#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ils s LYS 1846N 0.00 4.32 0.27 3.23 2.20 -1.26 -4.95 119.74 123.55 3ils s LYS 1846Ca 0.00 2.26 -0.30 0.00 -0.36 0.00 0.00 55.97 57.56 3ils s LYS 1846Cb 0.00 -3.08 -0.11 0.00 -1.51 0.00 0.00 37.83 33.13 3ils s LYS 1846CO 0.00 -0.28 1.58 -2.14 -0.36 0.00 0.00 175.35 174.15 3ils s PRO 1847N -1.35 4.15 0.10 4.03 0.02 -1.26 -4.98 135.00 135.72 3ils s PRO 1847Ca 0.52 2.52 0.05 0.00 0.02 0.00 0.00 61.00 64.12 3ils s PRO 1847Cb -0.41 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.02 3ils s PRO 1847CO 0.50 -0.60 -0.01 -0.47 -0.33 0.00 0.00 177.00 176.09 3ils s TYR 1848N 0.16 2.96 -0.20 6.54 5.04 -1.26 -4.85 117.35 125.73 3ils s TYR 1848Ca 0.64 -0.05 -0.15 0.00 -2.44 0.00 0.00 57.07 55.07 3ils s TYR 1848Cb -0.47 -1.51 0.06 0.00 0.35 0.00 0.00 41.96 40.39 3ils s TYR 1848CO 0.45 0.48 0.52 0.00 -1.34 0.00 0.00 175.55 175.65 3ils n ARG 1850N 3.47 1.17 -1.34 0.00 1.74 -1.26 -4.93 116.66 115.51 3ils n ARG 1850Ca -0.17 0.44 -0.32 0.00 -0.77 0.00 0.00 57.85 57.03 3ils n ARG 1850Cb 0.56 -2.36 0.09 0.00 -1.02 0.00 0.00 32.46 29.74 3ils n ARG 1850CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3ils s PRO 1851N -2.92 2.18 0.16 5.56 0.04 -1.26 -4.87 135.00 133.88 3ils s PRO 1851Ca 0.76 1.40 0.04 0.00 0.04 0.00 0.00 61.00 63.25 3ils s PRO 1851Cb -0.41 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 3ils s PRO 1851CO 0.46 -1.73 0.18 -1.12 0.04 0.00 0.00 177.00 174.83 3ils s SER 1852N -2.79 5.78 0.32 6.66 0.01 -1.26 -4.69 113.70 117.72 3ils s SER 1852Ca 0.66 -0.03 0.09 0.00 1.31 0.00 0.00 55.95 57.98 3ils s SER 1852Cb -0.21 -1.59 -0.05 0.00 0.21 0.00 0.00 66.02 64.38 3ils s SER 1852CO 0.50 0.07 0.03 0.42 0.41 0.00 0.00 173.24 174.67 3ils s THR 1853N -1.74 2.94 0.14 1.44 -4.23 -1.26 -4.78 115.64 108.14 3ils s THR 1853Ca 0.32 -1.91 -0.14 0.00 -1.18 0.00 0.00 61.69 58.78 3ils s THR 1853Cb -0.10 -2.83 0.02 0.00 1.34 0.00 0.00 72.50 70.93 3ils s THR 1853CO 0.25 -0.25 0.37 -0.94 -0.54 0.00 0.00 174.62 173.51 3ils s SER 1854N -3.73 -0.13 0.03 3.99 1.04 -1.26 -1.34 113.70 112.29 3ils s SER 1854Ca 0.34 -0.49 -0.02 0.00 0.48 0.00 0.00 55.95 56.26 3ils s SER 1854Cb -0.03 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 3ils s SER 1854CO 0.20 -0.88 0.02 0.68 0.98 0.00 0.00 173.24 174.25 3ils s VAL 1855N -3.85 0.13 -0.22 5.02 -7.23 -0.56 -4.98 120.40 108.72 3ils s VAL 1855Ca 0.07 -1.07 -0.24 0.00 -1.81 0.00 0.00 61.98 58.92 3ils s VAL 1855Cb 0.02 -0.64 -0.01 0.00 0.56 0.00 0.00 36.38 36.31 3ils s VAL 1855CO -0.08 -0.59 0.80 -0.69 -0.31 0.00 0.00 175.10 174.23 3ils s VAL 1856N -2.12 4.87 -0.14 1.32 1.01 -1.26 -1.22 120.40 122.86 3ils s VAL 1856Ca -0.09 1.54 0.18 0.00 0.00 0.00 0.00 61.98 63.60 3ils s VAL 1856Cb -0.05 -4.10 -0.11 0.00 0.00 0.00 0.00 36.38 32.13 3ils s VAL 1856CO -0.03 -0.02 0.88 -0.07 0.00 0.00 0.00 175.10 175.86 3ils h LEU 1857N 8.81 0.00 -7.00 3.92 3.38 -1.22 -3.49 115.31 119.71 3ils h LEU 1857Ca -0.26 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.82 3ils h LEU 1857Cb 1.11 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.62 3ils h LEU 1857CO 0.85 0.48 0.61 0.00 0.09 0.00 0.00 178.44 180.46 3ils s GLN 1858N -3.00 0.51 0.50 1.13 -2.07 -1.14 -4.99 119.66 110.61 3ils s GLN 1858Ca -0.02 0.13 0.00 0.00 -1.82 0.00 0.00 55.36 53.65 3ils s GLN 1858Cb 0.09 0.24 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 3ils s GLN 1858CO 0.81 -0.16 0.00 0.41 -1.32 0.00 0.00 175.29 175.03 3ils n GLY 1859N 0.72 -2.27 2.69 2.60 0.00 -1.26 -0.47 105.19 107.19 3ils n GLY 1859Ca -0.09 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 3ils n GLY 1859CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ils s LEU 1860N 0.00 2.07 0.53 0.99 2.96 -1.26 -4.85 118.68 119.12 3ils s LEU 1860Ca 0.00 -1.88 -0.19 0.00 -0.22 0.00 0.00 54.13 51.84 3ils s LEU 1860Cb 0.00 -0.81 -0.10 0.00 0.50 0.00 0.00 46.19 45.78 3ils s LEU 1860CO 0.00 -0.37 0.54 -2.65 -1.32 0.00 0.00 176.35 172.55 3ils n PRO 1861N 4.52 0.56 0.00 0.98 -0.02 -1.26 -0.49 135.00 139.28 3ils n PRO 1861Ca 0.01 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3ils n PRO 1861Cb 0.40 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3ils n PRO 1861CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3ils n MET 1862N 0.11 0.00 0.12 -0.52 2.81 -1.26 -4.35 117.12 114.03 3ils n MET 1862Ca 0.11 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.76 3ils n MET 1862Cb 0.46 -0.13 -0.16 0.00 -0.71 0.00 0.00 33.22 32.68 3ils n MET 1862CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3ils h VAL 1863N 0.00 1.27 -4.12 2.03 2.07 -1.92 -3.45 116.25 112.13 3ils h VAL 1863Ca 0.00 -2.64 -0.52 0.00 0.82 0.00 0.00 66.70 64.36 3ils h VAL 1863Cb 0.00 3.03 0.11 0.00 -1.52 0.00 0.00 31.29 32.91 3ils h VAL 1863CO 0.00 0.80 0.43 0.00 0.02 0.00 0.00 177.57 178.82 3ils s ALA 1864N -2.57 2.52 0.27 1.67 0.00 0.35 -4.91 121.76 119.09 3ils s ALA 1864Ca -0.11 0.86 -0.04 0.00 0.00 0.00 0.00 51.96 52.67 3ils s ALA 1864Cb 0.04 -3.40 0.35 0.00 0.00 0.00 0.00 23.12 20.10 3ils s ALA 1864CO 0.92 -1.17 1.91 -0.09 0.00 0.00 0.00 175.76 177.33 3ils h ARG 1865N 0.67 1.13 -4.42 0.00 2.43 -1.83 -3.45 114.38 108.91 3ils h ARG 1865Ca -0.49 -0.11 -0.20 0.00 -0.81 0.00 0.00 59.98 58.37 3ils h ARG 1865Cb 1.28 -0.23 -0.17 0.00 -0.42 0.00 0.00 29.97 30.42 3ils h ARG 1865CO 0.55 0.80 -0.70 0.15 -1.51 0.00 0.00 179.97 179.26 3ils s LYS 1866N -5.82 0.62 -0.08 0.20 1.02 -1.14 -5.00 119.74 109.55 3ils s LYS 1866Ca -0.12 -1.06 0.01 0.00 0.02 0.00 0.00 55.97 54.82 3ils s LYS 1866Cb 0.17 -0.07 0.02 0.00 -0.52 0.00 0.00 37.83 37.43 3ils s LYS 1866CO 0.81 -0.03 -0.09 0.99 -0.92 0.00 0.00 175.35 176.10 3ils s THR 1867N -2.84 1.02 -0.28 2.17 2.01 -1.26 -1.13 115.64 115.33 3ils s THR 1867Ca 0.01 -0.36 -0.16 0.00 0.31 0.00 0.00 61.69 61.50 3ils s THR 1867Cb 0.00 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 3ils s THR 1867CO -0.04 0.35 0.43 -0.22 -0.69 0.00 0.00 174.62 174.44 3ils s LEU 1868N 1.17 4.09 -0.37 4.42 2.96 0.37 -4.13 118.68 127.20 3ils s LEU 1868Ca -0.05 0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 54.00 3ils s LEU 1868Cb -0.14 -2.50 -0.00 0.00 0.50 0.00 0.00 46.19 44.04 3ils s LEU 1868CO -0.02 -0.25 0.36 -0.36 -1.32 0.00 0.00 176.35 174.76 3ils s PHE 1869N 2.17 3.20 -0.20 5.38 0.08 -0.61 -0.93 117.98 127.07 3ils s PHE 1869Ca 0.17 -0.19 -0.13 0.00 0.12 0.00 0.00 56.93 56.90 3ils s PHE 1869Cb -0.16 -2.70 -0.05 0.00 -0.57 0.00 0.00 43.02 39.55 3ils s PHE 1869CO 0.10 -0.51 0.25 -1.64 -0.10 0.00 0.00 175.22 173.32 3ils s MET 1870N 1.98 4.16 0.20 0.44 -1.94 0.23 -1.60 119.30 122.79 3ils s MET 1870Ca 0.11 -0.05 -0.15 0.00 -1.71 0.00 0.00 55.69 53.89 3ils s MET 1870Cb -0.17 -3.49 -0.08 0.00 2.01 0.00 0.00 34.83 33.10 3ils s MET 1870CO 0.12 0.12 0.62 -0.51 -0.01 0.00 0.00 175.02 175.35 3ils s LEU 1871N 0.87 4.27 0.38 -0.03 2.01 -0.06 -1.73 118.68 124.38 3ils s LEU 1871Ca 0.13 1.16 -0.27 0.00 0.01 0.00 0.00 54.13 55.16 3ils s LEU 1871Cb -0.13 -3.53 -0.10 0.00 0.01 0.00 0.00 46.19 42.44 3ils s LEU 1871CO 0.04 0.01 1.42 -2.16 1.01 0.00 0.00 176.35 176.68 3ils s PRO 1872N -2.25 4.06 0.78 1.29 0.04 -1.25 -4.37 135.00 133.30 3ils s PRO 1872Ca 0.43 2.43 -0.06 0.00 0.04 0.00 0.00 61.00 63.84 3ils s PRO 1872Cb -0.14 -2.91 0.13 0.00 0.04 0.00 0.00 34.50 31.62 3ils s PRO 1872CO 0.20 -0.52 1.08 0.16 0.04 0.00 0.00 177.00 177.96 3ils s ASP 1873N -0.34 4.14 0.26 6.66 -4.77 -1.26 -3.13 116.67 118.23 3ils s ASP 1873Ca 0.54 -0.02 0.22 0.00 -3.30 0.00 0.00 52.55 49.99 3ils s ASP 1873Cb -0.44 -0.34 0.85 0.00 -1.09 0.00 0.00 42.92 41.90 3ils s ASP 1873CO 0.58 -2.02 0.81 0.61 0.70 0.00 0.00 175.17 175.85 3ils n GLY 1874N -3.09 -0.48 0.17 2.12 0.00 -1.26 -0.49 105.19 102.16 3ils n GLY 1874Ca 0.13 0.37 0.04 0.00 0.00 0.00 0.00 46.02 46.57 3ils n GLY 1874CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ils h GLY 1875N 0.00 0.00 0.00 -0.02 0.00 -1.90 -3.21 103.07 97.94 3ils h GLY 1875Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3ils h GLY 1875CO -0.10 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.05 3ils n GLY 1876N 0.44 0.73 3.35 4.60 0.00 0.35 -4.87 105.19 109.79 3ils n GLY 1876Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3ils n GLY 1876CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ils s SER 1877N -2.10 3.57 0.53 1.61 0.15 -1.26 -0.24 113.70 115.96 3ils s SER 1877Ca 0.00 -0.38 0.25 0.00 0.70 0.00 0.00 55.95 56.52 3ils s SER 1877Cb 0.00 -1.05 1.50 0.00 -1.71 0.00 0.00 66.02 64.75 3ils s SER 1877CO 0.00 0.25 2.13 0.00 1.20 0.00 0.00 173.24 176.82 3ils h ALA 1878N 6.05 1.50 0.00 5.45 0.00 -1.85 -2.84 119.26 127.56 3ils h ALA 1878Ca -0.34 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ils h ALA 1878Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3ils h ALA 1878CO 0.50 0.10 0.00 1.19 0.00 0.00 0.00 179.25 181.04 3ils n PHE 1879N -3.90 0.00 0.20 0.00 3.72 -1.26 -2.27 117.46 113.94 3ils n PHE 1879Ca -0.02 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.44 3ils n PHE 1879Cb 0.17 0.00 0.40 0.00 -0.94 0.00 0.00 39.48 39.11 3ils n PHE 1879CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3ils h SER 1880N 0.00 0.00 -0.30 4.37 0.02 -1.68 -2.67 113.55 113.29 3ils h SER 1880Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ils h SER 1880Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3ils h SER 1880CO 0.00 0.34 0.00 -1.22 -1.14 0.00 0.00 176.83 174.81 3ils n TYR 1881N -3.64 0.39 0.43 3.45 4.01 -0.96 -4.14 117.16 116.70 3ils n TYR 1881Ca -0.01 -0.20 0.11 0.00 -0.16 0.00 0.00 57.90 57.65 3ils n TYR 1881Cb 0.45 0.00 0.45 0.00 -0.31 0.00 0.00 39.34 39.94 3ils n TYR 1881CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ils n ALA 1882N 0.99 1.68 1.25 -0.72 0.00 -1.01 -2.13 120.51 120.57 3ils n ALA 1882Ca 0.18 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.81 3ils n ALA 1882Cb 0.48 -1.36 0.52 0.00 0.00 0.00 0.00 19.45 19.10 3ils n ALA 1882CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ils n SER 1883N -2.07 0.44 -4.70 0.00 3.41 -1.26 -4.87 113.62 104.57 3ils n SER 1883Ca 0.02 -0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 57.86 3ils n SER 1883Cb 0.22 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 3ils n SER 1883CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ils s LEU 1884N -2.67 4.36 1.06 1.04 1.43 -0.90 -4.89 118.68 118.11 3ils s LEU 1884Ca 0.23 2.41 -0.12 0.00 -1.03 0.00 0.00 54.13 55.62 3ils s LEU 1884Cb 0.19 -3.58 0.23 0.00 0.03 0.00 0.00 46.19 43.06 3ils s LEU 1884CO 0.53 -0.77 1.08 -2.84 0.23 0.00 0.00 176.35 174.57 3ils s PRO 1885N 1.76 -0.12 0.12 1.29 0.02 -1.26 -4.88 135.00 131.93 3ils s PRO 1885Ca 0.68 1.13 -0.31 0.00 0.02 0.00 0.00 61.00 62.52 3ils s PRO 1885Cb -0.39 -1.63 -0.09 0.00 0.02 0.00 0.00 34.50 32.42 3ils s PRO 1885CO 0.30 -3.27 1.62 0.50 -0.33 0.00 0.00 177.00 175.82 3ils s ARG 1886N -4.54 4.20 0.14 5.54 3.52 -1.26 -4.93 118.95 121.62 3ils s ARG 1886Ca 0.68 2.35 -0.31 0.00 -0.13 0.00 0.00 55.73 58.32 3ils s ARG 1886Cb -0.24 -3.39 -0.08 0.00 -1.56 0.00 0.00 34.95 29.68 3ils s ARG 1886CO 0.62 -0.68 1.30 -0.51 -0.81 0.00 0.00 175.30 175.22 3ils s LEU 1887N 1.94 4.40 0.00 -0.88 1.43 -1.26 -4.91 118.68 119.40 3ils s LEU 1887Ca 0.72 2.27 0.27 0.00 -1.03 0.00 0.00 54.13 56.37 3ils s LEU 1887Cb -0.42 -3.59 0.97 0.00 0.03 0.00 0.00 46.19 43.18 3ils s LEU 1887CO 0.32 -0.54 1.73 0.29 0.23 0.00 0.00 176.35 178.38 3ils n LYS 1888N 3.34 0.14 -2.44 1.70 5.02 -1.26 -4.83 118.16 119.84 3ils n LYS 1888Ca 0.08 -0.05 -0.25 0.00 -2.02 0.00 0.00 58.31 56.07 3ils n LYS 1888Cb 0.44 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.99 3ils n LYS 1888CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ils s SER 1889N -2.90 5.40 -1.40 4.39 1.04 -1.26 -4.95 113.70 114.02 3ils s SER 1889Ca 0.16 0.53 -0.12 0.00 0.48 0.00 0.00 55.95 57.00 3ils s SER 1889Cb 0.19 -1.46 0.08 0.00 0.10 0.00 0.00 66.02 64.93 3ils s SER 1889CO 0.58 -1.16 2.12 -0.67 0.98 0.00 0.00 173.24 175.09 3ils n ASP 1890N -2.59 4.42 -3.93 7.02 2.03 -1.26 -4.88 116.55 117.36 3ils n ASP 1890Ca 0.05 -2.93 -0.20 0.00 0.52 0.00 0.00 54.79 52.23 3ils n ASP 1890Cb 0.58 -1.59 -0.16 0.00 -0.72 0.00 0.00 41.12 39.23 3ils n ASP 1890CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3ils s THR 1891N 2.16 0.65 0.31 5.18 2.01 -1.26 -2.84 115.64 121.85 3ils s THR 1891Ca 0.45 -0.22 -0.01 0.00 0.31 0.00 0.00 61.69 62.23 3ils s THR 1891Cb 0.13 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 3ils s THR 1891CO -0.06 0.24 0.52 0.00 -0.69 0.00 0.00 174.62 174.63 3ils s ALA 1892N 0.69 3.71 -0.10 7.40 0.00 -0.28 -4.75 121.76 128.43 3ils s ALA 1892Ca -0.10 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.03 3ils s ALA 1892Cb -0.13 -2.12 0.02 0.00 0.00 0.00 0.00 23.12 20.89 3ils s ALA 1892CO 0.01 0.11 -0.12 0.08 0.00 0.00 0.00 175.76 175.84 3ils s VAL 1893N -2.19 1.25 -0.07 0.00 1.01 0.38 -0.48 120.40 120.31 3ils s VAL 1893Ca 0.40 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.96 3ils s VAL 1893Cb -0.10 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 3ils s VAL 1893CO 0.34 0.40 -0.22 -0.69 0.00 0.00 0.00 175.10 174.92 3ils s VAL 1894N 1.22 2.32 -0.05 2.92 1.01 -0.11 -0.61 120.40 127.11 3ils s VAL 1894Ca -0.03 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.05 3ils s VAL 1894Cb -0.14 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 3ils s VAL 1894CO -0.04 0.57 -0.25 -0.83 0.00 0.00 0.00 175.10 174.55 3ils s GLY 1895N -0.18 1.28 0.22 4.51 0.00 -0.36 -0.60 107.32 112.20 3ils s GLY 1895Ca -0.03 -1.06 -0.04 0.00 0.00 0.00 0.00 44.72 43.60 3ils s GLY 1895CO 0.04 -0.71 0.45 1.08 0.00 0.00 0.00 173.10 173.96 3ils s LEU 1896N -0.26 4.18 -0.04 0.66 1.02 -0.71 -1.49 118.68 122.04 3ils s LEU 1896Ca -0.00 0.60 0.02 0.00 0.02 0.00 0.00 54.13 54.76 3ils s LEU 1896Cb -0.13 -3.37 -0.03 0.00 0.02 0.00 0.00 46.19 42.68 3ils s LEU 1896CO 0.03 -0.07 -0.05 0.20 0.02 0.00 0.00 176.35 176.47 3ils s ASN 1897N -2.90 4.74 -0.01 2.29 0.01 -0.45 -3.38 114.94 115.25 3ils s ASN 1897Ca 0.42 -0.05 -0.30 0.00 -0.71 0.00 0.00 52.86 52.21 3ils s ASN 1897Cb -0.11 -1.18 -0.04 0.00 0.41 0.00 0.00 41.25 40.32 3ils s ASN 1897CO 0.27 0.33 1.23 0.00 -1.51 0.00 0.00 177.10 177.42 3ils n PRO 1899N 4.81 0.05 -0.17 0.00 -0.04 -1.26 -1.53 135.00 136.85 3ils n PRO 1899Ca 0.11 0.27 0.09 0.00 -0.04 0.00 0.00 63.50 63.92 3ils n PRO 1899Cb 0.46 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.58 3ils n PRO 1899CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ils n TYR 1900N -1.30 0.08 -0.26 0.54 4.02 -1.26 -4.83 117.16 114.14 3ils n TYR 1900Ca 0.02 -1.07 0.06 0.00 -0.01 0.00 0.00 57.90 56.90 3ils n TYR 1900Cb 0.03 -0.18 0.20 0.00 -0.02 0.00 0.00 39.34 39.37 3ils n TYR 1900CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ils h ALA 1901N 0.27 1.10 -0.46 -0.72 0.00 -1.57 -2.33 119.26 115.55 3ils h ALA 1901Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ils h ALA 1901Cb 1.04 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3ils h ALA 1901CO 0.02 -0.22 0.00 0.54 0.00 0.00 0.00 179.25 179.59 3ils n ARG 1902N -5.01 2.53 -2.90 0.00 1.74 -1.26 -4.51 116.66 107.26 3ils n ARG 1902Ca 0.15 -2.33 -0.13 0.00 -0.77 0.00 0.00 57.85 54.77 3ils n ARG 1902Cb 0.44 -1.52 0.04 0.00 -1.02 0.00 0.00 32.46 30.40 3ils n ARG 1902CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3ils n ASP 1903N 1.50 -1.36 0.32 0.55 5.75 -0.92 -4.85 116.55 117.54 3ils n ASP 1903Ca 0.20 -3.37 0.20 0.00 -0.01 0.00 0.00 54.79 51.82 3ils n ASP 1903Cb 0.60 1.00 1.08 0.00 -1.03 0.00 0.00 41.12 42.78 3ils n ASP 1903CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 3ils h PRO 1904N 3.25 0.00 0.00 0.11 0.13 -1.67 -0.93 132.00 132.88 3ils h PRO 1904Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3ils h PRO 1904Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3ils h PRO 1904CO 0.29 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.11 3ils h GLU 1905N 0.00 0.00 -0.53 0.86 9.09 -1.91 -2.23 114.58 119.87 3ils h GLU 1905Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.42 3ils h GLU 1905Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 3ils h GLU 1905CO -0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 3ils n ASN 1906N -2.48 3.47 -4.56 3.06 3.02 -0.35 -4.86 115.26 112.56 3ils n ASN 1906Ca 0.00 -2.03 -0.35 0.00 -0.03 0.00 0.00 54.58 52.16 3ils n ASN 1906Cb 0.17 -0.37 -0.04 0.00 -0.61 0.00 0.00 39.78 38.93 3ils n ASN 1906CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3ils s MET 1907N -1.06 3.08 -0.01 3.52 1.75 -0.84 -4.72 119.30 121.01 3ils s MET 1907Ca 0.36 -0.56 0.15 0.00 -1.25 0.00 0.00 55.69 54.38 3ils s MET 1907Cb 0.19 -5.04 0.43 0.00 2.84 0.00 0.00 34.83 33.26 3ils s MET 1907CO 0.24 -2.68 1.36 0.09 -0.65 0.00 0.00 175.02 173.38 3ils n ASN 1908N 11.17 3.35 -4.90 1.11 3.02 -1.26 -5.02 115.26 122.73 3ils n ASN 1908Ca 0.31 -2.06 -0.29 0.00 -0.03 0.00 0.00 54.58 52.51 3ils n ASN 1908Cb 0.49 -0.33 0.01 0.00 -0.61 0.00 0.00 39.78 39.34 3ils n ASN 1908CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ils s THR 1910N -2.97 4.92 0.37 0.00 -4.23 -1.26 -4.94 115.64 107.52 3ils s THR 1910Ca 0.52 0.21 0.04 0.00 -1.18 0.00 0.00 61.69 61.27 3ils s THR 1910Cb -0.11 -3.82 0.27 0.00 1.34 0.00 0.00 72.50 70.18 3ils s THR 1910CO 0.48 -0.68 2.02 1.12 -0.54 0.00 0.00 174.62 177.02 3ils h HIS 1911N 0.69 0.71 -0.69 3.99 2.07 -1.99 -1.75 115.15 118.19 3ils h HIS 1911Ca -0.47 0.02 0.03 0.00 -2.85 0.00 0.00 60.37 57.09 3ils h HIS 1911Cb 1.20 -0.24 -0.04 0.00 2.57 0.00 0.00 27.41 30.90 3ils h HIS 1911CO 0.58 0.44 0.44 0.78 -3.07 0.00 0.00 177.93 177.10 3ils h GLY 1912N 0.76 0.99 1.29 6.13 0.00 -1.93 0.13 103.07 110.44 3ils h GLY 1912Ca 0.22 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3ils h GLY 1912CO -0.05 0.29 0.01 0.00 0.00 0.00 0.00 176.54 176.79 3ils h ALA 1913N 1.29 1.04 -0.46 3.60 0.00 -1.67 -1.30 119.26 121.77 3ils h ALA 1913Ca 0.27 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3ils h ALA 1913Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3ils h ALA 1913CO -0.10 0.60 -0.23 1.98 0.00 0.00 0.00 179.25 181.49 3ils h MET 1914N 0.81 0.96 -0.53 0.00 -1.53 -0.71 -1.80 114.93 112.13 3ils h MET 1914Ca 0.16 -0.43 -0.03 0.00 -3.44 0.00 0.00 59.70 55.96 3ils h MET 1914Cb 0.47 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.47 3ils h MET 1914CO 0.02 1.09 0.23 0.82 0.14 0.00 0.00 176.91 179.21 3ils h ILE 1915N 0.81 1.21 -0.81 1.77 1.08 -0.52 -1.33 117.51 119.72 3ils h ILE 1915Ca 0.10 -0.64 0.02 0.00 -0.39 0.00 0.00 64.86 63.94 3ils h ILE 1915Cb 0.81 0.64 -0.04 0.00 -3.07 0.00 0.00 36.82 35.16 3ils h ILE 1915CO 0.07 0.25 0.54 -0.08 -0.69 0.00 0.00 178.15 178.24 3ils h GLU 1916N 0.72 1.04 -0.47 2.37 4.81 -1.09 -0.02 114.58 121.95 3ils h GLU 1916Ca 0.18 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3ils h GLU 1916Cb 0.17 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3ils h GLU 1916CO -0.02 0.69 0.17 1.03 -0.73 0.00 0.00 179.01 180.15 3ils h SER 1917N 1.07 0.66 -0.29 1.04 0.87 -0.73 -0.07 113.55 116.10 3ils h SER 1917Ca 0.31 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 3ils h SER 1917Cb -0.07 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 3ils h SER 1917CO -0.07 0.67 0.10 -0.26 -0.53 0.00 0.00 176.83 176.74 3ils h PHE 1918N 0.62 0.46 -0.58 2.24 0.04 -0.49 -2.57 116.94 116.66 3ils h PHE 1918Ca 0.15 -0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.90 3ils h PHE 1918Cb 0.23 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 3ils h PHE 1918CO 0.01 0.47 0.36 0.00 -0.60 0.00 0.00 178.31 178.56 3ils h ASN 1920N 0.73 0.76 -0.13 0.00 2.35 -0.84 -1.00 115.58 117.45 3ils h ASN 1920Ca 0.23 0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.83 3ils h ASN 1920Cb -0.01 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3ils h ASN 1920CO -0.08 0.50 -0.50 -0.08 -1.65 0.00 0.00 177.43 175.62 3ils h GLU 1921N 0.89 0.70 -0.23 0.81 4.57 -1.07 -2.11 114.58 118.14 3ils h GLU 1921Ca 0.33 -0.42 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 3ils h GLU 1921Cb 0.12 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3ils h GLU 1921CO -0.15 1.04 0.08 0.82 -1.18 0.00 0.00 179.01 179.61 3ils h ILE 1922N 0.55 1.19 0.00 2.32 2.04 -0.80 -2.52 117.51 120.29 3ils h ILE 1922Ca 0.02 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3ils h ILE 1922Cb 1.06 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 3ils h ILE 1922CO 0.10 0.19 0.00 0.03 0.00 0.00 0.00 178.15 178.47 3ils h ARG 1923N 0.21 0.00 -0.10 2.37 3.08 -1.20 -0.23 114.38 118.52 3ils h ARG 1923Ca 0.08 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3ils h ARG 1923Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3ils h ARG 1923CO -0.00 0.00 -0.11 -0.09 -1.07 0.00 0.00 179.97 178.70 3ils h ARG 1924N 0.00 0.24 -0.17 0.04 2.43 -0.97 -1.60 114.38 114.34 3ils h ARG 1924Ca 0.00 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 3ils h ARG 1924Cb 0.51 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3ils h ARG 1924CO 0.00 0.67 0.05 0.00 -1.51 0.00 0.00 179.97 179.18 3ils h ARG 1925N -0.18 0.27 -3.23 0.20 2.47 -1.13 -3.39 114.38 109.39 3ils h ARG 1925Ca 0.01 -0.06 -0.60 0.00 -1.26 0.00 0.00 59.98 58.08 3ils h ARG 1925Cb 0.63 -0.04 -0.40 0.00 -1.65 0.00 0.00 29.97 28.52 3ils h ARG 1925CO 0.03 0.40 -0.76 -1.14 0.56 0.00 0.00 179.97 179.06 3ils s GLN 1926N -5.35 0.95 0.41 0.04 0.74 -0.13 -4.99 119.66 111.33 3ils s GLN 1926Ca -0.14 -1.51 0.14 0.00 0.05 0.00 0.00 55.36 53.90 3ils s GLN 1926Cb 0.07 -2.09 0.99 0.00 1.10 0.00 0.00 33.01 33.08 3ils s GLN 1926CO 0.71 -1.08 1.90 -1.35 -0.55 0.00 0.00 175.29 174.92 3ils h PRO 1927N 7.40 0.48 -6.26 1.67 0.11 -1.50 -3.37 132.00 130.53 3ils h PRO 1927Ca -0.06 -0.03 -0.57 0.00 0.11 0.00 0.00 66.00 65.44 3ils h PRO 1927Cb 0.97 -0.11 -0.22 0.00 0.11 0.00 0.00 31.00 31.76 3ils h PRO 1927CO 0.46 0.32 -0.83 1.03 -0.21 0.00 0.00 178.00 178.76 3ils s ARG 1928N -5.49 1.17 0.00 1.05 1.81 -1.26 -4.97 118.95 111.26 3ils s ARG 1928Ca -0.09 -1.20 0.00 0.00 -1.72 0.00 0.00 55.73 52.72 3ils s ARG 1928Cb 0.21 -1.46 0.00 0.00 -0.45 0.00 0.00 34.95 33.26 3ils s ARG 1928CO 0.77 0.34 0.00 0.41 -0.68 0.00 0.00 175.30 176.14 3ils n GLY 1929N 1.02 -0.55 3.67 -3.53 0.00 -1.26 -4.85 105.19 99.68 3ils n GLY 1929Ca -0.19 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 3ils n GLY 1929CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ils s PRO 1930N -0.72 0.94 0.27 1.61 0.02 -1.26 -5.03 135.00 130.84 3ils s PRO 1930Ca 0.00 1.47 0.10 0.00 0.02 0.00 0.00 61.00 62.59 3ils s PRO 1930Cb 0.00 -1.72 -0.04 0.00 0.02 0.00 0.00 34.50 32.75 3ils s PRO 1930CO 0.00 -2.66 -0.01 0.71 -0.33 0.00 0.00 177.00 174.72 3ils s TYR 1931N -2.65 2.68 -0.12 6.54 1.51 -0.84 -4.94 117.35 119.53 3ils s TYR 1931Ca 0.66 -0.23 -0.03 0.00 -1.01 0.00 0.00 57.07 56.46 3ils s TYR 1931Cb -0.23 -1.20 0.05 0.00 -0.11 0.00 0.00 41.96 40.47 3ils s TYR 1931CO 0.58 0.62 0.05 -1.01 -1.11 0.00 0.00 175.55 174.68 3ils s HIS 1932N -2.34 0.40 0.27 2.71 3.76 -1.26 -1.23 115.29 117.60 3ils s HIS 1932Ca 0.32 -0.22 0.11 0.00 -0.15 0.00 0.00 55.06 55.12 3ils s HIS 1932Cb -0.06 -0.71 -0.05 0.00 1.11 0.00 0.00 32.58 32.87 3ils s HIS 1932CO 0.20 -0.40 -0.16 -0.51 -0.85 0.00 0.00 174.74 173.02 3ils s LEU 1933N 2.07 2.72 0.08 0.89 1.43 -0.59 -1.57 118.68 123.70 3ils s LEU 1933Ca 0.03 -0.93 -0.27 0.00 -1.03 0.00 0.00 54.13 51.93 3ils s LEU 1933Cb -0.14 -1.24 0.09 0.00 0.03 0.00 0.00 46.19 44.92 3ils s LEU 1933CO -0.06 0.04 1.14 -0.83 0.23 0.00 0.00 176.35 176.86 3ils s GLY 1934N -3.49 -0.21 0.00 -3.19 0.00 -0.63 -0.91 107.32 98.90 3ils s GLY 1934Ca 0.30 0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.23 3ils s GLY 1934CO 0.16 1.32 0.00 0.61 0.00 0.00 0.00 173.10 175.19 3ils n GLY 1935N -0.59 1.80 3.52 0.20 0.00 -0.55 -0.89 105.19 108.69 3ils n GLY 1935Ca -0.05 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 3ils n GLY 1935CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ils s TRP 1936N -2.00 2.90 0.00 1.61 -0.00 -1.26 -1.45 118.94 118.74 3ils s TRP 1936Ca 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 56.10 55.94 3ils s TRP 1936Cb 0.00 -1.77 0.00 0.00 -0.00 0.00 0.00 33.47 31.70 3ils s TRP 1936CO 0.00 0.16 0.00 0.45 -0.00 0.00 0.00 176.95 177.56 3ils n SER 1937N 2.67 0.00 0.27 5.86 2.88 -0.84 -0.68 113.62 123.79 3ils n SER 1937Ca -0.18 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.52 3ils n SER 1937Cb 0.53 0.00 0.83 0.00 -0.75 0.00 0.00 64.21 64.82 3ils n SER 1937CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3ils h SER 1938N 0.00 0.00 1.06 -3.46 4.64 -1.91 0.12 113.55 114.00 3ils h SER 1938Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 3ils h SER 1938Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3ils h SER 1938CO 0.00 0.00 -0.79 1.23 -0.87 0.00 0.00 176.83 176.40 3ils h GLY 1939N 0.00 0.00 1.14 -0.77 0.00 -0.84 -1.89 103.07 100.71 3ils h GLY 1939Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3ils h GLY 1939CO 0.00 0.00 -0.41 -1.33 0.00 0.00 0.00 176.54 174.80 3ils h GLY 1940N 2.91 1.01 0.94 4.60 0.00 -0.69 0.05 103.07 111.89 3ils h GLY 1940Ca -0.01 -1.06 -0.07 0.00 0.00 0.00 0.00 47.33 46.19 3ils h GLY 1940CO 0.10 0.96 -0.05 0.00 0.00 0.00 0.00 176.54 177.55 3ils h ALA 1941N 0.76 0.50 -0.39 3.60 0.00 -1.52 -2.64 119.26 119.58 3ils h ALA 1941Ca 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3ils h ALA 1941Cb 1.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3ils h ALA 1941CO 0.10 0.32 0.10 0.74 0.00 0.00 0.00 179.25 180.51 3ils h PHE 1942N 0.48 0.57 -0.70 0.00 0.04 -1.21 -2.09 116.94 114.03 3ils h PHE 1942Ca 0.10 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 3ils h PHE 1942Cb 0.55 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 3ils h PHE 1942CO 0.05 0.50 0.27 0.00 -0.60 0.00 0.00 178.31 178.53 3ils h ALA 1943N 1.55 0.91 -0.20 2.45 0.00 -0.68 0.50 119.26 123.80 3ils h ALA 1943Ca 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ils h ALA 1943Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ils h ALA 1943CO -0.00 0.54 0.09 -0.92 0.00 0.00 0.00 179.25 178.95 3ils h TYR 1944N 1.00 0.30 -0.33 0.00 3.20 -1.10 -1.93 116.97 118.11 3ils h TYR 1944Ca 0.23 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 3ils h TYR 1944Cb 0.22 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3ils h TYR 1944CO 0.02 0.32 -0.07 0.28 -1.64 0.00 0.00 178.16 177.07 3ils h VAL 1945N 0.18 1.22 -0.59 1.81 2.07 -1.16 0.54 116.25 120.32 3ils h VAL 1945Ca 0.07 -0.94 -0.09 0.00 0.82 0.00 0.00 66.70 66.56 3ils h VAL 1945Cb 0.15 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3ils h VAL 1945CO -0.01 0.31 0.02 0.58 0.02 0.00 0.00 177.57 178.49 3ils h VAL 1946N 0.51 1.26 -0.72 2.57 2.07 -0.76 -1.89 116.25 119.29 3ils h VAL 1946Ca 0.10 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 3ils h VAL 1946Cb 0.43 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3ils h VAL 1946CO 0.02 0.40 0.29 0.00 0.02 0.00 0.00 177.57 178.31 3ils h ALA 1947N 1.06 1.16 -0.27 1.67 0.00 -0.33 -0.94 119.26 121.61 3ils h ALA 1947Ca 0.17 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ils h ALA 1947Cb 0.52 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3ils h ALA 1947CO 0.03 0.61 0.03 0.93 0.00 0.00 0.00 179.25 180.85 3ils h GLU 1948N 1.04 0.12 0.17 0.00 5.08 -0.21 0.27 114.58 121.05 3ils h GLU 1948Ca 0.24 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3ils h GLU 1948Cb 0.19 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3ils h GLU 1948CO -0.02 0.08 -0.10 0.00 -1.00 0.00 0.00 179.01 177.97 3ils h ALA 1949N 1.21 -0.25 -0.84 3.43 0.00 -0.80 -0.60 119.26 121.41 3ils h ALA 1949Ca 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ils h ALA 1949Cb 0.14 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3ils h ALA 1949CO -0.18 -0.65 0.40 -0.07 0.00 0.00 0.00 179.25 178.75 3ils h LEU 1950N -0.26 1.11 -0.81 0.00 3.38 -0.91 -1.77 115.31 116.04 3ils h LEU 1950Ca -0.02 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 3ils h LEU 1950Cb 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3ils h LEU 1950CO 0.02 0.94 -0.20 0.58 0.09 0.00 0.00 178.44 179.87 3ils h VAL 1951N 1.20 1.27 0.00 1.22 2.07 -0.33 -0.50 116.25 121.18 3ils h VAL 1951Ca 0.29 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 3ils h VAL 1951Cb 0.13 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3ils h VAL 1951CO -0.03 0.42 -0.03 0.78 0.02 0.00 0.00 177.57 178.72 3ils h ASN 1952N 0.60 0.00 -0.19 0.57 2.35 -0.61 -2.35 115.58 115.95 3ils h ASN 1952Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3ils h ASN 1952Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 3ils h ASN 1952CO 0.05 0.03 0.00 0.00 -1.65 0.00 0.00 177.43 175.86 3ils n GLN 1953N -3.14 1.74 -0.48 0.81 6.02 -0.71 -4.90 117.38 116.72 3ils n GLN 1953Ca 0.01 -1.11 0.00 0.00 -0.01 0.00 0.00 57.00 55.89 3ils n GLN 1953Cb 0.35 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.23 3ils n GLN 1953CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ils n GLY 1954N 1.12 0.76 3.94 1.08 0.00 -0.88 -5.07 105.19 106.14 3ils n GLY 1954Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3ils n GLY 1954CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ils s GLU 1955N -0.52 3.42 -0.00 1.61 0.41 -0.23 -5.01 118.70 118.37 3ils s GLU 1955Ca 0.00 -0.33 -0.02 0.00 -0.41 0.00 0.00 54.97 54.21 3ils s GLU 1955Cb 0.00 -2.63 -0.04 0.00 -1.78 0.00 0.00 34.13 29.68 3ils s GLU 1955CO 0.00 0.06 0.15 -1.21 -0.49 0.00 0.00 175.26 173.77 3ils s GLU 1956N -4.38 3.33 -0.23 1.61 2.02 -1.26 -4.00 118.70 115.78 3ils s GLU 1956Ca 0.42 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 55.03 3ils s GLU 1956Cb -0.10 -3.02 0.06 0.00 0.10 0.00 0.00 34.13 31.17 3ils s GLU 1956CO 0.37 0.66 -0.03 0.08 0.02 0.00 0.00 175.26 176.36 3ils s VAL 1957N -1.30 1.33 -0.67 2.63 1.01 -1.26 -1.99 120.40 120.15 3ils s VAL 1957Ca 0.26 -1.10 0.23 0.00 0.00 0.00 0.00 61.98 61.38 3ils s VAL 1957Cb -0.12 -1.65 -0.10 0.00 0.00 0.00 0.00 36.38 34.51 3ils s VAL 1957CO 0.18 -0.13 1.07 1.41 0.00 0.00 0.00 175.10 177.63 3ils n HIS 1958N 4.74 0.24 -3.83 5.22 8.25 -0.37 -3.64 115.22 125.83 3ils n HIS 1958Ca -0.11 0.07 -0.12 0.00 -0.26 0.00 0.00 57.72 57.30 3ils n HIS 1958Cb 0.45 -0.41 -0.12 0.00 1.12 0.00 0.00 29.99 31.03 3ils n HIS 1958CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3ils s SER 1959N -3.81 -0.13 -0.07 0.41 0.01 -1.24 -0.58 113.70 108.30 3ils s SER 1959Ca 0.05 0.23 -0.02 0.00 1.31 0.00 0.00 55.95 57.52 3ils s SER 1959Cb 0.15 0.30 0.03 0.00 0.21 0.00 0.00 66.02 66.71 3ils s SER 1959CO 0.79 -0.10 0.04 -0.22 0.41 0.00 0.00 173.24 174.16 3ils s LEU 1960N -0.14 0.36 -0.32 2.44 2.96 -1.07 -1.54 118.68 121.37 3ils s LEU 1960Ca -0.02 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 3ils s LEU 1960Cb -0.02 -0.28 0.04 0.00 0.50 0.00 0.00 46.19 46.43 3ils s LEU 1960CO 0.00 -0.24 0.06 -0.63 -1.32 0.00 0.00 176.35 174.22 3ils s ILE 1961N 2.08 3.49 -0.24 6.68 -1.09 -0.09 -0.70 121.20 131.34 3ils s ILE 1961Ca 0.05 -1.15 -0.06 0.00 -2.23 0.00 0.00 60.65 57.25 3ils s ILE 1961Cb -0.13 -2.95 -0.02 0.00 -1.58 0.00 0.00 42.46 37.78 3ils s ILE 1961CO -0.04 -0.10 0.04 -0.63 -1.23 0.00 0.00 174.94 172.98 3ils s ILE 1962N 1.36 4.11 -0.45 2.92 -1.09 0.98 -1.48 121.20 127.56 3ils s ILE 1962Ca -0.02 -0.24 -0.10 0.00 -2.23 0.00 0.00 60.65 58.05 3ils s ILE 1962Cb -0.19 -2.91 0.09 0.00 -1.58 0.00 0.00 42.46 37.88 3ils s ILE 1962CO 0.01 0.37 0.31 -0.63 -1.23 0.00 0.00 174.94 173.77 3ils s ILE 1963N 1.50 4.40 -0.75 2.92 1.01 -0.53 -1.13 121.20 128.62 3ils s ILE 1963Ca 0.06 -1.48 -0.07 0.00 0.00 0.00 0.00 60.65 59.16 3ils s ILE 1963Cb -0.15 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.58 3ils s ILE 1963CO 0.02 -0.62 0.62 -0.67 0.00 0.00 0.00 174.94 174.29 3ils n ASP 1964N 4.97 -5.19 -3.71 3.58 2.03 0.20 -1.99 116.55 116.44 3ils n ASP 1964Ca -0.10 -0.76 -0.12 0.00 0.52 0.00 0.00 54.79 54.34 3ils n ASP 1964Cb 0.42 -1.96 -0.10 0.00 -0.72 0.00 0.00 41.12 38.76 3ils n ASP 1964CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ils s ALA 1965N -2.74 -1.08 0.69 -1.67 0.00 -1.26 -3.86 121.76 111.85 3ils s ALA 1965Ca 0.07 1.41 -0.11 0.00 0.00 0.00 0.00 51.96 53.32 3ils s ALA 1965Cb -0.01 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.28 3ils s ALA 1965CO 0.88 -0.24 1.08 -1.25 0.00 0.00 0.00 175.76 176.23 3ils s PRO 1966N 0.86 2.98 0.64 0.00 0.04 -1.26 -4.97 135.00 133.29 3ils s PRO 1966Ca -0.05 0.56 -0.17 0.00 0.04 0.00 0.00 61.00 61.38 3ils s PRO 1966Cb -0.06 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 3ils s PRO 1966CO -0.07 -0.97 0.80 0.44 0.04 0.00 0.00 177.00 177.24 3ils n ILE 1967N -2.98 2.95 -1.57 0.56 -5.35 -1.26 -4.78 119.36 106.92 3ils n ILE 1967Ca 0.07 -0.46 -0.50 0.00 -0.27 0.00 0.00 62.75 61.58 3ils n ILE 1967Cb 0.56 -0.97 -0.05 0.00 -1.74 0.00 0.00 39.64 37.44 3ils n ILE 1967CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 3ils n PRO 1968N -0.96 1.08 -3.60 6.28 -0.02 -1.26 -4.97 135.00 131.54 3ils n PRO 1968Ca 0.13 0.39 -0.08 0.00 -2.02 0.00 0.00 63.50 61.92 3ils n PRO 1968Cb 0.48 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 31.99 3ils n PRO 1968CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3ils s GLN 1969N -0.09 0.40 0.40 -0.52 -2.07 -1.26 -4.77 119.66 111.75 3ils s GLN 1969Ca 0.78 0.14 -0.24 0.00 -1.82 0.00 0.00 55.36 54.21 3ils s GLN 1969Cb -0.91 0.19 -0.11 0.00 -1.09 0.00 0.00 33.01 31.09 3ils s GLN 1969CO 0.51 -0.12 0.92 0.00 -1.32 0.00 0.00 175.29 175.28 3ils n ALA 1970N 0.83 -0.24 -2.88 2.60 0.00 -1.26 -4.88 120.51 114.69 3ils n ALA 1970Ca -0.07 0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.49 3ils n ALA 1970Cb 0.58 -2.01 -0.12 0.00 0.00 0.00 0.00 19.45 17.90 3ils n ALA 1970CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ils s MET 1971N -1.86 0.42 0.32 0.00 1.00 -1.26 -5.05 119.30 112.87 3ils s MET 1971Ca 0.63 -0.60 -0.27 0.00 0.00 0.00 0.00 55.69 55.45 3ils s MET 1971Cb -0.59 -0.18 -0.09 0.00 0.00 0.00 0.00 34.83 33.96 3ils s MET 1971CO 0.57 0.03 1.02 -2.00 0.00 0.00 0.00 175.02 174.64 3ils s GLU 1972N -1.26 4.53 0.15 2.03 2.12 -1.26 -4.90 118.70 120.12 3ils s GLU 1972Ca -0.09 1.55 -0.30 0.00 0.36 0.00 0.00 54.97 56.49 3ils s GLU 1972Cb -0.08 -2.93 -0.07 0.00 0.26 0.00 0.00 34.13 31.31 3ils s GLU 1972CO -0.00 0.18 1.02 -0.65 -0.54 0.00 0.00 175.26 175.28 3ils s GLN 1973N -1.83 4.66 0.30 4.30 -1.52 -1.26 -5.02 119.66 119.28 3ils s GLN 1973Ca 0.49 1.57 -0.28 0.00 -1.95 0.00 0.00 55.36 55.19 3ils s GLN 1973Cb -0.25 -3.33 -0.09 0.00 -0.22 0.00 0.00 33.01 29.12 3ils s GLN 1973CO 0.32 0.17 1.02 -0.51 -0.25 0.00 0.00 175.29 176.04 3ils s LEU 1974N -0.24 4.47 0.56 2.90 1.43 -1.26 -5.03 118.68 121.51 3ils s LEU 1974Ca 0.48 2.08 -0.16 0.00 -1.03 0.00 0.00 54.13 55.49 3ils s LEU 1974Cb -0.26 -3.78 -0.06 0.00 0.03 0.00 0.00 46.19 42.12 3ils s LEU 1974CO 0.32 -0.11 1.03 -2.16 0.23 0.00 0.00 176.35 175.66 3ils s PRO 1975N -1.66 3.60 0.28 1.29 0.04 -1.26 -4.90 135.00 132.39 3ils s PRO 1975Ca 0.47 1.12 0.01 0.00 0.04 0.00 0.00 61.00 62.64 3ils s PRO 1975Cb -0.27 -2.08 0.64 0.00 0.04 0.00 0.00 34.50 32.84 3ils s PRO 1975CO 0.34 -0.57 1.69 -0.09 0.04 0.00 0.00 177.00 178.40 3ils h ARG 1976N 0.71 0.35 -0.83 4.56 2.43 -1.98 -0.31 114.38 119.30 3ils h ARG 1976Ca -0.47 -0.02 0.17 0.00 -0.81 0.00 0.00 59.98 58.85 3ils h ARG 1976Cb 1.21 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.62 3ils h ARG 1976CO 0.59 0.23 0.55 0.00 -1.51 0.00 0.00 179.97 179.84 3ils h ALA 1977N 1.68 2.12 -0.04 2.80 0.00 -1.98 -0.26 119.26 123.58 3ils h ALA 1977Ca 0.51 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.43 3ils h ALA 1977Cb 0.94 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3ils h ALA 1977CO -0.52 -0.36 0.00 0.35 0.00 0.00 0.00 179.25 178.72 3ils h PHE 1978N 0.45 0.07 -0.37 0.00 3.57 -1.40 -1.64 116.94 117.61 3ils h PHE 1978Ca 0.42 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.85 3ils h PHE 1978Cb 0.97 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 3ils h PHE 1978CO -0.00 0.31 -0.03 1.88 -2.23 0.00 0.00 178.31 178.25 3ils h TYR 1979N -0.20 0.62 0.00 0.41 0.05 -1.25 -1.01 116.97 115.59 3ils h TYR 1979Ca 0.01 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.65 3ils h TYR 1979Cb 0.29 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 3ils h TYR 1979CO 0.02 0.61 -0.30 0.93 -1.05 0.00 0.00 178.16 178.37 3ils h GLU 1980N 0.56 0.00 -0.10 4.88 5.08 -1.00 -1.09 114.58 122.91 3ils h GLU 1980Ca 0.11 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.24 3ils h GLU 1980Cb 0.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 3ils h GLU 1980CO 0.02 0.30 -0.86 1.25 -1.00 0.00 0.00 179.01 178.72 3ils h HIS 1981N 0.00 1.06 -0.78 4.33 2.76 -0.28 -1.88 115.15 120.36 3ils h HIS 1981Ca -0.00 -0.50 -0.03 0.00 -2.20 0.00 0.00 60.37 57.63 3ils h HIS 1981Cb 0.65 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.43 3ils h HIS 1981CO 0.00 1.34 0.36 0.00 -1.30 0.00 0.00 177.93 178.33 3ils h ASN 1983N 1.11 0.32 0.50 0.00 -1.24 -1.12 -1.65 115.58 113.50 3ils h ASN 1983Ca 0.27 -0.15 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 3ils h ASN 1983Cb 0.13 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 39.09 3ils h ASN 1983CO -0.03 0.76 -0.00 0.77 -1.29 0.00 0.00 177.43 177.63 3ils h SER 1984N 0.24 0.00 0.27 1.15 4.64 -0.87 -0.38 113.55 118.61 3ils h SER 1984Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3ils h SER 1984Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3ils h SER 1984CO 0.08 0.00 -0.66 -0.38 -0.87 0.00 0.00 176.83 175.00 3ils n ILE 1985N -3.10 0.00 -0.65 0.95 5.41 -0.98 -4.73 119.36 116.26 3ils n ILE 1985Ca -0.01 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3ils n ILE 1985Cb 0.19 0.58 0.00 0.00 -0.71 0.00 0.00 39.64 39.70 3ils n ILE 1985CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ils n GLY 1986N 1.48 0.60 0.00 7.39 0.00 -0.15 -4.76 105.19 109.75 3ils n GLY 1986Ca 0.06 -0.68 0.11 0.00 0.00 0.00 0.00 46.02 45.51 3ils n GLY 1986CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ils n LEU 1987N 0.00 0.00 -1.82 0.99 4.77 -0.66 -2.67 117.00 117.61 3ils n LEU 1987Ca 0.00 0.27 0.07 0.00 -0.03 0.00 0.00 56.01 56.32 3ils n LEU 1987Cb 0.00 -0.27 0.39 0.00 -2.33 0.00 0.00 43.42 41.21 3ils n LEU 1987CO 0.00 -0.07 0.86 0.49 -1.33 0.00 0.00 177.39 177.33 3ils n PHE 1988N -1.27 1.93 0.31 -1.77 3.72 -1.26 -4.45 117.46 114.67 3ils n PHE 1988Ca 0.11 -0.69 0.17 0.00 -0.05 0.00 0.00 57.45 56.99 3ils n PHE 1988Cb 0.17 -0.45 0.99 0.00 -0.94 0.00 0.00 39.48 39.26 3ils n PHE 1988CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ils h ALA 1989N 4.04 1.32 0.00 4.37 0.00 -1.62 -1.16 119.26 126.20 3ils h ALA 1989Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 3ils h ALA 1989Cb 1.85 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 3ils h ALA 1989CO 0.43 0.02 -0.87 1.79 0.00 0.00 0.00 179.25 180.61 3ils h THR 1990N 0.00 1.54 -3.18 0.00 1.35 -1.87 -3.44 112.91 107.30 3ils h THR 1990Ca -0.00 -3.08 -0.53 0.00 -0.55 0.00 0.00 66.41 62.25 3ils h THR 1990Cb 0.05 2.70 0.03 0.00 -1.73 0.00 0.00 68.15 69.20 3ils h THR 1990CO 0.00 0.86 0.68 -1.10 -0.25 0.00 0.00 175.52 175.71 3ils s GLN 1991N -2.85 4.36 0.09 4.72 -1.52 -0.44 -4.26 119.66 119.77 3ils s GLN 1991Ca 0.01 2.04 -0.35 0.00 -1.95 0.00 0.00 55.36 55.12 3ils s GLN 1991Cb 0.10 -3.23 -0.15 0.00 -0.22 0.00 0.00 33.01 29.50 3ils s GLN 1991CO 0.80 -0.34 1.57 -1.35 -0.25 0.00 0.00 175.29 175.72 3ils h PRO 1992N 6.17 -0.85 0.00 2.91 0.11 -1.85 -3.08 132.00 135.41 3ils h PRO 1992Ca -0.43 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3ils h PRO 1992Cb 1.21 0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.52 3ils h PRO 1992CO 0.82 -0.57 0.00 0.78 -0.21 0.00 0.00 178.00 178.82 3ils h GLY 1993N -0.89 0.00 -0.86 -0.55 0.00 -1.92 -3.46 103.07 95.39 3ils h GLY 1993Ca -0.03 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.83 3ils h GLY 1993CO -0.14 0.00 0.29 0.00 0.00 0.00 0.00 176.54 176.69 3ils s ALA 1994N -3.65 1.73 -0.10 3.60 0.00 -1.17 -4.57 121.76 117.61 3ils s ALA 1994Ca 0.01 -0.40 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 3ils s ALA 1994Cb 0.09 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 3ils s ALA 1994CO 0.54 -2.26 1.05 0.45 0.00 0.00 0.00 175.76 175.54 3ils s SER 1995N -3.87 7.20 0.04 0.00 0.15 -1.26 -4.86 113.70 111.10 3ils s SER 1995Ca 0.63 1.59 0.14 0.00 0.70 0.00 0.00 55.95 59.01 3ils s SER 1995Cb -0.15 -2.56 0.60 0.00 -1.71 0.00 0.00 66.02 62.20 3ils s SER 1995CO 0.54 -0.48 1.44 -0.81 1.20 0.00 0.00 173.24 175.13 3ils n PRO 1996N 5.08 0.03 0.00 5.44 -0.04 -1.26 -3.03 135.00 141.22 3ils n PRO 1996Ca 0.09 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 3ils n PRO 1996Cb 0.48 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 3ils n PRO 1996CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3ils n ASP 1997N -1.60 0.65 -0.21 3.54 5.75 -1.26 -4.71 116.55 118.71 3ils n ASP 1997Ca 0.03 -1.04 -0.03 0.00 -0.01 0.00 0.00 54.79 53.74 3ils n ASP 1997Cb 0.15 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.23 3ils n ASP 1997CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ils n GLY 1998N -0.02 0.59 0.12 6.12 0.00 -1.17 -4.13 105.19 106.71 3ils n GLY 1998Ca 0.00 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.58 3ils n GLY 1998CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ils h SER 1999N 0.00 0.00 -3.50 1.61 4.64 -1.87 -3.41 113.55 111.02 3ils h SER 1999Ca -0.06 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.85 3ils h SER 1999Cb 0.24 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.19 3ils h SER 1999CO 0.08 0.00 -0.69 0.42 -0.87 0.00 0.00 176.83 175.77 3ils s THR 2000N -3.13 1.39 0.72 2.95 -4.23 -1.26 -5.13 115.64 106.94 3ils s THR 2000Ca 0.10 -2.11 -0.15 0.00 -1.18 0.00 0.00 61.69 58.35 3ils s THR 2000Cb 0.11 -2.17 0.03 0.00 1.34 0.00 0.00 72.50 71.81 3ils s THR 2000CO 0.59 -0.49 1.18 -1.61 -0.54 0.00 0.00 174.62 173.76 3ils s GLU 2001N -3.75 2.29 0.78 3.99 2.02 -1.26 -4.68 118.70 118.08 3ils s GLU 2001Ca 0.24 1.66 -0.12 0.00 0.02 0.00 0.00 54.97 56.78 3ils s GLU 2001Cb 0.03 -1.86 0.06 0.00 0.10 0.00 0.00 34.13 32.46 3ils s GLU 2001CO 0.07 -1.70 1.15 -1.25 0.02 0.00 0.00 175.26 173.55 3ils s PRO 2002N -3.97 2.21 0.48 0.39 0.04 -1.26 -4.70 135.00 128.19 3ils s PRO 2002Ca 0.72 0.25 -0.24 0.00 0.04 0.00 0.00 61.00 61.77 3ils s PRO 2002Cb -0.27 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.23 3ils s PRO 2002CO 0.44 -1.45 1.42 -2.30 0.04 0.00 0.00 177.00 175.15 3ils n PRO 2003N -3.25 2.11 -0.25 0.56 -0.02 -1.26 -4.86 135.00 128.03 3ils n PRO 2003Ca 0.08 0.76 0.26 0.00 -2.02 0.00 0.00 63.50 62.57 3ils n PRO 2003Cb 0.59 -2.62 0.63 0.00 -0.02 0.00 0.00 33.50 32.08 3ils n PRO 2003CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3ils h SER 2004N 2.06 0.19 0.67 2.55 4.64 -1.99 -1.77 113.55 119.89 3ils h SER 2004Ca -0.51 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3ils h SER 2004Cb 1.28 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3ils h SER 2004CO 0.60 0.06 -0.46 0.00 -0.87 0.00 0.00 176.83 176.16 3ils n TYR 2005N -4.39 0.15 0.09 4.77 0.18 -1.26 -4.50 117.16 112.19 3ils n TYR 2005Ca 0.21 0.04 -0.03 0.00 1.88 0.00 0.00 57.90 60.00 3ils n TYR 2005Cb 0.93 -0.39 -0.02 0.00 -0.38 0.00 0.00 39.34 39.48 3ils n TYR 2005CO 0.00 0.00 0.00 1.25 -2.08 0.00 0.00 176.86 176.03 3ils h LEU 2006N 0.00 -0.19 -1.07 -3.48 5.85 -1.61 -1.91 115.31 112.91 3ils h LEU 2006Ca 0.00 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.80 3ils h LEU 2006Cb 0.56 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 3ils h LEU 2006CO 0.00 -0.12 0.62 0.40 -0.34 0.00 0.00 178.44 179.00 3ils h ILE 2007N -0.24 1.05 0.00 4.05 2.04 -1.82 -0.57 117.51 122.02 3ils h ILE 2007Ca -0.02 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 3ils h ILE 2007Cb 0.17 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 3ils h ILE 2007CO 0.04 0.20 -0.18 -0.65 0.00 0.00 0.00 178.15 177.55 3ils h PRO 2008N 1.09 0.00 -0.09 2.37 0.11 -1.79 -1.95 132.00 131.74 3ils h PRO 2008Ca 0.43 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.37 3ils h PRO 2008Cb 0.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3ils h PRO 2008CO -0.18 0.18 -0.66 1.25 -0.21 0.00 0.00 178.00 178.38 3ils h HIS 2009N 0.00 0.47 -0.07 0.65 2.76 -0.26 0.63 115.15 119.33 3ils h HIS 2009Ca -0.00 -0.19 -0.00 0.00 -2.20 0.00 0.00 60.37 57.97 3ils h HIS 2009Cb 0.47 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.35 3ils h HIS 2009CO 0.00 0.92 0.04 0.74 -1.30 0.00 0.00 177.93 178.32 3ils h PHE 2010N 0.25 0.09 -0.37 5.26 -1.00 -0.91 -0.30 116.94 119.96 3ils h PHE 2010Ca -0.02 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.79 3ils h PHE 2010Cb 1.21 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 40.71 3ils h PHE 2010CO 0.04 0.13 0.19 1.15 -1.61 0.00 0.00 178.31 178.20 3ils h THR 2011N 0.03 0.99 -0.63 -1.55 2.02 -1.21 -2.14 112.91 110.42 3ils h THR 2011Ca 0.02 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.12 3ils h THR 2011Cb 0.07 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 67.00 3ils h THR 2011CO -0.00 0.07 0.36 0.00 0.37 0.00 0.00 175.52 176.32 3ils h ALA 2012N 1.19 0.83 -0.32 6.16 0.00 -0.56 -0.99 119.26 125.57 3ils h ALA 2012Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3ils h ALA 2012Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3ils h ALA 2012CO -0.10 0.07 0.09 0.28 0.00 0.00 0.00 179.25 179.59 3ils h VAL 2013N 0.69 1.21 -0.91 0.00 2.07 -0.75 -1.13 116.25 117.43 3ils h VAL 2013Ca 0.27 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 67.12 3ils h VAL 2013Cb 0.11 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3ils h VAL 2013CO -0.14 0.23 0.60 0.58 0.02 0.00 0.00 177.57 178.86 3ils h VAL 2014N 0.35 1.22 -0.07 2.57 2.07 -1.16 -2.72 116.25 118.52 3ils h VAL 2014Ca 0.10 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 3ils h VAL 2014Cb 0.26 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 3ils h VAL 2014CO -0.00 0.22 -0.46 -0.78 0.02 0.00 0.00 177.57 176.57 3ils h ASP 2015N 1.21 0.17 1.37 0.57 3.58 -0.74 -3.00 116.42 119.60 3ils h ASP 2015Ca 0.34 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.71 3ils h ASP 2015Cb -0.11 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 40.90 3ils h ASP 2015CO -0.08 0.61 0.00 1.62 -2.88 0.00 0.00 179.24 178.51 3ils h VAL 2016N 0.13 0.00 -0.01 2.25 3.04 -0.89 -2.73 116.25 118.04 3ils h VAL 2016Ca 0.01 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 3ils h VAL 2016Cb 0.87 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.70 3ils h VAL 2016CO 0.07 0.00 -0.11 0.23 -1.01 0.00 0.00 177.57 176.75 3ils n MET 2017N -2.74 1.36 -0.25 4.17 2.81 -1.13 -3.84 117.12 117.50 3ils n MET 2017Ca 0.03 -0.81 0.12 0.00 -1.81 0.00 0.00 57.70 55.23 3ils n MET 2017Cb 0.39 -1.48 0.39 0.00 -0.71 0.00 0.00 33.22 31.81 3ils n MET 2017CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3ils h LEU 2018N 1.98 0.62 -2.20 4.03 5.85 -1.51 -1.52 115.31 122.56 3ils h LEU 2018Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3ils h LEU 2018Cb 0.52 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3ils h LEU 2018CO 0.00 0.32 0.00 0.47 -0.34 0.00 0.00 178.44 178.89 3ils n ASP 2019N -4.55 3.29 -4.75 1.25 8.00 -1.26 -4.67 116.55 113.87 3ils n ASP 2019Ca 0.17 -2.23 -0.41 0.00 0.71 0.00 0.00 54.79 53.03 3ils n ASP 2019Cb 0.47 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 3ils n ASP 2019CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3ils s TYR 2020N -1.64 3.28 -0.21 1.24 5.04 -0.57 -5.02 117.35 119.47 3ils s TYR 2020Ca 0.35 1.40 0.01 0.00 -2.44 0.00 0.00 57.07 56.39 3ils s TYR 2020Cb 0.22 -3.54 0.04 0.00 0.35 0.00 0.00 41.96 39.03 3ils s TYR 2020CO 0.19 -1.53 -0.12 0.15 -1.34 0.00 0.00 175.55 172.90 3ils s LYS 2021N -0.90 2.21 0.51 4.97 1.02 -1.26 -4.53 119.74 121.76 3ils s LYS 2021Ca 0.51 -0.94 -0.23 0.00 0.02 0.00 0.00 55.97 55.34 3ils s LYS 2021Cb -0.36 -2.53 -0.06 0.00 -0.52 0.00 0.00 37.83 34.36 3ils s LYS 2021CO 0.43 -0.42 1.33 -1.17 -0.92 0.00 0.00 175.35 174.59 3ils s LEU 2022N 1.32 3.93 -0.10 3.17 2.96 -1.26 -5.05 118.68 123.65 3ils s LEU 2022Ca -0.02 2.69 -0.21 0.00 -0.22 0.00 0.00 54.13 56.37 3ils s LEU 2022Cb -0.16 -4.20 0.05 0.00 0.50 0.00 0.00 46.19 42.37 3ils s LEU 2022CO -0.08 -1.36 0.52 0.00 -1.32 0.00 0.00 176.35 174.10 3ils s ALA 2023N -1.33 -1.32 0.60 5.97 0.00 -1.26 -5.17 121.76 119.26 3ils s ALA 2023Ca 0.68 1.12 -0.15 0.00 0.00 0.00 0.00 51.96 53.61 3ils s ALA 2023Cb -0.38 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 3ils s ALA 2023CO 0.46 -0.29 1.06 -1.25 0.00 0.00 0.00 175.76 175.74 3ils s PRO 2024N -0.63 3.28 -0.07 0.00 0.04 -1.26 -4.96 135.00 131.39 3ils s PRO 2024Ca -0.07 1.18 -0.30 0.00 0.04 0.00 0.00 61.00 61.86 3ils s PRO 2024Cb -0.03 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 3ils s PRO 2024CO 0.05 -0.84 1.59 -1.17 0.04 0.00 0.00 177.00 176.67 3ils s LEU 2025N -4.59 4.30 -1.29 -3.56 2.96 -0.28 -4.91 118.68 111.31 3ils s LEU 2025Ca 0.63 2.16 -0.06 0.00 -0.22 0.00 0.00 54.13 56.63 3ils s LEU 2025Cb -0.16 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.06 3ils s LEU 2025CO 0.38 -0.90 2.58 1.41 -1.32 0.00 0.00 176.35 178.51 3ils n HIS 2026N 6.98 2.42 -4.59 5.38 8.25 -1.26 -4.88 115.22 127.52 3ils n HIS 2026Ca 0.17 -2.79 -0.24 0.00 -0.26 0.00 0.00 57.72 54.60 3ils n HIS 2026Cb 0.43 -1.94 -0.16 0.00 1.12 0.00 0.00 29.99 29.44 3ils n HIS 2026CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ils s ALA 2027N -0.41 1.20 0.24 -1.41 0.00 -1.26 -4.82 121.76 115.30 3ils s ALA 2027Ca 0.58 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 52.06 3ils s ALA 2027Cb 0.20 -0.48 0.28 0.00 0.00 0.00 0.00 23.12 23.12 3ils s ALA 2027CO -0.09 0.16 1.73 0.00 0.00 0.00 0.00 175.76 177.55 3ils h ARG 2028N 6.62 0.83 -5.10 0.00 3.08 -2.00 -3.38 114.38 114.42 3ils h ARG 2028Ca -0.32 -0.24 -0.66 0.00 0.07 0.00 0.00 59.98 58.83 3ils h ARG 2028Cb 1.18 -0.09 -0.16 0.00 0.08 0.00 0.00 29.97 30.98 3ils h ARG 2028CO 0.48 0.85 -0.14 0.50 -1.07 0.00 0.00 179.97 180.58 3ils s ARG 2029N -4.94 3.53 0.38 0.04 3.52 -1.26 -5.06 118.95 115.16 3ils s ARG 2029Ca -0.10 -0.33 -0.23 0.00 -0.13 0.00 0.00 55.73 54.94 3ils s ARG 2029Cb 0.14 -3.83 -0.10 0.00 -1.56 0.00 0.00 34.95 29.60 3ils s ARG 2029CO 0.82 -0.64 0.95 -1.64 -0.81 0.00 0.00 175.30 173.98 3ils s MET 2030N 2.25 4.39 0.82 5.12 -1.94 -1.26 -4.84 119.30 123.84 3ils s MET 2030Ca 0.16 1.23 -0.12 0.00 -1.71 0.00 0.00 55.69 55.25 3ils s MET 2030Cb -0.16 -2.48 0.09 0.00 2.01 0.00 0.00 34.83 34.28 3ils s MET 2030CO 0.13 0.11 1.15 -1.25 -0.01 0.00 0.00 175.02 175.15 3ils s PRO 2031N -2.63 1.85 -0.52 2.03 0.04 -1.24 -4.93 135.00 129.61 3ils s PRO 2031Ca 0.56 0.23 -0.23 0.00 0.04 0.00 0.00 61.00 61.61 3ils s PRO 2031Cb -0.14 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.52 3ils s PRO 2031CO 0.19 -1.70 0.82 0.15 0.04 0.00 0.00 177.00 176.50 3ils s LYS 2032N -5.45 3.29 0.12 4.56 1.02 0.25 -4.25 119.74 119.28 3ils s LYS 2032Ca 0.62 -0.41 -0.19 0.00 0.02 0.00 0.00 55.97 56.02 3ils s LYS 2032Cb -0.12 -4.04 -0.07 0.00 -0.52 0.00 0.00 37.83 33.08 3ils s LYS 2032CO 0.51 -1.34 0.60 0.08 -0.92 0.00 0.00 175.35 174.28 3ils s VAL 2033N 3.45 4.72 -0.08 3.17 1.01 -0.60 -2.61 120.40 129.46 3ils s VAL 2033Ca 0.26 1.17 0.03 0.00 0.00 0.00 0.00 61.98 63.44 3ils s VAL 2033Cb -0.14 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3ils s VAL 2033CO 0.18 0.43 -0.19 -0.83 0.00 0.00 0.00 175.10 174.69 3ils s GLY 2034N -1.34 1.08 -0.03 4.51 0.00 0.12 -0.48 107.32 111.18 3ils s GLY 2034Ca 0.34 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 44.35 3ils s GLY 2034CO 0.20 -0.18 -0.09 -0.42 0.00 0.00 0.00 173.10 172.61 3ils s ILE 2035N 0.40 0.82 -0.17 0.90 1.01 -0.42 -0.01 121.20 123.73 3ils s ILE 2035Ca -0.15 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.13 3ils s ILE 2035Cb -0.16 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.57 3ils s ILE 2035CO 0.06 0.26 -0.14 -0.69 0.00 0.00 0.00 174.94 174.43 3ils s VAL 2036N 0.26 2.69 -0.20 2.92 1.01 -0.28 -1.01 120.40 125.80 3ils s VAL 2036Ca -0.04 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 3ils s VAL 2036Cb -0.10 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 3ils s VAL 2036CO 0.01 0.50 -0.03 0.26 0.00 0.00 0.00 175.10 175.84 3ils s TRP 2037N 1.00 2.99 0.16 5.22 0.23 -0.61 0.60 118.94 128.54 3ils s TRP 2037Ca -0.02 -0.61 -0.30 0.00 -2.03 0.00 0.00 56.10 53.14 3ils s TRP 2037Cb -0.15 -2.06 -0.08 0.00 0.03 0.00 0.00 33.47 31.21 3ils s TRP 2037CO -0.03 -0.32 1.27 0.00 0.96 0.00 0.00 176.95 178.83 3ils s ALA 2038N 1.06 3.48 -0.16 0.98 0.00 -1.26 -1.44 121.76 124.42 3ils s ALA 2038Ca 0.01 1.02 0.17 0.00 0.00 0.00 0.00 51.96 53.16 3ils s ALA 2038Cb -0.15 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 3ils s ALA 2038CO 0.01 -0.48 1.17 0.00 0.00 0.00 0.00 175.76 176.46 3ils h ALA 2039N 5.76 0.66 -1.89 0.00 0.00 -1.22 -3.43 119.26 119.14 3ils h ALA 2039Ca -0.44 -0.54 -0.57 0.00 0.00 0.00 0.00 54.91 53.36 3ils h ALA 2039Cb 1.21 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 3ils h ALA 2039CO 0.78 0.65 -0.58 -0.51 0.00 0.00 0.00 179.25 179.59 3ils s ASP 2040N -6.07 4.40 0.14 0.00 1.01 -0.19 -4.46 116.67 111.50 3ils s ASP 2040Ca 0.01 -0.91 0.07 0.00 0.71 0.00 0.00 52.55 52.43 3ils s ASP 2040Cb 0.08 -0.61 -0.04 0.00 1.01 0.00 0.00 42.92 43.36 3ils s ASP 2040CO 0.77 -0.28 -0.02 0.42 0.21 0.00 0.00 175.17 176.27 3ils s THR 2041N -2.48 3.72 0.14 -1.27 -4.23 -1.26 -4.06 115.64 106.20 3ils s THR 2041Ca 0.36 -1.28 -0.17 0.00 -1.18 0.00 0.00 61.69 59.42 3ils s THR 2041Cb -0.01 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 71.00 3ils s THR 2041CO 0.21 -0.00 1.79 0.58 -0.54 0.00 0.00 174.62 176.65 3ils h VAL 2042N 2.73 1.04 -2.94 2.29 2.07 -1.94 -3.44 116.25 116.07 3ils h VAL 2042Ca -0.48 -0.14 -0.63 0.00 0.82 0.00 0.00 66.70 66.28 3ils h VAL 2042Cb 1.19 0.61 -0.15 0.00 -1.52 0.00 0.00 31.29 31.41 3ils h VAL 2042CO 0.57 0.07 -0.75 -0.04 0.02 0.00 0.00 177.57 177.45 3ils s MET 2043N -6.16 1.89 0.30 1.57 -1.94 -1.26 -5.10 119.30 108.61 3ils s MET 2043Ca -0.13 -1.39 -0.29 0.00 -1.71 0.00 0.00 55.69 52.17 3ils s MET 2043Cb 0.10 -2.04 -0.10 0.00 2.01 0.00 0.00 34.83 34.80 3ils s MET 2043CO 0.71 0.41 1.23 0.34 -0.01 0.00 0.00 175.02 177.70 3ils s ASP 2044N -2.90 6.96 0.54 3.03 2.15 -1.26 -4.84 116.67 120.35 3ils s ASP 2044Ca 0.25 2.52 0.26 0.00 0.43 0.00 0.00 52.55 56.00 3ils s ASP 2044Cb -0.08 -2.64 1.42 0.00 -0.30 0.00 0.00 42.92 41.32 3ils s ASP 2044CO 0.14 -0.39 2.00 -0.33 -0.17 0.00 0.00 175.17 176.42 3ils h GLU 2045N 3.66 0.00 0.00 4.34 5.08 -1.97 0.27 114.58 125.96 3ils h GLU 2045Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3ils h GLU 2045Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3ils h GLU 2045CO 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.68 3ils h ARG 2046N 0.00 0.00 0.00 2.33 3.08 -1.96 -2.85 114.38 114.98 3ils h ARG 2046Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3ils h ARG 2046Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 3ils h ARG 2046CO -0.00 0.00 -0.98 -0.25 -1.07 0.00 0.00 179.97 177.67 3ils n ASP 2047N -3.04 0.83 -4.72 7.04 8.00 0.88 -5.01 116.55 120.53 3ils n ASP 2047Ca 0.01 -0.79 -0.34 0.00 0.71 0.00 0.00 54.79 54.38 3ils n ASP 2047Cb 0.32 1.12 0.10 0.00 -0.02 0.00 0.00 41.12 42.64 3ils n ASP 2047CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ils s ALA 2048N -2.76 2.08 0.44 2.24 0.00 -0.84 -4.97 121.76 117.95 3ils s ALA 2048Ca 0.05 0.81 -0.24 0.00 0.00 0.00 0.00 51.96 52.59 3ils s ALA 2048Cb 0.13 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 3ils s ALA 2048CO 0.73 -1.93 1.15 -1.25 0.00 0.00 0.00 175.76 174.47 3ils s PRO 2049N -4.02 3.87 0.21 0.00 0.04 -1.26 -4.97 135.00 128.86 3ils s PRO 2049Ca 0.73 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 63.22 3ils s PRO 2049Cb -0.28 -2.48 -0.09 0.00 0.04 0.00 0.00 34.50 31.70 3ils s PRO 2049CO 0.47 -0.45 1.25 0.15 0.04 0.00 0.00 177.00 178.46 3ils s LYS 2050N -2.59 4.44 0.21 4.56 3.01 -1.26 -5.03 119.74 123.07 3ils s LYS 2050Ca 0.61 1.98 0.07 0.00 -1.01 0.00 0.00 55.97 57.63 3ils s LYS 2050Cb -0.28 -3.20 -0.05 0.00 -1.01 0.00 0.00 37.83 33.29 3ils s LYS 2050CO 0.35 -0.16 -0.12 -1.64 0.51 0.00 0.00 175.35 174.29 3ils s MET 2051N -0.36 1.32 0.26 1.68 -1.94 -1.26 -5.04 119.30 113.96 3ils s MET 2051Ca 0.54 -1.60 0.14 0.00 -1.71 0.00 0.00 55.69 53.06 3ils s MET 2051Cb -0.35 -1.04 0.05 0.00 2.01 0.00 0.00 34.83 35.51 3ils s MET 2051CO 0.39 0.14 1.43 0.87 -0.01 0.00 0.00 175.02 177.84 3ils h LYS 2052N 2.55 0.00 0.00 2.03 1.57 -1.98 -3.47 116.57 117.27 3ils h LYS 2052Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3ils h LYS 2052Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3ils h LYS 2052CO 0.63 0.56 0.00 0.41 -0.57 0.00 0.00 179.45 180.48 3ils n GLY 2053N 1.20 4.33 3.89 3.86 0.00 -1.26 -5.16 105.19 112.05 3ils n GLY 2053Ca 0.02 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 3ils n GLY 2053CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ils s MET 2054N -1.49 3.01 -0.20 1.61 -1.94 -1.26 -5.09 119.30 113.94 3ils s MET 2054Ca 0.00 0.40 -0.10 0.00 -1.71 0.00 0.00 55.69 54.29 3ils s MET 2054Cb 0.00 -2.09 0.07 0.00 2.01 0.00 0.00 34.83 34.82 3ils s MET 2054CO 0.00 -0.87 0.46 -1.58 -0.01 0.00 0.00 175.02 173.02 3ils s HIS 2055N -3.24 -0.75 -0.54 -0.03 2.46 -1.26 -4.93 115.29 107.00 3ils s HIS 2055Ca 0.56 1.51 0.06 0.00 0.47 0.00 0.00 55.06 57.67 3ils s HIS 2055Cb -0.11 0.35 0.34 0.00 -0.13 0.00 0.00 32.58 33.03 3ils s HIS 2055CO 0.51 -0.42 1.11 1.97 -2.47 0.00 0.00 174.74 175.44 3ils n PHE 2056N 4.62 0.21 0.14 3.88 -1.74 -1.26 -0.49 117.46 122.82 3ils n PHE 2056Ca -0.18 0.11 0.07 0.00 -0.56 0.00 0.00 57.45 56.89 3ils n PHE 2056Cb 0.54 -0.58 0.14 0.00 1.52 0.00 0.00 39.48 41.11 3ils n PHE 2056CO 0.00 0.00 0.00 -1.33 -0.56 0.00 0.00 176.76 174.87 3ils n MET 2057N -1.67 2.07 -0.05 3.97 2.81 -1.26 -4.62 117.12 118.37 3ils n MET 2057Ca -0.00 -1.87 -0.11 0.00 -1.81 0.00 0.00 57.70 53.90 3ils n MET 2057Cb 0.13 -1.33 -0.04 0.00 -0.71 0.00 0.00 33.22 31.27 3ils n MET 2057CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3ils n ILE 2058N 0.86 0.57 -3.03 2.02 2.08 0.35 -4.55 119.36 117.65 3ils n ILE 2058Ca 0.13 -0.15 -0.40 0.00 0.56 0.00 0.00 62.75 62.89 3ils n ILE 2058Cb 0.44 -1.61 -0.05 0.00 -0.75 0.00 0.00 39.64 37.67 3ils n ILE 2058CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 3ils s GLN 2059N -2.19 4.44 0.30 0.38 1.11 -1.03 -4.63 119.66 118.05 3ils s GLN 2059Ca -0.14 0.91 -0.30 0.00 0.01 0.00 0.00 55.36 55.84 3ils s GLN 2059Cb 0.05 -3.44 -0.11 0.00 -1.01 0.00 0.00 33.01 28.50 3ils s GLN 2059CO 0.18 0.08 1.57 0.21 0.01 0.00 0.00 175.29 177.34 3ils s LYS 2060N 0.73 4.13 0.33 2.91 2.20 -1.26 -4.84 119.74 123.94 3ils s LYS 2060Ca 0.38 2.56 -0.27 0.00 -0.36 0.00 0.00 55.97 58.28 3ils s LYS 2060Cb -0.18 -3.02 -0.09 0.00 -1.51 0.00 0.00 37.83 33.03 3ils s LYS 2060CO 0.19 -0.61 1.11 0.50 -0.36 0.00 0.00 175.35 176.18 3ils s ARG 2061N -0.75 4.41 0.00 4.03 3.52 -1.26 -4.93 118.95 123.97 3ils s ARG 2061Ca 0.61 1.75 0.00 0.00 -0.13 0.00 0.00 55.73 57.97 3ils s ARG 2061Cb -0.47 -2.94 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 3ils s ARG 2061CO 0.50 0.02 0.00 0.25 -0.81 0.00 0.00 175.30 175.26 3ils n THR 2062N 0.67 0.00 -3.55 4.11 -2.24 -1.26 -4.99 114.28 107.02 3ils n THR 2062Ca 0.01 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 3ils n THR 2062Cb 0.46 0.43 -0.11 0.00 -2.10 0.00 0.00 70.33 69.02 3ils n THR 2062CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ils s GLU 2063N -1.44 3.15 -0.14 -0.78 2.56 -1.26 -4.97 118.70 115.82 3ils s GLU 2063Ca 0.00 -0.87 0.15 0.00 0.00 0.00 0.00 54.97 54.25 3ils s GLU 2063Cb 0.00 -3.79 0.52 0.00 2.00 0.00 0.00 34.13 32.87 3ils s GLU 2063CO 0.00 -0.59 1.43 1.19 -0.56 0.00 0.00 175.26 176.73 3ils n PHE 2064N 5.07 0.98 -0.98 5.30 3.72 -1.26 -4.87 117.46 125.42 3ils n PHE 2064Ca -0.12 -0.76 0.00 0.00 -0.05 0.00 0.00 57.45 56.52 3ils n PHE 2064Cb 0.48 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 3ils n PHE 2064CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ils n GLY 2065N -0.06 0.88 0.30 1.37 0.00 -1.26 -4.90 105.19 101.51 3ils n GLY 2065Ca 0.20 -1.83 0.15 0.00 0.00 0.00 0.00 46.02 44.54 3ils n GLY 2065CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ils h PRO 2066N 0.00 0.00 -6.96 1.61 0.11 -1.99 -3.47 132.00 121.30 3ils h PRO 2066Ca 0.00 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.51 3ils h PRO 2066Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 30.96 3ils h PRO 2066CO 0.00 0.00 -0.97 -3.47 -0.21 0.00 0.00 178.00 173.35 3ils n ASP 2067N -3.90 -0.27 0.00 -2.05 2.03 -1.26 -1.78 116.55 109.32 3ils n ASP 2067Ca -0.03 -1.24 0.00 0.00 0.52 0.00 0.00 54.79 54.04 3ils n ASP 2067Cb 0.09 -1.85 0.00 0.00 -0.72 0.00 0.00 41.12 38.63 3ils n ASP 2067CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ils n GLY 2068N -2.40 2.40 0.29 0.27 0.00 -1.26 -4.74 105.19 99.75 3ils n GLY 2068Ca -0.28 -0.59 0.16 0.00 0.00 0.00 0.00 46.02 45.31 3ils n GLY 2068CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3ils h TRP 2069N 0.00 0.00 0.00 1.61 4.06 -1.74 -0.38 115.95 119.50 3ils h TRP 2069Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3ils h TRP 2069Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3ils h TRP 2069CO 0.00 0.05 0.00 -0.40 -3.56 0.00 0.00 178.44 174.53 3ils n ASP 2070N -3.50 0.55 0.07 -3.49 5.75 -1.26 -2.33 116.55 112.35 3ils n ASP 2070Ca -0.02 0.55 -0.12 0.00 -0.01 0.00 0.00 54.79 55.19 3ils n ASP 2070Cb 0.16 -0.70 -0.13 0.00 -1.03 0.00 0.00 41.12 39.42 3ils n ASP 2070CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 3ils h THR 2071N 0.00 1.49 0.00 2.12 2.02 -1.45 -2.86 112.91 114.24 3ils h THR 2071Ca 0.00 -3.14 0.00 0.00 0.77 0.00 0.00 66.41 64.04 3ils h THR 2071Cb 0.66 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 3ils h THR 2071CO 0.00 0.89 -0.86 2.30 0.37 0.00 0.00 175.52 178.22 3ils n ILE 2072N -3.42 0.05 -3.17 3.11 -5.35 -1.21 -4.41 119.36 104.96 3ils n ILE 2072Ca -0.07 -0.09 -0.21 0.00 -0.27 0.00 0.00 62.75 62.11 3ils n ILE 2072Cb 1.00 0.48 -0.04 0.00 -1.74 0.00 0.00 39.64 39.33 3ils n ILE 2072CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 3ils n MET 2073N -1.66 1.31 -2.17 6.28 2.81 -0.98 -1.12 117.12 121.58 3ils n MET 2073Ca 0.04 -3.62 -0.41 0.00 -1.81 0.00 0.00 57.70 51.90 3ils n MET 2073Cb 0.37 -1.69 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 3ils n MET 2073CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3ils s PRO 2074N -2.25 4.37 0.00 0.03 0.04 -1.08 -3.01 135.00 133.10 3ils s PRO 2074Ca 0.40 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.56 3ils s PRO 2074Cb 0.28 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.67 3ils s PRO 2074CO -0.09 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.10 3ils n GLY 2075N 2.00 0.76 3.92 0.56 0.00 -1.26 -4.96 105.19 106.22 3ils n GLY 2075Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 3ils n GLY 2075CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ils s ALA 2076N -2.17 3.84 -0.06 4.61 0.00 -1.17 -4.83 121.76 121.98 3ils s ALA 2076Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 51.96 50.94 3ils s ALA 2076Cb 0.00 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 3ils s ALA 2076CO 0.00 0.49 0.65 0.45 0.00 0.00 0.00 175.76 177.35 3ils s SER 2077N -3.03 6.94 -0.21 0.00 0.15 -1.26 -4.98 113.70 111.32 3ils s SER 2077Ca 0.38 1.13 0.01 0.00 0.70 0.00 0.00 55.95 58.18 3ils s SER 2077Cb -0.11 -2.39 0.03 0.00 -1.71 0.00 0.00 66.02 61.84 3ils s SER 2077CO 0.28 -0.07 -0.16 -0.36 1.20 0.00 0.00 173.24 174.13 3ils s PHE 2078N 0.63 2.93 -0.54 3.44 0.08 -1.26 -1.56 117.98 121.70 3ils s PHE 2078Ca 0.35 -1.78 -0.19 0.00 0.12 0.00 0.00 56.93 55.43 3ils s PHE 2078Cb -0.17 -1.94 0.08 0.00 -0.57 0.00 0.00 43.02 40.42 3ils s PHE 2078CO 0.17 -0.81 0.65 0.34 -0.10 0.00 0.00 175.22 175.46 3ils s ASP 2079N 1.25 6.20 -0.13 1.36 -1.08 0.36 -5.00 116.67 119.64 3ils s ASP 2079Ca 0.01 -1.19 -0.01 0.00 -0.52 0.00 0.00 52.55 50.84 3ils s ASP 2079Cb -0.15 -2.29 -0.02 0.00 -1.46 0.00 0.00 42.92 39.00 3ils s ASP 2079CO -0.10 -0.98 -0.10 -0.63 0.52 0.00 0.00 175.17 173.88 3ils s ILE 2080N 2.58 3.38 -0.07 4.11 1.01 -1.26 -1.30 121.20 129.65 3ils s ILE 2080Ca 0.13 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.28 3ils s ILE 2080Cb -0.22 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 3ils s ILE 2080CO 0.09 0.52 -0.24 -0.69 0.00 0.00 0.00 174.94 174.62 3ils s VAL 2081N 0.19 2.03 -0.40 2.92 1.01 -0.18 -4.99 120.40 120.98 3ils s VAL 2081Ca -0.05 -1.04 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 3ils s VAL 2081Cb -0.15 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.53 3ils s VAL 2081CO 0.04 0.56 0.27 -0.60 0.00 0.00 0.00 175.10 175.37 3ils s ARG 2082N -0.02 2.91 -1.31 2.72 3.52 -1.26 -1.57 118.95 123.93 3ils s ARG 2082Ca -0.08 -1.05 -0.15 0.00 -0.13 0.00 0.00 55.73 54.32 3ils s ARG 2082Cb -0.15 -3.89 0.10 0.00 -1.56 0.00 0.00 34.95 29.46 3ils s ARG 2082CO 0.05 -0.74 1.79 0.00 -0.81 0.00 0.00 175.30 175.59 3ils n ALA 2083N 5.10 4.29 -1.77 6.12 0.00 -0.52 -4.97 120.51 128.76 3ils n ALA 2083Ca -0.11 -4.01 -0.41 0.00 0.00 0.00 0.00 53.44 48.91 3ils n ALA 2083Cb 0.47 -3.38 -0.00 0.00 0.00 0.00 0.00 19.45 16.53 3ils n ALA 2083CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ils s ASP 2084N 3.22 6.39 0.00 0.00 1.01 -1.26 -2.24 116.67 123.79 3ils s ASP 2084Ca 0.48 2.90 0.00 0.00 0.71 0.00 0.00 52.55 56.64 3ils s ASP 2084Cb 0.05 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.32 3ils s ASP 2084CO 0.02 -0.83 0.00 0.61 0.21 0.00 0.00 175.17 175.18 3ils n GLY 2085N 0.58 0.70 3.13 0.21 0.00 -1.26 -4.96 105.19 103.60 3ils n GLY 2085Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 3ils n GLY 2085CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ils s ALA 2086N -2.74 1.11 0.57 4.61 0.00 -0.95 -4.96 121.76 119.40 3ils s ALA 2086Ca 0.00 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.20 3ils s ALA 2086Cb 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.01 3ils s ALA 2086CO 0.00 0.20 0.44 0.54 0.00 0.00 0.00 175.76 176.94 3ils s ASN 2087N -1.17 4.63 0.33 0.00 2.20 -1.26 -1.02 114.94 118.65 3ils s ASN 2087Ca 0.01 -1.28 0.10 0.00 -0.94 0.00 0.00 52.86 50.75 3ils s ASN 2087Cb -0.08 0.55 0.98 0.00 -2.00 0.00 0.00 41.25 40.70 3ils s ASN 2087CO 0.01 -1.19 1.62 -0.74 -2.94 0.00 0.00 177.10 173.86 3ils h HIS 2088N 0.65 0.53 0.05 1.54 -0.00 -1.92 -2.08 115.15 113.92 3ils h HIS 2088Ca -0.36 0.05 -0.34 0.00 -0.00 0.00 0.00 60.37 59.73 3ils h HIS 2088Cb 1.31 -0.07 -0.04 0.00 -0.00 0.00 0.00 27.41 28.61 3ils h HIS 2088CO 1.01 -0.32 -1.88 1.19 -0.00 0.00 0.00 177.93 177.93 3ils n PHE 2089N -5.25 0.85 0.26 5.26 3.72 -1.26 -4.23 117.46 116.81 3ils n PHE 2089Ca 0.29 0.26 0.11 0.00 -0.05 0.00 0.00 57.45 58.06 3ils n PHE 2089Cb 0.93 -1.10 0.55 0.00 -0.94 0.00 0.00 39.48 38.92 3ils n PHE 2089CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3ils n THR 2090N -3.89 0.95 0.14 4.37 -2.24 -1.16 -1.51 114.28 110.95 3ils n THR 2090Ca -0.37 0.52 0.05 0.00 -2.27 0.00 0.00 64.05 61.98 3ils n THR 2090Cb 0.89 -1.49 0.50 0.00 -2.10 0.00 0.00 70.33 68.13 3ils n THR 2090CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3ils h LEU 2091N 0.00 0.21 -0.90 3.22 5.85 -1.55 -1.56 115.31 120.58 3ils h LEU 2091Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3ils h LEU 2091Cb 0.16 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3ils h LEU 2091CO 0.00 0.22 -0.04 0.23 -0.34 0.00 0.00 178.44 178.51 3ils n MET 2092N -4.44 1.54 -3.08 1.25 2.81 -0.57 -2.75 117.12 111.88 3ils n MET 2092Ca -0.00 -0.90 -0.32 0.00 -1.81 0.00 0.00 57.70 54.67 3ils n MET 2092Cb 0.13 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.11 3ils n MET 2092CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3ils s GLN 2093N -2.08 3.92 0.47 0.03 -0.21 -0.59 -4.65 119.66 116.55 3ils s GLN 2093Ca 0.36 0.57 0.36 0.00 0.02 0.00 0.00 55.36 56.67 3ils s GLN 2093Cb 0.21 -2.44 1.52 0.00 1.00 0.00 0.00 33.01 33.30 3ils s GLN 2093CO 0.36 0.12 1.61 1.57 -2.12 0.00 0.00 175.29 176.83 3ils h LYS 2094N 1.99 0.04 -0.91 2.91 2.10 -1.90 0.30 116.57 121.10 3ils h LYS 2094Ca -0.48 -0.00 0.14 0.00 -2.00 0.00 0.00 60.65 58.32 3ils h LYS 2094Cb 1.18 -0.01 -0.07 0.00 -0.90 0.00 0.00 32.23 32.42 3ils h LYS 2094CO 0.65 0.03 0.58 0.93 -2.00 0.00 0.00 179.45 179.64 3ils h GLU 2095N 0.05 0.70 0.00 0.07 3.07 -1.92 -3.34 114.58 113.21 3ils h GLU 2095Ca 0.85 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.67 3ils h GLU 2095Cb 2.89 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 30.64 3ils h GLU 2095CO -0.32 0.46 -0.69 0.72 -1.40 0.00 0.00 179.01 177.79 3ils n HIS 2096N -4.57 0.00 -0.32 4.33 8.25 0.86 -4.85 115.22 118.92 3ils n HIS 2096Ca 0.18 0.00 0.35 0.00 -0.26 0.00 0.00 57.72 57.99 3ils n HIS 2096Cb 0.47 0.00 0.63 0.00 1.12 0.00 0.00 29.99 32.21 3ils n HIS 2096CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3ils h VAL 2097N 0.00 0.12 0.00 1.59 3.04 -0.83 -1.51 116.25 118.65 3ils h VAL 2097Ca 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 3ils h VAL 2097Cb 0.00 0.16 -0.00 0.00 -2.01 0.00 0.00 31.29 29.44 3ils h VAL 2097CO 0.00 0.00 -0.15 0.77 -1.01 0.00 0.00 177.57 177.18 3ils h SER 2098N 0.00 0.00 0.11 3.17 4.64 -1.86 -2.04 113.55 117.57 3ils h SER 2098Ca 0.58 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.83 3ils h SER 2098Cb 2.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.86 3ils h SER 2098CO -0.01 0.15 -0.23 0.16 -0.87 0.00 0.00 176.83 176.03 3ils h ILE 2099N 0.00 1.22 -0.09 0.95 3.07 -1.66 -0.83 117.51 120.18 3ils h ILE 2099Ca -0.00 -1.03 -0.03 0.00 1.55 0.00 0.00 64.86 65.35 3ils h ILE 2099Cb 0.38 1.38 -0.00 0.00 -0.27 0.00 0.00 36.82 38.31 3ils h ILE 2099CO 0.02 0.31 -0.06 0.40 -1.05 0.00 0.00 178.15 177.78 3ils h ILE 2100N 0.20 1.34 0.00 0.16 2.04 -1.55 -2.15 117.51 117.55 3ils h ILE 2100Ca 0.03 -1.13 -0.07 0.00 1.00 0.00 0.00 64.86 64.69 3ils h ILE 2100Cb 0.52 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 3ils h ILE 2100CO 0.04 0.32 -0.35 0.77 0.00 0.00 0.00 178.15 178.92 3ils h SER 2101N -0.20 0.00 -0.27 1.72 4.64 -1.43 -1.81 113.55 116.20 3ils h SER 2101Ca 0.02 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.20 3ils h SER 2101Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3ils h SER 2101CO 0.02 0.35 -0.33 0.44 -0.87 0.00 0.00 176.83 176.44 3ils h ASP 2102N 0.00 0.82 -0.36 4.97 3.32 -1.09 -2.12 116.42 121.96 3ils h ASP 2102Ca -0.00 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 3ils h ASP 2102Cb 0.66 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3ils h ASP 2102CO 0.05 1.08 0.13 0.25 -1.72 0.00 0.00 179.24 179.03 3ils h LEU 2103N 0.66 0.51 -0.60 1.55 5.85 -0.91 -2.13 115.31 120.25 3ils h LEU 2103Ca 0.07 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3ils h LEU 2103Cb 0.87 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3ils h LEU 2103CO 0.08 0.56 0.37 0.40 -0.34 0.00 0.00 178.44 179.50 3ils h ILE 2104N 0.44 1.17 -0.26 4.05 2.04 -1.26 -0.06 117.51 123.63 3ils h ILE 2104Ca 0.12 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3ils h ILE 2104Cb 0.22 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3ils h ILE 2104CO -0.01 0.17 0.07 0.44 0.00 0.00 0.00 178.15 178.83 3ils h ASP 2105N 0.81 0.33 0.10 1.72 3.32 -1.21 -0.57 116.42 120.91 3ils h ASP 2105Ca 0.21 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3ils h ASP 2105Cb -0.04 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3ils h ASP 2105CO -0.04 0.34 -0.05 0.03 -1.72 0.00 0.00 179.24 177.80 3ils h ARG 2106N 0.37 -0.12 -0.31 3.56 3.08 -0.66 -1.01 114.38 119.29 3ils h ARG 2106Ca 0.09 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3ils h ARG 2106Cb 0.14 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3ils h ARG 2106CO -0.00 0.40 0.17 0.28 -1.07 0.00 0.00 179.97 179.74 3ils h VAL 2107N -0.82 1.10 -0.42 2.04 2.07 -0.92 -2.90 116.25 116.40 3ils h VAL 2107Ca -0.01 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3ils h VAL 2107Cb 0.58 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3ils h VAL 2107CO 0.02 0.11 0.00 0.23 0.02 0.00 0.00 177.57 177.95 3ils n MET 2108N -4.45 2.66 0.00 1.57 2.81 -0.23 -4.93 117.12 114.55 3ils n MET 2108Ca 0.02 -2.15 0.00 0.00 -1.81 0.00 0.00 57.70 53.76 3ils n MET 2108Cb 0.10 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 3ils n MET 2108CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48