#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 4.39 -0.23 -0.61 1.01 -1.26 -4.95 121.20 119.56 2b0h s ILE 1838Ca 0.00 -1.42 0.02 0.00 0.00 0.00 0.00 60.65 59.24 2b0h s ILE 1838Cb 0.00 -4.94 0.04 0.00 0.01 0.00 0.00 42.46 37.57 2b0h s ILE 1838CO 0.00 -1.74 -0.14 -1.81 0.00 0.00 0.00 174.94 171.25 2b0h s ASP 1839N 4.12 3.89 0.15 3.58 1.11 -1.26 -4.99 116.67 123.27 2b0h s ASP 1839Ca 0.41 -1.04 -0.17 0.00 0.18 0.00 0.00 52.55 51.94 2b0h s ASP 1839Cb -0.02 -1.53 0.03 0.00 1.07 0.00 0.00 42.92 42.46 2b0h s ASP 1839CO -0.07 -0.11 1.78 -0.65 1.18 0.00 0.00 175.17 177.30 2b0h h PRO 1840N 7.87 0.36 -3.98 8.23 0.11 -2.10 -3.45 132.00 139.03 2b0h h PRO 1840Ca -0.32 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.61 2b0h h PRO 1840Cb 1.09 -0.08 -0.10 0.00 0.11 0.00 0.00 31.00 32.02 2b0h h PRO 1840CO 0.55 0.24 -0.23 -0.59 -0.21 0.00 0.00 178.00 177.75 2b0h s PHE 1841N -6.16 0.75 0.00 0.65 -0.71 -1.26 -5.15 117.98 106.10 2b0h s PHE 1841Ca -0.13 -1.04 0.00 0.00 -1.04 0.00 0.00 56.93 54.72 2b0h s PHE 1841Cb 0.11 -0.04 0.00 0.00 -1.21 0.00 0.00 43.02 41.88 2b0h s PHE 1841CO 0.71 -0.98 0.00 0.25 -1.34 0.00 0.00 175.22 173.86 2b0h n THR 1842N -0.42 0.00 0.00 -4.49 -2.24 -1.26 -5.08 114.28 100.79 2b0h n THR 1842Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2b0h n THR 1842Cb 0.63 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.11 0.00 0.00 -0.78 1.56 -1.26 -4.98 117.12 111.55 2b0h n MET 1843Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2b0h n MET 1843Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 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 0.00 0.99 3.57 -5.12 0.00 -1.26 -5.09 105.19 98.28 2b0h n GLY 1844Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2b0h n GLY 1844CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b0h n ASP 1845N 0.00 0.68 0.13 1.61 9.92 -1.26 -4.88 116.55 122.75 2b0h n ASP 1845Ca 0.00 0.99 -0.15 0.00 -0.53 0.00 0.00 54.79 55.10 2b0h n ASP 1845Cb 0.00 -1.29 -0.07 0.00 -0.64 0.00 0.00 41.12 39.11 2b0h n ASP 1845CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2b0h h PRO 1846N 1.28 -0.64 -0.64 -0.24 0.13 -1.98 -1.48 132.00 128.42 2b0h h PRO 1846Ca -0.44 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2b0h h PRO 1846Cb 1.36 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.63 2b0h h PRO 1846CO 0.55 -0.43 0.00 -0.85 -0.23 0.00 0.00 178.00 177.04 2b0h n GLU 1847N -5.47 3.37 -0.29 0.86 0.28 -1.26 -4.28 120.64 113.85 2b0h n GLU 1847Ca -0.08 -2.47 0.04 0.00 -0.16 0.00 0.00 57.16 54.49 2b0h n GLU 1847Cb 0.38 -1.81 -0.01 0.00 1.43 0.00 0.00 31.44 31.43 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 1.03 -1.83 1.83 -1.84 0.00 -0.56 -3.75 105.19 100.07 2b0h n GLY 1848Ca 0.22 -1.30 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.50 5.85 -0.05 1.61 2.88 -1.26 -4.58 113.62 116.58 2b0h n SER 1849Ca 0.00 -3.00 0.24 0.00 -1.33 0.00 0.00 58.87 54.78 2b0h n SER 1849Cb 0.13 -0.98 0.72 0.00 -0.75 0.00 0.00 64.21 63.33 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 1.27 0.00 -0.20 0.66 3.57 -1.89 -1.78 116.94 118.58 2b0h h PHE 1850Ca 0.29 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.85 2b0h h PHE 1850Cb 1.10 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 2b0h h PHE 1850CO 0.79 0.00 0.15 -0.39 -2.23 0.00 0.00 178.31 176.62 2b0h h VAL 1851N 0.00 0.90 0.09 1.41 -1.51 -1.89 0.33 116.25 115.58 2b0h h VAL 1851Ca 0.31 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.77 2b0h h VAL 1851Cb 1.32 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 2b0h h VAL 1851CO -0.00 0.00 -0.04 0.44 -1.23 0.00 0.00 177.57 176.73 2b0h h ASP 1852N 0.00 -0.11 0.19 4.19 3.32 -1.72 -2.07 116.42 120.22 2b0h h ASP 1852Ca 0.10 -0.41 -0.12 0.00 0.02 0.00 0.00 57.03 56.61 2b0h h ASP 1852Cb 0.39 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2b0h h ASP 1852CO -0.00 0.39 -0.46 1.88 -1.72 0.00 0.00 179.24 179.33 2b0h h TYR 1853N -0.63 0.39 0.44 4.55 0.05 -1.59 -2.69 116.97 117.50 2b0h h TYR 1853Ca -0.01 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.64 2b0h h TYR 1853Cb 0.51 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 2b0h h TYR 1853CO 0.08 0.73 -0.43 0.37 -1.05 0.00 0.00 178.16 177.86 2b0h h GLN 1854N 0.27 -0.85 0.00 4.88 4.15 -0.37 -2.08 115.11 121.11 2b0h h GLN 1854Ca 0.02 0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 2b0h h GLN 1854Cb 0.91 0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.79 2b0h h GLN 1854CO 0.08 -0.57 -0.01 1.15 -1.93 0.00 0.00 178.83 177.55 2b0h h THR 1855N -0.88 0.68 0.37 2.39 2.02 -1.31 -2.92 112.91 113.26 2b0h h THR 1855Ca -0.04 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 2b0h h THR 1855Cb 0.78 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2b0h h THR 1855CO -0.06 0.01 -0.18 0.74 0.37 0.00 0.00 175.52 176.40 2b0h h THR 1856N 0.00 0.21 0.00 3.16 2.02 -1.08 -3.24 112.91 113.98 2b0h h THR 1856Ca -0.00 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.49 2b0h h THR 1856Cb 0.03 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2b0h h THR 1856CO 0.00 0.05 0.00 0.00 0.37 0.00 0.00 175.52 175.94 2b0h h MET 1857N -1.07 0.00 -0.25 6.66 -0.00 -1.33 -1.64 114.93 117.30 2b0h h MET 1857Ca -0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.56 2b0h h MET 1857Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.05 2b0h h MET 1857CO 0.08 0.00 -0.21 -0.39 -0.00 0.00 0.00 176.91 176.39 2b0h h VAL 1858N 0.00 1.25 -0.20 -0.10 -1.51 -1.64 0.12 116.25 114.16 2b0h h VAL 1858Ca 0.00 -1.17 -0.09 0.00 -1.23 0.00 0.00 66.70 64.21 2b0h h VAL 1858Cb 0.80 1.29 -0.00 0.00 -2.13 0.00 0.00 31.29 31.24 2b0h h VAL 1858CO 0.00 0.37 -0.22 0.03 -1.23 0.00 0.00 177.57 176.52 2b0h h ARG 1859N 0.41 0.50 -0.82 5.19 2.47 -1.35 -2.11 114.38 118.67 2b0h h ARG 1859Ca 0.07 -0.27 -0.01 0.00 -1.26 0.00 0.00 59.98 58.50 2b0h h ARG 1859Cb 0.60 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.89 2b0h h ARG 1859CO 0.04 0.86 0.46 1.15 0.56 0.00 0.00 179.97 183.04 2b0h h THR 1860N 0.17 1.24 -0.63 2.04 2.02 -1.18 -0.36 112.91 116.21 2b0h h THR 1860Ca 0.03 -0.58 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 2b0h h THR 1860Cb 0.77 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 2b0h h THR 1860CO 0.05 0.26 0.26 0.00 0.37 0.00 0.00 175.52 176.46 2b0h h ALA 1861N 1.25 0.82 -0.54 6.16 0.00 -0.73 0.06 119.26 126.27 2b0h h ALA 1861Ca 0.29 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2b0h h ALA 1861Cb 0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2b0h h ALA 1861CO -0.05 0.43 0.20 0.87 0.00 0.00 0.00 179.25 180.70 2b0h h LYS 1862N 0.88 0.79 -0.31 0.00 1.57 -0.90 0.48 116.57 119.08 2b0h h LYS 1862Ca 0.21 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2b0h h LYS 1862Cb 0.20 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2b0h h LYS 1862CO -0.02 0.67 -0.02 0.00 -0.57 0.00 0.00 179.45 179.51 2b0h h ALA 1863N 1.44 0.43 -0.70 3.86 0.00 -0.46 -1.45 119.26 122.38 2b0h h ALA 1863Ca 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2b0h h ALA 1863Cb 0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2b0h h ALA 1863CO -0.01 0.20 0.44 0.82 0.00 0.00 0.00 179.25 180.70 2b0h h ILE 1864N 0.36 1.19 -0.96 0.00 2.04 -0.62 0.38 117.51 119.90 2b0h h ILE 1864Ca 0.09 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.55 2b0h h ILE 1864Cb 0.48 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 2b0h h ILE 1864CO 0.02 0.20 0.63 0.00 0.00 0.00 0.00 178.15 179.00 2b0h h ALA 1865N 1.23 1.22 0.00 1.87 0.00 -0.66 0.25 119.26 123.18 2b0h h ALA 1865Ca 0.25 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 2b0h h ALA 1865Cb -0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.31 2b0h h ALA 1865CO -0.05 0.62 -0.89 -0.24 0.00 0.00 0.00 179.25 178.69 2b0h h VAL 1866N 1.31 1.62 0.07 0.00 3.04 -0.97 -2.28 116.25 119.04 2b0h h VAL 1866Ca 0.35 -3.09 -0.00 0.00 -1.01 0.00 0.00 66.70 62.95 2b0h h VAL 1866Cb -0.14 2.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 2b0h h VAL 1866CO -0.07 0.88 -0.04 0.74 -1.01 0.00 0.00 177.57 178.07 2b0h h THR 1867N 0.00 1.09 -0.50 3.17 2.02 -0.24 -0.98 112.91 117.47 2b0h h THR 1867Ca -0.01 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 2b0h h THR 1867Cb 1.61 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 69.47 2b0h h THR 1867CO 0.12 0.15 0.15 -0.37 0.37 0.00 0.00 175.52 175.93 2b0h h VAL 1868N -0.37 1.21 -0.01 3.16 -1.51 -0.56 -1.18 116.25 116.98 2b0h h VAL 1868Ca -0.01 -0.71 -0.14 0.00 -1.23 0.00 0.00 66.70 64.61 2b0h h VAL 1868Cb 0.32 0.67 -0.02 0.00 -2.13 0.00 0.00 31.29 30.13 2b0h h VAL 1868CO 0.02 0.27 -0.63 0.06 -1.23 0.00 0.00 177.57 176.05 2b0h h GLN 1869N 0.73 0.05 -0.56 5.19 3.07 -1.38 -2.44 115.11 119.76 2b0h h GLN 1869Ca 0.17 -0.04 -0.00 0.00 0.09 0.00 0.00 58.65 58.87 2b0h h GLN 1869Cb 0.23 0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.77 2b0h h GLN 1869CO -0.01 0.66 0.33 0.93 0.09 0.00 0.00 178.83 180.84 2b0h h GLU 1870N 0.03 0.76 -0.72 0.06 5.08 -0.18 -2.08 114.58 117.53 2b0h h GLU 1870Ca -0.01 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2b0h h GLU 1870Cb 1.12 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 2b0h h GLU 1870CO 0.09 0.56 0.44 0.52 -1.00 0.00 0.00 179.01 179.61 2b0h h MET 1871N 0.75 0.81 0.00 2.33 2.86 -0.79 0.60 114.93 121.49 2b0h h MET 1871Ca 0.20 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.71 2b0h h MET 1871Cb -0.01 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 2b0h h MET 1871CO -0.04 0.53 -0.41 -0.39 1.06 0.00 0.00 176.91 177.66 2b0h h VAL 1872N 0.83 1.21 0.05 -2.22 -1.51 -1.34 -2.49 116.25 110.77 2b0h h VAL 1872Ca 0.30 -1.46 -0.13 0.00 -1.23 0.00 0.00 66.70 64.18 2b0h h VAL 1872Cb 0.08 1.81 0.01 0.00 -2.13 0.00 0.00 31.29 31.06 2b0h h VAL 1872CO -0.14 0.41 -0.53 0.74 -1.23 0.00 0.00 177.57 176.82 2b0h h THR 1873N 0.00 1.53 -0.09 7.19 2.02 -0.36 -3.33 112.91 119.88 2b0h h THR 1873Ca -0.00 -2.25 -0.09 0.00 0.77 0.00 0.00 66.41 64.84 2b0h h THR 1873Cb 0.77 2.95 -0.01 0.00 -1.74 0.00 0.00 68.15 70.12 2b0h h THR 1873CO 0.05 0.63 -0.34 0.11 0.37 0.00 0.00 175.52 176.35 2b0h h LYS 1874N -0.39 0.17 0.00 6.66 1.79 0.18 -2.74 116.57 122.24 2b0h h LYS 1874Ca -0.08 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 2b0h h LYS 1874Cb 1.33 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 2b0h h LYS 1874CO 0.10 0.49 0.00 0.43 -1.08 0.00 0.00 179.45 179.39 2b0h n SER 1875N -4.10 0.00 0.07 0.86 7.64 -0.95 0.13 113.62 117.28 2b0h n SER 1875Ca -0.01 0.22 0.04 0.00 1.01 0.00 0.00 58.87 60.13 2b0h n SER 1875Cb 0.41 -0.29 -0.04 0.00 -1.01 0.00 0.00 64.21 63.28 2b0h n SER 1875CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2b0h h ASN 1876N 0.00 0.00 0.00 6.43 -0.26 -1.67 -3.44 115.58 116.64 2b0h h ASN 1876Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2b0h h ASN 1876Cb 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 2b0h h ASN 1876CO 0.00 0.38 -0.16 0.35 -1.06 0.00 0.00 177.43 176.94 2b0h n THR 1877N -2.88 0.00 -3.69 2.81 -2.24 -0.16 -5.01 114.28 103.11 2b0h n THR 1877Ca -0.05 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.36 2b0h n THR 1877Cb 0.73 -0.27 -0.09 0.00 -2.10 0.00 0.00 70.33 68.60 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 -3.78 5.37 -0.09 3.42 0.01 0.35 -4.89 113.70 114.09 2b0h s SER 1878Ca 0.00 -2.82 0.13 0.00 1.31 0.00 0.00 55.95 54.57 2b0h s SER 1878Cb 0.00 -1.88 0.53 0.00 0.21 0.00 0.00 66.02 64.87 2b0h s SER 1878CO 0.00 -0.39 1.38 -0.81 0.41 0.00 0.00 173.24 173.83 2b0h n PRO 1879N 3.56 3.06 -0.00 12.44 -0.04 -1.25 -3.99 135.00 148.78 2b0h n PRO 1879Ca 0.08 -2.07 0.05 0.00 -0.04 0.00 0.00 63.50 61.51 2b0h n PRO 1879Cb 0.39 -1.76 -0.07 0.00 -0.04 0.00 0.00 33.50 32.02 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 0.71 1.12 0.01 0.54 0.28 -1.26 -4.10 120.64 117.93 2b0h n GLU 1880Ca 0.19 -0.07 0.12 0.00 -0.16 0.00 0.00 57.16 57.24 2b0h n GLU 1880Cb 0.70 -1.16 0.20 0.00 1.43 0.00 0.00 31.44 32.61 2b0h n GLU 1880CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2b0h n GLU 1881N -1.69 0.05 0.21 3.44 0.28 -1.26 -4.22 120.64 117.46 2b0h n GLU 1881Ca -0.01 0.01 0.08 0.00 -0.16 0.00 0.00 57.16 57.08 2b0h n GLU 1881Cb 0.23 -1.53 0.62 0.00 1.43 0.00 0.00 31.44 32.19 2b0h n GLU 1881CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2b0h h LEU 1882N 0.00 0.05 0.66 -1.84 3.38 -1.79 -2.20 115.31 113.57 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 0.54 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2b0h h LEU 1882CO 0.00 0.04 -0.47 1.23 0.09 0.00 0.00 178.44 179.33 2b0h h GLY 1883N 0.06 -1.27 -0.03 0.83 0.00 -1.85 0.31 103.07 101.13 2b0h h GLY 1883Ca 0.04 0.54 0.17 0.00 0.00 0.00 0.00 47.33 48.08 2b0h h GLY 1883CO -0.00 -0.41 0.30 -2.55 0.00 0.00 0.00 176.54 173.88 2b0h h PRO 1884N -1.07 0.38 -0.84 4.80 0.11 -1.81 -0.94 132.00 132.63 2b0h h PRO 1884Ca -0.09 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2b0h h PRO 1884Cb 0.88 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.86 2b0h h PRO 1884CO 0.05 0.25 0.53 -0.07 -0.21 0.00 0.00 178.00 178.55 2b0h h LEU 1885N 0.39 0.99 -0.61 2.35 3.38 -1.01 0.46 115.31 121.27 2b0h h LEU 1885Ca 0.47 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.33 2b0h h LEU 1885Cb 0.79 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2b0h h LEU 1885CO -0.48 0.75 0.18 0.00 0.09 0.00 0.00 178.44 178.98 2b0h h ALA 1886N 1.29 0.80 -0.70 1.53 0.00 0.45 0.09 119.26 122.72 2b0h h ALA 1886Ca 0.30 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2b0h h ALA 1886Cb -0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 2b0h h ALA 1886CO -0.06 0.48 0.22 -0.97 0.00 0.00 0.00 179.25 178.93 2b0h h ASN 1887N 0.88 1.00 -0.05 0.00 -1.24 -0.50 -1.31 115.58 114.35 2b0h h ASN 1887Ca 0.19 -0.18 -0.00 0.00 0.71 0.00 0.00 56.30 57.03 2b0h h ASN 1887Cb 0.31 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.10 2b0h h ASN 1887CO -0.00 0.92 0.03 -0.61 -1.29 0.00 0.00 177.43 176.48 2b0h h GLN 1888N 1.03 0.07 -0.20 6.67 5.75 0.42 0.19 115.11 129.05 2b0h h GLN 1888Ca 0.23 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.76 2b0h h GLN 1888Cb 0.28 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 2b0h h GLN 1888CO -0.01 0.11 -0.04 1.25 -2.65 0.00 0.00 178.83 177.49 2b0h h LEU 1889N 0.01 -0.16 -1.25 -2.39 6.46 -0.84 -1.90 115.31 115.25 2b0h h LEU 1889Ca 0.02 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.90 2b0h h LEU 1889Cb 0.06 0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.05 2b0h h LEU 1889CO -0.00 -0.05 0.54 0.74 -0.62 0.00 0.00 178.44 179.05 2b0h h THR 1890N 0.02 1.04 -0.25 1.05 2.02 -0.89 -1.69 112.91 114.21 2b0h h THR 1890Ca 0.10 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 2b0h h THR 1890Cb 0.14 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 2b0h h THR 1890CO -0.20 0.17 -0.05 0.28 0.37 0.00 0.00 175.52 176.09 2b0h h SER 1891N 0.91 0.48 1.26 4.18 0.02 0.12 -3.16 113.55 117.37 2b0h h SER 1891Ca 0.36 -0.36 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2b0h h SER 1891Cb 0.23 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2b0h h SER 1891CO -0.13 0.73 -0.46 0.44 -1.14 0.00 0.00 176.83 176.28 2b0h h ASP 1892N 0.23 0.00 -0.96 3.07 3.32 -1.01 -2.94 116.42 118.13 2b0h h ASP 1892Ca 0.06 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.12 2b0h h ASP 1892Cb 0.52 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 2b0h h ASP 1892CO 0.02 0.46 0.64 0.22 -1.72 0.00 0.00 179.24 178.86 2b0h h TYR 1893N 0.00 1.21 -0.59 4.55 3.20 -1.30 -0.85 116.97 123.19 2b0h h TYR 1893Ca -0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2b0h h TYR 1893Cb 1.21 -0.41 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 2b0h h TYR 1893CO 0.00 0.76 0.36 0.78 -1.64 0.00 0.00 178.16 178.42 2b0h h GLY 1894N 1.30 0.84 0.81 1.82 0.00 -1.48 0.27 103.07 106.63 2b0h h GLY 1894Ca 0.35 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 2b0h h GLY 1894CO -0.08 0.32 -0.08 -0.09 0.00 0.00 0.00 176.54 176.62 2b0h h ARG 1895N 0.80 0.42 0.69 4.80 2.43 -1.38 -3.03 114.38 119.11 2b0h h ARG 1895Ca 0.21 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2b0h h ARG 1895Cb -0.04 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2b0h h ARG 1895CO -0.04 0.69 -0.35 1.25 -1.51 0.00 0.00 179.97 180.01 2b0h h LEU 1896N 0.13 -0.84 -1.96 3.80 5.85 -0.51 -3.08 115.31 118.70 2b0h h LEU 1896Ca 0.05 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2b0h h LEU 1896Cb 0.55 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2b0h h LEU 1896CO 0.03 -0.58 -0.10 0.00 -0.34 0.00 0.00 178.44 177.44 2b0h h ALA 1897N -0.65 1.27 0.03 1.25 0.00 -1.06 -2.71 119.26 117.39 2b0h h ALA 1897Ca -0.09 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.50 2b0h h ALA 1897Cb 0.74 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2b0h h ALA 1897CO 0.14 0.13 -1.07 0.77 0.00 0.00 0.00 179.25 179.22 2b0h h SER 1898N 0.00 0.10 0.60 0.00 0.02 -1.45 -3.03 113.55 109.78 2b0h h SER 1898Ca -0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2b0h h SER 1898Cb 0.31 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2b0h h SER 1898CO 0.01 1.08 0.00 0.00 -1.14 0.00 0.00 176.83 176.79 2b0h n GLN 1899N -3.39 0.36 0.12 3.45 1.13 -1.02 -2.87 117.38 115.16 2b0h n GLN 1899Ca -0.02 0.01 -0.02 0.00 -1.94 0.00 0.00 57.00 55.03 2b0h n GLN 1899Cb 0.96 -1.50 0.16 0.00 0.11 0.00 0.00 30.24 29.97 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 3.32 0.95 0.74 -1.58 0.00 -1.54 -2.99 119.26 118.15 2b0h h ALA 1900Ca 0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2b0h h ALA 1900Cb 0.30 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2b0h h ALA 1900CO 0.00 0.75 -0.35 -0.22 0.00 0.00 0.00 179.25 179.43 2b0h h LYS 1901N 0.05 -0.95 0.00 0.00 1.63 -1.68 -0.45 116.57 115.17 2b0h h LYS 1901Ca -0.01 0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 2b0h h LYS 1901Cb 1.09 0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 32.93 2b0h h LYS 1901CO 0.08 -0.61 -0.13 -1.00 -3.45 0.00 0.00 179.45 174.34 2b0h h PRO 1902N -1.11 0.00 0.02 1.90 0.13 -1.75 -2.79 132.00 128.40 2b0h h PRO 1902Ca -0.10 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.76 2b0h h PRO 1902Cb 0.78 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.93 2b0h h PRO 1902CO 0.17 0.13 -1.07 0.00 -0.23 0.00 0.00 178.00 176.99 2b0h h ALA 1903N 1.87 0.13 -0.03 -0.56 0.00 -1.43 -2.67 119.26 116.56 2b0h h ALA 1903Ca -0.00 -0.71 -0.15 0.00 0.00 0.00 0.00 54.91 54.05 2b0h h ALA 1903Cb 0.54 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2b0h h ALA 1903CO 0.02 0.70 -0.65 0.00 0.00 0.00 0.00 179.25 179.32 2b0h h ALA 1904N 0.42 0.84 0.00 0.00 0.00 -0.84 -0.27 119.26 119.41 2b0h h ALA 1904Ca -0.14 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 2b0h h ALA 1904Cb 1.73 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 2b0h h ALA 1904CO 0.21 0.78 -0.35 -0.39 0.00 0.00 0.00 179.25 179.50 2b0h h VAL 1905N 0.10 0.18 0.22 0.00 -1.51 -1.58 -3.28 116.25 110.38 2b0h h VAL 1905Ca -0.01 -1.27 -0.34 0.00 -1.23 0.00 0.00 66.70 63.85 2b0h h VAL 1905Cb 1.17 1.98 0.03 0.00 -2.13 0.00 0.00 31.29 32.34 2b0h h VAL 1905CO 0.09 0.10 -1.59 0.00 -1.23 0.00 0.00 177.57 174.95 2b0h h ALA 1906N 1.88 -0.02 -2.20 5.19 0.00 -1.17 -3.45 119.26 119.49 2b0h h ALA 1906Ca -0.01 -0.98 -0.55 0.00 0.00 0.00 0.00 54.91 53.37 2b0h h ALA 1906Cb 1.10 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2b0h h ALA 1906CO 0.01 0.84 1.19 0.00 0.00 0.00 0.00 179.25 181.30 2b0h s ALA 1907N -2.59 3.41 0.19 0.00 0.00 -0.14 -3.14 121.76 119.49 2b0h s ALA 1907Ca -0.12 0.92 -0.09 0.00 0.00 0.00 0.00 51.96 52.67 2b0h s ALA 1907Cb 0.05 -3.84 0.09 0.00 0.00 0.00 0.00 23.12 19.41 2b0h s ALA 1907CO 0.91 -1.76 1.67 1.05 0.00 0.00 0.00 175.76 177.64 2b0h h GLU 1908N 10.82 1.09 -6.45 0.00 4.11 -1.78 -3.43 114.58 118.95 2b0h h GLU 1908Ca -0.41 -0.30 -0.54 0.00 0.07 0.00 0.00 59.36 58.18 2b0h h GLU 1908Cb 1.20 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2b0h h GLU 1908CO 0.96 1.02 0.59 1.21 0.07 0.00 0.00 179.01 182.85 2b0h s ASN 1909N -6.49 7.08 0.20 3.06 3.84 -1.26 -4.93 114.94 116.43 2b0h s ASN 1909Ca -0.12 1.98 -0.15 0.00 0.21 0.00 0.00 52.86 54.78 2b0h s ASN 1909Cb 0.14 -2.57 0.21 0.00 -0.55 0.00 0.00 41.25 38.47 2b0h s ASN 1909CO 0.85 -0.49 1.63 -0.08 -2.79 0.00 0.00 177.10 176.22 2b0h h GLU 1910N 6.95 -0.02 -0.06 0.43 4.81 -1.96 -2.73 114.58 121.99 2b0h h GLU 1910Ca -0.40 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.71 2b0h h GLU 1910Cb 1.20 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2b0h h GLU 1910CO 0.82 -0.02 -0.49 0.93 -0.73 0.00 0.00 179.01 179.53 2b0h h GLU 1911N -0.02 0.16 0.12 1.92 5.08 -1.95 -2.35 114.58 117.53 2b0h h GLU 1911Ca 0.28 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2b0h h GLU 1911Cb 0.45 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2b0h h GLU 1911CO -0.62 0.62 -0.26 0.82 -1.00 0.00 0.00 179.01 178.56 2b0h h ILE 1912N 0.13 0.42 -0.04 3.13 2.04 -1.79 0.36 117.51 121.76 2b0h h ILE 1912Ca 0.00 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.70 2b0h h ILE 1912Cb 0.91 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2b0h h ILE 1912CO 0.07 0.00 -0.70 1.23 0.00 0.00 0.00 178.15 178.75 2b0h h GLY 1913N -0.47 0.25 1.02 5.37 0.00 -1.64 -2.98 103.07 104.63 2b0h h GLY 1913Ca 0.03 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 2b0h h GLY 1913CO -0.15 0.32 0.01 0.00 0.00 0.00 0.00 176.54 176.72 2b0h h ALA 1914N 1.11 0.70 0.04 3.60 0.00 -0.96 -1.87 119.26 121.88 2b0h h ALA 1914Ca -0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2b0h h ALA 1914Cb 1.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2b0h h ALA 1914CO 0.11 0.51 -0.02 0.45 0.00 0.00 0.00 179.25 180.30 2b0h h HIS 1915N 0.79 -0.06 -0.28 0.00 3.86 -0.27 0.62 115.15 119.81 2b0h h HIS 1915Ca 0.15 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.42 2b0h h HIS 1915Cb 0.51 0.02 -0.07 0.00 1.06 0.00 0.00 27.41 28.93 2b0h h HIS 1915CO 0.04 -0.02 -0.25 0.82 0.86 0.00 0.00 177.93 179.38 2b0h h ILE 1916N -0.08 0.37 -0.51 2.45 2.04 -1.38 0.02 117.51 120.42 2b0h h ILE 1916Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 2b0h h ILE 1916Cb 0.06 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 2b0h h ILE 1916CO 0.01 0.00 0.14 0.11 0.00 0.00 0.00 178.15 178.41 2b0h h LYS 1917N -0.24 0.77 -0.04 2.37 1.57 -1.13 -0.21 116.57 119.67 2b0h h LYS 1917Ca 0.15 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2b0h h LYS 1917Cb 0.47 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2b0h h LYS 1917CO -0.41 0.69 -0.44 0.45 -0.57 0.00 0.00 179.45 179.16 2b0h h HIS 1918N 0.75 0.10 0.18 -1.35 3.86 -0.03 -1.24 115.15 117.42 2b0h h HIS 1918Ca 0.17 -0.03 -0.32 0.00 -1.16 0.00 0.00 60.37 59.04 2b0h h HIS 1918Cb 0.25 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 28.72 2b0h h HIS 1918CO 0.01 0.51 -1.47 0.00 0.86 0.00 0.00 177.93 177.84 2b0h h ARG 1919N 0.07 0.38 0.00 2.45 2.47 -0.28 -2.59 114.38 116.87 2b0h h ARG 1919Ca 0.00 -0.65 -0.06 0.00 -1.26 0.00 0.00 59.98 58.01 2b0h h ARG 1919Cb 0.82 0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 29.37 2b0h h ARG 1919CO 0.06 1.29 -0.31 -0.39 0.56 0.00 0.00 179.97 181.19 2b0h h VAL 1920N 0.10 0.95 0.30 2.04 -1.51 -1.04 -1.48 116.25 115.62 2b0h h VAL 1920Ca -0.24 -1.17 -0.01 0.00 -1.23 0.00 0.00 66.70 64.06 2b0h h VAL 1920Cb 2.07 1.68 -0.01 0.00 -2.13 0.00 0.00 31.29 32.91 2b0h h VAL 1920CO 0.22 0.30 -0.21 1.56 -1.23 0.00 0.00 177.57 178.20 2b0h h GLN 1921N 0.00 -0.49 -0.98 5.19 4.20 -1.19 0.85 115.11 122.68 2b0h h GLN 1921Ca -0.00 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.82 2b0h h GLN 1921Cb 0.66 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.48 2b0h h GLN 1921CO 0.04 -0.33 0.63 0.93 -0.67 0.00 0.00 178.83 179.43 2b0h h GLU 1922N -0.51 1.07 0.00 1.46 4.39 -1.03 -0.59 114.58 119.37 2b0h h GLU 1922Ca -0.02 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.51 2b0h h GLU 1922Cb 0.44 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2b0h h GLU 1922CO 0.01 0.71 -0.50 -0.07 -1.16 0.00 0.00 179.01 177.99 2b0h h LEU 1923N 1.10 0.00 0.69 1.33 3.38 -1.13 -0.43 115.31 120.24 2b0h h LEU 1923Ca 0.44 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.38 2b0h h LEU 1923Cb 0.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.01 2b0h h LEU 1923CO -0.20 0.50 -0.33 1.23 0.09 0.00 0.00 178.44 179.73 2b0h h GLY 1924N 2.10 -0.96 2.00 0.83 0.00 0.81 0.12 103.07 107.97 2b0h h GLY 1924Ca -0.01 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2b0h h GLY 1924CO 0.07 -0.35 0.00 1.12 0.00 0.00 0.00 176.54 177.38 2b0h h HIS 1925N -1.03 0.00 0.00 5.60 2.07 -1.58 -3.14 115.15 117.07 2b0h h HIS 1925Ca -0.09 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.39 2b0h h HIS 1925Cb 0.73 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.72 2b0h h HIS 1925CO -0.01 0.00 -0.13 0.78 -3.07 0.00 0.00 177.93 175.50 2b0h h GLY 1926N 3.84 0.10 1.77 6.13 0.00 -0.93 -3.28 103.07 110.70 2b0h h GLY 1926Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 2b0h h GLY 1926CO 0.00 0.16 -0.41 0.00 0.00 0.00 0.00 176.54 176.28 2b0h h SER 1928N 0.22 0.00 0.06 0.00 4.64 -1.66 -0.20 113.55 116.60 2b0h h SER 1928Ca 0.02 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.16 2b0h h SER 1928Cb 0.83 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.94 2b0h h SER 1928CO 0.07 0.07 -0.74 0.00 -0.87 0.00 0.00 176.83 175.36 2b0h h ALA 1929N 1.93 0.01 -0.18 5.18 0.00 -1.49 -3.16 119.26 121.54 2b0h h ALA 1929Ca -0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 2b0h h ALA 1929Cb 0.26 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2b0h h ALA 1929CO 0.01 0.40 0.08 1.25 0.00 0.00 0.00 179.25 180.99 2b0h h LEU 1930N -0.14 0.24 -1.63 0.00 6.46 -1.14 -1.55 115.31 117.54 2b0h h LEU 1930Ca -0.11 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.48 2b0h h LEU 1930Cb 1.49 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.35 2b0h h LEU 1930CO 0.14 0.31 -0.10 -0.37 -0.62 0.00 0.00 178.44 177.80 2b0h h VAL 1931N 0.15 1.12 -0.20 1.05 -1.51 -1.20 0.25 116.25 115.91 2b0h h VAL 1931Ca 0.06 -0.52 -0.14 0.00 -1.23 0.00 0.00 66.70 64.87 2b0h h VAL 1931Cb 0.14 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 2b0h h VAL 1931CO -0.01 0.16 -0.43 0.74 -1.23 0.00 0.00 177.57 176.81 2b0h h THR 1932N 0.10 1.32 -0.37 7.19 2.02 -1.46 -2.29 112.91 119.43 2b0h h THR 1932Ca 0.02 -1.65 -0.10 0.00 0.77 0.00 0.00 66.41 65.45 2b0h h THR 1932Cb 0.25 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 2b0h h THR 1932CO 0.02 0.52 -0.18 0.11 0.37 0.00 0.00 175.52 176.35 2b0h h LYS 1933N 0.33 0.69 0.07 6.66 1.79 -0.29 0.72 116.57 126.54 2b0h h LYS 1933Ca 0.00 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 2b0h h LYS 1933Cb 1.03 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.63 2b0h h LYS 1933CO 0.09 0.83 -0.07 0.00 -1.08 0.00 0.00 179.45 179.23 2b0h h ALA 1934N 1.19 -0.13 -0.57 3.86 0.00 -0.54 0.17 119.26 123.25 2b0h h ALA 1934Ca 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2b0h h ALA 1934Cb 0.64 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2b0h h ALA 1934CO 0.05 -0.58 0.17 0.78 0.00 0.00 0.00 179.25 179.66 2b0h h GLY 1935N -0.15 0.91 0.81 0.00 0.00 -1.18 0.51 103.07 103.97 2b0h h GLY 1935Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 2b0h h GLY 1935CO -0.02 0.47 0.01 0.00 0.00 0.00 0.00 176.54 177.01 2b0h h ALA 1936N 1.36 0.23 -0.12 3.60 0.00 -0.52 -1.43 119.26 122.39 2b0h h ALA 1936Ca 0.19 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2b0h h ALA 1936Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2b0h h ALA 1936CO -0.01 -0.08 -0.32 1.25 0.00 0.00 0.00 179.25 180.09 2b0h h LEU 1937N 0.06 0.23 -1.25 0.00 5.85 -0.52 -0.01 115.31 119.67 2b0h h LEU 1937Ca 0.05 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 2b0h h LEU 1937Cb 0.35 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2b0h h LEU 1937CO 0.01 0.54 -0.30 -0.61 -0.34 0.00 0.00 178.44 177.74 2b0h h GLN 1938N 0.20 0.12 0.00 1.25 4.15 -0.64 -0.66 115.11 119.52 2b0h h GLN 1938Ca 0.03 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 2b0h h GLN 1938Cb 0.67 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 2b0h h GLN 1938CO 0.05 0.41 -0.81 0.00 -1.93 0.00 0.00 178.83 176.55 2b0h n SER 1940N -2.90 -0.30 0.13 0.00 7.64 -0.06 -4.96 113.62 113.16 2b0h n SER 1940Ca -0.01 -2.42 0.12 0.00 1.01 0.00 0.00 58.87 57.56 2b0h n SER 1940Cb 0.64 -0.56 0.49 0.00 -1.01 0.00 0.00 64.21 63.77 2b0h n SER 1940CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2b0h n PRO 1941N 2.75 0.19 0.00 1.43 -0.04 -0.31 -2.08 135.00 136.94 2b0h n PRO 1941Ca 0.29 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 64.31 2b0h n PRO 1941Cb 0.47 -1.86 0.38 0.00 -0.04 0.00 0.00 33.50 32.45 2b0h n PRO 1941CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2b0h n SER 1942N -2.22 0.33 -4.57 3.54 7.64 -1.26 -4.74 113.62 112.34 2b0h n SER 1942Ca 0.02 0.04 -0.43 0.00 1.01 0.00 0.00 58.87 59.51 2b0h n SER 1942Cb 0.22 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.35 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 -3.05 6.52 0.17 6.43 -1.08 -0.88 -4.90 116.67 119.87 2b0h s ASP 1943Ca 0.12 0.17 0.03 0.00 -0.52 0.00 0.00 52.55 52.35 2b0h s ASP 1943Cb 0.18 -2.46 0.02 0.00 -1.46 0.00 0.00 42.92 39.20 2b0h s ASP 1943CO 0.64 -1.06 1.40 1.62 0.52 0.00 0.00 175.17 178.29 2b0h h VAL 1944N 6.08 1.49 -0.16 1.11 3.04 -1.88 -3.11 116.25 122.82 2b0h h VAL 1944Ca -0.24 -2.56 -0.17 0.00 -1.01 0.00 0.00 66.70 62.72 2b0h h VAL 1944Cb 1.07 2.42 -0.00 0.00 -2.01 0.00 0.00 31.29 32.77 2b0h h VAL 1944CO 1.03 0.75 -0.62 1.88 -1.01 0.00 0.00 177.57 179.60 2b0h h TYR 1945N 0.11 0.71 -0.90 3.17 0.05 -1.98 0.17 116.97 118.31 2b0h h TYR 1945Ca -0.04 -0.27 -0.00 0.00 0.05 0.00 0.00 58.73 58.47 2b0h h TYR 1945Cb 1.46 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 39.03 2b0h h TYR 1945CO 0.03 1.02 0.56 1.15 -1.05 0.00 0.00 178.16 179.87 2b0h h THR 1946N 0.41 1.24 -0.36 -2.88 2.02 -1.94 -2.51 112.91 108.89 2b0h h THR 1946Ca -0.01 -0.51 -0.10 0.00 0.77 0.00 0.00 66.41 66.56 2b0h h THR 1946Cb 1.18 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2b0h h THR 1946CO 0.12 0.25 -0.17 0.50 0.37 0.00 0.00 175.52 176.58 2b0h h LYS 1947N 1.24 0.75 0.00 6.66 3.64 -1.29 -2.50 116.57 125.06 2b0h h LYS 1947Ca 0.33 -0.33 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2b0h h LYS 1947Cb -0.08 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.68 2b0h h LYS 1947CO -0.06 0.94 -0.27 0.87 -2.27 0.00 0.00 179.45 178.66 2b0h h LYS 1948N 0.54 -0.39 0.00 1.90 1.79 -0.36 -1.13 116.57 118.91 2b0h h LYS 1948Ca 0.08 0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.55 2b0h h LYS 1948Cb 0.71 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2b0h h LYS 1948CO 0.05 -0.26 -0.15 0.93 -1.08 0.00 0.00 179.45 178.94 2b0h h GLU 1949N -0.41 0.00 0.06 3.15 4.39 -1.48 0.44 114.58 120.73 2b0h h GLU 1949Ca 0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2b0h h GLU 1949Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2b0h h GLU 1949CO -0.23 0.15 -0.03 1.25 -1.16 0.00 0.00 179.01 178.99 2b0h h LEU 1950N 0.00 -0.07 -0.10 1.33 6.46 -0.77 0.46 115.31 122.62 2b0h h LEU 1950Ca -0.00 -0.25 -0.00 0.00 -0.12 0.00 0.00 57.88 57.51 2b0h h LEU 1950Cb 0.38 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.32 2b0h h LEU 1950CO 0.02 0.21 0.05 0.40 -0.62 0.00 0.00 178.44 178.51 2b0h h ILE 1951N -0.35 1.10 -0.42 4.05 5.03 -0.82 -2.33 117.51 123.77 2b0h h ILE 1951Ca -0.01 -0.28 0.01 0.00 -0.12 0.00 0.00 64.86 64.46 2b0h h ILE 1951Cb 0.31 1.10 -0.03 0.00 -3.03 0.00 0.00 36.82 35.18 2b0h h ILE 1951CO 0.01 0.09 0.26 -0.33 -0.68 0.00 0.00 178.15 177.50 2b0h h GLU 1952N 0.06 0.52 -0.89 2.37 4.39 -0.89 -2.41 114.58 117.72 2b0h h GLU 1952Ca 0.04 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2b0h h GLU 1952Cb 0.09 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 2b0h h GLU 1952CO -0.01 0.34 0.51 0.00 -1.16 0.00 0.00 179.01 178.70 2b0h h ALA 1954N 1.32 0.74 0.00 0.00 0.00 -1.09 0.68 119.26 120.91 2b0h h ALA 1954Ca 0.32 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2b0h h ALA 1954Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2b0h h ALA 1954CO -0.05 0.47 -0.23 0.07 0.00 0.00 0.00 179.25 179.50 2b0h h ARG 1955N 0.81 0.00 -0.11 0.00 -0.00 -1.01 -0.01 114.38 114.07 2b0h h ARG 1955Ca 0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 60.10 2b0h h ARG 1955Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.35 2b0h h ARG 1955CO 0.01 0.23 -0.14 0.00 -0.00 0.00 0.00 179.97 180.07 2b0h h ARG 1956N 0.00 0.29 0.00 0.08 3.08 -0.15 -3.24 114.38 114.44 2b0h h ARG 1956Ca -0.00 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 59.77 2b0h h ARG 1956Cb 0.86 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 2b0h h ARG 1956CO 0.03 0.72 -0.54 -0.39 -1.07 0.00 0.00 179.97 178.71 2b0h h VAL 1957N -0.12 0.99 0.00 2.04 -1.51 -0.75 -3.14 116.25 113.75 2b0h h VAL 1957Ca 0.01 -2.23 -0.06 0.00 -1.23 0.00 0.00 66.70 63.20 2b0h h VAL 1957Cb 0.68 2.37 -0.01 0.00 -2.13 0.00 0.00 31.29 32.20 2b0h h VAL 1957CO 0.03 0.53 -0.27 0.77 -1.23 0.00 0.00 177.57 177.41 2b0h h SER 1958N 0.00 0.00 -0.50 4.19 4.64 -1.07 0.67 113.55 121.48 2b0h h SER 1958Ca -0.01 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2b0h h SER 1958Cb 1.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 2b0h h SER 1958CO 0.07 0.27 -0.02 -0.33 -0.87 0.00 0.00 176.83 175.95 2b0h h GLU 1959N 0.00 0.94 -0.25 4.77 5.08 -1.57 -2.51 114.58 121.05 2b0h h GLU 1959Ca -0.00 -0.29 -0.15 0.00 -1.00 0.00 0.00 59.36 57.92 2b0h h GLU 1959Cb 0.53 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2b0h h GLU 1959CO 0.04 0.94 -0.47 0.87 -1.00 0.00 0.00 179.01 179.39 2b0h h LYS 1960N 0.86 0.66 -0.10 2.33 1.57 -1.00 -0.67 116.57 120.22 2b0h h LYS 1960Ca 0.16 -0.37 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 2b0h h LYS 1960Cb 0.53 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2b0h h LYS 1960CO 0.03 0.98 -0.25 -0.39 -0.57 0.00 0.00 179.45 179.25 2b0h h VAL 1961N 0.52 1.23 0.00 0.50 -1.51 -1.00 -1.34 116.25 114.66 2b0h h VAL 1961Ca 0.03 -1.06 -0.06 0.00 -1.23 0.00 0.00 66.70 64.38 2b0h h VAL 1961Cb 1.01 1.44 -0.01 0.00 -2.13 0.00 0.00 31.29 31.60 2b0h h VAL 1961CO 0.10 0.32 -0.27 0.28 -1.23 0.00 0.00 177.57 176.76 2b0h h SER 1962N 0.16 0.00 0.78 4.19 0.02 -0.90 -2.43 113.55 115.37 2b0h h SER 1962Ca 0.03 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.77 2b0h h SER 1962Cb 0.54 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 2b0h h SER 1962CO 0.04 0.27 -0.93 0.45 -1.14 0.00 0.00 176.83 175.52 2b0h h HIS 1963N 0.00 0.14 -0.03 3.45 -0.00 -0.07 -2.72 115.15 115.92 2b0h h HIS 1963Ca -0.00 -0.09 0.01 0.00 -0.00 0.00 0.00 60.37 60.28 2b0h h HIS 1963Cb 0.78 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.17 2b0h h HIS 1963CO 0.00 0.97 -0.01 0.28 -0.00 0.00 0.00 177.93 179.16 2b0h h VAL 1964N 0.04 0.95 -0.64 2.45 2.07 -0.93 -1.74 116.25 118.45 2b0h h VAL 1964Ca -0.03 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.62 2b0h h VAL 1964Cb 1.61 0.95 -0.10 0.00 -1.52 0.00 0.00 31.29 32.23 2b0h h VAL 1964CO 0.13 0.00 0.06 -0.07 0.02 0.00 0.00 177.57 177.71 2b0h h LEU 1965N -0.01 -0.16 -1.16 2.57 3.38 -1.36 0.87 115.31 119.44 2b0h h LEU 1965Ca 0.02 0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 2b0h h LEU 1965Cb 0.04 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2b0h h LEU 1965CO -0.04 -0.08 -0.06 0.00 0.09 0.00 0.00 178.44 178.36 2b0h h ALA 1966N 1.56 1.31 -0.47 1.53 0.00 -1.28 -2.65 119.26 119.26 2b0h h ALA 1966Ca 0.34 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2b0h h ALA 1966Cb 0.56 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2b0h h ALA 1966CO -0.51 0.47 0.11 0.00 0.00 0.00 0.00 179.25 179.32 2b0h h ALA 1967N 1.46 0.61 -0.60 0.00 0.00 0.08 -2.23 119.26 118.58 2b0h h ALA 1967Ca 0.10 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2b0h h ALA 1967Cb 0.41 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2b0h h ALA 1967CO 0.02 0.31 0.04 -0.07 0.00 0.00 0.00 179.25 179.55 2b0h h LEU 1968N 0.63 0.98 -0.38 0.00 -0.00 -1.25 -2.51 115.31 112.78 2b0h h LEU 1968Ca 0.15 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 2b0h h LEU 1968Cb 0.33 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 2b0h h LEU 1968CO 0.00 1.01 0.00 0.00 -0.00 0.00 0.00 178.44 179.46 2b0h n GLN 1969N -4.20 1.21 -3.65 1.13 6.02 -1.01 -4.73 117.38 112.15 2b0h n GLN 1969Ca 0.03 -0.31 -0.37 0.00 -0.01 0.00 0.00 57.00 56.34 2b0h n GLN 1969Cb 0.32 -1.10 -0.11 0.00 1.02 0.00 0.00 30.24 30.36 2b0h n GLN 1969CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b0h s ALA 1970N -1.84 3.47 -0.05 -1.58 0.00 -0.86 -4.89 121.76 116.01 2b0h s ALA 1970Ca 0.06 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2b0h s ALA 1970Cb 0.03 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 2b0h s ALA 1970CO 0.04 -0.44 -0.03 0.41 0.00 0.00 0.00 175.76 175.75 2b0h n GLY 1971N 4.81 -0.14 0.00 0.00 0.00 -1.26 -4.79 105.19 103.82 2b0h n GLY 1971Ca -0.15 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2b0h n GLY 1971CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2b0h n ASN 1972N -2.47 0.00 -0.90 1.61 2.85 -1.26 -4.86 115.26 110.22 2b0h n ASN 1972Ca -0.09 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.49 2b0h n ASN 1972Cb 0.62 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.74 2b0h n ASN 1972CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69