#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xlf s GLN 3 N 0.00 1.28 0.43 7.34 -1.52 -1.26 -4.90 119.66 121.03 1xlf s GLN 3 Ca 0.00 -0.25 -0.24 0.00 -1.95 0.00 0.00 55.36 52.92 1xlf s GLN 3 Cb 0.00 -1.59 -0.08 0.00 -0.22 0.00 0.00 33.01 31.12 1xlf s GLN 3 CO 0.00 -0.33 1.15 -1.25 -0.25 0.00 0.00 175.29 174.61 1xlf s PRO 4 N 1.75 3.92 0.12 2.91 0.04 -1.26 -5.05 135.00 137.43 1xlf s PRO 4 Ca 0.04 1.76 0.06 0.00 0.04 0.00 0.00 61.00 62.89 1xlf s PRO 4 Cb -0.13 -2.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 1xlf s PRO 4 CO -0.08 -0.41 -0.14 0.95 0.04 0.00 0.00 177.00 177.37 1xlf s THR 5 N -1.52 1.29 0.62 1.26 -4.23 -1.26 -4.69 115.64 107.12 1xlf s THR 5 Ca 0.60 -1.68 0.21 0.00 -1.18 0.00 0.00 61.69 59.65 1xlf s THR 5 Cb -0.28 -1.48 0.29 0.00 1.34 0.00 0.00 72.50 72.36 1xlf s THR 5 CO 0.35 -0.41 1.41 -0.65 -0.54 0.00 0.00 174.62 174.78 1xlf h PRO 6 N 3.59 0.00 -0.45 3.99 0.11 -1.83 0.24 132.00 137.65 1xlf h PRO 6 Ca -0.40 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.77 1xlf h PRO 6 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1xlf h PRO 6 CO 0.50 0.00 0.30 0.00 -0.21 0.00 0.00 178.00 178.59 1xlf h ALA 7 N 0.66 1.97 -0.22 -0.75 0.00 -1.96 -2.66 119.26 116.30 1xlf h ALA 7 Ca 0.27 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 1xlf h ALA 7 Cb 2.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 1xlf h ALA 7 CO -0.00 -0.06 -0.43 -0.44 0.00 0.00 0.00 179.25 178.32 1xlf h ASP 8 N 0.35 0.57 -2.30 0.00 3.32 -0.90 -3.48 116.42 113.98 1xlf h ASP 8 Ca 0.20 -0.26 -0.16 0.00 0.02 0.00 0.00 57.03 56.83 1xlf h ASP 8 Cb 0.33 -0.16 0.03 0.00 0.22 0.00 0.00 39.33 39.76 1xlf h ASP 8 CO -0.05 0.93 -0.24 1.41 -1.72 0.00 0.00 179.24 179.57 1xlf n HIS 9 N -4.01 -0.87 -2.54 4.55 8.25 -1.00 -4.72 115.22 114.86 1xlf n HIS 9 Ca -0.02 0.26 -0.43 0.00 -0.26 0.00 0.00 57.72 57.27 1xlf n HIS 9 Cb 0.53 -2.42 -0.02 0.00 1.12 0.00 0.00 29.99 29.19 1xlf n HIS 9 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1xlf s PHE 10 N -2.88 3.13 0.13 4.41 0.08 -1.26 -1.45 117.98 120.13 1xlf s PHE 10 Ca 0.15 1.26 0.10 0.00 0.12 0.00 0.00 56.93 58.56 1xlf s PHE 10 Cb -0.07 -3.38 -0.04 0.00 -0.57 0.00 0.00 43.02 38.97 1xlf s PHE 10 CO 0.19 -1.06 -0.24 0.95 -0.10 0.00 0.00 175.22 174.96 1xlf s THR 11 N 3.14 2.03 0.02 0.64 -4.23 -0.92 -0.40 115.64 115.91 1xlf s THR 11 Ca 0.50 -1.71 0.01 0.00 -1.18 0.00 0.00 61.69 59.31 1xlf s THR 11 Cb -0.19 -1.83 -0.01 0.00 1.34 0.00 0.00 72.50 71.81 1xlf s THR 11 CO 0.12 -0.01 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.80 1xlf s PHE 12 N -1.21 0.30 0.38 3.99 0.40 -1.12 -1.38 117.98 119.34 1xlf s PHE 12 Ca 0.12 -0.32 -0.06 0.00 -0.60 0.00 0.00 56.93 56.07 1xlf s PHE 12 Cb -0.10 -0.20 -0.05 0.00 0.51 0.00 0.00 43.02 43.19 1xlf s PHE 12 CO 0.06 -0.09 0.68 0.20 0.70 0.00 0.00 175.22 176.76 1xlf s GLY 13 N -0.91 1.73 0.31 4.36 0.00 -1.25 -0.80 107.32 110.76 1xlf s GLY 13 Ca -0.08 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.19 1xlf s GLY 13 CO -0.00 -0.33 1.83 -2.00 0.00 0.00 0.00 173.10 172.59 1xlf h LEU 14 N 1.07 0.56 -1.54 0.66 5.85 -1.04 -2.28 115.31 118.59 1xlf h LEU 14 Ca -0.48 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.10 1xlf h LEU 14 Cb 1.20 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 1xlf h LEU 14 CO 0.64 0.65 -0.11 4.11 -0.34 0.00 0.00 178.44 183.38 1xlf h TRP 15 N 0.56 0.00 0.15 1.25 0.09 -1.92 -0.97 115.95 115.11 1xlf h TRP 15 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 59.09 1xlf h TRP 15 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.64 1xlf h TRP 15 CO 0.02 0.11 -0.07 1.79 0.09 0.00 0.00 178.44 180.38 1xlf h THR 16 N 0.00 0.00 0.00 0.12 1.35 -1.62 -1.38 112.91 111.38 1xlf h THR 16 Ca -0.00 -0.15 -0.02 0.00 -0.55 0.00 0.00 66.41 65.69 1xlf h THR 16 Cb 0.52 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.94 1xlf h THR 16 CO 0.01 0.00 -0.10 -0.37 -0.25 0.00 0.00 175.52 174.82 1xlf h VAL 17 N -0.35 0.26 0.00 6.82 -1.51 -1.70 -2.22 116.25 117.54 1xlf h VAL 17 Ca -0.02 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 1xlf h VAL 17 Cb 0.16 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 1xlf h VAL 17 CO 0.03 0.10 -0.03 0.61 -1.23 0.00 0.00 177.57 177.05 1xlf n GLY 18 N 0.05 -1.54 3.66 5.19 0.00 -0.37 -4.84 105.19 107.35 1xlf n GLY 18 Ca 0.00 -0.09 -0.45 0.00 0.00 0.00 0.00 46.02 45.48 1xlf n GLY 18 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1xlf n TRP 19 N -1.68 2.40 0.77 1.61 -0.00 -0.52 -4.60 117.44 115.41 1xlf n TRP 19 Ca 0.07 -0.20 0.13 0.00 -0.00 0.00 0.00 57.50 57.49 1xlf n TRP 19 Cb 0.36 -2.74 0.49 0.00 -0.00 0.00 0.00 31.31 29.42 1xlf n TRP 19 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1xlf n THR 20 N 5.53 0.37 -0.10 5.87 -1.04 -1.26 -4.87 114.28 118.79 1xlf n THR 20 Ca 0.22 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1xlf n THR 20 Cb 0.36 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 1xlf n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xlf n GLY 21 N 1.31 0.65 3.75 3.41 0.00 -1.26 -0.76 105.19 112.29 1xlf n GLY 21 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1xlf n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xlf s ALA 22 N -2.15 3.41 0.00 4.61 0.00 -1.26 -4.47 121.76 121.90 1xlf s ALA 22 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1xlf s ALA 22 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1xlf s ALA 22 CO 0.00 -0.26 0.00 -0.40 0.00 0.00 0.00 175.76 175.10 1xlf n ASP 23 N 1.89 0.68 0.26 0.00 5.68 -0.06 -4.92 116.55 120.08 1xlf n ASP 23 Ca 0.02 -0.92 0.13 0.00 -0.50 0.00 0.00 54.79 53.52 1xlf n ASP 23 Cb 0.45 0.00 0.68 0.00 -1.14 0.00 0.00 41.12 41.11 1xlf n ASP 23 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 1xlf h PRO 24 N 0.00 0.00 -0.02 0.11 0.11 -2.01 -3.21 132.00 126.98 1xlf h PRO 24 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1xlf h PRO 24 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1xlf h PRO 24 CO 0.00 0.13 -0.10 1.19 -0.21 0.00 0.00 178.00 179.01 1xlf n PHE 25 N -3.49 0.00 -3.64 0.65 3.72 -1.26 -5.05 117.46 108.39 1xlf n PHE 25 Ca -0.01 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.32 1xlf n PHE 25 Cb 0.29 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.81 1xlf n PHE 25 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1xlf s GLY 26 N -1.63 -0.35 0.78 1.37 0.00 -1.21 -5.17 107.32 101.10 1xlf s GLY 26 Ca 0.19 0.40 -0.11 0.00 0.00 0.00 0.00 44.72 45.19 1xlf s GLY 26 CO 0.28 0.12 1.15 -1.34 0.00 0.00 0.00 173.10 173.31 1xlf s VAL 27 N -3.41 2.36 0.41 1.40 -7.23 -1.26 -0.88 120.40 111.79 1xlf s VAL 27 Ca 0.08 0.09 -0.26 0.00 -1.81 0.00 0.00 61.98 60.07 1xlf s VAL 27 Cb -0.02 -3.11 -0.10 0.00 0.56 0.00 0.00 36.38 33.71 1xlf s VAL 27 CO -0.03 -0.14 1.35 0.00 -0.31 0.00 0.00 175.10 175.97 1xlf n ALA 28 N -3.22 1.67 0.69 1.32 0.00 -1.26 -4.17 120.51 115.54 1xlf n ALA 28 Ca 0.08 0.29 0.07 0.00 0.00 0.00 0.00 53.44 53.88 1xlf n ALA 28 Cb 0.60 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.68 1xlf n ALA 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xlf n THR 29 N 0.00 0.00 -4.25 0.00 -2.24 0.06 -4.86 114.28 102.99 1xlf n THR 29 Ca 0.05 -0.23 -0.20 0.00 -2.27 0.00 0.00 64.05 61.40 1xlf n THR 29 Cb 0.39 1.08 -0.12 0.00 -2.10 0.00 0.00 70.33 69.59 1xlf n THR 29 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xlf s ARG 30 N -2.15 1.05 0.68 -0.78 0.52 -0.94 -5.02 118.95 112.31 1xlf s ARG 30 Ca 0.09 -1.20 -0.11 0.00 -0.52 0.00 0.00 55.73 53.99 1xlf s ARG 30 Cb 0.12 -1.06 0.00 0.00 0.52 0.00 0.00 34.95 34.53 1xlf s ARG 30 CO 0.51 0.22 1.06 -1.59 0.02 0.00 0.00 175.30 175.52 1xlf s LYS 31 N -2.36 3.04 0.57 3.54 0.00 -1.26 -4.80 119.74 118.46 1xlf s LYS 31 Ca 0.07 0.77 -0.21 0.00 0.00 0.00 0.00 55.97 56.61 1xlf s LYS 31 Cb -0.07 -2.02 -0.04 0.00 0.00 0.00 0.00 37.83 35.70 1xlf s LYS 31 CO 0.04 -0.98 1.30 -0.80 0.00 0.00 0.00 175.35 174.91 1xlf s ASN 32 N -4.03 5.20 -0.21 0.03 -0.87 -1.26 -4.88 114.94 108.92 1xlf s ASN 32 Ca 0.57 2.62 -0.16 0.00 -1.57 0.00 0.00 52.86 54.32 1xlf s ASN 32 Cb -0.13 -2.62 -0.04 0.00 -0.02 0.00 0.00 41.25 38.45 1xlf s ASN 32 CO 0.54 -1.61 0.43 -0.22 -2.57 0.00 0.00 177.10 173.67 1xlf s LEU 33 N -3.75 4.13 0.21 0.60 2.96 -1.26 -5.05 118.68 116.52 1xlf s LEU 33 Ca 0.74 0.52 -0.30 0.00 -0.22 0.00 0.00 54.13 54.87 1xlf s LEU 33 Cb -0.37 -2.55 -0.09 0.00 0.50 0.00 0.00 46.19 43.68 1xlf s LEU 33 CO 0.42 -0.12 1.40 -0.62 -1.32 0.00 0.00 176.35 176.11 1xlf s ASP 34 N 1.16 6.74 0.39 3.68 -1.08 -1.26 -4.92 116.67 121.38 1xlf s ASP 34 Ca 0.20 2.54 0.07 0.00 -0.52 0.00 0.00 52.55 54.84 1xlf s ASP 34 Cb -0.15 -2.61 0.78 0.00 -1.46 0.00 0.00 42.92 39.47 1xlf s ASP 34 CO 0.09 -0.65 1.98 1.55 0.52 0.00 0.00 175.17 178.65 1xlf h PRO 35 N 5.46 0.46 -0.31 4.34 0.13 -1.96 -2.13 132.00 137.99 1xlf h PRO 35 Ca -0.45 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1xlf h PRO 35 Cb 1.21 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1xlf h PRO 35 CO 0.80 0.41 0.17 0.28 -0.23 0.00 0.00 178.00 179.43 1xlf h VAL 36 N 0.46 1.13 -0.54 1.56 2.07 -1.91 -2.09 116.25 116.93 1xlf h VAL 36 Ca 0.11 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1xlf h VAL 36 Cb 0.14 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1xlf h VAL 36 CO -0.01 0.13 0.14 -0.08 0.02 0.00 0.00 177.57 177.78 1xlf h GLU 37 N 0.38 0.87 -0.11 1.57 4.81 -1.84 -2.75 114.58 117.50 1xlf h GLU 37 Ca 0.11 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1xlf h GLU 37 Cb 0.06 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.27 1xlf h GLU 37 CO -0.02 0.81 -0.22 0.00 -0.73 0.00 0.00 179.01 178.86 1xlf h ALA 38 N 1.02 -0.19 -0.65 2.92 0.00 -1.09 0.43 119.26 121.70 1xlf h ALA 38 Ca 0.17 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.20 1xlf h ALA 38 Cb 0.33 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1xlf h ALA 38 CO 0.00 -0.68 0.31 0.28 0.00 0.00 0.00 179.25 179.16 1xlf h VAL 39 N -0.29 0.85 0.02 0.00 2.07 -1.33 0.03 116.25 117.61 1xlf h VAL 39 Ca 0.09 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1xlf h VAL 39 Cb 0.42 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1xlf h VAL 39 CO -0.27 0.10 -0.01 0.45 0.02 0.00 0.00 177.57 177.86 1xlf h HIS 40 N 0.54 -0.03 -0.29 1.57 -0.00 -1.15 -1.28 115.15 114.51 1xlf h HIS 40 Ca 0.32 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.74 1xlf h HIS 40 Cb 0.32 0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 27.69 1xlf h HIS 40 CO -0.12 0.55 -0.02 0.87 -0.00 0.00 0.00 177.93 179.21 1xlf h LYS 41 N -0.63 0.06 -0.38 2.45 6.56 0.06 -0.86 116.57 123.83 1xlf h LYS 41 Ca -0.00 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1xlf h LYS 41 Cb 0.59 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.22 1xlf h LYS 41 CO 0.00 0.04 0.24 -0.07 -2.06 0.00 0.00 179.45 177.61 1xlf h LEU 42 N 0.06 0.44 -0.15 2.94 3.38 -1.04 -2.03 115.31 118.91 1xlf h LEU 42 Ca 0.14 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1xlf h LEU 42 Cb 0.19 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1xlf h LEU 42 CO -0.25 0.34 -0.11 0.00 0.09 0.00 0.00 178.44 178.51 1xlf h ALA 43 N 1.12 0.02 0.00 1.53 0.00 -0.80 -1.85 119.26 119.28 1xlf h ALA 43 Ca 0.14 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1xlf h ALA 43 Cb -0.04 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xlf h ALA 43 CO -0.03 -0.55 -0.08 0.93 0.00 0.00 0.00 179.25 179.52 1xlf h GLU 44 N -0.11 0.00 0.00 0.00 5.08 -0.50 -2.72 114.58 116.33 1xlf h GLU 44 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1xlf h GLU 44 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1xlf h GLU 44 CO -0.22 0.08 -0.06 -0.07 -1.00 0.00 0.00 179.01 177.74 1xlf h LEU 45 N 0.00 0.00 0.00 1.33 3.38 -0.70 -3.47 115.31 115.85 1xlf h LEU 45 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xlf h LEU 45 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1xlf h LEU 45 CO 0.01 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1xlf n GLY 46 N 1.27 1.31 3.74 0.83 0.00 -1.03 -4.71 105.19 106.61 1xlf n GLY 46 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1xlf n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xlf s ALA 47 N -2.00 2.40 -0.13 4.61 0.00 -0.78 -3.73 121.76 122.13 1xlf s ALA 47 Ca 0.00 1.04 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 1xlf s ALA 47 Cb 0.00 -3.49 -0.25 0.00 0.00 0.00 0.00 23.12 19.38 1xlf s ALA 47 CO 0.00 -1.45 0.42 -0.92 0.00 0.00 0.00 175.76 173.81 1xlf h TYR 48 N 0.52 0.35 -3.28 0.00 3.20 -1.00 -3.43 116.97 113.33 1xlf h TYR 48 Ca -0.50 -0.26 -0.04 0.00 3.14 0.00 0.00 58.73 61.08 1xlf h TYR 48 Cb 1.31 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.52 1xlf h TYR 48 CO 0.45 1.61 0.12 0.20 -1.64 0.00 0.00 178.16 178.91 1xlf s GLY 49 N -5.14 0.43 0.11 1.82 0.00 -1.08 -3.11 107.32 100.35 1xlf s GLY 49 Ca -0.23 -0.76 0.07 0.00 0.00 0.00 0.00 44.72 43.80 1xlf s GLY 49 CO 0.73 -0.40 -0.18 -1.50 0.00 0.00 0.00 173.10 171.74 1xlf s ILE 50 N -3.19 1.51 0.13 0.90 2.07 -0.51 -2.79 121.20 119.32 1xlf s ILE 50 Ca 0.18 -1.56 0.02 0.00 -1.41 0.00 0.00 60.65 57.88 1xlf s ILE 50 Cb -0.04 -1.46 -0.04 0.00 0.13 0.00 0.00 42.46 41.05 1xlf s ILE 50 CO 0.11 -0.19 -0.05 0.42 -1.91 0.00 0.00 174.94 173.32 1xlf s THR 51 N -1.46 0.74 0.24 4.00 -4.23 0.02 -3.92 115.64 111.03 1xlf s THR 51 Ca 0.06 -1.96 -0.20 0.00 -1.18 0.00 0.00 61.69 58.40 1xlf s THR 51 Cb -0.09 -1.84 0.03 0.00 1.34 0.00 0.00 72.50 71.94 1xlf s THR 51 CO 0.04 -0.73 0.65 0.72 -0.54 0.00 0.00 174.62 174.76 1xlf s PHE 52 N -3.60 -0.22 -0.09 3.99 -0.71 -1.25 -0.28 117.98 115.82 1xlf s PHE 52 Ca 0.16 -0.16 -0.05 0.00 -1.04 0.00 0.00 56.93 55.84 1xlf s PHE 52 Cb 0.05 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.43 1xlf s PHE 52 CO -0.01 -1.10 0.11 -1.01 -1.34 0.00 0.00 175.22 171.86 1xlf s HIS 53 N -3.88 3.47 0.18 3.49 3.76 -1.26 -1.26 115.29 119.78 1xlf s HIS 53 Ca 0.09 0.41 -0.26 0.00 -0.15 0.00 0.00 55.06 55.15 1xlf s HIS 53 Cb -0.04 -1.88 0.03 0.00 1.11 0.00 0.00 32.58 31.81 1xlf s HIS 53 CO 0.02 0.65 1.53 -0.40 -0.85 0.00 0.00 174.74 175.68 1xlf n ASP 54 N 1.83 -0.91 0.00 1.40 5.75 -0.70 -0.24 116.55 123.69 1xlf n ASP 54 Ca -0.18 1.75 0.11 0.00 -0.01 0.00 0.00 54.79 56.45 1xlf n ASP 54 Cb 0.54 -0.28 0.61 0.00 -1.03 0.00 0.00 41.12 40.96 1xlf n ASP 54 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1xlf n ASN 55 N -5.31 0.00 0.02 -1.12 4.13 -1.24 -1.44 115.26 110.30 1xlf n ASN 55 Ca 0.05 -0.49 -0.11 0.00 1.68 0.00 0.00 54.58 55.71 1xlf n ASN 55 Cb 0.30 -0.08 0.02 0.00 -1.54 0.00 0.00 39.78 38.48 1xlf n ASN 55 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 1xlf h ASP 56 N 0.00 0.61 0.00 6.41 3.32 -1.02 -3.38 116.42 122.36 1xlf h ASP 56 Ca 0.00 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1xlf h ASP 56 Cb 0.06 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1xlf h ASP 56 CO 0.00 1.12 -0.06 -0.11 -1.72 0.00 0.00 179.24 178.47 1xlf n LEU 57 N -3.89 0.22 -4.52 1.55 7.94 -1.10 -4.92 117.00 112.29 1xlf n LEU 57 Ca -0.05 0.29 -0.41 0.00 -1.11 0.00 0.00 56.01 54.74 1xlf n LEU 57 Cb 0.69 -0.54 -0.10 0.00 0.53 0.00 0.00 43.42 43.99 1xlf n LEU 57 CO 0.49 -0.50 -0.12 -0.63 -1.11 0.00 0.00 177.39 175.52 1xlf s ILE 58 N -1.15 5.28 0.78 1.96 1.01 -0.52 -5.05 121.20 123.50 1xlf s ILE 58 Ca -0.02 -0.29 -0.15 0.00 0.00 0.00 0.00 60.65 60.19 1xlf s ILE 58 Cb 0.00 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.73 1xlf s ILE 58 CO 0.03 -0.06 0.69 -2.65 0.00 0.00 0.00 174.94 172.95 1xlf n PRO 59 N 5.11 0.22 -0.09 2.79 -0.02 -1.26 -3.69 135.00 138.06 1xlf n PRO 59 Ca -0.12 0.13 -0.07 0.00 -2.02 0.00 0.00 63.50 61.42 1xlf n PRO 59 Cb 0.49 -2.00 0.01 0.00 -0.02 0.00 0.00 33.50 31.98 1xlf n PRO 59 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1xlf h PHE 60 N -0.64 0.11 -0.25 6.00 3.57 -1.96 -2.59 116.94 121.19 1xlf h PHE 60 Ca -0.46 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1xlf h PHE 60 Cb 1.33 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.06 1xlf h PHE 60 CO 0.38 0.02 0.00 -0.40 -2.23 0.00 0.00 178.31 176.09 1xlf n ASP 61 N -5.09 1.32 -4.70 0.41 5.68 -1.26 -5.00 116.55 107.91 1xlf n ASP 61 Ca 0.00 -2.00 -0.44 0.00 -0.50 0.00 0.00 54.79 51.86 1xlf n ASP 61 Cb 0.14 -0.16 -0.03 0.00 -1.14 0.00 0.00 41.12 39.92 1xlf n ASP 61 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xlf n ALA 62 N 0.22 1.93 -1.49 2.12 0.00 -0.98 -5.01 120.51 117.30 1xlf n ALA 62 Ca 0.08 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.64 1xlf n ALA 62 Cb 0.21 -2.40 0.14 0.00 0.00 0.00 0.00 19.45 17.40 1xlf n ALA 62 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xlf s THR 63 N 0.49 2.05 0.22 0.00 -4.23 -1.26 -4.81 115.64 108.09 1xlf s THR 63 Ca 0.72 0.02 -0.07 0.00 -1.18 0.00 0.00 61.69 61.17 1xlf s THR 63 Cb -0.59 -2.73 0.15 0.00 1.34 0.00 0.00 72.50 70.67 1xlf s THR 63 CO 0.42 -0.02 1.77 1.05 -0.54 0.00 0.00 174.62 177.30 1xlf h GLU 64 N -1.53 1.16 0.37 3.99 9.09 -1.99 -1.66 114.58 124.00 1xlf h GLU 64 Ca -0.51 -0.23 -0.02 0.00 0.05 0.00 0.00 59.36 58.65 1xlf h GLU 64 Cb 1.33 -0.18 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 1xlf h GLU 64 CO 0.61 0.96 -0.18 0.00 0.05 0.00 0.00 179.01 180.46 1xlf h ALA 65 N 1.16 -0.49 -0.63 1.06 0.00 -1.99 -1.25 119.26 117.12 1xlf h ALA 65 Ca 0.25 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1xlf h ALA 65 Cb 0.27 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1xlf h ALA 65 CO -0.01 -0.67 0.25 0.93 0.00 0.00 0.00 179.25 179.75 1xlf h GLU 66 N -0.70 0.43 -0.43 0.00 5.08 -1.86 -1.80 114.58 115.29 1xlf h GLU 66 Ca -0.05 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1xlf h GLU 66 Cb 0.49 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1xlf h GLU 66 CO 0.08 0.28 0.23 -0.09 -1.00 0.00 0.00 179.01 178.51 1xlf h ARG 67 N 0.44 0.44 -0.62 2.33 2.43 -1.10 -1.64 114.38 116.67 1xlf h ARG 67 Ca 0.32 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.53 1xlf h ARG 67 Cb 0.39 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 1xlf h ARG 67 CO -0.31 0.29 0.32 1.49 -1.51 0.00 0.00 179.97 180.25 1xlf h GLU 68 N 0.45 0.57 0.88 0.20 4.57 -0.73 -1.25 114.58 119.27 1xlf h GLU 68 Ca 0.18 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.29 1xlf h GLU 68 Cb 0.08 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1xlf h GLU 68 CO -0.12 0.38 -0.42 -0.22 -1.18 0.00 0.00 179.01 177.44 1xlf h LYS 69 N 0.59 -1.14 -0.52 1.92 3.11 -0.48 -1.63 116.57 118.41 1xlf h LYS 69 Ca 0.28 0.08 0.10 0.00 -2.81 0.00 0.00 60.65 58.30 1xlf h LYS 69 Cb 0.21 0.26 -0.10 0.00 -1.00 0.00 0.00 32.23 31.61 1xlf h LYS 69 CO -0.20 -0.76 -0.10 0.82 -2.81 0.00 0.00 179.45 176.40 1xlf h ILE 70 N -1.19 0.50 -0.81 2.00 2.04 -1.34 0.30 117.51 119.00 1xlf h ILE 70 Ca -0.12 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1xlf h ILE 70 Cb 0.91 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1xlf h ILE 70 CO 0.20 0.00 0.42 -0.07 0.00 0.00 0.00 178.15 178.71 1xlf h LEU 71 N 0.02 1.03 -0.44 1.44 3.38 -1.15 -0.33 115.31 119.27 1xlf h LEU 71 Ca 0.25 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1xlf h LEU 71 Cb 0.39 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1xlf h LEU 71 CO -0.51 0.84 0.06 1.23 0.09 0.00 0.00 178.44 180.15 1xlf h GLY 72 N 1.17 0.79 0.80 0.83 0.00 -0.01 0.14 103.07 106.80 1xlf h GLY 72 Ca 0.28 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1xlf h GLY 72 CO -0.04 0.49 0.01 -0.55 0.00 0.00 0.00 176.54 176.45 1xlf h ASP 73 N 0.59 0.28 -0.26 0.19 3.32 -0.02 -2.01 116.42 118.50 1xlf h ASP 73 Ca 0.13 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 1xlf h ASP 73 Cb 0.39 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1xlf h ASP 73 CO 0.01 0.50 -0.01 0.15 -1.72 0.00 0.00 179.24 178.18 1xlf h PHE 74 N 0.05 0.51 -0.21 4.55 3.57 -0.90 -2.36 116.94 122.15 1xlf h PHE 74 Ca 0.05 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 1xlf h PHE 74 Cb 0.35 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1xlf h PHE 74 CO 0.03 0.63 -0.08 -0.91 -2.23 0.00 0.00 178.31 175.75 1xlf h ASN 75 N 0.24 0.30 0.53 0.41 -0.26 -0.76 -2.24 115.58 113.80 1xlf h ASN 75 Ca 0.07 -0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.74 1xlf h ASN 75 Cb 0.43 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.60 1xlf h ASN 75 CO 0.01 0.43 -0.39 -0.61 -1.06 0.00 0.00 177.43 175.81 1xlf h GLN 76 N 0.31 -0.87 -0.57 0.81 5.75 -1.18 -0.75 115.11 118.61 1xlf h GLN 76 Ca 0.07 0.06 0.11 0.00 -0.15 0.00 0.00 58.65 58.74 1xlf h GLN 76 Cb 0.34 0.20 -0.09 0.00 1.07 0.00 0.00 27.48 29.00 1xlf h GLN 76 CO 0.02 -0.58 0.03 0.00 -2.65 0.00 0.00 178.83 175.65 1xlf h ALA 77 N -0.58 0.59 -0.61 3.38 0.00 -1.14 0.33 119.26 121.23 1xlf h ALA 77 Ca -0.06 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1xlf h ALA 77 Cb 0.76 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1xlf h ALA 77 CO 0.01 -0.37 0.26 -0.07 0.00 0.00 0.00 179.25 179.08 1xlf h LEU 78 N 0.15 0.82 0.07 0.00 3.38 -1.35 -0.56 115.31 117.81 1xlf h LEU 78 Ca 0.30 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1xlf h LEU 78 Cb 0.46 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xlf h LEU 78 CO -0.46 0.75 -0.03 0.11 0.09 0.00 0.00 178.44 178.90 1xlf h LYS 79 N 0.84 -0.09 -1.00 1.13 1.57 0.44 0.25 116.57 119.71 1xlf h LYS 79 Ca 0.20 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.09 1xlf h LYS 79 Cb 0.17 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.43 1xlf h LYS 79 CO -0.02 0.12 0.64 -0.44 -0.57 0.00 0.00 179.45 179.18 1xlf h ASP 80 N -0.28 0.97 0.01 0.86 3.32 -0.21 -3.24 116.42 117.83 1xlf h ASP 80 Ca -0.01 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 56.94 1xlf h ASP 80 Cb 0.25 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1xlf h ASP 80 CO 0.02 0.56 -2.13 0.35 -1.72 0.00 0.00 179.24 176.31 1xlf n THR 81 N -4.57 0.51 -0.47 0.35 -2.24 -0.24 -5.00 114.28 102.62 1xlf n THR 81 Ca 0.18 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1xlf n THR 81 Cb 0.29 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1xlf n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xlf n GLY 82 N 1.44 0.74 3.77 3.38 0.00 0.86 -5.02 105.19 110.37 1xlf n GLY 82 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1xlf n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xlf s LEU 83 N 0.00 4.31 0.46 0.99 1.02 -1.21 -5.01 118.68 119.25 1xlf s LEU 83 Ca 0.00 2.58 -0.04 0.00 0.02 0.00 0.00 54.13 56.70 1xlf s LEU 83 Cb 0.00 -3.81 -0.03 0.00 0.02 0.00 0.00 46.19 42.37 1xlf s LEU 83 CO 0.00 -0.65 0.74 -0.75 0.02 0.00 0.00 176.35 175.70 1xlf s LYS 84 N -2.04 3.44 -0.60 1.70 2.47 -1.18 -4.84 119.74 118.69 1xlf s LYS 84 Ca 0.53 0.02 0.04 0.00 -1.56 0.00 0.00 55.97 55.01 1xlf s LYS 84 Cb -0.37 -2.44 0.16 0.00 -1.46 0.00 0.00 37.83 33.72 1xlf s LYS 84 CO 0.48 -0.18 0.41 0.08 0.16 0.00 0.00 175.35 176.30 1xlf s VAL 85 N -2.66 2.24 0.13 4.02 1.01 -1.26 -1.42 120.40 122.46 1xlf s VAL 85 Ca 0.46 -3.68 0.15 0.00 0.00 0.00 0.00 61.98 58.91 1xlf s VAL 85 Cb -0.10 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.84 1xlf s VAL 85 CO 0.43 -1.01 1.61 -0.65 0.00 0.00 0.00 175.10 175.48 1xlf h PRO 86 N 5.72 0.00 -3.70 2.72 0.11 -1.85 -2.75 132.00 132.26 1xlf h PRO 86 Ca 0.12 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.06 1xlf h PRO 86 Cb 0.82 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 31.70 1xlf h PRO 86 CO 0.63 0.51 -0.61 1.41 -0.21 0.00 0.00 178.00 179.73 1xlf s MET 87 N -3.41 0.31 0.03 1.05 -2.45 -1.26 -1.39 119.30 112.18 1xlf s MET 87 Ca 0.01 -0.34 0.02 0.00 -1.25 0.00 0.00 55.69 54.12 1xlf s MET 87 Cb 0.11 0.12 -0.02 0.00 1.25 0.00 0.00 34.83 36.29 1xlf s MET 87 CO 0.73 -0.06 -0.06 0.08 1.05 0.00 0.00 175.02 176.75 1xlf s VAL 88 N -1.03 0.42 0.22 10.11 1.01 -0.87 -3.85 120.40 126.40 1xlf s VAL 88 Ca -0.11 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 1xlf s VAL 88 Cb -0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1xlf s VAL 88 CO 0.00 -0.32 0.15 0.28 0.00 0.00 0.00 175.10 175.22 1xlf s THR 89 N -1.16 0.00 -0.01 3.92 -1.32 -0.39 -2.60 115.64 114.08 1xlf s THR 89 Ca -0.09 -1.99 0.04 0.00 -1.21 0.00 0.00 61.69 58.44 1xlf s THR 89 Cb -0.08 -2.50 -0.03 0.00 -1.51 0.00 0.00 72.50 68.38 1xlf s THR 89 CO 0.00 0.00 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.40 1xlf s THR 90 N -4.08 3.28 -0.53 5.08 2.01 -1.26 -1.71 115.64 118.43 1xlf s THR 90 Ca 0.39 -0.83 -0.19 0.00 0.31 0.00 0.00 61.69 61.37 1xlf s THR 90 Cb 0.06 -2.37 0.07 0.00 0.01 0.00 0.00 72.50 70.27 1xlf s THR 90 CO 0.14 0.46 0.66 0.21 -0.69 0.00 0.00 174.62 175.40 1xlf s ASN 91 N -1.16 6.22 -0.33 3.53 3.84 -1.26 -4.85 114.94 120.93 1xlf s ASN 91 Ca 0.14 -0.98 0.07 0.00 0.21 0.00 0.00 52.86 52.31 1xlf s ASN 91 Cb -0.11 -2.30 0.50 0.00 -0.55 0.00 0.00 41.25 38.79 1xlf s ASN 91 CO 0.04 -0.96 1.49 0.18 -2.79 0.00 0.00 177.10 175.07 1xlf n LEU 92 N 6.28 4.62 0.00 3.21 4.77 -1.26 -4.75 117.00 129.87 1xlf n LEU 92 Ca -0.07 -3.97 0.00 0.00 -0.03 0.00 0.00 56.01 51.95 1xlf n LEU 92 Cb 0.45 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1xlf n LEU 92 CO 0.55 1.40 0.00 2.22 -1.33 0.00 0.00 177.39 180.24 1xlf n PHE 93 N -1.06 0.00 0.05 -1.77 1.16 -1.26 -4.45 117.46 110.14 1xlf n PHE 93 Ca 0.38 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.78 1xlf n PHE 93 Cb 1.02 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.74 1xlf n PHE 93 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 1xlf h SER 94 N 0.00 0.40 -3.86 5.98 0.02 -1.94 -3.46 113.55 110.70 1xlf h SER 94 Ca 0.00 -0.61 -0.51 0.00 -0.84 0.00 0.00 61.79 59.82 1xlf h SER 94 Cb 0.00 -0.13 0.04 0.00 0.14 0.00 0.00 62.40 62.45 1xlf h SER 94 CO 0.00 1.52 0.54 -2.28 -1.14 0.00 0.00 176.83 175.47 1xlf s HIS 95 N -2.60 3.29 0.53 3.45 5.65 -1.26 -4.95 115.29 119.40 1xlf s HIS 95 Ca -0.11 1.57 0.27 0.00 0.25 0.00 0.00 55.06 57.03 1xlf s HIS 95 Cb 0.07 -3.45 1.40 0.00 -1.18 0.00 0.00 32.58 29.42 1xlf s HIS 95 CO 0.84 -1.18 1.96 -1.35 -0.65 0.00 0.00 174.74 174.36 1xlf h PRO 96 N 3.46 0.02 -1.01 2.88 0.11 -2.02 -1.17 132.00 134.27 1xlf h PRO 96 Ca -0.48 -0.00 0.23 0.00 0.11 0.00 0.00 66.00 65.86 1xlf h PRO 96 Cb 1.22 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 1xlf h PRO 96 CO 0.66 0.01 0.61 -0.24 -0.21 0.00 0.00 178.00 178.83 1xlf h VAL 97 N 0.02 0.59 -0.09 3.15 3.04 -1.97 -1.24 116.25 119.75 1xlf h VAL 97 Ca 0.31 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 1xlf h VAL 97 Cb 1.21 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 1xlf h VAL 97 CO -0.01 0.11 0.00 0.49 -1.01 0.00 0.00 177.57 177.15 1xlf n PHE 98 N -4.79 0.25 0.32 3.17 3.72 -0.44 -4.54 117.46 115.15 1xlf n PHE 98 Ca 0.25 -0.09 0.20 0.00 -0.05 0.00 0.00 57.45 57.76 1xlf n PHE 98 Cb 0.71 -0.10 1.09 0.00 -0.94 0.00 0.00 39.48 40.24 1xlf n PHE 98 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1xlf h LYS 99 N 0.60 0.00 -0.08 -1.08 2.10 -1.38 0.01 116.57 116.74 1xlf h LYS 99 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xlf h LYS 99 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1xlf h LYS 99 CO 0.05 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.03 1xlf n ASP 100 N -3.33 2.72 0.00 7.07 2.03 -1.26 -5.04 116.55 118.74 1xlf n ASP 100 Ca -0.03 -2.88 0.00 0.00 0.52 0.00 0.00 54.79 52.40 1xlf n ASP 100 Cb 0.11 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 1xlf n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xlf n GLY 101 N -0.99 1.34 0.00 0.27 0.00 -0.01 -3.40 105.19 102.39 1xlf n GLY 101 Ca 0.15 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1xlf n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xlf n GLY 102 N 0.16 -0.02 0.29 -0.02 0.00 -1.26 -4.31 105.19 100.03 1xlf n GLY 102 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1xlf n GLY 102 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xlf h PHE 103 N 0.00 0.35 -0.31 1.61 0.04 -1.89 -3.04 116.94 113.70 1xlf h PHE 103 Ca 0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 1xlf h PHE 103 Cb 0.00 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 37.98 1xlf h PHE 103 CO 0.00 0.25 -0.01 0.25 -0.60 0.00 0.00 178.31 178.20 1xlf n THR 104 N -4.47 2.41 -1.87 -1.55 -2.24 -1.26 -4.46 114.28 100.84 1xlf n THR 104 Ca 0.01 -2.22 -0.37 0.00 -2.27 0.00 0.00 64.05 59.20 1xlf n THR 104 Cb 0.09 -0.29 0.05 0.00 -2.10 0.00 0.00 70.33 68.08 1xlf n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xlf s SER 105 N -2.17 5.03 0.19 3.42 0.15 -1.15 -4.82 113.70 114.36 1xlf s SER 105 Ca 0.43 2.56 -0.05 0.00 0.70 0.00 0.00 55.95 59.59 1xlf s SER 105 Cb 0.37 -2.62 0.12 0.00 -1.71 0.00 0.00 66.02 62.18 1xlf s SER 105 CO 0.05 -1.71 1.56 0.78 1.20 0.00 0.00 173.24 175.12 1xlf h ASN 106 N 0.95 0.78 -3.09 5.45 2.35 -1.93 -3.42 115.58 116.68 1xlf h ASN 106 Ca -0.51 -0.34 -0.56 0.00 -0.55 0.00 0.00 56.30 54.34 1xlf h ASN 106 Cb 1.31 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 39.42 1xlf h ASN 106 CO 0.55 1.06 0.74 -0.62 -1.65 0.00 0.00 177.43 177.52 1xlf s ASP 107 N -6.83 7.09 0.32 5.81 -1.08 -1.26 -4.94 116.67 115.78 1xlf s ASP 107 Ca -0.09 1.59 0.05 0.00 -0.52 0.00 0.00 52.55 53.58 1xlf s ASP 107 Cb 0.12 -2.55 0.55 0.00 -1.46 0.00 0.00 42.92 39.58 1xlf s ASP 107 CO 0.85 -0.61 1.80 -0.09 0.52 0.00 0.00 175.17 177.63 1xlf h ARG 108 N 7.54 0.39 -0.42 4.34 2.43 -1.99 -1.81 114.38 124.86 1xlf h ARG 108 Ca -0.27 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 58.70 1xlf h ARG 108 Cb 1.12 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1xlf h ARG 108 CO 0.92 0.58 -0.03 0.66 -1.51 0.00 0.00 179.97 180.59 1xlf h SER 109 N 0.36 0.76 -0.92 -3.80 4.64 -1.97 -1.84 113.55 110.78 1xlf h SER 109 Ca 0.06 -0.33 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1xlf h SER 109 Cb 0.55 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 1xlf h SER 109 CO 0.04 0.90 0.56 0.40 -0.87 0.00 0.00 176.83 177.87 1xlf h ILE 110 N 0.60 1.25 -0.97 0.95 2.04 -1.91 -1.67 117.51 117.80 1xlf h ILE 110 Ca 0.12 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1xlf h ILE 110 Cb 0.53 -0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 1xlf h ILE 110 CO 0.03 0.26 0.60 0.03 0.00 0.00 0.00 178.15 179.07 1xlf h ARG 111 N 1.27 1.30 -0.31 2.37 3.08 -0.55 -0.94 114.38 120.61 1xlf h ARG 111 Ca 0.33 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.23 1xlf h ARG 111 Cb -0.07 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.69 1xlf h ARG 111 CO -0.06 0.89 0.00 0.00 -1.07 0.00 0.00 179.97 179.73 1xlf h ARG 112 N 1.33 0.55 -0.29 0.04 3.08 -1.07 -2.27 114.38 115.75 1xlf h ARG 112 Ca 0.35 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1xlf h ARG 112 Cb -0.09 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1xlf h ARG 112 CO -0.07 0.68 0.19 0.35 -1.07 0.00 0.00 179.97 180.05 1xlf h PHE 113 N 0.34 0.37 -0.26 3.04 3.57 -0.86 -0.20 116.94 122.94 1xlf h PHE 113 Ca 0.09 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.65 1xlf h PHE 113 Cb 0.43 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 1xlf h PHE 113 CO 0.04 0.24 -0.07 0.00 -2.23 0.00 0.00 178.31 176.29 1xlf h ALA 114 N 1.09 0.17 -0.68 2.41 0.00 -1.09 0.17 119.26 121.33 1xlf h ALA 114 Ca 0.10 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1xlf h ALA 114 Cb -0.03 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1xlf h ALA 114 CO -0.02 -0.47 0.16 1.25 0.00 0.00 0.00 179.25 180.16 1xlf h LEU 115 N -0.00 1.03 -0.21 0.00 5.85 -1.22 -2.41 115.31 118.35 1xlf h LEU 115 Ca 0.12 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1xlf h LEU 115 Cb 0.19 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1xlf h LEU 115 CO -0.26 1.00 0.11 0.00 -0.34 0.00 0.00 178.44 178.95 1xlf h ALA 116 N 1.07 0.25 -0.88 1.25 0.00 -0.15 -0.98 119.26 119.82 1xlf h ALA 116 Ca 0.21 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.26 1xlf h ALA 116 Cb 0.38 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 1xlf h ALA 116 CO 0.00 -0.30 0.49 -0.22 0.00 0.00 0.00 179.25 179.22 1xlf h LYS 117 N 0.23 0.71 0.17 0.00 3.64 -0.50 -2.20 116.57 118.63 1xlf h LYS 117 Ca 0.08 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1xlf h LYS 117 Cb 0.01 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1xlf h LYS 117 CO -0.05 0.47 -0.08 0.28 -2.27 0.00 0.00 179.45 177.80 1xlf h VAL 118 N 0.73 0.94 -0.19 2.00 2.07 -1.09 -2.64 116.25 118.08 1xlf h VAL 118 Ca 0.46 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1xlf h VAL 118 Cb 0.59 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1xlf h VAL 118 CO -0.32 0.15 -0.11 -0.07 0.02 0.00 0.00 177.57 177.24 1xlf h LEU 119 N -0.57 -0.36 -0.08 2.57 3.38 -0.73 -1.46 115.31 118.06 1xlf h LEU 119 Ca -0.02 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1xlf h LEU 119 Cb 0.43 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1xlf h LEU 119 CO 0.04 -0.14 -0.13 0.45 0.09 0.00 0.00 178.44 178.75 1xlf h HIS 120 N -0.09 -0.32 -0.20 1.13 3.86 -1.50 -2.12 115.15 115.90 1xlf h HIS 120 Ca 0.11 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.39 1xlf h HIS 120 Cb 0.26 0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1xlf h HIS 120 CO -0.26 -0.19 0.17 -0.97 0.86 0.00 0.00 177.93 177.54 1xlf h ASN 121 N -0.17 0.00 -0.48 2.45 -1.24 -0.98 -1.13 115.58 114.03 1xlf h ASN 121 Ca 0.07 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.97 1xlf h ASN 121 Cb 0.28 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 1xlf h ASN 121 CO -0.19 0.00 -0.15 0.40 -1.29 0.00 0.00 177.43 176.21 1xlf h ILE 122 N 0.00 1.27 0.58 2.57 2.04 -0.61 0.23 117.51 123.59 1xlf h ILE 122 Ca 0.10 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 1xlf h ILE 122 Cb 0.43 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1xlf h ILE 122 CO -0.00 0.45 -0.38 0.44 0.00 0.00 0.00 178.15 178.66 1xlf h ASP 123 N 0.85 -0.96 -0.28 1.72 3.32 -1.01 -0.95 116.42 119.11 1xlf h ASP 123 Ca 0.13 0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.28 1xlf h ASP 123 Cb 0.70 0.29 -0.04 0.00 0.22 0.00 0.00 39.33 40.50 1xlf h ASP 123 CO 0.05 -0.58 0.00 0.25 -1.72 0.00 0.00 179.24 177.24 1xlf h LEU 124 N -0.92 -0.10 -0.63 1.55 5.85 -1.40 -0.54 115.31 119.12 1xlf h LEU 124 Ca -0.07 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.79 1xlf h LEU 124 Cb 0.75 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.83 1xlf h LEU 124 CO 0.06 -0.02 0.29 0.00 -0.34 0.00 0.00 178.44 178.42 1xlf h ALA 125 N 1.24 0.84 0.06 1.25 0.00 -0.76 -0.60 119.26 121.29 1xlf h ALA 125 Ca 0.13 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1xlf h ALA 125 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xlf h ALA 125 CO -0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 179.25 178.90 1xlf h ALA 126 N 1.39 -0.08 -0.60 0.00 0.00 -0.66 -2.52 119.26 116.79 1xlf h ALA 126 Ca 0.31 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1xlf h ALA 126 Cb 0.32 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1xlf h ALA 126 CO -0.26 -0.54 0.36 0.93 0.00 0.00 0.00 179.25 179.74 1xlf h GLU 127 N -0.09 0.81 0.00 0.00 5.08 0.21 -2.58 114.58 118.02 1xlf h GLU 127 Ca -0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1xlf h GLU 127 Cb 0.07 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1xlf h GLU 127 CO 0.01 0.58 0.00 -1.33 -1.00 0.00 0.00 179.01 177.27 1xlf n MET 128 N -4.41 0.13 -1.00 2.33 2.81 -0.36 -4.91 117.12 111.70 1xlf n MET 128 Ca 0.06 0.13 -0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1xlf n MET 128 Cb 0.08 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.09 1xlf n MET 128 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xlf n GLY 129 N 0.49 0.39 3.76 3.03 0.00 -0.97 -4.53 105.19 107.37 1xlf n GLY 129 Ca 0.07 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 1xlf n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xlf s ALA 130 N -2.00 3.05 -0.14 4.61 0.00 -0.97 -4.74 121.76 121.57 1xlf s ALA 130 Ca 0.00 1.14 0.19 0.00 0.00 0.00 0.00 51.96 53.29 1xlf s ALA 130 Cb 0.00 -3.46 -0.26 0.00 0.00 0.00 0.00 23.12 19.39 1xlf s ALA 130 CO 0.00 -0.88 0.27 0.39 0.00 0.00 0.00 175.76 175.55 1xlf n GLU 131 N -0.36 0.67 -5.21 0.00 -0.58 -0.49 -4.70 120.64 109.97 1xlf n GLU 131 Ca 0.07 -0.03 -0.32 0.00 -0.42 0.00 0.00 57.16 56.46 1xlf n GLU 131 Cb 0.46 -1.56 -0.16 0.00 -0.57 0.00 0.00 31.44 29.61 1xlf n GLU 131 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1xlf s THR 132 N -2.81 2.25 -0.30 2.62 2.01 -0.66 -2.63 115.64 116.12 1xlf s THR 132 Ca -0.09 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 60.90 1xlf s THR 132 Cb 0.08 -1.81 0.07 0.00 0.01 0.00 0.00 72.50 70.85 1xlf s THR 132 CO 0.85 0.58 -0.02 0.12 -0.69 0.00 0.00 174.62 175.46 1xlf s PHE 133 N -0.43 3.36 -0.00 4.92 5.36 0.32 -2.04 117.98 129.46 1xlf s PHE 133 Ca 0.05 -2.24 -0.14 0.00 -0.96 0.00 0.00 56.93 53.63 1xlf s PHE 133 Cb -0.12 -2.25 -0.06 0.00 -0.34 0.00 0.00 43.02 40.26 1xlf s PHE 133 CO 0.01 -0.87 0.40 0.08 -1.46 0.00 0.00 175.22 173.38 1xlf s VAL 134 N 1.14 5.05 -0.22 3.12 1.01 -1.07 0.85 120.40 130.28 1xlf s VAL 134 Ca -0.03 0.82 0.02 0.00 0.00 0.00 0.00 61.98 62.78 1xlf s VAL 134 Cb -0.20 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.53 1xlf s VAL 134 CO -0.04 0.58 -0.12 -0.04 0.00 0.00 0.00 175.10 175.48 1xlf s MET 135 N -1.07 2.29 -0.43 2.72 -1.94 0.28 -4.21 119.30 116.93 1xlf s MET 135 Ca 0.23 -1.04 -0.04 0.00 -1.71 0.00 0.00 55.69 53.14 1xlf s MET 135 Cb -0.16 -2.64 0.11 0.00 2.01 0.00 0.00 34.83 34.15 1xlf s MET 135 CO 0.13 -0.44 0.24 -0.46 -0.01 0.00 0.00 175.02 174.48 1xlf s TRP 136 N 1.26 3.55 -1.39 -0.03 -0.00 -1.26 -0.90 118.94 120.17 1xlf s TRP 136 Ca -0.03 -2.33 -0.11 0.00 -0.00 0.00 0.00 56.10 53.63 1xlf s TRP 136 Cb -0.17 -3.28 0.09 0.00 -0.00 0.00 0.00 33.47 30.10 1xlf s TRP 136 CO -0.08 -0.97 2.15 0.41 -0.00 0.00 0.00 176.95 178.46 1xlf n GLY 137 N 4.61 4.59 0.27 5.86 0.00 -1.26 -4.79 105.19 114.48 1xlf n GLY 137 Ca -0.03 -1.81 0.07 0.00 0.00 0.00 0.00 46.02 44.25 1xlf n GLY 137 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xlf h GLY 138 N 8.71 0.15 -1.75 -0.02 0.00 -1.92 -2.78 103.07 105.46 1xlf h GLY 138 Ca 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1xlf h GLY 138 CO 1.76 0.05 0.00 0.54 0.00 0.00 0.00 176.54 178.89 1xlf n ARG 139 N -4.52 1.98 -2.47 4.80 5.12 -1.26 -4.06 116.66 116.25 1xlf n ARG 139 Ca -0.01 -1.85 -0.42 0.00 -1.93 0.00 0.00 57.85 53.64 1xlf n ARG 139 Cb 0.09 -1.41 -0.02 0.00 -1.16 0.00 0.00 32.46 29.96 1xlf n ARG 139 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1xlf s GLU 140 N -1.57 3.47 0.00 5.56 0.41 -1.05 -2.69 118.70 122.83 1xlf s GLU 140 Ca 0.27 0.48 0.00 0.00 -0.41 0.00 0.00 54.97 55.31 1xlf s GLU 140 Cb 0.18 -4.04 0.00 0.00 -1.78 0.00 0.00 34.13 28.48 1xlf s GLU 140 CO 0.26 -1.72 0.00 0.41 -0.49 0.00 0.00 175.26 173.72 1xlf n GLY 141 N 5.11 -0.17 3.56 -1.39 0.00 -1.26 -1.73 105.19 109.32 1xlf n GLY 141 Ca 0.12 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 1xlf n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xlf s SER 142 N -4.00 -0.34 -0.10 1.61 1.04 -0.81 -4.97 113.70 106.13 1xlf s SER 142 Ca 0.00 -0.11 0.18 0.00 0.48 0.00 0.00 55.95 56.50 1xlf s SER 142 Cb 0.00 0.44 -0.24 0.00 0.10 0.00 0.00 66.02 66.32 1xlf s SER 142 CO 0.00 -0.74 0.37 -0.62 0.98 0.00 0.00 173.24 173.23 1xlf n GLU 143 N -0.32 0.66 -5.03 4.02 4.71 -1.26 -1.62 120.64 121.80 1xlf n GLU 143 Ca -0.09 0.05 -0.29 0.00 -0.01 0.00 0.00 57.16 56.82 1xlf n GLU 143 Cb 0.62 -1.62 -0.15 0.00 -1.01 0.00 0.00 31.44 29.28 1xlf n GLU 143 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1xlf s TYR 144 N -2.77 2.06 0.17 -0.32 2.02 -1.26 -4.90 117.35 112.35 1xlf s TYR 144 Ca -0.07 -0.39 0.33 0.00 -0.37 0.00 0.00 57.07 56.56 1xlf s TYR 144 Cb 0.08 -1.30 1.39 0.00 -0.40 0.00 0.00 41.96 41.73 1xlf s TYR 144 CO 0.84 0.01 2.00 -0.44 -1.57 0.00 0.00 175.55 176.38 1xlf h ASP 145 N 5.34 0.00 -0.49 2.29 3.32 -1.98 -3.02 116.42 121.88 1xlf h ASP 145 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1xlf h ASP 145 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1xlf h ASP 145 CO 0.46 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.63 1xlf n GLY 146 N -0.07 1.75 0.25 2.75 0.00 -1.26 -4.47 105.19 104.14 1xlf n GLY 146 Ca 0.00 -0.70 0.13 0.00 0.00 0.00 0.00 46.02 45.45 1xlf n GLY 146 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xlf h SER 147 N 3.98 0.00 -4.44 1.61 0.02 -1.97 -3.45 113.55 109.31 1xlf h SER 147 Ca 0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 1xlf h SER 147 Cb 0.89 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.21 1xlf h SER 147 CO 0.00 0.15 -0.78 -0.54 -1.14 0.00 0.00 176.83 174.51 1xlf s LYS 148 N -3.88 0.86 -0.45 3.45 -0.14 -1.26 -5.05 119.74 113.28 1xlf s LYS 148 Ca -0.01 -0.93 -0.17 0.00 -1.36 0.00 0.00 55.97 53.50 1xlf s LYS 148 Cb 0.11 -0.88 0.04 0.00 -1.68 0.00 0.00 37.83 35.42 1xlf s LYS 148 CO 0.59 0.20 0.46 0.34 -0.76 0.00 0.00 175.35 176.18 1xlf s ASP 149 N -1.64 6.19 0.36 2.83 -1.08 -1.26 -4.96 116.67 117.10 1xlf s ASP 149 Ca -0.01 -0.86 0.11 0.00 -0.52 0.00 0.00 52.55 51.27 1xlf s ASP 149 Cb -0.10 -2.22 0.67 0.00 -1.46 0.00 0.00 42.92 39.81 1xlf s ASP 149 CO 0.02 -0.65 1.80 0.25 0.52 0.00 0.00 175.17 177.12 1xlf h LEU 150 N 9.10 0.05 -0.02 -1.34 7.12 -1.98 0.48 115.31 128.73 1xlf h LEU 150 Ca -0.27 -0.02 -0.26 0.00 0.13 0.00 0.00 57.88 57.46 1xlf h LEU 150 Cb 1.11 -0.01 0.02 0.00 -0.53 0.00 0.00 40.66 41.24 1xlf h LEU 150 CO 0.84 0.42 -1.05 0.00 -0.13 0.00 0.00 178.44 178.52 1xlf h ALA 151 N 1.58 0.16 -0.24 1.25 0.00 -2.00 -3.08 119.26 116.92 1xlf h ALA 151 Ca 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 54.91 54.10 1xlf h ALA 151 Cb 0.68 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1xlf h ALA 151 CO 0.05 0.72 -0.28 0.00 0.00 0.00 0.00 179.25 179.74 1xlf h ALA 152 N 0.46 1.06 -0.39 0.00 0.00 -1.94 -1.74 119.26 116.71 1xlf h ALA 152 Ca -0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1xlf h ALA 152 Cb 1.71 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1xlf h ALA 152 CO 0.20 0.57 0.21 0.00 0.00 0.00 0.00 179.25 180.24 1xlf h ALA 153 N 1.28 0.51 -0.30 0.00 0.00 -0.87 -0.33 119.26 119.54 1xlf h ALA 153 Ca 0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1xlf h ALA 153 Cb 0.71 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xlf h ALA 153 CO 0.05 0.04 -0.24 -0.07 0.00 0.00 0.00 179.25 179.03 1xlf h LEU 154 N 0.51 0.60 -0.35 0.00 3.38 -1.43 -1.36 115.31 116.65 1xlf h LEU 154 Ca 0.14 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1xlf h LEU 154 Cb 0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1xlf h LEU 154 CO -0.02 0.83 0.04 0.44 0.09 0.00 0.00 178.44 179.82 1xlf h ASP 155 N 0.52 0.57 -0.55 -0.43 3.32 -0.96 0.08 116.42 118.97 1xlf h ASP 155 Ca 0.07 -0.27 0.04 0.00 0.02 0.00 0.00 57.03 56.89 1xlf h ASP 155 Cb 0.69 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 1xlf h ASP 155 CO 0.05 0.70 0.31 0.03 -1.72 0.00 0.00 179.24 178.61 1xlf h ARG 156 N 0.42 0.59 0.37 3.56 2.47 -0.89 0.22 114.38 121.12 1xlf h ARG 156 Ca 0.11 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 1xlf h ARG 156 Cb 0.38 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1xlf h ARG 156 CO 0.01 0.39 -0.18 1.98 0.56 0.00 0.00 179.97 182.73 1xlf h MET 157 N 0.60 -0.48 -0.70 0.04 4.05 -1.10 -2.15 114.93 115.19 1xlf h MET 157 Ca 0.23 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.79 1xlf h MET 157 Cb 0.09 0.11 -0.07 0.00 -0.80 0.00 0.00 31.60 30.92 1xlf h MET 157 CO -0.13 -0.32 0.33 -0.09 0.23 0.00 0.00 176.91 176.93 1xlf h ARG 158 N -0.51 0.54 -0.03 0.39 2.43 -0.43 -0.78 114.38 115.98 1xlf h ARG 158 Ca -0.05 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1xlf h ARG 158 Cb 0.39 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 1xlf h ARG 158 CO 0.08 0.35 -0.16 1.49 -1.51 0.00 0.00 179.97 180.22 1xlf h GLU 159 N 0.55 -0.25 0.29 0.20 4.81 -0.20 0.40 114.58 120.39 1xlf h GLU 159 Ca 0.35 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1xlf h GLU 159 Cb 0.40 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1xlf h GLU 159 CO -0.29 -0.17 -0.14 0.78 -0.73 0.00 0.00 179.01 178.46 1xlf h GLY 160 N -0.26 -0.41 1.01 1.92 0.00 -0.96 -1.73 103.07 102.66 1xlf h GLY 160 Ca 0.06 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1xlf h GLY 160 CO -0.18 -0.15 0.45 -2.08 0.00 0.00 0.00 176.54 174.59 1xlf h VAL 161 N -0.52 1.23 -0.00 4.60 2.07 -0.98 -2.09 116.25 120.55 1xlf h VAL 161 Ca -0.04 -0.56 -0.15 0.00 0.82 0.00 0.00 66.70 66.77 1xlf h VAL 161 Cb 0.39 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1xlf h VAL 161 CO 0.07 0.26 -0.70 0.44 0.02 0.00 0.00 177.57 177.65 1xlf h ASP 162 N 1.11 0.03 -0.49 0.57 3.32 -0.91 -2.73 116.42 117.32 1xlf h ASP 162 Ca 0.28 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 1xlf h ASP 162 Cb 0.01 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1xlf h ASP 162 CO -0.05 0.72 0.13 0.74 -1.72 0.00 0.00 179.24 179.06 1xlf h THR 163 N 0.02 1.24 -0.73 0.35 2.02 -1.09 0.74 112.91 115.45 1xlf h THR 163 Ca -0.01 -0.82 -0.06 0.00 0.77 0.00 0.00 66.41 66.29 1xlf h THR 163 Cb 1.24 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 1xlf h THR 163 CO 0.09 0.30 0.24 0.00 0.37 0.00 0.00 175.52 176.52 1xlf h ALA 164 N 0.99 1.04 -0.25 6.16 0.00 -1.34 -0.16 119.26 125.70 1xlf h ALA 164 Ca 0.16 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1xlf h ALA 164 Cb 0.32 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xlf h ALA 164 CO 0.00 0.65 -0.35 0.00 0.00 0.00 0.00 179.25 179.56 1xlf h ALA 165 N 1.17 0.37 -0.01 0.00 0.00 -1.31 -2.31 119.26 117.17 1xlf h ALA 165 Ca 0.24 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1xlf h ALA 165 Cb 0.29 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xlf h ALA 165 CO -0.01 0.43 0.00 0.78 0.00 0.00 0.00 179.25 180.46 1xlf h GLY 166 N 0.39 0.02 0.59 0.00 0.00 -0.78 -2.33 103.07 100.95 1xlf h GLY 166 Ca 0.03 -0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.39 1xlf h GLY 166 CO 0.08 0.01 -0.01 -1.82 0.00 0.00 0.00 176.54 174.80 1xlf h TYR 167 N -0.17 -0.03 -0.39 5.60 3.20 -1.02 0.86 116.97 125.02 1xlf h TYR 167 Ca 0.00 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.98 1xlf h TYR 167 Cb 0.19 0.05 -0.09 0.00 1.54 0.00 0.00 36.73 38.42 1xlf h TYR 167 CO -0.01 -0.05 -0.23 0.82 -1.64 0.00 0.00 178.16 177.05 1xlf h ILE 168 N 0.07 0.37 0.34 1.81 2.04 -1.27 -0.64 117.51 120.22 1xlf h ILE 168 Ca 0.12 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 1xlf h ILE 168 Cb 0.16 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1xlf h ILE 168 CO -0.21 0.00 -0.16 0.11 0.00 0.00 0.00 178.15 177.88 1xlf h LYS 169 N -0.17 -0.44 -0.96 2.37 1.57 -0.91 -1.67 116.57 116.38 1xlf h LYS 169 Ca 0.19 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.10 1xlf h LYS 169 Cb 0.46 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.79 1xlf h LYS 169 CO -0.49 -0.29 0.59 -0.44 -0.57 0.00 0.00 179.45 178.26 1xlf h ASP 170 N -0.46 0.89 0.77 0.86 3.32 -0.18 -2.19 116.42 119.43 1xlf h ASP 170 Ca -0.05 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1xlf h ASP 170 Cb 0.35 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1xlf h ASP 170 CO 0.08 0.50 -0.09 0.29 -1.72 0.00 0.00 179.24 178.30 1xlf n LYS 171 N -4.62 0.15 -1.49 3.56 4.76 -0.31 -4.97 118.16 115.24 1xlf n LYS 171 Ca 0.17 -0.03 -0.12 0.00 -2.87 0.00 0.00 58.31 55.46 1xlf n LYS 171 Cb 0.29 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.94 1xlf n LYS 171 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xlf n GLY 172 N 1.44 1.03 3.77 0.72 0.00 -0.65 -5.03 105.19 106.48 1xlf n GLY 172 Ca 0.09 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 1xlf n GLY 172 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xlf s TYR 173 N -2.46 3.36 -1.24 1.61 2.02 -1.07 -4.97 117.35 114.61 1xlf s TYR 173 Ca 0.00 1.65 -0.10 0.00 -0.37 0.00 0.00 57.07 58.25 1xlf s TYR 173 Cb 0.00 -3.24 0.18 0.00 -0.40 0.00 0.00 41.96 38.50 1xlf s TYR 173 CO 0.00 -0.72 1.68 0.09 -1.57 0.00 0.00 175.55 175.03 1xlf n ASN 174 N 0.48 5.25 -3.83 2.29 5.03 -1.26 -4.79 115.26 118.44 1xlf n ASN 174 Ca 0.02 -3.09 -0.13 0.00 0.87 0.00 0.00 54.58 52.26 1xlf n ASN 174 Cb 0.47 -1.49 -0.14 0.00 -1.02 0.00 0.00 39.78 37.60 1xlf n ASN 174 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xlf s LEU 175 N 0.17 1.54 -0.03 3.41 1.43 -1.26 -4.39 118.68 119.55 1xlf s LEU 175 Ca 0.40 0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.71 1xlf s LEU 175 Cb 0.04 0.20 -0.02 0.00 0.03 0.00 0.00 46.19 46.45 1xlf s LEU 175 CO 0.01 -0.05 -0.25 -0.13 0.23 0.00 0.00 176.35 176.15 1xlf s ARG 176 N 0.30 2.19 -0.11 1.70 0.52 -1.08 -4.97 118.95 117.50 1xlf s ARG 176 Ca -0.02 -0.92 -0.17 0.00 -0.52 0.00 0.00 55.73 54.10 1xlf s ARG 176 Cb -0.03 -2.07 -0.05 0.00 0.52 0.00 0.00 34.95 33.32 1xlf s ARG 176 CO -0.01 0.54 0.42 0.42 0.02 0.00 0.00 175.30 176.69 1xlf s ILE 177 N -0.55 5.20 -0.19 1.52 1.01 -0.43 -0.52 121.20 127.24 1xlf s ILE 177 Ca 0.08 0.83 0.01 0.00 0.00 0.00 0.00 60.65 61.58 1xlf s ILE 177 Cb -0.11 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.64 1xlf s ILE 177 CO -0.00 0.38 -0.17 0.00 0.00 0.00 0.00 174.94 175.14 1xlf s ALA 178 N 0.34 2.24 0.09 9.38 0.00 0.25 -0.18 121.76 133.88 1xlf s ALA 178 Ca 0.23 -1.22 -0.24 0.00 0.00 0.00 0.00 51.96 50.73 1xlf s ALA 178 Cb -0.15 -1.21 -0.07 0.00 0.00 0.00 0.00 23.12 21.69 1xlf s ALA 178 CO 0.09 -0.50 0.73 -0.51 0.00 0.00 0.00 175.76 175.57 1xlf s LEU 179 N 1.31 4.51 -0.24 0.00 1.43 -0.14 -0.56 118.68 125.00 1xlf s LEU 179 Ca 0.03 1.48 0.02 0.00 -1.03 0.00 0.00 54.13 54.62 1xlf s LEU 179 Cb -0.14 -3.19 0.05 0.00 0.03 0.00 0.00 46.19 42.94 1xlf s LEU 179 CO -0.11 0.13 -0.11 -0.70 0.23 0.00 0.00 176.35 175.79 1xlf s GLU 180 N -0.62 2.17 0.50 1.70 2.12 -0.08 -0.31 118.70 124.18 1xlf s GLU 180 Ca 0.36 -1.13 -0.20 0.00 0.36 0.00 0.00 54.97 54.36 1xlf s GLU 180 Cb -0.21 -2.71 -0.08 0.00 0.26 0.00 0.00 34.13 31.39 1xlf s GLU 180 CO 0.23 -0.51 1.05 -2.14 -0.54 0.00 0.00 175.26 173.36 1xlf s PRO 181 N 1.23 3.71 -0.28 4.30 0.02 -1.26 -4.35 135.00 138.36 1xlf s PRO 181 Ca -0.05 1.39 -0.15 0.00 0.02 0.00 0.00 61.00 62.20 1xlf s PRO 181 Cb -0.18 -2.08 0.10 0.00 0.02 0.00 0.00 34.50 32.36 1xlf s PRO 181 CO -0.07 -0.52 0.74 0.21 -0.33 0.00 0.00 177.00 177.04 1xlf s LYS 182 N -3.29 0.63 0.13 5.54 2.20 -1.23 -4.71 119.74 119.01 1xlf s LYS 182 Ca 0.68 1.13 -0.04 0.00 -0.36 0.00 0.00 55.97 57.38 1xlf s LYS 182 Cb -0.17 0.20 -0.09 0.00 -1.51 0.00 0.00 37.83 36.25 1xlf s LYS 182 CO 0.22 -0.14 1.31 -1.00 -0.36 0.00 0.00 175.35 175.37 1xlf h PRO 183 N 6.93 0.40 -3.00 4.03 0.13 -1.71 -3.37 132.00 135.41 1xlf h PRO 183 Ca -0.28 -0.43 0.05 0.00 -0.87 0.00 0.00 66.00 64.46 1xlf h PRO 183 Cb 1.21 0.12 -0.07 0.00 0.13 0.00 0.00 31.00 32.39 1xlf h PRO 183 CO 0.16 1.10 0.22 0.54 -0.23 0.00 0.00 178.00 179.79 1xlf s ASN 184 N -7.08 -0.34 0.04 1.44 4.22 -1.26 -1.28 114.94 110.69 1xlf s ASN 184 Ca -0.06 -0.46 0.00 0.00 -2.14 0.00 0.00 52.86 50.20 1xlf s ASN 184 Cb 0.09 0.70 0.00 0.00 1.28 0.00 0.00 41.25 43.32 1xlf s ASN 184 CO 0.87 -1.25 0.00 1.21 -2.04 0.00 0.00 177.10 175.88 1xlf n GLU 185 N -0.44 -2.34 0.25 3.55 2.13 -1.26 -4.84 120.64 117.69 1xlf n GLU 185 Ca -0.07 1.96 0.14 0.00 0.66 0.00 0.00 57.16 59.85 1xlf n GLU 185 Cb 0.61 -2.15 0.53 0.00 0.27 0.00 0.00 31.44 30.70 1xlf n GLU 185 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1xlf h PRO 186 N 1.87 0.00 -6.96 5.31 0.13 -2.00 -3.49 132.00 126.85 1xlf h PRO 186 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 1xlf h PRO 186 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1xlf h PRO 186 CO 0.00 0.08 0.23 1.03 -0.23 0.00 0.00 178.00 179.10 1xlf s ARG 187 N -3.59 3.93 0.26 0.86 1.81 -1.26 -4.97 118.95 116.00 1xlf s ARG 187 Ca 0.02 0.75 -0.04 0.00 -1.72 0.00 0.00 55.73 54.73 1xlf s ARG 187 Cb 0.09 -2.29 0.33 0.00 -0.45 0.00 0.00 34.95 32.63 1xlf s ARG 187 CO 0.59 -0.08 1.92 0.78 -0.68 0.00 0.00 175.30 177.84 1xlf h GLY 188 N 1.41 1.42 -6.58 -3.53 0.00 -1.90 -3.42 103.07 90.48 1xlf h GLY 188 Ca -0.47 -0.50 -0.33 0.00 0.00 0.00 0.00 47.33 46.02 1xlf h GLY 188 CO 0.63 0.45 -0.74 0.99 0.00 0.00 0.00 176.54 177.87 1xlf s ASP 189 N -6.08 0.41 -0.05 0.19 1.01 -0.64 -4.68 116.67 106.83 1xlf s ASP 189 Ca -0.13 0.01 -0.00 0.00 0.71 0.00 0.00 52.55 53.14 1xlf s ASP 189 Cb 0.19 -0.16 -0.03 0.00 1.01 0.00 0.00 42.92 43.92 1xlf s ASP 189 CO 0.81 -0.13 0.00 -0.63 0.21 0.00 0.00 175.17 175.43 1xlf s ILE 190 N 1.21 4.24 0.42 0.77 1.01 -0.40 -1.93 121.20 126.52 1xlf s ILE 190 Ca -0.07 -0.41 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 1xlf s ILE 190 Cb -0.13 -2.83 -0.08 0.00 0.01 0.00 0.00 42.46 39.42 1xlf s ILE 190 CO -0.03 0.50 1.12 -0.36 0.00 0.00 0.00 174.94 176.17 1xlf s PHE 191 N -0.98 3.07 -0.95 3.97 0.08 -0.70 -3.61 117.98 118.86 1xlf s PHE 191 Ca 0.16 1.58 -0.05 0.00 0.12 0.00 0.00 56.93 58.75 1xlf s PHE 191 Cb -0.11 -3.28 -0.04 0.00 -0.57 0.00 0.00 43.02 39.02 1xlf s PHE 191 CO 0.06 -1.10 0.84 1.28 -0.10 0.00 0.00 175.22 176.20 1xlf n LEU 192 N -0.21 -5.84 0.25 -0.37 4.77 -1.26 -4.82 117.00 109.52 1xlf n LEU 192 Ca 0.06 -0.52 0.15 0.00 -0.03 0.00 0.00 56.01 55.66 1xlf n LEU 192 Cb 0.48 -3.19 0.45 0.00 -2.33 0.00 0.00 43.42 38.84 1xlf n LEU 192 CO 0.47 -0.28 0.90 1.55 -1.33 0.00 0.00 177.39 178.71 1xlf h PRO 193 N -0.61 0.00 -4.83 3.23 0.13 -1.72 -3.32 132.00 124.87 1xlf h PRO 193 Ca -0.42 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.36 1xlf h PRO 193 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1xlf h PRO 193 CO 0.40 0.02 -0.59 0.95 -0.23 0.00 0.00 178.00 178.54 1xlf s THR 194 N -3.46 0.36 0.21 1.56 -4.23 -1.26 -2.20 115.64 106.60 1xlf s THR 194 Ca 0.04 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.45 1xlf s THR 194 Cb 0.07 -2.56 0.14 0.00 1.34 0.00 0.00 72.50 71.49 1xlf s THR 194 CO 0.60 0.00 1.76 0.58 -0.54 0.00 0.00 174.62 177.02 1xlf h VAL 195 N 2.35 0.82 -0.02 2.29 2.07 -1.94 -2.39 116.25 119.44 1xlf h VAL 195 Ca -0.36 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.04 1xlf h VAL 195 Cb 1.25 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1xlf h VAL 195 CO 0.55 0.08 -0.28 1.23 0.02 0.00 0.00 177.57 179.17 1xlf h GLY 196 N 0.46 -0.44 1.11 2.17 0.00 -1.96 0.68 103.07 105.08 1xlf h GLY 196 Ca 0.30 0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.96 1xlf h GLY 196 CO -0.27 -0.22 0.49 0.45 0.00 0.00 0.00 176.54 176.98 1xlf h HIS 197 N -0.42 1.15 0.47 5.60 -0.00 -1.89 -1.37 115.15 118.69 1xlf h HIS 197 Ca 0.07 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.41 1xlf h HIS 197 Cb 0.52 -0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 27.55 1xlf h HIS 197 CO -0.32 0.78 -0.31 0.78 -0.00 0.00 0.00 177.93 178.86 1xlf h GLY 198 N 1.20 -0.81 0.88 2.45 0.00 -1.02 -0.49 103.07 105.28 1xlf h GLY 198 Ca 0.30 0.35 0.04 0.00 0.00 0.00 0.00 47.33 48.02 1xlf h GLY 198 CO -0.05 -0.30 0.65 1.41 0.00 0.00 0.00 176.54 178.25 1xlf h LEU 199 N -0.75 1.09 -0.36 3.11 3.38 -0.50 -2.46 115.31 118.81 1xlf h LEU 199 Ca -0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xlf h LEU 199 Cb 0.63 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1xlf h LEU 199 CO 0.04 0.74 0.21 0.00 0.09 0.00 0.00 178.44 179.52 1xlf h ALA 200 N 1.42 0.46 -0.51 1.53 0.00 -1.13 -3.16 119.26 117.86 1xlf h ALA 200 Ca 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1xlf h ALA 200 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1xlf h ALA 200 CO -0.13 -0.04 0.32 0.35 0.00 0.00 0.00 179.25 179.76 1xlf h PHE 201 N 0.46 0.67 -0.74 0.00 3.57 -0.69 -2.74 116.94 117.47 1xlf h PHE 201 Ca 0.13 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.80 1xlf h PHE 201 Cb 0.02 -0.22 -0.12 0.00 2.79 0.00 0.00 35.95 38.42 1xlf h PHE 201 CO -0.04 0.45 0.11 0.82 -2.23 0.00 0.00 178.31 177.42 1xlf h ILE 202 N 0.69 0.44 0.00 1.41 2.04 -1.42 -1.42 117.51 119.25 1xlf h ILE 202 Ca 0.19 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1xlf h ILE 202 Cb -0.04 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1xlf h ILE 202 CO -0.04 0.04 0.00 -0.62 0.00 0.00 0.00 178.15 177.53 1xlf n GLU 203 N -5.23 0.04 0.00 2.37 -0.58 -1.03 -2.01 120.64 114.20 1xlf n GLU 203 Ca 0.14 0.29 0.08 0.00 -0.42 0.00 0.00 57.16 57.25 1xlf n GLU 203 Cb 0.47 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.85 1xlf n GLU 203 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1xlf n GLN 204 N -1.34 1.62 -2.73 3.49 1.13 -0.54 -4.99 117.38 114.02 1xlf n GLN 204 Ca 0.02 -0.92 -0.38 0.00 -1.94 0.00 0.00 57.00 53.78 1xlf n GLN 204 Cb 0.04 -1.29 -0.06 0.00 0.11 0.00 0.00 30.24 29.04 1xlf n GLN 204 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1xlf s LEU 205 N -1.96 4.41 0.04 1.08 1.43 -0.85 -4.99 118.68 117.84 1xlf s LEU 205 Ca 0.14 1.91 -0.25 0.00 -1.03 0.00 0.00 54.13 54.91 1xlf s LEU 205 Cb 0.13 -3.90 -0.18 0.00 0.03 0.00 0.00 46.19 42.27 1xlf s LEU 205 CO 0.38 -0.05 1.50 -0.08 0.23 0.00 0.00 176.35 178.33 1xlf h GLU 206 N 3.40 -0.04 -1.93 1.70 4.81 -1.94 -3.27 114.58 117.31 1xlf h GLU 206 Ca -0.46 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.04 1xlf h GLU 206 Cb 1.20 0.01 -0.31 0.00 0.63 0.00 0.00 28.75 30.27 1xlf h GLU 206 CO 0.66 0.20 0.56 0.72 -0.73 0.00 0.00 179.01 180.41 1xlf n HIS 207 N -5.00 3.11 0.32 0.92 8.25 -1.26 -4.81 115.22 116.75 1xlf n HIS 207 Ca -0.08 -2.62 0.15 0.00 -0.26 0.00 0.00 57.72 54.91 1xlf n HIS 207 Cb 0.15 -0.90 0.66 0.00 1.12 0.00 0.00 29.99 31.02 1xlf n HIS 207 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1xlf h GLY 208 N 3.04 0.00 1.94 -1.41 0.00 -1.80 -3.12 103.07 101.73 1xlf h GLY 208 Ca 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.80 1xlf h GLY 208 CO 1.24 0.00 -0.04 1.29 0.00 0.00 0.00 176.54 179.03 1xlf h ASP 209 N 0.00 0.07 -0.35 0.19 2.03 -1.91 -2.08 116.42 114.37 1xlf h ASP 209 Ca 0.00 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1xlf h ASP 209 Cb 0.31 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 1xlf h ASP 209 CO 0.00 0.13 0.00 2.30 -1.03 0.00 0.00 179.24 180.64 1xlf n ILE 210 N -4.44 1.97 -4.63 4.15 -5.35 -1.18 -4.95 119.36 104.93 1xlf n ILE 210 Ca -0.02 -1.55 -0.33 0.00 -0.27 0.00 0.00 62.75 60.58 1xlf n ILE 210 Cb 0.15 -0.03 -0.16 0.00 -1.74 0.00 0.00 39.64 37.86 1xlf n ILE 210 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1xlf s VAL 211 N -2.27 2.20 0.00 7.28 1.01 -0.78 -1.31 120.40 126.53 1xlf s VAL 211 Ca 0.40 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1xlf s VAL 211 Cb 0.29 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.78 1xlf s VAL 211 CO 0.13 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1xlf n GLY 212 N 4.07 4.57 3.67 4.51 0.00 0.75 -4.91 105.19 117.85 1xlf n GLY 212 Ca -0.20 -1.51 -0.23 0.00 0.00 0.00 0.00 46.02 44.09 1xlf n GLY 212 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xlf s LEU 213 N 0.00 3.28 -0.44 0.99 2.01 -0.28 -0.97 118.68 123.27 1xlf s LEU 213 Ca 0.00 -0.58 0.05 0.00 0.01 0.00 0.00 54.13 53.62 1xlf s LEU 213 Cb 0.00 -1.81 0.20 0.00 0.01 0.00 0.00 46.19 44.58 1xlf s LEU 213 CO 0.00 0.00 0.43 -3.20 1.01 0.00 0.00 176.35 174.59 1xlf n ASN 214 N -0.87 0.24 -4.78 2.29 5.15 0.58 -2.55 115.26 115.31 1xlf n ASN 214 Ca -0.07 -2.60 -0.36 0.00 -0.60 0.00 0.00 54.58 50.95 1xlf n ASN 214 Cb 0.59 -0.60 -0.02 0.00 -0.53 0.00 0.00 39.78 39.21 1xlf n ASN 214 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1xlf s PRO 215 N -0.59 3.79 -0.09 1.20 0.02 -1.26 -4.38 135.00 133.71 1xlf s PRO 215 Ca 0.33 1.59 0.04 0.00 0.02 0.00 0.00 61.00 62.98 1xlf s PRO 215 Cb 0.08 -2.29 0.00 0.00 0.02 0.00 0.00 34.50 32.31 1xlf s PRO 215 CO -0.16 -0.48 -0.22 -2.00 -0.33 0.00 0.00 177.00 173.81 1xlf s GLU 216 N -2.88 2.71 0.17 5.54 2.12 -1.26 -1.67 118.70 123.43 1xlf s GLU 216 Ca 0.65 -0.80 -0.24 0.00 0.36 0.00 0.00 54.97 54.94 1xlf s GLU 216 Cb -0.23 -2.10 0.06 0.00 0.26 0.00 0.00 34.13 32.12 1xlf s GLU 216 CO 0.28 0.18 1.57 1.15 -0.54 0.00 0.00 175.26 177.91 1xlf h THR 217 N 5.64 0.12 -0.52 -1.70 2.02 -1.75 -2.67 112.91 114.05 1xlf h THR 217 Ca -0.23 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 1xlf h THR 217 Cb 1.22 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1xlf h THR 217 CO 0.47 0.00 0.03 1.23 0.37 0.00 0.00 175.52 177.62 1xlf h GLY 218 N -0.22 0.92 0.94 2.16 0.00 -1.87 -2.89 103.07 102.11 1xlf h GLY 218 Ca 0.19 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1xlf h GLY 218 CO -0.67 0.56 0.10 0.45 0.00 0.00 0.00 176.54 176.98 1xlf h HIS 219 N 0.80 0.27 -0.27 5.60 3.86 -1.82 -1.34 115.15 122.24 1xlf h HIS 219 Ca 0.16 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.31 1xlf h HIS 219 Cb 0.43 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 1xlf h HIS 219 CO 0.02 0.25 -0.06 0.93 0.86 0.00 0.00 177.93 179.94 1xlf h GLU 220 N 0.20 0.42 0.00 2.45 4.39 -1.45 -2.51 114.58 118.08 1xlf h GLU 220 Ca 0.07 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1xlf h GLU 220 Cb 0.08 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1xlf h GLU 220 CO -0.01 0.50 -0.00 1.96 -1.16 0.00 0.00 179.01 180.29 1xlf h GLN 221 N 0.40 0.00 0.00 2.33 4.20 -1.25 -2.24 115.11 118.55 1xlf h GLN 221 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1xlf h GLN 221 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1xlf h GLN 221 CO 0.02 0.00 0.00 0.52 -0.67 0.00 0.00 178.83 178.70 1xlf h MET 222 N 0.00 0.00 -0.27 1.46 2.86 -0.78 -1.54 114.93 116.66 1xlf h MET 222 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xlf h MET 222 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1xlf h MET 222 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1xlf n ALA 223 N -2.02 2.37 -1.93 6.32 0.00 -1.15 -4.66 120.51 119.44 1xlf n ALA 223 Ca -0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 53.44 52.38 1xlf n ALA 223 Cb 0.23 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 1xlf n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xlf n GLY 224 N 0.97 0.41 3.94 0.00 0.00 -0.58 -5.02 105.19 104.92 1xlf n GLY 224 Ca 0.13 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1xlf n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xlf s LEU 225 N -3.57 3.35 -0.41 0.99 1.43 -0.86 -4.97 118.68 114.64 1xlf s LEU 225 Ca 0.00 0.42 -0.22 0.00 -1.03 0.00 0.00 54.13 53.31 1xlf s LEU 225 Cb 0.00 -3.26 0.02 0.00 0.03 0.00 0.00 46.19 42.97 1xlf s LEU 225 CO 0.00 -1.00 0.71 0.21 0.23 0.00 0.00 176.35 176.50 1xlf s ASN 226 N -4.31 6.42 0.21 2.29 3.84 -1.26 -4.38 114.94 117.74 1xlf s ASN 226 Ca 0.53 -0.01 -0.10 0.00 0.21 0.00 0.00 52.86 53.49 1xlf s ASN 226 Cb -0.10 -2.36 0.18 0.00 -0.55 0.00 0.00 41.25 38.42 1xlf s ASN 226 CO 0.41 -0.76 1.87 0.15 -2.79 0.00 0.00 177.10 175.99 1xlf h PHE 227 N 8.72 0.93 -0.46 0.43 3.57 -1.91 -1.02 116.94 127.20 1xlf h PHE 227 Ca -0.25 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.29 1xlf h PHE 227 Cb 1.10 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 1xlf h PHE 227 CO 0.77 0.56 0.27 1.15 -2.23 0.00 0.00 178.31 178.83 1xlf h THR 228 N 0.98 1.05 -0.58 4.41 2.02 -1.92 -0.58 112.91 118.29 1xlf h THR 228 Ca 0.29 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 1xlf h THR 228 Cb -0.06 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1xlf h THR 228 CO -0.08 0.10 0.28 0.45 0.37 0.00 0.00 175.52 176.64 1xlf h HIS 229 N 0.54 0.83 -0.16 3.16 3.86 -1.77 -2.71 115.15 118.90 1xlf h HIS 229 Ca 0.18 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1xlf h HIS 229 Cb 0.01 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 1xlf h HIS 229 CO -0.07 0.63 0.07 0.78 0.86 0.00 0.00 177.93 180.21 1xlf h GLY 230 N 0.78 0.25 2.00 2.45 0.00 -0.83 -2.44 103.07 105.28 1xlf h GLY 230 Ca 0.20 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 1xlf h GLY 230 CO -0.03 0.12 -0.28 0.16 0.00 0.00 0.00 176.54 176.52 1xlf h ILE 231 N 0.13 0.87 -0.24 2.60 3.07 -1.10 -2.19 117.51 120.65 1xlf h ILE 231 Ca 0.05 -1.09 -0.12 0.00 1.55 0.00 0.00 64.86 65.26 1xlf h ILE 231 Cb 0.13 1.65 -0.01 0.00 -0.27 0.00 0.00 36.82 38.32 1xlf h ILE 231 CO -0.01 0.27 -0.35 0.00 -1.05 0.00 0.00 178.15 177.01 1xlf h ALA 232 N 1.72 0.95 -0.26 0.16 0.00 -1.25 0.28 119.26 120.85 1xlf h ALA 232 Ca -0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 1xlf h ALA 232 Cb 0.63 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xlf h ALA 232 CO 0.04 0.62 -0.47 0.37 0.00 0.00 0.00 179.25 179.80 1xlf h GLN 233 N 0.43 0.78 -0.09 0.00 4.15 -1.10 -0.62 115.11 118.68 1xlf h GLN 233 Ca 0.05 -0.49 -0.00 0.00 0.77 0.00 0.00 58.65 58.97 1xlf h GLN 233 Cb 0.82 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.56 1xlf h GLN 233 CO 0.07 1.12 0.05 0.00 -1.93 0.00 0.00 178.83 178.14 1xlf h ALA 234 N 0.66 0.11 -0.39 3.38 0.00 -0.95 -1.75 119.26 120.32 1xlf h ALA 234 Ca 0.02 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1xlf h ALA 234 Cb 1.07 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1xlf h ALA 234 CO 0.11 -0.36 0.20 -0.07 0.00 0.00 0.00 179.25 179.13 1xlf h LEU 235 N 0.06 0.31 -1.35 0.00 3.38 -0.39 0.11 115.31 117.42 1xlf h LEU 235 Ca 0.03 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1xlf h LEU 235 Cb 0.06 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1xlf h LEU 235 CO -0.01 0.22 0.47 -0.25 0.09 0.00 0.00 178.44 178.97 1xlf h TRP 236 N 0.42 0.81 -0.01 1.13 7.01 -0.87 0.15 115.95 124.58 1xlf h TRP 236 Ca 0.16 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.18 1xlf h TRP 236 Cb 0.06 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 26.85 1xlf h TRP 236 CO -0.09 0.46 -0.05 0.00 -2.79 0.00 0.00 178.44 175.97 1xlf n ALA 237 N -2.44 2.69 -3.30 2.65 0.00 -0.68 -4.92 120.51 114.52 1xlf n ALA 237 Ca 0.09 -0.31 -0.16 0.00 0.00 0.00 0.00 53.44 53.07 1xlf n ALA 237 Cb 0.15 -1.33 0.08 0.00 0.00 0.00 0.00 19.45 18.35 1xlf n ALA 237 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xlf n GLU 238 N -0.61 -4.45 -0.29 0.00 1.02 0.52 -4.92 120.64 111.91 1xlf n GLU 238 Ca 0.19 0.84 0.02 0.00 -0.02 0.00 0.00 57.16 58.18 1xlf n GLU 238 Cb 0.25 -5.75 0.02 0.00 -0.02 0.00 0.00 31.44 25.95 1xlf n GLU 238 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xlf n LYS 239 N -3.64 0.41 -2.92 3.49 4.76 0.33 -4.95 118.16 115.64 1xlf n LYS 239 Ca -0.18 -1.21 -0.44 0.00 -2.87 0.00 0.00 58.31 53.61 1xlf n LYS 239 Cb 0.64 -0.71 -0.02 0.00 -1.84 0.00 0.00 35.03 33.11 1xlf n LYS 239 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xlf s LEU 240 N -0.57 5.01 0.10 -0.35 2.96 -1.22 -1.13 118.68 123.47 1xlf s LEU 240 Ca 0.06 -2.36 0.09 0.00 -0.22 0.00 0.00 54.13 51.70 1xlf s LEU 240 Cb 0.05 -2.40 -0.19 0.00 0.50 0.00 0.00 46.19 44.14 1xlf s LEU 240 CO 0.01 -0.97 1.15 -0.26 -1.32 0.00 0.00 176.35 174.96 1xlf h PHE 241 N 8.27 0.00 -3.08 5.38 -1.00 -1.86 -3.47 116.94 121.18 1xlf h PHE 241 Ca 0.22 0.00 0.03 0.00 2.81 0.00 0.00 57.97 61.02 1xlf h PHE 241 Cb 0.97 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.46 1xlf h PHE 241 CO 1.15 0.96 0.18 -1.58 -1.61 0.00 0.00 178.31 177.41 1xlf s HIS 242 N -2.71 -0.23 -0.04 -0.55 2.46 -1.13 -4.80 115.29 108.30 1xlf s HIS 242 Ca -0.00 -0.14 -0.13 0.00 0.47 0.00 0.00 55.06 55.26 1xlf s HIS 242 Cb 0.09 0.60 0.02 0.00 -0.13 0.00 0.00 32.58 33.17 1xlf s HIS 242 CO 0.82 -1.09 0.28 -1.50 -2.47 0.00 0.00 174.74 170.78 1xlf s ILE 243 N -3.88 0.05 -0.18 0.89 2.07 -1.26 -3.98 121.20 114.90 1xlf s ILE 243 Ca 0.09 -0.39 0.01 0.00 -1.41 0.00 0.00 60.65 58.95 1xlf s ILE 243 Cb -0.04 -0.54 0.02 0.00 0.13 0.00 0.00 42.46 42.03 1xlf s ILE 243 CO 0.01 -0.21 -0.19 -1.81 -1.91 0.00 0.00 174.94 170.82 1xlf s ASP 244 N -0.97 3.20 -0.05 4.50 1.11 -0.67 -3.70 116.67 120.09 1xlf s ASP 244 Ca -0.10 -0.64 -0.00 0.00 0.18 0.00 0.00 52.55 51.98 1xlf s ASP 244 Cb -0.05 -1.49 -0.03 0.00 1.07 0.00 0.00 42.92 42.41 1xlf s ASP 244 CO 0.03 -0.00 -0.01 -0.76 1.18 0.00 0.00 175.17 175.61 1xlf s LEU 245 N 1.30 3.51 0.00 1.23 1.43 -0.18 -2.22 118.68 123.75 1xlf s LEU 245 Ca 0.05 0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.14 1xlf s LEU 245 Cb -0.13 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.22 1xlf s LEU 245 CO -0.12 0.34 0.36 -0.46 0.23 0.00 0.00 176.35 176.69 1xlf n ASN 246 N 1.83 -0.42 -4.24 2.29 0.23 -1.26 -2.33 115.26 111.37 1xlf n ASN 246 Ca -0.17 -1.15 -0.19 0.00 -0.53 0.00 0.00 54.58 52.54 1xlf n ASN 246 Cb 0.53 0.67 -0.12 0.00 -2.08 0.00 0.00 39.78 38.78 1xlf n ASN 246 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1xlf s GLY 247 N -2.79 1.07 -0.02 4.83 0.00 0.55 -4.40 107.32 106.55 1xlf s GLY 247 Ca 0.08 -1.23 -0.00 0.00 0.00 0.00 0.00 44.72 43.57 1xlf s GLY 247 CO 0.00 -1.27 0.04 1.62 0.00 0.00 0.00 173.10 173.49 1xlf s GLN 248 N -2.35 -0.05 -0.94 2.90 2.00 -1.26 -1.42 119.66 118.54 1xlf s GLN 248 Ca 0.06 0.24 -0.02 0.00 -2.00 0.00 0.00 55.36 53.64 1xlf s GLN 248 Cb -0.07 -0.31 0.26 0.00 0.80 0.00 0.00 33.01 33.69 1xlf s GLN 248 CO 0.03 -0.21 1.01 0.54 -0.50 0.00 0.00 175.29 176.17 1xlf n ARG 249 N 4.46 3.24 0.00 1.67 1.74 -1.26 -3.23 116.66 123.27 1xlf n ARG 249 Ca -0.22 -4.53 0.00 0.00 -0.77 0.00 0.00 57.85 52.33 1xlf n ARG 249 Cb 0.50 -2.43 0.00 0.00 -1.02 0.00 0.00 32.46 29.51 1xlf n ARG 249 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xlf n GLY 250 N 1.85 -3.45 3.55 -0.13 0.00 -1.26 -4.89 105.19 100.87 1xlf n GLY 250 Ca 0.25 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 1xlf n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xlf s ILE 251 N -0.71 3.83 0.00 -0.61 1.01 -1.26 -4.59 121.20 118.87 1xlf s ILE 251 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.14 1xlf s ILE 251 Cb 0.00 -4.86 0.00 0.00 0.01 0.00 0.00 42.46 37.61 1xlf s ILE 251 CO 0.00 -1.71 0.00 2.29 0.00 0.00 0.00 174.94 175.52 1xlf n LYS 252 N 9.05 0.00 -1.03 2.79 2.85 -1.26 -5.09 118.16 125.47 1xlf n LYS 252 Ca 0.04 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.96 1xlf n LYS 252 Cb 0.49 0.00 0.11 0.00 -0.65 0.00 0.00 35.03 34.98 1xlf n LYS 252 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 1xlf n TYR 253 N 0.00 -0.14 -2.09 5.58 4.11 -1.26 -4.88 117.16 118.48 1xlf n TYR 253 Ca 0.00 0.34 -0.43 0.00 -0.00 0.00 0.00 57.90 57.81 1xlf n TYR 253 Cb 0.00 -1.95 -0.03 0.00 -0.00 0.00 0.00 39.34 37.36 1xlf n TYR 253 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1xlf s ASP 254 N -1.94 5.95 0.04 9.48 2.15 -1.26 -4.88 116.67 126.20 1xlf s ASP 254 Ca 0.66 1.09 -0.16 0.00 0.43 0.00 0.00 52.55 54.57 1xlf s ASP 254 Cb -0.28 -2.53 -0.32 0.00 -0.30 0.00 0.00 42.92 39.49 1xlf s ASP 254 CO 0.58 -1.70 1.05 1.56 -0.17 0.00 0.00 175.17 176.49 1xlf h GLN 255 N 12.49 0.57 -6.07 4.34 4.20 -1.90 -3.48 115.11 125.26 1xlf h GLN 255 Ca -0.31 -0.84 -0.42 0.00 0.06 0.00 0.00 58.65 57.14 1xlf h GLN 255 Cb 1.15 0.29 0.05 0.00 0.30 0.00 0.00 27.48 29.28 1xlf h GLN 255 CO 1.06 1.39 -0.79 -0.25 -0.67 0.00 0.00 178.83 179.57 1xlf n ASP 256 N -3.81 -2.53 -4.87 1.46 8.00 -1.22 -4.68 116.55 108.91 1xlf n ASP 256 Ca -0.15 -0.77 -0.29 0.00 0.71 0.00 0.00 54.79 54.29 1xlf n ASP 256 Cb 1.01 -4.22 0.09 0.00 -0.02 0.00 0.00 41.12 37.98 1xlf n ASP 256 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xlf s LEU 257 N -6.83 2.50 0.51 0.64 1.43 -0.51 -0.16 118.68 116.26 1xlf s LEU 257 Ca 0.20 0.94 -0.23 0.00 -1.03 0.00 0.00 54.13 54.02 1xlf s LEU 257 Cb -0.10 -3.48 -0.06 0.00 0.03 0.00 0.00 46.19 42.58 1xlf s LEU 257 CO 0.80 -1.91 1.32 -0.69 0.23 0.00 0.00 176.35 176.10 1xlf s VAL 258 N -3.44 2.34 0.19 -1.59 1.01 -1.26 -0.33 120.40 117.33 1xlf s VAL 258 Ca 0.61 0.27 -0.32 0.00 0.00 0.00 0.00 61.98 62.54 1xlf s VAL 258 Cb -0.12 -3.14 -0.12 0.00 0.00 0.00 0.00 36.38 33.00 1xlf s VAL 258 CO 0.51 0.00 1.69 0.33 0.00 0.00 0.00 175.10 177.64 1xlf n PHE 259 N -0.73 2.63 0.00 5.22 7.35 -1.26 -0.76 117.46 129.90 1xlf n PHE 259 Ca 0.09 0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 1xlf n PHE 259 Cb 0.45 -2.65 0.00 0.00 0.35 0.00 0.00 39.48 37.64 1xlf n PHE 259 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xlf n GLY 260 N 3.85 1.11 0.39 7.13 0.00 -1.26 -4.73 105.19 111.68 1xlf n GLY 260 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1xlf n GLY 260 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xlf n HIS 261 N -2.00 0.11 0.00 1.61 8.25 0.06 -4.53 115.22 118.71 1xlf n HIS 261 Ca 0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1xlf n HIS 261 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1xlf n HIS 261 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xlf n GLY 262 N 1.06 1.09 3.55 -1.41 0.00 -1.26 -4.85 105.19 103.37 1xlf n GLY 262 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1xlf n GLY 262 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xlf s ASP 263 N 0.09 6.44 -0.01 1.61 -1.08 -1.20 -4.91 116.67 117.61 1xlf s ASP 263 Ca 0.00 -0.03 -0.24 0.00 -0.52 0.00 0.00 52.55 51.76 1xlf s ASP 263 Cb 0.00 -2.47 -0.17 0.00 -1.46 0.00 0.00 42.92 38.81 1xlf s ASP 263 CO 0.00 -1.21 1.19 0.25 0.52 0.00 0.00 175.17 175.92 1xlf h LEU 264 N 11.02 -0.20 -0.74 -1.34 5.85 -1.95 -1.72 115.31 126.22 1xlf h LEU 264 Ca -0.25 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.15 1xlf h LEU 264 Cb 1.07 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1xlf h LEU 264 CO 1.09 0.22 0.35 0.74 -0.34 0.00 0.00 178.44 180.51 1xlf h THR 265 N -0.67 1.24 -0.38 1.05 2.02 -1.95 -0.97 112.91 113.25 1xlf h THR 265 Ca -0.02 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1xlf h THR 265 Cb 0.48 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1xlf h THR 265 CO 0.04 0.28 0.19 -1.28 0.37 0.00 0.00 175.52 175.12 1xlf h SER 266 N 1.04 0.49 -0.74 4.18 0.87 -1.97 -1.92 113.55 115.50 1xlf h SER 266 Ca 0.25 -0.12 0.08 0.00 -1.23 0.00 0.00 61.79 60.78 1xlf h SER 266 Cb 0.12 -0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 61.89 1xlf h SER 266 CO -0.03 0.47 0.40 0.00 -0.53 0.00 0.00 176.83 177.14 1xlf h ALA 267 N 1.04 1.02 0.02 6.23 0.00 -0.71 -1.80 119.26 125.06 1xlf h ALA 267 Ca 0.13 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1xlf h ALA 267 Cb 0.11 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1xlf h ALA 267 CO -0.02 0.04 -0.34 0.35 0.00 0.00 0.00 179.25 179.28 1xlf h PHE 268 N 0.70 -0.94 0.00 0.00 3.57 -0.76 -0.13 116.94 119.37 1xlf h PHE 268 Ca 0.35 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.83 1xlf h PHE 268 Cb 0.31 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1xlf h PHE 268 CO -0.08 -0.43 -0.25 0.74 -2.23 0.00 0.00 178.31 176.06 1xlf h PHE 269 N -0.51 0.00 -0.02 0.41 0.04 -1.14 -1.05 116.94 114.68 1xlf h PHE 269 Ca 0.05 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 1xlf h PHE 269 Cb 0.58 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.74 1xlf h PHE 269 CO -0.35 0.25 -0.14 1.15 -0.60 0.00 0.00 178.31 178.61 1xlf h THR 270 N 0.00 1.52 -0.37 -1.55 2.02 -0.92 -2.70 112.91 110.92 1xlf h THR 270 Ca -0.00 -1.75 0.05 0.00 0.77 0.00 0.00 66.41 65.48 1xlf h THR 270 Cb 0.68 2.62 -0.05 0.00 -1.74 0.00 0.00 68.15 69.66 1xlf h THR 270 CO 0.03 0.47 0.10 0.58 0.37 0.00 0.00 175.52 177.08 1xlf h VAL 271 N -0.52 0.85 -0.68 3.16 2.07 -0.88 0.25 116.25 120.51 1xlf h VAL 271 Ca -0.01 -0.08 0.11 0.00 0.82 0.00 0.00 66.70 67.54 1xlf h VAL 271 Cb 0.85 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 1xlf h VAL 271 CO 0.03 0.04 0.27 -0.78 0.02 0.00 0.00 177.57 177.15 1xlf h ASP 272 N 0.24 0.26 -0.26 0.57 3.58 -1.21 0.79 116.42 120.38 1xlf h ASP 272 Ca 0.17 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.67 1xlf h ASP 272 Cb 0.18 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1xlf h ASP 272 CO -0.20 0.14 0.01 0.25 -2.88 0.00 0.00 179.24 176.56 1xlf h LEU 273 N 0.44 0.44 -0.42 2.28 7.12 -1.08 0.87 115.31 124.96 1xlf h LEU 273 Ca 0.35 -0.29 -0.07 0.00 0.13 0.00 0.00 57.88 58.00 1xlf h LEU 273 Cb 0.47 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 40.47 1xlf h LEU 273 CO -0.34 0.63 0.00 -0.07 -0.13 0.00 0.00 178.44 178.53 1xlf h LEU 274 N 0.25 0.72 0.00 2.25 3.38 0.85 -2.35 115.31 120.41 1xlf h LEU 274 Ca 0.08 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1xlf h LEU 274 Cb 0.39 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1xlf h LEU 274 CO 0.01 0.85 -0.13 -0.33 0.09 0.00 0.00 178.44 178.93 1xlf h GLU 275 N 0.57 0.00 0.00 1.13 4.39 -0.93 -3.40 114.58 116.34 1xlf h GLU 275 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1xlf h GLU 275 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1xlf h GLU 275 CO 0.02 0.22 -0.25 0.09 -1.16 0.00 0.00 179.01 177.93 1xlf n ASN 276 N -4.71 0.73 -0.26 1.42 3.02 0.30 -5.06 115.26 110.70 1xlf n ASN 276 Ca -0.04 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 1xlf n ASN 276 Cb 0.16 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1xlf n ASN 276 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xlf n GLY 277 N 1.33 -1.46 3.77 7.41 0.00 -0.88 -4.80 105.19 110.56 1xlf n GLY 277 Ca 0.05 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 1xlf n GLY 277 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xlf s PHE 278 N 0.00 3.92 0.40 1.61 0.08 -1.26 -4.60 117.98 118.13 1xlf s PHE 278 Ca 0.00 1.71 0.19 0.00 0.12 0.00 0.00 56.93 58.95 1xlf s PHE 278 Cb 0.00 -2.83 1.11 0.00 -0.57 0.00 0.00 43.02 40.73 1xlf s PHE 278 CO 0.00 0.48 1.76 -1.35 -0.10 0.00 0.00 175.22 176.01 1xlf h PRO 279 N 4.36 0.37 -0.60 0.24 0.11 -1.97 0.40 132.00 134.92 1xlf h PRO 279 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xlf h PRO 279 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xlf h PRO 279 CO 0.67 0.25 0.00 0.09 -0.21 0.00 0.00 178.00 178.80 1xlf n ASN 280 N -4.65 3.75 0.00 -2.05 3.02 -1.26 -5.05 115.26 109.02 1xlf n ASN 280 Ca 0.26 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.82 1xlf n ASN 280 Cb 0.90 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1xlf n ASN 280 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xlf n GLY 281 N 1.56 1.51 0.00 7.41 0.00 0.14 -5.10 105.19 110.71 1xlf n GLY 281 Ca 0.22 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1xlf n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xlf n GLY 282 N 1.55 -0.03 3.69 -0.02 0.00 -1.26 -4.64 105.19 104.48 1xlf n GLY 282 Ca 0.00 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 1xlf n GLY 282 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xlf s PRO 283 N -1.59 1.29 0.06 1.61 0.02 -1.26 -4.82 135.00 130.30 1xlf s PRO 283 Ca 0.00 1.41 0.04 0.00 0.02 0.00 0.00 61.00 62.47 1xlf s PRO 283 Cb 0.00 -1.77 -0.03 0.00 0.02 0.00 0.00 34.50 32.73 1xlf s PRO 283 CO 0.00 -2.40 -0.11 0.15 -0.33 0.00 0.00 177.00 174.31 1xlf s LYS 284 N -4.72 0.70 -0.13 5.54 -0.14 -1.26 -4.61 119.74 115.12 1xlf s LYS 284 Ca 0.65 -0.84 -0.20 0.00 -1.36 0.00 0.00 55.97 54.22 1xlf s LYS 284 Cb -0.21 -0.61 -0.04 0.00 -1.68 0.00 0.00 37.83 35.29 1xlf s LYS 284 CO 0.58 0.13 0.55 -0.47 -0.76 0.00 0.00 175.35 175.38 1xlf s TYR 285 N -1.26 3.49 -0.17 3.18 5.04 -1.26 -4.97 117.35 121.40 1xlf s TYR 285 Ca -0.05 0.96 0.02 0.00 -2.44 0.00 0.00 57.07 55.56 1xlf s TYR 285 Cb -0.10 -2.66 0.04 0.00 0.35 0.00 0.00 41.96 39.60 1xlf s TYR 285 CO 0.01 0.07 0.93 0.25 -1.34 0.00 0.00 175.55 175.47 1xlf n THR 286 N 3.96 0.78 -0.47 4.34 -2.24 -1.26 -4.95 114.28 114.43 1xlf n THR 286 Ca -0.05 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 1xlf n THR 286 Cb 0.51 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1xlf n THR 286 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xlf n GLY 287 N -0.24 -1.18 3.75 3.38 0.00 -1.26 -5.02 105.19 104.62 1xlf n GLY 287 Ca 0.02 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.07 1xlf n GLY 287 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xlf s PRO 288 N -1.56 2.91 -0.80 1.61 0.04 -1.26 -4.94 135.00 130.99 1xlf s PRO 288 Ca 0.00 1.77 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 1xlf s PRO 288 Cb 0.00 -1.93 0.21 0.00 0.04 0.00 0.00 34.50 32.82 1xlf s PRO 288 CO 0.00 -1.24 0.73 1.03 0.04 0.00 0.00 177.00 177.56 1xlf s ARG 289 N -3.44 3.48 -0.09 4.56 3.00 -0.53 -4.44 118.95 121.49 1xlf s ARG 289 Ca 0.76 -2.46 -0.10 0.00 0.00 0.00 0.00 55.73 53.93 1xlf s ARG 289 Cb -0.29 -4.35 -0.05 0.00 0.00 0.00 0.00 34.95 30.26 1xlf s ARG 289 CO 0.34 -1.28 0.24 -1.58 0.00 0.00 0.00 175.30 173.03 1xlf s HIS 290 N 0.17 3.61 -0.25 -0.53 2.46 -1.24 -2.17 115.29 117.34 1xlf s HIS 290 Ca 0.17 0.67 -0.06 0.00 0.47 0.00 0.00 55.06 56.31 1xlf s HIS 290 Cb -0.12 -2.12 -0.02 0.00 -0.13 0.00 0.00 32.58 30.20 1xlf s HIS 290 CO -0.08 0.62 0.04 -0.06 -2.47 0.00 0.00 174.74 172.79 1xlf s PHE 291 N -0.76 3.06 -0.65 3.88 0.08 -0.48 -1.01 117.98 122.09 1xlf s PHE 291 Ca 0.17 -0.60 -0.01 0.00 0.12 0.00 0.00 56.93 56.62 1xlf s PHE 291 Cb -0.14 -2.21 0.16 0.00 -0.57 0.00 0.00 43.02 40.27 1xlf s PHE 291 CO 0.07 -0.42 0.46 0.34 -0.10 0.00 0.00 175.22 175.56 1xlf s ASP 292 N 1.57 5.12 0.31 1.36 2.15 -0.98 -3.91 116.67 122.29 1xlf s ASP 292 Ca 0.06 -3.10 0.03 0.00 0.43 0.00 0.00 52.55 49.97 1xlf s ASP 292 Cb -0.15 -1.80 -0.04 0.00 -0.30 0.00 0.00 42.92 40.63 1xlf s ASP 292 CO 0.02 -0.29 0.15 -0.72 -0.17 0.00 0.00 175.17 174.15 1xlf s TYR 293 N -0.42 1.62 -0.06 -5.34 1.13 -1.26 -4.60 117.35 108.42 1xlf s TYR 293 Ca 0.19 -1.33 0.01 0.00 -1.41 0.00 0.00 57.07 54.53 1xlf s TYR 293 Cb -0.18 -0.90 0.02 0.00 -1.10 0.00 0.00 41.96 39.79 1xlf s TYR 293 CO -0.05 -0.46 -0.07 0.15 -2.51 0.00 0.00 175.55 172.61 1xlf s LYS 294 N -3.83 1.14 -0.01 -3.49 1.02 0.77 -4.46 119.74 110.89 1xlf s LYS 294 Ca 0.35 -0.20 -0.30 0.00 0.02 0.00 0.00 55.97 55.84 1xlf s LYS 294 Cb 0.05 -1.09 -0.07 0.00 -0.52 0.00 0.00 37.83 36.21 1xlf s LYS 294 CO 0.17 -0.08 1.74 -2.14 -0.92 0.00 0.00 175.35 174.12 1xlf s PRO 295 N 0.97 4.17 0.16 -1.68 0.02 -1.26 -4.64 135.00 132.75 1xlf s PRO 295 Ca -0.10 2.33 -0.31 0.00 0.02 0.00 0.00 61.00 62.94 1xlf s PRO 295 Cb -0.14 -3.97 -0.17 0.00 0.02 0.00 0.00 34.50 30.23 1xlf s PRO 295 CO 0.00 -0.86 0.73 0.43 -0.33 0.00 0.00 177.00 176.97 1xlf n SER 296 N 7.00 -0.58 0.00 2.53 7.64 -1.26 -4.84 113.62 124.11 1xlf n SER 296 Ca 0.18 1.14 0.02 0.00 1.01 0.00 0.00 58.87 61.22 1xlf n SER 296 Cb 0.42 -0.99 0.11 0.00 -1.01 0.00 0.00 64.21 62.74 1xlf n SER 296 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1xlf n ARG 297 N 1.14 0.00 0.09 1.43 1.85 -1.26 -2.82 116.66 117.09 1xlf n ARG 297 Ca 0.17 0.41 -0.03 0.00 -1.00 0.00 0.00 57.85 57.41 1xlf n ARG 297 Cb 0.22 -1.50 0.19 0.00 -1.05 0.00 0.00 32.46 30.32 1xlf n ARG 297 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1xlf h THR 298 N 0.00 1.33 -3.24 8.89 1.35 -1.97 -3.45 112.91 115.81 1xlf h THR 298 Ca 0.00 -1.65 -0.57 0.00 -0.55 0.00 0.00 66.41 63.64 1xlf h THR 298 Cb 0.09 1.77 -0.04 0.00 -1.73 0.00 0.00 68.15 68.24 1xlf h THR 298 CO 0.00 0.49 -0.03 -1.81 -0.25 0.00 0.00 175.52 173.92 1xlf s ASP 299 N -6.88 7.06 0.52 5.36 1.11 -1.13 -5.11 116.67 117.61 1xlf s ASP 299 Ca -0.04 1.26 -0.00 0.00 0.18 0.00 0.00 52.55 53.95 1xlf s ASP 299 Cb 0.13 -2.36 0.03 0.00 1.07 0.00 0.00 42.92 41.79 1xlf s ASP 299 CO 0.78 0.27 0.17 0.61 1.18 0.00 0.00 175.17 178.18 1xlf n GLY 300 N 1.69 0.48 0.34 0.21 0.00 -1.26 -4.85 105.19 101.80 1xlf n GLY 300 Ca -0.10 -1.93 0.16 0.00 0.00 0.00 0.00 46.02 44.16 1xlf n GLY 300 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xlf h TYR 301 N -0.52 0.00 -0.32 1.61 0.05 -1.99 0.41 116.97 116.21 1xlf h TYR 301 Ca -0.06 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.63 1xlf h TYR 301 Cb 0.20 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 1xlf h TYR 301 CO 0.00 0.00 -0.18 -0.44 -1.05 0.00 0.00 178.16 176.49 1xlf h ASP 302 N 0.00 0.59 -0.83 3.88 3.32 -2.01 -2.13 116.42 119.24 1xlf h ASP 302 Ca 0.15 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.06 1xlf h ASP 302 Cb 0.64 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.98 1xlf h ASP 302 CO -0.00 0.78 0.53 1.23 -1.72 0.00 0.00 179.24 180.05 1xlf h GLY 303 N 0.98 1.21 0.85 2.75 0.00 -1.26 -1.82 103.07 105.78 1xlf h GLY 303 Ca 0.09 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.03 1xlf h GLY 303 CO 0.04 0.33 -0.03 -2.08 0.00 0.00 0.00 176.54 174.80 1xlf h VAL 304 N 1.01 0.90 -0.00 4.60 2.07 -1.17 0.24 116.25 123.90 1xlf h VAL 304 Ca 0.34 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.68 1xlf h VAL 304 Cb 0.04 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1xlf h VAL 304 CO -0.12 0.00 -0.79 -0.50 0.02 0.00 0.00 177.57 176.17 1xlf h TRP 305 N -0.03 0.10 -0.16 1.57 4.06 -1.38 -2.00 115.95 118.12 1xlf h TRP 305 Ca 0.03 -0.05 0.02 0.00 2.06 0.00 0.00 58.89 60.95 1xlf h TRP 305 Cb 0.08 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.21 1xlf h TRP 305 CO -0.13 0.83 0.04 -0.44 -3.56 0.00 0.00 178.44 175.17 1xlf h ASP 306 N 0.04 0.02 -0.44 -3.49 3.32 -1.07 -2.09 116.42 112.71 1xlf h ASP 306 Ca -0.02 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1xlf h ASP 306 Cb 1.39 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.95 1xlf h ASP 306 CO 0.11 0.04 -0.02 0.77 -1.72 0.00 0.00 179.24 178.42 1xlf h SER 307 N 0.10 0.84 -0.55 6.45 4.64 -0.84 0.30 113.55 124.49 1xlf h SER 307 Ca 0.07 -0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1xlf h SER 307 Cb 0.06 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.90 1xlf h SER 307 CO -0.09 0.91 0.36 0.00 -0.87 0.00 0.00 176.83 177.15 1xlf h ALA 308 N 1.18 0.70 -0.25 5.18 0.00 -1.29 -1.97 119.26 122.81 1xlf h ALA 308 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1xlf h ALA 308 Cb 0.50 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1xlf h ALA 308 CO 0.03 0.13 -0.05 -0.22 0.00 0.00 0.00 179.25 179.14 1xlf h LYS 309 N 0.74 0.47 -0.98 0.00 3.64 -0.97 -3.18 116.57 116.29 1xlf h LYS 309 Ca 0.20 -0.18 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 1xlf h LYS 309 Cb -0.08 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.64 1xlf h LYS 309 CO -0.05 0.69 0.63 0.00 -2.27 0.00 0.00 179.45 178.45 1xlf h ALA 310 N 0.77 1.40 -0.07 5.00 0.00 -0.13 -0.70 119.26 125.52 1xlf h ALA 310 Ca 0.06 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1xlf h ALA 310 Cb 0.51 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1xlf h ALA 310 CO 0.02 0.36 -0.21 -0.91 0.00 0.00 0.00 179.25 178.51 1xlf h ASN 311 N 1.10 -0.63 -0.18 0.00 2.35 -1.34 -0.10 115.58 116.78 1xlf h ASN 311 Ca 0.44 0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 56.17 1xlf h ASN 311 Cb 0.26 0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1xlf h ASN 311 CO -0.20 -0.27 -0.32 0.24 -1.65 0.00 0.00 177.43 175.24 1xlf h MET 312 N -0.30 0.68 -0.10 0.81 2.86 -1.49 -2.31 114.93 115.08 1xlf h MET 312 Ca 0.08 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1xlf h MET 312 Cb 0.41 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1xlf h MET 312 CO -0.24 0.90 -0.00 0.77 1.06 0.00 0.00 176.91 179.40 1xlf h SER 313 N 0.57 0.17 -0.18 1.22 0.02 -0.85 -1.13 113.55 113.37 1xlf h SER 313 Ca 0.07 -0.31 0.05 0.00 -0.84 0.00 0.00 61.79 60.75 1xlf h SER 313 Cb 0.82 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.25 1xlf h SER 313 CO 0.07 0.44 -0.39 0.24 -1.14 0.00 0.00 176.83 176.06 1xlf h MET 314 N -0.11 -0.41 -0.23 3.45 2.07 -1.02 0.57 114.93 119.25 1xlf h MET 314 Ca 0.03 0.03 0.06 0.00 -2.07 0.00 0.00 59.70 57.74 1xlf h MET 314 Cb 0.36 0.09 -0.06 0.00 -1.87 0.00 0.00 31.60 30.12 1xlf h MET 314 CO 0.01 -0.28 -0.15 -0.92 1.07 0.00 0.00 176.91 176.64 1xlf h TYR 315 N -0.43 -0.37 -0.49 -0.22 5.03 -1.43 0.07 116.97 119.13 1xlf h TYR 315 Ca 0.10 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 1xlf h TYR 315 Cb 0.59 0.20 -0.02 0.00 1.55 0.00 0.00 36.73 39.05 1xlf h TYR 315 CO -0.48 -0.22 0.27 -0.07 -1.32 0.00 0.00 178.16 176.34 1xlf h LEU 316 N -0.14 0.61 -0.82 2.82 3.38 -0.40 -1.20 115.31 119.57 1xlf h LEU 316 Ca 0.13 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1xlf h LEU 316 Cb 0.33 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1xlf h LEU 316 CO -0.31 0.53 0.51 -0.07 0.09 0.00 0.00 178.44 179.19 1xlf h LEU 317 N 0.65 0.84 -0.64 1.67 3.38 0.35 -1.01 115.31 120.54 1xlf h LEU 317 Ca 0.17 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 1xlf h LEU 317 Cb 0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1xlf h LEU 317 CO -0.03 0.57 -0.47 -0.07 0.09 0.00 0.00 178.44 178.53 1xlf h LEU 318 N 0.98 0.55 -0.41 1.67 3.38 -0.74 -2.82 115.31 117.92 1xlf h LEU 318 Ca 0.34 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1xlf h LEU 318 Cb 0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1xlf h LEU 318 CO -0.13 0.93 0.21 0.50 0.09 0.00 0.00 178.44 180.05 1xlf h LYS 319 N 0.41 0.59 0.22 1.13 3.64 -0.85 0.00 116.57 121.71 1xlf h LYS 319 Ca 0.02 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1xlf h LYS 319 Cb 0.98 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1xlf h LYS 319 CO 0.09 0.49 -0.18 1.49 -2.27 0.00 0.00 179.45 179.06 1xlf h GLU 320 N 0.53 -0.40 -0.41 1.90 4.81 -1.08 -0.34 114.58 119.59 1xlf h GLU 320 Ca 0.14 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1xlf h GLU 320 Cb 0.09 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1xlf h GLU 320 CO -0.02 -0.27 0.22 0.00 -0.73 0.00 0.00 179.01 178.21 1xlf h ARG 321 N -0.42 0.43 -0.47 1.92 3.08 -1.43 -1.81 114.38 115.68 1xlf h ARG 321 Ca -0.01 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1xlf h ARG 321 Cb 0.38 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1xlf h ARG 321 CO -0.02 0.29 0.15 0.00 -1.07 0.00 0.00 179.97 179.31 1xlf h ALA 322 N 1.20 1.39 -0.18 0.04 0.00 -0.83 0.14 119.26 121.03 1xlf h ALA 322 Ca 0.17 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1xlf h ALA 322 Cb 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xlf h ALA 322 CO -0.10 0.45 -0.43 -0.07 0.00 0.00 0.00 179.25 179.10 1xlf h LEU 323 N 0.67 0.68 -0.49 0.00 3.38 -0.77 -2.90 115.31 115.90 1xlf h LEU 323 Ca 0.16 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1xlf h LEU 323 Cb 0.19 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1xlf h LEU 323 CO -0.01 1.13 0.19 0.00 0.09 0.00 0.00 178.44 179.84 1xlf h ALA 324 N 0.57 0.63 0.36 1.53 0.00 -1.05 -2.41 119.26 118.89 1xlf h ALA 324 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xlf h ALA 324 Cb 1.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1xlf h ALA 324 CO 0.09 0.24 -0.48 0.35 0.00 0.00 0.00 179.25 179.46 1xlf h PHE 325 N 0.64 -1.34 0.00 0.00 3.57 -0.77 -1.94 116.94 117.10 1xlf h PHE 325 Ca 0.16 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1xlf h PHE 325 Cb 0.20 0.54 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1xlf h PHE 325 CO 0.00 -0.62 -0.24 0.00 -2.23 0.00 0.00 178.31 175.22 1xlf h ARG 326 N -0.88 0.00 0.00 1.11 2.47 -1.50 -2.92 114.38 112.67 1xlf h ARG 326 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1xlf h ARG 326 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 1xlf h ARG 326 CO -0.13 0.24 0.00 0.00 0.56 0.00 0.00 179.97 180.64 1xlf h ALA 327 N 1.76 1.00 -2.29 0.04 0.00 -1.23 -3.44 119.26 115.09 1xlf h ALA 327 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1xlf h ALA 327 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1xlf h ALA 327 CO 0.03 0.00 0.96 0.34 0.00 0.00 0.00 179.25 180.58 1xlf s ASP 328 N -5.47 6.78 0.26 0.00 -1.08 -0.75 -4.94 116.67 111.47 1xlf s ASP 328 Ca 0.07 2.11 -0.02 0.00 -0.52 0.00 0.00 52.55 54.19 1xlf s ASP 328 Cb 0.08 -2.55 0.43 0.00 -1.46 0.00 0.00 42.92 39.43 1xlf s ASP 328 CO 0.61 -0.82 1.86 -0.65 0.52 0.00 0.00 175.17 176.69 1xlf h PRO 329 N 8.59 1.04 -0.42 4.34 0.11 -1.88 -0.93 132.00 142.84 1xlf h PRO 329 Ca -0.37 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.72 1xlf h PRO 329 Cb 1.17 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 32.01 1xlf h PRO 329 CO 0.94 0.69 0.21 1.49 -0.21 0.00 0.00 178.00 181.11 1xlf h GLU 330 N 1.07 0.40 -0.31 1.05 4.57 -1.95 -1.06 114.58 118.35 1xlf h GLU 330 Ca 0.44 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.58 1xlf h GLU 330 Cb 0.27 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1xlf h GLU 330 CO -0.20 0.27 0.12 0.28 -1.18 0.00 0.00 179.01 178.30 1xlf h VAL 331 N 0.42 1.18 -0.92 0.32 2.07 -1.49 -1.90 116.25 115.92 1xlf h VAL 331 Ca 0.18 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1xlf h VAL 331 Cb 0.09 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1xlf h VAL 331 CO -0.13 0.19 0.55 1.56 0.02 0.00 0.00 177.57 179.76 1xlf h GLN 332 N 0.35 1.26 -0.24 1.57 1.08 -1.06 -1.72 115.11 116.35 1xlf h GLN 332 Ca 0.10 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1xlf h GLN 332 Cb 0.18 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1xlf h GLN 332 CO -0.01 0.88 0.08 1.49 -0.95 0.00 0.00 178.83 180.33 1xlf h GLU 333 N 1.28 0.36 -0.85 1.46 4.81 -1.05 -2.60 114.58 117.99 1xlf h GLU 333 Ca 0.33 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1xlf h GLU 333 Cb -0.05 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 1xlf h GLU 333 CO -0.06 0.43 0.56 0.00 -0.73 0.00 0.00 179.01 179.21 1xlf h ALA 334 N 0.91 1.43 -0.44 2.92 0.00 -0.92 -2.11 119.26 121.05 1xlf h ALA 334 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1xlf h ALA 334 Cb 0.22 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xlf h ALA 334 CO -0.00 0.52 -0.05 0.52 0.00 0.00 0.00 179.25 180.23 1xlf h MET 335 N 1.11 0.75 0.06 0.00 2.86 -1.21 -1.96 114.93 116.54 1xlf h MET 335 Ca 0.32 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1xlf h MET 335 Cb -0.07 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.51 1xlf h MET 335 CO -0.08 0.79 -0.03 -0.22 1.06 0.00 0.00 176.91 178.43 1xlf h LYS 336 N 0.69 -0.08 -0.68 1.72 3.11 -1.24 0.25 116.57 120.34 1xlf h LYS 336 Ca 0.13 0.01 0.09 0.00 -2.81 0.00 0.00 60.65 58.06 1xlf h LYS 336 Cb 0.50 0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 31.68 1xlf h LYS 336 CO 0.03 0.49 0.33 1.15 -2.81 0.00 0.00 179.45 178.63 1xlf h THR 337 N -0.72 0.85 0.00 1.00 2.02 -1.31 -1.70 112.91 113.05 1xlf h THR 337 Ca -0.01 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1xlf h THR 337 Cb 0.60 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1xlf h THR 337 CO 0.01 0.10 0.00 -1.20 0.37 0.00 0.00 175.52 174.81 1xlf n SER 338 N -4.88 0.00 -0.10 4.18 7.64 -0.74 -4.85 113.62 114.86 1xlf n SER 338 Ca 0.10 0.35 -0.01 0.00 1.01 0.00 0.00 58.87 60.32 1xlf n SER 338 Cb 0.26 -0.44 -0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1xlf n SER 338 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xlf n GLY 339 N 0.48 0.41 0.25 0.23 0.00 -0.64 -4.96 105.19 100.96 1xlf n GLY 339 Ca 0.06 -0.96 -0.03 0.00 0.00 0.00 0.00 46.02 45.09 1xlf n GLY 339 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xlf h VAL 340 N 0.00 1.24 0.00 1.61 2.07 -0.70 -1.88 116.25 118.59 1xlf h VAL 340 Ca -0.02 -1.10 -0.22 0.00 0.82 0.00 0.00 66.70 66.17 1xlf h VAL 340 Cb 0.47 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1xlf h VAL 340 CO 0.03 0.36 -1.17 -0.26 0.02 0.00 0.00 177.57 176.55 1xlf h PHE 341 N 0.50 0.00 -0.43 1.57 0.04 -1.85 -3.30 116.94 113.48 1xlf h PHE 341 Ca 0.09 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.87 1xlf h PHE 341 Cb 0.55 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.68 1xlf h PHE 341 CO 0.02 0.93 0.28 0.93 -0.60 0.00 0.00 178.31 179.88 1xlf h GLU 342 N 0.00 0.51 -0.83 1.51 5.08 -1.79 -1.91 114.58 117.15 1xlf h GLU 342 Ca -0.09 -0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.38 1xlf h GLU 342 Cb 1.79 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.87 1xlf h GLU 342 CO 0.11 0.34 0.54 1.25 -1.00 0.00 0.00 179.01 180.24 1xlf h LEU 343 N 0.52 0.55 -1.66 1.33 5.85 -1.43 -1.85 115.31 118.63 1xlf h LEU 343 Ca 0.16 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1xlf h LEU 343 Cb 0.02 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1xlf h LEU 343 CO -0.04 0.28 0.00 1.23 -0.34 0.00 0.00 178.44 179.58 1xlf h GLY 344 N 0.58 0.00 -4.36 3.75 0.00 -1.53 -3.44 103.07 98.07 1xlf h GLY 344 Ca 0.41 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.21 1xlf h GLY 344 CO -0.17 0.00 0.41 -0.54 0.00 0.00 0.00 176.54 176.25 1xlf s GLU 345 N -3.70 4.55 0.57 4.80 2.02 -0.70 -5.02 118.70 121.23 1xlf s GLU 345 Ca 0.00 1.51 -0.21 0.00 0.02 0.00 0.00 54.97 56.29 1xlf s GLU 345 Cb 0.10 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 1xlf s GLU 345 CO 0.45 -0.05 1.33 0.95 0.02 0.00 0.00 175.26 177.96 1xlf s THR 346 N 0.81 2.14 0.00 3.63 -4.23 -1.26 -4.93 115.64 111.81 1xlf s THR 346 Ca 0.53 0.10 -0.25 0.00 -1.18 0.00 0.00 61.69 60.88 1xlf s THR 346 Cb -0.24 -3.05 -0.19 0.00 1.34 0.00 0.00 72.50 70.37 1xlf s THR 346 CO 0.29 -0.01 1.36 0.74 -0.54 0.00 0.00 174.62 176.46 1xlf h THR 347 N 1.25 1.29 -4.25 3.99 2.02 -1.95 -3.43 112.91 111.82 1xlf h THR 347 Ca -0.51 -0.90 -0.51 0.00 0.77 0.00 0.00 66.41 65.27 1xlf h THR 347 Cb 1.31 1.90 0.06 0.00 -1.74 0.00 0.00 68.15 69.67 1xlf h THR 347 CO 0.56 0.23 0.38 -0.76 0.37 0.00 0.00 175.52 176.30 1xlf s LEU 348 N -9.43 3.27 0.49 2.58 1.43 -1.26 -5.07 118.68 110.68 1xlf s LEU 348 Ca -0.15 1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 54.17 1xlf s LEU 348 Cb 0.03 -4.37 -0.06 0.00 0.03 0.00 0.00 46.19 41.81 1xlf s LEU 348 CO 0.67 -0.84 0.89 0.20 0.23 0.00 0.00 176.35 177.49 1xlf s ASN 349 N -4.18 6.48 0.20 2.29 0.01 -1.26 -5.00 114.94 113.49 1xlf s ASN 349 Ca 0.54 1.30 -0.32 0.00 -0.71 0.00 0.00 52.86 53.67 1xlf s ASN 349 Cb -0.11 -2.40 -0.13 0.00 0.41 0.00 0.00 41.25 39.02 1xlf s ASN 349 CO 0.53 -0.56 1.64 0.00 -1.51 0.00 0.00 177.10 177.20 1xlf n ALA 350 N -1.74 2.22 -3.79 0.60 0.00 -1.26 -2.02 120.51 114.53 1xlf n ALA 350 Ca 0.04 0.41 -0.32 0.00 0.00 0.00 0.00 53.44 53.58 1xlf n ALA 350 Cb 0.54 -2.45 0.03 0.00 0.00 0.00 0.00 19.45 17.57 1xlf n ALA 350 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xlf n GLY 351 N 3.49 -0.79 3.14 0.00 0.00 -1.26 -4.97 105.19 104.80 1xlf n GLY 351 Ca 0.15 0.37 -0.32 0.00 0.00 0.00 0.00 46.02 46.23 1xlf n GLY 351 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xlf s GLU 352 N -6.27 2.83 0.58 1.61 2.12 -0.85 -5.13 118.70 113.58 1xlf s GLU 352 Ca 0.36 -0.79 0.09 0.00 0.36 0.00 0.00 54.97 55.00 1xlf s GLU 352 Cb -0.14 -2.30 0.09 0.00 0.26 0.00 0.00 34.13 32.03 1xlf s GLU 352 CO 0.88 -0.02 0.75 -1.54 -0.54 0.00 0.00 175.26 174.79 1xlf s SER 353 N 0.84 5.01 0.11 -1.70 1.04 -1.26 -4.79 113.70 112.94 1xlf s SER 353 Ca -0.07 -0.93 -0.31 0.00 0.48 0.00 0.00 55.95 55.12 1xlf s SER 353 Cb -0.15 0.38 -0.11 0.00 0.10 0.00 0.00 66.02 66.24 1xlf s SER 353 CO -0.02 -1.34 1.59 0.00 0.98 0.00 0.00 173.24 174.45 1xlf h ALA 354 N 0.23 -0.74 -0.52 5.32 0.00 -2.00 -2.12 119.26 119.42 1xlf h ALA 354 Ca -0.30 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.60 1xlf h ALA 354 Cb 1.29 0.65 -0.06 0.00 0.00 0.00 0.00 17.79 19.67 1xlf h ALA 354 CO 0.43 -0.98 0.19 0.00 0.00 0.00 0.00 179.25 178.89 1xlf h ALA 355 N -0.19 0.65 -0.97 0.00 0.00 -2.00 -1.19 119.26 115.56 1xlf h ALA 355 Ca 0.01 0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.14 1xlf h ALA 355 Cb 0.68 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 1xlf h ALA 355 CO -0.20 -0.21 0.59 -0.44 0.00 0.00 0.00 179.25 178.99 1xlf h ASP 356 N 0.36 0.82 -0.06 0.00 3.32 -1.84 -2.67 116.42 116.36 1xlf h ASP 356 Ca 0.26 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 1xlf h ASP 356 Cb 0.28 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1xlf h ASP 356 CO -0.26 0.38 -0.12 0.25 -1.72 0.00 0.00 179.24 177.77 1xlf h LEU 357 N 0.86 0.21 -1.18 1.55 5.85 -0.69 -1.78 115.31 120.14 1xlf h LEU 357 Ca 0.51 -0.57 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1xlf h LEU 357 Cb 0.63 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1xlf h LEU 357 CO -0.31 0.74 0.56 0.24 -0.34 0.00 0.00 178.44 179.33 1xlf h MET 358 N -0.31 1.03 -0.04 1.25 2.86 -0.92 -0.56 114.93 118.25 1xlf h MET 358 Ca 0.00 -0.06 -0.18 0.00 -2.06 0.00 0.00 59.70 57.40 1xlf h MET 358 Cb 0.71 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1xlf h MET 358 CO 0.03 0.68 -0.75 -0.97 1.06 0.00 0.00 176.91 176.96 1xlf h ASN 359 N 1.06 0.32 -1.91 1.22 -0.00 -1.62 -3.44 115.58 111.22 1xlf h ASN 359 Ca 0.34 -0.22 -0.56 0.00 -0.00 0.00 0.00 56.30 55.86 1xlf h ASN 359 Cb 0.03 -0.10 0.00 0.00 -0.00 0.00 0.00 38.32 38.26 1xlf h ASN 359 CO -0.10 0.95 1.53 -0.62 -0.00 0.00 0.00 177.43 179.19 1xlf s ASP 360 N -6.93 5.20 0.42 1.15 2.15 -0.22 -4.83 116.67 113.61 1xlf s ASP 360 Ca -0.04 1.69 0.10 0.00 0.43 0.00 0.00 52.55 54.73 1xlf s ASP 360 Cb 0.11 -2.51 0.94 0.00 -0.30 0.00 0.00 42.92 41.16 1xlf s ASP 360 CO 0.82 -2.19 2.03 -1.28 -0.17 0.00 0.00 175.17 174.38 1xlf h SER 361 N 16.18 0.42 -0.61 -0.34 0.87 -1.84 -2.43 113.55 125.80 1xlf h SER 361 Ca -0.37 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.10 1xlf h SER 361 Cb 1.25 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 63.09 1xlf h SER 361 CO 1.01 0.28 0.04 0.00 -0.53 0.00 0.00 176.83 177.64 1xlf h ALA 362 N 1.73 0.90 0.00 6.23 0.00 -1.88 1.06 119.26 127.30 1xlf h ALA 362 Ca 0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1xlf h ALA 362 Cb 0.19 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xlf h ALA 362 CO -0.05 0.66 -0.19 0.77 0.00 0.00 0.00 179.25 180.44 1xlf h SER 363 N 0.98 0.00 0.00 0.00 0.02 -1.77 -3.28 113.55 109.50 1xlf h SER 363 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1xlf h SER 363 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1xlf h SER 363 CO 0.02 0.07 0.00 0.33 -1.14 0.00 0.00 176.83 176.12 1xlf n PHE 364 N -3.07 0.00 -0.29 3.45 7.35 -1.19 -4.74 117.46 118.96 1xlf n PHE 364 Ca 0.03 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.82 1xlf n PHE 364 Cb 0.56 0.00 0.23 0.00 0.35 0.00 0.00 39.48 40.62 1xlf n PHE 364 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xlf h ALA 365 N 0.91 1.02 -0.36 3.13 0.00 -1.79 -0.24 119.26 121.93 1xlf h ALA 365 Ca 0.00 0.27 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 1xlf h ALA 365 Cb 0.00 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 18.14 1xlf h ALA 365 CO 0.00 -0.48 -0.04 0.41 0.00 0.00 0.00 179.25 179.14 1xlf n GLY 366 N -1.44 4.76 3.72 0.00 0.00 0.37 -4.98 105.19 107.62 1xlf n GLY 366 Ca 0.18 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1xlf n GLY 366 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xlf s PHE 367 N -3.19 3.70 -1.06 1.61 5.36 -0.10 -4.83 117.98 119.47 1xlf s PHE 367 Ca 0.45 1.69 -0.16 0.00 -0.96 0.00 0.00 56.93 57.95 1xlf s PHE 367 Cb 0.40 -3.14 0.17 0.00 -0.34 0.00 0.00 43.02 40.10 1xlf s PHE 367 CO 0.01 -0.13 1.23 0.34 -1.46 0.00 0.00 175.22 175.22 1xlf s ASP 368 N 0.37 6.88 0.21 6.13 -1.08 -1.26 -4.87 116.67 123.05 1xlf s ASP 368 Ca 0.50 -2.62 -0.09 0.00 -0.52 0.00 0.00 52.55 49.82 1xlf s ASP 368 Cb -0.24 -2.37 0.26 0.00 -1.46 0.00 0.00 42.92 39.11 1xlf s ASP 368 CO 0.30 -0.83 1.77 0.00 0.52 0.00 0.00 175.17 176.93 1xlf h ALA 369 N 7.87 0.83 -0.40 3.66 0.00 -1.96 0.12 119.26 129.37 1xlf h ALA 369 Ca 0.22 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1xlf h ALA 369 Cb 0.95 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1xlf h ALA 369 CO 1.13 -0.09 0.06 0.93 0.00 0.00 0.00 179.25 181.28 1xlf h GLU 370 N 0.52 0.67 -0.49 0.00 4.39 -1.99 -1.07 114.58 116.62 1xlf h GLU 370 Ca 0.30 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.71 1xlf h GLU 370 Cb 0.30 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1xlf h GLU 370 CO -0.25 0.72 -0.09 0.00 -1.16 0.00 0.00 179.01 178.23 1xlf h ALA 371 N 0.92 0.67 -0.42 3.43 0.00 -1.59 -3.01 119.26 119.26 1xlf h ALA 371 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xlf h ALA 371 Cb 0.38 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1xlf h ALA 371 CO 0.01 0.57 0.27 0.00 0.00 0.00 0.00 179.25 180.10 1xlf h ALA 372 N 0.90 1.69 0.00 0.00 0.00 -0.55 -1.95 119.26 119.34 1xlf h ALA 372 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xlf h ALA 372 Cb 0.64 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xlf h ALA 372 CO 0.04 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1xlf n ALA 373 N -2.47 1.59 0.20 0.00 0.00 -0.43 -2.74 120.51 116.66 1xlf n ALA 373 Ca 0.03 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.52 1xlf n ALA 373 Cb 0.06 -1.21 0.14 0.00 0.00 0.00 0.00 19.45 18.44 1xlf n ALA 373 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xlf h GLU 374 N 0.00 0.00 -6.16 0.00 5.08 -1.41 -3.46 114.58 108.63 1xlf h GLU 374 Ca 0.00 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.64 1xlf h GLU 374 Cb 0.22 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.53 1xlf h GLU 374 CO 0.00 0.15 0.23 -2.13 -1.00 0.00 0.00 179.01 176.26 1xlf n ARG 375 N -3.14 0.66 -3.04 2.33 0.63 -1.11 -4.91 116.66 108.08 1xlf n ARG 375 Ca 0.03 0.24 -0.44 0.00 -0.92 0.00 0.00 57.85 56.76 1xlf n ARG 375 Cb 0.59 -1.77 -0.04 0.00 0.45 0.00 0.00 32.46 31.68 1xlf n ARG 375 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1xlf s ASN 376 N 0.16 6.23 0.48 6.15 2.47 -1.26 -4.91 114.94 124.26 1xlf s ASN 376 Ca 0.84 -1.41 0.25 0.00 0.42 0.00 0.00 52.86 52.97 1xlf s ASN 376 Cb -1.06 -2.34 1.23 0.00 -1.45 0.00 0.00 41.25 37.63 1xlf s ASN 376 CO 0.52 -1.18 1.97 -0.26 -3.72 0.00 0.00 177.10 174.43 1xlf h PHE 377 N 9.22 0.00 -6.23 0.43 0.04 -1.91 -3.46 116.94 115.03 1xlf h PHE 377 Ca -0.24 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.08 1xlf h PHE 377 Cb 1.08 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.24 1xlf h PHE 377 CO 0.90 0.18 -0.85 0.00 -0.60 0.00 0.00 178.31 177.94 1xlf n ALA 378 N -2.28 -2.03 0.09 2.45 0.00 -1.26 -4.03 120.51 113.45 1xlf n ALA 378 Ca -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 53.44 53.18 1xlf n ALA 378 Cb 0.31 -1.85 0.01 0.00 0.00 0.00 0.00 19.45 17.92 1xlf n ALA 378 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1xlf h PHE 379 N -1.85 0.00 0.08 0.00 0.04 -1.96 -3.01 116.94 110.24 1xlf h PHE 379 Ca -0.62 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.15 1xlf h PHE 379 Cb 1.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.51 1xlf h PHE 379 CO 0.47 0.83 -0.04 0.82 -0.60 0.00 0.00 178.31 179.79 1xlf h ILE 380 N 0.00 1.03 -0.35 -0.55 2.04 -1.99 -1.27 117.51 116.42 1xlf h ILE 380 Ca -0.01 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1xlf h ILE 380 Cb 1.48 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 1xlf h ILE 380 CO 0.11 0.10 0.23 -0.09 0.00 0.00 0.00 178.15 178.49 1xlf h ARG 381 N -0.28 0.47 -0.99 2.37 2.43 -1.97 -0.79 114.38 115.63 1xlf h ARG 381 Ca -0.01 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1xlf h ARG 381 Cb 0.24 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.63 1xlf h ARG 381 CO 0.02 0.33 0.65 1.25 -1.51 0.00 0.00 179.97 180.71 1xlf h LEU 382 N 0.47 1.08 -0.63 3.80 5.85 -1.44 -0.92 115.31 123.52 1xlf h LEU 382 Ca 0.13 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 1xlf h LEU 382 Cb -0.03 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 1xlf h LEU 382 CO -0.03 0.74 -0.34 -1.13 -0.34 0.00 0.00 178.44 177.34 1xlf h ASN 383 N 1.25 0.73 -0.25 1.25 -1.24 -0.79 -2.37 115.58 114.17 1xlf h ASN 383 Ca 0.39 -0.31 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 1xlf h ASN 383 Cb 0.00 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 1xlf h ASN 383 CO -0.13 1.01 0.15 -0.61 -1.29 0.00 0.00 177.43 176.56 1xlf h GLN 384 N 0.58 0.34 -0.14 6.67 5.75 -0.54 -0.87 115.11 126.90 1xlf h GLN 384 Ca 0.06 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1xlf h GLN 384 Cb 0.86 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.33 1xlf h GLN 384 CO 0.08 0.26 0.07 -0.07 -2.65 0.00 0.00 178.83 176.52 1xlf h LEU 385 N 0.31 0.11 -0.21 -2.39 3.38 -1.04 -0.70 115.31 114.77 1xlf h LEU 385 Ca 0.09 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1xlf h LEU 385 Cb 0.01 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1xlf h LEU 385 CO -0.02 0.08 -0.17 0.00 0.09 0.00 0.00 178.44 178.43 1xlf h ALA 386 N 1.07 -0.03 -0.67 1.53 0.00 -0.95 -1.72 119.26 118.49 1xlf h ALA 386 Ca 0.06 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xlf h ALA 386 Cb 0.01 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1xlf h ALA 386 CO -0.04 -0.60 0.40 0.82 0.00 0.00 0.00 179.25 179.84 1xlf h ILE 387 N -0.18 1.20 -0.78 0.00 1.08 -0.85 -0.89 117.51 117.10 1xlf h ILE 387 Ca 0.12 -0.44 0.01 0.00 -0.39 0.00 0.00 64.86 64.16 1xlf h ILE 387 Cb 0.36 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 34.34 1xlf h ILE 387 CO -0.31 0.20 0.51 -0.33 -0.69 0.00 0.00 178.15 177.54 1xlf h GLU 388 N 0.92 1.01 -0.17 2.37 5.08 -0.65 -1.38 114.58 121.76 1xlf h GLU 388 Ca 0.24 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1xlf h GLU 388 Cb -0.02 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1xlf h GLU 388 CO -0.04 0.67 -0.01 0.45 -1.00 0.00 0.00 179.01 179.08 1xlf h HIS 389 N 1.04 0.33 -0.84 4.33 3.86 -0.72 -1.14 115.15 122.02 1xlf h HIS 389 Ca 0.29 -0.06 0.12 0.00 -1.16 0.00 0.00 60.37 59.55 1xlf h HIS 389 Cb -0.11 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.21 1xlf h HIS 389 CO -0.00 0.53 0.54 1.25 0.86 0.00 0.00 177.93 181.12 1xlf h LEU 390 N 0.04 0.65 -0.43 2.43 5.85 -0.51 -2.06 115.31 121.28 1xlf h LEU 390 Ca 0.05 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1xlf h LEU 390 Cb 0.40 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1xlf h LEU 390 CO 0.01 0.36 -0.14 0.18 -0.34 0.00 0.00 178.44 178.51 1xlf n LEU 391 N -4.53 0.81 -3.57 2.25 4.77 -0.58 -4.94 117.00 111.21 1xlf n LEU 391 Ca 0.15 -0.17 -0.20 0.00 -0.03 0.00 0.00 56.01 55.76 1xlf n LEU 391 Cb 0.40 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.43 1xlf n LEU 391 CO 0.31 0.15 0.06 0.61 -1.33 0.00 0.00 177.39 177.19 1xlf n GLY 392 N 1.27 -0.36 0.78 -0.72 0.00 -0.77 -4.90 105.19 100.49 1xlf n GLY 392 Ca 0.15 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.40 1xlf n GLY 392 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xlf n SER 393 N -3.08 2.62 0.00 1.61 3.41 -0.45 -5.03 113.62 112.70 1xlf n SER 393 Ca -0.24 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 1xlf n SER 393 Cb 0.65 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 1xlf n SER 393 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42