#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xlf n GLN 3 N 0.00 -2.95 -1.90 7.34 3.00 -1.26 -5.06 117.38 116.55 1xlf n GLN 3 Ca 0.00 2.39 -0.32 0.00 -0.01 0.00 0.00 57.00 59.06 1xlf n GLN 3 Cb 0.00 -3.52 0.02 0.00 0.00 0.00 0.00 30.24 26.74 1xlf n GLN 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1xlf s PRO 4 N -0.83 3.27 0.03 -1.09 0.04 -1.26 -5.07 135.00 130.09 1xlf s PRO 4 Ca -0.17 1.06 -0.09 0.00 0.04 0.00 0.00 61.00 61.84 1xlf s PRO 4 Cb 0.01 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1xlf s PRO 4 CO 0.45 -0.84 0.18 0.95 0.04 0.00 0.00 177.00 177.79 1xlf s THR 5 N -2.73 0.11 0.58 1.26 -4.23 -1.26 -4.75 115.64 104.62 1xlf s THR 5 Ca 0.60 -0.87 0.40 0.00 -1.18 0.00 0.00 61.69 60.65 1xlf s THR 5 Cb -0.14 -0.83 0.59 0.00 1.34 0.00 0.00 72.50 73.45 1xlf s THR 5 CO 0.44 -0.48 1.50 -0.65 -0.54 0.00 0.00 174.62 174.89 1xlf h PRO 6 N 3.60 0.00 0.00 3.99 0.11 -1.82 0.25 132.00 138.13 1xlf h PRO 6 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1xlf h PRO 6 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xlf h PRO 6 CO 0.47 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.26 1xlf n ALA 7 N -2.65 2.18 0.25 -0.75 0.00 -1.26 -2.82 120.51 115.46 1xlf n ALA 7 Ca 0.34 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.81 1xlf n ALA 7 Cb 1.74 -1.40 0.61 0.00 0.00 0.00 0.00 19.45 20.40 1xlf n ALA 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xlf h ASP 8 N 0.00 0.00 -4.93 0.00 3.32 -0.88 -3.48 116.42 110.46 1xlf h ASP 8 Ca 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 1xlf h ASP 8 Cb 0.36 0.00 0.12 0.00 0.22 0.00 0.00 39.33 40.03 1xlf h ASP 8 CO 0.00 0.14 -0.57 1.41 -1.72 0.00 0.00 179.24 178.50 1xlf n HIS 9 N -3.38 -2.19 -2.82 4.55 8.25 -1.13 -4.68 115.22 113.82 1xlf n HIS 9 Ca -0.00 0.81 -0.42 0.00 -0.26 0.00 0.00 57.72 57.84 1xlf n HIS 9 Cb 0.34 -4.33 -0.04 0.00 1.12 0.00 0.00 29.99 27.08 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 -3.27 3.21 0.10 4.41 0.08 -1.26 -1.08 117.98 120.18 1xlf s PHE 10 Ca 0.35 1.02 0.09 0.00 0.12 0.00 0.00 56.93 58.50 1xlf s PHE 10 Cb -0.15 -3.34 -0.04 0.00 -0.57 0.00 0.00 43.02 38.92 1xlf s PHE 10 CO 0.59 -0.60 -0.18 0.95 -0.10 0.00 0.00 175.22 175.87 1xlf s THR 11 N 3.17 2.80 0.00 0.64 -4.23 -0.68 0.17 115.64 117.51 1xlf s THR 11 Ca 0.37 -1.45 0.02 0.00 -1.18 0.00 0.00 61.69 59.46 1xlf s THR 11 Cb -0.14 -2.26 -0.01 0.00 1.34 0.00 0.00 72.50 71.44 1xlf s THR 11 CO 0.12 0.15 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.93 1xlf s PHE 12 N -1.09 0.53 0.42 3.99 0.40 -1.19 -1.40 117.98 119.64 1xlf s PHE 12 Ca 0.17 -0.15 -0.08 0.00 -0.60 0.00 0.00 56.93 56.27 1xlf s PHE 12 Cb -0.11 -0.33 -0.05 0.00 0.51 0.00 0.00 43.02 43.04 1xlf s PHE 12 CO 0.09 -0.02 0.76 0.20 0.70 0.00 0.00 175.22 176.95 1xlf s GLY 13 N -0.32 1.78 0.35 4.36 0.00 -1.25 -2.15 107.32 110.10 1xlf s GLY 13 Ca 0.01 -0.34 0.06 0.00 0.00 0.00 0.00 44.72 44.45 1xlf s GLY 13 CO -0.00 -0.17 1.89 -2.00 0.00 0.00 0.00 173.10 172.82 1xlf h LEU 14 N 0.93 0.40 0.00 0.66 5.85 -1.41 -2.23 115.31 119.52 1xlf h LEU 14 Ca -0.47 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1xlf h LEU 14 Cb 1.19 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1xlf h LEU 14 CO 0.63 0.50 0.00 -2.67 -0.34 0.00 0.00 178.44 176.56 1xlf n TRP 15 N -4.28 0.00 -0.02 1.25 2.14 -1.26 -1.97 117.44 113.30 1xlf n TRP 15 Ca 0.01 0.00 -0.01 0.00 2.07 0.00 0.00 57.50 59.57 1xlf n TRP 15 Cb 0.25 -0.49 -0.00 0.00 -0.81 0.00 0.00 31.31 30.26 1xlf n TRP 15 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 1xlf h THR 16 N 0.00 0.00 0.00 -1.67 1.35 -1.60 -2.79 112.91 108.20 1xlf h THR 16 Ca 0.00 -0.56 -0.09 0.00 -0.55 0.00 0.00 66.41 65.21 1xlf h THR 16 Cb 0.39 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.80 1xlf h THR 16 CO 0.00 0.00 -0.43 -0.37 -0.25 0.00 0.00 175.52 174.47 1xlf h VAL 17 N -0.60 1.18 0.00 6.82 -1.51 -1.69 -2.07 116.25 118.38 1xlf h VAL 17 Ca -0.00 -1.56 0.00 0.00 -1.23 0.00 0.00 66.70 63.91 1xlf h VAL 17 Cb 0.03 1.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1xlf h VAL 17 CO 0.01 0.43 0.00 0.61 -1.23 0.00 0.00 177.57 177.38 1xlf n GLY 18 N -0.07 -1.26 3.62 5.19 0.00 -0.83 -4.83 105.19 107.01 1xlf n GLY 18 Ca -0.01 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1xlf n GLY 18 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xlf s TRP 19 N -3.11 1.72 -1.48 1.61 -0.00 -0.78 -4.54 118.94 112.36 1xlf s TRP 19 Ca 0.08 0.38 0.29 0.00 -0.00 0.00 0.00 56.10 56.84 1xlf s TRP 19 Cb 0.11 -4.03 1.18 0.00 -0.00 0.00 0.00 33.47 30.73 1xlf s TRP 19 CO 0.39 -3.64 1.84 2.41 -0.00 0.00 0.00 176.95 177.95 1xlf n THR 20 N 6.69 0.00 0.00 5.86 -1.04 -1.26 -4.82 114.28 119.70 1xlf n THR 20 Ca 0.22 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 1xlf n THR 20 Cb 0.45 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 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 1.33 0.81 3.68 3.41 0.00 -1.26 0.55 105.19 113.71 1xlf n GLY 21 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 3.43 0.00 4.61 0.00 -1.26 -4.29 121.76 122.25 1xlf s ALA 22 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1xlf s ALA 22 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1xlf s ALA 22 CO 0.00 -0.62 0.00 -0.40 0.00 0.00 0.00 175.76 174.74 1xlf n ASP 23 N 5.08 1.89 0.12 0.00 5.68 -0.87 -4.94 116.55 123.52 1xlf n ASP 23 Ca 0.08 -0.95 -0.00 0.00 -0.50 0.00 0.00 54.79 53.42 1xlf n ASP 23 Cb 0.49 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.75 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 0.18 -0.61 0.11 0.11 -2.01 -3.10 132.00 126.68 1xlf h PRO 24 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1xlf h PRO 24 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1xlf h PRO 24 CO 0.00 0.52 0.00 1.19 -0.21 0.00 0.00 178.00 179.50 1xlf n PHE 25 N -4.08 1.22 -3.63 0.65 3.72 -1.26 -5.03 117.46 109.04 1xlf n PHE 25 Ca -0.01 -0.59 -0.02 0.00 -0.05 0.00 0.00 57.45 56.78 1xlf n PHE 25 Cb 0.43 -0.17 -0.01 0.00 -0.94 0.00 0.00 39.48 38.78 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 -1.01 -0.36 0.61 1.37 0.00 -1.17 -5.17 107.32 101.58 1xlf s GLY 26 Ca 0.47 0.79 -0.05 0.00 0.00 0.00 0.00 44.72 45.93 1xlf s GLY 26 CO 0.25 0.20 0.90 -1.34 0.00 0.00 0.00 173.10 173.11 1xlf s VAL 27 N -2.66 3.26 0.49 1.40 -7.23 -1.26 -2.04 120.40 112.35 1xlf s VAL 27 Ca 0.12 -0.15 -0.22 0.00 -1.81 0.00 0.00 61.98 59.91 1xlf s VAL 27 Cb 0.02 -3.31 -0.08 0.00 0.56 0.00 0.00 36.38 33.57 1xlf s VAL 27 CO -0.03 -0.31 1.07 0.00 -0.31 0.00 0.00 175.10 175.53 1xlf n ALA 28 N -2.61 0.52 0.24 1.32 0.00 -1.26 -4.27 120.51 114.44 1xlf n ALA 28 Ca 0.05 0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.69 1xlf n ALA 28 Cb 0.58 -2.15 0.04 0.00 0.00 0.00 0.00 19.45 17.92 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 -0.87 0.14 -4.07 0.00 -2.24 0.19 -4.89 114.28 102.54 1xlf n THR 29 Ca 0.10 -0.57 -0.10 0.00 -2.27 0.00 0.00 64.05 61.21 1xlf n THR 29 Cb 0.42 1.06 -0.11 0.00 -2.10 0.00 0.00 70.33 69.60 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 -0.64 0.56 0.42 -0.78 0.52 -0.79 -5.01 118.95 113.23 1xlf s ARG 30 Ca 0.09 -0.95 -0.24 0.00 -0.52 0.00 0.00 55.73 54.12 1xlf s ARG 30 Cb 0.06 -0.06 -0.08 0.00 0.52 0.00 0.00 34.95 35.39 1xlf s ARG 30 CO 0.09 -0.03 1.10 -1.59 0.02 0.00 0.00 175.30 174.89 1xlf s LYS 31 N -2.55 4.00 0.46 3.54 0.00 -1.26 -4.79 119.74 119.14 1xlf s LYS 31 Ca -0.03 1.62 -0.23 0.00 0.00 0.00 0.00 55.97 57.33 1xlf s LYS 31 Cb -0.03 -2.49 -0.09 0.00 0.00 0.00 0.00 37.83 35.22 1xlf s LYS 31 CO -0.03 -0.31 1.09 0.09 0.00 0.00 0.00 175.35 176.19 1xlf n ASN 32 N -0.23 1.60 -4.70 0.03 4.13 -1.26 -4.91 115.26 109.93 1xlf n ASN 32 Ca 0.06 1.01 -0.35 0.00 1.68 0.00 0.00 54.58 56.98 1xlf n ASN 32 Cb 0.49 -1.41 -0.09 0.00 -1.54 0.00 0.00 39.78 37.23 1xlf n ASN 32 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1xlf s LEU 33 N -1.26 4.09 0.21 3.41 2.96 -1.26 -5.07 118.68 121.76 1xlf s LEU 33 Ca 0.65 0.18 -0.30 0.00 -0.22 0.00 0.00 54.13 54.44 1xlf s LEU 33 Cb -0.51 -2.05 -0.08 0.00 0.50 0.00 0.00 46.19 44.04 1xlf s LEU 33 CO 0.55 0.17 1.17 -0.62 -1.32 0.00 0.00 176.35 176.31 1xlf s ASP 34 N 0.41 7.12 0.32 3.68 -1.08 -1.26 -4.93 116.67 120.93 1xlf s ASP 34 Ca 0.07 2.26 0.04 0.00 -0.52 0.00 0.00 52.55 54.39 1xlf s ASP 34 Cb -0.12 -2.61 0.55 0.00 -1.46 0.00 0.00 42.92 39.28 1xlf s ASP 34 CO -0.01 -0.32 1.83 1.55 0.52 0.00 0.00 175.17 178.74 1xlf h PRO 35 N 4.81 0.50 -0.49 4.34 0.13 -1.97 -1.41 132.00 137.89 1xlf h PRO 35 Ca -0.45 -0.13 -0.13 0.00 -0.87 0.00 0.00 66.00 64.42 1xlf h PRO 35 Cb 1.21 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1xlf h PRO 35 CO 0.72 0.59 -0.20 0.28 -0.23 0.00 0.00 178.00 179.16 1xlf h VAL 36 N 0.47 1.27 -0.88 1.56 2.07 -1.91 -1.78 116.25 117.04 1xlf h VAL 36 Ca 0.09 -1.37 0.03 0.00 0.82 0.00 0.00 66.70 66.27 1xlf h VAL 36 Cb 0.44 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 1xlf h VAL 36 CO 0.02 0.48 0.57 -0.08 0.02 0.00 0.00 177.57 178.58 1xlf h GLU 37 N 0.87 1.08 -0.09 1.57 4.81 -1.88 -2.22 114.58 118.72 1xlf h GLU 37 Ca 0.11 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1xlf h GLU 37 Cb 0.78 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1xlf h GLU 37 CO 0.07 0.71 0.00 0.00 -0.73 0.00 0.00 179.01 179.06 1xlf h ALA 38 N 1.36 0.07 -0.09 2.92 0.00 -1.07 0.19 119.26 122.65 1xlf h ALA 38 Ca 0.35 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1xlf h ALA 38 Cb -0.01 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xlf h ALA 38 CO -0.11 -0.47 0.06 0.28 0.00 0.00 0.00 179.25 179.01 1xlf h VAL 39 N 0.03 1.02 0.61 0.00 2.07 -0.98 -1.14 116.25 117.86 1xlf h VAL 39 Ca 0.04 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1xlf h VAL 39 Cb 0.04 0.89 0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1xlf h VAL 39 CO -0.07 0.02 -0.29 0.45 0.02 0.00 0.00 177.57 177.70 1xlf h HIS 40 N 0.12 -0.76 -0.47 1.57 -0.00 -1.10 -1.36 115.15 113.15 1xlf h HIS 40 Ca 0.03 -0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.45 1xlf h HIS 40 Cb -0.01 0.25 -0.06 0.00 -0.00 0.00 0.00 27.41 27.59 1xlf h HIS 40 CO -0.07 -0.45 0.14 -0.22 -0.00 0.00 0.00 177.93 177.33 1xlf h LYS 41 N -0.89 0.29 -0.29 2.45 1.63 -0.58 -0.92 116.57 118.26 1xlf h LYS 41 Ca -0.08 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1xlf h LYS 41 Cb 0.66 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1xlf h LYS 41 CO 0.14 0.19 0.19 -0.07 -3.45 0.00 0.00 179.45 176.45 1xlf h LEU 42 N 0.30 0.34 -0.60 5.20 3.38 -1.12 -2.01 115.31 120.81 1xlf h LEU 42 Ca 0.23 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1xlf h LEU 42 Cb 0.26 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1xlf h LEU 42 CO -0.25 0.25 0.31 0.00 0.09 0.00 0.00 178.44 178.83 1xlf h ALA 43 N 1.10 0.77 -0.46 1.53 0.00 -1.00 -1.57 119.26 119.64 1xlf h ALA 43 Ca 0.11 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xlf h ALA 43 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1xlf h ALA 43 CO -0.02 0.30 0.30 0.93 0.00 0.00 0.00 179.25 180.76 1xlf h GLU 44 N 0.81 0.59 0.00 0.00 5.08 -0.71 -2.07 114.58 118.28 1xlf h GLU 44 Ca 0.21 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1xlf h GLU 44 Cb 0.07 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1xlf h GLU 44 CO -0.03 0.39 0.00 1.28 -1.00 0.00 0.00 179.01 179.65 1xlf n LEU 45 N -4.47 0.11 0.00 1.33 4.77 -0.64 -4.92 117.00 113.18 1xlf n LEU 45 Ca 0.04 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1xlf n LEU 45 Cb 0.07 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1xlf n LEU 45 CO 0.35 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1xlf n GLY 46 N 1.12 1.10 3.77 -0.72 0.00 -0.78 -4.78 105.19 104.90 1xlf n GLY 46 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 2.36 -0.14 4.61 0.00 -0.93 -3.60 121.76 122.06 1xlf s ALA 47 Ca 0.00 0.39 0.15 0.00 0.00 0.00 0.00 51.96 52.49 1xlf s ALA 47 Cb 0.00 -3.29 -0.24 0.00 0.00 0.00 0.00 23.12 19.59 1xlf s ALA 47 CO 0.00 -1.54 0.29 0.98 0.00 0.00 0.00 175.76 175.50 1xlf n TYR 48 N -3.02 0.42 -3.83 0.00 9.36 0.13 -4.64 117.16 115.57 1xlf n TYR 48 Ca 0.10 0.15 -0.07 0.00 3.32 0.00 0.00 57.90 61.40 1xlf n TYR 48 Cb 0.53 -1.08 -0.00 0.00 -0.63 0.00 0.00 39.34 38.16 1xlf n TYR 48 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1xlf s GLY 49 N -5.39 0.04 0.04 2.98 0.00 -1.21 -2.35 107.32 101.44 1xlf s GLY 49 Ca -0.09 -0.37 0.02 0.00 0.00 0.00 0.00 44.72 44.28 1xlf s GLY 49 CO 0.82 0.09 -0.07 -1.50 0.00 0.00 0.00 173.10 172.44 1xlf s ILE 50 N -3.16 0.49 0.32 0.90 2.07 -0.55 -3.14 121.20 118.11 1xlf s ILE 50 Ca 0.14 -1.00 0.07 0.00 -1.41 0.00 0.00 60.65 58.45 1xlf s ILE 50 Cb -0.05 -0.55 -0.06 0.00 0.13 0.00 0.00 42.46 41.93 1xlf s ILE 50 CO 0.07 -0.36 -0.05 0.42 -1.91 0.00 0.00 174.94 173.11 1xlf s THR 51 N -1.30 1.85 0.14 4.00 -4.23 -0.91 -3.89 115.64 111.29 1xlf s THR 51 Ca -0.10 -2.13 -0.24 0.00 -1.18 0.00 0.00 61.69 58.04 1xlf s THR 51 Cb -0.09 -2.61 0.07 0.00 1.34 0.00 0.00 72.50 71.21 1xlf s THR 51 CO 0.00 -0.21 0.73 0.72 -0.54 0.00 0.00 174.62 175.32 1xlf s PHE 52 N -2.87 -0.39 -0.09 3.99 -0.12 -1.24 -0.89 117.98 116.37 1xlf s PHE 52 Ca 0.32 0.14 -0.07 0.00 -0.05 0.00 0.00 56.93 57.27 1xlf s PHE 52 Cb 0.04 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.98 1xlf s PHE 52 CO 0.14 -0.84 0.18 -1.01 -0.05 0.00 0.00 175.22 173.64 1xlf s HIS 53 N -3.57 3.61 0.20 3.49 3.76 -1.26 -0.97 115.29 120.55 1xlf s HIS 53 Ca 0.05 0.56 -0.23 0.00 -0.15 0.00 0.00 55.06 55.29 1xlf s HIS 53 Cb -0.02 -1.97 0.11 0.00 1.11 0.00 0.00 32.58 31.81 1xlf s HIS 53 CO -0.07 0.71 1.55 0.38 -0.85 0.00 0.00 174.74 176.46 1xlf h ASP 54 N 4.78 -1.73 0.47 1.40 2.03 -1.68 0.32 116.42 122.01 1xlf h ASP 54 Ca -0.54 0.32 0.00 0.00 -0.73 0.00 0.00 57.03 56.08 1xlf h ASP 54 Cb 1.22 0.84 0.00 0.00 -0.83 0.00 0.00 39.33 40.56 1xlf h ASP 54 CO 0.60 -0.27 0.00 0.59 -1.03 0.00 0.00 179.24 179.13 1xlf n ASN 55 N -5.38 0.00 -0.07 4.15 5.03 -1.24 0.22 115.26 117.97 1xlf n ASN 55 Ca 0.07 0.23 -0.14 0.00 0.87 0.00 0.00 54.58 55.61 1xlf n ASN 55 Cb 0.34 -0.38 -0.06 0.00 -1.02 0.00 0.00 39.78 38.66 1xlf n ASN 55 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 1xlf h ASP 56 N 0.00 0.72 0.00 6.41 3.32 -0.76 -3.36 116.42 122.75 1xlf h ASP 56 Ca 0.00 -0.53 -0.30 0.00 0.02 0.00 0.00 57.03 56.22 1xlf h ASP 56 Cb 0.24 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 1xlf h ASP 56 CO 0.00 1.11 -1.76 -0.11 -1.72 0.00 0.00 179.24 176.76 1xlf n LEU 57 N -4.24 1.91 -4.36 1.55 7.94 -0.69 -4.92 117.00 114.18 1xlf n LEU 57 Ca -0.05 0.39 -0.37 0.00 -1.11 0.00 0.00 56.01 54.88 1xlf n LEU 57 Cb 0.52 -0.88 -0.13 0.00 0.53 0.00 0.00 43.42 43.47 1xlf n LEU 57 CO 0.46 0.31 -0.29 -0.63 -1.11 0.00 0.00 177.39 176.12 1xlf s ILE 58 N -2.46 3.95 0.52 1.96 1.01 0.13 -5.03 121.20 121.29 1xlf s ILE 58 Ca -0.32 -0.53 -0.20 0.00 0.00 0.00 0.00 60.65 59.60 1xlf s ILE 58 Cb 0.09 -2.95 -0.09 0.00 0.01 0.00 0.00 42.46 39.52 1xlf s ILE 58 CO 0.51 0.20 0.71 -2.65 0.00 0.00 0.00 174.94 173.71 1xlf n PRO 59 N 4.87 0.76 -0.27 2.79 -0.02 -1.26 -3.66 135.00 138.21 1xlf n PRO 59 Ca -0.16 0.29 0.22 0.00 -2.02 0.00 0.00 63.50 61.83 1xlf n PRO 59 Cb 0.49 -1.82 0.54 0.00 -0.02 0.00 0.00 33.50 32.69 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 0.50 0.00 6.00 3.57 -1.95 -2.24 116.94 123.46 1xlf h PHE 60 Ca -0.45 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1xlf h PHE 60 Cb 1.38 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1xlf h PHE 60 CO 0.36 0.10 -0.82 0.22 -2.23 0.00 0.00 178.31 175.93 1xlf h ASP 61 N 0.34 0.00 -2.76 0.41 3.58 -2.02 -3.50 116.42 112.48 1xlf h ASP 61 Ca 0.51 -0.16 -0.59 0.00 0.42 0.00 0.00 57.03 57.21 1xlf h ASP 61 Cb 1.40 0.00 0.12 0.00 1.72 0.00 0.00 39.33 42.57 1xlf h ASP 61 CO -0.19 0.08 0.13 0.00 -2.88 0.00 0.00 179.24 176.38 1xlf n ALA 62 N -1.95 -0.05 -1.92 -0.78 0.00 -0.85 -4.99 120.51 109.96 1xlf n ALA 62 Ca 0.02 0.30 -0.29 0.00 0.00 0.00 0.00 53.44 53.47 1xlf n ALA 62 Cb 0.48 -2.04 0.14 0.00 0.00 0.00 0.00 19.45 18.03 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 -1.19 2.02 0.26 0.00 -4.23 -1.26 -4.87 115.64 106.38 1xlf s THR 63 Ca 0.61 -0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 61.04 1xlf s THR 63 Cb -0.62 -2.98 0.22 0.00 1.34 0.00 0.00 72.50 70.45 1xlf s THR 63 CO 0.59 0.00 1.89 1.05 -0.54 0.00 0.00 174.62 177.61 1xlf h GLU 64 N -1.34 1.13 -0.13 3.99 9.09 -2.01 -2.06 114.58 123.26 1xlf h GLU 64 Ca -0.45 -0.12 -0.00 0.00 0.05 0.00 0.00 59.36 58.83 1xlf h GLU 64 Cb 1.27 -0.23 -0.01 0.00 -1.65 0.00 0.00 28.75 28.14 1xlf h GLU 64 CO 0.49 0.82 0.06 0.00 0.05 0.00 0.00 179.01 180.44 1xlf h ALA 65 N 1.36 0.17 -0.75 1.06 0.00 -2.00 -2.76 119.26 116.33 1xlf h ALA 65 Ca 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1xlf h ALA 65 Cb 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1xlf h ALA 65 CO -0.05 -0.27 0.38 0.93 0.00 0.00 0.00 179.25 180.24 1xlf h GLU 66 N 0.08 1.06 -0.26 0.00 5.08 -1.78 -1.71 114.58 117.05 1xlf h GLU 66 Ca 0.04 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1xlf h GLU 66 Cb 0.12 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1xlf h GLU 66 CO -0.01 0.80 0.10 -0.09 -1.00 0.00 0.00 179.01 178.82 1xlf h ARG 67 N 1.06 0.22 -0.44 2.33 2.43 -1.24 -0.03 114.38 118.71 1xlf h ARG 67 Ca 0.26 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.32 1xlf h ARG 67 Cb 0.07 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1xlf h ARG 67 CO -0.04 0.15 -0.14 0.93 -1.51 0.00 0.00 179.97 179.36 1xlf h GLU 68 N 0.23 0.82 0.54 0.20 4.39 -1.20 0.27 114.58 119.83 1xlf h GLU 68 Ca 0.11 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 1xlf h GLU 68 Cb 0.07 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1xlf h GLU 68 CO -0.10 0.91 -0.26 -0.22 -1.16 0.00 0.00 179.01 178.18 1xlf h LYS 69 N 0.73 -0.70 0.14 2.33 3.64 -1.05 -1.57 116.57 120.09 1xlf h LYS 69 Ca 0.12 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1xlf h LYS 69 Cb 0.64 0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.58 1xlf h LYS 69 CO 0.04 -0.44 -0.32 0.82 -2.27 0.00 0.00 179.45 177.28 1xlf h ILE 70 N -0.77 0.32 -0.73 2.00 2.04 -0.78 -2.51 117.51 117.08 1xlf h ILE 70 Ca -0.07 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1xlf h ILE 70 Cb 0.58 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 1xlf h ILE 70 CO 0.12 0.00 0.48 -0.07 0.00 0.00 0.00 178.15 178.68 1xlf h LEU 71 N -0.55 0.62 0.06 1.44 3.38 -0.43 -1.91 115.31 117.92 1xlf h LEU 71 Ca 0.03 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xlf h LEU 71 Cb 0.58 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1xlf h LEU 71 CO -0.18 0.39 -0.03 1.23 0.09 0.00 0.00 178.44 179.94 1xlf h GLY 72 N 0.70 -0.09 1.48 0.83 0.00 -0.84 0.57 103.07 105.71 1xlf h GLY 72 Ca 0.32 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.63 1xlf h GLY 72 CO -0.11 -0.03 0.01 -0.55 0.00 0.00 0.00 176.54 175.86 1xlf h ASP 73 N -0.14 0.61 0.26 0.19 3.32 -1.31 -2.24 116.42 117.11 1xlf h ASP 73 Ca -0.01 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1xlf h ASP 73 Cb 0.12 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1xlf h ASP 73 CO 0.01 0.67 -0.12 0.15 -1.72 0.00 0.00 179.24 178.23 1xlf h PHE 74 N 0.62 -0.32 0.00 4.55 3.57 -1.03 -2.81 116.94 121.52 1xlf h PHE 74 Ca 0.13 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1xlf h PHE 74 Cb 0.37 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 1xlf h PHE 74 CO 0.02 0.04 -0.06 -0.91 -2.23 0.00 0.00 178.31 175.17 1xlf h ASN 75 N -0.77 0.00 -0.08 0.41 4.21 0.31 -2.86 115.58 116.80 1xlf h ASN 75 Ca -0.04 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.46 1xlf h ASN 75 Cb 0.50 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.70 1xlf h ASN 75 CO 0.06 0.06 -0.02 -0.61 -1.29 0.00 0.00 177.43 175.63 1xlf h GLN 76 N 0.00 0.15 -0.62 0.81 5.75 -1.44 -1.75 115.11 118.01 1xlf h GLN 76 Ca -0.00 -0.06 0.07 0.00 -0.15 0.00 0.00 58.65 58.51 1xlf h GLN 76 Cb 0.11 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.59 1xlf h GLN 76 CO 0.01 0.49 0.30 0.00 -2.65 0.00 0.00 178.83 176.98 1xlf h ALA 77 N 0.66 0.82 0.03 3.38 0.00 -1.33 1.01 119.26 123.83 1xlf h ALA 77 Ca 0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xlf h ALA 77 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xlf h ALA 77 CO 0.01 -0.08 -0.01 -0.07 0.00 0.00 0.00 179.25 179.09 1xlf h LEU 78 N 0.54 -0.03 0.88 0.00 3.38 -1.54 -0.55 115.31 117.98 1xlf h LEU 78 Ca 0.30 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1xlf h LEU 78 Cb 0.28 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1xlf h LEU 78 CO -0.24 0.08 -0.46 0.11 0.09 0.00 0.00 178.44 178.03 1xlf h LYS 79 N -0.15 -1.18 -1.09 1.13 1.57 -0.27 0.92 116.57 117.50 1xlf h LYS 79 Ca -0.00 0.08 0.30 0.00 -1.87 0.00 0.00 60.65 59.15 1xlf h LYS 79 Cb 0.14 0.27 -0.09 0.00 0.08 0.00 0.00 32.23 32.62 1xlf h LYS 79 CO 0.01 -0.79 0.71 -0.44 -0.57 0.00 0.00 179.45 178.37 1xlf h ASP 80 N -1.23 0.37 0.00 0.86 5.19 0.12 -2.88 116.42 118.85 1xlf h ASP 80 Ca -0.12 0.08 -0.25 0.00 -0.62 0.00 0.00 57.03 56.12 1xlf h ASP 80 Cb 0.95 0.03 -0.05 0.00 0.18 0.00 0.00 39.33 40.44 1xlf h ASP 80 CO 0.17 0.04 -2.20 0.35 -3.12 0.00 0.00 179.24 174.49 1xlf n THR 81 N -4.59 0.94 -0.57 0.35 -2.24 -0.23 -5.02 114.28 102.92 1xlf n THR 81 Ca 0.27 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1xlf n THR 81 Cb 0.99 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 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 1.69 0.75 3.76 3.38 0.00 0.31 -5.03 105.19 110.06 1xlf n GLY 82 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 4.44 0.61 0.99 1.43 -1.17 -4.98 118.68 120.00 1xlf s LEU 83 Ca 0.00 2.60 -0.00 0.00 -1.03 0.00 0.00 54.13 55.70 1xlf s LEU 83 Cb 0.00 -3.64 0.06 0.00 0.03 0.00 0.00 46.19 42.64 1xlf s LEU 83 CO 0.00 -0.49 0.85 -0.54 0.23 0.00 0.00 176.35 176.40 1xlf s LYS 84 N -1.44 2.30 -0.57 1.70 -0.14 -0.99 -4.83 119.74 115.78 1xlf s LYS 84 Ca 0.50 -0.80 0.04 0.00 -1.36 0.00 0.00 55.97 54.35 1xlf s LYS 84 Cb -0.38 -2.42 0.16 0.00 -1.68 0.00 0.00 37.83 33.50 1xlf s LYS 84 CO 0.49 -0.94 0.37 0.08 -0.76 0.00 0.00 175.35 174.59 1xlf s VAL 85 N -2.90 2.08 -0.06 3.17 1.01 -1.26 -1.49 120.40 120.95 1xlf s VAL 85 Ca 0.60 -3.46 0.19 0.00 0.00 0.00 0.00 61.98 59.31 1xlf s VAL 85 Cb -0.09 -2.40 0.16 0.00 0.00 0.00 0.00 36.38 34.04 1xlf s VAL 85 CO 0.40 -0.99 1.62 -0.65 0.00 0.00 0.00 175.10 175.49 1xlf h PRO 86 N 5.92 0.00 -3.53 2.72 0.11 -1.87 -2.76 132.00 132.60 1xlf h PRO 86 Ca 0.09 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.04 1xlf h PRO 86 Cb 0.84 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 31.73 1xlf h PRO 86 CO 0.60 0.34 -0.54 1.41 -0.21 0.00 0.00 178.00 179.61 1xlf s MET 87 N -3.28 0.36 0.07 1.05 -2.45 -1.26 -1.96 119.30 111.82 1xlf s MET 87 Ca 0.03 -0.23 0.05 0.00 -1.25 0.00 0.00 55.69 54.29 1xlf s MET 87 Cb 0.08 0.15 -0.03 0.00 1.25 0.00 0.00 34.83 36.29 1xlf s MET 87 CO 0.69 -0.08 -0.15 0.08 1.05 0.00 0.00 175.02 176.62 1xlf s VAL 88 N -0.93 1.16 0.16 10.11 1.01 -0.68 -3.70 120.40 127.53 1xlf s VAL 88 Ca -0.10 -1.26 -0.02 0.00 0.00 0.00 0.00 61.98 60.59 1xlf s VAL 88 Cb -0.06 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1xlf s VAL 88 CO 0.01 -0.16 0.12 0.28 0.00 0.00 0.00 175.10 175.34 1xlf s THR 89 N -1.18 0.07 -0.06 3.92 -1.32 -0.14 -1.77 115.64 115.15 1xlf s THR 89 Ca -0.01 -1.85 0.02 0.00 -1.21 0.00 0.00 61.69 58.64 1xlf s THR 89 Cb -0.10 -2.14 -0.03 0.00 -1.51 0.00 0.00 72.50 68.72 1xlf s THR 89 CO 0.02 -0.31 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.15 1xlf s THR 90 N -4.07 3.56 -0.45 5.08 2.01 -1.26 -1.70 115.64 118.81 1xlf s THR 90 Ca 0.27 -0.54 -0.25 0.00 0.31 0.00 0.00 61.69 61.47 1xlf s THR 90 Cb 0.07 -2.44 0.03 0.00 0.01 0.00 0.00 72.50 70.16 1xlf s THR 90 CO 0.04 0.59 0.92 0.21 -0.69 0.00 0.00 174.62 175.70 1xlf s ASN 91 N -0.81 6.52 -0.26 3.53 3.84 -1.26 -4.84 114.94 121.66 1xlf s ASN 91 Ca 0.12 0.17 0.11 0.00 0.21 0.00 0.00 52.86 53.47 1xlf s ASN 91 Cb -0.11 -2.45 0.46 0.00 -0.55 0.00 0.00 41.25 38.60 1xlf s ASN 91 CO 0.01 -1.03 1.18 0.18 -2.79 0.00 0.00 177.10 174.66 1xlf n LEU 92 N 7.12 3.83 0.00 3.21 4.77 -1.26 -4.72 117.00 129.95 1xlf n LEU 92 Ca 0.06 -4.21 0.00 0.00 -0.03 0.00 0.00 56.01 51.83 1xlf n LEU 92 Cb 0.48 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1xlf n LEU 92 CO 0.63 1.74 0.00 2.22 -1.33 0.00 0.00 177.39 180.66 1xlf n PHE 93 N -0.72 0.00 0.01 -1.77 1.16 -1.26 -4.44 117.46 110.44 1xlf n PHE 93 Ca 0.32 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.70 1xlf n PHE 93 Cb 0.90 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.63 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 -3.98 5.98 0.02 -1.93 -3.46 113.55 110.58 1xlf h SER 94 Ca 0.00 -0.85 -0.53 0.00 -0.84 0.00 0.00 61.79 59.57 1xlf h SER 94 Cb 0.00 -0.13 0.09 0.00 0.14 0.00 0.00 62.40 62.50 1xlf h SER 94 CO 0.00 1.76 0.60 -2.28 -1.14 0.00 0.00 176.83 175.76 1xlf s HIS 95 N -2.57 2.69 0.63 3.45 5.65 -1.26 -4.90 115.29 118.98 1xlf s HIS 95 Ca -0.19 1.41 0.29 0.00 0.25 0.00 0.00 55.06 56.82 1xlf s HIS 95 Cb 0.07 -3.66 1.53 0.00 -1.18 0.00 0.00 32.58 29.34 1xlf s HIS 95 CO 0.79 -2.22 1.90 -1.35 -0.65 0.00 0.00 174.74 173.21 1xlf h PRO 96 N 2.29 0.00 0.00 2.88 0.11 -2.03 -2.46 132.00 132.79 1xlf h PRO 96 Ca -0.50 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1xlf h PRO 96 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1xlf h PRO 96 CO 0.61 0.00 -0.12 -0.24 -0.21 0.00 0.00 178.00 178.04 1xlf h VAL 97 N 0.00 0.50 -0.36 3.15 3.04 -1.97 -2.71 116.25 117.89 1xlf h VAL 97 Ca 0.09 -0.58 -0.03 0.00 -1.01 0.00 0.00 66.70 65.17 1xlf h VAL 97 Cb 0.90 1.39 -0.02 0.00 -2.01 0.00 0.00 31.29 31.55 1xlf h VAL 97 CO -0.00 0.12 0.04 0.49 -1.01 0.00 0.00 177.57 177.20 1xlf n PHE 98 N -3.54 1.29 0.31 3.17 3.72 -0.93 -4.60 117.46 116.89 1xlf n PHE 98 Ca -0.01 -0.51 0.16 0.00 -0.05 0.00 0.00 57.45 57.03 1xlf n PHE 98 Cb 0.26 -0.38 0.73 0.00 -0.94 0.00 0.00 39.48 39.15 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 2.18 0.00 -0.02 -1.08 2.10 -1.67 -1.60 116.57 116.47 1xlf h LYS 99 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1xlf h LYS 99 Cb 1.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.78 1xlf h LYS 99 CO 0.33 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.31 1xlf n ASP 100 N -2.71 1.88 0.00 7.07 2.03 -1.26 -5.06 116.55 118.49 1xlf n ASP 100 Ca -0.00 -1.81 0.00 0.00 0.52 0.00 0.00 54.79 53.50 1xlf n ASP 100 Cb 0.19 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 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 -0.32 0.88 0.00 0.27 0.00 -0.60 -3.62 105.19 101.79 1xlf n GLY 101 Ca 0.01 -2.32 0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.95 0.14 0.41 -0.02 0.00 -1.26 -4.38 105.19 99.13 1xlf n GLY 102 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.27 1.61 -1.00 -1.88 -2.56 116.94 113.19 1xlf h PHE 103 Ca 0.00 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1xlf h PHE 103 Cb 0.00 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.45 1xlf h PHE 103 CO 0.00 0.10 0.00 0.25 -1.61 0.00 0.00 178.31 177.05 1xlf n THR 104 N -4.44 1.79 -1.62 -1.55 -2.24 -1.26 -4.44 114.28 100.52 1xlf n THR 104 Ca 0.18 -1.57 -0.45 0.00 -2.27 0.00 0.00 64.05 59.93 1xlf n THR 104 Cb 0.74 0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 1xlf n THR 104 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1xlf n SER 105 N -0.20 1.89 0.06 3.42 2.88 -0.96 -4.85 113.62 115.86 1xlf n SER 105 Ca 0.17 1.16 0.01 0.00 -1.33 0.00 0.00 58.87 58.88 1xlf n SER 105 Cb 0.70 -1.33 0.34 0.00 -0.75 0.00 0.00 64.21 63.17 1xlf n SER 105 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1xlf h ASN 106 N 3.05 0.35 -3.02 -3.46 2.35 -1.92 -3.41 115.58 109.53 1xlf h ASN 106 Ca -0.43 -0.07 -0.57 0.00 -0.55 0.00 0.00 56.30 54.68 1xlf h ASN 106 Cb 1.32 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 39.55 1xlf h ASN 106 CO 0.68 0.48 1.02 -0.62 -1.65 0.00 0.00 177.43 177.34 1xlf s ASP 107 N -6.82 6.58 0.31 5.81 -1.08 -1.26 -4.95 116.67 115.26 1xlf s ASP 107 Ca -0.06 1.35 -0.01 0.00 -0.52 0.00 0.00 52.55 53.31 1xlf s ASP 107 Cb 0.15 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.56 1xlf s ASP 107 CO 0.75 -1.13 1.96 -0.09 0.52 0.00 0.00 175.17 177.19 1xlf h ARG 108 N 9.72 1.04 0.00 4.34 2.43 -2.00 -1.54 114.38 128.38 1xlf h ARG 108 Ca -0.29 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 58.74 1xlf h ARG 108 Cb 1.12 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1xlf h ARG 108 CO 1.02 0.69 -0.38 0.66 -1.51 0.00 0.00 179.97 180.45 1xlf h SER 109 N 1.07 0.00 0.16 -3.80 4.64 -1.95 -2.25 113.55 111.42 1xlf h SER 109 Ca 0.31 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.38 1xlf h SER 109 Cb -0.07 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1xlf h SER 109 CO -0.08 0.38 -0.99 0.40 -0.87 0.00 0.00 176.83 175.67 1xlf h ILE 110 N 0.00 1.34 -0.71 0.95 2.04 -1.82 -2.31 117.51 116.99 1xlf h ILE 110 Ca -0.00 -2.34 0.01 0.00 1.00 0.00 0.00 64.86 63.53 1xlf h ILE 110 Cb 0.91 2.39 -0.04 0.00 -0.74 0.00 0.00 36.82 39.34 1xlf h ILE 110 CO 0.05 0.71 0.46 0.03 0.00 0.00 0.00 178.15 179.40 1xlf h ARG 111 N 0.32 0.90 -0.40 2.37 3.08 -0.77 0.29 114.38 120.17 1xlf h ARG 111 Ca -0.11 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 1xlf h ARG 111 Cb 1.64 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.47 1xlf h ARG 111 CO 0.19 0.60 -0.02 0.00 -1.07 0.00 0.00 179.97 179.66 1xlf h ARG 112 N 0.93 0.73 -0.45 0.04 3.08 -1.47 -2.09 114.38 115.15 1xlf h ARG 112 Ca 0.27 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1xlf h ARG 112 Cb -0.07 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1xlf h ARG 112 CO -0.07 0.82 0.14 0.35 -1.07 0.00 0.00 179.97 180.15 1xlf h PHE 113 N 0.55 0.73 -0.75 3.04 3.57 -0.90 -0.73 116.94 122.45 1xlf h PHE 113 Ca 0.11 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1xlf h PHE 113 Cb 0.51 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1xlf h PHE 113 CO 0.04 0.65 0.40 0.00 -2.23 0.00 0.00 178.31 177.17 1xlf h ALA 114 N 1.00 0.96 -0.28 2.41 0.00 -0.31 -1.37 119.26 121.67 1xlf h ALA 114 Ca 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xlf h ALA 114 Cb 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1xlf h ALA 114 CO -0.00 0.48 0.13 1.25 0.00 0.00 0.00 179.25 181.10 1xlf h LEU 115 N 1.04 0.36 -0.76 0.00 5.85 -1.25 -1.81 115.31 118.75 1xlf h LEU 115 Ca 0.26 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 1xlf h LEU 115 Cb 0.05 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1xlf h LEU 115 CO -0.04 0.40 0.06 0.00 -0.34 0.00 0.00 178.44 178.52 1xlf h ALA 116 N 0.98 0.97 -0.64 1.25 0.00 -0.92 0.07 119.26 120.97 1xlf h ALA 116 Ca 0.09 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1xlf h ALA 116 Cb 0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1xlf h ALA 116 CO -0.01 0.64 0.35 -0.22 0.00 0.00 0.00 179.25 180.01 1xlf h LYS 117 N 0.94 0.63 -0.13 0.00 3.64 -1.06 -2.56 116.57 118.02 1xlf h LYS 117 Ca 0.18 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1xlf h LYS 117 Cb 0.46 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1xlf h LYS 117 CO 0.02 0.41 0.03 0.28 -2.27 0.00 0.00 179.45 177.92 1xlf h VAL 118 N 0.64 1.21 -0.20 2.00 2.07 -0.46 -2.68 116.25 118.82 1xlf h VAL 118 Ca 0.29 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.20 1xlf h VAL 118 Cb 0.19 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1xlf h VAL 118 CO -0.18 0.19 -0.01 -0.07 0.02 0.00 0.00 177.57 177.52 1xlf h LEU 119 N 0.01 -0.10 -0.96 2.57 3.38 -0.81 -0.04 115.31 119.36 1xlf h LEU 119 Ca 0.04 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1xlf h LEU 119 Cb 0.27 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1xlf h LEU 119 CO 0.00 -0.02 0.46 0.45 0.09 0.00 0.00 178.44 179.42 1xlf h HIS 120 N 0.05 1.18 -0.27 1.13 3.86 -1.50 -2.41 115.15 117.19 1xlf h HIS 120 Ca 0.10 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 1xlf h HIS 120 Cb 0.13 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.21 1xlf h HIS 120 CO -0.19 0.82 -0.14 -0.97 0.86 0.00 0.00 177.93 178.31 1xlf h ASN 121 N 1.20 0.44 -0.84 2.45 -1.24 -1.09 -1.94 115.58 114.55 1xlf h ASN 121 Ca 0.30 -0.12 0.00 0.00 0.71 0.00 0.00 56.30 57.20 1xlf h ASN 121 Cb 0.04 -0.12 -0.04 0.00 0.73 0.00 0.00 38.32 38.93 1xlf h ASN 121 CO -0.05 0.61 0.54 0.40 -1.29 0.00 0.00 177.43 177.65 1xlf h ILE 122 N 0.42 1.22 -0.32 2.57 2.04 -0.50 0.96 117.51 123.90 1xlf h ILE 122 Ca 0.08 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1xlf h ILE 122 Cb 0.50 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1xlf h ILE 122 CO 0.03 0.22 0.19 0.44 0.00 0.00 0.00 178.15 179.03 1xlf h ASP 123 N 1.15 0.40 -0.55 1.72 3.32 -1.24 -1.64 116.42 119.59 1xlf h ASP 123 Ca 0.31 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 1xlf h ASP 123 Cb -0.10 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1xlf h ASP 123 CO -0.06 0.35 0.09 0.25 -1.72 0.00 0.00 179.24 178.14 1xlf h LEU 124 N 0.41 0.91 -0.07 1.55 5.85 -1.14 -2.15 115.31 120.66 1xlf h LEU 124 Ca 0.11 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.66 1xlf h LEU 124 Cb 0.04 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1xlf h LEU 124 CO -0.02 0.92 -0.08 0.00 -0.34 0.00 0.00 178.44 178.92 1xlf h ALA 125 N 1.19 -0.03 -0.02 1.25 0.00 -0.12 -1.11 119.26 120.43 1xlf h ALA 125 Ca 0.18 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1xlf h ALA 125 Cb 0.41 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1xlf h ALA 125 CO 0.01 -0.55 -0.09 0.00 0.00 0.00 0.00 179.25 178.62 1xlf h ALA 126 N 0.94 -0.08 -0.89 0.00 0.00 -1.24 -2.51 119.26 115.49 1xlf h ALA 126 Ca 0.06 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1xlf h ALA 126 Cb 0.18 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1xlf h ALA 126 CO -0.13 -0.58 0.57 1.49 0.00 0.00 0.00 179.25 180.60 1xlf h GLU 127 N -0.15 0.72 0.00 0.00 4.81 -0.98 -1.38 114.58 117.61 1xlf h GLU 127 Ca 0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xlf h GLU 127 Cb 0.20 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1xlf h GLU 127 CO -0.11 0.48 0.00 0.52 -0.73 0.00 0.00 179.01 179.17 1xlf h MET 128 N 0.75 0.00 0.00 1.92 2.86 -0.79 -3.47 114.93 116.20 1xlf h MET 128 Ca 0.44 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.08 1xlf h MET 128 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1xlf h MET 128 CO -0.20 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.18 1xlf n GLY 129 N 0.91 0.65 3.76 8.32 0.00 -0.52 -4.56 105.19 113.75 1xlf n GLY 129 Ca 0.04 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 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 3.00 -0.03 4.61 0.00 -1.04 -4.78 121.76 121.52 1xlf s ALA 130 Ca 0.00 1.22 0.16 0.00 0.00 0.00 0.00 51.96 53.33 1xlf s ALA 130 Cb 0.00 -3.50 -0.24 0.00 0.00 0.00 0.00 23.12 19.37 1xlf s ALA 130 CO 0.00 -1.04 0.33 0.39 0.00 0.00 0.00 175.76 175.43 1xlf n GLU 131 N -0.55 0.58 -4.72 0.00 -0.58 -0.83 -4.67 120.64 109.86 1xlf n GLU 131 Ca 0.08 -0.13 -0.24 0.00 -0.42 0.00 0.00 57.16 56.44 1xlf n GLU 131 Cb 0.45 -1.38 -0.16 0.00 -0.57 0.00 0.00 31.44 29.78 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 -3.05 1.25 -0.27 2.62 2.01 -1.12 -2.13 115.64 114.96 1xlf s THR 132 Ca -0.06 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 1xlf s THR 132 Cb 0.10 -1.08 0.04 0.00 0.01 0.00 0.00 72.50 71.57 1xlf s THR 132 CO 0.66 0.36 -0.04 0.12 -0.69 0.00 0.00 174.62 175.03 1xlf s PHE 133 N -0.01 3.14 0.07 4.92 5.36 0.31 -1.69 117.98 130.08 1xlf s PHE 133 Ca -0.02 -1.70 -0.11 0.00 -0.96 0.00 0.00 56.93 54.15 1xlf s PHE 133 Cb -0.10 -2.07 -0.06 0.00 -0.34 0.00 0.00 43.02 40.46 1xlf s PHE 133 CO 0.01 -0.76 0.40 0.08 -1.46 0.00 0.00 175.22 173.49 1xlf s VAL 134 N 1.29 5.08 -0.29 3.12 1.01 -0.73 -0.92 120.40 128.97 1xlf s VAL 134 Ca -0.02 0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1xlf s VAL 134 Cb -0.18 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.63 1xlf s VAL 134 CO -0.03 0.33 -0.00 -0.04 0.00 0.00 0.00 175.10 175.36 1xlf s MET 135 N -1.78 1.56 -0.38 2.72 -1.94 -0.62 -4.13 119.30 114.73 1xlf s MET 135 Ca 0.32 -1.41 -0.08 0.00 -1.71 0.00 0.00 55.69 52.81 1xlf s MET 135 Cb -0.14 -2.79 0.05 0.00 2.01 0.00 0.00 34.83 33.96 1xlf s MET 135 CO 0.17 -0.78 0.18 -0.46 -0.01 0.00 0.00 175.02 174.13 1xlf s TRP 136 N 1.18 3.29 -1.29 -0.03 -0.00 -1.26 -1.57 118.94 119.26 1xlf s TRP 136 Ca 0.02 -1.39 -0.08 0.00 -0.00 0.00 0.00 56.10 54.65 1xlf s TRP 136 Cb -0.19 -2.58 0.15 0.00 -0.00 0.00 0.00 33.47 30.86 1xlf s TRP 136 CO -0.09 -0.76 2.05 0.41 -0.00 0.00 0.00 176.95 178.56 1xlf n GLY 137 N 4.88 4.93 0.22 5.86 0.00 -1.26 -4.76 105.19 115.06 1xlf n GLY 137 Ca -0.11 -2.09 0.03 0.00 0.00 0.00 0.00 46.02 43.85 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 7.01 0.13 -2.05 -0.02 0.00 -1.91 -2.62 103.07 103.62 1xlf h GLY 138 Ca 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1xlf h GLY 138 CO 1.57 0.08 0.00 0.54 0.00 0.00 0.00 176.54 178.74 1xlf n ARG 139 N -4.25 2.36 -2.60 4.80 5.12 -1.26 -3.94 116.66 116.90 1xlf n ARG 139 Ca -0.01 -2.17 -0.42 0.00 -1.93 0.00 0.00 57.85 53.32 1xlf n ARG 139 Cb 0.30 -1.45 -0.03 0.00 -1.16 0.00 0.00 32.46 30.12 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 -1.33 3.37 0.00 5.56 0.41 -0.99 -3.37 118.70 122.36 1xlf s GLU 140 Ca 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 54.97 54.91 1xlf s GLU 140 Cb 0.20 -4.08 0.00 0.00 -1.78 0.00 0.00 34.13 28.47 1xlf s GLU 140 CO 0.28 -1.84 0.00 0.41 -0.49 0.00 0.00 175.26 173.62 1xlf n GLY 141 N 5.19 -0.59 3.63 -1.39 0.00 -1.26 -1.14 105.19 109.63 1xlf n GLY 141 Ca 0.06 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.17 1.61 1.04 -0.82 -4.99 113.70 106.03 1xlf s SER 142 Ca 0.00 -0.24 0.16 0.00 0.48 0.00 0.00 55.95 56.35 1xlf s SER 142 Cb 0.00 0.54 -0.22 0.00 0.10 0.00 0.00 66.02 66.44 1xlf s SER 142 CO 0.00 -0.94 0.08 -0.62 0.98 0.00 0.00 173.24 172.73 1xlf n GLU 143 N -0.39 1.06 -5.01 4.02 4.71 -1.26 -1.77 120.64 122.00 1xlf n GLU 143 Ca -0.09 -0.02 -0.32 0.00 -0.01 0.00 0.00 57.16 56.72 1xlf n GLU 143 Cb 0.62 -1.46 -0.14 0.00 -1.01 0.00 0.00 31.44 29.44 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 -2.47 2.61 0.28 -0.32 2.02 -1.26 -4.92 117.35 113.29 1xlf s TYR 144 Ca -0.09 -0.40 0.28 0.00 -0.37 0.00 0.00 57.07 56.49 1xlf s TYR 144 Cb 0.06 -1.64 1.28 0.00 -0.40 0.00 0.00 41.96 41.26 1xlf s TYR 144 CO 0.73 0.00 1.98 -0.44 -1.57 0.00 0.00 175.55 176.26 1xlf h ASP 145 N 5.74 0.00 -0.58 2.29 3.32 -1.98 -3.04 116.42 122.18 1xlf h ASP 145 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1xlf h ASP 145 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1xlf h ASP 145 CO 0.50 0.14 0.00 0.61 -1.72 0.00 0.00 179.24 178.77 1xlf n GLY 146 N -0.29 2.28 0.26 2.75 0.00 -1.26 -4.36 105.19 104.57 1xlf n GLY 146 Ca -0.01 -0.73 0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 3.59 0.00 -4.72 1.61 0.02 -1.97 -3.45 113.55 108.63 1xlf h SER 147 Ca 0.00 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.71 1xlf h SER 147 Cb 1.20 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.56 1xlf h SER 147 CO 0.16 0.09 -0.72 -0.54 -1.14 0.00 0.00 176.83 174.69 1xlf s LYS 148 N -3.73 0.66 -0.45 3.45 -0.14 -1.26 -5.04 119.74 113.22 1xlf s LYS 148 Ca 0.00 -1.02 -0.19 0.00 -1.36 0.00 0.00 55.97 53.40 1xlf s LYS 148 Cb 0.10 -0.23 0.03 0.00 -1.68 0.00 0.00 37.83 36.06 1xlf s LYS 148 CO 0.58 0.01 0.59 0.34 -0.76 0.00 0.00 175.35 176.11 1xlf s ASP 149 N -2.25 6.26 0.27 2.83 -1.08 -1.26 -4.97 116.67 116.47 1xlf s ASP 149 Ca -0.00 -0.60 -0.03 0.00 -0.52 0.00 0.00 52.55 51.40 1xlf s ASP 149 Cb -0.03 -2.29 0.35 0.00 -1.46 0.00 0.00 42.92 39.49 1xlf s ASP 149 CO -0.02 -0.76 1.87 -0.07 0.52 0.00 0.00 175.17 176.70 1xlf h LEU 150 N 9.54 0.94 -0.35 -1.34 3.38 -1.99 0.54 115.31 126.04 1xlf h LEU 150 Ca -0.26 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.51 1xlf h LEU 150 Cb 1.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1xlf h LEU 150 CO 0.89 0.80 -0.15 0.00 0.09 0.00 0.00 178.44 180.07 1xlf h ALA 151 N 1.35 0.49 -0.68 1.53 0.00 -2.00 -3.13 119.26 116.81 1xlf h ALA 151 Ca 0.25 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1xlf h ALA 151 Cb 0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1xlf h ALA 151 CO -0.03 0.39 0.24 0.00 0.00 0.00 0.00 179.25 179.85 1xlf h ALA 152 N 0.79 0.89 -1.00 0.00 0.00 -1.90 -1.26 119.26 116.79 1xlf h ALA 152 Ca 0.08 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1xlf h ALA 152 Cb 0.68 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1xlf h ALA 152 CO 0.05 0.55 0.65 0.00 0.00 0.00 0.00 179.25 180.49 1xlf h ALA 153 N 1.11 1.38 -0.18 0.00 0.00 -0.90 0.53 119.26 121.19 1xlf h ALA 153 Ca 0.22 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 1xlf h ALA 153 Cb 0.26 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xlf h ALA 153 CO -0.01 0.49 -0.64 -0.07 0.00 0.00 0.00 179.25 179.02 1xlf h LEU 154 N 1.21 0.76 -0.62 0.00 3.38 -1.42 0.03 115.31 118.66 1xlf h LEU 154 Ca 0.42 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1xlf h LEU 154 Cb 0.09 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1xlf h LEU 154 CO -0.15 1.21 0.30 0.44 0.09 0.00 0.00 178.44 180.33 1xlf h ASP 155 N 0.49 0.81 -0.53 -0.43 3.32 -0.52 -0.66 116.42 118.90 1xlf h ASP 155 Ca -0.01 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.80 1xlf h ASP 155 Cb 1.23 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 1xlf h ASP 155 CO 0.13 0.72 -0.05 0.03 -1.72 0.00 0.00 179.24 178.34 1xlf h ARG 156 N 0.85 0.99 -0.22 3.56 2.47 -0.82 0.95 114.38 122.17 1xlf h ARG 156 Ca 0.21 -0.33 -0.01 0.00 -1.26 0.00 0.00 59.98 58.59 1xlf h ARG 156 Cb 0.12 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 1xlf h ARG 156 CO -0.03 1.01 0.09 1.98 0.56 0.00 0.00 179.97 183.58 1xlf h MET 157 N 0.90 0.32 -0.73 0.04 4.05 -0.61 -2.59 114.93 116.31 1xlf h MET 157 Ca 0.15 -0.05 0.04 0.00 -0.28 0.00 0.00 59.70 59.56 1xlf h MET 157 Cb 0.60 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.29 1xlf h MET 157 CO 0.04 0.36 0.45 -0.09 0.23 0.00 0.00 176.91 177.90 1xlf h ARG 158 N 0.21 0.84 -0.60 0.39 2.43 -0.91 -1.96 114.38 114.78 1xlf h ARG 158 Ca 0.07 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1xlf h ARG 158 Cb 0.15 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1xlf h ARG 158 CO -0.01 0.56 0.24 1.49 -1.51 0.00 0.00 179.97 180.73 1xlf h GLU 159 N 0.86 0.90 0.38 0.20 4.81 -0.66 0.85 114.58 121.92 1xlf h GLU 159 Ca 0.30 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1xlf h GLU 159 Cb 0.07 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1xlf h GLU 159 CO -0.13 0.77 -0.18 0.78 -0.73 0.00 0.00 179.01 179.51 1xlf h GLY 160 N 0.83 -0.54 0.73 1.92 0.00 -1.11 -0.74 103.07 104.18 1xlf h GLY 160 Ca 0.20 0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.78 1xlf h GLY 160 CO -0.02 -0.20 0.34 -2.08 0.00 0.00 0.00 176.54 174.59 1xlf h VAL 161 N -0.64 0.99 -0.01 4.60 2.07 -1.31 -0.82 116.25 121.12 1xlf h VAL 161 Ca -0.05 -0.22 -0.13 0.00 0.82 0.00 0.00 66.70 67.11 1xlf h VAL 161 Cb 0.47 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1xlf h VAL 161 CO 0.09 0.12 -0.61 0.44 0.02 0.00 0.00 177.57 177.62 1xlf h ASP 162 N 0.65 0.05 -0.00 0.57 3.32 -0.81 -1.09 116.42 119.11 1xlf h ASP 162 Ca 0.27 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1xlf h ASP 162 Cb 0.13 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1xlf h ASP 162 CO -0.16 0.65 -0.00 0.74 -1.72 0.00 0.00 179.24 178.75 1xlf h THR 163 N 0.03 1.29 -0.93 0.35 2.02 -0.62 -1.36 112.91 113.70 1xlf h THR 163 Ca -0.01 -0.86 0.03 0.00 0.77 0.00 0.00 66.41 66.35 1xlf h THR 163 Cb 1.09 1.87 -0.05 0.00 -1.74 0.00 0.00 68.15 69.32 1xlf h THR 163 CO 0.08 0.22 0.61 0.00 0.37 0.00 0.00 175.52 176.80 1xlf h ALA 164 N 0.64 1.39 -0.15 6.16 0.00 -1.02 -1.53 119.26 124.75 1xlf h ALA 164 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1xlf h ALA 164 Cb 0.36 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xlf h ALA 164 CO 0.00 0.53 0.02 0.00 0.00 0.00 0.00 179.25 179.80 1xlf h ALA 165 N 1.45 0.21 -0.52 0.00 0.00 -1.13 -2.31 119.26 116.96 1xlf h ALA 165 Ca 0.36 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1xlf h ALA 165 Cb -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1xlf h ALA 165 CO -0.10 -0.13 0.14 0.78 0.00 0.00 0.00 179.25 179.94 1xlf h GLY 166 N 0.04 0.85 0.85 0.00 0.00 -1.05 -0.43 103.07 103.33 1xlf h GLY 166 Ca 0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1xlf h GLY 166 CO 0.00 0.44 0.05 -1.82 0.00 0.00 0.00 176.54 175.21 1xlf h TYR 167 N 0.77 0.21 -0.20 5.60 3.20 -1.15 0.20 116.97 125.60 1xlf h TYR 167 Ca 0.17 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.08 1xlf h TYR 167 Cb 0.26 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.40 1xlf h TYR 167 CO 0.01 0.32 -0.27 0.82 -1.64 0.00 0.00 178.16 177.40 1xlf h ILE 168 N 0.04 0.35 -0.16 1.81 2.04 -0.84 -1.64 117.51 119.12 1xlf h ILE 168 Ca 0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1xlf h ILE 168 Cb 0.20 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1xlf h ILE 168 CO -0.00 0.00 -0.12 0.11 0.00 0.00 0.00 178.15 178.14 1xlf h LYS 169 N -0.30 -0.12 -0.99 2.37 1.57 -0.94 -0.86 116.57 117.30 1xlf h LYS 169 Ca 0.12 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.02 1xlf h LYS 169 Cb 0.49 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.75 1xlf h LYS 169 CO -0.37 -0.08 0.63 -0.44 -0.57 0.00 0.00 179.45 178.61 1xlf h ASP 170 N -0.13 0.92 0.11 0.86 3.32 -0.10 -2.36 116.42 119.05 1xlf h ASP 170 Ca 0.10 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1xlf h ASP 170 Cb 0.27 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1xlf h ASP 170 CO -0.24 0.51 -0.18 0.29 -1.72 0.00 0.00 179.24 177.90 1xlf n LYS 171 N -4.58 1.26 -3.07 3.56 4.76 -0.66 -4.97 118.16 114.46 1xlf n LYS 171 Ca 0.18 -0.82 -0.22 0.00 -2.87 0.00 0.00 58.31 54.58 1xlf n LYS 171 Cb 0.32 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 32.07 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 1.30 -0.48 3.79 0.72 0.00 -0.38 -4.97 105.19 105.16 1xlf n GLY 172 Ca 0.14 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.19 2.87 -1.11 1.61 2.02 -0.85 -4.95 117.35 113.76 1xlf s TYR 173 Ca 0.33 1.53 -0.04 0.00 -0.37 0.00 0.00 57.07 58.52 1xlf s TYR 173 Cb -0.15 -3.08 0.28 0.00 -0.40 0.00 0.00 41.96 38.61 1xlf s TYR 173 CO 0.41 -1.26 1.66 -1.71 -1.57 0.00 0.00 175.55 173.08 1xlf n ASN 174 N -1.89 6.55 -4.08 2.29 5.15 -1.26 -4.81 115.26 117.21 1xlf n ASN 174 Ca 0.09 -3.43 -0.15 0.00 -0.60 0.00 0.00 54.58 50.50 1xlf n ASN 174 Cb 0.52 -1.28 -0.12 0.00 -0.53 0.00 0.00 39.78 38.37 1xlf n ASN 174 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1xlf s LEU 175 N -2.78 2.21 0.05 1.20 1.43 -1.26 -4.41 118.68 115.12 1xlf s LEU 175 Ca 0.35 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 53.04 1xlf s LEU 175 Cb 0.09 -0.30 -0.03 0.00 0.03 0.00 0.00 46.19 45.98 1xlf s LEU 175 CO 0.04 -0.11 -0.20 -0.13 0.23 0.00 0.00 176.35 176.18 1xlf s ARG 176 N -1.32 1.28 -0.02 1.70 0.52 -0.90 -4.98 118.95 115.23 1xlf s ARG 176 Ca -0.05 -0.95 -0.14 0.00 -0.52 0.00 0.00 55.73 54.07 1xlf s ARG 176 Cb -0.08 -1.40 -0.05 0.00 0.52 0.00 0.00 34.95 33.93 1xlf s ARG 176 CO 0.01 0.35 0.37 0.42 0.02 0.00 0.00 175.30 176.47 1xlf s ILE 177 N -0.87 5.10 -0.20 1.52 1.01 -0.33 -0.53 121.20 126.89 1xlf s ILE 177 Ca 0.06 0.75 -0.00 0.00 0.00 0.00 0.00 60.65 61.47 1xlf s ILE 177 Cb -0.09 -3.67 0.05 0.00 0.01 0.00 0.00 42.46 38.76 1xlf s ILE 177 CO 0.02 0.58 -0.05 0.00 0.00 0.00 0.00 174.94 175.49 1xlf s ALA 178 N -1.04 1.68 0.21 9.38 0.00 -0.09 -0.59 121.76 131.30 1xlf s ALA 178 Ca 0.22 -1.06 -0.28 0.00 0.00 0.00 0.00 51.96 50.84 1xlf s ALA 178 Cb -0.16 -1.26 -0.08 0.00 0.00 0.00 0.00 23.12 21.62 1xlf s ALA 178 CO 0.12 -0.97 0.88 -0.51 0.00 0.00 0.00 175.76 175.28 1xlf s LEU 179 N 1.54 4.62 -0.34 0.00 1.43 -0.56 -1.59 118.68 123.78 1xlf s LEU 179 Ca -0.02 1.83 -0.03 0.00 -1.03 0.00 0.00 54.13 54.89 1xlf s LEU 179 Cb -0.17 -3.50 0.07 0.00 0.03 0.00 0.00 46.19 42.62 1xlf s LEU 179 CO -0.07 0.16 0.08 -0.70 0.23 0.00 0.00 176.35 176.05 1xlf s GLU 180 N -1.10 2.30 0.61 1.70 2.12 -0.61 -0.22 118.70 123.50 1xlf s GLU 180 Ca 0.39 -1.44 -0.16 0.00 0.36 0.00 0.00 54.97 54.13 1xlf s GLU 180 Cb -0.25 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 1xlf s GLU 180 CO 0.30 -0.77 1.08 -2.14 -0.54 0.00 0.00 175.26 173.18 1xlf s PRO 181 N 1.23 3.16 -0.29 4.30 0.02 -1.26 -4.32 135.00 137.85 1xlf s PRO 181 Ca -0.00 1.30 -0.16 0.00 0.02 0.00 0.00 61.00 62.16 1xlf s PRO 181 Cb -0.21 -2.01 0.12 0.00 0.02 0.00 0.00 34.50 32.43 1xlf s PRO 181 CO -0.02 -0.95 0.85 0.21 -0.33 0.00 0.00 177.00 176.76 1xlf s LYS 182 N -3.99 0.52 0.15 5.54 2.20 -1.23 -4.73 119.74 118.20 1xlf s LYS 182 Ca 0.65 0.92 -0.08 0.00 -0.36 0.00 0.00 55.97 57.11 1xlf s LYS 182 Cb -0.18 0.13 -0.02 0.00 -1.51 0.00 0.00 37.83 36.25 1xlf s LYS 182 CO 0.37 -0.11 1.42 -1.00 -0.36 0.00 0.00 175.35 175.66 1xlf h PRO 183 N 6.54 0.70 -3.17 4.03 0.13 -1.72 -3.38 132.00 135.13 1xlf h PRO 183 Ca -0.28 -0.48 -0.04 0.00 -0.87 0.00 0.00 66.00 64.32 1xlf h PRO 183 Cb 1.20 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1xlf h PRO 183 CO 0.18 1.11 0.19 0.54 -0.23 0.00 0.00 178.00 179.79 1xlf s ASN 184 N -6.98 0.09 -0.06 1.44 4.22 -1.26 -2.01 114.94 110.37 1xlf s ASN 184 Ca -0.09 -1.12 -0.05 0.00 -2.14 0.00 0.00 52.86 49.47 1xlf s ASN 184 Cb 0.10 0.80 0.02 0.00 1.28 0.00 0.00 41.25 43.45 1xlf s ASN 184 CO 0.87 -1.58 0.09 1.21 -2.04 0.00 0.00 177.10 175.66 1xlf n GLU 185 N -0.52 -3.09 0.09 3.55 2.13 -1.26 -4.82 120.64 116.71 1xlf n GLU 185 Ca -0.06 2.47 0.13 0.00 0.66 0.00 0.00 57.16 60.36 1xlf n GLU 185 Cb 0.60 -3.42 0.36 0.00 0.27 0.00 0.00 31.44 29.25 1xlf n GLU 185 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1xlf n PRO 186 N 1.12 0.25 -2.54 5.31 -0.04 -1.25 -5.01 135.00 132.84 1xlf n PRO 186 Ca -0.16 0.17 -0.31 0.00 -0.04 0.00 0.00 63.50 63.16 1xlf n PRO 186 Cb 0.25 -1.76 -0.03 0.00 -0.04 0.00 0.00 33.50 31.92 1xlf n PRO 186 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xlf s ARG 187 N -3.11 3.82 0.24 0.54 1.81 -1.26 -5.00 118.95 116.00 1xlf s ARG 187 Ca 0.10 0.70 -0.04 0.00 -1.72 0.00 0.00 55.73 54.76 1xlf s ARG 187 Cb 0.13 -2.24 0.26 0.00 -0.45 0.00 0.00 34.95 32.64 1xlf s ARG 187 CO 0.62 -0.21 1.76 0.78 -0.68 0.00 0.00 175.30 177.58 1xlf h GLY 188 N 0.89 1.03 -6.89 -3.53 0.00 -1.86 -3.42 103.07 89.29 1xlf h GLY 188 Ca -0.47 -0.64 -0.42 0.00 0.00 0.00 0.00 47.33 45.81 1xlf h GLY 188 CO 0.62 0.60 -0.76 0.99 0.00 0.00 0.00 176.54 177.99 1xlf s ASP 189 N -6.55 1.33 -0.08 0.19 1.01 -0.73 -4.66 116.67 107.19 1xlf s ASP 189 Ca -0.11 -0.06 -0.04 0.00 0.71 0.00 0.00 52.55 53.05 1xlf s ASP 189 Cb 0.15 -0.38 -0.04 0.00 1.01 0.00 0.00 42.92 43.66 1xlf s ASP 189 CO 0.82 -0.17 0.12 -0.63 0.21 0.00 0.00 175.17 175.52 1xlf s ILE 190 N 1.76 5.21 0.49 0.77 1.01 -0.85 -1.94 121.20 127.64 1xlf s ILE 190 Ca 0.01 -0.02 -0.22 0.00 0.00 0.00 0.00 60.65 60.42 1xlf s ILE 190 Cb -0.13 -3.31 -0.06 0.00 0.01 0.00 0.00 42.46 38.97 1xlf s ILE 190 CO -0.04 0.52 1.21 -0.36 0.00 0.00 0.00 174.94 176.27 1xlf s PHE 191 N -1.09 2.71 -1.08 3.97 0.08 -0.29 -3.55 117.98 118.72 1xlf s PHE 191 Ca 0.18 1.50 -0.08 0.00 0.12 0.00 0.00 56.93 58.65 1xlf s PHE 191 Cb -0.12 -3.47 -0.05 0.00 -0.57 0.00 0.00 43.02 38.80 1xlf s PHE 191 CO 0.08 -1.85 0.90 1.28 -0.10 0.00 0.00 175.22 175.52 1xlf n LEU 192 N -0.72 -5.01 0.23 -0.37 4.77 -1.26 -4.82 117.00 109.81 1xlf n LEU 192 Ca 0.09 -0.77 0.09 0.00 -0.03 0.00 0.00 56.01 55.39 1xlf n LEU 192 Cb 0.48 -3.05 0.56 0.00 -2.33 0.00 0.00 43.42 39.08 1xlf n LEU 192 CO 0.48 0.19 0.86 1.55 -1.33 0.00 0.00 177.39 179.14 1xlf h PRO 193 N -1.28 0.00 -4.97 3.23 0.13 -1.73 -3.26 132.00 124.12 1xlf h PRO 193 Ca -0.62 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 63.99 1xlf h PRO 193 Cb 1.32 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.32 1xlf h PRO 193 CO 0.45 0.21 -0.50 0.95 -0.23 0.00 0.00 178.00 178.88 1xlf s THR 194 N -4.04 0.33 0.13 1.56 -4.23 -1.26 -2.38 115.64 105.76 1xlf s THR 194 Ca -0.02 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.30 1xlf s THR 194 Cb 0.13 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 71.55 1xlf s THR 194 CO 0.63 0.00 1.71 0.58 -0.54 0.00 0.00 174.62 177.00 1xlf h VAL 195 N 1.94 0.80 -0.25 2.29 2.07 -1.94 -2.69 116.25 118.46 1xlf h VAL 195 Ca -0.31 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.26 1xlf h VAL 195 Cb 1.26 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 1xlf h VAL 195 CO 0.48 0.01 -0.18 1.23 0.02 0.00 0.00 177.57 179.13 1xlf h GLY 196 N 0.03 -0.02 0.84 2.17 0.00 -1.96 -1.14 103.07 102.99 1xlf h GLY 196 Ca 0.11 0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.70 1xlf h GLY 196 CO -0.21 -0.18 0.35 0.45 0.00 0.00 0.00 176.54 176.95 1xlf h HIS 197 N -0.17 0.66 -0.51 5.60 -0.00 -1.90 -1.77 115.15 117.05 1xlf h HIS 197 Ca 0.14 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.44 1xlf h HIS 197 Cb 0.38 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.57 1xlf h HIS 197 CO -0.35 0.36 -0.05 0.78 -0.00 0.00 0.00 177.93 178.67 1xlf h GLY 198 N 0.69 1.01 0.95 2.45 0.00 -1.25 -2.31 103.07 104.61 1xlf h GLY 198 Ca 0.24 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1xlf h GLY 198 CO -0.12 0.72 0.18 1.41 0.00 0.00 0.00 176.54 178.73 1xlf h LEU 199 N 0.80 0.47 -0.08 3.11 3.38 -0.82 -2.60 115.31 119.57 1xlf h LEU 199 Ca 0.14 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xlf h LEU 199 Cb 0.59 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1xlf h LEU 199 CO 0.04 0.46 0.04 0.00 0.09 0.00 0.00 178.44 179.06 1xlf h ALA 200 N 1.03 0.11 -0.49 1.53 0.00 -1.31 -3.02 119.26 117.10 1xlf h ALA 200 Ca 0.12 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1xlf h ALA 200 Cb 0.11 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 1xlf h ALA 200 CO -0.02 -0.32 0.04 0.35 0.00 0.00 0.00 179.25 179.30 1xlf h PHE 201 N -0.00 0.05 -0.78 0.00 3.57 -1.38 -1.87 116.94 116.53 1xlf h PHE 201 Ca 0.03 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.69 1xlf h PHE 201 Cb 0.14 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 1xlf h PHE 201 CO -0.03 -0.07 0.51 0.82 -2.23 0.00 0.00 178.31 177.32 1xlf h ILE 202 N 0.16 0.86 0.00 1.41 2.04 -1.33 -2.25 117.51 118.41 1xlf h ILE 202 Ca 0.25 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1xlf h ILE 202 Cb 0.35 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1xlf h ILE 202 CO -0.37 0.10 0.00 -0.62 0.00 0.00 0.00 178.15 177.26 1xlf n GLU 203 N -4.50 0.47 0.00 2.37 -0.58 -0.70 -2.48 120.64 115.21 1xlf n GLU 203 Ca 0.14 0.04 0.08 0.00 -0.42 0.00 0.00 57.16 57.00 1xlf n GLU 203 Cb 0.44 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.83 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 -1.10 1.53 -2.37 3.49 1.13 -0.84 -4.99 117.38 114.23 1xlf n GLN 204 Ca 0.12 -1.09 -0.28 0.00 -1.94 0.00 0.00 57.00 53.81 1xlf n GLN 204 Cb 0.09 -1.28 0.01 0.00 0.11 0.00 0.00 30.24 29.17 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 -1.73 3.40 -0.11 1.08 1.43 -1.03 -4.99 118.68 116.73 1xlf s LEU 205 Ca 0.16 0.99 -0.16 0.00 -1.03 0.00 0.00 54.13 54.08 1xlf s LEU 205 Cb 0.13 -3.92 -0.27 0.00 0.03 0.00 0.00 46.19 42.16 1xlf s LEU 205 CO 0.31 -0.80 0.56 -0.08 0.23 0.00 0.00 176.35 176.56 1xlf h GLU 206 N -0.04 0.23 -1.03 1.70 4.81 -1.94 -3.37 114.58 114.95 1xlf h GLU 206 Ca -0.46 -0.40 -0.65 0.00 -0.13 0.00 0.00 59.36 57.72 1xlf h GLU 206 Cb 1.22 0.15 -0.33 0.00 0.63 0.00 0.00 28.75 30.42 1xlf h GLU 206 CO 0.62 1.19 0.39 0.72 -0.73 0.00 0.00 179.01 181.19 1xlf n HIS 207 N -3.95 3.09 -0.06 0.92 8.25 -1.26 -4.80 115.22 117.41 1xlf n HIS 207 Ca -0.25 -2.77 0.20 0.00 -0.26 0.00 0.00 57.72 54.64 1xlf n HIS 207 Cb 0.89 -1.09 0.64 0.00 1.12 0.00 0.00 29.99 31.54 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 2.14 0.20 1.03 -1.41 0.00 -1.80 -2.72 103.07 100.51 1xlf h GLY 208 Ca 0.53 -0.05 0.13 0.00 0.00 0.00 0.00 47.33 47.94 1xlf h GLY 208 CO 1.34 0.02 0.37 1.29 0.00 0.00 0.00 176.54 179.55 1xlf h ASP 209 N 0.12 0.13 -0.28 0.19 2.03 -1.90 -1.54 116.42 115.17 1xlf h ASP 209 Ca 0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.61 1xlf h ASP 209 Cb 1.03 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.51 1xlf h ASP 209 CO -0.04 0.08 0.00 2.30 -1.03 0.00 0.00 179.24 180.55 1xlf n ILE 210 N -4.43 1.84 -4.90 4.15 -5.35 -1.03 -4.98 119.36 104.68 1xlf n ILE 210 Ca 0.09 -1.58 -0.33 0.00 -0.27 0.00 0.00 62.75 60.66 1xlf n ILE 210 Cb 0.50 0.00 -0.15 0.00 -1.74 0.00 0.00 39.64 38.25 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 -2.20 2.67 0.00 7.28 1.01 -0.58 -1.19 120.40 127.38 1xlf s VAL 211 Ca 0.35 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1xlf s VAL 211 Cb 0.26 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1xlf s VAL 211 CO 0.11 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1xlf n GLY 212 N 3.58 4.66 3.55 4.51 0.00 0.24 -4.93 105.19 116.79 1xlf n GLY 212 Ca -0.19 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.36 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 2.74 -0.49 0.99 1.43 0.18 -1.49 118.68 122.04 1xlf s LEU 213 Ca 0.00 -1.18 0.06 0.00 -1.03 0.00 0.00 54.13 51.98 1xlf s LEU 213 Cb 0.00 -1.02 0.22 0.00 0.03 0.00 0.00 46.19 45.42 1xlf s LEU 213 CO 0.00 -0.20 0.52 -3.20 0.23 0.00 0.00 176.35 173.70 1xlf n ASN 214 N -0.80 1.13 -4.75 2.29 5.15 0.69 -2.52 115.26 116.45 1xlf n ASN 214 Ca -0.05 -2.84 -0.35 0.00 -0.60 0.00 0.00 54.58 50.74 1xlf n ASN 214 Cb 0.63 -0.64 0.05 0.00 -0.53 0.00 0.00 39.78 39.29 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 -1.18 2.80 -0.06 1.20 0.02 -1.26 -4.34 135.00 132.17 1xlf s PRO 215 Ca 0.34 1.74 0.01 0.00 0.02 0.00 0.00 61.00 63.12 1xlf s PRO 215 Cb 0.11 -1.92 0.02 0.00 0.02 0.00 0.00 34.50 32.73 1xlf s PRO 215 CO -0.12 -1.32 -0.08 -2.00 -0.33 0.00 0.00 177.00 173.15 1xlf s GLU 216 N -3.55 1.29 0.10 5.54 2.12 -1.26 -1.30 118.70 121.64 1xlf s GLU 216 Ca 0.75 -0.25 -0.19 0.00 0.36 0.00 0.00 54.97 55.64 1xlf s GLU 216 Cb -0.28 -1.19 -0.04 0.00 0.26 0.00 0.00 34.13 32.87 1xlf s GLU 216 CO 0.36 -0.07 1.31 2.41 -0.54 0.00 0.00 175.26 178.74 1xlf n THR 217 N 4.12 -0.42 -0.34 -1.70 -1.04 -0.98 -1.99 114.28 111.92 1xlf n THR 217 Ca -0.21 2.04 0.07 0.00 -2.04 0.00 0.00 64.05 63.90 1xlf n THR 217 Cb 0.51 -2.57 0.26 0.00 -1.82 0.00 0.00 70.33 66.71 1xlf n THR 217 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1xlf h GLY 218 N 0.00 1.51 0.98 3.41 0.00 -1.88 -2.94 103.07 104.15 1xlf h GLY 218 Ca 0.10 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1xlf h GLY 218 CO -0.59 0.19 -0.13 0.45 0.00 0.00 0.00 176.54 176.46 1xlf h HIS 219 N 0.97 -0.34 -0.06 5.60 3.86 -1.75 -0.86 115.15 122.57 1xlf h HIS 219 Ca 0.47 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.60 1xlf h HIS 219 Cb 0.45 0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 1xlf h HIS 219 CO -0.00 -0.19 -0.29 0.93 0.86 0.00 0.00 177.93 179.24 1xlf h GLU 220 N -0.39 0.10 0.00 2.45 4.39 -1.41 -2.66 114.58 117.06 1xlf h GLU 220 Ca -0.04 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1xlf h GLU 220 Cb 0.30 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1xlf h GLU 220 CO 0.06 0.38 -0.18 1.96 -1.16 0.00 0.00 179.01 180.07 1xlf h GLN 221 N 0.09 0.00 0.00 2.33 4.20 -1.30 -2.12 115.11 118.31 1xlf h GLN 221 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1xlf h GLN 221 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1xlf h GLN 221 CO 0.04 0.18 0.00 0.52 -0.67 0.00 0.00 178.83 178.90 1xlf h MET 222 N 0.00 0.00 -0.23 1.46 2.86 -0.79 -0.71 114.93 117.52 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 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1xlf h MET 222 CO 0.02 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.99 1xlf n ALA 223 N -1.94 2.42 -1.79 6.32 0.00 -0.84 -4.77 120.51 119.92 1xlf n ALA 223 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 53.44 52.46 1xlf n ALA 223 Cb 0.21 -0.75 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 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 1.27 0.64 3.91 0.00 0.00 -0.27 -5.01 105.19 105.73 1xlf n GLY 224 Ca 0.15 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.26 3.18 -0.39 0.99 1.43 -0.98 -4.98 118.68 114.67 1xlf s LEU 225 Ca 0.00 0.75 -0.21 0.00 -1.03 0.00 0.00 54.13 53.64 1xlf s LEU 225 Cb 0.00 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.67 1xlf s LEU 225 CO 0.00 -1.12 0.68 0.21 0.23 0.00 0.00 176.35 176.36 1xlf s ASN 226 N -4.32 6.42 0.17 2.29 3.84 -1.26 -4.33 114.94 117.75 1xlf s ASN 226 Ca 0.55 0.02 -0.15 0.00 0.21 0.00 0.00 52.86 53.49 1xlf s ASN 226 Cb -0.11 -2.35 0.07 0.00 -0.55 0.00 0.00 41.25 38.32 1xlf s ASN 226 CO 0.46 -0.71 1.81 0.15 -2.79 0.00 0.00 177.10 176.02 1xlf h PHE 227 N 8.65 0.55 -0.86 0.43 3.57 -1.92 -0.98 116.94 126.38 1xlf h PHE 227 Ca -0.26 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.25 1xlf h PHE 227 Cb 1.10 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 1xlf h PHE 227 CO 0.76 0.32 0.48 1.15 -2.23 0.00 0.00 178.31 178.80 1xlf h THR 228 N 0.59 1.25 -0.46 4.41 2.02 -1.92 -0.18 112.91 118.61 1xlf h THR 228 Ca 0.18 -0.59 0.03 0.00 0.77 0.00 0.00 66.41 66.80 1xlf h THR 228 Cb -0.01 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.45 1xlf h THR 228 CO -0.07 0.27 0.26 0.45 0.37 0.00 0.00 175.52 176.80 1xlf h HIS 229 N 1.19 0.48 -0.38 3.16 3.86 -1.83 -1.02 115.15 120.60 1xlf h HIS 229 Ca 0.30 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.47 1xlf h HIS 229 Cb 0.01 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 1xlf h HIS 229 CO 0.00 0.27 -0.00 0.78 0.86 0.00 0.00 177.93 179.84 1xlf h GLY 230 N 0.52 0.73 1.94 2.45 0.00 -0.76 -2.48 103.07 105.47 1xlf h GLY 230 Ca 0.19 -0.54 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 1xlf h GLY 230 CO -0.10 0.50 -0.55 0.16 0.00 0.00 0.00 176.54 176.54 1xlf h ILE 231 N 0.50 1.39 -0.41 2.60 3.07 -1.02 -2.16 117.51 121.49 1xlf h ILE 231 Ca 0.11 -1.89 0.05 0.00 1.55 0.00 0.00 64.86 64.68 1xlf h ILE 231 Cb 0.47 2.00 -0.05 0.00 -0.27 0.00 0.00 36.82 38.97 1xlf h ILE 231 CO 0.02 0.55 0.13 0.00 -1.05 0.00 0.00 178.15 177.79 1xlf h ALA 232 N 1.39 0.47 -0.46 0.16 0.00 -1.09 0.57 119.26 120.30 1xlf h ALA 232 Ca -0.00 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1xlf h ALA 232 Cb 0.99 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1xlf h ALA 232 CO 0.08 -0.27 -0.06 0.37 0.00 0.00 0.00 179.25 179.37 1xlf h GLN 233 N 0.28 0.81 -0.05 0.00 4.15 -1.19 0.25 115.11 119.36 1xlf h GLN 233 Ca 0.19 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1xlf h GLN 233 Cb 0.19 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 1xlf h GLN 233 CO -0.21 0.85 0.01 0.00 -1.93 0.00 0.00 178.83 177.55 1xlf h ALA 234 N 1.19 0.07 -0.20 3.38 0.00 -0.82 -1.86 119.26 121.01 1xlf h ALA 234 Ca 0.13 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1xlf h ALA 234 Cb 0.53 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1xlf h ALA 234 CO 0.03 -0.29 0.05 1.25 0.00 0.00 0.00 179.25 180.29 1xlf h LEU 235 N -0.17 0.03 -0.74 0.00 6.46 0.46 -1.19 115.31 120.16 1xlf h LEU 235 Ca 0.01 0.03 0.12 0.00 -0.12 0.00 0.00 57.88 57.92 1xlf h LEU 235 Cb 0.28 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.16 1xlf h LEU 235 CO 0.00 0.04 0.34 -0.25 -0.62 0.00 0.00 178.44 177.96 1xlf h TRP 236 N 0.13 0.60 0.00 1.25 7.01 -0.49 -0.05 115.95 124.39 1xlf h TRP 236 Ca 0.09 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.12 1xlf h TRP 236 Cb 0.08 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 26.98 1xlf h TRP 236 CO -0.14 0.15 0.00 0.00 -2.79 0.00 0.00 178.44 175.67 1xlf n ALA 237 N -2.45 2.23 -2.92 2.65 0.00 -0.70 -4.90 120.51 114.41 1xlf n ALA 237 Ca 0.13 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 1xlf n ALA 237 Cb 0.35 -1.41 0.03 0.00 0.00 0.00 0.00 19.45 18.42 1xlf n ALA 237 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1xlf n GLU 238 N -1.39 -3.48 0.00 0.00 2.13 -0.03 -4.93 120.64 112.95 1xlf n GLU 238 Ca 0.09 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.33 1xlf n GLU 238 Cb 0.25 -4.19 0.00 0.00 0.27 0.00 0.00 31.44 27.77 1xlf n GLU 238 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1xlf n LYS 239 N -2.59 0.17 -2.58 5.31 4.76 -0.51 -4.92 118.16 117.80 1xlf n LYS 239 Ca -0.01 -0.74 -0.42 0.00 -2.87 0.00 0.00 58.31 54.27 1xlf n LYS 239 Cb 0.54 -0.96 -0.02 0.00 -1.84 0.00 0.00 35.03 32.75 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 -0.27 3.66 0.12 -0.35 2.96 -1.23 -0.65 118.68 122.92 1xlf s LEU 240 Ca 0.00 -1.71 0.17 0.00 -0.22 0.00 0.00 54.13 52.37 1xlf s LEU 240 Cb 0.00 -2.56 -0.08 0.00 0.50 0.00 0.00 46.19 44.05 1xlf s LEU 240 CO 0.00 -1.41 0.98 -0.26 -1.32 0.00 0.00 176.35 174.34 1xlf h PHE 241 N 9.25 0.00 -3.02 5.38 -1.00 -1.85 -3.48 116.94 122.23 1xlf h PHE 241 Ca 0.25 0.00 0.02 0.00 2.81 0.00 0.00 57.97 61.05 1xlf h PHE 241 Cb 0.98 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.52 1xlf h PHE 241 CO 1.31 0.50 0.25 -1.58 -1.61 0.00 0.00 178.31 177.17 1xlf s HIS 242 N -2.98 0.00 -0.06 -0.55 2.46 -1.10 -4.90 115.29 108.17 1xlf s HIS 242 Ca -0.01 -0.58 -0.18 0.00 0.47 0.00 0.00 55.06 54.76 1xlf s HIS 242 Cb 0.08 0.77 0.04 0.00 -0.13 0.00 0.00 32.58 33.34 1xlf s HIS 242 CO 0.79 -1.42 0.42 -1.50 -2.47 0.00 0.00 174.74 170.56 1xlf s ILE 243 N -3.01 0.03 -0.19 0.89 2.07 -1.26 -4.12 121.20 115.61 1xlf s ILE 243 Ca 0.14 -0.25 -0.01 0.00 -1.41 0.00 0.00 60.65 59.12 1xlf s ILE 243 Cb -0.05 -0.69 0.01 0.00 0.13 0.00 0.00 42.46 41.85 1xlf s ILE 243 CO 0.10 -0.14 -0.15 -1.81 -1.91 0.00 0.00 174.94 171.03 1xlf s ASP 244 N -0.86 3.55 -0.13 4.50 1.01 -0.42 -3.54 116.67 120.78 1xlf s ASP 244 Ca -0.09 -0.55 -0.03 0.00 0.71 0.00 0.00 52.55 52.59 1xlf s ASP 244 Cb -0.04 -1.57 -0.03 0.00 1.01 0.00 0.00 42.92 42.29 1xlf s ASP 244 CO 0.04 0.01 -0.01 -0.76 0.21 0.00 0.00 175.17 174.66 1xlf s LEU 245 N 1.27 3.44 0.00 1.23 1.43 -0.13 -2.32 118.68 123.61 1xlf s LEU 245 Ca 0.04 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1xlf s LEU 245 Cb -0.14 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1xlf s LEU 245 CO -0.08 0.26 0.00 -0.46 0.23 0.00 0.00 176.35 176.30 1xlf n ASN 246 N 2.91 0.00 -4.12 2.29 0.23 -1.26 -2.46 115.26 112.85 1xlf n ASN 246 Ca -0.18 -0.71 -0.16 0.00 -0.53 0.00 0.00 54.58 53.00 1xlf n ASN 246 Cb 0.53 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.11 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 -1.78 0.72 -0.02 4.83 0.00 -0.33 -4.43 107.32 106.31 1xlf s GLY 247 Ca 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 44.72 43.81 1xlf s GLY 247 CO 0.00 -0.93 0.06 1.62 0.00 0.00 0.00 173.10 173.85 1xlf s GLN 248 N -1.64 0.05 -0.83 2.90 2.00 -1.26 -1.45 119.66 119.43 1xlf s GLN 248 Ca -0.05 0.12 -0.02 0.00 -2.00 0.00 0.00 55.36 53.40 1xlf s GLN 248 Cb -0.10 -0.04 0.21 0.00 0.80 0.00 0.00 33.01 33.88 1xlf s GLN 248 CO 0.01 -0.05 0.70 1.03 -0.50 0.00 0.00 175.29 176.49 1xlf s ARG 249 N 0.30 3.12 0.00 1.67 0.52 -1.26 -3.44 118.95 119.86 1xlf s ARG 249 Ca -0.02 -3.08 0.00 0.00 -0.52 0.00 0.00 55.73 52.10 1xlf s ARG 249 Cb -0.03 -3.92 0.00 0.00 0.52 0.00 0.00 34.95 31.52 1xlf s ARG 249 CO -0.01 -1.24 0.00 0.41 0.02 0.00 0.00 175.30 174.48 1xlf n GLY 250 N 2.65 0.26 3.54 -3.53 0.00 -1.26 -4.86 105.19 101.98 1xlf n GLY 250 Ca 0.18 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.42 3.94 0.00 -0.61 1.01 -1.26 -4.61 121.20 118.25 1xlf s ILE 251 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.08 1xlf s ILE 251 Cb 0.00 -4.80 0.00 0.00 0.01 0.00 0.00 42.46 37.67 1xlf s ILE 251 CO 0.00 -1.60 0.00 2.29 0.00 0.00 0.00 174.94 175.63 1xlf n LYS 252 N 8.73 0.00 -1.20 2.79 2.85 -1.26 -5.09 118.16 124.97 1xlf n LYS 252 Ca 0.03 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.95 1xlf n LYS 252 Cb 0.48 0.00 0.10 0.00 -0.65 0.00 0.00 35.03 34.96 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 0.29 -1.83 5.58 4.11 -1.26 -4.83 117.16 119.22 1xlf n TYR 253 Ca 0.00 0.37 -0.43 0.00 -0.00 0.00 0.00 57.90 57.84 1xlf n TYR 253 Cb 0.00 -2.02 -0.03 0.00 -0.00 0.00 0.00 39.34 37.29 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 -1.78 5.96 0.02 9.48 2.15 -1.26 -4.88 116.67 126.36 1xlf s ASP 254 Ca 0.70 1.84 -0.11 0.00 0.43 0.00 0.00 52.55 55.41 1xlf s ASP 254 Cb -0.32 -2.52 -0.33 0.00 -0.30 0.00 0.00 42.92 39.46 1xlf s ASP 254 CO 0.54 -1.57 0.94 1.56 -0.17 0.00 0.00 175.17 176.47 1xlf h GLN 255 N 12.71 0.43 -5.97 4.34 4.20 -1.88 -3.49 115.11 125.46 1xlf h GLN 255 Ca -0.39 -0.74 -0.40 0.00 0.06 0.00 0.00 58.65 57.18 1xlf h GLN 255 Cb 1.20 0.28 0.08 0.00 0.30 0.00 0.00 27.48 29.34 1xlf h GLN 255 CO 0.98 1.34 -0.78 -0.25 -0.67 0.00 0.00 178.83 179.45 1xlf n ASP 256 N -3.63 -2.77 -4.52 1.46 8.00 -1.21 -4.70 116.55 109.18 1xlf n ASP 256 Ca -0.17 -0.72 -0.29 0.00 0.71 0.00 0.00 54.79 54.32 1xlf n ASP 256 Cb 1.08 -4.46 0.16 0.00 -0.02 0.00 0.00 41.12 37.88 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 -6.79 1.97 0.66 0.64 1.43 -0.53 0.33 118.68 116.41 1xlf s LEU 257 Ca 0.20 0.77 -0.16 0.00 -1.03 0.00 0.00 54.13 53.91 1xlf s LEU 257 Cb -0.09 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.16 1xlf s LEU 257 CO 0.78 -2.79 1.17 -0.69 0.23 0.00 0.00 176.35 175.06 1xlf s VAL 258 N -3.37 2.71 0.13 -1.59 1.01 -1.26 -1.19 120.40 116.84 1xlf s VAL 258 Ca 0.67 0.37 -0.33 0.00 0.00 0.00 0.00 61.98 62.69 1xlf s VAL 258 Cb -0.12 -2.97 -0.12 0.00 0.00 0.00 0.00 36.38 33.17 1xlf s VAL 258 CO 0.53 -0.17 1.73 0.33 0.00 0.00 0.00 175.10 177.53 1xlf n PHE 259 N -2.27 2.50 0.00 5.22 7.35 -1.26 -1.56 117.46 127.44 1xlf n PHE 259 Ca 0.12 0.05 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 1xlf n PHE 259 Cb 0.51 -2.65 0.00 0.00 0.35 0.00 0.00 39.48 37.69 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 3.93 1.71 0.96 7.13 0.00 -1.26 -4.76 105.19 112.89 1xlf n GLY 260 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 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 0.67 0.00 1.61 8.25 -0.60 -4.53 115.22 118.62 1xlf n HIS 261 Ca 0.00 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 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 1.34 1.19 3.55 -1.41 0.00 -1.26 -4.80 105.19 103.79 1xlf n GLY 262 Ca 0.18 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.16 5.93 0.05 1.61 -1.08 -1.22 -4.89 116.67 116.91 1xlf s ASP 263 Ca 0.00 -0.37 -0.25 0.00 -0.52 0.00 0.00 52.55 51.41 1xlf s ASP 263 Cb 0.00 -2.55 -0.17 0.00 -1.46 0.00 0.00 42.92 38.74 1xlf s ASP 263 CO 0.00 -1.98 1.54 0.25 0.52 0.00 0.00 175.17 175.50 1xlf h LEU 264 N 14.07 -0.13 -0.75 -1.34 5.85 -1.94 -1.42 115.31 129.65 1xlf h LEU 264 Ca -0.21 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.42 1xlf h LEU 264 Cb 1.07 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 1xlf h LEU 264 CO 1.28 0.07 0.45 0.74 -0.34 0.00 0.00 178.44 180.63 1xlf h THR 265 N -0.32 1.02 -0.48 1.05 2.02 -1.95 -1.02 112.91 113.22 1xlf h THR 265 Ca -0.02 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 66.82 1xlf h THR 265 Cb 0.27 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1xlf h THR 265 CO 0.03 0.15 0.04 -1.28 0.37 0.00 0.00 175.52 174.82 1xlf h SER 266 N 0.82 0.74 -0.65 4.18 0.87 -1.95 -2.59 113.55 114.97 1xlf h SER 266 Ca 0.33 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1xlf h SER 266 Cb 0.15 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 1xlf h SER 266 CO -0.17 0.78 0.36 0.00 -0.53 0.00 0.00 176.83 177.28 1xlf h ALA 267 N 1.31 0.84 -0.12 6.23 0.00 -0.51 -0.41 119.26 126.59 1xlf h ALA 267 Ca 0.15 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1xlf h ALA 267 Cb 0.40 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1xlf h ALA 267 CO 0.01 0.35 -0.22 0.35 0.00 0.00 0.00 179.25 179.74 1xlf h PHE 268 N 0.89 -0.59 -0.11 0.00 3.57 -0.83 0.16 116.94 120.04 1xlf h PHE 268 Ca 0.23 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.66 1xlf h PHE 268 Cb 0.04 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1xlf h PHE 268 CO -0.01 -0.30 -0.36 0.74 -2.23 0.00 0.00 178.31 176.15 1xlf h PHE 269 N -0.28 0.26 0.03 0.41 0.04 -1.41 0.22 116.94 116.20 1xlf h PHE 269 Ca 0.10 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 1xlf h PHE 269 Cb 0.43 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1xlf h PHE 269 CO -0.32 0.56 -0.02 1.15 -0.60 0.00 0.00 178.31 179.09 1xlf h THR 270 N 0.20 1.19 -0.71 -1.55 2.02 -0.82 -1.99 112.91 111.24 1xlf h THR 270 Ca 0.02 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 1xlf h THR 270 Cb 0.73 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.76 1xlf h THR 270 CO 0.06 0.18 0.33 0.58 0.37 0.00 0.00 175.52 177.04 1xlf h VAL 271 N -0.35 1.24 -0.34 3.16 2.07 -0.33 -1.10 116.25 120.59 1xlf h VAL 271 Ca -0.00 -0.67 0.07 0.00 0.82 0.00 0.00 66.70 66.91 1xlf h VAL 271 Cb 0.33 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 1xlf h VAL 271 CO 0.01 0.28 -0.05 -0.78 0.02 0.00 0.00 177.57 177.05 1xlf h ASP 272 N 1.00 -0.24 -0.58 0.57 3.58 -0.52 -0.81 116.42 119.42 1xlf h ASP 272 Ca 0.24 0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.74 1xlf h ASP 272 Cb 0.13 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 1xlf h ASP 272 CO -0.03 -0.08 0.18 0.25 -2.88 0.00 0.00 179.24 176.68 1xlf h LEU 273 N 0.04 0.84 -0.12 2.28 5.85 -0.95 0.14 115.31 123.39 1xlf h LEU 273 Ca 0.17 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1xlf h LEU 273 Cb 0.24 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1xlf h LEU 273 CO -0.32 0.83 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.52 1xlf h LEU 274 N 0.81 0.23 0.19 2.25 3.38 -0.76 0.75 115.31 122.16 1xlf h LEU 274 Ca 0.19 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1xlf h LEU 274 Cb 0.29 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xlf h LEU 274 CO -0.01 0.51 -0.09 -0.33 0.09 0.00 0.00 178.44 178.61 1xlf h GLU 275 N -0.07 -0.25 0.00 1.13 4.39 -1.19 -3.40 114.58 115.19 1xlf h GLU 275 Ca 0.03 0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.62 1xlf h GLU 275 Cb 0.41 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1xlf h GLU 275 CO 0.01 0.09 -1.48 0.09 -1.16 0.00 0.00 179.01 176.56 1xlf n ASN 276 N -4.94 0.69 0.00 1.42 3.02 0.45 -5.07 115.26 110.83 1xlf n ASN 276 Ca -0.07 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1xlf n ASN 276 Cb 0.23 0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.90 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 1.36 -0.17 3.87 7.41 0.00 0.26 -4.83 105.19 113.10 1xlf n GLY 277 Ca -0.09 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 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 3.52 0.36 1.61 0.08 -1.26 -4.50 117.98 117.79 1xlf s PHE 278 Ca 0.00 0.40 0.16 0.00 0.12 0.00 0.00 56.93 57.61 1xlf s PHE 278 Cb 0.00 -1.86 1.07 0.00 -0.57 0.00 0.00 43.02 41.66 1xlf s PHE 278 CO 0.00 0.67 1.70 -1.35 -0.10 0.00 0.00 175.22 176.14 1xlf h PRO 279 N 4.36 0.38 -0.02 0.24 0.11 -1.97 0.22 132.00 135.32 1xlf h PRO 279 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1xlf h PRO 279 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xlf h PRO 279 CO 0.63 0.25 -0.05 0.09 -0.21 0.00 0.00 178.00 178.71 1xlf n ASN 280 N -4.87 2.51 0.00 -2.05 3.02 -1.26 -5.04 115.26 107.57 1xlf n ASN 280 Ca 0.30 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.04 1xlf n ASN 280 Cb 0.94 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 40.15 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 1.32 0.47 0.00 7.41 0.00 0.78 -5.11 105.19 110.06 1xlf n GLY 281 Ca 0.15 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 0.78 -0.25 3.78 -0.02 0.00 -1.26 -4.81 105.19 103.41 1xlf n GLY 282 Ca 0.00 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 1xlf n GLY 282 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xlf s PRO 283 N -2.00 2.57 0.01 1.61 0.04 -1.26 -4.89 135.00 131.09 1xlf s PRO 283 Ca 0.00 1.15 0.02 0.00 0.04 0.00 0.00 61.00 62.21 1xlf s PRO 283 Cb 0.00 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 1xlf s PRO 283 CO 0.00 -1.40 -0.06 0.15 0.04 0.00 0.00 177.00 175.74 1xlf s LYS 284 N -4.75 0.42 -0.18 4.56 -0.14 -1.26 -4.46 119.74 113.93 1xlf s LYS 284 Ca 0.61 -0.38 -0.16 0.00 -1.36 0.00 0.00 55.97 54.69 1xlf s LYS 284 Cb -0.17 -0.32 -0.04 0.00 -1.68 0.00 0.00 37.83 35.62 1xlf s LYS 284 CO 0.52 0.08 0.38 -0.47 -0.76 0.00 0.00 175.35 175.10 1xlf s TYR 285 N -0.58 3.41 -0.09 3.18 5.04 -1.26 -4.95 117.35 122.09 1xlf s TYR 285 Ca -0.03 0.64 0.13 0.00 -2.44 0.00 0.00 57.07 55.37 1xlf s TYR 285 Cb -0.05 -2.49 0.24 0.00 0.35 0.00 0.00 41.96 40.02 1xlf s TYR 285 CO -0.00 0.06 1.12 -2.37 -1.34 0.00 0.00 175.55 173.02 1xlf n THR 286 N 4.10 1.20 -1.52 4.34 5.66 -1.26 -4.90 114.28 121.90 1xlf n THR 286 Ca -0.09 -1.63 0.00 0.00 -3.05 0.00 0.00 64.05 59.28 1xlf n THR 286 Cb 0.51 0.10 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 1xlf n THR 286 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xlf n GLY 287 N -0.77 0.55 3.83 1.09 0.00 -1.26 -5.07 105.19 103.56 1xlf n GLY 287 Ca 0.11 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.38 3.25 -0.64 1.61 0.04 -1.26 -5.00 135.00 132.62 1xlf s PRO 288 Ca 0.00 0.99 -0.08 0.00 0.04 0.00 0.00 61.00 61.95 1xlf s PRO 288 Cb 0.00 -2.03 0.17 0.00 0.04 0.00 0.00 34.50 32.67 1xlf s PRO 288 CO 0.00 -0.85 0.51 1.03 0.04 0.00 0.00 177.00 177.73 1xlf s ARG 289 N -4.70 2.85 -0.07 4.56 3.00 -0.24 -4.40 118.95 119.95 1xlf s ARG 289 Ca 0.59 -2.27 -0.15 0.00 0.00 0.00 0.00 55.73 53.90 1xlf s ARG 289 Cb -0.14 -4.00 -0.05 0.00 0.00 0.00 0.00 34.95 30.76 1xlf s ARG 289 CO 0.47 -1.22 0.40 -1.58 0.00 0.00 0.00 175.30 173.38 1xlf s HIS 290 N 0.46 3.61 -0.37 -0.53 2.46 -1.23 -1.69 115.29 117.99 1xlf s HIS 290 Ca 0.14 0.88 -0.10 0.00 0.47 0.00 0.00 55.06 56.44 1xlf s HIS 290 Cb -0.19 -2.37 0.03 0.00 -0.13 0.00 0.00 32.58 29.92 1xlf s HIS 290 CO -0.04 0.43 0.19 -0.06 -2.47 0.00 0.00 174.74 172.78 1xlf s PHE 291 N -0.27 3.25 -0.86 3.88 0.08 -0.49 -0.95 117.98 122.62 1xlf s PHE 291 Ca 0.23 -1.05 -0.06 0.00 0.12 0.00 0.00 56.93 56.17 1xlf s PHE 291 Cb -0.15 -2.41 0.22 0.00 -0.57 0.00 0.00 43.02 40.10 1xlf s PHE 291 CO 0.10 -0.66 0.76 0.34 -0.10 0.00 0.00 175.22 175.66 1xlf s ASP 292 N 1.53 6.26 0.32 1.36 2.15 -1.03 -3.92 116.67 123.33 1xlf s ASP 292 Ca 0.01 -3.24 0.04 0.00 0.43 0.00 0.00 52.55 49.79 1xlf s ASP 292 Cb -0.19 -2.03 -0.03 0.00 -0.30 0.00 0.00 42.92 40.37 1xlf s ASP 292 CO 0.06 -0.34 0.19 -0.72 -0.17 0.00 0.00 175.17 174.19 1xlf s TYR 293 N -0.66 1.65 -0.03 -5.34 1.13 -1.26 -4.64 117.35 108.21 1xlf s TYR 293 Ca 0.23 -1.44 -0.00 0.00 -1.41 0.00 0.00 57.07 54.45 1xlf s TYR 293 Cb -0.12 -0.85 0.03 0.00 -1.10 0.00 0.00 41.96 39.92 1xlf s TYR 293 CO -0.08 -0.59 0.03 0.15 -2.51 0.00 0.00 175.55 172.54 1xlf s LYS 294 N -3.71 0.06 0.10 -3.49 1.02 0.15 -4.40 119.74 109.47 1xlf s LYS 294 Ca 0.35 0.18 -0.31 0.00 0.02 0.00 0.00 55.97 56.21 1xlf s LYS 294 Cb 0.04 -0.35 -0.08 0.00 -0.52 0.00 0.00 37.83 36.91 1xlf s LYS 294 CO 0.20 -0.18 1.51 -2.14 -0.92 0.00 0.00 175.35 173.82 1xlf s PRO 295 N 1.20 4.25 0.12 -1.68 0.02 -1.26 -4.58 135.00 133.07 1xlf s PRO 295 Ca -0.07 2.21 -0.35 0.00 0.02 0.00 0.00 61.00 62.80 1xlf s PRO 295 Cb -0.13 -3.37 -0.17 0.00 0.02 0.00 0.00 34.50 30.85 1xlf s PRO 295 CO -0.03 -0.59 1.22 0.43 -0.33 0.00 0.00 177.00 177.71 1xlf n SER 296 N 4.64 1.32 0.31 2.53 7.64 -1.26 -4.90 113.62 123.90 1xlf n SER 296 Ca 0.14 1.13 0.19 0.00 1.01 0.00 0.00 58.87 61.34 1xlf n SER 296 Cb 0.41 -1.17 0.96 0.00 -1.01 0.00 0.00 64.21 63.39 1xlf n SER 296 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1xlf h ARG 297 N 3.85 0.00 0.00 1.43 0.11 -1.92 -2.69 114.38 115.16 1xlf h ARG 297 Ca -0.46 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.59 1xlf h ARG 297 Cb 1.35 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.42 1xlf h ARG 297 CO 0.73 0.02 -0.17 1.79 0.10 0.00 0.00 179.97 182.44 1xlf h THR 298 N 0.00 0.54 -2.92 0.08 1.35 -1.98 -3.45 112.91 106.53 1xlf h THR 298 Ca -0.00 -0.79 -0.62 0.00 -0.55 0.00 0.00 66.41 64.45 1xlf h THR 298 Cb 0.23 1.53 -0.04 0.00 -1.73 0.00 0.00 68.15 68.14 1xlf h THR 298 CO 0.00 0.16 -0.48 -1.81 -0.25 0.00 0.00 175.52 173.15 1xlf s ASP 299 N -6.14 6.38 0.74 5.36 1.11 -1.02 -5.13 116.67 117.98 1xlf s ASP 299 Ca -0.01 0.32 0.00 0.00 0.18 0.00 0.00 52.55 53.04 1xlf s ASP 299 Cb 0.12 -1.98 0.00 0.00 1.07 0.00 0.00 42.92 42.13 1xlf s ASP 299 CO 0.60 0.17 0.00 0.61 1.18 0.00 0.00 175.17 177.74 1xlf n GLY 300 N 0.38 -0.90 0.25 0.21 0.00 -1.26 -4.82 105.19 99.05 1xlf n GLY 300 Ca -0.06 -1.68 0.09 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.74 0.00 -0.31 1.61 0.05 -1.99 -1.09 116.97 114.49 1xlf h TYR 301 Ca 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 1xlf h TYR 301 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1xlf h TYR 301 CO 0.00 0.10 -0.15 -0.44 -1.05 0.00 0.00 178.16 176.62 1xlf h ASP 302 N 0.00 0.53 -0.28 3.88 3.32 -2.00 -2.06 116.42 119.81 1xlf h ASP 302 Ca -0.00 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 56.77 1xlf h ASP 302 Cb 0.20 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1xlf h ASP 302 CO 0.01 0.71 -0.26 1.23 -1.72 0.00 0.00 179.24 179.21 1xlf h GLY 303 N 0.96 0.84 0.69 2.75 0.00 -1.54 -1.11 103.07 105.65 1xlf h GLY 303 Ca 0.09 -0.74 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 1xlf h GLY 303 CO 0.04 0.68 -0.44 -2.08 0.00 0.00 0.00 176.54 174.73 1xlf h VAL 304 N 0.67 0.00 0.00 4.60 2.07 -0.88 0.23 116.25 122.94 1xlf h VAL 304 Ca 0.08 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 1xlf h VAL 304 Cb 0.78 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1xlf h VAL 304 CO 0.06 0.00 -0.24 -0.50 0.02 0.00 0.00 177.57 176.92 1xlf h TRP 305 N -1.06 0.00 -0.16 1.57 4.06 -1.51 -1.36 115.95 117.49 1xlf h TRP 305 Ca -0.09 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.84 1xlf h TRP 305 Cb 0.85 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.01 1xlf h TRP 305 CO -0.09 0.24 0.03 -0.44 -3.56 0.00 0.00 178.44 174.61 1xlf h ASP 306 N 0.00 0.24 -0.61 -3.49 3.32 -0.89 -2.38 116.42 112.61 1xlf h ASP 306 Ca -0.00 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1xlf h ASP 306 Cb 0.44 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1xlf h ASP 306 CO 0.03 0.42 0.35 0.77 -1.72 0.00 0.00 179.24 179.10 1xlf h SER 307 N 0.05 0.75 -0.64 6.45 4.64 -0.01 -0.36 113.55 124.42 1xlf h SER 307 Ca 0.05 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 1xlf h SER 307 Cb 0.28 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 1xlf h SER 307 CO 0.00 0.61 0.24 0.00 -0.87 0.00 0.00 176.83 176.80 1xlf h ALA 308 N 1.17 1.15 -0.33 5.18 0.00 -1.16 -2.44 119.26 122.83 1xlf h ALA 308 Ca 0.22 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1xlf h ALA 308 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1xlf h ALA 308 CO -0.04 0.60 -0.01 0.87 0.00 0.00 0.00 179.25 180.67 1xlf h LYS 309 N 0.98 0.59 -0.73 0.00 1.79 -1.06 -3.16 116.57 114.98 1xlf h LYS 309 Ca 0.22 -0.19 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1xlf h LYS 309 Cb 0.24 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.80 1xlf h LYS 309 CO -0.01 0.72 0.44 0.00 -1.08 0.00 0.00 179.45 179.52 1xlf h ALA 310 N 0.85 1.39 -0.48 3.86 0.00 -0.92 0.13 119.26 124.08 1xlf h ALA 310 Ca 0.09 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1xlf h ALA 310 Cb 0.46 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1xlf h ALA 310 CO 0.02 0.52 0.27 -0.91 0.00 0.00 0.00 179.25 179.15 1xlf h ASN 311 N 1.01 0.41 -0.23 0.00 2.35 -1.40 -2.12 115.58 115.59 1xlf h ASN 311 Ca 0.26 0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.88 1xlf h ASN 311 Cb -0.03 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1xlf h ASN 311 CO -0.05 0.29 -0.42 0.24 -1.65 0.00 0.00 177.43 175.84 1xlf h MET 312 N 0.53 0.69 0.17 0.81 2.86 -1.54 -2.57 114.93 115.88 1xlf h MET 312 Ca 0.20 -0.43 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1xlf h MET 312 Cb 0.07 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1xlf h MET 312 CO -0.12 1.05 -0.08 0.77 1.06 0.00 0.00 176.91 179.59 1xlf h SER 313 N 0.40 -0.19 -0.08 1.22 0.02 -0.80 -1.08 113.55 113.04 1xlf h SER 313 Ca 0.01 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1xlf h SER 313 Cb 1.02 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.56 1xlf h SER 313 CO 0.09 -0.05 -0.23 0.24 -1.14 0.00 0.00 176.83 175.75 1xlf h MET 314 N -0.33 -0.30 -0.73 3.45 2.07 -1.47 0.28 114.93 117.90 1xlf h MET 314 Ca -0.02 0.02 -0.01 0.00 -2.07 0.00 0.00 59.70 57.62 1xlf h MET 314 Cb 0.26 0.07 -0.04 0.00 -1.87 0.00 0.00 31.60 30.02 1xlf h MET 314 CO 0.04 -0.20 0.43 -0.92 1.07 0.00 0.00 176.91 177.33 1xlf h TYR 315 N -0.31 0.98 -0.24 -0.22 5.03 -1.42 -1.52 116.97 119.27 1xlf h TYR 315 Ca 0.08 -0.01 -0.16 0.00 2.58 0.00 0.00 58.73 61.22 1xlf h TYR 315 Cb 0.44 -0.32 -0.00 0.00 1.55 0.00 0.00 36.73 38.39 1xlf h TYR 315 CO -0.30 0.67 -0.52 -0.07 -1.32 0.00 0.00 178.16 176.62 1xlf h LEU 316 N 1.00 0.74 -0.64 2.82 3.38 -0.29 -1.96 115.31 120.37 1xlf h LEU 316 Ca 0.26 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1xlf h LEU 316 Cb -0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1xlf h LEU 316 CO -0.05 1.12 0.39 -0.07 0.09 0.00 0.00 178.44 179.92 1xlf h LEU 317 N 0.52 0.76 -0.54 1.67 3.38 -0.27 -2.73 115.31 118.11 1xlf h LEU 317 Ca 0.02 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1xlf h LEU 317 Cb 1.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1xlf h LEU 317 CO 0.10 0.59 -0.19 -0.07 0.09 0.00 0.00 178.44 178.97 1xlf h LEU 318 N 0.87 1.00 -0.42 1.67 3.38 -1.26 -2.86 115.31 117.69 1xlf h LEU 318 Ca 0.23 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1xlf h LEU 318 Cb -0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 1xlf h LEU 318 CO -0.04 1.16 0.17 0.50 0.09 0.00 0.00 178.44 180.32 1xlf h LYS 319 N 0.86 0.35 0.15 1.13 3.64 -1.21 -0.35 116.57 121.14 1xlf h LYS 319 Ca 0.12 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1xlf h LYS 319 Cb 0.76 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 1xlf h LYS 319 CO 0.06 0.23 -0.24 1.49 -2.27 0.00 0.00 179.45 178.72 1xlf h GLU 320 N 0.36 -0.45 -0.43 1.90 4.81 -1.47 0.12 114.58 119.41 1xlf h GLU 320 Ca 0.19 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.35 1xlf h GLU 320 Cb 0.14 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1xlf h GLU 320 CO -0.17 -0.30 -0.14 0.00 -0.73 0.00 0.00 179.01 177.67 1xlf h ARG 321 N -0.46 0.80 -0.02 1.92 3.08 -1.39 -0.95 114.38 117.36 1xlf h ARG 321 Ca 0.02 -0.28 -0.15 0.00 0.07 0.00 0.00 59.98 59.64 1xlf h ARG 321 Cb 0.47 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1xlf h ARG 321 CO -0.11 0.89 -0.66 0.00 -1.07 0.00 0.00 179.97 179.02 1xlf h ALA 322 N 1.13 0.84 -0.14 0.04 0.00 -0.92 -1.70 119.26 118.51 1xlf h ALA 322 Ca 0.11 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1xlf h ALA 322 Cb 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1xlf h ALA 322 CO 0.04 0.80 -0.28 -0.07 0.00 0.00 0.00 179.25 179.74 1xlf h LEU 323 N 0.08 0.50 -1.17 0.00 3.38 -0.41 -2.83 115.31 114.86 1xlf h LEU 323 Ca -0.01 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 1xlf h LEU 323 Cb 1.18 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 1xlf h LEU 323 CO 0.09 0.96 0.42 0.00 0.09 0.00 0.00 178.44 180.00 1xlf h ALA 324 N 0.55 1.37 -0.08 1.53 0.00 -1.03 -2.63 119.26 118.97 1xlf h ALA 324 Ca 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1xlf h ALA 324 Cb 0.87 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xlf h ALA 324 CO 0.06 0.53 0.03 0.35 0.00 0.00 0.00 179.25 180.22 1xlf h PHE 325 N 1.01 0.13 0.00 0.00 3.57 -1.34 -2.33 116.94 117.98 1xlf h PHE 325 Ca 0.26 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 1xlf h PHE 325 Cb -0.01 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1xlf h PHE 325 CO 0.00 0.27 -0.22 0.00 -2.23 0.00 0.00 178.31 176.14 1xlf h ARG 326 N -0.04 0.00 0.00 1.11 2.47 -1.42 -3.17 114.38 113.33 1xlf h ARG 326 Ca 0.03 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.64 1xlf h ARG 326 Cb 0.20 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 1xlf h ARG 326 CO -0.00 0.22 -0.53 0.00 0.56 0.00 0.00 179.97 180.21 1xlf h ALA 327 N 1.78 0.74 -2.42 0.04 0.00 -1.41 -3.44 119.26 114.56 1xlf h ALA 327 Ca -0.00 -0.48 -0.54 0.00 0.00 0.00 0.00 54.91 53.89 1xlf h ALA 327 Cb 1.01 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.74 1xlf h ALA 327 CO 0.03 0.66 1.02 0.34 0.00 0.00 0.00 179.25 181.30 1xlf s ASP 328 N -6.49 6.60 0.38 0.00 -1.08 -0.88 -4.91 116.67 110.29 1xlf s ASP 328 Ca 0.02 2.46 0.18 0.00 -0.52 0.00 0.00 52.55 54.69 1xlf s ASP 328 Cb 0.09 -2.56 0.72 0.00 -1.46 0.00 0.00 42.92 39.71 1xlf s ASP 328 CO 0.74 -0.90 1.76 1.55 0.52 0.00 0.00 175.17 178.84 1xlf h PRO 329 N 8.62 0.00 -0.40 4.34 0.13 -1.90 -1.10 132.00 141.70 1xlf h PRO 329 Ca -0.42 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 1xlf h PRO 329 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1xlf h PRO 329 CO 0.93 0.38 -0.15 0.93 -0.23 0.00 0.00 178.00 179.86 1xlf h GLU 330 N 0.00 0.74 -0.37 0.86 5.08 -1.96 -2.49 114.58 116.44 1xlf h GLU 330 Ca -0.00 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.01 1xlf h GLU 330 Cb 0.84 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1xlf h GLU 330 CO 0.05 0.85 -0.12 0.28 -1.00 0.00 0.00 179.01 179.07 1xlf h VAL 331 N 0.66 1.28 -0.45 3.13 2.07 -1.52 -1.48 116.25 119.94 1xlf h VAL 331 Ca 0.11 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.43 1xlf h VAL 331 Cb 0.63 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1xlf h VAL 331 CO 0.04 0.40 0.28 1.56 0.02 0.00 0.00 177.57 179.87 1xlf h GLN 332 N 0.53 0.55 -0.34 1.57 4.20 -1.18 0.36 115.11 120.80 1xlf h GLN 332 Ca 0.09 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 1xlf h GLN 332 Cb 0.64 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1xlf h GLN 332 CO 0.04 0.36 -0.16 1.49 -0.67 0.00 0.00 178.83 179.90 1xlf h GLU 333 N 0.56 0.71 -0.19 1.46 4.81 -1.42 -2.00 114.58 118.51 1xlf h GLU 333 Ca 0.17 -0.31 0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1xlf h GLU 333 Cb -0.02 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1xlf h GLU 333 CO -0.06 0.91 -0.02 0.00 -0.73 0.00 0.00 179.01 179.10 1xlf h ALA 334 N 0.78 0.15 -0.83 2.92 0.00 -0.91 -0.65 119.26 120.71 1xlf h ALA 334 Ca 0.08 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1xlf h ALA 334 Cb 0.69 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 1xlf h ALA 334 CO 0.05 -0.46 0.48 0.52 0.00 0.00 0.00 179.25 179.84 1xlf h MET 335 N 0.03 0.79 -0.10 0.00 2.86 -0.19 -1.81 114.93 116.51 1xlf h MET 335 Ca 0.09 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1xlf h MET 335 Cb 0.13 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 1xlf h MET 335 CO -0.17 0.52 -0.02 -0.22 1.06 0.00 0.00 176.91 178.07 1xlf h LYS 336 N 0.81 0.20 -0.73 1.72 3.64 -0.88 -2.11 116.57 119.22 1xlf h LYS 336 Ca 0.40 -0.08 0.11 0.00 -1.27 0.00 0.00 60.65 59.81 1xlf h LYS 336 Cb 0.35 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.08 1xlf h LYS 336 CO -0.24 0.51 0.34 1.15 -2.27 0.00 0.00 179.45 178.94 1xlf h THR 337 N -0.12 0.78 0.00 1.00 2.02 -0.58 -2.48 112.91 113.54 1xlf h THR 337 Ca 0.03 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1xlf h THR 337 Cb 0.43 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1xlf h THR 337 CO 0.01 0.10 0.00 -1.20 0.37 0.00 0.00 175.52 174.80 1xlf n SER 338 N -4.91 0.00 0.00 4.18 7.64 -0.73 -4.88 113.62 114.92 1xlf n SER 338 Ca 0.12 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.36 1xlf n SER 338 Cb 0.32 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 0.39 0.59 0.34 0.23 0.00 -0.93 -4.97 105.19 100.84 1xlf n GLY 339 Ca 0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 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 1.17 0.06 1.61 2.07 -1.61 -1.94 116.25 117.61 1xlf h VAL 340 Ca 0.00 -0.40 -0.27 0.00 0.82 0.00 0.00 66.70 66.86 1xlf h VAL 340 Cb 0.00 -0.08 0.02 0.00 -1.52 0.00 0.00 31.29 29.71 1xlf h VAL 340 CO 0.00 0.21 -1.11 -0.26 0.02 0.00 0.00 177.57 176.43 1xlf h PHE 341 N 1.15 0.87 -0.56 1.57 0.04 -1.88 -3.29 116.94 114.85 1xlf h PHE 341 Ca 0.35 -0.51 0.09 0.00 2.80 0.00 0.00 57.97 60.70 1xlf h PHE 341 Cb -0.04 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.00 1xlf h PHE 341 CO -0.01 1.35 0.37 1.49 -0.60 0.00 0.00 178.31 180.91 1xlf h GLU 342 N 0.28 0.37 0.00 1.51 4.81 -1.75 -1.61 114.58 118.19 1xlf h GLU 342 Ca -0.14 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1xlf h GLU 342 Cb 1.77 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.07 1xlf h GLU 342 CO 0.21 0.24 -0.05 1.25 -0.73 0.00 0.00 179.01 179.93 1xlf h LEU 343 N 0.38 0.00 -0.75 1.64 5.85 -1.44 -0.63 115.31 120.36 1xlf h LEU 343 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1xlf h LEU 343 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1xlf h LEU 343 CO -0.07 0.05 0.00 1.23 -0.34 0.00 0.00 178.44 179.31 1xlf h GLY 344 N 0.33 0.00 -3.65 3.75 0.00 -1.45 -3.45 103.07 98.61 1xlf h GLY 344 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1xlf h GLY 344 CO 0.01 0.00 0.34 -0.54 0.00 0.00 0.00 176.54 176.34 1xlf s GLU 345 N -3.40 4.79 0.70 4.80 2.02 -0.24 -5.01 118.70 122.36 1xlf s GLU 345 Ca 0.05 1.44 -0.15 0.00 0.02 0.00 0.00 54.97 56.32 1xlf s GLU 345 Cb 0.09 -3.19 0.02 0.00 0.10 0.00 0.00 34.13 31.15 1xlf s GLU 345 CO 0.53 0.48 1.17 0.95 0.02 0.00 0.00 175.26 178.41 1xlf s THR 346 N -1.26 2.66 0.03 3.63 -4.23 -1.26 -4.92 115.64 110.30 1xlf s THR 346 Ca 0.42 0.32 -0.20 0.00 -1.18 0.00 0.00 61.69 61.05 1xlf s THR 346 Cb -0.24 -2.87 -0.15 0.00 1.34 0.00 0.00 72.50 70.57 1xlf s THR 346 CO 0.30 -0.18 1.31 0.74 -0.54 0.00 0.00 174.62 176.25 1xlf h THR 347 N -0.12 1.36 -3.52 3.99 2.02 -1.95 -3.44 112.91 111.25 1xlf h THR 347 Ca -0.47 -1.42 -0.52 0.00 0.77 0.00 0.00 66.41 64.76 1xlf h THR 347 Cb 1.28 1.98 -0.03 0.00 -1.74 0.00 0.00 68.15 69.63 1xlf h THR 347 CO 0.51 0.42 0.01 -0.76 0.37 0.00 0.00 175.52 176.07 1xlf s LEU 348 N -8.99 4.22 0.54 2.58 1.43 -1.26 -5.07 118.68 112.13 1xlf s LEU 348 Ca -0.14 1.18 -0.16 0.00 -1.03 0.00 0.00 54.13 53.97 1xlf s LEU 348 Cb 0.05 -3.68 -0.06 0.00 0.03 0.00 0.00 46.19 42.53 1xlf s LEU 348 CO 0.76 -0.04 1.02 0.20 0.23 0.00 0.00 176.35 178.51 1xlf s ASN 349 N -2.01 6.26 0.07 2.29 0.01 -1.26 -4.92 114.94 115.38 1xlf s ASN 349 Ca 0.46 1.69 -0.35 0.00 -0.71 0.00 0.00 52.86 53.96 1xlf s ASN 349 Cb -0.13 -2.52 -0.14 0.00 0.41 0.00 0.00 41.25 38.87 1xlf s ASN 349 CO 0.19 -0.84 1.64 0.00 -1.51 0.00 0.00 177.10 176.59 1xlf n ALA 350 N -1.72 0.91 0.00 0.60 0.00 -1.26 0.20 120.51 119.24 1xlf n ALA 350 Ca 0.08 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1xlf n ALA 350 Cb 0.53 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 3.62 2.81 3.77 0.00 0.00 -1.26 -5.03 105.19 109.09 1xlf n GLY 351 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.30 4.27 0.43 1.61 2.12 0.13 -5.03 118.70 121.94 1xlf s GLU 352 Ca 0.00 2.16 0.08 0.00 0.36 0.00 0.00 54.97 57.56 1xlf s GLU 352 Cb 0.00 -2.99 -0.01 0.00 0.26 0.00 0.00 34.13 31.39 1xlf s GLU 352 CO 0.00 -0.23 0.43 -1.54 -0.54 0.00 0.00 175.26 173.38 1xlf s SER 353 N -0.60 5.14 0.14 -1.70 1.04 -1.26 -4.82 113.70 111.64 1xlf s SER 353 Ca 0.51 -0.72 -0.18 0.00 0.48 0.00 0.00 55.95 56.04 1xlf s SER 353 Cb -0.38 -0.49 0.01 0.00 0.10 0.00 0.00 66.02 65.26 1xlf s SER 353 CO 0.51 -0.73 1.72 0.00 0.98 0.00 0.00 173.24 175.72 1xlf h ALA 354 N 0.90 0.26 0.10 5.32 0.00 -2.00 -1.08 119.26 122.76 1xlf h ALA 354 Ca -0.40 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1xlf h ALA 354 Cb 1.27 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1xlf h ALA 354 CO 0.54 -0.39 -0.06 0.00 0.00 0.00 0.00 179.25 179.35 1xlf h ALA 355 N 1.21 -0.14 -0.66 0.00 0.00 -2.00 -1.13 119.26 116.55 1xlf h ALA 355 Ca 0.13 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1xlf h ALA 355 Cb 0.15 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 1xlf h ALA 355 CO -0.19 -0.58 -0.42 -0.44 0.00 0.00 0.00 179.25 177.62 1xlf h ASP 356 N -0.15 -1.51 -0.88 0.00 3.32 -1.69 0.19 116.42 115.70 1xlf h ASP 356 Ca -0.01 0.23 0.08 0.00 0.02 0.00 0.00 57.03 57.35 1xlf h ASP 356 Cb 0.13 0.66 -0.07 0.00 0.22 0.00 0.00 39.33 40.27 1xlf h ASP 356 CO 0.01 -0.18 0.53 0.25 -1.72 0.00 0.00 179.24 178.13 1xlf h LEU 357 N -0.03 0.80 -0.60 1.55 5.85 -1.05 -0.50 115.31 121.32 1xlf h LEU 357 Ca 0.11 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.95 1xlf h LEU 357 Cb 0.31 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 1xlf h LEU 357 CO -0.64 0.48 0.23 0.24 -0.34 0.00 0.00 178.44 178.41 1xlf h MET 358 N 0.92 0.40 0.00 1.25 2.86 0.68 -1.76 114.93 119.27 1xlf h MET 358 Ca 0.40 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 1xlf h MET 358 Cb 0.29 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1xlf h MET 358 CO -0.22 0.26 0.00 0.09 1.06 0.00 0.00 176.91 178.11 1xlf n ASN 359 N -4.99 0.00 -4.58 1.22 3.02 -0.88 -4.70 115.26 104.35 1xlf n ASN 359 Ca 0.08 0.44 -0.42 0.00 -0.03 0.00 0.00 54.58 54.65 1xlf n ASN 359 Cb 0.27 -0.48 -0.02 0.00 -0.61 0.00 0.00 39.78 38.94 1xlf n ASN 359 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xlf s ASP 360 N -2.96 6.37 0.27 6.41 2.15 -0.24 -4.90 116.67 123.76 1xlf s ASP 360 Ca 0.14 0.10 -0.02 0.00 0.43 0.00 0.00 52.55 53.20 1xlf s ASP 360 Cb 0.18 -2.55 0.46 0.00 -0.30 0.00 0.00 42.92 40.70 1xlf s ASP 360 CO 0.48 -1.55 1.84 -1.28 -0.17 0.00 0.00 175.17 174.49 1xlf h SER 361 N 9.87 0.89 0.41 -0.34 0.87 -1.86 -2.15 113.55 121.24 1xlf h SER 361 Ca -0.26 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.32 1xlf h SER 361 Cb 1.06 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1xlf h SER 361 CO 1.19 0.51 -0.11 0.00 -0.53 0.00 0.00 176.83 177.90 1xlf h ALA 362 N 1.49 1.24 -0.01 6.23 0.00 -1.90 1.21 119.26 127.51 1xlf h ALA 362 Ca 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1xlf h ALA 362 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xlf h ALA 362 CO -0.23 0.13 -0.36 0.43 0.00 0.00 0.00 179.25 179.23 1xlf n SER 363 N -3.56 1.70 0.00 0.00 7.64 -0.81 -3.82 113.62 114.76 1xlf n SER 363 Ca -0.02 -1.32 0.00 0.00 1.01 0.00 0.00 58.87 58.54 1xlf n SER 363 Cb 0.24 0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1xlf n SER 363 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1xlf n PHE 364 N -0.17 0.00 -0.28 1.43 7.35 -1.09 -4.81 117.46 119.89 1xlf n PHE 364 Ca 0.11 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.73 1xlf n PHE 364 Cb 0.43 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.24 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 0.88 -0.20 -0.35 3.13 0.00 -1.74 -1.37 119.26 119.60 1xlf h ALA 365 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xlf h ALA 365 Cb 0.00 1.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1xlf h ALA 365 CO 0.00 -0.78 0.00 0.41 0.00 0.00 0.00 179.25 178.88 1xlf n GLY 366 N -1.41 1.01 3.75 0.00 0.00 0.41 -4.96 105.19 103.99 1xlf n GLY 366 Ca 0.04 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.58 3.44 -0.77 1.61 5.36 -0.52 -4.81 117.98 120.72 1xlf s PHE 367 Ca 0.25 1.50 -0.17 0.00 -0.96 0.00 0.00 56.93 57.55 1xlf s PHE 367 Cb 0.14 -3.41 0.15 0.00 -0.34 0.00 0.00 43.02 39.56 1xlf s PHE 367 CO 0.15 -1.06 0.86 0.34 -1.46 0.00 0.00 175.22 174.05 1xlf s ASP 368 N -0.22 6.50 0.17 6.13 2.15 -1.26 -4.85 116.67 125.29 1xlf s ASP 368 Ca 0.50 -2.01 -0.12 0.00 0.43 0.00 0.00 52.55 51.36 1xlf s ASP 368 Cb -0.33 -2.31 0.07 0.00 -0.30 0.00 0.00 42.92 40.05 1xlf s ASP 368 CO 0.39 -0.94 1.71 0.00 -0.17 0.00 0.00 175.17 176.16 1xlf h ALA 369 N 8.65 0.76 -0.76 3.66 0.00 -1.96 -0.28 119.26 129.34 1xlf h ALA 369 Ca -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1xlf h ALA 369 Cb 1.05 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1xlf h ALA 369 CO 1.00 0.41 0.39 0.93 0.00 0.00 0.00 179.25 181.98 1xlf h GLU 370 N 0.82 1.08 -0.11 0.00 4.39 -1.99 -1.51 114.58 117.25 1xlf h GLU 370 Ca 0.19 -0.14 -0.17 0.00 0.34 0.00 0.00 59.36 59.58 1xlf h GLU 370 Cb 0.26 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1xlf h GLU 370 CO -0.01 0.82 -0.59 0.00 -1.16 0.00 0.00 179.01 178.07 1xlf h ALA 371 N 1.20 0.23 -0.58 3.43 0.00 -1.83 -3.19 119.26 118.52 1xlf h ALA 371 Ca 0.26 -0.54 0.06 0.00 0.00 0.00 0.00 54.91 54.70 1xlf h ALA 371 Cb 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1xlf h ALA 371 CO -0.04 0.47 0.38 0.00 0.00 0.00 0.00 179.25 180.07 1xlf h ALA 372 N 0.49 1.84 0.00 0.00 0.00 -0.75 -1.96 119.26 118.88 1xlf h ALA 372 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xlf h ALA 372 Cb 1.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xlf h ALA 372 CO 0.12 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1xlf n ALA 373 N -2.49 1.39 0.10 0.00 0.00 -0.60 -2.70 120.51 116.22 1xlf n ALA 373 Ca 0.08 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.55 1xlf n ALA 373 Cb 0.24 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 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 -5.85 0.00 4.39 -1.46 -3.47 114.58 108.19 1xlf h GLU 374 Ca 0.00 0.00 -0.81 0.00 0.34 0.00 0.00 59.36 58.89 1xlf h GLU 374 Cb 0.06 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1xlf h GLU 374 CO 0.00 0.19 0.33 -2.13 -1.16 0.00 0.00 179.01 176.24 1xlf n ARG 375 N -2.89 0.00 -2.91 2.33 0.63 -1.10 -4.88 116.66 107.84 1xlf n ARG 375 Ca -0.03 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.47 1xlf n ARG 375 Cb 0.69 -1.46 -0.05 0.00 0.45 0.00 0.00 32.46 32.08 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 1.29 6.41 0.49 6.15 2.47 -1.26 -4.91 114.94 125.58 1xlf s ASN 376 Ca 0.95 -0.15 0.29 0.00 0.42 0.00 0.00 52.86 54.37 1xlf s ASN 376 Cb -1.34 -2.41 0.95 0.00 -1.45 0.00 0.00 41.25 37.01 1xlf s ASN 376 CO 0.66 -1.02 1.83 -0.26 -3.72 0.00 0.00 177.10 174.59 1xlf h PHE 377 N 9.09 0.00 -5.90 0.43 -1.00 -1.90 -3.47 116.94 114.19 1xlf h PHE 377 Ca -0.25 0.00 -0.41 0.00 2.81 0.00 0.00 57.97 60.12 1xlf h PHE 377 Cb 1.08 0.00 0.10 0.00 3.61 0.00 0.00 35.95 40.74 1xlf h PHE 377 CO 0.84 0.00 -0.69 0.00 -1.61 0.00 0.00 178.31 176.85 1xlf n ALA 378 N -2.08 -1.29 0.09 2.45 0.00 -1.26 -3.83 120.51 114.59 1xlf n ALA 378 Ca 0.02 0.37 -0.05 0.00 0.00 0.00 0.00 53.44 53.78 1xlf n ALA 378 Cb 0.39 -5.31 0.12 0.00 0.00 0.00 0.00 19.45 14.66 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 -2.56 0.28 -0.09 0.00 0.04 -1.95 -2.58 116.94 110.07 1xlf h PHE 379 Ca -0.57 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.08 1xlf h PHE 379 Cb 1.37 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 39.47 1xlf h PHE 379 CO 0.51 0.77 0.00 0.82 -0.60 0.00 0.00 178.31 179.82 1xlf h ILE 380 N 0.16 1.25 -0.35 -0.55 2.04 -1.99 0.12 117.51 118.20 1xlf h ILE 380 Ca -0.01 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1xlf h ILE 380 Cb 1.11 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1xlf h ILE 380 CO 0.09 0.22 0.22 -0.09 0.00 0.00 0.00 178.15 178.59 1xlf h ARG 381 N -0.12 0.47 -0.80 2.37 2.43 -1.94 -0.25 114.38 116.54 1xlf h ARG 381 Ca 0.03 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1xlf h ARG 381 Cb 0.34 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 1xlf h ARG 381 CO 0.00 0.34 0.48 1.25 -1.51 0.00 0.00 179.97 180.53 1xlf h LEU 382 N 0.46 0.75 -0.54 3.80 5.85 -1.35 -1.49 115.31 122.79 1xlf h LEU 382 Ca 0.13 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1xlf h LEU 382 Cb -0.02 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1xlf h LEU 382 CO -0.03 0.48 -0.05 -1.13 -0.34 0.00 0.00 178.44 177.37 1xlf h ASN 383 N 0.88 0.97 -0.99 1.25 -1.24 -0.08 -2.67 115.58 113.70 1xlf h ASN 383 Ca 0.35 -0.33 0.06 0.00 0.71 0.00 0.00 56.30 57.09 1xlf h ASN 383 Cb 0.18 -0.26 -0.07 0.00 0.73 0.00 0.00 38.32 38.90 1xlf h ASN 383 CO -0.18 1.07 0.64 -0.61 -1.29 0.00 0.00 177.43 177.07 1xlf h GLN 384 N 0.86 1.14 -0.50 6.67 5.75 -0.23 -2.15 115.11 126.65 1xlf h GLN 384 Ca 0.14 -0.07 -0.11 0.00 -0.15 0.00 0.00 58.65 58.46 1xlf h GLN 384 Cb 0.61 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 1xlf h GLN 384 CO 0.04 0.76 -0.14 -0.07 -2.65 0.00 0.00 178.83 176.76 1xlf h LEU 385 N 1.18 0.96 -0.14 -2.39 3.38 -1.14 -1.98 115.31 115.18 1xlf h LEU 385 Ca 0.42 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1xlf h LEU 385 Cb 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1xlf h LEU 385 CO -0.16 1.10 0.06 0.00 0.09 0.00 0.00 178.44 179.52 1xlf h ALA 386 N 0.98 0.19 -0.86 1.53 0.00 -1.09 -2.52 119.26 117.49 1xlf h ALA 386 Ca 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xlf h ALA 386 Cb 0.69 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1xlf h ALA 386 CO 0.05 -0.22 0.49 0.82 0.00 0.00 0.00 179.25 180.39 1xlf h ILE 387 N 0.07 1.25 -0.28 0.00 1.08 -1.37 -0.55 117.51 117.71 1xlf h ILE 387 Ca 0.05 -0.59 -0.07 0.00 -0.39 0.00 0.00 64.86 63.86 1xlf h ILE 387 Cb 0.18 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.99 1xlf h ILE 387 CO -0.00 0.27 -0.13 -0.33 -0.69 0.00 0.00 178.15 177.27 1xlf h GLU 388 N 1.19 0.47 -0.48 2.37 5.08 -1.24 0.41 114.58 122.38 1xlf h GLU 388 Ca 0.30 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1xlf h GLU 388 Cb 0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1xlf h GLU 388 CO -0.05 0.60 0.05 0.45 -1.00 0.00 0.00 179.01 179.06 1xlf h HIS 389 N 0.44 0.87 -0.32 4.33 3.86 -0.96 -2.06 115.15 121.29 1xlf h HIS 389 Ca 0.08 -0.13 -0.12 0.00 -1.16 0.00 0.00 60.37 59.04 1xlf h HIS 389 Cb 0.49 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1xlf h HIS 389 CO 0.02 0.81 -0.30 1.25 0.86 0.00 0.00 177.93 180.57 1xlf h LEU 390 N 0.67 0.70 0.00 2.43 5.85 -0.30 -2.97 115.31 121.69 1xlf h LEU 390 Ca 0.14 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1xlf h LEU 390 Cb 0.43 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1xlf h LEU 390 CO 0.01 0.96 0.00 0.18 -0.34 0.00 0.00 178.44 179.25 1xlf n LEU 391 N -4.08 0.00 -1.16 2.25 4.77 0.14 -4.89 117.00 114.03 1xlf n LEU 391 Ca -0.01 0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1xlf n LEU 391 Cb 0.46 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1xlf n LEU 391 CO 0.45 -0.00 -0.13 0.61 -1.33 0.00 0.00 177.39 176.98 1xlf n GLY 392 N 0.93 0.27 0.09 -0.72 0.00 -1.08 -4.92 105.19 99.77 1xlf n GLY 392 Ca 0.23 -0.45 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 1xlf n GLY 392 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1xlf h SER 393 N 0.00 0.00 -0.02 1.61 0.87 -1.62 -3.49 113.55 110.89 1xlf h SER 393 Ca -0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1xlf h SER 393 Cb 1.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1xlf h SER 393 CO 0.32 0.76 0.00 0.54 -0.53 0.00 0.00 176.83 177.92