#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a49 s GLN 1813N 0.00 0.98 0.45 0.38 -0.21 -1.26 -4.92 119.66 115.09 1a49 s GLN 1813Ca 0.00 1.30 0.08 0.00 0.02 0.00 0.00 55.36 56.76 1a49 s GLN 1813Cb 0.00 -1.74 0.03 0.00 1.00 0.00 0.00 33.01 32.29 1a49 s GLN 1813CO 0.00 -2.57 0.60 0.99 -2.12 0.00 0.00 175.29 172.19 1a49 s THR 1814N -2.70 2.77 -1.41 -0.19 2.01 -1.26 -4.31 115.64 110.54 1a49 s THR 1814Ca 0.66 -1.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.51 1a49 s THR 1814Cb -0.22 -2.80 0.09 0.00 0.01 0.00 0.00 72.50 69.58 1a49 s THR 1814CO 0.58 0.00 0.64 0.00 -0.69 0.00 0.00 174.62 175.15 1a49 n GLN 1815N -1.91 -3.78 -3.63 4.92 6.02 -0.90 0.40 117.38 118.50 1a49 n GLN 1815Ca 0.09 0.49 -0.27 0.00 -0.01 0.00 0.00 57.00 57.31 1a49 n GLN 1815Cb 0.60 -5.25 -0.02 0.00 1.02 0.00 0.00 30.24 26.59 1a49 n GLN 1815CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1a49 n GLN 1816N -4.02 -2.94 0.25 -1.09 1.13 -1.26 -4.77 117.38 104.67 1a49 n GLN 1816Ca 0.01 0.36 0.14 0.00 -1.94 0.00 0.00 57.00 55.57 1a49 n GLN 1816Cb 0.53 -5.04 0.59 0.00 0.11 0.00 0.00 30.24 26.44 1a49 n GLN 1816CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1a49 h LEU 1817N -0.98 0.00 0.03 1.08 3.38 -0.36 0.17 115.31 118.64 1a49 h LEU 1817Ca -0.45 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1a49 h LEU 1817Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1a49 h LEU 1817CO 0.59 0.11 -0.02 -0.74 0.09 0.00 0.00 178.44 178.47 1a49 h HIS 1818N 0.00 -0.04 0.00 1.13 2.76 -1.88 -2.22 115.15 114.90 1a49 h HIS 1818Ca -0.00 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1a49 h HIS 1818Cb 0.60 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.57 1a49 h HIS 1818CO 0.00 0.45 -0.01 0.00 -1.30 0.00 0.00 177.93 177.07 1a49 h ALA 1819N 0.37 1.48 0.00 5.26 0.00 -1.72 -0.70 119.26 123.95 1a49 h ALA 1819Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a49 h ALA 1819Cb 0.51 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1a49 h ALA 1819CO 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 179.25 179.26 1a49 h ALA 1820N 1.99 1.39 -0.01 0.00 0.00 -0.02 -1.90 119.26 120.71 1a49 h ALA 1820Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a49 h ALA 1820Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1a49 h ALA 1820CO 0.00 0.02 -0.19 -1.33 0.00 0.00 0.00 179.25 177.75 1a49 n MET 1821N -3.67 1.10 -1.57 0.00 2.81 -0.27 -4.76 117.12 110.76 1a49 n MET 1821Ca -0.03 -0.65 -0.37 0.00 -1.81 0.00 0.00 57.70 54.84 1a49 n MET 1821Cb 0.10 -1.49 0.06 0.00 -0.71 0.00 0.00 33.22 31.18 1a49 n MET 1821CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a49 n ALA 1822N -0.38 -0.09 -0.06 3.04 0.00 -0.71 -4.90 120.51 117.41 1a49 n ALA 1822Ca 0.14 -0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.45 1a49 n ALA 1822Cb 0.36 -2.07 -0.15 0.00 0.00 0.00 0.00 19.45 17.59 1a49 n ALA 1822CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a49 n ASP 1823N -0.72 0.56 -4.44 0.00 8.00 -1.26 -4.92 116.55 113.76 1a49 n ASP 1823Ca 0.14 0.21 -0.25 0.00 0.71 0.00 0.00 54.79 55.60 1a49 n ASP 1823Cb 0.48 0.37 -0.11 0.00 -0.02 0.00 0.00 41.12 41.85 1a49 n ASP 1823CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1a49 s THR 1824N -2.55 2.38 0.15 -3.53 -1.32 -1.26 -5.03 115.64 104.49 1a49 s THR 1824Ca -0.08 -2.25 -0.14 0.00 -1.21 0.00 0.00 61.69 58.00 1a49 s THR 1824Cb 0.07 -2.21 0.03 0.00 -1.51 0.00 0.00 72.50 68.88 1a49 s THR 1824CO 0.82 -0.30 1.72 0.15 -2.21 0.00 0.00 174.62 174.80 1a49 h PHE 1825N 2.65 0.71 -0.42 9.09 3.57 -1.98 0.39 116.94 130.95 1a49 h PHE 1825Ca -0.42 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.10 1a49 h PHE 1825Cb 1.24 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.71 1a49 h PHE 1825CO 0.76 0.57 0.12 1.25 -2.23 0.00 0.00 178.31 178.77 1a49 h LEU 1826N 0.64 0.08 -0.57 0.59 5.85 -2.00 -0.99 115.31 118.90 1a49 h LEU 1826Ca 0.16 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1a49 h LEU 1826Cb 0.14 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1a49 h LEU 1826CO -0.02 0.08 0.24 -0.08 -0.34 0.00 0.00 178.44 178.33 1a49 h GLU 1827N 0.26 0.85 -0.37 1.25 4.81 -1.85 -1.64 114.58 117.89 1a49 h GLU 1827Ca 0.20 -0.14 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1a49 h GLU 1827Cb 0.22 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 1a49 h GLU 1827CO -0.23 0.72 -0.07 1.25 -0.73 0.00 0.00 179.01 179.94 1a49 h HIS 1828N 0.79 -0.15 -0.36 0.92 2.76 0.50 -1.46 115.15 118.15 1a49 h HIS 1828Ca 0.19 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.45 1a49 h HIS 1828Cb 0.17 0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.21 1a49 h HIS 1828CO 0.01 -0.14 0.05 0.52 -1.30 0.00 0.00 177.93 177.07 1a49 h MET 1829N 0.02 0.16 0.00 5.26 2.86 -0.66 -2.18 114.93 120.39 1a49 h MET 1829Ca 0.18 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1a49 h MET 1829Cb 0.27 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1a49 h MET 1829CO -0.36 0.11 -0.08 0.00 1.06 0.00 0.00 176.91 177.63 1a49 n ARG 1831N -4.00 2.02 -2.06 0.00 1.74 -0.62 -4.91 116.66 108.83 1a49 n ARG 1831Ca -0.02 -1.53 -0.42 0.00 -0.77 0.00 0.00 57.85 55.11 1a49 n ARG 1831Cb 0.17 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 1a49 n ARG 1831CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a49 s LEU 1832N -1.58 4.38 -0.13 0.55 1.43 -0.90 -4.36 118.68 118.06 1a49 s LEU 1832Ca 0.34 2.53 -0.00 0.00 -1.03 0.00 0.00 54.13 55.97 1a49 s LEU 1832Cb 0.19 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.84 1a49 s LEU 1832CO 0.28 -0.69 -0.07 -0.62 0.23 0.00 0.00 176.35 175.48 1a49 s ASP 1833N 0.73 2.41 0.15 2.29 2.15 -1.26 -5.00 116.67 118.14 1a49 s ASP 1833Ca 0.63 -0.43 0.13 0.00 0.43 0.00 0.00 52.55 53.31 1a49 s ASP 1833Cb -0.40 -0.87 0.63 0.00 -0.30 0.00 0.00 42.92 41.98 1a49 s ASP 1833CO 0.36 -0.14 1.39 2.30 -0.17 0.00 0.00 175.17 178.91 1a49 n ILE 1834N 4.92 1.39 0.10 4.11 -5.35 -1.26 -1.06 119.36 122.21 1a49 n ILE 1834Ca -0.12 0.53 0.11 0.00 -0.27 0.00 0.00 62.75 63.00 1a49 n ILE 1834Cb 0.49 -1.50 0.22 0.00 -1.74 0.00 0.00 39.64 37.12 1a49 n ILE 1834CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1a49 n ASP 1835N -1.87 3.44 -4.42 7.28 8.00 -1.26 -4.78 116.55 122.94 1a49 n ASP 1835Ca 0.00 -1.96 -0.44 0.00 0.71 0.00 0.00 54.79 53.10 1a49 n ASP 1835Cb 0.06 -0.29 -0.06 0.00 -0.02 0.00 0.00 41.12 40.80 1a49 n ASP 1835CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1a49 s SER 1836N -1.29 6.20 0.15 -2.24 0.15 -0.22 -4.91 113.70 111.54 1a49 s SER 1836Ca 0.38 -1.13 -0.30 0.00 0.70 0.00 0.00 55.95 55.60 1a49 s SER 1836Cb 0.21 -2.26 -0.07 0.00 -1.71 0.00 0.00 66.02 62.19 1a49 s SER 1836CO 0.29 -0.85 1.07 0.00 1.20 0.00 0.00 173.24 174.95 1a49 s ALA 1837N 2.33 3.34 1.29 5.45 0.00 -1.26 -4.55 121.76 128.36 1a49 s ALA 1837Ca 0.11 0.76 -0.21 0.00 0.00 0.00 0.00 51.96 52.62 1a49 s ALA 1837Cb -0.22 -3.34 0.32 0.00 0.00 0.00 0.00 23.12 19.88 1a49 s ALA 1837CO 0.09 -0.18 1.06 -1.25 0.00 0.00 0.00 175.76 175.48 1a49 s PRO 1838N -0.17 -1.88 0.52 0.00 0.04 -1.26 -2.12 135.00 130.14 1a49 s PRO 1838Ca 0.49 -0.08 0.02 0.00 0.04 0.00 0.00 61.00 61.47 1a49 s PRO 1838Cb -0.28 -1.52 0.03 0.00 0.04 0.00 0.00 34.50 32.77 1a49 s PRO 1838CO 0.33 -4.14 0.74 0.96 0.04 0.00 0.00 177.00 174.93 1a49 s ILE 1839N -2.81 2.91 0.06 0.56 -4.36 -1.26 -4.78 121.20 111.51 1a49 s ILE 1839Ca 0.71 -0.67 -0.29 0.00 -0.26 0.00 0.00 60.65 60.13 1a49 s ILE 1839Cb -0.09 -3.08 -0.18 0.00 1.25 0.00 0.00 42.46 40.36 1a49 s ILE 1839CO 0.56 -0.05 1.52 0.74 0.24 0.00 0.00 174.94 177.96 1a49 h THR 1840N 0.18 0.50 -1.77 8.37 2.02 -1.95 -3.44 112.91 116.82 1a49 h THR 1840Ca -0.43 -0.16 -0.67 0.00 0.77 0.00 0.00 66.41 65.93 1a49 h THR 1840Cb 1.29 0.58 0.05 0.00 -1.74 0.00 0.00 68.15 68.32 1a49 h THR 1840CO 0.52 0.03 0.60 0.00 0.37 0.00 0.00 175.52 177.04 1a49 n ALA 1841N -2.43 -0.42 -3.70 6.16 0.00 -1.26 -4.99 120.51 113.88 1a49 n ALA 1841Ca -0.12 0.48 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 1a49 n ALA 1841Cb 0.29 -2.16 -0.15 0.00 0.00 0.00 0.00 19.45 17.44 1a49 n ALA 1841CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1a49 s ARG 1842N 1.11 3.16 0.12 0.00 3.00 -1.26 -4.91 118.95 120.18 1a49 s ARG 1842Ca 0.86 -0.75 0.08 0.00 -1.00 0.00 0.00 55.73 54.92 1a49 s ARG 1842Cb -0.92 -2.90 -0.18 0.00 0.00 0.00 0.00 34.95 30.95 1a49 s ARG 1842CO 0.48 -0.25 1.24 -0.91 0.00 0.00 0.00 175.30 175.86 1a49 h ASN 1843N 8.05 0.00 -3.27 -2.12 -0.26 -1.94 -3.46 115.58 112.58 1a49 h ASN 1843Ca -0.41 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 54.78 1a49 h ASN 1843Cb 1.14 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.37 1a49 h ASN 1843CO 0.61 0.94 0.55 -0.89 -1.06 0.00 0.00 177.43 177.58 1a49 s THR 1844N -2.73 4.78 0.31 2.81 2.01 -1.26 -0.42 115.64 121.15 1a49 s THR 1844Ca 0.01 2.04 -0.29 0.00 0.31 0.00 0.00 61.69 63.76 1a49 s THR 1844Cb 0.10 -4.31 -0.10 0.00 0.01 0.00 0.00 72.50 68.20 1a49 s THR 1844CO 0.81 0.02 1.17 -0.83 -0.69 0.00 0.00 174.62 175.11 1a49 s GLY 1845N 1.09 3.02 -0.25 4.40 0.00 -0.77 -4.86 107.32 109.95 1a49 s GLY 1845Ca 0.49 1.02 -0.06 0.00 0.00 0.00 0.00 44.72 46.16 1a49 s GLY 1845CO 0.19 1.62 0.04 -0.42 0.00 0.00 0.00 173.10 174.53 1a49 s ILE 1846N -1.19 3.94 -0.23 0.90 1.01 -1.26 -1.06 121.20 123.31 1a49 s ILE 1846Ca 0.47 -0.39 -0.06 0.00 0.00 0.00 0.00 60.65 60.68 1a49 s ILE 1846Cb -0.34 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 1a49 s ILE 1846CO 0.44 0.31 0.02 -0.63 0.00 0.00 0.00 174.94 175.08 1a49 s ILE 1847N 1.55 3.95 -0.12 2.92 1.01 -0.91 0.78 121.20 130.39 1a49 s ILE 1847Ca 0.05 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.41 1a49 s ILE 1847Cb -0.15 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 1a49 s ILE 1847CO 0.01 0.39 -0.15 0.00 0.00 0.00 0.00 174.94 175.19 1a49 s THR 1849N 0.25 4.52 -0.07 0.00 2.01 -0.55 0.11 115.64 121.90 1a49 s THR 1849Ca -0.10 1.81 -0.14 0.00 0.31 0.00 0.00 61.69 63.57 1a49 s THR 1849Cb -0.16 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.14 1a49 s THR 1849CO 0.06 -0.03 0.36 -0.63 -0.69 0.00 0.00 174.62 173.69 1a49 s ILE 1850N 2.33 5.18 0.00 1.82 -1.09 0.15 -3.22 121.20 126.37 1a49 s ILE 1850Ca 0.51 0.71 0.00 0.00 -2.23 0.00 0.00 60.65 59.64 1a49 s ILE 1850Cb -0.21 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1a49 s ILE 1850CO 0.18 0.50 0.00 0.61 -1.23 0.00 0.00 174.94 175.00 1a49 n GLY 1851N 2.45 3.39 0.29 6.18 0.00 -1.25 -4.77 105.19 111.47 1a49 n GLY 1851Ca -0.13 -0.80 0.09 0.00 0.00 0.00 0.00 46.02 45.18 1a49 n GLY 1851CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a49 h PRO 1852N 0.00 0.28 0.00 1.61 0.11 -1.74 1.23 132.00 133.48 1a49 h PRO 1852Ca 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1a49 h PRO 1852Cb 0.00 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 1a49 h PRO 1852CO 0.00 0.19 -0.03 0.00 -0.21 0.00 0.00 178.00 177.94 1a49 h ALA 1853N 1.67 0.99 -0.00 -0.75 0.00 -0.10 -3.32 119.26 117.74 1a49 h ALA 1853Ca 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1a49 h ALA 1853Cb 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1a49 h ALA 1853CO -0.54 0.04 -0.01 -1.13 0.00 0.00 0.00 179.25 177.61 1a49 n SER 1854N -3.12 0.47 0.15 0.00 3.41 0.29 -4.78 113.62 110.04 1a49 n SER 1854Ca 0.02 -0.73 0.09 0.00 -0.26 0.00 0.00 58.87 57.98 1a49 n SER 1854Cb 0.42 0.56 0.59 0.00 -0.26 0.00 0.00 64.21 65.52 1a49 n SER 1854CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1a49 h ARG 1855N 0.04 0.15 -7.05 4.33 3.08 0.13 -3.37 114.38 111.69 1a49 h ARG 1855Ca 0.00 -0.01 -0.55 0.00 0.07 0.00 0.00 59.98 59.49 1a49 h ARG 1855Cb 0.02 -0.03 0.14 0.00 0.08 0.00 0.00 29.97 30.18 1a49 h ARG 1855CO 0.00 0.10 0.61 -1.13 -1.07 0.00 0.00 179.97 178.47 1a49 n SER 1856N -4.50 2.67 0.20 7.04 3.41 -1.26 -4.78 113.62 116.40 1a49 n SER 1856Ca 0.00 0.96 -0.15 0.00 -0.26 0.00 0.00 58.87 59.43 1a49 n SER 1856Cb 0.15 -1.58 -0.07 0.00 -0.26 0.00 0.00 64.21 62.45 1a49 n SER 1856CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1a49 h VAL 1857N 1.34 0.55 -0.49 -3.33 2.07 -1.89 0.48 116.25 114.98 1a49 h VAL 1857Ca -0.51 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.11 1a49 h VAL 1857Cb 1.31 0.55 -0.10 0.00 -1.52 0.00 0.00 31.29 31.53 1a49 h VAL 1857CO 0.57 0.00 -0.22 -0.08 0.02 0.00 0.00 177.57 177.85 1a49 h GLU 1858N -0.52 -0.11 0.29 1.57 4.81 -1.96 0.36 114.58 119.01 1a49 h GLU 1858Ca -0.03 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1a49 h GLU 1858Cb 0.44 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1a49 h GLU 1858CO 0.02 -0.07 -0.14 1.15 -0.73 0.00 0.00 179.01 179.24 1a49 h THR 1859N -0.11 0.74 -0.74 0.32 2.02 -1.85 -1.24 112.91 112.04 1a49 h THR 1859Ca 0.23 -0.15 0.21 0.00 0.77 0.00 0.00 66.41 67.47 1a49 h THR 1859Cb 0.47 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1a49 h THR 1859CO -0.57 0.03 0.57 -0.07 0.37 0.00 0.00 175.52 175.86 1a49 h LEU 1860N -0.46 0.00 -0.62 2.58 4.07 0.48 1.40 115.31 122.75 1a49 h LEU 1860Ca -0.04 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.77 1a49 h LEU 1860Cb 0.35 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1a49 h LEU 1860CO 0.06 0.00 -0.61 0.11 -1.08 0.00 0.00 178.44 176.93 1a49 h LYS 1861N 0.00 0.28 -0.15 1.13 1.57 0.24 -2.78 116.57 116.85 1a49 h LYS 1861Ca 0.35 -0.19 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 1a49 h LYS 1861Cb 1.49 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.82 1a49 h LYS 1861CO -0.00 0.80 -0.56 0.93 -0.57 0.00 0.00 179.45 180.05 1a49 h GLU 1862N 0.20 0.47 -0.15 3.15 4.39 0.24 -2.89 114.58 119.99 1a49 h GLU 1862Ca -0.01 -0.30 -0.20 0.00 0.34 0.00 0.00 59.36 59.19 1a49 h GLU 1862Cb 1.12 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1a49 h GLU 1862CO 0.10 0.90 -0.72 0.52 -1.16 0.00 0.00 179.01 178.64 1a49 h MET 1863N 0.36 0.68 -0.09 2.33 2.86 -1.14 -1.03 114.93 118.90 1a49 h MET 1863Ca 0.00 -0.53 0.03 0.00 -2.06 0.00 0.00 59.70 57.14 1a49 h MET 1863Cb 1.09 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.82 1a49 h MET 1863CO 0.10 1.15 -0.10 0.82 1.06 0.00 0.00 176.91 179.94 1a49 h ILE 1864N 0.48 0.72 -1.01 -1.22 2.04 -1.50 0.99 117.51 118.01 1a49 h ILE 1864Ca -0.04 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1a49 h ILE 1864Cb 1.33 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 1a49 h ILE 1864CO 0.14 0.00 0.67 0.11 0.00 0.00 0.00 178.15 179.07 1a49 h LYS 1865N -0.13 1.31 0.00 2.37 1.57 -1.32 -1.18 116.57 119.18 1a49 h LYS 1865Ca 0.07 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1a49 h LYS 1865Cb 0.23 -0.30 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1a49 h LYS 1865CO -0.17 0.87 -0.07 0.77 -0.57 0.00 0.00 179.45 180.28 1a49 h SER 1866N 1.35 0.00 0.00 0.86 0.02 -0.89 -3.47 113.55 111.42 1a49 h SER 1866Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1a49 h SER 1866Cb -0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1a49 h SER 1866CO -0.09 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.28 1a49 n GLY 1867N -0.01 -0.01 3.71 -3.77 0.00 -0.21 -4.41 105.19 100.48 1a49 n GLY 1867Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1a49 n GLY 1867CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a49 n MET 1868N 0.00 2.65 -0.10 1.61 0.00 0.17 -4.55 117.12 116.91 1a49 n MET 1868Ca 0.00 0.95 -0.12 0.00 -0.00 0.00 0.00 57.70 58.54 1a49 n MET 1868Cb 0.00 -2.79 -0.12 0.00 0.00 0.00 0.00 33.22 30.31 1a49 n MET 1868CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1a49 n ASN 1869N 3.92 1.42 -3.92 6.12 4.13 0.23 -4.67 115.26 122.48 1a49 n ASN 1869Ca 0.16 -0.05 -0.19 0.00 1.68 0.00 0.00 54.58 56.17 1a49 n ASN 1869Cb 0.34 0.35 -0.16 0.00 -1.54 0.00 0.00 39.78 38.77 1a49 n ASN 1869CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1a49 s VAL 1870N -2.43 0.57 -0.21 2.41 1.01 -1.11 -1.19 120.40 119.45 1a49 s VAL 1870Ca -0.18 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 1a49 s VAL 1870Cb 0.06 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1a49 s VAL 1870CO 0.62 0.22 0.46 0.00 0.00 0.00 0.00 175.10 176.40 1a49 s ALA 1871N 0.63 3.55 -0.18 5.51 0.00 0.48 -0.96 121.76 130.80 1a49 s ALA 1871Ca -0.09 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.32 1a49 s ALA 1871Cb -0.12 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 1a49 s ALA 1871CO 0.00 -0.44 0.03 0.50 0.00 0.00 0.00 175.76 175.86 1a49 s ARG 1872N 1.62 3.88 -0.16 0.00 3.52 0.30 -1.12 118.95 126.99 1a49 s ARG 1872Ca 0.21 -0.40 0.01 0.00 -0.13 0.00 0.00 55.73 55.43 1a49 s ARG 1872Cb -0.15 -3.13 0.01 0.00 -1.56 0.00 0.00 34.95 30.12 1a49 s ARG 1872CO 0.09 0.26 -0.19 -1.64 -0.81 0.00 0.00 175.30 173.01 1a49 s MET 1873N 0.39 3.08 -0.44 5.12 -1.94 -0.37 0.33 119.30 125.47 1a49 s MET 1873Ca 0.01 -0.81 -0.13 0.00 -1.71 0.00 0.00 55.69 53.05 1a49 s MET 1873Cb -0.13 -2.56 0.06 0.00 2.01 0.00 0.00 34.83 34.22 1a49 s MET 1873CO 0.01 -0.07 0.32 1.21 -0.01 0.00 0.00 175.02 176.48 1a49 s ASN 1874N 0.99 5.93 0.00 3.03 3.84 -1.26 0.30 114.94 127.77 1a49 s ASN 1874Ca -0.02 -1.31 0.04 0.00 0.21 0.00 0.00 52.86 51.79 1a49 s ASN 1874Cb -0.15 -2.10 0.27 0.00 -0.55 0.00 0.00 41.25 38.72 1a49 s ASN 1874CO -0.05 -0.56 0.76 0.49 -2.79 0.00 0.00 177.10 174.95 1a49 n PHE 1875N 5.08 0.00 0.39 0.43 3.01 0.90 -1.60 117.46 125.68 1a49 n PHE 1875Ca -0.11 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.47 1a49 n PHE 1875Cb 0.44 0.00 0.24 0.00 -0.01 0.00 0.00 39.48 40.15 1a49 n PHE 1875CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1a49 h SER 1876N 0.00 0.00 -2.46 4.37 0.02 -1.82 -3.43 113.55 110.23 1a49 h SER 1876Ca 0.00 -0.02 -0.62 0.00 -0.84 0.00 0.00 61.79 60.31 1a49 h SER 1876Cb 0.00 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.39 1a49 h SER 1876CO 0.00 0.01 -0.77 -1.00 -1.14 0.00 0.00 176.83 173.93 1a49 s HIS 1877N -3.18 2.33 0.00 3.45 3.76 -0.62 -4.96 115.29 116.06 1a49 s HIS 1877Ca 0.08 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 1a49 s HIS 1877Cb 0.09 -1.05 0.00 0.00 1.11 0.00 0.00 32.58 32.73 1a49 s HIS 1877CO 0.66 0.66 0.00 0.41 -0.85 0.00 0.00 174.74 175.61 1a49 n GLY 1878N -0.41 0.41 3.37 -2.22 0.00 -1.26 -4.84 105.19 100.23 1a49 n GLY 1878Ca -0.07 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 1a49 n GLY 1878CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a49 s THR 1879N 0.00 0.06 0.26 2.61 -4.23 -1.26 -4.99 115.64 108.09 1a49 s THR 1879Ca 0.00 -1.19 -0.01 0.00 -1.18 0.00 0.00 61.69 59.31 1a49 s THR 1879Cb 0.00 -1.71 0.24 0.00 1.34 0.00 0.00 72.50 72.37 1a49 s THR 1879CO 0.00 -0.29 1.76 0.45 -0.54 0.00 0.00 174.62 176.00 1a49 h HIS 1880N 2.47 0.75 -0.07 3.99 -0.00 -1.98 0.39 115.15 120.71 1a49 h HIS 1880Ca -0.31 0.03 -0.18 0.00 -0.00 0.00 0.00 60.37 59.91 1a49 h HIS 1880Cb 1.23 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.43 1a49 h HIS 1880CO 0.39 0.17 -0.72 1.05 -0.00 0.00 0.00 177.93 178.82 1a49 h GLU 1881N 0.61 0.34 -0.57 2.45 4.11 -1.98 0.95 114.58 120.49 1a49 h GLU 1881Ca 0.46 -0.28 0.07 0.00 0.07 0.00 0.00 59.36 59.67 1a49 h GLU 1881Cb 0.65 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 1a49 h GLU 1881CO -0.36 0.92 0.26 -0.92 0.07 0.00 0.00 179.01 178.98 1a49 h TYR 1882N 0.23 0.47 -0.19 2.06 3.20 -0.81 0.13 116.97 122.07 1a49 h TYR 1882Ca -0.03 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.66 1a49 h TYR 1882Cb 1.29 -0.12 0.01 0.00 1.54 0.00 0.00 36.73 39.44 1a49 h TYR 1882CO 0.04 0.19 -0.69 0.45 -1.64 0.00 0.00 178.16 176.51 1a49 h HIS 1883N 0.48 1.05 0.00 -3.82 3.86 -0.09 -2.31 115.15 114.32 1a49 h HIS 1883Ca 0.27 -0.44 -0.04 0.00 -1.16 0.00 0.00 60.37 59.00 1a49 h HIS 1883Cb 0.24 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1a49 h HIS 1883CO -0.12 1.27 -0.18 0.00 0.86 0.00 0.00 177.93 179.75 1a49 h ALA 1884N 0.58 1.59 -0.26 2.45 0.00 0.14 -0.47 119.26 123.30 1a49 h ALA 1884Ca -0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1a49 h ALA 1884Cb 1.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1a49 h ALA 1884CO 0.14 0.22 -0.04 1.49 0.00 0.00 0.00 179.25 181.07 1a49 h GLU 1885N 0.00 0.49 -0.79 0.00 4.57 -0.48 -2.43 114.58 115.95 1a49 h GLU 1885Ca -0.00 -0.18 0.03 0.00 -1.18 0.00 0.00 59.36 58.03 1a49 h GLU 1885Cb 0.34 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.85 1a49 h GLU 1885CO 0.02 0.69 0.51 1.15 -1.18 0.00 0.00 179.01 180.20 1a49 h THR 1886N 0.25 1.14 -0.84 0.32 2.02 -0.89 -1.30 112.91 113.61 1a49 h THR 1886Ca 0.07 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 66.93 1a49 h THR 1886Cb 0.49 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.90 1a49 h THR 1886CO 0.02 0.18 0.55 0.40 0.37 0.00 0.00 175.52 177.05 1a49 h ILE 1887N 1.00 1.16 -0.23 3.11 1.08 -0.97 -1.19 117.51 121.48 1a49 h ILE 1887Ca 0.31 -0.37 -0.19 0.00 -0.39 0.00 0.00 64.86 64.22 1a49 h ILE 1887Cb -0.02 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 33.72 1a49 h ILE 1887CO -0.10 0.20 -0.61 0.50 -0.69 0.00 0.00 178.15 177.45 1a49 h LYS 1888N 1.07 0.76 -0.61 2.37 3.64 -0.88 -1.53 116.57 121.38 1a49 h LYS 1888Ca 0.33 -0.51 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 1a49 h LYS 1888Cb -0.01 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1a49 h LYS 1888CO -0.09 1.14 0.27 -0.91 -2.27 0.00 0.00 179.45 177.59 1a49 h ASN 1889N 0.57 0.82 0.10 4.20 -0.26 -0.66 0.94 115.58 121.29 1a49 h ASN 1889Ca -0.00 -0.15 0.01 0.00 -0.56 0.00 0.00 56.30 55.59 1a49 h ASN 1889Cb 1.20 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 38.24 1a49 h ASN 1889CO 0.13 0.74 -0.12 0.58 -1.06 0.00 0.00 177.43 177.70 1a49 h VAL 1890N 0.85 0.72 -0.62 2.81 2.07 -1.22 0.99 116.25 121.87 1a49 h VAL 1890Ca 0.21 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 1a49 h VAL 1890Cb 0.16 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1a49 h VAL 1890CO -0.02 0.00 0.33 0.03 0.02 0.00 0.00 177.57 177.93 1a49 h ARG 1891N -0.25 0.86 0.72 1.57 3.08 -1.15 0.45 114.38 119.66 1a49 h ARG 1891Ca 0.01 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1a49 h ARG 1891Cb 0.25 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1a49 h ARG 1891CO -0.05 0.66 -0.42 1.15 -1.07 0.00 0.00 179.97 180.24 1a49 h THR 1892N 0.84 0.14 -1.00 2.04 2.02 0.15 -1.01 112.91 116.08 1a49 h THR 1892Ca 0.22 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.58 1a49 h THR 1892Cb 0.06 0.14 -0.10 0.00 -1.74 0.00 0.00 68.15 66.51 1a49 h THR 1892CO -0.03 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.47 1a49 h ALA 1893N -0.87 1.68 0.31 6.16 0.00 0.14 -2.50 119.26 124.18 1a49 h ALA 1893Ca -0.09 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1a49 h ALA 1893Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1a49 h ALA 1893CO 0.11 -0.05 -0.15 1.15 0.00 0.00 0.00 179.25 180.31 1a49 h THR 1894N 0.77 0.71 0.00 0.00 2.02 0.12 -3.22 112.91 113.32 1a49 h THR 1894Ca 0.57 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1a49 h THR 1894Cb 0.88 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1a49 h THR 1894CO -0.37 0.10 0.00 -0.33 0.37 0.00 0.00 175.52 175.29 1a49 h GLU 1895N -0.68 0.00 0.00 6.66 4.39 -0.77 -2.46 114.58 121.72 1a49 h GLU 1895Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1a49 h GLU 1895Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1a49 h GLU 1895CO 0.07 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.79 1a49 n SER 1896N -2.97 0.00 -0.00 1.42 3.41 -0.99 -0.02 113.62 114.47 1a49 n SER 1896Ca -0.02 0.22 0.01 0.00 -0.26 0.00 0.00 58.87 58.83 1a49 n SER 1896Cb 0.13 -0.27 -0.01 0.00 -0.26 0.00 0.00 64.21 63.80 1a49 n SER 1896CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1a49 n PHE 1897N -1.27 0.00 -0.18 7.33 3.72 -0.93 -4.68 117.46 121.45 1a49 n PHE 1897Ca 0.01 0.00 0.30 0.00 -0.05 0.00 0.00 57.45 57.71 1a49 n PHE 1897Cb 0.02 -0.03 0.69 0.00 -0.94 0.00 0.00 39.48 39.22 1a49 n PHE 1897CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a49 h ALA 1898N 0.24 2.80 0.03 4.37 0.00 -0.51 -2.48 119.26 123.71 1a49 h ALA 1898Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1a49 h ALA 1898Cb 0.08 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1a49 h ALA 1898CO 0.00 -1.31 -0.30 1.03 0.00 0.00 0.00 179.25 178.67 1a49 h SER 1899N 0.00 -0.90 -3.16 0.00 0.87 -1.84 -3.37 113.55 105.15 1a49 h SER 1899Ca 0.45 0.10 -0.56 0.00 -1.23 0.00 0.00 61.79 60.54 1a49 h SER 1899Cb 2.10 0.34 -0.04 0.00 -0.44 0.00 0.00 62.40 64.36 1a49 h SER 1899CO -0.00 -0.30 0.66 -0.62 -0.53 0.00 0.00 176.83 176.04 1a49 s ASP 1900N -3.71 7.16 -0.08 6.23 -1.08 -0.93 -4.91 116.67 119.35 1a49 s ASP 1900Ca -0.09 1.57 0.03 0.00 -0.52 0.00 0.00 52.55 53.54 1a49 s ASP 1900Cb 0.03 -2.55 0.21 0.00 -1.46 0.00 0.00 42.92 39.15 1a49 s ASP 1900CO 0.34 -0.54 0.94 -2.65 0.52 0.00 0.00 175.17 173.78 1a49 n PRO 1901N 5.42 1.86 0.00 4.34 -0.02 -1.26 -2.99 135.00 142.34 1a49 n PRO 1901Ca 0.10 -0.83 0.00 0.00 -2.02 0.00 0.00 63.50 60.75 1a49 n PRO 1901Cb 0.47 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1a49 n PRO 1901CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1a49 n ILE 1902N 0.14 0.00 -0.10 4.25 5.41 -1.26 -4.79 119.36 123.01 1a49 n ILE 1902Ca 0.10 -0.03 0.01 0.00 1.00 0.00 0.00 62.75 63.83 1a49 n ILE 1902Cb 0.59 0.37 0.03 0.00 -0.71 0.00 0.00 39.64 39.92 1a49 n ILE 1902CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1a49 n LEU 1903N -0.89 2.17 -4.72 1.39 4.77 -1.21 -4.87 117.00 113.63 1a49 n LEU 1903Ca 0.00 -2.07 -0.42 0.00 -0.03 0.00 0.00 56.01 53.49 1a49 n LEU 1903Cb 0.00 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1a49 n LEU 1903CO 0.00 0.55 0.69 -0.47 -1.33 0.00 0.00 177.39 176.83 1a49 s TYR 1904N -1.13 3.72 -0.27 -1.77 5.04 -1.16 -4.93 117.35 116.85 1a49 s TYR 1904Ca 0.06 1.72 -0.02 0.00 -2.44 0.00 0.00 57.07 56.38 1a49 s TYR 1904Cb 0.04 -3.11 0.03 0.00 0.35 0.00 0.00 41.96 39.26 1a49 s TYR 1904CO 0.03 -0.00 -0.03 1.03 -1.34 0.00 0.00 175.55 175.24 1a49 s ARG 1905N 0.46 2.75 0.26 4.97 1.81 -1.26 -4.99 118.95 122.94 1a49 s ARG 1905Ca 0.50 -1.05 -0.31 0.00 -1.72 0.00 0.00 55.73 53.15 1a49 s ARG 1905Cb -0.23 -3.09 -0.12 0.00 -0.45 0.00 0.00 34.95 31.06 1a49 s ARG 1905CO 0.29 -0.47 1.58 -2.30 -0.68 0.00 0.00 175.30 173.72 1a49 n PRO 1906N 4.68 2.55 -4.21 3.54 -0.02 -1.26 -4.95 135.00 135.33 1a49 n PRO 1906Ca -0.15 0.91 -0.28 0.00 -2.02 0.00 0.00 63.50 61.96 1a49 n PRO 1906Cb 0.46 -2.68 -0.17 0.00 -0.02 0.00 0.00 33.50 31.09 1a49 n PRO 1906CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a49 s VAL 1907N 0.23 1.33 0.44 -1.45 1.01 -1.26 -4.92 120.40 115.79 1a49 s VAL 1907Ca 0.68 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 1a49 s VAL 1907Cb -0.54 -1.26 -0.06 0.00 0.00 0.00 0.00 36.38 34.53 1a49 s VAL 1907CO 0.45 0.41 0.80 0.00 0.00 0.00 0.00 175.10 176.77 1a49 s ALA 1908N 1.27 3.33 -0.09 5.51 0.00 -0.33 -4.92 121.76 126.53 1a49 s ALA 1908Ca -0.02 -0.25 0.04 0.00 0.00 0.00 0.00 51.96 51.73 1a49 s ALA 1908Cb -0.14 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 1a49 s ALA 1908CO -0.05 -0.15 -0.21 0.08 0.00 0.00 0.00 175.76 175.44 1a49 s VAL 1909N -2.53 2.42 -0.01 0.00 1.01 -1.26 -0.38 120.40 119.65 1a49 s VAL 1909Ca 0.51 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1a49 s VAL 1909Cb -0.10 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 1a49 s VAL 1909CO 0.36 0.56 -0.06 0.00 0.00 0.00 0.00 175.10 175.96 1a49 s ALA 1910N 0.04 0.52 -0.20 5.51 0.00 -0.27 -0.73 121.76 126.63 1a49 s ALA 1910Ca -0.08 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 1a49 s ALA 1910Cb -0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1a49 s ALA 1910CO 0.05 0.13 0.09 -1.17 0.00 0.00 0.00 175.76 174.86 1a49 s LEU 1911N -0.13 3.96 -0.19 0.00 0.20 -0.71 -1.23 118.68 120.57 1a49 s LEU 1911Ca 0.02 0.12 -0.04 0.00 0.69 0.00 0.00 54.13 54.93 1a49 s LEU 1911Cb -0.03 -2.02 -0.02 0.00 -0.43 0.00 0.00 46.19 43.70 1a49 s LEU 1911CO -0.00 0.16 -0.04 -0.62 -0.29 0.00 0.00 176.35 175.56 1a49 s ASP 1912N 0.47 4.52 0.75 3.68 -1.08 0.15 -0.21 116.67 124.94 1a49 s ASP 1912Ca 0.05 -0.28 -0.12 0.00 -0.52 0.00 0.00 52.55 51.69 1a49 s ASP 1912Cb -0.12 -1.76 0.04 0.00 -1.46 0.00 0.00 42.92 39.62 1a49 s ASP 1912CO -0.00 0.06 1.11 0.42 0.52 0.00 0.00 175.17 177.28 1a49 s THR 1913N 1.02 3.14 -0.10 1.71 -4.23 -0.69 -0.07 115.64 116.41 1a49 s THR 1913Ca 0.01 0.37 -0.02 0.00 -1.18 0.00 0.00 61.69 60.87 1a49 s THR 1913Cb -0.15 -3.30 -0.01 0.00 1.34 0.00 0.00 72.50 70.38 1a49 s THR 1913CO 0.01 -0.48 0.02 0.11 -0.54 0.00 0.00 174.62 173.74 1a49 h LYS 1914N -0.84 0.00 0.00 3.99 1.57 -1.91 -3.39 116.57 115.99 1a49 h LYS 1914Ca -0.46 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.36 1a49 h LYS 1914Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1a49 h LYS 1914CO 0.63 0.04 -0.04 0.41 -0.57 0.00 0.00 179.45 179.92 1a49 n GLY 1915N 1.76 -1.51 3.18 3.86 0.00 -1.26 -4.14 105.19 107.09 1a49 n GLY 1915Ca -0.01 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1a49 n GLY 1915CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a49 n PRO 1916N -1.41 1.14 -4.42 1.61 -0.04 -1.26 -4.88 135.00 125.75 1a49 n PRO 1916Ca 0.00 -1.62 -0.24 0.00 -0.04 0.00 0.00 63.50 61.60 1a49 n PRO 1916Cb 0.05 -2.80 -0.11 0.00 -0.04 0.00 0.00 33.50 30.61 1a49 n PRO 1916CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1a49 s GLU 1917N 5.44 1.53 -0.18 0.54 -1.05 -1.26 -4.92 118.70 118.79 1a49 s GLU 1917Ca 0.59 -1.61 -0.09 0.00 -0.15 0.00 0.00 54.97 53.71 1a49 s GLU 1917Cb 0.14 -1.66 -0.05 0.00 -0.44 0.00 0.00 34.13 32.12 1a49 s GLU 1917CO 0.17 0.33 0.13 0.42 0.95 0.00 0.00 175.26 177.26 1a49 s ILE 1918N -2.20 5.42 0.01 1.83 1.01 -1.26 -4.93 121.20 121.09 1a49 s ILE 1918Ca 0.24 0.19 0.01 0.00 0.00 0.00 0.00 60.65 61.09 1a49 s ILE 1918Cb -0.06 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 1a49 s ILE 1918CO 0.11 0.49 -0.04 -0.60 0.00 0.00 0.00 174.94 174.90 1a49 s ARG 1919N -0.00 0.30 0.78 2.79 6.06 -1.26 -1.81 118.95 125.81 1a49 s ARG 1919Ca 0.10 -0.39 -0.11 0.00 -2.50 0.00 0.00 55.73 52.83 1a49 s ARG 1919Cb -0.11 -0.13 0.07 0.00 0.06 0.00 0.00 34.95 34.84 1a49 s ARG 1919CO -0.00 0.02 1.13 0.95 -2.50 0.00 0.00 175.30 174.90 1a49 s THR 1920N -0.76 2.10 0.00 4.11 -4.23 -0.35 -0.87 115.64 115.64 1a49 s THR 1920Ca -0.06 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 1a49 s THR 1920Cb -0.06 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1a49 s THR 1920CO -0.00 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1a49 n GLY 1921N -3.20 -0.05 3.90 3.99 0.00 0.74 -3.57 105.19 106.99 1a49 n GLY 1921Ca 0.08 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 1a49 n GLY 1921CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a49 s LEU 1922N 0.00 4.35 -0.35 0.99 1.43 -0.19 -1.62 118.68 123.29 1a49 s LEU 1922Ca 0.00 0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 53.36 1a49 s LEU 1922Cb 0.00 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.43 1a49 s LEU 1922CO 0.00 0.21 0.70 -0.63 0.23 0.00 0.00 176.35 176.86 1a49 s ILE 1923N -1.39 4.83 -1.49 -0.59 -1.09 -1.21 0.23 121.20 120.49 1a49 s ILE 1923Ca 0.30 0.76 -0.01 0.00 -2.23 0.00 0.00 60.65 59.47 1a49 s ILE 1923Cb -0.13 -4.12 0.01 0.00 -1.58 0.00 0.00 42.46 36.64 1a49 s ILE 1923CO 0.20 -0.33 0.25 0.29 -1.23 0.00 0.00 174.94 174.11 1a49 n LYS 1924N 6.17 -2.22 -1.98 2.79 5.02 0.27 0.09 118.16 128.29 1a49 n LYS 1924Ca 0.01 0.26 -0.19 0.00 -2.02 0.00 0.00 58.31 56.37 1a49 n LYS 1924Cb 0.48 -4.13 -0.05 0.00 -0.02 0.00 0.00 35.03 31.32 1a49 n LYS 1924CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a49 n GLY 1925N -2.22 0.66 3.13 0.72 0.00 0.30 -4.99 105.19 102.78 1a49 n GLY 1925Ca -0.30 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 1a49 n GLY 1925CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a49 s SER 1926N -2.33 1.56 0.00 1.61 0.15 0.11 -5.03 113.70 109.77 1a49 s SER 1926Ca 0.00 -0.44 0.29 0.00 0.70 0.00 0.00 55.95 56.50 1a49 s SER 1926Cb 0.00 -0.10 1.27 0.00 -1.71 0.00 0.00 66.02 65.49 1a49 s SER 1926CO 0.00 0.02 1.90 0.61 1.20 0.00 0.00 173.24 176.97 1a49 n GLY 1927N 1.93 -1.10 0.00 9.45 0.00 -1.26 -3.36 105.19 110.84 1a49 n GLY 1927Ca -0.18 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1a49 n GLY 1927CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a49 n THR 1928N -1.13 0.00 -2.66 2.61 -2.24 -1.26 -4.56 114.28 105.04 1a49 n THR 1928Ca 0.13 -0.46 -0.28 0.00 -2.27 0.00 0.00 64.05 61.18 1a49 n THR 1928Cb 0.27 1.06 -0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1a49 n THR 1928CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a49 s ALA 1929N -0.33 3.40 0.21 6.98 0.00 -1.24 -4.94 121.76 125.83 1a49 s ALA 1929Ca 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 51.96 51.41 1a49 s ALA 1929Cb 0.00 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 1a49 s ALA 1929CO 0.00 -0.31 0.30 -1.21 0.00 0.00 0.00 175.76 174.53 1a49 s GLU 1930N -4.64 1.33 0.05 0.00 2.02 -1.26 -3.57 118.70 112.62 1a49 s GLU 1930Ca 0.48 -1.39 -0.01 0.00 0.02 0.00 0.00 54.97 54.06 1a49 s GLU 1930Cb -0.10 0.37 -0.03 0.00 0.10 0.00 0.00 34.13 34.46 1a49 s GLU 1930CO 0.43 -0.49 -0.02 0.54 0.02 0.00 0.00 175.26 175.74 1a49 s VAL 1931N -4.07 0.19 -0.30 2.63 0.11 0.15 -4.94 120.40 114.18 1a49 s VAL 1931Ca 0.28 -1.60 -0.09 0.00 -2.93 0.00 0.00 61.98 57.64 1a49 s VAL 1931Cb 0.03 -1.26 -0.01 0.00 -1.53 0.00 0.00 36.38 33.61 1a49 s VAL 1931CO 0.08 -0.89 0.12 -0.70 -3.33 0.00 0.00 175.10 170.39 1a49 s GLU 1932N -3.42 3.33 0.32 1.54 2.12 -1.26 -0.07 118.70 121.25 1a49 s GLU 1932Ca 0.02 -0.71 -0.21 0.00 0.36 0.00 0.00 54.97 54.43 1a49 s GLU 1932Cb 0.04 -3.48 -0.09 0.00 0.26 0.00 0.00 34.13 30.86 1a49 s GLU 1932CO -0.08 -0.39 0.84 -0.51 -0.54 0.00 0.00 175.26 174.58 1a49 s LEU 1933N 1.59 4.19 -0.08 2.70 1.43 0.21 -4.95 118.68 123.75 1a49 s LEU 1933Ca 0.04 1.57 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 1a49 s LEU 1933Cb -0.17 -4.04 -0.02 0.00 0.03 0.00 0.00 46.19 42.00 1a49 s LEU 1933CO 0.05 -0.14 -0.14 -0.54 0.23 0.00 0.00 176.35 175.81 1a49 s LYS 1934N -2.50 2.83 0.24 1.70 1.02 -1.26 -2.10 119.74 119.67 1a49 s LYS 1934Ca 0.52 -0.69 -0.31 0.00 0.02 0.00 0.00 55.97 55.50 1a49 s LYS 1934Cb -0.14 -2.47 -0.13 0.00 -0.52 0.00 0.00 37.83 34.57 1a49 s LYS 1934CO 0.19 0.47 1.50 1.17 -0.92 0.00 0.00 175.35 177.76 1a49 n LYS 1935N 2.76 2.26 0.00 1.68 4.81 -1.26 -0.94 118.16 127.47 1a49 n LYS 1935Ca -0.18 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1a49 n LYS 1935Cb 0.52 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.05 1a49 n LYS 1935CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a49 n GLY 1936N 2.43 1.98 3.76 3.14 0.00 0.01 -4.91 105.19 111.60 1a49 n GLY 1936Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1a49 n GLY 1936CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 s ALA 1937N -2.33 1.69 0.13 4.61 0.00 -0.11 -4.73 121.76 121.02 1a49 s ALA 1937Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 1a49 s ALA 1937Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1a49 s ALA 1937CO 0.00 -2.28 0.31 -0.08 0.00 0.00 0.00 175.76 173.71 1a49 s THR 1938N -3.16 5.27 -0.15 0.00 -1.32 -1.26 -0.53 115.64 114.49 1a49 s THR 1938Ca 0.63 -0.28 -0.06 0.00 -1.21 0.00 0.00 61.69 60.77 1a49 s THR 1938Cb -0.16 -3.66 0.07 0.00 -1.51 0.00 0.00 72.50 67.24 1a49 s THR 1938CO 0.55 0.02 0.32 -0.22 -2.21 0.00 0.00 174.62 173.07 1a49 s LEU 1939N -2.81 -0.20 -0.21 9.08 2.96 -0.78 -4.83 118.68 121.89 1a49 s LEU 1939Ca 0.38 0.72 -0.14 0.00 -0.22 0.00 0.00 54.13 54.87 1a49 s LEU 1939Cb -0.12 0.97 -0.04 0.00 0.50 0.00 0.00 46.19 47.50 1a49 s LEU 1939CO 0.27 -0.21 0.31 -0.75 -1.32 0.00 0.00 176.35 174.64 1a49 s LYS 1940N 2.05 4.15 -0.16 1.98 2.20 -0.79 0.66 119.74 129.84 1a49 s LYS 1940Ca -0.04 0.03 -0.15 0.00 -0.36 0.00 0.00 55.97 55.45 1a49 s LYS 1940Cb -0.11 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 1a49 s LYS 1940CO -0.10 0.03 0.36 0.42 -0.36 0.00 0.00 175.35 175.70 1a49 s ILE 1941N 1.12 5.25 0.17 5.43 1.01 0.13 0.16 121.20 134.48 1a49 s ILE 1941Ca 0.15 0.69 0.09 0.00 0.00 0.00 0.00 60.65 61.57 1a49 s ILE 1941Cb -0.14 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1a49 s ILE 1941CO 0.06 0.34 -0.18 -0.89 0.00 0.00 0.00 174.94 174.27 1a49 s THR 1942N 0.69 1.86 -0.56 2.92 2.01 0.16 -2.23 115.64 120.50 1a49 s THR 1942Ca 0.19 -1.96 0.09 0.00 0.31 0.00 0.00 61.69 60.33 1a49 s THR 1942Cb -0.14 -1.89 -0.08 0.00 0.01 0.00 0.00 72.50 70.41 1a49 s THR 1942CO 0.06 -0.33 0.45 0.18 -0.69 0.00 0.00 174.62 174.30 1a49 n LEU 1943N 0.22 0.64 -4.57 4.42 4.77 -1.12 -2.01 117.00 119.34 1a49 n LEU 1943Ca -0.13 -0.57 -0.39 0.00 -0.03 0.00 0.00 56.01 54.89 1a49 n LEU 1943Cb 0.57 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1a49 n LEU 1943CO 0.30 0.14 1.92 -0.62 -1.33 0.00 0.00 177.39 177.80 1a49 s ASP 1944N -1.74 4.92 0.22 -1.43 -1.08 -1.26 -4.76 116.67 111.53 1a49 s ASP 1944Ca 0.05 1.38 0.07 0.00 -0.52 0.00 0.00 52.55 53.53 1a49 s ASP 1944Cb 0.07 -2.51 0.40 0.00 -1.46 0.00 0.00 42.92 39.43 1a49 s ASP 1944CO 0.35 -2.46 1.06 0.59 0.52 0.00 0.00 175.17 175.23 1a49 n ASN 1945N 13.93 0.19 0.27 -0.34 5.03 -1.26 -0.91 115.26 132.18 1a49 n ASN 1945Ca 0.33 0.42 0.13 0.00 0.87 0.00 0.00 54.58 56.33 1a49 n ASN 1945Cb 0.51 -0.36 0.80 0.00 -1.02 0.00 0.00 39.78 39.71 1a49 n ASN 1945CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a49 h ALA 1946N 1.00 1.75 -0.25 5.41 0.00 -2.00 -2.72 119.26 122.45 1a49 h ALA 1946Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a49 h ALA 1946Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1a49 h ALA 1946CO 0.00 -0.04 0.00 0.66 0.00 0.00 0.00 179.25 179.87 1a49 n TYR 1947N -4.11 0.32 0.09 0.00 4.02 -0.08 -4.61 117.16 112.79 1a49 n TYR 1947Ca -0.02 -0.25 0.05 0.00 -0.01 0.00 0.00 57.90 57.67 1a49 n TYR 1947Cb 0.12 -0.01 0.27 0.00 -0.02 0.00 0.00 39.34 39.70 1a49 n TYR 1947CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a49 n MET 1948N 0.91 0.06 -0.05 -0.72 0.00 -1.03 -0.05 117.12 116.25 1a49 n MET 1948Ca 0.13 0.51 0.01 0.00 0.00 0.00 0.00 57.70 58.35 1a49 n MET 1948Cb 0.44 -1.85 0.01 0.00 0.00 0.00 0.00 33.22 31.83 1a49 n MET 1948CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1a49 n GLU 1949N -1.82 1.36 -2.49 3.17 1.02 -1.26 -1.02 120.64 119.58 1a49 n GLU 1949Ca -0.01 -1.14 -0.18 0.00 -0.02 0.00 0.00 57.16 55.81 1a49 n GLU 1949Cb 0.15 -0.80 0.02 0.00 -0.02 0.00 0.00 31.44 30.79 1a49 n GLU 1949CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a49 n LYS 1950N -0.33 2.62 -2.43 3.49 5.02 0.93 -0.54 118.16 126.92 1a49 n LYS 1950Ca 0.01 -3.98 -0.37 0.00 -2.02 0.00 0.00 58.31 51.96 1a49 n LYS 1950Cb 0.43 -1.90 -0.03 0.00 -0.02 0.00 0.00 35.03 33.51 1a49 n LYS 1950CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a49 n ASP 1952N -0.29 -0.20 0.23 0.00 5.68 0.35 -0.57 116.55 121.75 1a49 n ASP 1952Ca 0.06 -1.19 0.16 0.00 -0.50 0.00 0.00 54.79 53.32 1a49 n ASP 1952Cb 0.49 0.36 0.75 0.00 -1.14 0.00 0.00 41.12 41.58 1a49 n ASP 1952CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1a49 h GLU 1953N 0.00 0.00 0.00 0.11 9.09 -1.95 -2.55 114.58 119.28 1a49 h GLU 1953Ca -0.03 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.16 1a49 h GLU 1953Cb 0.13 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.19 1a49 h GLU 1953CO 0.04 0.00 -2.02 0.09 0.05 0.00 0.00 179.01 177.18 1a49 n ASN 1954N -2.72 1.04 -3.84 3.06 5.03 -1.26 -4.80 115.26 111.76 1a49 n ASN 1954Ca -0.00 0.00 -0.15 0.00 0.87 0.00 0.00 54.58 55.30 1a49 n ASN 1954Cb 0.18 1.14 -0.15 0.00 -1.02 0.00 0.00 39.78 39.93 1a49 n ASN 1954CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a49 s ILE 1955N -2.61 0.11 -0.12 2.41 1.01 -0.96 -1.88 121.20 119.16 1a49 s ILE 1955Ca -0.07 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1a49 s ILE 1955Cb 0.06 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.39 1a49 s ILE 1955CO 0.68 0.09 -0.11 -0.22 0.00 0.00 0.00 174.94 175.37 1a49 s LEU 1956N 0.61 1.45 -0.08 2.97 2.96 0.43 0.13 118.68 127.16 1a49 s LEU 1956Ca -0.06 -0.37 -0.14 0.00 -0.22 0.00 0.00 54.13 53.35 1a49 s LEU 1956Cb -0.08 -0.96 -0.05 0.00 0.50 0.00 0.00 46.19 45.59 1a49 s LEU 1956CO -0.01 -0.06 0.34 0.86 -1.32 0.00 0.00 176.35 176.16 1a49 s TRP 1957N 1.41 3.61 0.29 5.38 -0.00 -1.26 0.35 118.94 128.72 1a49 s TRP 1957Ca 0.01 0.80 0.11 0.00 -0.00 0.00 0.00 56.10 57.01 1a49 s TRP 1957Cb -0.13 -2.28 -0.05 0.00 -0.00 0.00 0.00 33.47 31.01 1a49 s TRP 1957CO -0.06 0.49 -0.11 -0.51 -0.00 0.00 0.00 176.95 176.75 1a49 s LEU 1958N -0.43 2.82 0.10 5.86 1.43 -0.85 -0.19 118.68 127.41 1a49 s LEU 1958Ca 0.21 -0.92 -0.02 0.00 -1.03 0.00 0.00 54.13 52.37 1a49 s LEU 1958Cb -0.15 -1.30 -0.22 0.00 0.03 0.00 0.00 46.19 44.55 1a49 s LEU 1958CO 0.09 -0.02 1.21 0.44 0.23 0.00 0.00 176.35 178.30 1a49 h ASP 1959N 2.09 0.34 -2.68 2.29 3.32 -1.35 -3.45 116.42 116.98 1a49 h ASP 1959Ca -0.42 -0.35 -0.68 0.00 0.02 0.00 0.00 57.03 55.60 1a49 h ASP 1959Cb 1.26 -0.11 -0.18 0.00 0.22 0.00 0.00 39.33 40.52 1a49 h ASP 1959CO 0.62 1.25 0.54 -0.47 -1.72 0.00 0.00 179.24 179.45 1a49 s TYR 1960N -2.78 3.01 0.57 4.55 5.04 -1.26 -4.90 117.35 121.58 1a49 s TYR 1960Ca -0.03 -1.11 0.39 0.00 -2.44 0.00 0.00 57.07 53.88 1a49 s TYR 1960Cb 0.08 -4.19 2.14 0.00 0.35 0.00 0.00 41.96 40.33 1a49 s TYR 1960CO 0.87 -1.46 2.20 0.87 -1.34 0.00 0.00 175.55 176.69 1a49 h LYS 1961N 9.04 0.00 -0.02 4.97 1.79 -1.97 -1.05 116.57 129.34 1a49 h LYS 1961Ca -0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1a49 h LYS 1961Cb 1.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1a49 h LYS 1961CO 1.10 0.00 -0.04 0.09 -1.08 0.00 0.00 179.45 179.52 1a49 n ASN 1962N -2.94 1.67 -0.51 0.86 3.02 -1.26 -4.53 115.26 111.56 1a49 n ASN 1962Ca -0.03 -1.49 0.42 0.00 -0.03 0.00 0.00 54.58 53.45 1a49 n ASN 1962Cb 0.13 0.03 0.72 0.00 -0.61 0.00 0.00 39.78 40.05 1a49 n ASN 1962CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1a49 h ILE 1963N 2.55 0.15 0.00 2.41 2.10 -1.61 0.74 117.51 123.85 1a49 h ILE 1963Ca 0.00 -0.02 -0.08 0.00 1.08 0.00 0.00 64.86 65.84 1a49 h ILE 1963Cb 0.58 0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 36.39 1a49 h ILE 1963CO 0.00 0.01 -0.38 0.00 -1.08 0.00 0.00 178.15 176.70 1a49 n LYS 1965N -3.47 0.18 -0.09 0.00 5.02 0.26 -3.74 118.16 116.31 1a49 n LYS 1965Ca 0.00 0.07 0.05 0.00 -2.02 0.00 0.00 58.31 56.41 1a49 n LYS 1965Cb 0.53 -1.63 0.10 0.00 -0.02 0.00 0.00 35.03 34.01 1a49 n LYS 1965CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1a49 n VAL 1966N -1.91 0.58 -4.51 -0.18 0.24 -1.18 -4.97 118.33 106.40 1a49 n VAL 1966Ca 0.05 -0.79 -0.25 0.00 -2.04 0.00 0.00 64.34 61.31 1a49 n VAL 1966Cb 0.40 0.80 -0.11 0.00 -1.47 0.00 0.00 33.84 33.46 1a49 n VAL 1966CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1a49 s VAL 1967N -0.94 1.98 0.09 3.34 0.11 -1.15 -4.63 120.40 119.21 1a49 s VAL 1967Ca 0.17 -2.15 0.01 0.00 -2.93 0.00 0.00 61.98 57.08 1a49 s VAL 1967Cb 0.10 -2.64 -0.04 0.00 -1.53 0.00 0.00 36.38 32.27 1a49 s VAL 1967CO 0.14 -0.20 -0.04 -1.81 -3.33 0.00 0.00 175.10 169.86 1a49 s ASP 1968N -3.57 0.86 0.16 3.54 1.11 -1.26 -4.95 116.67 112.57 1a49 s ASP 1968Ca 0.32 -1.04 -0.32 0.00 0.18 0.00 0.00 52.55 51.70 1a49 s ASP 1968Cb 0.04 0.15 -0.11 0.00 1.07 0.00 0.00 42.92 44.07 1a49 s ASP 1968CO 0.15 -0.54 1.71 -0.69 1.18 0.00 0.00 175.17 176.98 1a49 s VAL 1969N -3.76 2.39 0.00 -1.27 1.01 -1.26 -0.24 120.40 117.28 1a49 s VAL 1969Ca 0.13 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1a49 s VAL 1969Cb 0.06 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1a49 s VAL 1969CO -0.05 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1a49 n GLY 1970N 4.00 1.26 3.75 4.51 0.00 0.53 -4.96 105.19 114.27 1a49 n GLY 1970Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1a49 n GLY 1970CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a49 s SER 1971N -1.78 5.22 -0.22 1.61 0.01 0.67 -4.42 113.70 114.79 1a49 s SER 1971Ca 0.00 2.69 -0.10 0.00 1.31 0.00 0.00 55.95 59.85 1a49 s SER 1971Cb 0.00 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 1a49 s SER 1971CO 0.00 -1.60 0.14 -0.54 0.41 0.00 0.00 173.24 171.66 1a49 s LYS 1972N -2.99 4.10 -0.19 12.44 3.01 -1.26 0.23 119.74 135.09 1a49 s LYS 1972Ca 0.73 -0.26 -0.04 0.00 -1.01 0.00 0.00 55.97 55.39 1a49 s LYS 1972Cb -0.39 -3.48 -0.02 0.00 -1.01 0.00 0.00 37.83 32.94 1a49 s LYS 1972CO 0.45 0.15 -0.03 0.08 0.51 0.00 0.00 175.35 176.51 1a49 s VAL 1973N 0.78 3.66 -0.05 3.17 1.01 0.29 -4.72 120.40 124.53 1a49 s VAL 1973Ca 0.07 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1a49 s VAL 1973Cb -0.13 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1a49 s VAL 1973CO 0.02 0.44 0.09 -0.31 0.00 0.00 0.00 175.10 175.34 1a49 s TYR 1974N 1.01 3.36 -0.06 5.22 2.02 -0.68 -0.57 117.35 127.66 1a49 s TYR 1974Ca 0.01 0.30 0.04 0.00 -0.37 0.00 0.00 57.07 57.05 1a49 s TYR 1974Cb -0.15 -1.81 0.00 0.00 -0.40 0.00 0.00 41.96 39.60 1a49 s TYR 1974CO 0.01 0.59 -0.17 0.08 -1.57 0.00 0.00 175.55 174.49 1a49 s VAL 1975N -1.09 1.42 -0.51 0.71 1.01 -0.30 -0.22 120.40 121.42 1a49 s VAL 1975Ca 0.19 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1a49 s VAL 1975Cb -0.12 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1a49 s VAL 1975CO 0.09 0.41 0.47 -0.67 0.00 0.00 0.00 175.10 175.40 1a49 n ASP 1976N 3.39 -5.23 -4.05 3.32 2.03 0.85 -1.69 116.55 115.17 1a49 n ASP 1976Ca -0.20 -0.18 -0.31 0.00 0.52 0.00 0.00 54.79 54.62 1a49 n ASP 1976Cb 0.53 -3.49 -0.01 0.00 -0.72 0.00 0.00 41.12 37.42 1a49 n ASP 1976CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1a49 n ASP 1977N -1.86 -2.65 0.00 1.67 8.00 -1.26 -1.09 116.55 119.35 1a49 n ASP 1977Ca -0.02 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.54 1a49 n ASP 1977Cb 0.53 -3.16 0.00 0.00 -0.02 0.00 0.00 41.12 38.46 1a49 n ASP 1977CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a49 n GLY 1978N -1.65 1.46 0.33 0.44 0.00 -1.25 -4.81 105.19 99.71 1a49 n GLY 1978Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1a49 n GLY 1978CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a49 h LEU 1979N 0.00 -0.99 -9.22 0.99 5.85 -1.00 -3.41 115.31 107.53 1a49 h LEU 1979Ca 0.00 0.14 -0.65 0.00 0.84 0.00 0.00 57.88 58.22 1a49 h LEU 1979Cb 0.00 0.42 -0.15 0.00 0.37 0.00 0.00 40.66 41.30 1a49 h LEU 1979CO 0.00 -0.36 -0.58 -0.63 -0.34 0.00 0.00 178.44 176.53 1a49 s ILE 1980N -6.00 4.68 -0.23 4.05 -1.09 -0.68 -4.97 121.20 116.96 1a49 s ILE 1980Ca -0.15 -0.09 -0.03 0.00 -2.23 0.00 0.00 60.65 58.15 1a49 s ILE 1980Cb 0.10 -3.05 0.01 0.00 -1.58 0.00 0.00 42.46 37.94 1a49 s ILE 1980CO 0.66 0.54 -0.05 -0.55 -1.23 0.00 0.00 174.94 174.31 1a49 s SER 1981N -0.26 4.29 -0.11 3.58 0.15 -1.26 -1.15 113.70 118.94 1a49 s SER 1981Ca 0.08 -0.62 -0.04 0.00 0.70 0.00 0.00 55.95 56.07 1a49 s SER 1981Cb -0.12 -1.71 -0.04 0.00 -1.71 0.00 0.00 66.02 62.45 1a49 s SER 1981CO 0.02 -0.07 0.04 -0.76 1.20 0.00 0.00 173.24 173.66 1a49 s LEU 1982N 1.41 3.78 -0.13 3.45 1.43 0.27 -0.30 118.68 128.58 1a49 s LEU 1982Ca 0.03 0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1a49 s LEU 1982Cb -0.15 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1a49 s LEU 1982CO -0.04 0.35 -0.06 -1.58 0.23 0.00 0.00 176.35 175.24 1a49 s GLN 1983N -0.67 3.45 -0.00 1.70 0.74 -0.70 -0.55 119.66 123.62 1a49 s GLN 1983Ca 0.11 -0.56 -0.30 0.00 0.05 0.00 0.00 55.36 54.66 1a49 s GLN 1983Cb -0.12 -2.80 -0.06 0.00 1.10 0.00 0.00 33.01 31.13 1a49 s GLN 1983CO 0.02 0.32 1.54 0.08 -0.55 0.00 0.00 175.29 176.70 1a49 s VAL 1984N 0.13 3.51 -0.14 1.34 1.01 0.64 -2.19 120.40 124.70 1a49 s VAL 1984Ca -0.03 0.83 0.07 0.00 0.00 0.00 0.00 61.98 62.86 1a49 s VAL 1984Cb -0.14 -3.53 -0.14 0.00 0.00 0.00 0.00 36.38 32.57 1a49 s VAL 1984CO 0.03 -0.03 -0.03 0.29 0.00 0.00 0.00 175.10 175.36 1a49 n LYS 1985N 6.01 1.28 -3.77 2.72 4.76 -0.84 0.20 118.16 128.51 1a49 n LYS 1985Ca 0.15 0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.50 1a49 n LYS 1985Cb 0.43 -1.34 -0.12 0.00 -1.84 0.00 0.00 35.03 32.16 1a49 n LYS 1985CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1a49 s GLN 1986N -2.32 0.25 -0.12 1.97 0.74 -1.00 -4.88 119.66 114.30 1a49 s GLN 1986Ca -0.13 0.38 -0.01 0.00 0.05 0.00 0.00 55.36 55.65 1a49 s GLN 1986Cb 0.05 0.05 -0.02 0.00 1.10 0.00 0.00 33.01 34.19 1a49 s GLN 1986CO 0.48 -0.07 -0.07 0.15 -0.55 0.00 0.00 175.29 175.22 1a49 s LYS 1987N 0.47 3.32 0.51 1.67 1.02 -1.26 -1.81 119.74 123.65 1a49 s LYS 1987Ca -0.03 -0.57 0.02 0.00 0.02 0.00 0.00 55.97 55.41 1a49 s LYS 1987Cb -0.04 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.52 1a49 s LYS 1987CO -0.02 0.36 0.05 0.20 -0.92 0.00 0.00 175.35 175.02 1a49 s GLY 1988N -0.00 2.95 0.14 -3.33 0.00 0.31 -4.99 107.32 102.40 1a49 s GLY 1988Ca -0.01 -0.50 0.11 0.00 0.00 0.00 0.00 44.72 44.32 1a49 s GLY 1988CO 0.03 -2.17 1.19 -2.55 0.00 0.00 0.00 173.10 169.60 1a49 h PRO 1989N 1.29 0.00 -0.01 2.90 0.11 -2.00 -3.32 132.00 130.98 1a49 h PRO 1989Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1a49 h PRO 1989Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1a49 h PRO 1989CO 0.73 0.71 -0.10 -3.47 -0.21 0.00 0.00 178.00 175.65 1a49 n ASP 1990N -3.22 1.07 -2.97 -2.05 2.03 -1.26 -4.95 116.55 105.19 1a49 n ASP 1990Ca -0.03 -1.03 -0.07 0.00 0.52 0.00 0.00 54.79 54.18 1a49 n ASP 1990Cb 0.89 0.37 0.03 0.00 -0.72 0.00 0.00 41.12 41.68 1a49 n ASP 1990CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1a49 s PHE 1991N -0.91 0.13 -0.03 -0.67 -0.12 -1.25 -2.80 117.98 112.34 1a49 s PHE 1991Ca 0.06 -0.75 -0.00 0.00 -0.05 0.00 0.00 56.93 56.18 1a49 s PHE 1991Cb 0.05 0.81 0.03 0.00 -0.63 0.00 0.00 43.02 43.28 1a49 s PHE 1991CO 0.14 -1.41 0.02 -0.51 -0.05 0.00 0.00 175.22 173.41 1a49 s LEU 1992N -3.20 0.94 -0.23 -1.99 1.43 -0.94 0.11 118.68 114.80 1a49 s LEU 1992Ca 0.18 0.00 -0.23 0.00 -1.03 0.00 0.00 54.13 53.05 1a49 s LEU 1992Cb -0.04 -0.19 -0.01 0.00 0.03 0.00 0.00 46.19 45.98 1a49 s LEU 1992CO 0.10 -0.14 0.74 -0.69 0.23 0.00 0.00 176.35 176.59 1a49 s VAL 1993N 1.28 4.91 0.28 -1.59 1.01 -0.75 -0.69 120.40 124.85 1a49 s VAL 1993Ca -0.06 1.38 0.01 0.00 0.00 0.00 0.00 61.98 63.31 1a49 s VAL 1993Cb -0.13 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1a49 s VAL 1993CO -0.02 -0.01 0.07 0.35 0.00 0.00 0.00 175.10 175.49 1a49 n THR 1994N 5.11 0.00 -4.11 3.92 -2.24 0.21 -1.98 114.28 115.19 1a49 n THR 1994Ca 0.03 -1.24 -0.21 0.00 -2.27 0.00 0.00 64.05 60.36 1a49 n THR 1994Cb 0.48 0.09 -0.17 0.00 -2.10 0.00 0.00 70.33 68.64 1a49 n THR 1994CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1a49 s GLU 1995N -3.05 0.85 -0.15 -0.78 2.12 -0.93 -1.87 118.70 114.90 1a49 s GLU 1995Ca 0.05 -0.09 -0.29 0.00 0.36 0.00 0.00 54.97 55.00 1a49 s GLU 1995Cb -0.00 -0.91 -0.05 0.00 0.26 0.00 0.00 34.13 33.43 1a49 s GLU 1995CO 0.03 -0.12 1.86 0.08 -0.54 0.00 0.00 175.26 176.58 1a49 s VAL 1996N 1.10 3.34 -0.54 3.70 1.01 0.31 -1.72 120.40 127.59 1a49 s VAL 1996Ca -0.08 0.38 0.24 0.00 0.00 0.00 0.00 61.98 62.52 1a49 s VAL 1996Cb -0.14 -3.34 0.10 0.00 0.00 0.00 0.00 36.38 33.00 1a49 s VAL 1996CO -0.01 -0.13 1.35 -0.33 0.00 0.00 0.00 175.10 175.98 1a49 h GLU 1997N 11.75 0.00 -2.72 2.72 5.08 -0.99 0.06 114.58 130.48 1a49 h GLU 1997Ca -0.40 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.85 1a49 h GLU 1997Cb 1.20 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.22 1a49 h GLU 1997CO 0.97 0.00 -0.20 0.54 -1.00 0.00 0.00 179.01 179.32 1a49 s ASN 1998N -4.71 -0.41 0.80 1.42 2.20 -1.25 -4.75 114.94 108.24 1a49 s ASN 1998Ca 0.05 0.70 -0.12 0.00 -0.94 0.00 0.00 52.86 52.55 1a49 s ASN 1998Cb 0.12 0.74 0.08 0.00 -2.00 0.00 0.00 41.25 40.19 1a49 s ASN 1998CO 0.71 -0.24 1.15 -0.83 -2.94 0.00 0.00 177.10 174.95 1a49 s GLY 1999N -0.17 1.91 0.00 0.45 0.00 -1.26 -4.42 107.32 103.82 1a49 s GLY 1999Ca -0.03 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.27 1a49 s GLY 1999CO 0.02 0.97 0.00 0.61 0.00 0.00 0.00 173.10 174.70 1a49 n GLY 2000N -0.18 1.49 3.53 0.20 0.00 -0.89 -4.90 105.19 104.45 1a49 n GLY 2000Ca 0.11 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1a49 n GLY 2000CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a49 s PHE 2001N -2.00 3.17 -0.31 1.61 0.40 -1.26 0.63 117.98 120.22 1a49 s PHE 2001Ca 0.00 -0.01 -0.23 0.00 -0.60 0.00 0.00 56.93 56.09 1a49 s PHE 2001Cb 0.00 -2.89 0.00 0.00 0.51 0.00 0.00 43.02 40.64 1a49 s PHE 2001CO 0.00 -0.57 0.77 -1.17 0.70 0.00 0.00 175.22 174.95 1a49 s LEU 2002N 2.28 4.10 0.00 -0.37 2.96 0.90 -4.85 118.68 123.70 1a49 s LEU 2002Ca 0.16 0.60 0.00 0.00 -0.22 0.00 0.00 54.13 54.66 1a49 s LEU 2002Cb -0.16 -3.04 0.00 0.00 0.50 0.00 0.00 46.19 43.49 1a49 s LEU 2002CO 0.13 -0.62 0.00 0.61 -1.32 0.00 0.00 176.35 175.16 1a49 n GLY 2003N 4.27 2.93 3.87 7.98 0.00 -1.26 0.33 105.19 123.30 1a49 n GLY 2003Ca 0.03 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 1a49 n GLY 2003CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a49 s SER 2004N -0.73 6.65 -1.38 1.61 0.01 -1.23 -4.47 113.70 114.15 1a49 s SER 2004Ca 0.00 0.85 -0.03 0.00 1.31 0.00 0.00 55.95 58.08 1a49 s SER 2004Cb 0.00 -2.20 0.02 0.00 0.21 0.00 0.00 66.02 64.05 1a49 s SER 2004CO 0.00 0.07 0.70 0.29 0.41 0.00 0.00 173.24 174.71 1a49 n LYS 2005N 0.45 -4.66 -2.69 12.44 5.02 -0.64 -4.95 118.16 123.13 1a49 n LYS 2005Ca -0.04 0.57 -0.28 0.00 -2.02 0.00 0.00 58.31 56.54 1a49 n LYS 2005Cb 0.52 -5.10 -0.01 0.00 -0.02 0.00 0.00 35.03 30.42 1a49 n LYS 2005CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a49 s LYS 2006N -6.23 3.57 0.54 1.97 -0.14 -1.26 -4.58 119.74 113.61 1a49 s LYS 2006Ca 0.14 0.22 -0.19 0.00 -1.36 0.00 0.00 55.97 54.78 1a49 s LYS 2006Cb -0.07 -2.39 -0.06 0.00 -1.68 0.00 0.00 37.83 33.63 1a49 s LYS 2006CO 0.83 -0.17 1.11 0.20 -0.76 0.00 0.00 175.35 176.56 1a49 s GLY 2007N -3.97 2.56 -0.08 -3.33 0.00 -1.26 -1.22 107.32 100.03 1a49 s GLY 2007Ca 0.48 0.75 0.03 0.00 0.00 0.00 0.00 44.72 45.98 1a49 s GLY 2007CO 0.43 1.10 -0.20 0.14 0.00 0.00 0.00 173.10 174.57 1a49 s VAL 2008N -1.87 1.70 -0.10 1.40 1.01 -0.75 -0.11 120.40 121.69 1a49 s VAL 2008Ca 0.71 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1a49 s VAL 2008Cb -0.22 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1a49 s VAL 2008CO 0.27 0.48 -0.18 0.20 0.00 0.00 0.00 175.10 175.86 1a49 s ASN 2009N 0.42 2.61 -0.59 3.32 0.01 0.69 -4.38 114.94 117.03 1a49 s ASN 2009Ca -0.16 -0.47 0.05 0.00 -0.71 0.00 0.00 52.86 51.57 1a49 s ASN 2009Cb -0.17 -1.19 0.33 0.00 0.41 0.00 0.00 41.25 40.63 1a49 s ASN 2009CO 0.07 0.07 0.93 0.18 -1.51 0.00 0.00 177.10 176.83 1a49 n LEU 2010N 3.90 4.39 -4.60 0.60 7.99 -1.26 -1.69 117.00 126.32 1a49 n LEU 2010Ca -0.20 -5.66 -0.56 0.00 -0.01 0.00 0.00 56.01 49.59 1a49 n LEU 2010Cb 0.52 -0.56 -0.07 0.00 -0.11 0.00 0.00 43.42 43.20 1a49 n LEU 2010CO 0.26 2.32 0.91 -2.65 -1.51 0.00 0.00 177.39 176.72 1a49 n PRO 2011N -0.12 0.81 -1.50 3.23 -0.02 -1.26 -1.43 135.00 134.70 1a49 n PRO 2011Ca 0.31 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1a49 n PRO 2011Cb 0.39 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1a49 n PRO 2011CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a49 n GLY 2012N 2.63 0.73 3.18 -1.23 0.00 -1.26 -4.98 105.19 104.27 1a49 n GLY 2012Ca 0.21 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 1a49 n GLY 2012CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 s ALA 2013N -2.00 1.18 -1.10 4.61 0.00 -0.52 -5.07 121.76 118.86 1a49 s ALA 2013Ca 0.00 -1.16 -0.19 0.00 0.00 0.00 0.00 51.96 50.62 1a49 s ALA 2013Cb 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 23.12 23.21 1a49 s ALA 2013CO 0.00 0.03 1.42 0.00 0.00 0.00 0.00 175.76 177.21 1a49 s ALA 2014N -2.12 3.32 -0.62 0.00 0.00 -1.26 -4.94 121.76 116.14 1a49 s ALA 2014Ca 0.04 -2.79 -0.08 0.00 0.00 0.00 0.00 51.96 49.13 1a49 s ALA 2014Cb -0.05 -4.33 0.16 0.00 0.00 0.00 0.00 23.12 18.90 1a49 s ALA 2014CO 0.01 -3.18 0.49 0.08 0.00 0.00 0.00 175.76 173.16 1a49 s VAL 2015N 3.41 4.38 -0.91 0.00 1.01 -1.26 -4.95 120.40 122.09 1a49 s VAL 2015Ca 0.43 -2.38 -0.20 0.00 0.00 0.00 0.00 61.98 59.83 1a49 s VAL 2015Cb -0.01 -3.82 0.11 0.00 0.00 0.00 0.00 36.38 32.66 1a49 s VAL 2015CO -0.04 -0.88 1.15 1.51 0.00 0.00 0.00 175.10 176.84 1a49 s ASP 2016N 1.83 6.55 0.22 3.32 -4.77 -1.26 -4.97 116.67 117.60 1a49 s ASP 2016Ca 0.13 -1.83 0.09 0.00 -3.30 0.00 0.00 52.55 47.64 1a49 s ASP 2016Cb -0.20 -2.42 -0.04 0.00 -1.09 0.00 0.00 42.92 39.16 1a49 s ASP 2016CO -0.04 -1.17 -0.05 -0.76 0.70 0.00 0.00 175.17 173.85 1a49 s LEU 2017N 3.16 3.10 0.50 2.11 1.43 -1.26 -5.11 118.68 122.60 1a49 s LEU 2017Ca 0.33 -0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 52.65 1a49 s LEU 2017Cb -0.06 -1.70 -0.08 0.00 0.03 0.00 0.00 46.19 44.38 1a49 s LEU 2017CO -0.07 0.05 0.98 -2.16 0.23 0.00 0.00 176.35 175.38 1a49 s PRO 2018N -3.25 3.99 0.43 1.29 0.04 -1.26 -4.93 135.00 131.30 1a49 s PRO 2018Ca 0.28 1.01 0.09 0.00 0.04 0.00 0.00 61.00 62.42 1a49 s PRO 2018Cb -0.08 -2.14 0.93 0.00 0.04 0.00 0.00 34.50 33.25 1a49 s PRO 2018CO 0.18 -0.24 2.07 0.00 0.04 0.00 0.00 177.00 179.05 1a49 h ALA 2019N 1.13 1.76 -3.22 8.56 0.00 -1.97 -3.36 119.26 122.16 1a49 h ALA 2019Ca -0.47 -0.02 -0.47 0.00 0.00 0.00 0.00 54.91 53.94 1a49 h ALA 2019Cb 1.19 -0.14 -0.39 0.00 0.00 0.00 0.00 17.79 18.44 1a49 h ALA 2019CO 0.61 0.21 -0.76 0.08 0.00 0.00 0.00 179.25 179.39 1a49 s VAL 2020N -5.43 0.31 0.60 0.00 1.01 -1.26 -4.47 120.40 111.16 1a49 s VAL 2020Ca -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1a49 s VAL 2020Cb 0.17 -0.72 0.04 0.00 0.00 0.00 0.00 36.38 35.88 1a49 s VAL 2020CO 0.72 -0.05 0.86 -0.94 0.00 0.00 0.00 175.10 175.70 1a49 s SER 2021N 1.97 5.15 0.27 3.32 1.04 -1.26 -4.92 113.70 119.27 1a49 s SER 2021Ca 0.02 0.20 -0.02 0.00 0.48 0.00 0.00 55.95 56.63 1a49 s SER 2021Cb -0.15 -1.02 0.41 0.00 0.10 0.00 0.00 66.02 65.36 1a49 s SER 2021CO -0.07 -1.28 1.88 -0.08 0.98 0.00 0.00 173.24 174.67 1a49 h GLU 2022N -0.17 1.13 -0.49 4.02 4.81 -1.99 0.14 114.58 122.04 1a49 h GLU 2022Ca -0.43 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 1a49 h GLU 2022Cb 1.30 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1a49 h GLU 2022CO 0.56 0.75 0.22 -0.22 -0.73 0.00 0.00 179.01 179.58 1a49 h LYS 2023N 1.17 0.72 -0.81 1.92 3.64 -2.00 -1.20 116.57 120.00 1a49 h LYS 2023Ca 0.43 -0.12 0.14 0.00 -1.27 0.00 0.00 60.65 59.83 1a49 h LYS 2023Cb 0.18 -0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 31.78 1a49 h LYS 2023CO -0.18 0.62 0.41 -0.44 -2.27 0.00 0.00 179.45 177.59 1a49 h ASP 2024N 0.65 0.49 -0.50 4.20 3.32 -1.58 -0.85 116.42 122.15 1a49 h ASP 2024Ca 0.17 0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.40 1a49 h ASP 2024Cb 0.16 0.01 -0.09 0.00 0.22 0.00 0.00 39.33 39.63 1a49 h ASP 2024CO -0.02 0.22 -0.10 0.40 -1.72 0.00 0.00 179.24 178.02 1a49 h ILE 2025N 0.60 0.52 -0.13 0.35 1.08 0.43 -1.30 117.51 119.07 1a49 h ILE 2025Ca 0.44 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.88 1a49 h ILE 2025Cb 0.60 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 1a49 h ILE 2025CO -0.35 0.00 0.02 1.56 -0.69 0.00 0.00 178.15 178.69 1a49 h GLN 2026N 0.02 0.22 -0.26 2.37 4.20 -0.69 -2.20 115.11 118.77 1a49 h GLN 2026Ca 0.24 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.93 1a49 h GLN 2026Cb 0.37 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 1a49 h GLN 2026CO -0.49 0.41 0.05 -0.44 -0.67 0.00 0.00 178.83 177.68 1a49 h ASP 2027N -0.01 0.00 -0.55 1.46 3.32 -0.41 0.27 116.42 120.50 1a49 h ASP 2027Ca 0.04 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1a49 h ASP 2027Cb 0.30 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1a49 h ASP 2027CO 0.00 0.04 0.35 -0.07 -1.72 0.00 0.00 179.24 177.84 1a49 h LEU 2028N 0.14 0.58 -0.96 1.55 3.38 -1.28 0.93 115.31 119.66 1a49 h LEU 2028Ca 0.12 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1a49 h LEU 2028Cb 0.12 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1a49 h LEU 2028CO -0.16 0.41 -0.33 0.11 0.09 0.00 0.00 178.44 178.56 1a49 h LYS 2029N 0.70 0.35 -0.40 1.13 1.79 -1.13 -0.66 116.57 118.35 1a49 h LYS 2029Ca 0.21 -0.15 -0.10 0.00 -2.18 0.00 0.00 60.65 58.43 1a49 h LYS 2029Cb -0.03 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 1a49 h LYS 2029CO -0.07 0.64 -0.17 0.35 -1.08 0.00 0.00 179.45 179.13 1a49 h PHE 2030N 0.30 0.83 -0.68 -1.35 3.04 0.12 -1.96 116.94 117.23 1a49 h PHE 2030Ca 0.04 -0.17 0.01 0.00 3.98 0.00 0.00 57.97 61.83 1a49 h PHE 2030Cb 0.73 -0.21 -0.04 0.00 2.56 0.00 0.00 35.95 39.00 1a49 h PHE 2030CO 0.02 0.86 0.45 0.78 -2.02 0.00 0.00 178.31 178.39 1a49 h GLY 2031N 0.97 0.97 0.97 2.40 0.00 0.16 0.71 103.07 109.25 1a49 h GLY 2031Ca 0.10 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1a49 h GLY 2031CO 0.05 0.33 0.11 -2.08 0.00 0.00 0.00 176.54 174.95 1a49 h VAL 2032N 0.90 1.08 -0.76 4.60 2.07 -0.81 0.26 116.25 123.60 1a49 h VAL 2032Ca 0.26 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1a49 h VAL 2032Cb -0.07 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1a49 h VAL 2032CO -0.07 0.07 0.42 -0.33 0.02 0.00 0.00 177.57 177.68 1a49 h GLU 2033N 0.22 1.05 0.00 1.57 4.39 -1.10 0.27 114.58 120.97 1a49 h GLU 2033Ca 0.07 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1a49 h GLU 2033Cb 0.02 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1a49 h GLU 2033CO -0.01 0.76 0.00 1.04 -1.16 0.00 0.00 179.01 179.64 1a49 n GLN 2034N -4.36 0.03 -3.46 2.33 1.13 0.24 -4.93 117.38 108.37 1a49 n GLN 2034Ca 0.08 0.18 -0.18 0.00 -1.94 0.00 0.00 57.00 55.14 1a49 n GLN 2034Cb 0.09 -1.55 0.09 0.00 0.11 0.00 0.00 30.24 28.99 1a49 n GLN 2034CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1a49 n ASP 2035N -1.60 -2.45 -4.76 1.08 2.03 0.94 -4.97 116.55 106.81 1a49 n ASP 2035Ca 0.05 -0.62 -0.29 0.00 0.52 0.00 0.00 54.79 54.44 1a49 n ASP 2035Cb 0.25 -5.08 0.13 0.00 -0.72 0.00 0.00 41.12 35.69 1a49 n ASP 2035CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1a49 s VAL 2036N -3.37 2.50 -0.25 5.18 -7.23 -0.45 -4.97 120.40 111.81 1a49 s VAL 2036Ca 0.06 0.16 0.21 0.00 -1.81 0.00 0.00 61.98 60.60 1a49 s VAL 2036Cb -0.03 -2.81 -0.30 0.00 0.56 0.00 0.00 36.38 33.80 1a49 s VAL 2036CO 0.73 -0.21 0.56 0.47 -0.31 0.00 0.00 175.10 176.34 1a49 n ASP 2037N -3.75 0.36 -3.52 4.85 8.00 0.09 -4.86 116.55 117.73 1a49 n ASP 2037Ca 0.07 -0.24 -0.10 0.00 0.71 0.00 0.00 54.79 55.23 1a49 n ASP 2037Cb 0.57 1.73 -0.03 0.00 -0.02 0.00 0.00 41.12 43.37 1a49 n ASP 2037CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a49 s MET 2038N -3.34 0.81 -0.08 -1.24 0.23 -1.16 -1.93 119.30 112.59 1a49 s MET 2038Ca -0.04 -0.13 0.05 0.00 -1.03 0.00 0.00 55.69 54.53 1a49 s MET 2038Cb 0.14 0.38 -0.01 0.00 -1.53 0.00 0.00 34.83 33.81 1a49 s MET 2038CO 0.87 -0.32 -0.23 0.08 -2.03 0.00 0.00 175.02 173.39 1a49 s VAL 2039N -2.41 2.24 -0.46 5.16 1.01 0.27 -1.74 120.40 124.48 1a49 s VAL 2039Ca 0.01 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 1a49 s VAL 2039Cb -0.01 -1.85 0.06 0.00 0.00 0.00 0.00 36.38 34.59 1a49 s VAL 2039CO -0.04 0.56 0.37 -0.36 0.00 0.00 0.00 175.10 175.62 1a49 s PHE 2040N 0.02 3.25 -0.47 5.22 0.08 0.70 -0.97 117.98 125.81 1a49 s PHE 2040Ca -0.08 -0.92 -0.24 0.00 0.12 0.00 0.00 56.93 55.80 1a49 s PHE 2040Cb -0.15 -3.05 0.03 0.00 -0.57 0.00 0.00 43.02 39.28 1a49 s PHE 2040CO 0.05 -0.77 0.86 0.00 -0.10 0.00 0.00 175.22 175.27 1a49 s ALA 2041N 1.63 3.25 0.56 5.36 0.00 -0.19 -1.70 121.76 130.67 1a49 s ALA 2041Ca 0.04 -0.96 -0.21 0.00 0.00 0.00 0.00 51.96 50.83 1a49 s ALA 2041Cb -0.23 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 1a49 s ALA 2041CO 0.07 -2.04 1.36 -1.12 0.00 0.00 0.00 175.76 174.03 1a49 s SER 2042N 2.29 5.15 -1.53 0.00 0.01 -1.26 -1.85 113.70 116.50 1a49 s SER 2042Ca 0.33 2.78 -0.02 0.00 1.31 0.00 0.00 55.95 60.35 1a49 s SER 2042Cb -0.11 -2.64 0.01 0.00 0.21 0.00 0.00 66.02 63.50 1a49 s SER 2042CO 0.24 -1.66 0.15 0.49 0.41 0.00 0.00 173.24 172.87 1a49 n PHE 2043N -1.15 -1.36 -2.21 2.43 3.01 -1.22 -4.68 117.46 112.28 1a49 n PHE 2043Ca 0.11 0.65 -0.42 0.00 1.01 0.00 0.00 57.45 58.80 1a49 n PHE 2043Cb 0.45 -2.99 -0.03 0.00 -0.01 0.00 0.00 39.48 36.90 1a49 n PHE 2043CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1a49 s ILE 2044N -4.21 3.49 -0.15 4.37 -1.09 -0.93 -4.84 121.20 117.84 1a49 s ILE 2044Ca 0.06 1.03 0.06 0.00 -2.23 0.00 0.00 60.65 59.57 1a49 s ILE 2044Cb -0.03 -3.66 -0.09 0.00 -1.58 0.00 0.00 42.46 37.10 1a49 s ILE 2044CO 0.97 0.06 0.20 0.54 -1.23 0.00 0.00 174.94 175.49 1a49 n ARG 2045N 4.31 2.48 -3.74 2.79 1.74 -1.26 -4.39 116.66 118.59 1a49 n ARG 2045Ca 0.12 -0.03 -0.08 0.00 -0.77 0.00 0.00 57.85 57.08 1a49 n ARG 2045Cb 0.43 -0.98 -0.02 0.00 -1.02 0.00 0.00 32.46 30.87 1a49 n ARG 2045CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1a49 s LYS 2046N -2.04 1.61 0.58 5.56 3.01 -1.26 -4.37 119.74 122.83 1a49 s LYS 2046Ca -0.00 -0.83 0.28 0.00 -1.01 0.00 0.00 55.97 54.41 1a49 s LYS 2046Cb 0.04 0.59 1.75 0.00 -1.01 0.00 0.00 37.83 39.20 1a49 s LYS 2046CO 0.27 -0.73 2.24 0.00 0.51 0.00 0.00 175.35 177.63 1a49 h ALA 2047N 2.00 1.56 -0.64 5.17 0.00 -1.89 -1.31 119.26 124.15 1a49 h ALA 2047Ca -0.23 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1a49 h ALA 2047Cb 1.26 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1a49 h ALA 2047CO 0.27 0.01 0.14 0.00 0.00 0.00 0.00 179.25 179.67 1a49 h ALA 2048N 1.99 0.85 -0.36 0.00 0.00 -1.95 0.18 119.26 119.96 1a49 h ALA 2048Ca -0.00 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1a49 h ALA 2048Cb 0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1a49 h ALA 2048CO 0.00 0.58 0.13 -0.44 0.00 0.00 0.00 179.25 179.52 1a49 h ASP 2049N 0.96 0.15 -0.28 0.00 3.32 -1.64 0.25 116.42 119.18 1a49 h ASP 2049Ca 0.20 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.33 1a49 h ASP 2049Cb 0.38 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1a49 h ASP 2049CO 0.00 0.12 0.03 0.58 -1.72 0.00 0.00 179.24 178.26 1a49 h VAL 2050N 0.29 0.84 -0.66 -1.35 2.07 -1.38 -1.11 116.25 114.95 1a49 h VAL 2050Ca 0.16 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.69 1a49 h VAL 2050Cb 0.13 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1a49 h VAL 2050CO -0.16 0.02 0.37 0.45 0.02 0.00 0.00 177.57 178.28 1a49 h HIS 2051N 0.13 0.69 -0.57 1.57 3.86 0.03 0.11 115.15 120.98 1a49 h HIS 2051Ca 0.13 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 1a49 h HIS 2051Cb 0.15 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 1a49 h HIS 2051CO -0.18 0.34 0.23 1.49 0.86 0.00 0.00 177.93 180.67 1a49 h GLU 2052N 0.70 0.82 -0.25 2.45 4.81 -0.46 1.03 114.58 123.68 1a49 h GLU 2052Ca 0.29 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1a49 h GLU 2052Cb 0.15 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1a49 h GLU 2052CO -0.17 0.67 0.05 0.28 -0.73 0.00 0.00 179.01 179.11 1a49 h VAL 2053N 0.81 1.22 -0.69 0.32 2.07 -0.10 0.58 116.25 120.46 1a49 h VAL 2053Ca 0.19 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1a49 h VAL 2053Cb 0.15 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1a49 h VAL 2053CO -0.02 0.24 0.40 -0.09 0.02 0.00 0.00 177.57 178.12 1a49 h ARG 2054N 0.23 0.94 0.08 1.57 2.43 -0.45 -0.49 114.38 118.69 1a49 h ARG 2054Ca 0.08 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1a49 h ARG 2054Cb 0.31 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 1a49 h ARG 2054CO 0.00 0.68 -0.28 -0.22 -1.51 0.00 0.00 179.97 178.64 1a49 h LYS 2055N 0.94 -0.46 -0.86 0.20 3.64 0.16 -1.01 116.57 119.18 1a49 h LYS 2055Ca 0.25 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.78 1a49 h LYS 2055Cb -0.01 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 31.83 1a49 h LYS 2055CO -0.04 -0.31 0.48 0.82 -2.27 0.00 0.00 179.45 178.13 1a49 h ILE 2056N -0.48 0.81 0.00 2.00 1.08 0.82 -0.04 117.51 121.70 1a49 h ILE 2056Ca 0.04 -0.25 -0.04 0.00 -0.39 0.00 0.00 64.86 64.22 1a49 h ILE 2056Cb 0.52 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 1a49 h ILE 2056CO -0.19 0.13 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.14 1a49 h LEU 2057N 0.73 0.00 0.00 1.44 3.38 -0.65 -3.47 115.31 116.75 1a49 h LEU 2057Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1a49 h LEU 2057Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1a49 h LEU 2057CO -0.31 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.02 1a49 n GLY 2058N -0.11 0.23 0.25 0.83 0.00 -0.03 -0.81 105.19 105.55 1a49 n GLY 2058Ca -0.00 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.56 1a49 n GLY 2058CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a49 h GLU 2059N 0.00 0.16 -0.94 1.61 4.39 -1.88 -0.38 114.58 117.54 1a49 h GLU 2059Ca 0.00 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.71 1a49 h GLU 2059Cb 0.00 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 1a49 h GLU 2059CO 0.00 0.11 0.62 -0.22 -1.16 0.00 0.00 179.01 178.36 1a49 h LYS 2060N 0.17 1.21 -0.63 2.33 3.64 -1.98 -2.98 116.57 118.32 1a49 h LYS 2060Ca 0.36 -0.07 -0.28 0.00 -1.27 0.00 0.00 60.65 59.39 1a49 h LYS 2060Cb 0.60 -0.27 -0.17 0.00 -0.41 0.00 0.00 32.23 31.98 1a49 h LYS 2060CO -0.53 0.80 0.24 0.41 -2.27 0.00 0.00 179.45 178.10 1a49 n GLY 2061N -1.39 4.44 0.31 5.01 0.00 0.01 -4.71 105.19 108.85 1a49 n GLY 2061Ca 0.12 -1.12 0.12 0.00 0.00 0.00 0.00 46.02 45.14 1a49 n GLY 2061CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a49 h LYS 2062N 1.42 0.10 -0.21 1.61 2.10 -1.17 -1.35 116.57 119.07 1a49 h LYS 2062Ca 0.35 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 1a49 h LYS 2062Cb 2.18 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.48 1a49 h LYS 2062CO 0.68 0.07 0.00 0.09 -2.00 0.00 0.00 179.45 178.29 1a49 n ASN 2063N -4.48 2.05 -4.73 7.07 5.03 -1.26 -4.88 115.26 114.06 1a49 n ASN 2063Ca 0.03 -1.78 -0.40 0.00 0.87 0.00 0.00 54.58 53.30 1a49 n ASN 2063Cb 0.28 -0.14 -0.05 0.00 -1.02 0.00 0.00 39.78 38.85 1a49 n ASN 2063CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a49 s ILE 2064N -1.73 4.84 0.10 2.41 1.01 -0.51 -4.96 121.20 122.37 1a49 s ILE 2064Ca 0.33 1.61 -0.30 0.00 0.00 0.00 0.00 60.65 62.29 1a49 s ILE 2064Cb 0.18 -4.11 -0.06 0.00 0.01 0.00 0.00 42.46 38.48 1a49 s ILE 2064CO 0.27 0.31 1.09 -0.54 0.00 0.00 0.00 174.94 176.07 1a49 s LYS 2065N 0.31 4.56 -0.25 2.79 -0.14 -0.81 -4.91 119.74 121.28 1a49 s LYS 2065Ca 0.40 1.64 -0.08 0.00 -1.36 0.00 0.00 55.97 56.56 1a49 s LYS 2065Cb -0.20 -3.34 -0.04 0.00 -1.68 0.00 0.00 37.83 32.57 1a49 s LYS 2065CO 0.22 -0.02 0.10 0.42 -0.76 0.00 0.00 175.35 175.30 1a49 s ILE 2066N 0.40 4.62 -0.31 2.17 1.01 -1.26 -0.57 121.20 127.26 1a49 s ILE 2066Ca 0.52 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 61.04 1a49 s ILE 2066Cb -0.27 -3.16 0.02 0.00 0.01 0.00 0.00 42.46 39.06 1a49 s ILE 2066CO 0.31 0.33 0.09 -0.63 0.00 0.00 0.00 174.94 175.04 1a49 s ILE 2067N 1.51 3.87 0.06 2.92 -1.09 -0.15 -0.73 121.20 127.59 1a49 s ILE 2067Ca 0.06 -0.88 -0.28 0.00 -2.23 0.00 0.00 60.65 57.32 1a49 s ILE 2067Cb -0.15 -3.07 -0.05 0.00 -1.58 0.00 0.00 42.46 37.60 1a49 s ILE 2067CO 0.05 -0.02 0.88 -0.44 -1.23 0.00 0.00 174.94 174.18 1a49 s SER 2068N 1.46 7.35 -0.22 3.58 0.01 -0.13 -1.02 113.70 124.73 1a49 s SER 2068Ca 0.01 1.62 -0.13 0.00 1.31 0.00 0.00 55.95 58.76 1a49 s SER 2068Cb -0.18 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 1a49 s SER 2068CO 0.02 -0.07 0.26 -0.54 0.41 0.00 0.00 173.24 173.33 1a49 s LYS 2069N 0.16 4.13 -0.33 12.44 1.02 -0.77 -0.45 119.74 135.94 1a49 s LYS 2069Ca 0.44 -0.05 -0.14 0.00 0.02 0.00 0.00 55.97 56.24 1a49 s LYS 2069Cb -0.22 -3.53 -0.02 0.00 -0.52 0.00 0.00 37.83 33.55 1a49 s LYS 2069CO 0.27 0.04 0.30 0.42 -0.92 0.00 0.00 175.35 175.46 1a49 s ILE 2070N 1.09 5.23 0.00 2.17 -1.09 -0.61 -2.18 121.20 125.81 1a49 s ILE 2070Ca 0.13 0.02 0.04 0.00 -2.23 0.00 0.00 60.65 58.61 1a49 s ILE 2070Cb -0.14 -3.73 0.07 0.00 -1.58 0.00 0.00 42.46 37.08 1a49 s ILE 2070CO 0.05 0.01 0.85 -1.84 -1.23 0.00 0.00 174.94 172.78 1a49 n GLU 2071N 5.24 0.00 -3.99 2.79 0.28 -1.26 -1.51 120.64 122.18 1a49 n GLU 2071Ca -0.11 -0.79 -0.09 0.00 -0.16 0.00 0.00 57.16 56.01 1a49 n GLU 2071Cb 0.50 -0.05 -0.06 0.00 1.43 0.00 0.00 31.44 33.26 1a49 n GLU 2071CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1a49 s ASN 2072N -0.79 -0.07 0.20 -1.84 4.22 -1.26 -3.28 114.94 112.11 1a49 s ASN 2072Ca 0.05 -0.93 -0.11 0.00 -2.14 0.00 0.00 52.86 49.74 1a49 s ASN 2072Cb 0.06 0.56 0.22 0.00 1.28 0.00 0.00 41.25 43.37 1a49 s ASN 2072CO -0.03 -1.09 1.77 -0.74 -2.04 0.00 0.00 177.10 174.97 1a49 h HIS 2073N 2.30 0.46 -0.73 1.54 -0.00 -1.93 -2.49 115.15 114.29 1a49 h HIS 2073Ca -0.27 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.12 1a49 h HIS 2073Cb 1.25 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 28.50 1a49 h HIS 2073CO 0.39 0.17 0.45 1.49 -0.00 0.00 0.00 177.93 180.43 1a49 h GLU 2074N 0.47 0.99 -0.14 5.26 4.81 -1.95 -0.39 114.58 123.63 1a49 h GLU 2074Ca 0.27 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1a49 h GLU 2074Cb 0.26 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1a49 h GLU 2074CO -0.24 0.69 -0.26 0.78 -0.73 0.00 0.00 179.01 179.26 1a49 h GLY 2075N 1.00 0.27 0.62 1.92 0.00 -1.66 -0.28 103.07 104.94 1a49 h GLY 2075Ca 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1a49 h GLY 2075CO -0.05 0.18 -0.16 -2.08 0.00 0.00 0.00 176.54 174.43 1a49 h VAL 2076N 0.22 0.62 -0.82 4.60 2.07 -0.77 -2.63 116.25 119.54 1a49 h VAL 2076Ca 0.04 -0.63 0.18 0.00 0.82 0.00 0.00 66.70 67.10 1a49 h VAL 2076Cb 0.58 0.91 -0.15 0.00 -1.52 0.00 0.00 31.29 31.11 1a49 h VAL 2076CO 0.04 0.11 -0.14 0.03 0.02 0.00 0.00 177.57 177.64 1a49 h ARG 2077N -0.83 0.02 -0.77 1.57 3.08 -1.05 0.16 114.38 116.56 1a49 h ARG 2077Ca -0.05 -0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.78 1a49 h ARG 2077Cb 0.52 -0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.44 1a49 h ARG 2077CO 0.07 0.01 0.28 0.54 -1.07 0.00 0.00 179.97 179.81 1a49 n ARG 2078N -5.49 3.64 -0.30 0.04 1.74 -0.12 -4.65 116.66 111.53 1a49 n ARG 2078Ca 0.13 -2.97 0.02 0.00 -0.77 0.00 0.00 57.85 54.26 1a49 n ARG 2078Cb 0.46 -2.20 0.16 0.00 -1.02 0.00 0.00 32.46 29.86 1a49 n ARG 2078CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1a49 h PHE 2079N 2.58 0.90 -0.42 -1.55 3.57 -0.56 -2.27 116.94 119.19 1a49 h PHE 2079Ca 0.27 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.87 1a49 h PHE 2079Cb 2.32 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 40.72 1a49 h PHE 2079CO 1.27 0.39 0.07 -0.44 -2.23 0.00 0.00 178.31 177.37 1a49 h ASP 2080N 0.84 -0.01 -0.27 0.41 3.32 -1.82 0.35 116.42 119.24 1a49 h ASP 2080Ca 0.39 0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.41 1a49 h ASP 2080Cb 0.31 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1a49 h ASP 2080CO -0.23 0.03 -0.20 1.05 -1.72 0.00 0.00 179.24 178.17 1a49 h GLU 2081N 0.20 0.73 0.46 3.56 4.11 -1.88 -2.59 114.58 119.16 1a49 h GLU 2081Ca 0.20 -0.28 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 1a49 h GLU 2081Cb 0.26 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1a49 h GLU 2081CO -0.28 0.87 -0.23 0.82 0.07 0.00 0.00 179.01 180.27 1a49 h ILE 2082N 0.64 0.53 -0.57 -1.06 1.08 -0.62 -2.94 117.51 114.57 1a49 h ILE 2082Ca 0.10 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.67 1a49 h ILE 2082Cb 0.69 0.53 -0.08 0.00 -3.07 0.00 0.00 36.82 34.88 1a49 h ILE 2082CO 0.05 0.00 0.12 0.25 -0.69 0.00 0.00 178.15 177.88 1a49 h LEU 2083N -0.63 0.01 -1.18 1.44 5.85 -0.97 -0.47 115.31 119.35 1a49 h LEU 2083Ca -0.06 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1a49 h LEU 2083Cb 0.49 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1a49 h LEU 2083CO 0.09 0.02 0.56 -0.08 -0.34 0.00 0.00 178.44 178.69 1a49 h GLU 2084N 0.26 1.07 0.00 1.25 4.81 -1.42 -2.52 114.58 118.02 1a49 h GLU 2084Ca 0.29 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1a49 h GLU 2084Cb 0.42 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1a49 h GLU 2084CO -0.38 0.71 -0.36 0.00 -0.73 0.00 0.00 179.01 178.25 1a49 n ALA 2085N -2.41 2.69 -1.99 2.92 0.00 -0.72 -4.93 120.51 116.08 1a49 n ALA 2085Ca 0.10 -0.16 -0.21 0.00 0.00 0.00 0.00 53.44 53.17 1a49 n ALA 2085Cb 0.06 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.26 1a49 n ALA 2085CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1a49 s SER 2086N -4.23 5.22 0.16 0.00 0.01 -0.27 -4.94 113.70 109.66 1a49 s SER 2086Ca 0.08 -0.18 0.23 0.00 1.31 0.00 0.00 55.95 57.40 1a49 s SER 2086Cb 0.13 -0.65 0.21 0.00 0.21 0.00 0.00 66.02 65.92 1a49 s SER 2086CO 0.67 -1.17 1.22 0.44 0.41 0.00 0.00 173.24 174.81 1a49 h ASP 2087N 0.11 0.00 0.00 2.44 3.32 -1.23 -3.48 116.42 117.57 1a49 h ASP 2087Ca -0.40 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.51 1a49 h ASP 2087Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1a49 h ASP 2087CO 0.49 0.07 0.00 0.61 -1.72 0.00 0.00 179.24 178.69 1a49 n GLY 2088N 1.27 -0.69 3.21 2.75 0.00 -0.99 -4.31 105.19 106.43 1a49 n GLY 2088Ca 0.02 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 1a49 n GLY 2088CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a49 s ILE 2089N -2.00 0.96 -0.04 -0.61 -1.09 -0.39 -0.96 121.20 117.07 1a49 s ILE 2089Ca 0.00 -1.94 0.03 0.00 -2.23 0.00 0.00 60.65 56.51 1a49 s ILE 2089Cb 0.00 -1.70 0.00 0.00 -1.58 0.00 0.00 42.46 39.19 1a49 s ILE 2089CO 0.00 -0.75 -0.13 -0.32 -1.23 0.00 0.00 174.94 172.50 1a49 s MET 2090N -3.59 1.52 -0.61 2.79 -2.45 0.40 -1.79 119.30 115.57 1a49 s MET 2090Ca 0.13 -0.46 -0.22 0.00 -1.25 0.00 0.00 55.69 53.88 1a49 s MET 2090Cb 0.02 -1.32 0.06 0.00 1.25 0.00 0.00 34.83 34.85 1a49 s MET 2090CO -0.01 0.14 0.90 0.08 1.05 0.00 0.00 175.02 177.18 1a49 s VAL 2091N 0.27 4.44 -1.20 10.11 1.01 0.22 -1.58 120.40 133.67 1a49 s VAL 2091Ca -0.07 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 1a49 s VAL 2091Cb -0.12 -4.58 0.20 0.00 0.00 0.00 0.00 36.38 31.87 1a49 s VAL 2091CO 0.02 -1.26 1.49 0.00 0.00 0.00 0.00 175.10 175.35 1a49 n ALA 2092N 7.37 4.36 0.21 5.51 0.00 -0.57 -2.46 120.51 134.93 1a49 n ALA 2092Ca -0.03 -4.37 0.12 0.00 0.00 0.00 0.00 53.44 49.17 1a49 n ALA 2092Cb 0.46 -2.90 0.71 0.00 0.00 0.00 0.00 19.45 17.73 1a49 n ALA 2092CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a49 h ARG 2093N 6.62 0.00 0.58 0.00 3.08 -1.81 -1.55 114.38 121.31 1a49 h ARG 2093Ca 0.31 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 1a49 h ARG 2093Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1a49 h ARG 2093CO 1.30 0.00 -0.33 0.78 -1.07 0.00 0.00 179.97 180.65 1a49 h GLY 2094N 0.00 -0.99 0.97 0.04 0.00 -1.86 0.10 103.07 101.32 1a49 h GLY 2094Ca 0.06 0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.70 1a49 h GLY 2094CO -0.00 -0.34 -0.11 -0.55 0.00 0.00 0.00 176.54 175.53 1a49 h ASP 2095N -0.84 0.75 -0.57 0.19 3.32 -1.85 -3.27 116.42 114.13 1a49 h ASP 2095Ca -0.08 -0.37 0.10 0.00 0.02 0.00 0.00 57.03 56.69 1a49 h ASP 2095Cb 0.67 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 39.94 1a49 h ASP 2095CO 0.09 0.95 0.16 0.25 -1.72 0.00 0.00 179.24 178.97 1a49 h LEU 2096N 0.53 0.09 0.00 1.55 5.85 -1.22 0.26 115.31 122.37 1a49 h LEU 2096Ca 0.09 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1a49 h LEU 2096Cb 0.64 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1a49 h LEU 2096CO 0.04 0.06 0.00 0.61 -0.34 0.00 0.00 178.44 178.82 1a49 n GLY 2097N -1.30 -0.97 0.05 3.75 0.00 0.35 -0.01 105.19 107.06 1a49 n GLY 2097Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 1a49 n GLY 2097CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1a49 n ILE 2098N -1.47 0.71 -0.02 -0.61 0.13 -0.45 -3.68 119.36 113.97 1a49 n ILE 2098Ca 0.04 -0.49 -0.10 0.00 -1.10 0.00 0.00 62.75 61.10 1a49 n ILE 2098Cb 0.16 -0.52 0.04 0.00 -0.84 0.00 0.00 39.64 38.48 1a49 n ILE 2098CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 1a49 h GLU 2099N 0.00 0.62 -5.55 9.51 4.57 0.20 -3.45 114.58 120.48 1a49 h GLU 2099Ca -0.28 -0.38 -0.55 0.00 -1.18 0.00 0.00 59.36 56.97 1a49 h GLU 2099Cb 1.57 0.04 -0.14 0.00 -0.16 0.00 0.00 28.75 30.06 1a49 h GLU 2099CO 0.02 1.00 -0.64 0.96 -1.18 0.00 0.00 179.01 179.16 1a49 s ILE 2100N -4.05 1.73 -0.01 2.32 -4.36 0.99 -4.80 121.20 113.02 1a49 s ILE 2100Ca -0.08 -2.08 -0.35 0.00 -0.26 0.00 0.00 60.65 57.88 1a49 s ILE 2100Cb 0.11 -2.71 -0.14 0.00 1.25 0.00 0.00 42.46 40.97 1a49 s ILE 2100CO 0.85 -0.13 1.67 -2.65 0.24 0.00 0.00 174.94 174.92 1a49 n PRO 2101N -0.75 1.83 -0.09 0.37 -0.02 -1.26 -4.47 135.00 130.61 1a49 n PRO 2101Ca -0.04 0.67 0.18 0.00 -2.02 0.00 0.00 63.50 62.28 1a49 n PRO 2101Cb 0.65 -2.43 0.60 0.00 -0.02 0.00 0.00 33.50 32.30 1a49 n PRO 2101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a49 h ALA 2102N 7.06 2.32 0.00 3.55 0.00 -1.90 0.56 119.26 130.85 1a49 h ALA 2102Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1a49 h ALA 2102Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1a49 h ALA 2102CO 0.90 -0.50 0.00 -0.85 0.00 0.00 0.00 179.25 178.80 1a49 n GLU 2103N -4.42 0.21 -0.05 0.00 0.00 -1.26 -2.72 120.64 112.40 1a49 n GLU 2103Ca 0.12 0.09 0.11 0.00 0.00 0.00 0.00 57.16 57.48 1a49 n GLU 2103Cb 0.58 -1.50 0.12 0.00 0.00 0.00 0.00 31.44 30.64 1a49 n GLU 2103CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1a49 n LYS 2104N -1.36 2.16 -0.20 3.44 5.02 0.19 -4.51 118.16 122.91 1a49 n LYS 2104Ca 0.09 -1.92 -0.06 0.00 -2.02 0.00 0.00 58.31 54.40 1a49 n LYS 2104Cb 0.21 -1.44 0.04 0.00 -0.02 0.00 0.00 35.03 33.82 1a49 n LYS 2104CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a49 h VAL 2105N 4.29 1.13 -0.53 -0.18 2.07 -1.48 -1.86 116.25 119.69 1a49 h VAL 2105Ca 0.00 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.29 1a49 h VAL 2105Cb 0.93 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1a49 h VAL 2105CO 0.00 0.14 0.35 2.19 0.02 0.00 0.00 177.57 180.27 1a49 h PHE 2106N 0.75 0.60 -0.02 1.57 -0.00 -1.82 0.43 116.94 118.46 1a49 h PHE 2106Ca 0.21 0.01 -0.00 0.00 -0.00 0.00 0.00 57.97 58.20 1a49 h PHE 2106Cb -0.06 -0.20 -0.00 0.00 -0.00 0.00 0.00 35.95 35.69 1a49 h PHE 2106CO -0.04 0.36 0.01 -0.07 -0.00 0.00 0.00 178.31 178.57 1a49 h LEU 2107N 0.63 0.02 -0.56 2.10 3.38 -1.64 0.35 115.31 119.59 1a49 h LEU 2107Ca 0.21 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1a49 h LEU 2107Cb 0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1a49 h LEU 2107CO -0.05 0.12 0.37 0.00 0.09 0.00 0.00 178.44 178.96 1a49 h ALA 2108N 0.91 0.71 -0.10 1.53 0.00 -0.98 0.22 119.26 121.55 1a49 h ALA 2108Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1a49 h ALA 2108Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1a49 h ALA 2108CO -0.00 0.13 -0.04 0.37 0.00 0.00 0.00 179.25 179.71 1a49 h GLN 2109N 0.74 -0.03 -0.20 0.00 4.15 0.01 0.51 115.11 120.31 1a49 h GLN 2109Ca 0.21 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.54 1a49 h GLN 2109Cb -0.08 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 1a49 h GLN 2109CO -0.05 -0.02 -0.20 0.87 -1.93 0.00 0.00 178.83 177.50 1a49 h LYS 2110N -0.03 0.48 -0.40 1.69 1.57 0.11 -2.61 116.57 117.39 1a49 h LYS 2110Ca 0.05 -0.26 0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1a49 h LYS 2110Cb 0.10 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 1a49 h LYS 2110CO -0.11 0.83 -0.10 1.98 -0.57 0.00 0.00 179.45 181.48 1a49 h MET 2111N 0.15 -0.00 -0.30 3.15 4.05 -0.47 -1.40 114.93 120.10 1a49 h MET 2111Ca 0.03 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.46 1a49 h MET 2111Cb 0.75 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 1a49 h MET 2111CO 0.05 -0.00 0.17 0.82 0.23 0.00 0.00 176.91 178.18 1a49 h ILE 2112N -0.00 1.03 -0.53 1.77 2.04 -0.85 0.11 117.51 121.08 1a49 h ILE 2112Ca 0.19 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.88 1a49 h ILE 2112Cb 0.30 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1a49 h ILE 2112CO -0.41 0.06 0.12 0.40 0.00 0.00 0.00 178.15 178.32 1a49 h ILE 2113N 0.35 1.25 -0.30 -0.67 2.04 -1.40 0.26 117.51 119.04 1a49 h ILE 2113Ca 0.12 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 1a49 h ILE 2113Cb 0.00 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1a49 h ILE 2113CO -0.06 0.32 0.15 1.23 0.00 0.00 0.00 178.15 179.80 1a49 h GLY 2114N 0.75 0.45 0.74 5.37 0.00 -0.88 0.33 103.07 109.84 1a49 h GLY 2114Ca 0.17 -0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.33 1a49 h GLY 2114CO 0.00 0.21 0.38 3.21 0.00 0.00 0.00 176.54 180.34 1a49 h ARG 2115N 0.35 0.70 -0.20 4.80 3.08 -0.72 1.27 114.38 123.66 1a49 h ARG 2115Ca 0.10 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.97 1a49 h ARG 2115Cb 0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1a49 h ARG 2115CO -0.01 0.46 -0.46 0.00 -1.07 0.00 0.00 179.97 178.89 1a49 h ASN 2117N 0.41 -0.16 -0.11 0.00 -0.26 0.25 0.60 115.58 116.31 1a49 h ASN 2117Ca 0.03 -0.05 0.05 0.00 -0.56 0.00 0.00 56.30 55.76 1a49 h ASN 2117Cb 0.96 0.04 -0.06 0.00 -1.06 0.00 0.00 38.32 38.21 1a49 h ASN 2117CO 0.09 -0.05 -0.27 -0.09 -1.06 0.00 0.00 177.43 176.04 1a49 h ARG 2118N -0.26 -0.34 0.00 0.81 2.43 0.18 -2.07 114.38 115.13 1a49 h ARG 2118Ca -0.02 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1a49 h ARG 2118Cb 0.20 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1a49 h ARG 2118CO 0.03 -0.23 -0.03 0.00 -1.51 0.00 0.00 179.97 178.24 1a49 h ALA 2119N 0.53 1.07 0.00 2.80 0.00 -0.21 -3.47 119.26 119.98 1a49 h ALA 2119Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1a49 h ALA 2119Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1a49 h ALA 2119CO -0.31 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.38 1a49 n GLY 2120N -0.58 0.39 3.61 0.00 0.00 0.20 -5.03 105.19 103.77 1a49 n GLY 2120Ca -0.01 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 1a49 n GLY 2120CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a49 s LYS 2121N -1.89 2.52 0.20 1.61 1.02 -0.29 -4.96 119.74 117.95 1a49 s LYS 2121Ca 0.00 -0.76 -0.33 0.00 0.02 0.00 0.00 55.97 54.91 1a49 s LYS 2121Cb 0.00 -2.50 -0.13 0.00 -0.52 0.00 0.00 37.83 34.69 1a49 s LYS 2121CO 0.00 0.59 1.63 -2.30 -0.92 0.00 0.00 175.35 174.35 1a49 n PRO 2122N 1.35 2.46 -4.81 -1.68 -0.02 -1.26 -4.35 135.00 126.69 1a49 n PRO 2122Ca -0.15 0.88 -0.25 0.00 -2.02 0.00 0.00 63.50 61.97 1a49 n PRO 2122Cb 0.52 -2.68 -0.15 0.00 -0.02 0.00 0.00 33.50 31.17 1a49 n PRO 2122CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a49 s VAL 2123N 0.86 1.41 -0.08 -1.45 0.11 -1.26 -1.26 120.40 118.72 1a49 s VAL 2123Ca 0.75 -0.80 0.05 0.00 -2.93 0.00 0.00 61.98 59.05 1a49 s VAL 2123Cb -0.59 -1.18 -0.01 0.00 -1.53 0.00 0.00 36.38 33.08 1a49 s VAL 2123CO 0.37 0.36 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.64 1a49 s ILE 2124N -0.46 2.15 -0.17 7.04 1.01 -0.74 0.12 121.20 130.14 1a49 s ILE 2124Ca 0.07 -1.01 -0.12 0.00 0.00 0.00 0.00 60.65 59.58 1a49 s ILE 2124Cb -0.07 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 1a49 s ILE 2124CO -0.00 0.56 0.23 0.00 0.00 0.00 0.00 174.94 175.73 1a49 s ALA 2126N 0.39 0.08 0.00 0.00 0.00 -1.03 -2.02 121.76 119.19 1a49 s ALA 2126Ca 0.13 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1a49 s ALA 2126Cb -0.12 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.25 1a49 s ALA 2126CO 0.02 -0.31 0.00 2.41 0.00 0.00 0.00 175.76 177.87 1a49 n THR 2127N 0.71 -1.33 -2.09 0.00 -1.04 -1.26 -3.28 114.28 105.99 1a49 n THR 2127Ca -0.18 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.62 1a49 n THR 2127Cb 0.59 -1.33 -0.04 0.00 -1.82 0.00 0.00 70.33 67.73 1a49 n THR 2127CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a49 n GLN 2128N 0.51 -1.61 -0.13 -2.82 6.02 -1.26 -4.78 117.38 113.32 1a49 n GLN 2128Ca 0.00 1.09 -0.12 0.00 -0.01 0.00 0.00 57.00 57.95 1a49 n GLN 2128Cb 0.00 -5.64 -0.02 0.00 1.02 0.00 0.00 30.24 25.60 1a49 n GLN 2128CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1a49 h MET 2129N 0.00 0.89 -0.08 -1.09 2.86 -1.88 -3.23 114.93 112.39 1a49 h MET 2129Ca -0.47 -0.41 -0.10 0.00 -2.06 0.00 0.00 59.70 56.66 1a49 h MET 2129Cb 1.36 -0.01 -0.14 0.00 0.06 0.00 0.00 31.60 32.87 1a49 h MET 2129CO 0.60 1.06 -0.67 1.28 1.06 0.00 0.00 176.91 180.24 1a49 n LEU 2130N -4.17 2.51 -0.30 1.22 4.77 -1.26 -4.60 117.00 115.17 1a49 n LEU 2130Ca -0.01 -3.54 0.08 0.00 -0.03 0.00 0.00 56.01 52.51 1a49 n LEU 2130Cb 0.47 -0.36 0.17 0.00 -2.33 0.00 0.00 43.42 41.37 1a49 n LEU 2130CO 0.46 1.26 0.61 1.21 -1.33 0.00 0.00 177.39 179.60 1a49 n GLU 2131N -0.71 -0.07 0.16 3.23 4.07 -1.22 0.52 120.64 126.62 1a49 n GLU 2131Ca 0.18 1.29 0.14 0.00 -0.06 0.00 0.00 57.16 58.71 1a49 n GLU 2131Cb 0.82 -1.98 0.69 0.00 -0.06 0.00 0.00 31.44 30.91 1a49 n GLU 2131CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1a49 h SER 2132N 0.00 0.00 0.56 4.31 4.64 -1.92 -1.72 113.55 119.42 1a49 h SER 2132Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1a49 h SER 2132Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1a49 h SER 2132CO -0.84 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.35 1a49 n MET 2133N -4.38 0.06 -0.23 4.77 2.81 0.19 -1.23 117.12 119.10 1a49 n MET 2133Ca 0.02 0.31 0.01 0.00 -1.81 0.00 0.00 57.70 56.23 1a49 n MET 2133Cb 0.31 -1.61 0.25 0.00 -0.71 0.00 0.00 33.22 31.46 1a49 n MET 2133CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1a49 h ILE 2134N 0.00 1.17 0.00 2.02 2.04 -1.45 -3.34 117.51 117.95 1a49 h ILE 2134Ca 0.00 -0.35 -0.37 0.00 1.00 0.00 0.00 64.86 65.14 1a49 h ILE 2134Cb 0.28 0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 36.37 1a49 h ILE 2134CO 0.00 0.18 -2.29 0.29 0.00 0.00 0.00 178.15 176.33 1a49 n LYS 2135N -4.43 0.52 -3.56 2.37 4.76 -0.99 0.72 118.16 117.55 1a49 n LYS 2135Ca 0.09 0.18 -0.27 0.00 -2.87 0.00 0.00 58.31 55.44 1a49 n LYS 2135Cb 0.06 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 31.83 1a49 n LYS 2135CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a49 s LYS 2136N -2.44 3.55 0.00 1.97 1.02 -0.37 -4.81 119.74 118.66 1a49 s LYS 2136Ca -0.32 -0.25 0.15 0.00 0.02 0.00 0.00 55.97 55.58 1a49 s LYS 2136Cb 0.10 -2.76 0.53 0.00 -0.52 0.00 0.00 37.83 35.18 1a49 s LYS 2136CO 0.46 0.32 1.40 -0.35 -0.92 0.00 0.00 175.35 176.26 1a49 n PRO 2137N -0.89 1.73 -4.03 -1.68 -0.04 -1.26 -4.13 135.00 124.70 1a49 n PRO 2137Ca -0.04 -1.11 -0.13 0.00 -0.04 0.00 0.00 63.50 62.18 1a49 n PRO 2137Cb 0.54 -1.32 -0.13 0.00 -0.04 0.00 0.00 33.50 32.55 1a49 n PRO 2137CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1a49 s ARG 2138N -1.68 0.35 0.68 0.54 0.52 -1.26 -4.91 118.95 113.18 1a49 s ARG 2138Ca 0.27 -0.43 -0.09 0.00 -0.52 0.00 0.00 55.73 54.96 1a49 s ARG 2138Cb 0.14 -0.17 0.03 0.00 0.52 0.00 0.00 34.95 35.47 1a49 s ARG 2138CO 0.20 0.03 1.03 -1.25 0.02 0.00 0.00 175.30 175.34 1a49 s PRO 2139N -0.87 2.69 0.98 3.54 0.04 -1.26 -4.53 135.00 135.59 1a49 s PRO 2139Ca -0.06 0.17 -0.15 0.00 0.04 0.00 0.00 61.00 61.00 1a49 s PRO 2139Cb -0.06 -2.12 0.19 0.00 0.04 0.00 0.00 34.50 32.55 1a49 s PRO 2139CO -0.00 -1.01 1.24 0.95 0.04 0.00 0.00 177.00 178.22 1a49 s THR 2140N -3.25 1.93 0.22 1.26 -4.23 -1.26 -4.82 115.64 105.48 1a49 s THR 2140Ca 0.57 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 61.06 1a49 s THR 2140Cb -0.11 -2.87 -0.00 0.00 1.34 0.00 0.00 72.50 70.86 1a49 s THR 2140CO 0.48 0.00 1.59 0.03 -0.54 0.00 0.00 174.62 176.18 1a49 h ARG 2141N -1.71 0.61 -0.23 3.99 2.47 -1.99 -0.28 114.38 117.24 1a49 h ARG 2141Ca -0.46 -0.30 -0.11 0.00 -1.26 0.00 0.00 59.98 57.85 1a49 h ARG 2141Cb 1.27 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.58 1a49 h ARG 2141CO 0.45 0.90 -0.33 0.00 0.56 0.00 0.00 179.97 181.55 1a49 h ALA 2142N 1.07 1.00 -0.09 0.04 0.00 -1.99 -2.44 119.26 116.84 1a49 h ALA 2142Ca 0.05 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1a49 h ALA 2142Cb 0.90 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1a49 h ALA 2142CO 0.08 0.60 -0.06 0.93 0.00 0.00 0.00 179.25 180.80 1a49 h GLU 2143N 0.42 0.21 -0.59 0.00 5.08 -1.74 0.87 114.58 118.82 1a49 h GLU 2143Ca 0.05 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1a49 h GLU 2143Cb 0.78 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1a49 h GLU 2143CO 0.06 0.59 0.39 0.78 -1.00 0.00 0.00 179.01 179.83 1a49 h GLY 2144N -0.17 0.75 0.67 -3.84 0.00 -0.96 -2.71 103.07 96.82 1a49 h GLY 2144Ca 0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 1a49 h GLY 2144CO 0.02 0.21 -0.18 0.23 0.00 0.00 0.00 176.54 176.82 1a49 h SER 2145N 0.64 0.33 -0.53 0.19 0.87 -1.15 -2.66 113.55 111.24 1a49 h SER 2145Ca 0.24 -0.55 0.10 0.00 -1.23 0.00 0.00 61.79 60.36 1a49 h SER 2145Cb 0.17 -0.09 -0.11 0.00 -0.44 0.00 0.00 62.40 61.93 1a49 h SER 2145CO -0.07 0.81 -0.22 -0.78 -0.53 0.00 0.00 176.83 176.04 1a49 h ASP 2146N -0.15 -0.77 -0.19 6.23 3.58 -0.56 0.72 116.42 125.28 1a49 h ASP 2146Ca 0.01 0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 1a49 h ASP 2146Cb 0.75 0.43 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 1a49 h ASP 2146CO 0.04 -0.25 0.08 0.58 -2.88 0.00 0.00 179.24 176.81 1a49 h VAL 2147N -0.10 1.15 -0.68 2.25 2.07 -1.51 0.33 116.25 119.77 1a49 h VAL 2147Ca 0.24 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1a49 h VAL 2147Cb 0.48 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1a49 h VAL 2147CO -0.59 0.15 0.34 0.00 0.02 0.00 0.00 177.57 177.49 1a49 h ALA 2148N 0.92 0.88 -0.03 1.67 0.00 -0.96 -2.43 119.26 119.31 1a49 h ALA 2148Ca 0.06 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1a49 h ALA 2148Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1a49 h ALA 2148CO -0.01 0.42 -0.43 -0.91 0.00 0.00 0.00 179.25 178.32 1a49 h ASN 2149N 0.94 0.07 -0.49 0.00 4.21 0.79 -1.54 115.58 119.57 1a49 h ASN 2149Ca 0.24 -0.03 -0.09 0.00 1.21 0.00 0.00 56.30 57.63 1a49 h ASN 2149Cb 0.09 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.25 1a49 h ASN 2149CO -0.03 0.50 -0.05 0.00 -1.29 0.00 0.00 177.43 176.56 1a49 h ALA 2150N 1.51 0.66 -0.65 -0.83 0.00 -0.12 0.11 119.26 119.94 1a49 h ALA 2150Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1a49 h ALA 2150Cb 0.79 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1a49 h ALA 2150CO 0.06 0.51 0.24 0.28 0.00 0.00 0.00 179.25 180.34 1a49 h VAL 2151N 0.75 1.24 -0.78 0.00 2.07 -1.11 -0.99 116.25 117.43 1a49 h VAL 2151Ca 0.13 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1a49 h VAL 2151Cb 0.58 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1a49 h VAL 2151CO 0.03 0.30 0.29 -0.07 0.02 0.00 0.00 177.57 178.15 1a49 h LEU 2152N 0.92 1.08 -1.84 2.57 3.38 -1.18 -0.03 115.31 120.21 1a49 h LEU 2152Ca 0.21 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1a49 h LEU 2152Cb 0.23 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1a49 h LEU 2152CO -0.01 0.97 0.19 0.44 0.09 0.00 0.00 178.44 180.11 1a49 h ASP 2153N 1.14 0.17 0.00 -0.43 3.32 -0.17 -3.46 116.42 116.99 1a49 h ASP 2153Ca 0.26 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1a49 h ASP 2153Cb 0.24 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1a49 h ASP 2153CO -0.02 0.12 0.00 0.61 -1.72 0.00 0.00 179.24 178.23 1a49 n GLY 2154N -1.54 1.72 3.77 2.75 0.00 -0.02 -4.69 105.19 107.17 1a49 n GLY 2154Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1a49 n GLY 2154CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 s ALA 2155N -2.00 3.50 0.14 4.61 0.00 -0.79 -4.90 121.76 122.32 1a49 s ALA 2155Ca 0.00 1.26 -0.03 0.00 0.00 0.00 0.00 51.96 53.19 1a49 s ALA 2155Cb 0.00 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1a49 s ALA 2155CO 0.00 -0.64 1.34 -0.44 0.00 0.00 0.00 175.76 176.02 1a49 h ASP 2156N 3.42 0.49 -5.05 0.00 5.19 -0.63 -3.45 116.42 116.40 1a49 h ASP 2156Ca -0.49 -0.38 -0.16 0.00 -0.62 0.00 0.00 57.03 55.39 1a49 h ASP 2156Cb 1.23 -0.15 -0.19 0.00 0.18 0.00 0.00 39.33 40.40 1a49 h ASP 2156CO 0.66 1.16 -0.69 0.00 -3.12 0.00 0.00 179.24 177.24 1a49 s ILE 2158N -2.45 2.18 0.04 0.00 -4.36 -0.23 -1.84 121.20 114.54 1a49 s ILE 2158Ca -0.06 -2.10 -0.01 0.00 -0.26 0.00 0.00 60.65 58.23 1a49 s ILE 2158Cb -0.03 -2.80 -0.03 0.00 1.25 0.00 0.00 42.46 40.85 1a49 s ILE 2158CO -0.04 -0.12 -0.03 -0.32 0.24 0.00 0.00 174.94 174.67 1a49 s MET 2159N -3.66 0.52 -0.06 0.37 1.75 -0.85 -2.13 119.30 115.23 1a49 s MET 2159Ca 0.34 -1.03 0.05 0.00 -1.25 0.00 0.00 55.69 53.80 1a49 s MET 2159Cb 0.05 0.17 -0.00 0.00 2.84 0.00 0.00 34.83 37.89 1a49 s MET 2159CO 0.17 -0.09 -0.20 -0.51 -0.65 0.00 0.00 175.02 173.75 1a49 s LEU 2160N -2.46 1.96 0.00 4.11 1.43 0.04 -4.11 118.68 119.64 1a49 s LEU 2160Ca -0.00 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1a49 s LEU 2160Cb 0.02 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 45.12 1a49 s LEU 2160CO -0.07 0.17 0.00 -1.20 0.23 0.00 0.00 176.35 175.48 1a49 n SER 2161N 3.18 0.00 -0.37 2.29 7.64 -1.26 -1.49 113.62 123.61 1a49 n SER 2161Ca -0.18 0.00 0.29 0.00 1.01 0.00 0.00 58.87 59.98 1a49 n SER 2161Cb 0.53 0.00 0.56 0.00 -1.01 0.00 0.00 64.21 64.28 1a49 n SER 2161CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1a49 h GLY 2162N 0.00 1.52 -0.60 0.23 0.00 -1.96 0.83 103.07 103.09 1a49 h GLY 2162Ca 0.00 -0.18 0.17 0.00 0.00 0.00 0.00 47.33 47.33 1a49 h GLY 2162CO 0.00 -0.36 -0.14 0.83 0.00 0.00 0.00 176.54 176.88 1a49 h GLU 2163N 0.25 0.02 0.00 4.80 3.07 -1.90 0.75 114.58 121.56 1a49 h GLU 2163Ca 0.73 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.55 1a49 h GLU 2163Cb 1.99 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.88 1a49 h GLU 2163CO -0.44 0.01 -1.95 0.25 -1.40 0.00 0.00 179.01 175.48 1a49 n THR 2164N -5.48 0.14 0.10 1.13 -2.24 -0.13 -3.83 114.28 103.96 1a49 n THR 2164Ca 0.13 -0.49 -0.16 0.00 -2.27 0.00 0.00 64.05 61.26 1a49 n THR 2164Cb 0.46 -0.02 -0.14 0.00 -2.10 0.00 0.00 70.33 68.53 1a49 n THR 2164CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a49 h ALA 2165N 1.73 0.12 0.00 6.98 0.00 -0.37 -3.28 119.26 124.44 1a49 h ALA 2165Ca -0.05 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1a49 h ALA 2165Cb 1.05 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1a49 h ALA 2165CO 0.00 0.99 0.00 0.36 0.00 0.00 0.00 179.25 180.61 1a49 n LYS 2166N -3.52 0.00 -1.16 0.00 2.85 -0.47 0.56 118.16 116.41 1a49 n LYS 2166Ca -0.10 -0.04 -0.30 0.00 -1.05 0.00 0.00 58.31 56.82 1a49 n LYS 2166Cb 1.03 -0.36 0.25 0.00 -0.65 0.00 0.00 35.03 35.30 1a49 n LYS 2166CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1a49 n GLY 2167N 0.00 -2.61 0.01 2.58 0.00 0.13 -4.77 105.19 100.52 1a49 n GLY 2167Ca 0.00 -1.52 0.12 0.00 0.00 0.00 0.00 46.02 44.62 1a49 n GLY 2167CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a49 n ASP 2168N -4.76 0.56 -3.04 1.61 8.00 0.22 -4.49 116.55 114.65 1a49 n ASP 2168Ca 0.15 -0.29 -0.17 0.00 0.71 0.00 0.00 54.79 55.19 1a49 n ASP 2168Cb 0.59 0.33 -0.02 0.00 -0.02 0.00 0.00 41.12 42.00 1a49 n ASP 2168CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1a49 n TYR 2169N -1.56 0.88 -0.17 1.24 4.01 -1.26 -4.96 117.16 115.34 1a49 n TYR 2169Ca 0.05 -3.62 -0.01 0.00 -0.16 0.00 0.00 57.90 54.16 1a49 n TYR 2169Cb 0.35 -0.41 0.08 0.00 -0.31 0.00 0.00 39.34 39.05 1a49 n TYR 2169CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a49 h PRO 2170N 2.99 0.25 -0.06 -0.72 0.13 -1.79 -2.24 132.00 130.56 1a49 h PRO 2170Ca 0.07 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 65.02 1a49 h PRO 2170Cb 0.96 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1a49 h PRO 2170CO 0.54 0.17 -0.69 -0.07 -0.23 0.00 0.00 178.00 177.72 1a49 h LEU 2171N 0.26 0.32 0.32 1.56 3.38 -1.92 -2.78 115.31 116.44 1a49 h LEU 2171Ca 0.27 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1a49 h LEU 2171Cb 0.37 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1a49 h LEU 2171CO -0.34 0.91 -0.16 -0.33 0.09 0.00 0.00 178.44 178.62 1a49 h GLU 2172N 0.18 -0.42 -0.98 1.13 3.07 -1.88 -2.01 114.58 113.67 1a49 h GLU 2172Ca -0.02 0.03 0.19 0.00 -0.50 0.00 0.00 59.36 59.06 1a49 h GLU 2172Cb 1.24 0.10 -0.19 0.00 -0.84 0.00 0.00 28.75 29.06 1a49 h GLU 2172CO 0.11 -0.18 -0.25 0.00 -1.40 0.00 0.00 179.01 177.29 1a49 h ALA 2173N 0.02 0.62 0.54 3.43 0.00 -1.40 0.18 119.26 122.65 1a49 h ALA 2173Ca -0.04 0.38 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1a49 h ALA 2173Cb 0.44 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1a49 h ALA 2173CO 0.07 -0.40 -0.32 0.28 0.00 0.00 0.00 179.25 178.89 1a49 h VAL 2174N -0.00 0.35 0.00 0.00 2.07 -1.30 -1.57 116.25 115.79 1a49 h VAL 2174Ca 0.46 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.97 1a49 h VAL 2174Cb 0.71 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1a49 h VAL 2174CO -1.01 0.00 -0.08 0.03 0.02 0.00 0.00 177.57 176.53 1a49 h ARG 2175N -0.81 0.00 -0.28 1.57 3.08 -0.19 -1.12 114.38 116.62 1a49 h ARG 2175Ca -0.07 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.84 1a49 h ARG 2175Cb 0.65 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 1a49 h ARG 2175CO 0.07 0.08 -0.37 1.98 -1.07 0.00 0.00 179.97 180.66 1a49 h MET 2176N 0.00 0.76 -0.47 0.04 4.05 -0.32 0.53 114.93 119.52 1a49 h MET 2176Ca -0.00 -0.43 0.02 0.00 -0.28 0.00 0.00 59.70 59.00 1a49 h MET 2176Cb 0.14 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.95 1a49 h MET 2176CO 0.01 1.06 0.29 1.96 0.23 0.00 0.00 176.91 180.46 1a49 h GLN 2177N 0.51 0.57 -0.67 0.39 4.20 -0.45 -0.65 115.11 119.01 1a49 h GLN 2177Ca 0.03 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1a49 h GLN 2177Cb 0.96 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.55 1a49 h GLN 2177CO 0.09 0.38 0.33 1.25 -0.67 0.00 0.00 178.83 180.21 1a49 h HIS 2178N 0.59 0.60 -0.22 2.96 2.76 -1.02 -1.10 115.15 119.72 1a49 h HIS 2178Ca 0.18 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.34 1a49 h HIS 2178Cb -0.01 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 1a49 h HIS 2178CO -0.06 0.23 -0.02 -0.07 -1.30 0.00 0.00 177.93 176.71 1a49 h LEU 2179N 0.58 0.40 -0.97 0.26 3.38 -0.31 -2.68 115.31 115.96 1a49 h LEU 2179Ca 0.32 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1a49 h LEU 2179Cb 0.30 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1a49 h LEU 2179CO -0.24 0.64 0.24 0.40 0.09 0.00 0.00 178.44 179.56 1a49 h ILE 2180N 0.15 1.24 -0.22 1.22 2.04 -0.74 -3.07 117.51 118.12 1a49 h ILE 2180Ca 0.06 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 1a49 h ILE 2180Cb 0.45 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1a49 h ILE 2180CO 0.02 0.30 0.10 0.00 0.00 0.00 0.00 178.15 178.57 1a49 h ALA 2181N 1.30 0.29 -0.40 1.87 0.00 -1.20 -0.04 119.26 121.08 1a49 h ALA 2181Ca 0.22 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1a49 h ALA 2181Cb 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1a49 h ALA 2181CO -0.01 -0.15 0.10 0.00 0.00 0.00 0.00 179.25 179.19 1a49 h ARG 2182N 0.23 0.58 0.42 0.00 3.08 -1.39 -1.42 114.38 115.88 1a49 h ARG 2182Ca 0.08 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1a49 h ARG 2182Cb 0.13 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1a49 h ARG 2182CO -0.01 0.53 -0.20 0.93 -1.07 0.00 0.00 179.97 180.15 1a49 h GLU 2183N 0.57 -0.55 -0.50 0.04 4.39 -1.38 -2.95 114.58 114.20 1a49 h GLU 2183Ca 0.13 0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.92 1a49 h GLU 2183Cb 0.21 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 1a49 h GLU 2183CO -0.00 -0.26 0.34 0.00 -1.16 0.00 0.00 179.01 177.93 1a49 h ALA 2184N -0.37 1.84 -0.16 3.43 0.00 -0.85 -2.43 119.26 120.72 1a49 h ALA 2184Ca -0.06 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1a49 h ALA 2184Cb 0.55 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1a49 h ALA 2184CO 0.10 0.09 -0.15 0.93 0.00 0.00 0.00 179.25 180.22 1a49 h GLU 2185N 0.50 -0.17 -0.43 0.00 5.08 -1.23 -0.21 114.58 118.12 1a49 h GLU 2185Ca 0.21 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1a49 h GLU 2185Cb 0.21 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1a49 h GLU 2185CO -0.06 -0.11 0.11 0.00 -1.00 0.00 0.00 179.01 177.96 1a49 h ALA 2186N 0.91 1.39 0.00 3.43 0.00 -1.27 -2.64 119.26 121.08 1a49 h ALA 2186Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1a49 h ALA 2186Cb 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1a49 h ALA 2186CO -0.26 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1a49 n ALA 2187N -2.47 2.22 -1.25 0.00 0.00 -0.14 -4.49 120.51 114.39 1a49 n ALA 2187Ca 0.03 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 1a49 n ALA 2187Cb 0.20 -1.35 0.09 0.00 0.00 0.00 0.00 19.45 18.39 1a49 n ALA 2187CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1a49 s MET 2188N -2.24 2.22 -0.90 0.00 -1.94 -0.90 -4.95 119.30 110.59 1a49 s MET 2188Ca 0.27 1.21 -0.01 0.00 -1.71 0.00 0.00 55.69 55.46 1a49 s MET 2188Cb 0.15 -1.89 0.27 0.00 2.01 0.00 0.00 34.83 35.36 1a49 s MET 2188CO 0.28 -1.67 1.05 0.34 -0.01 0.00 0.00 175.02 175.01 1a49 n PHE 2189N -3.47 3.39 -0.34 -0.03 7.35 -1.26 -4.87 117.46 118.22 1a49 n PHE 2189Ca 0.09 -3.56 0.04 0.00 -0.76 0.00 0.00 57.45 53.27 1a49 n PHE 2189Cb 0.53 -1.04 0.19 0.00 0.35 0.00 0.00 39.48 39.51 1a49 n PHE 2189CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1a49 h HIS 2190N 5.28 1.07 0.49 -5.13 3.86 -1.92 -1.09 115.15 117.71 1a49 h HIS 2190Ca 0.19 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 1a49 h HIS 2190Cb 0.70 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1a49 h HIS 2190CO 0.83 0.48 -0.23 -0.09 0.86 0.00 0.00 177.93 179.77 1a49 h ARG 2191N 0.99 -0.63 -0.86 2.45 1.12 -1.90 -1.18 114.38 114.37 1a49 h ARG 2191Ca 0.44 0.04 0.02 0.00 -1.11 0.00 0.00 59.98 59.37 1a49 h ARG 2191Cb 0.33 0.14 -0.05 0.00 -0.01 0.00 0.00 29.97 30.39 1a49 h ARG 2191CO -0.23 -0.35 0.57 -0.22 -3.11 0.00 0.00 179.97 176.63 1a49 h LYS 2192N -0.83 1.10 0.60 0.20 3.64 -1.91 -2.20 116.57 117.16 1a49 h LYS 2192Ca -0.07 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1a49 h LYS 2192Cb 0.58 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1a49 h LYS 2192CO 0.11 0.73 -0.48 1.25 -2.27 0.00 0.00 179.45 178.78 1a49 h LEU 2193N 1.13 -1.28 -0.65 5.20 5.85 -1.10 0.12 115.31 124.57 1a49 h LEU 2193Ca 0.33 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.28 1a49 h LEU 2193Cb -0.07 0.40 -0.11 0.00 0.37 0.00 0.00 40.66 41.25 1a49 h LEU 2193CO -0.09 -0.68 -0.03 0.15 -0.34 0.00 0.00 178.44 177.45 1a49 h PHE 2194N -1.05 -0.11 -0.81 1.25 3.57 -1.20 0.51 116.94 119.10 1a49 h PHE 2194Ca -0.08 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1a49 h PHE 2194Cb 0.88 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.73 1a49 h PHE 2194CO -0.19 -0.21 0.52 0.93 -2.23 0.00 0.00 178.31 177.14 1a49 h GLU 2195N 0.09 1.08 -0.07 1.11 5.08 -0.93 0.92 114.58 121.85 1a49 h GLU 2195Ca 0.34 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.48 1a49 h GLU 2195Cb 0.56 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1a49 h GLU 2195CO -0.59 0.73 -0.58 0.93 -1.00 0.00 0.00 179.01 178.50 1a49 h GLU 2196N 1.10 0.22 -0.12 2.33 5.08 0.20 -2.69 114.58 120.71 1a49 h GLU 2196Ca 0.30 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1a49 h GLU 2196Cb -0.10 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1a49 h GLU 2196CO -0.06 0.74 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.56 1a49 h LEU 2197N 0.17 0.27 -0.75 1.33 3.38 0.62 -2.53 115.31 117.78 1a49 h LEU 2197Ca -0.00 -0.42 0.16 0.00 0.09 0.00 0.00 57.88 57.70 1a49 h LEU 2197Cb 1.08 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.64 1a49 h LEU 2197CO 0.09 0.63 0.23 0.00 0.09 0.00 0.00 178.44 179.48 1a49 h ALA 2198N 0.64 1.02 -0.48 1.53 0.00 -0.77 -0.19 119.26 121.01 1a49 h ALA 2198Ca 0.03 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1a49 h ALA 2198Cb 0.53 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1a49 h ALA 2198CO 0.02 -0.30 -0.12 -0.09 0.00 0.00 0.00 179.25 178.75 1a49 h ARG 2199N 0.33 0.90 0.00 0.00 9.65 -1.41 -2.06 114.38 121.79 1a49 h ARG 2199Ca 0.43 -0.32 -0.04 0.00 -1.10 0.00 0.00 59.98 58.95 1a49 h ARG 2199Cb 0.72 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.23 1a49 h ARG 2199CO -0.48 0.97 -0.18 0.66 2.80 0.00 0.00 179.97 183.73 1a49 h SER 2200N 0.80 0.00 -0.38 -3.80 4.64 -0.60 -2.43 113.55 111.77 1a49 h SER 2200Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1a49 h SER 2200Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1a49 h SER 2200CO 0.05 0.18 0.00 -1.54 -0.87 0.00 0.00 176.83 174.65 1a49 n SER 2201N -3.35 3.86 -0.31 4.97 3.41 -0.95 -4.68 113.62 116.57 1a49 n SER 2201Ca 0.00 -2.57 0.12 0.00 -0.26 0.00 0.00 58.87 56.16 1a49 n SER 2201Cb 0.40 -0.46 0.29 0.00 -0.26 0.00 0.00 64.21 64.19 1a49 n SER 2201CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1a49 h SER 2202N 2.45 0.48 0.00 4.04 4.64 -0.86 -0.80 113.55 123.50 1a49 h SER 2202Ca 0.00 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1a49 h SER 2202Cb 1.25 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1a49 h SER 2202CO 0.17 0.11 0.03 1.12 -0.87 0.00 0.00 176.83 177.39 1a49 h HIS 2203N 0.52 0.00 -3.27 4.77 2.07 -1.84 -3.41 115.15 113.99 1a49 h HIS 2203Ca 0.54 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 57.50 1a49 h HIS 2203Cb 0.94 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.89 1a49 h HIS 2203CO -0.09 0.00 -0.15 0.45 -3.07 0.00 0.00 177.93 175.07 1a49 s SER 2204N -4.79 6.73 -0.01 3.10 0.15 -0.31 -4.98 113.70 113.60 1a49 s SER 2204Ca -0.04 0.95 0.02 0.00 0.70 0.00 0.00 55.95 57.58 1a49 s SER 2204Cb 0.11 -2.24 0.03 0.00 -1.71 0.00 0.00 66.02 62.21 1a49 s SER 2204CO 0.34 0.09 0.84 0.41 1.20 0.00 0.00 173.24 176.13 1a49 n THR 2205N 0.67 0.66 -1.52 6.45 -1.04 -1.26 -5.03 114.28 113.20 1a49 n THR 2205Ca -0.05 -0.70 -0.48 0.00 -2.04 0.00 0.00 64.05 60.77 1a49 n THR 2205Cb 0.52 0.60 -0.03 0.00 -1.82 0.00 0.00 70.33 69.60 1a49 n THR 2205CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1a49 n ASP 2206N -0.38 0.41 -0.19 8.00 2.03 -1.26 -4.84 116.55 120.32 1a49 n ASP 2206Ca 0.02 1.15 -0.07 0.00 0.52 0.00 0.00 54.79 56.40 1a49 n ASP 2206Cb 0.41 -1.12 0.02 0.00 -0.72 0.00 0.00 41.12 39.71 1a49 n ASP 2206CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1a49 h LEU 2207N 2.24 0.72 -0.37 -2.67 3.38 -1.99 -1.40 115.31 115.22 1a49 h LEU 2207Ca -0.38 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.35 1a49 h LEU 2207Cb 1.38 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1a49 h LEU 2207CO 0.63 0.64 -0.17 -0.03 0.09 0.00 0.00 178.44 179.60 1a49 h MET 2208N 0.74 0.78 -0.53 1.13 4.05 -1.93 -1.40 114.93 117.76 1a49 h MET 2208Ca 0.19 -0.34 0.10 0.00 -0.28 0.00 0.00 59.70 59.37 1a49 h MET 2208Cb 0.12 -0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 30.81 1a49 h MET 2208CO -0.02 0.95 0.03 0.93 0.23 0.00 0.00 176.91 179.03 1a49 h GLU 2209N 0.57 0.15 -0.08 0.39 5.08 -1.91 0.42 114.58 119.21 1a49 h GLU 2209Ca 0.08 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1a49 h GLU 2209Cb 0.72 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 1a49 h GLU 2209CO 0.05 0.10 -0.15 0.00 -1.00 0.00 0.00 179.01 178.01 1a49 h ALA 2210N 1.46 -0.11 -0.54 3.43 0.00 -1.02 0.20 119.26 122.68 1a49 h ALA 2210Ca 0.27 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1a49 h ALA 2210Cb 0.41 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1a49 h ALA 2210CO -0.42 -0.61 0.36 0.52 0.00 0.00 0.00 179.25 179.09 1a49 h MET 2211N -0.21 0.69 0.39 0.00 2.86 -0.17 -0.03 114.93 118.46 1a49 h MET 2211Ca 0.08 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1a49 h MET 2211Cb 0.31 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1a49 h MET 2211CO -0.20 0.45 -0.19 0.00 1.06 0.00 0.00 176.91 178.04 1a49 h ALA 2212N 1.67 -0.53 -0.77 6.32 0.00 1.00 -1.87 119.26 125.08 1a49 h ALA 2212Ca 0.20 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.10 1a49 h ALA 2212Cb -0.05 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 1a49 h ALA 2212CO -0.05 -0.56 0.22 0.52 0.00 0.00 0.00 179.25 179.38 1a49 h MET 2213N -1.00 0.29 -0.31 0.00 2.86 -0.53 0.56 114.93 116.80 1a49 h MET 2213Ca -0.05 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1a49 h MET 2213Cb 0.53 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1a49 h MET 2213CO 0.09 0.19 -0.05 0.78 1.06 0.00 0.00 176.91 178.98 1a49 h GLY 2214N 0.30 0.53 0.47 8.32 0.00 -1.02 -0.81 103.07 110.85 1a49 h GLY 2214Ca 0.44 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1a49 h GLY 2214CO -0.52 0.30 -0.07 1.76 0.00 0.00 0.00 176.54 178.02 1a49 h SER 2215N 0.46 0.10 0.14 0.19 0.02 0.81 -1.91 113.55 113.36 1a49 h SER 2215Ca 0.10 -0.61 0.01 0.00 -0.84 0.00 0.00 61.79 60.44 1a49 h SER 2215Cb 0.38 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1a49 h SER 2215CO 0.02 0.69 -0.15 0.58 -1.14 0.00 0.00 176.83 176.83 1a49 h VAL 2216N -0.48 0.66 -0.52 2.27 2.07 -0.40 -2.08 116.25 117.77 1a49 h VAL 2216Ca -0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1a49 h VAL 2216Cb 0.68 0.66 -0.09 0.00 -1.52 0.00 0.00 31.29 31.02 1a49 h VAL 2216CO 0.01 0.00 -0.51 -0.08 0.02 0.00 0.00 177.57 177.02 1a49 h GLU 2217N -0.32 -0.29 -0.29 1.57 4.57 -1.10 0.89 114.58 119.61 1a49 h GLU 2217Ca 0.01 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.28 1a49 h GLU 2217Cb 0.31 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1a49 h GLU 2217CO -0.05 -0.19 0.20 0.00 -1.18 0.00 0.00 179.01 177.79 1a49 h ALA 2218N 0.28 2.19 -0.07 2.92 0.00 -1.30 -1.98 119.26 121.30 1a49 h ALA 2218Ca 0.12 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 1a49 h ALA 2218Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1a49 h ALA 2218CO -0.66 -0.27 -0.84 0.66 0.00 0.00 0.00 179.25 178.15 1a49 h SER 2219N 0.06 0.68 -0.19 0.00 4.64 0.15 -1.24 113.55 117.64 1a49 h SER 2219Ca 0.13 -0.48 0.03 0.00 -0.47 0.00 0.00 61.79 61.00 1a49 h SER 2219Cb 0.46 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 1a49 h SER 2219CO -0.01 1.26 0.03 1.88 -0.87 0.00 0.00 176.83 179.12 1a49 h TYR 2220N 0.35 0.06 0.77 4.77 0.05 -0.63 0.16 116.97 122.50 1a49 h TYR 2220Ca -0.06 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.69 1a49 h TYR 2220Cb 1.46 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.21 1a49 h TYR 2220CO 0.07 0.02 -0.37 -0.22 -1.05 0.00 0.00 178.16 176.60 1a49 h LYS 2221N 0.11 -1.00 -0.01 4.88 1.63 -0.95 -1.91 116.57 119.32 1a49 h LYS 2221Ca 0.09 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1a49 h LYS 2221Cb 0.08 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1a49 h LYS 2221CO -0.12 -0.67 -0.01 0.00 -3.45 0.00 0.00 179.45 175.20 1a49 n LEU 2223N -0.49 -2.79 -4.39 0.00 4.77 0.49 -4.91 117.00 109.69 1a49 n LEU 2223Ca 0.21 -0.57 -0.37 0.00 -0.03 0.00 0.00 56.01 55.25 1a49 n LEU 2223Cb 0.24 -2.77 0.05 0.00 -2.33 0.00 0.00 43.42 38.61 1a49 n LEU 2223CO 0.18 0.47 -0.18 0.00 -1.33 0.00 0.00 177.39 176.53 1a49 n ALA 2224N -4.50 -2.06 0.47 -1.18 0.00 -0.76 -4.88 120.51 107.60 1a49 n ALA 2224Ca -0.00 -0.21 0.13 0.00 0.00 0.00 0.00 53.44 53.36 1a49 n ALA 2224Cb 0.56 -1.71 0.44 0.00 0.00 0.00 0.00 19.45 18.74 1a49 n ALA 2224CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a49 h ALA 2225N -0.26 1.00 -1.32 0.00 0.00 -0.80 -3.45 119.26 114.44 1a49 h ALA 2225Ca -0.45 0.00 0.30 0.00 0.00 0.00 0.00 54.91 54.76 1a49 h ALA 2225Cb 1.37 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.98 1a49 h ALA 2225CO 0.42 0.00 0.88 0.00 0.00 0.00 0.00 179.25 180.54 1a49 s ALA 2226N -3.25 -2.16 -0.16 0.00 0.00 -1.26 -4.17 121.76 110.76 1a49 s ALA 2226Ca 0.07 1.54 -0.03 0.00 0.00 0.00 0.00 51.96 53.53 1a49 s ALA 2226Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1a49 s ALA 2226CO 0.53 -0.67 -0.05 -0.51 0.00 0.00 0.00 175.76 175.06 1a49 s LEU 2227N -2.29 3.16 -0.26 0.00 1.02 0.51 -1.51 118.68 119.32 1a49 s LEU 2227Ca 0.11 -0.17 -0.11 0.00 0.02 0.00 0.00 54.13 53.98 1a49 s LEU 2227Cb 0.00 -1.76 -0.05 0.00 0.02 0.00 0.00 46.19 44.40 1a49 s LEU 2227CO -0.04 0.15 0.17 -0.63 0.02 0.00 0.00 176.35 176.02 1a49 s ILE 2228N 0.47 5.24 -0.18 -0.59 1.01 0.24 0.36 121.20 127.76 1a49 s ILE 2228Ca -0.04 0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.76 1a49 s ILE 2228Cb -0.14 -3.48 0.03 0.00 0.01 0.00 0.00 42.46 38.88 1a49 s ILE 2228CO 0.03 0.29 -0.17 -0.69 0.00 0.00 0.00 174.94 174.40 1a49 s VAL 2229N 1.50 1.94 -0.38 2.92 1.01 0.86 -0.16 120.40 128.09 1a49 s VAL 2229Ca 0.07 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1a49 s VAL 2229Cb -0.15 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.44 1a49 s VAL 2229CO 0.08 0.44 1.16 -0.76 0.00 0.00 0.00 175.10 176.02 1a49 s LEU 2230N 1.32 3.79 0.01 3.92 1.02 0.39 -2.30 118.68 126.83 1a49 s LEU 2230Ca 0.03 0.85 -0.01 0.00 0.02 0.00 0.00 54.13 55.03 1a49 s LEU 2230Cb -0.14 -3.55 -0.01 0.00 0.02 0.00 0.00 46.19 42.51 1a49 s LEU 2230CO -0.11 -1.09 -0.01 0.28 0.02 0.00 0.00 176.35 175.43 1a49 s THR 2231N 4.19 0.09 -0.13 5.49 -1.32 -0.86 -4.78 115.64 118.32 1a49 s THR 2231Ca 0.49 -0.71 -0.01 0.00 -1.21 0.00 0.00 61.69 60.25 1a49 s THR 2231Cb -0.11 -0.22 -0.07 0.00 -1.51 0.00 0.00 72.50 70.58 1a49 s THR 2231CO 0.24 -0.39 -0.13 -0.62 -2.21 0.00 0.00 174.62 171.51 1a49 n GLU 2232N 1.90 0.30 0.22 7.08 -0.58 -1.26 -3.97 120.64 124.33 1a49 n GLU 2232Ca -0.21 0.09 0.12 0.00 -0.42 0.00 0.00 57.16 56.73 1a49 n GLU 2232Cb 0.56 -1.15 0.22 0.00 -0.57 0.00 0.00 31.44 30.49 1a49 n GLU 2232CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1a49 h SER 2233N -0.15 0.00 0.00 1.62 4.64 -1.98 -3.43 113.55 114.24 1a49 h SER 2233Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1a49 h SER 2233Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1a49 h SER 2233CO -0.09 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.51 1a49 n GLY 2234N 0.99 1.51 0.34 -0.77 0.00 -1.26 -4.93 105.19 101.07 1a49 n GLY 2234Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 1a49 n GLY 2234CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a49 h ARG 2235N 3.03 -0.61 -0.87 1.61 3.08 -1.95 -1.40 114.38 117.28 1a49 h ARG 2235Ca 0.00 0.04 0.16 0.00 0.07 0.00 0.00 59.98 60.25 1a49 h ARG 2235Cb 0.00 0.14 -0.10 0.00 0.08 0.00 0.00 29.97 30.09 1a49 h ARG 2235CO 0.00 -0.41 0.45 0.77 -1.07 0.00 0.00 179.97 179.71 1a49 h SER 2236N -0.63 0.53 -0.22 7.04 0.02 -1.92 -1.24 113.55 117.14 1a49 h SER 2236Ca -0.01 0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 1a49 h SER 2236Cb 0.59 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 1a49 h SER 2236CO -0.08 0.21 -0.16 0.00 -1.14 0.00 0.00 176.83 175.65 1a49 h ALA 2237N 1.58 0.31 -0.86 3.77 0.00 -1.81 -2.42 119.26 119.82 1a49 h ALA 2237Ca 0.48 -0.33 0.15 0.00 0.00 0.00 0.00 54.91 55.20 1a49 h ALA 2237Cb 0.71 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 1a49 h ALA 2237CO -0.38 0.21 0.45 0.45 0.00 0.00 0.00 179.25 179.99 1a49 h HIS 2238N 0.18 0.80 -0.39 0.00 -0.00 -0.27 0.88 115.15 116.35 1a49 h HIS 2238Ca 0.04 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.36 1a49 h HIS 2238Cb 0.69 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.86 1a49 h HIS 2238CO 0.07 0.20 -0.12 0.37 -0.00 0.00 0.00 177.93 178.45 1a49 h GLN 2239N 0.64 0.70 0.47 2.45 5.75 -1.04 -2.38 115.11 121.71 1a49 h GLN 2239Ca 0.47 -0.22 -0.02 0.00 -0.15 0.00 0.00 58.65 58.72 1a49 h GLN 2239Cb 0.66 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.15 1a49 h GLN 2239CO -0.36 0.79 -0.23 0.28 -2.65 0.00 0.00 178.83 176.67 1a49 h VAL 2240N 0.63 0.53 -1.04 2.39 2.07 -0.44 -3.12 116.25 117.27 1a49 h VAL 2240Ca 0.11 -0.16 0.30 0.00 0.82 0.00 0.00 66.70 67.77 1a49 h VAL 2240Cb 0.57 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1a49 h VAL 2240CO 0.04 0.03 0.74 0.00 0.02 0.00 0.00 177.57 178.40 1a49 h ALA 2241N -0.24 2.91 0.00 1.67 0.00 -0.71 0.87 119.26 123.75 1a49 h ALA 2241Ca -0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1a49 h ALA 2241Cb 0.53 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1a49 h ALA 2241CO 0.11 -1.21 -0.36 0.07 0.00 0.00 0.00 179.25 177.85 1a49 h ARG 2242N 0.04 0.00 -0.32 0.00 0.11 -1.36 -2.77 114.38 110.08 1a49 h ARG 2242Ca 0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.58 1a49 h ARG 2242Cb 1.93 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.01 1a49 h ARG 2242CO -0.04 0.36 0.00 0.66 0.10 0.00 0.00 179.97 181.06 1a49 n TYR 2243N -3.55 0.43 -3.50 4.08 4.01 0.30 -4.99 117.16 113.94 1a49 n TYR 2243Ca -0.00 -0.21 -0.27 0.00 -0.16 0.00 0.00 57.90 57.26 1a49 n TYR 2243Cb 0.50 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.54 1a49 n TYR 2243CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a49 n ARG 2244N 0.58 -1.79 -2.06 -0.72 5.12 -1.05 -4.72 116.66 112.02 1a49 n ARG 2244Ca 0.14 1.27 -0.28 0.00 -1.93 0.00 0.00 57.85 57.05 1a49 n ARG 2244Cb 0.34 -2.89 0.06 0.00 -1.16 0.00 0.00 32.46 28.80 1a49 n ARG 2244CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1a49 s PRO 2245N -3.43 2.53 -0.01 5.56 0.04 -1.26 -4.89 135.00 133.54 1a49 s PRO 2245Ca 0.19 0.14 -0.14 0.00 0.04 0.00 0.00 61.00 61.24 1a49 s PRO 2245Cb -0.03 -2.08 -0.34 0.00 0.04 0.00 0.00 34.50 32.09 1a49 s PRO 2245CO 0.86 -1.14 0.85 -0.09 0.04 0.00 0.00 177.00 177.52 1a49 h ARG 2246N -0.64 0.48 -7.30 4.56 2.43 -1.94 -3.47 114.38 108.49 1a49 h ARG 2246Ca -0.45 -0.81 -0.51 0.00 -0.81 0.00 0.00 59.98 57.40 1a49 h ARG 2246Cb 1.28 0.30 0.09 0.00 -0.42 0.00 0.00 29.97 31.23 1a49 h ARG 2246CO 0.63 1.39 0.36 0.00 -1.51 0.00 0.00 179.97 180.84 1a49 s ALA 2247N -2.59 2.62 0.25 2.80 0.00 -1.26 -4.99 121.76 118.60 1a49 s ALA 2247Ca -0.12 0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 1a49 s ALA 2247Cb 0.05 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.86 1a49 s ALA 2247CO 0.90 -1.22 1.23 -2.14 0.00 0.00 0.00 175.76 174.54 1a49 s PRO 2248N -4.78 4.46 -0.36 0.00 0.02 -1.26 -4.72 135.00 128.36 1a49 s PRO 2248Ca 0.60 2.00 -0.16 0.00 0.02 0.00 0.00 61.00 63.46 1a49 s PRO 2248Cb -0.15 -3.17 -0.00 0.00 0.02 0.00 0.00 34.50 31.20 1a49 s PRO 2248CO 0.51 -0.08 0.40 0.42 -0.33 0.00 0.00 177.00 177.92 1a49 s ILE 2249N -0.60 5.13 -0.34 2.83 1.01 0.29 -0.36 121.20 129.17 1a49 s ILE 2249Ca 0.51 -0.02 -0.11 0.00 0.00 0.00 0.00 60.65 61.03 1a49 s ILE 2249Cb -0.36 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 1a49 s ILE 2249CO 0.43 -0.20 0.20 -0.63 0.00 0.00 0.00 174.94 174.74 1a49 s ILE 2250N 2.10 4.90 -0.40 2.92 1.01 0.16 -0.91 121.20 130.98 1a49 s ILE 2250Ca 0.13 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.25 1a49 s ILE 2250Cb -0.17 -3.55 0.04 0.00 0.01 0.00 0.00 42.46 38.80 1a49 s ILE 2250CO 0.12 -0.02 0.25 0.00 0.00 0.00 0.00 174.94 175.29 1a49 s ALA 2251N 1.65 3.34 -0.28 9.38 0.00 -0.90 -0.10 121.76 134.85 1a49 s ALA 2251Ca 0.05 -1.82 -0.19 0.00 0.00 0.00 0.00 51.96 50.00 1a49 s ALA 2251Cb -0.18 -2.70 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 1a49 s ALA 2251CO 0.08 -1.47 0.57 0.08 0.00 0.00 0.00 175.76 175.02 1a49 s VAL 2252N 1.57 5.01 0.04 0.00 1.01 -0.97 0.71 120.40 127.77 1a49 s VAL 2252Ca 0.03 0.88 -0.00 0.00 0.00 0.00 0.00 61.98 62.89 1a49 s VAL 2252Cb -0.20 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1a49 s VAL 2252CO 0.07 -0.02 -0.03 0.28 0.00 0.00 0.00 175.10 175.39 1a49 s THR 2253N 2.45 0.23 -0.69 3.92 -1.32 -0.23 -2.02 115.64 117.98 1a49 s THR 2253Ca 0.23 -1.53 0.22 0.00 -1.21 0.00 0.00 61.69 59.40 1a49 s THR 2253Cb -0.15 -1.13 -0.22 0.00 -1.51 0.00 0.00 72.50 69.49 1a49 s THR 2253CO 0.10 -0.82 0.86 0.54 -2.21 0.00 0.00 174.62 173.08 1a49 n ARG 2254N 0.58 0.21 -3.05 7.08 1.74 -1.26 0.10 116.66 122.06 1a49 n ARG 2254Ca -0.17 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.44 1a49 n ARG 2254Cb 0.59 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 30.45 1a49 n ARG 2254CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a49 s ASN 2255N -3.55 6.46 0.18 0.55 3.84 -1.26 -4.85 114.94 116.32 1a49 s ASN 2255Ca 0.04 0.18 -0.07 0.00 0.21 0.00 0.00 52.86 53.21 1a49 s ASN 2255Cb 0.15 -2.35 0.09 0.00 -0.55 0.00 0.00 41.25 38.59 1a49 s ASN 2255CO 0.86 -0.67 1.58 0.45 -2.79 0.00 0.00 177.10 176.53 1a49 h HIS 2256N 8.52 1.03 -0.66 0.43 3.86 -1.95 -2.54 115.15 123.84 1a49 h HIS 2256Ca -0.26 -0.24 -0.07 0.00 -1.16 0.00 0.00 60.37 58.64 1a49 h HIS 2256Cb 1.10 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 29.30 1a49 h HIS 2256CO 0.77 1.03 0.16 0.37 0.86 0.00 0.00 177.93 181.11 1a49 h GLN 2257N 0.78 1.05 -0.32 2.45 4.15 -1.98 -1.18 115.11 120.06 1a49 h GLN 2257Ca 0.10 -0.26 0.07 0.00 0.77 0.00 0.00 58.65 59.34 1a49 h GLN 2257Cb 0.77 -0.14 -0.08 0.00 0.21 0.00 0.00 27.48 28.25 1a49 h GLN 2257CO 0.06 0.95 -0.19 1.15 -1.93 0.00 0.00 178.83 178.87 1a49 h THR 2258N 0.98 0.46 -0.53 2.39 2.02 -1.83 0.53 112.91 116.93 1a49 h THR 2258Ca 0.21 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 1a49 h THR 2258Cb 0.37 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1a49 h THR 2258CO 0.00 0.00 0.29 0.00 0.37 0.00 0.00 175.52 176.18 1a49 h ALA 2259N 1.06 1.51 -0.21 6.16 0.00 -1.08 0.18 119.26 126.88 1a49 h ALA 2259Ca 0.17 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 1a49 h ALA 2259Cb 0.40 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a49 h ALA 2259CO -0.41 0.41 -0.60 0.00 0.00 0.00 0.00 179.25 178.64 1a49 h ARG 2260N 0.73 0.79 0.00 0.00 3.08 0.03 -3.22 114.38 115.79 1a49 h ARG 2260Ca 0.19 -0.56 -0.05 0.00 0.07 0.00 0.00 59.98 59.63 1a49 h ARG 2260Cb 0.02 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1a49 h ARG 2260CO -0.03 1.18 -0.26 1.96 -1.07 0.00 0.00 179.97 181.75 1a49 h GLN 2261N 0.53 0.00 -0.62 0.04 4.20 0.18 -3.26 115.11 116.17 1a49 h GLN 2261Ca -0.01 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.79 1a49 h GLN 2261Cb 1.22 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.96 1a49 h GLN 2261CO 0.13 0.26 0.42 0.00 -0.67 0.00 0.00 178.83 178.96 1a49 h ALA 2262N 1.74 1.98 0.00 3.87 0.00 -0.74 -2.56 119.26 123.55 1a49 h ALA 2262Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a49 h ALA 2262Cb 0.72 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1a49 h ALA 2262CO 0.03 -0.12 0.10 0.72 0.00 0.00 0.00 179.25 179.99 1a49 n HIS 2263N -4.47 0.64 0.26 0.00 8.25 -1.23 -0.97 115.22 117.69 1a49 n HIS 2263Ca 0.10 0.33 0.15 0.00 -0.26 0.00 0.00 57.72 58.04 1a49 n HIS 2263Cb 0.36 -0.96 0.58 0.00 1.12 0.00 0.00 29.99 31.09 1a49 n HIS 2263CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1a49 h LEU 2264N 0.00 0.00 -9.53 2.41 3.38 -1.74 -3.40 115.31 106.43 1a49 h LEU 2264Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1a49 h LEU 2264Cb 0.21 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 1a49 h LEU 2264CO 0.00 0.07 -0.52 -0.31 0.09 0.00 0.00 178.44 177.77 1a49 s TYR 2265N -3.64 3.47 0.29 1.13 1.51 -0.14 -4.60 117.35 115.38 1a49 s TYR 2265Ca 0.01 0.43 -0.30 0.00 -1.01 0.00 0.00 57.07 56.21 1a49 s TYR 2265Cb 0.09 -1.90 -0.11 0.00 -0.11 0.00 0.00 41.96 39.93 1a49 s TYR 2265CO 0.58 0.65 1.54 0.50 -1.11 0.00 0.00 175.55 177.72 1a49 s ARG 2266N -0.96 4.16 0.00 -0.62 6.06 -1.26 -3.26 118.95 123.07 1a49 s ARG 2266Ca 0.14 2.51 0.00 0.00 -2.50 0.00 0.00 55.73 55.88 1a49 s ARG 2266Cb -0.12 -3.04 0.00 0.00 0.06 0.00 0.00 34.95 31.86 1a49 s ARG 2266CO 0.03 -0.57 0.00 0.41 -2.50 0.00 0.00 175.30 172.68 1a49 n GLY 2267N 1.93 0.34 3.56 8.12 0.00 0.44 -4.61 105.19 114.97 1a49 n GLY 2267Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1a49 n GLY 2267CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a49 s ILE 2268N -1.81 5.21 -0.66 -0.61 1.01 -1.20 0.11 121.20 123.25 1a49 s ILE 2268Ca 0.00 0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.70 1a49 s ILE 2268Cb 0.00 -3.74 0.17 0.00 0.01 0.00 0.00 42.46 38.90 1a49 s ILE 2268CO 0.00 0.02 0.52 -0.36 0.00 0.00 0.00 174.94 175.11 1a49 s PHE 2269N 1.94 3.51 0.33 3.97 0.40 -0.08 -4.56 117.98 123.49 1a49 s PHE 2269Ca 0.11 -2.40 -0.29 0.00 -0.60 0.00 0.00 56.93 53.75 1a49 s PHE 2269Cb -0.16 -3.41 -0.10 0.00 0.51 0.00 0.00 43.02 39.85 1a49 s PHE 2269CO 0.11 -0.91 1.31 -1.25 0.70 0.00 0.00 175.22 175.19 1a49 s PRO 2270N 0.20 4.35 -0.15 0.24 0.04 -1.26 -2.12 135.00 136.31 1a49 s PRO 2270Ca 0.16 2.22 -0.00 0.00 0.04 0.00 0.00 61.00 63.41 1a49 s PRO 2270Cb -0.18 -3.07 0.03 0.00 0.04 0.00 0.00 34.50 31.32 1a49 s PRO 2270CO -0.05 -0.19 -0.09 0.08 0.04 0.00 0.00 177.00 176.79 1a49 s VAL 2271N -1.10 1.25 -0.62 -0.36 1.01 0.22 -4.79 120.40 116.02 1a49 s VAL 2271Ca 0.49 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.64 1a49 s VAL 2271Cb -0.40 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 34.72 1a49 s VAL 2271CO 0.53 0.29 1.22 -0.69 0.00 0.00 0.00 175.10 176.44 1a49 s VAL 2272N 1.60 3.95 -0.08 2.92 1.01 -1.26 -1.07 120.40 127.48 1a49 s VAL 2272Ca 0.03 0.79 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 1a49 s VAL 2272Cb -0.14 -4.77 -0.04 0.00 0.00 0.00 0.00 36.38 31.44 1a49 s VAL 2272CO -0.09 -1.46 1.34 0.00 0.00 0.00 0.00 175.10 174.90 1a49 n LYS 2274N 5.96 0.30 -1.73 0.00 5.02 -1.26 -4.47 118.16 121.98 1a49 n LYS 2274Ca 0.13 -0.08 -0.36 0.00 -2.02 0.00 0.00 58.31 55.98 1a49 n LYS 2274Cb 0.45 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 34.02 1a49 n LYS 2274CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a49 s ASP 2275N -3.62 4.65 0.24 4.39 1.11 -1.26 -4.97 116.67 117.21 1a49 s ASP 2275Ca 0.01 2.49 -0.28 0.00 0.18 0.00 0.00 52.55 54.95 1a49 s ASP 2275Cb 0.15 -2.61 -0.09 0.00 1.07 0.00 0.00 42.92 41.45 1a49 s ASP 2275CO 0.88 -1.96 0.90 -2.16 1.18 0.00 0.00 175.17 174.01 1a49 s PRO 2276N -3.51 4.72 -0.66 8.23 0.04 -1.26 -4.95 135.00 137.60 1a49 s PRO 2276Ca 0.79 1.36 -0.31 0.00 0.04 0.00 0.00 61.00 62.88 1a49 s PRO 2276Cb -0.33 -3.15 -0.15 0.00 0.04 0.00 0.00 34.50 30.91 1a49 s PRO 2276CO 0.39 0.47 2.47 0.28 0.04 0.00 0.00 177.00 180.65 1a49 n VAL 2277N 1.27 0.01 -1.50 -0.36 0.31 -1.26 -4.92 118.33 111.88 1a49 n VAL 2277Ca -0.02 -0.32 -0.44 0.00 -0.01 0.00 0.00 64.34 63.55 1a49 n VAL 2277Cb 0.48 -1.51 -0.01 0.00 -0.91 0.00 0.00 33.84 31.89 1a49 n VAL 2277CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a49 n GLN 2278N 8.55 0.81 0.11 5.55 1.13 -1.26 -4.88 117.38 127.39 1a49 n GLN 2278Ca 0.50 0.29 0.12 0.00 -1.94 0.00 0.00 57.00 55.97 1a49 n GLN 2278Cb 0.24 -1.57 0.45 0.00 0.11 0.00 0.00 30.24 29.48 1a49 n GLN 2278CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1a49 n GLU 2279N 0.70 0.20 -4.13 -1.09 0.28 -1.26 -4.60 120.64 110.75 1a49 n GLU 2279Ca 0.12 0.31 -0.34 0.00 -0.16 0.00 0.00 57.16 57.09 1a49 n GLU 2279Cb 0.34 -1.81 -0.14 0.00 1.43 0.00 0.00 31.44 31.25 1a49 n GLU 2279CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1a49 s ALA 2280N -3.20 2.72 0.20 -1.84 0.00 -1.26 -5.02 121.76 113.36 1a49 s ALA 2280Ca 0.07 -1.11 -0.19 0.00 0.00 0.00 0.00 51.96 50.74 1a49 s ALA 2280Cb 0.11 -1.53 0.17 0.00 0.00 0.00 0.00 23.12 21.86 1a49 s ALA 2280CO 0.47 -0.26 1.58 2.35 0.00 0.00 0.00 175.76 179.91 1a49 h TRP 2281N 7.76 -0.88 -0.13 0.00 -0.00 -2.00 -1.08 115.95 119.62 1a49 h TRP 2281Ca -0.39 0.08 0.02 0.00 -0.00 0.00 0.00 58.89 58.60 1a49 h TRP 2281Cb 1.17 0.49 -0.04 0.00 -0.00 0.00 0.00 29.16 30.78 1a49 h TRP 2281CO 0.55 -0.38 -0.31 0.00 -0.00 0.00 0.00 178.44 178.30 1a49 h ALA 2282N 1.16 -0.65 -0.45 2.65 0.00 -1.95 0.10 119.26 120.11 1a49 h ALA 2282Ca 0.27 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.21 1a49 h ALA 2282Cb 0.56 0.87 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1a49 h ALA 2282CO -0.74 -0.78 0.31 1.05 0.00 0.00 0.00 179.25 179.08 1a49 h GLU 2283N -0.30 0.38 -0.03 0.00 4.11 -1.80 0.79 114.58 117.73 1a49 h GLU 2283Ca 0.03 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1a49 h GLU 2283Cb 0.37 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1a49 h GLU 2283CO -0.28 0.25 0.01 0.22 0.07 0.00 0.00 179.01 179.28 1a49 h ASP 2284N 0.39 0.06 0.02 3.06 3.58 -0.15 0.46 116.42 123.84 1a49 h ASP 2284Ca 0.20 -0.26 0.03 0.00 0.42 0.00 0.00 57.03 57.41 1a49 h ASP 2284Cb 0.28 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 1a49 h ASP 2284CO -0.05 0.31 -0.22 0.58 -2.88 0.00 0.00 179.24 176.97 1a49 h VAL 2285N -0.20 0.48 -0.87 2.25 2.07 -0.14 -1.39 116.25 118.46 1a49 h VAL 2285Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1a49 h VAL 2285Cb 0.27 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1a49 h VAL 2285CO 0.00 0.00 0.57 0.44 0.02 0.00 0.00 177.57 178.60 1a49 h ASP 2286N -0.37 0.87 0.21 0.57 3.32 -0.70 -1.66 116.42 118.66 1a49 h ASP 2286Ca 0.05 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.11 1a49 h ASP 2286Cb 0.43 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1a49 h ASP 2286CO -0.19 0.57 -0.23 0.25 -1.72 0.00 0.00 179.24 177.92 1a49 h LEU 2287N 0.99 -0.63 -0.84 1.55 5.85 0.71 -1.00 115.31 121.95 1a49 h LEU 2287Ca 0.37 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.18 1a49 h LEU 2287Cb 0.18 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1a49 h LEU 2287CO -0.13 -0.34 0.54 0.03 -0.34 0.00 0.00 178.44 178.20 1a49 h ARG 2288N -0.48 1.02 -0.72 1.25 3.08 -0.40 -1.91 114.38 116.22 1a49 h ARG 2288Ca 0.00 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.02 1a49 h ARG 2288Cb 0.46 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1a49 h ARG 2288CO -0.07 0.68 0.45 0.28 -1.07 0.00 0.00 179.97 180.24 1a49 h VAL 2289N 1.05 1.11 -0.68 2.04 2.07 -1.00 0.17 116.25 121.01 1a49 h VAL 2289Ca 0.33 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1a49 h VAL 2289Cb -0.00 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 1a49 h VAL 2289CO -0.11 0.16 0.29 0.78 0.02 0.00 0.00 177.57 178.71 1a49 h ASN 2290N 0.89 0.90 -0.39 0.57 2.35 -0.82 1.28 115.58 120.35 1a49 h ASN 2290Ca 0.28 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1a49 h ASN 2290Cb 0.00 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 1a49 h ASN 2290CO -0.10 0.78 0.21 0.25 -1.65 0.00 0.00 177.43 176.93 1a49 h LEU 2291N 0.97 0.49 -0.10 1.61 5.85 0.01 0.94 115.31 125.09 1a49 h LEU 2291Ca 0.23 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1a49 h LEU 2291Cb 0.15 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 1a49 h LEU 2291CO -0.02 0.44 0.02 0.00 -0.34 0.00 0.00 178.44 178.53 1a49 h ALA 2292N 1.07 0.13 -1.01 1.25 0.00 -0.14 -0.11 119.26 120.45 1a49 h ALA 2292Ca 0.14 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 55.15 1a49 h ALA 2292Cb 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 1a49 h ALA 2292CO -0.02 -0.24 0.64 1.98 0.00 0.00 0.00 179.25 181.61 1a49 h MET 2293N -0.05 0.46 0.01 0.00 1.85 0.20 -1.50 114.93 115.89 1a49 h MET 2293Ca 0.03 -0.03 -0.24 0.00 -0.61 0.00 0.00 59.70 58.85 1a49 h MET 2293Cb 0.25 -0.10 0.01 0.00 0.43 0.00 0.00 31.60 32.19 1a49 h MET 2293CO 0.00 0.30 -0.99 -0.91 -0.40 0.00 0.00 176.91 174.91 1a49 h ASN 2294N 0.47 0.63 0.18 1.39 -0.26 -0.23 -2.41 115.58 115.35 1a49 h ASN 2294Ca 0.58 -0.51 -0.18 0.00 -0.56 0.00 0.00 56.30 55.63 1a49 h ASN 2294Cb 1.33 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 38.40 1a49 h ASN 2294CO -0.31 1.32 -0.67 0.58 -1.06 0.00 0.00 177.43 177.29 1a49 h VAL 2295N 0.26 1.36 0.16 2.81 2.07 -0.30 -1.58 116.25 121.04 1a49 h VAL 2295Ca -0.10 -2.01 -0.01 0.00 0.82 0.00 0.00 66.70 65.40 1a49 h VAL 2295Cb 1.64 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1a49 h VAL 2295CO 0.18 0.61 -0.08 1.23 0.02 0.00 0.00 177.57 179.53 1a49 h GLY 2296N 1.19 -0.23 0.78 2.17 0.00 -1.31 1.09 103.07 106.76 1a49 h GLY 2296Ca -0.02 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1a49 h GLY 2296CO 0.12 -0.08 -0.30 0.50 0.00 0.00 0.00 176.54 176.77 1a49 h LYS 2297N -0.25 -0.67 -0.75 4.80 1.57 -1.48 0.44 116.57 120.23 1a49 h LYS 2297Ca -0.02 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1a49 h LYS 2297Cb 0.20 0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.59 1a49 h LYS 2297CO 0.04 -0.45 0.40 0.00 -0.57 0.00 0.00 179.45 178.87 1a49 h ALA 2298N -0.19 1.04 -0.00 3.86 0.00 -1.07 -0.97 119.26 121.93 1a49 h ALA 2298Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a49 h ALA 2298Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1a49 h ALA 2298CO 0.00 0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.82 1a49 n ARG 2299N -4.80 1.09 -1.02 0.00 1.74 0.37 -4.88 116.66 109.17 1a49 n ARG 2299Ca 0.12 -0.13 -0.01 0.00 -0.77 0.00 0.00 57.85 57.06 1a49 n ARG 2299Cb 0.26 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.20 1a49 n ARG 2299CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a49 n GLY 2300N 1.02 0.48 0.18 -0.13 0.00 -0.37 -4.90 105.19 101.46 1a49 n GLY 2300Ca 0.23 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.87 1a49 n GLY 2300CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1a49 h PHE 2301N 0.00 0.00 -2.66 1.61 -1.00 -0.38 -3.46 116.94 111.05 1a49 h PHE 2301Ca -0.01 0.00 0.12 0.00 2.81 0.00 0.00 57.97 60.89 1a49 h PHE 2301Cb 0.08 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.57 1a49 h PHE 2301CO 0.04 0.41 0.36 -0.59 -1.61 0.00 0.00 178.31 176.92 1a49 s PHE 2302N -3.88 -0.18 0.37 -0.55 -0.12 -1.20 -4.87 117.98 107.55 1a49 s PHE 2302Ca -0.02 -0.18 0.04 0.00 -0.05 0.00 0.00 56.93 56.72 1a49 s PHE 2302Cb 0.13 0.66 -0.06 0.00 -0.63 0.00 0.00 43.02 43.12 1a49 s PHE 2302CO 0.71 -1.00 0.05 0.15 -0.05 0.00 0.00 175.22 175.08 1a49 s LYS 2303N -3.59 1.80 0.28 1.99 1.02 -1.26 -3.89 119.74 116.09 1a49 s LYS 2303Ca 0.11 -2.03 -0.30 0.00 0.02 0.00 0.00 55.97 53.77 1a49 s LYS 2303Cb -0.03 -1.07 -0.12 0.00 -0.52 0.00 0.00 37.83 36.09 1a49 s LYS 2303CO 0.03 -0.20 1.51 1.17 -0.92 0.00 0.00 175.35 176.94 1a49 n LYS 2304N -0.82 2.44 0.00 1.68 4.81 -1.26 -2.08 118.16 122.93 1a49 n LYS 2304Ca -0.05 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1a49 n LYS 2304Cb 0.67 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 33.12 1a49 n LYS 2304CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a49 n GLY 2305N 1.98 3.25 3.69 3.14 0.00 -0.55 -4.93 105.19 111.78 1a49 n GLY 2305Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1a49 n GLY 2305CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a49 s ASP 2306N -0.11 3.22 -0.07 1.61 1.11 -0.88 -4.64 116.67 116.91 1a49 s ASP 2306Ca 0.00 2.15 0.01 0.00 0.18 0.00 0.00 52.55 54.89 1a49 s ASP 2306Cb 0.00 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 1a49 s ASP 2306CO 0.00 -2.90 -0.09 -0.69 1.18 0.00 0.00 175.17 172.67 1a49 s VAL 2307N -2.65 3.53 0.04 -1.27 1.01 -1.26 -0.99 120.40 118.80 1a49 s VAL 2307Ca 0.66 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 62.15 1a49 s VAL 2307Cb -0.22 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1a49 s VAL 2307CO 0.57 0.59 -0.13 0.54 0.00 0.00 0.00 175.10 176.66 1a49 s VAL 2308N -0.64 1.04 -0.16 2.92 0.11 0.63 -0.03 120.40 124.27 1a49 s VAL 2308Ca 0.10 -0.97 -0.17 0.00 -2.93 0.00 0.00 61.98 58.01 1a49 s VAL 2308Cb -0.11 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.75 1a49 s VAL 2308CO 0.02 -0.02 0.44 -0.63 -3.33 0.00 0.00 175.10 171.58 1a49 s ILE 2309N -0.85 5.19 -0.19 7.04 -1.09 -0.57 -0.08 121.20 130.65 1a49 s ILE 2309Ca 0.01 0.83 -0.00 0.00 -2.23 0.00 0.00 60.65 59.25 1a49 s ILE 2309Cb -0.08 -3.77 0.01 0.00 -1.58 0.00 0.00 42.46 37.04 1a49 s ILE 2309CO 0.01 0.28 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.16 1a49 s VAL 2310N 1.01 2.49 -0.26 2.92 1.01 0.19 0.83 120.40 128.59 1a49 s VAL 2310Ca 0.22 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 1a49 s VAL 2310Cb -0.15 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 1a49 s VAL 2310CO 0.09 0.50 0.05 -0.76 0.00 0.00 0.00 175.10 174.98 1a49 s LEU 2311N 1.30 3.50 0.24 3.92 1.43 0.77 -1.41 118.68 128.43 1a49 s LEU 2311Ca 0.04 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1a49 s LEU 2311Cb -0.14 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 1a49 s LEU 2311CO -0.09 -0.10 0.11 0.42 0.23 0.00 0.00 176.35 176.92 1a49 s THR 2312N 1.54 0.35 -0.00 5.49 -4.23 -0.16 -0.46 115.64 118.16 1a49 s THR 2312Ca 0.05 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.40 1a49 s THR 2312Cb -0.16 -2.59 -0.06 0.00 1.34 0.00 0.00 72.50 71.04 1a49 s THR 2312CO 0.02 0.00 0.42 -0.83 -0.54 0.00 0.00 174.62 173.69 1a49 s GLY 2313N -3.26 2.48 0.23 3.99 0.00 -1.26 -1.64 107.32 107.87 1a49 s GLY 2313Ca 0.38 -0.20 -0.06 0.00 0.00 0.00 0.00 44.72 44.84 1a49 s GLY 2313CO 0.13 0.21 1.84 -0.25 0.00 0.00 0.00 173.10 175.03 1a49 h TRP 2314N 4.85 0.91 -4.20 1.90 -0.00 -1.91 -3.44 115.95 114.06 1a49 h TRP 2314Ca -0.51 0.03 -0.12 0.00 -0.00 0.00 0.00 58.89 58.29 1a49 h TRP 2314Cb 1.22 -0.29 -0.15 0.00 -0.00 0.00 0.00 29.16 29.94 1a49 h TRP 2314CO 0.70 0.46 -0.64 1.03 -0.00 0.00 0.00 178.44 179.98 1a49 s ARG 2315N -6.07 0.65 0.31 2.65 0.52 -1.26 -5.01 118.95 110.75 1a49 s ARG 2315Ca -0.13 -1.20 -0.29 0.00 -0.52 0.00 0.00 55.73 53.60 1a49 s ARG 2315Cb 0.18 0.23 -0.13 0.00 0.52 0.00 0.00 34.95 35.75 1a49 s ARG 2315CO 0.78 -0.13 1.26 -2.30 0.02 0.00 0.00 175.30 174.93 1a49 n PRO 2316N 0.08 1.96 -3.73 3.54 -0.02 -1.26 -1.06 135.00 134.51 1a49 n PRO 2316Ca -0.14 0.69 -0.26 0.00 -2.02 0.00 0.00 63.50 61.78 1a49 n PRO 2316Cb 0.61 -2.25 0.05 0.00 -0.02 0.00 0.00 33.50 31.90 1a49 n PRO 2316CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a49 n GLY 2317N 1.10 -0.48 0.18 -1.23 0.00 -1.26 -4.86 105.19 98.65 1a49 n GLY 2317Ca 0.07 0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.35 1a49 n GLY 2317CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a49 h SER 2318N -2.28 0.00 0.00 1.61 0.02 -1.48 -3.48 113.55 107.93 1a49 h SER 2318Ca -0.58 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 1a49 h SER 2318Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1a49 h SER 2318CO 0.60 0.38 0.00 0.61 -1.14 0.00 0.00 176.83 177.28 1a49 n GLY 2319N 0.54 2.69 3.71 -3.77 0.00 -1.26 -4.98 105.19 102.11 1a49 n GLY 2319Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1a49 n GLY 2319CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a49 s PHE 2320N -2.67 -0.08 -0.95 1.61 -0.71 -1.26 -4.99 117.98 108.93 1a49 s PHE 2320Ca 0.00 -0.14 -0.24 0.00 -1.04 0.00 0.00 56.93 55.51 1a49 s PHE 2320Cb 0.00 0.60 0.04 0.00 -1.21 0.00 0.00 43.02 42.45 1a49 s PHE 2320CO 0.00 -0.57 1.45 0.95 -1.34 0.00 0.00 175.22 175.71 1a49 s THR 2321N -2.82 3.84 -2.57 -4.49 -4.23 -1.26 -4.51 115.64 99.59 1a49 s THR 2321Ca 0.14 -0.48 0.24 0.00 -1.18 0.00 0.00 61.69 60.42 1a49 s THR 2321Cb 0.01 -4.95 0.41 0.00 1.34 0.00 0.00 72.50 69.32 1a49 s THR 2321CO -0.00 -1.84 1.51 -0.46 -0.54 0.00 0.00 174.62 173.28 1a49 n ASN 2322N 9.37 2.29 -4.27 3.99 6.94 -1.14 -4.80 115.26 127.64 1a49 n ASN 2322Ca 0.27 -1.77 -0.34 0.00 -0.02 0.00 0.00 54.58 52.71 1a49 n ASN 2322Cb 0.50 -0.07 -0.14 0.00 -2.36 0.00 0.00 39.78 37.71 1a49 n ASN 2322CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1a49 s THR 2323N -1.86 3.04 -0.08 5.53 2.01 -0.65 -4.91 115.64 118.73 1a49 s THR 2323Ca 0.34 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.75 1a49 s THR 2323Cb 0.20 -2.35 0.01 0.00 0.01 0.00 0.00 72.50 70.37 1a49 s THR 2323CO 0.30 0.46 -0.14 -0.32 -0.69 0.00 0.00 174.62 174.23 1a49 s MET 2324N 1.32 1.95 0.03 4.92 1.75 -1.26 -0.98 119.30 127.03 1a49 s MET 2324Ca 0.04 -0.49 0.02 0.00 -1.25 0.00 0.00 55.69 54.00 1a49 s MET 2324Cb -0.14 -1.59 -0.02 0.00 2.84 0.00 0.00 34.83 35.92 1a49 s MET 2324CO -0.05 0.03 -0.07 1.03 -0.65 0.00 0.00 175.02 175.32 1a49 s ARG 2325N 0.67 0.47 -0.30 4.11 0.52 -0.50 -4.97 118.95 118.96 1a49 s ARG 2325Ca -0.14 -0.64 -0.14 0.00 -0.52 0.00 0.00 55.73 54.30 1a49 s ARG 2325Cb -0.16 -0.25 -0.03 0.00 0.52 0.00 0.00 34.95 35.03 1a49 s ARG 2325CO 0.04 0.04 0.30 0.08 0.02 0.00 0.00 175.30 175.78 1a49 s VAL 2326N -1.18 5.22 0.01 3.52 1.01 -1.26 0.53 120.40 128.26 1a49 s VAL 2326Ca -0.09 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.21 1a49 s VAL 2326Cb -0.09 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1a49 s VAL 2326CO 0.00 0.11 -0.20 -0.69 0.00 0.00 0.00 175.10 174.33 1a49 s VAL 2327N 1.93 1.55 0.37 2.92 1.01 0.88 -4.95 120.40 124.13 1a49 s VAL 2327Ca 0.11 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.97 1a49 s VAL 2327Cb -0.16 -1.32 -0.09 0.00 0.00 0.00 0.00 36.38 34.81 1a49 s VAL 2327CO 0.11 0.34 0.80 -2.16 0.00 0.00 0.00 175.10 174.19 1a49 s PRO 2328N -0.73 4.02 0.30 2.72 0.04 -1.26 0.23 135.00 140.32 1a49 s PRO 2328Ca 0.07 0.76 -0.27 0.00 0.04 0.00 0.00 61.00 61.60 1a49 s PRO 2328Cb -0.08 -2.35 -0.09 0.00 0.04 0.00 0.00 34.50 32.02 1a49 s PRO 2328CO 0.00 0.06 0.97 0.08 0.04 0.00 0.00 177.00 178.15 1a49 s VAL 2329N -2.13 4.03 -2.52 -0.36 1.01 -0.16 -4.87 120.40 115.40 1a49 s VAL 2329Ca 0.56 1.82 0.28 0.00 0.00 0.00 0.00 61.98 64.63 1a49 s VAL 2329Cb -0.10 -4.07 0.53 0.00 0.00 0.00 0.00 36.38 32.75 1a49 s VAL 2329CO 0.19 0.26 1.72 -0.81 0.00 0.00 0.00 175.10 176.47