#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvp n ILE 1810N 0.00 0.52 -4.40 -0.61 0.13 -1.26 -4.65 119.36 109.08 2kvp n ILE 1810Ca 0.00 -0.76 -0.25 0.00 -1.10 0.00 0.00 62.75 60.64 2kvp n ILE 1810Cb 0.00 0.91 -0.17 0.00 -0.84 0.00 0.00 39.64 39.55 2kvp n ILE 1810CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 2kvp s ASP 1811N -1.20 1.93 0.00 9.51 -1.08 -1.26 -5.03 116.67 119.54 2kvp s ASP 1811Ca 0.28 -0.31 0.19 0.00 -0.52 0.00 0.00 52.55 52.18 2kvp s ASP 1811Cb 0.16 -0.85 0.86 0.00 -1.46 0.00 0.00 42.92 41.63 2kvp s ASP 1811CO 0.23 -0.01 1.58 -0.81 0.52 0.00 0.00 175.17 176.68 2kvp n PRO 1812N 4.13 0.13 -0.01 4.34 -0.04 -1.26 -2.84 135.00 139.44 2kvp n PRO 1812Ca -0.20 0.15 -0.02 0.00 -0.04 0.00 0.00 63.50 63.39 2kvp n PRO 1812Cb 0.51 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.73 2kvp n PRO 1812CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2kvp h PHE 1813N 0.00 0.57 -1.69 0.54 3.57 -1.97 -3.43 116.94 114.53 2kvp h PHE 1813Ca 0.00 -0.08 -0.45 0.00 3.53 0.00 0.00 57.97 60.98 2kvp h PHE 1813Cb 0.25 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2kvp h PHE 1813CO 0.00 0.61 -0.34 -0.08 -2.23 0.00 0.00 178.31 176.27 2kvp s THR 1814N -4.83 3.62 0.94 4.41 -1.32 -1.13 -5.10 115.64 112.24 2kvp s THR 1814Ca -0.08 -1.07 -0.11 0.00 -1.21 0.00 0.00 61.69 59.22 2kvp s THR 1814Cb 0.15 -3.24 0.16 0.00 -1.51 0.00 0.00 72.50 68.05 2kvp s THR 1814CO 0.78 -0.11 1.09 0.54 -2.21 0.00 0.00 174.62 174.71 2kvp s ASN 1815N -4.19 2.99 -0.67 8.08 2.20 -1.26 -4.43 114.94 117.66 2kvp s ASN 1815Ca 0.47 1.60 -0.04 0.00 -0.94 0.00 0.00 52.86 53.95 2kvp s ASN 1815Cb -0.09 -2.25 0.01 0.00 -2.00 0.00 0.00 41.25 36.92 2kvp s ASN 1815CO 0.31 -2.96 0.67 1.21 -2.94 0.00 0.00 177.10 173.39 2kvp n GLU 1816N -4.10 -1.58 -3.21 3.55 2.13 -1.26 -3.62 120.64 112.54 2kvp n GLU 1816Ca 0.07 1.59 -0.11 0.00 0.66 0.00 0.00 57.16 59.37 2kvp n GLU 1816Cb 0.55 -5.48 -0.05 0.00 0.27 0.00 0.00 31.44 26.73 2kvp n GLU 1816CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kvp s ALA 1817N -2.89 -0.99 0.19 4.31 0.00 -1.26 0.05 121.76 121.16 2kvp s ALA 1817Ca 0.06 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 2kvp s ALA 1817Cb -0.02 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.83 2kvp s ALA 1817CO 0.77 -2.16 0.33 0.00 0.00 0.00 0.00 175.76 174.70 2kvp n ALA 1818N 3.85 -0.61 -2.15 0.00 0.00 -1.26 -4.83 120.51 115.52 2kvp n ALA 1818Ca 0.15 -0.70 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 2kvp n ALA 1818Cb 0.50 0.56 -0.03 0.00 0.00 0.00 0.00 19.45 20.49 2kvp n ALA 1818CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2kvp s SER 1819N -2.05 6.73 0.00 0.00 0.01 -1.26 -4.33 113.70 112.80 2kvp s SER 1819Ca 0.10 2.01 0.00 0.00 1.31 0.00 0.00 55.95 59.37 2kvp s SER 1819Cb -0.02 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2kvp s SER 1819CO 0.08 -0.90 0.00 0.00 0.41 0.00 0.00 173.24 172.82 2kvp n ALA 1820N 7.09 0.00 -3.56 1.44 0.00 -1.26 -4.65 120.51 119.57 2kvp n ALA 1820Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.52 2kvp n ALA 1820Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 2kvp n ALA 1820CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kvp s ALA 1821N -1.00 -1.94 -1.55 0.00 0.00 -1.26 -5.03 121.76 110.98 2kvp s ALA 1821Ca 0.00 1.43 0.19 0.00 0.00 0.00 0.00 51.96 53.58 2kvp s ALA 1821Cb 0.00 -0.30 0.66 0.00 0.00 0.00 0.00 23.12 23.48 2kvp s ALA 1821CO 0.00 -0.48 1.56 0.41 0.00 0.00 0.00 175.76 177.25 2kvp n GLY 1822N 0.25 2.43 0.00 0.00 0.00 -1.26 -4.95 105.19 101.67 2kvp n GLY 1822Ca -0.07 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2kvp n GLY 1822CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kvp n VAL 1823N 1.29 0.00 0.06 1.61 0.24 -1.26 -4.88 118.33 115.40 2kvp n VAL 1823Ca 0.24 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.40 2kvp n VAL 1823Cb 0.73 -1.85 -0.14 0.00 -1.47 0.00 0.00 33.84 31.12 2kvp n VAL 1823CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2kvp h VAL 1824N -0.82 1.28 -1.48 3.34 2.07 -1.92 -3.43 116.25 115.29 2kvp h VAL 1824Ca 0.00 -2.95 -0.65 0.00 0.82 0.00 0.00 66.70 63.92 2kvp h VAL 1824Cb 0.00 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 2kvp h VAL 1824CO 0.00 0.82 1.34 0.61 0.02 0.00 0.00 177.57 180.36 2kvp n GLY 1825N 1.57 0.81 0.00 2.17 0.00 -1.26 -1.65 105.19 106.84 2kvp n GLY 1825Ca -0.12 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.79 2kvp n GLY 1825CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kvp n GLY 1826N 5.83 2.87 0.20 -0.02 0.00 -1.26 -4.84 105.19 107.97 2kvp n GLY 1826Ca 0.34 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.70 2kvp n GLY 1826CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvp h MET 1827N 0.00 0.00 0.00 1.61 -0.00 -1.61 -3.08 114.93 111.85 2kvp h MET 1827Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2kvp h MET 1827Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2kvp h MET 1827CO 0.00 0.15 -0.01 -0.24 -0.00 0.00 0.00 176.91 176.81 2kvp h VAL 1828N 0.00 0.36 -0.74 -0.10 3.04 -1.64 -0.68 116.25 116.50 2kvp h VAL 1828Ca -0.00 -0.05 0.05 0.00 -1.01 0.00 0.00 66.70 65.69 2kvp h VAL 1828Cb 1.08 1.04 -0.04 0.00 -2.01 0.00 0.00 31.29 31.35 2kvp h VAL 1828CO 0.02 0.01 0.49 -0.78 -1.01 0.00 0.00 177.57 176.30 2kvp h ASP 1829N 0.00 0.72 -0.21 3.17 3.58 -1.82 -1.31 116.42 120.54 2kvp h ASP 1829Ca -0.00 -0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2kvp h ASP 1829Cb 0.04 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 2kvp h ASP 1829CO 0.00 0.48 -0.04 0.28 -2.88 0.00 0.00 179.24 177.08 2kvp h SER 1830N 0.83 0.51 -0.19 2.28 0.02 -1.33 0.25 113.55 115.91 2kvp h SER 1830Ca 0.31 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.10 2kvp h SER 1830Cb 0.18 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2kvp h SER 1830CO -0.10 0.61 -0.08 0.40 -1.14 0.00 0.00 176.83 176.52 2kvp h ILE 1831N 0.51 1.30 -0.17 3.27 2.04 -1.35 -1.90 117.51 121.21 2kvp h ILE 1831Ca 0.10 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 2kvp h ILE 1831Cb 0.39 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2kvp h ILE 1831CO 0.02 0.34 0.08 0.74 0.00 0.00 0.00 178.15 179.32 2kvp h THR 1832N 0.10 1.13 -0.83 -0.27 2.02 -0.85 -2.72 112.91 111.49 2kvp h THR 1832Ca 0.04 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 66.86 2kvp h THR 1832Cb 0.56 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 2kvp h THR 1832CO 0.03 0.12 0.55 -0.61 0.37 0.00 0.00 175.52 175.98 2kvp h GLN 1833N 0.14 1.07 -0.75 6.66 4.15 -0.55 -2.32 115.11 123.52 2kvp h GLN 1833Ca 0.06 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 2kvp h GLN 1833Cb 0.12 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 27.54 2kvp h GLN 1833CO -0.01 0.71 0.41 0.00 -1.93 0.00 0.00 178.83 178.01 2kvp h ALA 1834N 1.49 1.31 -0.56 3.38 0.00 -1.05 -2.14 119.26 121.69 2kvp h ALA 1834Ca 0.31 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2kvp h ALA 1834Cb -0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 2kvp h ALA 1834CO -0.07 0.56 0.37 0.82 0.00 0.00 0.00 179.25 180.93 2kvp h ILE 1835N 1.04 1.14 -0.05 0.00 2.04 -1.12 -2.64 117.51 117.92 2kvp h ILE 1835Ca 0.26 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2kvp h ILE 1835Cb 0.03 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 2kvp h ILE 1835CO -0.04 0.14 0.02 0.78 0.00 0.00 0.00 178.15 179.05 2kvp h ASN 1836N 0.76 0.07 0.08 1.72 2.35 -1.31 -3.09 115.58 116.16 2kvp h ASN 1836Ca 0.21 -0.16 -0.09 0.00 -0.55 0.00 0.00 56.30 55.71 2kvp h ASN 1836Cb -0.08 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2kvp h ASN 1836CO -0.05 0.21 -0.28 0.06 -1.65 0.00 0.00 177.43 175.72 2kvp h GLN 1837N -0.08 0.32 -0.55 0.81 3.07 -1.44 -2.98 115.11 114.26 2kvp h GLN 1837Ca 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 58.65 58.62 2kvp h GLN 1837Cb 0.16 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 27.67 2kvp h GLN 1837CO -0.00 0.58 0.29 -0.07 0.09 0.00 0.00 178.83 179.72 2kvp h LEU 1838N 0.29 0.70 -0.16 0.06 3.38 -1.38 0.42 115.31 118.62 2kvp h LEU 1838Ca 0.04 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2kvp h LEU 1838Cb 0.65 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2kvp h LEU 1838CO 0.05 0.61 -0.62 -0.78 0.09 0.00 0.00 178.44 177.78 2kvp h ASP 1839N 0.75 0.00 -0.07 -0.43 3.58 -1.57 -3.17 116.42 115.51 2kvp h ASP 1839Ca 0.19 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 2kvp h ASP 1839Cb 0.07 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 2kvp h ASP 1839CO -0.03 0.62 -0.05 -0.33 -2.88 0.00 0.00 179.24 176.58 2kvp h GLU 1840N 0.00 0.16 0.00 0.28 4.39 -1.33 -3.50 114.58 114.57 2kvp h GLU 1840Ca -0.01 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2kvp h GLU 1840Cb 1.41 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 2kvp h GLU 1840CO 0.08 0.56 0.00 0.41 -1.16 0.00 0.00 179.01 178.90 2kvp n GLY 1841N 0.10 2.21 0.00 -3.84 0.00 0.11 -5.09 105.19 98.69 2kvp n GLY 1841Ca -0.07 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.96 2kvp n GLY 1841CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kvp n PRO 1842N 0.92 1.01 -0.62 1.61 -0.04 -1.26 -4.90 135.00 131.71 2kvp n PRO 1842Ca 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 2kvp n PRO 1842Cb 0.00 0.00 0.30 0.00 -0.04 0.00 0.00 33.50 33.76 2kvp n PRO 1842CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2kvp n MET 1843N -0.47 3.69 -3.20 0.54 2.81 -1.26 -4.87 117.12 114.36 2kvp n MET 1843Ca 0.00 -2.31 -0.16 0.00 -1.81 0.00 0.00 57.70 53.42 2kvp n MET 1843Cb 0.00 -1.98 0.05 0.00 -0.71 0.00 0.00 33.22 30.58 2kvp n MET 1843CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kvp n GLY 1844N 0.60 -0.06 2.96 3.03 0.00 -1.26 -4.99 105.19 105.47 2kvp n GLY 1844Ca 0.20 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2kvp n GLY 1844CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kvp s ASP 1845N -3.18 5.06 -0.23 1.61 -4.77 -1.26 -5.04 116.67 108.86 2kvp s ASP 1845Ca 0.38 -3.71 -0.26 0.00 -3.30 0.00 0.00 52.55 45.67 2kvp s ASP 1845Cb -0.17 -1.71 -0.00 0.00 -1.09 0.00 0.00 42.92 39.95 2kvp s ASP 1845CO 0.47 -0.13 0.87 -2.16 0.70 0.00 0.00 175.17 174.93 2kvp s PRO 1846N -1.27 4.22 0.29 2.11 0.04 -1.26 -4.71 135.00 134.42 2kvp s PRO 1846Ca 0.24 1.04 0.05 0.00 0.04 0.00 0.00 61.00 62.38 2kvp s PRO 1846Cb -0.08 -3.63 0.44 0.00 0.04 0.00 0.00 34.50 31.27 2kvp s PRO 1846CO -0.14 -0.51 1.71 1.49 0.04 0.00 0.00 177.00 179.59 2kvp h GLU 1847N 7.57 0.32 0.00 4.56 4.81 -1.97 -3.46 114.58 126.41 2kvp h GLU 1847Ca -0.23 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2kvp h GLU 1847Cb 1.09 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2kvp h GLU 1847CO 0.89 0.64 0.00 0.41 -0.73 0.00 0.00 179.01 180.22 2kvp n GLY 1848N -0.24 4.17 3.88 1.92 0.00 -1.26 -5.15 105.19 108.51 2kvp n GLY 1848Ca -0.01 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 2kvp n GLY 1848CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kvp s SER 1849N -0.94 6.29 0.33 1.61 0.15 -1.26 -4.95 113.70 114.92 2kvp s SER 1849Ca 0.00 1.24 0.05 0.00 0.70 0.00 0.00 55.95 57.94 2kvp s SER 1849Cb 0.00 -2.39 0.69 0.00 -1.71 0.00 0.00 66.02 62.61 2kvp s SER 1849CO 0.00 -0.72 1.88 0.15 1.20 0.00 0.00 173.24 175.75 2kvp h PHE 1850N 0.05 0.95 -0.88 3.44 3.57 -1.92 -0.62 116.94 121.53 2kvp h PHE 1850Ca -0.45 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.19 2kvp h PHE 1850Cb 1.19 -0.30 -0.08 0.00 2.79 0.00 0.00 35.95 39.55 2kvp h PHE 1850CO 0.63 0.40 0.51 -0.24 -2.23 0.00 0.00 178.31 177.37 2kvp h VAL 1851N 0.84 0.84 -0.37 1.41 3.04 -1.93 0.36 116.25 120.44 2kvp h VAL 1851Ca 0.44 -0.27 -0.07 0.00 -1.01 0.00 0.00 66.70 65.79 2kvp h VAL 1851Cb 0.52 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.77 2kvp h VAL 1851CO -0.20 0.14 -0.03 -0.78 -1.01 0.00 0.00 177.57 175.69 2kvp h ASP 1852N 0.78 0.66 -0.34 3.17 1.82 -1.49 0.06 116.42 121.10 2kvp h ASP 1852Ca 0.45 -0.33 -0.06 0.00 -0.39 0.00 0.00 57.03 56.70 2kvp h ASP 1852Cb 0.52 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 2kvp h ASP 1852CO -0.30 0.84 -0.03 1.88 -1.61 0.00 0.00 179.24 180.02 2kvp h TYR 1853N 0.48 0.68 0.28 0.28 0.05 -1.20 -2.39 116.97 115.16 2kvp h TYR 1853Ca 0.10 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 2kvp h TYR 1853Cb 0.51 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 2kvp h TYR 1853CO 0.04 0.75 -0.21 0.37 -1.05 0.00 0.00 178.16 178.07 2kvp h GLN 1854N 0.41 -0.47 0.00 4.88 4.15 -0.14 0.24 115.11 124.18 2kvp h GLN 1854Ca 0.09 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 2kvp h GLN 1854Cb 0.50 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.30 2kvp h GLN 1854CO 0.02 -0.31 -0.11 0.00 -1.93 0.00 0.00 178.83 176.50 2kvp h THR 1855N -0.49 0.84 0.01 2.39 1.03 -1.00 -1.55 112.91 114.14 2kvp h THR 1855Ca -0.02 -0.42 -0.00 0.00 -0.01 0.00 0.00 66.41 65.96 2kvp h THR 1855Cb 0.43 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.75 2kvp h THR 1855CO -0.00 0.11 -0.01 0.74 -0.01 0.00 0.00 175.52 176.35 2kvp h THR 1856N 0.00 1.48 -0.53 0.00 2.02 -1.01 -3.31 112.91 111.56 2kvp h THR 1856Ca -0.00 -1.99 -0.03 0.00 0.77 0.00 0.00 66.41 65.16 2kvp h THR 1856Cb 0.23 2.74 -0.03 0.00 -1.74 0.00 0.00 68.15 69.35 2kvp h THR 1856CO 0.01 0.48 0.21 0.24 0.37 0.00 0.00 175.52 176.83 2kvp h MET 1857N -0.94 0.76 -0.04 6.66 2.86 -0.16 -0.01 114.93 124.07 2kvp h MET 1857Ca -0.00 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 2kvp h MET 1857Cb 0.80 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 2kvp h MET 1857CO 0.00 0.63 -0.17 -0.39 1.06 0.00 0.00 176.91 178.04 2kvp h VAL 1858N 0.75 1.15 0.05 -2.22 -1.51 -1.45 0.62 116.25 113.63 2kvp h VAL 1858Ca 0.18 -0.68 -0.18 0.00 -1.23 0.00 0.00 66.70 64.79 2kvp h VAL 1858Cb 0.15 1.31 0.02 0.00 -2.13 0.00 0.00 31.29 30.64 2kvp h VAL 1858CO -0.02 0.20 -0.75 0.03 -1.23 0.00 0.00 177.57 175.81 2kvp h ARG 1859N 0.06 0.42 -0.39 5.19 3.08 -1.18 -2.90 114.38 118.66 2kvp h ARG 1859Ca 0.01 -0.52 -0.05 0.00 0.07 0.00 0.00 59.98 59.50 2kvp h ARG 1859Cb 0.34 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 2kvp h ARG 1859CO 0.02 1.18 0.04 1.15 -1.07 0.00 0.00 179.97 181.30 2kvp h THR 1860N -0.10 1.20 -0.45 2.04 2.02 -0.69 0.81 112.91 117.73 2kvp h THR 1860Ca -0.11 -0.76 -0.05 0.00 0.77 0.00 0.00 66.41 66.27 2kvp h THR 1860Cb 1.48 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 2kvp h THR 1860CO 0.14 0.27 0.10 0.00 0.37 0.00 0.00 175.52 176.40 2kvp h ALA 1861N 1.48 0.60 -0.35 6.16 0.00 -0.94 -0.11 119.26 126.10 2kvp h ALA 1861Ca 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2kvp h ALA 1861Cb 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2kvp h ALA 1861CO 0.01 0.29 0.09 0.87 0.00 0.00 0.00 179.25 180.50 2kvp h LYS 1862N 0.61 0.51 -0.40 0.00 1.57 -1.18 -0.09 116.57 117.58 2kvp h LYS 1862Ca 0.14 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2kvp h LYS 1862Cb 0.34 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2kvp h LYS 1862CO 0.00 0.47 0.06 0.00 -0.57 0.00 0.00 179.45 179.41 2kvp h ALA 1863N 1.59 0.53 0.00 3.86 0.00 -0.21 -1.22 119.26 123.82 2kvp h ALA 1863Ca 0.12 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 2kvp h ALA 1863Cb 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2kvp h ALA 1863CO -0.00 0.25 -0.53 -0.84 0.00 0.00 0.00 179.25 178.13 2kvp h ILE 1864N 0.51 1.24 -0.55 0.00 -0.00 -0.71 -2.63 117.51 115.38 2kvp h ILE 1864Ca 0.12 -1.91 -0.09 0.00 -0.00 0.00 0.00 64.86 62.98 2kvp h ILE 1864Cb 0.38 2.07 -0.02 0.00 -0.00 0.00 0.00 36.82 39.25 2kvp h ILE 1864CO 0.01 0.52 -0.01 0.00 -0.00 0.00 0.00 178.15 178.67 2kvp h ALA 1865N 1.47 0.74 0.00 0.16 0.00 -0.69 0.38 119.26 121.32 2kvp h ALA 1865Ca -0.01 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2kvp h ALA 1865Cb 1.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2kvp h ALA 1865CO 0.07 0.57 -0.33 -0.24 0.00 0.00 0.00 179.25 179.32 2kvp h VAL 1866N 0.85 0.74 0.22 0.00 3.04 -1.16 -1.09 116.25 118.84 2kvp h VAL 1866Ca 0.15 -1.46 -0.01 0.00 -1.01 0.00 0.00 66.70 64.37 2kvp h VAL 1866Cb 0.56 1.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2kvp h VAL 1866CO 0.03 0.32 -0.11 0.74 -1.01 0.00 0.00 177.57 177.55 2kvp h THR 1867N 0.00 0.82 -0.84 3.17 2.02 -1.05 -1.99 112.91 115.04 2kvp h THR 1867Ca -0.00 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 2kvp h THR 1867Cb 0.91 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 2kvp h THR 1867CO 0.04 0.17 0.46 1.62 0.37 0.00 0.00 175.52 178.19 2kvp h VAL 1868N -0.75 1.24 0.00 3.16 3.04 -0.89 0.10 116.25 122.15 2kvp h VAL 1868Ca -0.03 -0.60 -0.04 0.00 -1.01 0.00 0.00 66.70 65.02 2kvp h VAL 1868Cb 0.50 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 29.89 2kvp h VAL 1868CO 0.05 0.27 -0.20 0.06 -1.01 0.00 0.00 177.57 176.74 2kvp h GLN 1869N 1.16 0.00 0.11 4.17 -0.00 -1.27 -1.85 115.11 117.43 2kvp h GLN 1869Ca 0.29 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.66 2kvp h GLN 1869Cb 0.02 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.52 2kvp h GLN 1869CO -0.05 0.20 -1.20 1.49 -0.00 0.00 0.00 178.83 179.27 2kvp h GLU 1870N 0.00 0.52 -0.29 0.06 4.57 -0.43 -3.17 114.58 115.84 2kvp h GLU 1870Ca -0.00 -0.70 -0.00 0.00 -1.18 0.00 0.00 59.36 57.47 2kvp h GLU 1870Cb 0.47 0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 2kvp h GLU 1870CO 0.03 1.30 0.17 0.52 -1.18 0.00 0.00 179.01 179.85 2kvp h MET 1871N 0.22 0.40 -0.67 1.92 2.86 -0.05 0.69 114.93 120.31 2kvp h MET 1871Ca -0.16 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 2kvp h MET 1871Cb 1.88 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 33.42 2kvp h MET 1871CO 0.22 0.34 0.37 -0.24 1.06 0.00 0.00 176.91 178.66 2kvp h VAL 1872N 0.36 1.20 -0.02 -2.22 3.04 -1.54 0.29 116.25 117.36 2kvp h VAL 1872Ca 0.10 -0.50 -0.11 0.00 -1.01 0.00 0.00 66.70 65.18 2kvp h VAL 1872Cb 0.05 0.29 0.01 0.00 -2.01 0.00 0.00 31.29 29.62 2kvp h VAL 1872CO -0.02 0.22 -0.43 0.74 -1.01 0.00 0.00 177.57 177.08 2kvp h THR 1873N 0.94 1.46 -0.09 3.17 2.02 -1.35 -3.24 112.91 115.82 2kvp h THR 1873Ca 0.24 -1.96 -0.06 0.00 0.77 0.00 0.00 66.41 65.40 2kvp h THR 1873Cb 0.02 2.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.01 2kvp h THR 1873CO -0.04 0.56 -0.24 0.11 0.37 0.00 0.00 175.52 176.28 2kvp h LYS 1874N -0.24 0.15 0.00 6.66 1.79 0.56 -2.21 116.57 123.28 2kvp h LYS 1874Ca -0.05 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2kvp h LYS 1874Cb 1.14 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2kvp h LYS 1874CO 0.08 0.38 -0.01 1.03 -1.08 0.00 0.00 179.45 179.86 2kvp h SER 1875N 0.14 0.00 0.35 0.86 0.87 -0.96 1.09 113.55 115.90 2kvp h SER 1875Ca 0.02 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.26 2kvp h SER 1875Cb 0.50 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.48 2kvp h SER 1875CO 0.03 0.01 -1.48 0.78 -0.53 0.00 0.00 176.83 175.65 2kvp h ASN 1876N 0.00 0.69 0.00 6.23 2.35 -1.48 -3.40 115.58 119.98 2kvp h ASN 1876Ca -0.00 -0.79 -0.40 0.00 -0.55 0.00 0.00 56.30 54.56 2kvp h ASN 1876Cb 0.03 -0.23 -0.07 0.00 0.05 0.00 0.00 38.32 38.11 2kvp h ASN 1876CO 0.00 1.63 -2.47 0.35 -1.65 0.00 0.00 177.43 175.29 2kvp n THR 1877N -3.64 1.51 -3.36 2.81 -2.24 -0.65 -4.91 114.28 103.79 2kvp n THR 1877Ca -0.16 -0.54 -0.16 0.00 -2.27 0.00 0.00 64.05 60.92 2kvp n THR 1877Cb 1.08 -1.51 -0.08 0.00 -2.10 0.00 0.00 70.33 67.72 2kvp n THR 1877CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kvp s SER 1878N -6.70 1.16 0.19 3.42 0.15 0.37 -4.98 113.70 107.31 2kvp s SER 1878Ca -0.35 -1.20 0.17 0.00 0.70 0.00 0.00 55.95 55.27 2kvp s SER 1878Cb 0.10 0.64 0.81 0.00 -1.71 0.00 0.00 66.02 65.86 2kvp s SER 1878CO 0.59 -0.30 1.53 -2.65 1.20 0.00 0.00 173.24 173.60 2kvp n PRO 1879N 4.67 0.11 0.20 5.44 -0.02 -1.22 -1.84 135.00 142.33 2kvp n PRO 1879Ca 0.06 0.48 0.07 0.00 -2.02 0.00 0.00 63.50 62.09 2kvp n PRO 1879Cb 0.46 -1.77 0.35 0.00 -0.02 0.00 0.00 33.50 32.52 2kvp n PRO 1879CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2kvp h GLU 1880N 0.00 0.00 0.00 -0.52 5.08 -1.93 -2.59 114.58 114.61 2kvp h GLU 1880Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kvp h GLU 1880Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2kvp h GLU 1880CO 0.00 0.34 0.00 0.93 -1.00 0.00 0.00 179.01 179.28 2kvp h GLU 1881N 0.00 0.00 -0.05 2.33 4.39 -1.70 -3.28 114.58 116.26 2kvp h GLU 1881Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2kvp h GLU 1881Cb 0.88 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2kvp h GLU 1881CO 0.04 0.00 -0.16 -0.07 -1.16 0.00 0.00 179.01 177.67 2kvp h LEU 1882N 0.00 0.07 0.42 1.33 3.38 -1.59 -2.30 115.31 116.62 2kvp h LEU 1882Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2kvp h LEU 1882Cb 0.71 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2kvp h LEU 1882CO 0.00 0.24 -0.20 1.23 0.09 0.00 0.00 178.44 179.80 2kvp h GLY 1883N 0.60 -0.58 2.00 0.83 0.00 -1.74 0.23 103.07 104.40 2kvp h GLY 1883Ca 0.02 0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 2kvp h GLY 1883CO 0.02 -0.21 -0.09 -2.55 0.00 0.00 0.00 176.54 173.71 2kvp h PRO 1884N -0.92 0.00 -0.06 4.80 0.11 -1.77 0.22 132.00 134.38 2kvp h PRO 1884Ca -0.06 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.87 2kvp h PRO 1884Cb 0.56 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.68 2kvp h PRO 1884CO 0.09 0.09 -0.69 -0.07 -0.21 0.00 0.00 178.00 177.21 2kvp h LEU 1885N 0.00 0.72 -1.09 2.35 3.38 -1.34 0.02 115.31 119.34 2kvp h LEU 1885Ca -0.00 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.28 2kvp h LEU 1885Cb 0.18 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2kvp h LEU 1885CO 0.01 1.30 0.56 0.00 0.09 0.00 0.00 178.44 180.41 2kvp h ALA 1886N 0.43 1.33 -0.34 1.53 0.00 0.02 0.51 119.26 122.75 2kvp h ALA 1886Ca -0.07 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2kvp h ALA 1886Cb 1.35 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2kvp h ALA 1886CO 0.14 0.60 0.12 -0.91 0.00 0.00 0.00 179.25 179.20 2kvp h ASN 1887N 1.20 0.14 -0.14 0.00 -0.26 -0.43 -1.26 115.58 114.83 2kvp h ASN 1887Ca 0.32 0.04 -0.14 0.00 -0.56 0.00 0.00 56.30 55.96 2kvp h ASN 1887Cb -0.10 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.18 2kvp h ASN 1887CO -0.07 0.12 -0.46 -0.61 -1.06 0.00 0.00 177.43 175.35 2kvp h GLN 1888N 0.27 0.56 -0.91 0.81 4.15 -0.09 -1.68 115.11 118.23 2kvp h GLN 1888Ca 0.15 -0.41 0.06 0.00 0.77 0.00 0.00 58.65 59.22 2kvp h GLN 1888Cb 0.12 0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.83 2kvp h GLN 1888CO -0.16 1.04 0.59 1.25 -1.93 0.00 0.00 178.83 179.62 2kvp h LEU 1889N 0.19 0.93 -0.22 -2.39 5.85 0.04 0.41 115.31 120.12 2kvp h LEU 1889Ca -0.02 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2kvp h LEU 1889Cb 1.08 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2kvp h LEU 1889CO 0.10 0.61 0.05 0.74 -0.34 0.00 0.00 178.44 179.60 2kvp h THR 1890N 1.06 1.21 -0.14 1.05 2.02 -1.06 -1.03 112.91 116.02 2kvp h THR 1890Ca 0.38 -0.67 -0.11 0.00 0.77 0.00 0.00 66.41 66.78 2kvp h THR 1890Cb 0.14 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2kvp h THR 1890CO -0.14 0.21 -0.34 0.77 0.37 0.00 0.00 175.52 176.40 2kvp h SER 1891N 0.18 0.54 -0.64 4.18 4.64 -0.58 -2.03 113.55 119.85 2kvp h SER 1891Ca 0.07 -0.57 0.02 0.00 -0.47 0.00 0.00 61.79 60.84 2kvp h SER 1891Cb 0.27 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.17 2kvp h SER 1891CO 0.00 1.02 0.40 0.44 -0.87 0.00 0.00 176.83 177.82 2kvp h ASP 1892N 0.10 0.67 -0.87 4.97 3.32 -0.26 -2.11 116.42 122.24 2kvp h ASP 1892Ca -0.00 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2kvp h ASP 1892Cb 0.94 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.30 2kvp h ASP 1892CO 0.07 0.47 0.57 0.22 -1.72 0.00 0.00 179.24 178.86 2kvp h TYR 1893N 0.80 1.09 -0.70 4.55 3.20 -1.12 -1.96 116.97 122.83 2kvp h TYR 1893Ca 0.25 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.21 2kvp h TYR 1893Cb -0.01 -0.37 -0.04 0.00 1.54 0.00 0.00 36.73 37.85 2kvp h TYR 1893CO -0.04 0.68 0.46 0.78 -1.64 0.00 0.00 178.16 178.39 2kvp h GLY 1894N 1.17 0.90 1.31 1.82 0.00 -0.71 0.13 103.07 107.70 2kvp h GLY 1894Ca 0.32 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 47.24 2kvp h GLY 1894CO -0.08 0.21 -0.31 3.21 0.00 0.00 0.00 176.54 179.57 2kvp h ARG 1895N 0.71 0.77 -0.07 4.80 3.08 -0.94 -0.60 114.38 122.13 2kvp h ARG 1895Ca 0.30 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2kvp h ARG 1895Cb 0.27 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 2kvp h ARG 1895CO -0.10 0.98 0.00 -0.07 -1.07 0.00 0.00 179.97 179.71 2kvp h LEU 1896N 0.65 0.13 -1.55 3.04 3.38 -0.93 -2.60 115.31 117.43 2kvp h LEU 1896Ca 0.07 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2kvp h LEU 1896Cb 0.84 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2kvp h LEU 1896CO 0.07 0.40 -0.21 0.00 0.09 0.00 0.00 178.44 178.79 2kvp h ALA 1897N 0.73 1.24 0.22 1.53 0.00 -0.63 0.10 119.26 122.45 2kvp h ALA 1897Ca 0.02 -0.19 -0.32 0.00 0.00 0.00 0.00 54.91 54.42 2kvp h ALA 1897Cb 0.33 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.12 2kvp h ALA 1897CO 0.00 0.27 -1.49 0.66 0.00 0.00 0.00 179.25 178.69 2kvp h SER 1898N 0.00 0.71 1.27 0.00 4.64 -1.13 -3.35 113.55 115.70 2kvp h SER 1898Ca -0.00 -0.93 -0.09 0.00 -0.47 0.00 0.00 61.79 60.30 2kvp h SER 1898Cb 0.52 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2kvp h SER 1898CO 0.03 1.70 -0.42 1.56 -0.87 0.00 0.00 176.83 178.83 2kvp h GLN 1899N 0.05 0.00 0.00 4.77 4.20 -1.21 -3.20 115.11 119.72 2kvp h GLN 1899Ca -0.28 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.38 2kvp h GLN 1899Cb 2.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.84 2kvp h GLN 1899CO 0.22 0.42 -0.27 0.00 -0.67 0.00 0.00 178.83 178.53 2kvp h ALA 1900N 1.58 1.41 0.78 3.87 0.00 -1.10 -2.02 119.26 123.78 2kvp h ALA 1900Ca -0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2kvp h ALA 1900Cb 1.17 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.92 2kvp h ALA 1900CO 0.05 0.34 -0.38 0.87 0.00 0.00 0.00 179.25 180.14 2kvp h LYS 1901N 0.00 -1.01 0.00 0.00 1.57 -1.68 -1.89 116.57 113.56 2kvp h LYS 1901Ca -0.00 0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 2kvp h LYS 1901Cb 0.53 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2kvp h LYS 1901CO 0.04 -0.66 -0.40 -1.35 -0.57 0.00 0.00 179.45 176.50 2kvp h PRO 1902N -1.20 0.00 -0.99 3.15 0.11 -1.73 -2.82 132.00 128.52 2kvp h PRO 1902Ca -0.11 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.03 2kvp h PRO 1902Cb 0.82 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.87 2kvp h PRO 1902CO 0.18 0.40 0.65 0.00 -0.21 0.00 0.00 178.00 179.02 2kvp h ALA 1903N 1.60 1.30 -0.27 -0.75 0.00 -1.31 -1.24 119.26 118.58 2kvp h ALA 1903Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kvp h ALA 1903Cb 0.79 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2kvp h ALA 1903CO 0.05 0.55 0.16 0.00 0.00 0.00 0.00 179.25 180.02 2kvp h ALA 1904N 1.40 0.34 0.00 0.00 0.00 -1.07 -1.36 119.26 118.56 2kvp h ALA 1904Ca 0.39 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 2kvp h ALA 1904Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2kvp h ALA 1904CO -0.12 -0.16 -0.49 -0.24 0.00 0.00 0.00 179.25 178.24 2kvp h VAL 1905N 0.34 0.99 0.00 0.00 3.04 -1.52 -2.82 116.25 116.27 2kvp h VAL 1905Ca 0.10 -1.95 0.00 0.00 -1.01 0.00 0.00 66.70 63.83 2kvp h VAL 1905Cb 0.00 2.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 2kvp h VAL 1905CO -0.02 0.48 -0.00 0.00 -1.01 0.00 0.00 177.57 177.02 2kvp h ALA 1906N 1.51 1.00 -2.70 3.17 0.00 -1.00 -3.46 119.26 117.78 2kvp h ALA 1906Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 2kvp h ALA 1906Cb 1.14 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.99 2kvp h ALA 1906CO 0.06 0.00 0.49 0.00 0.00 0.00 0.00 179.25 179.80 2kvp s ALA 1907N -3.14 3.01 0.04 0.00 0.00 -0.53 -4.47 121.76 116.67 2kvp s ALA 1907Ca 0.09 0.94 -0.27 0.00 0.00 0.00 0.00 51.96 52.73 2kvp s ALA 1907Cb 0.10 -3.38 -0.15 0.00 0.00 0.00 0.00 23.12 19.69 2kvp s ALA 1907CO 0.62 -0.64 1.40 0.93 0.00 0.00 0.00 175.76 178.08 2kvp h GLU 1908N 2.15 -0.91 -6.67 0.00 4.39 -1.89 -3.43 114.58 108.23 2kvp h GLU 1908Ca -0.49 0.06 -0.50 0.00 0.34 0.00 0.00 59.36 58.77 2kvp h GLU 1908Cb 1.24 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 30.08 2kvp h GLU 1908CO 0.61 -0.61 0.30 -0.80 -1.16 0.00 0.00 179.01 177.34 2kvp s ASN 1909N -3.44 7.56 0.27 1.42 -0.87 -1.26 -4.94 114.94 113.68 2kvp s ASN 1909Ca -0.14 1.85 -0.01 0.00 -1.57 0.00 0.00 52.86 52.98 2kvp s ASN 1909Cb 0.02 -2.57 0.38 0.00 -0.02 0.00 0.00 41.25 39.05 2kvp s ASN 1909CO 0.43 0.16 1.80 -0.08 -2.57 0.00 0.00 177.10 176.83 2kvp h GLU 1910N 4.29 0.80 -0.85 -0.60 4.22 -1.91 -2.31 114.58 118.21 2kvp h GLU 1910Ca -0.45 -0.19 0.01 0.00 0.08 0.00 0.00 59.36 58.81 2kvp h GLU 1910Cb 1.20 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 2kvp h GLU 1910CO 0.68 0.76 0.56 0.93 -2.18 0.00 0.00 179.01 179.76 2kvp h GLU 1911N 0.76 1.10 -0.42 1.92 3.07 -1.96 0.21 114.58 119.25 2kvp h GLU 1911Ca 0.16 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 58.88 2kvp h GLU 1911Cb 0.37 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 2kvp h GLU 1911CO 0.01 0.73 -0.02 0.82 -1.40 0.00 0.00 179.01 179.15 2kvp h ILE 1912N 1.14 1.26 -0.42 3.13 1.08 -1.82 0.48 117.51 122.37 2kvp h ILE 1912Ca 0.32 -1.07 -0.03 0.00 -0.39 0.00 0.00 64.86 63.69 2kvp h ILE 1912Cb -0.10 1.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 2kvp h ILE 1912CO -0.07 0.36 0.15 1.23 -0.69 0.00 0.00 178.15 179.12 2kvp h GLY 1913N 0.59 0.69 1.51 5.37 0.00 -0.91 -0.70 103.07 109.62 2kvp h GLY 1913Ca 0.12 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 2kvp h GLY 1913CO 0.03 0.37 0.12 0.00 0.00 0.00 0.00 176.54 177.06 2kvp h ALA 1914N 0.99 1.41 -0.05 3.60 0.00 -0.42 -2.40 119.26 122.38 2kvp h ALA 1914Ca 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2kvp h ALA 1914Cb 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kvp h ALA 1914CO -0.01 0.43 0.01 1.25 0.00 0.00 0.00 179.25 180.94 2kvp h HIS 1915N 0.62 0.09 0.30 0.00 6.17 0.44 -1.70 115.15 121.07 2kvp h HIS 1915Ca 0.14 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.21 2kvp h HIS 1915Cb 0.21 -0.03 -0.01 0.00 2.52 0.00 0.00 27.41 30.10 2kvp h HIS 1915CO 0.01 0.31 -0.22 0.82 0.71 0.00 0.00 177.93 179.56 2kvp h ILE 1916N -0.15 0.54 -0.68 6.26 2.04 -0.96 -1.17 117.51 123.38 2kvp h ILE 1916Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2kvp h ILE 1916Cb 0.26 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 2kvp h ILE 1916CO 0.00 0.00 0.38 0.07 0.00 0.00 0.00 178.15 178.60 2kvp h LYS 1917N -0.52 0.93 0.00 2.37 2.10 -1.46 -2.14 116.57 117.86 2kvp h LYS 1917Ca -0.02 -0.09 -0.10 0.00 -2.00 0.00 0.00 60.65 58.43 2kvp h LYS 1917Cb 0.45 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 2kvp h LYS 1917CO 0.01 0.68 -0.48 0.45 -2.00 0.00 0.00 179.45 178.11 2kvp h HIS 1918N 0.94 0.00 -0.02 0.07 3.86 -1.10 -2.86 115.15 116.04 2kvp h HIS 1918Ca 0.24 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.26 2kvp h HIS 1918Cb 0.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 2kvp h HIS 1918CO 0.01 0.48 -0.84 0.00 0.86 0.00 0.00 177.93 178.43 2kvp h ARG 1919N 0.00 0.27 0.00 2.45 2.47 -0.58 -2.89 114.38 116.10 2kvp h ARG 1919Ca -0.00 -0.27 -0.03 0.00 -1.26 0.00 0.00 59.98 58.42 2kvp h ARG 1919Cb 1.15 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.53 2kvp h ARG 1919CO 0.06 0.96 -0.14 0.28 0.56 0.00 0.00 179.97 181.70 2kvp h VAL 1920N 0.16 0.36 -0.96 2.04 2.07 -1.36 -1.87 116.25 116.68 2kvp h VAL 1920Ca -0.04 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.62 2kvp h VAL 1920Cb 1.45 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 32.82 2kvp h VAL 1920CO 0.13 0.13 0.62 1.56 0.02 0.00 0.00 177.57 180.04 2kvp h GLN 1921N 0.00 1.28 -0.36 1.57 1.08 -1.29 0.33 115.11 117.73 2kvp h GLN 1921Ca -0.00 -0.09 0.02 0.00 -1.45 0.00 0.00 58.65 57.13 2kvp h GLN 1921Cb 0.63 -0.28 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 2kvp h GLN 1921CO 0.02 0.87 0.19 0.93 -0.95 0.00 0.00 178.83 179.88 2kvp h GLU 1922N 1.31 0.38 -0.65 1.46 4.39 -1.32 -1.14 114.58 119.02 2kvp h GLU 1922Ca 0.35 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.98 2kvp h GLU 1922Cb -0.12 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.42 2kvp h GLU 1922CO -0.07 0.25 0.22 -0.07 -1.16 0.00 0.00 179.01 178.18 2kvp h LEU 1923N 0.39 0.90 -0.07 1.33 3.38 -1.26 -0.41 115.31 119.58 2kvp h LEU 1923Ca 0.15 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2kvp h LEU 1923Cb 0.04 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 2kvp h LEU 1923CO -0.09 0.83 -0.23 1.23 0.09 0.00 0.00 178.44 180.27 2kvp h GLY 1924N 1.04 -0.28 0.94 0.83 0.00 0.61 0.77 103.07 106.99 2kvp h GLY 1924Ca 0.22 0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.77 2kvp h GLY 1924CO -0.01 -0.19 0.04 0.45 0.00 0.00 0.00 176.54 176.82 2kvp h HIS 1925N -0.32 0.74 0.19 5.60 3.86 -1.04 -1.84 115.15 122.34 2kvp h HIS 1925Ca 0.08 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2kvp h HIS 1925Cb 0.44 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.71 2kvp h HIS 1925CO -0.30 0.74 -0.09 0.78 0.86 0.00 0.00 177.93 179.91 2kvp h GLY 1926N 0.53 -0.27 0.99 2.45 0.00 -0.75 -2.39 103.07 103.63 2kvp h GLY 1926Ca 0.12 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 2kvp h GLY 1926CO 0.01 -0.10 0.33 0.00 0.00 0.00 0.00 176.54 176.79 2kvp h SER 1928N 0.81 0.12 -0.35 0.00 0.02 -1.36 -0.86 113.55 111.94 2kvp h SER 1928Ca 0.21 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.15 2kvp h SER 1928Cb 0.04 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2kvp h SER 1928CO -0.03 0.11 0.02 0.00 -1.14 0.00 0.00 176.83 175.79 2kvp h ALA 1929N 1.28 1.22 0.22 3.77 0.00 -0.93 -0.12 119.26 124.69 2kvp h ALA 1929Ca 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2kvp h ALA 1929Cb 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kvp h ALA 1929CO -0.21 0.52 -0.10 1.25 0.00 0.00 0.00 179.25 180.70 2kvp h LEU 1930N 0.66 -0.25 -1.09 0.00 6.46 -0.67 -2.62 115.31 117.82 2kvp h LEU 1930Ca 0.14 -0.25 -0.06 0.00 -0.12 0.00 0.00 57.88 57.59 2kvp h LEU 1930Cb 0.38 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 2kvp h LEU 1930CO 0.01 0.15 0.03 -0.37 -0.62 0.00 0.00 178.44 177.64 2kvp h VAL 1931N -0.68 1.22 -0.53 1.05 -1.51 -1.07 -1.72 116.25 113.00 2kvp h VAL 1931Ca -0.03 -0.86 0.04 0.00 -1.23 0.00 0.00 66.70 64.62 2kvp h VAL 1931Cb 0.48 0.85 -0.04 0.00 -2.13 0.00 0.00 31.29 30.45 2kvp h VAL 1931CO 0.05 0.30 0.29 0.74 -1.23 0.00 0.00 177.57 177.72 2kvp h THR 1932N 0.65 0.99 -0.58 7.19 2.02 -1.02 -1.56 112.91 120.59 2kvp h THR 1932Ca 0.14 -0.19 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 2kvp h THR 1932Cb 0.36 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 2kvp h THR 1932CO 0.01 0.10 0.05 0.11 0.37 0.00 0.00 175.52 176.16 2kvp h LYS 1933N 0.56 1.00 -0.42 6.66 6.56 -1.02 -2.90 116.57 127.01 2kvp h LYS 1933Ca 0.23 -0.29 -0.03 0.00 -1.06 0.00 0.00 60.65 59.49 2kvp h LYS 1933Cb 0.10 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 2kvp h LYS 1933CO -0.14 0.97 0.12 0.00 -2.06 0.00 0.00 179.45 178.34 2kvp h ALA 1934N 0.99 1.42 -0.65 3.86 0.00 -0.87 0.31 119.26 124.32 2kvp h ALA 1934Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kvp h ALA 1934Cb 0.49 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2kvp h ALA 1934CO 0.02 0.42 0.41 0.78 0.00 0.00 0.00 179.25 180.89 2kvp h GLY 1935N 0.81 0.93 2.00 0.00 0.00 -1.09 -1.40 103.07 104.32 2kvp h GLY 1935Ca 0.14 -0.37 -0.17 0.00 0.00 0.00 0.00 47.33 46.94 2kvp h GLY 1935CO -0.01 0.36 -0.79 0.00 0.00 0.00 0.00 176.54 176.10 2kvp h ALA 1936N 1.22 0.64 0.00 3.60 0.00 -1.28 -3.13 119.26 120.31 2kvp h ALA 1936Ca 0.24 -0.72 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 2kvp h ALA 1936Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2kvp h ALA 1936CO -0.05 0.99 -0.51 1.25 0.00 0.00 0.00 179.25 180.94 2kvp h LEU 1937N 0.00 0.00 -0.30 0.00 7.12 -0.03 -0.27 115.31 121.83 2kvp h LEU 1937Ca -0.01 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 57.88 2kvp h LEU 1937Cb 1.44 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.55 2kvp h LEU 1937CO 0.10 0.51 -0.58 1.56 -0.13 0.00 0.00 178.44 179.90 2kvp h GLN 1938N 0.00 0.00 0.00 1.25 4.20 -1.27 0.26 115.11 119.55 2kvp h GLN 1938Ca -0.01 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 2kvp h GLN 1938Cb 0.98 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 2kvp h GLN 1938CO 0.07 0.58 -0.55 0.00 -0.67 0.00 0.00 178.83 178.26 2kvp n SER 1940N -3.55 -0.28 0.00 0.00 7.64 -0.18 -4.95 113.62 112.29 2kvp n SER 1940Ca -0.00 -2.71 0.06 0.00 1.01 0.00 0.00 58.87 57.22 2kvp n SER 1940Cb 0.63 -0.34 0.27 0.00 -1.01 0.00 0.00 64.21 63.75 2kvp n SER 1940CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2kvp n PRO 1941N 1.65 0.05 0.06 1.43 -0.04 0.91 -1.54 135.00 137.51 2kvp n PRO 1941Ca 0.21 0.26 0.12 0.00 -0.04 0.00 0.00 63.50 64.05 2kvp n PRO 1941Cb 0.53 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.61 2kvp n PRO 1941CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2kvp h SER 1942N 0.00 0.00 -3.18 3.54 4.64 -1.93 -3.46 113.55 113.15 2kvp h SER 1942Ca 0.00 -0.21 -0.57 0.00 -0.47 0.00 0.00 61.79 60.54 2kvp h SER 1942Cb 0.18 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.21 2kvp h SER 1942CO 0.00 0.10 0.84 -0.62 -0.87 0.00 0.00 176.83 176.28 2kvp s ASP 1943N -4.37 6.98 0.15 4.97 2.15 -0.59 -4.90 116.67 121.05 2kvp s ASP 1943Ca 0.05 1.23 -0.02 0.00 0.43 0.00 0.00 52.55 54.24 2kvp s ASP 1943Cb 0.13 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.17 2kvp s ASP 1943CO 0.75 -0.81 1.36 0.58 -0.17 0.00 0.00 175.17 176.88 2kvp h VAL 1944N 5.62 1.42 -0.10 1.11 2.07 -1.89 -2.91 116.25 121.57 2kvp h VAL 1944Ca -0.21 -2.40 -0.00 0.00 0.82 0.00 0.00 66.70 64.91 2kvp h VAL 1944Cb 1.07 2.35 -0.00 0.00 -1.52 0.00 0.00 31.29 33.18 2kvp h VAL 1944CO 1.01 0.71 0.05 0.22 0.02 0.00 0.00 177.57 179.59 2kvp h TYR 1945N 0.21 0.14 -0.52 1.57 3.20 -1.98 0.23 116.97 119.83 2kvp h TYR 1945Ca -0.06 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.73 2kvp h TYR 1945Cb 1.49 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.69 2kvp h TYR 1945CO 0.05 0.17 0.02 1.15 -1.64 0.00 0.00 178.16 177.91 2kvp h THR 1946N 0.06 1.25 -0.55 1.81 2.02 -1.94 -0.91 112.91 114.65 2kvp h THR 1946Ca 0.04 -1.02 -0.07 0.00 0.77 0.00 0.00 66.41 66.12 2kvp h THR 1946Cb 0.08 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2kvp h THR 1946CO -0.01 0.36 0.06 0.50 0.37 0.00 0.00 175.52 176.80 2kvp h LYS 1947N 0.80 0.93 -0.43 6.66 3.64 -1.27 0.69 116.57 127.61 2kvp h LYS 1947Ca 0.16 -0.27 0.06 0.00 -1.27 0.00 0.00 60.65 59.33 2kvp h LYS 1947Cb 0.46 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 2kvp h LYS 1947CO 0.02 0.92 0.11 -0.22 -2.27 0.00 0.00 179.45 178.01 2kvp h LYS 1948N 0.82 0.25 -0.85 1.90 3.64 -0.15 0.38 116.57 122.55 2kvp h LYS 1948Ca 0.16 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2kvp h LYS 1948Cb 0.46 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 2kvp h LYS 1948CO 0.02 0.16 0.49 0.93 -2.27 0.00 0.00 179.45 178.78 2kvp h GLU 1949N 0.25 1.17 -0.58 1.90 4.39 -0.73 -1.58 114.58 119.40 2kvp h GLU 1949Ca 0.20 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 2kvp h GLU 1949Cb 0.23 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2kvp h GLU 1949CO -0.25 0.84 0.11 1.25 -1.16 0.00 0.00 179.01 179.80 2kvp h LEU 1950N 1.17 0.91 -0.77 1.33 6.46 -0.15 0.17 115.31 124.44 2kvp h LEU 1950Ca 0.30 -0.25 0.01 0.00 -0.12 0.00 0.00 57.88 57.82 2kvp h LEU 1950Cb -0.01 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 39.64 2kvp h LEU 1950CO -0.05 0.93 0.51 0.40 -0.62 0.00 0.00 178.44 179.60 2kvp h ILE 1951N 0.85 1.20 -0.53 4.05 2.04 -0.58 0.17 117.51 124.71 2kvp h ILE 1951Ca 0.18 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 2kvp h ILE 1951Cb 0.39 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 2kvp h ILE 1951CO 0.01 0.19 0.06 -0.33 0.00 0.00 0.00 178.15 178.08 2kvp h GLU 1952N 1.05 0.90 -0.71 2.37 4.39 -0.92 -1.30 114.58 120.36 2kvp h GLU 1952Ca 0.28 -0.25 0.07 0.00 0.34 0.00 0.00 59.36 59.80 2kvp h GLU 1952Cb -0.12 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.37 2kvp h GLU 1952CO -0.06 0.89 0.39 0.00 -1.16 0.00 0.00 179.01 179.07 2kvp h ALA 1954N 1.38 1.19 -0.01 0.00 0.00 -0.22 -2.55 119.26 119.05 2kvp h ALA 1954Ca 0.33 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2kvp h ALA 1954Cb 0.24 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2kvp h ALA 1954CO -0.20 0.64 -0.05 0.00 0.00 0.00 0.00 179.25 179.63 2kvp h ARG 1955N 1.17 -0.08 -0.96 0.00 2.47 -0.44 -2.10 114.38 114.44 2kvp h ARG 1955Ca 0.29 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 59.06 2kvp h ARG 1955Cb 0.07 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.35 2kvp h ARG 1955CO -0.04 -0.05 0.63 0.00 0.56 0.00 0.00 179.97 181.06 2kvp h ARG 1956N -0.08 1.14 0.39 0.04 3.08 -1.16 -0.26 114.38 117.52 2kvp h ARG 1956Ca 0.02 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2kvp h ARG 1956Cb 0.11 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2kvp h ARG 1956CO -0.06 0.76 -0.19 0.28 -1.07 0.00 0.00 179.97 179.69 2kvp h VAL 1957N 1.18 0.62 -0.49 2.04 2.07 -1.14 -1.86 116.25 118.67 2kvp h VAL 1957Ca 0.39 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2kvp h VAL 1957Cb 0.07 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2kvp h VAL 1957CO -0.13 0.05 0.31 -1.28 0.02 0.00 0.00 177.57 176.54 2kvp h SER 1958N -0.68 0.57 -0.97 0.57 0.87 -1.04 -0.13 113.55 112.75 2kvp h SER 1958Ca -0.05 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2kvp h SER 1958Cb 0.49 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.25 2kvp h SER 1958CO 0.09 0.43 0.61 -0.33 -0.53 0.00 0.00 176.83 177.10 2kvp h GLU 1959N 0.67 1.29 0.00 2.24 4.39 -0.88 -2.87 114.58 119.42 2kvp h GLU 1959Ca 0.18 -0.10 -0.16 0.00 0.34 0.00 0.00 59.36 59.62 2kvp h GLU 1959Cb -0.05 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.29 2kvp h GLU 1959CO -0.04 0.88 -0.83 0.87 -1.16 0.00 0.00 179.01 178.74 2kvp h LYS 1960N 1.32 0.00 -0.44 2.33 1.79 -0.26 -3.27 116.57 118.05 2kvp h LYS 1960Ca 0.35 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.90 2kvp h LYS 1960Cb -0.11 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.48 2kvp h LYS 1960CO -0.07 0.67 0.05 0.28 -1.08 0.00 0.00 179.45 179.30 2kvp h VAL 1961N 0.00 0.72 -0.79 0.50 2.07 -0.87 0.13 116.25 118.01 2kvp h VAL 1961Ca -0.03 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.48 2kvp h VAL 1961Cb 1.58 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 2kvp h VAL 1961CO 0.09 0.03 0.52 0.28 0.02 0.00 0.00 177.57 178.51 2kvp h SER 1962N 0.17 0.80 -0.30 0.57 0.02 -1.59 0.98 113.55 114.19 2kvp h SER 1962Ca 0.22 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.04 2kvp h SER 1962Cb 0.30 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 2kvp h SER 1962CO -0.32 0.53 -0.31 0.45 -1.14 0.00 0.00 176.83 176.04 2kvp h HIS 1963N 0.92 0.89 -0.25 3.45 -0.00 -1.24 -1.34 115.15 117.57 2kvp h HIS 1963Ca 0.32 -0.27 -0.02 0.00 -0.00 0.00 0.00 60.37 60.41 2kvp h HIS 1963Cb 0.13 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 2kvp h HIS 1963CO -0.00 1.03 0.09 0.28 -0.00 0.00 0.00 177.93 179.34 2kvp h VAL 1964N 0.50 1.18 -0.24 2.45 2.07 -0.02 -2.38 116.25 119.82 2kvp h VAL 1964Ca 0.05 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.03 2kvp h VAL 1964Cb 0.89 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 2kvp h VAL 1964CO 0.08 0.19 0.06 -0.07 0.02 0.00 0.00 177.57 177.84 2kvp h LEU 1965N 0.25 0.04 -2.48 2.57 3.38 -0.83 -2.19 115.31 116.05 2kvp h LEU 1965Ca 0.08 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2kvp h LEU 1965Cb 0.20 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2kvp h LEU 1965CO -0.01 0.05 -0.01 0.00 0.09 0.00 0.00 178.44 178.57 2kvp h ALA 1966N 1.17 1.47 0.00 1.53 0.00 -1.08 -0.49 119.26 121.86 2kvp h ALA 1966Ca 0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2kvp h ALA 1966Cb 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2kvp h ALA 1966CO -0.13 0.01 -0.23 0.00 0.00 0.00 0.00 179.25 178.90 2kvp h ALA 1967N 1.99 1.29 0.03 0.00 0.00 -0.86 -2.22 119.26 119.49 2kvp h ALA 1967Ca -0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2kvp h ALA 1967Cb 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kvp h ALA 1967CO 0.00 0.29 -0.25 -0.07 0.00 0.00 0.00 179.25 179.22 2kvp h LEU 1968N 0.00 0.17 -0.91 0.00 -0.00 -1.13 -3.28 115.31 110.16 2kvp h LEU 1968Ca -0.00 -0.89 0.00 0.00 -0.00 0.00 0.00 57.88 56.99 2kvp h LEU 1968Cb 0.52 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2kvp h LEU 1968CO 0.03 1.05 0.00 1.56 -0.00 0.00 0.00 178.44 181.08 2kvp h GLN 1969N -0.68 0.00 0.00 1.13 7.50 -1.53 -1.25 115.11 120.28 2kvp h GLN 1969Ca -0.04 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.11 2kvp h GLN 1969Cb 1.11 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.64 2kvp h GLN 1969CO 0.05 0.00 0.00 0.00 -1.50 0.00 0.00 178.83 177.38 2kvp h ALA 1970N 2.20 1.00 -0.41 3.87 0.00 -1.46 -3.33 119.26 121.13 2kvp h ALA 1970Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 2kvp h ALA 1970Cb 0.38 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.03 2kvp h ALA 1970CO 0.00 0.00 0.23 0.41 0.00 0.00 0.00 179.25 179.89 2kvp n GLY 1971N 0.67 4.01 3.87 0.00 0.00 -0.47 -4.93 105.19 108.34 2kvp n GLY 1971Ca 0.03 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 2kvp n GLY 1971CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kvp s ASN 1972N 0.70 6.25 0.00 1.61 0.02 -1.25 -4.91 114.94 117.35 2kvp s ASN 1972Ca 0.56 1.36 0.18 0.00 -1.02 0.00 0.00 52.86 53.93 2kvp s ASN 1972Cb 0.35 -2.44 0.14 0.00 0.02 0.00 0.00 41.25 39.32 2kvp s ASN 1972CO -0.15 -0.82 1.06 -2.11 0.02 0.00 0.00 177.10 175.11