#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bt4 s SER 1803N 0.00 5.83 0.49 0.55 1.04 -1.26 -4.75 113.70 115.59 2bt4 s SER 1803Ca 0.00 -0.19 0.15 0.00 0.48 0.00 0.00 55.95 56.40 2bt4 s SER 1803Cb 0.00 -1.09 1.17 0.00 0.10 0.00 0.00 66.02 66.21 2bt4 s SER 1803CO 0.00 -0.60 2.08 -0.07 0.98 0.00 0.00 173.24 175.63 2bt4 h LEU 1804N 0.71 0.15 -0.89 2.42 4.07 -1.78 -2.01 115.31 117.98 2bt4 h LEU 1804Ca -0.44 -0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.41 2bt4 h LEU 1804Cb 1.27 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.96 2bt4 h LEU 1804CO 0.51 0.10 -0.42 0.00 -1.08 0.00 0.00 178.44 177.55 2bt4 h ALA 1805N 1.86 1.06 0.00 1.53 0.00 -1.92 -3.30 119.26 118.49 2bt4 h ALA 1805Ca 0.11 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2bt4 h ALA 1805Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2bt4 h ALA 1805CO -0.02 0.60 -1.71 0.09 0.00 0.00 0.00 179.25 178.22 2bt4 n ASN 1806N -4.02 0.27 -3.64 0.00 3.02 -0.81 -5.01 115.26 105.07 2bt4 n ASN 1806Ca -0.02 -0.23 -0.15 0.00 -0.03 0.00 0.00 54.58 54.16 2bt4 n ASN 1806Cb 0.49 1.68 -0.07 0.00 -0.61 0.00 0.00 39.78 41.27 2bt4 n ASN 1806CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bt4 s ALA 1807N -3.38 -1.22 0.75 5.41 0.00 -0.88 -4.95 121.76 117.49 2bt4 s ALA 1807Ca -0.04 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.52 2bt4 s ALA 1807Cb 0.14 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.42 2bt4 s ALA 1807CO 0.89 -0.35 1.09 -1.25 0.00 0.00 0.00 175.76 176.14 2bt4 s PRO 1808N -1.54 2.41 -0.03 0.00 0.04 -1.26 -4.37 135.00 130.25 2bt4 s PRO 1808Ca -0.11 1.13 -0.24 0.00 0.04 0.00 0.00 61.00 61.82 2bt4 s PRO 1808Cb -0.02 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2bt4 s PRO 1808CO 0.05 -1.52 0.74 0.42 0.04 0.00 0.00 177.00 176.72 2bt4 s ILE 1809N -2.91 4.96 -0.12 0.56 1.01 -0.13 -1.37 121.20 123.20 2bt4 s ILE 1809Ca 0.61 1.53 -0.25 0.00 0.00 0.00 0.00 60.65 62.54 2bt4 s ILE 1809Cb -0.17 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 2bt4 s ILE 1809CO 0.55 0.27 0.79 -0.32 0.00 0.00 0.00 174.94 176.24 2bt4 s MET 1810N 0.60 4.36 -0.28 2.79 -2.45 -0.47 -0.58 119.30 123.27 2bt4 s MET 1810Ca 0.39 0.99 -0.02 0.00 -1.25 0.00 0.00 55.69 55.80 2bt4 s MET 1810Cb -0.19 -3.52 0.04 0.00 1.25 0.00 0.00 34.83 32.41 2bt4 s MET 1810CO 0.20 -0.17 -0.01 0.42 1.05 0.00 0.00 175.02 176.50 2bt4 s ILE 1811N 1.61 3.02 -0.06 10.11 1.01 0.19 -0.56 121.20 136.52 2bt4 s ILE 1811Ca 0.39 -1.23 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 2bt4 s ILE 1811Cb -0.17 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 2bt4 s ILE 1811CO 0.16 -0.00 -0.02 -0.76 0.00 0.00 0.00 174.94 174.31 2bt4 s LEU 1812N 1.29 3.45 -0.05 2.97 1.43 0.31 -1.30 118.68 126.78 2bt4 s LEU 1812Ca -0.03 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 2bt4 s LEU 1812Cb -0.19 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.21 2bt4 s LEU 1812CO -0.02 0.35 -0.11 0.20 0.23 0.00 0.00 176.35 177.00 2bt4 s ASN 1813N -1.03 1.62 0.00 2.29 0.01 -0.34 -1.17 114.94 116.32 2bt4 s ASN 1813Ca 0.15 -0.26 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 2bt4 s ASN 1813Cb -0.11 -0.64 0.00 0.00 0.41 0.00 0.00 41.25 40.91 2bt4 s ASN 1813CO 0.04 0.05 0.00 0.61 -1.51 0.00 0.00 177.10 176.29 2bt4 n GLY 1814N 3.61 0.34 3.77 0.66 0.00 0.44 -1.51 105.19 112.51 2bt4 n GLY 1814Ca -0.21 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.71 2bt4 n GLY 1814CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bt4 s PRO 1815N 1.00 3.91 0.00 1.61 0.04 -1.18 -3.13 135.00 137.25 2bt4 s PRO 1815Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2bt4 s PRO 1815Cb 0.00 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 32.02 2bt4 s PRO 1815CO 0.00 -0.42 0.00 0.09 0.04 0.00 0.00 177.00 176.71 2bt4 n ASN 1816N -0.24 0.00 0.06 6.66 3.02 -1.26 -4.56 115.26 118.93 2bt4 n ASN 1816Ca 0.06 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.72 2bt4 n ASN 1816Cb 0.48 -0.15 0.44 0.00 -0.61 0.00 0.00 39.78 39.94 2bt4 n ASN 1816CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2bt4 n LEU 1817N 0.00 0.36 0.31 3.41 4.77 -1.18 -1.50 117.00 123.17 2bt4 n LEU 1817Ca 0.00 0.57 0.19 0.00 -0.03 0.00 0.00 56.01 56.74 2bt4 n LEU 1817Cb 0.00 -0.49 1.05 0.00 -2.33 0.00 0.00 43.42 41.65 2bt4 n LEU 1817CO 0.00 -0.29 1.16 -0.55 -1.33 0.00 0.00 177.39 176.39 2bt4 h ASN 1818N 0.00 0.00 -0.57 -1.43 -1.07 -1.88 -1.90 115.58 108.73 2bt4 h ASN 1818Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2bt4 h ASN 1818Cb 0.42 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.67 2bt4 h ASN 1818CO 0.00 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.68 2bt4 n LEU 1819N -3.34 3.36 -4.64 6.14 4.77 -0.56 -4.70 117.00 118.03 2bt4 n LEU 1819Ca -0.02 -1.63 -0.44 0.00 -0.03 0.00 0.00 56.01 53.88 2bt4 n LEU 1819Cb 0.15 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 40.84 2bt4 n LEU 1819CO 0.22 0.81 0.82 -0.11 -1.33 0.00 0.00 177.39 177.80 2bt4 n LEU 1820N 1.36 2.68 0.00 2.23 7.94 -0.72 -1.75 117.00 128.74 2bt4 n LEU 1820Ca 0.21 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.28 2bt4 n LEU 1820Cb 0.55 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 43.12 2bt4 n LEU 1820CO 0.15 -0.84 0.00 0.61 -1.11 0.00 0.00 177.39 176.19 2bt4 n GLY 1821N 1.45 2.81 0.06 -3.96 0.00 -1.14 -3.92 105.19 100.50 2bt4 n GLY 1821Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 2bt4 n GLY 1821CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bt4 n GLN 1822N -0.24 0.16 -3.78 1.61 6.02 -0.72 -4.77 117.38 115.68 2bt4 n GLN 1822Ca 0.00 0.11 -0.08 0.00 -0.01 0.00 0.00 57.00 57.02 2bt4 n GLN 1822Cb 0.00 -1.66 -0.02 0.00 1.02 0.00 0.00 30.24 29.58 2bt4 n GLN 1822CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2bt4 s ARG 1823N -3.07 1.65 -1.50 -1.09 1.70 -1.26 -4.99 118.95 110.38 2bt4 s ARG 1823Ca 0.11 -0.87 -0.06 0.00 -0.47 0.00 0.00 55.73 54.44 2bt4 s ARG 1823Cb 0.15 0.59 0.05 0.00 -0.57 0.00 0.00 34.95 35.17 2bt4 s ARG 1823CO 0.61 -0.75 0.53 1.04 -1.08 0.00 0.00 175.30 175.65 2bt4 n GLN 1824N -0.45 -3.24 0.30 3.89 6.02 -1.26 -4.77 117.38 117.88 2bt4 n GLN 1824Ca -0.06 0.39 0.17 0.00 -0.01 0.00 0.00 57.00 57.48 2bt4 n GLN 1824Cb 0.60 -4.68 0.96 0.00 1.02 0.00 0.00 30.24 28.14 2bt4 n GLN 1824CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2bt4 h PRO 1825N -1.75 0.00 0.00 -1.09 0.13 -1.89 -0.28 132.00 127.12 2bt4 h PRO 1825Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2bt4 h PRO 1825Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2bt4 h PRO 1825CO 0.68 0.02 0.00 0.93 -0.23 0.00 0.00 178.00 179.40 2bt4 h GLU 1826N 0.00 0.00 0.00 0.86 3.07 -1.89 0.91 114.58 117.53 2bt4 h GLU 1826Ca -0.00 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.59 2bt4 h GLU 1826Cb 0.07 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.94 2bt4 h GLU 1826CO 0.00 0.00 -1.97 -0.89 -1.40 0.00 0.00 179.01 174.75 2bt4 n ILE 1827N -2.86 0.97 0.50 3.13 5.41 -0.46 -4.80 119.36 121.24 2bt4 n ILE 1827Ca -0.00 -0.32 0.05 0.00 1.00 0.00 0.00 62.75 63.48 2bt4 n ILE 1827Cb 0.22 -1.33 -0.02 0.00 -0.71 0.00 0.00 39.64 37.80 2bt4 n ILE 1827CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2bt4 n TYR 1828N -3.28 0.00 0.00 1.39 4.02 -0.24 -4.55 117.16 114.49 2bt4 n TYR 1828Ca -0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.57 2bt4 n TYR 1828Cb 0.79 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.11 2bt4 n TYR 1828CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bt4 n GLY 1829N 1.05 -0.80 0.95 2.72 0.00 0.31 -4.70 105.19 104.72 2bt4 n GLY 1829Ca 0.04 -1.67 0.09 0.00 0.00 0.00 0.00 46.02 44.48 2bt4 n GLY 1829CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bt4 n SER 1830N -1.58 3.19 -4.77 1.61 3.41 -1.26 -4.23 113.62 109.97 2bt4 n SER 1830Ca 0.00 -1.92 -0.37 0.00 -0.26 0.00 0.00 58.87 56.32 2bt4 n SER 1830Cb 0.00 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 63.67 2bt4 n SER 1830CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2bt4 s ASP 1831N -1.19 6.62 0.73 4.04 1.01 -1.26 -4.69 116.67 121.92 2bt4 s ASP 1831Ca 0.32 2.19 -0.07 0.00 0.71 0.00 0.00 52.55 55.71 2bt4 s ASP 1831Cb 0.18 -2.60 0.08 0.00 1.01 0.00 0.00 42.92 41.59 2bt4 s ASP 1831CO 0.25 -0.60 1.04 0.42 0.21 0.00 0.00 175.17 176.49 2bt4 s THR 1832N -1.53 2.24 0.40 -1.27 -4.23 -1.26 -2.87 115.64 107.12 2bt4 s THR 1832Ca 0.58 -0.29 0.13 0.00 -1.18 0.00 0.00 61.69 60.92 2bt4 s THR 1832Cb -0.26 -2.95 0.13 0.00 1.34 0.00 0.00 72.50 70.75 2bt4 s THR 1832CO 0.33 0.00 1.89 0.25 -0.54 0.00 0.00 174.62 176.55 2bt4 h LEU 1833N -0.67 0.03 -0.75 4.79 5.85 -1.81 -1.96 115.31 120.79 2bt4 h LEU 1833Ca -0.43 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 2bt4 h LEU 1833Cb 1.30 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 2bt4 h LEU 1833CO 0.56 0.32 0.19 0.00 -0.34 0.00 0.00 178.44 179.17 2bt4 h ALA 1834N 1.68 0.98 -0.83 1.25 0.00 -1.93 -0.60 119.26 119.82 2bt4 h ALA 1834Ca 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.70 2bt4 h ALA 1834Cb 0.52 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2bt4 h ALA 1834CO 0.04 0.67 0.53 -0.44 0.00 0.00 0.00 179.25 180.05 2bt4 h ASP 1835N 1.08 0.89 -0.63 0.00 3.32 -1.76 -1.64 116.42 117.68 2bt4 h ASP 1835Ca 0.23 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 2bt4 h ASP 1835Cb 0.35 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 2bt4 h ASP 1835CO -0.00 0.62 0.29 0.58 -1.72 0.00 0.00 179.24 179.01 2bt4 h VAL 1836N 1.05 1.22 -0.81 -1.35 2.07 -0.84 -0.50 116.25 117.09 2bt4 h VAL 1836Ca 0.32 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2bt4 h VAL 1836Cb -0.02 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 2bt4 h VAL 1836CO -0.10 0.26 0.52 -0.08 0.02 0.00 0.00 177.57 178.19 2bt4 h GLU 1837N 0.87 1.08 -0.71 1.57 4.81 -0.71 -0.13 114.58 121.37 2bt4 h GLU 1837Ca 0.21 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 2bt4 h GLU 1837Cb 0.15 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2bt4 h GLU 1837CO -0.02 0.74 0.24 0.00 -0.73 0.00 0.00 179.01 179.23 2bt4 h ALA 1838N 1.28 1.08 -0.81 2.92 0.00 -0.68 -0.52 119.26 122.53 2bt4 h ALA 1838Ca 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2bt4 h ALA 1838Cb -0.09 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 2bt4 h ALA 1838CO -0.06 0.63 0.44 -0.07 0.00 0.00 0.00 179.25 180.19 2bt4 h LEU 1839N 1.04 1.02 -0.34 0.00 3.38 -0.19 -2.33 115.31 117.89 2bt4 h LEU 1839Ca 0.23 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 2bt4 h LEU 1839Cb 0.27 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2bt4 h LEU 1839CO -0.01 0.83 -0.43 0.00 0.09 0.00 0.00 178.44 178.92 2bt4 h VAL 1841N 0.70 0.95 -0.32 0.00 2.07 -0.91 0.32 116.25 119.05 2bt4 h VAL 1841Ca 0.04 -0.19 -0.16 0.00 0.82 0.00 0.00 66.70 67.21 2bt4 h VAL 1841Cb 1.03 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2bt4 h VAL 1841CO 0.10 0.10 -0.42 0.07 0.02 0.00 0.00 177.57 177.45 2bt4 h LYS 1842N 0.57 0.85 -0.46 1.57 2.10 -1.18 -1.57 116.57 118.44 2bt4 h LYS 1842Ca 0.26 -0.49 -0.02 0.00 -2.00 0.00 0.00 60.65 58.40 2bt4 h LYS 1842Cb 0.17 0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.52 2bt4 h LYS 1842CO -0.18 1.12 0.21 0.00 -2.00 0.00 0.00 179.45 178.61 2bt4 h ALA 1843N 0.72 0.60 -0.61 0.07 0.00 -0.84 -0.22 119.26 118.97 2bt4 h ALA 1843Ca 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2bt4 h ALA 1843Cb 1.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2bt4 h ALA 1843CO 0.10 0.18 0.27 0.00 0.00 0.00 0.00 179.25 179.80 2bt4 h ALA 1844N 1.05 0.79 -0.87 0.00 0.00 -0.85 -2.65 119.26 116.73 2bt4 h ALA 1844Ca 0.16 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2bt4 h ALA 1844Cb 0.15 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2bt4 h ALA 1844CO -0.02 0.37 0.58 0.00 0.00 0.00 0.00 179.25 180.18 2bt4 h ALA 1845N 1.11 1.41 0.00 0.00 0.00 -0.89 0.30 119.26 121.19 2bt4 h ALA 1845Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2bt4 h ALA 1845Cb 0.16 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2bt4 h ALA 1845CO -0.02 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.76 2bt4 n ALA 1846N -2.40 1.21 -0.94 0.00 0.00 -0.13 -1.35 120.51 116.89 2bt4 n ALA 1846Ca 0.11 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.72 2bt4 n ALA 1846Cb 0.05 -1.25 0.09 0.00 0.00 0.00 0.00 19.45 18.35 2bt4 n ALA 1846CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2bt4 n HIS 1847N -2.01 0.00 -0.85 0.00 8.25 -0.28 -4.98 115.22 115.36 2bt4 n HIS 1847Ca 0.00 -0.78 0.00 0.00 -0.26 0.00 0.00 57.72 56.68 2bt4 n HIS 1847Cb 0.08 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.07 2bt4 n HIS 1847CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bt4 n GLY 1848N -1.08 0.49 3.35 -1.41 0.00 -0.46 -4.97 105.19 101.11 2bt4 n GLY 1848Ca 0.11 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 2bt4 n GLY 1848CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bt4 n GLY 1849N -2.85 3.58 3.17 -0.02 0.00 0.91 -4.25 105.19 105.72 2bt4 n GLY 1849Ca 0.00 -2.33 -0.10 0.00 0.00 0.00 0.00 46.02 43.58 2bt4 n GLY 1849CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bt4 s THR 1850N -2.73 0.23 0.22 2.61 -4.23 -1.26 -2.92 115.64 107.56 2bt4 s THR 1850Ca 0.02 -1.92 0.09 0.00 -1.18 0.00 0.00 61.69 58.70 2bt4 s THR 1850Cb 0.00 -2.05 -0.05 0.00 1.34 0.00 0.00 72.50 71.74 2bt4 s THR 1850CO 0.02 -0.48 -0.16 0.68 -0.54 0.00 0.00 174.62 174.14 2bt4 s VAL 1851N -3.96 1.91 -0.35 2.29 -7.23 -1.26 -0.96 120.40 110.85 2bt4 s VAL 1851Ca 0.24 -2.26 0.01 0.00 -1.81 0.00 0.00 61.98 58.15 2bt4 s VAL 1851Cb 0.07 -2.12 0.11 0.00 0.56 0.00 0.00 36.38 35.01 2bt4 s VAL 1851CO 0.02 -0.54 0.13 -0.62 -0.31 0.00 0.00 175.10 173.78 2bt4 s ASP 1852N -3.37 4.01 -0.22 4.85 -1.08 0.26 -4.82 116.67 116.29 2bt4 s ASP 1852Ca 0.24 -1.96 -0.08 0.00 -0.52 0.00 0.00 52.55 50.23 2bt4 s ASP 1852Cb -0.02 -0.99 -0.04 0.00 -1.46 0.00 0.00 42.92 40.42 2bt4 s ASP 1852CO 0.09 -0.37 0.08 0.12 0.52 0.00 0.00 175.17 175.61 2bt4 s PHE 1853N 1.20 3.18 0.04 -5.34 5.36 -1.26 -0.63 117.98 120.52 2bt4 s PHE 1853Ca 0.12 -0.11 -0.01 0.00 -0.96 0.00 0.00 56.93 55.97 2bt4 s PHE 1853Cb -0.19 -2.19 -0.03 0.00 -0.34 0.00 0.00 43.02 40.27 2bt4 s PHE 1853CO -0.16 -0.09 -0.02 1.03 -1.46 0.00 0.00 175.22 174.51 2bt4 s ARG 1854N 1.07 0.48 -0.02 10.12 0.52 -0.42 -4.99 118.95 125.72 2bt4 s ARG 1854Ca 0.05 -0.94 -0.02 0.00 -0.52 0.00 0.00 55.73 54.31 2bt4 s ARG 1854Cb -0.14 0.17 0.01 0.00 0.52 0.00 0.00 34.95 35.50 2bt4 s ARG 1854CO 0.03 -0.09 0.05 -1.14 0.02 0.00 0.00 175.30 174.18 2bt4 s GLN 1855N -2.80 0.05 -0.05 3.54 -0.44 -1.26 -1.20 119.66 117.50 2bt4 s GLN 1855Ca -0.03 0.07 -0.16 0.00 -2.50 0.00 0.00 55.36 52.74 2bt4 s GLN 1855Cb -0.00 0.01 0.03 0.00 -1.64 0.00 0.00 33.01 31.41 2bt4 s GLN 1855CO -0.06 -0.01 0.36 0.45 0.50 0.00 0.00 175.29 176.53 2bt4 s SER 1856N 0.08 -0.28 0.00 6.67 0.15 -0.57 -4.97 113.70 114.78 2bt4 s SER 1856Ca -0.00 0.31 0.28 0.00 0.70 0.00 0.00 55.95 57.24 2bt4 s SER 1856Cb -0.01 0.45 1.08 0.00 -1.71 0.00 0.00 66.02 65.83 2bt4 s SER 1856CO -0.00 -0.39 1.76 0.59 1.20 0.00 0.00 173.24 176.40 2bt4 n ASN 1857N 1.62 1.31 -4.52 5.45 3.02 -1.26 -3.11 115.26 117.78 2bt4 n ASN 1857Ca -0.19 -1.37 -0.36 0.00 -0.03 0.00 0.00 54.58 52.62 2bt4 n ASN 1857Cb 0.56 0.01 -0.12 0.00 -0.61 0.00 0.00 39.78 39.63 2bt4 n ASN 1857CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2bt4 s HIS 1858N -2.07 3.15 0.20 3.10 3.76 -1.26 -4.75 115.29 117.42 2bt4 s HIS 1858Ca 0.37 -0.20 -0.11 0.00 -0.15 0.00 0.00 55.06 54.97 2bt4 s HIS 1858Cb 0.21 -2.22 0.15 0.00 1.11 0.00 0.00 32.58 31.83 2bt4 s HIS 1858CO 0.36 -0.19 1.86 1.49 -0.85 0.00 0.00 174.74 177.42 2bt4 h GLU 1859N 7.84 0.90 -0.16 1.40 4.81 -2.00 -2.51 114.58 124.86 2bt4 h GLU 1859Ca -0.37 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.75 2bt4 h GLU 1859Cb 1.18 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2bt4 h GLU 1859CO 0.60 0.59 -0.16 0.78 -0.73 0.00 0.00 179.01 180.10 2bt4 h GLY 1860N 0.92 0.28 1.01 1.92 0.00 -1.99 -1.78 103.07 103.43 2bt4 h GLY 1860Ca 0.26 -0.18 -0.14 0.00 0.00 0.00 0.00 47.33 47.28 2bt4 h GLY 1860CO -0.07 0.17 -0.35 -2.09 0.00 0.00 0.00 176.54 174.20 2bt4 h GLU 1861N 0.24 0.75 -0.67 4.80 4.81 -1.91 -0.87 114.58 121.74 2bt4 h GLU 1861Ca 0.05 -0.42 0.05 0.00 -0.13 0.00 0.00 59.36 58.91 2bt4 h GLU 1861Cb 0.43 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 2bt4 h GLU 1861CO 0.03 1.04 0.39 -0.07 -0.73 0.00 0.00 179.01 179.67 2bt4 h LEU 1862N 0.50 0.61 -0.27 1.64 3.38 -1.17 0.17 115.31 120.17 2bt4 h LEU 1862Ca 0.04 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2bt4 h LEU 1862Cb 0.93 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2bt4 h LEU 1862CO 0.08 0.40 0.11 0.58 0.09 0.00 0.00 178.44 179.71 2bt4 h VAL 1863N 0.74 0.96 -0.53 1.22 2.07 -1.24 -0.44 116.25 119.03 2bt4 h VAL 1863Ca 0.29 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.79 2bt4 h VAL 1863Cb 0.12 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 2bt4 h VAL 1863CO -0.15 0.05 0.21 0.44 0.02 0.00 0.00 177.57 178.14 2bt4 h ASP 1864N 0.25 0.24 -0.14 0.57 3.32 -0.54 -1.95 116.42 118.17 2bt4 h ASP 1864Ca 0.11 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 2bt4 h ASP 1864Cb 0.06 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2bt4 h ASP 1864CO -0.10 0.16 -0.08 -0.50 -1.72 0.00 0.00 179.24 177.01 2bt4 h TRP 1865N 0.41 0.48 -0.68 4.55 6.55 -0.35 -2.23 115.95 124.68 2bt4 h TRP 1865Ca 0.26 -0.06 -0.07 0.00 0.95 0.00 0.00 58.89 59.97 2bt4 h TRP 1865Cb 0.26 -0.13 -0.03 0.00 -0.86 0.00 0.00 29.16 28.40 2bt4 h TRP 1865CO -0.15 0.53 0.17 0.82 -1.05 0.00 0.00 178.44 178.76 2bt4 h ILE 1866N 0.43 1.26 -0.19 1.49 2.04 -0.61 -0.39 117.51 121.53 2bt4 h ILE 1866Ca 0.09 -0.95 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 2bt4 h ILE 1866Cb 0.41 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2bt4 h ILE 1866CO 0.02 0.36 -0.17 0.45 0.00 0.00 0.00 178.15 178.81 2bt4 h HIS 1867N 1.01 0.34 0.13 1.37 3.86 -0.95 0.28 115.15 121.20 2bt4 h HIS 1867Ca 0.21 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 2bt4 h HIS 1867Cb 0.37 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.74 2bt4 h HIS 1867CO 0.03 0.48 -0.06 1.49 0.86 0.00 0.00 177.93 180.72 2bt4 h GLU 1868N 0.30 -0.17 -0.99 2.45 4.81 -0.90 -3.12 114.58 116.95 2bt4 h GLU 1868Ca 0.05 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.37 2bt4 h GLU 1868Cb 0.48 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.83 2bt4 h GLU 1868CO 0.03 0.09 0.64 0.00 -0.73 0.00 0.00 179.01 179.04 2bt4 h ALA 1869N 0.39 1.44 -0.95 2.92 0.00 -0.84 -0.97 119.26 121.25 2bt4 h ALA 1869Ca -0.02 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.07 2bt4 h ALA 1869Cb 0.35 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 2bt4 h ALA 1869CO 0.03 0.41 0.61 -0.09 0.00 0.00 0.00 179.25 180.20 2bt4 h ARG 1870N 1.13 0.53 0.00 0.00 2.43 -0.88 -1.76 114.38 115.83 2bt4 h ARG 1870Ca 0.43 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 2bt4 h ARG 1870Cb 0.21 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2bt4 h ARG 1870CO -0.18 0.35 -1.51 1.28 -1.51 0.00 0.00 179.97 178.40 2bt4 n LEU 1871N -4.59 0.39 0.00 3.80 4.77 -0.51 -4.73 117.00 116.12 2bt4 n LEU 1871Ca 0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2bt4 n LEU 1871Cb 0.65 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2bt4 n LEU 1871CO 0.28 0.00 0.05 0.59 -1.33 0.00 0.00 177.39 176.97 2bt4 n ASN 1872N -2.19 0.18 -4.46 -1.43 3.02 -0.48 -5.09 115.26 104.81 2bt4 n ASN 1872Ca -0.01 -0.54 -0.22 0.00 -0.03 0.00 0.00 54.58 53.77 2bt4 n ASN 1872Cb 0.51 0.25 -0.10 0.00 -0.61 0.00 0.00 39.78 39.83 2bt4 n ASN 1872CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2bt4 s HIS 1873N -0.25 2.06 -2.70 3.10 3.76 -0.72 -4.49 115.29 116.05 2bt4 s HIS 1873Ca 0.00 -0.67 0.24 0.00 -0.15 0.00 0.00 55.06 54.49 2bt4 s HIS 1873Cb 0.00 -1.19 0.29 0.00 1.11 0.00 0.00 32.58 32.79 2bt4 s HIS 1873CO 0.00 0.34 1.31 0.00 -0.85 0.00 0.00 174.74 175.53 2bt4 n GLY 1875N 1.34 0.77 3.03 0.00 0.00 -1.26 -4.43 105.19 104.64 2bt4 n GLY 1875Ca 0.14 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 2bt4 n GLY 1875CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bt4 s ILE 1876N -2.00 1.09 -0.25 -0.61 1.01 -0.26 -1.37 121.20 118.82 2bt4 s ILE 1876Ca 0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 2bt4 s ILE 1876Cb 0.00 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.48 2bt4 s ILE 1876CO 0.00 0.34 0.01 -0.69 0.00 0.00 0.00 174.94 174.60 2bt4 s VAL 1877N 0.52 3.61 -0.11 2.92 1.01 0.28 -1.14 120.40 127.49 2bt4 s VAL 1877Ca -0.11 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.29 2bt4 s VAL 1877Cb -0.14 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.50 2bt4 s VAL 1877CO 0.03 0.26 -0.18 -0.51 0.00 0.00 0.00 175.10 174.70 2bt4 s ILE 1878N 1.48 1.69 -0.65 2.22 2.07 -0.38 -0.53 121.20 127.11 2bt4 s ILE 1878Ca 0.04 -0.77 -0.11 0.00 -1.41 0.00 0.00 60.65 58.40 2bt4 s ILE 1878Cb -0.16 -1.52 0.17 0.00 0.13 0.00 0.00 42.46 41.08 2bt4 s ILE 1878CO -0.01 0.48 0.55 0.21 -1.91 0.00 0.00 174.94 174.27 2bt4 s ASN 1879N 0.86 6.11 0.00 4.50 3.84 -0.31 -1.01 114.94 128.93 2bt4 s ASN 1879Ca -0.08 -2.37 0.25 0.00 0.21 0.00 0.00 52.86 50.87 2bt4 s ASN 1879Cb -0.15 -2.09 1.28 0.00 -0.55 0.00 0.00 41.25 39.73 2bt4 s ASN 1879CO -0.00 -0.62 1.84 -2.65 -2.79 0.00 0.00 177.10 172.88 2bt4 n PRO 1880N 4.34 0.40 0.00 0.43 -0.02 -1.26 -0.42 135.00 138.47 2bt4 n PRO 1880Ca 0.02 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2bt4 n PRO 1880Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 2bt4 n PRO 1880CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bt4 n ALA 1881N -1.26 0.00 0.05 3.55 0.00 -1.26 -1.87 120.51 119.72 2bt4 n ALA 1881Ca 0.12 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.75 2bt4 n ALA 1881Cb 0.19 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.32 2bt4 n ALA 1881CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bt4 h ALA 1882N -0.56 2.40 0.00 0.00 0.00 -1.93 0.40 119.26 119.57 2bt4 h ALA 1882Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2bt4 h ALA 1882Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2bt4 h ALA 1882CO 0.00 -0.54 0.00 1.88 0.00 0.00 0.00 179.25 180.59 2bt4 h TYR 1883N 0.00 0.00 -0.91 0.00 0.99 -1.77 -1.47 116.97 113.81 2bt4 h TYR 1883Ca 0.21 0.00 0.19 0.00 2.00 0.00 0.00 58.73 61.13 2bt4 h TYR 1883Cb 0.83 0.00 -0.11 0.00 1.00 0.00 0.00 36.73 38.45 2bt4 h TYR 1883CO 0.00 0.00 0.47 0.77 -0.00 0.00 0.00 178.16 179.40 2bt4 h SER 1884N 0.00 0.53 0.32 3.88 0.02 -0.93 -0.05 113.55 117.31 2bt4 h SER 1884Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2bt4 h SER 1884Cb 0.32 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2bt4 h SER 1884CO 0.00 0.14 -1.14 1.41 -1.14 0.00 0.00 176.83 176.10 2bt4 n HIS 1885N -4.91 0.19 0.00 3.45 8.25 -0.56 -0.87 115.22 120.77 2bt4 n HIS 1885Ca 0.21 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 2bt4 n HIS 1885Cb 0.57 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.30 2bt4 n HIS 1885CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2bt4 n THR 1886N -1.93 0.00 -3.15 1.59 -2.24 -1.07 -4.77 114.28 102.70 2bt4 n THR 1886Ca 0.01 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.34 2bt4 n THR 1886Cb 0.44 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 2bt4 n THR 1886CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2bt4 s SER 1887N -2.01 6.50 0.43 3.42 0.15 -0.05 -4.82 113.70 117.32 2bt4 s SER 1887Ca 0.00 -2.05 0.18 0.00 0.70 0.00 0.00 55.95 54.77 2bt4 s SER 1887Cb 0.00 -2.29 0.98 0.00 -1.71 0.00 0.00 66.02 63.00 2bt4 s SER 1887CO 0.00 -0.90 1.93 0.58 1.20 0.00 0.00 173.24 176.05 2bt4 h VAL 1888N 5.50 1.01 -0.81 4.45 2.07 -1.95 -2.91 116.25 123.62 2bt4 h VAL 1888Ca -0.04 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.56 2bt4 h VAL 1888Cb 1.06 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 2bt4 h VAL 1888CO 0.98 0.25 0.53 0.00 0.02 0.00 0.00 177.57 179.35 2bt4 h ALA 1889N 1.74 1.04 -0.11 1.67 0.00 -1.97 0.13 119.26 121.76 2bt4 h ALA 1889Ca -0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 2bt4 h ALA 1889Cb 0.51 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2bt4 h ALA 1889CO 0.03 0.40 -0.65 0.82 0.00 0.00 0.00 179.25 179.85 2bt4 h ILE 1890N 1.07 1.36 -0.15 0.00 2.04 -1.89 -1.67 117.51 118.28 2bt4 h ILE 1890Ca 0.30 -2.01 0.01 0.00 1.00 0.00 0.00 64.86 64.17 2bt4 h ILE 1890Cb -0.08 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 2bt4 h ILE 1890CO -0.08 0.61 0.05 0.25 0.00 0.00 0.00 178.15 178.98 2bt4 h LEU 1891N 0.30 0.06 -1.30 1.44 5.85 -1.31 -0.17 115.31 120.18 2bt4 h LEU 1891Ca -0.02 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2bt4 h LEU 1891Cb 1.21 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 2bt4 h LEU 1891CO 0.11 0.06 0.43 0.44 -0.34 0.00 0.00 178.44 179.14 2bt4 h ASP 1892N 0.12 0.79 -0.20 1.25 3.32 -0.60 -0.19 116.42 120.91 2bt4 h ASP 1892Ca 0.06 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 2bt4 h ASP 1892Cb 0.03 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2bt4 h ASP 1892CO -0.06 0.59 -0.03 0.00 -1.72 0.00 0.00 179.24 178.01 2bt4 h ALA 1893N 1.55 0.28 -0.54 3.45 0.00 -0.98 -2.73 119.26 120.29 2bt4 h ALA 1893Ca 0.25 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bt4 h ALA 1893Cb -0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2bt4 h ALA 1893CO -0.05 0.04 0.32 -0.07 0.00 0.00 0.00 179.25 179.48 2bt4 h LEU 1894N 0.11 0.65 -2.16 0.00 3.38 -0.48 -2.14 115.31 114.67 2bt4 h LEU 1894Ca 0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2bt4 h LEU 1894Cb 0.47 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2bt4 h LEU 1894CO 0.02 0.51 -0.06 0.78 0.09 0.00 0.00 178.44 179.78 2bt4 h ASN 1895N 0.75 0.00 0.69 -0.43 2.35 -0.75 -1.02 115.58 117.17 2bt4 h ASN 1895Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2bt4 h ASN 1895Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2bt4 h ASN 1895CO -0.04 0.06 0.00 0.35 -1.65 0.00 0.00 177.43 176.15 2bt4 n THR 1896N -3.41 0.20 -1.80 2.81 -2.24 -0.81 -4.24 114.28 104.79 2bt4 n THR 1896Ca -0.02 0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.41 2bt4 n THR 1896Cb 0.19 -0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 67.80 2bt4 n THR 1896CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bt4 n ASP 1898N 2.61 3.63 0.00 0.00 8.00 -1.26 -1.66 116.55 127.87 2bt4 n ASP 1898Ca 0.66 1.03 0.00 0.00 0.71 0.00 0.00 54.79 57.18 2bt4 n ASP 1898Cb 0.25 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 39.87 2bt4 n ASP 1898CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bt4 n GLY 1899N 3.95 2.49 3.75 0.44 0.00 -1.26 -5.01 105.19 109.55 2bt4 n GLY 1899Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 2bt4 n GLY 1899CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bt4 s LEU 1900N 0.00 4.36 0.20 0.99 2.96 -0.66 -5.02 118.68 121.51 2bt4 s LEU 1900Ca 0.00 1.01 -0.30 0.00 -0.22 0.00 0.00 54.13 54.63 2bt4 s LEU 1900Cb 0.00 -2.82 -0.08 0.00 0.50 0.00 0.00 46.19 43.79 2bt4 s LEU 1900CO 0.00 0.07 1.22 -2.16 -1.32 0.00 0.00 176.35 174.15 2bt4 s PRO 1901N 0.11 4.48 -0.07 0.98 0.04 -1.26 -4.94 135.00 134.34 2bt4 s PRO 1901Ca 0.29 1.92 0.01 0.00 0.04 0.00 0.00 61.00 63.26 2bt4 s PRO 1901Cb -0.17 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.18 2bt4 s PRO 1901CO 0.14 -0.10 -0.06 0.08 0.04 0.00 0.00 177.00 177.10 2bt4 s VAL 1902N -0.18 0.72 -0.10 -0.36 1.01 -1.26 -1.10 120.40 119.14 2bt4 s VAL 1902Ca 0.53 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.35 2bt4 s VAL 1902Cb -0.34 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.30 2bt4 s VAL 1902CO 0.38 0.29 -0.17 -0.69 0.00 0.00 0.00 175.10 174.91 2bt4 s VAL 1903N 1.22 1.59 -0.06 2.92 1.01 -0.29 -0.36 120.40 126.43 2bt4 s VAL 1903Ca -0.06 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 2bt4 s VAL 1903Cb -0.14 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 2bt4 s VAL 1903CO -0.02 0.46 0.35 -0.70 0.00 0.00 0.00 175.10 175.19 2bt4 s GLU 1904N 0.76 3.95 -0.06 2.72 2.12 -0.44 -1.25 118.70 126.50 2bt4 s GLU 1904Ca -0.11 0.27 0.02 0.00 0.36 0.00 0.00 54.97 55.51 2bt4 s GLU 1904Cb -0.16 -3.28 0.01 0.00 0.26 0.00 0.00 34.13 30.97 2bt4 s GLU 1904CO 0.02 0.57 -0.12 0.08 -0.54 0.00 0.00 175.26 175.27 2bt4 s VAL 1905N -0.60 1.08 -0.12 3.70 1.01 -0.18 -0.85 120.40 124.45 2bt4 s VAL 1905Ca 0.21 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.76 2bt4 s VAL 1905Cb -0.15 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.25 2bt4 s VAL 1905CO 0.10 0.34 -0.16 -1.00 0.00 0.00 0.00 175.10 174.38 2bt4 s HIS 1906N 0.67 2.10 0.14 5.22 3.76 -0.25 -4.03 115.29 122.89 2bt4 s HIS 1906Ca -0.14 -1.01 -0.17 0.00 -0.15 0.00 0.00 55.06 53.58 2bt4 s HIS 1906Cb -0.16 -1.50 -0.01 0.00 1.11 0.00 0.00 32.58 32.02 2bt4 s HIS 1906CO 0.03 -0.51 1.76 0.82 -0.85 0.00 0.00 174.74 175.99 2bt4 h ILE 1907N 5.95 1.12 -3.40 0.60 2.04 -1.86 -1.86 117.51 120.10 2bt4 h ILE 1907Ca -0.32 -0.30 -0.49 0.00 1.00 0.00 0.00 64.86 64.75 2bt4 h ILE 1907Cb 1.17 0.69 0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2bt4 h ILE 1907CO 0.50 0.13 0.01 -0.94 0.00 0.00 0.00 178.15 177.85 2bt4 s SER 1908N -5.60 6.35 -0.78 1.72 1.04 -1.26 -2.11 113.70 113.06 2bt4 s SER 1908Ca -0.13 0.85 -0.22 0.00 0.48 0.00 0.00 55.95 56.92 2bt4 s SER 1908Cb 0.10 -2.21 0.08 0.00 0.10 0.00 0.00 66.02 64.09 2bt4 s SER 1908CO 0.72 -0.42 1.10 0.21 0.98 0.00 0.00 173.24 175.84 2bt4 s ASN 1909N -3.72 6.32 0.52 7.02 3.84 -1.26 -1.86 114.94 125.79 2bt4 s ASN 1909Ca 0.46 -1.22 0.35 0.00 0.21 0.00 0.00 52.86 52.66 2bt4 s ASN 1909Cb -0.10 -2.45 1.74 0.00 -0.55 0.00 0.00 41.25 39.88 2bt4 s ASN 1909CO 0.38 -1.42 2.05 0.16 -2.79 0.00 0.00 177.10 175.48 2bt4 h ILE 1910N 6.05 0.00 0.00 -5.21 3.07 -1.93 -0.36 117.51 119.13 2bt4 h ILE 1910Ca -0.12 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 66.14 2bt4 h ILE 1910Cb 1.05 1.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.60 2bt4 h ILE 1910CO 1.21 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.72 2bt4 n HIS 1911N -2.80 0.77 0.64 0.16 8.25 -1.26 -1.86 115.22 119.13 2bt4 n HIS 1911Ca -0.01 0.29 0.12 0.00 -0.26 0.00 0.00 57.72 57.86 2bt4 n HIS 1911Cb 0.14 -0.97 0.17 0.00 1.12 0.00 0.00 29.99 30.44 2bt4 n HIS 1911CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2bt4 n GLN 1912N -2.19 2.42 -0.20 -0.41 6.02 -0.14 -4.97 117.38 117.90 2bt4 n GLN 1912Ca 0.03 -2.10 0.00 0.00 -0.01 0.00 0.00 57.00 54.91 2bt4 n GLN 1912Cb 0.25 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.02 2bt4 n GLN 1912CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2bt4 n ARG 1913N 1.41 2.91 -1.70 -1.09 1.74 -0.78 -5.06 116.66 114.10 2bt4 n ARG 1913Ca 0.17 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.85 2bt4 n ARG 1913Cb 0.60 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.06 2bt4 n ARG 1913CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2bt4 n GLU 1914N -0.12 1.75 -0.33 5.56 4.71 -1.26 -4.89 120.64 126.05 2bt4 n GLU 1914Ca 0.00 0.63 0.25 0.00 -0.01 0.00 0.00 57.16 58.03 2bt4 n GLU 1914Cb 0.00 -2.39 0.53 0.00 -1.01 0.00 0.00 31.44 28.58 2bt4 n GLU 1914CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 2bt4 h PRO 1915N 1.75 0.33 0.00 3.49 0.11 -1.96 0.28 132.00 136.00 2bt4 h PRO 1915Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2bt4 h PRO 1915Cb 1.31 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2bt4 h PRO 1915CO 0.58 0.22 -0.04 0.27 -0.21 0.00 0.00 178.00 178.82 2bt4 h PHE 1916N 0.34 0.00 -0.00 0.65 -5.15 -1.97 -1.91 116.94 108.91 2bt4 h PHE 1916Ca 0.61 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.38 2bt4 h PHE 1916Cb 1.64 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.81 2bt4 h PHE 1916CO -0.00 0.04 -0.03 0.54 -2.00 0.00 0.00 178.31 176.86 2bt4 n ARG 1917N -3.16 0.04 0.23 6.09 1.74 1.00 -3.83 116.66 118.76 2bt4 n ARG 1917Ca 0.00 -0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 2bt4 n ARG 1917Cb 0.33 -1.50 0.46 0.00 -1.02 0.00 0.00 32.46 30.73 2bt4 n ARG 1917CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2bt4 h HIS 1918N 0.00 0.00 -3.38 -1.55 3.86 -1.37 -3.44 115.15 109.28 2bt4 h HIS 1918Ca 0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 2bt4 h HIS 1918Cb 0.48 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.80 2bt4 h HIS 1918CO 0.00 0.19 -0.64 -1.01 0.86 0.00 0.00 177.93 177.33 2bt4 s HIS 1919N -3.60 3.09 -0.08 2.45 3.76 -1.25 -4.88 115.29 114.78 2bt4 s HIS 1919Ca 0.01 0.12 -0.01 0.00 -0.15 0.00 0.00 55.06 55.03 2bt4 s HIS 1919Cb 0.10 -1.72 0.03 0.00 1.11 0.00 0.00 32.58 32.09 2bt4 s HIS 1919CO 0.63 0.45 -0.02 0.45 -0.85 0.00 0.00 174.74 175.40 2bt4 s SER 1920N -1.19 1.75 0.31 1.40 0.15 -1.26 -4.25 113.70 110.62 2bt4 s SER 1920Ca 0.16 -0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.66 2bt4 s SER 1920Cb -0.11 -0.56 0.49 0.00 -1.71 0.00 0.00 66.02 64.13 2bt4 s SER 1920CO 0.06 -0.17 1.96 1.88 1.20 0.00 0.00 173.24 178.17 2bt4 h TYR 1921N 8.27 1.00 -0.42 3.44 -1.99 -1.31 -2.90 116.97 123.07 2bt4 h TYR 1921Ca -0.23 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.52 2bt4 h TYR 1921Cb 1.13 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 39.50 2bt4 h TYR 1921CO 0.48 0.61 0.24 0.28 -0.00 0.00 0.00 178.16 179.76 2bt4 h VAL 1922N 1.06 1.13 0.00 -2.88 2.07 -1.86 -1.74 116.25 114.03 2bt4 h VAL 1922Ca 0.32 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2bt4 h VAL 1922Cb -0.04 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2bt4 h VAL 1922CO -0.08 0.14 0.00 0.28 0.02 0.00 0.00 177.57 177.93 2bt4 h SER 1923N 0.58 0.00 0.74 0.57 0.02 -1.85 -0.69 113.55 112.92 2bt4 h SER 1923Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2bt4 h SER 1923Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2bt4 h SER 1923CO -0.03 0.00 0.00 1.56 -1.14 0.00 0.00 176.83 177.22 2bt4 h GLN 1924N 0.00 0.00 0.00 3.45 4.20 -1.45 -3.33 115.11 117.97 2bt4 h GLN 1924Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2bt4 h GLN 1924Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2bt4 h GLN 1924CO 0.00 0.00 -0.93 -2.13 -0.67 0.00 0.00 178.83 175.10 2bt4 n ARG 1925N -2.52 1.92 -1.67 1.46 3.00 -0.73 -5.04 116.66 113.08 2bt4 n ARG 1925Ca 0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.43 2bt4 n ARG 1925Cb 0.23 -0.96 -0.01 0.00 0.00 0.00 0.00 32.46 31.72 2bt4 n ARG 1925CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bt4 n ALA 1926N -2.15 0.92 -0.00 5.13 0.00 -0.34 -4.86 120.51 119.20 2bt4 n ALA 1926Ca 0.00 0.37 -0.13 0.00 0.00 0.00 0.00 53.44 53.68 2bt4 n ALA 1926Cb 0.46 -2.20 -0.10 0.00 0.00 0.00 0.00 19.45 17.62 2bt4 n ALA 1926CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2bt4 h ASP 1927N 2.49 -0.05 -3.19 0.00 3.32 -1.04 -3.45 116.42 114.50 2bt4 h ASP 1927Ca -0.44 -0.53 -0.64 0.00 0.02 0.00 0.00 57.03 55.44 2bt4 h ASP 1927Cb 1.30 0.01 -0.15 0.00 0.22 0.00 0.00 39.33 40.71 2bt4 h ASP 1927CO 0.63 0.53 -0.73 -0.83 -1.72 0.00 0.00 179.24 177.12 2bt4 s GLY 1928N -3.35 1.74 -0.09 2.75 0.00 -1.13 -5.05 107.32 102.20 2bt4 s GLY 1928Ca -0.16 -1.40 -0.00 0.00 0.00 0.00 0.00 44.72 43.16 2bt4 s GLY 1928CO 0.63 -1.40 -0.05 0.14 0.00 0.00 0.00 173.10 172.42 2bt4 s VAL 1929N -1.53 0.78 -0.13 1.40 1.01 -1.26 -1.32 120.40 119.34 2bt4 s VAL 1929Ca 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2bt4 s VAL 1929Cb -0.10 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 2bt4 s VAL 1929CO 0.15 0.32 -0.14 -0.69 0.00 0.00 0.00 175.10 174.73 2bt4 s VAL 1930N 1.59 2.92 0.01 2.92 1.01 -0.03 -4.97 120.40 123.86 2bt4 s VAL 1930Ca 0.01 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.29 2bt4 s VAL 1930Cb -0.13 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 2bt4 s VAL 1930CO -0.05 0.52 -0.02 0.00 0.00 0.00 0.00 175.10 175.55 2bt4 s ALA 1931N 0.44 0.16 -0.51 5.51 0.00 -1.26 -1.10 121.76 125.02 2bt4 s ALA 1931Ca -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.64 2bt4 s ALA 1931Cb -0.16 0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.96 2bt4 s ALA 1931CO 0.05 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.22 2bt4 n GLY 1932N 2.67 0.72 1.87 0.00 0.00 -0.70 -4.73 105.19 105.02 2bt4 n GLY 1932Ca -0.15 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.51 2bt4 n GLY 1932CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bt4 n GLY 1934N 0.41 0.63 0.11 0.00 0.00 -0.90 -2.65 105.19 102.79 2bt4 n GLY 1934Ca 0.30 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.57 2bt4 n GLY 1934CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2bt4 n VAL 1935N 0.00 0.80 0.30 1.61 0.24 -1.26 -1.97 118.33 118.05 2bt4 n VAL 1935Ca 0.00 0.16 0.20 0.00 -2.04 0.00 0.00 64.34 62.66 2bt4 n VAL 1935Cb 0.00 -1.05 1.08 0.00 -1.47 0.00 0.00 33.84 32.39 2bt4 n VAL 1935CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 2bt4 h GLN 1936N 0.00 0.00 -0.31 7.34 4.15 -1.92 -1.82 115.11 122.54 2bt4 h GLN 1936Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 2bt4 h GLN 1936Cb 0.40 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 2bt4 h GLN 1936CO 0.00 0.00 0.06 0.78 -1.93 0.00 0.00 178.83 177.74 2bt4 h GLY 1937N 0.00 0.49 1.44 2.39 0.00 -1.26 -0.22 103.07 105.91 2bt4 h GLY 1937Ca 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 2bt4 h GLY 1937CO 0.00 0.24 -0.02 -0.97 0.00 0.00 0.00 176.54 175.79 2bt4 h TYR 1938N 0.45 0.73 -0.67 5.60 -1.99 -1.53 0.03 116.97 119.59 2bt4 h TYR 1938Ca 0.11 -0.10 -0.07 0.00 2.00 0.00 0.00 58.73 60.67 2bt4 h TYR 1938Cb 0.21 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.71 2bt4 h TYR 1938CO 0.01 0.70 0.14 0.28 -0.00 0.00 0.00 178.16 179.28 2bt4 h VAL 1939N 0.64 1.26 -0.72 -2.88 2.07 -1.17 -1.15 116.25 114.30 2bt4 h VAL 1939Ca 0.13 -0.98 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 2bt4 h VAL 1939Cb 0.43 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2bt4 h VAL 1939CO 0.02 0.37 0.23 -0.26 0.02 0.00 0.00 177.57 177.95 2bt4 h PHE 1940N 1.02 1.16 -0.31 1.57 0.05 -0.92 0.24 116.94 119.75 2bt4 h PHE 1940Ca 0.21 -0.11 0.04 0.00 3.82 0.00 0.00 57.97 61.93 2bt4 h PHE 1940Cb 0.39 -0.34 -0.04 0.00 2.00 0.00 0.00 35.95 37.97 2bt4 h PHE 1940CO 0.03 0.91 0.06 0.78 -0.18 0.00 0.00 178.31 179.92 2bt4 h GLY 1941N 1.10 0.35 1.00 -1.45 0.00 -0.55 0.17 103.07 103.69 2bt4 h GLY 1941Ca 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 2bt4 h GLY 1941CO -0.01 -0.01 0.20 -2.08 0.00 0.00 0.00 176.54 174.64 2bt4 h VAL 1942N 0.18 1.24 -0.26 4.60 2.07 -0.62 -1.05 116.25 122.40 2bt4 h VAL 1942Ca 0.14 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 2bt4 h VAL 1942Cb 0.15 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2bt4 h VAL 1942CO -0.18 0.30 -0.01 -0.33 0.02 0.00 0.00 177.57 177.37 2bt4 h GLU 1943N 0.83 0.40 -0.18 1.57 5.08 0.04 -0.50 114.58 121.81 2bt4 h GLU 1943Ca 0.19 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2bt4 h GLU 1943Cb 0.26 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2bt4 h GLU 1943CO -0.01 0.43 -0.11 -0.09 -1.00 0.00 0.00 179.01 178.23 2bt4 h ARG 1944N 0.38 0.40 -0.64 2.33 9.65 -0.24 -1.78 114.38 124.48 2bt4 h ARG 1944Ca 0.09 -0.18 0.03 0.00 -1.10 0.00 0.00 59.98 58.81 2bt4 h ARG 1944Cb 0.27 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.81 2bt4 h ARG 1944CO 0.01 0.72 0.39 0.82 2.80 0.00 0.00 179.97 184.70 2bt4 h ILE 1945N 0.08 1.06 -0.98 1.20 1.08 -0.94 0.50 117.51 119.51 2bt4 h ILE 1945Ca 0.04 -0.26 0.05 0.00 -0.39 0.00 0.00 64.86 64.30 2bt4 h ILE 1945Cb 0.61 0.24 -0.06 0.00 -3.07 0.00 0.00 36.82 34.54 2bt4 h ILE 1945CO 0.03 0.14 0.64 0.00 -0.69 0.00 0.00 178.15 178.27 2bt4 h ALA 1946N 1.29 1.34 -0.44 1.87 0.00 -1.00 0.67 119.26 122.97 2bt4 h ALA 1946Ca 0.26 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 2bt4 h ALA 1946Cb 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2bt4 h ALA 1946CO -0.12 0.47 -0.21 0.00 0.00 0.00 0.00 179.25 179.40 2bt4 h ALA 1947N 1.43 0.79 0.04 0.00 0.00 -0.78 -3.27 119.26 117.47 2bt4 h ALA 1947Ca 0.41 -0.38 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 2bt4 h ALA 1947Cb 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2bt4 h ALA 1947CO -0.15 0.65 -1.32 -0.07 0.00 0.00 0.00 179.25 178.37 2bt4 h LEU 1948N 0.77 0.13 -2.91 0.00 3.38 -0.31 -3.28 115.31 113.09 2bt4 h LEU 1948Ca 0.10 -0.17 -0.24 0.00 0.09 0.00 0.00 57.88 57.66 2bt4 h LEU 1948Cb 0.76 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.32 2bt4 h LEU 1948CO 0.06 1.14 0.30 0.00 0.09 0.00 0.00 178.44 180.03 2bt4 n ALA 1949N -2.49 3.93 -1.85 1.53 0.00 0.23 -5.03 120.51 116.83 2bt4 n ALA 1949Ca -0.09 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.03 2bt4 n ALA 1949Cb 1.00 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 19.24 2bt4 n ALA 1949CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91