0.81 0.10 0.00 6.41 0.02 -1.90 0.14 113.55 117.51 1fag h SER 164 Ca -0.42 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1fag h SER 164 Cb 1.29 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1fag h SER 164 CO 0.50 0.04 0.00 0.49 -1.14 0.00 0.00 176.83 176.72 1fag n PHE 165 N -4.36 0.00 -0.85 3.45 3.72 -1.26 -2.58 117.46 115.58 1fag n PHE 165 Ca 0.15 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.63 1fag n PHE 165 Cb 0.77 0.00 0.34 0.00 -0.94 0.00 0.00 39.48 39.65 1fag n PHE 165 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1fag n TYR 166 N -0.99 1.56 -3.78 1.38 4.01 0.48 -4.91 117.16 114.92 1fag n TYR 166 Ca 0.21 -0.74 -0.13 0.00 -0.16 0.00 0.00 57.90 57.08 1fag n TYR 166 Cb 0.09 -0.38 -0.13 0.00 -0.31 0.00 0.00 39.34 38.61 1fag n TYR 166 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1fag s ARG 167 N -2.53 0.17 0.24 -0.72 1.70 -1.06 -5.04 118.95 111.70 1fag s ARG 167 Ca 0.49 0.34 0.19 0.00 -0.47 0.00 0.00 55.73 56.28 1fag s ARG 167 Cb 0.36 -0.02 0.05 0.00 -0.57 0.00 0.00 34.95 34.78 1fag s ARG 167 CO 0.15 -0.09 1.22 0.38 -1.08 0.00 0.00 175.30 175.88 1fag h ASP 168 N 6.51 0.00 -3.20 -2.89 3.04 -1.91 -3.45 116.42 114.52 1fag h ASP 168 Ca -0.33 0.00 -0.63 0.00 -3.24 0.00 0.00 57.03 52.82 1fag h ASP 168 Cb 1.17 0.00 -0.15 0.00 -1.04 0.00 0.00 39.33 39.32 1fag h ASP 168 CO 0.40 0.28 -0.56 -1.10 -2.04 0.00 0.00 179.24 176.22 1fag s GLN 169 N -3.11 3.74 -0.11 4.15 -1.52 -1.26 -5.04 119.66 116.51 1fag s GLN 169 Ca 0.02 -0.32 -0.38 0.00 -1.95 0.00 0.00 55.36 52.72 1fag s GLN 169 Cb 0.08 -3.14 -0.18 0.00 -0.22 0.00 0.00 33.01 29.55 1fag s GLN 169 CO 0.76 0.42 1.09 -2.30 -0.25 0.00 0.00 175.29 175.00 1fag n PRO 170 N 3.08 0.00 -1.65 2.91 -0.02 -1.26 -4.81 135.00 133.26 1fag n PRO 170 Ca -0.17 0.00 -0.47 0.00 -2.02 0.00 0.00 63.50 60.84 1fag n PRO 170 Cb 0.53 -1.36 -0.04 0.00 -0.02 0.00 0.00 33.50 32.61 1fag n PRO 170 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1fag n HIS 171 N 1.92 1.97 -0.31 6.00 -0.00 -1.26 -4.65 115.22 118.88 1fag n HIS 171 Ca 0.21 0.45 -0.03 0.00 0.46 0.00 0.00 57.72 58.81 1fag n HIS 171 Cb 0.04 -2.44 0.01 0.00 -0.12 0.00 0.00 29.99 27.48 1fag n HIS 171 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1fag n PRO 172 N 2.40 -0.22 -0.29 1.57 -0.02 -1.26 0.67 135.00 137.84 1fag n PRO 172 Ca 0.14 1.23 0.10 0.00 -2.02 0.00 0.00 63.50 62.95 1fag n PRO 172 Cb 0.28 -1.82 0.26 0.00 -0.02 0.00 0.00 33.50 32.21 1fag n PRO 172 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1fag h PHE 173 N 0.00 0.65 0.33 6.00 3.57 -1.93 -0.41 116.94 125.16 1fag h PHE 173 Ca 0.24 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 1fag h PHE 173 Cb 0.44 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1fag h PHE 173 CO -0.73 0.03 -0.16 0.82 -2.23 0.00 0.00 178.31 176.04 1fag h ILE 174 N 0.46 0.69 -0.57 1.41 1.08 -0.10 0.33 117.51 120.82 1fag h ILE 174 Ca 0.51 -0.28 0.11 0.00 -0.39 0.00 0.00 64.86 64.82 1fag h ILE 174 Cb 0.88 0.84 -0.11 0.00 -3.07 0.00 0.00 36.82 35.36 1fag h ILE 174 CO -0.47 0.06 -0.19 0.74 -0.69 0.00 0.00 178.15 177.59 1fag h THR 175 N -0.60 0.35 -0.37 -0.27 2.02 -0.60 0.14 112.91 113.59 1fag h THR 175 Ca -0.05 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.98 1fag h THR 175 Cb 0.43 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1fag h THR 175 CO 0.07 0.00 -0.39 0.28 0.37 0.00 0.00 175.52 175.86 1fag h SER 176 N -0.06 0.95 0.31 4.18 0.02 -0.99 -2.34 113.55 115.63 1fag h SER 176 Ca 0.27 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1fag h SER 176 Cb 0.47 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 1fag h SER 176 CO -0.61 1.22 -0.36 -0.03 -1.14 0.00 0.00 176.83 175.90 1fag h MET 177 N 0.73 -0.69 -0.86 3.45 -1.53 0.12 0.17 114.93 116.32 1fag h MET 177 Ca 0.06 0.05 0.06 0.00 -3.44 0.00 0.00 59.70 56.43 1fag h MET 177 Cb 0.97 0.16 -0.05 0.00 -0.55 0.00 0.00 31.60 32.12 1fag h MET 177 CO 0.09 -0.46 0.56 -0.39 0.14 0.00 0.00 176.91 176.85 1fag h VAL 178 N -0.72 1.06 -0.42 -5.77 -1.51 -0.80 -0.98 116.25 107.11 1fag h VAL 178 Ca -0.01 -0.33 -0.01 0.00 -1.23 0.00 0.00 66.70 65.11 1fag h VAL 178 Cb 0.67 0.02 -0.02 0.00 -2.13 0.00 0.00 31.29 29.82 1fag h VAL 178 CO -0.10 0.17 0.20 0.03 -1.23 0.00 0.00 177.57 176.65 1fag h ARG 179 N 0.96 0.60 -0.54 5.19 3.08 -0.70 0.63 114.38 123.60 1fag h ARG 179 Ca 0.37 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 1fag h ARG 179 Cb 0.21 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1fag h ARG 179 CO -0.13 0.52 0.27 0.00 -1.07 0.00 0.00 179.97 179.55 1fag h ALA 180 N 1.05 0.69 -0.24 0.04 0.00 0.36 0.00 119.26 121.17 1fag h ALA 180 Ca 0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1fag h ALA 180 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1fag h ALA 180 CO -0.02 0.25 -0.01 -0.07 0.00 0.00 0.00 179.25 179.40 1fag h LEU 181 N 0.72 0.43 -1.09 0.00 3.38 -1.01 -0.67 115.31 117.07 1fag h LEU 181 Ca 0.19 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1fag h LEU 181 Cb 0.10 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1fag h LEU 181 CO -0.03 0.65 0.61 -0.78 0.09 0.00 0.00 178.44 178.99 1fag h ASP 182 N 0.20 1.00 -0.20 -0.43 3.58 -0.67 0.17 116.42 120.07 1fag h ASP 182 Ca 0.07 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 1fag h ASP 182 Cb 0.43 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1fag h ASP 182 CO 0.01 0.68 0.04 -0.08 -2.88 0.00 0.00 179.24 177.01 1fag h GLU 183 N 1.16 0.33 -0.81 0.28 4.57 -0.76 0.12 114.58 119.46 1fag h GLU 183 Ca 0.38 -0.09 0.12 0.00 -1.18 0.00 0.00 59.36 58.60 1fag h GLU 183 Cb 0.06 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.52 1fag h GLU 183 CO -0.12 0.47 0.42 0.00 -1.18 0.00 0.00 179.01 178.60 1fag h ALA 184 N 0.84 1.18 -0.51 2.92 0.00 0.05 0.32 119.26 124.06 1fag h ALA 184 Ca 0.06 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1fag h ALA 184 Cb 0.30 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1fag h ALA 184 CO 0.00 -0.04 0.03 1.98 0.00 0.00 0.00 179.25 181.23 1fag h MET 185 N 0.65 0.89 -0.41 0.00 1.85 -0.15 -2.80 114.93 114.97 1fag h MET 185 Ca 0.42 -0.27 -0.10 0.00 -0.61 0.00 0.00 59.70 59.15 1fag h MET 185 Cb 0.52 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.44 1fag h MET 185 CO -0.32 0.90 -0.15 -0.91 -0.40 0.00 0.00 176.91 176.04 1fag h ASN 186 N 0.76 0.74 -0.57 1.39 2.35 0.53 -2.87 115.58 117.91 1fag h ASN 186 Ca 0.15 -0.23 0.14 0.00 -0.55 0.00 0.00 56.30 55.81 1fag h ASN 186 Cb 0.48 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1fag h ASN 186 CO 0.02 0.90 0.40 0.11 -1.65 0.00 0.00 177.43 177.21 1fag h LYS 187 N 0.67 0.14 0.00 0.81 1.57 -0.71 -0.87 116.57 118.18 1fag h LYS 187 Ca 0.11 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1fag h LYS 187 Cb 0.63 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1fag h LYS 187 CO 0.04 0.09 -0.09 -0.07 -0.57 0.00 0.00 179.45 178.85 1fag h LEU 188 N 0.14 0.00 -1.02 2.94 3.38 -1.51 -2.68 115.31 116.57 1fag h LEU 188 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1fag h LEU 188 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1fag h LEU 188 CO -0.04 0.09 -0.18 0.00 0.09 0.00 0.00 178.44 178.41 1fag n GLN 189 N -4.30 1.44 -2.76 1.13 6.02 -0.34 -4.95 117.38 113.63 1fag n GLN 189 Ca -0.03 -1.02 -0.42 0.00 -0.01 0.00 0.00 57.00 55.53 1fag n GLN 189 Cb 0.17 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.92 1fag n GLN 189 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1fag s ARG 190 N -2.26 4.54 -0.03 -1.09 0.52 -1.01 -4.88 118.95 114.74 1fag s ARG 190 Ca 0.28 1.34 -0.19 0.00 -0.52 0.00 0.00 55.73 56.64 1fag s ARG 190 Cb 0.20 -3.46 -0.12 0.00 0.52 0.00 0.00 34.95 32.08 1fag s ARG 190 CO 0.44 -0.04 0.82 0.00 0.02 0.00 0.00 175.30 176.53 1fag h ALA 191 N 6.81 -0.44 -3.16 2.13 0.00 -1.92 -3.42 119.26 119.25 1fag h ALA 191 Ca -0.41 -0.17 -0.69 0.00 0.00 0.00 0.00 54.91 53.64 1fag h ALA 191 Cb 1.21 0.17 -0.33 0.00 0.00 0.00 0.00 17.79 18.84 1fag h ALA 191 CO 0.75 -0.46 -0.57 -0.80 0.00 0.00 0.00 179.25 178.17 1fag s ASN 192 N -5.11 5.24 0.17 0.00 0.01 -1.26 -5.02 114.94 108.97 1fag s ASN 192 Ca -0.11 -1.83 -0.25 0.00 -0.71 0.00 0.00 52.86 49.96 1fag s ASN 192 Cb 0.01 -1.83 0.05 0.00 0.41 0.00 0.00 41.25 39.89 1fag s ASN 192 CO 0.37 -0.49 1.57 -0.65 -1.51 0.00 0.00 177.10 176.38 1fag h PRO 193 N 8.08 -0.20 -0.96 -0.60 0.11 -1.98 -2.52 132.00 133.93 1fag h PRO 193 Ca -0.16 0.01 -0.23 0.00 0.11 0.00 0.00 66.00 65.74 1fag h PRO 193 Cb 1.05 0.05 -0.14 0.00 0.11 0.00 0.00 31.00 32.07 1fag h PRO 193 CO 0.68 -0.13 0.29 -3.47 -0.21 0.00 0.00 178.00 175.15 1fag n ASP 194 N -5.40 3.42 -4.71 -2.05 2.03 -1.26 -4.78 116.55 103.80 1fag n ASP 194 Ca 0.02 -2.79 -0.42 0.00 0.52 0.00 0.00 54.79 52.12 1fag n ASP 194 Cb 0.35 -0.67 -0.03 0.00 -0.72 0.00 0.00 41.12 40.05 1fag n ASP 194 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1fag s ASP 195 N -0.25 6.83 0.61 1.67 2.15 -0.95 -4.82 116.67 121.91 1fag s ASP 195 Ca 0.30 2.29 0.25 0.00 0.43 0.00 0.00 52.55 55.82 1fag s ASP 195 Cb 0.25 -2.58 1.08 0.00 -0.30 0.00 0.00 42.92 41.36 1fag s ASP 195 CO 0.06 -0.66 1.52 -0.65 -0.17 0.00 0.00 175.17 175.27 1fag h PRO 196 N 6.98 0.00 -0.83 4.34 0.11 -1.92 0.19 132.00 140.88 1fag h PRO 196 Ca -0.42 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.83 1fag h PRO 196 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 1fag h PRO 196 CO 0.87 0.00 0.54 0.00 -0.21 0.00 0.00 178.00 179.20 1fag h ALA 197 N 0.85 1.89 0.00 -0.75 0.00 -1.95 -1.15 119.26 118.15 1fag h ALA 197 Ca 0.30 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1fag h ALA 197 Cb 2.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1fag h ALA 197 CO -0.00 -0.10 0.00 0.66 0.00 0.00 0.00 179.25 179.81 1fag n TYR 198 N -4.52 0.90 -0.21 0.00 4.01 0.66 -3.89 117.16 114.11 1fag n TYR 198 Ca 0.15 0.30 0.02 0.00 -0.16 0.00 0.00 57.90 58.21 1fag n TYR 198 Cb 0.45 -0.98 0.13 0.00 -0.31 0.00 0.00 39.34 38.62 1fag n TYR 198 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1fag h ASP 199 N 0.00 0.10 -0.59 7.72 3.32 -1.35 -0.34 116.42 125.28 1fag h ASP 199 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1fag h ASP 199 Cb 0.60 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 1fag h ASP 199 CO 0.00 0.05 0.38 -0.08 -1.72 0.00 0.00 179.24 177.87 1fag h GLU 200 N 0.32 0.78 -0.29 3.56 4.57 -1.76 0.73 114.58 122.49 1fag h GLU 200 Ca 0.34 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.43 1fag h GLU 200 Cb 0.49 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 1fag h GLU 200 CO -0.39 0.53 0.03 -0.91 -1.18 0.00 0.00 179.01 177.09 1fag h ASN 201 N 0.79 0.39 -0.11 1.04 2.35 -1.53 -0.41 115.58 118.10 1fag h ASN 201 Ca 0.21 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1fag h ASN 201 Cb -0.07 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1fag h ASN 201 CO -0.04 0.43 -0.01 0.11 -1.65 0.00 0.00 177.43 176.27 1fag h LYS 202 N 0.41 0.20 -0.29 0.81 1.57 0.34 0.12 116.57 119.73 1fag h LYS 202 Ca 0.10 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1fag h LYS 202 Cb 0.23 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1fag h LYS 202 CO 0.00 0.47 0.13 -0.09 -0.57 0.00 0.00 179.45 179.39 1fag h ARG 203 N -0.09 0.27 -0.73 3.15 2.43 -0.17 -1.31 114.38 117.93 1fag h ARG 203 Ca 0.03 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1fag h ARG 203 Cb 0.38 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 1fag h ARG 203 CO 0.01 0.18 0.43 0.37 -1.51 0.00 0.00 179.97 179.45 1fag h GLN 204 N 0.28 1.00 0.27 0.20 5.75 -1.03 -1.73 115.11 119.84 1fag h GLN 204 Ca 0.12 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1fag h GLN 204 Cb 0.06 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.38 1fag h GLN 204 CO -0.10 0.71 -0.21 0.35 -2.65 0.00 0.00 178.83 176.93 1fag h PHE 205 N 1.01 -0.56 -0.41 3.99 3.57 0.10 -1.68 116.94 122.96 1fag h PHE 205 Ca 0.26 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.83 1fag h PHE 205 Cb -0.02 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 1fag h PHE 205 CO 0.00 -0.32 0.09 1.96 -2.23 0.00 0.00 178.31 177.81 1fag h GLN 206 N -0.49 0.22 -0.61 1.11 1.08 -0.91 -0.60 115.11 114.90 1fag h GLN 206 Ca -0.01 -0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.30 1fag h GLN 206 Cb 0.44 -0.05 -0.10 0.00 -0.05 0.00 0.00 27.48 27.72 1fag h GLN 206 CO -0.02 0.14 0.06 1.49 -0.95 0.00 0.00 178.83 179.55 1fag h GLU 207 N 0.22 0.17 0.00 1.46 4.81 -0.88 0.14 114.58 120.50 1fag h GLU 207 Ca 0.20 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.31 1fag h GLU 207 Cb 0.24 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1fag h GLU 207 CO -0.25 0.11 -0.51 -0.44 -0.73 0.00 0.00 179.01 177.19 1fag h ASP 208 N 0.18 0.00 -0.33 1.04 3.32 -0.55 -2.04 116.42 118.04 1fag h ASP 208 Ca 0.32 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.32 1fag h ASP 208 Cb 0.51 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1fag h ASP 208 CO -0.48 0.51 -0.00 0.40 -1.72 0.00 0.00 179.24 177.95 1fag h ILE 209 N 0.00 1.26 -0.39 0.35 2.04 0.66 -2.12 117.51 119.31 1fag h ILE 209 Ca -0.01 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 64.94 1fag h ILE 209 Cb 1.14 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.41 1fag h ILE 209 CO 0.07 0.31 0.14 0.11 0.00 0.00 0.00 178.15 178.78 1fag h LYS 210 N 0.38 0.30 -0.22 2.37 1.79 -0.55 -1.68 116.57 118.95 1fag h LYS 210 Ca 0.09 -0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.60 1fag h LYS 210 Cb 0.45 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 30.97 1fag h LYS 210 CO 0.02 0.20 -0.16 0.28 -1.08 0.00 0.00 179.45 178.70 1fag h VAL 211 N 0.31 0.54 -0.28 0.50 2.07 -1.21 0.30 116.25 118.49 1fag h VAL 211 Ca 0.18 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.76 1fag h VAL 211 Cb 0.15 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 1fag h VAL 211 CO -0.18 0.00 -0.07 0.24 0.02 0.00 0.00 177.57 177.58 1fag h MET 212 N -0.16 -0.01 -0.47 1.57 2.86 -0.71 -1.67 114.93 116.35 1fag h MET 212 Ca 0.13 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1fag h MET 212 Cb 0.35 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1fag h MET 212 CO -0.32 -0.00 0.11 -0.91 1.06 0.00 0.00 176.91 176.85 1fag h ASN 213 N -0.01 0.65 -0.90 1.22 2.35 -0.71 -1.77 115.58 116.41 1fag h ASN 213 Ca 0.14 -0.11 0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1fag h ASN 213 Cb 0.21 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.36 1fag h ASN 213 CO -0.29 0.65 0.60 0.44 -1.65 0.00 0.00 177.43 177.17 1fag h ASP 214 N 0.68 0.99 -0.30 5.81 5.19 0.48 0.97 116.42 130.25 1fag h ASP 214 Ca 0.15 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.50 1fag h ASP 214 Cb 0.26 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1fag h ASP 214 CO -0.00 0.69 -0.02 0.25 -3.12 0.00 0.00 179.24 177.04 1fag h LEU 215 N 1.15 0.53 -0.35 1.55 5.85 -0.66 -1.96 115.31 121.43 1fag h LEU 215 Ca 0.35 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.81 1fag h LEU 215 Cb -0.02 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 1fag h LEU 215 CO -0.10 0.72 -0.00 0.58 -0.34 0.00 0.00 178.44 179.30 1fag h VAL 216 N 0.32 0.74 -0.73 1.05 2.07 -0.50 0.33 116.25 119.53 1fag h VAL 216 Ca 0.08 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.70 1fag h VAL 216 Cb 0.46 0.64 -0.09 0.00 -1.52 0.00 0.00 31.29 30.78 1fag h VAL 216 CO 0.02 0.02 0.30 0.44 0.02 0.00 0.00 177.57 178.36 1fag h ASP 217 N 0.09 0.30 -0.32 0.57 5.19 -0.60 0.03 116.42 121.68 1fag h ASP 217 Ca 0.17 0.10 -0.10 0.00 -0.62 0.00 0.00 57.03 56.58 1fag h ASP 217 Cb 0.23 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 1fag h ASP 217 CO -0.29 0.13 -0.15 0.50 -3.12 0.00 0.00 179.24 176.31 1fag h LYS 218 N 0.46 0.77 -0.13 3.56 1.63 -0.38 -0.39 116.57 122.09 1fag h LYS 218 Ca 0.39 -0.28 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1fag h LYS 218 Cb 0.55 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 1fag h LYS 218 CO -0.37 0.88 0.05 0.82 -3.45 0.00 0.00 179.45 177.38 1fag h ILE 219 N 0.69 1.15 0.76 2.00 2.04 0.78 -0.55 117.51 124.37 1fag h ILE 219 Ca 0.11 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1fag h ILE 219 Cb 0.64 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1fag h ILE 219 CO 0.05 0.13 -0.46 0.40 0.00 0.00 0.00 178.15 178.27 1fag h ILE 220 N 0.05 0.08 -1.01 -0.67 2.04 -0.94 -1.11 117.51 115.96 1fag h ILE 220 Ca 0.04 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.03 1fag h ILE 220 Cb 0.16 0.08 -0.09 0.00 -0.74 0.00 0.00 36.82 36.24 1fag h ILE 220 CO -0.00 0.00 0.63 0.00 0.00 0.00 0.00 178.15 178.78 1fag h ALA 221 N -1.00 1.54 -0.29 1.87 0.00 -1.09 -0.57 119.26 119.72 1fag h ALA 221 Ca -0.10 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1fag h ALA 221 Cb 0.91 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1fag h ALA 221 CO 0.11 0.19 0.18 0.22 0.00 0.00 0.00 179.25 179.94 1fag h ASP 222 N 0.97 0.29 0.65 0.00 3.58 -0.81 -2.77 116.42 118.33 1fag h ASP 222 Ca 0.51 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.93 1fag h ASP 222 Cb 0.54 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1fag h ASP 222 CO -0.28 0.21 -0.34 -0.09 -2.88 0.00 0.00 179.24 175.86 1fag h ARG 223 N 0.36 -0.88 0.00 0.28 9.65 0.15 -2.03 114.38 121.92 1fag h ARG 223 Ca 0.11 0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1fag h ARG 223 Cb -0.01 0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 1fag h ARG 223 CO -0.05 -0.59 0.14 1.63 2.80 0.00 0.00 179.97 183.90 1fag n LYS 224 N -5.49 0.00 -3.33 0.20 5.02 -0.50 -2.29 118.16 111.77 1fag n LYS 224 Ca -0.13 0.35 -0.26 0.00 -2.02 0.00 0.00 58.31 56.24 1fag n LYS 224 Cb 0.38 -1.64 -0.08 0.00 -0.02 0.00 0.00 35.03 33.68 1fag n LYS 224 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fag n ALA 225 N -1.34 3.35 -3.69 7.82 0.00 -0.76 -5.09 120.51 120.80 1fag n ALA 225 Ca 0.00 -4.17 -0.06 0.00 0.00 0.00 0.00 53.44 49.21 1fag n ALA 225 Cb 0.14 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 1fag n ALA 225 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1fag s SER 226 N -1.87 -0.28 -0.42 0.00 0.15 -0.97 -4.87 113.70 105.44 1fag s SER 226 Ca 0.37 -0.33 -0.29 0.00 0.70 0.00 0.00 55.95 56.41 1fag s SER 226 Cb 0.15 0.54 0.02 0.00 -1.71 0.00 0.00 66.02 65.02 1fag s SER 226 CO -0.06 -0.97 1.28 -0.83 1.20 0.00 0.00 173.24 173.86 1fag s GLY 227 N -2.83 1.23 0.00 9.45 0.00 -1.26 -4.97 107.32 108.94 1fag s GLY 227 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.57 1fag s GLY 227 CO -0.01 2.59 0.00 -1.84 0.00 0.00 0.00 173.10 173.84 1fag n GLU 228 N 7.84 3.53 -3.14 2.90 0.28 -1.26 -4.85 120.64 125.94 1fag n GLU 228 Ca 0.14 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 57.00 1fag n GLU 228 Cb 0.48 0.00 0.05 0.00 1.43 0.00 0.00 31.44 33.40 1fag n GLU 228 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1fag n GLN 229 N 0.00 -4.82 -3.29 3.44 1.13 -1.26 -5.00 117.38 107.58 1fag n GLN 229 Ca 0.00 0.51 -0.39 0.00 -1.94 0.00 0.00 57.00 55.18 1fag n GLN 229 Cb 0.00 -4.59 -0.08 0.00 0.11 0.00 0.00 30.24 25.68 1fag n GLN 229 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1fag s SER 230 N -3.28 6.40 -1.19 1.08 0.01 -1.26 -4.98 113.70 110.48 1fag s SER 230 Ca 0.31 0.48 -0.08 0.00 1.31 0.00 0.00 55.95 57.97 1fag s SER 230 Cb -0.14 -2.26 0.23 0.00 0.21 0.00 0.00 66.02 64.06 1fag s SER 230 CO 0.45 -0.23 1.59 0.47 0.41 0.00 0.00 173.24 175.92 1fag n ASP 231 N 5.32 5.58 -2.51 2.44 8.00 -1.26 -4.57 116.55 129.55 1fag n ASP 231 Ca -0.06 -3.17 -0.06 0.00 0.71 0.00 0.00 54.79 52.21 1fag n ASP 231 Cb 0.50 -1.42 -0.01 0.00 -0.02 0.00 0.00 41.12 40.18 1fag n ASP 231 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1fag n ASP 232 N 3.23 1.91 -0.26 -2.24 5.68 -1.26 -5.02 116.55 118.59 1fag n ASP 232 Ca 0.33 -1.39 -0.01 0.00 -0.50 0.00 0.00 54.79 53.22 1fag n ASP 232 Cb 0.37 0.04 0.11 0.00 -1.14 0.00 0.00 41.12 40.50 1fag n ASP 232 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1fag h LEU 233 N 0.00 0.65 0.44 -2.12 6.46 -1.74 -2.64 115.31 116.36 1fag h LEU 233 Ca -0.07 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 1fag h LEU 233 Cb 0.24 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1fag h LEU 233 CO 0.12 0.42 -0.21 0.25 -0.62 0.00 0.00 178.44 178.39 1fag h LEU 234 N 0.78 -0.50 -1.49 2.25 5.85 -1.71 0.58 115.31 121.06 1fag h LEU 234 Ca 0.32 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.15 1fag h LEU 234 Cb 0.18 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1fag h LEU 234 CO -0.18 -0.35 0.46 0.71 -0.34 0.00 0.00 178.44 178.74 1fag h THR 235 N -0.60 0.91 -0.26 1.05 1.35 -1.78 -0.20 112.91 113.38 1fag h THR 235 Ca -0.06 -0.19 -0.15 0.00 -0.55 0.00 0.00 66.41 65.46 1fag h THR 235 Cb 0.46 0.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.17 1fag h THR 235 CO 0.10 0.10 -0.45 0.45 -0.25 0.00 0.00 175.52 175.48 1fag h HIS 236 N 0.56 0.81 -0.19 4.73 3.86 -1.02 1.09 115.15 124.99 1fag h HIS 236 Ca 0.33 -0.25 -0.12 0.00 -1.16 0.00 0.00 60.37 59.16 1fag h HIS 236 Cb 0.51 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 1fag h HIS 236 CO -0.00 0.99 -0.40 0.52 0.86 0.00 0.00 177.93 179.90 1fag h MET 237 N 0.54 0.44 0.09 2.45 2.07 0.31 0.27 114.93 121.10 1fag h MET 237 Ca 0.04 -0.22 -0.28 0.00 -2.07 0.00 0.00 59.70 57.17 1fag h MET 237 Cb 0.99 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.70 1fag h MET 237 CO 0.09 0.77 -1.40 -0.07 1.07 0.00 0.00 176.91 177.37 1fag h LEU 238 N 0.37 0.31 0.00 1.22 3.38 -0.83 -3.37 115.31 116.38 1fag h LEU 238 Ca 0.03 -0.40 -0.41 0.00 0.09 0.00 0.00 57.88 57.20 1fag h LEU 238 Cb 0.87 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 1fag h LEU 238 CO 0.07 1.32 -2.36 0.59 0.09 0.00 0.00 178.44 178.15 1fag n ASN 239 N -3.42 1.78 -4.48 -0.43 5.03 0.37 -4.91 115.26 109.21 1fag n ASN 239 Ca -0.12 0.25 -0.55 0.00 0.87 0.00 0.00 54.58 55.02 1fag n ASN 239 Cb 1.02 -0.68 -0.06 0.00 -1.02 0.00 0.00 39.78 39.04 1fag n ASN 239 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1fag n GLY 240 N 1.57 -0.63 3.46 7.41 0.00 0.96 -4.88 105.19 113.09 1fag n GLY 240 Ca -0.47 0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1fag n GLY 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fag s LYS 241 N -0.27 1.97 -0.11 1.61 -0.14 -1.26 -4.13 119.74 117.42 1fag s LYS 241 Ca 0.83 -1.04 -0.29 0.00 -1.36 0.00 0.00 55.97 54.10 1fag s LYS 241 Cb -1.15 -2.15 -0.05 0.00 -1.68 0.00 0.00 37.83 32.80 1fag s LYS 241 CO 0.56 0.52 1.69 0.34 -0.76 0.00 0.00 175.35 177.70 1fag s ASP 242 N -1.62 6.51 0.33 2.83 2.15 0.17 -4.73 116.67 122.31 1fag s ASP 242 Ca 0.15 2.06 0.04 0.00 0.43 0.00 0.00 52.55 55.24 1fag s ASP 242 Cb -0.10 -2.53 0.66 0.00 -0.30 0.00 0.00 42.92 40.65 1fag s ASP 242 CO 0.06 -1.08 1.91 -0.65 -0.17 0.00 0.00 175.17 175.25 1fag h PRO 243 N 10.21 0.84 0.03 4.34 0.11 -1.92 0.81 132.00 146.42 1fag h PRO 243 Ca -0.38 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.54 1fag h PRO 243 Cb 1.18 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 32.11 1fag h PRO 243 CO 0.97 0.56 -0.54 0.93 -0.21 0.00 0.00 178.00 179.70 1fag h GLU 244 N 0.86 0.32 0.00 1.05 3.07 -1.96 -3.39 114.58 114.52 1fag h GLU 244 Ca 0.39 -0.38 -0.36 0.00 -0.50 0.00 0.00 59.36 58.50 1fag h GLU 244 Cb 0.35 0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 28.31 1fag h GLU 244 CO -0.15 1.09 -2.34 0.25 -1.40 0.00 0.00 179.01 176.46 1fag n THR 245 N -4.28 1.41 -0.22 1.13 -2.24 -1.18 -5.00 114.28 103.91 1fag n THR 245 Ca -0.11 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 1fag n THR 245 Cb 0.66 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1fag n THR 245 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fag n GLY 246 N 1.76 0.70 3.85 3.38 0.00 0.28 -5.00 105.19 110.16 1fag n GLY 246 Ca -0.32 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1fag n GLY 246 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fag s GLU 247 N -0.71 3.23 0.12 1.61 2.02 -1.26 -4.50 118.70 119.20 1fag s GLU 247 Ca 0.00 -0.48 -0.01 0.00 0.02 0.00 0.00 54.97 54.50 1fag s GLU 247 Cb 0.00 -2.94 0.02 0.00 0.10 0.00 0.00 34.13 31.31 1fag s GLU 247 CO 0.00 0.62 0.16 -0.35 0.02 0.00 0.00 175.26 175.71 1fag n PRO 248 N 0.67 0.34 -2.60 0.39 -0.04 -1.26 -0.65 135.00 131.86 1fag n PRO 248 Ca -0.09 -0.38 -0.41 0.00 -0.04 0.00 0.00 63.50 62.57 1fag n PRO 248 Cb 0.52 -0.12 -0.04 0.00 -0.04 0.00 0.00 33.50 33.82 1fag n PRO 248 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fag s LEU 249 N 0.00 4.44 0.61 1.53 1.43 -1.26 -4.89 118.68 120.54 1fag s LEU 249 Ca 0.10 1.90 -0.14 0.00 -1.03 0.00 0.00 54.13 54.97 1fag s LEU 249 Cb -0.00 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 1fag s LEU 249 CO 0.07 -0.24 1.04 1.51 0.23 0.00 0.00 176.35 178.96 1fag s ASP 250 N 0.38 5.96 0.20 2.29 -4.77 -1.26 -4.77 116.67 114.70 1fag s ASP 250 Ca 0.51 1.63 -0.19 0.00 -3.30 0.00 0.00 52.55 51.20 1fag s ASP 250 Cb -0.26 -2.50 0.16 0.00 -1.09 0.00 0.00 42.92 39.23 1fag s ASP 250 CO 0.31 -1.05 1.59 0.44 0.70 0.00 0.00 175.17 177.16 1fag h ASP 251 N 0.09 -1.07 -0.59 2.11 3.32 -1.97 0.81 116.42 119.11 1fag h ASP 251 Ca -0.45 0.23 0.10 0.00 0.02 0.00 0.00 57.03 56.93 1fag h ASP 251 Cb 1.20 0.56 -0.08 0.00 0.22 0.00 0.00 39.33 41.23 1fag h ASP 251 CO 0.59 -0.29 0.16 -0.08 -1.72 0.00 0.00 179.24 177.90 1fag h GLU 252 N -0.12 0.30 0.00 3.56 4.81 -2.00 -0.79 114.58 120.33 1fag h GLU 252 Ca 0.26 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.30 1fag h GLU 252 Cb 0.55 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1fag h GLU 252 CO -0.71 0.20 -0.83 -0.97 -0.73 0.00 0.00 179.01 175.97 1fag h ASN 253 N 0.31 0.02 -0.57 1.04 -0.73 -1.74 -2.67 115.58 111.22 1fag h ASN 253 Ca 0.31 -0.01 0.01 0.00 1.87 0.00 0.00 56.30 58.48 1fag h ASN 253 Cb 0.43 -0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.99 1fag h ASN 253 CO -0.36 0.84 0.37 0.40 -0.37 0.00 0.00 177.43 178.31 1fag h ILE 254 N 0.01 1.13 0.12 2.57 2.04 0.15 0.40 117.51 123.92 1fag h ILE 254 Ca -0.01 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1fag h ILE 254 Cb 1.47 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1fag h ILE 254 CO 0.11 0.14 -0.12 0.03 0.00 0.00 0.00 178.15 178.31 1fag h ARG 255 N 0.76 -0.26 -0.74 2.37 3.08 -1.13 -1.31 114.38 117.16 1fag h ARG 255 Ca 0.21 0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.44 1fag h ARG 255 Cb -0.06 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1fag h ARG 255 CO -0.06 -0.17 0.50 1.88 -1.07 0.00 0.00 179.97 181.05 1fag h TYR 256 N -0.27 0.38 -0.13 3.04 0.05 -0.92 0.15 116.97 119.26 1fag h TYR 256 Ca 0.01 0.01 -0.16 0.00 0.05 0.00 0.00 58.73 58.63 1fag h TYR 256 Cb 0.26 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1fag h TYR 256 CO -0.12 0.14 -0.61 1.96 -1.05 0.00 0.00 178.16 178.47 1fag h GLN 257 N 0.32 0.46 0.70 4.88 1.08 0.81 -1.51 115.11 121.84 1fag h GLN 257 Ca 0.36 -0.32 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 1fag h GLN 257 Cb 0.96 0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.44 1fag h GLN 257 CO -0.10 0.93 -0.33 0.82 -0.95 0.00 0.00 178.83 179.20 1fag h ILE 258 N 0.34 0.13 -0.45 2.54 2.04 0.02 0.51 117.51 122.64 1fag h ILE 258 Ca -0.01 -0.27 0.09 0.00 1.00 0.00 0.00 64.86 65.68 1fag h ILE 258 Cb 1.15 0.17 -0.10 0.00 -0.74 0.00 0.00 36.82 37.31 1fag h ILE 258 CO 0.11 0.02 -0.28 0.40 0.00 0.00 0.00 178.15 178.39 1fag h ILE 259 N -1.17 0.27 -0.29 -0.67 2.04 -1.38 0.96 117.51 117.28 1fag h ILE 259 Ca -0.10 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.83 1fag h ILE 259 Cb 0.74 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 1fag h ILE 259 CO 0.16 0.00 -0.12 0.74 0.00 0.00 0.00 178.15 178.92 1fag h THR 260 N -0.19 0.60 0.00 -0.27 2.02 -1.22 -0.78 112.91 113.06 1fag h THR 260 Ca 0.20 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.32 1fag h THR 260 Cb 0.51 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1fag h THR 260 CO -0.56 0.00 -0.27 -0.26 0.37 0.00 0.00 175.52 174.80 1fag h PHE 261 N -0.07 0.00 -0.06 3.16 -1.00 0.05 0.66 116.94 119.67 1fag h PHE 261 Ca 0.15 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.87 1fag h PHE 261 Cb 0.30 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.86 1fag h PHE 261 CO -0.32 0.27 -0.18 -0.07 -1.61 0.00 0.00 178.31 176.39 1fag h LEU 262 N 0.00 0.27 0.00 1.54 3.38 -0.08 -0.88 115.31 119.54 1fag h LEU 262 Ca -0.00 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1fag h LEU 262 Cb 0.70 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1fag h LEU 262 CO 0.04 0.83 0.00 -0.38 0.09 0.00 0.00 178.44 179.02 1fag n ILE 263 N -4.57 0.00 0.17 1.22 5.41 -0.37 -3.39 119.36 117.83 1fag n ILE 263 Ca -0.08 0.82 0.18 0.00 1.00 0.00 0.00 62.75 64.67 1fag n ILE 263 Cb 0.42 -1.71 0.76 0.00 -0.71 0.00 0.00 39.64 38.39 1fag n ILE 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1fag h ALA 264 N -2.00 1.86 -0.45 -1.39 0.00 -1.04 -1.28 119.26 114.96 1fag h ALA 264 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fag h ALA 264 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1fag h ALA 264 CO 0.00 -0.56 0.00 0.41 0.00 0.00 0.00 179.25 179.10 1fag n GLY 265 N -1.40 1.34 0.00 0.00 0.00 -0.33 -4.57 105.19 100.22 1fag n GLY 265 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1fag n GLY 265 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1fag n HIS 266 N 0.79 0.00 0.13 1.61 1.44 -0.51 -4.71 115.22 113.97 1fag n HIS 266 Ca 0.16 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.73 1fag n HIS 266 Cb 0.45 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.48 1fag n HIS 266 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1fag h GLU 267 N 0.00 -0.30 -0.71 -1.40 4.57 -1.74 -2.27 114.58 112.73 1fag h GLU 267 Ca 0.00 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.25 1fag h GLU 267 Cb 0.00 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 1fag h GLU 267 CO 0.00 -0.02 0.47 1.79 -1.18 0.00 0.00 179.01 180.07 1fag h THR 268 N -0.57 1.05 -0.15 0.32 1.35 -1.82 -1.37 112.91 111.73 1fag h THR 268 Ca -0.03 -0.27 -0.17 0.00 -0.55 0.00 0.00 66.41 65.39 1fag h THR 268 Cb 0.42 0.20 0.01 0.00 -1.73 0.00 0.00 68.15 67.05 1fag h THR 268 CO 0.05 0.14 -0.56 0.74 -0.25 0.00 0.00 175.52 175.65 1fag h THR 269 N 0.78 1.33 -0.79 6.82 2.02 -1.87 -1.83 112.91 119.36 1fag h THR 269 Ca 0.30 -1.81 -0.03 0.00 0.77 0.00 0.00 66.41 65.63 1fag h THR 269 Cb 0.18 2.02 -0.04 0.00 -1.74 0.00 0.00 68.15 68.58 1fag h THR 269 CO -0.09 0.56 0.36 0.77 0.37 0.00 0.00 175.52 177.49 1fag h SER 270 N 0.31 1.05 -0.51 4.18 4.64 -1.05 -0.02 113.55 122.15 1fag h SER 270 Ca -0.03 -0.13 0.05 0.00 -0.47 0.00 0.00 61.79 61.21 1fag h SER 270 Cb 1.18 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.96 1fag h SER 270 CO 0.12 0.90 0.26 1.23 -0.87 0.00 0.00 176.83 178.46 1fag h GLY 271 N 1.16 0.71 0.75 -0.77 0.00 -1.18 -0.03 103.07 103.72 1fag h GLY 271 Ca 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1fag h GLY 271 CO -0.03 0.11 -0.25 -2.00 0.00 0.00 0.00 176.54 174.37 1fag h LEU 272 N 0.50 -0.66 -1.13 3.11 5.85 -0.32 -0.44 115.31 122.22 1fag h LEU 272 Ca 0.23 0.06 0.05 0.00 0.84 0.00 0.00 57.88 59.05 1fag h LEU 272 Cb 0.14 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 1fag h LEU 272 CO -0.16 -0.37 0.59 -0.07 -0.34 0.00 0.00 178.44 178.09 1fag h LEU 273 N -0.55 0.95 -0.42 2.25 3.38 -0.64 0.93 115.31 121.21 1fag h LEU 273 Ca -0.01 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1fag h LEU 273 Cb 0.50 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1fag h LEU 273 CO -0.03 0.64 0.06 0.28 0.09 0.00 0.00 178.44 179.48 1fag h SER 274 N 1.10 0.68 -0.06 -0.43 0.02 -0.56 -0.53 113.55 113.77 1fag h SER 274 Ca 0.37 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1fag h SER 274 Cb 0.08 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 1fag h SER 274 CO -0.12 0.78 0.01 -0.26 -1.14 0.00 0.00 176.83 176.09 1fag h PHE 275 N 0.56 0.12 -0.25 3.45 0.04 -0.64 -1.45 116.94 118.76 1fag h PHE 275 Ca 0.13 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.94 1fag h PHE 275 Cb 0.39 -0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.44 1fag h PHE 275 CO 0.03 0.35 -0.17 0.00 -0.60 0.00 0.00 178.31 177.92 1fag h ALA 276 N 0.75 0.01 -0.66 2.45 0.00 -0.69 -0.09 119.26 121.02 1fag h ALA 276 Ca 0.02 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1fag h ALA 276 Cb 0.30 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1fag h ALA 276 CO 0.00 -0.58 0.39 1.25 0.00 0.00 0.00 179.25 180.31 1fag h LEU 277 N -0.15 0.79 0.53 0.00 5.85 -1.05 0.59 115.31 121.86 1fag h LEU 277 Ca 0.14 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1fag h LEU 277 Cb 0.37 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1fag h LEU 277 CO -0.35 0.62 -0.33 0.22 -0.34 0.00 0.00 178.44 178.26 1fag h TYR 278 N 0.91 -0.87 -0.84 1.25 3.20 -0.01 -0.68 116.97 119.92 1fag h TYR 278 Ca 0.24 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.15 1fag h TYR 278 Cb -0.02 0.31 -0.06 0.00 1.54 0.00 0.00 36.73 38.51 1fag h TYR 278 CO 0.00 -0.50 0.53 0.74 -1.64 0.00 0.00 178.16 177.29 1fag h PHE 279 N -0.82 0.98 -0.27 -3.82 0.04 -0.60 0.14 116.94 112.59 1fag h PHE 279 Ca -0.06 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.75 1fag h PHE 279 Cb 0.67 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 1fag h PHE 279 CO -0.10 0.52 0.16 -0.07 -0.60 0.00 0.00 178.31 178.21 1fag h LEU 280 N 0.98 0.25 -0.87 1.54 3.38 -0.63 0.30 115.31 120.27 1fag h LEU 280 Ca 0.36 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 1fag h LEU 280 Cb 0.11 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1fag h LEU 280 CO -0.15 0.19 0.39 0.58 0.09 0.00 0.00 178.44 179.53 1fag h VAL 281 N 0.32 1.26 0.00 1.22 2.07 -0.47 -2.06 116.25 118.59 1fag h VAL 281 Ca 0.11 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1fag h VAL 281 Cb -0.00 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1fag h VAL 281 CO -0.05 0.32 0.00 0.11 0.02 0.00 0.00 177.57 177.97 1fag h LYS 282 N 1.19 0.00 -2.15 1.57 1.79 -0.45 -3.34 116.57 115.18 1fag h LYS 282 Ca 0.28 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 58.17 1fag h LYS 282 Cb 0.14 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.37 1fag h LYS 282 CO -0.03 0.00 -0.72 0.09 -1.08 0.00 0.00 179.45 177.71 1fag n ASN 283 N -3.05 2.96 -0.39 0.86 3.02 0.10 -4.99 115.26 113.77 1fag n ASN 283 Ca 0.03 -3.28 0.31 0.00 -0.03 0.00 0.00 54.58 51.60 1fag n ASN 283 Cb 0.43 -0.66 0.59 0.00 -0.61 0.00 0.00 39.78 39.53 1fag n ASN 283 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1fag h PRO 284 N 4.06 0.19 -0.06 3.52 0.13 -1.65 0.67 132.00 138.86 1fag h PRO 284 Ca 0.17 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 65.10 1fag h PRO 284 Cb 0.71 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1fag h PRO 284 CO 0.75 0.12 -0.75 0.45 -0.23 0.00 0.00 178.00 178.34 1fag h HIS 285 N 0.19 0.48 -0.32 1.56 3.86 -1.94 0.33 115.15 119.32 1fag h HIS 285 Ca 0.75 -0.22 -0.16 0.00 -1.16 0.00 0.00 60.37 59.59 1fag h HIS 285 Cb 2.16 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 30.56 1fag h HIS 285 CO -0.01 0.97 -0.43 0.28 0.86 0.00 0.00 177.93 179.61 1fag h VAL 286 N 0.23 1.28 -0.07 2.45 2.07 -1.23 -0.03 116.25 120.96 1fag h VAL 286 Ca -0.03 -1.61 0.01 0.00 0.82 0.00 0.00 66.70 65.88 1fag h VAL 286 Cb 1.32 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1fag h VAL 286 CO 0.12 0.53 0.02 0.25 0.02 0.00 0.00 177.57 178.51 1fag h LEU 287 N 0.65 0.02 -0.54 2.57 6.46 -1.08 -0.51 115.31 122.88 1fag h LEU 287 Ca 0.04 0.01 0.09 0.00 -0.12 0.00 0.00 57.88 57.91 1fag h LEU 287 Cb 1.00 0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.86 1fag h LEU 287 CO 0.10 0.02 0.11 -0.61 -0.62 0.00 0.00 178.44 177.44 1fag h GLN 288 N 0.05 0.24 0.43 1.25 4.15 0.17 0.36 115.11 121.76 1fag h GLN 288 Ca 0.03 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1fag h GLN 288 Cb 0.02 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1fag h GLN 288 CO -0.03 0.16 -0.21 0.87 -1.93 0.00 0.00 178.83 177.69 1fag h LYS 289 N 0.25 -0.56 -0.49 1.69 1.57 -0.48 -1.99 116.57 116.56 1fag h LYS 289 Ca 0.27 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.17 1fag h LYS 289 Cb 0.38 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1fag h LYS 289 CO -0.35 -0.34 0.33 0.00 -0.57 0.00 0.00 179.45 178.52 1fag h ALA 290 N -0.06 2.02 0.29 3.86 0.00 -0.42 -1.66 119.26 123.29 1fag h ALA 290 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1fag h ALA 290 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1fag h ALA 290 CO 0.10 -0.12 -0.14 0.00 0.00 0.00 0.00 179.25 179.08 1fag h ALA 291 N 1.74 -0.39 -0.39 0.00 0.00 0.15 -1.86 119.26 118.50 1fag h ALA 291 Ca 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1fag h ALA 291 Cb 0.44 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1fag h ALA 291 CO -0.05 -0.65 0.17 1.05 0.00 0.00 0.00 179.25 179.77 1fag h GLU 292 N -0.54 0.58 -0.64 0.00 4.11 -0.87 0.11 114.58 117.34 1fag h GLU 292 Ca -0.04 -0.10 0.10 0.00 0.07 0.00 0.00 59.36 59.39 1fag h GLU 292 Cb 0.40 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 1fag h GLU 292 CO 0.07 0.54 0.23 1.49 0.07 0.00 0.00 179.01 181.41 1fag h GLU 293 N 0.49 0.39 0.71 1.06 4.22 -1.33 0.13 114.58 120.26 1fag h GLU 293 Ca 0.13 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.51 1fag h GLU 293 Cb 0.17 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.34 1fag h GLU 293 CO -0.01 0.26 -0.34 0.00 -2.18 0.00 0.00 179.01 176.74 1fag h ALA 294 N 1.45 -0.95 -1.44 2.92 0.00 -0.94 -1.90 119.26 118.39 1fag h ALA 294 Ca 0.33 -0.22 0.42 0.00 0.00 0.00 0.00 54.91 55.44 1fag h ALA 294 Cb 0.43 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1fag h ALA 294 CO -0.33 -0.97 1.03 0.00 0.00 0.00 0.00 179.25 178.98 1fag h ALA 295 N -0.90 3.32 0.04 0.00 0.00 0.45 -0.05 119.26 122.12 1fag h ALA 295 Ca -0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1fag h ALA 295 Cb 0.76 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1fag h ALA 295 CO 0.16 -1.74 -0.02 0.00 0.00 0.00 0.00 179.25 177.65 1fag h ARG 296 N 0.02 -0.05 -0.25 0.00 3.08 -0.48 -3.40 114.38 113.30 1fag h ARG 296 Ca 0.69 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.55 1fag h ARG 296 Cb 2.73 0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.80 1fag h ARG 296 CO -0.03 0.48 -0.61 0.28 -1.07 0.00 0.00 179.97 179.02 1fag h VAL 297 N -0.97 1.28 -0.89 2.04 2.07 -0.32 -3.38 116.25 116.08 1fag h VAL 297 Ca -0.01 -1.80 -0.73 0.00 0.82 0.00 0.00 66.70 64.98 1fag h VAL 297 Cb 0.55 1.72 -0.10 0.00 -1.52 0.00 0.00 31.29 31.95 1fag h VAL 297 CO 0.01 0.58 2.59 0.18 0.02 0.00 0.00 177.57 180.95 1fag n LEU 298 N -3.98 7.40 0.09 2.57 4.77 -0.19 -4.67 117.00 122.99 1fag n LEU 298 Ca -0.05 -4.59 -0.01 0.00 -0.03 0.00 0.00 56.01 51.32 1fag n LEU 298 Cb 0.66 -1.49 0.26 0.00 -2.33 0.00 0.00 43.42 40.52 1fag n LEU 298 CO 0.51 1.63 0.70 -0.37 -1.33 0.00 0.00 177.39 178.54 1fag h VAL 299 N 3.35 1.28 -3.61 4.08 -1.51 -1.82 -3.43 116.25 114.58 1fag h VAL 299 Ca 0.58 -1.34 -0.51 0.00 -1.23 0.00 0.00 66.70 64.20 1fag h VAL 299 Cb 0.49 1.56 -0.03 0.00 -2.13 0.00 0.00 31.29 31.18 1fag h VAL 299 CO 1.65 0.40 0.16 -1.81 -1.23 0.00 0.00 177.57 176.75 1fag s ASP 300 N -6.87 7.17 0.47 4.19 1.01 -1.26 -4.94 116.67 116.43 1fag s ASP 300 Ca -0.05 1.53 0.22 0.00 0.71 0.00 0.00 52.55 54.96 1fag s ASP 300 Cb 0.14 -2.46 1.24 0.00 1.01 0.00 0.00 42.92 42.85 1fag s ASP 300 CO 0.76 0.05 1.91 -0.65 0.21 0.00 0.00 175.17 177.46 1fag h PRO 301 N 3.56 0.22 -4.68 8.23 0.11 -1.86 -3.35 132.00 134.23 1fag h PRO 301 Ca -0.48 -0.01 -0.62 0.00 0.11 0.00 0.00 66.00 65.00 1fag h PRO 301 Cb 1.20 -0.05 -0.36 0.00 0.11 0.00 0.00 31.00 31.89 1fag h PRO 301 CO 0.65 0.14 -0.82 0.08 -0.21 0.00 0.00 178.00 177.84 1fag s VAL 302 N -5.23 1.69 0.53 3.15 1.01 -1.26 -4.69 120.40 115.60 1fag s VAL 302 Ca -0.07 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 1fag s VAL 302 Cb 0.21 -1.67 -0.08 0.00 0.00 0.00 0.00 36.38 34.84 1fag s VAL 302 CO 0.76 0.31 0.79 -2.65 0.00 0.00 0.00 175.10 174.31 1fag n PRO 303 N 4.70 0.85 -4.03 2.72 -0.02 -1.26 -5.05 135.00 132.91 1fag n PRO 303 Ca -0.16 0.32 -0.22 0.00 -2.02 0.00 0.00 63.50 61.42 1fag n PRO 303 Cb 0.48 -1.92 -0.04 0.00 -0.02 0.00 0.00 33.50 32.00 1fag n PRO 303 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1fag s SER 304 N -1.07 5.39 0.28 2.55 1.04 -1.26 -4.97 113.70 115.66 1fag s SER 304 Ca 0.69 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.78 1fag s SER 304 Cb -0.48 -1.23 0.56 0.00 0.10 0.00 0.00 66.02 64.97 1fag s SER 304 CO 0.53 -0.14 1.83 0.22 0.98 0.00 0.00 173.24 176.65 1fag h TYR 305 N 1.43 1.12 0.11 5.02 5.03 -1.96 -0.44 116.97 127.28 1fag h TYR 305 Ca -0.47 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 60.87 1fag h TYR 305 Cb 1.24 -0.35 0.00 0.00 1.55 0.00 0.00 36.73 39.17 1fag h TYR 305 CO 0.56 0.42 -0.05 0.87 -1.32 0.00 0.00 178.16 178.64 1fag h LYS 306 N 0.96 -0.14 -0.95 1.82 1.79 -1.99 -2.53 116.57 115.53 1fag h LYS 306 Ca 0.50 0.01 0.17 0.00 -2.18 0.00 0.00 60.65 59.15 1fag h LYS 306 Cb 0.52 0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 31.12 1fag h LYS 306 CO -0.28 0.29 0.60 1.96 -1.08 0.00 0.00 179.45 180.95 1fag h GLN 307 N -0.64 0.67 -0.65 3.15 4.20 -1.74 0.18 115.11 120.30 1fag h GLN 307 Ca -0.02 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 1fag h GLN 307 Cb 0.50 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1fag h GLN 307 CO 0.02 0.45 0.08 0.28 -0.67 0.00 0.00 178.83 178.99 1fag h VAL 308 N 0.69 1.26 0.00 -0.54 2.07 -1.03 -1.92 116.25 116.79 1fag h VAL 308 Ca 0.50 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1fag h VAL 308 Cb 0.85 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1fag h VAL 308 CO -0.26 0.39 0.00 0.29 0.02 0.00 0.00 177.57 178.01 1fag n LYS 309 N -4.21 0.12 0.00 1.57 4.76 0.56 -1.84 118.16 119.12 1fag n LYS 309 Ca 0.04 0.32 0.12 0.00 -2.87 0.00 0.00 58.31 55.92 1fag n LYS 309 Cb 0.30 -1.71 0.28 0.00 -1.84 0.00 0.00 35.03 32.06 1fag n LYS 309 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1fag n GLN 310 N -1.93 0.57 -1.27 1.97 6.02 -0.64 -4.52 117.38 117.58 1fag n GLN 310 Ca 0.03 -0.36 -0.38 0.00 -0.01 0.00 0.00 57.00 56.28 1fag n GLN 310 Cb 0.23 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 1fag n GLN 310 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1fag n LEU 311 N -0.90 8.52 -0.10 1.08 4.77 -0.77 -4.75 117.00 124.86 1fag n LEU 311 Ca 0.09 -4.27 -0.09 0.00 -0.03 0.00 0.00 56.01 51.71 1fag n LEU 311 Cb 0.35 -1.53 -0.07 0.00 -2.33 0.00 0.00 43.42 39.85 1fag n LEU 311 CO 0.30 1.98 0.50 0.07 -1.33 0.00 0.00 177.39 178.90 1fag h LYS 312 N 5.09 -0.25 -0.40 3.23 2.10 -1.84 -2.47 116.57 122.03 1fag h LYS 312 Ca 0.85 0.02 0.01 0.00 -2.00 0.00 0.00 60.65 59.53 1fag h LYS 312 Cb 0.27 0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.64 1fag h LYS 312 CO 1.77 -0.17 0.24 -0.92 -2.00 0.00 0.00 179.45 178.37 1fag h TYR 313 N -0.26 0.45 -0.08 0.07 3.20 -1.98 -2.24 116.97 116.13 1fag h TYR 313 Ca 0.05 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1fag h TYR 313 Cb 0.40 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1fag h TYR 313 CO -0.70 0.27 -0.02 -0.39 -1.64 0.00 0.00 178.16 175.68 1fag h VAL 314 N 0.49 1.07 -0.42 1.81 -1.51 -1.87 0.14 116.25 115.96 1fag h VAL 314 Ca 0.16 -0.27 -0.09 0.00 -1.23 0.00 0.00 66.70 65.27 1fag h VAL 314 Cb -0.01 1.03 -0.02 0.00 -2.13 0.00 0.00 31.29 30.16 1fag h VAL 314 CO -0.06 0.09 -0.10 1.23 -1.23 0.00 0.00 177.57 177.49 1fag h GLY 315 N 0.30 0.79 0.94 5.19 0.00 -0.94 -0.82 103.07 108.54 1fag h GLY 315 Ca 0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 1fag h GLY 315 CO 0.00 0.53 0.15 -0.33 0.00 0.00 0.00 176.54 176.90 1fag h MET 316 N 0.67 0.60 -0.34 4.80 2.07 -0.32 -1.57 114.93 120.83 1fag h MET 316 Ca 0.12 -0.11 0.08 0.00 -2.07 0.00 0.00 59.70 57.71 1fag h MET 316 Cb 0.56 -0.10 -0.08 0.00 -1.87 0.00 0.00 31.60 30.11 1fag h MET 316 CO 0.03 0.57 -0.21 0.28 1.07 0.00 0.00 176.91 178.65 1fag h VAL 317 N 0.50 0.42 -0.34 -2.22 2.07 -0.42 0.66 116.25 116.92 1fag h VAL 317 Ca 0.13 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.72 1fag h VAL 317 Cb 0.20 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 1fag h VAL 317 CO -0.01 0.00 -0.05 -0.07 0.02 0.00 0.00 177.57 177.46 1fag h LEU 318 N -0.16 -0.25 -1.28 2.57 4.07 -0.63 0.07 115.31 119.69 1fag h LEU 318 Ca 0.17 0.09 -0.06 0.00 0.08 0.00 0.00 57.88 58.16 1fag h LEU 318 Cb 0.43 0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 1fag h LEU 318 CO -0.44 -0.09 -0.31 0.78 -1.08 0.00 0.00 178.44 177.31 1fag h ASN 319 N 0.03 0.00 0.21 -0.43 2.35 -0.43 0.17 115.58 117.49 1fag h ASN 319 Ca 0.16 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1fag h ASN 319 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1fag h ASN 319 CO -0.32 0.31 -0.10 -0.08 -1.65 0.00 0.00 177.43 175.58 1fag h GLU 320 N 0.00 -0.27 -0.61 0.81 4.22 0.16 0.24 114.58 119.13 1fag h GLU 320 Ca -0.00 0.02 0.10 0.00 0.08 0.00 0.00 59.36 59.55 1fag h GLU 320 Cb 0.68 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.92 1fag h GLU 320 CO 0.04 0.12 0.21 0.00 -2.18 0.00 0.00 179.01 177.19 1fag h ALA 321 N -0.22 0.77 0.00 2.92 0.00 -0.87 0.75 119.26 122.61 1fag h ALA 321 Ca -0.03 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1fag h ALA 321 Cb 0.51 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1fag h ALA 321 CO 0.05 -0.22 -0.03 1.25 0.00 0.00 0.00 179.25 180.30 1fag h LEU 322 N 0.37 0.00 0.04 0.00 5.85 -0.53 0.46 115.31 121.50 1fag h LEU 322 Ca 0.31 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 1fag h LEU 322 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1fag h LEU 322 CO -0.33 0.03 -0.02 -0.09 -0.34 0.00 0.00 178.44 177.69 1fag h ARG 323 N 0.00 -0.05 -0.07 1.25 2.43 0.40 -3.17 114.38 115.17 1fag h ARG 323 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1fag h ARG 323 Cb 0.16 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1fag h ARG 323 CO 0.00 0.44 0.04 -0.07 -1.51 0.00 0.00 179.97 178.88 1fag h LEU 324 N -0.97 0.08 -6.85 3.80 -0.00 -0.90 -3.39 115.31 107.07 1fag h LEU 324 Ca -0.01 -0.06 -0.61 0.00 -0.00 0.00 0.00 57.88 57.20 1fag h LEU 324 Cb 0.51 -0.02 -0.40 0.00 -0.00 0.00 0.00 40.66 40.75 1fag h LEU 324 CO 0.01 0.12 -0.73 0.26 -0.00 0.00 0.00 178.44 178.10 1fag s TRP 325 N -5.94 2.48 -0.16 1.13 0.52 0.12 -4.84 118.94 112.26 1fag s TRP 325 Ca -0.13 -2.85 -0.29 0.00 0.02 0.00 0.00 56.10 52.85 1fag s TRP 325 Cb 0.06 -2.00 -0.04 0.00 -1.15 0.00 0.00 33.47 30.35 1fag s TRP 325 CO 0.67 -0.69 1.60 -1.25 0.02 0.00 0.00 176.95 177.31 1fag s PRO 326 N -0.60 3.96 0.52 4.98 0.04 -1.20 -4.55 135.00 138.16 1fag s PRO 326 Ca 0.26 1.85 0.27 0.00 0.04 0.00 0.00 61.00 63.42 1fag s PRO 326 Cb -0.07 -4.00 1.39 0.00 0.04 0.00 0.00 34.50 31.87 1fag s PRO 326 CO -0.14 -1.09 1.93 1.79 0.04 0.00 0.00 177.00 179.53 1fag h THR 327 N 5.89 0.65 -3.42 1.26 1.35 -1.87 -2.57 112.91 114.20 1fag h THR 327 Ca -0.35 -0.02 -0.70 0.00 -0.55 0.00 0.00 66.41 64.78 1fag h THR 327 Cb 1.16 0.58 -0.35 0.00 -1.73 0.00 0.00 68.15 67.81 1fag h THR 327 CO 0.98 0.01 -0.19 0.00 -0.25 0.00 0.00 175.52 176.07 1fag s ALA 328 N -5.06 3.99 -0.25 6.62 0.00 -1.26 -2.32 121.76 123.48 1fag s ALA 328 Ca -0.05 -3.61 0.08 0.00 0.00 0.00 0.00 51.96 48.37 1fag s ALA 328 Cb 0.21 -2.79 0.41 0.00 0.00 0.00 0.00 23.12 20.95 1fag s ALA 328 CO 0.76 -2.14 1.09 -0.35 0.00 0.00 0.00 175.76 175.12 1fag n PRO 329 N 2.81 0.05 -3.51 0.00 -0.04 -0.97 -4.81 135.00 128.53 1fag n PRO 329 Ca 0.16 0.46 -0.11 0.00 -0.04 0.00 0.00 63.50 63.97 1fag n PRO 329 Cb 0.38 -1.92 -0.03 0.00 -0.04 0.00 0.00 33.50 31.88 1fag n PRO 329 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fag s ALA 330 N -3.02 -1.81 0.02 0.55 0.00 -1.26 -2.22 121.76 114.02 1fag s ALA 330 Ca -0.01 1.12 -0.01 0.00 0.00 0.00 0.00 51.96 53.07 1fag s ALA 330 Cb 0.02 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1fag s ALA 330 CO 0.07 -0.57 -0.02 -0.59 0.00 0.00 0.00 175.76 174.66 1fag s PHE 331 N -2.47 0.28 0.12 0.00 -0.12 -1.23 -5.00 117.98 109.56 1fag s PHE 331 Ca 0.01 -0.58 0.09 0.00 -0.05 0.00 0.00 56.93 56.40 1fag s PHE 331 Cb -0.01 -0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.14 1fag s PHE 331 CO -0.05 -0.23 -0.19 0.45 -0.05 0.00 0.00 175.22 175.15 1fag s SER 332 N -1.68 3.81 0.42 1.98 0.15 -1.26 -1.15 113.70 115.97 1fag s SER 332 Ca -0.12 -0.58 0.03 0.00 0.70 0.00 0.00 55.95 55.98 1fag s SER 332 Cb -0.07 -0.50 -0.03 0.00 -1.71 0.00 0.00 66.02 63.71 1fag s SER 332 CO -0.02 0.18 0.09 -0.76 1.20 0.00 0.00 173.24 173.93 1fag s LEU 333 N -2.11 2.10 -0.10 3.45 2.01 -0.63 -0.33 118.68 123.07 1fag s LEU 333 Ca 0.17 -1.63 -0.15 0.00 0.01 0.00 0.00 54.13 52.54 1fag s LEU 333 Cb -0.10 -0.29 0.04 0.00 0.01 0.00 0.00 46.19 45.84 1fag s LEU 333 CO 0.09 -0.87 0.38 -0.72 1.01 0.00 0.00 176.35 176.25 1fag s TYR 334 N -3.14 -0.37 -0.29 0.29 1.13 -0.68 -1.74 117.35 112.55 1fag s TYR 334 Ca 0.22 0.82 -0.28 0.00 -1.41 0.00 0.00 57.07 56.42 1fag s TYR 334 Cb 0.03 0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 40.99 1fag s TYR 334 CO 0.12 -0.28 2.15 0.00 -2.51 0.00 0.00 175.55 175.03 1fag s ALA 335 N -0.31 2.59 0.52 9.51 0.00 0.67 -3.03 121.76 131.70 1fag s ALA 335 Ca -0.04 0.52 0.24 0.00 0.00 0.00 0.00 51.96 52.67 1fag s ALA 335 Cb -0.03 -4.11 1.51 0.00 0.00 0.00 0.00 23.12 20.49 1fag s ALA 335 CO 0.02 -3.03 2.16 -0.22 0.00 0.00 0.00 175.76 174.69 1fag h LYS 336 N 15.23 0.00 -2.94 0.00 3.64 -0.96 1.17 116.57 132.71 1fag h LYS 336 Ca -0.37 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.96 1fag h LYS 336 Cb 1.23 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.90 1fag h LYS 336 CO 1.01 0.05 0.06 -1.83 -2.27 0.00 0.00 179.45 176.47 1fag s GLU 337 N -4.65 1.10 0.29 1.90 1.03 -1.26 -4.70 118.70 112.41 1fag s GLU 337 Ca -0.04 -0.38 -0.28 0.00 0.03 0.00 0.00 54.97 54.29 1fag s GLU 337 Cb 0.15 0.50 -0.14 0.00 -0.80 0.00 0.00 34.13 33.84 1fag s GLU 337 CO 0.60 -0.43 1.07 -0.25 -1.33 0.00 0.00 175.26 174.93 1fag n ASP 338 N 0.09 1.56 -0.55 0.83 9.92 -1.26 -4.41 116.55 122.73 1fag n ASP 338 Ca -0.17 1.18 0.00 0.00 -0.53 0.00 0.00 54.79 55.26 1fag n ASP 338 Cb 0.62 -1.32 0.00 0.00 -0.64 0.00 0.00 41.12 39.78 1fag n ASP 338 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1fag n THR 339 N 0.39 0.00 -3.51 -3.53 5.66 0.51 -4.92 114.28 108.87 1fag n THR 339 Ca 0.09 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.90 1fag n THR 339 Cb 0.32 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.97 1fag n THR 339 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1fag s VAL 340 N -2.86 -0.30 0.10 1.08 1.01 -1.26 -0.21 120.40 117.96 1fag s VAL 340 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1fag s VAL 340 Cb 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 36.38 35.66 1fag s VAL 340 CO 0.00 -0.20 1.22 -0.22 0.00 0.00 0.00 175.10 175.90 1fag s LEU 341 N 2.31 4.39 0.00 3.92 2.96 0.44 -3.31 118.68 129.39 1fag s LEU 341 Ca 0.06 2.12 0.00 0.00 -0.22 0.00 0.00 54.13 56.09 1fag s LEU 341 Cb -0.16 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1fag s LEU 341 CO -0.12 -0.46 0.00 0.61 -1.32 0.00 0.00 176.35 175.07 1fag n GLY 342 N 2.95 0.00 2.35 7.98 0.00 -1.26 -0.28 105.19 116.92 1fag n GLY 342 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 1fag n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fag n GLY 343 N 0.42 1.00 0.00 -0.02 0.00 -1.21 -4.76 105.19 100.62 1fag n GLY 343 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1fag n GLY 343 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fag n GLU 344 N -2.33 0.44 -3.64 1.61 1.02 -0.61 -4.73 120.64 112.40 1fag n GLU 344 Ca -0.08 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.66 1fag n GLU 344 Cb 0.33 -0.64 -0.10 0.00 -0.02 0.00 0.00 31.44 31.01 1fag n GLU 344 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1fag s TYR 345 N -1.28 3.34 0.07 -0.32 2.02 0.61 -2.42 117.35 119.37 1fag s TYR 345 Ca 0.00 -1.56 -0.31 0.00 -0.37 0.00 0.00 57.07 54.83 1fag s TYR 345 Cb 0.00 -2.86 -0.06 0.00 -0.40 0.00 0.00 41.96 38.63 1fag s TYR 345 CO 0.00 -0.83 1.32 -2.14 -1.57 0.00 0.00 175.55 172.33 1fag s PRO 346 N 1.40 4.35 -0.09 -1.71 0.02 -1.26 0.17 135.00 137.88 1fag s PRO 346 Ca 0.03 1.94 0.04 0.00 0.02 0.00 0.00 61.00 63.03 1fag s PRO 346 Cb -0.22 -3.36 -0.00 0.00 0.02 0.00 0.00 34.50 30.93 1fag s PRO 346 CO 0.02 -0.41 -0.24 -0.51 -0.33 0.00 0.00 177.00 175.53 1fag s LEU 347 N 1.41 2.09 0.72 -5.54 1.43 0.70 -4.89 118.68 114.60 1fag s LEU 347 Ca 0.62 -0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 53.08 1fag s LEU 347 Cb -0.33 -1.40 0.05 0.00 0.03 0.00 0.00 46.19 44.54 1fag s LEU 347 CO 0.29 0.18 1.06 -1.61 0.23 0.00 0.00 176.35 176.49 1fag s GLU 348 N 0.23 2.37 0.48 1.70 2.02 -1.26 -0.37 118.70 123.87 1fag s GLU 348 Ca -0.16 0.02 -0.23 0.00 0.02 0.00 0.00 54.97 54.62 1fag s GLU 348 Cb -0.17 -2.10 -0.07 0.00 0.10 0.00 0.00 34.13 31.89 1fag s GLU 348 CO 0.08 -1.21 1.26 0.21 0.02 0.00 0.00 175.26 175.61 1fag s LYS 349 N -5.32 3.59 0.00 1.61 2.36 -1.26 -2.25 119.74 118.47 1fag s LYS 349 Ca 0.59 2.01 0.00 0.00 -2.55 0.00 0.00 55.97 56.02 1fag s LYS 349 Cb -0.11 -2.43 0.00 0.00 -1.05 0.00 0.00 37.83 34.24 1fag s LYS 349 CO 0.47 -0.75 0.00 0.41 1.55 0.00 0.00 175.35 177.03 1fag n GLY 350 N 0.59 0.74 3.69 5.54 0.00 0.40 -4.90 105.19 111.26 1fag n GLY 350 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1fag n GLY 350 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fag s ASP 351 N -2.58 6.90 0.17 1.61 1.11 -0.96 -4.56 116.67 118.37 1fag s ASP 351 Ca 0.00 2.07 -0.30 0.00 0.18 0.00 0.00 52.55 54.50 1fag s ASP 351 Cb 0.00 -2.56 -0.07 0.00 1.07 0.00 0.00 42.92 41.35 1fag s ASP 351 CO 0.00 -0.67 1.06 -1.61 1.18 0.00 0.00 175.17 175.14 1fag s GLU 352 N 2.13 4.63 0.06 8.23 2.02 -1.26 -0.24 118.70 134.26 1fag s GLU 352 Ca 0.62 1.65 0.06 0.00 0.02 0.00 0.00 54.97 57.32 1fag s GLU 352 Cb -0.31 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.60 1fag s GLU 352 CO 0.26 0.12 -0.16 -0.51 0.02 0.00 0.00 175.26 175.00 1fag s LEU 353 N -0.33 2.21 -0.07 1.80 1.02 -0.71 -2.72 118.68 119.88 1fag s LEU 353 Ca 0.48 -0.53 0.01 0.00 0.02 0.00 0.00 54.13 54.11 1fag s LEU 353 Cb -0.28 -0.67 0.02 0.00 0.02 0.00 0.00 46.19 45.28 1fag s LEU 353 CO 0.34 0.03 -0.08 -0.32 0.02 0.00 0.00 176.35 176.34 1fag s MET 354 N -1.38 1.31 -0.50 1.70 1.75 0.25 -1.60 119.30 120.82 1fag s MET 354 Ca 0.02 -0.25 -0.19 0.00 -1.25 0.00 0.00 55.69 54.03 1fag s MET 354 Cb -0.09 -1.24 0.06 0.00 2.84 0.00 0.00 34.83 36.41 1fag s MET 354 CO 0.02 -0.09 0.62 0.08 -0.65 0.00 0.00 175.02 175.00 1fag s VAL 355 N 1.05 4.88 -1.25 10.11 1.01 -0.30 -0.40 120.40 135.51 1fag s VAL 355 Ca -0.08 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 1fag s VAL 355 Cb -0.14 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 31.97 1fag s VAL 355 CO -0.01 -0.80 1.77 -0.76 0.00 0.00 0.00 175.10 175.31 1fag s LEU 356 N 2.60 3.63 0.20 3.92 1.43 -0.63 -3.53 118.68 126.30 1fag s LEU 356 Ca 0.15 -2.18 -0.23 0.00 -1.03 0.00 0.00 54.13 50.84 1fag s LEU 356 Cb -0.19 -2.58 0.11 0.00 0.03 0.00 0.00 46.19 43.56 1fag s LEU 356 CO 0.12 -1.66 1.56 0.40 0.23 0.00 0.00 176.35 177.00 1fag h ILE 357 N 5.81 0.04 -0.07 -0.59 2.04 -1.74 0.86 117.51 123.86 1fag h ILE 357 Ca 0.38 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.26 1fag h ILE 357 Cb 0.90 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1fag h ILE 357 CO 1.40 0.00 0.16 1.55 0.00 0.00 0.00 178.15 181.26 1fag h PRO 358 N -0.07 0.00 0.24 2.37 0.13 -1.87 -0.49 132.00 132.30 1fag h PRO 358 Ca 0.25 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 65.04 1fag h PRO 358 Cb 0.55 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.71 1fag h PRO 358 CO -0.88 0.00 -1.58 1.96 -0.23 0.00 0.00 178.00 177.28 1fag h GLN 359 N 0.00 0.50 -0.43 0.86 1.08 -1.16 -3.22 115.11 112.74 1fag h GLN 359 Ca 0.03 -0.85 0.06 0.00 -1.45 0.00 0.00 58.65 56.43 1fag h GLN 359 Cb 0.36 0.32 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 1fag h GLN 359 CO -0.00 1.41 0.29 1.25 -0.95 0.00 0.00 178.83 180.83 1fag h LEU 360 N 0.14 0.31 -0.25 1.46 5.85 -0.71 0.92 115.31 123.03 1fag h LEU 360 Ca -0.29 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1fag h LEU 360 Cb 2.15 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 43.12 1fag h LEU 360 CO 0.25 0.21 0.00 1.41 -0.34 0.00 0.00 178.44 179.96 1fag n HIS 361 N -4.48 0.03 0.01 1.25 8.25 -0.76 -2.95 115.22 116.58 1fag n HIS 361 Ca 0.05 -0.02 0.02 0.00 -0.26 0.00 0.00 57.72 57.52 1fag n HIS 361 Cb 0.24 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.40 1fag n HIS 361 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1fag n ARG 362 N -0.59 1.86 -1.93 -0.41 1.74 0.30 -4.83 116.66 112.79 1fag n ARG 362 Ca 0.17 -1.42 -0.40 0.00 -0.77 0.00 0.00 57.85 55.44 1fag n ARG 362 Cb 0.14 -1.11 -0.03 0.00 -1.02 0.00 0.00 32.46 30.45 1fag n ARG 362 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1fag s ASP 363 N -0.80 5.35 0.50 0.55 2.15 -1.10 -4.84 116.67 118.48 1fag s ASP 363 Ca 0.08 0.83 0.18 0.00 0.43 0.00 0.00 52.55 54.07 1fag s ASP 363 Cb 0.05 -2.52 1.24 0.00 -0.30 0.00 0.00 42.92 41.38 1fag s ASP 363 CO 0.06 -2.23 2.07 0.11 -0.17 0.00 0.00 175.17 175.02 1fag h LYS 364 N 15.02 0.11 0.00 4.34 1.57 -1.93 -0.66 116.57 135.03 1fag h LYS 364 Ca -0.29 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1fag h LYS 364 Cb 1.18 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1fag h LYS 364 CO 1.14 0.07 0.00 0.25 -0.57 0.00 0.00 179.45 180.34 1fag n THR 365 N -4.47 1.21 -0.02 -0.16 -2.24 -1.26 0.79 114.28 108.12 1fag n THR 365 Ca 0.03 0.30 -0.04 0.00 -2.27 0.00 0.00 64.05 62.08 1fag n THR 365 Cb 0.29 -1.15 -0.02 0.00 -2.10 0.00 0.00 70.33 67.35 1fag n THR 365 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1fag n ILE 366 N -1.44 0.24 0.47 2.28 2.08 -0.61 -4.82 119.36 117.56 1fag n ILE 366 Ca 0.03 -0.08 0.11 0.00 0.56 0.00 0.00 62.75 63.37 1fag n ILE 366 Cb 0.10 -1.06 -0.06 0.00 -0.75 0.00 0.00 39.64 37.86 1fag n ILE 366 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 1fag n TRP 367 N -2.89 0.18 0.00 1.39 7.02 -0.35 -4.97 117.44 117.82 1fag n TRP 367 Ca -0.08 0.05 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 1fag n TRP 367 Cb 0.57 -0.40 0.00 0.00 -2.42 0.00 0.00 31.31 29.07 1fag n TRP 367 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1fag n GLY 368 N 1.35 1.16 1.23 6.99 0.00 0.24 -4.65 105.19 111.52 1fag n GLY 368 Ca 0.01 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1fag n GLY 368 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fag n ASP 369 N 0.00 3.51 -0.40 1.61 8.00 -1.26 -3.07 116.55 124.94 1fag n ASP 369 Ca 0.00 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.53 1fag n ASP 369 Cb 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 1fag n ASP 369 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1fag n ASP 370 N 0.97 0.00 -0.46 -2.24 5.75 -1.26 -4.95 116.55 114.36 1fag n ASP 370 Ca 0.00 -1.52 0.37 0.00 -0.01 0.00 0.00 54.79 53.63 1fag n ASP 370 Cb 0.44 -0.10 0.61 0.00 -1.03 0.00 0.00 41.12 41.04 1fag n ASP 370 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1fag n VAL 371 N 0.00 -0.16 1.63 2.12 0.24 -1.17 -0.78 118.33 120.21 1fag n VAL 371 Ca 0.00 1.46 0.14 0.00 -2.04 0.00 0.00 64.34 63.90 1fag n VAL 371 Cb 0.60 -2.40 0.79 0.00 -1.47 0.00 0.00 33.84 31.36 1fag n VAL 371 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1fag n GLU 372 N -4.19 0.77 -3.95 7.34 4.07 -1.26 -4.85 120.64 118.58 1fag n GLU 372 Ca 0.35 0.01 -0.26 0.00 -0.06 0.00 0.00 57.16 57.20 1fag n GLU 372 Cb 1.44 -1.50 -0.03 0.00 -0.06 0.00 0.00 31.44 31.29 1fag n GLU 372 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1fag s GLU 373 N -2.10 3.43 -0.81 5.31 -1.05 0.04 -5.04 118.70 118.48 1fag s GLU 373 Ca 0.38 -0.59 -0.22 0.00 -0.15 0.00 0.00 54.97 54.39 1fag s GLU 373 Cb 0.19 -2.96 0.08 0.00 -0.44 0.00 0.00 34.13 31.00 1fag s GLU 373 CO 0.33 0.53 1.11 0.12 0.95 0.00 0.00 175.26 178.30 1fag s PHE 374 N -1.72 2.77 -0.45 4.83 5.36 -1.26 -4.95 117.98 122.56 1fag s PHE 374 Ca 0.34 -0.83 0.03 0.00 -0.96 0.00 0.00 56.93 55.51 1fag s PHE 374 Cb -0.11 -4.37 0.13 0.00 -0.34 0.00 0.00 43.02 38.32 1fag s PHE 374 CO 0.28 -1.67 0.22 0.50 -1.46 0.00 0.00 175.22 173.09 1fag s ARG 375 N 3.86 1.52 0.27 10.12 3.52 -1.26 -4.97 118.95 132.00 1fag s ARG 375 Ca 0.30 -2.15 -0.00 0.00 -0.13 0.00 0.00 55.73 53.75 1fag s ARG 375 Cb -0.10 -2.77 0.62 0.00 -1.56 0.00 0.00 34.95 31.15 1fag s ARG 375 CO 0.01 -1.10 1.67 -1.35 -0.81 0.00 0.00 175.30 173.72 1fag h PRO 376 N 6.84 0.28 -0.29 5.12 0.11 -1.92 -1.57 132.00 140.56 1fag h PRO 376 Ca -0.05 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.13 1fag h PRO 376 Cb 0.93 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 1fag h PRO 376 CO 0.56 0.18 0.72 0.93 -0.21 0.00 0.00 178.00 180.19 1fag h GLU 377 N 0.29 0.00 -0.17 1.05 3.07 -1.93 0.74 114.58 117.62 1fag h GLU 377 Ca 0.50 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.41 1fag h GLU 377 Cb 0.94 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 1fag h GLU 377 CO -0.57 0.00 0.19 0.00 -1.40 0.00 0.00 179.01 177.23 1fag h ARG 378 N 0.00 0.00 -0.69 2.33 3.08 -1.70 0.24 114.38 117.64 1fag h ARG 378 Ca 0.14 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.98 1fag h ARG 378 Cb 1.59 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.51 1fag h ARG 378 CO -0.00 0.00 0.24 1.19 -1.07 0.00 0.00 179.97 180.33 1fag n PHE 379 N -3.81 2.29 -0.01 3.04 3.72 0.25 -4.37 117.46 118.58 1fag n PHE 379 Ca 0.01 -1.24 -0.17 0.00 -0.05 0.00 0.00 57.45 56.01 1fag n PHE 379 Cb 0.31 -0.66 -0.10 0.00 -0.94 0.00 0.00 39.48 38.09 1fag n PHE 379 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1fag h GLU 380 N 2.43 0.45 -3.36 -1.08 4.57 -0.69 -3.37 114.58 113.54 1fag h GLU 380 Ca 0.26 -0.43 -0.78 0.00 -1.18 0.00 0.00 59.36 57.22 1fag h GLU 380 Cb 2.25 0.11 -0.29 0.00 -0.16 0.00 0.00 28.75 30.66 1fag h GLU 380 CO 0.70 1.08 0.42 0.09 -1.18 0.00 0.00 179.01 180.12 1fag n ASN 381 N -4.23 5.48 -0.33 1.04 4.13 -1.26 -4.96 115.26 115.12 1fag n ASN 381 Ca -0.09 -3.14 -0.08 0.00 1.68 0.00 0.00 54.58 52.95 1fag n ASN 381 Cb 0.64 -1.29 -0.07 0.00 -1.54 0.00 0.00 39.78 37.52 1fag n ASN 381 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1fag n PRO 382 N 2.29 -0.33 -0.99 3.52 -0.02 -1.26 -0.53 135.00 137.68 1fag n PRO 382 Ca 0.24 1.20 -0.21 0.00 -2.02 0.00 0.00 63.50 62.71 1fag n PRO 382 Cb 0.38 -1.77 0.06 0.00 -0.02 0.00 0.00 33.50 32.15 1fag n PRO 382 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1fag n SER 383 N -5.01 6.29 -0.06 2.55 7.64 -1.26 -3.72 113.62 120.04 1fag n SER 383 Ca 0.02 -3.25 0.08 0.00 1.01 0.00 0.00 58.87 56.73 1fag n SER 383 Cb 0.22 -0.98 -0.08 0.00 -1.01 0.00 0.00 64.21 62.36 1fag n SER 383 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fag n ALA 384 N -0.14 3.93 -2.53 -0.43 0.00 0.31 -4.94 120.51 116.70 1fag n ALA 384 Ca 0.40 -0.46 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 1fag n ALA 384 Cb 0.72 -0.57 -0.12 0.00 0.00 0.00 0.00 19.45 19.48 1fag n ALA 384 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1fag s ILE 385 N -2.40 3.29 0.85 0.00 -4.36 -1.24 -5.12 121.20 112.21 1fag s ILE 385 Ca 0.07 -0.85 -0.12 0.00 -0.26 0.00 0.00 60.65 59.49 1fag s ILE 385 Cb 0.12 -2.38 0.09 0.00 1.25 0.00 0.00 42.46 41.55 1fag s ILE 385 CO 0.61 0.44 1.10 -2.65 0.24 0.00 0.00 174.94 174.68 1fag n PRO 386 N 1.78 -0.05 -2.95 0.37 -0.02 -1.26 -5.00 135.00 127.88 1fag n PRO 386 Ca -0.16 0.06 -0.33 0.00 -2.02 0.00 0.00 63.50 61.05 1fag n PRO 386 Cb 0.52 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 1fag n PRO 386 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1fag s GLN 387 N -4.18 4.12 0.00 -0.52 -0.21 -1.26 -3.10 119.66 114.50 1fag s GLN 387 Ca 0.70 0.91 0.00 0.00 0.02 0.00 0.00 55.36 56.99 1fag s GLN 387 Cb -0.27 -2.29 0.00 0.00 1.00 0.00 0.00 33.01 31.45 1fag s GLN 387 CO 0.54 0.04 0.00 0.72 -2.12 0.00 0.00 175.29 174.48 1fag n HIS 388 N -0.55 0.00 0.15 0.91 8.25 -1.26 -4.80 115.22 117.91 1fag n HIS 388 Ca 0.05 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.62 1fag n HIS 388 Cb 0.54 -0.73 -0.13 0.00 1.12 0.00 0.00 29.99 30.80 1fag n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fag n ALA 389 N 1.00 3.00 -3.47 -1.41 0.00 -1.18 -4.61 120.51 113.83 1fag n ALA 389 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.68 1fag n ALA 389 Cb 0.14 -0.82 -0.12 0.00 0.00 0.00 0.00 19.45 18.66 1fag n ALA 389 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1fag s PHE 390 N -3.42 0.96 -0.74 0.00 5.36 -1.26 -4.52 117.98 114.36 1fag s PHE 390 Ca -0.05 -1.90 0.03 0.00 -0.96 0.00 0.00 56.93 54.06 1fag s PHE 390 Cb 0.14 -1.02 0.31 0.00 -0.34 0.00 0.00 43.02 42.11 1fag s PHE 390 CO 0.88 -0.82 1.13 1.63 -1.46 0.00 0.00 175.22 176.58 1fag n LYS 391 N 3.66 3.65 0.20 10.12 5.02 -1.26 -4.85 118.16 134.70 1fag n LYS 391 Ca 0.16 -4.75 0.07 0.00 -2.02 0.00 0.00 58.31 51.78 1fag n LYS 391 Cb 0.40 -2.32 0.34 0.00 -0.02 0.00 0.00 35.03 33.43 1fag n LYS 391 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1fag h PRO 392 N 3.77 0.00 -1.30 1.97 0.13 -1.96 -3.28 132.00 131.33 1fag h PRO 392 Ca 0.24 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.70 1fag h PRO 392 Cb 0.51 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.31 1fag h PRO 392 CO 0.95 0.31 0.32 1.19 -0.23 0.00 0.00 178.00 180.55 1fag n PHE 393 N -3.40 3.10 -4.35 1.56 3.72 -1.26 -4.76 117.46 112.06 1fag n PHE 393 Ca 0.00 -2.68 0.00 0.00 -0.05 0.00 0.00 57.45 54.72 1fag n PHE 393 Cb 0.51 -0.93 0.00 0.00 -0.94 0.00 0.00 39.48 38.12 1fag n PHE 393 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fag n GLY 394 N -0.70 -0.80 2.85 1.37 0.00 -1.24 -1.63 105.19 105.04 1fag n GLY 394 Ca 0.53 -1.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 1fag n GLY 394 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fag s ASN 395 N -4.00 0.13 0.87 1.61 2.47 -1.19 -4.88 114.94 109.94 1fag s ASN 395 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 52.86 53.28 1fag s ASN 395 Cb 0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 41.25 39.75 1fag s ASN 395 CO 0.00 -0.03 0.00 0.61 -3.72 0.00 0.00 177.10 173.96 1fag n GLY 396 N 3.44 2.78 0.32 1.21 0.00 -1.26 -2.31 105.19 109.36 1fag n GLY 396 Ca -0.17 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 45.84 1fag n GLY 396 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1fag h GLN 397 N 0.00 0.00 -2.07 1.61 3.07 -2.01 -2.09 115.11 113.62 1fag h GLN 397 Ca 0.00 0.00 -0.77 0.00 0.09 0.00 0.00 58.65 57.97 1fag h GLN 397 Cb 0.00 0.00 -0.28 0.00 0.08 0.00 0.00 27.48 27.28 1fag h GLN 397 CO 0.00 0.00 0.94 0.54 0.09 0.00 0.00 178.83 180.40 1fag n ARG 398 N -4.44 3.72 -3.59 0.06 5.12 -0.98 -4.98 116.66 111.58 1fag n ARG 398 Ca 0.03 -3.99 -0.20 0.00 -1.93 0.00 0.00 57.85 51.76 1fag n ARG 398 Cb 0.32 -2.34 -0.02 0.00 -1.16 0.00 0.00 32.46 29.27 1fag n ARG 398 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1fag s ALA 399 N -4.13 4.08 -0.07 7.54 0.00 -0.79 -3.20 121.76 125.20 1fag s ALA 399 Ca 0.47 -1.58 -0.32 0.00 0.00 0.00 0.00 51.96 50.53 1fag s ALA 399 Cb 0.35 -1.43 -0.10 0.00 0.00 0.00 0.00 23.12 21.94 1fag s ALA 399 CO -0.30 -0.04 1.96 0.00 0.00 0.00 0.00 175.76 177.37 1fag h ILE 401 N 5.74 1.32 -0.58 0.00 1.08 -1.96 -3.18 117.51 119.94 1fag h ILE 401 Ca -0.47 -1.64 0.00 0.00 -0.39 0.00 0.00 64.86 62.35 1fag h ILE 401 Cb 1.26 1.70 0.00 0.00 -3.07 0.00 0.00 36.82 36.71 1fag h ILE 401 CO 0.95 0.50 0.00 0.61 -0.69 0.00 0.00 178.15 179.52 1fag n GLY 402 N -0.01 2.91 0.31 5.37 0.00 -1.26 -4.72 105.19 107.79 1fag n GLY 402 Ca -0.02 -0.84 -0.05 0.00 0.00 0.00 0.00 46.02 45.12 1fag n GLY 402 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1fag n GLN 403 N 0.87 -0.26 0.18 1.61 7.27 -1.20 0.07 117.38 125.92 1fag n GLN 403 Ca 0.24 1.17 0.05 0.00 0.07 0.00 0.00 57.00 58.54 1fag n GLN 403 Cb 0.88 -1.74 0.33 0.00 2.41 0.00 0.00 30.24 32.12 1fag n GLN 403 CO 0.00 0.00 0.00 -0.56 0.07 0.00 0.00 177.06 176.57 1fag h GLN 404 N 0.00 0.00 -0.18 3.69 -0.00 -1.88 -2.13 115.11 114.61 1fag h GLN 404 Ca 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.84 1fag h GLN 404 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.86 1fag h GLN 404 CO -0.74 0.39 0.09 0.35 -0.00 0.00 0.00 178.83 178.92 1fag h PHE 405 N 0.00 0.26 0.56 0.06 3.04 -0.71 0.21 116.94 120.37 1fag h PHE 405 Ca -0.00 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 1fag h PHE 405 Cb 0.89 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.30 1fag h PHE 405 CO 0.00 0.29 -0.51 0.00 -2.02 0.00 0.00 178.31 176.07 1fag h ALA 406 N 0.95 -1.17 -0.69 2.41 0.00 -1.02 -0.08 119.26 119.66 1fag h ALA 406 Ca 0.06 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1fag h ALA 406 Cb 0.12 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1fag h ALA 406 CO -0.01 -1.19 0.39 -0.07 0.00 0.00 0.00 179.25 178.37 1fag h LEU 407 N -1.05 0.60 -0.81 0.00 -0.00 -1.30 0.30 115.31 113.05 1fag h LEU 407 Ca -0.07 0.02 -0.07 0.00 -0.00 0.00 0.00 57.88 57.77 1fag h LEU 407 Cb 0.90 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 41.43 1fag h LEU 407 CO -0.03 0.39 0.13 -0.74 -0.00 0.00 0.00 178.44 178.19 1fag h HIS 408 N 0.73 1.08 0.11 1.13 2.76 -0.33 0.20 115.15 120.83 1fag h HIS 408 Ca 0.30 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 1fag h HIS 408 Cb 0.16 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.82 1fag h HIS 408 CO -0.07 0.90 -0.05 1.49 -1.30 0.00 0.00 177.93 178.90 1fag h GLU 409 N 0.97 -0.15 -0.30 5.26 4.81 -0.31 -2.22 114.58 122.65 1fag h GLU 409 Ca 0.20 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1fag h GLU 409 Cb 0.38 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1fag h GLU 409 CO 0.01 0.24 0.11 0.00 -0.73 0.00 0.00 179.01 178.63 1fag h ALA 410 N 0.26 0.34 -0.03 2.92 0.00 -0.29 -1.72 119.26 120.74 1fag h ALA 410 Ca -0.02 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1fag h ALA 410 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1fag h ALA 410 CO 0.03 -0.29 -0.03 1.15 0.00 0.00 0.00 179.25 180.11 1fag h THR 411 N 0.25 0.92 0.02 0.00 2.02 -0.99 0.41 112.91 115.54 1fag h THR 411 Ca 0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.33 1fag h THR 411 Cb 0.09 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1fag h THR 411 CO -0.13 0.00 -0.14 0.25 0.37 0.00 0.00 175.52 175.87 1fag h LEU 412 N -0.03 -0.41 0.10 2.58 5.85 -1.24 0.17 115.31 122.32 1fag h LEU 412 Ca 0.02 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1fag h LEU 412 Cb 0.06 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1fag h LEU 412 CO -0.05 -0.20 -0.05 1.62 -0.34 0.00 0.00 178.44 179.42 1fag h VAL 413 N -0.25 1.05 -0.99 1.05 3.04 -1.15 0.03 116.25 119.03 1fag h VAL 413 Ca 0.04 -0.59 0.15 0.00 -1.01 0.00 0.00 66.70 65.29 1fag h VAL 413 Cb 0.30 1.43 -0.09 0.00 -2.01 0.00 0.00 31.29 30.92 1fag h VAL 413 CO -0.13 0.14 0.62 0.25 -1.01 0.00 0.00 177.57 177.44 1fag h LEU 414 N -0.41 0.83 0.65 3.16 6.46 -0.10 0.14 115.31 126.03 1fag h LEU 414 Ca -0.01 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1fag h LEU 414 Cb 0.34 -0.10 0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1fag h LEU 414 CO 0.02 0.39 -0.31 1.23 -0.62 0.00 0.00 178.44 179.15 1fag h GLY 415 N 0.86 -0.91 0.76 3.75 0.00 -0.29 -1.50 103.07 105.74 1fag h GLY 415 Ca 0.52 0.34 0.09 0.00 0.00 0.00 0.00 47.33 48.27 1fag h GLY 415 CO -0.29 -0.33 0.58 -0.33 0.00 0.00 0.00 176.54 176.16 1fag h MET 416 N -0.94 0.90 0.65 4.80 2.86 0.43 -0.75 114.93 122.88 1fag h MET 416 Ca -0.09 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1fag h MET 416 Cb 0.69 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1fag h MET 416 CO 0.15 0.59 -0.39 0.52 1.06 0.00 0.00 176.91 178.84 1fag h MET 417 N 0.92 -0.95 -0.78 1.72 2.07 -0.57 -1.30 114.93 116.05 1fag h MET 417 Ca 0.41 0.06 0.09 0.00 -2.07 0.00 0.00 59.70 58.19 1fag h MET 417 Cb 0.35 0.22 -0.05 0.00 -1.87 0.00 0.00 31.60 30.24 1fag h MET 417 CO -0.17 -0.63 0.51 -0.07 1.07 0.00 0.00 176.91 177.62 1fag h LEU 418 N -0.98 0.65 -0.54 1.22 3.38 -0.84 -0.76 115.31 117.43 1fag h LEU 418 Ca -0.08 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1fag h LEU 418 Cb 0.79 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1fag h LEU 418 CO 0.09 0.40 0.08 0.50 0.09 0.00 0.00 178.44 179.59 1fag h LYS 419 N 0.73 0.90 0.00 1.13 3.64 -0.76 -3.34 116.57 118.87 1fag h LYS 419 Ca 0.35 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1fag h LYS 419 Cb 0.41 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1fag h LYS 419 CO -0.13 0.88 -1.10 0.72 -2.27 0.00 0.00 179.45 177.55 1fag n HIS 420 N -4.35 0.00 -4.31 1.91 8.25 -0.53 -4.90 115.22 111.29 1fag n HIS 420 Ca 0.02 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.32 1fag n HIS 420 Cb 0.27 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.20 1fag n HIS 420 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1fag s PHE 421 N -2.95 1.48 -0.38 4.41 0.08 -0.35 -1.10 117.98 119.16 1fag s PHE 421 Ca 0.05 -0.83 -0.00 0.00 0.12 0.00 0.00 56.93 56.26 1fag s PHE 421 Cb 0.15 -0.81 0.11 0.00 -0.57 0.00 0.00 43.02 41.89 1fag s PHE 421 CO 0.81 0.04 0.15 -0.51 -0.10 0.00 0.00 175.22 175.62 1fag s ASP 422 N -3.26 5.08 -0.27 1.36 1.01 0.14 -4.76 116.67 115.97 1fag s ASP 422 Ca 0.24 -2.09 -0.25 0.00 0.71 0.00 0.00 52.55 51.16 1fag s ASP 422 Cb 0.04 -1.76 0.00 0.00 1.01 0.00 0.00 42.92 42.22 1fag s ASP 422 CO 0.06 -0.48 0.86 -0.36 0.21 0.00 0.00 175.17 175.45 1fag s PHE 423 N 1.04 3.25 -0.15 4.23 0.08 -1.26 0.64 117.98 125.81 1fag s PHE 423 Ca 0.09 1.05 -0.02 0.00 0.12 0.00 0.00 56.93 58.17 1fag s PHE 423 Cb -0.21 -3.20 -0.02 0.00 -0.57 0.00 0.00 43.02 39.02 1fag s PHE 423 CO -0.06 -0.51 -0.09 -2.00 -0.10 0.00 0.00 175.22 172.47 1fag s GLU 424 N 3.00 3.48 -1.55 0.44 2.12 0.16 -4.96 118.70 121.39 1fag s GLU 424 Ca 0.36 -0.62 -0.10 0.00 0.36 0.00 0.00 54.97 54.96 1fag s GLU 424 Cb -0.14 -2.78 -0.03 0.00 0.26 0.00 0.00 34.13 31.43 1fag s GLU 424 CO 0.10 0.16 2.72 -3.47 -0.54 0.00 0.00 175.26 174.23 1fag n ASP 425 N 3.72 7.54 0.00 -1.70 -0.08 -1.26 -1.57 116.55 123.20 1fag n ASP 425 Ca -0.18 -2.70 0.00 0.00 -1.51 0.00 0.00 54.79 50.40 1fag n ASP 425 Cb 0.52 -1.56 0.00 0.00 2.34 0.00 0.00 41.12 42.42 1fag n ASP 425 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fag n HIS 426 N 3.97 0.00 -0.10 -0.67 1.44 -1.26 -1.10 115.22 117.49 1fag n HIS 426 Ca 0.70 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.41 1fag n HIS 426 Cb 0.27 -0.19 0.00 0.00 0.12 0.00 0.00 29.99 30.19 1fag n HIS 426 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1fag n THR 427 N -1.12 0.00 -3.75 0.61 -2.24 -1.26 -4.99 114.28 101.53 1fag n THR 427 Ca 0.00 -0.41 -0.27 0.00 -2.27 0.00 0.00 64.05 61.10 1fag n THR 427 Cb 0.12 1.10 0.05 0.00 -2.10 0.00 0.00 70.33 69.51 1fag n THR 427 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1fag n ASN 428 N -0.35 -5.32 -4.72 3.42 5.15 -0.26 -4.76 115.26 108.42 1fag n ASN 428 Ca 0.00 -0.67 -0.65 0.00 -0.60 0.00 0.00 54.58 52.66 1fag n ASN 428 Cb 0.03 -4.45 -0.09 0.00 -0.53 0.00 0.00 39.78 34.73 1fag n ASN 428 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1fag n TYR 429 N -4.81 1.80 -3.12 1.20 9.36 -1.26 -4.92 117.16 115.41 1fag n TYR 429 Ca 0.01 0.99 -0.40 0.00 3.32 0.00 0.00 57.90 61.81 1fag n TYR 429 Cb 0.55 -2.29 -0.06 0.00 -0.63 0.00 0.00 39.34 36.91 1fag n TYR 429 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1fag s GLU 430 N 3.30 4.14 0.19 2.98 -6.30 -1.26 -4.99 118.70 116.76 1fag s GLU 430 Ca 1.04 0.55 -0.32 0.00 -2.50 0.00 0.00 54.97 53.74 1fag s GLU 430 Cb -1.40 -3.63 -0.15 0.00 0.00 0.00 0.00 34.13 28.95 1fag s GLU 430 CO 0.77 -0.36 1.22 -0.11 0.02 0.00 0.00 175.26 176.81 1fag n LEU 431 N 5.50 1.93 -3.67 2.70 7.94 -1.26 -4.98 117.00 125.16 1fag n LEU 431 Ca -0.01 1.14 -0.22 0.00 -1.11 0.00 0.00 56.01 55.81 1fag n LEU 431 Cb 0.49 -1.27 -0.18 0.00 0.53 0.00 0.00 43.42 42.99 1fag n LEU 431 CO 0.43 -1.10 -0.34 -0.62 -1.11 0.00 0.00 177.39 174.65 1fag s ASP 432 N 0.06 1.49 -0.40 1.96 -1.08 -1.26 -5.05 116.67 112.39 1fag s ASP 432 Ca 0.72 -0.11 -0.12 0.00 -0.52 0.00 0.00 52.55 52.51 1fag s ASP 432 Cb -0.80 -0.20 0.04 0.00 -1.46 0.00 0.00 42.92 40.50 1fag s ASP 432 CO 0.52 -0.27 0.26 -0.63 0.52 0.00 0.00 175.17 175.56 1fag s ILE 433 N 2.14 4.77 0.12 4.11 1.01 -1.26 0.95 121.20 133.04 1fag s ILE 433 Ca 0.04 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.48 1fag s ILE 433 Cb -0.13 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.56 1fag s ILE 433 CO -0.05 -0.33 0.98 -0.75 0.00 0.00 0.00 174.94 174.79 1fag s LYS 434 N 1.58 4.69 -0.17 2.79 2.20 0.93 -4.85 119.74 126.91 1fag s LYS 434 Ca 0.03 1.48 -0.03 0.00 -0.36 0.00 0.00 55.97 57.09 1fag s LYS 434 Cb -0.20 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1fag s LYS 434 CO 0.07 0.20 -0.06 -1.21 -0.36 0.00 0.00 175.35 173.99 1fag s GLU 435 N -0.05 3.52 -0.36 4.03 2.02 -1.26 -2.29 118.70 124.32 1fag s GLU 435 Ca 0.47 -0.59 0.14 0.00 0.02 0.00 0.00 54.97 55.01 1fag s GLU 435 Cb -0.24 -2.88 0.39 0.00 0.10 0.00 0.00 34.13 31.50 1fag s GLU 435 CO 0.30 0.10 0.84 0.25 0.02 0.00 0.00 175.26 176.77 1fag n THR 436 N 3.92 0.25 0.00 3.63 -2.24 -1.26 -4.91 114.28 113.67 1fag n THR 436 Ca -0.18 -3.87 0.00 0.00 -2.27 0.00 0.00 64.05 57.73 1fag n THR 436 Cb 0.52 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1fag n THR 436 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1fag n LEU 437 N 0.14 0.00 -4.86 3.22 4.77 -1.26 -4.71 117.00 114.30 1fag n LEU 437 Ca 0.18 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.85 1fag n LEU 437 Cb 0.72 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1fag n LEU 437 CO 0.22 0.00 0.71 0.42 -1.33 0.00 0.00 177.39 177.40 1fag s THR 438 N 0.00 4.66 0.12 -5.08 -4.23 -1.26 -4.64 115.64 105.21 1fag s THR 438 Ca 0.00 0.96 0.04 0.00 -1.18 0.00 0.00 61.69 61.52 1fag s THR 438 Cb 0.00 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1fag s THR 438 CO 0.00 -1.02 0.10 -0.76 -0.54 0.00 0.00 174.62 172.40 1fag s LEU 439 N -4.87 3.76 -0.29 4.79 1.43 -0.98 -4.39 118.68 118.14 1fag s LEU 439 Ca 0.56 -0.08 -0.22 0.00 -1.03 0.00 0.00 54.13 53.36 1fag s LEU 439 Cb -0.11 -2.42 0.14 0.00 0.03 0.00 0.00 46.19 43.83 1fag s LEU 439 CO 0.48 0.13 1.04 -1.59 0.23 0.00 0.00 176.35 176.63 1fag s LYS 440 N -2.70 0.42 -0.07 1.70 -2.85 -0.97 -4.70 119.74 110.57 1fag s LYS 440 Ca 0.30 0.58 -0.30 0.00 -1.00 0.00 0.00 55.97 55.55 1fag s LYS 440 Cb -0.11 0.16 -0.06 0.00 -2.06 0.00 0.00 37.83 35.77 1fag s LYS 440 CO 0.22 -0.06 1.70 -2.14 0.10 0.00 0.00 175.35 175.17 1fag s PRO 441 N 0.63 4.11 0.05 1.78 0.02 -1.26 -0.05 135.00 140.29 1fag s PRO 441 Ca -0.01 2.18 -0.19 0.00 0.02 0.00 0.00 61.00 63.00 1fag s PRO 441 Cb -0.04 -4.02 -0.06 0.00 0.02 0.00 0.00 34.50 30.39 1fag s PRO 441 CO -0.10 -0.94 0.55 -2.00 -0.33 0.00 0.00 177.00 174.18 1fag s GLU 442 N 4.21 4.19 -0.81 5.54 2.12 0.27 -4.13 118.70 130.08 1fag s GLU 442 Ca 0.75 0.70 0.00 0.00 0.36 0.00 0.00 54.97 56.78 1fag s GLU 442 Cb -0.33 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 30.80 1fag s GLU 442 CO 0.31 0.61 0.00 0.41 -0.54 0.00 0.00 175.26 176.05 1fag n GLY 443 N 1.83 0.91 3.65 -1.50 0.00 -1.26 -4.50 105.19 104.33 1fag n GLY 443 Ca -0.10 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 1fag n GLY 443 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fag s PHE 444 N -2.08 2.43 0.02 1.61 5.36 -1.26 -5.00 117.98 119.07 1fag s PHE 444 Ca 0.00 0.67 0.01 0.00 -0.96 0.00 0.00 56.93 56.65 1fag s PHE 444 Cb 0.00 -3.77 -0.02 0.00 -0.34 0.00 0.00 43.02 38.89 1fag s PHE 444 CO 0.00 -2.56 -0.05 0.14 -1.46 0.00 0.00 175.22 171.29 1fag s VAL 445 N 4.12 0.33 0.27 3.12 -7.23 -1.26 -1.38 120.40 118.38 1fag s VAL 445 Ca 0.64 -0.81 0.02 0.00 -1.81 0.00 0.00 61.98 60.02 1fag s VAL 445 Cb -0.25 -0.40 -0.01 0.00 0.56 0.00 0.00 36.38 36.28 1fag s VAL 445 CO 0.23 -0.32 0.32 1.33 -0.31 0.00 0.00 175.10 176.35 1fag n VAL 446 N 1.86 0.00 -3.94 1.32 0.24 -0.97 -4.67 118.33 112.18 1fag n VAL 446 Ca -0.21 -1.64 -0.28 0.00 -2.04 0.00 0.00 64.34 60.17 1fag n VAL 446 Cb 0.56 0.91 -0.17 0.00 -1.47 0.00 0.00 33.84 33.67 1fag n VAL 446 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1fag s LYS 447 N -2.82 1.77 -0.47 7.34 2.20 -0.61 -0.37 119.74 126.78 1fag s LYS 447 Ca 0.27 -0.36 -0.17 0.00 -0.36 0.00 0.00 55.97 55.35 1fag s LYS 447 Cb 0.00 -1.77 0.06 0.00 -1.51 0.00 0.00 37.83 34.61 1fag s LYS 447 CO 0.19 -0.26 0.47 0.00 -0.36 0.00 0.00 175.35 175.39 1fag s ALA 448 N 1.64 3.48 0.06 3.13 0.00 -1.26 -0.66 121.76 128.14 1fag s ALA 448 Ca 0.05 -1.88 -0.30 0.00 0.00 0.00 0.00 51.96 49.83 1fag s ALA 448 Cb -0.13 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 1fag s ALA 448 CO -0.09 -1.79 0.99 0.21 0.00 0.00 0.00 175.76 175.08 1fag s LYS 449 N 2.05 4.62 0.05 0.00 2.47 0.21 -4.80 119.74 124.34 1fag s LYS 449 Ca 0.09 1.46 -0.30 0.00 -1.56 0.00 0.00 55.97 55.66 1fag s LYS 449 Cb -0.21 -3.41 -0.09 0.00 -1.46 0.00 0.00 37.83 32.66 1fag s LYS 449 CO 0.10 0.07 1.83 -1.12 0.16 0.00 0.00 175.35 176.38 1fag s SER 450 N 0.50 6.50 0.00 1.43 0.01 -1.26 0.26 113.70 121.14 1fag s SER 450 Ca 0.50 2.60 0.28 0.00 1.31 0.00 0.00 55.95 60.64 1fag s SER 450 Cb -0.23 -2.55 1.15 0.00 0.21 0.00 0.00 66.02 64.60 1fag s SER 450 CO 0.29 -0.99 1.81 1.17 0.41 0.00 0.00 173.24 175.93 1fag n LYS 451 N 6.61 0.89 -3.69 12.44 4.81 -0.25 -4.82 118.16 134.15 1fag n LYS 451 Ca 0.18 -0.38 -0.29 0.00 -0.87 0.00 0.00 58.31 56.95 1fag n LYS 451 Cb 0.40 -1.49 0.03 0.00 0.02 0.00 0.00 35.03 33.99 1fag n LYS 451 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1fag n LYS 452 N -0.72 -1.14 -3.93 1.64 4.81 -1.26 -4.99 118.16 112.57 1fag n LYS 452 Ca 0.15 0.58 -0.30 0.00 -0.87 0.00 0.00 58.31 57.87 1fag n LYS 452 Cb 0.29 -3.72 -0.16 0.00 0.02 0.00 0.00 35.03 31.46 1fag n LYS 452 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1fag s ILE 453 N -3.33 1.46 1.11 3.15 1.01 -1.26 -5.13 121.20 118.21 1fag s ILE 453 Ca 0.33 -1.16 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 1fag s ILE 453 Cb -0.13 -1.74 0.25 0.00 0.01 0.00 0.00 42.46 40.86 1fag s ILE 453 CO 0.87 -0.10 1.05 -2.84 0.00 0.00 0.00 174.94 173.92 1fag s PRO 454 N 1.43 -0.51 0.00 2.79 0.02 -1.26 -4.92 135.00 132.55 1fag s PRO 454 Ca -0.05 0.98 0.00 0.00 0.02 0.00 0.00 61.00 61.95 1fag s PRO 454 Cb -0.19 -1.59 0.00 0.00 0.02 0.00 0.00 34.50 32.74 1fag s PRO 454 CO -0.06 -3.49 0.00 1.47 -0.33 0.00 0.00 177.00 174.59