#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iwp s ARG 1833N 0.00 1.13 -0.14 1.96 0.52 0.57 -4.96 118.95 118.03 2iwp s ARG 1833Ca 0.00 -1.15 -0.00 0.00 -0.52 0.00 0.00 55.73 54.06 2iwp s ARG 1833Cb 0.00 -1.38 -0.01 0.00 0.52 0.00 0.00 34.95 34.07 2iwp s ARG 1833CO 0.00 0.32 -0.13 0.99 0.02 0.00 0.00 175.30 176.51 2iwp s THR 1834N -1.14 3.06 0.05 0.02 2.01 -1.26 -1.35 115.64 117.03 2iwp s THR 1834Ca 0.06 -0.66 0.07 0.00 0.31 0.00 0.00 61.69 61.47 2iwp s THR 1834Cb -0.10 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 2iwp s THR 1834CO 0.04 0.52 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.62 2iwp s VAL 1835N 0.42 1.48 -0.26 3.82 1.01 0.10 -5.00 120.40 121.97 2iwp s VAL 1835Ca -0.10 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.71 2iwp s VAL 1835Cb -0.16 -1.32 0.06 0.00 0.00 0.00 0.00 36.38 34.96 2iwp s VAL 1835CO 0.05 0.09 -0.10 -1.61 0.00 0.00 0.00 175.10 173.53 2iwp s GLU 1836N -1.30 2.29 -0.10 2.72 0.41 -1.26 -1.10 118.70 120.36 2iwp s GLU 1836Ca 0.05 -1.32 -0.05 0.00 -0.41 0.00 0.00 54.97 53.24 2iwp s GLU 1836Cb -0.09 -2.92 -0.04 0.00 -1.78 0.00 0.00 34.13 29.31 2iwp s GLU 1836CO 0.02 -0.57 0.08 -1.64 -0.49 0.00 0.00 175.26 172.67 2iwp s MET 1837N 1.13 3.24 -0.16 1.61 -1.94 0.25 -4.93 119.30 118.49 2iwp s MET 1837Ca -0.08 -0.26 -0.06 0.00 -1.71 0.00 0.00 55.69 53.58 2iwp s MET 1837Cb -0.20 -3.02 -0.04 0.00 2.01 0.00 0.00 34.83 33.59 2iwp s MET 1837CO -0.05 0.74 0.03 0.15 -0.01 0.00 0.00 175.02 175.89 2iwp s LYS 1838N -1.01 3.74 0.47 2.03 -0.14 -1.26 0.80 119.74 124.37 2iwp s LYS 1838Ca 0.15 -0.38 0.09 0.00 -1.36 0.00 0.00 55.97 54.46 2iwp s LYS 1838Cb -0.12 -3.08 0.04 0.00 -1.68 0.00 0.00 37.83 32.99 2iwp s LYS 1838CO 0.04 0.36 0.64 0.21 -0.76 0.00 0.00 175.35 175.83 2iwp s LYS 1839N 0.11 2.63 0.10 1.68 2.20 -0.85 -4.99 119.74 120.62 2iwp s LYS 1839Ca 0.03 -1.40 -0.07 0.00 -0.36 0.00 0.00 55.97 54.18 2iwp s LYS 1839Cb -0.13 -2.70 -0.05 0.00 -1.51 0.00 0.00 37.83 33.44 2iwp s LYS 1839CO 0.01 -0.48 0.07 0.45 -0.36 0.00 0.00 175.35 175.05 2iwp n SER 1844N -1.98 -0.71 0.04 1.43 2.88 -1.26 -4.42 113.62 109.61 2iwp n SER 1844Ca 0.10 0.28 0.12 0.00 -1.33 0.00 0.00 58.87 58.04 2iwp n SER 1844Cb 0.60 -0.27 0.12 0.00 -0.75 0.00 0.00 64.21 63.90 2iwp n SER 1844CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2iwp n LEU 1845N 0.68 0.65 -2.12 2.46 4.77 -1.26 -4.57 117.00 117.61 2iwp n LEU 1845Ca 0.04 0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 2iwp n LEU 1845Cb 0.11 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 2iwp n LEU 1845CO 0.17 -0.00 0.07 0.61 -1.33 0.00 0.00 177.39 176.90 2iwp n GLY 1846N 1.36 -0.01 3.13 -0.72 0.00 -1.26 -1.68 105.19 106.02 2iwp n GLY 1846Ca 0.03 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 2iwp n GLY 1846CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2iwp s ILE 1847N -3.04 0.76 -0.09 -0.61 -4.36 -1.26 -1.00 121.20 111.59 2iwp s ILE 1847Ca 0.26 -1.44 0.02 0.00 -0.26 0.00 0.00 60.65 59.23 2iwp s ILE 1847Cb -0.11 -1.09 -0.02 0.00 1.25 0.00 0.00 42.46 42.48 2iwp s ILE 1847CO 0.32 -0.51 -0.14 -0.44 0.24 0.00 0.00 174.94 174.41 2iwp s SER 1848N -2.14 3.99 0.11 4.36 0.01 -0.31 -4.97 113.70 114.75 2iwp s SER 1848Ca -0.00 -0.27 0.09 0.00 1.31 0.00 0.00 55.95 57.08 2iwp s SER 1848Cb -0.05 -1.21 -0.04 0.00 0.21 0.00 0.00 66.02 64.94 2iwp s SER 1848CO -0.00 0.26 -0.20 0.27 0.41 0.00 0.00 173.24 173.98 2iwp s ILE 1849N -0.21 2.73 0.27 1.44 -4.36 -1.26 -0.70 121.20 119.11 2iwp s ILE 1849Ca 0.00 -1.52 0.02 0.00 -0.26 0.00 0.00 60.65 58.89 2iwp s ILE 1849Cb -0.13 -2.23 -0.05 0.00 1.25 0.00 0.00 42.46 41.29 2iwp s ILE 1849CO 0.03 0.12 0.10 0.00 0.24 0.00 0.00 174.94 175.43 2iwp s ALA 1850N -1.10 1.86 0.00 2.27 0.00 -0.33 -4.87 121.76 119.59 2iwp s ALA 1850Ca 0.17 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.26 2iwp s ALA 1850Cb -0.10 1.00 0.00 0.00 0.00 0.00 0.00 23.12 24.01 2iwp s ALA 1850CO 0.09 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2iwp n GLY 1851N -0.51 -1.82 0.00 0.00 0.00 -1.26 -1.15 105.19 100.45 2iwp n GLY 1851Ca -0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2iwp n GLY 1851CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iwp n GLY 1852N 0.00 1.77 3.76 -0.02 0.00 0.19 -4.09 105.19 106.79 2iwp n GLY 1852Ca 0.00 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 2iwp n GLY 1852CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iwp s VAL 1853N -1.81 3.64 -0.85 1.61 1.01 -0.34 -2.59 120.40 121.06 2iwp s VAL 1853Ca 0.00 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.63 2iwp s VAL 1853Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2iwp s VAL 1853CO 0.00 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2iwp n GLY 1854N 1.26 0.97 3.69 4.51 0.00 -1.26 -3.94 105.19 110.42 2iwp n GLY 1854Ca -0.01 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 2iwp n GLY 1854CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2iwp s SER 1855N -2.69 3.13 0.48 1.61 1.04 -1.11 -4.92 113.70 111.25 2iwp s SER 1855Ca 0.00 1.53 0.27 0.00 0.48 0.00 0.00 55.95 58.23 2iwp s SER 1855Cb 0.00 -2.20 1.15 0.00 0.10 0.00 0.00 66.02 65.07 2iwp s SER 1855CO 0.00 -2.86 1.92 -0.65 0.98 0.00 0.00 173.24 172.63 2iwp h PRO 1856N -1.70 0.00 -0.09 4.02 0.11 -1.95 -2.16 132.00 130.23 2iwp h PRO 1856Ca -0.50 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 2iwp h PRO 1856Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2iwp h PRO 1856CO 0.53 0.16 -0.39 -0.07 -0.21 0.00 0.00 178.00 178.02 2iwp h LEU 1857N 0.00 0.20 0.00 2.35 3.38 -1.96 -3.50 115.31 115.78 2iwp h LEU 1857Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2iwp h LEU 1857Cb 0.60 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2iwp h LEU 1857CO 0.02 0.57 0.00 0.61 0.09 0.00 0.00 178.44 179.73 2iwp n GLY 1858N -0.28 0.73 3.58 0.83 0.00 -0.81 -5.01 105.19 104.23 2iwp n GLY 1858Ca -0.01 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 2iwp n GLY 1858CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2iwp s ASP 1859N -4.00 6.38 -0.01 1.61 1.01 -1.26 -3.15 116.67 117.25 2iwp s ASP 1859Ca 0.00 0.25 0.05 0.00 0.71 0.00 0.00 52.55 53.56 2iwp s ASP 1859Cb 0.00 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 2iwp s ASP 1859CO 0.00 -1.51 -0.17 0.68 0.21 0.00 0.00 175.17 174.38 2iwp s VAL 1860N 5.23 1.34 0.51 -1.27 -7.23 -1.07 -4.94 120.40 112.97 2iwp s VAL 1860Ca 0.47 -0.77 -0.20 0.00 -1.81 0.00 0.00 61.98 59.68 2iwp s VAL 1860Cb -0.09 -1.12 -0.10 0.00 0.56 0.00 0.00 36.38 35.63 2iwp s VAL 1860CO 0.27 0.34 0.61 -2.65 -0.31 0.00 0.00 175.10 173.36 2iwp n PRO 1861N 2.57 0.64 -2.29 4.82 -0.02 -1.26 0.55 135.00 140.01 2iwp n PRO 1861Ca -0.15 0.24 -0.41 0.00 -2.02 0.00 0.00 63.50 61.17 2iwp n PRO 1861Cb 0.54 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 32.28 2iwp n PRO 1861CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2iwp s ILE 1862N -1.59 3.21 0.07 4.25 1.01 -1.26 -3.97 121.20 122.92 2iwp s ILE 1862Ca 0.67 1.12 -0.00 0.00 0.00 0.00 0.00 60.65 62.43 2iwp s ILE 1862Cb -0.50 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 2iwp s ILE 1862CO 0.55 0.22 -0.03 0.72 0.00 0.00 0.00 174.94 176.41 2iwp s PHE 1863N -0.61 0.65 -0.45 3.97 -0.12 -0.30 -1.02 117.98 120.10 2iwp s PHE 1863Ca 0.50 -1.04 -0.29 0.00 -0.05 0.00 0.00 56.93 56.05 2iwp s PHE 1863Cb -0.35 -0.44 0.01 0.00 -0.63 0.00 0.00 43.02 41.61 2iwp s PHE 1863CO 0.43 -0.33 1.36 0.42 -0.05 0.00 0.00 175.22 177.05 2iwp s ILE 1864N -3.85 3.93 0.01 -4.49 1.01 -0.28 -1.18 121.20 116.35 2iwp s ILE 1864Ca 0.10 0.93 0.08 0.00 0.00 0.00 0.00 60.65 61.76 2iwp s ILE 1864Cb 0.07 -4.32 -0.23 0.00 0.01 0.00 0.00 42.46 37.99 2iwp s ILE 1864CO -0.07 -0.88 0.85 0.00 0.00 0.00 0.00 174.94 174.83 2iwp h ALA 1865N 10.52 0.58 -2.87 9.38 0.00 -1.25 0.16 119.26 135.79 2iwp h ALA 1865Ca -0.27 -1.27 -0.02 0.00 0.00 0.00 0.00 54.91 53.36 2iwp h ALA 1865Cb 1.09 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 2iwp h ALA 1865CO 1.11 1.43 0.01 -1.64 0.00 0.00 0.00 179.25 180.16 2iwp s MET 1866N -2.63 1.47 -0.02 0.00 1.00 -1.10 -4.83 119.30 113.19 2iwp s MET 1866Ca -0.04 -0.99 -0.13 0.00 0.00 0.00 0.00 55.69 54.53 2iwp s MET 1866Cb 0.08 0.52 0.02 0.00 0.00 0.00 0.00 34.83 35.45 2iwp s MET 1866CO 0.82 -0.63 0.28 -1.64 0.00 0.00 0.00 175.02 173.86 2iwp s MET 1867N -3.92 0.61 -0.24 2.03 -1.94 -1.26 -1.17 119.30 113.42 2iwp s MET 1867Ca 0.13 -0.17 -0.26 0.00 -1.71 0.00 0.00 55.69 53.68 2iwp s MET 1867Cb -0.01 0.27 -0.00 0.00 2.01 0.00 0.00 34.83 37.09 2iwp s MET 1867CO 0.02 -0.16 0.88 -1.01 -0.01 0.00 0.00 175.02 174.73 2iwp s HIS 1868N -1.22 3.32 -0.81 -0.03 3.76 -0.17 -4.95 115.29 115.19 2iwp s HIS 1868Ca -0.13 1.22 0.13 0.00 -0.15 0.00 0.00 55.06 56.13 2iwp s HIS 1868Cb -0.05 -3.10 0.58 0.00 1.11 0.00 0.00 32.58 31.11 2iwp s HIS 1868CO 0.04 -0.41 1.40 -0.35 -0.85 0.00 0.00 174.74 174.56 2iwp n PRO 1869N 6.05 0.05 -0.06 8.40 -0.04 -1.26 -1.64 135.00 146.50 2iwp n PRO 1869Ca 0.07 0.40 0.07 0.00 -0.04 0.00 0.00 63.50 64.01 2iwp n PRO 1869Cb 0.47 -1.62 0.10 0.00 -0.04 0.00 0.00 33.50 32.40 2iwp n PRO 1869CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2iwp n THR 1870N -1.73 0.26 -2.06 0.52 -2.24 -1.26 -4.64 114.28 103.13 2iwp n THR 1870Ca 0.02 -0.63 -0.29 0.00 -2.27 0.00 0.00 64.05 60.88 2iwp n THR 1870Cb 0.11 1.10 0.18 0.00 -2.10 0.00 0.00 70.33 69.62 2iwp n THR 1870CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2iwp s GLY 1871N -1.17 1.78 0.13 3.38 0.00 -0.65 -4.76 107.32 106.04 2iwp s GLY 1871Ca 0.21 -1.33 -0.18 0.00 0.00 0.00 0.00 44.72 43.41 2iwp s GLY 1871CO 0.19 -0.58 1.78 -2.08 0.00 0.00 0.00 173.10 172.40 2iwp h VAL 1872N -1.46 1.02 -0.02 1.40 2.07 -1.80 0.30 116.25 117.75 2iwp h VAL 1872Ca -0.43 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 66.99 2iwp h VAL 1872Cb 1.24 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2iwp h VAL 1872CO 0.37 0.06 -0.01 0.00 0.02 0.00 0.00 177.57 178.01 2iwp h ALA 1873N 1.12 0.02 -0.93 1.67 0.00 -1.62 -2.61 119.26 116.90 2iwp h ALA 1873Ca 0.10 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2iwp h ALA 1873Cb 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2iwp h ALA 1873CO -0.05 -0.50 0.61 0.00 0.00 0.00 0.00 179.25 179.31 2iwp h ALA 1874N 1.02 1.39 0.00 0.00 0.00 -1.67 -2.29 119.26 117.73 2iwp h ALA 1874Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2iwp h ALA 1874Cb 0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2iwp h ALA 1874CO -0.03 0.52 -0.02 1.96 0.00 0.00 0.00 179.25 181.68 2iwp h GLN 1875N 1.19 0.00 0.00 0.00 4.20 -0.03 -1.95 115.11 118.51 2iwp h GLN 1875Ca 0.37 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.96 2iwp h GLN 1875Cb -0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2iwp h GLN 1875CO -0.11 0.02 -0.57 1.79 -0.67 0.00 0.00 178.83 179.29 2iwp h THR 1876N 0.00 1.22 -2.45 -0.54 1.35 -1.23 -3.48 112.91 107.79 2iwp h THR 1876Ca -0.00 -2.08 -0.38 0.00 -0.55 0.00 0.00 66.41 63.40 2iwp h THR 1876Cb 0.06 2.18 -0.04 0.00 -1.73 0.00 0.00 68.15 68.62 2iwp h THR 1876CO 0.00 0.56 -0.47 0.00 -0.25 0.00 0.00 175.52 175.36 2iwp n GLN 1877N -3.59 -1.49 0.00 4.72 6.02 -0.73 -4.82 117.38 117.48 2iwp n GLN 1877Ca -0.00 0.96 0.00 0.00 -0.01 0.00 0.00 57.00 57.95 2iwp n GLN 1877Cb 0.63 -5.49 0.00 0.00 1.02 0.00 0.00 30.24 26.40 2iwp n GLN 1877CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2iwp n LYS 1878N -2.77 2.20 -4.29 -1.09 5.02 -1.26 -5.05 118.16 110.92 2iwp n LYS 1878Ca -0.22 -0.15 -0.31 0.00 -2.02 0.00 0.00 58.31 55.60 2iwp n LYS 1878Cb 0.67 -0.56 -0.09 0.00 -0.02 0.00 0.00 35.03 35.02 2iwp n LYS 1878CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2iwp s LEU 1879N -0.72 3.33 -0.00 -0.35 1.43 -1.26 -5.01 118.68 116.10 2iwp s LEU 1879Ca 0.00 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 2iwp s LEU 1879Cb 0.00 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 2iwp s LEU 1879CO 0.00 0.24 0.05 -0.13 0.23 0.00 0.00 176.35 176.74 2iwp s ARG 1880N -1.81 0.25 0.35 1.70 3.00 -1.26 -4.87 118.95 116.31 2iwp s ARG 1880Ca 0.21 -0.27 -0.28 0.00 0.00 0.00 0.00 55.73 55.39 2iwp s ARG 1880Cb -0.11 0.10 -0.12 0.00 0.00 0.00 0.00 34.95 34.82 2iwp s ARG 1880CO 0.12 -0.05 1.45 0.28 0.00 0.00 0.00 175.30 177.11 2iwp n VAL 1881N 2.18 1.83 0.00 3.52 0.31 -1.26 -1.31 118.33 123.60 2iwp n VAL 1881Ca -0.19 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2iwp n VAL 1881Cb 0.57 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 2iwp n VAL 1881CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2iwp n GLY 1882N 0.82 1.52 3.75 2.92 0.00 0.58 -4.95 105.19 109.82 2iwp n GLY 1882Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2iwp n GLY 1882CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2iwp s ASP 1883N -2.23 6.43 -0.05 1.61 1.01 -0.43 -1.74 116.67 121.27 2iwp s ASP 1883Ca 0.00 2.89 -0.17 0.00 0.71 0.00 0.00 52.55 55.98 2iwp s ASP 1883Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 2iwp s ASP 1883CO 0.00 -0.88 0.45 -0.13 0.21 0.00 0.00 175.17 174.83 2iwp s ARG 1884N -0.34 4.16 -0.37 8.23 3.00 0.63 -1.12 118.95 133.14 2iwp s ARG 1884Ca 0.63 0.46 -0.18 0.00 0.00 0.00 0.00 55.73 56.64 2iwp s ARG 1884Cb -0.47 -3.33 0.00 0.00 0.00 0.00 0.00 34.95 31.16 2iwp s ARG 1884CO 0.46 0.42 0.48 0.42 0.00 0.00 0.00 175.30 177.08 2iwp s ILE 1885N -0.25 5.04 -0.10 1.52 1.01 -0.19 -1.23 121.20 127.01 2iwp s ILE 1885Ca 0.25 0.12 -0.10 0.00 0.00 0.00 0.00 60.65 60.92 2iwp s ILE 1885Cb -0.16 -3.98 -0.27 0.00 0.01 0.00 0.00 42.46 38.06 2iwp s ILE 1885CO 0.12 -0.27 0.48 0.58 0.00 0.00 0.00 174.94 175.85 2iwp h VAL 1886N 5.65 0.80 -3.73 2.92 2.07 -0.56 -3.42 116.25 119.97 2iwp h VAL 1886Ca -0.28 -2.39 -0.17 0.00 0.82 0.00 0.00 66.70 64.68 2iwp h VAL 1886Cb 1.12 2.60 -0.22 0.00 -1.52 0.00 0.00 31.29 33.27 2iwp h VAL 1886CO 0.77 0.83 -0.62 0.42 0.02 0.00 0.00 177.57 179.00 2iwp s THR 1887N -2.54 0.07 -0.05 2.57 -4.23 -0.99 -1.64 115.64 108.84 2iwp s THR 1887Ca -0.20 -0.62 0.04 0.00 -1.18 0.00 0.00 61.69 59.73 2iwp s THR 1887Cb 0.06 -0.28 -0.00 0.00 1.34 0.00 0.00 72.50 73.62 2iwp s THR 1887CO 0.79 -0.34 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.72 2iwp s ILE 1888N -1.07 1.46 -1.73 2.99 1.01 0.02 -1.55 121.20 122.33 2iwp s ILE 1888Ca -0.12 -0.73 -0.19 0.00 0.00 0.00 0.00 60.65 59.62 2iwp s ILE 1888Cb -0.07 -1.26 0.17 0.00 0.01 0.00 0.00 42.46 41.31 2iwp s ILE 1888CO 0.00 0.42 0.74 0.00 0.00 0.00 0.00 174.94 176.10 2iwp n GLY 1890N -1.37 0.65 3.34 0.00 0.00 -1.26 -4.98 105.19 101.56 2iwp n GLY 1890Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2iwp n GLY 1890CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2iwp s THR 1891N -2.56 2.09 0.28 2.61 2.01 -0.59 -5.09 115.64 114.38 2iwp s THR 1891Ca 0.00 -1.42 -0.29 0.00 0.31 0.00 0.00 61.69 60.29 2iwp s THR 1891Cb 0.00 -1.80 -0.10 0.00 0.01 0.00 0.00 72.50 70.61 2iwp s THR 1891CO 0.00 0.30 1.38 -0.55 -0.69 0.00 0.00 174.62 175.07 2iwp s SER 1892N -1.35 6.70 -0.00 3.53 0.15 -1.26 -0.80 113.70 120.67 2iwp s SER 1892Ca 0.11 2.68 0.03 0.00 0.70 0.00 0.00 55.95 59.47 2iwp s SER 1892Cb -0.10 -2.63 0.10 0.00 -1.71 0.00 0.00 66.02 61.67 2iwp s SER 1892CO 0.03 -0.64 1.06 0.35 1.20 0.00 0.00 173.24 175.24 2iwp n THR 1893N 1.69 0.16 -3.46 6.45 -2.24 -0.65 -4.78 114.28 111.44 2iwp n THR 1893Ca 0.04 -0.15 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 2iwp n THR 1893Cb 0.41 0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.59 2iwp n THR 1893CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2iwp s GLU 1894N -1.83 3.43 0.00 -0.78 -6.30 -1.26 -2.29 118.70 109.66 2iwp s GLU 1894Ca 0.07 -0.62 0.00 0.00 -2.50 0.00 0.00 54.97 51.93 2iwp s GLU 1894Cb 0.04 -3.84 0.00 0.00 0.00 0.00 0.00 34.13 30.33 2iwp s GLU 1894CO 0.05 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.20 2iwp n GLY 1895N 5.06 0.30 3.75 -1.50 0.00 -1.26 -5.07 105.19 106.47 2iwp n GLY 1895Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 2iwp n GLY 1895CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2iwp s MET 1896N -0.98 4.61 0.67 1.61 -1.94 -0.97 -4.84 119.30 117.45 2iwp s MET 1896Ca 0.00 1.82 -0.11 0.00 -1.71 0.00 0.00 55.69 55.69 2iwp s MET 1896Cb 0.00 -3.20 0.00 0.00 2.01 0.00 0.00 34.83 33.64 2iwp s MET 1896CO 0.00 0.14 1.05 0.95 -0.01 0.00 0.00 175.02 177.16 2iwp s THR 1897N -0.90 3.79 0.26 2.05 -4.23 -1.26 -1.20 115.64 114.15 2iwp s THR 1897Ca 0.46 0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 61.45 2iwp s THR 1897Cb -0.32 -3.57 0.26 0.00 1.34 0.00 0.00 72.50 70.21 2iwp s THR 1897CO 0.40 -0.72 1.87 -0.74 -0.54 0.00 0.00 174.62 174.88 2iwp h HIS 1898N -0.51 1.14 -0.38 3.99 2.76 -1.71 -2.00 115.15 118.44 2iwp h HIS 1898Ca -0.45 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 57.70 2iwp h HIS 1898Cb 1.24 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.82 2iwp h HIS 1898CO 0.53 0.56 0.02 1.15 -1.30 0.00 0.00 177.93 178.89 2iwp h THR 1899N 1.09 1.26 -0.76 6.26 2.02 -1.91 -1.45 112.91 119.41 2iwp h THR 1899Ca 0.43 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 2iwp h THR 1899Cb 0.23 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 2iwp h THR 1899CO -0.19 0.32 0.43 1.56 0.37 0.00 0.00 175.52 178.01 2iwp h GLN 1900N 0.50 1.05 -0.12 6.66 4.20 -1.81 -1.44 115.11 124.14 2iwp h GLN 1900Ca 0.11 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 2iwp h GLN 1900Cb 0.44 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2iwp h GLN 1900CO 0.02 0.76 -0.22 0.00 -0.67 0.00 0.00 178.83 178.72 2iwp h ALA 1901N 1.41 0.19 -0.50 3.87 0.00 -1.19 -2.66 119.26 120.38 2iwp h ALA 1901Ca 0.27 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2iwp h ALA 1901Cb 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2iwp h ALA 1901CO -0.05 0.14 0.25 0.28 0.00 0.00 0.00 179.25 179.88 2iwp h VAL 1902N -0.06 1.18 -0.72 0.00 2.07 -1.10 -1.77 116.25 115.85 2iwp h VAL 1902Ca 0.01 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 2iwp h VAL 1902Cb 0.80 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2iwp h VAL 1902CO 0.05 0.20 0.17 0.78 0.02 0.00 0.00 177.57 178.79 2iwp h ASN 1903N 0.66 1.09 -0.39 0.57 2.35 -1.29 -0.71 115.58 117.86 2iwp h ASN 1903Ca 0.17 -0.23 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2iwp h ASN 1903Cb 0.09 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 2iwp h ASN 1903CO -0.02 1.04 0.23 0.25 -1.65 0.00 0.00 177.43 177.27 2iwp h LEU 1904N 1.09 0.38 -0.42 1.61 5.85 -1.35 0.26 115.31 122.72 2iwp h LEU 1904Ca 0.22 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.77 2iwp h LEU 1904Cb 0.38 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2iwp h LEU 1904CO 0.00 0.27 -0.79 -0.07 -0.34 0.00 0.00 178.44 177.52 2iwp h LEU 1905N 0.47 0.13 -0.32 2.25 3.38 -0.94 -1.91 115.31 118.38 2iwp h LEU 1905Ca 0.15 -0.10 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 2iwp h LEU 1905Cb -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2iwp h LEU 1905CO -0.06 0.86 -0.61 0.11 0.09 0.00 0.00 178.44 178.83 2iwp h LYS 1906N 0.06 0.77 -0.09 1.13 1.57 -1.03 -3.28 116.57 115.71 2iwp h LYS 1906Ca -0.02 -0.52 -0.15 0.00 -1.87 0.00 0.00 60.65 58.08 2iwp h LYS 1906Cb 1.38 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.75 2iwp h LYS 1906CO 0.11 1.15 -0.61 -0.97 -0.57 0.00 0.00 179.45 178.56 2iwp h ASN 1907N 0.57 0.37 -4.14 0.86 -1.24 -0.82 -3.46 115.58 107.71 2iwp h ASN 1907Ca -0.00 -0.21 -0.49 0.00 0.71 0.00 0.00 56.30 56.30 2iwp h ASN 1907Cb 1.21 -0.11 0.06 0.00 0.73 0.00 0.00 38.32 40.21 2iwp h ASN 1907CO 0.13 0.89 0.39 0.00 -1.29 0.00 0.00 177.43 177.55 2iwp s ALA 1908N -3.78 2.71 0.33 1.57 0.00 -0.73 -5.06 121.76 116.80 2iwp s ALA 1908Ca -0.05 0.57 -0.13 0.00 0.00 0.00 0.00 51.96 52.35 2iwp s ALA 1908Cb 0.12 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.98 2iwp s ALA 1908CO 0.81 -0.78 0.65 -1.54 0.00 0.00 0.00 175.76 174.91 2iwp s SER 1909N -2.33 0.17 0.68 0.00 1.04 -1.26 -4.99 113.70 107.00 2iwp s SER 1909Ca 0.67 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2iwp s SER 1909Cb -0.19 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2iwp s SER 1909CO 0.32 -1.45 0.00 0.61 0.98 0.00 0.00 173.24 173.70 2iwp n GLY 1910N -0.50 0.31 3.59 7.32 0.00 -1.26 -4.79 105.19 109.86 2iwp n GLY 1910Ca -0.04 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 2iwp n GLY 1910CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2iwp s SER 1911N -4.00 6.56 -0.28 1.61 0.01 -1.26 -2.01 113.70 114.34 2iwp s SER 1911Ca 0.00 0.43 -0.06 0.00 1.31 0.00 0.00 55.95 57.64 2iwp s SER 1911Cb 0.00 -2.38 0.01 0.00 0.21 0.00 0.00 66.02 63.86 2iwp s SER 1911CO 0.00 -0.65 0.04 -0.63 0.41 0.00 0.00 173.24 172.42 2iwp s ILE 1912N 2.94 3.72 -0.00 1.44 1.01 0.24 -4.94 121.20 125.61 2iwp s ILE 1912Ca 0.30 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 60.06 2iwp s ILE 1912Cb -0.14 -2.90 -0.06 0.00 0.01 0.00 0.00 42.46 39.38 2iwp s ILE 1912CO 0.15 0.13 0.42 -0.70 0.00 0.00 0.00 174.94 174.94 2iwp s GLU 1913N 1.47 3.97 0.01 2.79 -6.30 -1.26 0.84 118.70 120.21 2iwp s GLU 1913Ca 0.02 0.44 0.02 0.00 -2.50 0.00 0.00 54.97 52.95 2iwp s GLU 1913Cb -0.17 -3.24 -0.01 0.00 0.00 0.00 0.00 34.13 30.71 2iwp s GLU 1913CO 0.01 0.65 -0.08 1.41 0.02 0.00 0.00 175.26 177.27 2iwp s MET 1914N -0.97 0.57 -0.10 4.30 1.75 -0.26 -0.05 119.30 124.55 2iwp s MET 1914Ca 0.24 -0.41 0.04 0.00 -1.25 0.00 0.00 55.69 54.30 2iwp s MET 1914Cb -0.17 -0.51 -0.01 0.00 2.84 0.00 0.00 34.83 36.99 2iwp s MET 1914CO 0.14 0.13 -0.22 -0.65 -0.65 0.00 0.00 175.02 173.77 2iwp s GLN 1915N -0.60 3.00 0.10 4.11 -0.21 -0.59 0.02 119.66 125.50 2iwp s GLN 1915Ca -0.01 -0.85 0.04 0.00 0.02 0.00 0.00 55.36 54.57 2iwp s GLN 1915Cb -0.05 -2.34 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 2iwp s GLN 1915CO 0.00 0.23 -0.10 0.14 -2.12 0.00 0.00 175.29 173.44 2iwp s VAL 1916N 0.22 1.01 -0.03 1.09 -7.23 -0.45 0.21 120.40 115.21 2iwp s VAL 1916Ca -0.14 -1.70 0.05 0.00 -1.81 0.00 0.00 61.98 58.39 2iwp s VAL 1916Cb -0.17 -1.43 -0.01 0.00 0.56 0.00 0.00 36.38 35.33 2iwp s VAL 1916CO 0.07 -0.57 -0.19 0.68 -0.31 0.00 0.00 175.10 174.79 2iwp s VAL 1917N -2.52 1.55 0.29 1.32 -7.23 -0.37 -0.32 120.40 113.14 2iwp s VAL 1917Ca 0.07 -0.81 -0.29 0.00 -1.81 0.00 0.00 61.98 59.13 2iwp s VAL 1917Cb -0.02 -1.31 -0.13 0.00 0.56 0.00 0.00 36.38 35.48 2iwp s VAL 1917CO 0.00 0.44 1.35 0.00 -0.31 0.00 0.00 175.10 176.59 2iwp n ALA 1918N 2.85 1.27 -0.03 1.32 0.00 -1.26 -0.27 120.51 124.39 2iwp n ALA 1918Ca -0.16 0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.65 2iwp n ALA 1918Cb 0.53 -2.27 0.28 0.00 0.00 0.00 0.00 19.45 17.99 2iwp n ALA 1918CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2iwp h GLY 1919N 3.39 0.64 -1.53 0.00 0.00 -1.67 -3.44 103.07 100.46 2iwp h GLY 1919Ca -0.46 -0.36 -0.30 0.00 0.00 0.00 0.00 47.33 46.21 2iwp h GLY 1919CO 0.69 0.34 -0.34 0.61 0.00 0.00 0.00 176.54 177.85 2iwp n GLY 1920N -0.91 0.51 3.77 4.60 0.00 -1.26 -3.20 105.19 108.70 2iwp n GLY 1920Ca 0.02 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 2iwp n GLY 1920CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2iwp n ASP 1921N -0.67 -4.66 -0.10 1.61 9.92 -1.26 -4.90 116.55 116.49 2iwp n ASP 1921Ca -0.17 -0.71 -0.22 0.00 -0.53 0.00 0.00 54.79 53.17 2iwp n ASP 1921Cb 0.57 -4.30 -0.12 0.00 -0.64 0.00 0.00 41.12 36.64 2iwp n ASP 1921CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2iwp h VAL 1922N -2.23 0.89 -0.39 2.53 2.07 -1.96 -3.40 116.25 113.76 2iwp h VAL 1922Ca -0.58 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 64.75 2iwp h VAL 1922Cb 1.37 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 2iwp h VAL 1922CO 0.62 0.35 0.00 -1.54 0.02 0.00 0.00 177.57 177.02 2iwp n SER 1923N -4.36 3.07 -3.80 0.57 3.41 -1.26 -4.96 113.62 106.29 2iwp n SER 1923Ca -0.32 -1.94 -0.10 0.00 -0.26 0.00 0.00 58.87 56.26 2iwp n SER 1923Cb 0.71 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 2iwp n SER 1923CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2iwp s GLU 1924N -1.04 1.05 -0.07 4.33 4.04 -1.26 -5.18 118.70 120.58 2iwp s GLU 1924Ca 0.29 -0.92 0.01 0.00 0.04 0.00 0.00 54.97 54.38 2iwp s GLU 1924Cb 0.15 0.41 0.02 0.00 0.02 0.00 0.00 34.13 34.74 2iwp s GLU 1924CO 0.21 -0.39 -0.07 0.99 -1.84 0.00 0.00 175.26 174.16 2iwp s THR 1925N -3.87 0.80 0.22 1.83 2.01 -1.26 -4.19 115.64 111.18 2iwp s THR 1925Ca 0.08 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 2iwp s THR 1925Cb 0.03 -0.80 -0.09 0.00 0.01 0.00 0.00 72.50 71.65 2iwp s THR 1925CO -0.08 0.30 1.28 -0.44 -0.69 0.00 0.00 174.62 174.99 2iwp s SER 1926N 1.09 6.92 0.00 3.53 0.01 -1.26 -5.15 113.70 118.84 2iwp s SER 1926Ca -0.08 2.42 0.00 0.00 1.31 0.00 0.00 55.95 59.60 2iwp s SER 1926Cb -0.14 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.47 2iwp s SER 1926CO -0.01 -0.49 0.00 1.33 0.41 0.00 0.00 173.24 174.48