#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nlx n THR 1805N 0.00 0.12 -0.07 0.00 -1.04 -1.26 -4.00 114.28 108.04 1nlx n THR 1805Ca 0.00 -0.18 -0.15 0.00 -2.04 0.00 0.00 64.05 61.69 1nlx n THR 1805Cb 0.00 0.30 -0.06 0.00 -1.82 0.00 0.00 70.33 68.75 1nlx n THR 1805CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1nlx h THR 1806N 0.00 1.31 -0.80 12.58 2.02 -2.00 -2.74 112.91 123.27 1nlx h THR 1806Ca 0.00 -1.66 0.04 0.00 0.77 0.00 0.00 66.41 65.56 1nlx h THR 1806Cb 0.67 1.79 -0.05 0.00 -1.74 0.00 0.00 68.15 68.82 1nlx h THR 1806CO 0.00 0.52 0.50 -0.08 0.37 0.00 0.00 175.52 176.84 1nlx h GLU 1807N 0.42 0.93 -0.18 6.66 4.57 -1.93 -0.75 114.58 124.30 1nlx h GLU 1807Ca 0.01 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1nlx h GLU 1807Cb 1.05 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 1nlx h GLU 1807CO 0.10 0.62 0.10 1.49 -1.18 0.00 0.00 179.01 180.13 1nlx h GLU 1808N 0.96 0.26 0.09 1.92 4.81 -1.71 -1.04 114.58 119.86 1nlx h GLU 1808Ca 0.33 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1nlx h GLU 1808Cb 0.07 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1nlx h GLU 1808CO -0.14 0.26 -0.22 1.96 -0.73 0.00 0.00 179.01 180.14 1nlx h GLN 1809N 0.19 -0.39 -0.65 1.92 4.20 -1.10 -1.30 115.11 117.97 1nlx h GLN 1809Ca 0.06 0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.90 1nlx h GLN 1809Cb 0.08 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.87 1nlx h GLN 1809CO -0.01 -0.26 0.27 -0.22 -0.67 0.00 0.00 178.83 177.94 1nlx h LYS 1810N -0.40 0.45 -0.78 1.46 3.64 -1.00 -0.97 116.57 118.97 1nlx h LYS 1810Ca 0.04 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1nlx h LYS 1810Cb 0.44 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 1nlx h LYS 1810CO -0.15 0.30 0.42 -0.07 -2.27 0.00 0.00 179.45 177.69 1nlx h LEU 1811N 0.47 0.97 -0.87 5.20 3.38 -0.74 -1.03 115.31 122.68 1nlx h LEU 1811Ca 0.33 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1nlx h LEU 1811Cb 0.40 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1nlx h LEU 1811CO -0.31 0.78 0.43 0.40 0.09 0.00 0.00 178.44 179.84 1nlx h ILE 1812N 1.09 1.26 -0.31 1.22 1.08 -0.05 -0.20 117.51 121.59 1nlx h ILE 1812Ca 0.27 -0.71 0.01 0.00 -0.39 0.00 0.00 64.86 64.04 1nlx h ILE 1812Cb 0.03 0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 33.90 1nlx h ILE 1812CO -0.04 0.31 0.20 -0.33 -0.69 0.00 0.00 178.15 177.60 1nlx h GLU 1813N 1.23 0.40 -0.06 2.37 4.39 -0.30 -0.99 114.58 121.62 1nlx h GLU 1813Ca 0.30 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.99 1nlx h GLU 1813Cb 0.09 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1nlx h GLU 1813CO -0.04 0.26 0.00 -0.44 -1.16 0.00 0.00 179.01 177.63 1nlx h ASP 1814N 0.41 -0.02 -0.13 1.42 3.32 -0.66 0.03 116.42 120.79 1nlx h ASP 1814Ca 0.12 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.22 1nlx h ASP 1814Cb -0.03 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 1nlx h ASP 1814CO -0.04 0.00 -0.19 0.58 -1.72 0.00 0.00 179.24 177.88 1nlx h VAL 1815N 0.02 0.52 -0.94 -1.35 2.07 -0.79 0.80 116.25 116.58 1nlx h VAL 1815Ca 0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1nlx h VAL 1815Cb 0.03 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 1nlx h VAL 1815CO -0.04 0.00 0.60 -1.13 0.02 0.00 0.00 177.57 177.01 1nlx h ASN 1816N -0.23 0.96 -0.08 0.57 -1.24 -0.93 0.65 115.58 115.27 1nlx h ASN 1816Ca 0.10 0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.13 1nlx h ASN 1816Cb 0.38 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 1nlx h ASN 1816CO -0.27 0.62 0.02 0.00 -1.29 0.00 0.00 177.43 176.51 1nlx h ALA 1817N 1.43 0.08 -0.71 1.57 0.00 0.15 0.14 119.26 121.92 1nlx h ALA 1817Ca 0.40 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.35 1nlx h ALA 1817Cb 0.14 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1nlx h ALA 1817CO -0.17 -0.44 0.46 0.77 0.00 0.00 0.00 179.25 179.87 1nlx h SER 1818N 0.06 0.76 0.45 0.00 0.02 -0.12 0.16 113.55 114.89 1nlx h SER 1818Ca 0.03 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1nlx h SER 1818Cb 0.02 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1nlx h SER 1818CO -0.04 0.54 -0.25 0.15 -1.14 0.00 0.00 176.83 176.09 1nlx h PHE 1819N 0.90 -0.64 -0.85 3.45 3.57 -0.46 -0.46 116.94 122.45 1nlx h PHE 1819Ca 0.28 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.78 1nlx h PHE 1819Cb -0.02 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1nlx h PHE 1819CO -0.03 -0.39 0.56 -0.09 -2.23 0.00 0.00 178.31 176.13 1nlx h ARG 1820N -0.65 1.11 -0.24 1.11 9.65 -0.52 -0.67 114.38 124.18 1nlx h ARG 1820Ca -0.05 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 58.73 1nlx h ARG 1820Cb 0.52 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 1nlx h ARG 1820CO 0.07 0.74 0.03 0.00 2.80 0.00 0.00 179.97 183.61 1nlx h ALA 1821N 1.47 0.32 -0.73 2.80 0.00 -0.73 -1.78 119.26 120.61 1nlx h ALA 1821Ca 0.31 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1nlx h ALA 1821Cb -0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1nlx h ALA 1821CO -0.07 0.02 0.47 0.00 0.00 0.00 0.00 179.25 179.67 1nlx h ALA 1822N 0.84 0.95 -0.90 0.00 0.00 -0.58 -0.79 119.26 118.78 1nlx h ALA 1822Ca 0.07 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1nlx h ALA 1822Cb 0.35 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 1nlx h ALA 1822CO 0.01 0.30 0.54 0.52 0.00 0.00 0.00 179.25 180.61 1nlx h MET 1823N 0.94 0.86 -0.54 0.00 2.07 -0.85 -0.11 114.93 117.30 1nlx h MET 1823Ca 0.28 -0.05 0.03 0.00 -2.07 0.00 0.00 59.70 57.89 1nlx h MET 1823Cb -0.04 -0.19 -0.03 0.00 -1.87 0.00 0.00 31.60 29.47 1nlx h MET 1823CO -0.09 0.57 0.36 0.00 1.07 0.00 0.00 176.91 178.82 1nlx h ALA 1824N 1.49 1.73 -0.06 6.32 0.00 -0.26 -0.32 119.26 128.16 1nlx h ALA 1824Ca 0.44 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.34 1nlx h ALA 1824Cb 0.40 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1nlx h ALA 1824CO -0.25 0.22 0.12 1.15 0.00 0.00 0.00 179.25 180.48 1nlx h THR 1825N 0.63 0.23 0.00 0.00 2.02 -0.56 -1.38 112.91 113.85 1nlx h THR 1825Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1nlx h THR 1825Cb 0.08 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1nlx h THR 1825CO -0.06 0.00 -0.25 1.07 0.37 0.00 0.00 175.52 176.65 1nlx n THR 1826N -3.40 0.42 0.00 3.16 5.66 -0.13 -4.56 114.28 115.44 1nlx n THR 1826Ca -0.01 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1nlx n THR 1826Cb 0.20 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 68.62 1nlx n THR 1826CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nlx n ALA 1827N -1.76 -0.08 1.45 1.79 0.00 -0.52 -2.97 120.51 118.42 1nlx n ALA 1827Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.61 1nlx n ALA 1827Cb 0.42 0.37 0.70 0.00 0.00 0.00 0.00 19.45 20.94 1nlx n ALA 1827CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nlx n ASN 1828N -2.49 0.00 -4.88 0.00 4.13 -1.26 -4.83 115.26 105.93 1nlx n ASN 1828Ca 0.00 -0.62 -0.32 0.00 1.68 0.00 0.00 54.58 55.33 1nlx n ASN 1828Cb 0.00 -0.06 -0.05 0.00 -1.54 0.00 0.00 39.78 38.13 1nlx n ASN 1828CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1nlx s VAL 1829N -2.12 4.95 0.38 2.41 -7.23 -1.16 -5.06 120.40 112.57 1nlx s VAL 1829Ca 0.34 0.42 -0.25 0.00 -1.81 0.00 0.00 61.98 60.68 1nlx s VAL 1829Cb 0.17 -3.62 -0.09 0.00 0.56 0.00 0.00 36.38 33.39 1nlx s VAL 1829CO 0.30 -0.07 1.05 -2.16 -0.31 0.00 0.00 175.10 173.90 1nlx s PRO 1830N -2.84 4.25 0.05 4.82 0.04 -1.26 -4.70 135.00 135.35 1nlx s PRO 1830Ca 0.47 1.53 -0.09 0.00 0.04 0.00 0.00 61.00 62.95 1nlx s PRO 1830Cb -0.11 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.77 1nlx s PRO 1830CO 0.22 -0.07 0.51 -0.35 0.04 0.00 0.00 177.00 177.35 1nlx n PRO 1831N 0.12 -0.13 0.31 0.56 -0.04 -1.26 0.86 135.00 135.42 1nlx n PRO 1831Ca 0.04 0.50 0.09 0.00 -0.04 0.00 0.00 63.50 64.09 1nlx n PRO 1831Cb 0.49 -0.74 0.47 0.00 -0.04 0.00 0.00 33.50 33.68 1nlx n PRO 1831CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nlx h ALA 1832N 0.10 1.56 0.00 0.55 0.00 -1.94 0.54 119.26 120.07 1nlx h ALA 1832Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nlx h ALA 1832Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1nlx h ALA 1832CO -0.28 -0.56 -1.02 -0.25 0.00 0.00 0.00 179.25 177.14 1nlx n ASP 1833N -2.64 1.23 0.02 0.00 10.43 0.25 -4.70 116.55 121.14 1nlx n ASP 1833Ca -0.01 -0.45 -0.13 0.00 2.57 0.00 0.00 54.79 56.77 1nlx n ASP 1833Cb 0.60 1.25 -0.07 0.00 1.84 0.00 0.00 41.12 44.75 1nlx n ASP 1833CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 1nlx h LYS 1834N 0.00 -0.51 0.49 -1.24 1.57 0.41 -1.94 116.57 115.34 1nlx h LYS 1834Ca 0.00 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1nlx h LYS 1834Cb 0.42 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1nlx h LYS 1834CO 0.00 -0.34 -0.44 -0.92 -0.57 0.00 0.00 179.45 177.18 1nlx h TYR 1835N -0.53 -1.20 -0.72 -1.35 3.20 -1.84 -0.70 116.97 113.82 1nlx h TYR 1835Ca 0.06 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.09 1nlx h TYR 1835Cb 0.65 0.46 -0.11 0.00 1.54 0.00 0.00 36.73 39.27 1nlx h TYR 1835CO -0.48 -0.61 0.19 1.57 -1.64 0.00 0.00 178.16 177.19 1nlx h LYS 1836N -0.93 0.28 0.25 1.82 2.10 -1.84 0.12 116.57 118.38 1nlx h LYS 1836Ca -0.05 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 1nlx h LYS 1836Cb 0.80 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1nlx h LYS 1836CO -0.04 0.19 -0.12 1.15 -2.00 0.00 0.00 179.45 178.63 1nlx h THR 1837N 0.29 0.78 -0.13 0.07 2.02 -1.14 -1.95 112.91 112.85 1nlx h THR 1837Ca 0.40 -0.16 0.03 0.00 0.77 0.00 0.00 66.41 67.46 1nlx h THR 1837Cb 0.67 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1nlx h THR 1837CO -0.49 0.03 -0.07 0.15 0.37 0.00 0.00 175.52 175.52 1nlx h PHE 1838N -0.41 -0.16 -0.54 3.16 3.57 -0.45 -2.07 116.94 120.03 1nlx h PHE 1838Ca -0.03 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.58 1nlx h PHE 1838Cb 0.31 0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.07 1nlx h PHE 1838CO -0.04 -0.11 0.09 1.49 -2.23 0.00 0.00 178.31 177.52 1nlx h GLU 1839N -0.06 0.22 -0.13 1.11 4.22 -0.71 0.12 114.58 119.35 1nlx h GLU 1839Ca 0.08 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.50 1nlx h GLU 1839Cb 0.17 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1nlx h GLU 1839CO -0.17 0.14 0.08 0.00 -2.18 0.00 0.00 179.01 176.88 1nlx h ALA 1840N 1.44 0.17 -0.65 2.92 0.00 -1.03 -0.66 119.26 121.45 1nlx h ALA 1840Ca 0.28 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1nlx h ALA 1840Cb 0.40 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1nlx h ALA 1840CO -0.38 -0.31 0.25 0.00 0.00 0.00 0.00 179.25 178.82 1nlx h ALA 1841N 1.00 0.84 -0.36 0.00 0.00 -0.75 -3.12 119.26 116.87 1nlx h ALA 1841Ca 0.05 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1nlx h ALA 1841Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1nlx h ALA 1841CO -0.01 0.46 -0.33 0.35 0.00 0.00 0.00 179.25 179.72 1nlx h PHE 1842N 0.91 0.94 -0.85 0.00 3.57 -0.63 -3.16 116.94 117.73 1nlx h PHE 1842Ca 0.21 -0.26 0.07 0.00 3.53 0.00 0.00 57.97 61.53 1nlx h PHE 1842Cb 0.21 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.69 1nlx h PHE 1842CO 0.01 1.02 0.55 1.15 -2.23 0.00 0.00 178.31 178.82 1nlx h THR 1843N 0.67 1.03 0.29 4.41 2.02 -1.05 -0.04 112.91 120.24 1nlx h THR 1843Ca 0.07 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1nlx h THR 1843Cb 0.88 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1nlx h THR 1843CO 0.08 0.17 -0.14 0.58 0.37 0.00 0.00 175.52 176.58 1nlx h VAL 1844N 0.92 0.00 -0.30 3.16 2.07 -1.57 -3.18 116.25 117.36 1nlx h VAL 1844Ca 0.37 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.93 1nlx h VAL 1844Cb 0.26 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1nlx h VAL 1844CO -0.14 0.00 0.21 0.77 0.02 0.00 0.00 177.57 178.43 1nlx h SER 1845N -0.44 0.00 -0.27 0.57 4.64 -1.56 -2.75 113.55 113.74 1nlx h SER 1845Ca -0.04 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1nlx h SER 1845Cb 0.30 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1nlx h SER 1845CO 0.07 0.00 0.17 0.28 -0.87 0.00 0.00 176.83 176.48 1nlx h SER 1846N 0.00 0.29 -0.74 4.97 0.02 -1.03 -2.70 113.55 114.38 1nlx h SER 1846Ca 0.14 -0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.18 1nlx h SER 1846Cb 0.56 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.96 1nlx h SER 1846CO -0.00 0.21 0.38 0.11 -1.14 0.00 0.00 176.83 176.39 1nlx h LYS 1847N 0.35 0.62 0.17 3.45 1.57 -1.46 0.15 116.57 121.42 1nlx h LYS 1847Ca 0.10 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1nlx h LYS 1847Cb -0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1nlx h LYS 1847CO -0.03 0.41 -0.16 -0.09 -0.57 0.00 0.00 179.45 179.01 1nlx h ARG 1848N 0.63 -0.34 -0.41 3.15 2.43 -1.60 -0.51 114.38 117.74 1nlx h ARG 1848Ca 0.36 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.63 1nlx h ARG 1848Cb 0.38 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 1nlx h ARG 1848CO -0.27 -0.23 0.02 -0.91 -1.51 0.00 0.00 179.97 177.07 1nlx h ASN 1849N -0.36 -0.13 -1.00 -3.80 -0.26 -0.98 -0.46 115.58 108.60 1nlx h ASN 1849Ca 0.00 0.09 0.01 0.00 -0.56 0.00 0.00 56.30 55.84 1nlx h ASN 1849Cb 0.33 0.15 -0.05 0.00 -1.06 0.00 0.00 38.32 37.70 1nlx h ASN 1849CO -0.03 -0.03 0.66 0.25 -1.06 0.00 0.00 177.43 177.22 1nlx h LEU 1850N 0.13 1.15 -0.48 1.61 5.85 -0.42 -1.21 115.31 121.92 1nlx h LEU 1850Ca 0.20 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1nlx h LEU 1850Cb 0.28 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1nlx h LEU 1850CO -0.32 0.83 0.15 0.00 -0.34 0.00 0.00 178.44 178.76 1nlx h ALA 1851N 1.37 0.63 -1.00 1.25 0.00 -0.14 -0.66 119.26 120.71 1nlx h ALA 1851Ca 0.37 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1nlx h ALA 1851Cb -0.16 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.39 1nlx h ALA 1851CO -0.08 0.29 0.66 -0.44 0.00 0.00 0.00 179.25 179.68 1nlx h ASP 1852N 0.65 1.10 -0.31 0.00 5.19 -0.61 -2.09 116.42 120.35 1nlx h ASP 1852Ca 0.16 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.53 1nlx h ASP 1852Cb 0.27 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1nlx h ASP 1852CO -0.00 0.76 0.11 0.00 -3.12 0.00 0.00 179.24 176.98 1nlx h ALA 1853N 1.41 0.40 -0.83 3.45 0.00 -0.66 0.47 119.26 123.50 1nlx h ALA 1853Ca 0.39 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 55.35 1nlx h ALA 1853Cb -0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1nlx h ALA 1853CO -0.12 0.02 0.56 0.28 0.00 0.00 0.00 179.25 179.99 1nlx h VAL 1854N 0.34 0.70 0.00 0.00 2.07 -0.43 0.21 116.25 119.14 1nlx h VAL 1854Ca 0.10 -0.11 -0.18 0.00 0.82 0.00 0.00 66.70 67.33 1nlx h VAL 1854Cb 0.21 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1nlx h VAL 1854CO -0.01 0.06 -2.10 -1.54 0.02 0.00 0.00 177.57 174.00 1nlx n SER 1855N -4.46 0.44 -0.08 0.57 3.41 -1.09 -4.29 113.62 108.12 1nlx n SER 1855Ca 0.17 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.66 1nlx n SER 1855Cb 0.67 1.40 -0.15 0.00 -0.26 0.00 0.00 64.21 65.88 1nlx n SER 1855CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nlx n LYS 1856N -2.45 0.68 -2.90 4.33 4.76 0.14 -4.82 118.16 117.88 1nlx n LYS 1856Ca -0.18 0.10 -0.12 0.00 -2.87 0.00 0.00 58.31 55.25 1nlx n LYS 1856Cb 0.83 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 1nlx n LYS 1856CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nlx n ALA 1857N -2.85 -0.40 -0.34 7.82 0.00 0.68 -4.87 120.51 120.55 1nlx n ALA 1857Ca -0.33 -1.83 0.14 0.00 0.00 0.00 0.00 53.44 51.43 1nlx n ALA 1857Cb 1.09 -1.23 0.35 0.00 0.00 0.00 0.00 19.45 19.67 1nlx n ALA 1857CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1nlx h PRO 1858N 4.48 0.68 -0.09 0.00 0.13 -1.59 -0.78 132.00 134.82 1nlx h PRO 1858Ca -0.00 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 65.11 1nlx h PRO 1858Cb 1.01 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 1nlx h PRO 1858CO 0.26 0.45 0.12 -0.56 -0.23 0.00 0.00 178.00 178.04 1nlx h GLN 1859N 0.70 0.00 0.00 0.86 -0.00 -1.95 0.10 115.11 114.81 1nlx h GLN 1859Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.23 1nlx h GLN 1859Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.47 1nlx h GLN 1859CO -0.37 0.00 0.00 1.25 -0.00 0.00 0.00 178.83 179.71 1nlx h LEU 1860N 0.00 0.00 0.48 0.06 5.85 -1.48 -3.37 115.31 116.86 1nlx h LEU 1860Ca 0.04 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1nlx h LEU 1860Cb 0.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1nlx h LEU 1860CO -0.00 0.00 -0.37 0.58 -0.34 0.00 0.00 178.44 178.31 1nlx h VAL 1861N 0.00 0.24 -0.25 1.05 2.07 -1.05 -0.20 116.25 118.11 1nlx h VAL 1861Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1nlx h VAL 1861Cb 0.89 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1nlx h VAL 1861CO 0.00 0.00 0.17 1.55 0.02 0.00 0.00 177.57 179.31 1nlx h PRO 1862N -0.84 0.21 -0.06 1.57 0.13 -1.73 0.17 132.00 131.45 1nlx h PRO 1862Ca -0.05 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 1nlx h PRO 1862Cb 0.72 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 1nlx h PRO 1862CO 0.00 0.14 -0.01 0.87 -0.23 0.00 0.00 178.00 178.77 1nlx h LYS 1863N 0.22 0.11 -0.97 0.86 1.57 -1.65 -1.83 116.57 114.88 1nlx h LYS 1863Ca 0.10 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.91 1nlx h LYS 1863Cb 0.15 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.38 1nlx h LYS 1863CO -0.02 0.43 0.62 -0.07 -0.57 0.00 0.00 179.45 179.84 1nlx h LEU 1864N -0.22 0.99 -2.08 2.94 4.07 -0.14 0.18 115.31 121.04 1nlx h LEU 1864Ca 0.02 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 1nlx h LEU 1864Cb 0.38 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 1nlx h LEU 1864CO 0.00 0.62 -0.08 0.44 -1.08 0.00 0.00 178.44 178.35 1nlx h ASP 1865N 1.12 0.00 0.01 -0.43 3.32 -0.40 -2.18 116.42 117.86 1nlx h ASP 1865Ca 0.42 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.33 1nlx h ASP 1865Cb 0.18 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.74 1nlx h ASP 1865CO -0.18 0.08 -0.56 -0.33 -1.72 0.00 0.00 179.24 176.53 1nlx h GLU 1866N 0.00 0.36 -0.20 3.56 4.39 0.19 -1.43 114.58 121.45 1nlx h GLU 1866Ca -0.00 -0.40 -0.01 0.00 0.34 0.00 0.00 59.36 59.29 1nlx h GLU 1866Cb 0.27 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1nlx h GLU 1866CO 0.01 1.09 0.10 -0.39 -1.16 0.00 0.00 179.01 178.65 1nlx h VAL 1867N -0.20 1.13 0.12 3.13 -1.51 -1.06 0.43 116.25 118.29 1nlx h VAL 1867Ca -0.07 -0.36 0.02 0.00 -1.23 0.00 0.00 66.70 65.05 1nlx h VAL 1867Cb 1.29 1.01 -0.03 0.00 -2.13 0.00 0.00 31.29 31.42 1nlx h VAL 1867CO 0.11 0.12 -0.26 1.88 -1.23 0.00 0.00 177.57 178.19 1nlx h TYR 1868N 0.19 -0.69 -0.21 5.19 0.99 -1.50 0.41 116.97 121.36 1nlx h TYR 1868Ca 0.07 0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.87 1nlx h TYR 1868Cb 0.11 0.29 -0.06 0.00 1.00 0.00 0.00 36.73 38.06 1nlx h TYR 1868CO -0.03 -0.36 -0.22 -0.91 -0.00 0.00 0.00 178.16 176.64 1nlx h ASN 1869N -0.47 -0.70 -0.46 3.88 2.35 -0.86 0.16 115.58 119.47 1nlx h ASN 1869Ca 0.03 0.13 0.08 0.00 -0.55 0.00 0.00 56.30 55.99 1nlx h ASN 1869Cb 0.49 0.33 -0.10 0.00 0.05 0.00 0.00 38.32 39.10 1nlx h ASN 1869CO -0.15 -0.26 -0.36 0.00 -1.65 0.00 0.00 177.43 175.01 1nlx h ALA 1870N 0.81 -0.21 0.83 -0.83 0.00 0.33 0.56 119.26 120.74 1nlx h ALA 1870Ca 0.13 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1nlx h ALA 1870Cb 0.43 0.78 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1nlx h ALA 1870CO -0.35 -0.75 -0.40 0.00 0.00 0.00 0.00 179.25 177.75 1nlx h ALA 1871N 0.73 -1.22 -0.89 0.00 0.00 0.08 -0.94 119.26 117.03 1nlx h ALA 1871Ca 0.18 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 55.01 1nlx h ALA 1871Cb 0.55 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1nlx h ALA 1871CO -0.59 -1.13 0.57 1.88 0.00 0.00 0.00 179.25 179.98 1nlx h TYR 1872N -1.18 0.71 -0.16 0.00 0.05 -0.60 -0.58 116.97 115.20 1nlx h TYR 1872Ca -0.11 0.02 -0.18 0.00 0.05 0.00 0.00 58.73 58.51 1nlx h TYR 1872Cb 0.85 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 38.37 1nlx h TYR 1872CO 0.02 0.23 -0.64 -0.91 -1.05 0.00 0.00 178.16 175.82 1nlx h ASN 1873N 0.58 0.67 -0.36 3.88 2.35 -0.81 -0.76 115.58 121.14 1nlx h ASN 1873Ca 0.45 -0.40 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1nlx h ASN 1873Cb 0.88 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 1nlx h ASN 1873CO -0.20 1.14 0.16 0.00 -1.65 0.00 0.00 177.43 176.88 1nlx h ALA 1874N 0.86 0.46 -0.26 -0.83 0.00 0.31 -2.78 119.26 117.02 1nlx h ALA 1874Ca -0.01 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1nlx h ALA 1874Cb 1.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1nlx h ALA 1874CO 0.12 0.05 -0.38 0.00 0.00 0.00 0.00 179.25 179.04 1nlx h ALA 1875N 1.00 0.86 -0.92 0.00 0.00 -1.35 -2.98 119.26 115.87 1nlx h ALA 1875Ca 0.12 -0.43 0.12 0.00 0.00 0.00 0.00 54.91 54.72 1nlx h ALA 1875Cb 0.16 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1nlx h ALA 1875CO -0.01 0.64 0.59 0.22 0.00 0.00 0.00 179.25 180.68 1nlx h ASP 1876N 0.49 0.79 -0.38 0.00 3.58 -0.89 -1.09 116.42 118.92 1nlx h ASP 1876Ca 0.05 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1nlx h ASP 1876Cb 0.88 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.80 1nlx h ASP 1876CO 0.08 0.44 0.00 1.41 -2.88 0.00 0.00 179.24 178.28 1nlx n HIS 1877N -4.56 0.50 -3.69 0.28 8.25 -1.07 -4.95 115.22 109.98 1nlx n HIS 1877Ca 0.17 -0.25 -0.26 0.00 -0.26 0.00 0.00 57.72 57.11 1nlx n HIS 1877Cb 0.36 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 1nlx n HIS 1877CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nlx s ALA 1878N -1.50 3.83 0.46 -1.41 0.00 -0.41 -5.07 121.76 117.65 1nlx s ALA 1878Ca 0.38 -0.87 -0.24 0.00 0.00 0.00 0.00 51.96 51.23 1nlx s ALA 1878Cb 0.21 -1.98 -0.07 0.00 0.00 0.00 0.00 23.12 21.28 1nlx s ALA 1878CO 0.30 0.37 1.28 0.00 0.00 0.00 0.00 175.76 177.71 1nlx s ALA 1879N -1.92 3.06 0.25 0.00 0.00 -1.26 -4.63 121.76 117.26 1nlx s ALA 1879Ca 0.38 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.48 1nlx s ALA 1879Cb -0.11 -3.48 0.49 0.00 0.00 0.00 0.00 23.12 20.03 1nlx s ALA 1879CO 0.30 -0.93 1.35 -2.30 0.00 0.00 0.00 175.76 174.17 1nlx n PRO 1880N -0.37 -0.07 0.27 0.00 -0.02 -1.26 0.88 135.00 134.42 1nlx n PRO 1880Ca 0.07 1.33 0.13 0.00 -2.02 0.00 0.00 63.50 63.00 1nlx n PRO 1880Cb 0.45 -2.02 0.82 0.00 -0.02 0.00 0.00 33.50 32.72 1nlx n PRO 1880CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1nlx h GLU 1881N 0.00 0.00 0.00 -0.52 4.11 -1.97 -2.97 114.58 113.23 1nlx h GLU 1881Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.88 1nlx h GLU 1881Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1nlx h GLU 1881CO -0.86 0.00 -1.29 -0.25 0.07 0.00 0.00 179.01 176.68 1nlx n ASP 1882N -4.07 0.84 -0.25 3.06 8.00 0.25 -4.70 116.55 119.69 1nlx n ASP 1882Ca -0.02 -0.50 -0.06 0.00 0.71 0.00 0.00 54.79 54.92 1nlx n ASP 1882Cb 0.13 1.38 -0.01 0.00 -0.02 0.00 0.00 41.12 42.59 1nlx n ASP 1882CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1nlx h LYS 1883N 0.00 -0.16 -0.07 -1.24 1.57 -1.14 0.12 116.57 115.65 1nlx h LYS 1883Ca 0.00 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1nlx h LYS 1883Cb 0.60 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 1nlx h LYS 1883CO 0.00 -0.10 -0.15 -0.92 -0.57 0.00 0.00 179.45 177.70 1nlx h TYR 1884N -0.16 -0.39 -0.69 -1.35 3.20 -1.84 -0.63 116.97 115.11 1nlx h TYR 1884Ca 0.22 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 1nlx h TYR 1884Cb 0.56 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.98 1nlx h TYR 1884CO -0.73 -0.22 0.31 1.49 -1.64 0.00 0.00 178.16 177.36 1nlx h GLU 1885N -0.22 0.99 -0.64 1.82 4.81 -1.75 -1.59 114.58 118.00 1nlx h GLU 1885Ca 0.07 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1nlx h GLU 1885Cb 0.32 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1nlx h GLU 1885CO -0.20 0.78 0.36 0.00 -0.73 0.00 0.00 179.01 179.22 1nlx h ALA 1886N 1.36 0.82 0.51 2.92 0.00 -0.10 -0.97 119.26 123.80 1nlx h ALA 1886Ca 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1nlx h ALA 1886Cb 0.13 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1nlx h ALA 1886CO -0.03 0.32 -0.25 0.35 0.00 0.00 0.00 179.25 179.65 1nlx h PHE 1887N 0.87 -0.64 -0.36 0.00 3.04 -0.77 -2.42 116.94 116.66 1nlx h PHE 1887Ca 0.23 -0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.23 1nlx h PHE 1887Cb 0.02 0.21 -0.07 0.00 2.56 0.00 0.00 35.95 38.67 1nlx h PHE 1887CO -0.01 -0.31 -0.06 0.28 -2.02 0.00 0.00 178.31 176.18 1nlx h VAL 1888N -0.94 0.66 0.15 1.41 2.07 -1.25 0.13 116.25 118.48 1nlx h VAL 1888Ca -0.07 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1nlx h VAL 1888Cb 0.61 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1nlx h VAL 1888CO 0.12 0.00 -0.20 0.25 0.02 0.00 0.00 177.57 177.76 1nlx h LEU 1889N 0.03 -0.53 -1.11 2.57 5.85 -1.22 -1.08 115.31 119.81 1nlx h LEU 1889Ca 0.17 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 1nlx h LEU 1889Cb 0.26 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1nlx h LEU 1889CO -0.35 -0.28 -0.35 0.45 -0.34 0.00 0.00 178.44 177.57 1nlx h HIS 1890N -0.40 0.20 -0.08 1.25 3.86 -1.13 -2.71 115.15 116.13 1nlx h HIS 1890Ca 0.01 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.14 1nlx h HIS 1890Cb 0.40 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.82 1nlx h HIS 1890CO -0.17 0.51 -0.09 0.35 0.86 0.00 0.00 177.93 179.39 1nlx h PHE 1891N 0.15 0.24 -0.46 2.45 3.57 -0.53 -1.52 116.94 120.85 1nlx h PHE 1891Ca 0.02 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.46 1nlx h PHE 1891Cb 0.69 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 1nlx h PHE 1891CO 0.01 0.65 0.27 0.66 -2.23 0.00 0.00 178.31 177.67 1nlx h SER 1892N -0.23 0.45 -0.12 0.41 4.64 -1.17 -1.10 113.55 116.43 1nlx h SER 1892Ca 0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1nlx h SER 1892Cb 0.61 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1nlx h SER 1892CO 0.02 0.32 -0.05 -0.33 -0.87 0.00 0.00 176.83 175.92 1nlx h GLU 1893N 0.55 0.24 -0.95 4.77 5.08 -1.51 -2.16 114.58 120.60 1nlx h GLU 1893Ca 0.18 -0.10 0.08 0.00 -1.00 0.00 0.00 59.36 58.51 1nlx h GLU 1893Cb 0.01 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 1nlx h GLU 1893CO -0.08 0.58 0.61 0.00 -1.00 0.00 0.00 179.01 179.13 1nlx h ALA 1894N 0.65 1.49 -0.56 3.43 0.00 -1.14 -0.22 119.26 122.91 1nlx h ALA 1894Ca 0.03 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1nlx h ALA 1894Cb 0.51 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1nlx h ALA 1894CO 0.02 0.35 -0.08 1.25 0.00 0.00 0.00 179.25 180.78 1nlx h LEU 1895N 1.06 1.04 -0.94 0.00 5.85 -1.12 -1.00 115.31 120.20 1nlx h LEU 1895Ca 0.42 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1nlx h LEU 1895Cb 0.25 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1nlx h LEU 1895CO -0.17 1.13 0.22 0.03 -0.34 0.00 0.00 178.44 179.31 1nlx h ARG 1896N 0.93 0.98 0.02 1.25 3.08 -0.52 0.60 114.38 120.73 1nlx h ARG 1896Ca 0.15 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1nlx h ARG 1896Cb 0.65 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1nlx h ARG 1896CO 0.04 0.84 -0.01 0.82 -1.07 0.00 0.00 179.97 180.59 1nlx h ILE 1897N 0.96 1.16 -0.28 2.04 2.04 -0.84 0.98 117.51 123.57 1nlx h ILE 1897Ca 0.22 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.55 1nlx h ILE 1897Cb 0.25 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1nlx h ILE 1897CO -0.01 0.15 0.19 0.40 0.00 0.00 0.00 178.15 178.88 1nlx h ILE 1898N -0.27 0.95 0.00 -0.67 5.03 -0.84 -0.02 117.51 121.69 1nlx h ILE 1898Ca -0.00 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.68 1nlx h ILE 1898Cb 0.26 0.76 0.00 0.00 -3.03 0.00 0.00 36.82 34.81 1nlx h ILE 1898CO 0.00 0.03 -0.06 0.00 -0.68 0.00 0.00 178.15 177.45 1nlx n ALA 1899N -2.54 2.43 -1.05 1.87 0.00 0.17 -4.91 120.51 116.49 1nlx n ALA 1899Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1nlx n ALA 1899Cb 0.23 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1nlx n ALA 1899CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nlx n GLY 1900N 1.46 0.42 3.66 0.00 0.00 -0.02 -5.00 105.19 105.70 1nlx n GLY 1900Ca 0.06 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 1nlx n GLY 1900CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nlx s THR 1901N -2.00 4.66 0.20 2.61 2.01 0.25 -4.96 115.64 118.41 1nlx s THR 1901Ca 0.00 2.00 -0.10 0.00 0.31 0.00 0.00 61.69 63.90 1nlx s THR 1901Cb 0.00 -4.29 0.13 0.00 0.01 0.00 0.00 72.50 68.35 1nlx s THR 1901CO 0.00 -0.16 1.81 1.55 -0.69 0.00 0.00 174.62 177.12 1nlx h PRO 1902N 7.47 1.03 -4.94 4.92 0.13 -1.95 -3.36 132.00 135.29 1nlx h PRO 1902Ca -0.20 -0.13 -0.69 0.00 -0.87 0.00 0.00 66.00 64.10 1nlx h PRO 1902Cb 1.07 -0.19 -0.18 0.00 0.13 0.00 0.00 31.00 31.82 1nlx h PRO 1902CO 0.97 0.78 0.67 -1.21 -0.23 0.00 0.00 178.00 178.98 1nlx s GLU 1903N -5.79 3.50 0.03 0.86 0.41 -1.26 -4.83 118.70 111.63 1nlx s GLU 1903Ca -0.13 -1.68 0.26 0.00 -0.41 0.00 0.00 54.97 53.01 1nlx s GLU 1903Cb 0.15 -4.74 0.66 0.00 -1.78 0.00 0.00 34.13 28.42 1nlx s GLU 1903CO 0.80 -1.72 1.54 1.33 -0.49 0.00 0.00 175.26 176.72 1nlx n VAL 1904N 5.41 0.10 0.00 2.63 0.24 -1.26 -4.66 118.33 120.79 1nlx n VAL 1904Ca 0.17 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1nlx n VAL 1904Cb 0.48 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 1nlx n VAL 1904CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1nlx n HIS 1905N -1.66 0.00 -3.86 6.34 -0.00 -1.26 -4.57 115.22 110.20 1nlx n HIS 1905Ca 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.73 1nlx n HIS 1905Cb 0.36 -0.11 0.02 0.00 -0.00 0.00 0.00 29.99 30.27 1nlx n HIS 1905CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1nlx n ALA 1906N -1.63 -2.45 -0.05 1.57 0.00 -1.26 -5.02 120.51 111.66 1nlx n ALA 1906Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.40 1nlx n ALA 1906Cb 0.00 0.64 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1nlx n ALA 1906CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78