#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 5.17 -0.42 -0.61 -1.09 -1.26 -5.02 121.20 117.96 2b0h s ILE 1838Ca 0.00 -1.83 -0.11 0.00 -2.23 0.00 0.00 60.65 56.48 2b0h s ILE 1838Cb 0.00 -4.29 0.07 0.00 -1.58 0.00 0.00 42.46 36.67 2b0h s ILE 1838CO 0.00 -0.90 0.28 -1.81 -1.23 0.00 0.00 174.94 171.28 2b0h s ASP 1839N 3.03 5.75 0.44 3.58 1.11 -1.26 -4.93 116.67 124.38 2b0h s ASP 1839Ca 0.08 -1.42 0.29 0.00 0.18 0.00 0.00 52.55 51.68 2b0h s ASP 1839Cb -0.24 -2.03 1.09 0.00 1.07 0.00 0.00 42.92 42.81 2b0h s ASP 1839CO -0.01 -0.54 1.85 -0.65 1.18 0.00 0.00 175.17 177.00 2b0h h PRO 1840N 8.48 0.00 0.00 8.23 0.11 -2.08 -3.45 132.00 143.29 2b0h h PRO 1840Ca -0.24 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.42 2b0h h PRO 1840Cb 1.09 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.09 2b0h h PRO 1840CO 0.77 0.00 -0.42 1.19 -0.21 0.00 0.00 178.00 179.33 2b0h n PHE 1841N -2.83 -0.47 0.92 0.65 3.72 -1.26 -5.04 117.46 113.15 2b0h n PHE 1841Ca 0.02 -2.48 0.12 0.00 -0.05 0.00 0.00 57.45 55.05 2b0h n PHE 1841Cb 0.33 0.18 0.10 0.00 -0.94 0.00 0.00 39.48 39.16 2b0h n PHE 1841CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2b0h n THR 1842N -0.65 0.03 -2.49 4.37 -2.24 -1.26 -5.04 114.28 107.01 2b0h n THR 1842Ca 0.03 -0.52 -0.04 0.00 -2.27 0.00 0.00 64.05 61.25 2b0h n THR 1842Cb 0.55 1.45 -0.04 0.00 -2.10 0.00 0.00 70.33 70.19 2b0h n THR 1842CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2b0h n MET 1843N 1.32 -3.97 -3.04 -0.78 1.56 -1.26 -4.91 117.12 106.05 2b0h n MET 1843Ca 0.14 3.06 -0.44 0.00 -0.27 0.00 0.00 57.70 60.19 2b0h n MET 1843Cb 0.58 -4.70 0.00 0.00 2.15 0.00 0.00 33.22 31.25 2b0h n MET 1843CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2b0h n GLY 1844N 1.37 4.45 3.68 -5.12 0.00 -1.26 -5.01 105.19 103.29 2b0h n GLY 1844Ca -0.32 -2.45 -0.42 0.00 0.00 0.00 0.00 46.02 42.83 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 0.53 6.60 0.29 1.61 -4.77 -1.26 -4.90 116.67 114.78 2b0h s ASP 1845Ca 0.34 2.43 0.14 0.00 -3.30 0.00 0.00 52.55 52.16 2b0h s ASP 1845Cb -0.02 -2.55 0.37 0.00 -1.09 0.00 0.00 42.92 39.63 2b0h s ASP 1845CO 0.00 -0.92 1.59 -0.65 0.70 0.00 0.00 175.17 175.89 2b0h h PRO 1846N 9.01 0.00 -1.13 2.11 0.11 -1.95 -3.32 132.00 136.83 2b0h h PRO 1846Ca -0.42 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.06 2b0h h PRO 1846Cb 1.20 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.94 2b0h h PRO 1846CO 0.94 0.56 -0.04 -1.91 -0.21 0.00 0.00 178.00 177.34 2b0h n GLU 1847N -3.55 3.19 -0.11 1.05 2.13 -1.26 -4.58 120.64 117.51 2b0h n GLU 1847Ca -0.00 -3.88 -0.15 0.00 0.66 0.00 0.00 57.16 53.79 2b0h n GLU 1847Cb 0.64 -2.28 -0.10 0.00 0.27 0.00 0.00 31.44 29.97 2b0h n GLU 1847CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2b0h n GLY 1848N -0.71 -0.32 0.00 8.31 0.00 -1.25 -4.33 105.19 106.90 2b0h n GLY 1848Ca 0.50 -0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.51 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 -3.11 0.00 0.00 1.61 2.88 -1.26 -2.94 113.62 110.80 2b0h n SER 1849Ca -0.38 0.19 0.19 0.00 -1.33 0.00 0.00 58.87 57.54 2b0h n SER 1849Cb 0.91 -0.39 0.67 0.00 -0.75 0.00 0.00 64.21 64.65 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 0.05 0.00 0.66 3.57 -1.76 -0.92 116.94 118.53 2b0h h PHE 1850Ca 0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 2b0h h PHE 1850Cb 0.38 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2b0h h PHE 1850CO 0.00 0.02 -0.23 -0.39 -2.23 0.00 0.00 178.31 175.48 2b0h h VAL 1851N 0.04 0.91 0.55 1.41 -1.51 -1.80 0.88 116.25 116.73 2b0h h VAL 1851Ca 0.24 -0.87 -0.03 0.00 -1.23 0.00 0.00 66.70 64.82 2b0h h VAL 1851Cb 0.92 1.50 0.01 0.00 -2.13 0.00 0.00 31.29 31.59 2b0h h VAL 1851CO -0.01 0.23 -0.26 0.44 -1.23 0.00 0.00 177.57 176.73 2b0h h ASP 1852N 0.00 -0.63 0.06 4.19 3.32 -1.40 -1.57 116.42 120.40 2b0h h ASP 1852Ca -0.00 -0.04 -0.14 0.00 0.02 0.00 0.00 57.03 56.87 2b0h h ASP 1852Cb 0.48 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 2b0h h ASP 1852CO 0.03 -0.34 -0.49 1.88 -1.72 0.00 0.00 179.24 178.60 2b0h h TYR 1853N -0.90 0.60 -0.13 4.55 0.05 -1.59 -3.05 116.97 116.49 2b0h h TYR 1853Ca -0.08 -0.19 0.05 0.00 0.05 0.00 0.00 58.73 58.56 2b0h h TYR 1853Cb 0.62 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 38.19 2b0h h TYR 1853CO -0.01 0.88 -0.24 0.37 -1.05 0.00 0.00 178.16 178.11 2b0h h GLN 1854N 0.39 -0.29 -0.67 4.88 4.15 -0.78 -2.47 115.11 120.31 2b0h h GLN 1854Ca 0.02 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2b0h h GLN 1854Cb 1.00 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.72 2b0h h GLN 1854CO 0.09 -0.20 0.38 1.15 -1.93 0.00 0.00 178.83 178.33 2b0h h THR 1855N -0.31 1.20 -0.11 2.39 2.02 -1.18 -2.52 112.91 114.41 2b0h h THR 1855Ca 0.10 -0.47 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 2b0h h THR 1855Cb 0.46 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2b0h h THR 1855CO -0.31 0.21 -0.12 0.00 0.37 0.00 0.00 175.52 175.68 2b0h h THR 1856N 0.91 1.36 0.00 3.16 1.03 -1.43 -2.84 112.91 115.09 2b0h h THR 1856Ca 0.24 -1.29 -0.06 0.00 -0.01 0.00 0.00 66.41 65.29 2b0h h THR 1856Cb 0.01 1.96 -0.01 0.00 -1.07 0.00 0.00 68.15 69.03 2b0h h THR 1856CO -0.04 0.37 -0.31 0.00 -0.01 0.00 0.00 175.52 175.53 2b0h h MET 1857N -0.12 0.00 -0.03 0.00 -0.00 -1.42 0.52 114.93 113.87 2b0h h MET 1857Ca 0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.57 2b0h h MET 1857Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.23 2b0h h MET 1857CO 0.03 0.31 -0.65 -0.39 -0.00 0.00 0.00 176.91 176.21 2b0h h VAL 1858N 0.00 1.43 -0.24 -0.10 -1.51 -1.49 0.10 116.25 114.44 2b0h h VAL 1858Ca -0.00 -2.14 -0.19 0.00 -1.23 0.00 0.00 66.70 63.14 2b0h h VAL 1858Cb 1.09 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 32.38 2b0h h VAL 1858CO 0.04 0.62 -0.60 0.03 -1.23 0.00 0.00 177.57 176.44 2b0h h ARG 1859N 0.10 0.78 -0.72 5.19 2.47 -1.16 -2.57 114.38 118.48 2b0h h ARG 1859Ca -0.01 -0.52 -0.03 0.00 -1.26 0.00 0.00 59.98 58.15 2b0h h ARG 1859Cb 1.16 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.52 2b0h h ARG 1859CO 0.09 1.15 0.32 1.15 0.56 0.00 0.00 179.97 183.24 2b0h h THR 1860N 0.58 1.24 -0.96 2.04 2.02 -0.75 -1.13 112.91 115.96 2b0h h THR 1860Ca -0.00 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.48 2b0h h THR 1860Cb 1.19 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 2b0h h THR 1860CO 0.13 0.29 0.63 0.00 0.37 0.00 0.00 175.52 176.94 2b0h h ALA 1861N 1.16 1.22 -0.66 6.16 0.00 -0.91 0.61 119.26 126.83 2b0h h ALA 1861Ca 0.24 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2b0h h ALA 1861Cb 0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2b0h h ALA 1861CO -0.03 0.59 0.12 0.87 0.00 0.00 0.00 179.25 180.81 2b0h h LYS 1862N 1.28 1.08 -0.65 0.00 1.57 -1.02 0.18 116.57 119.01 2b0h h LYS 1862Ca 0.36 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2b0h h LYS 1862Cb -0.13 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.02 2b0h h LYS 1862CO -0.08 0.98 0.15 0.00 -0.57 0.00 0.00 179.45 179.93 2b0h h ALA 1863N 1.11 1.05 -0.11 3.86 0.00 -0.42 -0.70 119.26 124.05 2b0h h ALA 1863Ca 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2b0h h ALA 1863Cb 0.41 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2b0h h ALA 1863CO 0.01 0.63 0.02 0.82 0.00 0.00 0.00 179.25 180.73 2b0h h ILE 1864N 0.97 1.20 -0.52 0.00 2.04 -0.51 -2.60 117.51 118.10 2b0h h ILE 1864Ca 0.20 -0.63 0.06 0.00 1.00 0.00 0.00 64.86 65.49 2b0h h ILE 1864Cb 0.35 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 2b0h h ILE 1864CO 0.00 0.18 0.24 0.00 0.00 0.00 0.00 178.15 178.57 2b0h h ALA 1865N 0.81 0.66 -0.11 1.87 0.00 -0.28 -0.14 119.26 122.08 2b0h h ALA 1865Ca 0.03 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2b0h h ALA 1865Cb 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2b0h h ALA 1865CO 0.00 -0.13 -0.33 -0.24 0.00 0.00 0.00 179.25 178.55 2b0h h VAL 1866N 0.46 1.27 0.05 0.00 3.04 -1.17 -1.56 116.25 118.33 2b0h h VAL 1866Ca 0.24 -1.31 -0.00 0.00 -1.01 0.00 0.00 66.70 64.62 2b0h h VAL 1866Cb 0.20 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 2b0h h VAL 1866CO -0.20 0.39 -0.02 0.74 -1.01 0.00 0.00 177.57 177.47 2b0h h THR 1867N 0.18 1.16 -0.06 3.17 2.02 -0.80 0.44 112.91 119.03 2b0h h THR 1867Ca 0.02 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 2b0h h THR 1867Cb 0.68 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 2b0h h THR 1867CO 0.05 0.17 -0.07 -0.37 0.37 0.00 0.00 175.52 175.68 2b0h h VAL 1868N -0.37 1.09 0.00 3.16 -1.51 -0.94 0.22 116.25 117.91 2b0h h VAL 1868Ca -0.01 -0.38 -0.13 0.00 -1.23 0.00 0.00 66.70 64.95 2b0h h VAL 1868Cb 0.33 1.12 -0.02 0.00 -2.13 0.00 0.00 31.29 30.59 2b0h h VAL 1868CO 0.01 0.12 -0.63 -0.61 -1.23 0.00 0.00 177.57 175.23 2b0h h GLN 1869N 0.09 0.00 -0.00 5.19 5.75 -1.06 -2.13 115.11 122.94 2b0h h GLN 1869Ca 0.02 0.00 -0.27 0.00 -0.15 0.00 0.00 58.65 58.26 2b0h h GLN 1869Cb 0.18 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.75 2b0h h GLN 1869CO 0.01 0.63 -1.03 0.93 -2.65 0.00 0.00 178.83 176.72 2b0h h GLU 1870N 0.00 0.71 -0.50 1.69 5.08 0.79 -3.00 114.58 119.35 2b0h h GLU 1870Ca -0.01 -0.76 0.03 0.00 -1.00 0.00 0.00 59.36 57.63 2b0h h GLU 1870Cb 1.29 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.72 2b0h h GLU 1870CO 0.08 1.33 0.27 0.52 -1.00 0.00 0.00 179.01 180.21 2b0h h MET 1871N 0.40 0.53 -0.14 2.33 2.86 -0.41 0.50 114.93 120.99 2b0h h MET 1871Ca -0.13 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.36 2b0h h MET 1871Cb 1.69 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 33.22 2b0h h MET 1871CO 0.20 0.35 -0.45 -0.39 1.06 0.00 0.00 176.91 177.68 2b0h h VAL 1872N 0.54 1.32 0.06 -2.22 -1.51 -1.50 -1.46 116.25 111.48 2b0h h VAL 1872Ca 0.21 -1.64 -0.00 0.00 -1.23 0.00 0.00 66.70 64.04 2b0h h VAL 1872Cb 0.07 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 2b0h h VAL 1872CO -0.12 0.50 -0.03 0.74 -1.23 0.00 0.00 177.57 177.42 2b0h h THR 1873N 0.28 1.20 -0.42 7.19 2.02 -1.21 -3.26 112.91 118.71 2b0h h THR 1873Ca 0.02 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 66.25 2b0h h THR 1873Cb 0.91 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 69.09 2b0h h THR 1873CO 0.08 0.23 0.15 0.11 0.37 0.00 0.00 175.52 176.45 2b0h h LYS 1874N -0.50 0.61 -0.02 6.66 1.79 0.04 -2.91 116.57 122.24 2b0h h LYS 1874Ca -0.01 -0.09 0.01 0.00 -2.18 0.00 0.00 60.65 58.38 2b0h h LYS 1874Cb 0.44 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2b0h h LYS 1874CO 0.01 0.52 0.22 0.66 -1.08 0.00 0.00 179.45 179.79 2b0h h SER 1875N 0.60 0.00 1.19 0.86 4.64 -1.30 1.25 113.55 120.79 2b0h h SER 1875Ca 0.15 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.36 2b0h h SER 1875Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 2b0h h SER 1875CO -0.01 0.00 -0.86 0.78 -0.87 0.00 0.00 176.83 175.87 2b0h h ASN 1876N 0.00 0.00 0.00 4.97 2.35 -1.68 -3.39 115.58 117.83 2b0h h ASN 1876Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2b0h h ASN 1876Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2b0h h ASN 1876CO -0.00 0.43 -0.99 0.35 -1.65 0.00 0.00 177.43 175.57 2b0h n THR 1877N -3.03 0.00 -3.76 2.81 -2.24 0.32 -5.02 114.28 103.35 2b0h n THR 1877Ca -0.02 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.51 2b0h n THR 1877Cb 0.74 -0.78 -0.17 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.83 2.14 0.11 3.42 0.01 0.40 -4.93 113.70 112.02 2b0h s SER 1878Ca 0.00 -0.38 0.09 0.00 1.31 0.00 0.00 55.95 56.97 2b0h s SER 1878Cb 0.00 -0.52 -0.18 0.00 0.21 0.00 0.00 66.02 65.53 2b0h s SER 1878CO 0.00 -0.23 1.18 -0.65 0.41 0.00 0.00 173.24 173.94 2b0h h PRO 1879N 8.29 0.00 0.51 12.44 0.11 -1.84 -3.29 132.00 148.22 2b0h h PRO 1879Ca -0.19 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.91 2b0h h PRO 1879Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2b0h h PRO 1879CO 0.30 0.82 -0.42 0.93 -0.21 0.00 0.00 178.00 179.42 2b0h h GLU 1880N 0.00 -0.88 0.00 1.05 4.39 -1.91 -2.14 114.58 115.09 2b0h h GLU 1880Ca -0.06 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2b0h h GLU 1880Cb 1.76 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 30.61 2b0h h GLU 1880CO 0.11 -0.59 0.00 0.39 -1.16 0.00 0.00 179.01 177.76 2b0h n GLU 1881N -5.53 0.12 0.23 2.33 4.71 -1.26 -2.14 120.64 119.10 2b0h n GLU 1881Ca -0.12 0.59 0.11 0.00 -0.01 0.00 0.00 57.16 57.73 2b0h n GLU 1881Cb 0.42 -1.87 0.44 0.00 -1.01 0.00 0.00 31.44 29.43 2b0h n GLU 1881CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2b0h h LEU 1882N 0.00 0.00 0.65 -4.62 3.38 -1.58 -2.63 115.31 110.51 2b0h h LEU 1882Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2b0h h LEU 1882Cb 0.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.80 2b0h h LEU 1882CO 0.00 0.18 -0.31 1.23 0.09 0.00 0.00 178.44 179.62 2b0h h GLY 1883N 2.36 -0.92 0.91 0.83 0.00 -1.53 -1.54 103.07 103.17 2b0h h GLY 1883Ca -0.00 0.34 0.07 0.00 0.00 0.00 0.00 47.33 47.74 2b0h h GLY 1883CO 0.02 -0.33 0.53 -0.56 0.00 0.00 0.00 176.54 176.20 2b0h h PRO 1884N -1.16 0.84 -0.79 4.80 0.13 -1.77 -2.33 132.00 131.72 2b0h h PRO 1884Ca -0.09 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 2b0h h PRO 1884Cb 0.67 -0.19 -0.04 0.00 0.13 0.00 0.00 31.00 31.58 2b0h h PRO 1884CO 0.15 0.56 0.44 -0.07 -0.23 0.00 0.00 178.00 178.84 2b0h h LEU 1885N 0.86 0.98 -0.32 1.56 3.38 -1.45 0.44 115.31 120.76 2b0h h LEU 1885Ca 0.36 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2b0h h LEU 1885Cb 0.28 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2b0h h LEU 1885CO -0.13 0.79 0.11 0.00 0.09 0.00 0.00 178.44 179.30 2b0h h ALA 1886N 1.23 0.42 -0.61 1.53 0.00 -0.78 -0.57 119.26 120.49 2b0h h ALA 1886Ca 0.28 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2b0h h ALA 1886Cb 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2b0h h ALA 1886CO -0.05 0.05 0.16 -0.97 0.00 0.00 0.00 179.25 178.44 2b0h h ASN 1887N 0.37 0.88 0.06 0.00 -1.24 -1.08 -2.11 115.58 112.46 2b0h h ASN 1887Ca 0.11 -0.16 -0.00 0.00 0.71 0.00 0.00 56.30 56.95 2b0h h ASN 1887Cb 0.22 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.04 2b0h h ASN 1887CO -0.01 0.85 -0.03 -0.61 -1.29 0.00 0.00 177.43 176.35 2b0h h GLN 1888N 0.90 -0.08 -0.71 6.67 5.75 0.22 -0.38 115.11 127.48 2b0h h GLN 1888Ca 0.20 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.75 2b0h h GLN 1888Cb 0.31 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.83 2b0h h GLN 1888CO -0.00 0.06 0.43 1.25 -2.65 0.00 0.00 178.83 177.91 2b0h h LEU 1889N -0.19 0.67 -0.47 -2.39 6.46 -1.01 -1.96 115.31 116.41 2b0h h LEU 1889Ca -0.01 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2b0h h LEU 1889Cb 0.17 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 2b0h h LEU 1889CO 0.01 0.45 0.28 0.74 -0.62 0.00 0.00 178.44 179.30 2b0h h THR 1890N 0.81 1.15 -0.28 1.05 2.02 -1.02 -1.95 112.91 114.68 2b0h h THR 1890Ca 0.30 -0.34 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 2b0h h THR 1890Cb 0.11 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2b0h h THR 1890CO -0.15 0.15 -0.13 0.28 0.37 0.00 0.00 175.52 176.04 2b0h h SER 1891N 0.63 0.60 0.39 4.18 0.02 -0.68 -2.99 113.55 115.69 2b0h h SER 1891Ca 0.17 -0.41 -0.07 0.00 -0.84 0.00 0.00 61.79 60.64 2b0h h SER 1891Cb -0.00 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 2b0h h SER 1891CO -0.03 0.87 -0.34 0.44 -1.14 0.00 0.00 176.83 176.64 2b0h h ASP 1892N 0.33 0.00 -0.69 3.07 5.19 -1.29 -1.67 116.42 121.35 2b0h h ASP 1892Ca 0.06 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 2b0h h ASP 1892Cb 0.65 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.12 2b0h h ASP 1892CO 0.04 0.34 0.38 0.22 -3.12 0.00 0.00 179.24 177.10 2b0h h TYR 1893N 0.00 0.96 -0.76 4.55 3.20 -1.22 -1.26 116.97 122.45 2b0h h TYR 1893Ca -0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2b0h h TYR 1893Cb 0.62 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 2b0h h TYR 1893CO 0.00 0.67 0.49 0.78 -1.64 0.00 0.00 178.16 178.46 2b0h h GLY 1894N 1.04 1.07 0.82 1.82 0.00 -1.16 0.12 103.07 106.78 2b0h h GLY 1894Ca 0.25 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 2b0h h GLY 1894CO -0.04 0.40 -0.00 -0.09 0.00 0.00 0.00 176.54 176.81 2b0h h ARG 1895N 1.03 0.36 -0.25 4.80 2.43 -1.30 -2.64 114.38 118.81 2b0h h ARG 1895Ca 0.28 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2b0h h ARG 1895Cb -0.10 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 2b0h h ARG 1895CO -0.06 0.56 0.04 1.25 -1.51 0.00 0.00 179.97 180.26 2b0h h LEU 1896N 0.12 0.00 -2.07 3.80 5.85 -0.52 -1.90 115.31 120.59 2b0h h LEU 1896Ca 0.06 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 2b0h h LEU 1896Cb 0.40 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 2b0h h LEU 1896CO 0.01 0.03 -0.08 0.00 -0.34 0.00 0.00 178.44 178.06 2b0h h ALA 1897N 1.18 1.29 0.00 1.25 0.00 -0.77 -1.40 119.26 120.81 2b0h h ALA 1897Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2b0h h ALA 1897Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2b0h h ALA 1897CO -0.15 0.10 -0.04 1.03 0.00 0.00 0.00 179.25 180.19 2b0h h SER 1898N 0.00 0.00 0.86 0.00 0.87 -0.97 -3.06 113.55 111.25 2b0h h SER 1898Ca -0.00 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 2b0h h SER 1898Cb 0.26 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2b0h h SER 1898CO 0.01 0.00 -1.22 1.56 -0.53 0.00 0.00 176.83 176.66 2b0h h GLN 1899N 0.00 0.00 -0.43 2.24 1.08 -0.97 -3.36 115.11 113.68 2b0h h GLN 1899Ca 0.00 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 2b0h h GLN 1899Cb 1.00 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.41 2b0h h GLN 1899CO 0.00 0.23 -0.03 0.00 -0.95 0.00 0.00 178.83 178.08 2b0h h ALA 1900N 1.58 1.15 0.74 3.87 0.00 -1.33 -1.85 119.26 123.42 2b0h h ALA 1900Ca -0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 2b0h h ALA 1900Cb 1.41 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.03 2b0h h ALA 1900CO 0.04 0.55 -0.36 -0.22 0.00 0.00 0.00 179.25 179.26 2b0h h LYS 1901N 0.66 -0.96 0.00 0.00 1.63 -1.70 -2.50 116.57 113.71 2b0h h LYS 1901Ca 0.13 0.07 -0.08 0.00 -0.85 0.00 0.00 60.65 59.92 2b0h h LYS 1901Cb 0.46 0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 2b0h h LYS 1901CO 0.02 -0.62 -0.38 -1.35 -3.45 0.00 0.00 179.45 173.68 2b0h h PRO 1902N -1.11 0.00 -0.06 1.90 0.11 -1.74 -2.81 132.00 128.28 2b0h h PRO 1902Ca -0.10 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.91 2b0h h PRO 1902Cb 0.78 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 2b0h h PRO 1902CO 0.17 0.38 -0.40 0.00 -0.21 0.00 0.00 178.00 177.93 2b0h h ALA 1903N 1.62 1.22 -0.00 -0.75 0.00 -1.35 0.20 119.26 120.21 2b0h h ALA 1903Ca -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 2b0h h ALA 1903Cb 0.91 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2b0h h ALA 1903CO 0.05 0.55 -0.57 0.00 0.00 0.00 0.00 179.25 179.28 2b0h h ALA 1904N 1.49 1.06 0.00 0.00 0.00 -1.17 -1.53 119.26 119.11 2b0h h ALA 1904Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2b0h h ALA 1904Cb 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2b0h h ALA 1904CO 0.06 0.71 -1.07 1.33 0.00 0.00 0.00 179.25 180.27 2b0h n VAL 1905N -3.87 0.07 0.10 0.00 0.24 -1.08 -4.08 118.33 109.70 2b0h n VAL 1905Ca -0.01 -0.16 -0.19 0.00 -2.04 0.00 0.00 64.34 61.94 2b0h n VAL 1905Cb 0.57 0.47 -0.11 0.00 -1.47 0.00 0.00 33.84 33.30 2b0h n VAL 1905CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b0h h ALA 1906N 2.69 0.10 -2.60 2.33 0.00 -0.25 -3.45 119.26 118.08 2b0h h ALA 1906Ca 0.00 -0.80 -0.50 0.00 0.00 0.00 0.00 54.91 53.62 2b0h h ALA 1906Cb 0.65 0.06 0.05 0.00 0.00 0.00 0.00 17.79 18.55 2b0h h ALA 1906CO 0.00 0.80 0.45 0.00 0.00 0.00 0.00 179.25 180.50 2b0h s ALA 1907N -2.92 2.99 -0.75 0.00 0.00 -0.61 -4.02 121.76 116.45 2b0h s ALA 1907Ca -0.07 0.83 0.22 0.00 0.00 0.00 0.00 51.96 52.94 2b0h s ALA 1907Cb 0.07 -3.34 -0.12 0.00 0.00 0.00 0.00 23.12 19.73 2b0h s ALA 1907CO 0.91 -0.50 0.91 -0.85 0.00 0.00 0.00 175.76 176.22 2b0h n GLU 1908N -0.43 0.18 -3.63 0.00 0.28 -1.26 -4.88 120.64 110.89 2b0h n GLU 1908Ca 0.07 -0.03 -0.37 0.00 -0.16 0.00 0.00 57.16 56.66 2b0h n GLU 1908Cb 0.49 -1.53 -0.06 0.00 1.43 0.00 0.00 31.44 31.77 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 -3.47 6.53 0.12 -1.84 3.84 -1.26 -5.01 114.94 113.85 2b0h s ASN 1909Ca 0.05 0.63 -0.25 0.00 0.21 0.00 0.00 52.86 53.50 2b0h s ASN 1909Cb 0.15 -2.17 -0.06 0.00 -0.55 0.00 0.00 41.25 38.62 2b0h s ASN 1909CO 0.85 0.26 1.66 -0.08 -2.79 0.00 0.00 177.10 176.99 2b0h h GLU 1910N 5.56 -0.32 -0.58 0.43 4.57 -1.95 -3.05 114.58 119.24 2b0h h GLU 1910Ca -0.48 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 57.72 2b0h h GLU 1910Cb 1.20 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.83 2b0h h GLU 1910CO 0.66 -0.21 0.39 0.93 -1.18 0.00 0.00 179.01 179.59 2b0h h GLU 1911N -0.33 0.77 0.19 1.92 5.08 -1.98 0.16 114.58 120.39 2b0h h GLU 1911Ca 0.05 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2b0h h GLU 1911Cb 0.40 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2b0h h GLU 1911CO -0.18 0.51 -0.21 0.82 -1.00 0.00 0.00 179.01 178.96 2b0h h ILE 1912N 0.79 0.54 0.00 3.13 2.04 -1.87 0.25 117.51 122.39 2b0h h ILE 1912Ca 0.21 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.03 2b0h h ILE 1912Cb -0.09 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 2b0h h ILE 1912CO -0.05 0.00 -0.23 1.23 0.00 0.00 0.00 178.15 179.11 2b0h h GLY 1913N -0.44 0.00 0.33 5.37 0.00 -1.40 -2.73 103.07 104.20 2b0h h GLY 1913Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 2b0h h GLY 1913CO -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 176.47 2b0h h ALA 1914N 1.77 -0.00 -0.95 3.60 0.00 -0.17 -3.16 119.26 120.35 2b0h h ALA 1914Ca -0.00 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.63 2b0h h ALA 1914Cb 0.64 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2b0h h ALA 1914CO 0.03 -0.17 0.61 0.45 0.00 0.00 0.00 179.25 180.17 2b0h h HIS 1915N -0.67 1.13 -0.35 0.00 3.86 -0.44 -0.99 115.15 117.69 2b0h h HIS 1915Ca -0.00 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.32 2b0h h HIS 1915Cb 0.67 -0.37 -0.08 0.00 1.06 0.00 0.00 27.41 28.69 2b0h h HIS 1915CO 0.16 0.60 -0.20 0.82 0.86 0.00 0.00 177.93 180.17 2b0h h ILE 1916N 1.13 0.43 0.00 2.45 2.04 -1.55 0.17 117.51 122.18 2b0h h ILE 1916Ca 0.40 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.16 2b0h h ILE 1916Cb 0.12 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2b0h h ILE 1916CO -0.16 0.00 -0.48 0.11 0.00 0.00 0.00 178.15 177.62 2b0h h LYS 1917N -0.15 0.00 -0.03 2.37 1.57 -1.30 -2.18 116.57 116.84 2b0h h LYS 1917Ca 0.18 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.77 2b0h h LYS 1917Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2b0h h LYS 1917CO -0.44 0.48 -0.79 0.45 -0.57 0.00 0.00 179.45 178.57 2b0h h HIS 1918N 0.00 0.42 0.08 -1.35 3.86 -0.29 -2.79 115.15 115.07 2b0h h HIS 1918Ca -0.00 -0.20 -0.26 0.00 -1.16 0.00 0.00 60.37 58.75 2b0h h HIS 1918Cb 0.94 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 2b0h h HIS 1918CO 0.00 0.97 -1.21 0.00 0.86 0.00 0.00 177.93 178.55 2b0h h ARG 1919N 0.19 0.16 0.00 2.45 2.47 -0.46 -2.47 114.38 116.73 2b0h h ARG 1919Ca -0.04 -0.28 -0.08 0.00 -1.26 0.00 0.00 59.98 58.32 2b0h h ARG 1919Cb 1.39 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.80 2b0h h ARG 1919CO 0.13 1.10 -0.40 -0.39 0.56 0.00 0.00 179.97 180.97 2b0h h VAL 1920N 0.04 1.03 -0.65 2.04 -1.51 -1.49 -2.55 116.25 113.17 2b0h h VAL 1920Ca -0.11 -1.51 -0.06 0.00 -1.23 0.00 0.00 66.70 63.79 2b0h h VAL 1920Cb 1.91 1.88 -0.03 0.00 -2.13 0.00 0.00 31.29 32.92 2b0h h VAL 1920CO 0.17 0.39 0.16 -0.61 -1.23 0.00 0.00 177.57 176.45 2b0h h GLN 1921N 0.00 1.04 -0.02 5.19 4.15 -1.33 0.54 115.11 124.69 2b0h h GLN 1921Ca -0.00 -0.25 0.01 0.00 0.77 0.00 0.00 58.65 59.18 2b0h h GLN 1921Cb 0.84 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 2b0h h GLN 1921CO 0.05 0.93 -0.06 0.93 -1.93 0.00 0.00 178.83 178.76 2b0h h GLU 1922N 0.96 -0.09 -0.17 1.69 5.08 -1.15 -2.63 114.58 118.27 2b0h h GLU 1922Ca 0.21 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2b0h h GLU 1922Cb 0.35 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2b0h h GLU 1922CO 0.00 -0.06 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.76 2b0h h LEU 1923N -0.09 0.26 0.26 1.33 3.38 -1.16 0.53 115.31 119.82 2b0h h LEU 1923Ca 0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2b0h h LEU 1923Cb 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2b0h h LEU 1923CO -0.08 0.41 -0.14 1.23 0.09 0.00 0.00 178.44 179.96 2b0h h GLY 1924N 0.76 -0.39 1.10 0.83 0.00 -0.63 0.38 103.07 105.13 2b0h h GLY 1924Ca 0.05 0.15 -0.13 0.00 0.00 0.00 0.00 47.33 47.40 2b0h h GLY 1924CO 0.02 -0.15 -0.23 0.45 0.00 0.00 0.00 176.54 176.63 2b0h h HIS 1925N -0.37 1.12 -0.65 5.60 3.86 -1.19 -1.80 115.15 121.72 2b0h h HIS 1925Ca -0.03 -0.28 -0.07 0.00 -1.16 0.00 0.00 60.37 58.82 2b0h h HIS 1925Cb 0.30 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 2b0h h HIS 1925CO -0.07 1.10 0.13 0.78 0.86 0.00 0.00 177.93 180.73 2b0h h GLY 1926N 0.81 1.14 0.87 2.45 0.00 -0.81 -1.97 103.07 105.57 2b0h h GLY 1926Ca 0.10 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 2b0h h GLY 1926CO 0.07 0.69 0.07 0.00 0.00 0.00 0.00 176.54 177.37 2b0h h SER 1928N 0.17 0.69 -0.08 0.00 0.87 -1.19 0.17 113.55 114.18 2b0h h SER 1928Ca 0.07 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 2b0h h SER 1928Cb 0.23 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2b0h h SER 1928CO -0.00 0.48 -0.22 0.00 -0.53 0.00 0.00 176.83 176.56 2b0h h ALA 1929N 1.62 0.14 -0.23 6.23 0.00 -1.15 -3.07 119.26 122.80 2b0h h ALA 1929Ca 0.25 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2b0h h ALA 1929Cb 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2b0h h ALA 1929CO -0.06 0.10 0.12 1.25 0.00 0.00 0.00 179.25 180.66 2b0h h LEU 1930N -0.18 0.29 -1.69 0.00 6.46 -0.14 -1.47 115.31 118.58 2b0h h LEU 1930Ca -0.00 -0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.61 2b0h h LEU 1930Cb 0.83 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 2b0h h LEU 1930CO 0.05 0.31 -0.19 -0.37 -0.62 0.00 0.00 178.44 177.62 2b0h h VAL 1931N 0.25 0.91 -0.19 1.05 -1.51 -0.80 0.24 116.25 116.20 2b0h h VAL 1931Ca 0.08 -0.70 -0.19 0.00 -1.23 0.00 0.00 66.70 64.66 2b0h h VAL 1931Cb 0.09 1.40 0.01 0.00 -2.13 0.00 0.00 31.29 30.66 2b0h h VAL 1931CO -0.01 0.18 -0.63 0.74 -1.23 0.00 0.00 177.57 176.63 2b0h h THR 1932N 0.00 1.29 -0.36 7.19 2.02 -1.35 -2.18 112.91 119.53 2b0h h THR 1932Ca -0.00 -1.84 -0.13 0.00 0.77 0.00 0.00 66.41 65.21 2b0h h THR 1932Cb 0.39 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 2b0h h THR 1932CO 0.02 0.58 -0.32 0.11 0.37 0.00 0.00 175.52 176.29 2b0h h LYS 1933N 0.49 0.78 -0.18 6.66 1.79 -0.23 0.71 116.57 126.59 2b0h h LYS 1933Ca -0.02 -0.36 -0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2b0h h LYS 1933Cb 1.25 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.88 2b0h h LYS 1933CO 0.13 0.99 0.11 0.00 -1.08 0.00 0.00 179.45 179.60 2b0h h ALA 1934N 0.98 0.23 -0.61 3.86 0.00 -0.57 0.12 119.26 123.27 2b0h h ALA 1934Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2b0h h ALA 1934Cb 0.85 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2b0h h ALA 1934CO 0.07 -0.27 0.06 0.78 0.00 0.00 0.00 179.25 179.89 2b0h h GLY 1935N 0.22 1.11 0.97 0.00 0.00 -1.28 -1.51 103.07 102.59 2b0h h GLY 1935Ca 0.06 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 2b0h h GLY 1935CO -0.01 0.69 0.25 0.00 0.00 0.00 0.00 176.54 177.47 2b0h h ALA 1936N 1.10 0.63 -0.10 3.60 0.00 -0.52 -1.75 119.26 122.22 2b0h h ALA 1936Ca 0.18 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2b0h h ALA 1936Cb 0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2b0h h ALA 1936CO 0.02 0.18 -0.38 1.25 0.00 0.00 0.00 179.25 180.32 2b0h h LEU 1937N 0.65 0.23 -1.40 0.00 5.85 -0.64 -0.75 115.31 119.24 2b0h h LEU 1937Ca 0.17 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 2b0h h LEU 1937Cb 0.09 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2b0h h LEU 1937CO -0.02 0.59 -0.27 -0.61 -0.34 0.00 0.00 178.44 177.79 2b0h h GLN 1938N 0.19 0.00 0.06 1.25 4.15 -0.80 -1.84 115.11 118.12 2b0h h GLN 1938Ca 0.02 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.17 2b0h h GLN 1938Cb 0.76 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 2b0h h GLN 1938CO 0.06 0.27 -1.35 0.00 -1.93 0.00 0.00 178.83 175.87 2b0h n SER 1940N -3.36 2.53 0.27 0.00 7.64 -0.35 -4.95 113.62 115.41 2b0h n SER 1940Ca -0.10 -3.13 0.14 0.00 1.01 0.00 0.00 58.87 56.78 2b0h n SER 1940Cb 1.01 -0.69 0.78 0.00 -1.01 0.00 0.00 64.21 64.29 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 4.88 0.00 -0.04 1.43 0.11 -1.57 -1.84 132.00 134.97 2b0h h PRO 1941Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2b0h h PRO 1941Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 2b0h h PRO 1941CO 0.69 0.09 0.00 0.43 -0.21 0.00 0.00 178.00 179.00 2b0h n SER 1942N -3.65 1.44 -4.51 -2.05 7.64 -1.26 -4.79 113.62 106.44 2b0h n SER 1942Ca -0.02 -1.51 -0.43 0.00 1.01 0.00 0.00 58.87 57.92 2b0h n SER 1942Cb 0.21 -0.02 -0.08 0.00 -1.01 0.00 0.00 64.21 63.31 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 -1.92 6.28 0.27 6.43 2.15 -0.69 -4.91 116.67 124.28 2b0h s ASP 1943Ca 0.37 -0.44 0.13 0.00 0.43 0.00 0.00 52.55 53.05 2b0h s ASP 1943Cb 0.20 -2.28 0.29 0.00 -0.30 0.00 0.00 42.92 40.83 2b0h s ASP 1943CO 0.32 -0.69 1.55 1.62 -0.17 0.00 0.00 175.17 177.81 2b0h h VAL 1944N 5.80 1.24 -0.21 1.11 3.04 -1.87 -3.14 116.25 122.23 2b0h h VAL 1944Ca -0.26 -2.24 -0.00 0.00 -1.01 0.00 0.00 66.70 63.19 2b0h h VAL 1944Cb 1.10 2.28 -0.01 0.00 -2.01 0.00 0.00 31.29 32.65 2b0h h VAL 1944CO 0.85 0.60 0.12 1.88 -1.01 0.00 0.00 177.57 180.00 2b0h h TYR 1945N 0.00 0.28 -0.92 3.17 -1.99 -1.96 0.19 116.97 115.74 2b0h h TYR 1945Ca -0.01 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 2b0h h TYR 1945Cb 1.23 -0.09 -0.04 0.00 2.00 0.00 0.00 36.73 39.82 2b0h h TYR 1945CO 0.00 0.24 0.53 1.15 -0.00 0.00 0.00 178.16 180.09 2b0h h THR 1946N 0.24 1.26 -0.58 -2.88 2.02 -1.93 -2.28 112.91 108.77 2b0h h THR 1946Ca 0.07 -0.60 -0.09 0.00 0.77 0.00 0.00 66.41 66.56 2b0h h THR 1946Cb 0.05 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.42 2b0h h THR 1946CO -0.01 0.28 0.00 0.50 0.37 0.00 0.00 175.52 176.66 2b0h h LYS 1947N 1.28 1.01 -0.47 6.66 3.64 -1.34 -2.13 116.57 125.23 2b0h h LYS 1947Ca 0.33 -0.32 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2b0h h LYS 1947Cb -0.02 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 2b0h h LYS 1947CO -0.06 1.00 0.23 0.87 -2.27 0.00 0.00 179.45 179.23 2b0h h LYS 1948N 0.90 0.45 -0.42 1.90 1.79 -0.26 -1.52 116.57 119.41 2b0h h LYS 1948Ca 0.16 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.58 2b0h h LYS 1948Cb 0.54 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 2b0h h LYS 1948CO 0.03 0.30 0.14 0.93 -1.08 0.00 0.00 179.45 179.77 2b0h h GLU 1949N 0.46 0.60 -0.05 3.15 5.08 -1.20 0.17 114.58 122.79 2b0h h GLU 1949Ca 0.20 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2b0h h GLU 1949Cb 0.11 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2b0h h GLU 1949CO -0.14 0.52 0.03 1.25 -1.00 0.00 0.00 179.01 179.66 2b0h h LEU 1950N 0.60 0.07 -0.45 1.33 6.46 -0.63 0.24 115.31 122.92 2b0h h LEU 1950Ca 0.14 -0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 2b0h h LEU 1950Cb 0.16 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 2b0h h LEU 1950CO -0.01 0.13 0.15 0.40 -0.62 0.00 0.00 178.44 178.48 2b0h h ILE 1951N 0.00 1.22 -0.04 4.05 5.03 -0.86 -0.60 117.51 126.31 2b0h h ILE 1951Ca 0.02 -0.72 -0.05 0.00 -0.12 0.00 0.00 64.86 63.99 2b0h h ILE 1951Cb 0.07 0.84 -0.01 0.00 -3.03 0.00 0.00 36.82 34.70 2b0h h ILE 1951CO -0.00 0.26 -0.20 -0.33 -0.68 0.00 0.00 178.15 177.20 2b0h h GLU 1952N 0.59 0.07 0.19 2.37 5.08 -0.45 -1.74 114.58 120.68 2b0h h GLU 1952Ca 0.15 -0.02 -0.32 0.00 -1.00 0.00 0.00 59.36 58.17 2b0h h GLU 1952Cb 0.25 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.51 2b0h h GLU 1952CO -0.01 0.27 -1.45 0.00 -1.00 0.00 0.00 179.01 176.82 2b0h h ALA 1954N 0.33 1.06 0.00 0.00 0.00 -0.78 -1.56 119.26 118.31 2b0h h ALA 1954Ca -0.23 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 2b0h h ALA 1954Cb 2.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 2b0h h ALA 1954CO 0.23 0.58 -0.18 0.07 0.00 0.00 0.00 179.25 179.94 2b0h h ARG 1955N 0.64 0.00 -0.06 0.00 0.11 -1.43 -0.25 114.38 113.38 2b0h h ARG 1955Ca 0.11 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.97 2b0h h ARG 1955Cb 0.57 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.66 2b0h h ARG 1955CO 0.04 0.18 -0.81 0.00 0.10 0.00 0.00 179.97 179.47 2b0h h ARG 1956N 0.00 0.66 0.00 0.08 3.08 -1.33 -3.29 114.38 113.58 2b0h h ARG 1956Ca -0.00 -0.63 -0.16 0.00 0.07 0.00 0.00 59.98 59.26 2b0h h ARG 1956Cb 0.49 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 2b0h h ARG 1956CO 0.02 1.23 -0.79 -0.39 -1.07 0.00 0.00 179.97 178.97 2b0h h VAL 1957N 0.31 1.20 0.00 2.04 -1.51 -1.04 -3.23 116.25 114.03 2b0h h VAL 1957Ca -0.08 -2.73 -0.04 0.00 -1.23 0.00 0.00 66.70 62.62 2b0h h VAL 1957Cb 1.47 2.58 -0.01 0.00 -2.13 0.00 0.00 31.29 33.21 2b0h h VAL 1957CO 0.16 0.69 -0.18 0.77 -1.23 0.00 0.00 177.57 177.77 2b0h h SER 1958N 0.00 0.00 1.27 4.19 4.64 -1.14 0.67 113.55 123.18 2b0h h SER 1958Ca -0.02 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.15 2b0h h SER 1958Cb 1.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.64 2b0h h SER 1958CO 0.09 0.18 -0.74 1.05 -0.87 0.00 0.00 176.83 176.55 2b0h h GLU 1959N 0.00 0.00 0.00 4.77 4.11 -1.63 -3.27 114.58 118.56 2b0h h GLU 1959Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.27 2b0h h GLU 1959Cb 0.60 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2b0h h GLU 1959CO 0.02 0.69 -0.76 0.87 0.07 0.00 0.00 179.01 179.91 2b0h h LYS 1960N 0.00 0.00 -0.20 1.06 1.57 -0.98 0.11 116.57 118.14 2b0h h LYS 1960Ca -0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2b0h h LYS 1960Cb 1.55 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.85 2b0h h LYS 1960CO 0.09 0.76 -0.21 -0.39 -0.57 0.00 0.00 179.45 179.13 2b0h h VAL 1961N 0.00 1.24 0.00 0.50 -1.51 -1.15 -1.50 116.25 113.83 2b0h h VAL 1961Ca -0.01 -1.09 -0.07 0.00 -1.23 0.00 0.00 66.70 64.30 2b0h h VAL 1961Cb 1.43 1.31 -0.01 0.00 -2.13 0.00 0.00 31.29 31.89 2b0h h VAL 1961CO 0.10 0.34 -0.36 0.28 -1.23 0.00 0.00 177.57 176.70 2b0h h SER 1962N 0.32 0.00 0.54 4.19 0.02 -1.42 -2.28 113.55 114.92 2b0h h SER 1962Ca 0.05 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.86 2b0h h SER 1962Cb 0.55 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 2b0h h SER 1962CO 0.04 0.36 -0.65 0.45 -1.14 0.00 0.00 176.83 175.89 2b0h h HIS 1963N 0.00 0.13 -0.29 3.45 -0.00 -0.03 0.27 115.15 118.69 2b0h h HIS 1963Ca -0.00 -0.05 -0.04 0.00 -0.00 0.00 0.00 60.37 60.27 2b0h h HIS 1963Cb 0.90 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.28 2b0h h HIS 1963CO 0.00 0.71 0.02 0.28 -0.00 0.00 0.00 177.93 178.94 2b0h h VAL 1964N 0.07 1.25 -0.55 2.45 2.07 -0.98 0.16 116.25 120.71 2b0h h VAL 1964Ca -0.01 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 66.72 2b0h h VAL 1964Cb 1.15 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 2b0h h VAL 1964CO 0.09 0.28 0.20 -0.07 0.02 0.00 0.00 177.57 178.09 2b0h h LEU 1965N 0.29 0.20 -0.35 2.57 3.38 -1.09 -0.22 115.31 120.08 2b0h h LEU 1965Ca 0.08 0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 2b0h h LEU 1965Cb 0.39 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2b0h h LEU 1965CO 0.01 0.13 -0.29 0.00 0.09 0.00 0.00 178.44 178.38 2b0h h ALA 1966N 1.38 0.51 -0.46 1.53 0.00 -0.80 -1.37 119.26 120.05 2b0h h ALA 1966Ca 0.27 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2b0h h ALA 1966Cb 0.32 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2b0h h ALA 1966CO -0.28 0.54 0.26 0.00 0.00 0.00 0.00 179.25 179.77 2b0h h ALA 1967N 0.76 0.59 -0.04 0.00 0.00 -0.19 -0.99 119.26 119.40 2b0h h ALA 1967Ca 0.06 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2b0h h ALA 1967Cb 0.87 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2b0h h ALA 1967CO 0.08 0.11 -0.63 -0.07 0.00 0.00 0.00 179.25 178.73 2b0h h LEU 1968N 0.61 0.19 -1.67 0.00 -0.00 -1.06 -2.70 115.31 110.69 2b0h h LEU 1968Ca 0.16 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 2b0h h LEU 1968Cb 0.04 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 2b0h h LEU 1968CO -0.03 0.77 0.00 0.00 -0.00 0.00 0.00 178.44 179.18 2b0h n GLN 1969N -3.83 2.24 0.08 1.13 6.02 -0.52 -3.54 117.38 118.96 2b0h n GLN 1969Ca -0.02 -1.27 0.13 0.00 -0.01 0.00 0.00 57.00 55.83 2b0h n GLN 1969Cb 0.63 -1.55 0.39 0.00 1.02 0.00 0.00 30.24 30.73 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 0.35 2.42 -0.08 -1.58 0.00 -0.41 -3.82 120.51 117.39 2b0h n ALA 1970Ca 0.11 -0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.30 2b0h n ALA 1970Cb 0.48 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 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 1.34 -0.27 3.28 0.00 0.00 -1.23 -4.89 105.19 103.41 2b0h n GLY 1971Ca 0.05 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2b0h n GLY 1971CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2b0h s ASN 1972N -6.48 5.73 0.00 1.61 -0.87 -1.25 -5.21 114.94 108.47 2b0h s ASN 1972Ca -0.24 -1.55 0.28 0.00 -1.57 0.00 0.00 52.86 49.78 2b0h s ASN 1972Cb 0.09 -2.02 0.99 0.00 -0.02 0.00 0.00 41.25 40.29 2b0h s ASN 1972CO 0.30 -0.59 1.71 0.54 -2.57 0.00 0.00 177.10 176.50