#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b0h n ILE 1838N 0.00-11.39 -4.31 -0.61 -0.00 -1.26 -5.08 119.36 96.70 2b0h n ILE 1838Ca 0.00 1.94 -0.18 0.00 -0.00 0.00 0.00 62.75 64.51 2b0h n ILE 1838Cb 0.00 -6.55 -0.10 0.00 -0.00 0.00 0.00 39.64 32.99 2b0h n ILE 1838CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.55 178.06 2b0h s ASP 1839N -1.21 2.36 0.00 4.38 1.47 -1.26 -5.00 116.67 117.41 2b0h s ASP 1839Ca -0.08 -0.95 0.12 0.00 1.18 0.00 0.00 52.55 52.82 2b0h s ASP 1839Cb 0.01 -0.11 0.70 0.00 -0.34 0.00 0.00 42.92 43.18 2b0h s ASP 1839CO 0.72 -0.16 1.13 -2.65 0.68 0.00 0.00 175.17 174.88 2b0h n PRO 1840N -0.05 0.37 -0.13 2.11 -0.02 -1.25 -0.31 135.00 135.71 2b0h n PRO 1840Ca -0.11 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.13 2b0h n PRO 1840Cb 0.59 -1.49 -0.11 0.00 -0.02 0.00 0.00 33.50 32.47 2b0h n PRO 1840CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2b0h n PHE 1841N -0.99 0.00 -0.01 6.00 3.72 -1.26 -3.31 117.46 121.61 2b0h n PHE 1841Ca 0.09 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.33 2b0h n PHE 1841Cb 0.04 -1.00 -0.04 0.00 -0.94 0.00 0.00 39.48 37.54 2b0h n PHE 1841CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2b0h h THR 1842N -0.51 1.30 -2.38 4.37 1.35 -1.86 -3.40 112.91 111.78 2b0h h THR 1842Ca -0.64 -1.99 -0.47 0.00 -0.55 0.00 0.00 66.41 62.75 2b0h h THR 1842Cb 1.76 1.98 -0.36 0.00 -1.73 0.00 0.00 68.15 69.80 2b0h h THR 1842CO -0.26 0.63 -0.76 -0.32 -0.25 0.00 0.00 175.52 174.55 2b0h s MET 1843N -3.75 0.47 0.20 4.72 -2.45 0.57 -4.98 119.30 114.08 2b0h s MET 1843Ca -0.09 -0.86 0.05 0.00 -1.25 0.00 0.00 55.69 53.53 2b0h s MET 1843Cb 0.09 -1.01 -0.04 0.00 1.25 0.00 0.00 34.83 35.12 2b0h s MET 1843CO 0.89 -1.14 0.23 0.20 1.05 0.00 0.00 175.02 176.24 2b0h s GLY 1844N 1.57 1.55 0.27 2.11 0.00 -1.21 -3.96 107.32 107.64 2b0h s GLY 1844Ca 0.15 -1.22 0.02 0.00 0.00 0.00 0.00 44.72 43.66 2b0h s GLY 1844CO -0.13 -1.24 0.44 0.99 0.00 0.00 0.00 173.10 173.16 2b0h s ASP 1845N -3.47 6.33 0.09 1.64 1.01 -1.26 -4.99 116.67 116.02 2b0h s ASP 1845Ca 0.33 0.32 -0.32 0.00 0.71 0.00 0.00 52.55 53.59 2b0h s ASP 1845Cb -0.10 -1.97 -0.14 0.00 1.01 0.00 0.00 42.92 41.73 2b0h s ASP 1845CO 0.26 -0.14 1.61 -0.65 0.21 0.00 0.00 175.17 176.45 2b0h h PRO 1846N 1.28 -0.74 0.00 8.23 0.11 -2.00 -1.73 132.00 137.16 2b0h h PRO 1846Ca -0.50 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2b0h h PRO 1846Cb 1.21 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.49 2b0h h PRO 1846CO 0.63 -0.49 0.00 -0.85 -0.21 0.00 0.00 178.00 177.08 2b0h n GLU 1847N -5.47 0.33 0.11 1.05 -0.00 -1.26 -2.97 120.64 112.43 2b0h n GLU 1847Ca -0.10 0.08 0.12 0.00 -0.00 0.00 0.00 57.16 57.26 2b0h n GLU 1847Cb 0.37 -1.50 0.46 0.00 -0.00 0.00 0.00 31.44 30.78 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 0.45 -1.37 0.08 -1.84 0.00 -0.65 -1.91 105.19 99.95 2b0h n GLY 1848Ca 0.10 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 2b0h n GLY 1848CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2b0h n SER 1849N -2.19 0.48 0.29 1.61 2.88 -1.16 -4.15 113.62 111.38 2b0h n SER 1849Ca 0.03 0.21 0.17 0.00 -1.33 0.00 0.00 58.87 57.96 2b0h n SER 1849Cb 0.28 0.68 0.85 0.00 -0.75 0.00 0.00 64.21 65.27 2b0h n SER 1849CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2b0h h PHE 1850N 0.00 0.00 -0.53 0.66 3.57 -1.54 -2.71 116.94 116.40 2b0h h PHE 1850Ca -0.25 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.32 2b0h h PHE 1850Cb 1.70 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.41 2b0h h PHE 1850CO 0.00 0.05 0.35 -0.39 -2.23 0.00 0.00 178.31 176.09 2b0h h VAL 1851N 0.00 0.94 0.04 1.41 -1.51 -1.70 0.36 116.25 115.80 2b0h h VAL 1851Ca -0.00 -0.14 -0.10 0.00 -1.23 0.00 0.00 66.70 65.22 2b0h h VAL 1851Cb 0.31 0.50 0.01 0.00 -2.13 0.00 0.00 31.29 29.97 2b0h h VAL 1851CO 0.01 0.08 -0.44 -0.78 -1.23 0.00 0.00 177.57 175.21 2b0h h ASP 1852N 0.41 0.31 -0.47 4.19 3.58 -1.76 -2.27 116.42 120.41 2b0h h ASP 1852Ca 0.23 -0.87 -0.06 0.00 0.42 0.00 0.00 57.03 56.75 2b0h h ASP 1852Cb 0.39 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 2b0h h ASP 1852CO -0.06 1.15 0.09 1.88 -2.88 0.00 0.00 179.24 179.42 2b0h h TYR 1853N -0.50 0.87 0.89 0.28 0.05 -1.53 0.70 116.97 117.73 2b0h h TYR 1853Ca -0.07 -0.09 -0.04 0.00 0.05 0.00 0.00 58.73 58.58 2b0h h TYR 1853Cb 1.26 -0.25 0.01 0.00 1.01 0.00 0.00 36.73 38.76 2b0h h TYR 1853CO 0.20 0.75 -0.44 0.37 -1.05 0.00 0.00 178.16 177.99 2b0h h GLN 1854N 0.80 -1.17 -0.92 4.88 4.15 -0.37 -2.96 115.11 119.52 2b0h h GLN 1854Ca 0.17 0.08 0.02 0.00 0.77 0.00 0.00 58.65 59.69 2b0h h GLN 1854Cb 0.35 0.27 -0.05 0.00 0.21 0.00 0.00 27.48 28.26 2b0h h GLN 1854CO 0.01 -0.78 0.61 1.15 -1.93 0.00 0.00 178.83 177.88 2b0h h THR 1855N -1.21 1.21 -0.21 2.39 2.02 -1.19 -1.78 112.91 114.15 2b0h h THR 1855Ca -0.12 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 2b0h h THR 1855Cb 0.93 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2b0h h THR 1855CO 0.20 0.22 0.08 0.00 0.37 0.00 0.00 175.52 176.38 2b0h h THR 1856N 1.22 1.17 0.00 3.16 1.03 -0.89 -2.35 112.91 116.25 2b0h h THR 1856Ca 0.34 -0.53 -0.08 0.00 -0.01 0.00 0.00 66.41 66.14 2b0h h THR 1856Cb -0.10 1.14 -0.01 0.00 -1.07 0.00 0.00 68.15 68.11 2b0h h THR 1856CO -0.08 0.17 -0.54 0.00 -0.01 0.00 0.00 175.52 175.05 2b0h h MET 1857N 0.18 0.00 -0.10 0.00 -0.00 -1.34 -2.93 114.93 110.73 2b0h h MET 1857Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.65 2b0h h MET 1857Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.78 2b0h h MET 1857CO -0.00 0.29 -0.47 -0.39 -0.00 0.00 0.00 176.91 176.34 2b0h h VAL 1858N 0.00 1.33 -0.54 -0.10 -1.51 -1.25 0.61 116.25 114.79 2b0h h VAL 1858Ca -0.02 -1.66 -0.00 0.00 -1.23 0.00 0.00 66.70 63.78 2b0h h VAL 1858Cb 1.28 1.77 -0.03 0.00 -2.13 0.00 0.00 31.29 32.18 2b0h h VAL 1858CO 0.04 0.50 0.33 0.03 -1.23 0.00 0.00 177.57 177.24 2b0h h ARG 1859N 0.21 0.73 -0.58 5.19 2.47 -1.24 0.17 114.38 121.32 2b0h h ARG 1859Ca 0.01 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.59 2b0h h ARG 1859Cb 0.91 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 29.05 2b0h h ARG 1859CO 0.07 0.52 0.04 1.15 0.56 0.00 0.00 179.97 182.31 2b0h h THR 1860N 0.72 1.26 -0.78 2.04 2.02 -1.39 0.18 112.91 116.97 2b0h h THR 1860Ca 0.19 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 2b0h h THR 1860Cb -0.03 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 2b0h h THR 1860CO -0.04 0.39 0.45 0.00 0.37 0.00 0.00 175.52 176.69 2b0h h ALA 1861N 0.99 1.00 -0.29 6.16 0.00 -0.37 0.23 119.26 126.97 2b0h h ALA 1861Ca 0.17 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2b0h h ALA 1861Cb 0.50 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2b0h h ALA 1861CO 0.02 0.49 -0.28 0.87 0.00 0.00 0.00 179.25 180.35 2b0h h LYS 1862N 1.07 0.59 -0.53 0.00 1.57 -0.46 -0.05 116.57 118.76 2b0h h LYS 1862Ca 0.28 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2b0h h LYS 1862Cb -0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2b0h h LYS 1862CO -0.05 0.81 0.13 0.00 -0.57 0.00 0.00 179.45 179.77 2b0h h ALA 1863N 1.18 0.70 -0.38 3.86 0.00 -0.18 -1.22 119.26 123.22 2b0h h ALA 1863Ca 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2b0h h ALA 1863Cb 0.75 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2b0h h ALA 1863CO 0.06 0.40 0.21 0.82 0.00 0.00 0.00 179.25 180.73 2b0h h ILE 1864N 0.74 1.14 -0.67 0.00 2.04 -0.35 -1.16 117.51 119.26 2b0h h ILE 1864Ca 0.17 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.69 2b0h h ILE 1864Cb 0.34 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 2b0h h ILE 1864CO 0.00 0.15 0.44 0.00 0.00 0.00 0.00 178.15 178.74 2b0h h ALA 1865N 1.07 1.63 0.00 1.87 0.00 -0.62 0.29 119.26 123.50 2b0h h ALA 1865Ca 0.13 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 2b0h h ALA 1865Cb 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2b0h h ALA 1865CO -0.02 0.30 -1.01 -0.24 0.00 0.00 0.00 179.25 178.27 2b0h h VAL 1866N 0.79 1.48 -0.23 0.00 3.04 -1.06 -2.57 116.25 117.71 2b0h h VAL 1866Ca 0.27 -3.15 -0.03 0.00 -1.01 0.00 0.00 66.70 62.78 2b0h h VAL 1866Cb 0.08 2.73 -0.01 0.00 -2.01 0.00 0.00 31.29 32.07 2b0h h VAL 1866CO -0.07 0.84 0.04 0.74 -1.01 0.00 0.00 177.57 178.11 2b0h h THR 1867N 0.00 1.22 0.00 3.17 2.02 -0.12 0.18 112.91 119.39 2b0h h THR 1867Ca -0.04 -0.74 -0.06 0.00 0.77 0.00 0.00 66.41 66.34 2b0h h THR 1867Cb 1.74 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 2b0h h THR 1867CO 0.11 0.23 -0.28 -0.37 0.37 0.00 0.00 175.52 175.58 2b0h h VAL 1868N 0.18 1.07 0.00 3.16 -1.51 -1.06 0.48 116.25 118.58 2b0h h VAL 1868Ca 0.07 -1.02 -0.14 0.00 -1.23 0.00 0.00 66.70 64.37 2b0h h VAL 1868Cb 0.31 1.57 -0.02 0.00 -2.13 0.00 0.00 31.29 31.02 2b0h h VAL 1868CO 0.00 0.28 -0.69 -0.61 -1.23 0.00 0.00 177.57 175.33 2b0h h GLN 1869N 0.00 0.00 -0.06 5.19 5.75 -1.11 -2.64 115.11 122.25 2b0h h GLN 1869Ca -0.00 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.29 2b0h h GLN 1869Cb 0.55 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.10 2b0h h GLN 1869CO 0.04 0.69 -0.81 0.93 -2.65 0.00 0.00 178.83 177.02 2b0h h GLU 1870N 0.00 0.47 -0.58 1.69 5.08 0.32 -3.06 114.58 118.50 2b0h h GLU 1870Ca -0.01 -0.43 0.07 0.00 -1.00 0.00 0.00 59.36 58.00 2b0h h GLU 1870Cb 1.33 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.62 2b0h h GLU 1870CO 0.09 1.07 0.26 0.52 -1.00 0.00 0.00 179.01 179.94 2b0h h MET 1871N 0.30 0.46 0.00 2.33 2.86 -0.59 0.68 114.93 120.97 2b0h h MET 1871Ca -0.05 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.44 2b0h h MET 1871Cb 1.42 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.96 2b0h h MET 1871CO 0.14 0.30 -0.59 -0.39 1.06 0.00 0.00 176.91 177.44 2b0h h VAL 1872N 0.47 1.34 -0.00 -2.22 -1.51 -1.57 -2.23 116.25 110.52 2b0h h VAL 1872Ca 0.28 -2.08 -0.04 0.00 -1.23 0.00 0.00 66.70 63.63 2b0h h VAL 1872Cb 0.28 2.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 2b0h h VAL 1872CO -0.24 0.58 -0.15 0.74 -1.23 0.00 0.00 177.57 177.26 2b0h h THR 1873N 0.00 1.57 -0.72 7.19 2.02 -1.14 -3.33 112.91 118.50 2b0h h THR 1873Ca -0.01 -1.89 -0.03 0.00 0.77 0.00 0.00 66.41 65.25 2b0h h THR 1873Cb 1.10 2.79 -0.03 0.00 -1.74 0.00 0.00 68.15 70.27 2b0h h THR 1873CO 0.08 0.51 0.33 0.11 0.37 0.00 0.00 175.52 176.91 2b0h h LYS 1874N -0.60 1.05 0.00 6.66 1.79 0.29 -3.03 116.57 122.73 2b0h h LYS 1874Ca -0.02 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 2b0h h LYS 1874Cb 0.92 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 2b0h h LYS 1874CO 0.03 0.83 0.00 -1.13 -1.08 0.00 0.00 179.45 178.10 2b0h n SER 1875N -4.40 0.00 -0.03 0.86 3.41 -0.84 0.12 113.62 112.73 2b0h n SER 1875Ca 0.06 0.32 -0.13 0.00 -0.26 0.00 0.00 58.87 58.85 2b0h n SER 1875Cb 0.15 -0.33 -0.08 0.00 -0.26 0.00 0.00 64.21 63.68 2b0h n SER 1875CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2b0h h ASN 1876N 0.00 0.19 0.00 4.04 2.35 -1.70 -3.40 115.58 117.06 2b0h h ASN 1876Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 2b0h h ASN 1876Cb 0.02 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2b0h h ASN 1876CO 0.00 0.63 -0.16 0.35 -1.65 0.00 0.00 177.43 176.60 2b0h n THR 1877N -4.71 0.00 -3.73 2.81 -2.24 -0.39 -4.99 114.28 101.03 2b0h n THR 1877Ca -0.07 -0.30 -0.30 0.00 -2.27 0.00 0.00 64.05 61.11 2b0h n THR 1877Cb 0.30 0.87 -0.15 0.00 -2.10 0.00 0.00 70.33 69.25 2b0h n THR 1877CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2b0h s SER 1878N -0.91 4.01 0.00 3.42 0.01 0.32 -4.94 113.70 115.61 2b0h s SER 1878Ca 0.00 -1.70 0.24 0.00 1.31 0.00 0.00 55.95 55.79 2b0h s SER 1878Cb 0.00 -0.88 0.26 0.00 0.21 0.00 0.00 66.02 65.61 2b0h s SER 1878CO 0.00 -0.41 1.24 -0.81 0.41 0.00 0.00 173.24 173.68 2b0h n PRO 1879N 4.76 0.36 -0.04 12.44 -0.04 -1.26 -3.32 135.00 147.90 2b0h n PRO 1879Ca -0.01 -0.25 -0.09 0.00 -0.04 0.00 0.00 63.50 63.10 2b0h n PRO 1879Cb 0.42 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 2b0h n PRO 1879CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2b0h n GLU 1880N -1.10 0.65 0.26 0.54 0.00 -1.26 -3.59 120.64 116.13 2b0h n GLU 1880Ca 0.07 0.24 0.17 0.00 0.00 0.00 0.00 57.16 57.64 2b0h n GLU 1880Cb 0.36 -1.74 0.92 0.00 0.00 0.00 0.00 31.44 30.98 2b0h n GLU 1880CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2b0h h GLU 1881N 0.00 0.00 0.00 3.44 4.39 -1.96 -0.31 114.58 120.14 2b0h h GLU 1881Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2b0h h GLU 1881Cb 2.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.71 2b0h h GLU 1881CO 0.07 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.20 2b0h n LEU 1882N -2.71 0.33 0.34 1.33 4.77 -1.24 -3.05 117.00 116.78 2b0h n LEU 1882Ca -0.02 0.54 -0.14 0.00 -0.03 0.00 0.00 56.01 56.36 2b0h n LEU 1882Cb 0.07 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 40.65 2b0h n LEU 1882CO 0.16 -0.11 0.39 1.23 -1.33 0.00 0.00 177.39 177.73 2b0h h GLY 1883N 4.53 -0.94 1.40 -0.72 0.00 -1.23 -0.93 103.07 105.17 2b0h h GLY 1883Ca 0.00 0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.71 2b0h h GLY 1883CO 0.00 -0.34 0.35 -0.56 0.00 0.00 0.00 176.54 175.98 2b0h h PRO 1884N -1.15 0.60 -0.60 4.80 0.13 -1.74 -2.53 132.00 131.52 2b0h h PRO 1884Ca -0.09 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.93 2b0h h PRO 1884Cb 0.69 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 2b0h h PRO 1884CO 0.15 0.40 0.09 -0.07 -0.23 0.00 0.00 178.00 178.34 2b0h h LEU 1885N 0.62 0.96 -0.54 1.56 3.38 -1.53 0.41 115.31 120.18 2b0h h LEU 1885Ca 0.21 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2b0h h LEU 1885Cb 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2b0h h LEU 1885CO -0.05 0.98 0.08 0.00 0.09 0.00 0.00 178.44 179.54 2b0h h ALA 1886N 1.01 0.71 -0.65 1.53 0.00 -0.86 0.35 119.26 121.35 2b0h h ALA 1886Ca 0.18 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2b0h h ALA 1886Cb 0.44 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2b0h h ALA 1886CO 0.01 0.46 0.24 -0.97 0.00 0.00 0.00 179.25 178.99 2b0h h ASN 1887N 0.78 0.92 0.07 0.00 -1.24 -1.21 -1.39 115.58 113.51 2b0h h ASN 1887Ca 0.16 -0.19 0.01 0.00 0.71 0.00 0.00 56.30 57.00 2b0h h ASN 1887Cb 0.42 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 2b0h h ASN 1887CO 0.01 0.86 -0.12 -0.61 -1.29 0.00 0.00 177.43 176.28 2b0h h GLN 1888N 0.93 -0.23 -0.44 6.67 5.75 0.25 0.25 115.11 128.29 2b0h h GLN 1888Ca 0.21 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.74 2b0h h GLN 1888Cb 0.24 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 2b0h h GLN 1888CO -0.01 -0.15 0.28 1.25 -2.65 0.00 0.00 178.83 177.54 2b0h h LEU 1889N -0.24 0.47 -0.74 -2.39 6.46 -0.86 -1.47 115.31 116.55 2b0h h LEU 1889Ca 0.02 -0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.81 2b0h h LEU 1889Cb 0.25 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.02 2b0h h LEU 1889CO -0.06 0.34 0.46 0.74 -0.62 0.00 0.00 178.44 179.30 2b0h h THR 1890N 0.56 1.09 0.29 1.05 2.02 -0.82 -1.06 112.91 116.05 2b0h h THR 1890Ca 0.17 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 2b0h h THR 1890Cb -0.03 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 2b0h h THR 1890CO -0.06 0.16 -0.14 -1.28 0.37 0.00 0.00 175.52 174.58 2b0h h SER 1891N 0.90 -0.33 0.51 4.18 0.87 -0.05 -3.09 113.55 116.53 2b0h h SER 1891Ca 0.30 -0.18 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 2b0h h SER 1891Cb 0.03 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 2b0h h SER 1891CO -0.12 0.03 -0.50 0.44 -0.53 0.00 0.00 176.83 176.15 2b0h h ASP 1892N -0.73 0.00 -0.83 6.23 5.19 -1.23 -2.21 116.42 122.84 2b0h h ASP 1892Ca -0.04 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.44 2b0h h ASP 1892Cb 0.49 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.94 2b0h h ASP 1892CO 0.07 0.50 0.50 0.22 -3.12 0.00 0.00 179.24 177.41 2b0h h TYR 1893N 0.00 0.92 -0.76 4.55 3.20 -1.23 -0.25 116.97 123.40 2b0h h TYR 1893Ca -0.01 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 2b0h h TYR 1893Cb 0.89 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.83 2b0h h TYR 1893CO 0.00 0.44 0.50 0.78 -1.64 0.00 0.00 178.16 178.24 2b0h h GLY 1894N 0.89 1.07 0.67 1.82 0.00 -1.31 0.13 103.07 106.33 2b0h h GLY 1894Ca 0.38 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2b0h h GLY 1894CO -0.20 0.35 -0.12 -0.09 0.00 0.00 0.00 176.54 176.47 2b0h h ARG 1895N 0.97 0.26 -0.10 4.80 2.43 -1.26 -1.81 114.38 119.66 2b0h h ARG 1895Ca 0.30 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 2b0h h ARG 1895Cb -0.01 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 2b0h h ARG 1895CO -0.08 0.70 -0.06 1.25 -1.51 0.00 0.00 179.97 180.27 2b0h h LEU 1896N -0.16 -0.20 -1.94 3.80 5.85 -0.61 -0.41 115.31 121.64 2b0h h LEU 1896Ca 0.01 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2b0h h LEU 1896Cb 0.67 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2b0h h LEU 1896CO 0.03 -0.08 -0.10 0.00 -0.34 0.00 0.00 178.44 177.95 2b0h h ALA 1897N 1.03 1.23 0.23 1.25 0.00 -0.80 -2.71 119.26 119.48 2b0h h ALA 1897Ca 0.06 -0.09 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 2b0h h ALA 1897Cb 0.15 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 17.96 2b0h h ALA 1897CO -0.14 0.13 -1.35 1.03 0.00 0.00 0.00 179.25 178.91 2b0h h SER 1898N 0.00 0.80 0.57 0.00 0.87 -0.38 -3.14 113.55 112.27 2b0h h SER 1898Ca -0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 2b0h h SER 1898Cb 0.33 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2b0h h SER 1898CO 0.01 1.65 0.00 0.00 -0.53 0.00 0.00 176.83 177.97 2b0h n GLN 1899N -3.80 0.08 0.27 2.24 1.13 -0.26 -1.89 117.38 115.15 2b0h n GLN 1899Ca -0.16 0.16 0.16 0.00 -1.94 0.00 0.00 57.00 55.21 2b0h n GLN 1899Cb 1.05 -1.50 0.72 0.00 0.11 0.00 0.00 30.24 30.62 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 2.72 1.05 0.19 -1.58 0.00 -1.43 -2.35 119.26 117.87 2b0h h ALA 1900Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2b0h h ALA 1900Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2b0h h ALA 1900CO 0.00 0.08 -0.09 -0.22 0.00 0.00 0.00 179.25 179.02 2b0h h LYS 1901N 0.00 -0.24 0.00 0.00 1.63 -1.54 -2.95 116.57 113.46 2b0h h LYS 1901Ca -0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2b0h h LYS 1901Cb 0.46 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2b0h h LYS 1901CO 0.01 -0.06 0.00 -1.00 -3.45 0.00 0.00 179.45 174.95 2b0h h PRO 1902N -1.04 0.00 0.10 1.90 0.13 -1.72 -2.74 132.00 128.63 2b0h h PRO 1902Ca -0.03 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.84 2b0h h PRO 1902Cb 0.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.43 2b0h h PRO 1902CO 0.04 0.00 -1.18 0.00 -0.23 0.00 0.00 178.00 176.63 2b0h h ALA 1903N 2.09 0.16 -0.19 -0.56 0.00 -1.55 -3.04 119.26 116.17 2b0h h ALA 1903Ca 0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 54.91 53.91 2b0h h ALA 1903Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2b0h h ALA 1903CO 0.00 0.99 -0.46 0.00 0.00 0.00 0.00 179.25 179.77 2b0h h ALA 1904N 0.65 0.86 -0.01 0.00 0.00 -1.30 0.59 119.26 120.04 2b0h h ALA 1904Ca -0.11 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2b0h h ALA 1904Cb 1.90 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2b0h h ALA 1904CO 0.19 0.66 -0.01 1.33 0.00 0.00 0.00 179.25 181.42 2b0h n VAL 1905N -3.99 0.00 -0.06 0.00 0.24 -1.17 -3.55 118.33 109.80 2b0h n VAL 1905Ca -0.02 -0.17 -0.04 0.00 -2.04 0.00 0.00 64.34 62.07 2b0h n VAL 1905Cb 0.54 0.19 -0.11 0.00 -1.47 0.00 0.00 33.84 33.00 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 -0.22 1.81 -2.07 2.33 0.00 -0.83 -4.95 120.51 116.58 2b0h n ALA 1906Ca 0.20 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.41 2b0h n ALA 1906Cb 0.28 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.44 3.63 -0.04 0.00 0.00 0.14 -4.45 121.76 118.60 2b0h s ALA 1907Ca -0.06 0.92 0.26 0.00 0.00 0.00 0.00 51.96 53.08 2b0h s ALA 1907Cb 0.05 -3.71 0.85 0.00 0.00 0.00 0.00 23.12 20.32 2b0h s ALA 1907CO 0.56 -1.27 1.79 1.05 0.00 0.00 0.00 175.76 177.90 2b0h h GLU 1908N 9.02 0.00 -5.72 0.00 4.11 -1.89 -3.44 114.58 116.66 2b0h h GLU 1908Ca -0.38 0.00 -0.61 0.00 0.07 0.00 0.00 59.36 58.44 2b0h h GLU 1908Cb 1.17 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.35 2b0h h GLU 1908CO 0.95 0.12 -0.28 1.21 0.07 0.00 0.00 179.01 181.08 2b0h s ASN 1909N -6.05 6.59 0.11 3.06 3.84 -1.26 -5.00 114.94 116.23 2b0h s ASN 1909Ca 0.03 0.70 -0.26 0.00 0.21 0.00 0.00 52.86 53.53 2b0h s ASN 1909Cb 0.08 -2.20 -0.09 0.00 -0.55 0.00 0.00 41.25 38.49 2b0h s ASN 1909CO 0.62 0.21 1.65 -0.08 -2.79 0.00 0.00 177.10 176.71 2b0h h GLU 1910N 5.78 -0.40 -0.49 0.43 4.81 -1.98 -1.96 114.58 120.77 2b0h h GLU 1910Ca -0.47 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.75 2b0h h GLU 1910Cb 1.19 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 2b0h h GLU 1910CO 0.68 -0.27 0.13 0.93 -0.73 0.00 0.00 179.01 179.76 2b0h h GLU 1911N -0.42 0.78 0.02 1.92 5.08 -1.97 0.15 114.58 120.15 2b0h h GLU 1911Ca 0.03 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2b0h h GLU 1911Cb 0.44 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2b0h h GLU 1911CO -0.13 0.75 -0.20 0.82 -1.00 0.00 0.00 179.01 179.25 2b0h h ILE 1912N 0.67 0.52 -0.34 3.13 2.04 -1.82 0.25 117.51 121.96 2b0h h ILE 1912Ca 0.16 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.97 2b0h h ILE 1912Cb 0.31 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2b0h h ILE 1912CO -0.00 0.00 0.00 1.23 0.00 0.00 0.00 178.15 179.38 2b0h h GLY 1913N -0.34 0.57 0.57 5.37 0.00 -0.99 -2.58 103.07 105.67 2b0h h GLY 1913Ca 0.05 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 2b0h h GLY 1913CO -0.17 0.31 -0.18 0.00 0.00 0.00 0.00 176.54 176.50 2b0h h ALA 1914N 1.50 0.09 -0.37 3.60 0.00 -0.25 -3.23 119.26 120.60 2b0h h ALA 1914Ca 0.11 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.66 2b0h h ALA 1914Cb 0.32 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2b0h h ALA 1914CO 0.01 0.04 0.25 0.45 0.00 0.00 0.00 179.25 179.99 2b0h h HIS 1915N -0.32 0.40 -0.12 0.00 -0.00 -0.37 -2.12 115.15 112.61 2b0h h HIS 1915Ca -0.01 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.42 2b0h h HIS 1915Cb 0.81 -0.13 -0.06 0.00 -0.00 0.00 0.00 27.41 28.02 2b0h h HIS 1915CO 0.13 0.24 -0.35 0.82 -0.00 0.00 0.00 177.93 178.77 2b0h h ILE 1916N 0.42 0.24 -0.19 2.45 2.04 -1.47 0.29 117.51 121.29 2b0h h ILE 1916Ca 0.15 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.88 2b0h h ILE 1916Cb 0.07 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 2b0h h ILE 1916CO -0.03 0.00 -0.41 0.11 0.00 0.00 0.00 178.15 177.81 2b0h h LYS 1917N -0.43 0.44 -0.42 2.37 6.56 -1.52 -2.91 116.57 120.66 2b0h h LYS 1917Ca 0.09 -0.22 -0.05 0.00 -1.06 0.00 0.00 60.65 59.41 2b0h h LYS 1917Cb 0.58 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.22 2b0h h LYS 1917CO -0.36 0.78 0.08 0.45 -2.06 0.00 0.00 179.45 178.34 2b0h h HIS 1918N 0.37 0.73 -0.32 -1.35 3.86 -0.84 -0.28 115.15 117.31 2b0h h HIS 1918Ca 0.03 -0.10 -0.16 0.00 -1.16 0.00 0.00 60.37 58.98 2b0h h HIS 1918Cb 0.88 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 2b0h h HIS 1918CO 0.03 0.70 -0.45 0.00 0.86 0.00 0.00 177.93 179.07 2b0h h ARG 1919N 0.55 0.82 0.00 2.45 2.47 -0.91 -0.91 114.38 118.85 2b0h h ARG 1919Ca 0.13 -0.46 -0.07 0.00 -1.26 0.00 0.00 59.98 58.32 2b0h h ARG 1919Cb 0.35 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 2b0h h ARG 1919CO 0.01 1.10 -0.35 -0.39 0.56 0.00 0.00 179.97 180.89 2b0h h VAL 1920N 0.66 0.78 -0.09 2.04 -1.51 -1.48 0.80 116.25 117.44 2b0h h VAL 1920Ca 0.04 -1.52 -0.01 0.00 -1.23 0.00 0.00 66.70 63.98 2b0h h VAL 1920Cb 1.03 1.97 -0.00 0.00 -2.13 0.00 0.00 31.29 32.15 2b0h h VAL 1920CO 0.10 0.34 0.03 -0.61 -1.23 0.00 0.00 177.57 176.20 2b0h h GLN 1921N 0.00 0.15 -0.27 5.19 4.15 -0.61 -0.08 115.11 123.63 2b0h h GLN 1921Ca -0.00 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 2b0h h GLN 1921Cb 0.94 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.59 2b0h h GLN 1921CO 0.05 0.31 0.14 0.93 -1.93 0.00 0.00 178.83 178.33 2b0h h GLU 1922N -0.04 0.38 -0.76 1.69 5.08 -0.94 -2.89 114.58 117.10 2b0h h GLU 1922Ca 0.03 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2b0h h GLU 1922Cb 0.23 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 2b0h h GLU 1922CO -0.00 0.35 0.50 -0.07 -1.00 0.00 0.00 179.01 178.78 2b0h h LEU 1923N 0.31 0.72 -1.44 1.33 3.38 -0.74 -0.72 115.31 118.16 2b0h h LEU 1923Ca 0.09 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.20 2b0h h LEU 1923Cb 0.08 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 2b0h h LEU 1923CO -0.01 0.47 0.53 1.23 0.09 0.00 0.00 178.44 180.74 2b0h h GLY 1924N 0.82 0.94 0.46 0.83 0.00 -0.78 0.47 103.07 105.81 2b0h h GLY 1924Ca 0.32 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 2b0h h GLY 1924CO -0.11 0.09 -0.48 0.45 0.00 0.00 0.00 176.54 176.49 2b0h h HIS 1925N 0.57 0.35 -0.25 5.60 3.86 -1.20 -3.16 115.15 120.92 2b0h h HIS 1925Ca 0.39 -0.24 -0.06 0.00 -1.16 0.00 0.00 60.37 59.30 2b0h h HIS 1925Cb 0.72 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 2b0h h HIS 1925CO -0.00 1.16 -0.07 0.78 0.86 0.00 0.00 177.93 180.66 2b0h h GLY 1926N -0.56 0.53 1.07 2.45 0.00 -0.64 -1.43 103.07 104.49 2b0h h GLY 1926Ca -0.08 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 2b0h h GLY 1926CO 0.09 0.40 0.24 0.00 0.00 0.00 0.00 176.54 177.27 2b0h h SER 1928N 1.12 0.98 -0.42 0.00 0.87 -1.50 -0.64 113.55 113.96 2b0h h SER 1928Ca 0.24 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.56 2b0h h SER 1928Cb 0.31 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2b0h h SER 1928CO -0.01 0.96 0.12 0.00 -0.53 0.00 0.00 176.83 177.37 2b0h h ALA 1929N 1.16 0.55 0.40 6.23 0.00 -0.73 -2.32 119.26 124.54 2b0h h ALA 1929Ca 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2b0h h ALA 1929Cb 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2b0h h ALA 1929CO 0.01 0.20 -0.19 1.25 0.00 0.00 0.00 179.25 180.52 2b0h h LEU 1930N 0.53 -0.45 -1.99 0.00 6.46 -0.58 -2.19 115.31 117.10 2b0h h LEU 1930Ca 0.13 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 2b0h h LEU 1930Cb 0.28 0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.32 2b0h h LEU 1930CO -0.00 -0.28 -0.08 -0.37 -0.62 0.00 0.00 178.44 177.08 2b0h h VAL 1931N -0.58 0.83 -0.20 1.05 -1.51 -1.12 0.24 116.25 114.95 2b0h h VAL 1931Ca -0.05 -0.32 -0.05 0.00 -1.23 0.00 0.00 66.70 65.05 2b0h h VAL 1931Cb 0.44 1.18 -0.01 0.00 -2.13 0.00 0.00 31.29 30.78 2b0h h VAL 1931CO 0.09 0.08 -0.08 0.74 -1.23 0.00 0.00 177.57 177.17 2b0h h THR 1932N 0.00 1.30 -0.18 7.19 2.02 -1.17 -0.69 112.91 121.38 2b0h h THR 1932Ca -0.00 -1.11 -0.13 0.00 0.77 0.00 0.00 66.41 65.93 2b0h h THR 1932Cb 0.18 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2b0h h THR 1932CO 0.01 0.34 -0.45 0.11 0.37 0.00 0.00 175.52 175.90 2b0h h LYS 1933N 0.12 0.46 -0.62 6.66 1.79 -0.60 -0.73 116.57 123.64 2b0h h LYS 1933Ca 0.05 -0.25 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 2b0h h LYS 1933Cb 0.55 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.19 2b0h h LYS 1933CO 0.03 0.82 0.33 0.00 -1.08 0.00 0.00 179.45 179.55 2b0h h ALA 1934N 1.14 0.80 0.00 3.86 0.00 -0.52 -0.60 119.26 123.95 2b0h h ALA 1934Ca 0.02 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2b0h h ALA 1934Cb 0.94 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2b0h h ALA 1934CO 0.08 0.33 -0.43 0.78 0.00 0.00 0.00 179.25 180.01 2b0h h GLY 1935N 0.85 0.00 0.79 0.00 0.00 -0.80 -0.84 103.07 103.07 2b0h h GLY 1935Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.43 2b0h h GLY 1935CO -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 176.54 176.09 2b0h h ALA 1936N 1.57 0.17 0.00 3.60 0.00 -0.67 -2.67 119.26 121.26 2b0h h ALA 1936Ca -0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 2b0h h ALA 1936Cb 0.84 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2b0h h ALA 1936CO 0.06 0.30 -0.40 1.25 0.00 0.00 0.00 179.25 180.45 2b0h h LEU 1937N -0.00 0.00 -1.98 0.00 5.85 -1.08 0.22 115.31 118.32 2b0h h LEU 1937Ca -0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2b0h h LEU 1937Cb 1.07 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 2b0h h LEU 1937CO 0.09 0.40 -0.05 -0.61 -0.34 0.00 0.00 178.44 177.92 2b0h h GLN 1938N 0.00 0.00 0.07 1.25 4.15 -1.05 -2.25 115.11 117.28 2b0h h GLN 1938Ca -0.00 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.18 2b0h h GLN 1938Cb 0.74 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 2b0h h GLN 1938CO 0.05 0.05 -1.22 0.00 -1.93 0.00 0.00 178.83 175.78 2b0h s SER 1940N -6.89 4.08 0.22 0.00 0.01 -0.04 -4.94 113.70 106.14 2b0h s SER 1940Ca -0.22 -2.80 0.25 0.00 1.31 0.00 0.00 55.95 54.48 2b0h s SER 1940Cb 0.04 -1.40 0.91 0.00 0.21 0.00 0.00 66.02 65.78 2b0h s SER 1940CO 0.71 -0.26 1.74 -0.81 0.41 0.00 0.00 173.24 175.04 2b0h n PRO 1941N 3.36 0.21 0.04 12.44 -0.04 -0.88 -2.90 135.00 147.24 2b0h n PRO 1941Ca 0.06 0.31 0.13 0.00 -0.04 0.00 0.00 63.50 63.96 2b0h n PRO 1941Cb 0.34 -1.81 0.46 0.00 -0.04 0.00 0.00 33.50 32.45 2b0h n PRO 1941CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2b0h n SER 1942N -2.19 0.41 -4.59 3.54 2.88 -1.26 -4.72 113.62 107.69 2b0h n SER 1942Ca 0.04 0.42 -0.42 0.00 -1.33 0.00 0.00 58.87 57.58 2b0h n SER 1942Cb 0.32 -0.47 -0.06 0.00 -0.75 0.00 0.00 64.21 63.24 2b0h n SER 1942CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2b0h s ASP 1943N -3.67 6.51 0.14 -3.46 2.15 -1.14 -4.94 116.67 112.26 2b0h s ASP 1943Ca 0.12 0.39 -0.03 0.00 0.43 0.00 0.00 52.55 53.46 2b0h s ASP 1943Cb 0.16 -2.35 -0.07 0.00 -0.30 0.00 0.00 42.92 40.36 2b0h s ASP 1943CO 0.59 -0.56 1.33 1.62 -0.17 0.00 0.00 175.17 177.98 2b0h h VAL 1944N 5.61 1.42 -0.66 1.11 3.04 -1.89 -3.27 116.25 121.61 2b0h h VAL 1944Ca -0.26 -2.47 -0.07 0.00 -1.01 0.00 0.00 66.70 62.88 2b0h h VAL 1944Cb 1.11 2.41 -0.03 0.00 -2.01 0.00 0.00 31.29 32.78 2b0h h VAL 1944CO 0.84 0.73 0.12 1.88 -1.01 0.00 0.00 177.57 180.13 2b0h h TYR 1945N 0.20 1.15 -0.86 3.17 0.05 -1.98 0.30 116.97 119.01 2b0h h TYR 1945Ca -0.07 -0.15 0.07 0.00 0.05 0.00 0.00 58.73 58.63 2b0h h TYR 1945Cb 1.55 -0.32 -0.07 0.00 1.01 0.00 0.00 36.73 38.90 2b0h h TYR 1945CO 0.05 0.96 0.52 1.15 -1.05 0.00 0.00 178.16 179.80 2b0h h THR 1946N 1.01 1.00 -0.24 -2.88 2.02 -1.93 -0.54 112.91 111.34 2b0h h THR 1946Ca 0.20 -0.32 -0.18 0.00 0.77 0.00 0.00 66.41 66.89 2b0h h THR 1946Cb 0.42 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 2b0h h THR 1946CO 0.01 0.17 -0.53 0.50 0.37 0.00 0.00 175.52 176.03 2b0h h LYS 1947N 0.92 0.79 -0.52 6.66 3.64 -1.38 -3.01 116.57 123.67 2b0h h LYS 1947Ca 0.39 -0.53 0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2b0h h LYS 1947Cb 0.24 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.07 2b0h h LYS 1947CO -0.20 1.15 0.15 0.87 -2.27 0.00 0.00 179.45 179.15 2b0h h LYS 1948N 0.53 0.30 -0.46 1.90 1.79 0.18 -0.33 116.57 120.49 2b0h h LYS 1948Ca 0.00 -0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.54 2b0h h LYS 1948Cb 1.15 -0.07 -0.08 0.00 -1.58 0.00 0.00 32.23 31.65 2b0h h LYS 1948CO 0.12 0.20 -0.08 0.93 -1.08 0.00 0.00 179.45 179.53 2b0h h GLU 1949N 0.31 0.03 -0.43 3.15 4.39 -1.06 0.39 114.58 121.36 2b0h h GLU 1949Ca 0.26 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 2b0h h GLU 1949Cb 0.33 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2b0h h GLU 1949CO -0.30 0.02 0.24 1.25 -1.16 0.00 0.00 179.01 179.06 2b0h h LEU 1950N 0.03 0.53 -0.45 1.33 6.46 -1.15 -0.17 115.31 121.89 2b0h h LEU 1950Ca 0.22 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 2b0h h LEU 1950Cb 0.34 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 2b0h h LEU 1950CO -0.45 0.45 0.30 0.40 -0.62 0.00 0.00 178.44 178.52 2b0h h ILE 1951N 0.56 1.11 -0.22 4.05 5.03 -0.37 0.18 117.51 127.86 2b0h h ILE 1951Ca 0.15 -0.21 -0.06 0.00 -0.12 0.00 0.00 64.86 64.62 2b0h h ILE 1951Cb 0.03 0.45 -0.01 0.00 -3.03 0.00 0.00 36.82 34.26 2b0h h ILE 1951CO -0.03 0.11 -0.14 -0.33 -0.68 0.00 0.00 178.15 177.09 2b0h h GLU 1952N 0.61 0.36 -0.00 2.37 4.39 -0.67 -3.13 114.58 118.50 2b0h h GLU 1952Ca 0.16 -0.10 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 2b0h h GLU 1952Cb -0.07 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2b0h h GLU 1952CO -0.04 0.50 -0.38 0.00 -1.16 0.00 0.00 179.01 177.94 2b0h h ALA 1954N 0.29 0.67 -0.14 0.00 0.00 -0.63 -0.37 119.26 119.08 2b0h h ALA 1954Ca -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2b0h h ALA 1954Cb 1.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2b0h h ALA 1954CO 0.08 0.09 0.01 0.07 0.00 0.00 0.00 179.25 179.50 2b0h h ARG 1955N 0.70 0.20 0.08 0.00 0.11 -1.68 -0.84 114.38 112.96 2b0h h ARG 1955Ca 0.20 -0.02 -0.19 0.00 0.10 0.00 0.00 59.98 60.06 2b0h h ARG 1955Cb -0.06 -0.04 0.02 0.00 1.11 0.00 0.00 29.97 31.00 2b0h h ARG 1955CO -0.05 0.22 -0.80 0.00 0.10 0.00 0.00 179.97 179.43 2b0h h ARG 1956N 0.20 0.39 -0.01 0.08 3.08 -1.32 -3.08 114.38 113.73 2b0h h ARG 1956Ca 0.05 -0.54 -0.11 0.00 0.07 0.00 0.00 59.98 59.45 2b0h h ARG 1956Cb 0.13 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2b0h h ARG 1956CO 0.00 1.21 -0.51 -0.39 -1.07 0.00 0.00 179.97 179.21 2b0h h VAL 1957N -0.17 1.37 0.00 2.04 -1.51 -0.89 0.10 116.25 117.19 2b0h h VAL 1957Ca -0.12 -1.75 -0.02 0.00 -1.23 0.00 0.00 66.70 63.57 2b0h h VAL 1957Cb 1.56 1.93 -0.00 0.00 -2.13 0.00 0.00 31.29 32.65 2b0h h VAL 1957CO 0.15 0.50 -0.11 -1.28 -1.23 0.00 0.00 177.57 175.60 2b0h h SER 1958N 0.02 0.00 0.21 4.19 0.87 -1.20 0.40 113.55 118.04 2b0h h SER 1958Ca -0.00 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.25 2b0h h SER 1958Cb 0.91 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.90 2b0h h SER 1958CO 0.07 0.11 -1.39 -0.33 -0.53 0.00 0.00 176.83 174.76 2b0h h GLU 1959N 0.00 0.45 -0.32 2.24 4.39 -1.19 -3.06 114.58 117.10 2b0h h GLU 1959Ca -0.00 -0.78 -0.07 0.00 0.34 0.00 0.00 59.36 58.85 2b0h h GLU 1959Cb 0.32 0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 2b0h h GLU 1959CO 0.01 1.37 -0.10 -0.22 -1.16 0.00 0.00 179.01 178.91 2b0h h LYS 1960N 0.00 0.53 -0.16 2.33 3.64 -0.09 -0.36 116.57 122.46 2b0h h LYS 1960Ca -0.25 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 58.87 2b0h h LYS 1960Cb 2.03 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.78 2b0h h LYS 1960CO 0.22 0.64 -0.37 -0.39 -2.27 0.00 0.00 179.45 177.27 2b0h h VAL 1961N 0.50 1.30 0.00 2.00 -1.51 -0.37 -2.53 116.25 115.63 2b0h h VAL 1961Ca 0.09 -1.47 -0.03 0.00 -1.23 0.00 0.00 66.70 64.06 2b0h h VAL 1961Cb 0.48 1.58 -0.00 0.00 -2.13 0.00 0.00 31.29 31.22 2b0h h VAL 1961CO 0.03 0.45 -0.16 -1.28 -1.23 0.00 0.00 177.57 175.38 2b0h h SER 1962N 0.30 0.00 1.19 4.19 0.87 -1.02 -1.72 113.55 117.37 2b0h h SER 1962Ca 0.03 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.52 2b0h h SER 1962Cb 0.80 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 2b0h h SER 1962CO 0.06 0.16 -0.36 0.45 -0.53 0.00 0.00 176.83 176.61 2b0h h HIS 1963N 0.00 0.00 -0.22 2.24 -0.00 -0.70 0.25 115.15 116.71 2b0h h HIS 1963Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.27 2b0h h HIS 1963Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.91 2b0h h HIS 1963CO 0.00 0.36 -0.26 0.28 -0.00 0.00 0.00 177.93 178.31 2b0h h VAL 1964N 0.00 1.32 -0.29 2.45 2.07 -1.27 -0.75 116.25 119.78 2b0h h VAL 1964Ca -0.00 -1.44 0.03 0.00 0.82 0.00 0.00 66.70 66.11 2b0h h VAL 1964Cb 1.05 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 2b0h h VAL 1964CO 0.05 0.45 0.10 -0.07 0.02 0.00 0.00 177.57 178.12 2b0h h LEU 1965N 0.26 0.12 -0.22 2.57 3.38 -0.98 -1.77 115.31 118.68 2b0h h LEU 1965Ca 0.03 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2b0h h LEU 1965Cb 0.82 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2b0h h LEU 1965CO 0.06 0.10 -0.14 0.00 0.09 0.00 0.00 178.44 178.55 2b0h h ALA 1966N 1.18 0.31 -0.32 1.53 0.00 -0.54 -1.93 119.26 119.49 2b0h h ALA 1966Ca 0.13 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2b0h h ALA 1966Cb 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2b0h h ALA 1966CO -0.13 0.19 0.14 0.00 0.00 0.00 0.00 179.25 179.45 2b0h h ALA 1967N 0.69 0.38 -0.36 0.00 0.00 -1.03 -2.45 119.26 116.50 2b0h h ALA 1967Ca 0.04 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2b0h h ALA 1967Cb 0.66 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2b0h h ALA 1967CO 0.04 -0.25 0.11 -0.07 0.00 0.00 0.00 179.25 179.08 2b0h h LEU 1968N 0.30 0.52 -1.50 0.00 4.07 -1.33 -2.89 115.31 114.48 2b0h h LEU 1968Ca 0.14 -0.20 -0.00 0.00 0.08 0.00 0.00 57.88 57.89 2b0h h LEU 1968Cb 0.08 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 41.68 2b0h h LEU 1968CO -0.12 0.59 0.00 0.00 -1.08 0.00 0.00 178.44 177.83 2b0h n GLN 1969N -4.64 1.73 0.26 1.13 6.02 -0.73 -3.67 117.38 117.48 2b0h n GLN 1969Ca -0.01 -0.59 0.15 0.00 -0.01 0.00 0.00 57.00 56.54 2b0h n GLN 1969Cb 0.17 -1.64 0.65 0.00 1.02 0.00 0.00 30.24 30.45 2b0h n GLN 1969CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b0h h ALA 1970N 2.37 1.03 0.00 -1.58 0.00 -1.22 -1.63 119.26 118.22 2b0h h ALA 1970Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2b0h h ALA 1970Cb 0.79 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2b0h h ALA 1970CO 0.10 0.09 -0.23 0.78 0.00 0.00 0.00 179.25 179.98 2b0h h GLY 1971N 1.86 0.00 -4.87 0.00 0.00 -1.83 -3.49 103.07 94.75 2b0h h GLY 1971Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2b0h h GLY 1971CO 0.01 0.00 -0.27 -2.01 0.00 0.00 0.00 176.54 174.27 2b0h n ASN 1972N -3.26 -6.78 0.00 0.19 5.15 -0.62 -5.25 115.26 104.69 2b0h n ASN 1972Ca 0.01 0.28 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 2b0h n ASN 1972Cb 0.52 -4.54 0.00 0.00 -0.53 0.00 0.00 39.78 35.23 2b0h n ASN 1972CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55