#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e9p s PHE 1834N 0.00 3.55 -0.19 6.00 0.08 -1.26 -4.08 117.98 122.07 3e9p s PHE 1834Ca 0.00 1.00 -0.25 0.00 0.12 0.00 0.00 56.93 57.80 3e9p s PHE 1834Cb 0.00 -2.61 -0.01 0.00 -0.57 0.00 0.00 43.02 39.83 3e9p s PHE 1834CO 0.00 0.17 0.85 -1.17 -0.10 0.00 0.00 175.22 174.97 3e9p s LEU 1835N 0.56 4.15 0.30 -0.37 2.96 -0.82 -4.92 118.68 120.54 3e9p s LEU 1835Ca 0.29 1.15 0.03 0.00 -0.22 0.00 0.00 54.13 55.38 3e9p s LEU 1835Cb -0.16 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 3e9p s LEU 1835CO 0.13 -0.45 0.15 0.54 -1.32 0.00 0.00 176.35 175.40 3e9p s ASN 1836N 1.21 1.49 0.00 3.68 2.20 -1.26 -0.13 114.94 122.13 3e9p s ASN 1836Ca 0.38 -1.53 0.01 0.00 -0.94 0.00 0.00 52.86 50.78 3e9p s ASN 1836Cb -0.16 0.35 0.05 0.00 -2.00 0.00 0.00 41.25 39.49 3e9p s ASN 1836CO 0.11 -0.86 0.82 -1.54 -2.94 0.00 0.00 177.10 172.69 3e9p n SER 1837N -0.85 0.00 -0.08 3.54 3.41 -1.26 -2.44 113.62 115.94 3e9p n SER 1837Ca 0.01 0.27 -0.11 0.00 -0.26 0.00 0.00 58.87 58.77 3e9p n SER 1837Cb 0.65 -0.28 -0.15 0.00 -0.26 0.00 0.00 64.21 64.17 3e9p n SER 1837CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3e9p n SER 1838N -1.28 0.65 -0.43 4.04 3.41 -1.26 -4.46 113.62 114.29 3e9p n SER 1838Ca 0.00 0.11 0.08 0.00 -0.26 0.00 0.00 58.87 58.80 3e9p n SER 1838Cb 0.01 0.40 0.18 0.00 -0.26 0.00 0.00 64.21 64.54 3e9p n SER 1838CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3e9p n ASN 1839N -2.95 2.64 -0.21 4.04 0.23 -1.03 -4.80 115.26 113.18 3e9p n ASN 1839Ca -0.30 -3.25 -0.07 0.00 -0.53 0.00 0.00 54.58 50.43 3e9p n ASN 1839Cb 1.10 -0.49 0.07 0.00 -2.08 0.00 0.00 39.78 38.38 3e9p n ASN 1839CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 3e9p h TYR 1840N 0.65 1.11 0.00 -2.53 3.20 -1.70 -3.14 116.97 114.57 3e9p h TYR 1840Ca 0.02 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.73 3e9p h TYR 1840Cb 1.16 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.13 3e9p h TYR 1840CO 0.31 0.96 0.00 0.00 -1.64 0.00 0.00 178.16 177.79 3e9p h ALA 1841N 1.09 1.00 0.00 1.82 0.00 -1.88 -2.72 119.26 118.57 3e9p h ALA 1841Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3e9p h ALA 1841Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3e9p h ALA 1841CO 0.02 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.42 3e9p n GLU 1842N -2.80 0.09 0.09 0.00 0.28 -1.19 -1.95 120.64 115.16 3e9p n GLU 1842Ca -0.01 0.35 0.07 0.00 -0.16 0.00 0.00 57.16 57.41 3e9p n GLU 1842Cb 0.16 -1.68 0.34 0.00 1.43 0.00 0.00 31.44 31.69 3e9p n GLU 1842CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3e9p n LEU 1843N -1.85 0.33 -0.46 -1.84 4.77 -1.03 -2.64 117.00 114.29 3e9p n LEU 1843Ca 0.03 0.64 0.04 0.00 -0.03 0.00 0.00 56.01 56.68 3e9p n LEU 1843Cb 0.19 -0.66 0.11 0.00 -2.33 0.00 0.00 43.42 40.73 3e9p n LEU 1843CO 0.16 -0.69 0.59 0.49 -1.33 0.00 0.00 177.39 176.61 3e9p n PHE 1844N -1.92 0.33 -0.77 -1.77 3.72 -0.82 -4.00 117.46 112.24 3e9p n PHE 1844Ca -0.00 -0.51 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 3e9p n PHE 1844Cb 0.05 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 3e9p n PHE 1844CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3e9p n ASN 1845N 0.20 0.00 -0.34 4.37 0.23 -1.08 -4.99 115.26 113.65 3e9p n ASN 1845Ca 0.08 -0.52 0.12 0.00 -0.53 0.00 0.00 54.58 53.73 3e9p n ASN 1845Cb 0.38 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.27 3e9p n ASN 1845CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3e9p n ASN 1846N -1.56 1.45 -4.68 0.53 3.02 -1.26 -4.82 115.26 107.94 3e9p n ASN 1846Ca 0.00 -1.15 -0.42 0.00 -0.03 0.00 0.00 54.58 52.98 3e9p n ASN 1846Cb 0.00 0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 3e9p n ASN 1846CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3e9p s ASP 1847N -2.53 6.88 0.13 6.41 1.01 -1.26 -4.98 116.67 122.33 3e9p s ASP 1847Ca 0.21 2.00 -0.31 0.00 0.71 0.00 0.00 52.55 55.15 3e9p s ASP 1847Cb 0.19 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.48 3e9p s ASP 1847CO 0.56 -0.74 1.41 -0.63 0.21 0.00 0.00 175.17 175.99 3e9p s ILE 1848N 2.83 3.19 0.07 0.77 1.01 -1.26 -4.90 121.20 122.91 3e9p s ILE 1848Ca 0.62 0.86 0.04 0.00 0.00 0.00 0.00 60.65 62.17 3e9p s ILE 1848Cb -0.29 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 3e9p s ILE 1848CO 0.24 0.07 -0.12 -0.54 0.00 0.00 0.00 174.94 174.59 3e9p s LYS 1849N 1.03 0.74 -0.03 2.79 1.02 -1.26 -0.22 119.74 123.81 3e9p s LYS 1849Ca 0.65 -0.94 0.03 0.00 0.02 0.00 0.00 55.97 55.72 3e9p s LYS 1849Cb -0.38 -0.62 0.00 0.00 -0.52 0.00 0.00 37.83 36.32 3e9p s LYS 1849CO 0.31 0.12 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.26 3e9p s LEU 1850N -1.84 1.81 0.20 3.17 1.43 -0.65 -4.26 118.68 118.54 3e9p s LEU 1850Ca -0.03 -0.20 -0.23 0.00 -1.03 0.00 0.00 54.13 52.64 3e9p s LEU 1850Cb -0.09 -0.59 -0.08 0.00 0.03 0.00 0.00 46.19 45.47 3e9p s LEU 1850CO 0.01 0.08 0.76 -0.36 0.23 0.00 0.00 176.35 177.06 3e9p s PHE 1851N 0.16 3.78 -0.15 0.29 0.08 0.95 0.07 117.98 123.15 3e9p s PHE 1851Ca -0.03 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.55 3e9p s PHE 1851Cb -0.09 -2.70 0.02 0.00 -0.57 0.00 0.00 43.02 39.69 3e9p s PHE 1851CO 0.01 0.42 -0.14 0.08 -0.10 0.00 0.00 175.22 175.49 3e9p s VAL 1852N -1.34 1.60 -0.12 -0.44 1.01 0.51 -1.39 120.40 120.23 3e9p s VAL 1852Ca 0.39 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.73 3e9p s VAL 1852Cb -0.20 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.67 3e9p s VAL 1852CO 0.23 0.45 -0.21 -0.62 0.00 0.00 0.00 175.10 174.95 3e9p s ASP 1853N 1.47 3.26 0.00 3.32 2.15 -0.34 -1.31 116.67 125.23 3e9p s ASP 1853Ca 0.05 -0.53 0.13 0.00 0.43 0.00 0.00 52.55 52.62 3e9p s ASP 1853Cb -0.13 -1.46 0.29 0.00 -0.30 0.00 0.00 42.92 41.33 3e9p s ASP 1853CO -0.11 0.14 1.20 -0.90 -0.17 0.00 0.00 175.17 175.33 3e9p n ASP 1854N 3.70 2.83 0.22 -0.34 5.75 -1.26 -2.09 116.55 125.35 3e9p n ASP 1854Ca -0.19 -1.88 0.06 0.00 -0.01 0.00 0.00 54.79 52.77 3e9p n ASP 1854Cb 0.53 -0.20 0.54 0.00 -1.03 0.00 0.00 41.12 40.96 3e9p n ASP 1854CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 3e9p h THR 1855N 2.41 1.08 -0.38 2.12 2.02 -1.96 -2.68 112.91 115.53 3e9p h THR 1855Ca 0.00 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 3e9p h THR 1855Cb 0.71 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3e9p h THR 1855CO 0.00 0.11 0.00 0.59 0.37 0.00 0.00 175.52 176.59 3e9p n ASN 1856N -4.42 4.56 0.09 4.18 3.02 -1.26 -4.65 115.26 116.79 3e9p n ASN 1856Ca -0.02 -3.00 -0.07 0.00 -0.03 0.00 0.00 54.58 51.46 3e9p n ASN 1856Cb 0.17 -0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 38.70 3e9p n ASN 1856CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3e9p h VAL 1857N 2.59 0.22 -3.55 2.41 2.07 -1.33 0.14 116.25 118.81 3e9p h VAL 1857Ca 0.00 -0.86 -0.68 0.00 0.82 0.00 0.00 66.70 65.98 3e9p h VAL 1857Cb 1.65 0.39 -0.18 0.00 -1.52 0.00 0.00 31.29 31.63 3e9p h VAL 1857CO 0.33 0.06 -0.15 -0.47 0.02 0.00 0.00 177.57 177.36 3e9p s TYR 1858N -2.85 3.15 -0.01 1.57 5.04 -1.26 -3.84 117.35 119.15 3e9p s TYR 1858Ca -0.07 -0.29 0.06 0.00 -2.44 0.00 0.00 57.07 54.33 3e9p s TYR 1858Cb 0.00 -2.97 -0.02 0.00 0.35 0.00 0.00 41.96 39.33 3e9p s TYR 1858CO 0.24 -0.72 -0.20 1.03 -1.34 0.00 0.00 175.55 174.56 3e9p s ARG 1859N 2.26 1.59 0.28 4.97 0.52 -1.26 -5.06 118.95 122.24 3e9p s ARG 1859Ca 0.14 -0.74 0.11 0.00 -0.52 0.00 0.00 55.73 54.71 3e9p s ARG 1859Cb -0.16 -1.56 -0.05 0.00 0.52 0.00 0.00 34.95 33.70 3e9p s ARG 1859CO 0.14 0.42 -0.17 0.14 0.02 0.00 0.00 175.30 175.86 3e9p s VAL 1860N -0.51 2.29 0.29 3.52 -7.23 -1.26 -1.30 120.40 116.19 3e9p s VAL 1860Ca 0.08 -2.34 0.12 0.00 -1.81 0.00 0.00 61.98 58.02 3e9p s VAL 1860Cb -0.08 -2.31 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 3e9p s VAL 1860CO -0.00 -0.40 -0.17 0.28 -0.31 0.00 0.00 175.10 174.49 3e9p s THR 1861N -2.62 2.52 -0.21 5.32 -1.32 0.53 -4.84 115.64 115.02 3e9p s THR 1861Ca 0.29 -2.35 -0.04 0.00 -1.21 0.00 0.00 61.69 58.38 3e9p s THR 1861Cb -0.03 -2.38 -0.01 0.00 -1.51 0.00 0.00 72.50 68.57 3e9p s THR 1861CO 0.14 -0.38 -0.03 -0.69 -2.21 0.00 0.00 174.62 171.44 3e9p s VAL 1862N -2.51 3.52 0.17 5.08 1.01 -1.26 -0.66 120.40 125.75 3e9p s VAL 1862Ca 0.30 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.88 3e9p s VAL 1862Cb -0.04 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 3e9p s VAL 1862CO 0.16 0.43 -0.08 -1.38 0.00 0.00 0.00 175.10 174.22 3e9p s HIS 1863N 1.30 1.37 -0.03 5.22 -3.43 0.14 -4.96 115.29 114.91 3e9p s HIS 1863Ca 0.04 -0.79 -0.24 0.00 -0.80 0.00 0.00 55.06 53.27 3e9p s HIS 1863Cb -0.14 -0.72 -0.04 0.00 -1.43 0.00 0.00 32.58 30.24 3e9p s HIS 1863CO -0.01 0.07 0.73 0.15 -2.00 0.00 0.00 174.74 173.69 3e9p s LYS 1864N -3.77 4.45 0.82 -0.38 1.02 -1.26 -0.39 119.74 120.23 3e9p s LYS 1864Ca 0.20 0.96 -0.10 0.00 0.02 0.00 0.00 55.97 57.06 3e9p s LYS 1864Cb 0.03 -3.42 0.13 0.00 -0.52 0.00 0.00 37.83 34.05 3e9p s LYS 1864CO 0.03 0.14 1.15 0.95 -0.92 0.00 0.00 175.35 176.70 3e9p s THR 1865N 0.51 2.11 0.51 2.17 -4.23 -0.03 -4.92 115.64 111.76 3e9p s THR 1865Ca 0.39 -0.19 0.18 0.00 -1.18 0.00 0.00 61.69 60.88 3e9p s THR 1865Cb -0.19 -2.91 0.27 0.00 1.34 0.00 0.00 72.50 71.01 3e9p s THR 1865CO 0.20 0.00 2.13 2.19 -0.54 0.00 0.00 174.62 178.61 3e9p h PHE 1866N -1.04 0.00 -0.00 3.99 -5.15 -1.98 -1.10 116.94 111.66 3e9p h PHE 1866Ca -0.43 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 3e9p h PHE 1866Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.45 3e9p h PHE 1866CO -0.34 0.03 -0.30 -0.85 -2.00 0.00 0.00 178.31 174.86 3e9p n GLU 1867N -4.40 0.05 0.00 6.09 0.28 -1.26 -4.93 120.64 116.47 3e9p n GLU 1867Ca -0.03 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 3e9p n GLU 1867Cb 0.12 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.49 3e9p n GLU 1867CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3e9p n GLY 1868N 1.48 0.52 2.81 -1.84 0.00 -0.41 -5.09 105.19 102.67 3e9p n GLY 1868Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 3e9p n GLY 1868CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3e9p n ASN 1869N 0.00 -1.70 -4.34 1.61 2.85 -1.26 -4.71 115.26 107.71 3e9p n ASN 1869Ca 0.00 -1.06 -0.31 0.00 -0.11 0.00 0.00 54.58 53.10 3e9p n ASN 1869Cb 0.00 -0.80 -0.15 0.00 1.24 0.00 0.00 39.78 40.07 3e9p n ASN 1869CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3e9p s VAL 1870N -2.64 2.17 0.14 3.44 0.11 -1.26 -0.85 120.40 121.49 3e9p s VAL 1870Ca 0.57 -1.21 -0.12 0.00 -2.93 0.00 0.00 61.98 58.28 3e9p s VAL 1870Cb -0.05 -1.80 0.01 0.00 -1.53 0.00 0.00 36.38 33.01 3e9p s VAL 1870CO 0.43 0.48 0.33 0.00 -3.33 0.00 0.00 175.10 173.02 3e9p s ALA 1871N -0.71 -0.51 0.37 1.54 0.00 0.47 -4.90 121.76 118.03 3e9p s ALA 1871Ca 0.11 -0.44 -0.09 0.00 0.00 0.00 0.00 51.96 51.54 3e9p s ALA 1871Cb -0.10 0.70 -0.06 0.00 0.00 0.00 0.00 23.12 23.66 3e9p s ALA 1871CO 0.01 -0.63 0.71 0.95 0.00 0.00 0.00 175.76 176.80 3e9p s THR 1872N -3.87 4.84 -0.11 0.00 -4.23 -1.26 -0.68 115.64 110.33 3e9p s THR 1872Ca 0.08 0.49 -0.04 0.00 -1.18 0.00 0.00 61.69 61.04 3e9p s THR 1872Cb 0.03 -3.73 0.06 0.00 1.34 0.00 0.00 72.50 70.19 3e9p s THR 1872CO -0.07 -0.46 0.23 -0.75 -0.54 0.00 0.00 174.62 173.03 3e9p s LYS 1873N -3.74 0.13 0.29 3.99 2.20 0.17 -4.92 119.74 117.86 3e9p s LYS 1873Ca 0.49 0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 56.45 3e9p s LYS 1873Cb -0.10 -0.11 -0.12 0.00 -1.51 0.00 0.00 37.83 35.99 3e9p s LYS 1873CO 0.30 -0.26 1.58 0.00 -0.36 0.00 0.00 175.35 176.62 3e9p n ALA 1874N 5.07 2.42 -2.57 3.13 0.00 -1.26 -0.35 120.51 126.95 3e9p n ALA 1874Ca -0.11 0.38 -0.27 0.00 0.00 0.00 0.00 53.44 53.44 3e9p n ALA 1874Cb 0.50 -2.45 -0.11 0.00 0.00 0.00 0.00 19.45 17.40 3e9p n ALA 1874CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3e9p s ILE 1875N 0.00 2.17 0.46 0.00 -4.36 -0.42 -4.85 121.20 114.22 3e9p s ILE 1875Ca 0.64 -2.11 -0.24 0.00 -0.26 0.00 0.00 60.65 58.68 3e9p s ILE 1875Cb -0.51 -2.79 -0.08 0.00 1.25 0.00 0.00 42.46 40.33 3e9p s ILE 1875CO 0.48 -0.12 1.24 0.59 0.24 0.00 0.00 174.94 177.37 3e9p n ASN 1876N -0.87 2.30 -1.58 4.36 3.02 -1.26 -4.23 115.26 117.00 3e9p n ASN 1876Ca -0.05 1.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.55 3e9p n ASN 1876Cb 0.65 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 3e9p n ASN 1876CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3e9p n GLY 1877N 0.88 4.83 3.36 7.41 0.00 -0.02 -4.77 105.19 116.88 3e9p n GLY 1877Ca 0.08 -2.14 -0.14 0.00 0.00 0.00 0.00 46.02 43.82 3e9p n GLY 1877CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e9p s ILE 1879N -2.06 5.28 -0.42 0.00 1.01 0.66 -2.86 121.20 122.81 3e9p s ILE 1879Ca -0.08 0.59 -0.14 0.00 0.00 0.00 0.00 60.65 61.02 3e9p s ILE 1879Cb -0.01 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.86 3e9p s ILE 1879CO 0.01 0.42 0.30 0.12 0.00 0.00 0.00 174.94 175.79 3e9p s PHE 1880N 0.22 3.25 -0.15 3.97 5.36 -0.89 -2.47 117.98 127.27 3e9p s PHE 1880Ca 0.18 -0.84 0.00 0.00 -0.96 0.00 0.00 56.93 55.31 3e9p s PHE 1880Cb -0.13 -2.73 0.02 0.00 -0.34 0.00 0.00 43.02 39.84 3e9p s PHE 1880CO 0.05 -0.68 -0.14 0.99 -1.46 0.00 0.00 175.22 173.98 3e9p s THR 1881N 1.62 1.58 -0.08 0.12 2.01 -1.08 -1.20 115.64 118.62 3e9p s THR 1881Ca 0.04 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.40 3e9p s THR 1881Cb -0.21 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 70.84 3e9p s THR 1881CO 0.08 0.45 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.16 3e9p s LEU 1882N 1.48 1.32 -0.54 4.42 2.96 -0.49 0.20 118.68 128.04 3e9p s LEU 1882Ca 0.05 -0.24 -0.25 0.00 -0.22 0.00 0.00 54.13 53.46 3e9p s LEU 1882Cb -0.13 -0.71 0.04 0.00 0.50 0.00 0.00 46.19 45.89 3e9p s LEU 1882CO -0.11 -0.06 1.00 0.21 -1.32 0.00 0.00 176.35 176.07 3e9p s ASN 1883N 1.19 6.40 0.53 3.68 3.84 0.17 -0.04 114.94 130.71 3e9p s ASN 1883Ca -0.06 -0.13 0.34 0.00 0.21 0.00 0.00 52.86 53.23 3e9p s ASN 1883Cb -0.14 -2.47 1.58 0.00 -0.55 0.00 0.00 41.25 39.68 3e9p s ASN 1883CO -0.02 -1.24 2.03 1.55 -2.79 0.00 0.00 177.10 176.63 3e9p h PRO 1884N 9.31 0.00 0.01 0.43 0.13 -1.85 0.23 132.00 140.25 3e9p h PRO 1884Ca -0.25 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3e9p h PRO 1884Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3e9p h PRO 1884CO 1.10 0.00 -0.00 -0.22 -0.23 0.00 0.00 178.00 178.64 3e9p h LYS 1885N 0.00 -0.01 0.00 0.86 1.63 -1.89 -3.39 116.57 113.77 3e9p h LYS 1885Ca 0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.76 3e9p h LYS 1885Cb 0.33 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 3e9p h LYS 1885CO 0.00 0.80 -1.33 0.25 -3.45 0.00 0.00 179.45 175.73 3e9p n THR 1886N -4.66 0.64 -0.43 1.00 -2.24 -1.15 -4.73 114.28 102.71 3e9p n THR 1886Ca -0.09 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3e9p n THR 1886Cb 0.39 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 3e9p n THR 1886CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3e9p n GLY 1887N 1.26 0.91 3.66 3.38 0.00 0.79 -4.85 105.19 110.34 3e9p n GLY 1887Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3e9p n GLY 1887CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3e9p s HIS 1888N -2.96 2.00 -0.24 1.61 3.76 -1.22 -0.62 115.29 117.63 3e9p s HIS 1888Ca 0.00 0.25 -0.04 0.00 -0.15 0.00 0.00 55.06 55.12 3e9p s HIS 1888Cb 0.00 -3.91 -0.00 0.00 1.11 0.00 0.00 32.58 29.78 3e9p s HIS 1888CO 0.00 -3.72 -0.02 -1.17 -0.85 0.00 0.00 174.74 168.98 3e9p s LEU 1889N 4.18 3.09 -0.50 0.89 2.96 0.20 -0.66 118.68 128.83 3e9p s LEU 1889Ca 0.73 -0.48 -0.16 0.00 -0.22 0.00 0.00 54.13 54.00 3e9p s LEU 1889Cb -0.32 -1.76 0.09 0.00 0.50 0.00 0.00 46.19 44.70 3e9p s LEU 1889CO 0.29 -0.06 0.46 -0.36 -1.32 0.00 0.00 176.35 175.37 3e9p s PHE 1890N 1.47 3.22 -0.53 5.38 0.08 0.13 -1.61 117.98 126.11 3e9p s PHE 1890Ca 0.05 -1.01 -0.17 0.00 0.12 0.00 0.00 56.93 55.92 3e9p s PHE 1890Cb -0.15 -3.45 0.11 0.00 -0.57 0.00 0.00 43.02 38.96 3e9p s PHE 1890CO -0.02 -0.91 0.52 -1.17 -0.10 0.00 0.00 175.22 173.53 3e9p s LEU 1891N 1.76 5.84 -0.24 -0.37 2.96 0.68 -2.63 118.68 126.68 3e9p s LEU 1891Ca 0.05 -1.56 -0.18 0.00 -0.22 0.00 0.00 54.13 52.22 3e9p s LEU 1891Cb -0.26 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 3e9p s LEU 1891CO 0.06 -0.85 0.53 -0.75 -1.32 0.00 0.00 176.35 174.02 3e9p s LYS 1892N 1.86 4.11 -0.15 1.98 2.47 -1.03 -0.24 119.74 128.74 3e9p s LYS 1892Ca 0.05 0.39 -0.19 0.00 -1.56 0.00 0.00 55.97 54.66 3e9p s LYS 1892Cb -0.27 -3.63 -0.04 0.00 -1.46 0.00 0.00 37.83 32.44 3e9p s LYS 1892CO 0.05 -0.30 0.52 0.42 0.16 0.00 0.00 175.35 176.19 3e9p s ILE 1893N 2.15 5.14 -0.60 5.43 1.01 0.61 -0.25 121.20 134.68 3e9p s ILE 1893Ca 0.23 1.00 -0.16 0.00 0.00 0.00 0.00 60.65 61.71 3e9p s ILE 1893Cb -0.16 -3.85 0.14 0.00 0.01 0.00 0.00 42.46 38.60 3e9p s ILE 1893CO 0.09 0.25 0.60 -0.63 0.00 0.00 0.00 174.94 175.25 3e9p s ILE 1894N 1.11 5.16 0.30 2.92 -1.09 -0.11 -3.73 121.20 125.75 3e9p s ILE 1894Ca 0.26 -1.52 -0.29 0.00 -2.23 0.00 0.00 60.65 56.88 3e9p s ILE 1894Cb -0.15 -4.41 -0.10 0.00 -1.58 0.00 0.00 42.46 36.22 3e9p s ILE 1894CO 0.10 -0.97 1.13 -2.28 -1.23 0.00 0.00 174.94 171.70 3e9p s HIS 1895N 1.69 3.47 0.59 3.97 5.65 -1.26 -0.84 115.29 128.55 3e9p s HIS 1895Ca 0.08 1.65 0.30 0.00 0.25 0.00 0.00 55.06 57.34 3e9p s HIS 1895Cb -0.25 -3.34 1.35 0.00 -1.18 0.00 0.00 32.58 29.15 3e9p s HIS 1895CO 0.02 -0.78 1.72 1.79 -0.65 0.00 0.00 174.74 176.84 3e9p h THR 1896N 3.02 0.26 -0.15 0.89 1.35 -1.93 -1.16 112.91 115.20 3e9p h THR 1896Ca -0.47 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.43 3e9p h THR 1896Cb 1.21 0.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 3e9p h THR 1896CO 0.66 0.00 0.16 0.77 -0.25 0.00 0.00 175.52 176.86 3e9p h SER 1897N 0.00 0.00 0.65 5.36 4.64 -1.98 -1.89 113.55 120.33 3e9p h SER 1897Ca 0.35 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.64 3e9p h SER 1897Cb 1.85 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.94 3e9p h SER 1897CO -0.00 0.00 -0.15 -0.37 -0.87 0.00 0.00 176.83 175.44 3e9p h VAL 1898N 0.00 0.48 -0.00 0.95 -1.51 -1.59 -2.79 116.25 111.79 3e9p h VAL 1898Ca 0.07 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 3e9p h VAL 1898Cb 0.39 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 3e9p h VAL 1898CO -0.00 0.15 -0.15 0.79 -1.23 0.00 0.00 177.57 177.12 3e9p n TRP 1899N -3.45 0.00 -2.10 5.19 5.03 -0.71 -4.82 117.44 116.59 3e9p n TRP 1899Ca -0.01 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.10 3e9p n TRP 1899Cb 0.32 -0.32 -0.03 0.00 -1.03 0.00 0.00 31.31 30.25 3e9p n TRP 1899CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3e9p s ALA 1900N -2.79 3.64 0.00 6.99 0.00 -1.06 -2.03 121.76 126.51 3e9p s ALA 1900Ca 0.19 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.27 3e9p s ALA 1900Cb 0.19 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3e9p s ALA 1900CO 0.55 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3e9p n GLY 1901N 3.68 0.90 3.95 0.00 0.00 -1.26 -5.00 105.19 107.46 3e9p n GLY 1901Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3e9p n GLY 1901CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3e9p s GLN 1902N -0.09 3.45 0.09 1.61 -1.52 -0.86 -5.12 119.66 117.23 3e9p s GLN 1902Ca 0.00 -0.60 0.09 0.00 -1.95 0.00 0.00 55.36 52.91 3e9p s GLN 1902Cb 0.00 -2.92 -0.03 0.00 -0.22 0.00 0.00 33.01 29.83 3e9p s GLN 1902CO 0.00 0.47 -0.24 0.15 -0.25 0.00 0.00 175.29 175.42 3e9p s LYS 1903N -3.46 1.40 -0.54 2.91 1.02 -1.26 -4.90 119.74 114.91 3e9p s LYS 1903Ca 0.35 -1.19 -0.21 0.00 0.02 0.00 0.00 55.97 54.94 3e9p s LYS 1903Cb -0.10 -1.72 0.03 0.00 -0.52 0.00 0.00 37.83 35.52 3e9p s LYS 1903CO 0.29 0.42 0.64 0.54 -0.92 0.00 0.00 175.35 176.32 3e9p n ARG 1904N 1.27 -1.95 0.02 1.68 1.74 -1.26 -4.73 116.66 113.43 3e9p n ARG 1904Ca -0.18 1.57 0.13 0.00 -0.77 0.00 0.00 57.85 58.60 3e9p n ARG 1904Cb 0.53 -3.78 0.55 0.00 -1.02 0.00 0.00 32.46 28.74 3e9p n ARG 1904CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3e9p n LEU 1905N -0.79 0.17 0.08 0.55 4.77 -1.26 -2.79 117.00 117.73 3e9p n LEU 1905Ca -0.04 0.52 -0.09 0.00 -0.03 0.00 0.00 56.01 56.37 3e9p n LEU 1905Cb 0.59 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3e9p n LEU 1905CO 0.54 -0.07 0.24 0.28 -1.33 0.00 0.00 177.39 177.06 3e9p h SER 1906N 0.00 0.27 0.14 -1.43 0.02 -1.98 -2.35 113.55 108.22 3e9p h SER 1906Ca 0.00 -0.22 -0.20 0.00 -0.84 0.00 0.00 61.79 60.53 3e9p h SER 1906Cb 0.52 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 63.00 3e9p h SER 1906CO 0.00 1.03 -0.89 -0.61 -1.14 0.00 0.00 176.83 175.22 3e9p h GLN 1907N 0.11 0.30 0.00 3.45 5.75 -1.88 -3.34 115.11 119.50 3e9p h GLN 1907Ca -0.05 -0.51 -0.04 0.00 -0.15 0.00 0.00 58.65 57.90 3e9p h GLN 1907Cb 1.51 0.19 -0.01 0.00 1.07 0.00 0.00 27.48 30.25 3e9p h GLN 1907CO 0.14 1.24 -0.21 1.25 -2.65 0.00 0.00 178.83 178.60 3e9p h LEU 1908N -0.36 0.00 -1.65 -2.39 5.85 -1.61 -2.70 115.31 112.45 3e9p h LEU 1908Ca -0.16 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 3e9p h LEU 1908Cb 1.67 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 3e9p h LEU 1908CO 0.14 0.21 -0.16 0.00 -0.34 0.00 0.00 178.44 178.29 3e9p h ALA 1909N 1.79 1.71 -0.35 1.25 0.00 -1.54 -0.95 119.26 121.17 3e9p h ALA 1909Ca -0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 3e9p h ALA 1909Cb 0.44 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3e9p h ALA 1909CO 0.03 0.22 -0.44 0.87 0.00 0.00 0.00 179.25 179.92 3e9p h LYS 1910N 0.01 0.91 -0.01 0.00 1.57 -1.62 -1.55 116.57 115.88 3e9p h LYS 1910Ca 0.00 -0.51 -0.19 0.00 -1.87 0.00 0.00 60.65 58.08 3e9p h LYS 1910Cb 0.30 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3e9p h LYS 1910CO 0.02 1.16 -0.84 -1.49 -0.57 0.00 0.00 179.45 177.73 3e9p h TRP 1911N 0.72 0.36 -0.20 -1.35 4.06 -1.49 -2.45 115.95 115.60 3e9p h TRP 1911Ca 0.04 -0.19 -0.15 0.00 2.06 0.00 0.00 58.89 60.66 3e9p h TRP 1911Cb 1.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 29.15 3e9p h TRP 1911CO 0.07 0.98 -0.48 -0.22 -3.56 0.00 0.00 178.44 175.22 3e9p h LYS 1912N 0.15 0.54 -0.15 0.49 3.11 -1.18 -0.66 116.57 118.88 3e9p h LYS 1912Ca -0.04 -0.31 -0.01 0.00 -2.81 0.00 0.00 60.65 57.48 3e9p h LYS 1912Cb 1.45 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.70 3e9p h LYS 1912CO 0.13 0.91 0.07 1.15 -2.81 0.00 0.00 179.45 178.90 3e9p h THR 1913N 0.43 1.12 0.13 1.00 2.02 -1.25 -1.23 112.91 115.13 3e9p h THR 1913Ca 0.02 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3e9p h THR 1913Cb 1.00 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 3e9p h THR 1913CO 0.09 0.11 -0.10 0.00 0.37 0.00 0.00 175.52 175.99 3e9p h ALA 1914N 0.94 -0.21 -0.60 6.16 0.00 -1.28 -0.86 119.26 123.40 3e9p h ALA 1914Ca 0.05 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.04 3e9p h ALA 1914Cb 0.12 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 3e9p h ALA 1914CO -0.01 -0.63 0.14 1.49 0.00 0.00 0.00 179.25 180.24 3e9p h GLU 1915N -0.24 0.27 -0.17 0.00 4.81 -1.14 0.47 114.58 118.58 3e9p h GLU 1915Ca -0.00 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.01 3e9p h GLU 1915Cb 0.22 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3e9p h GLU 1915CO -0.01 0.18 -0.70 0.93 -0.73 0.00 0.00 179.01 178.67 3e9p h GLU 1916N 0.28 0.73 -0.53 1.92 4.39 -1.03 -0.91 114.58 119.42 3e9p h GLU 1916Ca 0.32 -0.55 -0.07 0.00 0.34 0.00 0.00 59.36 59.40 3e9p h GLU 1916Cb 0.46 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 3e9p h GLU 1916CO -0.39 1.17 0.08 0.28 -1.16 0.00 0.00 179.01 178.98 3e9p h VAL 1917N 0.51 1.25 -0.51 3.13 2.07 -1.03 -1.78 116.25 119.90 3e9p h VAL 1917Ca -0.03 -0.97 0.06 0.00 0.82 0.00 0.00 66.70 66.58 3e9p h VAL 1917Cb 1.31 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 3e9p h VAL 1917CO 0.14 0.35 0.22 -1.28 0.02 0.00 0.00 177.57 177.02 3e9p h SER 1918N 0.77 0.26 -0.69 0.57 0.87 -0.87 -1.45 113.55 113.01 3e9p h SER 1918Ca 0.16 0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.69 3e9p h SER 1918Cb 0.42 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 3e9p h SER 1918CO 0.01 0.18 0.13 0.00 -0.53 0.00 0.00 176.83 176.63 3e9p h ALA 1919N 1.31 0.91 0.28 6.23 0.00 -0.97 -1.01 119.26 126.02 3e9p h ALA 1919Ca 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3e9p h ALA 1919Cb 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3e9p h ALA 1919CO -0.21 0.67 -0.14 1.25 0.00 0.00 0.00 179.25 180.82 3e9p h LEU 1920N 1.06 -0.32 -0.58 0.00 5.85 -1.17 -1.43 115.31 118.72 3e9p h LEU 1920Ca 0.21 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.97 3e9p h LEU 1920Cb 0.42 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 3e9p h LEU 1920CO 0.01 -0.17 0.23 0.58 -0.34 0.00 0.00 178.44 178.76 3e9p h VAL 1921N -0.46 0.82 -0.39 1.05 2.07 -1.18 -2.08 116.25 116.08 3e9p h VAL 1921Ca -0.04 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3e9p h VAL 1921Cb 0.34 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3e9p h VAL 1921CO 0.06 0.08 0.19 -0.09 0.02 0.00 0.00 177.57 177.83 3e9p h ARG 1922N 0.43 0.54 0.00 1.57 2.43 -1.12 -2.22 114.38 116.02 3e9p h ARG 1922Ca 0.28 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3e9p h ARG 1922Cb 0.31 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3e9p h ARG 1922CO -0.26 0.42 -0.02 0.66 -1.51 0.00 0.00 179.97 179.26 3e9p h SER 1923N 0.55 0.00 -3.63 -3.80 4.64 -0.54 -3.46 113.55 107.31 3e9p h SER 1923Ca 0.14 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.95 3e9p h SER 1923Cb 0.06 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 3e9p h SER 1923CO -0.02 0.02 0.10 -0.76 -0.87 0.00 0.00 176.83 175.30 3e9p s LEU 1924N -6.22 4.24 0.74 5.97 1.43 -0.84 -5.06 118.68 118.95 3e9p s LEU 1924Ca 0.02 1.37 -0.14 0.00 -1.03 0.00 0.00 54.13 54.35 3e9p s LEU 1924Cb 0.08 -3.77 0.05 0.00 0.03 0.00 0.00 46.19 42.58 3e9p s LEU 1924CO 0.57 -0.05 1.18 -2.84 0.23 0.00 0.00 176.35 175.44 3e9p s PRO 1925N -2.34 2.12 0.40 1.29 0.02 -1.26 -4.79 135.00 130.43 3e9p s PRO 1925Ca 0.47 1.64 0.16 0.00 0.02 0.00 0.00 61.00 63.29 3e9p s PRO 1925Cb -0.14 -1.84 1.03 0.00 0.02 0.00 0.00 34.50 33.56 3e9p s PRO 1925CO 0.20 -1.82 1.83 0.87 -0.33 0.00 0.00 177.00 177.74 3e9p h LYS 1926N -0.47 0.46 -0.83 5.54 1.57 -1.96 -0.61 116.57 120.25 3e9p h LYS 1926Ca -0.47 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.36 3e9p h LYS 1926Cb 1.28 -0.10 -0.10 0.00 0.08 0.00 0.00 32.23 33.39 3e9p h LYS 1926CO 0.49 0.30 -0.49 0.39 -0.57 0.00 0.00 179.45 179.57 3e9p n GLU 1927N -4.56 -0.37 -0.10 3.15 1.02 -1.26 -2.69 120.64 115.83 3e9p n GLU 1927Ca 0.21 1.27 0.12 0.00 -0.02 0.00 0.00 57.16 58.74 3e9p n GLU 1927Cb 0.70 -1.87 0.25 0.00 -0.02 0.00 0.00 31.44 30.49 3e9p n GLU 1927CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3e9p n GLU 1928N -5.02 2.23 -2.44 3.49 1.02 -0.27 -4.93 120.64 114.71 3e9p n GLU 1928Ca 0.02 -1.83 -0.38 0.00 -0.02 0.00 0.00 57.16 54.95 3e9p n GLU 1928Cb 0.22 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 3e9p n GLU 1928CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3e9p s GLN 1929N -1.74 4.24 0.51 3.49 -0.21 -0.98 -4.94 119.66 120.03 3e9p s GLN 1929Ca 0.34 1.70 -0.19 0.00 0.02 0.00 0.00 55.36 57.24 3e9p s GLN 1929Cb 0.21 -2.75 -0.08 0.00 1.00 0.00 0.00 33.01 31.39 3e9p s GLN 1929CO 0.30 -0.12 1.01 -1.25 -2.12 0.00 0.00 175.29 173.12 3e9p s PRO 1930N -2.17 3.81 0.04 2.91 0.04 -1.26 -4.77 135.00 133.60 3e9p s PRO 1930Ca 0.54 1.18 0.10 0.00 0.04 0.00 0.00 61.00 62.86 3e9p s PRO 1930Cb -0.27 -2.11 -0.22 0.00 0.04 0.00 0.00 34.50 31.94 3e9p s PRO 1930CO 0.35 -0.40 0.99 0.87 0.04 0.00 0.00 177.00 178.84 3e9p h LYS 1931N 1.23 0.00 -3.98 4.56 1.57 -0.92 -3.43 116.57 115.61 3e9p h LYS 1931Ca -0.48 -0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.00 3e9p h LYS 1931Cb 1.20 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.22 3e9p h LYS 1931CO 0.60 0.76 -0.74 -0.65 -0.57 0.00 0.00 179.45 178.85 3e9p s GLN 1932N -2.66 0.25 -0.14 3.15 -0.21 -1.15 -0.73 119.66 118.17 3e9p s GLN 1932Ca -0.02 -0.06 0.01 0.00 0.02 0.00 0.00 55.36 55.31 3e9p s GLN 1932Cb 0.09 -0.29 -0.01 0.00 1.00 0.00 0.00 33.01 33.80 3e9p s GLN 1932CO 0.82 0.02 -0.16 0.42 -2.12 0.00 0.00 175.29 174.27 3e9p s ILE 1933N 0.19 2.66 -0.25 1.08 1.01 -0.32 -1.63 121.20 123.94 3e9p s ILE 1933Ca -0.02 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 3e9p s ILE 1933Cb -0.04 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.33 3e9p s ILE 1933CO -0.00 0.53 0.00 -0.63 0.00 0.00 0.00 174.94 174.84 3e9p s ILE 1934N 0.56 3.56 -0.01 2.92 1.01 0.11 -1.31 121.20 128.05 3e9p s ILE 1934Ca -0.10 -0.62 -0.17 0.00 0.00 0.00 0.00 60.65 59.76 3e9p s ILE 1934Cb -0.16 -2.73 -0.06 0.00 0.01 0.00 0.00 42.46 39.52 3e9p s ILE 1934CO 0.04 0.27 0.47 0.68 0.00 0.00 0.00 174.94 176.40 3e9p s VAL 1935N 1.47 4.99 -0.51 2.92 -7.23 -0.67 -0.36 120.40 121.00 3e9p s VAL 1935Ca 0.04 0.98 0.25 0.00 -1.81 0.00 0.00 61.98 61.44 3e9p s VAL 1935Cb -0.16 -3.80 0.32 0.00 0.56 0.00 0.00 36.38 33.31 3e9p s VAL 1935CO -0.01 0.50 1.69 0.71 -0.31 0.00 0.00 175.10 177.68 3e9p h THR 1936N 3.94 0.00 -3.89 5.32 1.35 -1.53 -3.32 112.91 114.78 3e9p h THR 1936Ca -0.48 -0.78 -0.65 0.00 -0.55 0.00 0.00 66.41 63.95 3e9p h THR 1936Cb 1.21 1.77 -0.32 0.00 -1.73 0.00 0.00 68.15 69.08 3e9p h THR 1936CO 0.66 0.00 -0.87 -0.13 -0.25 0.00 0.00 175.52 174.93 3e9p s ARG 1937N -3.20 2.37 0.56 4.72 0.52 -1.26 -4.87 118.95 117.79 3e9p s ARG 1937Ca 0.08 -0.81 0.35 0.00 -0.52 0.00 0.00 55.73 54.83 3e9p s ARG 1937Cb 0.08 -1.99 1.51 0.00 0.52 0.00 0.00 34.95 35.08 3e9p s ARG 1937CO 0.63 0.31 2.04 0.87 0.02 0.00 0.00 175.30 179.17 3e9p h LYS 1938N 6.21 0.00 0.00 3.54 1.57 -1.92 -2.22 116.57 123.75 3e9p h LYS 1938Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3e9p h LYS 1938Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3e9p h LYS 1938CO 0.47 0.01 0.00 0.00 -0.57 0.00 0.00 179.45 179.36 3e9p h ALA 1939N 1.99 1.00 0.00 3.86 0.00 -1.98 -2.60 119.26 121.53 3e9p h ALA 1939Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3e9p h ALA 1939Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3e9p h ALA 1939CO 0.00 0.00 -0.59 -1.33 0.00 0.00 0.00 179.25 177.33 3e9p n MET 1940N -2.82 0.21 0.19 0.00 2.81 -0.84 -4.35 117.12 112.33 3e9p n MET 1940Ca 0.00 0.06 -0.15 0.00 -1.81 0.00 0.00 57.70 55.80 3e9p n MET 1940Cb 0.23 -1.63 -0.07 0.00 -0.71 0.00 0.00 33.22 31.04 3e9p n MET 1940CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3e9p h LEU 1941N 0.00 -0.88 0.06 4.03 5.85 -1.55 -2.45 115.31 120.36 3e9p h LEU 1941Ca 0.00 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3e9p h LEU 1941Cb 0.67 0.30 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3e9p h LEU 1941CO 0.00 -0.45 -0.03 -0.78 -0.34 0.00 0.00 178.44 176.84 3e9p h ASP 1942N -0.65 -0.07 -0.93 1.25 3.58 -1.76 -0.68 116.42 117.16 3e9p h ASP 1942Ca -0.01 -0.20 0.05 0.00 0.42 0.00 0.00 57.03 57.29 3e9p h ASP 1942Cb 0.61 0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.61 3e9p h ASP 1942CO -0.08 0.16 0.59 -0.65 -2.88 0.00 0.00 179.24 176.39 3e9p h PRO 1943N -0.30 1.08 -0.39 0.28 0.11 -1.79 -1.63 132.00 129.36 3e9p h PRO 1943Ca -0.01 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 65.89 3e9p h PRO 1943Cb 0.27 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 3e9p h PRO 1943CO 0.01 0.71 -0.34 1.25 -0.21 0.00 0.00 178.00 179.43 3e9p h LEU 1944N 1.11 0.94 -0.58 2.35 5.85 -1.35 -2.50 115.31 121.13 3e9p h LEU 1944Ca 0.39 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3e9p h LEU 1944Cb 0.10 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3e9p h LEU 1944CO -0.15 1.18 0.36 -0.33 -0.34 0.00 0.00 178.44 179.16 3e9p h GLU 1945N 0.74 0.69 -0.50 1.25 5.08 -0.67 -1.36 114.58 119.80 3e9p h GLU 1945Ca 0.07 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3e9p h GLU 1945Cb 0.91 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 3e9p h GLU 1945CO 0.08 0.46 0.28 0.28 -1.00 0.00 0.00 179.01 179.11 3e9p h VAL 1946N 0.71 1.02 0.00 3.13 2.07 -1.22 -2.79 116.25 119.16 3e9p h VAL 1946Ca 0.23 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3e9p h VAL 1946Cb 0.00 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3e9p h VAL 1946CO -0.09 0.10 0.00 1.41 0.02 0.00 0.00 177.57 179.01 3e9p n HIS 1947N -4.83 0.94 -0.41 1.57 8.25 -0.95 -3.42 115.22 116.37 3e9p n HIS 1947Ca 0.04 0.30 0.11 0.00 -0.26 0.00 0.00 57.72 57.91 3e9p n HIS 1947Cb 0.09 -0.99 0.33 0.00 1.12 0.00 0.00 29.99 30.55 3e9p n HIS 1947CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3e9p n MET 1948N -2.29 2.98 -0.19 -0.41 2.00 -0.54 -4.56 117.12 114.11 3e9p n MET 1948Ca 0.04 -2.71 0.08 0.00 0.00 0.00 0.00 57.70 55.12 3e9p n MET 1948Cb 0.37 -1.66 0.37 0.00 0.00 0.00 0.00 33.22 32.30 3e9p n MET 1948CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3e9p h LEU 1949N 4.25 0.65 0.00 4.03 3.38 -1.56 0.12 115.31 126.18 3e9p h LEU 1949Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3e9p h LEU 1949Cb 1.11 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3e9p h LEU 1949CO 0.06 0.40 0.00 0.47 0.09 0.00 0.00 178.44 179.46 3e9p n ASP 1950N -4.49 0.00 -3.45 -0.43 8.00 -1.26 -3.89 116.55 111.03 3e9p n ASP 1950Ca 0.12 -0.83 -0.27 0.00 0.71 0.00 0.00 54.79 54.52 3e9p n ASP 1950Cb 0.28 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.29 3e9p n ASP 1950CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3e9p n PHE 1951N -0.89 2.72 0.26 1.24 3.72 0.41 -4.96 117.46 119.96 3e9p n PHE 1951Ca 0.13 -4.04 0.10 0.00 -0.05 0.00 0.00 57.45 53.58 3e9p n PHE 1951Cb 0.06 -0.50 0.70 0.00 -0.94 0.00 0.00 39.48 38.79 3e9p n PHE 1951CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3e9p h PRO 1952N 4.37 0.00 -0.07 -1.08 0.13 -1.74 -2.53 132.00 131.07 3e9p h PRO 1952Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3e9p h PRO 1952Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3e9p h PRO 1952CO 0.74 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.60 3e9p n ASN 1953N -4.40 1.68 -4.58 1.44 3.02 -1.26 -4.78 115.26 106.38 3e9p n ASN 1953Ca -0.03 -1.60 -0.37 0.00 -0.03 0.00 0.00 54.58 52.55 3e9p n ASN 1953Cb 0.10 -0.04 -0.11 0.00 -0.61 0.00 0.00 39.78 39.12 3e9p n ASN 1953CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3e9p s ILE 1954N -1.92 5.07 0.03 2.41 1.01 -0.96 -4.81 121.20 122.04 3e9p s ILE 1954Ca 0.36 0.09 -0.22 0.00 0.00 0.00 0.00 60.65 60.87 3e9p s ILE 1954Cb 0.20 -3.39 -0.06 0.00 0.01 0.00 0.00 42.46 39.22 3e9p s ILE 1954CO 0.31 0.31 0.65 0.00 0.00 0.00 0.00 174.94 176.21 3e9p s ALA 1955N 1.47 3.47 -0.23 9.38 0.00 0.09 -4.95 121.76 130.98 3e9p s ALA 1955Ca 0.07 0.12 -0.07 0.00 0.00 0.00 0.00 51.96 52.08 3e9p s ALA 1955Cb -0.15 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 3e9p s ALA 1955CO 0.07 0.18 0.07 0.42 0.00 0.00 0.00 175.76 176.50 3e9p s ILE 1956N -0.35 4.44 -0.02 0.00 -1.09 -1.26 -1.17 121.20 121.75 3e9p s ILE 1956Ca 0.33 -0.14 0.05 0.00 -2.23 0.00 0.00 60.65 58.66 3e9p s ILE 1956Cb -0.19 -3.05 -0.01 0.00 -1.58 0.00 0.00 42.46 37.63 3e9p s ILE 1956CO 0.20 0.37 -0.16 -0.13 -1.23 0.00 0.00 174.94 173.99 3e9p s ARG 1957N 1.23 1.48 0.73 2.79 0.52 -0.43 -4.99 118.95 120.27 3e9p s ARG 1957Ca 0.05 -0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 54.64 3e9p s ARG 1957Cb -0.14 -1.37 0.11 0.00 0.52 0.00 0.00 34.95 34.07 3e9p s ARG 1957CO 0.03 0.30 1.01 -1.25 0.02 0.00 0.00 175.30 175.42 3e9p s PRO 1958N -0.20 1.74 0.03 3.54 0.04 -1.26 -1.68 135.00 137.21 3e9p s PRO 1958Ca 0.02 -0.83 0.03 0.00 0.04 0.00 0.00 61.00 60.26 3e9p s PRO 1958Cb -0.08 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 3e9p s PRO 1958CO 0.00 -1.44 -0.09 -0.08 0.04 0.00 0.00 177.00 175.43 3e9p s THR 1959N -3.21 0.71 -0.72 1.26 -1.32 -1.25 -1.94 115.64 109.18 3e9p s THR 1959Ca 0.65 -0.81 0.25 0.00 -1.21 0.00 0.00 61.69 60.56 3e9p s THR 1959Cb -0.07 -0.68 0.08 0.00 -1.51 0.00 0.00 72.50 70.32 3e9p s THR 1959CO 0.45 -0.10 1.41 -0.62 -2.21 0.00 0.00 174.62 173.54 3e9p n GLU 1960N 2.03 0.24 -2.49 7.08 1.02 0.82 -4.88 120.64 124.47 3e9p n GLU 1960Ca -0.18 0.08 -0.41 0.00 -0.02 0.00 0.00 57.16 56.63 3e9p n GLU 1960Cb 0.56 -1.66 -0.04 0.00 -0.02 0.00 0.00 31.44 30.27 3e9p n GLU 1960CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3e9p s LEU 1961N -4.03 4.46 -1.06 -4.62 1.43 -1.22 -3.55 118.68 110.08 3e9p s LEU 1961Ca 0.08 2.09 -0.03 0.00 -1.03 0.00 0.00 54.13 55.23 3e9p s LEU 1961Cb 0.14 -3.60 0.31 0.00 0.03 0.00 0.00 46.19 43.07 3e9p s LEU 1961CO 0.70 -0.28 1.55 0.54 0.23 0.00 0.00 176.35 179.09 3e9p n ARG 1962N 2.67 4.68 -2.07 1.70 5.12 -0.97 -4.81 116.66 122.99 3e9p n ARG 1962Ca 0.04 -4.59 -0.41 0.00 -1.93 0.00 0.00 57.85 50.96 3e9p n ARG 1962Cb 0.46 -2.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.24 3e9p n ARG 1962CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3e9p s LEU 1963N -3.14 4.41 -0.12 0.55 1.43 -1.07 -4.06 118.68 116.67 3e9p s LEU 1963Ca 0.33 2.69 -0.01 0.00 -1.03 0.00 0.00 54.13 56.11 3e9p s LEU 1963Cb 0.08 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.71 3e9p s LEU 1963CO 0.06 -0.61 2.17 -0.81 0.23 0.00 0.00 176.35 177.39 3e9p n PRO 1964N 1.36 1.39 0.21 1.29 -0.04 -1.26 -4.56 135.00 133.40 3e9p n PRO 1964Ca 0.03 -0.67 0.09 0.00 -0.04 0.00 0.00 63.50 62.90 3e9p n PRO 1964Cb 0.41 -1.32 0.45 0.00 -0.04 0.00 0.00 33.50 33.00 3e9p n PRO 1964CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3e9p h PHE 1965N 1.39 0.00 -0.96 0.54 0.04 -1.92 -2.88 116.94 113.15 3e9p h PHE 1965Ca 0.12 0.00 0.19 0.00 2.80 0.00 0.00 57.97 61.08 3e9p h PHE 1965Cb 1.00 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.07 3e9p h PHE 1965CO 0.59 0.26 0.61 0.66 -0.60 0.00 0.00 178.31 179.83 3e9p h SER 1966N 0.00 0.64 0.00 2.17 4.64 -1.97 0.27 113.55 119.30 3e9p h SER 1966Ca -0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3e9p h SER 1966Cb 0.75 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3e9p h SER 1966CO 0.03 0.25 0.01 0.00 -0.87 0.00 0.00 176.83 176.26 3e9p n ALA 1967N -2.41 1.22 0.27 5.18 0.00 -1.09 -2.91 120.51 120.77 3e9p n ALA 1967Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.75 3e9p n ALA 1967Cb 0.60 -0.92 0.71 0.00 0.00 0.00 0.00 19.45 19.84 3e9p n ALA 1967CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e9p h ALA 1968N 1.85 1.86 -0.03 0.00 0.00 -1.15 0.12 119.26 121.90 3e9p h ALA 1968Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3e9p h ALA 1968Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3e9p h ALA 1968CO 0.00 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 177.93 3e9p n MET 1969N -4.34 1.08 0.00 0.00 2.81 -1.14 -2.31 117.12 113.22 3e9p n MET 1969Ca -0.03 -0.13 0.11 0.00 -1.81 0.00 0.00 57.70 55.84 3e9p n MET 1969Cb 0.09 -1.07 -0.01 0.00 -0.71 0.00 0.00 33.22 31.53 3e9p n MET 1969CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3e9p n SER 1970N -0.43 1.10 -4.66 7.83 7.64 0.42 -4.61 113.62 120.90 3e9p n SER 1970Ca 0.03 -0.96 -0.41 0.00 1.01 0.00 0.00 58.87 58.54 3e9p n SER 1970Cb 0.04 0.72 -0.05 0.00 -1.01 0.00 0.00 64.21 63.92 3e9p n SER 1970CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3e9p s ILE 1971N -2.88 4.92 0.13 0.44 1.01 -0.98 -4.96 121.20 118.89 3e9p s ILE 1971Ca 0.11 1.50 -0.16 0.00 0.00 0.00 0.00 60.65 62.10 3e9p s ILE 1971Cb 0.17 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 3e9p s ILE 1971CO 0.77 0.04 1.70 0.44 0.00 0.00 0.00 174.94 177.88 3e9p h ASP 1972N 7.41 0.52 -0.65 3.58 3.32 -1.89 0.36 116.42 129.07 3e9p h ASP 1972Ca -0.29 -0.14 0.10 0.00 0.02 0.00 0.00 57.03 56.71 3e9p h ASP 1972Cb 1.13 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 40.47 3e9p h ASP 1972CO 0.82 0.52 0.27 0.50 -1.72 0.00 0.00 179.24 179.63 3e9p h LYS 1973N 0.49 0.45 -0.09 3.56 3.64 -1.92 0.13 116.57 122.81 3e9p h LYS 1973Ca 0.13 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3e9p h LYS 1973Cb 0.15 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3e9p h LYS 1973CO -0.01 0.30 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.33 3e9p h LEU 1974N 0.46 0.22 -0.54 5.20 4.07 -1.73 -2.35 115.31 120.65 3e9p h LEU 1974Ca 0.33 -0.45 0.09 0.00 0.08 0.00 0.00 57.88 57.94 3e9p h LEU 1974Cb 0.41 -0.06 -0.07 0.00 1.08 0.00 0.00 40.66 42.01 3e9p h LEU 1974CO -0.31 0.62 0.13 -1.28 -1.08 0.00 0.00 178.44 176.53 3e9p h SER 1975N -0.18 0.05 0.40 -0.43 0.87 -0.75 -2.55 113.55 110.97 3e9p h SER 1975Ca 0.02 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3e9p h SER 1975Cb 0.55 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 3e9p h SER 1975CO 0.02 0.05 -0.19 0.44 -0.53 0.00 0.00 176.83 176.61 3e9p h ASP 1976N 0.28 -0.46 -0.91 6.23 3.32 -0.72 -2.46 116.42 121.69 3e9p h ASP 1976Ca 0.28 -0.06 0.11 0.00 0.02 0.00 0.00 57.03 57.38 3e9p h ASP 1976Cb 0.37 0.12 -0.08 0.00 0.22 0.00 0.00 39.33 39.96 3e9p h ASP 1976CO -0.34 -0.22 0.54 -0.37 -1.72 0.00 0.00 179.24 177.13 3e9p h VAL 1977N -0.68 0.90 -0.43 -1.35 -1.51 -1.35 0.11 116.25 111.94 3e9p h VAL 1977Ca -0.06 -0.30 -0.05 0.00 -1.23 0.00 0.00 66.70 65.07 3e9p h VAL 1977Cb 0.49 -0.05 -0.02 0.00 -2.13 0.00 0.00 31.29 29.59 3e9p h VAL 1977CO 0.09 0.16 0.07 0.58 -1.23 0.00 0.00 177.57 177.24 3e9p h VAL 1978N 0.87 1.24 0.00 7.19 2.07 -1.40 -2.86 116.25 123.37 3e9p h VAL 1978Ca 0.45 -0.87 -0.18 0.00 0.82 0.00 0.00 66.70 66.91 3e9p h VAL 1978Cb 0.44 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3e9p h VAL 1978CO -0.27 0.30 -0.87 -0.03 0.02 0.00 0.00 177.57 176.73 3e9p h MET 1979N 0.56 0.00 0.00 1.57 -1.53 -0.87 -3.07 114.93 111.59 3e9p h MET 1979Ca 0.13 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.39 3e9p h MET 1979Cb 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.42 3e9p h MET 1979CO 0.01 0.86 0.00 0.87 0.14 0.00 0.00 176.91 178.79 3e9p h LYS 1980N 0.00 0.00 -6.46 0.39 1.57 -0.99 -3.46 116.57 107.61 3e9p h LYS 1980Ca -0.01 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.24 3e9p h LYS 1980Cb 1.67 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.00 3e9p h LYS 1980CO 0.11 0.00 0.94 0.00 -0.57 0.00 0.00 179.45 179.94 3e9p s ALA 1981N -3.44 3.68 -1.68 3.86 0.00 -1.08 -4.90 121.76 118.19 3e9p s ALA 1981Ca 0.04 1.17 0.16 0.00 0.00 0.00 0.00 51.96 53.33 3e9p s ALA 1981Cb 0.09 -3.66 0.05 0.00 0.00 0.00 0.00 23.12 19.60 3e9p s ALA 1981CO 0.48 -1.01 0.91 0.25 0.00 0.00 0.00 175.76 176.39 3e9p n THR 1982N 4.58 0.00 -3.58 0.00 -2.24 -1.26 -4.95 114.28 106.83 3e9p n THR 1982Ca 0.15 -0.41 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 3e9p n THR 1982Cb 0.41 1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 69.85 3e9p n THR 1982CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3e9p s GLU 1983N -1.61 1.19 0.35 -0.78 -1.05 -1.26 -5.08 118.70 110.46 3e9p s GLU 1983Ca 0.15 -0.66 -0.28 0.00 -0.15 0.00 0.00 54.97 54.04 3e9p s GLU 1983Cb 0.13 0.52 -0.12 0.00 -0.44 0.00 0.00 34.13 34.22 3e9p s GLU 1983CO 0.30 -0.49 1.31 -2.30 0.95 0.00 0.00 175.26 175.03 3e9p n PRO 1984N -0.30 2.19 -3.57 -4.83 -0.02 -1.26 -4.73 135.00 122.49 3e9p n PRO 1984Ca -0.15 0.77 -0.06 0.00 -2.02 0.00 0.00 63.50 62.03 3e9p n PRO 1984Cb 0.64 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 3e9p n PRO 1984CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3e9p s GLN 1985N -1.91 0.77 -0.17 -0.52 -2.07 -1.24 -5.04 119.66 109.47 3e9p s GLN 1985Ca 0.55 -0.33 0.00 0.00 -1.82 0.00 0.00 55.36 53.77 3e9p s GLN 1985Cb -0.56 0.33 0.04 0.00 -1.09 0.00 0.00 33.01 31.73 3e9p s GLN 1985CO 0.62 -0.34 -0.08 1.41 -1.32 0.00 0.00 175.29 175.58 3e9p s MET 1986N -2.99 1.76 -0.08 9.60 -2.45 -1.26 -0.29 119.30 123.59 3e9p s MET 1986Ca 0.07 -0.63 0.01 0.00 -1.25 0.00 0.00 55.69 53.90 3e9p s MET 1986Cb -0.01 -2.14 -0.03 0.00 1.25 0.00 0.00 34.83 33.90 3e9p s MET 1986CO -0.06 -0.40 -0.09 0.08 1.05 0.00 0.00 175.02 175.60 3e9p s VAL 1987N 1.53 3.47 -0.08 10.11 1.01 0.67 -4.95 120.40 132.16 3e9p s VAL 1987Ca 0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 3e9p s VAL 1987Cb -0.15 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3e9p s VAL 1987CO -0.08 0.58 -0.03 -0.76 0.00 0.00 0.00 175.10 174.81 3e9p s LEU 1988N -0.57 3.41 0.08 3.92 1.02 -1.26 -0.23 118.68 125.04 3e9p s LEU 1988Ca 0.08 0.08 -0.01 0.00 0.02 0.00 0.00 54.13 54.30 3e9p s LEU 1988Cb -0.12 -1.77 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 3e9p s LEU 1988CO 0.02 0.37 -0.01 -0.36 0.02 0.00 0.00 176.35 176.39 3e9p s PHE 1989N -0.86 0.66 -0.39 0.29 0.08 -0.64 -5.00 117.98 112.12 3e9p s PHE 1989Ca 0.13 -1.10 -0.10 0.00 0.12 0.00 0.00 56.93 55.99 3e9p s PHE 1989Cb -0.11 -0.43 0.05 0.00 -0.57 0.00 0.00 43.02 41.96 3e9p s PHE 1989CO 0.02 -0.39 0.22 1.21 -0.10 0.00 0.00 175.22 176.18 3e9p s ASN 1990N -2.97 5.63 0.19 1.36 3.84 -1.26 -0.63 114.94 121.10 3e9p s ASN 1990Ca 0.12 -1.25 0.19 0.00 0.21 0.00 0.00 52.86 52.13 3e9p s ASN 1990Cb 0.08 -1.99 0.85 0.00 -0.55 0.00 0.00 41.25 39.64 3e9p s ASN 1990CO -0.06 -0.45 1.59 0.00 -2.79 0.00 0.00 177.10 175.38 3e9p n ILE 1991N 4.94 1.00 0.25 -5.21 3.06 0.21 -1.75 119.36 121.87 3e9p n ILE 1991Ca -0.11 0.35 0.10 0.00 -2.50 0.00 0.00 62.75 60.58 3e9p n ILE 1991Cb 0.44 -1.25 0.26 0.00 0.54 0.00 0.00 39.64 39.63 3e9p n ILE 1991CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 3e9p n TYR 1992N -2.01 0.70 0.00 9.51 4.01 -1.26 -4.94 117.16 123.17 3e9p n TYR 1992Ca 0.02 -0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 3e9p n TYR 1992Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 3e9p n TYR 1992CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3e9p n ASP 1993N 1.17 0.00 -1.12 7.72 8.00 -0.72 -1.25 116.55 130.36 3e9p n ASP 1993Ca 0.19 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.77 3e9p n ASP 1993Cb 0.49 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.86 3e9p n ASP 1993CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3e9p n ASP 1994N 2.92 3.94 -0.24 -2.24 5.75 -1.26 -4.73 116.55 120.68 3e9p n ASP 1994Ca 0.00 -2.40 0.19 0.00 -0.01 0.00 0.00 54.79 52.57 3e9p n ASP 1994Cb 0.00 -0.45 0.52 0.00 -1.03 0.00 0.00 41.12 40.15 3e9p n ASP 1994CO 0.00 0.00 0.00 -0.50 -0.11 0.00 0.00 177.20 176.59 3e9p h TRP 1995N 2.94 0.53 0.00 2.11 6.55 -1.57 -1.95 115.95 124.56 3e9p h TRP 1995Ca 0.00 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.86 3e9p h TRP 1995Cb 1.19 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 29.33 3e9p h TRP 1995CO 0.52 0.14 0.00 1.28 -1.05 0.00 0.00 178.44 179.33 3e9p n LEU 1996N -4.51 0.00 0.26 -4.49 4.77 -1.26 -0.40 117.00 111.38 3e9p n LEU 1996Ca 0.19 0.40 0.15 0.00 -0.03 0.00 0.00 56.01 56.73 3e9p n LEU 1996Cb 0.71 -0.40 0.68 0.00 -2.33 0.00 0.00 43.42 42.07 3e9p n LEU 1996CO 0.31 -0.19 0.95 0.44 -1.33 0.00 0.00 177.39 177.57 3e9p h ASP 1997N 0.00 0.00 0.00 -1.43 3.32 -1.74 -3.37 116.42 113.20 3e9p h ASP 1997Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3e9p h ASP 1997Cb 0.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3e9p h ASP 1997CO 0.00 0.09 -1.11 0.54 -1.72 0.00 0.00 179.24 177.04 3e9p n ARG 1998N -3.28 2.90 -4.35 3.56 1.74 0.47 -5.08 116.66 112.62 3e9p n ARG 1998Ca -0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 3e9p n ARG 1998Cb 0.31 -1.04 -0.10 0.00 -1.02 0.00 0.00 32.46 30.60 3e9p n ARG 1998CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3e9p s ILE 1999N -2.04 1.03 0.73 0.55 -4.36 0.06 -5.15 121.20 112.02 3e9p s ILE 1999Ca -0.01 -2.03 -0.10 0.00 -0.26 0.00 0.00 60.65 58.25 3e9p s ILE 1999Cb 0.01 -2.43 0.05 0.00 1.25 0.00 0.00 42.46 41.34 3e9p s ILE 1999CO 0.06 -0.26 1.09 -0.94 0.24 0.00 0.00 174.94 175.13 3e9p s SER 2000N -3.33 4.90 0.22 4.36 1.04 -1.26 -4.20 113.70 115.43 3e9p s SER 2000Ca 0.30 0.75 -0.09 0.00 0.48 0.00 0.00 55.95 57.40 3e9p s SER 2000Cb 0.06 -1.41 0.18 0.00 0.10 0.00 0.00 66.02 64.96 3e9p s SER 2000CO 0.10 -1.61 1.86 0.28 0.98 0.00 0.00 173.24 174.85 3e9p h SER 2001N -0.75 1.01 -0.37 7.02 0.02 -1.91 -0.04 113.55 118.53 3e9p h SER 2001Ca -0.45 -0.07 0.05 0.00 -0.84 0.00 0.00 61.79 60.47 3e9p h SER 2001Cb 1.30 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.54 3e9p h SER 2001CO 0.63 0.79 0.10 0.22 -1.14 0.00 0.00 176.83 177.43 3e9p h TYR 2002N 1.15 0.18 -0.54 3.45 3.20 -1.94 0.34 116.97 122.81 3e9p h TYR 2002Ca 0.30 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.11 3e9p h TYR 2002Cb -0.03 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3e9p h TYR 2002CO -0.00 0.06 0.02 1.15 -1.64 0.00 0.00 178.16 177.74 3e9p h THR 2003N 0.24 1.25 -0.32 1.81 2.02 -1.88 -1.89 112.91 114.14 3e9p h THR 2003Ca 0.17 -1.05 -0.10 0.00 0.77 0.00 0.00 66.41 66.20 3e9p h THR 2003Cb 0.17 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3e9p h THR 2003CO -0.20 0.38 -0.20 0.00 0.37 0.00 0.00 175.52 175.87 3e9p h ALA 2004N 1.17 0.45 -0.81 6.16 0.00 -0.28 -0.73 119.26 125.21 3e9p h ALA 2004Ca 0.16 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3e9p h ALA 2004Cb 0.47 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3e9p h ALA 2004CO 0.02 0.39 0.39 0.35 0.00 0.00 0.00 179.25 180.40 3e9p h PHE 2005N 0.45 1.18 -0.34 0.00 3.57 -0.36 -0.58 116.94 120.86 3e9p h PHE 2005Ca 0.06 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.54 3e9p h PHE 2005Cb 0.75 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 3e9p h PHE 2005CO 0.06 0.86 0.14 0.77 -2.23 0.00 0.00 178.31 177.91 3e9p h SER 2006N 1.16 0.18 -0.44 0.41 0.02 -1.09 -1.49 113.55 112.29 3e9p h SER 2006Ca 0.28 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 3e9p h SER 2006Cb 0.13 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3e9p h SER 2006CO -0.03 0.14 0.20 -0.09 -1.14 0.00 0.00 176.83 175.91 3e9p h ARG 2007N 0.30 0.64 0.20 3.45 2.43 -0.86 -1.57 114.38 118.96 3e9p h ARG 2007Ca 0.15 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3e9p h ARG 2007Cb 0.10 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3e9p h ARG 2007CO -0.14 0.56 -0.09 1.25 -1.51 0.00 0.00 179.97 180.04 3e9p h LEU 2008N 0.57 -0.22 -0.86 3.80 5.85 -1.05 -1.07 115.31 122.33 3e9p h LEU 2008Ca 0.15 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.82 3e9p h LEU 2008Cb 0.14 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 3e9p h LEU 2008CO -0.02 -0.02 0.52 0.71 -0.34 0.00 0.00 178.44 179.30 3e9p h THR 2009N -0.43 1.01 -0.37 1.05 1.35 -1.31 0.15 112.91 114.36 3e9p h THR 2009Ca -0.03 -0.32 0.01 0.00 -0.55 0.00 0.00 66.41 65.52 3e9p h THR 2009Cb 0.33 -0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 66.72 3e9p h THR 2009CO 0.04 0.17 0.23 0.25 -0.25 0.00 0.00 175.52 175.97 3e9p h LEU 2010N 0.94 0.40 -0.29 3.87 5.85 -1.18 0.21 115.31 125.10 3e9p h LEU 2010Ca 0.38 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.06 3e9p h LEU 2010Cb 0.22 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3e9p h LEU 2010CO -0.19 0.29 0.02 -0.07 -0.34 0.00 0.00 178.44 178.15 3e9p h LEU 2011N 0.48 0.49 -0.86 2.25 3.38 -0.29 -2.30 115.31 118.45 3e9p h LEU 2011Ca 0.14 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 3e9p h LEU 2011Cb -0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3e9p h LEU 2011CO -0.04 0.66 -0.04 -0.07 0.09 0.00 0.00 178.44 179.03 3e9p h LEU 2012N 0.30 0.78 -0.56 1.67 3.38 -0.70 -2.19 115.31 118.00 3e9p h LEU 2012Ca 0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3e9p h LEU 2012Cb 0.40 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3e9p h LEU 2012CO 0.01 0.87 0.24 -0.09 0.09 0.00 0.00 178.44 179.56 3e9p h ARG 2013N 0.74 0.82 -0.59 1.13 9.65 -0.87 -0.82 114.38 124.45 3e9p h ARG 2013Ca 0.14 -0.14 -0.10 0.00 -1.10 0.00 0.00 59.98 58.77 3e9p h ARG 2013Cb 0.51 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.93 3e9p h ARG 2013CO 0.03 0.70 -0.04 0.00 2.80 0.00 0.00 179.97 183.46 3e9p h ALA 2014N 1.08 0.81 -0.64 2.80 0.00 -1.32 0.20 119.26 122.19 3e9p h ALA 2014Ca 0.19 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3e9p h ALA 2014Cb 0.18 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3e9p h ALA 2014CO -0.02 0.67 0.23 -0.07 0.00 0.00 0.00 179.25 180.06 3e9p h LEU 2015N 0.96 0.91 -0.36 0.00 3.38 -1.32 0.73 115.31 119.61 3e9p h LEU 2015Ca 0.16 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3e9p h LEU 2015Cb 0.60 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3e9p h LEU 2015CO 0.04 0.85 -0.18 0.50 0.09 0.00 0.00 178.44 179.74 3e9p h LYS 2016N 0.91 0.76 -0.01 1.13 3.64 -0.92 -2.43 116.57 119.66 3e9p h LYS 2016Ca 0.21 -0.34 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3e9p h LYS 2016Cb 0.25 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3e9p h LYS 2016CO -0.01 0.95 0.00 1.15 -2.27 0.00 0.00 179.45 179.27 3e9p h THR 2017N 0.55 1.17 -1.56 1.00 2.02 -0.50 -3.42 112.91 112.17 3e9p h THR 2017Ca 0.08 -0.51 -0.30 0.00 0.77 0.00 0.00 66.41 66.44 3e9p h THR 2017Cb 0.73 1.51 -0.25 0.00 -1.74 0.00 0.00 68.15 68.40 3e9p h THR 2017CO 0.05 0.13 -0.66 0.21 0.37 0.00 0.00 175.52 175.63 3e9p s ASN 2018N -5.42 -0.14 0.14 4.18 3.84 0.24 -5.05 114.94 112.73 3e9p s ASN 2018Ca -0.14 -1.94 -0.18 0.00 0.21 0.00 0.00 52.86 50.81 3e9p s ASN 2018Cb 0.04 1.01 0.03 0.00 -0.55 0.00 0.00 41.25 41.77 3e9p s ASN 2018CO 0.67 -0.14 1.70 -0.08 -2.79 0.00 0.00 177.10 176.46 3e9p h GLU 2019N 5.86 0.04 -0.49 0.43 4.81 -1.57 -0.66 114.58 123.01 3e9p h GLU 2019Ca 0.11 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 3e9p h GLU 2019Cb 1.05 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 3e9p h GLU 2019CO 0.15 0.03 -0.04 1.05 -0.73 0.00 0.00 179.01 179.48 3e9p h GLU 2020N 0.04 0.84 -0.17 1.92 4.11 -1.92 -0.77 114.58 118.62 3e9p h GLU 2020Ca 0.14 -0.25 -0.05 0.00 0.07 0.00 0.00 59.36 59.26 3e9p h GLU 2020Cb 0.19 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3e9p h GLU 2020CO -0.26 0.86 -0.10 0.77 0.07 0.00 0.00 179.01 180.35 3e9p h SER 2021N 0.77 0.39 -0.90 3.06 0.02 -1.89 -2.42 113.55 112.59 3e9p h SER 2021Ca 0.14 -0.43 0.05 0.00 -0.84 0.00 0.00 61.79 60.71 3e9p h SER 2021Cb 0.52 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.89 3e9p h SER 2021CO 0.03 0.74 0.58 0.00 -1.14 0.00 0.00 176.83 177.03 3e9p h ALA 2022N 0.67 1.21 0.00 3.77 0.00 -0.95 -1.50 119.26 122.46 3e9p h ALA 2022Ca 0.04 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3e9p h ALA 2022Cb 0.60 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3e9p h ALA 2022CO 0.03 0.39 -0.50 0.87 0.00 0.00 0.00 179.25 180.04 3e9p h LYS 2023N 1.09 0.00 0.03 0.00 1.57 -1.16 -1.94 116.57 116.16 3e9p h LYS 2023Ca 0.37 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.94 3e9p h LYS 2023Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3e9p h LYS 2023CO -0.14 0.50 -0.97 0.52 -0.57 0.00 0.00 179.45 178.79 3e9p h MET 2024N 0.00 0.19 -0.19 3.15 2.86 -0.97 -0.88 114.93 119.09 3e9p h MET 2024Ca -0.01 -0.24 0.03 0.00 -2.06 0.00 0.00 59.70 57.42 3e9p h MET 2024Cb 0.99 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 3e9p h MET 2024CO 0.07 1.02 0.02 0.82 1.06 0.00 0.00 176.91 179.89 3e9p h ILE 2025N 0.09 0.90 -0.07 -1.22 2.04 -1.12 -2.81 117.51 115.32 3e9p h ILE 2025Ca -0.06 -0.03 -0.12 0.00 1.00 0.00 0.00 64.86 65.65 3e9p h ILE 2025Cb 1.64 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 3e9p h ILE 2025CO 0.15 0.02 -0.51 -0.07 0.00 0.00 0.00 178.15 177.73 3e9p h LEU 2026N 0.09 0.20 -3.49 1.44 3.38 -1.35 -3.32 115.31 112.26 3e9p h LEU 2026Ca 0.09 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3e9p h LEU 2026Cb 0.09 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3e9p h LEU 2026CO -0.13 0.68 0.07 0.18 0.09 0.00 0.00 178.44 179.33 3e9p n LEU 2027N -3.94 5.03 -0.71 1.67 4.77 -0.34 -4.69 117.00 118.79 3e9p n LEU 2027Ca -0.02 -3.13 0.05 0.00 -0.03 0.00 0.00 56.01 52.88 3e9p n LEU 2027Cb 0.55 -0.65 0.15 0.00 -2.33 0.00 0.00 43.42 41.14 3e9p n LEU 2027CO 0.43 0.75 0.60 -1.20 -1.33 0.00 0.00 177.39 176.64 3e9p n SER 2028N -0.17 2.04 0.00 -1.43 7.64 -1.07 -4.30 113.62 116.33 3e9p n SER 2028Ca 0.30 -2.09 0.00 0.00 1.01 0.00 0.00 58.87 58.09 3e9p n SER 2028Cb 1.13 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 64.03 3e9p n SER 2028CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3e9p n ASP 2029N 0.41 2.60 0.00 6.43 -0.08 -1.26 -5.01 116.55 119.65 3e9p n ASP 2029Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 3e9p n ASP 2029Cb 0.36 0.47 0.00 0.00 2.34 0.00 0.00 41.12 44.29 3e9p n ASP 2029CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3e9p n PRO 2030N -0.88 0.00 -0.01 -0.67 -0.02 -1.26 -4.29 135.00 127.88 3e9p n PRO 2030Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 3e9p n PRO 2030Cb 0.05 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.40 3e9p n PRO 2030CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3e9p h THR 2031N 0.00 0.82 -3.33 3.45 2.02 -1.97 -3.42 112.91 110.48 3e9p h THR 2031Ca 0.00 -2.60 -0.63 0.00 0.77 0.00 0.00 66.41 63.94 3e9p h THR 2031Cb 0.00 2.37 -0.14 0.00 -1.74 0.00 0.00 68.15 68.64 3e9p h THR 2031CO 0.00 0.47 0.38 -0.63 0.37 0.00 0.00 175.52 176.11 3e9p s ILE 2032N -2.67 4.58 0.37 3.11 1.01 -1.26 -5.05 121.20 121.29 3e9p s ILE 2032Ca -0.04 0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.81 3e9p s ILE 2032Cb 0.08 -4.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.13 3e9p s ILE 2032CO 0.82 -0.93 0.47 0.42 0.00 0.00 0.00 174.94 175.73 3e9p s THR 2033N 3.44 3.56 -0.23 2.92 -4.23 -1.26 -4.76 115.64 115.07 3e9p s THR 2033Ca 0.26 -1.07 -0.07 0.00 -1.18 0.00 0.00 61.69 59.63 3e9p s THR 2033Cb -0.14 -3.22 -0.03 0.00 1.34 0.00 0.00 72.50 70.45 3e9p s THR 2033CO 0.18 -0.10 0.06 0.27 -0.54 0.00 0.00 174.62 174.50 3e9p s ILE 2034N -2.27 4.39 0.63 2.99 -5.25 -1.26 -0.67 121.20 119.77 3e9p s ILE 2034Ca 0.48 -0.15 -0.19 0.00 -0.99 0.00 0.00 60.65 59.80 3e9p s ILE 2034Cb -0.09 -3.03 -0.02 0.00 2.95 0.00 0.00 42.46 42.27 3e9p s ILE 2034CO 0.31 0.37 1.30 0.29 -1.79 0.00 0.00 174.94 175.42 3e9p n LYS 2035N 4.59 1.21 -0.17 0.37 4.76 -1.26 -4.88 118.16 122.78 3e9p n LYS 2035Ca -0.16 0.47 0.16 0.00 -2.87 0.00 0.00 58.31 55.91 3e9p n LYS 2035Cb 0.52 -2.54 0.51 0.00 -1.84 0.00 0.00 35.03 31.68 3e9p n LYS 2035CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3e9p h SER 2036N 0.68 0.37 -0.56 4.39 4.64 -1.98 0.71 113.55 121.80 3e9p h SER 2036Ca -0.51 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3e9p h SER 2036Cb 1.33 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3e9p h SER 2036CO 0.54 0.19 0.00 0.00 -0.87 0.00 0.00 176.83 176.69 3e9p n TYR 2037N -4.48 0.79 -4.12 4.77 4.11 -1.26 -4.96 117.16 112.01 3e9p n TYR 2037Ca 0.15 -0.38 -0.24 0.00 -0.00 0.00 0.00 57.90 57.42 3e9p n TYR 2037Cb 0.55 -0.02 -0.07 0.00 -0.00 0.00 0.00 39.34 39.80 3e9p n TYR 2037CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 3e9p s HIS 2038N -1.30 2.63 -0.07 -3.48 3.76 0.24 -4.86 115.29 112.21 3e9p s HIS 2038Ca 0.38 -0.52 0.09 0.00 -0.15 0.00 0.00 55.06 54.86 3e9p s HIS 2038Cb 0.20 -1.84 -0.14 0.00 1.11 0.00 0.00 32.58 31.91 3e9p s HIS 2038CO 0.25 0.24 0.10 1.28 -0.85 0.00 0.00 174.74 175.76 3e9p n LEU 2039N -1.20 0.00 -4.57 0.89 4.77 -1.26 -4.79 117.00 110.84 3e9p n LEU 2039Ca -0.02 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.73 3e9p n LEU 2039Cb 0.63 0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.80 3e9p n LEU 2039CO 0.45 0.16 -0.39 0.26 -1.33 0.00 0.00 177.39 176.54 3e9p s TRP 2040N -2.42 2.54 0.76 -1.77 0.52 -1.26 -4.89 118.94 112.42 3e9p s TRP 2040Ca -0.05 -0.26 -0.13 0.00 0.02 0.00 0.00 56.10 55.68 3e9p s TRP 2040Cb 0.04 -1.12 0.05 0.00 -1.15 0.00 0.00 33.47 31.29 3e9p s TRP 2040CO 0.42 0.65 1.14 -2.14 0.02 0.00 0.00 176.95 177.03 3e9p s PRO 2041N -3.55 2.14 -1.45 4.98 0.02 -1.26 -4.45 135.00 131.43 3e9p s PRO 2041Ca 0.30 1.45 -0.12 0.00 0.02 0.00 0.00 61.00 62.65 3e9p s PRO 2041Cb -0.06 -1.86 0.05 0.00 0.02 0.00 0.00 34.50 32.64 3e9p s PRO 2041CO 0.18 -1.77 2.29 0.43 -0.33 0.00 0.00 177.00 177.80 3e9p n SER 2042N -3.16 5.06 -4.78 2.53 7.64 0.16 -4.94 113.62 116.12 3e9p n SER 2042Ca 0.11 -2.86 -0.36 0.00 1.01 0.00 0.00 58.87 56.77 3e9p n SER 2042Cb 0.52 -1.60 -0.04 0.00 -1.01 0.00 0.00 64.21 62.08 3e9p n SER 2042CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3e9p s PHE 2043N 2.34 3.18 1.09 1.43 0.08 -1.26 -4.80 117.98 120.04 3e9p s PHE 2043Ca 0.50 1.62 -0.14 0.00 0.12 0.00 0.00 56.93 59.02 3e9p s PHE 2043Cb 0.14 -3.14 0.23 0.00 -0.57 0.00 0.00 43.02 39.68 3e9p s PHE 2043CO -0.07 -0.75 1.08 0.95 -0.10 0.00 0.00 175.22 176.33 3e9p s THR 2044N -1.70 1.90 0.35 0.64 -4.23 -1.26 -4.77 115.64 106.56 3e9p s THR 2044Ca 0.60 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.13 3e9p s THR 2044Cb -0.22 -2.42 0.26 0.00 1.34 0.00 0.00 72.50 71.47 3e9p s THR 2044CO 0.27 0.00 2.01 0.44 -0.54 0.00 0.00 174.62 176.80 3e9p h ASP 2045N -2.22 0.74 -0.27 3.99 5.19 -1.99 -0.73 116.42 121.12 3e9p h ASP 2045Ca -0.54 -0.02 -0.17 0.00 -0.62 0.00 0.00 57.03 55.69 3e9p h ASP 2045Cb 1.33 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.65 3e9p h ASP 2045CO 0.51 0.54 -0.48 -0.33 -3.12 0.00 0.00 179.24 176.36 3e9p h GLU 2046N 0.87 0.81 -0.14 3.56 3.07 -2.01 -2.89 114.58 117.86 3e9p h GLU 2046Ca 0.24 -0.50 -0.10 0.00 -0.50 0.00 0.00 59.36 58.49 3e9p h GLU 2046Cb -0.10 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 3e9p h GLU 2046CO -0.05 1.13 -0.36 1.96 -1.40 0.00 0.00 179.01 180.29 3e9p h GLN 2047N 0.57 0.28 -0.60 2.33 4.20 -1.85 -2.76 115.11 117.27 3e9p h GLN 2047Ca 0.02 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 3e9p h GLN 2047Cb 1.08 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.83 3e9p h GLN 2047CO 0.11 0.61 0.16 -1.49 -0.67 0.00 0.00 178.83 177.55 3e9p h TRP 2048N 0.24 0.94 -0.34 2.96 -0.00 -1.13 -1.52 115.95 117.10 3e9p h TRP 2048Ca 0.03 -0.09 0.02 0.00 -0.00 0.00 0.00 58.89 58.85 3e9p h TRP 2048Cb 0.75 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.16 29.61 3e9p h TRP 2048CO 0.01 0.77 0.18 0.82 -0.00 0.00 0.00 178.44 180.23 3e9p h ILE 2049N 0.88 1.01 -0.36 1.49 2.04 -1.27 -0.49 117.51 120.81 3e9p h ILE 2049Ca 0.19 -0.13 -0.09 0.00 1.00 0.00 0.00 64.86 65.83 3e9p h ILE 2049Cb 0.29 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3e9p h ILE 2049CO -0.00 0.07 -0.13 0.74 0.00 0.00 0.00 178.15 178.82 3e9p h THR 2050N 0.38 1.28 -0.51 -0.27 2.02 -1.42 -2.79 112.91 111.60 3e9p h THR 2050Ca 0.14 -1.23 0.02 0.00 0.77 0.00 0.00 66.41 66.11 3e9p h THR 2050Cb 0.03 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3e9p h THR 2050CO -0.08 0.41 0.30 0.40 0.37 0.00 0.00 175.52 176.92 3e9p h ILE 2051N 0.51 1.05 -0.05 3.11 1.08 -1.09 -1.34 117.51 120.79 3e9p h ILE 2051Ca 0.09 -0.21 -0.10 0.00 -0.39 0.00 0.00 64.86 64.25 3e9p h ILE 2051Cb 0.66 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 3e9p h ILE 2051CO 0.04 0.11 -0.42 -0.33 -0.69 0.00 0.00 178.15 176.86 3e9p h GLU 2052N 0.60 0.12 0.00 2.37 5.08 -1.07 -0.05 114.58 121.64 3e9p h GLU 2052Ca 0.21 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 3e9p h GLU 2052Cb 0.02 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3e9p h GLU 2052CO -0.09 0.52 -0.55 0.66 -1.00 0.00 0.00 179.01 178.55 3e9p h SER 2053N 0.10 0.00 0.13 1.42 4.64 -1.23 -1.24 113.55 117.37 3e9p h SER 2053Ca 0.01 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 3e9p h SER 2053Cb 0.79 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.89 3e9p h SER 2053CO 0.06 0.55 -0.97 1.56 -0.87 0.00 0.00 176.83 177.16 3e9p h GLN 2054N 0.00 0.59 -0.47 4.77 4.20 -0.79 -0.91 115.11 122.50 3e9p h GLN 2054Ca -0.01 -0.61 -0.04 0.00 0.06 0.00 0.00 58.65 58.05 3e9p h GLN 2054Cb 1.21 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 29.14 3e9p h GLN 2054CO 0.07 1.22 0.12 0.52 -0.67 0.00 0.00 178.83 180.10 3e9p h MET 2055N 0.34 0.75 -0.49 1.46 2.86 -1.03 -2.23 114.93 116.58 3e9p h MET 2055Ca -0.10 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 3e9p h MET 2055Cb 1.61 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 33.15 3e9p h MET 2055CO 0.18 0.73 0.23 -0.09 1.06 0.00 0.00 176.91 179.02 3e9p h ARG 2056N 0.63 0.71 -0.67 1.72 2.43 -1.21 -1.94 114.38 116.05 3e9p h ARG 2056Ca 0.15 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3e9p h ARG 2056Cb 0.31 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3e9p h ARG 2056CO 0.00 0.61 0.40 0.22 -1.51 0.00 0.00 179.97 179.69 3e9p h ASP 2057N 0.65 0.81 0.00 -3.80 3.58 -1.17 -0.17 116.42 116.33 3e9p h ASP 2057Ca 0.17 -0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.58 3e9p h ASP 2057Cb 0.14 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 40.94 3e9p h ASP 2057CO -0.02 0.64 -0.24 0.25 -2.88 0.00 0.00 179.24 176.99 3e9p h LEU 2058N 0.91 -0.72 -0.25 2.28 6.46 -1.16 0.20 115.31 123.03 3e9p h LEU 2058Ca 0.24 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 58.08 3e9p h LEU 2058Cb -0.01 0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 3e9p h LEU 2058CO -0.04 -0.31 0.08 0.40 -0.62 0.00 0.00 178.44 177.94 3e9p h ILE 2059N -0.38 1.20 -0.29 4.05 2.04 -1.23 -2.41 117.51 120.49 3e9p h ILE 2059Ca 0.06 -0.64 -0.14 0.00 1.00 0.00 0.00 64.86 65.15 3e9p h ILE 2059Cb 0.46 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 3e9p h ILE 2059CO -0.22 0.21 -0.38 -0.07 0.00 0.00 0.00 178.15 177.69 3e9p h LEU 2060N 0.24 0.70 -0.82 1.44 4.07 -0.90 -1.20 115.31 118.84 3e9p h LEU 2060Ca 0.08 -0.31 -0.10 0.00 0.08 0.00 0.00 57.88 57.63 3e9p h LEU 2060Cb 0.25 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 3e9p h LEU 2060CO -0.00 1.00 -0.22 0.74 -1.08 0.00 0.00 178.44 178.88 3e9p h THR 2061N 0.55 1.27 0.00 0.22 2.02 -0.60 0.26 112.91 116.62 3e9p h THR 2061Ca 0.05 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.95 3e9p h THR 2061Cb 0.90 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 3e9p h THR 2061CO 0.08 0.42 0.00 -0.08 0.37 0.00 0.00 175.52 176.31 3e9p h GLU 2062N 0.56 0.00 0.04 6.66 4.81 -1.27 -2.23 114.58 123.15 3e9p h GLU 2062Ca 0.08 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3e9p h GLU 2062Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3e9p h GLU 2062CO 0.05 0.00 -0.28 -0.92 -0.73 0.00 0.00 179.01 177.13 3e9p h TYR 2063N 0.00 0.14 0.00 0.92 3.20 -0.84 -3.20 116.97 117.19 3e9p h TYR 2063Ca 0.00 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.76 3e9p h TYR 2063Cb 0.86 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.12 3e9p h TYR 2063CO 0.00 1.11 0.00 0.78 -1.64 0.00 0.00 178.16 178.41 3e9p h GLY 2064N -0.82 0.00 0.63 1.82 0.00 -0.47 -0.49 103.07 103.73 3e9p h GLY 2064Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3e9p h GLY 2064CO 0.03 0.00 -0.88 0.54 0.00 0.00 0.00 176.54 176.23 3e9p n ARG 2065N -2.43 0.18 -0.09 4.80 1.74 -0.84 -3.11 116.66 116.90 3e9p n ARG 2065Ca -0.01 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 3e9p n ARG 2065Cb 0.10 -1.56 -0.13 0.00 -1.02 0.00 0.00 32.46 29.85 3e9p n ARG 2065CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3e9p n LYS 2066N -1.79 0.68 -0.04 5.56 4.81 -0.42 -4.63 118.16 122.34 3e9p n LYS 2066Ca 0.03 0.14 0.02 0.00 -0.87 0.00 0.00 58.31 57.63 3e9p n LYS 2066Cb 0.40 -1.57 0.04 0.00 0.02 0.00 0.00 35.03 33.91 3e9p n LYS 2066CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3e9p n TYR 2067N -3.15 0.10 -3.89 5.64 4.02 -0.33 -5.03 117.16 114.51 3e9p n TYR 2067Ca -0.38 -0.34 -0.32 0.00 -0.01 0.00 0.00 57.90 56.84 3e9p n TYR 2067Cb 1.05 -0.03 0.01 0.00 -0.02 0.00 0.00 39.34 40.35 3e9p n TYR 2067CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3e9p n ASN 2068N -0.07 -3.01 -4.19 7.72 4.05 -1.18 -4.99 115.26 113.60 3e9p n ASN 2068Ca 0.03 -1.09 -0.24 0.00 0.45 0.00 0.00 54.58 53.74 3e9p n ASN 2068Cb 0.24 -2.82 -0.14 0.00 1.23 0.00 0.00 39.78 38.28 3e9p n ASN 2068CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3e9p s VAL 2069N -3.70 1.40 -0.46 3.44 1.01 -1.24 -5.08 120.40 115.75 3e9p s VAL 2069Ca 0.29 -0.99 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 3e9p s VAL 2069Cb -0.12 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 3e9p s VAL 2069CO 0.90 0.20 1.88 0.21 0.00 0.00 0.00 175.10 178.30 3e9p s ASN 2070N -0.91 5.49 0.00 3.32 2.47 -1.26 -4.63 114.94 119.42 3e9p s ASN 2070Ca 0.05 0.88 0.25 0.00 0.42 0.00 0.00 52.86 54.46 3e9p s ASN 2070Cb -0.08 -2.52 1.41 0.00 -1.45 0.00 0.00 41.25 38.61 3e9p s ASN 2070CO 0.01 -2.10 1.83 2.30 -3.72 0.00 0.00 177.10 175.42 3e9p n ILE 2071N 7.39 0.06 -3.36 -5.21 -6.64 -1.26 -4.06 119.36 106.27 3e9p n ILE 2071Ca 0.23 0.02 -0.28 0.00 -1.77 0.00 0.00 62.75 60.94 3e9p n ILE 2071Cb 0.50 -0.63 -0.03 0.00 -1.44 0.00 0.00 39.64 38.04 3e9p n ILE 2071CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 3e9p s SER 2072N -2.13 6.44 0.00 7.28 0.01 -1.26 -3.97 113.70 120.06 3e9p s SER 2072Ca 0.34 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.29 3e9p s SER 2072Cb 0.17 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.26 3e9p s SER 2072CO 0.30 -0.18 0.00 0.00 0.41 0.00 0.00 173.24 173.77 3e9p n ALA 2073N -0.91 0.00 -2.00 1.44 0.00 -1.26 -4.95 120.51 112.83 3e9p n ALA 2073Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 3e9p n ALA 2073Cb 0.54 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 3e9p n ALA 2073CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3e9p s LEU 2074N 0.00 4.37 0.51 0.00 2.96 -1.25 -4.99 118.68 120.28 3e9p s LEU 2074Ca 0.00 2.53 -0.20 0.00 -0.22 0.00 0.00 54.13 56.24 3e9p s LEU 2074Cb 0.00 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 43.02 3e9p s LEU 2074CO 0.00 -0.76 1.09 -0.89 -1.32 0.00 0.00 176.35 174.47 3e9p s THR 2075N 1.00 3.44 0.25 3.68 2.01 -1.26 -4.86 115.64 119.90 3e9p s THR 2075Ca 0.67 0.91 -0.03 0.00 0.31 0.00 0.00 61.69 63.55 3e9p s THR 2075Cb -0.41 -3.38 0.24 0.00 0.01 0.00 0.00 72.50 68.96 3e9p s THR 2075CO 0.32 -0.18 1.84 1.56 -0.69 0.00 0.00 174.62 177.47 3e9p h GLN 2076N 1.43 0.94 -0.45 4.92 1.08 -1.99 0.17 115.11 121.20 3e9p h GLN 2076Ca -0.50 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 56.68 3e9p h GLN 2076Cb 1.24 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 28.43 3e9p h GLN 2076CO 0.58 0.62 0.24 1.15 -0.95 0.00 0.00 178.83 180.47 3e9p h THR 2077N 0.97 0.99 -0.83 -0.54 2.02 -1.99 0.16 112.91 113.70 3e9p h THR 2077Ca 0.41 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 3e9p h THR 2077Cb 0.28 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 3e9p h THR 2077CO -0.21 0.09 0.41 -0.33 0.37 0.00 0.00 175.52 175.85 3e9p h GLU 2078N 0.48 1.17 -0.23 6.66 5.08 -1.66 -0.05 114.58 126.03 3e9p h GLU 2078Ca 0.19 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3e9p h GLU 2078Cb 0.07 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3e9p h GLU 2078CO -0.12 0.89 0.04 0.82 -1.00 0.00 0.00 179.01 179.63 3e9p h ILE 2079N 1.17 1.23 -0.88 3.13 2.04 -0.72 -1.76 117.51 121.71 3e9p h ILE 2079Ca 0.29 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 65.42 3e9p h ILE 2079Cb 0.09 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 3e9p h ILE 2079CO -0.04 0.24 0.57 0.50 0.00 0.00 0.00 178.15 179.42 3e9p h LYS 2080N 0.19 1.05 -0.71 2.37 1.63 -0.66 -2.10 116.57 118.34 3e9p h LYS 2080Ca 0.07 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.76 3e9p h LYS 2080Cb 0.33 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 3e9p h LYS 2080CO 0.01 0.70 0.25 -0.44 -3.45 0.00 0.00 179.45 176.52 3e9p h ASP 2081N 1.09 0.99 0.10 4.20 5.19 -0.82 -1.14 116.42 126.02 3e9p h ASP 2081Ca 0.36 -0.16 -0.03 0.00 -0.62 0.00 0.00 57.03 56.57 3e9p h ASP 2081Cb 0.04 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 3e9p h ASP 2081CO -0.13 0.90 -0.13 0.40 -3.12 0.00 0.00 179.24 177.16 3e9p h ILE 2082N 1.04 1.12 0.09 0.35 2.04 -0.77 -2.24 117.51 119.14 3e9p h ILE 2082Ca 0.23 -0.56 -0.13 0.00 1.00 0.00 0.00 64.86 65.41 3e9p h ILE 2082Cb 0.24 1.23 0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3e9p h ILE 2082CO -0.01 0.17 -0.55 0.40 0.00 0.00 0.00 178.15 178.15 3e9p h ILE 2083N 0.07 1.60 0.00 -0.67 2.04 -0.71 -3.33 117.51 116.52 3e9p h ILE 2083Ca 0.02 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 63.42 3e9p h ILE 2083Cb 0.28 3.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.60 3e9p h ILE 2083CO 0.02 0.68 0.00 -0.07 0.00 0.00 0.00 178.15 178.78 3e9p h LEU 2084N -0.56 0.00 0.00 1.44 3.38 -1.28 -3.44 115.31 114.85 3e9p h LEU 2084Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3e9p h LEU 2084Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 3e9p h LEU 2084CO 0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.24 3e9p n GLY 2085N 0.89 -1.81 1.26 0.83 0.00 -0.84 -2.29 105.19 103.22 3e9p n GLY 2085Ca 0.04 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3e9p n GLY 2085CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3e9p n GLN 2086N 0.00 0.00 0.00 1.61 -0.06 -1.23 -4.48 117.38 113.22 3e9p n GLN 2086Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3e9p n GLN 2086Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3e9p n GLN 2086CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95