#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qee s LEU 1 N 0.00 3.23 0.00 1.04 0.20 -1.26 -4.87 118.68 117.02 2qee s LEU 1 Ca 0.00 0.02 0.01 0.00 0.69 0.00 0.00 54.13 54.85 2qee s LEU 1 Cb 0.00 -2.54 -0.00 0.00 -0.43 0.00 0.00 46.19 43.22 2qee s LEU 1 CO 0.00 -2.64 0.10 -1.54 -0.29 0.00 0.00 176.35 171.98 2qee n SER 2 N 13.83 -0.28 -4.67 3.68 3.41 -1.26 -4.90 113.62 123.42 2qee n SER 2 Ca 0.30 -1.57 -0.41 0.00 -0.26 0.00 0.00 58.87 56.93 2qee n SER 2 Cb 0.50 0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 64.98 2qee n SER 2 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2qee s ILE 3 N -2.45 4.92 -0.71 -1.33 1.01 -0.57 -4.95 121.20 117.11 2qee s ILE 3 Ca 0.10 1.55 0.07 0.00 0.00 0.00 0.00 60.65 62.37 2qee s ILE 3 Cb 0.00 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.39 2qee s ILE 3 CO 0.07 0.06 0.59 0.59 0.00 0.00 0.00 174.94 176.25 2qee n ASN 4 N 5.06 1.21 -4.18 3.58 3.02 -1.26 -4.66 115.26 118.03 2qee n ASN 4 Ca 0.03 -1.10 -0.16 0.00 -0.03 0.00 0.00 54.58 53.31 2qee n ASN 4 Cb 0.49 0.30 -0.11 0.00 -0.61 0.00 0.00 39.78 39.84 2qee n ASN 4 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2qee s SER 5 N -0.89 1.58 0.41 6.41 1.04 -1.26 -5.03 113.70 115.97 2qee s SER 5 Ca 0.07 -0.72 0.07 0.00 0.48 0.00 0.00 55.95 55.84 2qee s SER 5 Cb 0.06 -0.02 0.86 0.00 0.10 0.00 0.00 66.02 67.01 2qee s SER 5 CO 0.14 -0.17 2.05 -0.09 0.98 0.00 0.00 173.24 176.14 2qee h ARG 6 N 3.87 0.55 -0.39 4.02 1.12 -1.99 -1.13 114.38 120.44 2qee h ARG 6 Ca -0.39 -0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 58.40 2qee h ARG 6 Cb 1.19 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 31.01 2qee h ARG 6 CO 0.47 0.36 0.05 1.05 -3.11 0.00 0.00 179.97 178.79 2qee h GLU 7 N 0.56 0.65 -0.20 0.20 4.11 -1.99 -0.43 114.58 117.48 2qee h GLU 7 Ca 0.17 -0.18 -0.18 0.00 0.07 0.00 0.00 59.36 59.24 2qee h GLU 7 Cb -0.00 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2qee h GLU 7 CO -0.04 0.71 -0.59 0.28 0.07 0.00 0.00 179.01 179.45 2qee h VAL 8 N 0.50 1.31 -0.02 -1.06 2.07 -1.92 -1.36 116.25 115.76 2qee h VAL 8 Ca 0.12 -1.83 0.03 0.00 0.82 0.00 0.00 66.70 65.84 2qee h VAL 8 Cb 0.39 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 2qee h VAL 8 CO 0.01 0.58 -0.24 0.25 0.02 0.00 0.00 177.57 178.19 2qee h LEU 9 N 0.49 -0.70 -0.53 2.57 5.85 -1.06 -0.23 115.31 121.69 2qee h LEU 9 Ca 0.00 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2qee h LEU 9 Cb 1.16 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.46 2qee h LEU 9 CO 0.12 -0.30 0.30 0.00 -0.34 0.00 0.00 178.44 178.22 2qee h ALA 10 N 0.52 0.68 -0.06 1.25 0.00 -0.90 -1.22 119.26 119.53 2qee h ALA 10 Ca 0.07 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2qee h ALA 10 Cb 0.45 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2qee h ALA 10 CO -0.23 0.19 -0.26 1.49 0.00 0.00 0.00 179.25 180.44 2qee h GLU 11 N 0.72 -0.35 -0.18 0.00 4.81 -1.00 -1.06 114.58 117.51 2qee h GLU 11 Ca 0.19 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.32 2qee h GLU 11 Cb 0.02 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2qee h GLU 11 CO -0.03 -0.24 -0.43 0.87 -0.73 0.00 0.00 179.01 178.45 2qee h LYS 12 N -0.37 0.43 0.20 1.92 1.79 -0.64 -0.83 116.57 119.08 2qee h LYS 12 Ca 0.08 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 2qee h LYS 12 Cb 0.48 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 2qee h LYS 12 CO -0.27 0.78 -0.09 0.28 -1.08 0.00 0.00 179.45 179.07 2qee h VAL 13 N 0.35 0.88 -0.96 0.50 2.07 -1.15 -0.88 116.25 117.06 2qee h VAL 13 Ca 0.03 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.17 2qee h VAL 13 Cb 0.90 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 2qee h VAL 13 CO 0.08 0.09 0.63 0.11 0.02 0.00 0.00 177.57 178.50 2qee h LYS 14 N -0.45 1.27 0.05 1.57 1.57 -1.07 0.05 116.57 119.56 2qee h LYS 14 Ca -0.03 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2qee h LYS 14 Cb 0.35 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2qee h LYS 14 CO 0.04 0.84 -0.16 -0.91 -0.57 0.00 0.00 179.45 178.70 2qee h ASN 15 N 1.30 -0.46 -0.23 0.86 -0.26 -1.10 -0.68 115.58 115.02 2qee h ASN 15 Ca 0.35 0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 56.15 2qee h ASN 15 Cb -0.15 0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 2qee h ASN 15 CO -0.08 -0.23 0.14 0.00 -1.06 0.00 0.00 177.43 176.21 2qee h ALA 16 N 0.60 0.30 -0.33 -0.83 0.00 -0.67 -0.41 119.26 117.92 2qee h ALA 16 Ca 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2qee h ALA 16 Cb 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2qee h ALA 16 CO -0.12 -0.20 0.20 0.28 0.00 0.00 0.00 179.25 179.40 2qee h VAL 17 N 0.29 1.05 -0.33 0.00 2.07 -0.90 -0.07 116.25 118.36 2qee h VAL 17 Ca 0.08 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 2qee h VAL 17 Cb 0.01 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2qee h VAL 17 CO -0.02 0.07 -0.18 0.78 0.02 0.00 0.00 177.57 178.25 2qee h ASN 18 N 0.40 0.60 1.45 0.57 2.35 -0.93 -3.21 115.58 116.81 2qee h ASN 18 Ca 0.13 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2qee h ASN 18 Cb -0.01 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 2qee h ASN 18 CO -0.05 0.79 -0.55 0.78 -1.65 0.00 0.00 177.43 176.74 2qee h ASN 19 N 0.54 0.00 -2.73 5.81 2.35 -0.80 -3.46 115.58 117.29 2qee h ASN 19 Ca 0.09 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.28 2qee h ASN 19 Cb 0.62 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 2qee h ASN 19 CO 0.04 0.01 1.07 -1.58 -1.65 0.00 0.00 177.43 175.32 2qee s GLN 20 N -3.29 4.04 0.14 0.81 2.00 -0.06 -4.97 119.66 118.34 2qee s GLN 20 Ca 0.03 1.89 -0.33 0.00 -2.00 0.00 0.00 55.36 54.94 2qee s GLN 20 Cb 0.07 -3.96 -0.13 0.00 0.80 0.00 0.00 33.01 29.79 2qee s GLN 20 CO 0.74 -0.99 1.67 -2.30 -0.50 0.00 0.00 175.29 173.90 2qee n PRO 21 N 7.23 2.36 -3.28 1.67 -0.02 -1.26 -4.94 135.00 136.77 2qee n PRO 21 Ca 0.17 0.86 -0.38 0.00 -2.02 0.00 0.00 63.50 62.12 2qee n PRO 21 Cb 0.44 -2.66 -0.06 0.00 -0.02 0.00 0.00 33.50 31.20 2qee n PRO 21 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2qee s VAL 22 N 1.46 5.13 -0.32 -1.45 1.01 0.11 -4.67 120.40 121.67 2qee s VAL 22 Ca 0.80 1.05 -0.17 0.00 0.00 0.00 0.00 61.98 63.65 2qee s VAL 22 Cb -0.62 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 2qee s VAL 22 CO 0.38 0.34 0.48 -0.89 0.00 0.00 0.00 175.10 175.41 2qee s THR 23 N 0.44 5.06 -0.59 3.92 2.01 -0.63 -0.72 115.64 125.14 2qee s THR 23 Ca 0.28 0.46 -0.18 0.00 0.31 0.00 0.00 61.69 62.56 2qee s THR 23 Cb -0.16 -3.88 0.11 0.00 0.01 0.00 0.00 72.50 68.58 2qee s THR 23 CO 0.12 -0.08 0.66 -0.62 -0.69 0.00 0.00 174.62 174.01 2qee s ASP 24 N 1.70 6.20 0.00 3.53 -1.08 -0.16 -4.71 116.67 122.15 2qee s ASP 24 Ca 0.18 -1.57 0.23 0.00 -0.52 0.00 0.00 52.55 50.87 2qee s ASP 24 Cb -0.16 -2.28 1.03 0.00 -1.46 0.00 0.00 42.92 40.06 2qee s ASP 24 CO 0.12 -1.04 1.70 1.15 0.52 0.00 0.00 175.17 177.62 2qee n MET 25 N 6.00 1.44 -3.47 4.34 0.00 -1.26 -1.20 117.12 122.96 2qee n MET 25 Ca -0.10 -0.66 -0.07 0.00 0.00 0.00 0.00 57.70 56.88 2qee n MET 25 Cb 0.42 -1.39 -0.07 0.00 0.00 0.00 0.00 33.22 32.17 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 0.24 3.17 5.65 -1.26 -4.71 115.29 115.53 2qee s HIS 26 Ca 0.34 1.33 0.01 0.00 0.25 0.00 0.00 55.06 56.99 2qee s HIS 26 Cb 0.17 0.26 -0.04 0.00 -1.18 0.00 0.00 32.58 31.79 2qee s HIS 26 CO 0.27 -0.64 0.17 0.95 -0.65 0.00 0.00 174.74 174.84 2qee s THR 27 N 2.64 0.04 -0.33 0.89 -4.23 -0.52 -1.37 115.64 112.77 2qee s THR 27 Ca 0.07 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.65 2qee s THR 27 Cb -0.14 -2.51 0.48 0.00 1.34 0.00 0.00 72.50 71.68 2qee s THR 27 CO -0.15 0.00 1.45 1.41 -0.54 0.00 0.00 174.62 176.78 2qee n HIS 28 N -0.39 1.62 -3.23 3.99 8.25 0.69 -2.73 115.22 123.41 2qee n HIS 28 Ca 0.03 -1.90 -0.22 0.00 -0.26 0.00 0.00 57.72 55.37 2qee n HIS 28 Cb 0.65 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 -3.40 3.83 0.03 2.41 1.43 -1.19 -4.62 118.68 117.17 2qee s LEU 29 Ca 0.48 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.77 2qee s LEU 29 Cb 0.42 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 2qee s LEU 29 CO -0.00 -0.53 -0.07 -0.36 0.23 0.00 0.00 176.35 175.62 2qee s PHE 30 N -2.38 0.60 0.20 0.29 0.08 -1.26 -4.41 117.98 111.10 2qee s PHE 30 Ca 0.45 -0.36 -0.31 0.00 0.12 0.00 0.00 56.93 56.83 2qee s PHE 30 Cb -0.10 -0.37 -0.16 0.00 -0.57 0.00 0.00 43.02 41.83 2qee s PHE 30 CO 0.35 -0.06 1.04 0.45 -0.10 0.00 0.00 175.22 176.90 2qee n SER 31 N 1.98 0.94 0.21 1.36 2.88 -1.26 -4.74 113.62 114.99 2qee n SER 31 Ca -0.19 1.15 0.15 0.00 -1.33 0.00 0.00 58.87 58.65 2qee n SER 31 Cb 0.56 -1.19 0.67 0.00 -0.75 0.00 0.00 64.21 63.50 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 2.67 0.00 0.00 -1.46 0.13 -1.93 -0.86 132.00 130.55 2qee h PRO 32 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2qee h PRO 32 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2qee h PRO 32 CO 0.66 0.00 0.00 -2.95 -0.23 0.00 0.00 178.00 175.48 2qee h ASN 33 N 0.00 0.00 0.44 1.44 -1.07 -1.94 -2.42 115.58 112.03 2qee h ASN 33 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2qee h ASN 33 Cb 0.30 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.55 2qee h ASN 33 CO 0.00 0.00 0.00 0.49 0.07 0.00 0.00 177.43 177.99 2qee n PHE 34 N -2.87 0.00 -0.81 4.14 3.01 -0.33 -5.00 117.46 115.60 2qee n PHE 34 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2qee n PHE 34 Cb 0.25 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 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 0.53 -0.39 0.00 1.37 0.00 -0.91 -4.50 105.19 101.29 2qee n GLY 35 Ca 0.09 -1.71 0.11 0.00 0.00 0.00 0.00 46.02 44.51 2qee n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qee n GLU 36 N 0.00 0.54 0.27 1.61 1.02 -1.26 -2.38 120.64 120.44 2qee n GLU 36 Ca 0.00 0.03 0.18 0.00 -0.02 0.00 0.00 57.16 57.35 2qee n GLU 36 Cb 0.00 -1.50 0.80 0.00 -0.02 0.00 0.00 31.44 30.72 2qee n GLU 36 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 2qee h ILE 37 N 0.00 0.00 -3.32 -3.67 3.07 -1.97 -3.38 117.51 108.24 2qee h ILE 37 Ca 0.00 -0.31 -0.57 0.00 1.55 0.00 0.00 64.86 65.53 2qee h ILE 37 Cb 0.07 1.25 -0.06 0.00 -0.27 0.00 0.00 36.82 37.81 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 -5.86 3.76 -0.13 0.16 2.96 -1.00 -4.78 118.68 113.79 2qee s LEU 38 Ca -0.00 0.94 -0.12 0.00 -0.22 0.00 0.00 54.13 54.72 2qee s LEU 38 Cb 0.10 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.20 2qee s LEU 38 CO 0.47 -1.18 0.26 -0.76 -1.32 0.00 0.00 176.35 173.81 2qee s LEU 39 N 4.58 4.30 0.10 -0.68 1.43 -1.26 -5.02 118.68 122.13 2qee s LEU 39 Ca 0.55 0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 54.01 2qee s LEU 39 Cb -0.13 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 43.81 2qee s LEU 39 CO 0.26 0.20 0.39 -1.66 0.23 0.00 0.00 176.35 175.78 2qee s TRP 40 N -0.06 -0.20 0.00 0.29 1.48 -1.26 -0.65 118.94 118.54 2qee s TRP 40 Ca 0.16 -0.03 0.00 0.00 -1.06 0.00 0.00 56.10 55.17 2qee s TRP 40 Cb -0.13 0.23 0.00 0.00 -1.16 0.00 0.00 33.47 32.41 2qee s TRP 40 CO 0.04 -0.65 0.00 -0.40 -4.06 0.00 0.00 176.95 171.88 2qee n ASP 41 N 0.02 0.00 -0.07 -2.66 5.68 -1.26 -4.61 116.55 113.66 2qee n ASP 41 Ca -0.17 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.04 2qee n ASP 41 Cb 0.62 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.69 2qee n ASP 41 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2qee h ILE 42 N 0.00 1.28 -0.87 2.12 6.09 -1.96 -0.36 117.51 123.81 2qee h ILE 42 Ca 0.00 -1.40 -0.00 0.00 -1.37 0.00 0.00 64.86 62.09 2qee h ILE 42 Cb 0.00 1.30 -0.04 0.00 0.47 0.00 0.00 36.82 38.55 2qee h ILE 42 CO 0.00 0.46 0.53 0.44 -3.07 0.00 0.00 178.15 176.51 2qee h ASP 43 N 0.62 1.04 -0.50 2.19 3.32 -1.95 0.10 116.42 121.24 2qee h ASP 43 Ca 0.08 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 2qee h ASP 43 Cb 0.79 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 2qee h ASP 43 CO 0.06 0.80 -0.02 -0.33 -1.72 0.00 0.00 179.24 178.03 2qee h GLU 44 N 1.20 0.90 -0.15 3.56 4.39 -1.71 -1.71 114.58 121.06 2qee h GLU 44 Ca 0.31 -0.30 0.04 0.00 0.34 0.00 0.00 59.36 59.75 2qee h GLU 44 Cb -0.06 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 2qee h GLU 44 CO -0.06 0.94 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.58 2qee h LEU 45 N 0.76 -0.25 -1.46 1.33 3.38 -0.62 -1.73 115.31 116.71 2qee h LEU 45 Ca 0.14 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 2qee h LEU 45 Cb 0.55 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2qee h LEU 45 CO 0.03 -0.10 -0.27 -0.07 0.09 0.00 0.00 178.44 178.12 2qee h LEU 46 N -0.06 0.00 -2.59 1.67 3.38 -0.85 -2.87 115.31 113.99 2qee h LEU 46 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2qee h LEU 46 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2qee h LEU 46 CO -0.19 0.27 0.00 0.35 0.09 0.00 0.00 178.44 178.96 2qee n THR 47 N -4.20 0.94 -1.46 0.22 -2.24 -0.66 -4.67 114.28 102.21 2qee n THR 47 Ca -0.02 -0.94 -0.45 0.00 -2.27 0.00 0.00 64.05 60.37 2qee n THR 47 Cb 0.32 0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.09 0.25 4.78 9.36 -0.68 -4.69 117.16 127.65 2qee n TYR 48 Ca 0.23 0.77 0.09 0.00 3.32 0.00 0.00 57.90 62.32 2qee n TYR 48 Cb 0.59 -2.04 0.66 0.00 -0.63 0.00 0.00 39.34 37.92 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 1.19 0.00 -0.93 2.98 2.07 -1.91 -1.06 115.15 117.49 2qee h HIS 49 Ca -0.35 0.00 0.09 0.00 -2.85 0.00 0.00 60.37 57.26 2qee h HIS 49 Cb 1.40 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.31 2qee h HIS 49 CO 0.41 0.10 0.60 1.88 -3.07 0.00 0.00 177.93 177.85 2qee h TYR 50 N 0.00 1.04 0.00 6.12 -1.99 -1.94 -2.54 116.97 117.65 2qee h TYR 50 Ca -0.00 0.03 -0.17 0.00 2.00 0.00 0.00 58.73 60.58 2qee h TYR 50 Cb 0.20 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 38.57 2qee h TYR 50 CO 0.00 0.49 -0.82 -0.07 -0.00 0.00 0.00 178.16 177.76 2qee h LEU 51 N 0.97 0.00 -0.11 3.88 3.38 -1.50 -2.88 115.31 119.05 2qee h LEU 51 Ca 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.39 2qee h LEU 51 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2qee h LEU 51 CO -0.18 0.82 0.07 0.58 0.09 0.00 0.00 178.44 179.81 2qee h VAL 52 N 0.00 1.08 -0.46 1.22 2.07 -1.07 0.79 116.25 119.88 2qee h VAL 52 Ca -0.01 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.39 2qee h VAL 52 Cb 1.50 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 32.20 2qee h VAL 52 CO 0.11 0.07 0.02 0.00 0.02 0.00 0.00 177.57 177.78 2qee h ALA 53 N 0.98 0.45 -0.42 1.67 0.00 -1.49 -1.74 119.26 118.71 2qee h ALA 53 Ca 0.04 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2qee h ALA 53 Cb 0.05 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2qee h ALA 53 CO -0.01 -0.37 0.07 0.93 0.00 0.00 0.00 179.25 179.87 2qee h GLU 54 N 0.13 0.70 -0.33 0.00 5.08 -1.27 -2.95 114.58 115.94 2qee h GLU 54 Ca 0.23 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 2qee h GLU 54 Cb 0.33 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2qee h GLU 54 CO -0.36 0.73 -0.16 -0.24 -1.00 0.00 0.00 179.01 177.97 2qee h VAL 55 N 0.55 1.25 0.00 3.13 3.04 -0.44 -2.27 116.25 121.51 2qee h VAL 55 Ca 0.13 -1.15 -0.01 0.00 -1.01 0.00 0.00 66.70 64.65 2qee h VAL 55 Cb 0.37 1.17 -0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2qee h VAL 55 CO 0.01 0.38 -0.06 0.24 -1.01 0.00 0.00 177.57 177.12 2qee h MET 56 N 0.54 0.00 0.00 4.17 2.86 -1.16 0.40 114.93 121.73 2qee h MET 56 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2qee h MET 56 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2qee h MET 56 CO 0.04 0.06 0.00 0.00 1.06 0.00 0.00 176.91 178.07 2qee h ARG 57 N 0.00 0.00 0.00 1.72 3.08 -1.29 -3.37 114.38 114.52 2qee h ARG 57 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2qee h ARG 57 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2qee h ARG 57 CO 0.01 0.00 -1.38 0.91 -1.07 0.00 0.00 179.97 178.43 2qee n TRP 58 N -2.40 0.00 -2.50 3.04 7.02 -0.04 -5.07 117.44 117.49 2qee n TRP 58 Ca 0.02 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.16 2qee n TRP 58 Cb 0.27 -0.26 -0.03 0.00 -2.42 0.00 0.00 31.31 28.87 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 -2.13 3.78 -0.52 -0.99 -1.32 -0.20 -4.97 115.64 109.29 2qee s THR 59 Ca -0.09 1.09 0.24 0.00 -1.21 0.00 0.00 61.69 61.71 2qee s THR 59 Cb 0.02 -3.44 0.15 0.00 -1.51 0.00 0.00 72.50 67.72 2qee s THR 59 CO 0.15 -0.26 1.41 0.44 -2.21 0.00 0.00 174.62 174.15 2qee h ASP 60 N 1.46 0.00 -3.09 8.08 3.32 -1.93 -3.47 116.42 120.80 2qee h ASP 60 Ca -0.49 -0.07 -0.54 0.00 0.02 0.00 0.00 57.03 55.95 2qee h ASP 60 Cb 1.22 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.85 2qee h ASP 60 CO 0.59 0.04 0.89 0.52 -1.72 0.00 0.00 179.24 179.55 2qee n VAL 61 N -2.49 0.79 -1.79 -1.35 0.31 -1.26 -4.98 118.33 107.56 2qee n VAL 61 Ca 0.03 -0.20 -0.32 0.00 -0.01 0.00 0.00 64.34 63.85 2qee n VAL 61 Cb 0.48 -1.92 0.03 0.00 -0.91 0.00 0.00 33.84 31.52 2qee n VAL 61 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2qee s SER 62 N 0.62 5.59 0.43 4.52 1.04 -1.26 -4.86 113.70 119.79 2qee s SER 62 Ca 0.67 1.69 0.10 0.00 0.48 0.00 0.00 55.95 58.89 2qee s SER 62 Cb -0.51 -2.51 0.97 0.00 0.10 0.00 0.00 66.02 64.06 2qee s SER 62 CO 0.45 -1.30 2.05 -0.29 0.98 0.00 0.00 173.24 175.13 2qee h ILE 63 N -0.21 1.04 -0.00 -1.02 6.09 -1.97 -0.36 117.51 121.08 2qee h ILE 63 Ca -0.45 -0.15 -0.00 0.00 -1.37 0.00 0.00 64.86 62.89 2qee h ILE 63 Cb 1.21 0.57 0.00 0.00 0.47 0.00 0.00 36.82 39.07 2qee h ILE 63 CO 0.57 0.08 -0.00 -0.33 -3.07 0.00 0.00 178.15 175.40 2qee h GLU 64 N 0.43 0.01 -0.89 2.19 3.07 -1.94 -1.86 114.58 115.59 2qee h GLU 64 Ca 0.16 -0.00 0.11 0.00 -0.50 0.00 0.00 59.36 59.12 2qee h GLU 64 Cb 0.10 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.93 2qee h GLU 64 CO -0.04 0.57 0.52 0.00 -1.40 0.00 0.00 179.01 178.67 2qee h ALA 65 N 0.44 1.30 -0.09 3.43 0.00 -1.88 -1.42 119.26 121.03 2qee h ALA 65 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2qee h ALA 65 Cb 0.57 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2qee h ALA 65 CO 0.00 0.13 -0.08 0.35 0.00 0.00 0.00 179.25 179.66 2qee h PHE 66 N 0.85 -0.19 -0.16 0.00 3.57 -1.00 -2.41 116.94 117.60 2qee h PHE 66 Ca 0.44 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.90 2qee h PHE 66 Cb 0.42 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2qee h PHE 66 CO -0.04 -0.12 -0.13 -1.49 -2.23 0.00 0.00 178.31 174.30 2qee h TRP 67 N -0.09 0.27 0.00 0.41 -0.00 -0.67 -1.98 115.95 113.89 2qee h TRP 67 Ca 0.06 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.90 2qee h TRP 67 Cb 0.19 -0.08 -0.00 0.00 -0.00 0.00 0.00 29.16 29.26 2qee h TRP 67 CO -0.19 0.39 -0.13 0.00 -0.00 0.00 0.00 178.44 178.50 2qee h ALA 68 N 1.63 1.04 -2.43 1.49 0.00 -1.05 -3.45 119.26 116.49 2qee h ALA 68 Ca 0.05 -0.12 -0.52 0.00 0.00 0.00 0.00 54.91 54.32 2qee h ALA 68 Cb 0.38 -0.02 0.13 0.00 0.00 0.00 0.00 17.79 18.28 2qee h ALA 68 CO 0.02 0.17 0.34 -1.64 0.00 0.00 0.00 179.25 178.14 2qee s MET 69 N -3.72 2.35 0.86 0.00 -1.94 -0.75 -5.02 119.30 111.08 2qee s MET 69 Ca 0.00 1.40 -0.12 0.00 -1.71 0.00 0.00 55.69 55.26 2qee s MET 69 Cb 0.10 -1.89 0.11 0.00 2.01 0.00 0.00 34.83 35.16 2qee s MET 69 CO 0.60 -1.60 1.10 -1.54 -0.01 0.00 0.00 175.02 173.56 2qee s SER 70 N -2.75 3.85 0.21 3.03 1.04 -1.26 -4.80 113.70 113.01 2qee s SER 70 Ca 0.66 1.28 -0.09 0.00 0.48 0.00 0.00 55.95 58.28 2qee s SER 70 Cb -0.21 -1.96 0.16 0.00 0.10 0.00 0.00 66.02 64.11 2qee s SER 70 CO 0.48 -2.37 1.82 0.50 0.98 0.00 0.00 173.24 174.65 2qee h LYS 71 N -1.37 1.11 -0.88 4.02 3.64 -1.96 -0.19 116.57 120.95 2qee h LYS 71 Ca -0.49 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 58.76 2qee h LYS 71 Cb 1.29 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 2qee h LYS 71 CO 0.58 0.83 0.58 -0.09 -2.27 0.00 0.00 179.45 179.08 2qee h ARG 72 N 1.10 1.14 -0.52 1.90 2.43 -1.94 0.39 114.38 118.88 2qee h ARG 72 Ca 0.28 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 2qee h ARG 72 Cb 0.06 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 2qee h ARG 72 CO -0.04 0.75 0.09 0.93 -1.51 0.00 0.00 179.97 180.19 2qee h GLU 73 N 1.17 0.85 0.14 0.20 5.08 -1.73 0.89 114.58 121.19 2qee h GLU 73 Ca 0.33 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2qee h GLU 73 Cb -0.11 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2qee h GLU 73 CO -0.08 0.84 -0.07 1.96 -1.00 0.00 0.00 179.01 180.66 2qee h GLN 74 N 0.74 -0.18 -0.61 2.33 4.20 -0.74 -0.49 115.11 120.36 2qee h GLN 74 Ca 0.16 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.97 2qee h GLN 74 Cb 0.39 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.14 2qee h GLN 74 CO 0.01 -0.04 0.23 0.00 -0.67 0.00 0.00 178.83 178.37 2qee h ALA 75 N 0.56 0.79 -0.46 3.87 0.00 -0.85 -0.79 119.26 122.38 2qee h ALA 75 Ca -0.02 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2qee h ALA 75 Cb 0.23 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2qee h ALA 75 CO 0.03 -0.19 0.22 -0.44 0.00 0.00 0.00 179.25 178.88 2qee h ASP 76 N 0.42 0.32 0.00 0.00 3.32 -0.52 -1.09 116.42 118.86 2qee h ASP 76 Ca 0.31 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 2qee h ASP 76 Cb 0.38 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2qee h ASP 76 CO -0.31 0.22 -0.00 0.25 -1.72 0.00 0.00 179.24 177.69 2qee h LEU 77 N 0.45 -0.00 -0.32 1.55 5.85 -0.45 -2.24 115.31 120.14 2qee h LEU 77 Ca 0.20 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.94 2qee h LEU 77 Cb 0.12 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2qee h LEU 77 CO -0.15 0.02 0.13 0.40 -0.34 0.00 0.00 178.44 178.49 2qee h ILE 78 N -0.02 0.93 -0.27 4.05 2.04 -0.96 0.35 117.51 123.64 2qee h ILE 78 Ca -0.00 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 65.82 2qee h ILE 78 Cb 0.02 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 2qee h ILE 78 CO 0.00 0.05 -0.08 -0.25 0.00 0.00 0.00 178.15 177.87 2qee h TRP 79 N 0.28 -0.18 -0.30 1.37 2.91 -1.17 0.11 115.95 118.97 2qee h TRP 79 Ca 0.14 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.18 2qee h TRP 79 Cb 0.09 0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 28.85 2qee h TRP 79 CO -0.12 -0.14 0.14 1.49 -1.03 0.00 0.00 178.44 178.78 2qee h GLU 80 N -0.02 0.43 -0.07 2.65 4.57 -0.98 -1.04 114.58 120.12 2qee h GLU 80 Ca 0.13 -0.06 -0.22 0.00 -1.18 0.00 0.00 59.36 58.03 2qee h GLU 80 Cb 0.23 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2qee h GLU 80 CO -0.29 0.41 -0.84 0.93 -1.18 0.00 0.00 179.01 178.04 2qee h GLU 81 N 0.35 0.56 0.00 1.92 4.39 -0.66 0.23 114.58 121.38 2qee h GLU 81 Ca 0.10 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.30 2qee h GLU 81 Cb 0.12 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2qee h GLU 81 CO -0.01 1.13 -1.63 1.28 -1.16 0.00 0.00 179.01 178.62 2qee n LEU 82 N -3.85 0.13 -0.03 1.33 4.77 0.37 -3.81 117.00 115.91 2qee n LEU 82 Ca -0.07 -0.08 -0.04 0.00 -0.03 0.00 0.00 56.01 55.79 2qee n LEU 82 Cb 0.77 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.83 2qee n LEU 82 CO 0.51 0.03 -0.72 0.49 -1.33 0.00 0.00 177.39 176.38 2qee n PHE 83 N -1.99 0.00 -0.11 -1.77 3.72 -0.44 -3.46 117.46 113.41 2qee n PHE 83 Ca -0.02 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.14 2qee n PHE 83 Cb 0.42 -0.28 -0.11 0.00 -0.94 0.00 0.00 39.48 38.57 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 -2.52 1.53 0.20 4.37 2.08 -0.92 -4.37 119.36 119.73 2qee n ILE 84 Ca -0.11 -0.13 0.10 0.00 0.56 0.00 0.00 62.75 63.16 2qee n ILE 84 Cb 0.66 -2.00 0.18 0.00 -0.75 0.00 0.00 39.64 37.73 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 -1.00 0.00 -4.28 0.38 1.57 -1.14 -3.44 116.57 108.66 2qee h LYS 85 Ca -0.45 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.12 2qee h LYS 85 Cb 1.40 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.50 2qee h LYS 85 CO -0.27 0.15 -0.71 1.03 -0.57 0.00 0.00 179.45 179.07 2qee s ARG 86 N -3.20 0.45 0.30 3.15 3.00 -1.25 -5.05 118.95 116.36 2qee s ARG 86 Ca 0.05 -0.75 -0.29 0.00 0.00 0.00 0.00 55.73 54.74 2qee s ARG 86 Cb 0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 34.95 34.83 2qee s ARG 86 CO 0.68 -0.01 1.44 -1.12 0.00 0.00 0.00 175.30 176.29 2qee s SER 87 N -1.69 6.58 -1.49 0.23 0.01 -1.26 -3.41 113.70 112.67 2qee s SER 87 Ca -0.11 2.80 -0.10 0.00 1.31 0.00 0.00 55.95 59.85 2qee s SER 87 Cb -0.08 -2.64 -0.07 0.00 0.21 0.00 0.00 66.02 63.44 2qee s SER 87 CO -0.01 -0.72 2.72 -0.81 0.41 0.00 0.00 173.24 174.83 2qee n PRO 88 N 1.51 3.32 0.12 12.44 -0.04 -1.22 -4.64 135.00 146.48 2qee n PRO 88 Ca 0.04 -2.16 0.12 0.00 -0.04 0.00 0.00 63.50 61.46 2qee n PRO 88 Cb 0.40 -2.83 0.22 0.00 -0.04 0.00 0.00 33.50 31.25 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 3.24 0.00 -4.24 0.52 -1.51 -1.89 -3.14 116.25 109.22 2qee h VAL 89 Ca 0.77 -0.68 -0.52 0.00 -1.23 0.00 0.00 66.70 65.04 2qee h VAL 89 Cb 0.33 1.49 0.16 0.00 -2.13 0.00 0.00 31.29 31.13 2qee h VAL 89 CO 1.77 0.00 0.32 -0.94 -1.23 0.00 0.00 177.57 177.48 2qee s SER 90 N -4.97 4.00 0.20 4.19 1.04 -1.26 -4.72 113.70 112.18 2qee s SER 90 Ca 0.07 2.12 -0.10 0.00 0.48 0.00 0.00 55.95 58.52 2qee s SER 90 Cb 0.10 -2.56 0.24 0.00 0.10 0.00 0.00 66.02 63.91 2qee s SER 90 CO 0.68 -2.38 1.75 -0.08 0.98 0.00 0.00 173.24 174.19 2qee h GLU 91 N -0.95 0.40 -0.72 4.02 4.57 -1.97 0.15 114.58 120.09 2qee h GLU 91 Ca -0.45 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 57.64 2qee h GLU 91 Cb 1.26 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 2qee h GLU 91 CO 0.48 0.27 0.19 0.00 -1.18 0.00 0.00 179.01 178.76 2qee h ALA 92 N 1.38 0.94 -0.11 2.92 0.00 -1.95 -0.11 119.26 122.33 2qee h ALA 92 Ca 0.28 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2qee h ALA 92 Cb 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2qee h ALA 92 CO -0.27 0.66 -0.42 0.00 0.00 0.00 0.00 179.25 179.22 2qee h ARG 94 N 0.08 0.69 -0.57 0.00 2.43 -0.63 -2.11 114.38 114.27 2qee h ARG 94 Ca -0.02 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2qee h ARG 94 Cb 1.05 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 2qee h ARG 94 CO 0.09 0.45 0.34 0.78 -1.51 0.00 0.00 179.97 180.12 2qee h GLY 95 N 0.71 0.82 0.29 2.80 0.00 -0.58 -0.80 103.07 106.31 2qee h GLY 95 Ca 0.54 -0.34 0.09 0.00 0.00 0.00 0.00 47.33 47.62 2qee h GLY 95 CO -0.31 0.33 0.09 -2.08 0.00 0.00 0.00 176.54 174.57 2qee h VAL 96 N 0.76 0.69 -0.22 4.60 2.07 -1.05 -1.25 116.25 121.86 2qee h VAL 96 Ca 0.20 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 2qee h VAL 96 Cb -0.02 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2qee h VAL 96 CO -0.04 0.04 0.08 -0.07 0.02 0.00 0.00 177.57 177.60 2qee h LEU 97 N 0.22 0.31 -0.96 2.57 3.38 -1.11 -1.29 115.31 118.42 2qee h LEU 97 Ca 0.26 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.15 2qee h LEU 97 Cb 0.37 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 2qee h LEU 97 CO -0.36 0.41 0.60 0.74 0.09 0.00 0.00 178.44 179.92 2qee h THR 98 N 0.19 0.96 0.28 0.22 2.02 -0.80 -0.95 112.91 114.84 2qee h THR 98 Ca 0.07 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 2qee h THR 98 Cb 0.20 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 2qee h THR 98 CO -0.00 0.18 -0.13 0.00 0.37 0.00 0.00 175.52 175.93 2qee h LEU 100 N -0.42 -0.09 -0.77 0.00 3.38 -0.71 -1.86 115.31 114.84 2qee h LEU 100 Ca -0.04 0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2qee h LEU 100 Cb 0.32 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2qee h LEU 100 CO 0.06 -0.03 0.17 -0.61 0.09 0.00 0.00 178.44 178.12 2qee h GLN 101 N 0.20 1.10 -0.14 1.13 4.15 -1.02 -0.79 115.11 119.74 2qee h GLN 101 Ca 0.29 -0.26 -0.08 0.00 0.77 0.00 0.00 58.65 59.38 2qee h GLN 101 Cb 0.44 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 2qee h GLN 101 CO -0.41 0.97 -0.25 0.78 -1.93 0.00 0.00 178.83 177.98 2qee h GLY 102 N 1.08 0.26 1.67 2.39 0.00 -0.43 -0.30 103.07 107.74 2qee h GLY 102 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2qee h GLY 102 CO 0.00 0.18 0.00 1.04 0.00 0.00 0.00 176.54 177.76 2qee n LEU 103 N -4.16 0.00 0.00 3.11 4.77 -0.76 -4.88 117.00 115.08 2qee n LEU 103 Ca -0.01 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2qee n LEU 103 Cb 0.36 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2qee n LEU 103 CO 0.40 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2qee n GLY 104 N 0.77 0.75 3.85 -0.72 0.00 -0.12 -5.07 105.19 104.65 2qee n GLY 104 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 2.34 -0.35 0.99 1.43 -0.33 -4.99 118.68 117.76 2qee s LEU 105 Ca 0.00 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.02 2qee s LEU 105 Cb 0.00 -3.34 0.10 0.00 0.03 0.00 0.00 46.19 42.98 2qee s LEU 105 CO 0.00 -2.13 0.09 -0.62 0.23 0.00 0.00 176.35 173.92 2qee s ASP 106 N -4.32 4.45 0.57 2.29 2.15 -1.26 -4.05 116.67 116.49 2qee s ASP 106 Ca 0.62 -2.07 0.38 0.00 0.43 0.00 0.00 52.55 51.91 2qee s ASP 106 Cb -0.13 -1.35 2.08 0.00 -0.30 0.00 0.00 42.92 43.22 2qee s ASP 106 CO 0.51 -0.38 2.17 -0.65 -0.17 0.00 0.00 175.17 176.65 2qee h PRO 107 N 7.65 0.00 -0.36 4.34 0.11 -1.90 -2.63 132.00 139.20 2qee h PRO 107 Ca -0.07 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.06 2qee h PRO 107 Cb 1.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 2qee h PRO 107 CO 0.51 0.00 0.24 0.00 -0.21 0.00 0.00 178.00 178.54 2qee h ALA 108 N 1.98 1.81 0.00 -0.75 0.00 -2.01 -2.42 119.26 117.88 2qee h ALA 108 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qee h ALA 108 Cb 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2qee h ALA 108 CO 0.00 0.16 -0.02 1.79 0.00 0.00 0.00 179.25 181.17 2qee h THR 109 N 0.43 0.04 -3.34 0.00 1.35 -1.91 -3.46 112.91 106.01 2qee h THR 109 Ca 0.14 -0.94 -0.26 0.00 -0.55 0.00 0.00 66.41 64.80 2qee h THR 109 Cb 0.04 1.91 -0.03 0.00 -1.73 0.00 0.00 68.15 68.34 2qee h THR 109 CO -0.03 0.02 -0.32 0.54 -0.25 0.00 0.00 175.52 175.48 2qee n ARG 110 N -3.11 -2.03 -3.03 4.72 1.74 -0.91 -4.87 116.66 109.17 2qee n ARG 110 Ca 0.03 0.65 -0.44 0.00 -0.77 0.00 0.00 57.85 57.32 2qee n ARG 110 Cb 0.49 -5.19 0.00 0.00 -1.02 0.00 0.00 32.46 26.74 2qee n ARG 110 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2qee n ASP 111 N -1.58 5.33 -0.34 0.55 -0.08 -1.26 -4.83 116.55 114.34 2qee n ASP 111 Ca -0.15 -3.01 0.00 0.00 -1.51 0.00 0.00 54.79 50.12 2qee n ASP 111 Cb 0.58 -1.51 0.17 0.00 2.34 0.00 0.00 41.12 42.70 2qee n ASP 111 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2qee h LEU 112 N 8.65 1.05 -0.35 -2.67 5.85 -1.98 -0.79 115.31 125.07 2qee h LEU 112 Ca 0.28 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.00 2qee h LEU 112 Cb 0.85 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2qee h LEU 112 CO 1.20 0.73 0.19 1.56 -0.34 0.00 0.00 178.44 181.79 2qee h GLN 113 N 1.22 0.39 -1.00 1.25 1.08 -2.00 -1.40 115.11 114.64 2qee h GLN 113 Ca 0.37 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.58 2qee h GLN 113 Cb -0.03 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.25 2qee h GLN 113 CO -0.10 0.26 0.66 0.28 -0.95 0.00 0.00 178.83 178.97 2qee h VAL 114 N 0.40 1.17 -0.76 -0.54 2.07 -1.78 -2.62 116.25 114.18 2qee h VAL 114 Ca 0.14 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.23 2qee h VAL 114 Cb 0.02 -0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 29.54 2qee h VAL 114 CO -0.07 0.23 0.51 1.88 0.02 0.00 0.00 177.57 180.13 2qee h TYR 115 N 1.27 0.96 -0.93 1.57 0.05 -0.65 -2.69 116.97 116.55 2qee h TYR 115 Ca 0.40 0.02 0.03 0.00 0.05 0.00 0.00 58.73 59.24 2qee h TYR 115 Cb 0.00 -0.32 -0.05 0.00 1.01 0.00 0.00 36.73 37.36 2qee h TYR 115 CO -0.00 0.60 0.61 0.00 -1.05 0.00 0.00 178.16 178.32 2qee h ARG 116 N 1.03 1.14 -0.39 4.88 3.08 -0.97 -1.67 114.38 121.49 2qee h ARG 116 Ca 0.28 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.28 2qee h ARG 116 Cb -0.12 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.65 2qee h ARG 116 CO -0.06 0.75 0.26 0.93 -1.07 0.00 0.00 179.97 180.78 2qee h GLU 117 N 1.17 0.46 -0.50 0.04 5.08 -1.13 -2.08 114.58 117.62 2qee h GLU 117 Ca 0.36 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.77 2qee h GLU 117 Cb -0.00 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 2qee h GLU 117 CO -0.11 0.30 0.16 -0.92 -1.00 0.00 0.00 179.01 177.45 2qee h TYR 118 N 0.47 0.28 0.00 4.33 3.20 -1.27 -2.99 116.97 121.00 2qee h TYR 118 Ca 0.15 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 2qee h TYR 118 Cb 0.03 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2qee h TYR 118 CO -0.00 0.08 -0.52 0.74 -1.64 0.00 0.00 178.16 176.81 2qee h PHE 119 N 0.33 0.00 0.00 -3.82 0.04 -1.46 -3.26 116.94 108.77 2qee h PHE 119 Ca 0.24 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.99 2qee h PHE 119 Cb 0.28 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.43 2qee h PHE 119 CO -0.18 0.44 -0.10 0.00 -0.60 0.00 0.00 178.31 177.87 2qee h ALA 120 N 1.56 1.08 -0.00 2.45 0.00 -1.34 -2.75 119.26 120.26 2qee h ALA 120 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qee h ALA 120 Cb 1.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2qee h ALA 120 CO 0.06 0.13 -0.05 1.63 0.00 0.00 0.00 179.25 181.01 2qee n LYS 121 N -3.33 0.56 -4.38 0.00 5.02 -1.23 -4.94 118.16 109.86 2qee n LYS 121 Ca -0.01 -0.10 -0.24 0.00 -2.02 0.00 0.00 58.31 55.95 2qee n LYS 121 Cb 0.30 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.70 2qee n LYS 121 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2qee s LYS 122 N -2.51 1.41 0.44 1.97 1.02 -1.04 -5.14 119.74 115.89 2qee s LYS 122 Ca 0.29 -1.50 0.01 0.00 0.02 0.00 0.00 55.97 54.79 2qee s LYS 122 Cb 0.20 -1.54 -0.00 0.00 -0.52 0.00 0.00 37.83 35.97 2qee s LYS 122 CO 0.47 0.32 0.65 0.95 -0.92 0.00 0.00 175.35 176.81 2qee s THR 123 N -2.03 3.93 0.22 2.17 -4.23 -1.26 -5.00 115.64 109.44 2qee s THR 123 Ca 0.20 -0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 60.06 2qee s THR 123 Cb -0.06 -3.44 0.17 0.00 1.34 0.00 0.00 72.50 70.51 2qee s THR 123 CO 0.09 -0.29 1.78 0.28 -0.54 0.00 0.00 174.62 175.94 2qee h SER 124 N 0.45 0.49 -0.86 3.99 0.02 -1.97 -1.87 113.55 113.80 2qee h SER 124 Ca -0.46 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.54 2qee h SER 124 Cb 1.26 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.72 2qee h SER 124 CO 0.56 0.28 0.51 -0.33 -1.14 0.00 0.00 176.83 176.72 2qee h GLU 125 N 0.62 1.18 -0.42 3.45 3.07 -1.95 -0.45 114.58 120.08 2qee h GLU 125 Ca 0.35 -0.11 -0.13 0.00 -0.50 0.00 0.00 59.36 58.96 2qee h GLU 125 Cb 0.34 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 2qee h GLU 125 CO -0.26 0.83 -0.26 0.93 -1.40 0.00 0.00 179.01 178.85 2qee h GLU 126 N 1.19 0.91 -0.44 2.33 5.08 -1.82 -2.32 114.58 119.51 2qee h GLU 126 Ca 0.31 -0.42 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 2qee h GLU 126 Cb -0.04 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2qee h GLU 126 CO -0.06 1.08 -0.07 0.37 -1.00 0.00 0.00 179.01 179.33 2qee h GLN 127 N 0.73 0.82 -0.26 2.33 5.75 -1.09 -1.03 115.11 122.37 2qee h GLN 127 Ca 0.09 -0.30 0.05 0.00 -0.15 0.00 0.00 58.65 58.34 2qee h GLN 127 Cb 0.84 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.29 2qee h GLN 127 CO 0.07 0.92 -0.06 0.28 -2.65 0.00 0.00 178.83 177.39 2qee h VAL 128 N 0.65 0.74 -0.36 2.39 2.07 -1.05 0.20 116.25 120.90 2qee h VAL 128 Ca 0.12 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.71 2qee h VAL 128 Cb 0.60 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 2qee h VAL 128 CO 0.04 0.00 -0.09 0.44 0.02 0.00 0.00 177.57 177.97 2qee h ASP 129 N 0.00 -0.35 -0.23 0.57 3.32 -1.18 -1.02 116.42 117.54 2qee h ASP 129 Ca 0.12 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 2qee h ASP 129 Cb 0.19 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 2qee h ASP 129 CO -0.27 -0.12 0.12 0.74 -1.72 0.00 0.00 179.24 177.99 2qee h THR 130 N -0.00 1.12 -0.16 0.35 2.02 -0.58 -2.32 112.91 113.34 2qee h THR 130 Ca 0.18 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 2qee h THR 130 Cb 0.27 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2qee h THR 130 CO -0.38 0.12 -0.21 0.58 0.37 0.00 0.00 175.52 176.00 2qee h VAL 131 N 0.25 1.35 -0.57 3.16 2.07 -0.40 -0.19 116.25 121.92 2qee h VAL 131 Ca 0.08 -1.42 -0.04 0.00 0.82 0.00 0.00 66.70 66.14 2qee h VAL 131 Cb 0.08 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 2qee h VAL 131 CO -0.01 0.42 0.20 -0.07 0.02 0.00 0.00 177.57 178.13 2qee h LEU 132 N 0.05 0.77 0.11 2.57 3.38 -1.23 0.18 115.31 121.15 2qee h LEU 132 Ca 0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2qee h LEU 132 Cb 0.77 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2qee h LEU 132 CO 0.05 0.72 -0.05 -0.61 0.09 0.00 0.00 178.44 178.63 2qee h GLN 133 N 0.82 -0.14 -0.61 1.13 -0.00 -1.23 -0.04 115.11 115.03 2qee h GLN 133 Ca 0.19 0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.85 2qee h GLN 133 Cb 0.21 0.03 -0.03 0.00 0.00 0.00 0.00 27.48 27.69 2qee h GLN 133 CO -0.01 0.11 0.37 -0.07 0.00 0.00 0.00 178.83 179.23 2qee h LEU 134 N -0.39 0.73 0.00 -2.39 3.38 -0.64 -2.10 115.31 113.90 2qee h LEU 134 Ca -0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2qee h LEU 134 Cb 0.32 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2qee h LEU 134 CO 0.03 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.13 2qee n ALA 135 N -2.29 2.27 -3.72 1.53 0.00 0.61 -4.93 120.51 113.99 2qee n ALA 135 Ca 0.04 -0.10 -0.24 0.00 0.00 0.00 0.00 53.44 53.14 2qee n ALA 135 Cb 0.05 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.11 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 -1.45 -3.23 -4.50 0.00 5.15 -0.16 -4.81 115.26 106.26 2qee n ASN 136 Ca 0.08 -0.74 -0.36 0.00 -0.60 0.00 0.00 54.58 52.96 2qee n ASN 136 Cb 0.29 -4.30 -0.12 0.00 -0.53 0.00 0.00 39.78 35.13 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 -3.46 4.49 -0.13 3.44 1.01 -0.44 -0.71 120.40 124.60 2qee s VAL 137 Ca 0.30 -0.12 0.19 0.00 0.00 0.00 0.00 61.98 62.35 2qee s VAL 137 Cb -0.15 -3.08 -0.19 0.00 0.00 0.00 0.00 36.38 32.96 2qee s VAL 137 CO 0.79 0.36 0.62 -1.54 0.00 0.00 0.00 175.10 175.34 2qee n SER 138 N 4.57 0.51 -3.74 3.32 3.41 0.10 -4.70 113.62 117.09 2qee n SER 138 Ca -0.16 0.22 -0.14 0.00 -0.26 0.00 0.00 58.87 58.53 2qee n SER 138 Cb 0.52 0.73 -0.15 0.00 -0.26 0.00 0.00 64.21 65.05 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 -5.43 -0.01 -0.14 4.04 1.01 -1.13 -4.74 116.67 110.27 2qee s ASP 139 Ca -0.05 0.31 -0.00 0.00 0.71 0.00 0.00 52.55 53.52 2qee s ASP 139 Cb 0.09 0.20 -0.01 0.00 1.01 0.00 0.00 42.92 44.22 2qee s ASP 139 CO 0.83 -0.16 -0.14 -0.69 0.21 0.00 0.00 175.17 175.22 2qee s VAL 140 N 1.32 2.87 -0.18 -1.27 1.01 0.20 -0.99 120.40 123.36 2qee s VAL 140 Ca -0.08 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 2qee s VAL 140 Cb -0.12 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 2qee s VAL 140 CO -0.06 0.52 0.18 -0.69 0.00 0.00 0.00 175.10 175.04 2qee s VAL 141 N 0.60 5.39 0.67 2.92 1.01 -0.34 -0.31 120.40 130.33 2qee s VAL 141 Ca -0.08 0.29 -0.00 0.00 0.00 0.00 0.00 61.98 62.19 2qee s VAL 141 Cb -0.16 -3.51 0.09 0.00 0.00 0.00 0.00 36.38 32.81 2qee s VAL 141 CO 0.03 0.44 0.93 -0.04 0.00 0.00 0.00 175.10 176.46 2qee s MET 142 N 0.26 1.97 -0.29 2.72 -1.94 0.76 -1.44 119.30 121.34 2qee s MET 142 Ca 0.11 -0.98 -0.00 0.00 -1.71 0.00 0.00 55.69 53.10 2qee s MET 142 Cb -0.12 -2.38 0.06 0.00 2.01 0.00 0.00 34.83 34.40 2qee s MET 142 CO 0.00 -1.21 -0.02 0.99 -0.01 0.00 0.00 175.02 174.77 2qee s THR 143 N -3.02 2.73 -0.26 2.05 2.01 -1.11 -3.27 115.64 114.78 2qee s THR 143 Ca 0.63 -1.52 -0.04 0.00 0.31 0.00 0.00 61.69 61.07 2qee s THR 143 Cb -0.07 -2.60 0.01 0.00 0.01 0.00 0.00 72.50 69.84 2qee s THR 143 CO 0.42 -0.12 0.00 0.20 -0.69 0.00 0.00 174.62 174.44 2qee s ASN 144 N 1.22 4.64 -0.37 3.53 -0.87 0.02 -4.96 114.94 118.14 2qee s ASN 144 Ca -0.05 -0.63 -0.06 0.00 -1.57 0.00 0.00 52.86 50.54 2qee s ASN 144 Cb -0.20 -1.78 0.06 0.00 -0.02 0.00 0.00 41.25 39.32 2qee s ASN 144 CO -0.03 -0.11 0.16 -0.62 -2.57 0.00 0.00 177.10 173.93 2qee s ASP 145 N 1.45 5.37 0.00 -1.22 -1.08 -1.26 -1.24 116.67 118.69 2qee s ASP 145 Ca 0.03 -1.39 0.19 0.00 -0.52 0.00 0.00 52.55 50.85 2qee s ASP 145 Cb -0.16 -1.89 0.86 0.00 -1.46 0.00 0.00 42.92 40.28 2qee s ASP 145 CO -0.01 -0.42 1.58 -0.81 0.52 0.00 0.00 175.17 176.03 2qee n PRO 146 N 4.80 0.13 0.03 4.34 -0.04 -1.26 -1.82 135.00 141.18 2qee n PRO 146 Ca -0.10 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 2qee n PRO 146 Cb 0.43 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.40 0.29 -2.83 0.54 3.72 -1.26 -4.64 117.46 111.89 2qee n PHE 147 Ca 0.07 0.08 -0.42 0.00 -0.05 0.00 0.00 57.45 57.13 2qee n PHE 147 Cb 0.18 -0.50 -0.04 0.00 -0.94 0.00 0.00 39.48 38.19 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 -3.61 6.82 0.19 4.37 2.15 -0.76 -4.92 116.67 120.92 2qee s ASP 148 Ca 0.09 0.94 -0.11 0.00 0.43 0.00 0.00 52.55 53.91 2qee s ASP 148 Cb 0.16 -2.46 0.22 0.00 -0.30 0.00 0.00 42.92 40.53 2qee s ASP 148 CO 0.68 -0.65 1.75 0.44 -0.17 0.00 0.00 175.17 177.22 2qee h ASP 149 N 7.90 0.23 0.83 -0.34 3.32 -1.87 0.23 116.42 126.72 2qee h ASP 149 Ca -0.22 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 2qee h ASP 149 Cb 1.08 0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.68 2qee h ASP 149 CO 0.92 0.15 -0.42 -1.13 -1.72 0.00 0.00 179.24 177.05 2qee h ASN 150 N 0.41 -1.01 -0.89 6.45 -0.73 -1.95 -2.19 115.58 115.66 2qee h ASN 150 Ca 0.27 0.04 0.18 0.00 1.87 0.00 0.00 56.30 58.66 2qee h ASN 150 Cb 0.29 0.27 -0.11 0.00 0.27 0.00 0.00 38.32 39.05 2qee h ASN 150 CO -0.26 -0.70 0.46 -0.33 -0.37 0.00 0.00 177.43 176.23 2qee h GLU 151 N -1.14 0.56 -0.96 6.67 5.08 -1.76 -0.67 114.58 122.35 2qee h GLU 151 Ca -0.11 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2qee h GLU 151 Cb 0.88 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 2qee h GLU 151 CO 0.17 0.37 0.63 -0.09 -1.00 0.00 0.00 179.01 179.09 2qee h ARG 152 N 0.57 1.20 -0.54 2.33 2.43 -0.41 -2.83 114.38 117.14 2qee h ARG 152 Ca 0.52 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.67 2qee h ARG 152 Cb 0.84 -0.27 -0.08 0.00 -0.42 0.00 0.00 29.97 30.04 2qee h ARG 152 CO -0.42 0.80 -0.50 0.82 -1.51 0.00 0.00 179.97 179.15 2qee h ILE 153 N 1.24 0.00 -0.83 1.20 2.04 -0.46 -1.63 117.51 119.08 2qee h ILE 153 Ca 0.38 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.26 2qee h ILE 153 Cb -0.04 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.00 2qee h ILE 153 CO -0.11 0.00 0.54 0.77 0.00 0.00 0.00 178.15 179.35 2qee h SER 154 N -0.23 0.91 -0.70 1.72 4.64 -1.52 0.22 113.55 118.59 2qee h SER 154 Ca 0.09 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 2qee h SER 154 Cb 0.47 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 2qee h SER 154 CO -0.63 0.65 0.26 -0.50 -0.87 0.00 0.00 176.83 175.74 2qee h TRP 155 N 1.08 1.10 -0.23 4.77 4.06 -1.45 -1.93 115.95 123.35 2qee h TRP 155 Ca 0.32 -0.09 -0.16 0.00 2.06 0.00 0.00 58.89 61.02 2qee h TRP 155 Cb -0.06 -0.33 0.00 0.00 -1.00 0.00 0.00 29.16 27.77 2qee h TRP 155 CO -0.02 0.85 -0.49 -0.07 -3.56 0.00 0.00 178.44 175.16 2qee h LEU 156 N 1.05 0.82 -0.73 -4.49 3.38 -0.36 -2.96 115.31 112.02 2qee h LEU 156 Ca 0.24 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2qee h LEU 156 Cb 0.24 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qee h LEU 156 CO -0.02 1.22 0.00 -0.62 0.09 0.00 0.00 178.44 179.12 2qee n GLU 157 N -4.13 0.69 0.00 1.13 1.02 0.68 -4.87 120.64 115.16 2qee n GLU 157 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2qee n GLU 157 Cb 0.59 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 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 0.16 1.95 3.68 0.62 0.00 -1.07 -4.99 105.19 105.54 2qee n GLY 158 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2qee n GLY 158 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qee n LYS 159 N -2.00 2.30 -4.17 1.61 5.02 -0.75 -5.00 118.16 115.16 2qee n LYS 159 Ca 0.00 0.83 -0.36 0.00 -2.02 0.00 0.00 58.31 56.76 2qee n LYS 159 Cb 0.00 -2.62 -0.08 0.00 -0.02 0.00 0.00 35.03 32.31 2qee n LYS 159 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2qee s GLN 160 N 1.00 3.17 0.61 1.97 -1.52 -1.26 -4.68 119.66 118.94 2qee s GLN 160 Ca 0.78 -0.30 -0.17 0.00 -1.95 0.00 0.00 55.36 53.73 2qee s GLN 160 Cb -0.64 -2.95 -0.02 0.00 -0.22 0.00 0.00 33.01 29.17 2qee s GLN 160 CO 0.37 0.73 1.12 -1.25 -0.25 0.00 0.00 175.29 176.01 2qee s PRO 161 N -0.96 3.02 0.26 2.91 0.04 -1.26 -4.95 135.00 134.05 2qee s PRO 161 Ca 0.14 1.48 -0.27 0.00 0.04 0.00 0.00 61.00 62.40 2qee s PRO 161 Cb -0.12 -1.97 -0.16 0.00 0.04 0.00 0.00 34.50 32.29 2qee s PRO 161 CO 0.03 -1.10 0.58 -3.47 0.04 0.00 0.00 177.00 173.09 2qee n ASP 162 N -1.97 -0.85 0.09 6.66 -0.08 -1.26 -4.84 116.55 114.29 2qee n ASP 162 Ca 0.11 1.09 0.08 0.00 -1.51 0.00 0.00 54.79 54.56 2qee n ASP 162 Cb 0.52 -1.03 0.37 0.00 2.34 0.00 0.00 41.12 43.32 2qee n ASP 162 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2qee n SER 163 N 1.81 0.35 0.02 1.67 3.41 -1.26 -0.90 113.62 118.73 2qee n SER 163 Ca 0.15 0.63 0.14 0.00 -0.26 0.00 0.00 58.87 59.52 2qee n SER 163 Cb 0.29 -0.69 0.54 0.00 -0.26 0.00 0.00 64.21 64.10 2qee n SER 163 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qee n ARG 164 N -1.93 0.06 -4.00 4.33 1.74 -1.26 -4.77 116.66 110.83 2qee n ARG 164 Ca 0.01 0.04 -0.35 0.00 -0.77 0.00 0.00 57.85 56.78 2qee n ARG 164 Cb 0.10 -1.57 -0.13 0.00 -1.02 0.00 0.00 32.46 29.84 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 -3.02 3.02 0.02 -1.55 0.08 -0.07 -0.63 117.98 115.83 2qee s PHE 165 Ca 0.13 -0.57 0.02 0.00 0.12 0.00 0.00 56.93 56.64 2qee s PHE 165 Cb 0.17 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.48 2qee s PHE 165 CO 0.56 -0.33 -0.00 -1.01 -0.10 0.00 0.00 175.22 174.34 2qee s HIS 166 N 1.20 3.04 0.29 0.36 3.76 0.57 -4.70 115.29 119.81 2qee s HIS 166 Ca 0.03 0.05 -0.10 0.00 -0.15 0.00 0.00 55.06 54.88 2qee s HIS 166 Cb -0.15 -1.63 -0.07 0.00 1.11 0.00 0.00 32.58 31.84 2qee s HIS 166 CO 0.01 0.46 0.63 0.00 -0.85 0.00 0.00 174.74 174.99 2qee s ALA 167 N -1.14 3.49 -0.02 -1.40 0.00 -1.26 -0.17 121.76 121.26 2qee s ALA 167 Ca 0.21 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.94 2qee s ALA 167 Cb -0.12 -2.53 0.01 0.00 0.00 0.00 0.00 23.12 20.48 2qee s ALA 167 CO 0.12 0.35 -0.03 0.00 0.00 0.00 0.00 175.76 176.20 2qee s ALA 168 N -1.98 0.36 -0.46 0.00 0.00 -1.20 -0.47 121.76 118.00 2qee s ALA 168 Ca 0.49 -0.05 -0.22 0.00 0.00 0.00 0.00 51.96 52.18 2qee s ALA 168 Cb -0.11 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.85 2qee s ALA 168 CO 0.23 0.03 0.71 -1.17 0.00 0.00 0.00 175.76 175.56 2qee s LEU 169 N 0.35 4.43 -0.06 0.00 2.96 -0.73 -0.80 118.68 124.84 2qee s LEU 169 Ca -0.04 -0.33 -0.22 0.00 -0.22 0.00 0.00 54.13 53.33 2qee s LEU 169 Cb -0.07 -2.78 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 2qee s LEU 169 CO -0.01 -0.88 0.65 -0.60 -1.32 0.00 0.00 176.35 174.20 2qee s ARG 170 N 3.05 4.41 -0.04 1.98 3.52 -0.37 -0.77 118.95 130.74 2qee s ARG 170 Ca 0.25 0.79 0.05 0.00 -0.13 0.00 0.00 55.73 56.69 2qee s ARG 170 Cb -0.14 -3.43 0.08 0.00 -1.56 0.00 0.00 34.95 29.90 2qee s ARG 170 CO 0.19 0.13 0.96 1.28 -0.81 0.00 0.00 175.30 177.06 2qee n LEU 171 N 3.59 1.61 -0.18 -0.88 4.77 -0.28 -4.42 117.00 121.20 2qee n LEU 171 Ca -0.03 -1.90 -0.01 0.00 -0.03 0.00 0.00 56.01 54.04 2qee n LEU 171 Cb 0.51 -0.12 0.08 0.00 -2.33 0.00 0.00 43.42 41.56 2qee n LEU 171 CO 0.46 0.46 0.83 0.44 -1.33 0.00 0.00 177.39 178.25 2qee h ASP 172 N 0.00 -0.25 -0.44 -1.43 5.19 -1.94 -1.42 116.42 116.13 2qee h ASP 172 Ca 0.00 0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.52 2qee h ASP 172 Cb 0.80 0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.53 2qee h ASP 172 CO 0.00 -0.10 0.19 -0.65 -3.12 0.00 0.00 179.24 175.57 2qee h PRO 173 N 0.11 0.69 0.06 3.56 0.11 -1.94 0.15 132.00 134.74 2qee h PRO 173 Ca 0.29 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 2qee h PRO 173 Cb 0.45 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.43 2qee h PRO 173 CO -0.48 0.57 -0.03 1.25 -0.21 0.00 0.00 178.00 179.11 2qee h LEU 174 N 0.69 -0.06 0.07 2.35 5.85 -1.64 -2.16 115.31 120.40 2qee h LEU 174 Ca 0.17 -0.25 -0.28 0.00 0.84 0.00 0.00 57.88 58.36 2qee h LEU 174 Cb 0.14 0.02 0.02 0.00 0.37 0.00 0.00 40.66 41.20 2qee h LEU 174 CO -0.02 0.21 -1.20 -0.07 -0.34 0.00 0.00 178.44 177.03 2qee h LEU 175 N -0.35 0.70 0.00 2.25 4.07 -0.97 -3.27 115.31 117.75 2qee h LEU 175 Ca -0.01 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 57.30 2qee h LEU 175 Cb 0.31 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.83 2qee h LEU 175 CO 0.01 1.48 -1.69 0.59 -1.08 0.00 0.00 178.44 177.75 2qee n ASN 176 N -3.72 0.85 -2.55 -0.43 3.02 0.51 -3.62 115.26 109.33 2qee n ASN 176 Ca -0.11 -0.13 -0.07 0.00 -0.03 0.00 0.00 54.58 54.23 2qee n ASN 176 Cb 0.97 1.71 0.04 0.00 -0.61 0.00 0.00 39.78 41.90 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 -2.03 2.29 0.04 3.52 1.02 -0.82 -4.93 120.64 119.73 2qee n GLU 177 Ca -0.02 -3.69 0.01 0.00 -0.02 0.00 0.00 57.16 53.44 2qee n GLU 177 Cb 0.44 -1.79 0.35 0.00 -0.02 0.00 0.00 31.44 30.42 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 2.44 0.45 0.00 -0.32 3.20 -1.58 -0.11 116.97 121.04 2qee h TYR 178 Ca 0.02 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 2qee h TYR 178 Cb 1.36 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 2qee h TYR 178 CO 0.61 0.44 -0.25 0.93 -1.64 0.00 0.00 178.16 178.25 2qee h GLU 179 N 0.43 0.00 0.11 1.82 4.39 -1.90 0.32 114.58 119.74 2qee h GLU 179 Ca 0.10 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.49 2qee h GLU 179 Cb 0.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2qee h GLU 179 CO 0.01 0.25 -1.53 1.96 -1.16 0.00 0.00 179.01 178.54 2qee h GLN 180 N 0.00 0.23 0.00 2.33 7.50 -1.79 -3.38 115.11 120.00 2qee h GLN 180 Ca -0.00 -0.39 -0.08 0.00 0.50 0.00 0.00 58.65 58.69 2qee h GLN 180 Cb 0.45 0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.11 2qee h GLN 180 CO 0.03 1.08 -0.36 1.15 -1.50 0.00 0.00 178.83 179.23 2qee h THR 181 N 0.06 0.64 -0.52 -0.54 2.02 -0.47 -3.20 112.91 110.91 2qee h THR 181 Ca -0.24 -1.79 0.12 0.00 0.77 0.00 0.00 66.41 65.27 2qee h THR 181 Cb 2.00 2.23 -0.03 0.00 -1.74 0.00 0.00 68.15 70.61 2qee h THR 181 CO 0.15 0.35 0.36 0.07 0.37 0.00 0.00 175.52 176.82 2qee h LYS 182 N 0.00 0.16 -0.20 6.66 2.10 -0.57 -1.63 116.57 123.09 2qee h LYS 182 Ca -0.00 -0.01 -0.10 0.00 -2.00 0.00 0.00 60.65 58.54 2qee h LYS 182 Cb 1.20 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2qee h LYS 182 CO 0.05 0.10 -0.25 0.45 -2.00 0.00 0.00 179.45 177.80 2qee h HIS 183 N 0.16 0.64 -0.61 0.07 3.86 -1.81 -2.05 115.15 115.42 2qee h HIS 183 Ca 0.24 -0.21 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2qee h HIS 183 Cb 0.75 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.06 2qee h HIS 183 CO -0.00 0.90 0.40 0.00 0.86 0.00 0.00 177.93 180.10 2qee h ARG 184 N 0.19 0.77 0.20 2.45 3.08 -1.56 -1.68 114.38 117.83 2qee h ARG 184 Ca 0.02 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2qee h ARG 184 Cb 0.82 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2qee h ARG 184 CO 0.06 0.51 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.31 2qee h LEU 185 N 0.80 -0.23 -0.70 3.04 3.38 -1.10 -1.44 115.31 119.06 2qee h LEU 185 Ca 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2qee h LEU 185 Cb -0.05 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2qee h LEU 185 CO -0.05 0.05 0.31 0.08 0.09 0.00 0.00 178.44 178.92 2qee h ARG 186 N -0.51 1.03 -0.88 1.13 0.11 -1.12 0.80 114.38 114.93 2qee h ARG 186 Ca -0.03 -0.17 0.24 0.00 0.10 0.00 0.00 59.98 60.12 2qee h ARG 186 Cb 0.39 -0.18 -0.14 0.00 1.11 0.00 0.00 29.97 31.15 2qee h ARG 186 CO 0.04 0.83 0.27 0.22 0.10 0.00 0.00 179.97 181.44 2qee h ASP 187 N 0.99 0.07 -0.22 0.08 -0.00 -1.30 0.91 116.42 116.95 2qee h ASP 187 Ca 0.24 0.19 0.00 0.00 -0.00 0.00 0.00 57.03 57.46 2qee h ASP 187 Cb 0.16 0.24 0.00 0.00 -0.00 0.00 0.00 39.33 39.74 2qee h ASP 187 CO -0.02 -0.14 0.00 0.79 -0.00 0.00 0.00 179.24 179.87 2qee n TRP 188 N -5.19 0.29 -0.35 0.28 8.01 -0.51 -4.88 117.44 115.08 2qee n TRP 188 Ca 0.22 -0.15 0.00 0.00 -1.31 0.00 0.00 57.50 56.26 2qee n TRP 188 Cb 0.69 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.99 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 0.85 0.82 3.47 6.99 0.00 0.31 -5.04 105.19 112.60 2qee n GLY 189 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.04 3.16 -1.27 1.61 2.02 0.16 -4.96 117.35 116.03 2qee s TYR 190 Ca 0.00 -0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 56.16 2qee s TYR 190 Cb 0.00 -3.00 0.15 0.00 -0.40 0.00 0.00 41.96 38.71 2qee s TYR 190 CO 0.00 -0.75 1.73 1.63 -1.57 0.00 0.00 175.55 176.59 2qee n LYS 191 N 5.66 3.43 -3.00 -0.62 4.76 -1.26 -2.61 118.16 124.52 2qee n LYS 191 Ca -0.07 -3.56 -0.40 0.00 -2.87 0.00 0.00 58.31 51.41 2qee n LYS 191 Cb 0.47 -3.04 -0.05 0.00 -1.84 0.00 0.00 35.03 30.56 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 1.35 4.69 0.37 -0.18 -7.23 -1.26 -4.51 120.40 113.63 2qee s VAL 192 Ca 0.43 1.61 -0.01 0.00 -1.81 0.00 0.00 61.98 62.19 2qee s VAL 192 Cb 0.05 -4.10 -0.03 0.00 0.56 0.00 0.00 36.38 32.85 2qee s VAL 192 CO 0.00 0.39 0.60 0.20 -0.31 0.00 0.00 175.10 175.98 2qee s ASN 193 N -0.23 6.30 0.31 4.85 0.02 -1.26 -4.95 114.94 119.97 2qee s ASN 193 Ca 0.37 0.57 0.02 0.00 -1.02 0.00 0.00 52.86 52.80 2qee s ASN 193 Cb -0.21 -2.08 0.57 0.00 0.02 0.00 0.00 41.25 39.55 2qee s ASN 193 CO 0.23 -0.35 1.91 0.44 0.02 0.00 0.00 177.10 179.35 2qee h ASP 194 N 0.70 0.86 -3.52 -1.22 3.32 -2.03 -3.41 116.42 111.13 2qee h ASP 194 Ca -0.49 0.01 -0.53 0.00 0.02 0.00 0.00 57.03 56.04 2qee h ASP 194 Cb 1.21 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 2qee h ASP 194 CO 0.62 0.55 0.31 -0.70 -1.72 0.00 0.00 179.24 178.29 2qee s GLU 195 N -5.87 4.63 -1.20 3.56 2.12 -1.26 -4.96 118.70 115.73 2qee s GLU 195 Ca -0.11 1.34 -0.21 0.00 0.36 0.00 0.00 54.97 56.35 2qee s GLU 195 Cb 0.20 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 2qee s GLU 195 CO 0.80 0.21 1.82 -0.46 -0.54 0.00 0.00 175.26 177.09 2qee s TRP 196 N 0.07 2.31 0.13 5.30 -0.11 -1.26 -4.71 118.94 120.68 2qee s TRP 196 Ca 0.45 -0.45 0.00 0.00 1.22 0.00 0.00 56.10 57.32 2qee s TRP 196 Cb -0.22 -4.36 0.00 0.00 -1.50 0.00 0.00 33.47 27.39 2qee s TRP 196 CO 0.28 -1.54 0.01 0.27 -4.62 0.00 0.00 176.95 171.35 2qee n ASN 197 N 11.57 2.28 -0.21 5.86 0.23 -1.26 -4.96 115.26 128.77 2qee n ASN 197 Ca 0.45 -1.57 -0.06 0.00 -0.53 0.00 0.00 54.58 52.87 2qee n ASN 197 Cb 0.47 0.08 0.04 0.00 -2.08 0.00 0.00 39.78 38.29 2qee n ASN 197 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2qee h GLU 198 N 0.00 0.78 -0.40 -3.83 4.39 -1.99 -0.82 114.58 112.71 2qee h GLU 198 Ca -0.11 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.62 2qee h GLU 198 Cb 0.33 -0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 28.74 2qee h GLU 198 CO 0.18 0.51 0.01 0.78 -1.16 0.00 0.00 179.01 179.33 2qee h GLY 199 N 0.80 0.41 0.98 -3.84 0.00 -1.94 0.29 103.07 99.76 2qee h GLY 199 Ca 0.22 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 2qee h GLY 199 CO -0.05 -0.10 0.11 1.76 0.00 0.00 0.00 176.54 178.26 2qee h SER 200 N 0.11 0.21 -0.07 0.19 0.02 -1.68 -0.53 113.55 111.80 2qee h SER 200 Ca 0.20 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 2qee h SER 200 Cb 0.28 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2qee h SER 200 CO -0.33 0.18 -0.04 0.40 -1.14 0.00 0.00 176.83 175.90 2qee h ILE 201 N 0.21 0.86 -0.95 3.27 2.04 -0.80 -1.71 117.51 120.44 2qee h ILE 201 Ca 0.06 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.98 2qee h ILE 201 Cb 0.01 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 2qee h ILE 201 CO -0.01 0.00 0.61 1.56 0.00 0.00 0.00 178.15 180.31 2qee h GLN 202 N -0.05 1.10 -0.06 2.37 1.08 -0.23 -1.42 115.11 117.91 2qee h GLN 202 Ca 0.05 -0.07 -0.21 0.00 -1.45 0.00 0.00 58.65 56.97 2qee h GLN 202 Cb 0.11 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 2qee h GLN 202 CO -0.10 0.73 -0.83 0.93 -0.95 0.00 0.00 178.83 178.60 2qee h GLU 203 N 1.13 0.50 -0.34 1.46 4.39 -0.92 -0.29 114.58 120.51 2qee h GLU 203 Ca 0.40 -0.46 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 2qee h GLU 203 Cb 0.11 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2qee h GLU 203 CO -0.15 1.10 0.07 0.28 -1.16 0.00 0.00 179.01 179.14 2qee h VAL 204 N 0.32 1.23 -0.86 3.13 2.07 -1.21 -0.39 116.25 120.54 2qee h VAL 204 Ca -0.06 -0.79 0.09 0.00 0.82 0.00 0.00 66.70 66.76 2qee h VAL 204 Cb 1.45 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 32.25 2qee h VAL 204 CO 0.15 0.27 0.56 0.11 0.02 0.00 0.00 177.57 178.67 2qee h LYS 205 N 0.40 0.84 -0.32 1.57 1.57 -1.15 -1.15 116.57 118.33 2qee h LYS 205 Ca 0.11 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 2qee h LYS 205 Cb 0.33 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2qee h LYS 205 CO 0.00 0.56 -0.12 -0.09 -0.57 0.00 0.00 179.45 179.23 2qee h ARG 206 N 0.87 0.64 -0.42 3.15 2.43 -0.53 0.21 114.38 120.73 2qee h ARG 206 Ca 0.39 -0.26 0.08 0.00 -0.81 0.00 0.00 59.98 59.37 2qee h ARG 206 Cb 0.36 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.82 2qee h ARG 206 CO -0.16 0.84 -0.01 0.35 -1.51 0.00 0.00 179.97 179.48 2qee h PHE 207 N 0.41 -0.05 -0.16 2.20 3.57 -0.58 0.16 116.94 122.49 2qee h PHE 207 Ca 0.08 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2qee h PHE 207 Cb 0.63 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 2qee h PHE 207 CO 0.06 -0.10 0.09 -0.07 -2.23 0.00 0.00 178.31 176.06 2qee h LEU 208 N 0.09 0.19 -0.93 0.59 3.38 -0.84 -2.32 115.31 115.48 2qee h LEU 208 Ca 0.21 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2qee h LEU 208 Cb 0.30 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2qee h LEU 208 CO -0.36 0.19 0.37 0.74 0.09 0.00 0.00 178.44 179.48 2qee h THR 209 N 0.17 1.25 -0.17 0.22 2.02 -0.50 0.10 112.91 116.00 2qee h THR 209 Ca 0.06 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 2qee h THR 209 Cb 0.04 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 2qee h THR 209 CO -0.01 0.30 0.10 0.44 0.37 0.00 0.00 175.52 176.72 2qee h ASP 210 N 1.13 0.21 0.06 4.18 3.32 -0.56 0.03 116.42 124.80 2qee h ASP 210 Ca 0.27 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 2qee h ASP 210 Cb 0.12 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2qee h ASP 210 CO -0.03 0.22 -0.36 -0.50 -1.72 0.00 0.00 179.24 176.85 2qee h TRP 211 N 0.19 0.47 -0.64 4.55 4.06 -1.03 -0.19 115.95 123.36 2qee h TRP 211 Ca 0.06 -0.12 -0.00 0.00 2.06 0.00 0.00 58.89 60.89 2qee h TRP 211 Cb 0.05 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.07 2qee h TRP 211 CO -0.05 0.71 0.39 0.82 -3.56 0.00 0.00 178.44 176.76 2qee h ILE 212 N 0.35 1.18 -0.49 1.49 2.04 -0.63 0.19 117.51 121.64 2qee h ILE 212 Ca 0.04 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 2qee h ILE 212 Cb 0.79 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2qee h ILE 212 CO 0.06 0.19 0.20 -0.08 0.00 0.00 0.00 178.15 178.52 2qee h GLU 213 N 0.86 0.73 -0.26 2.37 4.81 -0.66 -1.05 114.58 121.37 2qee h GLU 213 Ca 0.23 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 2qee h GLU 213 Cb -0.04 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 2qee h GLU 213 CO -0.04 0.64 -0.21 -0.09 -0.73 0.00 0.00 179.01 178.58 2qee h ARG 214 N 0.65 0.60 0.00 1.92 2.43 -0.69 -3.36 114.38 115.93 2qee h ARG 214 Ca 0.16 -0.30 -0.07 0.00 -0.81 0.00 0.00 59.98 58.96 2qee h ARG 214 Cb 0.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2qee h ARG 214 CO -0.01 0.88 -1.65 -1.33 -1.51 0.00 0.00 179.97 176.35 2qee n MET 215 N -4.38 0.64 -3.83 0.20 2.81 0.65 -5.00 117.12 108.21 2qee n MET 215 Ca -0.04 -0.01 -0.36 0.00 -1.81 0.00 0.00 57.70 55.48 2qee n MET 215 Cb 0.41 -1.66 0.03 0.00 -0.71 0.00 0.00 33.22 31.29 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 -2.55 -4.90 -4.78 7.83 2.03 -0.41 -4.57 116.55 109.21 2qee n ASP 216 Ca -0.07 -1.09 -0.37 0.00 0.52 0.00 0.00 54.79 53.77 2qee n ASP 216 Cb 0.68 -2.54 -0.03 0.00 -0.72 0.00 0.00 41.12 38.51 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 -6.34 4.09 0.47 -0.67 0.04 -1.26 -4.60 135.00 126.73 2qee s PRO 217 Ca 0.41 1.64 0.26 0.00 0.04 0.00 0.00 61.00 63.35 2qee s PRO 217 Cb -0.19 -2.58 0.92 0.00 0.04 0.00 0.00 34.50 32.70 2qee s PRO 217 CO 0.91 -0.23 1.82 -0.39 0.04 0.00 0.00 177.00 179.14 2qee h VAL 218 N 2.20 0.31 -2.59 -0.36 -1.51 -1.12 -3.47 116.25 109.71 2qee h VAL 218 Ca -0.48 -0.98 0.08 0.00 -1.23 0.00 0.00 66.70 64.08 2qee h VAL 218 Cb 1.22 1.76 -0.12 0.00 -2.13 0.00 0.00 31.29 32.03 2qee h VAL 218 CO 0.62 0.14 0.38 -0.72 -1.23 0.00 0.00 177.57 176.75 2qee s TYR 219 N -3.54 -0.35 -0.06 5.19 -0.85 -1.26 -4.33 117.35 112.15 2qee s TYR 219 Ca 0.02 0.12 -0.01 0.00 -0.52 0.00 0.00 57.07 56.68 2qee s TYR 219 Cb 0.09 0.58 -0.03 0.00 0.38 0.00 0.00 41.96 42.98 2qee s TYR 219 CO 0.62 -0.76 0.02 -1.64 -1.52 0.00 0.00 175.55 172.26 2qee s MET 220 N -3.43 2.99 0.09 -3.49 -1.94 -0.52 -1.77 119.30 111.22 2qee s MET 220 Ca 0.06 -0.43 0.05 0.00 -1.71 0.00 0.00 55.69 53.65 2qee s MET 220 Cb -0.02 -2.81 -0.03 0.00 2.01 0.00 0.00 34.83 33.99 2qee s MET 220 CO -0.06 0.69 -0.12 0.00 -0.01 0.00 0.00 175.02 175.51 2qee s ALA 221 N -0.97 1.15 -0.08 3.03 0.00 0.06 0.48 121.76 125.42 2qee s ALA 221 Ca 0.16 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 2qee s ALA 221 Cb -0.11 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.00 2qee s ALA 221 CO 0.05 0.07 0.40 0.54 0.00 0.00 0.00 175.76 176.82 2qee s VAL 222 N -1.81 0.02 -0.06 0.00 0.11 -0.54 -1.13 120.40 116.99 2qee s VAL 222 Ca 0.01 -0.20 -0.02 0.00 -2.93 0.00 0.00 61.98 58.84 2qee s VAL 222 Cb -0.07 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 2qee s VAL 222 CO 0.02 -0.11 0.05 -0.94 -3.33 0.00 0.00 175.10 170.78 2qee s SER 223 N -0.58 5.56 0.02 3.54 1.04 -1.26 -0.83 113.70 121.20 2qee s SER 223 Ca -0.07 0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.57 2qee s SER 223 Cb -0.04 -1.62 -0.02 0.00 0.10 0.00 0.00 66.02 64.45 2qee s SER 223 CO 0.03 0.35 -0.06 -0.76 0.98 0.00 0.00 173.24 173.78 2qee s LEU 224 N -1.20 2.18 0.81 2.42 1.43 0.52 -4.93 118.68 119.91 2qee s LEU 224 Ca 0.17 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 2qee s LEU 224 Cb -0.12 -0.12 0.08 0.00 0.03 0.00 0.00 46.19 46.06 2qee s LEU 224 CO 0.06 -0.15 1.17 -2.16 0.23 0.00 0.00 176.35 175.51 2qee s PRO 225 N -1.11 2.00 0.53 1.29 0.04 -1.26 0.49 135.00 136.99 2qee s PRO 225 Ca -0.08 0.15 0.23 0.00 0.04 0.00 0.00 61.00 61.34 2qee s PRO 225 Cb -0.07 -1.95 1.39 0.00 0.04 0.00 0.00 34.50 33.90 2qee s PRO 225 CO -0.00 -1.58 2.06 -1.35 0.04 0.00 0.00 177.00 176.17 2qee h PRO 226 N -1.04 0.00 -0.00 0.56 0.11 -1.76 -1.57 132.00 128.29 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 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2qee h PRO 226 CO 0.66 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.70 2qee n THR 227 N -4.36 0.00 -1.65 -1.15 -2.24 -1.26 -4.00 114.28 99.62 2qee n THR 227 Ca 0.04 -0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.31 2qee n THR 227 Cb 0.40 -0.46 -0.05 0.00 -2.10 0.00 0.00 70.33 68.11 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 -0.96 1.95 -4.01 4.78 7.35 -0.59 -4.97 117.46 121.00 2qee n PHE 228 Ca 0.23 0.42 -0.09 0.00 -0.76 0.00 0.00 57.45 57.24 2qee n PHE 228 Cb 0.11 -2.47 -0.11 0.00 0.35 0.00 0.00 39.48 37.36 2qee n PHE 228 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2qee s SER 229 N 1.70 0.40 -0.27 -2.13 1.04 -1.26 -4.70 113.70 108.48 2qee s SER 229 Ca 0.87 -0.59 -0.19 0.00 0.48 0.00 0.00 55.95 56.52 2qee s SER 229 Cb -0.86 0.10 0.07 0.00 0.10 0.00 0.00 66.02 65.44 2qee s SER 229 CO 0.48 -0.33 0.68 0.12 0.98 0.00 0.00 173.24 175.17 2qee s PHE 230 N -1.84 -0.92 0.84 5.02 2.19 -1.26 -4.44 117.98 117.57 2qee s PHE 230 Ca -0.11 1.98 -0.11 0.00 0.33 0.00 0.00 56.93 59.03 2qee s PHE 230 Cb -0.07 0.47 0.10 0.00 -1.31 0.00 0.00 43.02 42.20 2qee s PHE 230 CO -0.02 -0.45 1.10 -2.14 1.83 0.00 0.00 175.22 175.54 2qee s PRO 231 N 1.11 1.69 -0.21 10.12 0.02 -1.26 -4.18 135.00 142.29 2qee s PRO 231 Ca -0.06 1.21 -0.14 0.00 0.02 0.00 0.00 61.00 62.03 2qee s PRO 231 Cb -0.05 -1.83 0.06 0.00 0.02 0.00 0.00 34.50 32.70 2qee s PRO 231 CO -0.11 -2.05 0.52 -2.00 -0.33 0.00 0.00 177.00 173.03 2qee s GLU 232 N -4.83 0.55 -1.32 5.54 2.12 -1.26 -5.06 118.70 114.44 2qee s GLU 232 Ca 0.63 0.89 -0.17 0.00 0.36 0.00 0.00 54.97 56.68 2qee s GLU 232 Cb -0.19 0.12 0.07 0.00 0.26 0.00 0.00 34.13 34.39 2qee s GLU 232 CO 0.57 -0.13 1.79 0.39 -0.54 0.00 0.00 175.26 177.34 2qee n GLU 233 N 3.85 3.16 -4.10 4.30 -0.58 -1.26 -3.84 120.64 122.16 2qee n GLU 233 Ca -0.20 -3.21 -0.11 0.00 -0.42 0.00 0.00 57.16 53.22 2qee n GLU 233 Cb 0.57 -3.47 -0.07 0.00 -0.57 0.00 0.00 31.44 27.90 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 4.07 0.18 0.16 1.62 1.04 -1.26 -5.00 113.70 114.52 2qee s SER 234 Ca 0.53 -1.21 -0.13 0.00 0.48 0.00 0.00 55.95 55.61 2qee s SER 234 Cb 0.05 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.73 2qee s SER 234 CO 0.06 -1.03 1.75 0.78 0.98 0.00 0.00 173.24 175.78 2qee h ASN 235 N 2.39 0.70 -0.39 7.02 2.35 -1.91 -1.76 115.58 123.98 2qee h ASN 235 Ca -0.30 -0.12 0.05 0.00 -0.55 0.00 0.00 56.30 55.37 2qee h ASN 235 Cb 1.25 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 39.39 2qee h ASN 235 CO 0.43 0.63 0.11 -0.09 -1.65 0.00 0.00 177.43 176.85 2qee h ARG 236 N 0.72 0.24 -0.88 0.81 2.43 -1.90 -0.85 114.38 114.95 2qee h ARG 236 Ca 0.19 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2qee h ARG 236 Cb 0.11 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 2qee h ARG 236 CO -0.02 0.16 0.51 0.78 -1.51 0.00 0.00 179.97 179.88 2qee h GLY 237 N 0.25 1.30 1.39 2.80 0.00 -1.61 -1.54 103.07 105.66 2qee h GLY 237 Ca 0.18 -0.57 -0.25 0.00 0.00 0.00 0.00 47.33 46.70 2qee h GLY 237 CO -0.21 0.55 -1.01 3.21 0.00 0.00 0.00 176.54 179.07 2qee h ARG 238 N 1.23 0.54 -0.31 4.80 3.08 -1.04 -2.25 114.38 120.43 2qee h ARG 238 Ca 0.31 -0.60 -0.07 0.00 0.07 0.00 0.00 59.98 59.70 2qee h ARG 238 Cb -0.01 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2qee h ARG 238 CO -0.05 1.22 -0.07 0.82 -1.07 0.00 0.00 179.97 180.82 2qee h ILE 239 N 0.30 1.28 0.05 2.04 2.04 -1.04 0.13 117.51 122.31 2qee h ILE 239 Ca -0.11 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 64.66 2qee h ILE 239 Cb 1.66 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 2qee h ILE 239 CO 0.19 0.35 -0.10 0.40 0.00 0.00 0.00 178.15 178.99 2qee h ILE 240 N 0.36 0.75 -0.16 -0.67 2.04 -1.34 0.95 117.51 119.44 2qee h ILE 240 Ca 0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 2qee h ILE 240 Cb 0.55 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2qee h ILE 240 CO 0.03 0.00 0.07 -0.09 0.00 0.00 0.00 178.15 178.16 2qee h ARG 241 N -0.20 0.22 0.00 2.37 2.43 -1.28 -1.82 114.38 116.10 2qee h ARG 241 Ca 0.02 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 2qee h ARG 241 Cb 0.22 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2qee h ARG 241 CO -0.07 0.27 -1.70 -0.25 -1.51 0.00 0.00 179.97 176.71 2qee n ASP 242 N -4.90 0.43 0.03 -3.80 8.00 0.46 -4.46 116.55 112.31 2qee n ASP 242 Ca -0.04 0.18 -0.01 0.00 0.71 0.00 0.00 54.79 55.62 2qee n ASP 242 Cb 0.09 0.95 -0.00 0.00 -0.02 0.00 0.00 41.12 42.14 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 -0.08 -0.13 0.23 0.00 7.12 -1.01 -2.45 115.31 118.99 2qee h LEU 244 Ca -0.01 -0.24 -0.01 0.00 0.13 0.00 0.00 57.88 57.75 2qee h LEU 244 Cb 0.22 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.38 2qee h LEU 244 CO -0.00 0.17 -0.11 -0.07 -0.13 0.00 0.00 178.44 178.30 2qee h LEU 245 N -0.44 -0.26 -0.56 2.25 3.38 -1.57 0.24 115.31 118.35 2qee h LEU 245 Ca -0.02 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 57.98 2qee h LEU 245 Cb 0.36 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.09 2qee h LEU 245 CO 0.03 -0.07 0.05 -0.65 0.09 0.00 0.00 178.44 177.88 2qee h PRO 246 N -0.44 0.16 -0.28 1.13 0.11 -1.78 0.18 132.00 131.08 2qee h PRO 246 Ca -0.03 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 2qee h PRO 246 Cb 0.33 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 2qee h PRO 246 CO 0.05 0.11 0.16 0.28 -0.21 0.00 0.00 178.00 178.38 2qee h VAL 247 N 0.17 1.12 -0.59 3.15 2.07 -1.15 -1.09 116.25 119.93 2qee h VAL 247 Ca 0.29 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.51 2qee h VAL 247 Cb 0.45 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2qee h VAL 247 CO -0.44 0.12 0.37 0.00 0.02 0.00 0.00 177.57 177.65 2qee h ALA 248 N 1.03 0.76 -0.17 1.67 0.00 0.09 -0.80 119.26 121.84 2qee h ALA 248 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qee h ALA 248 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2qee h ALA 248 CO -0.02 0.13 0.11 1.49 0.00 0.00 0.00 179.25 180.96 2qee h GLU 249 N 0.75 0.22 -0.96 0.00 4.81 -0.47 0.33 114.58 119.26 2qee h GLU 249 Ca 0.23 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 2qee h GLU 249 Cb -0.02 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 2qee h GLU 249 CO -0.08 0.17 0.63 -0.22 -0.73 0.00 0.00 179.01 178.78 2qee h LYS 250 N 0.22 1.27 -0.01 1.92 3.64 -0.76 -2.10 116.57 120.74 2qee h LYS 250 Ca 0.06 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2qee h LYS 250 Cb -0.01 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.53 2qee h LYS 250 CO -0.01 0.85 -0.23 0.72 -2.27 0.00 0.00 179.45 178.50 2qee n HIS 251 N -4.38 0.00 -3.70 1.91 8.25 -0.35 -4.97 115.22 111.98 2qee n HIS 251 Ca 0.11 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.34 2qee n HIS 251 Cb 0.02 -0.06 0.05 0.00 1.12 0.00 0.00 29.99 31.12 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 -0.13 -3.00 -4.46 0.41 4.05 0.10 -5.00 115.26 107.23 2qee n ASN 252 Ca 0.13 -0.74 -0.34 0.00 0.45 0.00 0.00 54.58 54.08 2qee n ASN 252 Cb 0.40 -4.32 -0.12 0.00 1.23 0.00 0.00 39.78 36.97 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 -3.47 3.90 0.72 -1.44 -1.09 -0.27 -4.83 121.20 114.71 2qee s ILE 253 Ca 0.26 -0.34 -0.15 0.00 -2.23 0.00 0.00 60.65 58.19 2qee s ILE 253 Cb -0.13 -2.74 0.03 0.00 -1.58 0.00 0.00 42.46 38.05 2qee s ILE 253 CO 0.79 0.46 1.19 -2.84 -1.23 0.00 0.00 174.94 173.31 2qee s PRO 254 N 0.73 2.23 -0.31 2.79 0.02 -1.26 -4.57 135.00 134.63 2qee s PRO 254 Ca -0.01 1.70 -0.09 0.00 0.02 0.00 0.00 61.00 62.62 2qee s PRO 254 Cb -0.14 -1.85 -0.00 0.00 0.02 0.00 0.00 34.50 32.52 2qee s PRO 254 CO 0.02 -1.75 0.14 0.12 -0.33 0.00 0.00 177.00 175.20 2qee s PHE 255 N -2.05 3.17 -0.12 6.54 5.36 -0.41 -1.44 117.98 129.04 2qee s PHE 255 Ca 0.73 -0.66 -0.17 0.00 -0.96 0.00 0.00 56.93 55.87 2qee s PHE 255 Cb -0.28 -2.34 -0.04 0.00 -0.34 0.00 0.00 43.02 40.02 2qee s PHE 255 CO 0.45 -0.49 0.43 0.00 -1.46 0.00 0.00 175.22 174.15 2qee s ALA 256 N 1.59 3.51 -0.15 11.12 0.00 0.18 -1.53 121.76 136.47 2qee s ALA 256 Ca 0.04 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.76 2qee s ALA 256 Cb -0.17 -2.58 0.02 0.00 0.00 0.00 0.00 23.12 20.39 2qee s ALA 256 CO 0.06 0.04 -0.17 -1.64 0.00 0.00 0.00 175.76 174.04 2qee s MET 257 N 0.51 2.63 -0.42 0.00 1.00 0.60 -1.47 119.30 122.15 2qee s MET 257 Ca 0.24 -0.70 -0.08 0.00 0.00 0.00 0.00 55.69 55.15 2qee s MET 257 Cb -0.15 -2.28 0.09 0.00 0.00 0.00 0.00 34.83 32.49 2qee s MET 257 CO 0.09 -0.17 0.26 -1.64 0.00 0.00 0.00 175.02 173.56 2qee s MET 258 N 1.25 2.50 -0.13 2.03 -1.94 -0.01 -2.25 119.30 120.74 2qee s MET 258 Ca 0.02 -1.55 -0.02 0.00 -1.71 0.00 0.00 55.69 52.43 2qee s MET 258 Cb -0.14 -3.76 -0.02 0.00 2.01 0.00 0.00 34.83 32.93 2qee s MET 258 CO -0.09 -1.00 -0.08 0.42 -0.01 0.00 0.00 175.02 174.26 2qee s ILE 259 N 1.37 3.48 0.00 2.53 1.01 -0.34 -0.35 121.20 128.90 2qee s ILE 259 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2qee s ILE 259 Cb -0.23 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.75 2qee s ILE 259 CO 0.01 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.08 2qee n GLY 260 N 3.38 0.32 3.74 6.18 0.00 0.18 -0.81 105.19 118.17 2qee n GLY 260 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.27 4.95 -0.38 1.61 0.11 -1.05 -1.71 120.40 122.65 2qee s VAL 261 Ca 0.00 1.36 -0.07 0.00 -2.93 0.00 0.00 61.98 60.34 2qee s VAL 261 Cb 0.00 -4.00 0.06 0.00 -1.53 0.00 0.00 36.38 30.92 2qee s VAL 261 CO 0.00 0.34 0.18 -0.75 -3.33 0.00 0.00 175.10 171.54 2qee s LYS 262 N 0.27 2.56 0.23 1.54 2.20 0.17 -4.04 119.74 122.66 2qee s LYS 262 Ca 0.34 -1.36 -0.30 0.00 -0.36 0.00 0.00 55.97 54.30 2qee s LYS 262 Cb -0.18 -3.62 -0.09 0.00 -1.51 0.00 0.00 37.83 32.43 2qee s LYS 262 CO 0.18 -0.83 1.14 0.15 -0.36 0.00 0.00 175.35 175.63 2qee s LYS 263 N 1.39 4.57 -1.26 4.03 -0.14 -1.26 -0.23 119.74 126.84 2qee s LYS 263 Ca 0.01 1.82 -0.02 0.00 -1.36 0.00 0.00 55.97 56.43 2qee s LYS 263 Cb -0.21 -3.22 -0.01 0.00 -1.68 0.00 0.00 37.83 32.71 2qee s LYS 263 CO 0.02 0.07 0.75 0.54 -0.76 0.00 0.00 175.35 175.97 2qee n ARG 264 N 1.85 -4.57 0.23 1.68 5.12 -1.19 -4.88 116.66 114.89 2qee n ARG 264 Ca 0.01 0.65 0.15 0.00 -1.93 0.00 0.00 57.85 56.73 2qee n ARG 264 Cb 0.45 -5.20 0.49 0.00 -1.16 0.00 0.00 32.46 27.03 2qee n ARG 264 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 2qee h VAL 265 N -1.81 0.00 -2.62 1.55 -1.51 -1.20 -3.33 116.25 107.32 2qee h VAL 265 Ca -0.61 -0.64 -0.60 0.00 -1.23 0.00 0.00 66.70 63.62 2qee h VAL 265 Cb 1.35 1.61 -0.39 0.00 -2.13 0.00 0.00 31.29 31.73 2qee h VAL 265 CO 0.54 0.00 -0.85 -2.28 -1.23 0.00 0.00 177.57 173.76 2qee s HIS 266 N -3.45 1.68 0.25 5.19 5.65 -1.05 -5.02 115.29 118.54 2qee s HIS 266 Ca 0.04 -2.47 -0.04 0.00 0.25 0.00 0.00 55.06 52.84 2qee s HIS 266 Cb 0.08 -1.42 0.39 0.00 -1.18 0.00 0.00 32.58 30.45 2qee s HIS 266 CO 0.57 -0.76 1.85 -1.35 -0.65 0.00 0.00 174.74 174.40 2qee h PRO 267 N 5.89 0.97 0.00 2.88 0.11 -1.84 -1.89 132.00 138.12 2qee h PRO 267 Ca 0.18 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2qee h PRO 267 Cb 0.89 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.78 2qee h PRO 267 CO 0.45 0.64 0.07 0.00 -0.21 0.00 0.00 178.00 178.95 2qee h ALA 268 N 1.44 1.07 0.00 -0.75 0.00 -1.95 -1.61 119.26 117.46 2qee h ALA 268 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2qee h ALA 268 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2qee h ALA 268 CO -0.20 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.27 2qee n LEU 269 N -2.87 0.00 0.00 0.00 4.77 -0.71 -4.99 117.00 113.20 2qee n LEU 269 Ca -0.02 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2qee n LEU 269 Cb 0.13 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2qee n LEU 269 CO 0.17 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 2qee n GLY 270 N 1.17 2.42 0.29 -0.72 0.00 -0.61 -2.01 105.19 105.73 2qee n GLY 270 Ca 0.11 -0.36 0.19 0.00 0.00 0.00 0.00 46.02 45.96 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 2.14 0.00 0.00 1.61 3.32 -1.94 -1.40 116.42 120.15 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 -2.07 2.42 -0.35 3.45 0.00 -0.85 -3.93 120.51 119.19 2qee n ALA 272 Ca -0.00 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.44 2qee n ALA 272 Cb 0.23 -1.23 0.28 0.00 0.00 0.00 0.00 19.45 18.72 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 0.51 2.63 3.87 0.00 0.00 -0.53 -4.84 105.19 106.84 2qee n GLY 273 Ca 0.11 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.01 6.59 0.00 1.61 1.01 -1.25 -0.88 116.67 122.74 2qee s ASP 274 Ca 0.41 0.72 0.00 0.00 0.71 0.00 0.00 52.55 54.39 2qee s ASP 274 Cb 0.22 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 42.01 2qee s ASP 274 CO 0.27 0.17 0.00 0.33 0.21 0.00 0.00 175.17 176.15 2qee n PHE 275 N 0.85 0.00 -4.06 4.23 7.35 0.68 -4.93 117.46 121.58 2qee n PHE 275 Ca -0.08 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.51 2qee n PHE 275 Cb 0.52 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.25 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 -0.36 0.36 0.03 -2.13 0.11 -1.26 -0.66 120.40 116.48 2qee s VAL 276 Ca 0.00 -1.29 -0.12 0.00 -2.93 0.00 0.00 61.98 57.64 2qee s VAL 276 Cb 0.00 -0.83 0.01 0.00 -1.53 0.00 0.00 36.38 34.04 2qee s VAL 276 CO 0.00 -0.61 0.26 -0.83 -3.33 0.00 0.00 175.10 170.59 2qee s GLY 277 N -2.02 -0.07 0.22 6.54 0.00 -0.70 -4.84 107.32 106.46 2qee s GLY 277 Ca -0.06 -0.03 -0.30 0.00 0.00 0.00 0.00 44.72 44.34 2qee s GLY 277 CO -0.03 -0.23 1.18 1.25 0.00 0.00 0.00 173.10 175.27 2qee s LYS 278 N -2.24 4.52 0.21 2.90 2.20 -1.26 -4.40 119.74 121.68 2qee s LYS 278 Ca -0.07 1.88 0.06 0.00 -0.36 0.00 0.00 55.97 57.47 2qee s LYS 278 Cb -0.02 -3.22 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 2qee s LYS 278 CO -0.02 -0.01 0.21 0.00 -0.36 0.00 0.00 175.35 175.17 2qee s ALA 279 N -0.42 3.66 0.41 3.13 0.00 -1.26 -4.78 121.76 122.50 2qee s ALA 279 Ca 0.50 -1.30 -0.24 0.00 0.00 0.00 0.00 51.96 50.92 2qee s ALA 279 Cb -0.33 -1.42 -0.08 0.00 0.00 0.00 0.00 23.12 21.29 2qee s ALA 279 CO 0.39 0.35 1.13 0.45 0.00 0.00 0.00 175.76 178.08 2qee s SER 280 N -3.57 6.53 0.00 0.00 0.15 -1.26 -4.95 113.70 110.60 2qee s SER 280 Ca 0.33 2.24 0.28 0.00 0.70 0.00 0.00 55.95 59.49 2qee s SER 280 Cb -0.09 -2.60 1.03 0.00 -1.71 0.00 0.00 66.02 62.65 2qee s SER 280 CO 0.25 -0.66 1.75 0.23 1.20 0.00 0.00 173.24 176.02 2qee n MET 281 N -0.07 0.37 -0.21 5.44 2.81 -1.26 -4.44 117.12 119.77 2qee n MET 281 Ca 0.05 -0.14 -0.00 0.00 -1.81 0.00 0.00 57.70 55.80 2qee n MET 281 Cb 0.48 -1.50 0.11 0.00 -0.71 0.00 0.00 33.22 31.60 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 0.34 0.33 -0.82 7.83 3.32 -1.93 0.13 116.42 125.62 2qee h ASP 282 Ca 0.00 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 2qee h ASP 282 Cb 0.43 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 2qee h ASP 282 CO 0.00 0.20 0.40 1.23 -1.72 0.00 0.00 179.24 179.35 2qee h GLY 283 N 0.49 1.27 0.98 2.75 0.00 -1.78 0.40 103.07 107.18 2qee h GLY 283 Ca 0.30 -0.62 -0.17 0.00 0.00 0.00 0.00 47.33 46.84 2qee h GLY 283 CO -0.26 0.59 -0.59 -2.08 0.00 0.00 0.00 176.54 174.20 2qee h VAL 284 N 1.17 1.33 -0.32 4.60 2.07 -1.63 -1.88 116.25 121.60 2qee h VAL 284 Ca 0.28 -1.87 0.04 0.00 0.82 0.00 0.00 66.70 65.98 2qee h VAL 284 Cb 0.11 2.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 2qee h VAL 284 CO -0.04 0.57 0.09 -0.08 0.02 0.00 0.00 177.57 178.13 2qee h GLU 285 N 0.27 0.20 0.05 1.57 4.81 -0.64 -0.98 114.58 119.86 2qee h GLU 285 Ca -0.04 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2qee h GLU 285 Cb 1.23 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 2qee h GLU 285 CO 0.12 0.13 -0.19 1.25 -0.73 0.00 0.00 179.01 179.59 2qee h HIS 286 N 0.21 -0.51 -0.25 0.92 2.76 -0.84 -1.68 115.15 115.77 2qee h HIS 286 Ca 0.15 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.39 2qee h HIS 286 Cb 0.14 0.22 -0.06 0.00 1.55 0.00 0.00 27.41 29.26 2qee h HIS 286 CO -0.16 -0.28 -0.14 -0.07 -1.30 0.00 0.00 177.93 175.98 2qee h LEU 287 N -0.34 -0.47 -0.19 0.26 3.38 -1.05 0.57 115.31 117.48 2qee h LEU 287 Ca 0.04 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2qee h LEU 287 Cb 0.39 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2qee h LEU 287 CO -0.14 -0.18 -0.06 -0.07 0.09 0.00 0.00 178.44 178.07 2qee h LEU 288 N -0.12 -0.22 -0.25 1.67 3.38 -1.03 -1.03 115.31 117.71 2qee h LEU 288 Ca 0.13 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 2qee h LEU 288 Cb 0.32 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2qee h LEU 288 CO -0.32 -0.09 -0.14 -0.09 0.09 0.00 0.00 178.44 177.90 2qee h ARG 289 N -0.03 0.53 0.00 1.13 2.43 -1.09 -3.33 114.38 114.02 2qee h ARG 289 Ca 0.10 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2qee h ARG 289 Cb 0.17 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2qee h ARG 289 CO -0.21 0.80 -0.65 0.39 -1.51 0.00 0.00 179.97 178.79 2qee n GLU 290 N -4.46 0.24 -3.11 0.20 -0.58 0.18 -4.17 120.64 108.94 2qee n GLU 290 Ca -0.04 0.06 -0.27 0.00 -0.42 0.00 0.00 57.16 56.49 2qee n GLU 290 Cb 0.36 -1.64 -0.05 0.00 -0.57 0.00 0.00 31.44 29.53 2qee n GLU 290 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2qee n TYR 291 N -1.99 3.75 0.34 -0.32 4.01 -0.40 -4.93 117.16 117.61 2qee n TYR 291 Ca 0.03 -4.04 0.13 0.00 -0.16 0.00 0.00 57.90 53.87 2qee n TYR 291 Cb 0.42 -0.51 0.57 0.00 -0.31 0.00 0.00 39.34 39.52 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 3.39 0.00 -0.29 -0.72 0.13 -1.72 -0.34 132.00 132.45 2qee h PRO 292 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2qee h PRO 292 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 2qee h PRO 292 CO 0.81 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.67 2qee n ASN 293 N -2.42 2.84 -4.81 1.44 5.03 -1.26 -4.88 115.26 111.21 2qee n ASN 293 Ca 0.01 -1.90 -0.28 0.00 0.87 0.00 0.00 54.58 53.27 2qee n ASN 293 Cb 0.20 -0.18 -0.06 0.00 -1.02 0.00 0.00 39.78 38.73 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 -1.56 5.65 -0.05 6.41 -0.87 -0.14 -4.73 114.94 119.65 2qee s ASN 294 Ca 0.36 -0.02 0.04 0.00 -1.57 0.00 0.00 52.86 51.67 2qee s ASN 294 Cb 0.21 -1.54 -0.02 0.00 -0.02 0.00 0.00 41.25 39.88 2qee s ASN 294 CO 0.30 0.12 -0.17 -0.54 -2.57 0.00 0.00 177.10 174.24 2qee s LYS 295 N -2.75 2.51 -0.08 -0.60 1.02 -1.26 -4.84 119.74 113.74 2qee s LYS 295 Ca 0.31 -0.75 0.01 0.00 0.02 0.00 0.00 55.97 55.56 2qee s LYS 295 Cb -0.11 -2.33 0.02 0.00 -0.52 0.00 0.00 37.83 34.89 2qee s LYS 295 CO 0.23 0.57 -0.11 -0.06 -0.92 0.00 0.00 175.35 175.06 2qee s PHE 296 N -0.59 1.46 -0.21 3.18 0.08 0.12 -1.28 117.98 120.74 2qee s PHE 296 Ca 0.09 -0.61 -0.11 0.00 0.12 0.00 0.00 56.93 56.42 2qee s PHE 296 Cb -0.11 -1.12 -0.05 0.00 -0.57 0.00 0.00 43.02 41.17 2qee s PHE 296 CO 0.01 -0.35 0.17 -0.51 -0.10 0.00 0.00 175.22 174.43 2qee s LEU 297 N 0.99 4.18 -0.03 -0.37 1.43 -0.58 -0.95 118.68 123.35 2qee s LEU 297 Ca -0.08 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 2qee s LEU 297 Cb -0.15 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 43.94 2qee s LEU 297 CO -0.00 0.12 -0.07 -0.69 0.23 0.00 0.00 176.35 175.94 2qee s VAL 298 N 0.67 0.62 0.02 -1.59 1.01 -0.77 -0.29 120.40 120.06 2qee s VAL 298 Ca 0.09 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2qee s VAL 298 Cb -0.12 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 2qee s VAL 298 CO 0.01 0.21 -0.10 0.28 0.00 0.00 0.00 175.10 175.50 2qee s THR 299 N 0.32 0.74 0.13 3.92 -1.32 -0.96 -1.92 115.64 116.55 2qee s THR 299 Ca -0.04 -0.70 0.08 0.00 -1.21 0.00 0.00 61.69 59.82 2qee s THR 299 Cb -0.09 -0.68 -0.04 0.00 -1.51 0.00 0.00 72.50 70.19 2qee s THR 299 CO 0.00 -0.00 -0.18 -0.04 -2.21 0.00 0.00 174.62 172.19 2qee s MET 300 N -0.78 1.15 -0.04 7.08 -1.94 -1.26 -1.19 119.30 122.32 2qee s MET 300 Ca -0.00 -1.25 0.15 0.00 -1.71 0.00 0.00 55.69 52.87 2qee s MET 300 Cb -0.06 -1.26 -0.21 0.00 2.01 0.00 0.00 34.83 35.31 2qee s MET 300 CO 0.00 0.27 0.62 -0.11 -0.01 0.00 0.00 175.02 175.79 2qee n LEU 301 N 0.71 0.73 -4.74 -0.03 7.94 0.01 -4.59 117.00 117.02 2qee n LEU 301 Ca -0.17 0.34 -0.41 0.00 -1.11 0.00 0.00 56.01 54.67 2qee n LEU 301 Cb 0.55 0.19 -0.05 0.00 0.53 0.00 0.00 43.42 44.64 2qee n LEU 301 CO 0.26 0.33 0.65 -0.55 -1.11 0.00 0.00 177.39 176.96 2qee s SER 302 N -5.89 7.55 0.40 1.96 0.15 -1.26 -4.52 113.70 112.09 2qee s SER 302 Ca -0.05 1.84 0.06 0.00 0.70 0.00 0.00 55.95 58.51 2qee s SER 302 Cb 0.08 -2.59 0.82 0.00 -1.71 0.00 0.00 66.02 62.62 2qee s SER 302 CO 0.82 0.04 2.03 -0.09 1.20 0.00 0.00 173.24 177.25 2qee h ARG 303 N 4.94 0.61 -0.00 5.44 2.43 -1.95 -2.17 114.38 123.67 2qee h ARG 303 Ca -0.44 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2qee h ARG 303 Cb 1.21 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2qee h ARG 303 CO 0.70 0.40 -0.01 0.39 -1.51 0.00 0.00 179.97 179.95 2qee n GLU 304 N -4.47 0.59 0.00 0.20 4.71 -1.26 -2.41 120.64 118.00 2qee n GLU 304 Ca 0.05 -0.02 0.12 0.00 -0.01 0.00 0.00 57.16 57.30 2qee n GLU 304 Cb 0.10 -1.50 0.20 0.00 -1.01 0.00 0.00 31.44 29.23 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 -1.19 0.73 -0.04 1.62 5.03 -0.82 -4.69 115.26 115.91 2qee n ASN 305 Ca 0.17 -0.53 -0.15 0.00 0.87 0.00 0.00 54.58 54.94 2qee n ASN 305 Cb 0.21 0.36 -0.08 0.00 -1.02 0.00 0.00 39.78 39.24 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 0.31 0.40 -0.35 3.52 1.08 -1.56 -1.49 115.11 117.03 2qee h GLN 306 Ca 0.00 -0.29 -0.01 0.00 -1.45 0.00 0.00 58.65 56.90 2qee h GLN 306 Cb 0.51 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 2qee h GLN 306 CO 0.00 0.92 0.18 1.25 -0.95 0.00 0.00 178.83 180.22 2qee h HIS 307 N -0.04 0.49 0.00 2.96 2.76 -1.84 -2.02 115.15 117.45 2qee h HIS 307 Ca -0.01 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.03 2qee h HIS 307 Cb 0.95 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.74 2qee h HIS 307 CO 0.11 0.40 -0.51 1.05 -1.30 0.00 0.00 177.93 177.68 2qee h GLU 308 N 0.43 0.00 -0.65 5.26 4.11 -1.85 -1.37 114.58 120.50 2qee h GLU 308 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 2qee h GLU 308 Cb 0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2qee h GLU 308 CO -0.02 0.51 0.43 1.25 0.07 0.00 0.00 179.01 181.25 2qee h LEU 309 N 0.00 0.76 -0.46 3.06 5.85 -1.03 -0.04 115.31 123.44 2qee h LEU 309 Ca -0.01 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.72 2qee h LEU 309 Cb 0.99 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 2qee h LEU 309 CO 0.07 0.56 0.25 0.58 -0.34 0.00 0.00 178.44 179.55 2qee h VAL 310 N 0.89 1.00 -0.78 1.05 2.07 -0.54 -2.04 116.25 117.90 2qee h VAL 310 Ca 0.24 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 2qee h VAL 310 Cb -0.09 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 2qee h VAL 310 CO -0.05 0.09 0.37 0.58 0.02 0.00 0.00 177.57 178.58 2qee h VAL 311 N 0.50 1.24 -0.47 2.57 2.07 -0.99 -2.13 116.25 119.04 2qee h VAL 311 Ca 0.20 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 2qee h VAL 311 Cb 0.07 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 2qee h VAL 311 CO -0.12 0.29 0.04 0.25 0.02 0.00 0.00 177.57 178.05 2qee h LEU 312 N 1.10 0.71 -1.32 2.57 5.85 -0.68 -1.16 115.31 122.38 2qee h LEU 312 Ca 0.27 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2qee h LEU 312 Cb 0.11 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2qee h LEU 312 CO -0.03 0.75 0.17 0.00 -0.34 0.00 0.00 178.44 178.99 2qee h ALA 313 N 1.34 1.47 -0.41 1.25 0.00 -0.73 -1.68 119.26 120.49 2qee h ALA 313 Ca 0.15 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2qee h ALA 313 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2qee h ALA 313 CO 0.01 0.41 0.28 0.00 0.00 0.00 0.00 179.25 179.95 2qee h ARG 314 N 0.63 0.35 0.00 0.00 3.08 -0.80 -3.06 114.38 114.58 2qee h ARG 314 Ca 0.15 -0.02 -0.23 0.00 0.07 0.00 0.00 59.98 59.96 2qee h ARG 314 Cb 0.14 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 2qee h ARG 314 CO -0.01 0.23 -1.17 0.87 -1.07 0.00 0.00 179.97 178.82 2qee h LYS 315 N 0.36 0.00 -3.89 0.04 1.79 -0.98 -3.46 116.57 110.44 2qee h LYS 315 Ca 0.18 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.13 2qee h LYS 315 Cb 0.25 0.00 -0.38 0.00 -1.58 0.00 0.00 32.23 30.51 2qee h LYS 315 CO -0.04 0.85 -0.78 -0.06 -1.08 0.00 0.00 179.45 178.34 2qee s PHE 316 N -2.69 1.27 -0.73 -1.35 0.08 -0.98 -5.01 117.98 108.58 2qee s PHE 316 Ca -0.00 -0.80 0.24 0.00 0.12 0.00 0.00 56.93 56.49 2qee s PHE 316 Cb 0.09 -1.12 0.91 0.00 -0.57 0.00 0.00 43.02 42.34 2qee s PHE 316 CO 0.82 -0.55 1.73 -1.13 -0.10 0.00 0.00 175.22 176.00 2qee n SER 317 N 4.99 0.52 -0.35 1.36 3.41 -1.26 -1.85 113.62 120.43 2qee n SER 317 Ca -0.10 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.18 2qee n SER 317 Cb 0.48 -0.71 0.38 0.00 -0.26 0.00 0.00 64.21 64.10 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 -2.02 1.04 -4.69 4.04 6.94 -1.26 -4.75 115.26 114.56 2qee n ASN 318 Ca 0.04 -1.67 -0.36 0.00 -0.02 0.00 0.00 54.58 52.57 2qee n ASN 318 Cb 0.31 -0.08 -0.09 0.00 -2.36 0.00 0.00 39.78 37.56 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 4.14 -0.20 -4.53 2.96 -0.77 -0.70 118.68 118.11 2qee s LEU 319 Ca 0.28 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 2qee s LEU 319 Cb 0.14 -2.09 0.02 0.00 0.50 0.00 0.00 46.19 44.76 2qee s LEU 319 CO 0.22 0.11 -0.17 -0.32 -1.32 0.00 0.00 176.35 174.87 2qee s MET 320 N 0.76 2.91 0.14 1.98 -2.45 -0.13 -4.93 119.30 117.58 2qee s MET 320 Ca 0.08 -0.89 -0.09 0.00 -1.25 0.00 0.00 55.69 53.54 2qee s MET 320 Cb -0.12 -2.66 -0.06 0.00 1.25 0.00 0.00 34.83 33.24 2qee s MET 320 CO 0.02 -0.26 0.44 0.96 1.05 0.00 0.00 175.02 177.23 2qee s ILE 321 N 1.28 5.05 -0.02 10.11 -4.36 -1.26 -1.86 121.20 130.15 2qee s ILE 321 Ca 0.03 0.37 -0.02 0.00 -0.26 0.00 0.00 60.65 60.76 2qee s ILE 321 Cb -0.14 -3.64 0.01 0.00 1.25 0.00 0.00 42.46 39.93 2qee s ILE 321 CO -0.11 0.12 0.06 0.72 0.24 0.00 0.00 174.94 175.97 2qee s PHE 322 N -1.58 -0.06 0.18 1.37 -0.12 -0.81 -2.28 117.98 114.68 2qee s PHE 322 Ca 0.39 0.15 0.00 0.00 -0.05 0.00 0.00 56.93 57.42 2qee s PHE 322 Cb -0.13 0.02 0.00 0.00 -0.63 0.00 0.00 43.02 42.28 2qee s PHE 322 CO 0.21 -0.04 0.00 0.41 -0.05 0.00 0.00 175.22 175.75 2qee n GLY 323 N 2.98 -2.42 3.02 1.99 0.00 -0.12 -4.41 105.19 106.23 2qee n GLY 323 Ca -0.13 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 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 0.68 3.39 0.00 0.00 -0.00 -1.26 -3.56 118.94 118.19 2qee s TRP 325 Ca 0.12 1.41 0.00 0.00 -0.00 0.00 0.00 56.10 57.63 2qee s TRP 325 Cb -0.21 -3.17 0.00 0.00 -0.00 0.00 0.00 33.47 30.09 2qee s TRP 325 CO -0.06 -0.36 0.00 1.87 -0.00 0.00 0.00 176.95 178.39 2qee n TRP 326 N 5.77 0.00 0.58 5.86 -0.00 -1.26 -0.32 117.44 128.07 2qee n TRP 326 Ca 0.09 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.67 2qee n TRP 326 Cb 0.47 0.00 0.36 0.00 -0.00 0.00 0.00 31.31 32.14 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 0.00 1.01 5.87 3.72 -1.26 -0.72 117.46 126.07 2qee n PHE 327 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 2qee n PHE 327 Cb 0.00 -0.50 0.26 0.00 -0.94 0.00 0.00 39.48 38.30 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 -1.50 0.02 -1.85 -1.08 2.81 0.56 -4.58 117.12 111.51 2qee n MET 328 Ca 0.04 -0.01 -0.35 0.00 -1.81 0.00 0.00 57.70 55.57 2qee n MET 328 Cb 0.20 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.19 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 -1.48 7.32 -4.08 7.83 5.15 0.10 -3.64 115.26 126.46 2qee n ASN 329 Ca 0.06 -3.26 -0.21 0.00 -0.60 0.00 0.00 54.58 50.56 2qee n ASN 329 Cb 0.34 -1.27 -0.15 0.00 -0.53 0.00 0.00 39.78 38.16 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 0.11 1.45 0.31 1.20 0.01 -1.26 -4.93 114.94 111.84 2qee s ASN 330 Ca 0.55 -0.24 0.06 0.00 -0.71 0.00 0.00 52.86 52.51 2qee s ASN 330 Cb 0.28 -0.15 0.83 0.00 0.41 0.00 0.00 41.25 42.62 2qee s ASN 330 CO -0.17 0.14 1.64 -0.65 -1.51 0.00 0.00 177.10 176.54 2qee h PRO 331 N 5.75 0.18 -0.83 -0.60 0.11 -1.98 0.18 132.00 134.82 2qee h PRO 331 Ca -0.33 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 2qee h PRO 331 Cb 1.17 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 2qee h PRO 331 CO 0.49 0.12 0.39 1.49 -0.21 0.00 0.00 178.00 180.28 2qee h GLU 332 N 0.19 1.19 0.20 1.05 4.57 -1.97 -1.31 114.58 118.49 2qee h GLU 332 Ca 0.61 -0.18 -0.29 0.00 -1.18 0.00 0.00 59.36 58.33 2qee h GLU 332 Cb 1.31 -0.21 0.02 0.00 -0.16 0.00 0.00 28.75 29.71 2qee h GLU 332 CO -0.69 0.92 -1.31 0.82 -1.18 0.00 0.00 179.01 177.57 2qee h ILE 333 N 1.17 1.27 -0.89 2.32 1.08 -1.30 -2.87 117.51 118.29 2qee h ILE 333 Ca 0.28 -2.59 0.10 0.00 -0.39 0.00 0.00 64.86 62.27 2qee h ILE 333 Cb 0.12 3.01 -0.08 0.00 -3.07 0.00 0.00 36.82 36.81 2qee h ILE 333 CO -0.04 0.78 0.53 0.40 -0.69 0.00 0.00 178.15 179.13 2qee h ILE 334 N -0.07 0.93 0.20 -0.67 2.04 -0.65 -0.32 117.51 118.96 2qee h ILE 334 Ca -0.24 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 2qee h ILE 334 Cb 1.95 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2qee h ILE 334 CO 0.20 0.16 -0.10 -1.13 0.00 0.00 0.00 178.15 177.28 2qee h ASN 335 N 0.88 -0.23 -0.59 1.72 -1.24 -1.31 -0.43 115.58 114.38 2qee h ASN 335 Ca 0.43 -0.19 -0.04 0.00 0.71 0.00 0.00 56.30 57.21 2qee h ASN 335 Cb 0.38 0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.46 2qee h ASN 335 CO -0.24 0.07 0.25 1.05 -1.29 0.00 0.00 177.43 177.27 2qee h GLU 336 N -0.54 0.92 -0.31 6.67 4.11 -1.26 -1.38 114.58 122.79 2qee h GLU 336 Ca -0.03 -0.15 -0.09 0.00 0.07 0.00 0.00 59.36 59.17 2qee h GLU 336 Cb 0.40 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2qee h GLU 336 CO 0.04 0.75 -0.14 0.52 0.07 0.00 0.00 179.01 180.26 2qee h MET 337 N 0.90 0.65 -0.38 1.06 2.86 -0.95 -1.26 114.93 117.81 2qee h MET 337 Ca 0.21 -0.28 -0.14 0.00 -2.06 0.00 0.00 59.70 57.43 2qee h MET 337 Cb 0.18 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2qee h MET 337 CO -0.02 0.86 -0.33 1.15 1.06 0.00 0.00 176.91 179.63 2qee h THR 338 N 0.41 1.28 0.06 2.22 2.02 -0.84 -0.28 112.91 117.78 2qee h THR 338 Ca 0.07 -1.49 -0.00 0.00 0.77 0.00 0.00 66.41 65.76 2qee h THR 338 Cb 0.66 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2qee h THR 338 CO 0.04 0.50 -0.03 0.03 0.37 0.00 0.00 175.52 176.43 2qee h ARG 339 N 0.71 -0.08 -0.78 6.66 3.08 -1.16 -0.64 114.38 122.17 2qee h ARG 339 Ca 0.07 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.22 2qee h ARG 339 Cb 0.89 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.89 2qee h ARG 339 CO 0.08 0.21 0.43 0.52 -1.07 0.00 0.00 179.97 180.14 2qee h MET 340 N -0.38 0.71 -0.07 0.04 2.86 -1.16 -0.99 114.93 115.96 2qee h MET 340 Ca -0.01 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2qee h MET 340 Cb 0.33 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2qee h MET 340 CO 0.01 0.47 0.04 0.00 1.06 0.00 0.00 176.91 178.49 2qee h ARG 341 N 0.74 0.10 -0.40 1.72 3.08 -0.86 -2.22 114.38 116.53 2qee h ARG 341 Ca 0.37 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.29 2qee h ARG 341 Cb 0.34 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2qee h ARG 341 CO -0.24 0.17 -0.21 1.98 -1.07 0.00 0.00 179.97 180.59 2qee h MET 342 N 0.01 0.79 -0.94 0.04 4.05 -0.89 0.23 114.93 118.22 2qee h MET 342 Ca 0.02 -0.31 0.03 0.00 -0.28 0.00 0.00 59.70 59.16 2qee h MET 342 Cb 0.10 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.81 2qee h MET 342 CO -0.00 0.93 0.62 0.93 0.23 0.00 0.00 176.91 179.62 2qee h GLU 343 N 0.69 1.19 0.00 0.39 5.08 -1.09 0.49 114.58 121.32 2qee h GLU 343 Ca 0.10 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2qee h GLU 343 Cb 0.72 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2qee h GLU 343 CO 0.06 0.78 -1.51 -1.33 -1.00 0.00 0.00 179.01 176.01 2qee n MET 344 N -4.42 0.36 0.00 2.33 2.81 -0.85 -4.57 117.12 112.79 2qee n MET 344 Ca 0.12 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2qee n MET 344 Cb 0.07 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 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 -1.93 0.61 0.00 4.03 4.77 0.81 -4.87 117.00 120.42 2qee n LEU 345 Ca -0.00 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 2qee n LEU 345 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2qee n LEU 345 CO 0.44 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2qee n GLY 346 N -0.01 3.87 1.30 -0.72 0.00 0.16 -1.18 105.19 108.60 2qee n GLY 346 Ca 0.00 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.24 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 1.47 -1.64 2.61 -2.24 -1.26 -4.31 114.28 108.91 2qee n THR 347 Ca 0.00 -1.16 -0.31 0.00 -2.27 0.00 0.00 64.05 60.32 2qee n THR 347 Cb 0.00 0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.47 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 1.06 6.93 -3.87 3.42 3.41 -0.33 -4.69 113.62 119.54 2qee n SER 348 Ca 0.23 -3.19 -0.08 0.00 -0.26 0.00 0.00 58.87 55.57 2qee n SER 348 Cb 0.73 -1.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.38 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 -1.55 -0.03 -0.41 7.33 -0.12 -1.26 -4.83 117.98 117.11 2qee s PHE 349 Ca 0.57 -0.38 -0.09 0.00 -0.05 0.00 0.00 56.93 56.99 2qee s PHE 349 Cb 0.32 0.52 0.08 0.00 -0.63 0.00 0.00 43.02 43.31 2qee s PHE 349 CO -0.18 -1.12 0.25 0.42 -0.05 0.00 0.00 175.22 174.53 2qee s ILE 350 N -3.94 4.17 0.39 -4.49 1.01 -0.97 -4.67 121.20 112.70 2qee s ILE 350 Ca 0.14 -1.40 0.10 0.00 0.00 0.00 0.00 60.65 59.49 2qee s ILE 350 Cb -0.04 -3.55 0.15 0.00 0.01 0.00 0.00 42.46 39.03 2qee s ILE 350 CO 0.06 -0.49 1.91 1.55 0.00 0.00 0.00 174.94 177.97 2qee h PRO 351 N 8.38 0.18 -2.76 2.79 0.13 -1.86 -0.29 132.00 138.56 2qee h PRO 351 Ca -0.23 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.77 2qee h PRO 351 Cb 1.08 -0.02 -0.18 0.00 0.13 0.00 0.00 31.00 32.00 2qee h PRO 351 CO 0.74 0.36 -0.09 -1.14 -0.23 0.00 0.00 178.00 177.65 2qee s GLN 352 N -4.64 0.87 0.11 0.86 2.00 -1.26 -3.37 119.66 114.24 2qee s GLN 352 Ca -0.05 -0.14 0.00 0.00 -2.00 0.00 0.00 55.36 53.17 2qee s GLN 352 Cb 0.15 0.39 -0.04 0.00 0.80 0.00 0.00 33.01 34.31 2qee s GLN 352 CO 0.73 -0.27 0.00 -3.38 -0.50 0.00 0.00 175.29 171.87 2qee s HIS 353 N -1.73 0.85 -0.11 1.67 -3.43 -1.26 -4.67 115.29 106.61 2qee s HIS 353 Ca -0.10 -1.10 0.15 0.00 -0.80 0.00 0.00 55.06 53.22 2qee s HIS 353 Cb -0.02 -0.51 -0.23 0.00 -1.43 0.00 0.00 32.58 30.39 2qee s HIS 353 CO 0.03 -0.36 0.44 -1.13 -2.00 0.00 0.00 174.74 171.72 2qee n SER 354 N -0.06 0.51 -2.45 7.38 3.41 -1.25 -4.70 113.62 116.46 2qee n SER 354 Ca -0.09 0.24 -0.15 0.00 -0.26 0.00 0.00 58.87 58.61 2qee n SER 354 Cb 0.62 0.41 -0.01 0.00 -0.26 0.00 0.00 64.21 64.98 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 -2.90 -4.54 -4.71 4.04 -0.08 -0.47 -4.87 116.55 103.02 2qee n ASP 355 Ca -0.22 0.12 -0.42 0.00 -1.51 0.00 0.00 54.79 52.76 2qee n ASP 355 Cb 1.07 -3.82 -0.03 0.00 2.34 0.00 0.00 41.12 40.68 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 -2.75 3.85 -0.09 -1.67 0.00 -1.26 -4.41 121.76 115.42 2qee s ALA 356 Ca 0.01 1.48 0.20 0.00 0.00 0.00 0.00 51.96 53.65 2qee s ALA 356 Cb -0.00 -3.68 -0.30 0.00 0.00 0.00 0.00 23.12 19.13 2qee s ALA 356 CO 0.01 -0.92 0.33 0.54 0.00 0.00 0.00 175.76 175.72 2qee n ARG 357 N 4.28 0.67 -5.14 0.00 1.74 -1.26 -0.22 116.66 116.73 2qee n ARG 357 Ca 0.15 -0.12 -0.31 0.00 -0.77 0.00 0.00 57.85 56.80 2qee n ARG 357 Cb 0.37 -1.52 -0.17 0.00 -1.02 0.00 0.00 32.46 30.12 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 -3.13 1.93 0.23 1.55 1.01 -1.26 -4.41 120.40 116.31 2qee s VAL 358 Ca -0.09 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.84 2qee s VAL 358 Cb 0.11 -1.67 0.27 0.00 0.00 0.00 0.00 36.38 35.09 2qee s VAL 358 CO 0.88 0.53 1.63 0.25 0.00 0.00 0.00 175.10 178.39 2qee h LEU 359 N 6.61 -0.48 -1.60 3.92 5.85 -1.24 -0.39 115.31 127.98 2qee h LEU 359 Ca -0.23 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2qee h LEU 359 Cb 1.22 0.38 0.00 0.00 0.37 0.00 0.00 40.66 42.63 2qee h LEU 359 CO 0.47 -0.20 0.00 -0.33 -0.34 0.00 0.00 178.44 178.04 2qee h GLU 360 N 0.05 0.00 0.00 1.25 3.07 -1.93 -2.40 114.58 114.62 2qee h GLU 360 Ca 0.37 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.23 2qee h GLU 360 Cb 0.61 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.52 2qee h GLU 360 CO -0.68 0.00 -0.02 1.96 -1.40 0.00 0.00 179.01 178.87 2qee h GLN 361 N 0.00 0.00 -0.77 2.33 4.20 -1.47 -0.86 115.11 118.54 2qee h GLN 361 Ca 0.00 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.85 2qee h GLN 361 Cb 0.23 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 2qee h GLN 361 CO 0.00 0.02 0.51 -0.07 -0.67 0.00 0.00 178.83 178.62 2qee h LEU 362 N 0.00 0.44 0.63 1.46 3.38 -1.60 0.44 115.31 120.06 2qee h LEU 362 Ca -0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2qee h LEU 362 Cb 0.14 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.83 2qee h LEU 362 CO 0.00 0.23 -0.30 0.40 0.09 0.00 0.00 178.44 178.86 2qee h ILE 363 N 0.47 0.31 -0.00 1.22 2.04 -1.39 -2.50 117.51 117.67 2qee h ILE 363 Ca 0.38 -0.19 -0.22 0.00 1.00 0.00 0.00 64.86 65.83 2qee h ILE 363 Cb 0.80 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2qee h ILE 363 CO -0.13 0.02 -0.93 0.10 0.00 0.00 0.00 178.15 177.22 2qee h TYR 364 N -0.99 0.55 -0.39 1.37 -0.00 -1.58 -1.32 116.97 114.61 2qee h TYR 364 Ca -0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 58.73 58.33 2qee h TYR 364 Cb 0.69 -0.06 -0.02 0.00 0.00 0.00 0.00 36.73 37.34 2qee h TYR 364 CO -0.01 1.12 0.20 0.87 -0.00 0.00 0.00 178.16 180.34 2qee h LYS 365 N 0.21 0.56 -0.13 0.10 1.57 -0.98 -0.40 116.57 117.50 2qee h LYS 365 Ca -0.07 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.47 2qee h LYS 365 Cb 1.56 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.77 2qee h LYS 365 CO 0.16 0.47 -0.55 -1.49 -0.57 0.00 0.00 179.45 177.46 2qee h TRP 366 N 0.50 0.82 0.00 -1.35 4.06 -1.49 -2.49 115.95 116.00 2qee h TRP 366 Ca 0.14 -0.35 0.01 0.00 2.06 0.00 0.00 58.89 60.74 2qee h TRP 366 Cb 0.08 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 2qee h TRP 366 CO -0.02 1.14 -0.03 1.25 -3.56 0.00 0.00 178.44 177.22 2qee h HIS 367 N 0.26 -0.08 -0.53 0.49 2.76 -1.14 0.12 115.15 117.03 2qee h HIS 367 Ca -0.03 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.02 2qee h HIS 367 Cb 1.19 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 30.17 2qee h HIS 367 CO 0.10 -0.05 -0.14 0.45 -1.30 0.00 0.00 177.93 176.99 2qee h HIS 368 N -0.06 1.16 -0.30 5.26 3.86 -1.15 -2.55 115.15 121.37 2qee h HIS 368 Ca 0.01 -0.25 -0.14 0.00 -1.16 0.00 0.00 60.37 58.83 2qee h HIS 368 Cb 0.08 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 2qee h HIS 368 CO -0.11 1.08 -0.38 0.77 0.86 0.00 0.00 177.93 180.16 2qee h SER 369 N 0.90 0.85 -0.59 2.45 0.02 -1.33 -3.20 113.55 112.64 2qee h SER 369 Ca 0.13 -0.49 -0.05 0.00 -0.84 0.00 0.00 61.79 60.54 2qee h SER 369 Cb 0.72 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 2qee h SER 369 CO 0.05 1.17 0.18 0.11 -1.14 0.00 0.00 176.83 177.21 2qee h LYS 370 N 0.54 0.95 -0.64 3.45 1.57 -0.65 -0.48 116.57 121.31 2qee h LYS 370 Ca 0.04 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 2qee h LYS 370 Cb 0.97 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 2qee h LYS 370 CO 0.09 0.82 0.23 0.66 -0.57 0.00 0.00 179.45 180.68 2qee h SER 371 N 0.92 0.90 -0.25 0.86 4.64 -1.50 0.42 113.55 119.53 2qee h SER 371 Ca 0.20 -0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 2qee h SER 371 Cb 0.28 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 2qee h SER 371 CO -0.01 0.84 0.02 0.40 -0.87 0.00 0.00 176.83 177.21 2qee h ILE 372 N 0.90 1.24 -0.63 0.95 2.04 -1.46 -2.24 117.51 118.32 2qee h ILE 372 Ca 0.21 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 2qee h ILE 372 Cb 0.24 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 2qee h ILE 372 CO -0.01 0.27 0.29 0.40 0.00 0.00 0.00 178.15 179.09 2qee h ILE 373 N 0.23 1.21 -0.48 -0.67 2.04 -0.84 -1.69 117.51 117.30 2qee h ILE 373 Ca 0.07 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 2qee h ILE 373 Cb 0.38 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2qee h ILE 373 CO 0.01 0.26 0.29 0.00 0.00 0.00 0.00 178.15 178.70 2qee h ALA 374 N 1.42 0.62 -0.50 1.87 0.00 -0.83 -0.89 119.26 120.94 2qee h ALA 374 Ca 0.22 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2qee h ALA 374 Cb 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2qee h ALA 374 CO -0.03 0.11 0.29 0.93 0.00 0.00 0.00 179.25 180.56 2qee h GLU 375 N 0.64 0.56 -0.04 0.00 5.08 -0.75 0.48 114.58 120.56 2qee h GLU 375 Ca 0.17 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2qee h GLU 375 Cb 0.01 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 2qee h GLU 375 CO -0.03 0.37 0.02 0.28 -1.00 0.00 0.00 179.01 178.65 2qee h VAL 376 N 0.58 1.08 -0.28 3.13 2.07 -1.10 -2.30 116.25 119.43 2qee h VAL 376 Ca 0.20 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.55 2qee h VAL 376 Cb 0.04 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 2qee h VAL 376 CO -0.10 0.07 -0.08 -0.07 0.02 0.00 0.00 177.57 177.40 2qee h LEU 377 N -0.04 -0.30 -0.49 2.57 3.38 -0.95 -1.06 115.31 118.43 2qee h LEU 377 Ca 0.01 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.17 2qee h LEU 377 Cb 0.09 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.95 2qee h LEU 377 CO -0.00 -0.11 0.01 0.40 0.09 0.00 0.00 178.44 178.82 2qee h ILE 378 N -0.02 0.62 -0.62 1.22 2.04 -0.74 0.77 117.51 120.79 2qee h ILE 378 Ca 0.14 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 2qee h ILE 378 Cb 0.23 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2qee h ILE 378 CO -0.30 0.02 0.35 0.44 0.00 0.00 0.00 178.15 178.66 2qee h ASP 379 N 0.12 0.76 -0.30 1.72 3.32 -0.96 0.23 116.42 121.31 2qee h ASP 379 Ca 0.25 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 2qee h ASP 379 Cb 0.37 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2qee h ASP 379 CO -0.40 0.62 -0.09 0.11 -1.72 0.00 0.00 179.24 177.76 2qee h LYS 380 N 0.84 0.60 -0.44 3.56 6.56 -0.59 -0.45 116.57 126.65 2qee h LYS 380 Ca 0.22 -0.24 -0.06 0.00 -1.06 0.00 0.00 60.65 59.52 2qee h LYS 380 Cb 0.02 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.63 2qee h LYS 380 CO -0.04 0.80 0.06 1.88 -2.06 0.00 0.00 179.45 180.09 2qee h TYR 381 N 0.36 0.79 -0.88 -1.35 0.05 -0.71 -2.78 116.97 112.45 2qee h TYR 381 Ca 0.08 -0.12 0.07 0.00 0.05 0.00 0.00 58.73 58.81 2qee h TYR 381 Cb 0.58 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 38.05 2qee h TYR 381 CO 0.05 0.76 0.57 0.22 -1.05 0.00 0.00 178.16 178.72 2qee h ASP 382 N 0.60 0.87 -0.61 3.88 3.58 -0.40 0.37 116.42 124.71 2qee h ASP 382 Ca 0.13 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 2qee h ASP 382 Cb 0.40 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 2qee h ASP 382 CO 0.01 0.55 0.29 0.44 -2.88 0.00 0.00 179.24 177.66 2qee h ASP 383 N 0.98 0.79 1.15 2.28 3.32 -0.87 -0.71 116.42 123.37 2qee h ASP 383 Ca 0.38 -0.13 -0.15 0.00 0.02 0.00 0.00 57.03 57.15 2qee h ASP 383 Cb 0.22 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2qee h ASP 383 CO -0.14 0.70 -0.71 0.16 -1.72 0.00 0.00 179.24 177.53 2qee h ILE 384 N 0.83 1.27 -0.80 0.35 3.07 -1.13 -2.74 117.51 118.37 2qee h ILE 384 Ca 0.21 -2.65 0.00 0.00 1.55 0.00 0.00 64.86 63.97 2qee h ILE 384 Cb 0.12 2.53 -0.04 0.00 -0.27 0.00 0.00 36.82 39.16 2qee h ILE 384 CO -0.03 0.69 0.52 -0.07 -1.05 0.00 0.00 178.15 178.21 2qee h LEU 385 N 0.00 0.93 -1.82 0.16 4.07 -0.79 -0.55 115.31 117.31 2qee h LEU 385 Ca -0.01 -0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.89 2qee h LEU 385 Cb 1.48 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 42.98 2qee h LEU 385 CO 0.09 0.69 -0.12 1.56 -1.08 0.00 0.00 178.44 179.58 2qee h GLN 386 N 1.09 0.00 -0.02 1.13 4.20 -0.95 -1.05 115.11 119.51 2qee h GLN 386 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 2qee h GLN 386 Cb -0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 2qee h GLN 386 CO -0.06 0.12 0.00 0.00 -0.67 0.00 0.00 178.83 178.22 2qee n ALA 387 N -2.47 2.63 0.00 3.87 0.00 -0.90 -4.89 120.51 118.75 2qee n ALA 387 Ca -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2qee n ALA 387 Cb 0.20 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 1.06 0.50 3.78 0.00 0.00 -0.40 -5.07 105.19 105.06 2qee n GLY 388 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 2.71 -0.22 1.61 -0.11 -0.26 -4.98 118.94 115.69 2qee s TRP 389 Ca 0.00 1.55 -0.04 0.00 1.22 0.00 0.00 56.10 58.83 2qee s TRP 389 Cb 0.00 -3.27 -0.01 0.00 -1.50 0.00 0.00 33.47 28.69 2qee s TRP 389 CO 0.00 -1.49 -0.05 -1.21 -4.62 0.00 0.00 176.95 169.58 2qee s GLU 390 N -3.25 3.36 -0.04 5.86 2.02 -1.26 -4.16 118.70 121.23 2qee s GLU 390 Ca 0.72 -0.64 0.02 0.00 0.02 0.00 0.00 54.97 55.09 2qee s GLU 390 Cb -0.23 -3.00 -0.03 0.00 0.10 0.00 0.00 34.13 30.97 2qee s GLU 390 CO 0.26 -0.20 -0.05 0.14 0.02 0.00 0.00 175.26 175.43 2qee s VAL 391 N 1.47 3.79 0.20 2.63 -7.23 -1.26 -4.97 120.40 115.03 2qee s VAL 391 Ca 0.06 -0.58 0.07 0.00 -1.81 0.00 0.00 61.98 59.72 2qee s VAL 391 Cb -0.14 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 2qee s VAL 391 CO -0.04 0.50 0.08 0.42 -0.31 0.00 0.00 175.10 175.75 2qee s THR 392 N -0.92 4.05 0.39 5.32 -4.23 -1.26 -1.51 115.64 117.48 2qee s THR 392 Ca 0.15 -1.38 0.11 0.00 -1.18 0.00 0.00 61.69 59.39 2qee s THR 392 Cb -0.11 -3.09 0.15 0.00 1.34 0.00 0.00 72.50 70.79 2qee s THR 392 CO 0.05 -0.19 1.91 -0.08 -0.54 0.00 0.00 174.62 175.78 2qee h GLU 393 N 2.29 0.17 -0.30 3.99 4.81 -1.98 -1.33 114.58 122.24 2qee h GLU 393 Ca -0.47 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 58.61 2qee h GLU 393 Cb 1.21 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2qee h GLU 393 CO 0.60 0.35 -0.27 0.93 -0.73 0.00 0.00 179.01 179.89 2qee h GLU 394 N 0.16 0.60 -0.44 1.92 4.39 -1.99 0.42 114.58 119.65 2qee h GLU 394 Ca 0.03 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.40 2qee h GLU 394 Cb 0.40 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2qee h GLU 394 CO 0.03 0.82 -0.03 0.93 -1.16 0.00 0.00 179.01 179.59 2qee h GLU 395 N 0.52 0.81 -0.30 2.33 5.08 -1.76 -0.95 114.58 120.31 2qee h GLU 395 Ca 0.07 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2qee h GLU 395 Cb 0.74 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2qee h GLU 395 CO 0.06 0.89 0.18 0.82 -1.00 0.00 0.00 179.01 179.96 2qee h ILE 396 N 0.65 1.11 -0.34 3.13 2.04 -0.98 -0.87 117.51 122.24 2qee h ILE 396 Ca 0.12 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2qee h ILE 396 Cb 0.54 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2qee h ILE 396 CO 0.03 0.11 0.13 0.11 0.00 0.00 0.00 178.15 178.53 2qee h LYS 397 N 0.39 0.48 0.16 2.37 1.57 -0.70 -1.11 116.57 119.73 2qee h LYS 397 Ca 0.11 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2qee h LYS 397 Cb 0.02 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2qee h LYS 397 CO -0.02 0.41 -0.08 -0.09 -0.57 0.00 0.00 179.45 179.10 2qee h ARG 398 N 0.48 -0.21 -0.75 3.15 2.43 -0.79 -1.69 114.38 117.00 2qee h ARG 398 Ca 0.12 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.38 2qee h ARG 398 Cb 0.11 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 2qee h ARG 398 CO -0.01 0.14 0.43 -0.44 -1.51 0.00 0.00 179.97 178.58 2qee h ASP 399 N -0.58 0.63 -0.63 -3.80 3.32 -0.78 -1.00 116.42 113.58 2qee h ASP 399 Ca -0.02 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 2qee h ASP 399 Cb 0.44 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2qee h ASP 399 CO 0.04 0.39 0.09 0.58 -1.72 0.00 0.00 179.24 178.62 2qee h VAL 400 N 0.76 1.26 -0.70 -1.35 2.07 -1.22 -1.57 116.25 115.51 2qee h VAL 400 Ca 0.35 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 2qee h VAL 400 Cb 0.25 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2qee h VAL 400 CO -0.21 0.38 0.29 0.00 0.02 0.00 0.00 177.57 178.05 2qee h ALA 401 N 1.03 1.19 -0.07 1.67 0.00 -0.46 -1.45 119.26 121.16 2qee h ALA 401 Ca 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qee h ALA 401 Cb 0.45 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2qee h ALA 401 CO 0.01 0.59 0.04 -0.44 0.00 0.00 0.00 179.25 179.46 2qee h ASP 402 N 1.00 0.09 -0.44 0.00 3.32 -0.63 0.90 116.42 120.66 2qee h ASP 402 Ca 0.24 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2qee h ASP 402 Cb 0.18 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2qee h ASP 402 CO -0.02 0.12 0.24 -0.07 -1.72 0.00 0.00 179.24 177.79 2qee h LEU 403 N 0.06 0.55 -0.17 1.55 3.38 -1.05 -0.33 115.31 119.30 2qee h LEU 403 Ca 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2qee h LEU 403 Cb 0.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2qee h LEU 403 CO -0.00 0.48 -0.61 0.49 0.09 0.00 0.00 178.44 178.88 2qee n PHE 404 N -4.70 0.00 0.18 1.13 3.72 -0.57 -4.22 117.46 113.00 2qee n PHE 404 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2qee n PHE 404 Cb 0.08 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 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 -1.23 -2.87 0.01 4.37 2.88 -0.62 -1.61 113.62 114.56 2qee n SER 405 Ca 0.06 0.67 -0.03 0.00 -1.33 0.00 0.00 58.87 58.24 2qee n SER 405 Cb 0.35 2.78 0.20 0.00 -0.75 0.00 0.00 64.21 66.79 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 0.48 -0.41 -1.46 3.08 -0.81 -2.37 114.38 112.90 2qee h ARG 406 Ca 0.00 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 2qee h ARG 406 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2qee h ARG 406 CO 0.00 0.69 0.09 -0.91 -1.07 0.00 0.00 179.97 178.77 2qee h ASN 407 N 0.43 0.57 0.16 7.04 2.35 -1.27 -0.07 115.58 124.78 2qee h ASN 407 Ca 0.06 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2qee h ASN 407 Cb 0.66 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.88 2qee h ASN 407 CO 0.05 0.58 -0.08 0.15 -1.65 0.00 0.00 177.43 176.48 2qee h PHE 408 N 0.60 -0.20 -0.48 1.19 3.57 -1.66 -2.09 116.94 117.87 2qee h PHE 408 Ca 0.14 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 2qee h PHE 408 Cb 0.25 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 2qee h PHE 408 CO 0.01 0.18 0.03 -1.49 -2.23 0.00 0.00 178.31 174.81 2qee h TRP 409 N -0.62 0.81 -0.56 0.41 4.06 -1.20 -1.12 115.95 117.72 2qee h TRP 409 Ca -0.02 -0.10 -0.10 0.00 2.06 0.00 0.00 58.89 60.73 2qee h TRP 409 Cb 0.46 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 2qee h TRP 409 CO 0.05 0.73 -0.03 -0.09 -3.56 0.00 0.00 178.44 175.54 2qee h ARG 410 N 0.72 0.99 -0.43 0.49 2.43 -1.05 -0.90 114.38 116.64 2qee h ARG 410 Ca 0.15 -0.31 -0.14 0.00 -0.81 0.00 0.00 59.98 58.86 2qee h ARG 410 Cb 0.40 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2qee h ARG 410 CO 0.01 0.99 -0.30 0.35 -1.51 0.00 0.00 179.97 179.51 2qee h PHE 411 N 0.90 1.11 0.00 2.20 3.57 -0.61 -3.05 116.94 121.06 2qee h PHE 411 Ca 0.16 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 61.36 2qee h PHE 411 Cb 0.56 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2qee h PHE 411 CO 0.04 1.12 -0.33 1.33 -2.23 0.00 0.00 178.31 178.24 2qee n VAL 412 N -4.08 0.05 -2.48 1.41 0.24 -0.51 -4.87 118.33 108.09 2qee n VAL 412 Ca -0.01 -0.03 -0.06 0.00 -2.04 0.00 0.00 64.34 62.20 2qee n VAL 412 Cb 0.50 -0.06 0.01 0.00 -1.47 0.00 0.00 33.84 32.82 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 1.48 0.36 3.38 7.63 0.00 -0.42 -4.81 105.19 112.82 2qee n GLY 413 Ca 0.06 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.86 1.84 0.07 1.61 1.81 -0.75 -5.05 118.95 113.62 2qee s ARG 414 Ca 0.08 -2.09 0.09 0.00 -1.72 0.00 0.00 55.73 52.09 2qee s ARG 414 Cb -0.04 -0.07 -0.03 0.00 -0.45 0.00 0.00 34.95 34.36 2qee s ARG 414 CO 0.10 -0.58 -0.24 -0.80 -0.68 0.00 0.00 175.30 173.10 2qee s ASN 415 N -3.48 3.40 0.06 0.23 0.02 -1.26 -4.56 114.94 109.35 2qee s ASN 415 Ca 0.33 -0.60 -0.11 0.00 -1.02 0.00 0.00 52.86 51.46 2qee s ASN 415 Cb 0.02 -0.36 -0.28 0.00 0.02 0.00 0.00 41.25 40.65 2qee s ASN 415 CO 0.22 0.23 1.11 -2.24 0.02 0.00 0.00 177.10 176.44 2qee h ASP 416 N 4.40 0.70 0.00 -1.22 -0.00 -1.99 -3.52 116.42 114.79 2qee h ASP 416 Ca -0.48 -0.69 0.00 0.00 -0.00 0.00 0.00 57.03 55.86 2qee h ASP 416 Cb 1.15 -0.22 0.00 0.00 -0.00 0.00 0.00 39.33 40.26 2qee h ASP 416 CO 0.43 1.52 0.00 0.00 -0.00 0.00 0.00 179.24 181.19