#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b0h n ILE 1838N 0.00-12.52 -3.76 -0.61 5.41 -1.26 -5.00 119.36 101.62 2b0h n ILE 1838Ca 0.00 2.28 -0.37 0.00 1.00 0.00 0.00 62.75 65.66 2b0h n ILE 1838Cb 0.00 -6.81 -0.12 0.00 -0.71 0.00 0.00 39.64 32.01 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 -1.23 5.44 0.20 4.38 -4.77 -1.26 -4.99 116.67 114.44 2b0h s ASP 1839Ca -0.13 -0.11 -0.05 0.00 -3.30 0.00 0.00 52.55 48.97 2b0h s ASP 1839Cb 0.01 -1.98 0.13 0.00 -1.09 0.00 0.00 42.92 39.99 2b0h s ASP 1839CO 0.80 -0.00 1.55 -0.65 0.70 0.00 0.00 175.17 177.56 2b0h h PRO 1840N 8.02 0.69 -6.13 2.11 0.11 -2.04 -3.43 132.00 131.32 2b0h h PRO 1840Ca -0.37 -0.36 -0.69 0.00 0.11 0.00 0.00 66.00 64.69 2b0h h PRO 1840Cb 1.18 0.01 -0.30 0.00 0.11 0.00 0.00 31.00 31.99 2b0h h PRO 1840CO 0.59 0.97 -0.87 -0.59 -0.21 0.00 0.00 178.00 177.88 2b0h s PHE 1841N -4.28 2.45 -2.21 0.65 -0.71 -1.26 -5.01 117.98 107.60 2b0h s PHE 1841Ca -0.09 -0.62 0.19 0.00 -1.04 0.00 0.00 56.93 55.38 2b0h s PHE 1841Cb 0.12 -1.59 0.28 0.00 -1.21 0.00 0.00 43.02 40.62 2b0h s PHE 1841CO 0.84 -0.15 1.23 0.25 -1.34 0.00 0.00 175.22 176.05 2b0h n THR 1842N 2.82 0.31 -4.24 -4.49 -2.24 -1.26 -4.90 114.28 100.28 2b0h n THR 1842Ca -0.17 -0.66 -0.26 0.00 -2.27 0.00 0.00 64.05 60.69 2b0h n THR 1842Cb 0.52 1.13 -0.17 0.00 -2.10 0.00 0.00 70.33 69.71 2b0h n THR 1842CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2b0h s MET 1843N -1.44 1.66 0.00 -0.78 -1.94 -1.26 -5.11 119.30 110.42 2b0h s MET 1843Ca 0.29 -0.35 0.00 0.00 -1.71 0.00 0.00 55.69 53.92 2b0h s MET 1843Cb 0.18 -1.53 0.00 0.00 2.01 0.00 0.00 34.83 35.49 2b0h s MET 1843CO 0.26 -0.12 0.00 0.41 -0.01 0.00 0.00 175.02 175.56 2b0h n GLY 1844N 4.38 1.99 3.64 -0.03 0.00 -1.26 -5.16 105.19 108.75 2b0h n GLY 1844Ca -0.18 -1.79 -0.04 0.00 0.00 0.00 0.00 46.02 44.01 2b0h n GLY 1844CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2b0h s ASP 1845N -0.95 -0.40 -0.20 1.61 -4.77 -1.26 -4.99 116.67 105.70 2b0h s ASP 1845Ca 0.00 0.68 0.15 0.00 -3.30 0.00 0.00 52.55 50.09 2b0h s ASP 1845Cb 0.00 1.00 0.78 0.00 -1.09 0.00 0.00 42.92 43.61 2b0h s ASP 1845CO 0.00 -0.11 1.70 -0.81 0.70 0.00 0.00 175.17 176.65 2b0h n PRO 1846N 3.06 4.51 -2.19 2.11 -0.04 -1.26 -4.63 135.00 136.57 2b0h n PRO 1846Ca -0.16 -3.08 -0.20 0.00 -0.04 0.00 0.00 63.50 60.02 2b0h n PRO 1846Cb 0.57 -2.15 0.02 0.00 -0.04 0.00 0.00 33.50 31.90 2b0h n PRO 1846CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2b0h n GLU 1847N 0.66 3.27 -0.69 0.54 0.28 -1.26 -4.73 120.64 118.71 2b0h n GLU 1847Ca 0.27 -4.07 0.01 0.00 -0.16 0.00 0.00 57.16 53.22 2b0h n GLU 1847Cb 1.11 -2.16 0.25 0.00 1.43 0.00 0.00 31.44 32.08 2b0h n GLU 1847CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2b0h n GLY 1848N -0.67 4.18 0.09 -1.84 0.00 -1.26 -4.36 105.19 101.33 2b0h n GLY 1848Ca 0.37 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.60 0.87 0.29 1.61 2.88 -1.26 -4.32 113.62 113.09 2b0h n SER 1849Ca 0.30 -0.02 0.18 0.00 -1.33 0.00 0.00 58.87 57.99 2b0h n SER 1849Cb 1.06 0.73 0.83 0.00 -0.75 0.00 0.00 64.21 66.08 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 -0.78 0.66 3.57 -1.84 -3.23 116.94 115.32 2b0h h PHE 1850Ca -0.49 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.15 2b0h h PHE 1850Cb 2.05 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.74 2b0h h PHE 1850CO 0.00 0.03 0.51 -0.39 -2.23 0.00 0.00 178.31 176.24 2b0h h VAL 1851N 0.00 0.82 -0.03 1.41 -1.51 -1.82 0.88 116.25 116.00 2b0h h VAL 1851Ca -0.00 -0.17 -0.01 0.00 -1.23 0.00 0.00 66.70 65.29 2b0h h VAL 1851Cb 0.36 0.29 -0.00 0.00 -2.13 0.00 0.00 31.29 29.80 2b0h h VAL 1851CO 0.00 0.09 -0.02 -0.78 -1.23 0.00 0.00 177.57 175.63 2b0h h ASP 1852N 0.49 0.08 -0.62 4.19 3.58 -1.86 -0.17 116.42 122.10 2b0h h ASP 1852Ca 0.38 -0.45 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 2b0h h ASP 1852Cb 0.79 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.78 2b0h h ASP 1852CO -0.13 0.51 0.29 1.88 -2.88 0.00 0.00 179.24 178.90 2b0h h TYR 1853N -0.36 0.92 -0.03 0.28 0.05 -1.57 -1.97 116.97 114.29 2b0h h TYR 1853Ca 0.01 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.77 2b0h h TYR 1853Cb 0.48 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.90 2b0h h TYR 1853CO 0.08 0.68 -0.14 0.37 -1.05 0.00 0.00 178.16 178.11 2b0h h GLN 1854N 0.92 -0.21 -0.62 4.88 4.15 -0.72 -3.13 115.11 120.38 2b0h h GLN 1854Ca 0.22 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.72 2b0h h GLN 1854Cb 0.12 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.80 2b0h h GLN 1854CO -0.03 -0.14 0.31 1.15 -1.93 0.00 0.00 178.83 178.20 2b0h h THR 1855N -0.21 0.91 -0.04 2.39 2.02 -0.25 -1.14 112.91 116.59 2b0h h THR 1855Ca 0.06 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2b0h h THR 1855Cb 0.29 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2b0h h THR 1855CO -0.16 0.10 0.00 0.00 0.37 0.00 0.00 175.52 175.84 2b0h h THR 1856N 0.57 1.22 0.00 3.16 1.03 -1.48 -3.02 112.91 114.40 2b0h h THR 1856Ca 0.29 -0.68 0.00 0.00 -0.01 0.00 0.00 66.41 66.01 2b0h h THR 1856Cb 0.23 1.61 0.00 0.00 -1.07 0.00 0.00 68.15 68.92 2b0h h THR 1856CO -0.21 0.18 -0.23 0.00 -0.01 0.00 0.00 175.52 175.25 2b0h h MET 1857N -0.20 0.00 -0.46 0.00 -0.00 -1.46 -1.88 114.93 110.93 2b0h h MET 1857Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.59 2b0h h MET 1857Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.88 2b0h h MET 1857CO 0.00 0.00 -0.18 -0.39 -0.00 0.00 0.00 176.91 176.34 2b0h h VAL 1858N 0.00 1.27 -0.36 -0.10 -1.51 -1.23 -0.17 116.25 114.15 2b0h h VAL 1858Ca 0.00 -1.31 -0.06 0.00 -1.23 0.00 0.00 66.70 64.09 2b0h h VAL 1858Cb 0.93 1.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 2b0h h VAL 1858CO 0.00 0.45 -0.03 0.03 -1.23 0.00 0.00 177.57 176.79 2b0h h ARG 1859N 0.79 0.65 -0.54 5.19 2.47 -1.37 -2.80 114.38 118.78 2b0h h ARG 1859Ca 0.11 -0.22 -0.05 0.00 -1.26 0.00 0.00 59.98 58.56 2b0h h ARG 1859Cb 0.72 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 2b0h h ARG 1859CO 0.06 0.78 0.15 1.15 0.56 0.00 0.00 179.97 182.66 2b0h h THR 1860N 0.46 1.24 -0.88 2.04 2.02 -1.25 -1.67 112.91 114.86 2b0h h THR 1860Ca 0.10 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.47 2b0h h THR 1860Cb 0.51 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 2b0h h THR 1860CO 0.02 0.31 0.57 0.00 0.37 0.00 0.00 175.52 176.80 2b0h h ALA 1861N 1.02 1.16 -0.51 6.16 0.00 -0.98 0.49 119.26 126.60 2b0h h ALA 1861Ca 0.17 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2b0h h ALA 1861Cb 0.32 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2b0h h ALA 1861CO -0.00 0.43 -0.04 0.87 0.00 0.00 0.00 179.25 180.51 2b0h h LYS 1862N 1.12 0.89 -0.36 0.00 1.57 -1.22 -0.53 116.57 118.03 2b0h h LYS 1862Ca 0.35 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 2b0h h LYS 1862Cb -0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2b0h h LYS 1862CO -0.11 0.91 -0.21 0.00 -0.57 0.00 0.00 179.45 179.46 2b0h h ALA 1863N 1.13 0.95 -0.32 3.86 0.00 -0.35 -1.75 119.26 122.78 2b0h h ALA 1863Ca 0.15 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2b0h h ALA 1863Cb 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2b0h h ALA 1863CO 0.03 0.61 -0.09 0.82 0.00 0.00 0.00 179.25 180.62 2b0h h ILE 1864N 0.62 1.28 -0.58 0.00 2.04 -0.68 -2.22 117.51 117.97 2b0h h ILE 1864Ca 0.09 -1.14 0.05 0.00 1.00 0.00 0.00 64.86 64.86 2b0h h ILE 1864Cb 0.70 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 2b0h h ILE 1864CO 0.05 0.37 0.31 0.00 0.00 0.00 0.00 178.15 178.89 2b0h h ALA 1865N 0.80 0.75 -0.00 1.87 0.00 -0.77 0.20 119.26 122.11 2b0h h ALA 1865Ca 0.08 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2b0h h ALA 1865Cb 0.59 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2b0h h ALA 1865CO 0.03 -0.01 -0.60 -0.24 0.00 0.00 0.00 179.25 178.43 2b0h h VAL 1866N 0.60 1.43 -0.15 0.00 3.04 -1.34 -2.09 116.25 117.73 2b0h h VAL 1866Ca 0.25 -2.05 -0.06 0.00 -1.01 0.00 0.00 66.70 63.84 2b0h h VAL 1866Cb 0.14 2.10 -0.00 0.00 -2.01 0.00 0.00 31.29 31.52 2b0h h VAL 1866CO -0.16 0.59 -0.12 0.74 -1.01 0.00 0.00 177.57 177.61 2b0h h THR 1867N 0.01 1.33 -0.12 3.17 2.02 -0.60 0.59 112.91 119.31 2b0h h THR 1867Ca -0.01 -1.24 -0.08 0.00 0.77 0.00 0.00 66.41 65.85 2b0h h THR 1867Cb 1.06 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.28 2b0h h THR 1867CO 0.08 0.37 -0.29 -0.37 0.37 0.00 0.00 175.52 175.68 2b0h h VAL 1868N -0.00 1.25 0.00 3.16 -1.51 -0.62 -1.93 116.25 116.60 2b0h h VAL 1868Ca 0.03 -1.20 -0.16 0.00 -1.23 0.00 0.00 66.70 64.14 2b0h h VAL 1868Cb 0.63 1.48 -0.02 0.00 -2.13 0.00 0.00 31.29 31.25 2b0h h VAL 1868CO 0.03 0.36 -0.74 0.06 -1.23 0.00 0.00 177.57 176.05 2b0h h GLN 1869N 0.21 0.00 -0.68 5.19 3.07 -1.31 -2.87 115.11 118.72 2b0h h GLN 1869Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.75 2b0h h GLN 1869Cb 0.62 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.15 2b0h h GLN 1869CO 0.05 0.74 0.34 0.93 0.09 0.00 0.00 178.83 180.98 2b0h h GLU 1870N 0.00 0.95 -0.32 0.06 5.08 -0.30 -1.62 114.58 118.43 2b0h h GLU 1870Ca -0.01 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2b0h h GLU 1870Cb 1.50 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.52 2b0h h GLU 1870CO 0.10 0.72 0.02 0.52 -1.00 0.00 0.00 179.01 179.37 2b0h h MET 1871N 0.95 0.12 0.00 2.33 2.86 -1.14 0.58 114.93 120.63 2b0h h MET 1871Ca 0.24 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.77 2b0h h MET 1871Cb 0.07 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2b0h h MET 1871CO -0.03 0.08 -0.49 -0.39 1.06 0.00 0.00 176.91 177.13 2b0h h VAL 1872N 0.12 1.26 0.18 -2.22 -1.51 -1.44 -1.85 116.25 110.79 2b0h h VAL 1872Ca 0.15 -1.74 -0.30 0.00 -1.23 0.00 0.00 66.70 63.58 2b0h h VAL 1872Cb 0.19 1.96 0.02 0.00 -2.13 0.00 0.00 31.29 31.33 2b0h h VAL 1872CO -0.24 0.48 -1.36 0.74 -1.23 0.00 0.00 177.57 175.97 2b0h h THR 1873N 0.00 1.40 -0.09 7.19 2.02 -0.59 -3.33 112.91 119.51 2b0h h THR 1873Ca -0.00 -2.91 -0.23 0.00 0.77 0.00 0.00 66.41 64.04 2b0h h THR 1873Cb 0.92 2.98 0.01 0.00 -1.74 0.00 0.00 68.15 70.31 2b0h h THR 1873CO 0.06 0.86 -0.85 0.11 0.37 0.00 0.00 175.52 176.07 2b0h h LYS 1874N 0.10 0.66 0.00 6.66 1.79 0.24 -3.23 116.57 122.80 2b0h h LYS 1874Ca -0.19 -0.59 0.00 0.00 -2.18 0.00 0.00 60.65 57.69 2b0h h LYS 1874Cb 2.05 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.84 2b0h h LYS 1874CO 0.23 1.20 0.00 -1.13 -1.08 0.00 0.00 179.45 178.67 2b0h n SER 1875N -3.88 0.12 -0.20 0.86 3.41 -0.70 0.82 113.62 114.04 2b0h n SER 1875Ca -0.08 0.55 -0.07 0.00 -0.26 0.00 0.00 58.87 59.01 2b0h n SER 1875Cb 0.78 -0.57 0.03 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.72 0.00 4.04 -0.26 -1.69 -3.37 115.58 115.02 2b0h h ASN 1876Ca 0.00 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.63 2b0h h ASN 1876Cb 0.04 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.12 2b0h h ASN 1876CO 0.00 0.62 0.00 0.35 -1.06 0.00 0.00 177.43 177.34 2b0h n THR 1877N -4.58 0.00 -3.53 2.81 -2.24 -0.44 -5.02 114.28 101.28 2b0h n THR 1877Ca 0.03 -0.23 -0.24 0.00 -2.27 0.00 0.00 64.05 61.34 2b0h n THR 1877Cb 0.10 1.12 -0.14 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.36 2.42 0.08 3.42 0.01 0.24 -4.99 113.70 114.53 2b0h s SER 1878Ca 0.00 -0.77 0.18 0.00 1.31 0.00 0.00 55.95 56.67 2b0h s SER 1878Cb 0.00 -0.02 -0.12 0.00 0.21 0.00 0.00 66.02 66.09 2b0h s SER 1878CO 0.00 -0.38 0.84 -0.81 0.41 0.00 0.00 173.24 173.29 2b0h n PRO 1879N 5.28 0.62 0.12 12.44 -0.04 -1.26 -3.07 135.00 149.09 2b0h n PRO 1879Ca -0.06 0.17 -0.03 0.00 -0.04 0.00 0.00 63.50 63.55 2b0h n PRO 1879Cb 0.46 -1.79 0.13 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.05 0.00 0.54 4.39 -1.92 -2.81 114.58 114.83 2b0h h GLU 1880Ca -0.13 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.53 2b0h h GLU 1880Cb 1.44 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.10 2b0h h GLU 1880CO 0.03 0.69 0.00 0.93 -1.16 0.00 0.00 179.01 179.51 2b0h h GLU 1881N 0.04 0.00 0.00 2.33 4.39 -1.96 -1.83 114.58 117.55 2b0h h GLU 1881Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2b0h h GLU 1881Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2b0h h GLU 1881CO 0.09 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.22 2b0h n LEU 1882N -2.32 0.70 0.46 1.33 4.77 -1.06 -2.90 117.00 117.97 2b0h n LEU 1882Ca 0.00 0.57 -0.18 0.00 -0.03 0.00 0.00 56.01 56.38 2b0h n LEU 1882Cb 0.14 -0.37 -0.09 0.00 -2.33 0.00 0.00 43.42 40.78 2b0h n LEU 1882CO 0.16 -0.20 0.48 1.23 -1.33 0.00 0.00 177.39 177.73 2b0h h GLY 1883N 4.35 -1.23 0.93 -0.72 0.00 -1.50 -0.39 103.07 104.51 2b0h h GLY 1883Ca 0.00 0.45 0.03 0.00 0.00 0.00 0.00 47.33 47.82 2b0h h GLY 1883CO 0.00 -0.45 0.64 -2.55 0.00 0.00 0.00 176.54 174.19 2b0h h PRO 1884N -1.28 1.21 -0.46 4.80 0.11 -1.76 -2.53 132.00 132.09 2b0h h PRO 1884Ca -0.12 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.90 2b0h h PRO 1884Cb 0.90 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 2b0h h PRO 1884CO 0.20 0.80 0.22 -0.07 -0.21 0.00 0.00 178.00 178.94 2b0h h LEU 1885N 1.24 0.56 -0.47 2.35 3.38 -1.49 0.32 115.31 121.21 2b0h h LEU 1885Ca 0.38 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.26 2b0h h LEU 1885Cb -0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2b0h h LEU 1885CO -0.11 0.48 0.11 0.00 0.09 0.00 0.00 178.44 179.00 2b0h h ALA 1886N 1.61 0.61 -0.57 1.53 0.00 -0.63 0.97 119.26 122.78 2b0h h ALA 1886Ca 0.16 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2b0h h ALA 1886Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2b0h h ALA 1886CO -0.02 0.31 -0.05 -0.91 0.00 0.00 0.00 179.25 178.58 2b0h h ASN 1887N 0.63 1.03 -0.00 0.00 2.35 -1.15 -1.68 115.58 116.75 2b0h h ASN 1887Ca 0.15 -0.33 0.01 0.00 -0.55 0.00 0.00 56.30 55.58 2b0h h ASN 1887Cb 0.34 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2b0h h ASN 1887CO 0.00 1.11 -0.06 -0.61 -1.65 0.00 0.00 177.43 176.22 2b0h h GLN 1888N 0.93 -0.11 -0.07 0.81 5.75 -0.13 0.24 115.11 122.52 2b0h h GLN 1888Ca 0.16 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.70 2b0h h GLN 1888Cb 0.61 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.15 2b0h h GLN 1888CO 0.04 -0.07 -0.17 1.25 -2.65 0.00 0.00 178.83 177.23 2b0h h LEU 1889N -0.11 -0.51 -0.85 -2.39 6.46 -0.72 -1.28 115.31 115.92 2b0h h LEU 1889Ca 0.03 0.08 0.10 0.00 -0.12 0.00 0.00 57.88 57.97 2b0h h LEU 1889Cb 0.15 0.23 -0.07 0.00 -0.73 0.00 0.00 40.66 40.23 2b0h h LEU 1889CO -0.07 -0.22 0.49 0.74 -0.62 0.00 0.00 178.44 178.76 2b0h h THR 1890N -0.24 0.91 -0.09 1.05 2.02 -0.95 0.15 112.91 115.76 2b0h h THR 1890Ca 0.08 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 2b0h h THR 1890Cb 0.35 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 2b0h h THR 1890CO -0.21 0.15 0.01 0.28 0.37 0.00 0.00 175.52 176.12 2b0h h SER 1891N 0.82 0.14 0.14 4.18 0.02 0.06 -1.44 113.55 117.47 2b0h h SER 1891Ca 0.41 -0.27 -0.16 0.00 -0.84 0.00 0.00 61.79 60.93 2b0h h SER 1891Cb 0.38 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2b0h h SER 1891CO -0.25 0.38 -0.58 0.44 -1.14 0.00 0.00 176.83 175.69 2b0h h ASP 1892N -0.10 0.50 -0.67 3.07 5.19 -0.89 -2.55 116.42 120.96 2b0h h ASP 1892Ca 0.03 -0.28 0.02 0.00 -0.62 0.00 0.00 57.03 56.18 2b0h h ASP 1892Cb 0.30 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 39.63 2b0h h ASP 1892CO 0.00 0.97 0.42 0.22 -3.12 0.00 0.00 179.24 177.73 2b0h h TYR 1893N 0.34 0.80 -0.48 4.55 3.20 -0.67 0.67 116.97 125.37 2b0h h TYR 1893Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2b0h h TYR 1893Cb 1.11 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 2b0h h TYR 1893CO 0.04 0.46 0.32 0.78 -1.64 0.00 0.00 178.16 178.12 2b0h h GLY 1894N 0.84 0.57 0.67 1.82 0.00 -0.93 0.24 103.07 106.28 2b0h h GLY 1894Ca 0.26 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 2b0h h GLY 1894CO -0.10 0.16 -0.34 -0.09 0.00 0.00 0.00 176.54 176.18 2b0h h ARG 1895N 0.49 0.33 -0.03 4.80 2.43 -0.93 -2.30 114.38 119.18 2b0h h ARG 1895Ca 0.20 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2b0h h ARG 1895Cb 0.17 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2b0h h ARG 1895CO -0.05 0.93 0.02 1.25 -1.51 0.00 0.00 179.97 180.61 2b0h h LEU 1896N -0.19 0.03 -1.98 3.80 5.85 -0.31 -1.75 115.31 120.76 2b0h h LEU 1896Ca -0.03 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2b0h h LEU 1896Cb 1.01 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 2b0h h LEU 1896CO 0.07 0.06 -0.08 0.00 -0.34 0.00 0.00 178.44 178.15 2b0h h ALA 1897N 0.98 1.17 0.14 1.25 0.00 -0.63 -2.48 119.26 119.69 2b0h h ALA 1897Ca 0.01 -0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 2b0h h ALA 1897Cb 0.03 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2b0h h ALA 1897CO -0.00 0.10 -1.25 1.03 0.00 0.00 0.00 179.25 179.13 2b0h h SER 1898N 0.00 0.54 1.13 0.00 0.87 -0.80 -3.11 113.55 112.18 2b0h h SER 1898Ca -0.00 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 2b0h h SER 1898Cb 0.33 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2b0h h SER 1898CO 0.01 1.42 0.00 0.00 -0.53 0.00 0.00 176.83 177.73 2b0h n GLN 1899N -3.61 0.19 0.26 2.24 1.13 -0.72 -2.69 117.38 114.19 2b0h n GLN 1899Ca -0.10 0.25 0.14 0.00 -1.94 0.00 0.00 57.00 55.35 2b0h n GLN 1899Cb 1.02 -1.77 0.67 0.00 0.11 0.00 0.00 30.24 30.27 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 2.51 1.10 0.19 -1.58 0.00 -1.39 -2.37 119.26 117.71 2b0h h ALA 1900Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2b0h h ALA 1900Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2b0h h ALA 1900CO 0.00 0.14 -0.09 -0.22 0.00 0.00 0.00 179.25 179.08 2b0h h LYS 1901N 0.00 -0.24 0.00 0.00 3.11 -1.64 -2.80 116.57 115.00 2b0h h LYS 1901Ca -0.00 0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.78 2b0h h LYS 1901Cb 0.48 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.76 2b0h h LYS 1901CO 0.01 0.03 -0.37 -1.35 -2.81 0.00 0.00 179.45 174.97 2b0h h PRO 1902N -1.00 0.00 -0.18 1.90 0.11 -1.72 -2.24 132.00 128.87 2b0h h PRO 1902Ca -0.03 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 2b0h h PRO 1902Cb 0.39 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 2b0h h PRO 1902CO 0.04 0.37 -0.40 0.00 -0.21 0.00 0.00 178.00 177.80 2b0h h ALA 1903N 1.63 0.99 0.11 -0.75 0.00 -1.54 -2.21 119.26 117.49 2b0h h ALA 1903Ca -0.00 -0.42 -0.28 0.00 0.00 0.00 0.00 54.91 54.20 2b0h h ALA 1903Cb 0.68 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.38 2b0h h ALA 1903CO 0.05 0.62 -1.21 0.00 0.00 0.00 0.00 179.25 178.70 2b0h h ALA 1904N 1.24 0.07 0.00 0.00 0.00 -1.18 -2.08 119.26 117.31 2b0h h ALA 1904Ca 0.03 -0.79 -0.10 0.00 0.00 0.00 0.00 54.91 54.05 2b0h h ALA 1904Cb 0.85 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2b0h h ALA 1904CO 0.07 0.78 -0.47 -0.39 0.00 0.00 0.00 179.25 179.24 2b0h h VAL 1905N 0.21 0.99 -0.02 0.00 -1.51 -1.39 -2.87 116.25 111.67 2b0h h VAL 1905Ca -0.16 -1.85 0.00 0.00 -1.23 0.00 0.00 66.70 63.45 2b0h h VAL 1905Cb 1.89 2.11 0.00 0.00 -2.13 0.00 0.00 31.29 33.16 2b0h h VAL 1905CO 0.22 0.46 -0.31 0.00 -1.23 0.00 0.00 177.57 176.71 2b0h n ALA 1906N -2.30 3.19 -1.68 5.19 0.00 -0.83 -4.96 120.51 119.13 2b0h n ALA 1906Ca 0.00 -0.58 -0.45 0.00 0.00 0.00 0.00 53.44 52.41 2b0h n ALA 1906Cb 0.59 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 19.10 2b0h n ALA 1906CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b0h n ALA 1907N 0.08 1.41 0.30 0.00 0.00 -0.78 -4.71 120.51 116.80 2b0h n ALA 1907Ca 0.11 0.28 0.18 0.00 0.00 0.00 0.00 53.44 54.01 2b0h n ALA 1907Cb 0.45 -2.56 0.81 0.00 0.00 0.00 0.00 19.45 18.15 2b0h n ALA 1907CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2b0h h GLU 1908N 9.22 0.00 -5.63 0.00 3.07 -1.90 -3.45 114.58 115.90 2b0h h GLU 1908Ca -0.48 0.00 -0.46 0.00 -0.50 0.00 0.00 59.36 57.92 2b0h h GLU 1908Cb 1.25 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.98 2b0h h GLU 1908CO 0.94 0.00 -0.77 1.21 -1.40 0.00 0.00 179.01 178.99 2b0h s ASN 1909N -5.19 2.25 0.12 1.42 3.84 -1.26 -5.05 114.94 111.07 2b0h s ASN 1909Ca -0.01 -0.82 -0.22 0.00 0.21 0.00 0.00 52.86 52.02 2b0h s ASN 1909Cb 0.10 -0.10 -0.06 0.00 -0.55 0.00 0.00 41.25 40.64 2b0h s ASN 1909CO 0.45 -0.10 1.69 -0.08 -2.79 0.00 0.00 177.10 176.27 2b0h h GLU 1910N 3.45 -0.14 0.01 0.43 4.57 -1.98 -3.15 114.58 117.77 2b0h h GLU 1910Ca -0.41 0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 57.58 2b0h h GLU 1910Cb 1.20 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 2b0h h GLU 1910CO 0.50 -0.09 -0.90 0.93 -1.18 0.00 0.00 179.01 178.26 2b0h h GLU 1911N -0.15 0.10 -0.14 1.92 5.08 -1.96 -2.79 114.58 116.64 2b0h h GLU 1911Ca 0.06 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2b0h h GLU 1911Cb 0.23 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 2b0h h GLU 1911CO -0.16 0.93 -0.25 0.82 -1.00 0.00 0.00 179.01 179.36 2b0h h ILE 1912N 0.05 0.40 0.00 3.13 2.04 -1.88 0.41 117.51 121.66 2b0h h ILE 1912Ca -0.03 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.70 2b0h h ILE 1912Cb 1.57 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2b0h h ILE 1912CO 0.13 0.00 -0.62 1.23 0.00 0.00 0.00 178.15 178.89 2b0h h GLY 1913N -0.31 0.00 0.55 5.37 0.00 -1.61 -3.10 103.07 103.96 2b0h h GLY 1913Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 2b0h h GLY 1913CO -0.32 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.20 2b0h h ALA 1914N 1.38 -0.07 -0.69 3.60 0.00 -1.06 -2.95 119.26 119.48 2b0h h ALA 1914Ca -0.01 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2b0h h ALA 1914Cb 1.15 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 2b0h h ALA 1914CO 0.08 -0.31 0.39 0.45 0.00 0.00 0.00 179.25 179.86 2b0h h HIS 1915N -0.52 0.71 0.42 0.00 3.86 -0.26 0.82 115.15 120.19 2b0h h HIS 1915Ca -0.01 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2b0h h HIS 1915Cb 0.46 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 2b0h h HIS 1915CO 0.08 0.34 -0.43 0.82 0.86 0.00 0.00 177.93 179.59 2b0h h ILE 1916N 0.71 0.13 0.00 2.45 2.04 -1.56 0.18 117.51 121.46 2b0h h ILE 1916Ca 0.31 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.14 2b0h h ILE 1916Cb 0.19 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2b0h h ILE 1916CO -0.18 0.00 -0.14 0.11 0.00 0.00 0.00 178.15 177.93 2b0h h LYS 1917N -0.87 0.00 -0.15 2.37 1.57 -1.30 -1.23 116.57 116.95 2b0h h LYS 1917Ca -0.04 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.51 2b0h h LYS 1917Cb 0.78 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.10 2b0h h LYS 1917CO -0.07 0.14 -0.79 0.45 -0.57 0.00 0.00 179.45 178.62 2b0h h HIS 1918N 0.00 1.07 0.16 -1.35 3.86 -0.24 -3.01 115.15 115.63 2b0h h HIS 1918Ca -0.00 -0.48 -0.30 0.00 -1.16 0.00 0.00 60.37 58.43 2b0h h HIS 1918Cb 0.42 -0.16 0.01 0.00 1.06 0.00 0.00 27.41 28.73 2b0h h HIS 1918CO 0.00 1.31 -1.39 0.00 0.86 0.00 0.00 177.93 178.71 2b0h h ARG 1919N 0.54 0.33 0.00 2.45 2.47 -0.02 -3.03 114.38 117.12 2b0h h ARG 1919Ca -0.05 -0.57 -0.04 0.00 -1.26 0.00 0.00 59.98 58.06 2b0h h ARG 1919Cb 1.42 0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 29.94 2b0h h ARG 1919CO 0.16 1.25 -0.17 -0.39 0.56 0.00 0.00 179.97 181.38 2b0h h VAL 1920N 0.09 0.51 -0.27 2.04 -1.51 -1.38 -2.25 116.25 113.47 2b0h h VAL 1920Ca -0.20 -0.85 -0.10 0.00 -1.23 0.00 0.00 66.70 64.32 2b0h h VAL 1920Cb 2.03 1.59 -0.01 0.00 -2.13 0.00 0.00 31.29 32.77 2b0h h VAL 1920CO 0.21 0.17 -0.27 -0.61 -1.23 0.00 0.00 177.57 175.84 2b0h h GLN 1921N 0.00 0.54 -0.12 5.19 -0.00 -1.43 -1.17 115.11 118.12 2b0h h GLN 1921Ca -0.00 -0.21 -0.00 0.00 -0.00 0.00 0.00 58.65 58.43 2b0h h GLN 1921Cb 0.57 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.02 2b0h h GLN 1921CO 0.02 0.76 0.06 0.93 0.00 0.00 0.00 178.83 180.60 2b0h h GLU 1922N 0.47 0.18 0.00 1.69 5.08 -1.30 -3.05 114.58 117.65 2b0h h GLU 1922Ca 0.06 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2b0h h GLU 1922Cb 0.71 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2b0h h GLU 1922CO 0.05 0.23 -0.24 1.25 -1.00 0.00 0.00 179.01 179.31 2b0h h LEU 1923N 0.08 0.00 -0.14 1.33 5.85 -1.21 -2.87 115.31 118.35 2b0h h LEU 1923Ca 0.04 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2b0h h LEU 1923Cb 0.11 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 2b0h h LEU 1923CO -0.01 0.24 -0.13 1.23 -0.34 0.00 0.00 178.44 179.43 2b0h h GLY 1924N 0.83 -0.04 1.58 3.75 0.00 -1.10 0.28 103.07 108.37 2b0h h GLY 1924Ca -0.00 0.16 -0.14 0.00 0.00 0.00 0.00 47.33 47.35 2b0h h GLY 1924CO 0.03 -0.14 -0.51 0.45 0.00 0.00 0.00 176.54 176.37 2b0h h HIS 1925N -0.16 0.56 -0.54 5.60 3.86 -1.62 -2.78 115.15 120.06 2b0h h HIS 1925Ca 0.10 -0.19 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 2b0h h HIS 1925Cb 0.30 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 2b0h h HIS 1925CO -0.26 0.87 0.21 0.78 0.86 0.00 0.00 177.93 180.39 2b0h h GLY 1926N 1.16 0.88 0.86 2.45 0.00 -1.18 -1.92 103.07 105.32 2b0h h GLY 1926Ca 0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 2b0h h GLY 1926CO 0.09 0.45 0.03 0.00 0.00 0.00 0.00 176.54 177.11 2b0h h SER 1928N 0.21 0.84 -0.15 0.00 4.64 -1.43 0.18 113.55 117.84 2b0h h SER 1928Ca 0.07 -0.17 -0.08 0.00 -0.47 0.00 0.00 61.79 61.15 2b0h h SER 1928Cb 0.35 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2b0h h SER 1928CO 0.01 0.84 -0.21 0.00 -0.87 0.00 0.00 176.83 176.59 2b0h h ALA 1929N 1.27 0.23 0.03 5.18 0.00 -1.26 -2.95 119.26 121.75 2b0h h ALA 1929Ca 0.18 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2b0h h ALA 1929Cb 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2b0h h ALA 1929CO 0.00 0.17 -0.01 1.25 0.00 0.00 0.00 179.25 180.67 2b0h h LEU 1930N 0.03 -0.03 -1.73 0.00 6.46 -0.61 -1.63 115.31 117.80 2b0h h LEU 1930Ca 0.02 -0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.62 2b0h h LEU 1930Cb 0.78 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.71 2b0h h LEU 1930CO 0.05 0.10 -0.17 -0.37 -0.62 0.00 0.00 178.44 177.43 2b0h h VAL 1931N -0.16 0.92 -0.24 1.05 -1.51 -1.07 0.22 116.25 115.46 2b0h h VAL 1931Ca -0.00 -0.63 -0.15 0.00 -1.23 0.00 0.00 66.70 64.69 2b0h h VAL 1931Cb 0.15 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 2b0h h VAL 1931CO 0.01 0.17 -0.43 0.74 -1.23 0.00 0.00 177.57 176.82 2b0h h THR 1932N 0.00 1.31 0.00 7.19 2.02 -1.31 -2.56 112.91 119.56 2b0h h THR 1932Ca -0.00 -1.64 -0.10 0.00 0.77 0.00 0.00 66.41 65.44 2b0h h THR 1932Cb 0.34 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 2b0h h THR 1932CO 0.02 0.52 -0.46 0.11 0.37 0.00 0.00 175.52 176.08 2b0h h LYS 1933N 0.43 0.00 0.01 6.66 1.79 -0.31 0.49 116.57 125.66 2b0h h LYS 1933Ca 0.01 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2b0h h LYS 1933Cb 1.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2b0h h LYS 1933CO 0.10 0.46 -0.01 0.00 -1.08 0.00 0.00 179.45 178.92 2b0h h ALA 1934N 1.54 -0.02 -0.02 3.86 0.00 -0.54 0.21 119.26 124.29 2b0h h ALA 1934Ca -0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2b0h h ALA 1934Cb 1.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2b0h h ALA 1934CO 0.06 -0.49 -0.48 0.78 0.00 0.00 0.00 179.25 179.12 2b0h h GLY 1935N -0.07 0.05 1.16 0.00 0.00 -1.28 -2.82 103.07 100.11 2b0h h GLY 1935Ca -0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 47.33 47.12 2b0h h GLY 1935CO 0.00 0.04 -0.38 0.00 0.00 0.00 0.00 176.54 176.21 2b0h h ALA 1936N 1.48 0.60 -0.17 3.60 0.00 -0.60 -2.60 119.26 121.57 2b0h h ALA 1936Ca -0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 2b0h h ALA 1936Cb 0.86 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2b0h h ALA 1936CO 0.06 0.68 -0.42 1.25 0.00 0.00 0.00 179.25 180.82 2b0h h LEU 1937N 0.75 0.43 -0.93 0.00 5.85 -0.48 0.86 115.31 121.80 2b0h h LEU 1937Ca 0.06 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 2b0h h LEU 1937Cb 0.97 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2b0h h LEU 1937CO 0.09 0.81 -0.35 0.06 -0.34 0.00 0.00 178.44 178.71 2b0h h GLN 1938N 0.34 0.00 0.01 1.25 -0.00 -1.47 -1.22 115.11 114.02 2b0h h GLN 1938Ca 0.03 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.47 2b0h h GLN 1938Cb 0.88 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.35 2b0h h GLN 1938CO 0.07 0.35 -0.90 0.00 -0.00 0.00 0.00 178.83 178.35 2b0h n SER 1940N -3.67 1.51 0.19 0.00 7.64 0.24 -4.96 113.62 114.57 2b0h n SER 1940Ca -0.04 -2.87 0.07 0.00 1.01 0.00 0.00 58.87 57.04 2b0h n SER 1940Cb 0.82 -0.66 0.28 0.00 -1.01 0.00 0.00 64.21 63.64 2b0h n SER 1940CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2b0h h PRO 1941N 5.30 0.00 0.00 1.43 0.11 -1.43 -3.01 132.00 134.39 2b0h h PRO 1941Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2b0h h PRO 1941Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2b0h h PRO 1941CO 0.57 0.34 -0.36 0.77 -0.21 0.00 0.00 178.00 179.11 2b0h h SER 1942N 0.00 0.00 -3.57 -2.05 0.02 -1.93 -3.44 113.55 102.59 2b0h h SER 1942Ca -0.00 -0.11 -0.58 0.00 -0.84 0.00 0.00 61.79 60.26 2b0h h SER 1942Cb 1.00 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.46 2b0h h SER 1942CO 0.04 0.06 0.79 -0.62 -1.14 0.00 0.00 176.83 175.96 2b0h s ASP 1943N -4.49 6.69 0.34 3.07 2.15 -1.14 -4.89 116.67 118.40 2b0h s ASP 1943Ca 0.08 0.57 0.15 0.00 0.43 0.00 0.00 52.55 53.78 2b0h s ASP 1943Cb 0.12 -2.51 0.60 0.00 -0.30 0.00 0.00 42.92 40.83 2b0h s ASP 1943CO 0.67 -1.05 1.72 1.62 -0.17 0.00 0.00 175.17 177.96 2b0h h VAL 1944N 6.01 1.15 -0.30 1.11 3.04 -1.87 -3.21 116.25 122.18 2b0h h VAL 1944Ca -0.23 -1.66 -0.13 0.00 -1.01 0.00 0.00 66.70 63.68 2b0h h VAL 1944Cb 1.07 1.94 -0.00 0.00 -2.01 0.00 0.00 31.29 32.28 2b0h h VAL 1944CO 1.06 0.45 -0.30 1.88 -1.01 0.00 0.00 177.57 179.65 2b0h h TYR 1945N 0.00 0.88 -0.99 3.17 0.05 -1.95 0.44 116.97 118.57 2b0h h TYR 1945Ca -0.00 -0.27 0.05 0.00 0.05 0.00 0.00 58.73 58.56 2b0h h TYR 1945Cb 0.91 -0.19 -0.06 0.00 1.01 0.00 0.00 36.73 38.40 2b0h h TYR 1945CO 0.00 1.02 0.64 1.15 -1.05 0.00 0.00 178.16 179.92 2b0h h THR 1946N 0.49 1.13 -0.24 -2.88 2.02 -1.90 -1.17 112.91 110.35 2b0h h THR 1946Ca 0.05 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.78 2b0h h THR 1946Cb 0.87 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2b0h h THR 1946CO 0.07 0.22 -0.01 0.50 0.37 0.00 0.00 175.52 176.67 2b0h h LYS 1947N 1.20 0.44 -0.11 6.66 3.64 -1.40 -2.83 116.57 124.17 2b0h h LYS 1947Ca 0.41 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 59.69 2b0h h LYS 1947Cb 0.09 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 2b0h h LYS 1947CO -0.15 0.62 -0.23 0.87 -2.27 0.00 0.00 179.45 178.30 2b0h h LYS 1948N 0.20 -0.29 -0.92 1.90 1.79 0.38 -1.75 116.57 117.89 2b0h h LYS 1948Ca 0.07 0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.66 2b0h h LYS 1948Cb 0.43 0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 31.08 2b0h h LYS 1948CO 0.01 -0.19 0.59 0.93 -1.08 0.00 0.00 179.45 179.71 2b0h h GLU 1949N -0.30 0.89 -0.09 3.15 5.08 -1.22 0.17 114.58 122.25 2b0h h GLU 1949Ca 0.09 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2b0h h GLU 1949Cb 0.44 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2b0h h GLU 1949CO -0.28 0.59 0.04 1.25 -1.00 0.00 0.00 179.01 179.60 2b0h h LEU 1950N 0.91 0.13 -0.77 1.33 6.46 -1.09 0.20 115.31 122.48 2b0h h LEU 1950Ca 0.43 -0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.99 2b0h h LEU 1950Cb 0.42 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 2b0h h LEU 1950CO -0.19 0.25 0.32 0.40 -0.62 0.00 0.00 178.44 178.60 2b0h h ILE 1951N 0.00 1.26 0.00 4.05 5.03 -0.51 -1.13 117.51 126.21 2b0h h ILE 1951Ca 0.03 -0.79 -0.02 0.00 -0.12 0.00 0.00 64.86 63.96 2b0h h ILE 1951Cb 0.16 0.33 -0.00 0.00 -3.03 0.00 0.00 36.82 34.27 2b0h h ILE 1951CO -0.00 0.32 -0.12 -0.33 -0.68 0.00 0.00 178.15 177.34 2b0h h GLU 1952N 1.11 0.00 0.16 2.37 5.08 -0.39 -2.57 114.58 120.35 2b0h h GLU 1952Ca 0.26 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.41 2b0h h GLU 1952Cb 0.19 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.47 2b0h h GLU 1952CO -0.02 0.12 -0.91 0.00 -1.00 0.00 0.00 179.01 177.19 2b0h h ALA 1954N 0.09 1.08 0.00 0.00 0.00 -0.98 -0.61 119.26 118.83 2b0h h ALA 1954Ca -0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2b0h h ALA 1954Cb 1.71 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2b0h h ALA 1954CO 0.17 0.45 -0.07 0.07 0.00 0.00 0.00 179.25 179.86 2b0h h ARG 1955N 1.12 0.00 0.00 0.00 -0.00 -1.59 0.37 114.38 114.28 2b0h h ARG 1955Ca 0.32 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 60.26 2b0h h ARG 1955Cb -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.88 2b0h h ARG 1955CO -0.08 0.07 -0.15 0.00 -0.00 0.00 0.00 179.97 179.80 2b0h h ARG 1956N 0.00 0.10 0.00 0.08 3.08 -1.20 -3.34 114.38 113.10 2b0h h ARG 1956Ca -0.00 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.82 2b0h h ARG 1956Cb 0.20 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2b0h h ARG 1956CO 0.01 0.89 -0.56 -0.39 -1.07 0.00 0.00 179.97 178.85 2b0h h VAL 1957N -0.65 1.19 0.00 2.04 -1.51 -0.75 -2.78 116.25 113.80 2b0h h VAL 1957Ca -0.02 -2.07 -0.03 0.00 -1.23 0.00 0.00 66.70 63.36 2b0h h VAL 1957Cb 0.95 2.19 -0.00 0.00 -2.13 0.00 0.00 31.29 32.29 2b0h h VAL 1957CO 0.03 0.55 -0.12 0.28 -1.23 0.00 0.00 177.57 177.08 2b0h h SER 1958N 0.00 0.00 0.62 4.19 0.02 -1.08 0.11 113.55 117.41 2b0h h SER 1958Ca -0.01 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 2b0h h SER 1958Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2b0h h SER 1958CO 0.07 0.12 -1.26 -0.33 -1.14 0.00 0.00 176.83 174.29 2b0h h GLU 1959N 0.00 0.28 -0.31 3.45 4.39 -1.61 -3.07 114.58 117.71 2b0h h GLU 1959Ca -0.00 -0.47 -0.09 0.00 0.34 0.00 0.00 59.36 59.14 2b0h h GLU 1959Cb 0.36 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2b0h h GLU 1959CO 0.02 1.22 -0.17 0.87 -1.16 0.00 0.00 179.01 179.79 2b0h h LYS 1960N 0.08 0.55 -0.25 2.33 1.57 -0.90 0.28 116.57 120.23 2b0h h LYS 1960Ca -0.14 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.36 2b0h h LYS 1960Cb 1.98 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 34.23 2b0h h LYS 1960CO 0.20 0.70 -0.24 -0.39 -0.57 0.00 0.00 179.45 179.15 2b0h h VAL 1961N 0.50 1.26 0.00 0.50 -1.51 -0.95 -2.12 116.25 113.93 2b0h h VAL 1961Ca 0.08 -1.23 -0.07 0.00 -1.23 0.00 0.00 66.70 64.25 2b0h h VAL 1961Cb 0.58 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.07 2b0h h VAL 1961CO 0.04 0.39 -0.34 0.28 -1.23 0.00 0.00 177.57 176.71 2b0h h SER 1962N 0.41 0.00 0.02 4.19 0.02 -1.14 -2.24 113.55 114.82 2b0h h SER 1962Ca 0.06 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.89 2b0h h SER 1962Cb 0.64 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2b0h h SER 1962CO 0.05 0.34 -0.40 0.45 -1.14 0.00 0.00 176.83 176.13 2b0h h HIS 1963N 0.00 0.58 -0.33 3.45 -0.00 0.15 0.29 115.15 119.29 2b0h h HIS 1963Ca -0.00 -0.16 -0.05 0.00 -0.00 0.00 0.00 60.37 60.16 2b0h h HIS 1963Cb 0.93 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 28.20 2b0h h HIS 1963CO 0.00 0.82 0.03 0.28 -0.00 0.00 0.00 177.93 179.05 2b0h h VAL 1964N 0.41 1.25 -0.25 2.45 2.07 -1.05 -1.90 116.25 119.23 2b0h h VAL 1964Ca 0.04 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.70 2b0h h VAL 1964Cb 0.88 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 2b0h h VAL 1964CO 0.07 0.30 -0.03 -0.07 0.02 0.00 0.00 177.57 177.86 2b0h h LEU 1965N 0.38 -0.17 -1.97 2.57 3.38 -1.13 0.03 115.31 118.41 2b0h h LEU 1965Ca 0.10 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2b0h h LEU 1965Cb 0.40 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2b0h h LEU 1965CO 0.01 -0.05 -0.10 0.00 0.09 0.00 0.00 178.44 178.39 2b0h h ALA 1966N 1.23 1.51 0.09 1.53 0.00 -0.85 -0.31 119.26 122.47 2b0h h ALA 1966Ca 0.12 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 2b0h h ALA 1966Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2b0h h ALA 1966CO -0.23 0.13 -1.14 0.00 0.00 0.00 0.00 179.25 178.01 2b0h h ALA 1967N 1.90 0.20 0.18 0.00 0.00 -0.43 -3.17 119.26 117.93 2b0h h ALA 1967Ca -0.00 -0.83 -0.31 0.00 0.00 0.00 0.00 54.91 53.77 2b0h h ALA 1967Cb 0.23 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.04 2b0h h ALA 1967CO 0.01 0.94 -1.34 -0.07 0.00 0.00 0.00 179.25 178.79 2b0h h LEU 1968N 0.11 0.77 0.00 0.00 3.38 -0.26 -2.99 115.31 116.32 2b0h h LEU 1968Ca -0.11 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.09 2b0h h LEU 1968Cb 1.84 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.34 2b0h h LEU 1968CO 0.19 1.59 0.00 0.00 0.09 0.00 0.00 178.44 180.31 2b0h n GLN 1969N -3.71 0.85 -3.09 1.13 3.00 -0.20 -4.79 117.38 110.58 2b0h n GLN 1969Ca -0.14 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.54 2b0h n GLN 1969Cb 1.04 -1.31 -0.05 0.00 0.00 0.00 0.00 30.24 29.92 2b0h n GLN 1969CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2b0h s ALA 1970N -2.00 3.36 0.00 -1.58 0.00 -1.13 -5.06 121.76 115.35 2b0h s ALA 1970Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2b0h s ALA 1970Cb 0.12 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.53 2b0h s ALA 1970CO 0.19 0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.61 2b0h n GLY 1971N -0.63 5.43 1.07 0.00 0.00 -1.26 -4.99 105.19 104.81 2b0h n GLY 1971Ca 0.03 -1.32 0.12 0.00 0.00 0.00 0.00 46.02 44.85 2b0h n GLY 1971CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2b0h n ASN 1972N 0.00 3.22 0.00 1.61 3.02 -1.26 -4.87 115.26 116.98 2b0h n ASN 1972Ca 0.00 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 2b0h n ASN 1972Cb 0.00 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 2b0h n ASN 1972CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18