#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iwo h GLU 1823N 0.00 1.03 -0.20 1.09 4.81 -2.05 0.04 114.58 119.28 2iwo h GLU 1823Ca 0.00 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 2iwo h GLU 1823Cb 0.00 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 2iwo h GLU 1823CO 0.00 0.69 -0.29 -0.91 -0.73 0.00 0.00 179.01 177.77 2iwo h ASN 1824N 1.05 0.41 -0.66 1.04 2.35 -1.99 -1.45 115.58 116.32 2iwo h ASN 1824Ca 0.28 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2iwo h ASN 1824Cb -0.10 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 2iwo h ASN 1824CO -0.06 0.69 0.39 -0.07 -1.65 0.00 0.00 177.43 176.73 2iwo h LEU 1825N 0.35 0.81 -0.14 1.61 4.07 -1.69 -0.27 115.31 120.04 2iwo h LEU 1825Ca 0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 2iwo h LEU 1825Cb 0.70 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 2iwo h LEU 1825CO 0.05 0.64 0.05 1.88 -1.08 0.00 0.00 178.44 179.98 2iwo h TYR 1826N 0.90 0.23 -0.72 1.13 -1.99 -0.69 -1.73 116.97 114.10 2iwo h TYR 1826Ca 0.24 -0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.97 2iwo h TYR 1826Cb -0.01 -0.07 -0.04 0.00 2.00 0.00 0.00 36.73 38.62 2iwo h TYR 1826CO -0.01 0.33 0.46 0.74 -0.00 0.00 0.00 178.16 179.68 2iwo h PHE 1827N 0.06 0.87 -0.76 4.88 0.05 -1.10 -2.41 116.94 118.53 2iwo h PHE 1827Ca 0.05 0.02 0.06 0.00 3.82 0.00 0.00 57.97 61.91 2iwo h PHE 1827Cb 0.20 -0.29 -0.05 0.00 2.00 0.00 0.00 35.95 37.82 2iwo h PHE 1827CO -0.01 0.52 0.50 0.37 -0.18 0.00 0.00 178.31 179.52 2iwo h GLN 1828N 0.92 0.82 0.00 1.51 4.15 -0.19 0.51 115.11 122.84 2iwo h GLN 1828Ca 0.28 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 2iwo h GLN 1828Cb -0.04 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.46 2iwo h GLN 1828CO -0.08 0.55 -0.02 0.66 -1.93 0.00 0.00 178.83 178.00 2iwo h SER 1829N 0.85 0.00 -0.54 -0.69 4.64 -0.79 -2.04 113.55 114.98 2iwo h SER 1829Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2iwo h SER 1829Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2iwo h SER 1829CO -0.11 0.02 0.00 0.23 -0.87 0.00 0.00 176.83 176.10 2iwo n MET 1830N -3.30 2.60 -0.08 4.77 2.81 0.08 -4.96 117.12 119.03 2iwo n MET 1830Ca -0.02 -2.40 0.00 0.00 -1.81 0.00 0.00 57.70 53.46 2iwo n MET 1830Cb 0.13 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 2iwo n MET 1830CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2iwo n GLY 1831N 1.42 0.80 3.29 3.03 0.00 -0.76 -5.06 105.19 107.90 2iwo n GLY 1831Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2iwo n GLY 1831CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2iwo s LEU 1832N 0.00 4.28 -0.08 0.99 2.96 -0.65 -4.37 118.68 121.81 2iwo s LEU 1832Ca 0.00 -1.07 -0.13 0.00 -0.22 0.00 0.00 54.13 52.72 2iwo s LEU 1832Cb 0.00 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 2iwo s LEU 1832CO 0.00 -0.31 0.31 -0.13 -1.32 0.00 0.00 176.35 174.90 2iwo s ARG 1833N 1.43 3.93 -0.17 1.98 0.52 0.13 -1.75 118.95 125.01 2iwo s ARG 1833Ca -0.01 0.18 -0.00 0.00 -0.52 0.00 0.00 55.73 55.38 2iwo s ARG 1833Cb -0.19 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 31.99 2iwo s ARG 1833CO 0.03 0.55 -0.14 0.99 0.02 0.00 0.00 175.30 176.75 2iwo s THR 1834N -0.51 2.65 0.10 0.02 2.01 -1.26 -0.37 115.64 118.27 2iwo s THR 1834Ca 0.19 -0.76 0.10 0.00 0.31 0.00 0.00 61.69 61.53 2iwo s THR 1834Cb -0.14 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 2iwo s THR 1834CO 0.08 0.50 -0.26 0.68 -0.69 0.00 0.00 174.62 174.94 2iwo s VAL 1835N 1.05 2.12 -0.18 3.82 -7.23 -0.12 -4.99 120.40 114.87 2iwo s VAL 1835Ca -0.01 -1.61 -0.01 0.00 -1.81 0.00 0.00 61.98 58.55 2iwo s VAL 1835Cb -0.15 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 34.93 2iwo s VAL 1835CO -0.04 0.14 -0.13 -1.61 -0.31 0.00 0.00 175.10 173.16 2iwo s GLU 1836N -1.79 3.22 0.15 4.82 0.41 -1.26 -1.20 118.70 123.05 2iwo s GLU 1836Ca 0.12 -0.73 0.09 0.00 -0.41 0.00 0.00 54.97 54.05 2iwo s GLU 1836Cb -0.10 -2.73 -0.04 0.00 -1.78 0.00 0.00 34.13 29.48 2iwo s GLU 1836CO 0.05 -0.09 -0.21 -1.64 -0.49 0.00 0.00 175.26 172.87 2iwo s MET 1837N 1.10 1.30 0.10 1.61 -1.94 0.22 -4.87 119.30 116.83 2iwo s MET 1837Ca 0.00 -1.36 0.06 0.00 -1.71 0.00 0.00 55.69 52.68 2iwo s MET 1837Cb -0.14 -1.53 -0.03 0.00 2.01 0.00 0.00 34.83 35.13 2iwo s MET 1837CO -0.04 0.33 -0.16 0.15 -0.01 0.00 0.00 175.02 175.30 2iwo s LYS 1838N -2.44 0.97 0.38 2.03 3.01 -1.26 0.15 119.74 122.58 2iwo s LYS 1838Ca 0.14 -1.10 -0.25 0.00 -1.01 0.00 0.00 55.97 53.75 2iwo s LYS 1838Cb -0.08 -1.00 -0.09 0.00 -1.01 0.00 0.00 37.83 35.65 2iwo s LYS 1838CO 0.07 0.22 1.03 0.15 0.51 0.00 0.00 175.35 177.32 2iwo s LYS 1839N -2.09 4.27 0.00 1.68 1.02 -1.26 -4.74 119.74 118.63 2iwo s LYS 1839Ca 0.04 1.48 0.00 0.00 0.02 0.00 0.00 55.97 57.51 2iwo s LYS 1839Cb -0.08 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.61 2iwo s LYS 1839CO 0.03 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 2iwo n GLY 1840N 0.39 3.30 3.68 -3.33 0.00 0.49 -4.83 105.19 104.89 2iwo n GLY 1840Ca 0.04 -2.07 -0.38 0.00 0.00 0.00 0.00 46.02 43.60 2iwo n GLY 1840CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2iwo n PRO 1841N -0.23 1.24 -0.99 1.61 -0.02 -1.26 -1.29 135.00 134.06 2iwo n PRO 1841Ca 0.00 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2iwo n PRO 1841Cb 0.00 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 2iwo n PRO 1841CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2iwo n THR 1842N -1.41 0.00 -3.53 3.45 -2.24 -1.26 -3.96 114.28 105.33 2iwo n THR 1842Ca 0.13 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.71 2iwo n THR 1842Cb 0.46 -0.29 0.08 0.00 -2.10 0.00 0.00 70.33 68.48 2iwo n THR 1842CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2iwo n ASP 1843N -0.28 -3.33 -4.12 3.42 4.64 -0.41 -5.00 116.55 111.48 2iwo n ASP 1843Ca 0.00 -0.62 -0.21 0.00 -1.38 0.00 0.00 54.79 52.58 2iwo n ASP 1843Cb 0.14 -4.94 -0.14 0.00 -1.04 0.00 0.00 41.12 35.14 2iwo n ASP 1843CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 2iwo s SER 1844N -4.02 1.60 0.42 1.67 0.15 -1.20 -4.88 113.70 107.44 2iwo s SER 1844Ca 0.20 -0.35 0.27 0.00 0.70 0.00 0.00 55.95 56.77 2iwo s SER 1844Cb -0.09 -0.14 0.82 0.00 -1.71 0.00 0.00 66.02 64.90 2iwo s SER 1844CO 0.74 0.10 1.77 -0.07 1.20 0.00 0.00 173.24 176.98 2iwo h LEU 1845N 5.38 0.00 0.00 3.45 3.38 -1.91 0.14 115.31 125.75 2iwo h LEU 1845Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2iwo h LEU 1845Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2iwo h LEU 1845CO 0.46 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.60 2iwo n GLY 1846N 0.65 0.42 3.16 0.83 0.00 -1.26 -4.69 105.19 104.31 2iwo n GLY 1846Ca 0.03 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.90 2iwo n GLY 1846CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2iwo s ILE 1847N -2.00 1.11 -0.14 -0.61 -4.36 -1.26 0.04 121.20 113.98 2iwo s ILE 1847Ca 0.00 -1.22 -0.02 0.00 -0.26 0.00 0.00 60.65 59.15 2iwo s ILE 1847Cb 0.00 -1.05 -0.02 0.00 1.25 0.00 0.00 42.46 42.64 2iwo s ILE 1847CO 0.00 -0.17 -0.09 -0.44 0.24 0.00 0.00 174.94 174.49 2iwo s SER 1848N -1.58 4.38 0.07 4.36 0.01 -0.49 -5.00 113.70 115.45 2iwo s SER 1848Ca -0.01 -0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.06 2iwo s SER 1848Cb -0.09 -1.67 -0.04 0.00 0.21 0.00 0.00 66.02 64.43 2iwo s SER 1848CO 0.02 0.17 0.02 0.27 0.41 0.00 0.00 173.24 174.13 2iwo s ILE 1849N 0.31 4.18 0.08 1.44 -4.36 -1.26 -0.64 121.20 120.95 2iwo s ILE 1849Ca -0.07 -0.84 0.03 0.00 -0.26 0.00 0.00 60.65 59.50 2iwo s ILE 1849Cb -0.15 -2.97 -0.03 0.00 1.25 0.00 0.00 42.46 40.56 2iwo s ILE 1849CO 0.04 0.18 -0.09 0.00 0.24 0.00 0.00 174.94 175.31 2iwo s ALA 1850N -1.28 0.96 0.00 2.27 0.00 -0.30 -4.87 121.76 118.54 2iwo s ALA 1850Ca 0.25 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2iwo s ALA 1850Cb -0.12 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2iwo s ALA 1850CO 0.17 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.27 2iwo n GLY 1851N 0.63 -1.94 0.00 0.00 0.00 -1.26 -1.02 105.19 101.60 2iwo n GLY 1851Ca -0.17 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2iwo n GLY 1851CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iwo n GLY 1852N 0.00 1.38 3.75 -0.02 0.00 0.57 -4.11 105.19 106.76 2iwo n GLY 1852Ca 0.00 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 2iwo n GLY 1852CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iwo s VAL 1853N -2.49 2.19 0.00 1.61 1.01 -0.72 -1.91 120.40 120.09 2iwo s VAL 1853Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2iwo s VAL 1853Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2iwo s VAL 1853CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.74 2iwo n GLY 1854N 2.00 0.71 3.80 4.51 0.00 -1.26 -1.21 105.19 113.74 2iwo n GLY 1854Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2iwo n GLY 1854CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2iwo s SER 1855N -2.40 4.74 0.28 1.61 1.04 -0.80 -4.87 113.70 113.30 2iwo s SER 1855Ca 0.00 1.44 0.20 0.00 0.48 0.00 0.00 55.95 58.07 2iwo s SER 1855Cb 0.00 -2.22 1.03 0.00 0.10 0.00 0.00 66.02 64.93 2iwo s SER 1855CO 0.00 -1.83 1.61 -0.81 0.98 0.00 0.00 173.24 173.19 2iwo n PRO 1856N -3.36 0.13 0.00 4.02 -0.04 -1.26 -1.24 135.00 133.25 2iwo n PRO 1856Ca 0.07 0.58 0.13 0.00 -0.04 0.00 0.00 63.50 64.25 2iwo n PRO 1856Cb 0.55 -1.90 0.41 0.00 -0.04 0.00 0.00 33.50 32.52 2iwo n PRO 1856CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2iwo n LEU 1857N -2.17 0.87 0.00 1.53 4.77 -1.26 -5.06 117.00 115.67 2iwo n LEU 1857Ca -0.01 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2iwo n LEU 1857Cb 0.07 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2iwo n LEU 1857CO 0.10 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2iwo n GLY 1858N 1.35 -1.62 3.46 -0.72 0.00 -0.38 -4.75 105.19 102.52 2iwo n GLY 1858Ca 0.12 -2.06 -0.44 0.00 0.00 0.00 0.00 46.02 43.63 2iwo n GLY 1858CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2iwo s ASP 1859N -4.00 7.09 0.24 1.61 1.01 -1.26 -3.28 116.67 118.07 2iwo s ASP 1859Ca 0.00 -3.04 0.10 0.00 0.71 0.00 0.00 52.55 50.32 2iwo s ASP 1859Cb 0.00 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 2iwo s ASP 1859CO 0.00 -0.72 -0.09 0.68 0.21 0.00 0.00 175.17 175.25 2iwo s VAL 1860N 1.40 3.08 0.48 -1.27 -7.23 -1.25 -4.91 120.40 110.69 2iwo s VAL 1860Ca 0.42 -1.95 -0.23 0.00 -1.81 0.00 0.00 61.98 58.42 2iwo s VAL 1860Cb -0.03 -2.59 -0.09 0.00 0.56 0.00 0.00 36.38 34.23 2iwo s VAL 1860CO -0.00 -0.28 1.05 -2.65 -0.31 0.00 0.00 175.10 172.92 2iwo n PRO 1861N -0.45 1.34 -2.39 4.82 -0.02 -1.26 -0.31 135.00 136.73 2iwo n PRO 1861Ca -0.08 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 2iwo n PRO 1861Cb 0.58 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 2iwo n PRO 1861CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2iwo s ILE 1862N -1.33 3.61 0.18 4.25 1.01 -1.26 -4.11 121.20 123.55 2iwo s ILE 1862Ca 0.66 1.36 -0.08 0.00 0.00 0.00 0.00 60.65 62.60 2iwo s ILE 1862Cb -0.50 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 2iwo s ILE 1862CO 0.54 0.22 0.28 0.72 0.00 0.00 0.00 174.94 176.69 2iwo s PHE 1863N -0.06 0.55 -0.40 3.97 -0.12 -0.19 -1.07 117.98 120.66 2iwo s PHE 1863Ca 0.52 -0.89 -0.21 0.00 -0.05 0.00 0.00 56.93 56.30 2iwo s PHE 1863Cb -0.32 -0.13 0.01 0.00 -0.63 0.00 0.00 43.02 41.96 2iwo s PHE 1863CO 0.36 -0.74 0.66 0.42 -0.05 0.00 0.00 175.22 175.87 2iwo s ILE 1864N -4.01 4.84 0.04 -4.49 1.01 -0.25 -1.15 121.20 117.18 2iwo s ILE 1864Ca 0.22 0.38 -0.06 0.00 0.00 0.00 0.00 60.65 61.19 2iwo s ILE 1864Cb 0.03 -4.16 -0.30 0.00 0.01 0.00 0.00 42.46 38.05 2iwo s ILE 1864CO 0.04 -0.47 1.01 0.00 0.00 0.00 0.00 174.94 175.51 2iwo h ALA 1865N 8.69 0.10 -2.61 9.38 0.00 -1.21 0.15 119.26 133.76 2iwo h ALA 1865Ca -0.26 -0.96 -0.06 0.00 0.00 0.00 0.00 54.91 53.63 2iwo h ALA 1865Cb 1.10 0.14 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 2iwo h ALA 1865CO 0.87 0.97 -0.02 -1.64 0.00 0.00 0.00 179.25 179.43 2iwo s MET 1866N -2.63 1.02 0.00 0.00 -1.94 -1.22 -4.79 119.30 109.75 2iwo s MET 1866Ca -0.07 -0.41 -0.00 0.00 -1.71 0.00 0.00 55.69 53.50 2iwo s MET 1866Cb 0.06 0.46 -0.00 0.00 2.01 0.00 0.00 34.83 37.36 2iwo s MET 1866CO 0.89 -0.38 0.01 -1.64 -0.01 0.00 0.00 175.02 173.88 2iwo s MET 1867N -2.89 0.08 -0.47 2.03 1.00 -1.26 -1.39 119.30 116.39 2iwo s MET 1867Ca -0.03 -0.11 0.06 0.00 0.00 0.00 0.00 55.69 55.62 2iwo s MET 1867Cb -0.00 0.03 0.24 0.00 0.00 0.00 0.00 34.83 35.10 2iwo s MET 1867CO -0.05 -0.01 0.83 1.58 0.00 0.00 0.00 175.02 177.37 2iwo n HIS 1868N 2.77 -2.87 -2.47 -0.03 -0.00 0.11 -5.00 115.22 107.74 2iwo n HIS 1868Ca -0.14 -2.05 -0.34 0.00 0.46 0.00 0.00 57.72 55.64 2iwo n HIS 1868Cb 0.59 1.26 -0.03 0.00 -0.12 0.00 0.00 29.99 31.69 2iwo n HIS 1868CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 2iwo s PRO 1869N 0.39 3.71 -0.33 1.57 0.02 -1.20 -4.69 135.00 134.46 2iwo s PRO 1869Ca 0.32 1.44 0.16 0.00 0.02 0.00 0.00 61.00 62.95 2iwo s PRO 1869Cb 0.22 -2.11 0.44 0.00 0.02 0.00 0.00 34.50 33.07 2iwo s PRO 1869CO -0.23 -0.52 0.90 0.25 -0.33 0.00 0.00 177.00 177.08 2iwo n THR 1870N -0.98 0.76 0.00 0.99 -2.24 -1.26 -5.06 114.28 106.49 2iwo n THR 1870Ca 0.10 -3.42 0.00 0.00 -2.27 0.00 0.00 64.05 58.46 2iwo n THR 1870Cb 0.52 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2iwo n THR 1870CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2iwo n LYS 1878N 0.01 0.00 -3.55 -0.78 -0.00 -1.26 -4.31 118.16 108.27 2iwo n LYS 1878Ca 0.13 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.09 2iwo n LYS 1878Cb 0.78 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.76 2iwo n LYS 1878CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2iwo s LEU 1879N 0.00 4.36 0.10 -5.58 1.43 -1.26 -5.05 118.68 112.69 2iwo s LEU 1879Ca 0.00 0.84 0.08 0.00 -1.03 0.00 0.00 54.13 54.02 2iwo s LEU 1879Cb 0.00 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 2iwo s LEU 1879CO 0.00 0.18 -0.21 -0.13 0.23 0.00 0.00 176.35 176.42 2iwo s ARG 1880N -1.84 1.12 0.33 1.70 0.52 -1.26 -5.11 118.95 114.41 2iwo s ARG 1880Ca 0.33 -1.17 -0.29 0.00 -0.52 0.00 0.00 55.73 54.07 2iwo s ARG 1880Cb -0.14 -1.37 -0.11 0.00 0.52 0.00 0.00 34.95 33.84 2iwo s ARG 1880CO 0.18 0.32 1.56 0.28 0.02 0.00 0.00 175.30 177.65 2iwo n VAL 1881N 1.04 1.40 -0.07 3.52 0.31 -1.26 -1.86 118.33 121.41 2iwo n VAL 1881Ca -0.19 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 2iwo n VAL 1881Cb 0.54 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 2iwo n VAL 1881CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2iwo n GLY 1882N 1.50 0.78 3.77 2.92 0.00 0.52 -4.79 105.19 109.89 2iwo n GLY 1882Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2iwo n GLY 1882CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2iwo s ASP 1883N -2.67 6.65 -0.12 1.61 1.01 -0.78 -2.40 116.67 119.98 2iwo s ASP 1883Ca 0.00 2.76 -0.17 0.00 0.71 0.00 0.00 52.55 55.85 2iwo s ASP 1883Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 2iwo s ASP 1883CO 0.00 -0.65 0.44 -0.13 0.21 0.00 0.00 175.17 175.04 2iwo s ARG 1884N -1.53 4.29 -0.28 8.23 0.52 0.42 -1.09 118.95 129.52 2iwo s ARG 1884Ca 0.52 0.38 -0.18 0.00 -0.52 0.00 0.00 55.73 55.93 2iwo s ARG 1884Cb -0.42 -3.42 -0.02 0.00 0.52 0.00 0.00 34.95 31.61 2iwo s ARG 1884CO 0.53 0.22 0.53 0.42 0.02 0.00 0.00 175.30 177.02 2iwo s ILE 1885N 0.45 5.04 -0.17 1.52 1.01 -0.23 -1.46 121.20 127.36 2iwo s ILE 1885Ca 0.24 0.82 -0.05 0.00 0.00 0.00 0.00 60.65 61.66 2iwo s ILE 1885Cb -0.15 -3.87 -0.22 0.00 0.01 0.00 0.00 42.46 38.23 2iwo s ILE 1885CO 0.09 0.02 0.14 0.52 0.00 0.00 0.00 174.94 175.72 2iwo n VAL 1886N 5.22 1.67 -4.00 2.92 0.31 0.90 -4.65 118.33 120.69 2iwo n VAL 1886Ca -0.04 -0.59 -0.09 0.00 -0.01 0.00 0.00 64.34 63.61 2iwo n VAL 1886Cb 0.49 -1.65 -0.11 0.00 -0.91 0.00 0.00 33.84 31.67 2iwo n VAL 1886CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2iwo s THR 1887N -2.54 0.18 -0.08 2.52 -4.23 -1.03 -1.41 115.64 109.06 2iwo s THR 1887Ca -0.27 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 2iwo s THR 1887Cb 0.08 -0.46 0.02 0.00 1.34 0.00 0.00 72.50 73.48 2iwo s THR 1887CO 0.70 -0.55 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.54 2iwo s ILE 1888N -1.75 0.77 -1.34 2.99 1.01 -0.46 -1.44 121.20 120.99 2iwo s ILE 1888Ca -0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 2iwo s ILE 1888Cb -0.08 -0.80 0.02 0.00 0.01 0.00 0.00 42.46 41.62 2iwo s ILE 1888CO -0.02 0.30 0.32 0.00 0.00 0.00 0.00 174.94 175.54 2iwo n GLY 1890N -1.14 1.07 3.65 0.00 0.00 -1.26 -5.00 105.19 102.51 2iwo n GLY 1890Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2iwo n GLY 1890CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2iwo s THR 1891N -3.40 4.83 0.43 2.61 2.01 -0.42 -5.07 115.64 116.63 2iwo s THR 1891Ca 0.00 -0.02 -0.25 0.00 0.31 0.00 0.00 61.69 61.72 2iwo s THR 1891Cb 0.00 -3.17 -0.08 0.00 0.01 0.00 0.00 72.50 69.26 2iwo s THR 1891CO 0.00 0.47 1.36 -0.55 -0.69 0.00 0.00 174.62 175.21 2iwo s SER 1892N 0.31 6.05 0.00 3.53 0.15 -1.26 -1.35 113.70 121.12 2iwo s SER 1892Ca 0.04 2.78 0.28 0.00 0.70 0.00 0.00 55.95 59.75 2iwo s SER 1892Cb -0.12 -2.65 1.05 0.00 -1.71 0.00 0.00 66.02 62.59 2iwo s SER 1892CO 0.00 -1.04 1.75 0.35 1.20 0.00 0.00 173.24 175.49 2iwo n THR 1893N -0.09 0.00 -1.64 6.45 -2.24 -0.50 -4.72 114.28 111.53 2iwo n THR 1893Ca 0.05 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 2iwo n THR 1893Cb 0.43 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 2iwo n THR 1893CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2iwo s GLU 1894N -2.41 3.81 0.00 -0.78 2.56 -1.26 -1.36 118.70 119.26 2iwo s GLU 1894Ca 0.29 2.43 0.00 0.00 0.00 0.00 0.00 54.97 57.69 2iwo s GLU 1894Cb 0.20 -4.24 0.00 0.00 2.00 0.00 0.00 34.13 32.09 2iwo s GLU 1894CO 0.47 -1.34 0.00 0.41 -0.56 0.00 0.00 175.26 174.25 2iwo n GLY 1895N 4.95 0.79 3.77 -1.50 0.00 -1.26 -5.01 105.19 106.92 2iwo n GLY 1895Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 2iwo n GLY 1895CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2iwo s MET 1896N -0.05 4.53 0.56 1.61 0.00 -0.46 -4.81 119.30 120.69 2iwo s MET 1896Ca 0.00 1.64 -0.08 0.00 0.00 0.00 0.00 55.69 57.26 2iwo s MET 1896Cb 0.00 -2.99 -0.03 0.00 0.00 0.00 0.00 34.83 31.81 2iwo s MET 1896CO 0.00 0.16 0.92 0.95 0.00 0.00 0.00 175.02 177.04 2iwo s THR 1897N -1.34 4.57 0.18 10.11 -4.23 -1.26 -1.76 115.64 121.92 2iwo s THR 1897Ca 0.48 0.45 -0.13 0.00 -1.18 0.00 0.00 61.69 61.31 2iwo s THR 1897Cb -0.27 -3.79 0.09 0.00 1.34 0.00 0.00 72.50 69.87 2iwo s THR 1897CO 0.35 -0.90 1.74 -0.74 -0.54 0.00 0.00 174.62 174.53 2iwo h HIS 1898N -0.10 0.27 -0.80 3.99 2.76 -1.31 -1.73 115.15 118.24 2iwo h HIS 1898Ca -0.45 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 57.69 2iwo h HIS 1898Cb 1.21 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 30.08 2iwo h HIS 1898CO 0.59 0.08 0.32 1.15 -1.30 0.00 0.00 177.93 178.77 2iwo h THR 1899N 0.32 1.26 -0.89 6.26 2.02 -1.90 -1.81 112.91 118.18 2iwo h THR 1899Ca 0.23 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 2iwo h THR 1899Cb 0.26 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 2iwo h THR 1899CO -0.25 0.34 0.48 1.56 0.37 0.00 0.00 175.52 178.02 2iwo h GLN 1900N 1.16 1.24 -0.25 6.66 4.20 -1.85 -1.39 115.11 124.89 2iwo h GLN 1900Ca 0.27 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 2iwo h GLN 1900Cb 0.22 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2iwo h GLN 1900CO -0.02 0.91 0.04 0.00 -0.67 0.00 0.00 178.83 179.09 2iwo h ALA 1901N 1.28 0.33 -0.25 3.87 0.00 -0.95 -1.03 119.26 122.52 2iwo h ALA 1901Ca 0.31 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2iwo h ALA 1901Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2iwo h ALA 1901CO -0.05 0.01 0.14 0.28 0.00 0.00 0.00 179.25 179.63 2iwo h VAL 1902N 0.22 1.03 -0.35 0.00 2.07 -1.27 -2.15 116.25 115.80 2iwo h VAL 1902Ca 0.07 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 2iwo h VAL 1902Cb 0.33 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2iwo h VAL 1902CO 0.00 0.05 -0.14 0.78 0.02 0.00 0.00 177.57 178.28 2iwo h ASN 1903N 0.30 0.61 -0.46 0.57 2.35 -1.12 0.25 115.58 118.07 2iwo h ASN 1903Ca 0.10 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2iwo h ASN 1903Cb -0.00 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2iwo h ASN 1903CO -0.04 0.78 0.30 0.25 -1.65 0.00 0.00 177.43 177.06 2iwo h LEU 1904N 0.56 0.54 -0.31 1.61 5.85 -0.98 -1.04 115.31 121.54 2iwo h LEU 1904Ca 0.10 -0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.60 2iwo h LEU 1904Cb 0.57 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2iwo h LEU 1904CO 0.04 0.40 -0.85 -0.07 -0.34 0.00 0.00 178.44 177.62 2iwo h LEU 1905N 0.62 0.26 -0.47 2.25 3.38 -0.88 -2.67 115.31 117.80 2iwo h LEU 1905Ca 0.17 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 2iwo h LEU 1905Cb -0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2iwo h LEU 1905CO -0.04 0.99 -0.31 0.11 0.09 0.00 0.00 178.44 179.28 2iwo h LYS 1906N 0.11 0.93 0.00 1.13 1.57 -0.78 -3.23 116.57 116.30 2iwo h LYS 1906Ca -0.04 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2iwo h LYS 1906Cb 1.47 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.77 2iwo h LYS 1906CO 0.13 1.10 -0.35 0.09 -0.57 0.00 0.00 179.45 179.85 2iwo n ASN 1907N -4.08 0.61 -4.81 0.86 3.02 -0.41 -4.91 115.26 105.54 2iwo n ASN 1907Ca -0.01 0.24 -0.32 0.00 -0.03 0.00 0.00 54.58 54.46 2iwo n ASN 1907Cb 0.50 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 2iwo n ASN 1907CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2iwo s ALA 1908N -3.10 2.82 0.32 5.41 0.00 -1.01 -5.07 121.76 121.14 2iwo s ALA 1908Ca 0.09 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.42 2iwo s ALA 1908Cb 0.14 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 2iwo s ALA 1908CO 0.66 -0.68 0.17 -1.54 0.00 0.00 0.00 175.76 174.37 2iwo s SER 1909N -2.89 1.78 1.48 0.00 1.04 -1.26 -5.02 113.70 108.82 2iwo s SER 1909Ca 0.62 -1.60 0.00 0.00 0.48 0.00 0.00 55.95 55.46 2iwo s SER 1909Cb -0.14 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2iwo s SER 1909CO 0.36 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2iwo n GLY 1910N -0.64 3.28 3.71 7.32 0.00 -1.26 -4.44 105.19 113.15 2iwo n GLY 1910Ca 0.01 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2iwo n GLY 1910CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2iwo s SER 1911N -4.00 6.36 -0.26 1.61 1.04 -1.26 -4.46 113.70 112.73 2iwo s SER 1911Ca 0.00 0.42 -0.06 0.00 0.48 0.00 0.00 55.95 56.79 2iwo s SER 1911Cb 0.00 -2.17 -0.01 0.00 0.10 0.00 0.00 66.02 63.95 2iwo s SER 1911CO 0.00 0.08 0.05 -0.63 0.98 0.00 0.00 173.24 173.72 2iwo s ILE 1912N 0.65 3.95 0.17 -1.02 1.01 0.12 -4.85 121.20 121.24 2iwo s ILE 1912Ca 0.15 -0.48 -0.24 0.00 0.00 0.00 0.00 60.65 60.07 2iwo s ILE 1912Cb -0.13 -2.93 -0.08 0.00 0.01 0.00 0.00 42.46 39.33 2iwo s ILE 1912CO 0.04 0.24 0.76 -0.70 0.00 0.00 0.00 174.94 175.27 2iwo s GLU 1913N 1.53 4.50 -0.00 2.79 2.56 -1.26 -0.61 118.70 128.21 2iwo s GLU 1913Ca 0.04 1.09 -0.01 0.00 0.00 0.00 0.00 54.97 56.10 2iwo s GLU 1913Cb -0.16 -3.18 -0.00 0.00 2.00 0.00 0.00 34.13 32.78 2iwo s GLU 1913CO 0.02 0.54 0.01 1.41 -0.56 0.00 0.00 175.26 176.67 2iwo s MET 1914N -1.31 0.08 -0.07 4.30 0.00 -0.34 -0.25 119.30 121.71 2iwo s MET 1914Ca 0.37 -0.11 0.04 0.00 0.00 0.00 0.00 55.69 56.00 2iwo s MET 1914Cb -0.22 0.03 -0.01 0.00 0.00 0.00 0.00 34.83 34.63 2iwo s MET 1914CO 0.25 -0.01 -0.20 -0.65 0.00 0.00 0.00 175.02 174.40 2iwo s GLN 1915N -0.29 2.74 0.14 4.11 -0.21 -0.52 -0.94 119.66 124.68 2iwo s GLN 1915Ca -0.03 -0.82 0.03 0.00 0.02 0.00 0.00 55.36 54.56 2iwo s GLN 1915Cb -0.02 -2.31 -0.04 0.00 1.00 0.00 0.00 33.01 31.64 2iwo s GLN 1915CO -0.00 0.38 -0.07 0.14 -2.12 0.00 0.00 175.29 173.62 2iwo s VAL 1916N -0.14 0.93 0.16 1.09 -7.23 0.50 -0.07 120.40 115.63 2iwo s VAL 1916Ca -0.03 -2.01 0.06 0.00 -1.81 0.00 0.00 61.98 58.19 2iwo s VAL 1916Cb -0.14 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 2iwo s VAL 1916CO 0.04 -0.73 -0.13 0.68 -0.31 0.00 0.00 175.10 174.65 2iwo s VAL 1917N -3.48 1.41 0.27 1.32 -7.23 -0.54 -0.70 120.40 111.47 2iwo s VAL 1917Ca 0.17 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 2iwo s VAL 1917Cb 0.04 -1.84 -0.11 0.00 0.56 0.00 0.00 36.38 35.04 2iwo s VAL 1917CO -0.00 -0.61 1.49 0.00 -0.31 0.00 0.00 175.10 175.67 2iwo s ALA 1918N -2.89 3.66 -0.05 1.32 0.00 -1.26 -0.44 121.76 122.10 2iwo s ALA 1918Ca 0.17 1.42 0.03 0.00 0.00 0.00 0.00 51.96 53.58 2iwo s ALA 1918Cb -0.01 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 2iwo s ALA 1918CO 0.03 -0.84 -0.01 0.41 0.00 0.00 0.00 175.76 175.36 2iwo n GLY 1919N 2.03 -0.17 2.71 0.00 0.00 -1.01 -4.66 105.19 104.08 2iwo n GLY 1919Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2iwo n GLY 1919CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iwo n GLY 1920N 2.89 0.70 0.26 -0.02 0.00 -1.20 -4.92 105.19 102.90 2iwo n GLY 1920Ca -0.08 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.10 2iwo n GLY 1920CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2iwo h ASP 1921N 0.00 0.00 -3.27 1.61 3.32 -1.94 -3.41 116.42 112.73 2iwo h ASP 1921Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 2iwo h ASP 1921Cb 0.05 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 39.23 2iwo h ASP 1921CO 0.00 0.02 -0.79 -0.69 -1.72 0.00 0.00 179.24 176.07 2iwo s VAL 1922N -3.59 0.76 -0.36 -1.35 1.01 -1.26 -4.98 120.40 110.63 2iwo s VAL 1922Ca 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2iwo s VAL 1922Cb 0.08 -0.82 0.07 0.00 0.00 0.00 0.00 36.38 35.72 2iwo s VAL 1922CO 0.57 0.31 0.12 -0.55 0.00 0.00 0.00 175.10 175.56 2iwo s SER 1923N 1.58 5.21 0.11 3.32 0.15 -1.26 -4.57 113.70 118.24 2iwo s SER 1923Ca 0.01 -1.49 0.07 0.00 0.70 0.00 0.00 55.95 55.23 2iwo s SER 1923Cb -0.13 -1.83 -0.04 0.00 -1.71 0.00 0.00 66.02 62.31 2iwo s SER 1923CO -0.05 -0.40 -0.06 -1.83 1.20 0.00 0.00 173.24 172.10 2iwo s GLU 1924N 1.28 2.27 -0.02 5.44 -1.05 -1.26 -5.13 118.70 120.23 2iwo s GLU 1924Ca 0.01 -1.00 0.01 0.00 -0.15 0.00 0.00 54.97 53.84 2iwo s GLU 1924Cb -0.21 -2.37 0.01 0.00 -0.44 0.00 0.00 34.13 31.13 2iwo s GLU 1924CO -0.01 0.51 -0.02 0.99 0.95 0.00 0.00 175.26 177.68 2iwo s THR 1925N -1.33 0.29 0.14 1.83 2.01 -1.26 -5.14 115.64 112.19 2iwo s THR 1925Ca 0.24 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 2iwo s THR 1925Cb -0.11 -0.32 -0.07 0.00 0.01 0.00 0.00 72.50 72.01 2iwo s THR 1925CO 0.16 0.14 1.12 -0.44 -0.69 0.00 0.00 174.62 174.90 2iwo s SER 1926N 0.57 7.22 0.00 3.53 0.01 -1.26 -5.34 113.70 118.43 2iwo s SER 1926Ca -0.06 2.04 0.00 0.00 1.31 0.00 0.00 55.95 59.24 2iwo s SER 1926Cb -0.09 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2iwo s SER 1926CO -0.01 -0.29 0.26 1.33 0.41 0.00 0.00 173.24 174.94