#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qee n LEU 1 N 0.00 0.00 -4.74 1.04 4.32 -1.26 -4.29 117.00 112.08 2qee n LEU 1 Ca 0.00 0.73 -0.41 0.00 -0.02 0.00 0.00 56.01 56.32 2qee n LEU 1 Cb 0.00 -0.23 -0.05 0.00 -1.62 0.00 0.00 43.42 41.52 2qee n LEU 1 CO 0.00 -0.23 0.71 -0.44 -1.22 0.00 0.00 177.39 176.20 2qee s SER 2 N -2.24 7.46 -0.39 -1.43 0.01 -1.26 -4.80 113.70 111.05 2qee s SER 2 Ca 0.00 1.94 -0.16 0.00 1.31 0.00 0.00 55.95 59.04 2qee s SER 2 Cb 0.00 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.64 2qee s SER 2 CO 0.00 -0.06 0.38 -0.63 0.41 0.00 0.00 173.24 173.34 2qee s ILE 3 N -0.44 5.16 -0.06 1.44 1.01 -1.26 -4.94 121.20 122.10 2qee s ILE 3 Ca 0.46 -0.30 0.10 0.00 0.00 0.00 0.00 60.65 60.91 2qee s ILE 3 Cb -0.26 -3.94 0.18 0.00 0.01 0.00 0.00 42.46 38.45 2qee s ILE 3 CO 0.32 -0.29 1.09 -0.46 0.00 0.00 0.00 174.94 175.61 2qee n ASN 4 N 5.42 1.09 -3.63 3.58 6.94 -1.26 -4.73 115.26 122.67 2qee n ASN 4 Ca -0.09 -2.55 -0.10 0.00 -0.02 0.00 0.00 54.58 51.82 2qee n ASN 4 Cb 0.48 -0.32 -0.04 0.00 -2.36 0.00 0.00 39.78 37.54 2qee n ASN 4 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2qee s SER 5 N -1.97 -0.30 0.39 0.53 1.04 -1.26 -5.02 113.70 107.11 2qee s SER 5 Ca 0.18 -0.31 0.06 0.00 0.48 0.00 0.00 55.95 56.36 2qee s SER 5 Cb 0.17 0.53 0.80 0.00 0.10 0.00 0.00 66.02 67.62 2qee s SER 5 CO -0.01 -0.93 2.03 -0.09 0.98 0.00 0.00 173.24 175.22 2qee h ARG 6 N 2.25 0.58 -0.39 4.02 2.43 -1.97 -0.31 114.38 121.00 2qee h ARG 6 Ca -0.32 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2qee h ARG 6 Cb 1.27 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 2qee h ARG 6 CO 0.42 0.41 0.24 1.49 -1.51 0.00 0.00 179.97 181.02 2qee h GLU 7 N 0.60 0.52 -0.42 0.20 4.81 -2.00 0.16 114.58 118.45 2qee h GLU 7 Ca 0.16 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 2qee h GLU 7 Cb -0.03 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 2qee h GLU 7 CO -0.03 0.38 -0.10 0.28 -0.73 0.00 0.00 179.01 178.81 2qee h VAL 8 N 0.51 1.27 -0.58 0.32 2.07 -1.85 -2.77 116.25 115.22 2qee h VAL 8 Ca 0.14 -1.20 0.09 0.00 0.82 0.00 0.00 66.70 66.55 2qee h VAL 8 Cb -0.01 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 2qee h VAL 8 CO -0.03 0.40 0.20 0.25 0.02 0.00 0.00 177.57 178.42 2qee h LEU 9 N 0.63 0.18 -0.62 2.57 5.85 -0.72 -1.69 115.31 121.51 2qee h LEU 9 Ca 0.11 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.92 2qee h LEU 9 Cb 0.63 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 2qee h LEU 9 CO 0.04 0.11 0.40 0.00 -0.34 0.00 0.00 178.44 178.66 2qee h ALA 10 N 1.41 0.80 -0.41 1.25 0.00 -0.43 0.14 119.26 122.01 2qee h ALA 10 Ca 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2qee h ALA 10 Cb 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2qee h ALA 10 CO -0.31 0.19 0.20 0.93 0.00 0.00 0.00 179.25 180.27 2qee h GLU 11 N 0.81 0.58 -0.07 0.00 5.08 -1.15 -1.84 114.58 118.00 2qee h GLU 11 Ca 0.24 -0.08 -0.21 0.00 -1.00 0.00 0.00 59.36 58.30 2qee h GLU 11 Cb -0.06 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.09 2qee h GLU 11 CO -0.07 0.50 -0.81 0.87 -1.00 0.00 0.00 179.01 178.50 2qee h LYS 12 N 0.52 0.52 -0.23 2.33 1.79 -0.79 -1.69 116.57 119.03 2qee h LYS 12 Ca 0.14 -0.47 -0.07 0.00 -2.18 0.00 0.00 60.65 58.07 2qee h LYS 12 Cb 0.10 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 2qee h LYS 12 CO -0.02 1.10 -0.14 0.28 -1.08 0.00 0.00 179.45 179.59 2qee h VAL 13 N 0.34 1.31 -0.53 0.50 2.07 -0.72 -0.84 116.25 118.38 2qee h VAL 13 Ca -0.05 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 2qee h VAL 13 Cb 1.42 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.78 2qee h VAL 13 CO 0.15 0.38 0.32 0.11 0.02 0.00 0.00 177.57 178.55 2qee h LYS 14 N 0.22 0.72 -0.15 1.57 1.57 -1.28 0.12 116.57 119.34 2qee h LYS 14 Ca 0.05 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2qee h LYS 14 Cb 0.66 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2qee h LYS 14 CO 0.04 0.53 0.08 -0.91 -0.57 0.00 0.00 179.45 178.62 2qee h ASN 15 N 0.71 0.20 -0.24 0.86 -0.26 -1.18 0.18 115.58 115.85 2qee h ASN 15 Ca 0.19 -0.09 0.01 0.00 -0.56 0.00 0.00 56.30 55.84 2qee h ASN 15 Cb -0.00 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 2qee h ASN 15 CO -0.03 0.23 0.15 0.00 -1.06 0.00 0.00 177.43 176.72 2qee h ALA 16 N 0.97 0.30 -0.29 -0.83 0.00 -0.58 0.68 119.26 119.51 2qee h ALA 16 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2qee h ALA 16 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2qee h ALA 16 CO -0.01 -0.24 0.09 0.28 0.00 0.00 0.00 179.25 179.37 2qee h VAL 17 N 0.31 1.20 -0.88 0.00 2.07 -0.46 -0.90 116.25 117.60 2qee h VAL 17 Ca 0.09 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.97 2qee h VAL 17 Cb -0.02 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 2qee h VAL 17 CO -0.03 0.22 0.58 0.78 0.02 0.00 0.00 177.57 179.14 2qee h ASN 18 N 0.31 0.99 1.83 0.57 2.35 -0.52 -3.08 115.58 118.03 2qee h ASN 18 Ca 0.09 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2qee h ASN 18 Cb 0.25 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2qee h ASN 18 CO -0.00 0.71 0.00 0.78 -1.65 0.00 0.00 177.43 177.26 2qee h ASN 19 N 1.17 0.00 -2.81 5.81 2.35 -0.62 -3.46 115.58 118.02 2qee h ASN 19 Ca 0.33 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.52 2qee h ASN 19 Cb -0.10 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 2qee h ASN 19 CO -0.08 0.00 0.98 -1.58 -1.65 0.00 0.00 177.43 175.10 2qee s GLN 20 N -3.22 4.17 0.26 0.81 2.00 -0.36 -4.98 119.66 118.34 2qee s GLN 20 Ca 0.07 1.82 -0.30 0.00 -2.00 0.00 0.00 55.36 54.95 2qee s GLN 20 Cb 0.07 -3.86 -0.11 0.00 0.80 0.00 0.00 33.01 29.90 2qee s GLN 20 CO 0.64 -0.82 1.59 -2.14 -0.50 0.00 0.00 175.29 174.06 2qee s PRO 21 N 3.80 4.16 -0.06 1.67 0.02 -1.26 -4.92 135.00 138.39 2qee s PRO 21 Ca 0.62 2.52 -0.15 0.00 0.02 0.00 0.00 61.00 64.01 2qee s PRO 21 Cb -0.26 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.16 2qee s PRO 21 CO 0.21 -0.61 0.38 0.08 -0.33 0.00 0.00 177.00 176.73 2qee s VAL 22 N 0.28 5.15 -0.26 3.83 1.01 0.97 -4.70 120.40 126.69 2qee s VAL 22 Ca 0.65 0.76 -0.12 0.00 0.00 0.00 0.00 61.98 63.27 2qee s VAL 22 Cb -0.47 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 2qee s VAL 22 CO 0.43 0.49 0.25 -0.89 0.00 0.00 0.00 175.10 175.38 2qee s THR 23 N -0.40 5.28 -0.51 3.92 2.01 -0.60 -0.34 115.64 125.00 2qee s THR 23 Ca 0.22 0.33 -0.14 0.00 0.31 0.00 0.00 61.69 62.40 2qee s THR 23 Cb -0.15 -3.58 0.11 0.00 0.01 0.00 0.00 72.50 68.89 2qee s THR 23 CO 0.10 0.25 0.44 -0.62 -0.69 0.00 0.00 174.62 174.11 2qee s ASP 24 N 1.46 6.08 0.00 3.53 -1.08 -0.22 -4.69 116.67 121.75 2qee s ASP 24 Ca 0.10 -1.70 0.24 0.00 -0.52 0.00 0.00 52.55 50.67 2qee s ASP 24 Cb -0.15 -2.16 1.05 0.00 -1.46 0.00 0.00 42.92 40.19 2qee s ASP 24 CO 0.09 -0.77 1.72 1.15 0.52 0.00 0.00 175.17 177.87 2qee n MET 25 N 5.17 1.47 -3.51 4.34 0.00 -1.26 -1.15 117.12 122.19 2qee n MET 25 Ca -0.13 -0.70 -0.06 0.00 0.00 0.00 0.00 57.70 56.81 2qee n MET 25 Cb 0.41 -1.41 -0.08 0.00 0.00 0.00 0.00 33.22 32.15 2qee n MET 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 2qee s HIS 26 N -1.91 -0.95 0.23 3.17 5.65 -1.26 -4.72 115.29 115.50 2qee s HIS 26 Ca 0.35 1.42 -0.06 0.00 0.25 0.00 0.00 55.06 57.02 2qee s HIS 26 Cb 0.18 0.30 -0.02 0.00 -1.18 0.00 0.00 32.58 31.86 2qee s HIS 26 CO 0.29 -0.62 0.30 0.95 -0.65 0.00 0.00 174.74 175.00 2qee s THR 27 N 2.65 0.00 -0.36 0.89 -4.23 -0.56 -1.22 115.64 112.81 2qee s THR 27 Ca 0.05 -1.73 0.06 0.00 -1.18 0.00 0.00 61.69 58.88 2qee s THR 27 Cb -0.13 -2.39 0.46 0.00 1.34 0.00 0.00 72.50 71.78 2qee s THR 27 CO -0.15 0.00 1.40 1.41 -0.54 0.00 0.00 174.62 176.74 2qee n HIS 28 N -0.34 2.38 -3.64 3.99 8.25 0.15 -2.45 115.22 123.55 2qee n HIS 28 Ca 0.01 -2.23 -0.21 0.00 -0.26 0.00 0.00 57.72 55.03 2qee n HIS 28 Cb 0.64 -0.58 -0.01 0.00 1.12 0.00 0.00 29.99 31.16 2qee n HIS 28 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qee s LEU 29 N -3.56 4.11 0.05 2.41 1.43 -1.19 -4.60 118.68 117.32 2qee s LEU 29 Ca 0.52 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.72 2qee s LEU 29 Cb 0.43 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 2qee s LEU 29 CO 0.02 -0.27 -0.13 -0.36 0.23 0.00 0.00 176.35 175.84 2qee s PHE 30 N -2.14 1.08 0.25 0.29 0.08 -1.26 -4.42 117.98 111.86 2qee s PHE 30 Ca 0.40 -0.43 -0.30 0.00 0.12 0.00 0.00 56.93 56.72 2qee s PHE 30 Cb -0.09 -0.62 -0.14 0.00 -0.57 0.00 0.00 43.02 41.59 2qee s PHE 30 CO 0.31 0.02 1.16 0.45 -0.10 0.00 0.00 175.22 177.07 2qee n SER 31 N 1.54 1.73 0.29 1.36 2.88 -1.26 -4.74 113.62 115.42 2qee n SER 31 Ca -0.20 1.16 0.16 0.00 -1.33 0.00 0.00 58.87 58.66 2qee n SER 31 Cb 0.54 -1.31 0.85 0.00 -0.75 0.00 0.00 64.21 63.54 2qee n SER 31 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2qee h PRO 32 N 2.89 0.00 0.00 -1.46 0.13 -1.94 -0.92 132.00 130.71 2qee h PRO 32 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2qee h PRO 32 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2qee h PRO 32 CO 0.67 0.06 0.00 0.27 -0.23 0.00 0.00 178.00 178.77 2qee n ASN 33 N -3.45 0.60 0.00 1.44 6.94 -1.26 -1.69 115.26 117.84 2qee n ASN 33 Ca -0.02 0.69 0.11 0.00 -0.02 0.00 0.00 54.58 55.34 2qee n ASN 33 Cb 0.20 -0.80 0.54 0.00 -2.36 0.00 0.00 39.78 37.36 2qee n ASN 33 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 2qee n PHE 34 N -2.21 0.00 -1.65 -2.53 3.01 -0.35 -5.01 117.46 108.72 2qee n PHE 34 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 2qee n PHE 34 Cb 0.16 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 2qee n PHE 34 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qee n GLY 35 N 0.69 -0.05 0.17 1.37 0.00 -0.68 -4.46 105.19 102.23 2qee n GLY 35 Ca 0.09 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.73 2qee n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qee h GLU 36 N 0.00 0.00 0.00 1.61 4.39 -1.95 -2.07 114.58 116.55 2qee h GLU 36 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2qee h GLU 36 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2qee h GLU 36 CO 0.00 0.00 0.00 -0.84 -1.16 0.00 0.00 179.01 177.01 2qee h ILE 37 N 0.00 0.00 -3.46 3.13 3.07 -1.97 -3.37 117.51 114.91 2qee h ILE 37 Ca 0.00 -0.18 -0.56 0.00 1.55 0.00 0.00 64.86 65.66 2qee h ILE 37 Cb 0.28 1.02 -0.06 0.00 -0.27 0.00 0.00 36.82 37.79 2qee h ILE 37 CO 0.00 0.00 0.97 -0.22 -1.05 0.00 0.00 178.15 177.85 2qee s LEU 38 N -5.49 3.69 -0.06 0.16 2.96 -0.78 -4.72 118.68 114.44 2qee s LEU 38 Ca -0.01 0.75 -0.18 0.00 -0.22 0.00 0.00 54.13 54.46 2qee s LEU 38 Cb 0.10 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.19 2qee s LEU 38 CO 0.40 -1.24 0.51 -0.76 -1.32 0.00 0.00 176.35 173.94 2qee s LEU 39 N 4.64 4.36 0.12 -0.68 1.43 -1.26 -5.01 118.68 122.28 2qee s LEU 39 Ca 0.53 0.96 -0.21 0.00 -1.03 0.00 0.00 54.13 54.38 2qee s LEU 39 Cb -0.11 -2.76 0.05 0.00 0.03 0.00 0.00 46.19 43.41 2qee s LEU 39 CO 0.29 0.09 0.52 -1.66 0.23 0.00 0.00 176.35 175.82 2qee s TRP 40 N 0.04 -0.41 0.00 0.29 1.48 -1.26 -0.06 118.94 119.03 2qee s TRP 40 Ca 0.27 0.23 0.00 0.00 -1.06 0.00 0.00 56.10 55.54 2qee s TRP 40 Cb -0.16 0.41 0.00 0.00 -1.16 0.00 0.00 33.47 32.56 2qee s TRP 40 CO 0.13 -0.75 0.00 -0.40 -4.06 0.00 0.00 176.95 171.87 2qee n ASP 41 N -0.14 0.00 0.02 -2.66 3.85 -1.26 -4.57 116.55 111.79 2qee n ASP 41 Ca -0.17 0.00 -0.00 0.00 -0.71 0.00 0.00 54.79 53.91 2qee n ASP 41 Cb 0.63 0.00 0.30 0.00 -1.35 0.00 0.00 41.12 40.71 2qee n ASP 41 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 2qee h ILE 42 N 0.00 1.20 -0.19 2.12 6.09 -1.95 0.21 117.51 124.99 2qee h ILE 42 Ca 0.00 -0.82 -0.15 0.00 -1.37 0.00 0.00 64.86 62.52 2qee h ILE 42 Cb 0.00 1.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.29 2qee h ILE 42 CO 0.00 0.28 -0.50 0.44 -3.07 0.00 0.00 178.15 175.30 2qee h ASP 43 N 0.46 0.57 -0.33 2.19 3.32 -1.95 -0.95 116.42 119.73 2qee h ASP 43 Ca 0.10 -0.29 -0.13 0.00 0.02 0.00 0.00 57.03 56.73 2qee h ASP 43 Cb 0.36 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2qee h ASP 43 CO 0.01 0.98 -0.29 -0.33 -1.72 0.00 0.00 179.24 177.89 2qee h GLU 44 N 0.41 0.85 -0.48 3.56 4.39 -1.66 -2.21 114.58 119.45 2qee h GLU 44 Ca 0.02 -0.39 0.03 0.00 0.34 0.00 0.00 59.36 59.36 2qee h GLU 44 Cb 1.02 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.62 2qee h GLU 44 CO 0.09 1.02 0.27 -0.07 -1.16 0.00 0.00 179.01 179.17 2qee h LEU 45 N 0.72 0.42 -1.00 1.33 3.38 -0.63 -2.43 115.31 117.11 2qee h LEU 45 Ca 0.08 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2qee h LEU 45 Cb 0.84 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2qee h LEU 45 CO 0.07 0.30 -0.50 -0.07 0.09 0.00 0.00 178.44 178.33 2qee h LEU 46 N 0.53 0.00 -2.58 1.67 3.38 -1.04 -3.04 115.31 114.23 2qee h LEU 46 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2qee h LEU 46 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2qee h LEU 46 CO -0.11 0.50 0.00 0.35 0.09 0.00 0.00 178.44 179.27 2qee n THR 47 N -3.93 0.94 -1.51 0.22 -2.24 -0.84 -4.65 114.28 102.26 2qee n THR 47 Ca -0.01 -0.94 -0.43 0.00 -2.27 0.00 0.00 64.05 60.40 2qee n THR 47 Cb 0.52 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 2qee n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qee n TYR 48 N 1.56 0.23 0.27 4.78 9.36 -0.93 -4.70 117.16 127.72 2qee n TYR 48 Ca 0.23 0.64 0.14 0.00 3.32 0.00 0.00 57.90 62.24 2qee n TYR 48 Cb 0.59 -2.09 0.75 0.00 -0.63 0.00 0.00 39.34 37.96 2qee n TYR 48 CO 0.00 0.00 0.00 1.12 0.22 0.00 0.00 176.86 178.20 2qee h HIS 49 N 1.20 0.00 -0.79 2.98 2.07 -1.92 -0.22 115.15 118.48 2qee h HIS 49 Ca -0.40 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.18 2qee h HIS 49 Cb 1.38 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.31 2qee h HIS 49 CO 0.40 0.10 0.52 1.88 -3.07 0.00 0.00 177.93 177.76 2qee h TYR 50 N 0.00 0.88 0.00 6.12 -1.99 -1.93 -2.29 116.97 117.75 2qee h TYR 50 Ca -0.00 0.02 -0.20 0.00 2.00 0.00 0.00 58.73 60.55 2qee h TYR 50 Cb 0.36 -0.29 -0.03 0.00 2.00 0.00 0.00 36.73 38.77 2qee h TYR 50 CO 0.00 0.47 -1.04 -0.07 -0.00 0.00 0.00 178.16 177.51 2qee h LEU 51 N 0.87 0.00 -0.23 3.88 3.38 -1.34 -2.92 115.31 118.96 2qee h LEU 51 Ca 0.34 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.32 2qee h LEU 51 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2qee h LEU 51 CO -0.12 0.86 0.12 0.58 0.09 0.00 0.00 178.44 179.98 2qee h VAL 52 N 0.00 1.02 -0.28 1.22 2.07 -1.15 0.17 116.25 119.29 2qee h VAL 52 Ca -0.07 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.41 2qee h VAL 52 Cb 1.71 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 2qee h VAL 52 CO 0.10 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.74 2qee h ALA 53 N 1.10 0.25 -0.66 1.67 0.00 -1.45 -1.98 119.26 118.19 2qee h ALA 53 Ca 0.09 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2qee h ALA 53 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2qee h ALA 53 CO -0.05 -0.41 0.08 0.93 0.00 0.00 0.00 179.25 179.80 2qee h GLU 54 N 0.09 1.11 -0.35 0.00 5.08 -1.28 -2.83 114.58 116.40 2qee h GLU 54 Ca 0.13 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 2qee h GLU 54 Cb 0.18 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2qee h GLU 54 CO -0.23 1.03 -0.10 -0.24 -1.00 0.00 0.00 179.01 178.47 2qee h VAL 55 N 1.03 1.24 0.00 3.13 3.04 -0.37 -2.56 116.25 121.76 2qee h VAL 55 Ca 0.20 -1.06 -0.00 0.00 -1.01 0.00 0.00 66.70 64.83 2qee h VAL 55 Cb 0.48 1.08 -0.00 0.00 -2.01 0.00 0.00 31.29 30.84 2qee h VAL 55 CO 0.02 0.35 -0.01 0.24 -1.01 0.00 0.00 177.57 177.16 2qee h MET 56 N 0.56 0.00 0.00 4.17 2.86 -1.11 0.39 114.93 121.79 2qee h MET 56 Ca 0.10 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2qee h MET 56 Cb 0.51 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 2qee h MET 56 CO 0.03 0.01 -0.06 0.00 1.06 0.00 0.00 176.91 177.95 2qee h ARG 57 N 0.00 0.00 0.00 1.72 3.08 -1.38 -3.37 114.38 114.43 2qee h ARG 57 Ca -0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 2qee h ARG 57 Cb 0.30 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2qee h ARG 57 CO 0.00 0.06 -1.69 0.91 -1.07 0.00 0.00 179.97 178.18 2qee n TRP 58 N -3.18 0.00 -2.46 3.04 7.02 -0.26 -5.07 117.44 116.52 2qee n TRP 58 Ca 0.00 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.15 2qee n TRP 58 Cb 0.33 -0.46 -0.03 0.00 -2.42 0.00 0.00 31.31 28.73 2qee n TRP 58 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 2qee s THR 59 N -2.24 4.09 -0.95 -0.99 -1.32 -0.04 -4.97 115.64 109.22 2qee s THR 59 Ca -0.17 1.16 0.25 0.00 -1.21 0.00 0.00 61.69 61.72 2qee s THR 59 Cb 0.05 -3.53 -0.01 0.00 -1.51 0.00 0.00 72.50 67.50 2qee s THR 59 CO 0.26 -0.42 1.35 0.47 -2.21 0.00 0.00 174.62 174.08 2qee n ASP 60 N -1.27 0.55 -4.77 8.08 8.00 -1.26 -4.89 116.55 121.00 2qee n ASP 60 Ca 0.08 -0.27 -0.41 0.00 0.71 0.00 0.00 54.79 54.90 2qee n ASP 60 Cb 0.53 0.32 -0.01 0.00 -0.02 0.00 0.00 41.12 41.94 2qee n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qee s VAL 61 N -3.02 2.14 0.63 2.53 1.01 -1.26 -4.98 120.40 117.45 2qee s VAL 61 Ca 0.10 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 2qee s VAL 61 Cb 0.17 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 2qee s VAL 61 CO 0.72 0.03 1.04 -0.94 0.00 0.00 0.00 175.10 175.94 2qee s SER 62 N 0.10 6.07 0.37 3.32 1.04 -1.26 -4.86 113.70 118.48 2qee s SER 62 Ca 0.57 1.46 0.08 0.00 0.48 0.00 0.00 55.95 58.54 2qee s SER 62 Cb -0.46 -2.48 0.73 0.00 0.10 0.00 0.00 66.02 63.91 2qee s SER 62 CO 0.56 -0.98 1.91 -0.29 0.98 0.00 0.00 173.24 175.41 2qee h ILE 63 N -0.38 1.18 -0.22 -1.02 6.09 -1.97 -0.01 117.51 121.18 2qee h ILE 63 Ca -0.44 -0.76 -0.04 0.00 -1.37 0.00 0.00 64.86 62.25 2qee h ILE 63 Cb 1.19 1.10 -0.01 0.00 0.47 0.00 0.00 36.82 39.58 2qee h ILE 63 CO 0.61 0.24 -0.04 -0.33 -3.07 0.00 0.00 178.15 175.57 2qee h GLU 64 N 0.32 0.41 -0.76 2.19 3.07 -1.94 -2.05 114.58 115.82 2qee h GLU 64 Ca 0.07 -0.15 0.02 0.00 -0.50 0.00 0.00 59.36 58.80 2qee h GLU 64 Cb 0.34 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.19 2qee h GLU 64 CO 0.02 0.64 0.50 0.00 -1.40 0.00 0.00 179.01 178.76 2qee h ALA 65 N 0.76 0.98 -0.14 3.43 0.00 -1.86 -2.15 119.26 120.28 2qee h ALA 65 Ca 0.06 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2qee h ALA 65 Cb 0.48 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2qee h ALA 65 CO 0.02 0.35 -0.16 0.35 0.00 0.00 0.00 179.25 179.81 2qee h PHE 66 N 1.00 -0.41 0.00 0.00 3.57 -0.76 -1.92 116.94 118.43 2qee h PHE 66 Ca 0.29 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 2qee h PHE 66 Cb -0.07 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 2qee h PHE 66 CO -0.02 -0.23 -0.08 -1.49 -2.23 0.00 0.00 178.31 174.26 2qee h TRP 67 N -0.20 0.00 0.00 0.41 -0.00 -1.08 -2.12 115.95 112.97 2qee h TRP 67 Ca 0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 58.89 58.87 2qee h TRP 67 Cb 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.48 2qee h TRP 67 CO -0.28 0.08 -0.58 0.00 -0.00 0.00 0.00 178.44 177.66 2qee h ALA 68 N 1.92 0.76 -2.48 1.49 0.00 -0.71 -3.46 119.26 116.79 2qee h ALA 68 Ca -0.00 -0.52 -0.52 0.00 0.00 0.00 0.00 54.91 53.86 2qee h ALA 68 Cb 0.36 -0.09 0.16 0.00 0.00 0.00 0.00 17.79 18.21 2qee h ALA 68 CO 0.01 0.72 0.33 -1.64 0.00 0.00 0.00 179.25 178.67 2qee s MET 69 N -3.23 1.94 0.82 0.00 -1.94 -0.80 -5.02 119.30 111.08 2qee s MET 69 Ca 0.01 1.55 -0.11 0.00 -1.71 0.00 0.00 55.69 55.43 2qee s MET 69 Cb 0.10 -1.83 0.08 0.00 2.01 0.00 0.00 34.83 35.19 2qee s MET 69 CO 0.74 -1.94 1.10 -1.54 -0.01 0.00 0.00 175.02 173.37 2qee s SER 70 N -2.51 4.24 0.22 3.03 1.04 -1.26 -4.81 113.70 113.64 2qee s SER 70 Ca 0.69 1.36 -0.07 0.00 0.48 0.00 0.00 55.95 58.41 2qee s SER 70 Cb -0.24 -2.08 0.29 0.00 0.10 0.00 0.00 66.02 64.09 2qee s SER 70 CO 0.50 -2.14 1.82 0.50 0.98 0.00 0.00 173.24 174.90 2qee h LYS 71 N -1.20 0.75 -0.73 4.02 3.64 -1.96 -0.39 116.57 120.70 2qee h LYS 71 Ca -0.48 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2qee h LYS 71 Cb 1.27 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 2qee h LYS 71 CO 0.58 0.50 0.44 -0.09 -2.27 0.00 0.00 179.45 178.61 2qee h ARG 72 N 0.77 0.98 -0.60 1.90 2.43 -1.94 -0.37 114.38 117.56 2qee h ARG 72 Ca 0.34 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.32 2qee h ARG 72 Cb 0.22 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2qee h ARG 72 CO -0.19 0.69 -0.03 0.93 -1.51 0.00 0.00 179.97 179.86 2qee h GLU 73 N 0.99 1.07 -0.08 0.20 5.08 -1.72 0.22 114.58 120.34 2qee h GLU 73 Ca 0.26 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2qee h GLU 73 Cb -0.05 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2qee h GLU 73 CO -0.05 1.06 0.00 1.96 -1.00 0.00 0.00 179.01 180.98 2qee h GLN 74 N 0.96 0.03 -0.79 2.33 4.20 -0.77 -0.53 115.11 120.54 2qee h GLN 74 Ca 0.17 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 2qee h GLN 74 Cb 0.59 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 2qee h GLN 74 CO 0.04 0.02 0.46 0.00 -0.67 0.00 0.00 178.83 178.68 2qee h ALA 75 N 1.06 1.00 -0.68 3.87 0.00 -0.82 -0.82 119.26 122.88 2qee h ALA 75 Ca 0.04 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2qee h ALA 75 Cb 0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 2qee h ALA 75 CO -0.06 0.48 0.44 -0.44 0.00 0.00 0.00 179.25 179.67 2qee h ASP 76 N 1.08 0.74 -0.18 0.00 3.32 -0.68 0.44 116.42 121.13 2qee h ASP 76 Ca 0.28 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 2qee h ASP 76 Cb -0.02 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2qee h ASP 76 CO -0.05 0.52 0.04 0.25 -1.72 0.00 0.00 179.24 178.28 2qee h LEU 77 N 0.87 0.28 -0.70 1.55 5.85 -0.63 -1.02 115.31 121.52 2qee h LEU 77 Ca 0.26 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2qee h LEU 77 Cb -0.04 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2qee h LEU 77 CO -0.08 0.44 0.39 0.40 -0.34 0.00 0.00 178.44 179.25 2qee h ILE 78 N 0.10 1.21 0.09 4.05 2.04 -0.98 0.90 117.51 124.92 2qee h ILE 78 Ca 0.06 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.40 2qee h ILE 78 Cb 0.28 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2qee h ILE 78 CO 0.00 0.23 -0.11 -0.25 0.00 0.00 0.00 178.15 178.02 2qee h TRP 79 N 0.96 -0.28 -0.45 1.37 2.91 -0.81 -0.66 115.95 118.99 2qee h TRP 79 Ca 0.25 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.24 2qee h TRP 79 Cb 0.03 0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.77 2qee h TRP 79 CO -0.01 -0.17 0.18 1.49 -1.03 0.00 0.00 178.44 178.90 2qee h GLU 80 N -0.23 0.68 0.01 2.65 4.57 -0.79 -1.10 114.58 120.37 2qee h GLU 80 Ca 0.01 -0.12 -0.22 0.00 -1.18 0.00 0.00 59.36 57.85 2qee h GLU 80 Cb 0.24 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2qee h GLU 80 CO -0.05 0.62 -0.94 0.93 -1.18 0.00 0.00 179.01 178.39 2qee h GLU 81 N 0.59 0.30 0.00 1.92 4.39 -0.74 -0.74 114.58 120.30 2qee h GLU 81 Ca 0.15 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2qee h GLU 81 Cb 0.20 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2qee h GLU 81 CO -0.01 1.05 -1.71 1.28 -1.16 0.00 0.00 179.01 178.46 2qee n LEU 82 N -3.68 0.01 -0.05 1.33 4.77 -0.26 -3.96 117.00 115.15 2qee n LEU 82 Ca -0.05 -0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.85 2qee n LEU 82 Cb 0.84 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.87 2qee n LEU 82 CO 0.50 0.00 -0.85 0.49 -1.33 0.00 0.00 177.39 176.20 2qee n PHE 83 N -2.04 0.00 -0.11 -1.77 3.72 -0.46 -3.24 117.46 113.57 2qee n PHE 83 Ca -0.03 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.12 2qee n PHE 83 Cb 0.41 -0.46 -0.11 0.00 -0.94 0.00 0.00 39.48 38.38 2qee n PHE 83 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2qee n ILE 84 N -2.66 1.55 0.32 4.37 2.08 -0.96 -4.37 119.36 119.69 2qee n ILE 84 Ca -0.19 -0.35 0.12 0.00 0.56 0.00 0.00 62.75 62.90 2qee n ILE 84 Cb 0.75 -1.84 0.22 0.00 -0.75 0.00 0.00 39.64 38.03 2qee n ILE 84 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2qee h LYS 85 N -0.72 0.00 -3.99 0.38 1.57 -1.32 -3.45 116.57 109.04 2qee h LYS 85 Ca -0.56 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.08 2qee h LYS 85 Cb 1.62 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.75 2qee h LYS 85 CO -0.26 0.00 -0.62 1.03 -0.57 0.00 0.00 179.45 179.03 2qee s ARG 86 N -3.19 0.51 0.31 3.15 3.00 -1.25 -5.05 118.95 116.43 2qee s ARG 86 Ca 0.08 -0.85 -0.29 0.00 0.00 0.00 0.00 55.73 54.67 2qee s ARG 86 Cb 0.07 0.19 -0.10 0.00 0.00 0.00 0.00 34.95 35.11 2qee s ARG 86 CO 0.66 -0.11 1.26 -1.12 0.00 0.00 0.00 175.30 175.99 2qee s SER 87 N -2.16 6.89 -1.33 0.23 0.01 -1.26 -3.65 113.70 112.43 2qee s SER 87 Ca -0.05 2.58 -0.08 0.00 1.31 0.00 0.00 55.95 59.71 2qee s SER 87 Cb -0.01 -2.64 -0.07 0.00 0.21 0.00 0.00 66.02 63.51 2qee s SER 87 CO -0.05 -0.44 2.59 -0.81 0.41 0.00 0.00 173.24 174.94 2qee n PRO 88 N 1.01 3.01 0.07 12.44 -0.04 -1.20 -4.61 135.00 145.68 2qee n PRO 88 Ca 0.00 -1.90 0.12 0.00 -0.04 0.00 0.00 63.50 61.68 2qee n PRO 88 Cb 0.42 -2.67 0.22 0.00 -0.04 0.00 0.00 33.50 31.44 2qee n PRO 88 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2qee h VAL 89 N 3.21 0.00 -4.25 0.52 -1.51 -1.90 -3.09 116.25 109.23 2qee h VAL 89 Ca 0.71 -0.51 -0.51 0.00 -1.23 0.00 0.00 66.70 65.16 2qee h VAL 89 Cb 0.24 1.19 0.15 0.00 -2.13 0.00 0.00 31.29 30.74 2qee h VAL 89 CO 1.65 0.00 0.28 -0.94 -1.23 0.00 0.00 177.57 177.33 2qee s SER 90 N -4.36 3.87 0.24 4.19 1.04 -1.26 -4.70 113.70 112.73 2qee s SER 90 Ca 0.07 1.87 -0.06 0.00 0.48 0.00 0.00 55.95 58.31 2qee s SER 90 Cb 0.13 -2.49 0.25 0.00 0.10 0.00 0.00 66.02 64.01 2qee s SER 90 CO 0.69 -2.45 1.88 -0.08 0.98 0.00 0.00 173.24 174.27 2qee h GLU 91 N -1.41 1.25 -0.24 4.02 4.57 -1.97 0.11 114.58 120.91 2qee h GLU 91 Ca -0.45 -0.12 -0.16 0.00 -1.18 0.00 0.00 59.36 57.45 2qee h GLU 91 Cb 1.25 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 2qee h GLU 91 CO 0.49 0.89 -0.50 0.00 -1.18 0.00 0.00 179.01 178.71 2qee h ALA 92 N 1.32 0.66 -0.08 2.92 0.00 -1.95 -0.21 119.26 121.92 2qee h ALA 92 Ca 0.33 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2qee h ALA 92 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2qee h ALA 92 CO -0.06 0.68 -0.24 0.00 0.00 0.00 0.00 179.25 179.63 2qee h ARG 94 N -0.17 0.44 -0.62 0.00 2.43 -0.70 -1.88 114.38 113.87 2qee h ARG 94 Ca -0.01 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2qee h ARG 94 Cb 0.86 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.27 2qee h ARG 94 CO 0.05 0.29 0.38 0.78 -1.51 0.00 0.00 179.97 179.96 2qee h GLY 95 N 0.45 0.88 0.42 2.80 0.00 -0.67 -1.01 103.07 105.93 2qee h GLY 95 Ca 0.52 -0.28 0.10 0.00 0.00 0.00 0.00 47.33 47.66 2qee h GLY 95 CO -0.48 0.24 0.34 -2.08 0.00 0.00 0.00 176.54 174.56 2qee h VAL 96 N 0.74 0.81 -0.45 4.60 2.07 -1.08 -1.11 116.25 121.83 2qee h VAL 96 Ca 0.25 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 2qee h VAL 96 Cb 0.02 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 2qee h VAL 96 CO -0.10 0.10 0.19 -0.07 0.02 0.00 0.00 177.57 177.71 2qee h LEU 97 N 0.56 0.62 -0.95 2.57 3.38 -1.05 -1.33 115.31 119.11 2qee h LEU 97 Ca 0.36 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.20 2qee h LEU 97 Cb 0.41 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 2qee h LEU 97 CO -0.29 0.61 0.62 0.74 0.09 0.00 0.00 178.44 180.21 2qee h THR 98 N 0.59 1.16 0.10 0.22 2.02 -0.82 -0.53 112.91 115.64 2qee h THR 98 Ca 0.15 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 2qee h THR 98 Cb 0.18 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 2qee h THR 98 CO -0.01 0.22 -0.05 0.00 0.37 0.00 0.00 175.52 176.05 2qee h LEU 100 N -0.26 -0.54 -0.65 0.00 3.38 -0.89 -2.19 115.31 114.17 2qee h LEU 100 Ca -0.01 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2qee h LEU 100 Cb 0.21 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 2qee h LEU 100 CO 0.02 -0.21 0.38 -0.61 0.09 0.00 0.00 178.44 178.11 2qee h GLN 101 N -0.16 0.70 -0.86 1.13 4.15 -1.08 -1.53 115.11 117.47 2qee h GLN 101 Ca 0.13 -0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.59 2qee h GLN 101 Cb 0.36 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 27.83 2qee h GLN 101 CO -0.33 0.46 0.56 0.78 -1.93 0.00 0.00 178.83 178.37 2qee h GLY 102 N 0.72 1.22 1.64 2.39 0.00 -0.75 -1.11 103.07 107.19 2qee h GLY 102 Ca 0.28 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2qee h GLY 102 CO -0.14 0.25 0.00 1.04 0.00 0.00 0.00 176.54 177.68 2qee n LEU 103 N -4.50 0.00 0.00 3.11 4.77 -0.86 -4.90 117.00 114.62 2qee n LEU 103 Ca 0.13 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 2qee n LEU 103 Cb 0.25 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2qee n LEU 103 CO 0.32 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2qee n GLY 104 N 0.84 0.76 3.84 -0.72 0.00 -0.42 -5.08 105.19 104.42 2qee n GLY 104 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 2qee n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qee s LEU 105 N 0.00 3.14 -0.35 0.99 1.43 -0.61 -5.00 118.68 118.27 2qee s LEU 105 Ca 0.00 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 2qee s LEU 105 Cb 0.00 -4.43 0.09 0.00 0.03 0.00 0.00 46.19 41.88 2qee s LEU 105 CO 0.00 -1.21 0.09 -0.62 0.23 0.00 0.00 176.35 174.84 2qee s ASP 106 N -4.00 4.96 0.61 2.29 2.15 -1.26 -3.93 116.67 117.49 2qee s ASP 106 Ca 0.57 -1.89 0.31 0.00 0.43 0.00 0.00 52.55 51.97 2qee s ASP 106 Cb -0.13 -1.72 1.77 0.00 -0.30 0.00 0.00 42.92 42.54 2qee s ASP 106 CO 0.54 -0.41 2.11 -0.65 -0.17 0.00 0.00 175.17 176.60 2qee h PRO 107 N 7.87 0.00 -0.53 4.34 0.11 -1.90 -2.69 132.00 139.20 2qee h PRO 107 Ca -0.12 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.06 2qee h PRO 107 Cb 1.04 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 2qee h PRO 107 CO 0.59 0.00 0.35 0.00 -0.21 0.00 0.00 178.00 178.73 2qee h ALA 108 N 1.74 1.92 0.00 -0.75 0.00 -2.01 -2.16 119.26 118.00 2qee h ALA 108 Ca 0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2qee h ALA 108 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2qee h ALA 108 CO -0.00 -0.02 -0.43 1.79 0.00 0.00 0.00 179.25 180.59 2qee h THR 109 N 0.44 0.82 -1.81 0.00 1.35 -1.92 -3.47 112.91 108.33 2qee h THR 109 Ca 0.23 -1.87 -0.41 0.00 -0.55 0.00 0.00 66.41 63.81 2qee h THR 109 Cb 0.35 2.20 -0.10 0.00 -1.73 0.00 0.00 68.15 68.86 2qee h THR 109 CO -0.06 0.42 -0.44 0.54 -0.25 0.00 0.00 175.52 175.73 2qee n ARG 110 N -3.33 -1.50 -3.01 4.72 1.74 -0.82 -4.89 116.66 109.58 2qee n ARG 110 Ca 0.01 1.11 -0.44 0.00 -0.77 0.00 0.00 57.85 57.76 2qee n ARG 110 Cb 0.63 -5.58 -0.01 0.00 -1.02 0.00 0.00 32.46 26.48 2qee n ARG 110 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2qee s ASP 111 N -2.48 7.01 0.40 0.55 -1.08 -1.26 -4.83 116.67 114.97 2qee s ASP 111 Ca 0.00 -2.88 0.10 0.00 -0.52 0.00 0.00 52.55 49.25 2qee s ASP 111 Cb 0.00 -2.37 0.89 0.00 -1.46 0.00 0.00 42.92 39.99 2qee s ASP 111 CO 0.00 -0.74 1.96 0.25 0.52 0.00 0.00 175.17 177.16 2qee h LEU 112 N 9.36 0.51 -0.38 -1.34 5.85 -1.98 -1.72 115.31 125.62 2qee h LEU 112 Ca 0.26 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.92 2qee h LEU 112 Cb 0.91 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 2qee h LEU 112 CO 1.17 0.31 -0.04 1.56 -0.34 0.00 0.00 178.44 181.11 2qee h GLN 113 N 0.58 0.69 -0.55 1.25 1.08 -2.00 -0.60 115.11 115.56 2qee h GLN 113 Ca 0.31 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2qee h GLN 113 Cb 0.45 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.80 2qee h GLN 113 CO -0.10 0.81 0.35 0.28 -0.95 0.00 0.00 178.83 179.23 2qee h VAL 114 N 0.51 1.15 -0.67 -0.54 2.07 -1.79 -1.71 116.25 115.26 2qee h VAL 114 Ca 0.10 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.41 2qee h VAL 114 Cb 0.52 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 2qee h VAL 114 CO 0.03 0.15 0.35 1.88 0.02 0.00 0.00 177.57 179.99 2qee h TYR 115 N 0.74 0.63 -0.71 1.57 0.05 -1.05 -2.21 116.97 115.99 2qee h TYR 115 Ca 0.20 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.99 2qee h TYR 115 Cb -0.07 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.46 2qee h TYR 115 CO -0.03 0.26 0.36 0.00 -1.05 0.00 0.00 178.16 177.70 2qee h ARG 116 N 0.62 0.99 -0.62 4.88 3.08 -0.58 -1.86 114.38 120.90 2qee h ARG 116 Ca 0.32 -0.12 0.07 0.00 0.07 0.00 0.00 59.98 60.32 2qee h ARG 116 Cb 0.28 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 2qee h ARG 116 CO -0.23 0.75 0.41 0.93 -1.07 0.00 0.00 179.97 180.76 2qee h GLU 117 N 1.00 0.54 -0.93 0.04 5.08 -0.70 -2.08 114.58 117.52 2qee h GLU 117 Ca 0.25 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 2qee h GLU 117 Cb 0.07 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 2qee h GLU 117 CO -0.04 0.36 0.60 -0.92 -1.00 0.00 0.00 179.01 178.02 2qee h TYR 118 N 0.56 1.13 0.00 4.33 3.20 -1.14 -2.90 116.97 122.15 2qee h TYR 118 Ca 0.27 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 61.95 2qee h TYR 118 Cb 0.35 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 2qee h TYR 118 CO -0.00 0.63 -1.13 0.74 -1.64 0.00 0.00 178.16 176.76 2qee h PHE 119 N 1.15 0.00 0.00 -3.82 0.04 -1.47 -3.33 116.94 109.51 2qee h PHE 119 Ca 0.38 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.14 2qee h PHE 119 Cb 0.05 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 2qee h PHE 119 CO -0.01 0.93 -0.04 0.00 -0.60 0.00 0.00 178.31 178.59 2qee h ALA 120 N 1.07 1.15 -0.25 2.45 0.00 -1.28 -2.56 119.26 119.85 2qee h ALA 120 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qee h ALA 120 Cb 1.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2qee h ALA 120 CO 0.11 0.06 0.00 0.36 0.00 0.00 0.00 179.25 179.77 2qee n LYS 121 N -3.36 2.18 -4.28 0.00 2.85 -1.25 -4.97 118.16 109.33 2qee n LYS 121 Ca -0.02 -1.76 -0.24 0.00 -1.05 0.00 0.00 58.31 55.24 2qee n LYS 121 Cb 0.18 -1.46 -0.07 0.00 -0.65 0.00 0.00 35.03 33.02 2qee n LYS 121 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2qee s LYS 122 N -1.69 2.30 0.45 -1.58 1.02 -0.96 -5.14 119.74 114.13 2qee s LYS 122 Ca 0.35 -1.37 -0.02 0.00 0.02 0.00 0.00 55.97 54.95 2qee s LYS 122 Cb 0.20 -2.19 -0.02 0.00 -0.52 0.00 0.00 37.83 35.31 2qee s LYS 122 CO 0.30 0.38 0.70 0.95 -0.92 0.00 0.00 175.35 176.76 2qee s THR 123 N -2.22 4.54 0.22 2.17 -4.23 -1.26 -4.99 115.64 109.87 2qee s THR 123 Ca 0.31 -0.21 -0.09 0.00 -1.18 0.00 0.00 61.69 60.52 2qee s THR 123 Cb -0.07 -3.70 0.18 0.00 1.34 0.00 0.00 72.50 70.25 2qee s THR 123 CO 0.19 -0.57 1.70 0.28 -0.54 0.00 0.00 174.62 175.68 2qee h SER 124 N 0.37 -0.03 -0.77 3.99 0.02 -1.97 -1.46 113.55 113.69 2qee h SER 124 Ca -0.47 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 2qee h SER 124 Cb 1.23 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.91 2qee h SER 124 CO 0.60 -0.01 0.42 -0.33 -1.14 0.00 0.00 176.83 176.37 2qee h GLU 125 N 0.24 1.08 -0.30 3.45 3.07 -1.94 0.21 114.58 120.39 2qee h GLU 125 Ca 0.33 -0.13 -0.12 0.00 -0.50 0.00 0.00 59.36 58.95 2qee h GLU 125 Cb 0.51 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 2qee h GLU 125 CO -0.44 0.80 -0.27 0.93 -1.40 0.00 0.00 179.01 178.63 2qee h GLU 126 N 1.07 0.71 -0.43 2.33 5.08 -1.83 -2.48 114.58 119.04 2qee h GLU 126 Ca 0.27 -0.37 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 2qee h GLU 126 Cb 0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2qee h GLU 126 CO -0.04 0.98 -0.08 0.37 -1.00 0.00 0.00 179.01 179.24 2qee h GLN 127 N 0.46 0.74 -0.09 2.33 5.75 -0.89 -1.08 115.11 122.34 2qee h GLN 127 Ca 0.05 -0.23 -0.00 0.00 -0.15 0.00 0.00 58.65 58.32 2qee h GLN 127 Cb 0.84 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.31 2qee h GLN 127 CO 0.07 0.81 0.05 0.28 -2.65 0.00 0.00 178.83 177.38 2qee h VAL 128 N 0.68 1.09 -0.32 2.39 2.07 -0.88 0.29 116.25 121.57 2qee h VAL 128 Ca 0.12 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.44 2qee h VAL 128 Cb 0.54 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2qee h VAL 128 CO 0.03 0.08 0.05 0.44 0.02 0.00 0.00 177.57 178.18 2qee h ASP 129 N 0.04 -0.03 0.30 0.57 3.32 -1.19 -0.32 116.42 119.11 2qee h ASP 129 Ca 0.03 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 2qee h ASP 129 Cb 0.08 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2qee h ASP 129 CO -0.00 0.02 -0.27 0.74 -1.72 0.00 0.00 179.24 178.00 2qee h THR 130 N 0.15 0.42 -0.25 0.35 2.02 -1.00 -2.52 112.91 112.09 2qee h THR 130 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 2qee h THR 130 Cb 0.18 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2qee h THR 130 CO -0.22 0.00 0.09 0.58 0.37 0.00 0.00 175.52 176.35 2qee h VAL 131 N -0.59 1.18 -0.51 3.16 2.07 -0.16 0.37 116.25 121.76 2qee h VAL 131 Ca -0.01 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2qee h VAL 131 Cb 0.54 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2qee h VAL 131 CO -0.04 0.18 0.23 -0.07 0.02 0.00 0.00 177.57 177.89 2qee h LEU 132 N 0.25 0.65 0.02 2.57 3.38 -1.12 0.17 115.31 121.22 2qee h LEU 132 Ca 0.08 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2qee h LEU 132 Cb 0.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2qee h LEU 132 CO -0.01 0.57 -0.01 -0.61 0.09 0.00 0.00 178.44 178.47 2qee h GLN 133 N 0.72 -0.02 -0.89 1.13 -0.00 -1.18 0.53 115.11 115.40 2qee h GLN 133 Ca 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.83 2qee h GLN 133 Cb 0.10 0.01 -0.04 0.00 0.00 0.00 0.00 27.48 27.54 2qee h GLN 133 CO -0.02 0.38 0.55 -0.07 0.00 0.00 0.00 178.83 179.68 2qee h LEU 134 N -0.43 1.05 -0.59 -2.39 3.38 -0.60 -2.26 115.31 113.47 2qee h LEU 134 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2qee h LEU 134 Cb 0.42 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2qee h LEU 134 CO 0.00 0.79 -0.11 0.00 0.09 0.00 0.00 178.44 179.21 2qee n ALA 135 N -2.40 2.80 -3.98 1.53 0.00 0.56 -4.95 120.51 114.07 2qee n ALA 135 Ca 0.10 -0.38 -0.27 0.00 0.00 0.00 0.00 53.44 52.89 2qee n ALA 135 Cb 0.05 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.27 2qee n ALA 135 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2qee n ASN 136 N -0.42 -1.00 -4.52 0.00 5.15 0.02 -4.81 115.26 109.68 2qee n ASN 136 Ca 0.16 -0.99 -0.35 0.00 -0.60 0.00 0.00 54.58 52.80 2qee n ASN 136 Cb 0.32 -3.10 -0.12 0.00 -0.53 0.00 0.00 39.78 36.35 2qee n ASN 136 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2qee s VAL 137 N -3.82 4.41 -0.12 3.44 1.01 -0.27 -0.02 120.40 125.03 2qee s VAL 137 Ca 0.14 -0.15 0.11 0.00 0.00 0.00 0.00 61.98 62.08 2qee s VAL 137 Cb -0.08 -3.02 -0.24 0.00 0.00 0.00 0.00 36.38 33.05 2qee s VAL 137 CO 0.89 0.40 0.38 -1.54 0.00 0.00 0.00 175.10 175.23 2qee n SER 138 N 4.27 0.81 -3.82 3.32 3.41 0.54 -4.68 113.62 117.47 2qee n SER 138 Ca -0.16 0.22 -0.13 0.00 -0.26 0.00 0.00 58.87 58.54 2qee n SER 138 Cb 0.52 0.16 -0.15 0.00 -0.26 0.00 0.00 64.21 64.48 2qee n SER 138 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2qee s ASP 139 N -6.04 0.03 -0.11 4.04 1.01 -1.14 -4.73 116.67 109.74 2qee s ASP 139 Ca -0.10 0.03 0.04 0.00 0.71 0.00 0.00 52.55 53.22 2qee s ASP 139 Cb 0.07 -0.03 0.00 0.00 1.01 0.00 0.00 42.92 43.98 2qee s ASP 139 CO 0.81 -0.07 -0.23 -0.69 0.21 0.00 0.00 175.17 175.20 2qee s VAL 140 N 0.55 2.00 -0.22 -1.27 1.01 0.85 -1.05 120.40 122.27 2qee s VAL 140 Ca -0.05 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 60.85 2qee s VAL 140 Cb -0.07 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 2qee s VAL 140 CO -0.02 0.55 0.16 -0.69 0.00 0.00 0.00 175.10 175.10 2qee s VAL 141 N 0.48 5.38 0.61 2.92 1.01 -0.30 0.05 120.40 130.56 2qee s VAL 141 Ca -0.16 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 2qee s VAL 141 Cb -0.17 -3.50 0.06 0.00 0.00 0.00 0.00 36.38 32.77 2qee s VAL 141 CO 0.06 0.39 0.87 -0.04 0.00 0.00 0.00 175.10 176.37 2qee s MET 142 N 0.71 2.30 -0.34 2.72 -1.94 0.58 -1.49 119.30 121.84 2qee s MET 142 Ca 0.08 -0.75 -0.04 0.00 -1.71 0.00 0.00 55.69 53.27 2qee s MET 142 Cb -0.12 -2.39 0.06 0.00 2.01 0.00 0.00 34.83 34.38 2qee s MET 142 CO 0.02 -0.97 0.08 0.99 -0.01 0.00 0.00 175.02 175.13 2qee s THR 143 N -2.93 3.39 -0.27 2.05 2.01 -1.02 -3.21 115.64 115.66 2qee s THR 143 Ca 0.60 -1.40 -0.05 0.00 0.31 0.00 0.00 61.69 61.15 2qee s THR 143 Cb -0.09 -3.01 0.01 0.00 0.01 0.00 0.00 72.50 69.42 2qee s THR 143 CO 0.41 -0.25 0.02 0.20 -0.69 0.00 0.00 174.62 174.31 2qee s ASN 144 N 1.45 4.78 -0.38 3.53 -0.87 0.06 -4.95 114.94 118.56 2qee s ASN 144 Ca -0.01 -0.66 -0.04 0.00 -1.57 0.00 0.00 52.86 50.57 2qee s ASN 144 Cb -0.20 -1.80 0.08 0.00 -0.02 0.00 0.00 41.25 39.30 2qee s ASN 144 CO 0.00 -0.13 0.15 -0.62 -2.57 0.00 0.00 177.10 173.93 2qee s ASP 145 N 1.46 5.26 0.00 -1.22 2.15 -1.26 -1.09 116.67 121.97 2qee s ASP 145 Ca 0.03 -1.62 0.22 0.00 0.43 0.00 0.00 52.55 51.61 2qee s ASP 145 Cb -0.16 -1.84 1.23 0.00 -0.30 0.00 0.00 42.92 41.85 2qee s ASP 145 CO -0.00 -0.45 1.70 -0.81 -0.17 0.00 0.00 175.17 175.44 2qee n PRO 146 N 4.70 0.54 0.00 4.34 -0.04 -1.26 -1.21 135.00 142.07 2qee n PRO 146 Ca -0.08 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.53 2qee n PRO 146 Cb 0.43 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.60 2qee n PRO 146 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2qee n PHE 147 N -1.11 0.00 -3.18 0.54 3.72 -1.26 -4.71 117.46 111.45 2qee n PHE 147 Ca 0.14 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.13 2qee n PHE 147 Cb 0.11 -0.12 -0.07 0.00 -0.94 0.00 0.00 39.48 38.46 2qee n PHE 147 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2qee s ASP 148 N -2.71 6.37 0.20 4.37 2.15 -0.35 -4.95 116.67 121.76 2qee s ASP 148 Ca 0.17 0.07 -0.12 0.00 0.43 0.00 0.00 52.55 53.11 2qee s ASP 148 Cb 0.18 -2.30 0.25 0.00 -0.30 0.00 0.00 42.92 40.76 2qee s ASP 148 CO 0.63 -0.53 1.67 0.44 -0.17 0.00 0.00 175.17 177.22 2qee h ASP 149 N 8.44 -0.23 0.16 -0.34 3.32 -1.86 0.75 116.42 126.66 2qee h ASP 149 Ca -0.27 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2qee h ASP 149 Cb 1.12 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.91 2qee h ASP 149 CO 0.80 -0.09 -0.08 -1.13 -1.72 0.00 0.00 179.24 177.02 2qee h ASN 150 N 0.13 -0.18 -0.48 6.45 -0.73 -1.95 -2.48 115.58 116.34 2qee h ASN 150 Ca 0.29 -0.02 0.05 0.00 1.87 0.00 0.00 56.30 58.49 2qee h ASN 150 Cb 0.46 0.05 -0.05 0.00 0.27 0.00 0.00 38.32 39.05 2qee h ASN 150 CO -0.48 -0.10 0.21 -0.33 -0.37 0.00 0.00 177.43 176.36 2qee h GLU 151 N -0.25 0.41 0.00 6.67 5.08 -1.58 -2.64 114.58 122.27 2qee h GLU 151 Ca -0.02 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2qee h GLU 151 Cb 0.19 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2qee h GLU 151 CO 0.04 0.27 -0.19 0.07 -1.00 0.00 0.00 179.01 178.19 2qee h ARG 152 N 0.42 0.00 -0.44 2.33 0.11 -0.71 -2.71 114.38 113.37 2qee h ARG 152 Ca 0.22 0.00 0.09 0.00 0.10 0.00 0.00 59.98 60.39 2qee h ARG 152 Cb 0.17 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.16 2qee h ARG 152 CO -0.18 0.19 -0.14 0.82 0.10 0.00 0.00 179.97 180.76 2qee h ILE 153 N 0.00 0.50 -0.72 0.08 2.04 -1.06 0.59 117.51 118.95 2qee h ILE 153 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2qee h ILE 153 Cb 0.69 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2qee h ILE 153 CO 0.03 0.00 0.37 0.28 0.00 0.00 0.00 178.15 178.82 2qee h SER 154 N -0.04 0.92 -0.44 1.72 0.02 -1.55 0.26 113.55 114.44 2qee h SER 154 Ca 0.21 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2qee h SER 154 Cb 0.37 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2qee h SER 154 CO -0.48 0.78 0.19 -0.50 -1.14 0.00 0.00 176.83 175.68 2qee h TRP 155 N 1.00 0.65 -0.26 3.45 4.06 -1.37 -1.61 115.95 121.88 2qee h TRP 155 Ca 0.25 -0.04 -0.07 0.00 2.06 0.00 0.00 58.89 61.09 2qee h TRP 155 Cb 0.08 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.03 2qee h TRP 155 CO 0.00 0.55 -0.15 -0.07 -3.56 0.00 0.00 178.44 175.21 2qee h LEU 156 N 0.57 0.42 0.00 -4.49 3.38 -0.29 -1.41 115.31 113.49 2qee h LEU 156 Ca 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2qee h LEU 156 Cb 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2qee h LEU 156 CO -0.02 0.60 0.00 -0.62 0.09 0.00 0.00 178.44 178.50 2qee n GLU 157 N -4.20 0.64 -1.11 1.13 1.02 0.86 -4.90 120.64 114.08 2qee n GLU 157 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 2qee n GLU 157 Cb 0.33 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 2qee n GLU 157 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qee n GLY 158 N 0.28 0.68 3.73 0.62 0.00 -0.53 -5.00 105.19 104.97 2qee n GLY 158 Ca 0.14 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2qee n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qee s LYS 159 N -2.05 4.22 -0.13 1.61 1.02 -0.63 -5.00 119.74 118.77 2qee s LYS 159 Ca 0.00 2.38 -0.05 0.00 0.02 0.00 0.00 55.97 58.32 2qee s LYS 159 Cb 0.00 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 2qee s LYS 159 CO 0.00 -0.55 0.05 -0.65 -0.92 0.00 0.00 175.35 173.28 2qee s GLN 160 N 0.44 3.45 0.61 1.68 -1.52 -1.26 -4.73 119.66 118.32 2qee s GLN 160 Ca 0.66 -0.32 -0.18 0.00 -1.95 0.00 0.00 55.36 53.57 2qee s GLN 160 Cb -0.44 -3.03 -0.03 0.00 -0.22 0.00 0.00 33.01 29.29 2qee s GLN 160 CO 0.37 0.56 1.18 -1.25 -0.25 0.00 0.00 175.29 175.91 2qee s PRO 161 N -0.46 2.93 0.35 2.91 0.04 -1.26 -4.98 135.00 134.53 2qee s PRO 161 Ca 0.10 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 62.64 2qee s PRO 161 Cb -0.12 -1.93 -0.16 0.00 0.04 0.00 0.00 34.50 32.33 2qee s PRO 161 CO 0.02 -1.22 0.22 -3.47 0.04 0.00 0.00 177.00 172.59 2qee n ASP 162 N -1.76 -2.37 0.14 6.66 -0.08 -1.26 -4.84 116.55 113.04 2qee n ASP 162 Ca 0.13 0.89 0.12 0.00 -1.51 0.00 0.00 54.79 54.43 2qee n ASP 162 Cb 0.50 -0.91 0.49 0.00 2.34 0.00 0.00 41.12 43.54 2qee n ASP 162 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2qee h SER 163 N 0.52 0.00 0.77 1.67 4.64 -2.00 -0.92 113.55 118.22 2qee h SER 163 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2qee h SER 163 Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 2qee h SER 163 CO 0.50 0.00 -0.01 0.54 -0.87 0.00 0.00 176.83 176.98 2qee n ARG 164 N -2.30 0.22 -5.15 4.77 1.74 -1.26 -4.65 116.66 110.03 2qee n ARG 164 Ca 0.02 -0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.78 2qee n ARG 164 Cb 0.26 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.03 2qee n ARG 164 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2qee s PHE 165 N -2.79 2.56 0.04 -1.55 0.08 -0.35 -0.11 117.98 115.87 2qee s PHE 165 Ca 0.21 -0.80 0.08 0.00 0.12 0.00 0.00 56.93 56.54 2qee s PHE 165 Cb 0.20 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.94 2qee s PHE 165 CO 0.50 -0.27 -0.24 -1.01 -0.10 0.00 0.00 175.22 174.10 2qee s HIS 166 N 0.08 2.11 0.31 0.36 3.76 0.11 -4.74 115.29 117.28 2qee s HIS 166 Ca -0.10 -0.40 -0.16 0.00 -0.15 0.00 0.00 55.06 54.25 2qee s HIS 166 Cb -0.16 -1.27 -0.09 0.00 1.11 0.00 0.00 32.58 32.18 2qee s HIS 166 CO 0.06 0.11 0.75 0.00 -0.85 0.00 0.00 174.74 174.80 2qee s ALA 167 N -0.79 3.32 -0.01 -1.40 0.00 -1.26 -0.31 121.76 121.31 2qee s ALA 167 Ca 0.10 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2qee s ALA 167 Cb -0.09 -2.80 0.02 0.00 0.00 0.00 0.00 23.12 20.24 2qee s ALA 167 CO 0.02 0.32 0.01 0.00 0.00 0.00 0.00 175.76 176.11 2qee s ALA 168 N -1.90 0.11 -0.41 0.00 0.00 -1.20 -1.07 121.76 117.29 2qee s ALA 168 Ca 0.52 0.14 -0.24 0.00 0.00 0.00 0.00 51.96 52.38 2qee s ALA 168 Cb -0.11 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.87 2qee s ALA 168 CO 0.18 -0.05 0.83 -1.17 0.00 0.00 0.00 175.76 175.55 2qee s LEU 169 N 0.59 4.13 -0.11 0.00 2.96 -0.50 -0.76 118.68 124.98 2qee s LEU 169 Ca -0.05 0.19 -0.25 0.00 -0.22 0.00 0.00 54.13 53.80 2qee s LEU 169 Cb -0.08 -3.06 -0.02 0.00 0.50 0.00 0.00 46.19 43.53 2qee s LEU 169 CO -0.02 -0.86 0.80 -0.60 -1.32 0.00 0.00 176.35 174.35 2qee s ARG 170 N 3.33 4.37 -0.01 1.98 3.52 -0.25 -0.54 118.95 131.36 2qee s ARG 170 Ca 0.33 1.01 0.03 0.00 -0.13 0.00 0.00 55.73 56.96 2qee s ARG 170 Cb -0.12 -3.52 0.07 0.00 -1.56 0.00 0.00 34.95 29.83 2qee s ARG 170 CO 0.21 -0.16 1.06 1.28 -0.81 0.00 0.00 175.30 176.88 2qee n LEU 171 N 4.56 2.20 -0.21 -0.88 4.77 -0.04 -4.47 117.00 122.94 2qee n LEU 171 Ca 0.02 -2.07 0.01 0.00 -0.03 0.00 0.00 56.01 53.95 2qee n LEU 171 Cb 0.50 -0.07 0.12 0.00 -2.33 0.00 0.00 43.42 41.64 2qee n LEU 171 CO 0.48 0.55 0.91 0.44 -1.33 0.00 0.00 177.39 178.45 2qee h ASP 172 N 0.38 -0.02 -0.63 -1.43 5.19 -1.94 -0.95 116.42 117.02 2qee h ASP 172 Ca 0.00 0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.53 2qee h ASP 172 Cb 0.58 0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.23 2qee h ASP 172 CO 0.00 -0.01 0.39 -0.65 -3.12 0.00 0.00 179.24 175.85 2qee h PRO 173 N 0.25 0.86 -0.21 3.56 0.11 -1.94 0.19 132.00 134.81 2qee h PRO 173 Ca 0.33 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.33 2qee h PRO 173 Cb 0.51 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 2qee h PRO 173 CO -0.43 0.60 -0.03 1.25 -0.21 0.00 0.00 178.00 179.17 2qee h LEU 174 N 0.87 0.40 0.17 2.35 5.85 -1.51 -2.29 115.31 121.15 2qee h LEU 174 Ca 0.23 -0.35 -0.34 0.00 0.84 0.00 0.00 57.88 58.26 2qee h LEU 174 Cb -0.04 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 40.89 2qee h LEU 174 CO -0.04 0.65 -1.70 -0.07 -0.34 0.00 0.00 178.44 176.94 2qee h LEU 175 N 0.14 0.57 0.00 2.25 4.07 -1.01 -3.28 115.31 118.04 2qee h LEU 175 Ca 0.06 -0.83 -0.15 0.00 0.08 0.00 0.00 57.88 57.03 2qee h LEU 175 Cb 0.47 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.99 2qee h LEU 175 CO 0.02 1.70 -1.96 0.59 -1.08 0.00 0.00 178.44 177.71 2qee n ASN 176 N -3.56 0.21 -2.46 -0.43 3.02 0.63 -3.84 115.26 108.84 2qee n ASN 176 Ca -0.23 0.09 -0.13 0.00 -0.03 0.00 0.00 54.58 54.28 2qee n ASN 176 Cb 1.07 1.24 0.03 0.00 -0.61 0.00 0.00 39.78 41.51 2qee n ASN 176 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qee n GLU 177 N -2.56 2.60 -0.37 3.52 1.02 -0.87 -4.92 120.64 119.06 2qee n GLU 177 Ca -0.14 -3.85 -0.02 0.00 -0.02 0.00 0.00 57.16 53.13 2qee n GLU 177 Cb 0.81 -1.91 0.12 0.00 -0.02 0.00 0.00 31.44 30.44 2qee n GLU 177 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2qee h TYR 178 N 2.47 1.22 -1.00 -0.32 3.20 -1.60 -0.30 116.97 120.64 2qee h TYR 178 Ca 0.11 0.03 0.21 0.00 3.14 0.00 0.00 58.73 62.22 2qee h TYR 178 Cb 1.34 -0.41 -0.11 0.00 1.54 0.00 0.00 36.73 39.09 2qee h TYR 178 CO 0.67 0.75 0.61 0.93 -1.64 0.00 0.00 178.16 179.48 2qee h GLU 179 N 1.30 0.65 0.16 1.82 4.39 -1.90 0.15 114.58 121.15 2qee h GLU 179 Ca 0.37 -0.04 -0.31 0.00 0.34 0.00 0.00 59.36 59.72 2qee h GLU 179 Cb -0.10 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.41 2qee h GLU 179 CO -0.09 0.43 -1.53 1.96 -1.16 0.00 0.00 179.01 178.62 2qee h GLN 180 N 0.67 0.33 0.00 2.33 7.50 -1.79 -3.38 115.11 120.78 2qee h GLN 180 Ca 0.60 -0.56 -0.09 0.00 0.50 0.00 0.00 58.65 59.10 2qee h GLN 180 Cb 1.05 0.21 -0.01 0.00 0.05 0.00 0.00 27.48 28.77 2qee h GLN 180 CO -0.39 1.27 -0.42 1.15 -1.50 0.00 0.00 178.83 178.93 2qee h THR 181 N -0.11 1.02 -0.42 -0.54 2.02 -0.25 -2.99 112.91 111.64 2qee h THR 181 Ca -0.31 -1.61 0.06 0.00 0.77 0.00 0.00 66.41 65.32 2qee h THR 181 Cb 1.92 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 70.25 2qee h THR 181 CO 0.13 0.41 0.29 0.07 0.37 0.00 0.00 175.52 176.79 2qee h LYS 182 N 0.00 0.29 -0.20 6.66 2.10 -0.90 -0.43 116.57 124.09 2qee h LYS 182 Ca -0.00 -0.02 -0.09 0.00 -2.00 0.00 0.00 60.65 58.54 2qee h LYS 182 Cb 0.91 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.16 2qee h LYS 182 CO 0.05 0.19 -0.27 0.45 -2.00 0.00 0.00 179.45 177.88 2qee h HIS 183 N 0.30 0.43 -0.05 0.07 3.86 -1.77 -1.00 115.15 116.98 2qee h HIS 183 Ca 0.19 -0.09 -0.23 0.00 -1.16 0.00 0.00 60.37 59.08 2qee h HIS 183 Cb 0.36 -0.11 0.01 0.00 1.06 0.00 0.00 27.41 28.74 2qee h HIS 183 CO -0.00 0.62 -0.89 0.00 0.86 0.00 0.00 177.93 178.52 2qee h ARG 184 N 0.34 0.58 -0.22 2.45 3.08 -1.42 -1.29 114.38 117.90 2qee h ARG 184 Ca 0.05 -0.56 0.01 0.00 0.07 0.00 0.00 59.98 59.55 2qee h ARG 184 Cb 0.65 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 2qee h ARG 184 CO 0.05 1.18 0.12 -0.07 -1.07 0.00 0.00 179.97 180.17 2qee h LEU 185 N 0.36 0.18 -0.30 3.04 3.38 -0.74 -0.52 115.31 120.72 2qee h LEU 185 Ca -0.08 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2qee h LEU 185 Cb 1.52 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 42.18 2qee h LEU 185 CO 0.17 0.14 -0.08 0.03 0.09 0.00 0.00 178.44 178.79 2qee h ARG 186 N 0.25 -0.00 -0.74 1.13 3.08 -1.12 0.68 114.38 117.66 2qee h ARG 186 Ca 0.09 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.30 2qee h ARG 186 Cb 0.01 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 2qee h ARG 186 CO -0.05 -0.00 0.50 -0.44 -1.07 0.00 0.00 179.97 178.91 2qee h ASP 187 N -0.00 0.28 -0.30 7.04 3.32 -0.63 0.35 116.42 126.47 2qee h ASP 187 Ca 0.14 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2qee h ASP 187 Cb 0.22 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2qee h ASP 187 CO -0.31 0.14 0.00 0.79 -1.72 0.00 0.00 179.24 178.14 2qee n TRP 188 N -4.44 0.40 -0.11 4.55 8.01 -0.26 -4.91 117.44 120.67 2qee n TRP 188 Ca 0.14 -0.20 0.00 0.00 -1.31 0.00 0.00 57.50 56.13 2qee n TRP 188 Cb 0.60 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.90 2qee n TRP 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2qee n GLY 189 N 1.20 0.80 3.55 6.99 0.00 0.11 -5.05 105.19 112.80 2qee n GLY 189 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2qee n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qee s TYR 190 N -2.08 3.21 -1.41 1.61 2.02 0.14 -4.95 117.35 115.88 2qee s TYR 190 Ca 0.00 0.02 -0.09 0.00 -0.37 0.00 0.00 57.07 56.63 2qee s TYR 190 Cb 0.00 -2.71 0.06 0.00 -0.40 0.00 0.00 41.96 38.92 2qee s TYR 190 CO 0.00 -0.44 2.39 1.63 -1.57 0.00 0.00 175.55 177.55 2qee n LYS 191 N 5.44 3.84 -2.62 -0.62 4.76 -1.26 -3.11 118.16 124.60 2qee n LYS 191 Ca -0.08 -3.01 -0.40 0.00 -2.87 0.00 0.00 58.31 51.95 2qee n LYS 191 Cb 0.49 -2.85 -0.05 0.00 -1.84 0.00 0.00 35.03 30.78 2qee n LYS 191 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2qee s VAL 192 N 0.79 3.82 0.23 -0.18 -7.23 -1.26 -4.49 120.40 112.09 2qee s VAL 192 Ca 0.53 1.80 0.05 0.00 -1.81 0.00 0.00 61.98 62.56 2qee s VAL 192 Cb 0.15 -4.15 -0.03 0.00 0.56 0.00 0.00 36.38 32.92 2qee s VAL 192 CO -0.06 0.42 0.34 0.20 -0.31 0.00 0.00 175.10 175.69 2qee s ASN 193 N -0.93 6.28 0.39 4.85 0.02 -1.26 -4.94 114.94 119.35 2qee s ASN 193 Ca 0.43 0.06 0.07 0.00 -1.02 0.00 0.00 52.86 52.41 2qee s ASN 193 Cb -0.29 -1.84 0.78 0.00 0.02 0.00 0.00 41.25 39.92 2qee s ASN 193 CO 0.36 -0.06 1.98 0.44 0.02 0.00 0.00 177.10 179.84 2qee h ASP 194 N 1.29 0.42 -3.77 -1.22 3.45 -2.02 -3.42 116.42 111.14 2qee h ASP 194 Ca -0.51 -0.04 -0.49 0.00 0.43 0.00 0.00 57.03 56.42 2qee h ASP 194 Cb 1.23 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 39.87 2qee h ASP 194 CO 0.62 0.41 0.19 -1.83 -1.57 0.00 0.00 179.24 177.06 2qee s GLU 195 N -5.17 4.23 -1.29 3.56 -1.05 -1.26 -4.96 118.70 112.76 2qee s GLU 195 Ca -0.07 0.94 -0.13 0.00 -0.15 0.00 0.00 54.97 55.56 2qee s GLU 195 Cb 0.16 -2.59 0.13 0.00 -0.44 0.00 0.00 34.13 31.40 2qee s GLU 195 CO 0.74 0.22 1.76 1.87 0.95 0.00 0.00 175.26 180.80 2qee n TRP 196 N 0.08 4.05 -3.76 4.83 -0.00 -1.26 -4.68 117.44 116.70 2qee n TRP 196 Ca 0.02 -3.02 -0.20 0.00 -0.00 0.00 0.00 57.50 54.30 2qee n TRP 196 Cb 0.52 -2.26 0.00 0.00 -0.00 0.00 0.00 31.31 29.57 2qee n TRP 196 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 2qee n ASN 197 N 5.69 2.33 0.10 5.87 0.23 -1.26 -4.95 115.26 123.27 2qee n ASN 197 Ca 0.43 -2.46 0.07 0.00 -0.53 0.00 0.00 54.58 52.08 2qee n ASN 197 Cb 0.41 -0.05 0.53 0.00 -2.08 0.00 0.00 39.78 38.59 2qee n ASN 197 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2qee h GLU 198 N 0.00 0.29 -0.56 -3.83 4.57 -2.00 -1.66 114.58 111.40 2qee h GLU 198 Ca -0.27 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 57.80 2qee h GLU 198 Cb 0.99 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 2qee h GLU 198 CO 0.42 0.19 -0.03 0.78 -1.18 0.00 0.00 179.01 179.19 2qee h GLY 199 N 0.30 1.08 0.89 1.92 0.00 -1.94 -0.63 103.07 104.70 2qee h GLY 199 Ca 0.10 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.59 2qee h GLY 199 CO -0.02 0.75 0.09 1.76 0.00 0.00 0.00 176.54 179.12 2qee h SER 200 N 0.88 0.35 -0.33 0.19 0.02 -1.56 -2.07 113.55 111.04 2qee h SER 200 Ca 0.15 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2qee h SER 200 Cb 0.58 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 2qee h SER 200 CO 0.03 0.43 0.16 0.40 -1.14 0.00 0.00 176.83 176.72 2qee h ILE 201 N 0.24 1.15 -0.13 3.27 2.04 -1.23 0.42 117.51 123.28 2qee h ILE 201 Ca 0.08 -0.42 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 2qee h ILE 201 Cb 0.20 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2qee h ILE 201 CO -0.00 0.16 -0.34 1.56 0.00 0.00 0.00 178.15 179.52 2qee h GLN 202 N 0.40 0.26 0.05 2.37 1.08 -1.06 -1.42 115.11 116.78 2qee h GLN 202 Ca 0.11 -0.11 -0.23 0.00 -1.45 0.00 0.00 58.65 56.98 2qee h GLN 202 Cb 0.10 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2qee h GLN 202 CO -0.02 0.58 -1.04 0.93 -0.95 0.00 0.00 178.83 178.34 2qee h GLU 203 N 0.23 0.17 -0.40 1.46 4.39 -1.05 -0.34 114.58 119.04 2qee h GLU 203 Ca 0.03 -0.24 -0.09 0.00 0.34 0.00 0.00 59.36 59.39 2qee h GLU 203 Cb 0.72 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 2qee h GLU 203 CO 0.05 1.06 -0.11 0.28 -1.16 0.00 0.00 179.01 179.14 2qee h VAL 204 N 0.07 1.28 -1.00 3.13 2.07 -0.69 -1.33 116.25 119.77 2qee h VAL 204 Ca -0.07 -1.20 0.05 0.00 0.82 0.00 0.00 66.70 66.30 2qee h VAL 204 Cb 1.74 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 32.67 2qee h VAL 204 CO 0.16 0.40 0.65 0.11 0.02 0.00 0.00 177.57 178.91 2qee h LYS 205 N 0.59 1.20 -0.63 1.57 1.57 -1.21 -1.84 116.57 117.83 2qee h LYS 205 Ca 0.10 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2qee h LYS 205 Cb 0.63 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 2qee h LYS 205 CO 0.04 0.79 0.20 -0.09 -0.57 0.00 0.00 179.45 179.82 2qee h ARG 206 N 1.24 0.97 -0.11 3.15 2.43 -0.73 0.02 114.38 121.35 2qee h ARG 206 Ca 0.41 -0.21 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 2qee h ARG 206 Cb 0.07 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 2qee h ARG 206 CO -0.14 0.85 -0.09 0.35 -1.51 0.00 0.00 179.97 179.43 2qee h PHE 207 N 0.90 -0.21 -0.43 2.20 3.57 -0.73 0.87 116.94 123.11 2qee h PHE 207 Ca 0.20 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.72 2qee h PHE 207 Cb 0.28 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2qee h PHE 207 CO 0.02 -0.13 0.28 -0.07 -2.23 0.00 0.00 178.31 176.17 2qee h LEU 208 N -0.10 0.47 -1.04 0.59 3.38 -1.11 -1.59 115.31 115.90 2qee h LEU 208 Ca 0.07 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2qee h LEU 208 Cb 0.20 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2qee h LEU 208 CO -0.17 0.34 0.16 0.74 0.09 0.00 0.00 178.44 179.60 2qee h THR 209 N 0.56 1.22 -0.34 0.22 2.02 -0.64 0.15 112.91 116.11 2qee h THR 209 Ca 0.16 -0.78 -0.06 0.00 0.77 0.00 0.00 66.41 66.50 2qee h THR 209 Cb -0.05 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2qee h THR 209 CO -0.04 0.29 -0.03 0.44 0.37 0.00 0.00 175.52 176.55 2qee h ASP 210 N 0.82 0.61 0.60 4.18 3.32 -0.56 -0.55 116.42 124.84 2qee h ASP 210 Ca 0.18 -0.33 -0.15 0.00 0.02 0.00 0.00 57.03 56.75 2qee h ASP 210 Cb 0.26 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2qee h ASP 210 CO -0.01 0.80 -0.70 -0.50 -1.72 0.00 0.00 179.24 177.12 2qee h TRP 211 N 0.41 0.10 -0.42 4.55 4.06 -0.77 -1.60 115.95 122.28 2qee h TRP 211 Ca 0.09 -0.05 0.03 0.00 2.06 0.00 0.00 58.89 61.03 2qee h TRP 211 Cb 0.50 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 28.61 2qee h TRP 211 CO 0.04 0.75 0.21 0.82 -3.56 0.00 0.00 178.44 176.70 2qee h ILE 212 N 0.05 0.97 -0.68 1.49 2.04 -0.55 0.28 117.51 121.11 2qee h ILE 212 Ca -0.01 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2qee h ILE 212 Cb 1.23 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 2qee h ILE 212 CO 0.10 0.08 0.30 -0.08 0.00 0.00 0.00 178.15 178.54 2qee h GLU 213 N 0.42 0.99 -0.15 2.37 4.81 -0.90 -0.08 114.58 122.04 2qee h GLU 213 Ca 0.18 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2qee h GLU 213 Cb 0.09 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 2qee h GLU 213 CO -0.13 0.80 -0.20 -0.09 -0.73 0.00 0.00 179.01 178.67 2qee h ARG 214 N 0.95 0.40 0.00 1.92 2.43 -1.05 -3.36 114.38 115.66 2qee h ARG 214 Ca 0.23 -0.23 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 2qee h ARG 214 Cb 0.16 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 2qee h ARG 214 CO -0.02 0.80 -1.64 -1.33 -1.51 0.00 0.00 179.97 176.27 2qee n MET 215 N -4.49 0.64 -3.61 0.20 2.81 0.07 -5.01 117.12 107.72 2qee n MET 215 Ca -0.06 0.05 -0.26 0.00 -1.81 0.00 0.00 57.70 55.61 2qee n MET 215 Cb 0.40 -1.69 0.04 0.00 -0.71 0.00 0.00 33.22 31.27 2qee n MET 215 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2qee n ASP 216 N -2.65 -4.68 -4.81 7.83 2.03 -0.05 -4.59 116.55 109.64 2qee n ASP 216 Ca -0.10 -0.93 -0.34 0.00 0.52 0.00 0.00 54.79 53.95 2qee n ASP 216 Cb 0.75 -3.83 -0.05 0.00 -0.72 0.00 0.00 41.12 37.27 2qee n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2qee s PRO 217 N -5.69 3.97 0.37 -0.67 0.04 -1.26 -4.60 135.00 127.16 2qee s PRO 217 Ca 0.38 1.26 0.20 0.00 0.04 0.00 0.00 61.00 62.87 2qee s PRO 217 Cb -0.11 -2.13 0.40 0.00 0.04 0.00 0.00 34.50 32.69 2qee s PRO 217 CO 0.83 -0.27 1.60 -0.39 0.04 0.00 0.00 177.00 178.81 2qee h VAL 218 N 1.68 0.55 -3.08 -0.36 -1.51 -1.44 -3.47 116.25 108.61 2qee h VAL 218 Ca -0.49 -1.58 -0.01 0.00 -1.23 0.00 0.00 66.70 63.38 2qee h VAL 218 Cb 1.20 2.12 -0.11 0.00 -2.13 0.00 0.00 31.29 32.38 2qee h VAL 218 CO 0.60 0.29 0.16 -0.72 -1.23 0.00 0.00 177.57 176.66 2qee s TYR 219 N -3.22 -0.39 -0.13 5.19 -0.85 -1.26 -4.33 117.35 112.35 2qee s TYR 219 Ca 0.04 0.12 -0.05 0.00 -0.52 0.00 0.00 57.07 56.66 2qee s TYR 219 Cb 0.08 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.91 2qee s TYR 219 CO 0.69 -0.90 0.04 -1.64 -1.52 0.00 0.00 175.55 172.22 2qee s MET 220 N -3.80 3.43 0.10 -3.49 -1.94 -0.68 -1.40 119.30 111.52 2qee s MET 220 Ca 0.04 -0.35 0.08 0.00 -1.71 0.00 0.00 55.69 53.75 2qee s MET 220 Cb -0.01 -3.00 -0.03 0.00 2.01 0.00 0.00 34.83 33.79 2qee s MET 220 CO -0.08 0.55 -0.20 0.00 -0.01 0.00 0.00 175.02 175.27 2qee s ALA 221 N -0.43 1.76 -0.01 3.03 0.00 0.30 0.20 121.76 126.61 2qee s ALA 221 Ca 0.09 -1.23 -0.10 0.00 0.00 0.00 0.00 51.96 50.72 2qee s ALA 221 Cb -0.12 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.78 2qee s ALA 221 CO 0.02 0.35 0.21 0.54 0.00 0.00 0.00 175.76 176.88 2qee s VAL 222 N -1.17 0.07 -0.08 0.00 0.11 0.13 -0.86 120.40 118.60 2qee s VAL 222 Ca 0.06 -0.56 -0.04 0.00 -2.93 0.00 0.00 61.98 58.50 2qee s VAL 222 Cb -0.10 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2qee s VAL 222 CO 0.04 -0.31 0.12 -0.94 -3.33 0.00 0.00 175.10 170.68 2qee s SER 223 N -1.26 6.09 0.06 3.54 1.04 -1.26 -0.80 113.70 121.11 2qee s SER 223 Ca -0.13 0.35 0.04 0.00 0.48 0.00 0.00 55.95 56.68 2qee s SER 223 Cb -0.06 -1.90 -0.03 0.00 0.10 0.00 0.00 66.02 64.13 2qee s SER 223 CO 0.02 0.36 -0.11 -0.76 0.98 0.00 0.00 173.24 173.74 2qee s LEU 224 N -1.27 2.28 0.78 2.42 1.43 0.62 -4.92 118.68 120.01 2qee s LEU 224 Ca 0.18 -0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 2qee s LEU 224 Cb -0.12 -0.33 0.06 0.00 0.03 0.00 0.00 46.19 45.83 2qee s LEU 224 CO 0.08 -0.15 1.15 -2.16 0.23 0.00 0.00 176.35 175.49 2qee s PRO 225 N -1.76 2.25 0.64 1.29 0.04 -1.25 -0.18 135.00 136.02 2qee s PRO 225 Ca -0.05 0.25 0.39 0.00 0.04 0.00 0.00 61.00 61.63 2qee s PRO 225 Cb -0.09 -1.97 2.18 0.00 0.04 0.00 0.00 34.50 34.66 2qee s PRO 225 CO 0.01 -1.43 2.32 -1.35 0.04 0.00 0.00 177.00 176.60 2qee h PRO 226 N -0.94 0.00 -0.12 0.56 0.11 -1.77 -1.40 132.00 128.45 2qee h PRO 226 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2qee h PRO 226 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2qee h PRO 226 CO 0.65 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.69 2qee n THR 227 N -3.38 0.15 -1.64 -1.15 -2.24 -1.26 -4.08 114.28 100.68 2qee n THR 227 Ca -0.03 -0.27 -0.53 0.00 -2.27 0.00 0.00 64.05 60.95 2qee n THR 227 Cb 0.08 0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.50 2qee n THR 227 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2qee n PHE 228 N 0.09 1.78 -4.13 4.78 7.35 -0.53 -4.99 117.46 121.81 2qee n PHE 228 Ca 0.16 0.55 -0.15 0.00 -0.76 0.00 0.00 57.45 57.25 2qee n PHE 228 Cb 0.28 -2.40 -0.11 0.00 0.35 0.00 0.00 39.48 37.59 2qee n PHE 228 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2qee s SER 229 N 1.68 1.27 -0.25 -2.13 0.01 -1.26 -4.69 113.70 108.33 2qee s SER 229 Ca 0.89 -0.64 -0.19 0.00 1.31 0.00 0.00 55.95 57.32 2qee s SER 229 Cb -0.96 0.00 0.07 0.00 0.21 0.00 0.00 66.02 65.34 2qee s SER 229 CO 0.53 -0.18 0.63 0.12 0.41 0.00 0.00 173.24 174.75 2qee s PHE 230 N -1.62 -0.80 0.85 2.43 2.19 -1.26 -4.41 117.98 115.35 2qee s PHE 230 Ca -0.03 1.81 -0.12 0.00 0.33 0.00 0.00 56.93 58.91 2qee s PHE 230 Cb -0.08 0.36 0.11 0.00 -1.31 0.00 0.00 43.02 42.10 2qee s PHE 230 CO 0.01 -0.40 1.19 -2.14 1.83 0.00 0.00 175.22 175.71 2qee s PRO 231 N 0.82 1.40 -0.17 10.12 0.02 -1.26 -4.25 135.00 141.69 2qee s PRO 231 Ca -0.04 1.68 -0.13 0.00 0.02 0.00 0.00 61.00 62.53 2qee s PRO 231 Cb -0.05 -1.76 0.05 0.00 0.02 0.00 0.00 34.50 32.76 2qee s PRO 231 CO -0.07 -2.38 0.44 -2.00 -0.33 0.00 0.00 177.00 172.67 2qee s GLU 232 N -4.33 0.48 -1.30 5.54 2.12 -1.26 -5.06 118.70 114.89 2qee s GLU 232 Ca 0.71 0.69 -0.16 0.00 0.36 0.00 0.00 54.97 56.57 2qee s GLU 232 Cb -0.27 0.16 0.10 0.00 0.26 0.00 0.00 34.13 34.38 2qee s GLU 232 CO 0.53 -0.10 1.74 0.39 -0.54 0.00 0.00 175.26 177.29 2qee n GLU 233 N 3.35 3.22 -4.15 4.30 -0.58 -1.26 -3.87 120.64 121.65 2qee n GLU 233 Ca -0.17 -3.35 -0.13 0.00 -0.42 0.00 0.00 57.16 53.10 2qee n GLU 233 Cb 0.56 -3.33 -0.08 0.00 -0.57 0.00 0.00 31.44 28.03 2qee n GLU 233 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2qee s SER 234 N 3.54 0.37 0.24 1.62 1.04 -1.26 -5.00 113.70 114.24 2qee s SER 234 Ca 0.49 -1.34 -0.06 0.00 0.48 0.00 0.00 55.95 55.52 2qee s SER 234 Cb 0.04 0.48 0.30 0.00 0.10 0.00 0.00 66.02 66.94 2qee s SER 234 CO 0.03 -0.98 1.85 0.78 0.98 0.00 0.00 173.24 175.90 2qee h ASN 235 N 2.42 0.83 -0.16 7.02 2.35 -1.91 -1.00 115.58 125.13 2qee h ASN 235 Ca -0.32 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.41 2qee h ASN 235 Cb 1.25 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 2qee h ASN 235 CO 0.45 0.55 -0.02 -0.09 -1.65 0.00 0.00 177.43 176.67 2qee h ARG 236 N 0.97 0.30 -0.55 0.81 2.43 -1.92 -0.81 114.38 115.61 2qee h ARG 236 Ca 0.36 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2qee h ARG 236 Cb 0.13 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 2qee h ARG 236 CO -0.16 0.55 0.24 0.78 -1.51 0.00 0.00 179.97 179.88 2qee h GLY 237 N 0.02 0.84 0.92 2.80 0.00 -1.63 -1.58 103.07 104.43 2qee h GLY 237 Ca 0.04 -0.40 -0.18 0.00 0.00 0.00 0.00 47.33 46.80 2qee h GLY 237 CO 0.01 0.38 -0.67 3.21 0.00 0.00 0.00 176.54 179.48 2qee h ARG 238 N 0.78 0.53 -0.54 4.80 3.08 -0.99 -1.28 114.38 120.76 2qee h ARG 238 Ca 0.19 -0.51 -0.06 0.00 0.07 0.00 0.00 59.98 59.67 2qee h ARG 238 Cb 0.12 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2qee h ARG 238 CO -0.02 1.14 0.09 0.82 -1.07 0.00 0.00 179.97 180.93 2qee h ILE 239 N 0.11 1.25 0.10 2.04 2.04 -1.03 0.71 117.51 122.73 2qee h ILE 239 Ca -0.07 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 2qee h ILE 239 Cb 1.34 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2qee h ILE 239 CO 0.13 0.34 -0.05 0.40 0.00 0.00 0.00 178.15 178.98 2qee h ILE 240 N 0.78 1.00 0.13 -0.67 2.04 -1.31 0.54 117.51 120.02 2qee h ILE 240 Ca 0.17 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2qee h ILE 240 Cb 0.40 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2qee h ILE 240 CO 0.01 0.09 -0.12 -0.09 0.00 0.00 0.00 178.15 178.05 2qee h ARG 241 N -0.31 -0.25 0.00 2.37 2.43 -1.10 -1.81 114.38 115.71 2qee h ARG 241 Ca -0.01 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qee h ARG 241 Cb 0.26 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2qee h ARG 241 CO 0.02 -0.17 -1.11 -0.25 -1.51 0.00 0.00 179.97 176.95 2qee n ASP 242 N -5.24 0.75 0.04 -3.80 8.00 0.23 -4.47 116.55 112.06 2qee n ASP 242 Ca -0.08 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.71 2qee n ASP 242 Cb 0.16 0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.88 2qee n ASP 242 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qee h LEU 244 N 0.00 -0.04 -0.24 0.00 6.46 -0.89 -2.61 115.31 117.98 2qee h LEU 244 Ca 0.00 -0.58 0.01 0.00 -0.12 0.00 0.00 57.88 57.18 2qee h LEU 244 Cb 0.39 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 2qee h LEU 244 CO 0.00 0.59 0.14 -0.07 -0.62 0.00 0.00 178.44 178.48 2qee h LEU 245 N -0.71 0.23 -0.36 2.25 3.38 -1.56 0.06 115.31 118.59 2qee h LEU 245 Ca -0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2qee h LEU 245 Cb 0.62 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2qee h LEU 245 CO 0.01 0.17 0.19 -0.65 0.09 0.00 0.00 178.44 178.25 2qee h PRO 246 N 0.29 0.38 -0.59 1.13 0.11 -1.78 0.02 132.00 131.56 2qee h PRO 246 Ca 0.09 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2qee h PRO 246 Cb -0.01 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 30.99 2qee h PRO 246 CO -0.04 0.25 0.37 0.28 -0.21 0.00 0.00 178.00 178.65 2qee h VAL 247 N 0.39 1.17 -0.57 3.15 2.07 -1.22 0.17 116.25 121.41 2qee h VAL 247 Ca 0.15 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 2qee h VAL 247 Cb 0.04 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2qee h VAL 247 CO -0.09 0.17 0.06 0.00 0.02 0.00 0.00 177.57 177.73 2qee h ALA 248 N 1.19 1.03 0.04 1.67 0.00 -0.63 -1.30 119.26 121.26 2qee h ALA 248 Ca 0.21 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qee h ALA 248 Cb -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2qee h ALA 248 CO -0.04 0.61 -0.02 1.49 0.00 0.00 0.00 179.25 181.29 2qee h GLU 249 N 0.88 -0.05 -0.63 0.00 4.81 -0.71 0.25 114.58 119.14 2qee h GLU 249 Ca 0.18 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.53 2qee h GLU 249 Cb 0.43 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.73 2qee h GLU 249 CO 0.01 0.32 0.14 -0.22 -0.73 0.00 0.00 179.01 178.54 2qee h LYS 250 N -0.42 0.26 -0.02 1.92 3.64 -0.76 -1.76 116.57 119.45 2qee h LYS 250 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2qee h LYS 250 Cb 0.39 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2qee h LYS 250 CO 0.01 0.17 -0.03 0.72 -2.27 0.00 0.00 179.45 178.05 2qee n HIS 251 N -5.13 0.00 -3.76 1.91 8.25 -0.51 -4.96 115.22 111.02 2qee n HIS 251 Ca 0.10 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.32 2qee n HIS 251 Cb 0.35 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.47 2qee n HIS 251 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2qee n ASN 252 N 0.19 -1.70 -4.35 0.41 4.05 0.69 -4.99 115.26 109.57 2qee n ASN 252 Ca 0.18 -0.90 -0.33 0.00 0.45 0.00 0.00 54.58 53.97 2qee n ASN 252 Cb 0.38 -3.69 -0.14 0.00 1.23 0.00 0.00 39.78 37.55 2qee n ASN 252 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2qee s ILE 253 N -3.72 3.01 0.82 -1.44 1.01 -0.05 -4.91 121.20 115.92 2qee s ILE 253 Ca 0.09 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 2qee s ILE 253 Cb -0.03 -2.27 0.09 0.00 0.01 0.00 0.00 42.46 40.26 2qee s ILE 253 CO 0.84 0.52 1.13 -2.84 0.00 0.00 0.00 174.94 174.58 2qee s PRO 254 N 0.50 1.77 -0.25 2.79 0.02 -1.26 -4.63 135.00 133.95 2qee s PRO 254 Ca -0.09 1.41 -0.06 0.00 0.02 0.00 0.00 61.00 62.28 2qee s PRO 254 Cb -0.16 -1.82 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 2qee s PRO 254 CO 0.04 -2.05 0.03 0.12 -0.33 0.00 0.00 177.00 174.81 2qee s PHE 255 N -2.66 3.05 -0.26 6.54 5.36 -0.16 -1.68 117.98 128.17 2qee s PHE 255 Ca 0.65 -0.71 -0.14 0.00 -0.96 0.00 0.00 56.93 55.77 2qee s PHE 255 Cb -0.21 -2.19 -0.04 0.00 -0.34 0.00 0.00 43.02 40.24 2qee s PHE 255 CO 0.55 -0.47 0.35 0.00 -1.46 0.00 0.00 175.22 174.19 2qee s ALA 256 N 1.54 3.56 -0.19 11.12 0.00 0.13 -1.03 121.76 136.90 2qee s ALA 256 Ca 0.06 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.19 2qee s ALA 256 Cb -0.15 -2.66 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 2qee s ALA 256 CO 0.01 -0.56 -0.07 -1.64 0.00 0.00 0.00 175.76 173.50 2qee s MET 257 N 1.86 3.41 -0.35 0.00 1.00 0.47 -0.70 119.30 124.99 2qee s MET 257 Ca 0.15 -0.63 -0.01 0.00 0.00 0.00 0.00 55.69 55.19 2qee s MET 257 Cb -0.15 -2.90 0.08 0.00 0.00 0.00 0.00 34.83 31.86 2qee s MET 257 CO 0.09 -0.04 0.10 -1.64 0.00 0.00 0.00 175.02 173.53 2qee s MET 258 N 1.06 2.09 -0.13 2.03 -1.94 0.02 -2.26 119.30 120.17 2qee s MET 258 Ca 0.01 -1.61 -0.02 0.00 -1.71 0.00 0.00 55.69 52.36 2qee s MET 258 Cb -0.15 -3.36 -0.02 0.00 2.01 0.00 0.00 34.83 33.31 2qee s MET 258 CO -0.01 -0.87 -0.08 0.42 -0.01 0.00 0.00 175.02 174.48 2qee s ILE 259 N 1.14 3.55 0.00 2.53 1.01 -0.40 -0.27 121.20 128.76 2qee s ILE 259 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.19 2qee s ILE 259 Cb -0.21 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.74 2qee s ILE 259 CO -0.04 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.04 2qee n GLY 260 N 3.31 0.73 3.71 6.18 0.00 0.75 -0.62 105.19 119.25 2qee n GLY 260 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 2qee n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qee s VAL 261 N -1.43 5.17 -0.41 1.61 0.11 -0.89 -1.56 120.40 123.00 2qee s VAL 261 Ca 0.00 0.98 -0.11 0.00 -2.93 0.00 0.00 61.98 59.92 2qee s VAL 261 Cb 0.00 -3.83 0.06 0.00 -1.53 0.00 0.00 36.38 31.07 2qee s VAL 261 CO 0.00 0.29 0.27 -0.75 -3.33 0.00 0.00 175.10 171.58 2qee s LYS 262 N 0.82 2.76 0.28 1.54 2.20 0.28 -3.89 119.74 123.72 2qee s LYS 262 Ca 0.26 -1.30 -0.29 0.00 -0.36 0.00 0.00 55.97 54.28 2qee s LYS 262 Cb -0.15 -3.84 -0.10 0.00 -1.51 0.00 0.00 37.83 32.23 2qee s LYS 262 CO 0.11 -0.88 1.10 0.15 -0.36 0.00 0.00 175.35 175.46 2qee s LYS 263 N 1.52 4.64 -1.36 4.03 -0.14 -1.26 -0.41 119.74 126.76 2qee s LYS 263 Ca 0.03 1.80 -0.07 0.00 -1.36 0.00 0.00 55.97 56.37 2qee s LYS 263 Cb -0.22 -3.19 0.02 0.00 -1.68 0.00 0.00 37.83 32.76 2qee s LYS 263 CO 0.05 0.21 1.07 0.54 -0.76 0.00 0.00 175.35 176.46 2qee n ARG 264 N 1.23 -6.99 0.23 1.68 1.74 -1.19 -4.87 116.66 108.48 2qee n ARG 264 Ca -0.01 0.77 0.09 0.00 -0.77 0.00 0.00 57.85 57.93 2qee n ARG 264 Cb 0.45 -5.75 0.57 0.00 -1.02 0.00 0.00 32.46 26.71 2qee n ARG 264 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 2qee h VAL 265 N -2.36 0.75 -2.85 1.55 -1.51 -1.11 -3.32 116.25 107.39 2qee h VAL 265 Ca -0.58 -0.85 -0.61 0.00 -1.23 0.00 0.00 66.70 63.43 2qee h VAL 265 Cb 1.36 1.52 -0.40 0.00 -2.13 0.00 0.00 31.29 31.64 2qee h VAL 265 CO 0.57 0.20 -0.74 -2.28 -1.23 0.00 0.00 177.57 174.10 2qee s HIS 266 N -4.08 2.44 0.29 5.19 5.65 -0.94 -5.03 115.29 118.81 2qee s HIS 266 Ca -0.02 -2.82 0.02 0.00 0.25 0.00 0.00 55.06 52.49 2qee s HIS 266 Cb 0.13 -1.98 0.59 0.00 -1.18 0.00 0.00 32.58 30.14 2qee s HIS 266 CO 0.63 -0.69 1.84 -1.35 -0.65 0.00 0.00 174.74 174.52 2qee h PRO 267 N 5.81 0.93 0.00 2.88 0.11 -1.84 -1.51 132.00 138.38 2qee h PRO 267 Ca 0.14 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2qee h PRO 267 Cb 0.84 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2qee h PRO 267 CO 0.56 0.61 0.00 0.00 -0.21 0.00 0.00 178.00 178.96 2qee h ALA 268 N 1.55 1.00 -0.00 -0.75 0.00 -1.95 -0.74 119.26 118.36 2qee h ALA 268 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2qee h ALA 268 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2qee h ALA 268 CO -0.26 0.00 -0.01 1.28 0.00 0.00 0.00 179.25 180.26 2qee n LEU 269 N -2.73 0.03 0.00 0.00 4.77 -0.57 -4.99 117.00 113.51 2qee n LEU 269 Ca -0.00 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2qee n LEU 269 Cb 0.19 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2qee n LEU 269 CO 0.21 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 2qee n GLY 270 N 1.38 3.66 0.34 -0.72 0.00 -0.29 -1.58 105.19 107.98 2qee n GLY 270 Ca 0.11 -0.08 0.18 0.00 0.00 0.00 0.00 46.02 46.22 2qee n GLY 270 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qee h ASP 271 N 0.00 0.00 -0.09 1.61 3.32 -1.94 0.11 116.42 119.43 2qee h ASP 271 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qee h ASP 271 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qee h ASP 271 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2qee n ALA 272 N -2.27 2.55 -0.40 3.45 0.00 -0.62 -4.30 120.51 118.92 2qee n ALA 272 Ca 0.01 -0.29 0.10 0.00 0.00 0.00 0.00 53.44 53.26 2qee n ALA 272 Cb 0.30 -1.16 0.30 0.00 0.00 0.00 0.00 19.45 18.89 2qee n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qee n GLY 273 N 0.90 2.63 3.88 0.00 0.00 0.39 -4.83 105.19 108.17 2qee n GLY 273 Ca 0.13 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 2qee n GLY 273 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qee s ASP 274 N -1.00 6.54 0.01 1.61 1.01 -1.26 -0.75 116.67 122.82 2qee s ASP 274 Ca 0.45 0.65 0.00 0.00 0.71 0.00 0.00 52.55 54.36 2qee s ASP 274 Cb 0.25 -2.12 -0.00 0.00 1.01 0.00 0.00 42.92 42.06 2qee s ASP 274 CO 0.28 0.13 0.00 0.33 0.21 0.00 0.00 175.17 176.13 2qee n PHE 275 N 0.57 0.01 -4.11 4.23 7.35 0.45 -4.93 117.46 121.03 2qee n PHE 275 Ca -0.06 -0.03 -0.15 0.00 -0.76 0.00 0.00 57.45 56.45 2qee n PHE 275 Cb 0.52 -0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.23 2qee n PHE 275 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2qee s VAL 276 N -1.04 0.76 0.06 -2.13 0.11 -1.26 -0.56 120.40 116.33 2qee s VAL 276 Ca 0.00 -1.23 -0.11 0.00 -2.93 0.00 0.00 61.98 57.71 2qee s VAL 276 Cb 0.00 -0.86 0.01 0.00 -1.53 0.00 0.00 36.38 34.00 2qee s VAL 276 CO 0.00 -0.37 0.24 -0.83 -3.33 0.00 0.00 175.10 170.81 2qee s GLY 277 N -1.77 -0.02 0.27 6.54 0.00 -0.60 -4.82 107.32 106.92 2qee s GLY 277 Ca -0.05 -0.24 -0.29 0.00 0.00 0.00 0.00 44.72 44.13 2qee s GLY 277 CO 0.01 -0.44 1.26 1.25 0.00 0.00 0.00 173.10 175.18 2qee s LYS 278 N -2.89 4.44 0.21 2.90 2.20 -1.26 -4.46 119.74 120.88 2qee s LYS 278 Ca -0.03 2.05 0.07 0.00 -0.36 0.00 0.00 55.97 57.71 2qee s LYS 278 Cb 0.00 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 2qee s LYS 278 CO -0.06 -0.12 0.08 0.00 -0.36 0.00 0.00 175.35 174.90 2qee s ALA 279 N -0.66 3.38 0.44 3.13 0.00 -1.26 -4.78 121.76 122.01 2qee s ALA 279 Ca 0.51 -1.39 -0.24 0.00 0.00 0.00 0.00 51.96 50.83 2qee s ALA 279 Cb -0.37 -1.12 -0.08 0.00 0.00 0.00 0.00 23.12 21.55 2qee s ALA 279 CO 0.44 0.39 1.21 0.45 0.00 0.00 0.00 175.76 178.25 2qee s SER 280 N -3.34 6.23 0.00 0.00 0.15 -1.26 -4.95 113.70 110.54 2qee s SER 280 Ca 0.30 2.43 0.28 0.00 0.70 0.00 0.00 55.95 59.65 2qee s SER 280 Cb -0.09 -2.62 0.99 0.00 -1.71 0.00 0.00 66.02 62.60 2qee s SER 280 CO 0.22 -0.88 1.72 0.23 1.20 0.00 0.00 173.24 175.72 2qee n MET 281 N -0.24 0.48 -0.33 5.44 2.81 -1.26 -4.40 117.12 119.63 2qee n MET 281 Ca 0.06 -0.20 0.01 0.00 -1.81 0.00 0.00 57.70 55.75 2qee n MET 281 Cb 0.46 -1.50 0.15 0.00 -0.71 0.00 0.00 33.22 31.62 2qee n MET 281 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2qee h ASP 282 N 0.50 0.92 -0.46 7.83 3.32 -1.93 0.16 116.42 126.75 2qee h ASP 282 Ca 0.00 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 2qee h ASP 282 Cb 0.43 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 2qee h ASP 282 CO 0.00 0.59 -0.07 1.23 -1.72 0.00 0.00 179.24 179.27 2qee h GLY 283 N 1.06 0.94 1.02 2.75 0.00 -1.77 -0.75 103.07 106.33 2qee h GLY 283 Ca 0.39 -0.75 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 2qee h GLY 283 CO -0.16 0.68 -0.17 -2.08 0.00 0.00 0.00 176.54 174.81 2qee h VAL 284 N 0.71 1.28 -0.51 4.60 2.07 -1.69 -1.45 116.25 121.26 2qee h VAL 284 Ca 0.12 -1.31 0.05 0.00 0.82 0.00 0.00 66.70 66.38 2qee h VAL 284 Cb 0.60 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 2qee h VAL 284 CO 0.04 0.44 0.25 -0.08 0.02 0.00 0.00 177.57 178.24 2qee h GLU 285 N 0.66 0.48 -0.14 1.57 4.81 -0.58 -0.90 114.58 120.49 2qee h GLU 285 Ca 0.09 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2qee h GLU 285 Cb 0.73 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2qee h GLU 285 CO 0.06 0.32 0.04 1.25 -0.73 0.00 0.00 179.01 179.94 2qee h HIS 286 N 0.49 0.22 -0.31 0.92 2.76 -1.01 -1.71 115.15 116.51 2qee h HIS 286 Ca 0.23 -0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.41 2qee h HIS 286 Cb 0.14 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.00 2qee h HIS 286 CO -0.11 0.36 0.06 -0.07 -1.30 0.00 0.00 177.93 176.87 2qee h LEU 287 N 0.02 0.00 -0.58 0.26 3.38 -1.00 0.38 115.31 117.77 2qee h LEU 287 Ca 0.04 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2qee h LEU 287 Cb 0.25 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2qee h LEU 287 CO 0.00 0.04 0.31 -0.07 0.09 0.00 0.00 178.44 178.81 2qee h LEU 288 N 0.17 0.73 -0.05 1.67 3.38 -0.98 -1.77 115.31 118.46 2qee h LEU 288 Ca 0.14 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2qee h LEU 288 Cb 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2qee h LEU 288 CO -0.19 0.62 -0.13 -0.09 0.09 0.00 0.00 178.44 178.73 2qee h ARG 289 N 0.78 0.17 0.00 1.13 2.43 -1.13 -3.34 114.38 114.43 2qee h ARG 289 Ca 0.20 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2qee h ARG 289 Cb 0.06 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2qee h ARG 289 CO -0.03 0.74 -0.36 0.93 -1.51 0.00 0.00 179.97 179.74 2qee h GLU 290 N -0.36 0.00 -2.20 0.20 4.39 -0.94 -3.35 114.58 112.32 2qee h GLU 290 Ca -0.00 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.11 2qee h GLU 290 Cb 0.75 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.98 2qee h GLU 290 CO 0.03 0.00 -0.68 0.66 -1.16 0.00 0.00 179.01 177.86 2qee n TYR 291 N -2.21 3.29 0.37 4.33 4.01 -0.67 -4.94 117.16 121.34 2qee n TYR 291 Ca 0.04 -4.04 0.12 0.00 -0.16 0.00 0.00 57.90 53.87 2qee n TYR 291 Cb 0.44 -0.51 0.52 0.00 -0.31 0.00 0.00 39.34 39.48 2qee n TYR 291 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2qee h PRO 292 N 3.69 0.00 -0.27 -0.72 0.13 -1.71 -0.78 132.00 132.34 2qee h PRO 292 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2qee h PRO 292 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2qee h PRO 292 CO 0.78 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.64 2qee n ASN 293 N -2.33 2.80 -4.85 1.44 5.03 -1.26 -4.87 115.26 111.22 2qee n ASN 293 Ca 0.02 -1.89 -0.28 0.00 0.87 0.00 0.00 54.58 53.29 2qee n ASN 293 Cb 0.22 -0.17 -0.05 0.00 -1.02 0.00 0.00 39.78 38.76 2qee n ASN 293 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 2qee s ASN 294 N -1.59 5.87 -0.02 6.41 -0.87 -0.30 -4.76 114.94 119.68 2qee s ASN 294 Ca 0.35 0.05 0.04 0.00 -1.57 0.00 0.00 52.86 51.73 2qee s ASN 294 Cb 0.21 -1.66 -0.03 0.00 -0.02 0.00 0.00 41.25 39.75 2qee s ASN 294 CO 0.30 0.11 -0.12 -0.54 -2.57 0.00 0.00 177.10 174.28 2qee s LYS 295 N -2.84 2.46 -0.06 -0.60 1.02 -1.26 -4.85 119.74 113.61 2qee s LYS 295 Ca 0.32 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.58 2qee s LYS 295 Cb -0.11 -2.40 0.02 0.00 -0.52 0.00 0.00 37.83 34.81 2qee s LYS 295 CO 0.25 0.61 -0.06 -0.06 -0.92 0.00 0.00 175.35 175.16 2qee s PHE 296 N -0.86 0.99 -0.20 3.18 0.08 0.03 -0.99 117.98 120.21 2qee s PHE 296 Ca 0.14 -0.34 -0.11 0.00 0.12 0.00 0.00 56.93 56.75 2qee s PHE 296 Cb -0.11 -0.83 -0.05 0.00 -0.57 0.00 0.00 43.02 41.46 2qee s PHE 296 CO 0.04 -0.26 0.16 -0.51 -0.10 0.00 0.00 175.22 174.55 2qee s LEU 297 N 1.02 4.19 -0.02 -0.37 1.43 -0.20 -0.93 118.68 123.81 2qee s LEU 297 Ca -0.09 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 2qee s LEU 297 Cb -0.14 -2.13 -0.00 0.00 0.03 0.00 0.00 46.19 43.94 2qee s LEU 297 CO -0.00 0.14 -0.08 -0.69 0.23 0.00 0.00 176.35 175.95 2qee s VAL 298 N 0.53 0.68 0.02 -1.59 1.01 -0.46 -0.40 120.40 120.20 2qee s VAL 298 Ca 0.09 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.76 2qee s VAL 298 Cb -0.12 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 2qee s VAL 298 CO 0.00 0.21 -0.07 0.28 0.00 0.00 0.00 175.10 175.51 2qee s THR 299 N 0.02 0.55 0.14 3.92 -1.32 -0.96 -1.86 115.64 116.14 2qee s THR 299 Ca -0.00 -0.70 0.08 0.00 -1.21 0.00 0.00 61.69 59.85 2qee s THR 299 Cb -0.06 -0.54 -0.04 0.00 -1.51 0.00 0.00 72.50 70.35 2qee s THR 299 CO -0.00 -0.13 -0.17 -0.04 -2.21 0.00 0.00 174.62 172.07 2qee s MET 300 N -0.91 1.16 -0.06 7.08 -1.94 -1.26 -1.28 119.30 122.10 2qee s MET 300 Ca -0.04 -1.31 0.16 0.00 -1.71 0.00 0.00 55.69 52.80 2qee s MET 300 Cb -0.06 -1.20 -0.22 0.00 2.01 0.00 0.00 34.83 35.36 2qee s MET 300 CO 0.00 0.25 0.50 -0.11 -0.01 0.00 0.00 175.02 175.65 2qee n LEU 301 N 0.51 0.50 -4.74 -0.03 7.94 0.21 -4.62 117.00 116.78 2qee n LEU 301 Ca -0.15 0.23 -0.41 0.00 -1.11 0.00 0.00 56.01 54.57 2qee n LEU 301 Cb 0.56 0.23 -0.05 0.00 0.53 0.00 0.00 43.42 44.70 2qee n LEU 301 CO 0.27 0.32 0.69 -0.55 -1.11 0.00 0.00 177.39 177.01 2qee s SER 302 N -5.65 7.50 0.34 1.96 0.15 -1.26 -4.48 113.70 112.26 2qee s SER 302 Ca -0.06 1.95 0.05 0.00 0.70 0.00 0.00 55.95 58.59 2qee s SER 302 Cb 0.08 -2.60 0.69 0.00 -1.71 0.00 0.00 66.02 62.48 2qee s SER 302 CO 0.83 -0.01 1.94 -0.09 1.20 0.00 0.00 173.24 177.11 2qee h ARG 303 N 4.76 0.80 0.00 5.44 2.43 -1.95 -2.17 114.38 123.69 2qee h ARG 303 Ca -0.44 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2qee h ARG 303 Cb 1.21 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2qee h ARG 303 CO 0.70 0.53 0.00 0.39 -1.51 0.00 0.00 179.97 180.08 2qee n GLU 304 N -4.49 0.32 0.02 0.20 4.71 -1.26 -2.25 120.64 117.88 2qee n GLU 304 Ca 0.12 0.05 0.11 0.00 -0.01 0.00 0.00 57.16 57.43 2qee n GLU 304 Cb 0.24 -1.50 0.07 0.00 -1.01 0.00 0.00 31.44 29.24 2qee n GLU 304 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2qee n ASN 305 N -1.32 0.64 -0.06 1.62 5.03 -0.82 -4.70 115.26 115.66 2qee n ASN 305 Ca 0.11 -0.27 -0.12 0.00 0.87 0.00 0.00 54.58 55.17 2qee n ASN 305 Cb 0.22 0.63 -0.06 0.00 -1.02 0.00 0.00 39.78 39.55 2qee n ASN 305 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2qee h GLN 306 N 0.00 0.37 -0.26 3.52 1.08 -1.54 -1.43 115.11 116.85 2qee h GLN 306 Ca 0.00 -0.16 -0.03 0.00 -1.45 0.00 0.00 58.65 57.02 2qee h GLN 306 Cb 0.65 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 2qee h GLN 306 CO 0.00 0.66 0.07 1.25 -0.95 0.00 0.00 178.83 179.86 2qee h HIS 307 N 0.06 0.44 0.00 2.96 2.76 -1.84 -1.79 115.15 117.74 2qee h HIS 307 Ca 0.04 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.09 2qee h HIS 307 Cb 0.54 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 2qee h HIS 307 CO 0.06 0.50 -0.35 1.05 -1.30 0.00 0.00 177.93 177.89 2qee h GLU 308 N 0.25 0.00 -0.70 5.26 4.11 -1.84 -1.23 114.58 120.44 2qee h GLU 308 Ca 0.08 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.51 2qee h GLU 308 Cb 0.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2qee h GLU 308 CO 0.00 0.35 0.42 1.25 0.07 0.00 0.00 179.01 181.10 2qee h LEU 309 N 0.00 0.84 -0.57 3.06 5.85 -0.97 -1.08 115.31 122.44 2qee h LEU 309 Ca -0.00 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2qee h LEU 309 Cb 0.73 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2qee h LEU 309 CO 0.05 0.66 0.33 0.58 -0.34 0.00 0.00 178.44 179.71 2qee h VAL 310 N 0.95 1.18 -0.87 1.05 2.07 -0.39 -1.61 116.25 118.62 2qee h VAL 310 Ca 0.25 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2qee h VAL 310 Cb -0.03 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 2qee h VAL 310 CO -0.05 0.19 0.55 0.58 0.02 0.00 0.00 177.57 178.86 2qee h VAL 311 N 0.77 1.23 -0.40 2.57 2.07 -1.08 -1.74 116.25 119.67 2qee h VAL 311 Ca 0.20 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 2qee h VAL 311 Cb 0.01 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 2qee h VAL 311 CO -0.04 0.24 -0.05 0.25 0.02 0.00 0.00 177.57 177.99 2qee h LEU 312 N 1.19 0.65 -1.26 2.57 5.85 -0.62 -1.01 115.31 122.69 2qee h LEU 312 Ca 0.32 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2qee h LEU 312 Cb -0.09 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 2qee h LEU 312 CO -0.06 0.75 0.11 0.00 -0.34 0.00 0.00 178.44 178.89 2qee h ALA 313 N 1.32 1.41 -0.12 1.25 0.00 -0.45 -0.83 119.26 121.85 2qee h ALA 313 Ca 0.12 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2qee h ALA 313 Cb 0.47 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2qee h ALA 313 CO 0.02 0.43 0.08 0.00 0.00 0.00 0.00 179.25 179.78 2qee h ARG 314 N 0.60 0.10 0.04 0.00 3.08 -0.59 -3.10 114.38 114.51 2qee h ARG 314 Ca 0.14 -0.01 -0.25 0.00 0.07 0.00 0.00 59.98 59.93 2qee h ARG 314 Cb 0.22 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2qee h ARG 314 CO -0.00 0.07 -1.26 0.87 -1.07 0.00 0.00 179.97 178.57 2qee h LYS 315 N 0.10 0.08 -3.86 0.04 1.79 -0.94 -3.46 116.57 110.32 2qee h LYS 315 Ca 0.05 -0.14 -0.52 0.00 -2.18 0.00 0.00 60.65 57.85 2qee h LYS 315 Cb 0.06 0.05 -0.39 0.00 -1.58 0.00 0.00 32.23 30.38 2qee h LYS 315 CO -0.01 0.96 -0.78 -0.06 -1.08 0.00 0.00 179.45 178.48 2qee s PHE 316 N -2.66 1.32 -0.71 -1.35 0.08 -0.98 -5.00 117.98 108.67 2qee s PHE 316 Ca -0.03 -0.88 0.24 0.00 0.12 0.00 0.00 56.93 56.38 2qee s PHE 316 Cb 0.09 -1.14 0.91 0.00 -0.57 0.00 0.00 43.02 42.31 2qee s PHE 316 CO 0.84 -0.57 1.72 -1.13 -0.10 0.00 0.00 175.22 175.98 2qee n SER 317 N 4.97 0.53 -0.20 1.36 3.41 -1.26 -2.26 113.62 120.17 2qee n SER 317 Ca -0.10 0.59 0.08 0.00 -0.26 0.00 0.00 58.87 59.18 2qee n SER 317 Cb 0.48 -0.72 0.41 0.00 -0.26 0.00 0.00 64.21 64.12 2qee n SER 317 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2qee n ASN 318 N -2.04 0.59 -4.59 4.04 6.94 -1.26 -4.73 115.26 114.20 2qee n ASN 318 Ca 0.04 -1.61 -0.36 0.00 -0.02 0.00 0.00 54.58 52.63 2qee n ASN 318 Cb 0.30 -0.04 -0.10 0.00 -2.36 0.00 0.00 39.78 37.57 2qee n ASN 318 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2qee s LEU 319 N -1.47 3.84 -0.19 -4.53 2.96 -0.96 -0.79 118.68 117.54 2qee s LEU 319 Ca 0.25 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.17 2qee s LEU 319 Cb 0.12 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.81 2qee s LEU 319 CO 0.20 0.06 -0.15 -0.32 -1.32 0.00 0.00 176.35 174.83 2qee s MET 320 N 1.05 3.12 0.17 1.98 -2.45 -0.11 -4.94 119.30 118.12 2qee s MET 320 Ca 0.06 -0.76 -0.08 0.00 -1.25 0.00 0.00 55.69 53.65 2qee s MET 320 Cb -0.14 -2.72 -0.06 0.00 1.25 0.00 0.00 34.83 33.16 2qee s MET 320 CO 0.04 -0.21 0.46 0.96 1.05 0.00 0.00 175.02 177.33 2qee s ILE 321 N 1.35 5.04 -0.04 10.11 -4.36 -1.26 -1.35 121.20 130.69 2qee s ILE 321 Ca 0.05 0.34 -0.02 0.00 -0.26 0.00 0.00 60.65 60.76 2qee s ILE 321 Cb -0.13 -3.63 0.02 0.00 1.25 0.00 0.00 42.46 39.96 2qee s ILE 321 CO -0.10 0.05 0.09 0.72 0.24 0.00 0.00 174.94 175.95 2qee s PHE 322 N -1.66 -0.09 0.12 1.37 -0.12 -0.77 -2.07 117.98 114.76 2qee s PHE 322 Ca 0.42 0.27 0.00 0.00 -0.05 0.00 0.00 56.93 57.57 2qee s PHE 322 Cb -0.12 -0.04 0.00 0.00 -0.63 0.00 0.00 43.02 42.23 2qee s PHE 322 CO 0.22 -0.08 0.00 0.41 -0.05 0.00 0.00 175.22 175.72 2qee n GLY 323 N 3.51 -2.36 2.96 1.99 0.00 -0.08 -4.38 105.19 106.83 2qee n GLY 323 Ca -0.18 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 2qee n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qee s TRP 325 N 0.53 3.40 0.00 0.00 -0.00 -1.26 -3.45 118.94 118.16 2qee s TRP 325 Ca 0.13 1.09 0.00 0.00 -0.00 0.00 0.00 56.10 57.33 2qee s TRP 325 Cb -0.21 -2.90 0.00 0.00 -0.00 0.00 0.00 33.47 30.36 2qee s TRP 325 CO -0.06 -0.19 0.00 1.87 -0.00 0.00 0.00 176.95 178.57 2qee n TRP 326 N 5.08 0.00 0.46 5.86 -0.00 -1.26 -0.52 117.44 127.07 2qee n TRP 326 Ca 0.01 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.61 2qee n TRP 326 Cb 0.49 0.00 0.41 0.00 -0.00 0.00 0.00 31.31 32.22 2qee n TRP 326 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 2qee n PHE 327 N 0.00 0.44 1.20 5.87 3.72 -1.26 -1.22 117.46 126.21 2qee n PHE 327 Ca 0.00 0.17 0.13 0.00 -0.05 0.00 0.00 57.45 57.70 2qee n PHE 327 Cb 0.00 -0.77 0.48 0.00 -0.94 0.00 0.00 39.48 38.25 2qee n PHE 327 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 2qee n MET 328 N -1.90 0.41 -1.50 -1.08 2.81 0.33 -4.57 117.12 111.62 2qee n MET 328 Ca 0.03 -0.17 -0.27 0.00 -1.81 0.00 0.00 57.70 55.48 2qee n MET 328 Cb 0.21 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.16 2qee n MET 328 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2qee n ASN 329 N -1.15 6.54 -4.04 7.83 5.15 -0.36 -3.52 115.26 125.72 2qee n ASN 329 Ca 0.10 -3.13 -0.20 0.00 -0.60 0.00 0.00 54.58 50.76 2qee n ASN 329 Cb 0.31 -1.27 -0.15 0.00 -0.53 0.00 0.00 39.78 38.15 2qee n ASN 329 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2qee s ASN 330 N 0.53 1.26 0.32 1.20 0.01 -1.26 -4.95 114.94 112.04 2qee s ASN 330 Ca 0.59 -0.19 0.07 0.00 -0.71 0.00 0.00 52.86 52.62 2qee s ASN 330 Cb 0.36 -0.18 0.92 0.00 0.41 0.00 0.00 41.25 42.76 2qee s ASN 330 CO -0.19 0.12 1.60 -0.65 -1.51 0.00 0.00 177.10 176.47 2qee h PRO 331 N 5.97 0.07 -0.49 -0.60 0.11 -1.97 0.25 132.00 135.33 2qee h PRO 331 Ca -0.32 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.73 2qee h PRO 331 Cb 1.17 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2qee h PRO 331 CO 0.49 0.04 0.09 1.49 -0.21 0.00 0.00 178.00 179.90 2qee h GLU 332 N 0.07 0.77 0.10 1.05 4.57 -1.97 -1.31 114.58 117.85 2qee h GLU 332 Ca 0.66 -0.16 -0.24 0.00 -1.18 0.00 0.00 59.36 58.44 2qee h GLU 332 Cb 1.49 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.97 2qee h GLU 332 CO -0.80 0.72 -1.22 0.82 -1.18 0.00 0.00 179.01 177.35 2qee h ILE 333 N 0.73 1.14 -0.75 2.32 1.08 -1.18 -2.89 117.51 117.97 2qee h ILE 333 Ca 0.16 -2.39 0.13 0.00 -0.39 0.00 0.00 64.86 62.37 2qee h ILE 333 Cb 0.32 2.78 -0.09 0.00 -3.07 0.00 0.00 36.82 36.76 2qee h ILE 333 CO 0.00 0.66 0.31 0.40 -0.69 0.00 0.00 178.15 178.84 2qee h ILE 334 N -0.43 0.69 0.24 -0.67 2.04 -0.57 0.19 117.51 119.00 2qee h ILE 334 Ca -0.26 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2qee h ILE 334 Cb 1.65 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2qee h ILE 334 CO 0.04 0.09 -0.12 -1.13 0.00 0.00 0.00 178.15 177.03 2qee h ASN 335 N 0.47 -0.28 -0.80 1.72 -1.24 -1.32 0.09 115.58 114.23 2qee h ASN 335 Ca 0.41 -0.07 -0.04 0.00 0.71 0.00 0.00 56.30 57.30 2qee h ASN 335 Cb 0.59 0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.67 2qee h ASN 335 CO -0.38 -0.11 0.33 1.05 -1.29 0.00 0.00 177.43 177.03 2qee h GLU 336 N -0.43 1.19 -0.43 6.67 4.11 -1.26 -1.24 114.58 123.19 2qee h GLU 336 Ca -0.03 -0.21 -0.07 0.00 0.07 0.00 0.00 59.36 59.12 2qee h GLU 336 Cb 0.33 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2qee h GLU 336 CO 0.06 0.95 -0.00 0.52 0.07 0.00 0.00 179.01 180.61 2qee h MET 337 N 1.16 0.76 -0.70 1.06 2.86 -0.85 -1.40 114.93 117.82 2qee h MET 337 Ca 0.27 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 2qee h MET 337 Cb 0.20 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 2qee h MET 337 CO -0.02 0.83 0.20 1.15 1.06 0.00 0.00 176.91 180.13 2qee h THR 338 N 0.60 1.26 -0.31 2.22 2.02 -0.84 -0.64 112.91 117.22 2qee h THR 338 Ca 0.12 -0.93 -0.04 0.00 0.77 0.00 0.00 66.41 66.34 2qee h THR 338 Cb 0.49 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 2qee h THR 338 CO 0.02 0.36 0.05 0.03 0.37 0.00 0.00 175.52 176.35 2qee h ARG 339 N 1.05 0.52 -0.46 6.66 3.08 -1.04 -0.56 114.38 123.63 2qee h ARG 339 Ca 0.22 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2qee h ARG 339 Cb 0.33 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2qee h ARG 339 CO -0.00 0.61 0.23 0.52 -1.07 0.00 0.00 179.97 180.26 2qee h MET 340 N 0.35 0.65 -0.32 0.04 2.86 -1.04 -0.44 114.93 117.03 2qee h MET 340 Ca 0.10 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qee h MET 340 Cb 0.34 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 2qee h MET 340 CO 0.01 0.55 0.18 0.00 1.06 0.00 0.00 176.91 178.71 2qee h ARG 341 N 0.60 0.44 -0.08 1.72 3.08 -1.02 -2.38 114.38 116.74 2qee h ARG 341 Ca 0.16 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.99 2qee h ARG 341 Cb 0.10 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2qee h ARG 341 CO -0.02 0.35 -0.68 1.98 -1.07 0.00 0.00 179.97 180.54 2qee h MET 342 N 0.40 0.36 -0.95 0.04 4.05 -0.88 0.30 114.93 118.25 2qee h MET 342 Ca 0.11 -0.27 0.04 0.00 -0.28 0.00 0.00 59.70 59.30 2qee h MET 342 Cb 0.03 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 30.83 2qee h MET 342 CO -0.02 0.90 0.62 0.93 0.23 0.00 0.00 176.91 179.58 2qee h GLU 343 N 0.25 1.14 0.00 0.39 5.08 -0.95 -0.49 114.58 120.01 2qee h GLU 343 Ca -0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2qee h GLU 343 Cb 1.23 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2qee h GLU 343 CO 0.11 0.76 -1.17 -1.33 -1.00 0.00 0.00 179.01 176.38 2qee n MET 344 N -4.45 0.92 0.00 2.33 2.81 -0.91 -4.58 117.12 113.24 2qee n MET 344 Ca 0.13 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 2qee n MET 344 Cb 0.12 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 2qee n MET 344 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2qee n LEU 345 N -1.66 0.84 0.00 4.03 4.77 0.10 -4.87 117.00 120.22 2qee n LEU 345 Ca 0.01 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 2qee n LEU 345 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2qee n LEU 345 CO 0.37 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2qee n GLY 346 N -0.08 4.00 1.06 -0.72 0.00 -0.20 -1.39 105.19 107.87 2qee n GLY 346 Ca 0.00 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.25 2qee n GLY 346 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qee n THR 347 N 0.00 1.89 -1.31 2.61 -2.24 -1.26 -4.40 114.28 109.58 2qee n THR 347 Ca 0.00 -1.46 -0.23 0.00 -2.27 0.00 0.00 64.05 60.09 2qee n THR 347 Cb 0.00 0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.20 2qee n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2qee n SER 348 N 0.21 6.29 -3.64 3.42 3.41 -0.48 -4.71 113.62 118.12 2qee n SER 348 Ca 0.20 -3.07 -0.11 0.00 -0.26 0.00 0.00 58.87 55.63 2qee n SER 348 Cb 0.80 -1.23 -0.04 0.00 -0.26 0.00 0.00 64.21 63.48 2qee n SER 348 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2qee s PHE 349 N -1.33 0.55 -0.38 7.33 -0.12 -1.26 -4.82 117.98 117.94 2qee s PHE 349 Ca 0.54 -0.91 -0.03 0.00 -0.05 0.00 0.00 56.93 56.48 2qee s PHE 349 Cb 0.35 0.18 0.09 0.00 -0.63 0.00 0.00 43.02 43.01 2qee s PHE 349 CO -0.15 -1.11 0.16 0.42 -0.05 0.00 0.00 175.22 174.49 2qee s ILE 350 N -3.52 3.28 0.43 -4.49 1.01 -0.88 -4.67 121.20 112.36 2qee s ILE 350 Ca 0.24 -1.85 0.11 0.00 0.00 0.00 0.00 60.65 59.15 2qee s ILE 350 Cb -0.01 -3.15 0.22 0.00 0.01 0.00 0.00 42.46 39.53 2qee s ILE 350 CO 0.13 -0.54 2.02 1.55 0.00 0.00 0.00 174.94 178.10 2qee h PRO 351 N 8.06 0.26 -3.01 2.79 0.13 -1.86 -0.17 132.00 138.19 2qee h PRO 351 Ca -0.15 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.87 2qee h PRO 351 Cb 1.05 -0.05 -0.16 0.00 0.13 0.00 0.00 31.00 31.97 2qee h PRO 351 CO 0.66 0.27 -0.09 -1.14 -0.23 0.00 0.00 178.00 177.48 2qee s GLN 352 N -5.02 0.94 0.08 0.86 2.00 -1.26 -3.36 119.66 113.89 2qee s GLN 352 Ca -0.06 -0.35 -0.01 0.00 -2.00 0.00 0.00 55.36 52.93 2qee s GLN 352 Cb 0.16 0.42 -0.04 0.00 0.80 0.00 0.00 33.01 34.35 2qee s GLN 352 CO 0.72 -0.32 0.01 -3.38 -0.50 0.00 0.00 175.29 171.81 2qee s HIS 353 N -2.50 0.63 -0.08 1.67 -3.43 -1.26 -4.66 115.29 105.66 2qee s HIS 353 Ca -0.05 -1.11 0.14 0.00 -0.80 0.00 0.00 55.06 53.24 2qee s HIS 353 Cb -0.01 -0.41 -0.24 0.00 -1.43 0.00 0.00 32.58 30.50 2qee s HIS 353 CO -0.02 -0.44 0.52 -1.13 -2.00 0.00 0.00 174.74 171.66 2qee n SER 354 N 0.03 0.68 -2.68 7.38 3.41 -1.25 -4.70 113.62 116.50 2qee n SER 354 Ca -0.11 0.31 -0.14 0.00 -0.26 0.00 0.00 58.87 58.68 2qee n SER 354 Cb 0.62 0.18 -0.00 0.00 -0.26 0.00 0.00 64.21 64.75 2qee n SER 354 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2qee n ASP 355 N -2.98 -3.54 -4.73 4.04 -0.08 -0.36 -4.86 116.55 104.04 2qee n ASP 355 Ca -0.21 0.08 -0.42 0.00 -1.51 0.00 0.00 54.79 52.74 2qee n ASP 355 Cb 1.08 -3.00 -0.03 0.00 2.34 0.00 0.00 41.12 41.51 2qee n ASP 355 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2qee s ALA 356 N -2.63 3.81 -0.15 -1.67 0.00 -1.26 -4.40 121.76 115.48 2qee s ALA 356 Ca 0.10 1.50 0.20 0.00 0.00 0.00 0.00 51.96 53.76 2qee s ALA 356 Cb -0.05 -3.65 -0.29 0.00 0.00 0.00 0.00 23.12 19.12 2qee s ALA 356 CO 0.12 -0.88 0.48 0.54 0.00 0.00 0.00 175.76 176.02 2qee n ARG 357 N 3.32 0.61 -4.86 0.00 1.74 -1.26 0.30 116.66 116.51 2qee n ARG 357 Ca 0.12 -0.16 -0.27 0.00 -0.77 0.00 0.00 57.85 56.78 2qee n ARG 357 Cb 0.37 -1.46 -0.16 0.00 -1.02 0.00 0.00 32.46 30.19 2qee n ARG 357 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qee s VAL 358 N -3.29 1.49 0.24 1.55 1.01 -1.26 -4.37 120.40 115.77 2qee s VAL 358 Ca -0.05 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 2qee s VAL 358 Cb 0.13 -1.30 0.31 0.00 0.00 0.00 0.00 36.38 35.52 2qee s VAL 358 CO 0.82 0.43 1.61 0.25 0.00 0.00 0.00 175.10 178.21 2qee h LEU 359 N 6.46 -0.60 -1.94 3.92 5.85 -0.83 -0.62 115.31 127.55 2qee h LEU 359 Ca -0.30 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2qee h LEU 359 Cb 1.19 0.44 0.00 0.00 0.37 0.00 0.00 40.66 42.66 2qee h LEU 359 CO 0.48 -0.24 0.00 -0.33 -0.34 0.00 0.00 178.44 178.01 2qee h GLU 360 N 0.03 0.00 0.00 1.25 3.07 -1.93 -2.47 114.58 114.52 2qee h GLU 360 Ca 0.39 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.24 2qee h GLU 360 Cb 0.64 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.55 2qee h GLU 360 CO -0.76 0.00 -0.06 1.96 -1.40 0.00 0.00 179.01 178.75 2qee h GLN 361 N 0.00 0.00 -1.01 2.33 4.20 -1.51 -1.29 115.11 117.84 2qee h GLN 361 Ca 0.00 0.00 0.24 0.00 0.06 0.00 0.00 58.65 58.95 2qee h GLN 361 Cb 0.28 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.96 2qee h GLN 361 CO 0.00 0.06 0.64 -0.07 -0.67 0.00 0.00 178.83 178.78 2qee h LEU 362 N 0.00 0.55 0.61 1.46 3.38 -1.61 0.51 115.31 120.20 2qee h LEU 362 Ca -0.00 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2qee h LEU 362 Cb 0.24 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.00 2qee h LEU 362 CO 0.01 0.14 -0.29 0.40 0.09 0.00 0.00 178.44 178.79 2qee h ILE 363 N 0.50 0.40 0.03 1.22 2.04 -1.47 -2.57 117.51 117.67 2qee h ILE 363 Ca 0.58 -0.02 -0.25 0.00 1.00 0.00 0.00 64.86 66.18 2qee h ILE 363 Cb 1.29 0.41 0.01 0.00 -0.74 0.00 0.00 36.82 37.79 2qee h ILE 363 CO -0.32 0.00 -1.03 0.10 0.00 0.00 0.00 178.15 176.90 2qee h TYR 364 N -0.82 0.71 -0.62 1.37 -0.00 -1.55 -0.70 116.97 115.35 2qee h TYR 364 Ca -0.08 -0.41 -0.00 0.00 0.00 0.00 0.00 58.73 58.23 2qee h TYR 364 Cb 0.63 -0.07 -0.03 0.00 0.00 0.00 0.00 36.73 37.26 2qee h TYR 364 CO -0.03 1.25 0.38 0.87 -0.00 0.00 0.00 178.16 180.62 2qee h LYS 365 N 0.24 0.84 0.10 0.10 1.79 -0.97 0.84 116.57 119.51 2qee h LYS 365 Ca -0.11 -0.07 -0.29 0.00 -2.18 0.00 0.00 60.65 58.00 2qee h LYS 365 Cb 1.69 -0.18 0.03 0.00 -1.58 0.00 0.00 32.23 32.19 2qee h LYS 365 CO 0.18 0.60 -1.20 -1.49 -1.08 0.00 0.00 179.45 176.47 2qee h TRP 366 N 0.84 1.01 -0.09 -1.35 4.06 -1.44 -2.75 115.95 116.23 2qee h TRP 366 Ca 0.22 -0.62 -0.00 0.00 2.06 0.00 0.00 58.89 60.55 2qee h TRP 366 Cb -0.03 -0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 28.04 2qee h TRP 366 CO -0.02 1.46 0.06 0.45 -3.56 0.00 0.00 178.44 176.83 2qee h HIS 367 N 0.28 0.12 -0.60 0.49 3.86 -0.96 0.19 115.15 118.53 2qee h HIS 367 Ca -0.18 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.94 2qee h HIS 367 Cb 1.87 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 30.28 2qee h HIS 367 CO 0.12 0.11 0.00 0.45 0.86 0.00 0.00 177.93 179.47 2qee h HIS 368 N 0.10 1.13 -0.21 2.45 3.86 -0.92 -2.66 115.15 118.90 2qee h HIS 368 Ca 0.03 -0.19 -0.17 0.00 -1.16 0.00 0.00 60.37 58.89 2qee h HIS 368 Cb 0.02 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.20 2qee h HIS 368 CO -0.06 1.00 -0.52 0.77 0.86 0.00 0.00 177.93 179.98 2qee h SER 369 N 0.95 0.82 -0.98 2.45 0.02 -1.45 -3.19 113.55 112.17 2qee h SER 369 Ca 0.17 -0.57 0.03 0.00 -0.84 0.00 0.00 61.79 60.58 2qee h SER 369 Cb 0.55 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.80 2qee h SER 369 CO 0.03 1.24 0.64 0.11 -1.14 0.00 0.00 176.83 177.71 2qee h LYS 370 N 0.44 1.23 -0.77 3.45 1.57 -0.53 0.18 116.57 122.14 2qee h LYS 370 Ca -0.00 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2qee h LYS 370 Cb 1.13 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 2qee h LYS 370 CO 0.11 0.81 0.33 0.66 -0.57 0.00 0.00 179.45 180.79 2qee h SER 371 N 1.27 1.04 -0.07 0.86 4.64 -1.51 0.17 113.55 119.95 2qee h SER 371 Ca 0.38 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.51 2qee h SER 371 Cb -0.05 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.77 2qee h SER 371 CO -0.11 0.92 -0.06 0.40 -0.87 0.00 0.00 176.83 177.11 2qee h ILE 372 N 1.10 1.36 -0.93 0.95 2.04 -1.43 -2.10 117.51 118.51 2qee h ILE 372 Ca 0.26 -1.20 0.03 0.00 1.00 0.00 0.00 64.86 64.95 2qee h ILE 372 Cb 0.19 2.00 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 2qee h ILE 372 CO -0.02 0.33 0.61 0.40 0.00 0.00 0.00 178.15 179.47 2qee h ILE 373 N -0.25 1.19 -0.70 -0.67 2.04 -0.82 -1.49 117.51 116.81 2qee h ILE 373 Ca 0.01 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 2qee h ILE 373 Cb 0.56 -0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 2qee h ILE 373 CO 0.02 0.22 0.30 0.00 0.00 0.00 0.00 178.15 178.69 2qee h ALA 374 N 1.44 0.90 -0.71 1.87 0.00 -0.57 -0.81 119.26 121.38 2qee h ALA 374 Ca 0.36 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2qee h ALA 374 Cb -0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2qee h ALA 374 CO -0.10 0.50 0.16 1.49 0.00 0.00 0.00 179.25 181.30 2qee h GLU 375 N 0.98 1.14 -0.24 0.00 4.57 -0.73 0.11 114.58 120.41 2qee h GLU 375 Ca 0.24 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2qee h GLU 375 Cb 0.17 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2qee h GLU 375 CO -0.02 1.01 0.11 0.28 -1.18 0.00 0.00 179.01 179.20 2qee h VAL 376 N 1.07 1.16 -0.69 0.32 2.07 -0.94 -1.84 116.25 117.39 2qee h VAL 376 Ca 0.22 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.31 2qee h VAL 376 Cb 0.38 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 2qee h VAL 376 CO 0.00 0.16 0.43 -0.07 0.02 0.00 0.00 177.57 178.11 2qee h LEU 377 N 0.25 0.70 -0.22 2.57 3.38 -0.71 -0.90 115.31 120.37 2qee h LEU 377 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2qee h LEU 377 Cb 0.15 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qee h LEU 377 CO -0.01 0.48 0.15 0.40 0.09 0.00 0.00 178.44 179.55 2qee h ILE 378 N 0.83 1.06 -0.39 1.22 2.04 -0.44 0.51 117.51 122.34 2qee h ILE 378 Ca 0.28 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 66.05 2qee h ILE 378 Cb 0.04 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2qee h ILE 378 CO -0.12 0.06 0.22 0.44 0.00 0.00 0.00 178.15 178.75 2qee h ASP 379 N 0.30 0.34 -0.48 1.72 3.32 -0.88 0.83 116.42 121.58 2qee h ASP 379 Ca 0.08 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 2qee h ASP 379 Cb -0.03 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2qee h ASP 379 CO -0.02 0.25 -0.07 0.11 -1.72 0.00 0.00 179.24 177.78 2qee h LYS 380 N 0.44 0.89 -0.51 3.56 6.56 -0.78 -1.28 116.57 125.45 2qee h LYS 380 Ca 0.16 -0.32 -0.10 0.00 -1.06 0.00 0.00 60.65 59.32 2qee h LYS 380 Cb 0.03 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.61 2qee h LYS 380 CO -0.09 0.97 -0.08 1.88 -2.06 0.00 0.00 179.45 180.07 2qee h TYR 381 N 0.74 1.02 -0.50 -1.35 0.05 -0.84 -3.03 116.97 113.07 2qee h TYR 381 Ca 0.13 -0.19 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 2qee h TYR 381 Cb 0.61 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 2qee h TYR 381 CO 0.05 0.96 0.27 0.22 -1.05 0.00 0.00 178.16 178.61 2qee h ASP 382 N 0.84 0.62 -0.87 3.88 3.58 -0.65 0.18 116.42 123.99 2qee h ASP 382 Ca 0.14 -0.09 0.12 0.00 0.42 0.00 0.00 57.03 57.62 2qee h ASP 382 Cb 0.61 -0.16 -0.08 0.00 1.72 0.00 0.00 39.33 41.42 2qee h ASP 382 CO 0.04 0.53 0.49 0.44 -2.88 0.00 0.00 179.24 177.87 2qee h ASP 383 N 0.66 0.67 0.71 2.28 3.32 -1.15 0.14 116.42 123.06 2qee h ASP 383 Ca 0.17 0.07 -0.23 0.00 0.02 0.00 0.00 57.03 57.06 2qee h ASP 383 Cb 0.05 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2qee h ASP 383 CO -0.03 0.34 -1.07 0.16 -1.72 0.00 0.00 179.24 176.93 2qee h ILE 384 N 0.77 1.56 -0.52 0.35 3.07 -1.35 -2.65 117.51 118.73 2qee h ILE 384 Ca 0.45 -3.02 0.02 0.00 1.55 0.00 0.00 64.86 63.86 2qee h ILE 384 Cb 0.51 2.77 -0.03 0.00 -0.27 0.00 0.00 36.82 39.80 2qee h ILE 384 CO -0.30 0.88 0.31 0.25 -1.05 0.00 0.00 178.15 178.24 2qee h LEU 385 N 0.07 0.51 -1.40 0.16 5.85 -0.08 -1.03 115.31 119.38 2qee h LEU 385 Ca -0.07 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 2qee h LEU 385 Cb 1.78 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.70 2qee h LEU 385 CO 0.16 0.36 -0.27 1.56 -0.34 0.00 0.00 178.44 179.91 2qee h GLN 386 N 0.62 0.00 -0.00 1.25 1.08 -0.72 -1.06 115.11 116.28 2qee h GLN 386 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2qee h GLN 386 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2qee h GLN 386 CO -0.09 0.27 0.00 0.00 -0.95 0.00 0.00 178.83 178.06 2qee n ALA 387 N -2.35 2.67 0.00 3.87 0.00 -0.79 -4.90 120.51 119.01 2qee n ALA 387 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2qee n ALA 387 Cb 0.37 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2qee n ALA 387 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qee n GLY 388 N 0.95 0.59 3.76 0.00 0.00 -0.40 -5.06 105.19 105.02 2qee n GLY 388 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 2qee n GLY 388 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2qee s TRP 389 N -2.00 3.64 -0.46 1.61 -0.11 -0.46 -4.99 118.94 116.18 2qee s TRP 389 Ca 0.00 1.74 -0.16 0.00 1.22 0.00 0.00 56.10 58.90 2qee s TRP 389 Cb 0.00 -3.23 0.05 0.00 -1.50 0.00 0.00 33.47 28.79 2qee s TRP 389 CO 0.00 -0.38 0.40 -1.83 -4.62 0.00 0.00 176.95 170.53 2qee s GLU 390 N -1.43 3.01 -0.12 5.86 4.04 -1.26 -4.24 118.70 124.56 2qee s GLU 390 Ca 0.44 -1.16 -0.26 0.00 0.04 0.00 0.00 54.97 54.03 2qee s GLU 390 Cb -0.31 -4.08 -0.02 0.00 0.02 0.00 0.00 34.13 29.75 2qee s GLU 390 CO 0.39 -0.97 0.87 0.54 -1.84 0.00 0.00 175.26 174.25 2qee s VAL 391 N 1.82 4.88 0.22 1.83 0.11 -1.26 -5.06 120.40 122.93 2qee s VAL 391 Ca 0.06 1.74 0.01 0.00 -2.93 0.00 0.00 61.98 60.87 2qee s VAL 391 Cb -0.22 -4.18 -0.04 0.00 -1.53 0.00 0.00 36.38 30.41 2qee s VAL 391 CO 0.09 0.07 0.39 0.42 -3.33 0.00 0.00 175.10 172.73 2qee s THR 392 N 1.80 5.23 0.33 5.04 -4.23 -1.26 -4.53 115.64 118.02 2qee s THR 392 Ca 0.42 -0.55 0.02 0.00 -1.18 0.00 0.00 61.69 60.39 2qee s THR 392 Cb -0.18 -3.77 0.23 0.00 1.34 0.00 0.00 72.50 70.11 2qee s THR 392 CO 0.16 -0.24 1.95 -0.08 -0.54 0.00 0.00 174.62 175.87 2qee h GLU 393 N 1.71 0.79 -0.81 3.99 4.81 -1.97 -1.24 114.58 121.86 2qee h GLU 393 Ca -0.49 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 58.62 2qee h GLU 393 Cb 1.20 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 2qee h GLU 393 CO 0.66 0.60 0.36 0.93 -0.73 0.00 0.00 179.01 180.83 2qee h GLU 394 N 0.80 1.19 -0.50 1.92 4.39 -1.99 0.21 114.58 120.61 2qee h GLU 394 Ca 0.20 -0.19 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 2qee h GLU 394 Cb 0.05 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 2qee h GLU 394 CO -0.03 0.94 -0.12 0.93 -1.16 0.00 0.00 179.01 179.57 2qee h GLU 395 N 1.17 0.96 -0.28 2.33 5.08 -1.82 -0.41 114.58 121.61 2qee h GLU 395 Ca 0.28 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2qee h GLU 395 Cb 0.17 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2qee h GLU 395 CO -0.03 1.03 0.17 0.82 -1.00 0.00 0.00 179.01 180.00 2qee h ILE 396 N 0.82 1.04 -0.93 3.13 2.04 -0.92 -0.49 117.51 122.21 2qee h ILE 396 Ca 0.13 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.92 2qee h ILE 396 Cb 0.68 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 2qee h ILE 396 CO 0.05 0.06 0.59 0.11 0.00 0.00 0.00 178.15 178.97 2qee h LYS 397 N 0.35 1.08 -0.04 2.37 1.57 -0.79 -0.53 116.57 120.59 2qee h LYS 397 Ca 0.11 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2qee h LYS 397 Cb -0.01 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.05 2qee h LYS 397 CO -0.04 0.71 0.01 -0.09 -0.57 0.00 0.00 179.45 179.47 2qee h ARG 398 N 1.11 0.06 -0.64 3.15 2.43 -0.68 -0.88 114.38 118.93 2qee h ARG 398 Ca 0.39 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.45 2qee h ARG 398 Cb 0.10 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2qee h ARG 398 CO -0.15 0.26 0.06 -0.44 -1.51 0.00 0.00 179.97 178.19 2qee h ASP 399 N -0.15 1.06 -0.65 -3.80 3.32 -0.75 -0.37 116.42 115.08 2qee h ASP 399 Ca 0.01 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 2qee h ASP 399 Cb 0.22 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 2qee h ASP 399 CO -0.00 1.08 0.32 0.58 -1.72 0.00 0.00 179.24 179.50 2qee h VAL 400 N 1.01 1.22 -0.74 -1.35 2.07 -1.06 -1.57 116.25 115.82 2qee h VAL 400 Ca 0.19 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 2qee h VAL 400 Cb 0.50 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 2qee h VAL 400 CO 0.02 0.25 0.38 0.00 0.02 0.00 0.00 177.57 178.24 2qee h ALA 401 N 1.15 1.26 0.02 1.67 0.00 -0.60 -1.24 119.26 121.52 2qee h ALA 401 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qee h ALA 401 Cb 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2qee h ALA 401 CO -0.03 0.58 -0.04 -0.44 0.00 0.00 0.00 179.25 179.32 2qee h ASP 402 N 1.05 -0.10 -0.58 0.00 3.32 -0.64 0.28 116.42 119.75 2qee h ASP 402 Ca 0.26 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 2qee h ASP 402 Cb 0.08 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2qee h ASP 402 CO -0.04 -0.06 0.07 -0.07 -1.72 0.00 0.00 179.24 177.42 2qee h LEU 403 N -0.07 0.94 0.00 1.55 3.38 -0.98 0.10 115.31 120.23 2qee h LEU 403 Ca 0.01 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2qee h LEU 403 Cb 0.08 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2qee h LEU 403 CO -0.03 0.98 -0.67 0.49 0.09 0.00 0.00 178.44 179.30 2qee n PHE 404 N -4.29 0.00 0.12 1.13 3.72 -0.49 -4.11 117.46 113.54 2qee n PHE 404 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2qee n PHE 404 Cb 0.29 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 2qee n PHE 404 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2qee n SER 405 N -1.51 -2.08 -0.05 4.37 2.88 -0.26 -1.55 113.62 115.42 2qee n SER 405 Ca 0.05 0.47 -0.03 0.00 -1.33 0.00 0.00 58.87 58.03 2qee n SER 405 Cb 0.33 2.14 0.22 0.00 -0.75 0.00 0.00 64.21 66.16 2qee n SER 405 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2qee h ARG 406 N 0.00 0.65 -0.76 -1.46 3.08 -0.43 -2.63 114.38 112.83 2qee h ARG 406 Ca 0.00 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2qee h ARG 406 Cb 0.00 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 2qee h ARG 406 CO 0.00 0.69 0.47 -0.91 -1.07 0.00 0.00 179.97 179.16 2qee h ASN 407 N 0.61 0.89 0.39 7.04 2.35 -1.00 -0.30 115.58 125.56 2qee h ASN 407 Ca 0.12 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2qee h ASN 407 Cb 0.44 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2qee h ASN 407 CO 0.02 0.67 -0.19 0.15 -1.65 0.00 0.00 177.43 176.43 2qee h PHE 408 N 1.04 -0.49 -0.69 1.19 3.57 -1.70 -1.45 116.94 118.41 2qee h PHE 408 Ca 0.27 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 2qee h PHE 408 Cb -0.07 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 2qee h PHE 408 CO 0.00 -0.18 0.35 -1.49 -2.23 0.00 0.00 178.31 174.77 2qee h TRP 409 N -0.79 0.96 -0.44 0.41 4.06 -1.31 -1.04 115.95 117.81 2qee h TRP 409 Ca -0.05 -0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.84 2qee h TRP 409 Cb 0.53 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 28.36 2qee h TRP 409 CO 0.01 0.69 0.16 -0.09 -3.56 0.00 0.00 178.44 175.65 2qee h ARG 410 N 0.97 0.66 -0.45 0.49 2.43 -1.03 -0.40 114.38 117.05 2qee h ARG 410 Ca 0.24 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 2qee h ARG 410 Cb 0.07 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2qee h ARG 410 CO -0.04 0.62 -0.14 0.35 -1.51 0.00 0.00 179.97 179.25 2qee h PHE 411 N 0.56 1.01 -0.00 2.20 3.57 -0.38 -2.54 116.94 121.36 2qee h PHE 411 Ca 0.14 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2qee h PHE 411 Cb 0.21 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2qee h PHE 411 CO 0.00 1.00 -0.03 1.33 -2.23 0.00 0.00 178.31 178.38 2qee n VAL 412 N -4.23 0.00 -2.90 1.41 0.24 -0.48 -4.91 118.33 107.46 2qee n VAL 412 Ca -0.00 -0.01 -0.15 0.00 -2.04 0.00 0.00 64.34 62.14 2qee n VAL 412 Cb 0.40 -0.42 0.03 0.00 -1.47 0.00 0.00 33.84 32.38 2qee n VAL 412 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qee n GLY 413 N 1.35 -0.07 3.38 7.63 0.00 -0.22 -4.83 105.19 112.43 2qee n GLY 413 Ca 0.12 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 2qee n GLY 413 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qee s ARG 414 N -5.47 1.55 -0.06 1.61 1.81 -0.81 -5.05 118.95 112.54 2qee s ARG 414 Ca 0.26 -1.86 -0.07 0.00 -1.72 0.00 0.00 55.73 52.33 2qee s ARG 414 Cb -0.11 -0.46 -0.04 0.00 -0.45 0.00 0.00 34.95 33.88 2qee s ARG 414 CO 0.32 -0.30 0.21 -0.80 -0.68 0.00 0.00 175.30 174.05 2qee s ASN 415 N -3.40 6.46 1.06 0.23 0.01 -1.26 -4.49 114.94 113.55 2qee s ASN 415 Ca 0.36 0.53 -0.16 0.00 -0.71 0.00 0.00 52.86 52.88 2qee s ASN 415 Cb 0.07 -2.08 0.22 0.00 0.41 0.00 0.00 41.25 39.87 2qee s ASN 415 CO 0.15 0.34 1.14 1.51 -1.51 0.00 0.00 177.10 178.72 2qee s ASP 416 N -1.35 2.13 0.17 -1.22 1.47 -1.26 -4.71 116.67 111.89 2qee s ASP 416 Ca 0.21 0.80 -0.15 0.00 1.18 0.00 0.00 52.55 54.60 2qee s ASP 416 Cb -0.13 -1.20 0.10 0.00 -0.34 0.00 0.00 42.92 41.35 2qee s ASP 416 CO 0.11 -3.39 1.76 -0.74 0.68 0.00 0.00 175.17 173.58 2qee h HIS 417 N -2.08 0.30 -0.59 2.11 -0.00 -1.91 -0.22 115.15 112.76 2qee h HIS 417 Ca -0.49 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 59.84 2qee h HIS 417 Cb 1.31 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.62 2qee h HIS 417 CO -0.86 0.13 0.12 0.28 -0.00 0.00 0.00 177.93 177.59 2qee h VAL 418 N 0.35 1.26 -0.01 5.26 2.07 -1.93 -2.32 116.25 120.93 2qee h VAL 418 Ca 0.19 -0.96 -0.15 0.00 0.82 0.00 0.00 66.70 66.60 2qee h VAL 418 Cb 0.16 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2qee h VAL 418 CO -0.18 0.35 -0.70 0.71 0.02 0.00 0.00 177.57 177.77 2qee h THR 419 N 0.88 1.49 -0.31 2.57 1.35 -1.87 -2.95 112.91 114.07 2qee h THR 419 Ca 0.18 -2.36 0.06 0.00 -0.55 0.00 0.00 66.41 63.74 2qee h THR 419 Cb 0.39 2.27 -0.06 0.00 -1.73 0.00 0.00 68.15 69.03 2qee h THR 419 CO 0.01 0.68 -0.06 0.28 -0.25 0.00 0.00 175.52 176.18 2qee h SER 420 N 0.03 -0.24 0.00 5.36 0.02 -0.60 -0.44 113.55 117.67 2qee h SER 420 Ca -0.01 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2qee h SER 420 Cb 1.24 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.96 2qee h SER 420 CO 0.09 -0.08 0.17 0.52 -1.14 0.00 0.00 176.83 176.39 2qee n VAL 421 N -5.23 1.18 -1.27 2.27 0.31 -0.91 -0.84 118.33 113.84 2qee n VAL 421 Ca 0.00 0.58 -0.35 0.00 -0.01 0.00 0.00 64.34 64.57 2qee n VAL 421 Cb 0.17 -1.58 -0.05 0.00 -0.91 0.00 0.00 33.84 31.47 2qee n VAL 421 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2qee n LYS 422 N -1.61 3.45 0.00 5.55 3.00 -0.17 -5.13 118.16 123.25 2qee n LYS 422 Ca -0.00 -2.03 0.00 0.00 -0.00 0.00 0.00 58.31 56.28 2qee n LYS 422 Cb 0.18 -2.67 0.00 0.00 0.00 0.00 0.00 35.03 32.54 2qee n LYS 422 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95