#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b0h s ILE 1838N 0.00 -0.40 -0.16 -0.61 1.10 -1.26 -4.83 121.20 115.04 2b0h s ILE 1838Ca 0.00 0.00 -0.13 0.00 -0.51 0.00 0.00 60.65 60.01 2b0h s ILE 1838Cb 0.00 -1.00 -0.05 0.00 0.15 0.00 0.00 42.46 41.56 2b0h s ILE 1838CO 0.00 0.00 0.27 -0.62 -2.11 0.00 0.00 174.94 172.48 2b0h s ASP 1839N 2.12 6.42 0.52 4.50 -1.08 -1.26 -4.99 116.67 122.90 2b0h s ASP 1839Ca -0.08 0.49 0.30 0.00 -0.52 0.00 0.00 52.55 52.74 2b0h s ASP 1839Cb -0.07 -2.17 1.28 0.00 -1.46 0.00 0.00 42.92 40.50 2b0h s ASP 1839CO -0.19 0.13 1.96 1.55 0.52 0.00 0.00 175.17 179.14 2b0h h PRO 1840N 6.51 0.00 0.00 4.34 0.13 -2.01 -3.38 132.00 137.59 2b0h h PRO 1840Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2b0h h PRO 1840Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2b0h h PRO 1840CO 0.74 0.09 -0.49 1.19 -0.23 0.00 0.00 178.00 179.30 2b0h n PHE 1841N -3.24 0.00 -3.66 1.56 3.72 -1.26 -5.09 117.46 109.48 2b0h n PHE 1841Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 2b0h n PHE 1841Cb 0.33 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.85 2b0h n PHE 1841CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2b0h s THR 1842N -1.49 4.31 0.03 4.37 -4.23 -1.26 -5.10 115.64 112.26 2b0h s THR 1842Ca 0.00 -1.06 -0.13 0.00 -1.18 0.00 0.00 61.69 59.32 2b0h s THR 1842Cb 0.00 -3.49 -0.06 0.00 1.34 0.00 0.00 72.50 70.29 2b0h s THR 1842CO 0.00 -0.21 0.40 0.00 -0.54 0.00 0.00 174.62 174.28 2b0h s MET 1843N -4.09 3.86 0.00 3.99 0.23 -1.26 -4.51 119.30 117.52 2b0h s MET 1843Ca 0.41 0.33 0.00 0.00 -1.03 0.00 0.00 55.69 55.40 2b0h s MET 1843Cb -0.09 -3.14 0.00 0.00 -1.53 0.00 0.00 34.83 30.08 2b0h s MET 1843CO 0.30 0.64 0.00 0.41 -2.03 0.00 0.00 175.02 174.34 2b0h n GLY 1844N 1.49 0.62 3.13 3.16 0.00 -1.26 -5.07 105.19 107.26 2b0h n GLY 1844Ca -0.12 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 43.68 2b0h n GLY 1844CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b0h s ASP 1845N 0.00 0.05 0.00 1.61 2.15 -1.26 -4.41 116.67 114.81 2b0h s ASP 1845Ca 0.00 -0.30 -0.00 0.00 0.43 0.00 0.00 52.55 52.68 2b0h s ASP 1845Cb 0.00 0.23 -0.01 0.00 -0.30 0.00 0.00 42.92 42.84 2b0h s ASP 1845CO 0.00 -0.45 0.45 -2.65 -0.17 0.00 0.00 175.17 172.36 2b0h n PRO 1846N 1.12 0.17 -0.01 4.34 -0.02 -1.26 -3.06 135.00 136.28 2b0h n PRO 1846Ca -0.21 -0.04 0.07 0.00 -2.02 0.00 0.00 63.50 61.31 2b0h n PRO 1846Cb 0.57 -1.47 -0.11 0.00 -0.02 0.00 0.00 33.50 32.46 2b0h n PRO 1846CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2b0h n GLU 1847N 2.22 0.61 0.00 -0.52 -0.00 -1.26 -5.08 120.64 116.61 2b0h n GLU 1847Ca 0.02 -0.12 0.00 0.00 -0.00 0.00 0.00 57.16 57.05 2b0h n GLU 1847Cb 0.08 -1.34 0.00 0.00 -0.00 0.00 0.00 31.44 30.18 2b0h n GLU 1847CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2b0h n GLY 1848N 1.62 1.21 0.00 -1.84 0.00 -1.17 -4.58 105.19 100.43 2b0h n GLY 1848Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2b0h n GLY 1848CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2b0h n SER 1849N 0.00 0.00 0.31 1.61 7.64 -1.26 -4.86 113.62 117.06 2b0h n SER 1849Ca 0.00 -1.00 0.20 0.00 1.01 0.00 0.00 58.87 59.08 2b0h n SER 1849Cb 0.00 0.00 0.96 0.00 -1.01 0.00 0.00 64.21 64.16 2b0h n SER 1849CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2b0h h PHE 1850N 0.00 0.00 -0.86 1.43 3.57 -1.88 -2.65 116.94 116.55 2b0h h PHE 1850Ca 0.00 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.68 2b0h h PHE 1850Cb 0.86 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.54 2b0h h PHE 1850CO 0.00 0.01 0.57 -0.39 -2.23 0.00 0.00 178.31 176.27 2b0h h VAL 1851N 0.00 0.73 0.06 1.41 -1.51 -1.93 0.27 116.25 115.29 2b0h h VAL 1851Ca -0.00 -0.15 -0.14 0.00 -1.23 0.00 0.00 66.70 65.18 2b0h h VAL 1851Cb 0.24 0.25 0.01 0.00 -2.13 0.00 0.00 31.29 29.66 2b0h h VAL 1851CO 0.00 0.08 -0.57 -0.78 -1.23 0.00 0.00 177.57 175.07 2b0h h ASP 1852N 0.45 0.40 -0.60 4.19 3.58 -1.90 -2.43 116.42 120.09 2b0h h ASP 1852Ca 0.44 -0.87 -0.01 0.00 0.42 0.00 0.00 57.03 57.00 2b0h h ASP 1852Cb 1.02 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.91 2b0h h ASP 1852CO -0.16 1.23 0.34 1.88 -2.88 0.00 0.00 179.24 179.64 2b0h h TYR 1853N -0.38 0.84 0.67 0.28 -1.99 -1.46 -0.67 116.97 114.27 2b0h h TYR 1853Ca -0.09 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.60 2b0h h TYR 1853Cb 1.37 -0.27 0.01 0.00 2.00 0.00 0.00 36.73 39.83 2b0h h TYR 1853CO 0.19 0.59 -0.32 0.37 -0.00 0.00 0.00 178.16 178.99 2b0h h GLN 1854N 0.87 -0.87 -0.87 4.88 4.15 -0.56 -3.21 115.11 119.49 2b0h h GLN 1854Ca 0.22 0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.76 2b0h h GLN 1854Cb 0.03 0.20 -0.06 0.00 0.21 0.00 0.00 27.48 27.86 2b0h h GLN 1854CO -0.04 -0.55 0.55 1.15 -1.93 0.00 0.00 178.83 178.02 2b0h h THR 1855N -1.05 1.07 -0.83 2.39 2.02 -0.97 -1.45 112.91 114.10 2b0h h THR 1855Ca -0.09 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2b0h h THR 1855Cb 0.73 -0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 2b0h h THR 1855CO 0.15 0.19 0.54 0.00 0.37 0.00 0.00 175.52 176.77 2b0h h THR 1856N 1.02 1.22 0.03 3.16 1.03 -1.20 -1.65 112.91 116.51 2b0h h THR 1856Ca 0.37 -0.43 -0.24 0.00 -0.01 0.00 0.00 66.41 66.10 2b0h h THR 1856Cb 0.13 0.01 -0.03 0.00 -1.07 0.00 0.00 68.15 67.19 2b0h h THR 1856CO -0.16 0.22 -1.23 0.24 -0.01 0.00 0.00 175.52 174.58 2b0h h MET 1857N 1.14 0.06 -0.32 0.00 2.86 -1.43 -2.89 114.93 114.34 2b0h h MET 1857Ca 0.30 -0.10 -0.09 0.00 -2.06 0.00 0.00 59.70 57.76 2b0h h MET 1857Cb -0.10 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 2b0h h MET 1857CO -0.06 0.93 -0.17 -0.39 1.06 0.00 0.00 176.91 178.28 2b0h h VAL 1858N 0.02 1.25 -0.57 -2.22 -1.51 -1.04 0.31 116.25 112.49 2b0h h VAL 1858Ca -0.11 -1.15 -0.06 0.00 -1.23 0.00 0.00 66.70 64.15 2b0h h VAL 1858Cb 1.87 1.20 -0.03 0.00 -2.13 0.00 0.00 31.29 32.20 2b0h h VAL 1858CO 0.13 0.38 0.12 0.03 -1.23 0.00 0.00 177.57 177.00 2b0h h ARG 1859N 0.51 0.90 -0.15 5.19 2.47 -1.32 -1.96 114.38 120.01 2b0h h ARG 1859Ca 0.09 -0.20 -0.08 0.00 -1.26 0.00 0.00 59.98 58.52 2b0h h ARG 1859Cb 0.59 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.78 2b0h h ARG 1859CO 0.04 0.82 -0.23 1.15 0.56 0.00 0.00 179.97 182.30 2b0h h THR 1860N 0.86 1.36 -0.86 2.04 2.02 -1.13 -2.53 112.91 114.66 2b0h h THR 1860Ca 0.18 -1.46 0.01 0.00 0.77 0.00 0.00 66.41 65.91 2b0h h THR 1860Cb 0.34 1.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.65 2b0h h THR 1860CO 0.00 0.43 0.57 0.00 0.37 0.00 0.00 175.52 176.90 2b0h h ALA 1861N 0.58 1.09 0.00 6.16 0.00 -0.28 0.10 119.26 126.91 2b0h h ALA 1861Ca 0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2b0h h ALA 1861Cb 0.80 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2b0h h ALA 1861CO 0.05 0.50 -0.32 0.87 0.00 0.00 0.00 179.25 180.35 2b0h h LYS 1862N 1.17 0.00 -0.10 0.00 1.57 -1.37 0.13 116.57 117.96 2b0h h LYS 1862Ca 0.31 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.88 2b0h h LYS 1862Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2b0h h LYS 1862CO -0.07 0.32 -0.79 0.00 -0.57 0.00 0.00 179.45 178.34 2b0h h ALA 1863N 1.68 0.41 -0.51 3.86 0.00 -0.74 -2.76 119.26 121.21 2b0h h ALA 1863Ca -0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 2b0h h ALA 1863Cb 0.60 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2b0h h ALA 1863CO 0.04 0.73 0.14 0.82 0.00 0.00 0.00 179.25 180.98 2b0h h ILE 1864N 0.40 1.23 -0.41 0.00 2.04 -0.35 -2.98 117.51 117.45 2b0h h ILE 1864Ca -0.05 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.03 2b0h h ILE 1864Cb 1.41 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 2b0h h ILE 1864CO 0.15 0.29 0.21 0.00 0.00 0.00 0.00 178.15 178.80 2b0h h ALA 1865N 1.01 0.51 -0.32 1.87 0.00 -0.94 -0.92 119.26 120.47 2b0h h ALA 1865Ca 0.16 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2b0h h ALA 1865Cb 0.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2b0h h ALA 1865CO -0.00 -0.15 -0.03 -0.24 0.00 0.00 0.00 179.25 178.84 2b0h h VAL 1866N 0.42 1.20 0.14 0.00 3.04 -1.48 -0.45 116.25 119.11 2b0h h VAL 1866Ca 0.17 -0.82 -0.01 0.00 -1.01 0.00 0.00 66.70 65.04 2b0h h VAL 1866Cb 0.07 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 2b0h h VAL 1866CO -0.12 0.28 -0.07 0.74 -1.01 0.00 0.00 177.57 177.40 2b0h h THR 1867N 0.48 1.00 -0.14 3.17 2.02 -1.20 -0.10 112.91 118.14 2b0h h THR 1867Ca 0.10 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 2b0h h THR 1867Cb 0.35 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2b0h h THR 1867CO 0.01 0.14 -0.23 -0.37 0.37 0.00 0.00 175.52 175.44 2b0h h VAL 1868N -0.45 1.23 -0.03 3.16 -1.51 -0.97 0.17 116.25 117.85 2b0h h VAL 1868Ca -0.02 -1.05 -0.14 0.00 -1.23 0.00 0.00 66.70 64.27 2b0h h VAL 1868Cb 0.36 1.37 -0.02 0.00 -2.13 0.00 0.00 31.29 30.88 2b0h h VAL 1868CO 0.03 0.32 -0.62 -0.61 -1.23 0.00 0.00 177.57 175.46 2b0h h GLN 1869N 0.22 0.11 -0.13 5.19 5.75 -1.03 -2.64 115.11 122.59 2b0h h GLN 1869Ca 0.04 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 2b0h h GLN 1869Cb 0.53 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.09 2b0h h GLN 1869CO 0.04 0.69 -0.02 0.93 -2.65 0.00 0.00 178.83 177.82 2b0h h GLU 1870N 0.08 0.23 -0.84 1.69 5.08 0.29 -3.07 114.58 118.03 2b0h h GLU 1870Ca -0.01 -0.08 0.14 0.00 -1.00 0.00 0.00 59.36 58.40 2b0h h GLU 1870Cb 1.12 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.26 2b0h h GLU 1870CO 0.09 0.51 0.44 0.52 -1.00 0.00 0.00 179.01 179.57 2b0h h MET 1871N -0.06 0.63 -0.20 2.33 2.86 -0.41 0.75 114.93 120.83 2b0h h MET 1871Ca 0.03 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 2b0h h MET 1871Cb 0.41 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2b0h h MET 1871CO 0.01 0.42 -0.48 -0.39 1.06 0.00 0.00 176.91 177.52 2b0h h VAL 1872N 0.65 1.31 -0.37 -2.22 -1.51 -1.56 -1.98 116.25 110.57 2b0h h VAL 1872Ca 0.45 -1.70 -0.17 0.00 -1.23 0.00 0.00 66.70 64.05 2b0h h VAL 1872Cb 0.59 1.68 -0.00 0.00 -2.13 0.00 0.00 31.29 31.43 2b0h h VAL 1872CO -0.34 0.53 -0.42 0.74 -1.23 0.00 0.00 177.57 176.85 2b0h h THR 1873N 0.43 1.27 0.00 7.19 2.02 -0.75 -3.10 112.91 119.96 2b0h h THR 1873Ca 0.02 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.61 2b0h h THR 1873Cb 1.00 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 2b0h h THR 1873CO 0.09 0.53 0.00 0.11 0.37 0.00 0.00 175.52 176.62 2b0h h LYS 1874N 0.75 0.00 0.00 6.66 1.79 0.49 -2.99 116.57 123.27 2b0h h LYS 1874Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2b0h h LYS 1874Cb 1.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 2b0h h LYS 1874CO 0.10 0.00 0.00 0.66 -1.08 0.00 0.00 179.45 179.13 2b0h h SER 1875N 0.00 0.00 0.00 0.86 4.64 -1.28 0.41 113.55 118.18 2b0h h SER 1875Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2b0h h SER 1875Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2b0h h SER 1875CO 0.00 0.00 -0.26 0.78 -0.87 0.00 0.00 176.83 176.48 2b0h h ASN 1876N 0.00 0.00 -0.02 4.97 2.35 -1.71 -3.44 115.58 117.74 2b0h h ASN 1876Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2b0h h ASN 1876Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2b0h h ASN 1876CO 0.00 0.60 0.00 0.35 -1.65 0.00 0.00 177.43 176.73 2b0h n THR 1877N -4.56 0.25 -2.90 2.81 -2.24 -1.18 -4.80 114.28 101.66 2b0h n THR 1877Ca -0.04 -0.63 -0.13 0.00 -2.27 0.00 0.00 64.05 60.99 2b0h n THR 1877Cb 0.14 0.91 0.01 0.00 -2.10 0.00 0.00 70.33 69.28 2b0h n THR 1877CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2b0h n SER 1878N 0.01 0.85 0.00 3.42 7.64 0.14 -4.90 113.62 120.79 2b0h n SER 1878Ca 0.02 -2.88 0.14 0.00 1.01 0.00 0.00 58.87 57.16 2b0h n SER 1878Cb 0.11 -0.39 0.77 0.00 -1.01 0.00 0.00 64.21 63.69 2b0h n SER 1878CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2b0h n PRO 1879N 0.08 0.56 0.03 1.43 -0.04 -1.08 -3.23 135.00 132.76 2b0h n PRO 1879Ca 0.15 0.01 -0.19 0.00 -0.04 0.00 0.00 63.50 63.43 2b0h n PRO 1879Cb 0.75 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.56 2b0h n PRO 1879CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2b0h h GLU 1880N 0.00 0.28 0.00 0.54 4.39 -1.90 -3.30 114.58 114.59 2b0h h GLU 1880Ca 0.00 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2b0h h GLU 1880Cb 0.19 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2b0h h GLU 1880CO 0.00 1.21 0.00 -0.85 -1.16 0.00 0.00 179.01 178.21 2b0h n GLU 1881N -4.18 0.09 0.28 2.33 0.28 -1.20 -3.26 120.64 114.98 2b0h n GLU 1881Ca -0.13 0.15 0.12 0.00 -0.16 0.00 0.00 57.16 57.14 2b0h n GLU 1881Cb 0.77 -1.63 0.78 0.00 1.43 0.00 0.00 31.44 32.80 2b0h n GLU 1881CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2b0h h LEU 1882N 0.00 0.00 0.83 -1.84 3.38 -1.63 -1.16 115.31 114.90 2b0h h LEU 1882Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2b0h h LEU 1882Cb 0.50 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 2b0h h LEU 1882CO 0.00 0.01 -0.40 1.23 0.09 0.00 0.00 178.44 179.37 2b0h h GLY 1883N 0.05 -1.17 0.02 0.83 0.00 -1.75 -0.19 103.07 100.86 2b0h h GLY 1883Ca -0.00 0.43 0.21 0.00 0.00 0.00 0.00 47.33 47.98 2b0h h GLY 1883CO 0.00 -0.43 0.61 -2.55 0.00 0.00 0.00 176.54 174.18 2b0h h PRO 1884N -1.23 0.66 -0.52 4.80 0.11 -1.74 -0.99 132.00 133.09 2b0h h PRO 1884Ca -0.11 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.90 2b0h h PRO 1884Cb 0.86 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 2b0h h PRO 1884CO 0.19 0.44 0.11 -0.07 -0.21 0.00 0.00 178.00 178.46 2b0h h LEU 1885N 0.68 0.75 -0.53 2.35 3.38 -1.06 0.31 115.31 121.19 2b0h h LEU 1885Ca 0.60 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.37 2b0h h LEU 1885Cb 1.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2b0h h LEU 1885CO -0.41 0.75 0.08 0.00 0.09 0.00 0.00 178.44 178.95 2b0h h ALA 1886N 1.35 0.71 -0.50 1.53 0.00 0.28 0.50 119.26 123.14 2b0h h ALA 1886Ca 0.17 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2b0h h ALA 1886Cb 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2b0h h ALA 1886CO 0.00 0.46 -0.01 -0.91 0.00 0.00 0.00 179.25 178.79 2b0h h ASN 1887N 0.78 0.80 -0.10 0.00 4.21 -0.86 -1.30 115.58 119.11 2b0h h ASN 1887Ca 0.16 -0.20 -0.00 0.00 1.21 0.00 0.00 56.30 57.47 2b0h h ASN 1887Cb 0.42 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.40 2b0h h ASN 1887CO 0.01 0.87 0.05 -0.61 -1.29 0.00 0.00 177.43 176.47 2b0h h GLN 1888N 0.77 0.15 -0.70 0.81 5.75 0.03 0.12 115.11 122.04 2b0h h GLN 1888Ca 0.15 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.66 2b0h h GLN 1888Cb 0.48 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.95 2b0h h GLN 1888CO 0.02 0.20 0.44 1.25 -2.65 0.00 0.00 178.83 178.10 2b0h h LEU 1889N 0.05 0.73 -0.98 -2.39 6.46 -0.73 0.29 115.31 118.75 2b0h h LEU 1889Ca 0.04 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2b0h h LEU 1889Cb 0.10 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 39.83 2b0h h LEU 1889CO -0.00 0.50 0.62 0.74 -0.62 0.00 0.00 178.44 179.68 2b0h h THR 1890N 0.86 1.26 -0.07 1.05 2.02 -0.84 -0.72 112.91 116.46 2b0h h THR 1890Ca 0.28 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 2b0h h THR 1890Cb 0.01 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.27 2b0h h THR 1890CO -0.11 0.26 -0.16 -1.28 0.37 0.00 0.00 175.52 174.61 2b0h h SER 1891N 1.33 0.26 -0.82 4.18 0.87 0.09 -3.08 113.55 116.39 2b0h h SER 1891Ca 0.35 -0.57 0.02 0.00 -1.23 0.00 0.00 61.79 60.37 2b0h h SER 1891Cb -0.11 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 61.73 2b0h h SER 1891CO -0.07 0.79 0.53 0.44 -0.53 0.00 0.00 176.83 177.99 2b0h h ASP 1892N -0.25 0.90 -0.86 6.23 3.32 -0.24 -2.19 116.42 123.32 2b0h h ASP 1892Ca 0.00 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2b0h h ASP 1892Cb 0.74 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 2b0h h ASP 1892CO 0.03 0.63 0.45 0.22 -1.72 0.00 0.00 179.24 178.85 2b0h h TYR 1893N 1.06 1.21 -0.74 4.55 3.20 -1.19 -2.20 116.97 122.85 2b0h h TYR 1893Ca 0.32 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.19 2b0h h TYR 1893Cb -0.04 -0.38 -0.05 0.00 1.54 0.00 0.00 36.73 37.80 2b0h h TYR 1893CO -0.02 0.85 0.45 0.78 -1.64 0.00 0.00 178.16 178.58 2b0h h GLY 1894N 1.21 1.09 0.99 1.82 0.00 -1.31 0.33 103.07 107.21 2b0h h GLY 1894Ca 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2b0h h GLY 1894CO -0.04 0.25 0.31 -0.09 0.00 0.00 0.00 176.54 176.97 2b0h h ARG 1895N 0.86 0.74 0.58 4.80 2.43 -1.19 -2.79 114.38 119.81 2b0h h ARG 1895Ca 0.31 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 2b0h h ARG 1895Cb 0.10 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2b0h h ARG 1895CO -0.15 0.55 -0.28 1.25 -1.51 0.00 0.00 179.97 179.84 2b0h h LEU 1896N 0.73 -0.66 -2.64 3.80 5.85 -0.75 -3.18 115.31 118.46 2b0h h LEU 1896Ca 0.19 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 2b0h h LEU 1896Cb 0.01 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2b0h h LEU 1896CO -0.03 -0.34 -0.01 0.00 -0.34 0.00 0.00 178.44 177.72 2b0h h ALA 1897N -0.73 1.31 0.00 1.25 0.00 -0.97 -1.93 119.26 118.19 2b0h h ALA 1897Ca -0.08 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2b0h h ALA 1897Cb 0.66 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2b0h h ALA 1897CO 0.13 0.01 -0.52 0.77 0.00 0.00 0.00 179.25 179.64 2b0h h SER 1898N 0.00 0.00 0.90 0.00 0.02 -1.47 -2.93 113.55 110.07 2b0h h SER 1898Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2b0h h SER 1898Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2b0h h SER 1898CO 0.00 0.44 -0.23 0.00 -1.14 0.00 0.00 176.83 175.90 2b0h n GLN 1899N -3.18 0.07 0.15 3.45 1.13 -0.73 -3.51 117.38 114.76 2b0h n GLN 1899Ca 0.01 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 2b0h n GLN 1899Cb 0.72 -1.57 0.27 0.00 0.11 0.00 0.00 30.24 29.77 2b0h n GLN 1899CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2b0h h ALA 1900N 2.87 1.21 0.55 -1.58 0.00 -1.52 -1.88 119.26 118.91 2b0h h ALA 1900Ca 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2b0h h ALA 1900Cb 0.57 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2b0h h ALA 1900CO 0.00 0.57 -0.27 -0.22 0.00 0.00 0.00 179.25 179.34 2b0h h LYS 1901N 0.06 -0.71 -0.02 0.00 3.11 -1.71 -1.97 116.57 115.33 2b0h h LYS 1901Ca 0.00 0.05 -0.10 0.00 -2.81 0.00 0.00 60.65 57.79 2b0h h LYS 1901Cb 0.81 0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 32.19 2b0h h LYS 1901CO 0.06 -0.41 -0.44 -1.35 -2.81 0.00 0.00 179.45 174.50 2b0h h PRO 1902N -0.97 0.04 -0.38 1.90 0.11 -1.76 -3.06 132.00 127.89 2b0h h PRO 1902Ca -0.08 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 2b0h h PRO 1902Cb 0.64 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 2b0h h PRO 1902CO 0.12 0.48 -0.13 0.00 -0.21 0.00 0.00 178.00 178.27 2b0h h ALA 1903N 1.52 1.06 -0.08 -0.75 0.00 -1.32 -1.73 119.26 117.97 2b0h h ALA 1903Ca -0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 2b0h h ALA 1903Cb 0.80 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2b0h h ALA 1903CO 0.06 0.57 -0.49 0.00 0.00 0.00 0.00 179.25 179.39 2b0h h ALA 1904N 1.24 1.03 -0.01 0.00 0.00 -1.24 -2.65 119.26 117.64 2b0h h ALA 1904Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2b0h h ALA 1904Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2b0h h ALA 1904CO 0.04 0.64 -0.53 1.33 0.00 0.00 0.00 179.25 180.73 2b0h n VAL 1905N -3.96 0.00 0.95 0.00 0.24 -1.12 -3.87 118.33 110.57 2b0h n VAL 1905Ca -0.02 -0.10 0.10 0.00 -2.04 0.00 0.00 64.34 62.28 2b0h n VAL 1905Cb 0.53 0.69 -0.06 0.00 -1.47 0.00 0.00 33.84 33.53 2b0h n VAL 1905CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b0h n ALA 1906N -0.91 4.11 -2.05 2.33 0.00 -0.66 -4.95 120.51 118.38 2b0h n ALA 1906Ca 0.08 -0.60 -0.36 0.00 0.00 0.00 0.00 53.44 52.56 2b0h n ALA 1906Cb 0.37 -0.74 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 2b0h n ALA 1906CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b0h s ALA 1907N -2.66 3.37 -0.83 0.00 0.00 -1.02 -4.19 121.76 116.43 2b0h s ALA 1907Ca 0.12 0.21 0.26 0.00 0.00 0.00 0.00 51.96 52.55 2b0h s ALA 1907Cb 0.16 -2.87 0.62 0.00 0.00 0.00 0.00 23.12 21.03 2b0h s ALA 1907CO 0.70 0.30 1.52 -0.85 0.00 0.00 0.00 175.76 177.43 2b0h n GLU 1908N 0.60 0.14 -4.49 0.00 0.28 -1.26 -4.81 120.64 111.10 2b0h n GLU 1908Ca -0.01 0.06 -0.34 0.00 -0.16 0.00 0.00 57.16 56.71 2b0h n GLU 1908Cb 0.51 -1.61 -0.12 0.00 1.43 0.00 0.00 31.44 31.65 2b0h n GLU 1908CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2b0h s ASN 1909N -3.65 4.67 0.14 -1.84 3.84 -1.26 -5.02 114.94 111.82 2b0h s ASN 1909Ca 0.10 -0.13 -0.22 0.00 0.21 0.00 0.00 52.86 52.81 2b0h s ASN 1909Cb 0.16 -1.66 0.01 0.00 -0.55 0.00 0.00 41.25 39.21 2b0h s ASN 1909CO 0.66 0.20 1.65 -0.08 -2.79 0.00 0.00 177.10 176.75 2b0h h GLU 1910N 6.43 -0.19 -0.12 0.43 4.81 -1.95 -2.86 114.58 121.13 2b0h h GLU 1910Ca -0.33 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.84 2b0h h GLU 1910Cb 1.19 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2b0h h GLU 1910CO 0.60 -0.13 -0.25 0.93 -0.73 0.00 0.00 179.01 179.44 2b0h h GLU 1911N -0.20 0.21 0.23 1.92 5.08 -1.98 -1.81 114.58 118.03 2b0h h GLU 1911Ca 0.12 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2b0h h GLU 1911Cb 0.37 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2b0h h GLU 1911CO -0.30 0.45 -0.20 0.82 -1.00 0.00 0.00 179.01 178.77 2b0h h ILE 1912N 0.19 0.56 0.00 3.13 2.04 -1.80 0.41 117.51 122.04 2b0h h ILE 1912Ca 0.03 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.82 2b0h h ILE 1912Cb 0.55 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2b0h h ILE 1912CO 0.04 0.00 -0.32 1.23 0.00 0.00 0.00 178.15 179.10 2b0h h GLY 1913N -0.45 0.00 0.41 5.37 0.00 -1.48 -2.80 103.07 104.11 2b0h h GLY 1913Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 2b0h h GLY 1913CO -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.39 2b0h h ALA 1914N 1.68 0.03 -0.90 3.60 0.00 -0.80 -3.25 119.26 119.61 2b0h h ALA 1914Ca -0.00 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.53 2b0h h ALA 1914Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 2b0h h ALA 1914CO 0.04 -0.03 0.60 0.45 0.00 0.00 0.00 179.25 180.31 2b0h h HIS 1915N -0.55 1.12 0.02 0.00 -0.00 -0.11 -2.26 115.15 113.37 2b0h h HIS 1915Ca -0.01 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.42 2b0h h HIS 1915Cb 0.83 -0.38 -0.05 0.00 -0.00 0.00 0.00 27.41 27.81 2b0h h HIS 1915CO 0.17 0.68 -0.33 0.82 -0.00 0.00 0.00 177.93 179.26 2b0h h ILE 1916N 1.18 0.28 0.00 2.45 2.04 -1.57 -0.02 117.51 121.88 2b0h h ILE 1916Ca 0.34 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.17 2b0h h ILE 1916Cb -0.07 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 2b0h h ILE 1916CO -0.09 0.00 -0.17 0.11 0.00 0.00 0.00 178.15 178.00 2b0h h LYS 1917N -0.50 0.00 0.07 2.37 1.57 -1.50 -0.54 116.57 118.04 2b0h h LYS 1917Ca 0.05 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.59 2b0h h LYS 1917Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2b0h h LYS 1917CO -0.26 0.17 -1.10 0.45 -0.57 0.00 0.00 179.45 178.14 2b0h h HIS 1918N 0.00 0.51 0.07 -1.35 3.86 -0.84 -3.08 115.15 114.32 2b0h h HIS 1918Ca -0.00 -0.33 -0.25 0.00 -1.16 0.00 0.00 60.37 58.63 2b0h h HIS 1918Cb 0.49 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 2b0h h HIS 1918CO 0.00 1.20 -1.21 0.00 0.86 0.00 0.00 177.93 178.78 2b0h h ARG 1919N 0.13 0.15 0.00 2.45 2.47 -0.38 -3.07 114.38 116.13 2b0h h ARG 1919Ca -0.10 -0.26 -0.05 0.00 -1.26 0.00 0.00 59.98 58.31 2b0h h ARG 1919Cb 1.78 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 30.19 2b0h h ARG 1919CO 0.18 1.09 -0.22 -0.39 0.56 0.00 0.00 179.97 181.19 2b0h h VAL 1920N 0.04 0.60 -0.40 2.04 -1.51 -1.24 -2.37 116.25 113.41 2b0h h VAL 1920Ca -0.11 -1.06 -0.08 0.00 -1.23 0.00 0.00 66.70 64.22 2b0h h VAL 1920Cb 1.90 1.70 -0.02 0.00 -2.13 0.00 0.00 31.29 32.75 2b0h h VAL 1920CO 0.17 0.22 -0.10 -0.61 -1.23 0.00 0.00 177.57 176.01 2b0h h GLN 1921N 0.00 0.70 0.17 5.19 4.15 -1.44 0.01 115.11 123.88 2b0h h GLN 1921Ca -0.00 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.20 2b0h h GLN 1921Cb 0.69 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 2b0h h GLN 1921CO 0.03 0.78 -0.15 0.93 -1.93 0.00 0.00 178.83 178.49 2b0h h GLU 1922N 0.64 -0.33 0.00 1.69 5.08 -1.37 -2.21 114.58 118.08 2b0h h GLU 1922Ca 0.11 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2b0h h GLU 1922Cb 0.54 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2b0h h GLU 1922CO 0.03 -0.22 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.66 2b0h h LEU 1923N -0.34 0.00 0.30 1.33 3.38 -1.35 0.11 115.31 118.74 2b0h h LEU 1923Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2b0h h LEU 1923Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2b0h h LEU 1923CO -0.03 0.10 -0.15 1.23 0.09 0.00 0.00 178.44 179.68 2b0h h GLY 1924N 0.97 -0.43 1.96 0.83 0.00 -0.39 0.26 103.07 106.27 2b0h h GLY 1924Ca -0.00 0.16 -0.16 0.00 0.00 0.00 0.00 47.33 47.33 2b0h h GLY 1924CO 0.01 -0.15 -0.74 0.45 0.00 0.00 0.00 176.54 176.11 2b0h h HIS 1925N -0.56 0.05 -0.46 5.60 3.86 -1.17 -2.75 115.15 119.72 2b0h h HIS 1925Ca -0.04 -0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.04 2b0h h HIS 1925Cb 0.41 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 2b0h h HIS 1925CO -0.02 0.76 -0.11 0.78 0.86 0.00 0.00 177.93 180.21 2b0h h GLY 1926N 2.12 0.96 0.87 2.45 0.00 -0.74 -1.84 103.07 106.89 2b0h h GLY 1926Ca -0.01 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 2b0h h GLY 1926CO 0.10 0.72 -0.10 0.00 0.00 0.00 0.00 176.54 177.27 2b0h h SER 1928N -0.40 0.68 0.05 0.00 4.64 -1.51 0.11 113.55 117.12 2b0h h SER 1928Ca -0.03 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2b0h h SER 1928Cb 0.31 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2b0h h SER 1928CO 0.05 0.51 -0.03 0.00 -0.87 0.00 0.00 176.83 176.49 2b0h h ALA 1929N 1.61 -0.07 -0.16 5.18 0.00 -1.17 -2.93 119.26 121.71 2b0h h ALA 1929Ca 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2b0h h ALA 1929Cb -0.06 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2b0h h ALA 1929CO -0.04 -0.32 0.08 1.25 0.00 0.00 0.00 179.25 180.21 2b0h h LEU 1930N -0.51 0.22 -1.66 0.00 6.46 -0.29 -1.71 115.31 117.81 2b0h h LEU 1930Ca -0.01 -0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.58 2b0h h LEU 1930Cb 0.45 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 2b0h h LEU 1930CO 0.01 0.29 -0.20 -0.37 -0.62 0.00 0.00 178.44 177.55 2b0h h VAL 1931N 0.13 0.93 -0.17 1.05 -1.51 -0.91 0.37 116.25 116.14 2b0h h VAL 1931Ca 0.06 -0.72 -0.13 0.00 -1.23 0.00 0.00 66.70 64.67 2b0h h VAL 1931Cb 0.13 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 2b0h h VAL 1931CO -0.01 0.19 -0.40 0.74 -1.23 0.00 0.00 177.57 176.86 2b0h h THR 1932N 0.00 1.34 -0.30 7.19 2.02 -1.28 -1.56 112.91 120.32 2b0h h THR 1932Ca -0.00 -1.66 -0.14 0.00 0.77 0.00 0.00 66.41 65.38 2b0h h THR 1932Cb 0.40 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 2b0h h THR 1932CO 0.03 0.51 -0.37 0.11 0.37 0.00 0.00 175.52 176.16 2b0h h LYS 1933N 0.21 0.70 -0.26 6.66 1.79 -0.39 0.03 116.57 125.31 2b0h h LYS 1933Ca -0.00 -0.35 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 2b0h h LYS 1933Cb 1.01 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.65 2b0h h LYS 1933CO 0.09 0.96 0.12 0.00 -1.08 0.00 0.00 179.45 179.53 2b0h h ALA 1934N 1.00 0.33 -0.75 3.86 0.00 -0.33 0.62 119.26 123.99 2b0h h ALA 1934Ca 0.05 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2b0h h ALA 1934Cb 0.90 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2b0h h ALA 1934CO 0.08 -0.09 0.24 0.78 0.00 0.00 0.00 179.25 180.26 2b0h h GLY 1935N 0.28 1.25 1.34 0.00 0.00 -1.13 -0.68 103.07 104.13 2b0h h GLY 1935Ca 0.09 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.61 2b0h h GLY 1935CO -0.01 0.69 0.01 0.00 0.00 0.00 0.00 176.54 177.23 2b0h h ALA 1936N 1.13 1.10 -0.04 3.60 0.00 -0.80 -2.15 119.26 122.09 2b0h h ALA 1936Ca 0.24 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2b0h h ALA 1936Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2b0h h ALA 1936CO -0.01 0.57 -0.60 1.25 0.00 0.00 0.00 179.25 180.46 2b0h h LEU 1937N 0.75 0.16 -1.32 0.00 5.85 -0.52 0.70 115.31 120.93 2b0h h LEU 1937Ca 0.15 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2b0h h LEU 1937Cb 0.45 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2b0h h LEU 1937CO 0.02 0.72 -0.28 -0.61 -0.34 0.00 0.00 178.44 177.95 2b0h h GLN 1938N 0.10 0.00 0.23 1.25 4.15 -0.74 -1.28 115.11 118.82 2b0h h GLN 1938Ca -0.01 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.09 2b0h h GLN 1938Cb 1.09 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.81 2b0h h GLN 1938CO 0.09 0.28 -1.48 0.00 -1.93 0.00 0.00 178.83 175.79 2b0h s SER 1940N -7.47 3.26 0.15 0.00 0.01 0.19 -4.95 113.70 104.89 2b0h s SER 1940Ca -0.11 -2.80 0.26 0.00 1.31 0.00 0.00 55.95 54.61 2b0h s SER 1940Cb 0.04 -0.89 0.93 0.00 0.21 0.00 0.00 66.02 66.31 2b0h s SER 1940CO 0.91 -0.23 1.80 -2.65 0.41 0.00 0.00 173.24 173.48 2b0h n PRO 1941N 3.29 0.18 0.00 12.44 -0.02 -0.51 -3.00 135.00 147.38 2b0h n PRO 1941Ca 0.15 0.18 0.13 0.00 -2.02 0.00 0.00 63.50 61.94 2b0h n PRO 1941Cb 0.38 -1.72 0.45 0.00 -0.02 0.00 0.00 33.50 32.59 2b0h n PRO 1941CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2b0h n SER 1942N -2.03 0.88 -4.60 2.55 7.64 -1.26 -4.76 113.62 112.04 2b0h n SER 1942Ca 0.06 -0.82 -0.41 0.00 1.01 0.00 0.00 58.87 58.70 2b0h n SER 1942Cb 0.38 0.07 -0.07 0.00 -1.01 0.00 0.00 64.21 63.58 2b0h n SER 1942CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2b0h s ASP 1943N -2.47 6.47 0.20 6.43 2.15 -1.16 -4.94 116.67 123.35 2b0h s ASP 1943Ca 0.26 0.43 0.07 0.00 0.43 0.00 0.00 52.55 53.75 2b0h s ASP 1943Cb 0.20 -2.31 0.09 0.00 -0.30 0.00 0.00 42.92 40.59 2b0h s ASP 1943CO 0.50 -0.43 1.45 1.62 -0.17 0.00 0.00 175.17 178.14 2b0h h VAL 1944N 5.51 1.54 -0.03 1.11 3.04 -1.89 -3.18 116.25 122.35 2b0h h VAL 1944Ca -0.27 -2.64 0.00 0.00 -1.01 0.00 0.00 66.70 62.78 2b0h h VAL 1944Cb 1.12 2.43 -0.00 0.00 -2.01 0.00 0.00 31.29 32.83 2b0h h VAL 1944CO 0.78 0.76 0.02 1.88 -1.01 0.00 0.00 177.57 180.00 2b0h h TYR 1945N 0.03 0.04 -0.96 3.17 0.05 -1.96 0.35 116.97 117.69 2b0h h TYR 1945Ca -0.02 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.81 2b0h h TYR 1945Cb 1.40 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 39.06 2b0h h TYR 1945CO 0.01 0.06 0.62 1.15 -1.05 0.00 0.00 178.16 178.94 2b0h h THR 1946N 0.02 1.13 -0.31 -2.88 2.02 -1.91 0.82 112.91 111.79 2b0h h THR 1946Ca 0.01 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 2b0h h THR 1946Cb 0.02 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.28 2b0h h THR 1946CO -0.00 0.21 0.04 0.50 0.37 0.00 0.00 175.52 176.64 2b0h h LYS 1947N 1.17 0.53 -0.17 6.66 3.64 -1.34 -2.11 116.57 124.94 2b0h h LYS 1947Ca 0.39 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.64 2b0h h LYS 1947Cb 0.06 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2b0h h LYS 1947CO -0.14 0.63 0.06 0.87 -2.27 0.00 0.00 179.45 178.60 2b0h h LYS 1948N 0.34 0.14 -0.65 1.90 1.79 0.34 -2.28 116.57 118.15 2b0h h LYS 1948Ca 0.09 -0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.66 2b0h h LYS 1948Cb 0.37 -0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 30.91 2b0h h LYS 1948CO 0.01 0.09 0.26 0.93 -1.08 0.00 0.00 179.45 179.66 2b0h h GLU 1949N 0.14 0.43 -0.51 3.15 4.39 -0.75 0.79 114.58 122.23 2b0h h GLU 1949Ca 0.07 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.77 2b0h h GLU 1949Cb 0.04 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 2b0h h GLU 1949CO -0.07 0.28 0.31 1.25 -1.16 0.00 0.00 179.01 179.62 2b0h h LEU 1950N 0.44 0.50 -0.69 1.33 6.46 -1.01 0.36 115.31 122.71 2b0h h LEU 1950Ca 0.33 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 58.06 2b0h h LEU 1950Cb 0.41 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 2b0h h LEU 1950CO -0.32 0.36 0.31 0.40 -0.62 0.00 0.00 178.44 178.57 2b0h h ILE 1951N 0.62 1.23 0.00 4.05 5.03 -0.72 -0.26 117.51 127.46 2b0h h ILE 1951Ca 0.20 -0.68 -0.02 0.00 -0.12 0.00 0.00 64.86 64.24 2b0h h ILE 1951Cb 0.01 0.41 -0.00 0.00 -3.03 0.00 0.00 36.82 34.20 2b0h h ILE 1951CO -0.09 0.28 -0.10 -0.33 -0.68 0.00 0.00 178.15 177.24 2b0h h GLU 1952N 0.96 0.00 0.00 2.37 4.39 -0.17 -2.05 114.58 120.08 2b0h h GLU 1952Ca 0.23 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.82 2b0h h GLU 1952Cb 0.15 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2b0h h GLU 1952CO -0.03 0.10 -0.69 0.00 -1.16 0.00 0.00 179.01 177.23 2b0h h ALA 1954N -0.46 1.27 -0.22 0.00 0.00 -1.04 -1.66 119.26 117.16 2b0h h ALA 1954Ca -0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2b0h h ALA 1954Cb 1.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2b0h h ALA 1954CO -0.10 0.48 0.10 0.07 0.00 0.00 0.00 179.25 179.80 2b0h h ARG 1955N 0.37 0.29 -0.00 0.00 0.11 -1.55 -0.85 114.38 112.75 2b0h h ARG 1955Ca 0.07 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.12 2b0h h ARG 1955Cb 0.52 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.54 2b0h h ARG 1955CO 0.03 0.24 -0.01 0.00 0.10 0.00 0.00 179.97 180.33 2b0h h ARG 1956N 0.30 0.01 0.00 0.08 3.08 -1.44 -3.31 114.38 113.09 2b0h h ARG 1956Ca 0.08 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 2b0h h ARG 1956Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2b0h h ARG 1956CO -0.01 0.79 -0.23 -0.39 -1.07 0.00 0.00 179.97 179.07 2b0h h VAL 1957N -0.78 0.80 -0.22 2.04 -1.51 -1.14 -1.43 116.25 114.01 2b0h h VAL 1957Ca -0.00 -0.90 -0.00 0.00 -1.23 0.00 0.00 66.70 64.56 2b0h h VAL 1957Cb 0.80 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 31.49 2b0h h VAL 1957CO 0.00 0.22 0.13 -1.28 -1.23 0.00 0.00 177.57 175.41 2b0h h SER 1958N 0.00 0.26 0.74 4.19 0.87 -1.25 0.14 113.55 118.49 2b0h h SER 1958Ca -0.00 -0.01 -0.26 0.00 -1.23 0.00 0.00 61.79 60.29 2b0h h SER 1958Cb 0.53 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2b0h h SER 1958CO 0.03 0.21 -1.24 -0.33 -0.53 0.00 0.00 176.83 174.96 2b0h h GLU 1959N 0.30 0.13 -0.24 2.24 5.08 -1.40 -3.22 114.58 117.47 2b0h h GLU 1959Ca 0.08 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2b0h h GLU 1959Cb -0.00 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2b0h h GLU 1959CO -0.01 1.03 -0.09 0.87 -1.00 0.00 0.00 179.01 179.81 2b0h h LYS 1960N 0.03 0.39 -0.25 2.33 1.57 -0.52 0.23 116.57 120.36 2b0h h LYS 1960Ca -0.12 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 2b0h h LYS 1960Cb 1.90 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 34.15 2b0h h LYS 1960CO 0.15 0.49 -0.28 -0.39 -0.57 0.00 0.00 179.45 178.86 2b0h h VAL 1961N 0.37 1.27 0.00 0.50 -1.51 -0.89 -2.14 116.25 113.85 2b0h h VAL 1961Ca 0.07 -1.33 -0.08 0.00 -1.23 0.00 0.00 66.70 64.14 2b0h h VAL 1961Cb 0.40 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 2b0h h VAL 1961CO 0.02 0.42 -0.39 -1.28 -1.23 0.00 0.00 177.57 175.11 2b0h h SER 1962N 0.43 0.00 0.12 4.19 0.87 -1.09 -2.00 113.55 116.07 2b0h h SER 1962Ca 0.06 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.48 2b0h h SER 1962Cb 0.71 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2b0h h SER 1962CO 0.05 0.39 -0.47 0.45 -0.53 0.00 0.00 176.83 176.73 2b0h h HIS 1963N 0.00 0.51 -0.40 2.24 -0.00 -0.01 0.13 115.15 117.63 2b0h h HIS 1963Ca -0.00 -0.16 -0.09 0.00 -0.00 0.00 0.00 60.37 60.12 2b0h h HIS 1963Cb 0.78 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 28.08 2b0h h HIS 1963CO 0.00 0.81 -0.10 0.28 -0.00 0.00 0.00 177.93 178.92 2b0h h VAL 1964N 0.34 1.28 -0.53 2.45 2.07 -1.08 -0.07 116.25 120.70 2b0h h VAL 1964Ca 0.02 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.39 2b0h h VAL 1964Cb 0.96 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 2b0h h VAL 1964CO 0.08 0.40 0.27 -0.07 0.02 0.00 0.00 177.57 178.27 2b0h h LEU 1965N 0.58 0.39 -0.36 2.57 3.38 -0.95 -0.12 115.31 120.81 2b0h h LEU 1965Ca 0.10 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2b0h h LEU 1965Cb 0.62 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2b0h h LEU 1965CO 0.04 0.27 -0.26 0.00 0.09 0.00 0.00 178.44 178.58 2b0h h ALA 1966N 1.28 0.52 -0.71 1.53 0.00 -0.64 -1.09 119.26 120.14 2b0h h ALA 1966Ca 0.23 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2b0h h ALA 1966Cb 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2b0h h ALA 1966CO -0.16 0.52 0.44 0.00 0.00 0.00 0.00 179.25 180.05 2b0h h ALA 1967N 0.77 0.91 -0.08 0.00 0.00 -0.67 -1.56 119.26 118.62 2b0h h ALA 1967Ca 0.07 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2b0h h ALA 1967Cb 0.82 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2b0h h ALA 1967CO 0.07 0.37 -0.60 -0.07 0.00 0.00 0.00 179.25 179.02 2b0h h LEU 1968N 0.97 0.32 -1.54 0.00 3.38 -0.95 -2.90 115.31 114.59 2b0h h LEU 1968Ca 0.26 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2b0h h LEU 1968Cb -0.05 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2b0h h LEU 1968CO -0.05 0.85 0.00 0.00 0.09 0.00 0.00 178.44 179.33 2b0h n GLN 1969N -3.88 2.09 0.00 1.13 6.02 -0.42 -3.54 117.38 118.77 2b0h n GLN 1969Ca -0.03 -1.34 0.11 0.00 -0.01 0.00 0.00 57.00 55.73 2b0h n GLN 1969Cb 0.62 -1.43 0.52 0.00 1.02 0.00 0.00 30.24 30.97 2b0h n GLN 1969CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b0h n ALA 1970N 0.48 2.09 -0.31 -1.58 0.00 -0.62 -2.36 120.51 118.21 2b0h n ALA 1970Ca 0.12 -0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.52 2b0h n ALA 1970Cb 0.40 -1.36 0.29 0.00 0.00 0.00 0.00 19.45 18.78 2b0h n ALA 1970CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b0h n GLY 1971N 0.65 2.50 3.88 0.00 0.00 -1.23 -4.94 105.19 106.05 2b0h n GLY 1971Ca 0.09 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 2b0h n GLY 1971CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b0h s ASN 1972N -0.58 3.36 0.00 1.61 4.22 -0.99 -4.96 114.94 117.60 2b0h s ASN 1972Ca 0.39 0.49 0.00 0.00 -2.14 0.00 0.00 52.86 51.60 2b0h s ASN 1972Cb 0.29 -0.72 0.00 0.00 1.28 0.00 0.00 41.25 42.10 2b0h s ASN 1972CO 0.12 -2.60 0.00 -2.11 -2.04 0.00 0.00 177.10 170.47