#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3im1 n ALA 1840N 0.00 -2.96 -2.09 4.31 0.00 -1.26 -4.97 120.51 113.54 3im1 n ALA 1840Ca 0.00 1.05 -0.42 0.00 0.00 0.00 0.00 53.44 54.07 3im1 n ALA 1840Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 19.45 15.89 3im1 n ALA 1840CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3im1 s THR 1841N -2.64 3.24 -0.24 0.00 2.01 -1.26 -4.99 115.64 111.76 3im1 s THR 1841Ca 0.22 0.94 -0.29 0.00 0.31 0.00 0.00 61.69 62.87 3im1 s THR 1841Cb -0.06 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 3im1 s THR 1841CO 0.76 0.11 1.30 -0.70 -0.69 0.00 0.00 174.62 175.39 3im1 s GLU 1842N 0.51 4.04 -0.22 4.92 2.12 -1.26 -5.01 118.70 123.80 3im1 s GLU 1842Ca 0.61 1.42 -0.15 0.00 0.36 0.00 0.00 54.97 57.21 3im1 s GLU 1842Cb -0.37 -3.84 -0.04 0.00 0.26 0.00 0.00 34.13 30.14 3im1 s GLU 1842CO 0.34 -0.96 0.37 0.42 -0.54 0.00 0.00 175.26 174.89 3im1 s ILE 1843N 4.05 5.21 -0.55 -3.70 -1.09 -1.26 -4.97 121.20 118.89 3im1 s ILE 1843Ca 0.56 0.63 0.04 0.00 -2.23 0.00 0.00 60.65 59.65 3im1 s ILE 1843Cb -0.19 -3.70 0.15 0.00 -1.58 0.00 0.00 42.46 37.14 3im1 s ILE 1843CO 0.20 0.24 0.35 -0.63 -1.23 0.00 0.00 174.94 173.86 3im1 s ILE 1844N 1.45 2.03 -0.08 2.92 1.01 -1.26 -4.98 121.20 122.30 3im1 s ILE 1844Ca 0.17 -3.34 0.31 0.00 0.00 0.00 0.00 60.65 57.79 3im1 s ILE 1844Cb -0.15 -2.38 0.36 0.00 0.01 0.00 0.00 42.46 40.30 3im1 s ILE 1844CO 0.08 -0.96 1.90 0.77 0.00 0.00 0.00 174.94 176.73 3im1 h SER 1845N 6.07 0.00 -0.53 3.58 4.64 -1.95 -2.89 113.55 122.46 3im1 h SER 1845Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3im1 h SER 1845Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3im1 h SER 1845CO 0.59 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.90 3im1 n THR 1846N -2.89 1.74 0.15 2.95 -2.24 -1.26 -4.13 114.28 108.59 3im1 n THR 1846Ca 0.01 -1.27 -0.13 0.00 -2.27 0.00 0.00 64.05 60.38 3im1 n THR 1846Cb 0.31 0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.62 3im1 n THR 1846CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3im1 h LEU 1847N 3.31 -0.46 0.00 3.22 5.85 -1.73 -3.36 115.31 122.14 3im1 h LEU 1847Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3im1 h LEU 1847Cb 1.31 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.49 3im1 h LEU 1847CO 0.18 -0.27 -0.05 -1.20 -0.34 0.00 0.00 178.44 176.76 3im1 n SER 1848N -5.30 0.25 -3.99 1.25 7.64 -1.26 -1.90 113.62 110.31 3im1 n SER 1848Ca -0.08 -0.40 -0.32 0.00 1.01 0.00 0.00 58.87 59.08 3im1 n SER 1848Cb 0.22 0.85 -0.10 0.00 -1.01 0.00 0.00 64.21 64.17 3im1 n SER 1848CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3im1 s ASN 1849N -0.90 5.36 0.57 6.43 0.01 -1.26 -4.88 114.94 120.27 3im1 s ASN 1849Ca 0.00 -3.82 -0.17 0.00 -0.71 0.00 0.00 52.86 48.16 3im1 s ASN 1849Cb 0.00 -1.76 -0.05 0.00 0.41 0.00 0.00 41.25 39.85 3im1 s ASN 1849CO 0.00 -0.12 1.06 -0.83 -1.51 0.00 0.00 177.10 175.70 3im1 s GLY 1850N -0.91 2.25 0.73 0.66 0.00 -1.26 -4.31 107.32 104.49 3im1 s GLY 1850Ca 0.26 0.48 -0.12 0.00 0.00 0.00 0.00 44.72 45.34 3im1 s GLY 1850CO -0.15 0.80 1.10 1.08 0.00 0.00 0.00 173.10 175.93 3im1 s LEU 1851N -4.23 3.17 -0.32 0.66 1.43 -0.73 -4.12 118.68 114.52 3im1 s LEU 1851Ca 0.65 1.91 -0.19 0.00 -1.03 0.00 0.00 54.13 55.47 3im1 s LEU 1851Cb -0.17 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.51 3im1 s LEU 1851CO 0.32 -1.92 0.56 -0.63 0.23 0.00 0.00 176.35 174.92 3im1 s ILE 1852N -2.67 4.99 0.28 -0.59 1.09 -1.26 0.12 121.20 123.16 3im1 s ILE 1852Ca 0.64 0.59 -0.29 0.00 -1.10 0.00 0.00 60.65 60.49 3im1 s ILE 1852Cb -0.19 -3.96 -0.10 0.00 -1.06 0.00 0.00 42.46 37.15 3im1 s ILE 1852CO 0.50 -0.16 1.38 0.00 -0.10 0.00 0.00 174.94 176.57 3im1 s ALA 1853N 2.48 3.57 0.20 9.38 0.00 -1.26 -4.94 121.76 131.19 3im1 s ALA 1853Ca 0.21 1.30 -0.32 0.00 0.00 0.00 0.00 51.96 53.16 3im1 s ALA 1853Cb -0.15 -3.53 -0.12 0.00 0.00 0.00 0.00 23.12 19.33 3im1 s ALA 1853CO 0.13 -0.71 1.74 0.45 0.00 0.00 0.00 175.76 177.36 3im1 s SER 1854N 0.02 6.39 0.18 0.00 0.15 -1.26 -4.93 113.70 114.24 3im1 s SER 1854Ca 0.55 2.85 -0.30 0.00 0.70 0.00 0.00 55.95 59.75 3im1 s SER 1854Cb -0.41 -2.59 -0.08 0.00 -1.71 0.00 0.00 66.02 61.23 3im1 s SER 1854CO 0.48 -0.98 1.05 -2.28 1.20 0.00 0.00 173.24 172.71 3im1 s HIS 1855N 1.41 3.68 0.12 3.44 5.04 -1.26 -4.99 115.29 122.73 3im1 s HIS 1855Ca 0.76 1.69 -0.17 0.00 -1.54 0.00 0.00 55.06 55.79 3im1 s HIS 1855Cb -0.49 -3.20 0.04 0.00 0.04 0.00 0.00 32.58 28.97 3im1 s HIS 1855CO 0.33 -0.32 0.44 1.52 -2.34 0.00 0.00 174.74 174.37 3im1 s TYR 1856N -0.40 -0.27 -0.14 3.88 1.13 -1.26 -5.15 117.35 115.13 3im1 s TYR 1856Ca 0.47 -0.01 -0.05 0.00 -1.41 0.00 0.00 57.07 56.08 3im1 s TYR 1856Cb -0.28 0.31 -0.03 0.00 -1.10 0.00 0.00 41.96 40.85 3im1 s TYR 1856CO 0.34 -0.72 0.02 0.20 -2.51 0.00 0.00 175.55 172.88 3im1 s GLY 1857N -2.72 1.84 0.22 5.49 0.00 -1.26 -5.01 107.32 105.89 3im1 s GLY 1857Ca 0.02 -0.78 -0.32 0.00 0.00 0.00 0.00 44.72 43.64 3im1 s GLY 1857CO -0.11 -0.18 1.50 -0.62 0.00 0.00 0.00 173.10 173.68 3im1 n VAL 1858N 3.06 0.66 -2.17 1.40 0.31 -1.26 -4.94 118.33 115.39 3im1 n VAL 1858Ca -0.18 -0.16 -0.35 0.00 -0.01 0.00 0.00 64.34 63.64 3im1 n VAL 1858Cb 0.53 -1.58 0.01 0.00 -0.91 0.00 0.00 33.84 31.89 3im1 n VAL 1858CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3im1 s SER 1859N 0.53 5.55 0.40 4.52 1.04 -1.26 -4.91 113.70 119.57 3im1 s SER 1859Ca 0.71 2.26 0.07 0.00 0.48 0.00 0.00 55.95 59.47 3im1 s SER 1859Cb -0.63 -2.59 0.83 0.00 0.10 0.00 0.00 66.02 63.73 3im1 s SER 1859CO 0.45 -1.34 2.04 0.15 0.98 0.00 0.00 173.24 175.53 3im1 h PHE 1860N 1.13 0.57 -0.48 5.02 3.57 -1.99 -1.62 116.94 123.14 3im1 h PHE 1860Ca -0.50 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.08 3im1 h PHE 1860Cb 1.27 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.77 3im1 h PHE 1860CO 0.50 0.35 0.16 0.35 -2.23 0.00 0.00 178.31 177.43 3im1 h PHE 1861N 0.61 0.27 -0.44 0.41 3.57 -1.99 0.89 116.94 120.26 3im1 h PHE 1861Ca 0.18 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 3im1 h PHE 1861Cb -0.01 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3im1 h PHE 1861CO -0.00 0.08 0.02 1.15 -2.23 0.00 0.00 178.31 177.33 3im1 h THR 1862N 0.32 1.26 -0.47 4.41 2.02 -1.76 -1.17 112.91 117.52 3im1 h THR 1862Ca 0.23 -1.01 0.03 0.00 0.77 0.00 0.00 66.41 66.43 3im1 h THR 1862Cb 0.25 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 3im1 h THR 1862CO -0.25 0.35 0.26 0.40 0.37 0.00 0.00 175.52 176.65 3im1 h ILE 1863N 0.62 1.01 -0.36 3.11 2.04 -0.83 0.80 117.51 123.90 3im1 h ILE 1863Ca 0.13 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.85 3im1 h ILE 1863Cb 0.47 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3im1 h ILE 1863CO 0.02 0.09 0.12 1.56 0.00 0.00 0.00 178.15 179.95 3im1 h GLN 1864N 0.52 0.26 -0.18 2.37 4.20 -0.62 -0.32 115.11 121.33 3im1 h GLN 1864Ca 0.20 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.92 3im1 h GLN 1864Cb 0.06 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3im1 h GLN 1864CO -0.11 0.17 0.03 0.77 -0.67 0.00 0.00 178.83 179.02 3im1 h SER 1865N 0.27 -0.01 -0.43 1.46 0.02 -0.74 -1.61 113.55 112.50 3im1 h SER 1865Ca 0.16 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3im1 h SER 1865Cb 0.14 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3im1 h SER 1865CO -0.17 0.02 0.18 -0.26 -1.14 0.00 0.00 176.83 175.46 3im1 h PHE 1866N 0.10 0.66 -0.66 3.45 -1.00 -0.62 -2.08 116.94 116.78 3im1 h PHE 1866Ca 0.08 -0.05 0.06 0.00 2.81 0.00 0.00 57.97 60.87 3im1 h PHE 1866Cb 0.08 -0.20 -0.05 0.00 3.61 0.00 0.00 35.95 39.39 3im1 h PHE 1866CO -0.14 0.57 0.37 0.28 -1.61 0.00 0.00 178.31 177.77 3im1 h VAL 1867N 0.56 0.97 -0.86 -0.55 2.07 -0.91 -0.61 116.25 116.92 3im1 h VAL 1867Ca 0.14 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3im1 h VAL 1867Cb 0.18 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 3im1 h VAL 1867CO -0.01 0.12 0.57 -1.28 0.02 0.00 0.00 177.57 176.99 3im1 h SER 1868N 0.68 0.97 0.79 0.57 0.87 -0.96 -3.25 113.55 113.23 3im1 h SER 1868Ca 0.29 -0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.68 3im1 h SER 1868Cb 0.17 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3im1 h SER 1868CO -0.18 0.70 -1.30 0.28 -0.53 0.00 0.00 176.83 175.80 3im1 h SER 1869N 1.15 0.00 -3.39 6.23 0.02 -0.80 -3.47 113.55 113.28 3im1 h SER 1869Ca 0.32 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.75 3im1 h SER 1869Cb -0.10 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3im1 h SER 1869CO -0.07 0.51 -0.09 -0.76 -1.14 0.00 0.00 176.83 175.27 3im1 s LEU 1870N -5.79 4.09 0.31 5.07 1.43 -0.29 -5.02 118.68 118.47 3im1 s LEU 1870Ca -0.02 0.88 -0.08 0.00 -1.03 0.00 0.00 54.13 53.88 3im1 s LEU 1870Cb 0.09 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.63 3im1 s LEU 1870CO 0.80 -0.15 0.50 -0.94 0.23 0.00 0.00 176.35 176.79 3im1 s SER 1871N -2.72 0.40 0.00 2.29 1.04 -1.26 -4.93 113.70 108.52 3im1 s SER 1871Ca 0.47 -1.23 0.09 0.00 0.48 0.00 0.00 55.95 55.76 3im1 s SER 1871Cb -0.11 0.64 0.44 0.00 0.10 0.00 0.00 66.02 67.09 3im1 s SER 1871CO 0.25 -1.26 1.25 -0.46 0.98 0.00 0.00 173.24 174.00 3im1 n ASN 1872N -0.97 0.00 -0.55 7.02 0.23 -1.26 -2.09 115.26 117.64 3im1 n ASN 1872Ca -0.01 0.34 0.06 0.00 -0.53 0.00 0.00 54.58 54.45 3im1 n ASN 1872Cb 0.62 -0.40 0.07 0.00 -2.08 0.00 0.00 39.78 37.98 3im1 n ASN 1872CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3im1 n THR 1873N -1.40 0.16 -1.66 5.53 -2.24 -1.26 -4.76 114.28 108.63 3im1 n THR 1873Ca 0.03 -0.58 -0.45 0.00 -2.27 0.00 0.00 64.05 60.78 3im1 n THR 1873Cb 0.09 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.44 3im1 n THR 1873CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3im1 n SER 1874N 0.71 2.69 -4.99 3.42 7.64 -0.89 -5.01 113.62 117.20 3im1 n SER 1874Ca 0.08 1.13 -0.19 0.00 1.01 0.00 0.00 58.87 60.91 3im1 n SER 1874Cb 0.34 -1.41 0.03 0.00 -1.01 0.00 0.00 64.21 62.16 3im1 n SER 1874CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3im1 s THR 1875N 0.10 2.79 0.16 0.44 -4.23 -1.26 -4.93 115.64 108.69 3im1 s THR 1875Ca 0.70 -0.88 -0.18 0.00 -1.18 0.00 0.00 61.69 60.16 3im1 s THR 1875Cb -0.67 -2.91 0.06 0.00 1.34 0.00 0.00 72.50 70.32 3im1 s THR 1875CO 0.48 0.00 1.67 0.25 -0.54 0.00 0.00 174.62 176.48 3im1 h LEU 1876N 0.37 -0.41 -0.32 4.79 6.46 -1.95 0.26 115.31 124.52 3im1 h LEU 1876Ca -0.40 0.11 0.06 0.00 -0.12 0.00 0.00 57.88 57.54 3im1 h LEU 1876Cb 1.29 0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 41.40 3im1 h LEU 1876CO 0.47 -0.15 -0.06 0.50 -0.62 0.00 0.00 178.44 178.58 3im1 h LYS 1877N -0.05 0.02 -0.53 1.25 3.64 -2.00 -0.26 116.57 118.66 3im1 h LYS 1877Ca 0.17 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 3im1 h LYS 1877Cb 0.30 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 3im1 h LYS 1877CO -0.37 0.02 0.19 -0.91 -2.27 0.00 0.00 179.45 176.10 3im1 h ASN 1878N 0.02 0.19 -0.64 4.20 -0.26 -1.77 -1.64 115.58 115.68 3im1 h ASN 1878Ca 0.15 0.06 -0.06 0.00 -0.56 0.00 0.00 56.30 55.90 3im1 h ASN 1878Cb 0.23 0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.51 3im1 h ASN 1878CO -0.31 0.13 0.17 0.24 -1.06 0.00 0.00 177.43 176.60 3im1 h MET 1879N 0.37 1.05 -0.46 0.81 2.86 0.15 0.40 114.93 120.10 3im1 h MET 1879Ca 0.26 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 3im1 h MET 1879Cb 0.28 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3im1 h MET 1879CO -0.26 0.92 0.12 1.25 1.06 0.00 0.00 176.91 180.00 3im1 h LEU 1880N 1.00 0.69 0.10 1.22 5.85 -0.78 -0.21 115.31 123.18 3im1 h LEU 1880Ca 0.21 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3im1 h LEU 1880Cb 0.34 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3im1 h LEU 1880CO -0.00 0.73 -0.13 0.22 -0.34 0.00 0.00 178.44 178.93 3im1 h TYR 1881N 0.61 -0.33 -0.32 1.25 3.20 -0.99 -1.89 116.97 118.50 3im1 h TYR 1881Ca 0.14 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.08 3im1 h TYR 1881Cb 0.31 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.66 3im1 h TYR 1881CO 0.02 -0.19 -0.04 0.28 -1.64 0.00 0.00 178.16 176.59 3im1 h VAL 1882N -0.27 0.73 -0.97 1.81 2.07 -0.73 -1.23 116.25 117.65 3im1 h VAL 1882Ca 0.01 -0.02 0.17 0.00 0.82 0.00 0.00 66.70 67.69 3im1 h VAL 1882Cb 0.27 0.67 -0.09 0.00 -1.52 0.00 0.00 31.29 30.62 3im1 h VAL 1882CO -0.05 0.01 0.61 0.25 0.02 0.00 0.00 177.57 178.40 3im1 h LEU 1883N 0.05 0.74 -1.24 2.57 7.12 -0.88 -1.39 115.31 122.28 3im1 h LEU 1883Ca 0.15 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.23 3im1 h LEU 1883Cb 0.22 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.28 3im1 h LEU 1883CO -0.29 0.32 0.00 0.77 -0.13 0.00 0.00 178.44 179.11 3im1 h SER 1884N 0.75 0.00 0.20 1.25 4.64 -0.39 -3.00 113.55 117.01 3im1 h SER 1884Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3im1 h SER 1884Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3im1 h SER 1884CO -0.29 0.00 -0.24 0.35 -0.87 0.00 0.00 176.83 175.78 3im1 n THR 1885N -2.57 0.00 -1.64 2.95 -2.24 -0.52 -4.19 114.28 106.07 3im1 n THR 1885Ca 0.01 -0.15 -0.48 0.00 -2.27 0.00 0.00 64.05 61.16 3im1 n THR 1885Cb 0.21 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 68.84 3im1 n THR 1885CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3im1 n ALA 1886N -0.53 0.48 0.31 6.98 0.00 -1.13 -4.86 120.51 121.76 3im1 n ALA 1886Ca 0.13 0.47 0.20 0.00 0.00 0.00 0.00 53.44 54.24 3im1 n ALA 1886Cb 0.35 -2.24 0.97 0.00 0.00 0.00 0.00 19.45 18.54 3im1 n ALA 1886CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3im1 h VAL 1887N 3.46 0.03 -0.02 0.00 -1.51 -1.93 -1.85 116.25 114.42 3im1 h VAL 1887Ca -0.46 -0.24 0.01 0.00 -1.23 0.00 0.00 66.70 64.77 3im1 h VAL 1887Cb 1.29 1.24 -0.00 0.00 -2.13 0.00 0.00 31.29 31.68 3im1 h VAL 1887CO 0.84 0.01 0.07 -0.33 -1.23 0.00 0.00 177.57 176.92 3im1 h GLU 1888N 0.00 0.00 0.00 5.19 3.07 -1.98 -1.56 114.58 119.29 3im1 h GLU 1888Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3im1 h GLU 1888Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3im1 h GLU 1888CO 0.00 0.00 0.00 1.19 -1.40 0.00 0.00 179.01 178.80 3im1 n PHE 1889N -3.31 0.00 0.30 4.33 3.72 -0.70 -3.42 117.46 118.38 3im1 n PHE 1889Ca -0.02 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.55 3im1 n PHE 1889Cb 0.15 0.00 0.84 0.00 -0.94 0.00 0.00 39.48 39.53 3im1 n PHE 1889CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 3im1 h GLU 1890N 0.00 0.00 -0.02 -1.08 4.11 -1.49 -0.13 114.58 115.97 3im1 h GLU 1890Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3im1 h GLU 1890Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3im1 h GLU 1890CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 177.95 3im1 n SER 1891N -2.79 0.40 -4.63 3.06 3.41 -1.22 -4.80 113.62 107.05 3im1 n SER 1891Ca -0.01 -1.27 -0.41 0.00 -0.26 0.00 0.00 58.87 56.93 3im1 n SER 1891Cb 0.15 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 3im1 n SER 1891CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3im1 s VAL 1892N -1.98 4.97 0.47 -3.33 1.01 -0.06 -5.05 120.40 116.43 3im1 s VAL 1892Ca 0.39 1.21 -0.23 0.00 0.00 0.00 0.00 61.98 63.35 3im1 s VAL 1892Cb 0.19 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 3im1 s VAL 1892CO 0.31 0.03 1.23 -2.16 0.00 0.00 0.00 175.10 174.51 3im1 s PRO 1893N 2.45 3.64 -0.16 2.72 0.04 -1.26 -4.99 135.00 137.44 3im1 s PRO 1893Ca 0.28 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.28 3im1 s PRO 1893Cb -0.16 -2.43 0.02 0.00 0.04 0.00 0.00 34.50 31.97 3im1 s PRO 1893CO 0.09 -0.70 -0.21 -0.51 0.04 0.00 0.00 177.00 175.71 3im1 s LEU 1894N -3.04 2.13 0.23 -3.56 1.43 -1.26 -5.08 118.68 109.53 3im1 s LEU 1894Ca 0.64 -0.63 0.08 0.00 -1.03 0.00 0.00 54.13 53.19 3im1 s LEU 1894Cb -0.33 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3im1 s LEU 1894CO 0.40 0.03 0.07 -0.13 0.23 0.00 0.00 176.35 176.95 3im1 s ARG 1895N 1.10 2.56 0.08 1.70 0.52 -1.26 -5.05 118.95 118.60 3im1 s ARG 1895Ca 0.00 -1.20 -0.35 0.00 -0.52 0.00 0.00 55.73 53.67 3im1 s ARG 1895Cb -0.14 -2.37 -0.14 0.00 0.52 0.00 0.00 34.95 32.82 3im1 s ARG 1895CO -0.09 0.40 1.57 1.17 0.02 0.00 0.00 175.30 178.37 3im1 n LYS 1896N -0.79 1.84 0.00 3.54 4.81 -1.26 -1.39 118.16 124.91 3im1 n LYS 1896Ca -0.08 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 3im1 n LYS 1896Cb 0.57 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.22 3im1 n LYS 1896CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3im1 n GLY 1897N 3.36 2.37 0.25 3.14 0.00 -1.26 -4.94 105.19 108.11 3im1 n GLY 1897Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 3im1 n GLY 1897CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3im1 h ASP 1898N 0.00 0.73 -0.36 1.61 5.19 -1.64 -2.87 116.42 119.08 3im1 h ASP 1898Ca 0.00 -0.13 0.06 0.00 -0.62 0.00 0.00 57.03 56.35 3im1 h ASP 1898Cb 0.00 -0.19 -0.06 0.00 0.18 0.00 0.00 39.33 39.27 3im1 h ASP 1898CO 0.00 0.65 0.01 -0.09 -3.12 0.00 0.00 179.24 176.69 3im1 h ARG 1899N 0.76 0.11 -0.61 3.56 2.43 -1.92 0.20 114.38 118.90 3im1 h ARG 1899Ca 0.19 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 3im1 h ARG 1899Cb 0.11 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3im1 h ARG 1899CO -0.03 0.07 0.18 0.00 -1.51 0.00 0.00 179.97 178.69 3im1 h ALA 1900N 1.30 1.17 -0.69 2.80 0.00 -1.94 -0.43 119.26 121.47 3im1 h ALA 1900Ca 0.17 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3im1 h ALA 1900Cb 0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3im1 h ALA 1900CO -0.28 0.58 0.24 -0.07 0.00 0.00 0.00 179.25 179.72 3im1 h LEU 1901N 0.90 0.99 -0.66 0.00 3.38 -1.17 -2.49 115.31 116.26 3im1 h LEU 1901Ca 0.20 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3im1 h LEU 1901Cb 0.27 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3im1 h LEU 1901CO -0.01 0.92 -0.20 -0.07 0.09 0.00 0.00 178.44 179.16 3im1 h LEU 1902N 1.00 0.84 -0.76 1.67 3.38 -0.58 -0.98 115.31 119.88 3im1 h LEU 1902Ca 0.23 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3im1 h LEU 1902Cb 0.26 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3im1 h LEU 1902CO -0.01 1.02 0.50 0.58 0.09 0.00 0.00 178.44 180.62 3im1 h VAL 1903N 0.73 1.19 -0.34 1.22 2.07 -0.98 0.11 116.25 120.24 3im1 h VAL 1903Ca 0.10 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3im1 h VAL 1903Cb 0.73 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3im1 h VAL 1903CO 0.06 0.19 0.16 0.11 0.02 0.00 0.00 177.57 178.10 3im1 h LYS 1904N 1.02 0.50 -0.82 1.57 1.57 -1.17 -2.85 116.57 116.40 3im1 h LYS 1904Ca 0.28 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 3im1 h LYS 1904Cb -0.11 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.06 3im1 h LYS 1904CO -0.06 0.47 0.52 -0.07 -0.57 0.00 0.00 179.45 179.74 3im1 h LEU 1905N 0.41 0.86 -2.04 2.94 3.38 -0.77 -2.86 115.31 117.24 3im1 h LEU 1905Ca 0.12 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.20 3im1 h LEU 1905Cb 0.14 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3im1 h LEU 1905CO -0.01 0.59 0.31 0.77 0.09 0.00 0.00 178.44 180.19 3im1 h SER 1906N 1.01 0.00 0.72 -0.43 4.64 -0.55 0.04 113.55 118.98 3im1 h SER 1906Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3im1 h SER 1906Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3im1 h SER 1906CO -0.12 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 175.95 3im1 h LYS 1907N 0.00 0.00 -0.10 4.77 1.79 -1.53 -2.94 116.57 118.56 3im1 h LYS 1907Ca 0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 3im1 h LYS 1907Cb 0.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 3im1 h LYS 1907CO -0.00 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.91 3im1 n ARG 1908N -2.65 1.98 -4.96 3.15 1.74 -0.00 -5.00 116.66 110.92 3im1 n ARG 1908Ca 0.01 -1.83 -0.31 0.00 -0.77 0.00 0.00 57.85 54.95 3im1 n ARG 1908Cb 0.23 -1.41 -0.14 0.00 -1.02 0.00 0.00 32.46 30.12 3im1 n ARG 1908CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3im1 s LEU 1909N -1.64 2.31 0.40 0.55 1.43 -1.11 -5.07 118.68 115.54 3im1 s LEU 1909Ca 0.26 -0.47 0.22 0.00 -1.03 0.00 0.00 54.13 53.11 3im1 s LEU 1909Cb 0.18 -1.39 0.47 0.00 0.03 0.00 0.00 46.19 45.48 3im1 s LEU 1909CO 0.26 0.29 1.64 1.55 0.23 0.00 0.00 176.35 180.32 3im1 h PRO 1910N 5.01 0.00 -5.21 1.29 0.13 -1.94 -3.44 132.00 127.83 3im1 h PRO 1910Ca -0.46 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.05 3im1 h PRO 1910Cb 1.14 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.09 3im1 h PRO 1910CO 0.46 0.21 -0.58 -0.51 -0.23 0.00 0.00 178.00 177.35 3im1 s LEU 1911N -6.41 3.70 0.00 1.56 1.43 -1.26 -5.09 118.68 112.62 3im1 s LEU 1911Ca 0.04 0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 52.89 3im1 s LEU 1911Cb 0.07 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 3im1 s LEU 1911CO 0.68 0.13 0.82 -0.60 0.23 0.00 0.00 176.35 177.60 3im1 s ARG 1912N 0.63 4.51 0.36 1.70 6.06 -1.26 -5.04 118.95 125.91 3im1 s ARG 1912Ca 0.03 1.13 -0.28 0.00 -2.50 0.00 0.00 55.73 54.11 3im1 s ARG 1912Cb -0.13 -3.42 -0.10 0.00 0.06 0.00 0.00 34.95 31.36 3im1 s ARG 1912CO 0.02 0.12 1.33 0.12 -2.50 0.00 0.00 175.30 174.38 3im1 s PHE 1913N 0.51 2.91 -0.27 5.12 5.36 -1.26 -4.88 117.98 125.47 3im1 s PHE 1913Ca 0.42 1.38 -0.40 0.00 -0.96 0.00 0.00 56.93 57.37 3im1 s PHE 1913Cb -0.20 -3.73 -0.15 0.00 -0.34 0.00 0.00 43.02 38.60 3im1 s PHE 1913CO 0.23 -2.09 1.76 -2.30 -1.46 0.00 0.00 175.22 171.36 3im1 n PRO 1914N 0.54 1.21 0.26 10.12 -0.02 -1.26 -4.82 135.00 141.03 3im1 n PRO 1914Ca 0.01 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 62.05 3im1 n PRO 1914Cb 0.42 -2.14 0.71 0.00 -0.02 0.00 0.00 33.50 32.47 3im1 n PRO 1914CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3im1 h GLU 1915N 7.42 0.00 -0.37 -0.52 4.39 -2.02 -2.63 114.58 120.84 3im1 h GLU 1915Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 3im1 h GLU 1915Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3im1 h GLU 1915CO 0.96 0.12 0.00 -2.39 -1.16 0.00 0.00 179.01 176.55 3im1 n HIS 1916N -3.71 0.36 -4.80 4.33 1.44 -1.26 -4.87 115.22 106.70 3im1 n HIS 1916Ca -0.02 -0.16 -0.26 0.00 -2.01 0.00 0.00 57.72 55.27 3im1 n HIS 1916Cb 0.23 -0.05 -0.16 0.00 0.12 0.00 0.00 29.99 30.13 3im1 n HIS 1916CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3im1 s THR 1917N -1.67 1.42 0.11 0.61 2.01 -0.99 -5.10 115.64 112.04 3im1 s THR 1917Ca 0.14 -0.67 -0.36 0.00 0.31 0.00 0.00 61.69 61.11 3im1 s THR 1917Cb 0.08 -1.25 -0.16 0.00 0.01 0.00 0.00 72.50 71.19 3im1 s THR 1917CO 0.08 0.41 1.38 -0.24 -0.69 0.00 0.00 174.62 175.57 3im1 n SER 1918N 3.47 1.99 -0.60 3.53 2.88 -1.26 -4.89 113.62 118.73 3im1 n SER 1918Ca -0.20 1.11 0.10 0.00 -1.33 0.00 0.00 58.87 58.55 3im1 n SER 1918Cb 0.52 -1.25 0.33 0.00 -0.75 0.00 0.00 64.21 63.06 3im1 n SER 1918CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3im1 n SER 1919N 2.67 1.80 -0.76 -3.46 3.41 -1.26 -4.14 113.62 111.88 3im1 n SER 1919Ca 0.18 -1.78 0.05 0.00 -0.26 0.00 0.00 58.87 57.06 3im1 n SER 1919Cb 0.22 -0.14 0.16 0.00 -0.26 0.00 0.00 64.21 64.20 3im1 n SER 1919CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3im1 n GLY 1920N 1.14 0.99 3.95 5.00 0.00 -1.26 -4.79 105.19 110.23 3im1 n GLY 1920Ca 0.16 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 3im1 n GLY 1920CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3im1 s SER 1921N -0.86 6.33 0.43 1.61 1.04 -1.26 -5.01 113.70 115.98 3im1 s SER 1921Ca 0.24 0.23 0.16 0.00 0.48 0.00 0.00 55.95 57.06 3im1 s SER 1921Cb 0.14 -1.93 0.97 0.00 0.10 0.00 0.00 66.02 65.30 3im1 s SER 1921CO 0.14 -0.09 1.94 1.62 0.98 0.00 0.00 173.24 177.84 3im1 h VAL 1922N 1.24 1.08 -0.78 5.02 3.04 -1.94 -2.76 116.25 121.16 3im1 h VAL 1922Ca -0.50 -0.86 0.18 0.00 -1.01 0.00 0.00 66.70 64.52 3im1 h VAL 1922Cb 1.21 1.47 -0.12 0.00 -2.01 0.00 0.00 31.29 31.84 3im1 h VAL 1922CO 0.64 0.24 0.15 -1.28 -1.01 0.00 0.00 177.57 176.30 3im1 h SER 1923N 0.00 -0.08 -0.24 3.17 0.87 -1.95 -0.67 113.55 114.64 3im1 h SER 1923Ca -0.00 0.17 0.03 0.00 -1.23 0.00 0.00 61.79 60.76 3im1 h SER 1923Cb 0.45 0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.64 3im1 h SER 1923CO 0.03 -0.11 0.07 0.15 -0.53 0.00 0.00 176.83 176.44 3im1 h PHE 1924N 0.21 0.13 -0.26 2.24 3.57 -1.79 -0.68 116.94 120.36 3im1 h PHE 1924Ca 0.45 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.97 3im1 h PHE 1924Cb 0.83 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 3im1 h PHE 1924CO -0.31 0.06 0.17 -0.22 -2.23 0.00 0.00 178.31 175.78 3im1 h LYS 1925N 0.18 0.34 -0.22 1.11 3.64 -1.41 -1.82 116.57 118.39 3im1 h LYS 1925Ca 0.11 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3im1 h LYS 1925Cb 0.08 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3im1 h LYS 1925CO -0.12 0.24 0.07 0.28 -2.27 0.00 0.00 179.45 177.65 3im1 h VAL 1926N 0.34 1.19 -0.27 2.00 2.07 -0.92 0.83 116.25 121.49 3im1 h VAL 1926Ca 0.09 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 67.05 3im1 h VAL 1926Cb -0.03 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3im1 h VAL 1926CO -0.02 0.19 0.03 0.15 0.02 0.00 0.00 177.57 177.94 3im1 h PHE 1927N 0.18 0.04 -0.15 1.57 3.57 -1.09 -1.21 116.94 119.85 3im1 h PHE 1927Ca 0.07 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 3im1 h PHE 1927Cb 0.23 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 3im1 h PHE 1927CO 0.00 -0.01 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.81 3im1 h LEU 1928N 0.12 0.43 -1.13 0.59 3.38 -1.27 -2.97 115.31 114.46 3im1 h LEU 1928Ca 0.13 -0.50 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 3im1 h LEU 1928Cb 0.15 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3im1 h LEU 1928CO -0.19 0.85 -0.21 -0.07 0.09 0.00 0.00 178.44 178.91 3im1 h LEU 1929N 0.03 0.35 -0.76 1.67 3.38 -0.79 -0.92 115.31 118.26 3im1 h LEU 1929Ca 0.02 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3im1 h LEU 1929Cb 0.74 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3im1 h LEU 1929CO 0.05 0.57 -0.08 -0.07 0.09 0.00 0.00 178.44 178.99 3im1 h LEU 1930N 0.32 0.84 -0.77 1.67 3.38 -1.27 -0.52 115.31 118.97 3im1 h LEU 1930Ca 0.05 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 3im1 h LEU 1930Cb 0.55 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3im1 h LEU 1930CO 0.04 0.95 0.03 1.56 0.09 0.00 0.00 178.44 181.11 3im1 h GLN 1931N 0.77 0.96 -0.56 1.13 4.20 -1.26 -1.06 115.11 119.30 3im1 h GLN 1931Ca 0.13 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 3im1 h GLN 1931Cb 0.58 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 3im1 h GLN 1931CO 0.04 0.93 0.21 0.00 -0.67 0.00 0.00 178.83 179.34 3im1 h ALA 1932N 1.13 1.33 0.28 3.87 0.00 -0.80 0.23 119.26 125.30 3im1 h ALA 1932Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3im1 h ALA 1932Cb 0.48 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3im1 h ALA 1932CO 0.02 0.50 -0.13 -0.92 0.00 0.00 0.00 179.25 178.71 3im1 h TYR 1933N 0.80 -0.35 -0.91 0.00 3.20 -0.76 -0.10 116.97 118.85 3im1 h TYR 1933Ca 0.19 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.09 3im1 h TYR 1933Cb 0.17 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 3im1 h TYR 1933CO 0.01 -0.16 0.60 0.74 -1.64 0.00 0.00 178.16 177.70 3im1 h PHE 1934N -0.45 1.10 0.00 -3.82 0.04 -0.76 -2.35 116.94 110.70 3im1 h PHE 1934Ca -0.04 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3im1 h PHE 1934Cb 0.34 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.12 3im1 h PHE 1934CO -0.04 0.63 -0.09 0.43 -0.60 0.00 0.00 178.31 178.64 3im1 n SER 1935N -4.45 0.14 -3.73 2.17 7.64 0.03 -3.78 113.62 111.65 3im1 n SER 1935Ca 0.12 0.37 -0.25 0.00 1.01 0.00 0.00 58.87 60.12 3im1 n SER 1935Cb 0.11 -0.38 0.05 0.00 -1.01 0.00 0.00 64.21 62.98 3im1 n SER 1935CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3im1 n ARG 1936N -1.55 -6.36 -2.59 1.43 1.74 -0.14 -5.00 116.66 104.19 3im1 n ARG 1936Ca 0.07 0.70 -0.34 0.00 -0.77 0.00 0.00 57.85 57.51 3im1 n ARG 1936Cb 0.35 -5.61 -0.04 0.00 -1.02 0.00 0.00 32.46 26.14 3im1 n ARG 1936CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3im1 s LEU 1937N -7.10 3.86 0.23 0.55 1.43 -0.65 -5.03 118.68 111.97 3im1 s LEU 1937Ca 0.46 1.88 -0.30 0.00 -1.03 0.00 0.00 54.13 55.14 3im1 s LEU 1937Cb -0.22 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.36 3im1 s LEU 1937CO 0.78 -0.70 1.18 -1.61 0.23 0.00 0.00 176.35 176.24 3im1 s GLU 1938N -3.24 4.52 0.09 1.70 0.41 -1.26 -4.87 118.70 116.05 3im1 s GLU 1938Ca 0.66 1.90 0.08 0.00 -0.41 0.00 0.00 54.97 57.20 3im1 s GLU 1938Cb -0.15 -3.20 -0.03 0.00 -1.78 0.00 0.00 34.13 28.97 3im1 s GLU 1938CO 0.19 -0.01 -0.21 -0.51 -0.49 0.00 0.00 175.26 174.22 3im1 s LEU 1939N -0.78 2.26 0.81 1.80 1.43 -1.26 -5.14 118.68 117.80 3im1 s LEU 1939Ca 0.50 -0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 52.85 3im1 s LEU 1939Cb -0.33 -0.94 0.08 0.00 0.03 0.00 0.00 46.19 45.03 3im1 s LEU 1939CO 0.40 0.10 1.12 -2.16 0.23 0.00 0.00 176.35 176.04 3im1 s PRO 1940N -1.69 1.84 0.24 1.29 0.04 -1.26 -4.72 135.00 130.74 3im1 s PRO 1940Ca 0.07 1.35 -0.06 0.00 0.04 0.00 0.00 61.00 62.41 3im1 s PRO 1940Cb -0.10 -1.84 0.35 0.00 0.04 0.00 0.00 34.50 32.96 3im1 s PRO 1940CO 0.04 -1.98 1.81 -0.24 0.04 0.00 0.00 177.00 176.66 3im1 h VAL 1941N -1.28 0.92 -0.86 -0.36 3.04 -2.00 -0.91 116.25 114.79 3im1 h VAL 1941Ca -0.44 -0.26 -0.02 0.00 -1.01 0.00 0.00 66.70 64.97 3im1 h VAL 1941Cb 1.25 0.10 -0.04 0.00 -2.01 0.00 0.00 31.29 30.58 3im1 h VAL 1941CO 0.48 0.14 0.47 0.44 -1.01 0.00 0.00 177.57 178.09 3im1 h ASP 1942N 0.76 1.08 0.08 3.17 3.32 -2.00 -0.87 116.42 121.96 3im1 h ASP 1942Ca 0.37 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 57.19 3im1 h ASP 1942Cb 0.31 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3im1 h ASP 1942CO -0.23 0.87 -0.44 -0.26 -1.72 0.00 0.00 179.24 177.46 3im1 h PHE 1943N 1.21 0.53 -0.60 4.55 0.04 -1.70 -1.76 116.94 119.21 3im1 h PHE 1943Ca 0.30 -0.16 0.05 0.00 2.80 0.00 0.00 57.97 60.97 3im1 h PHE 1943Cb 0.03 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.02 3im1 h PHE 1943CO 0.01 0.81 0.32 1.96 -0.60 0.00 0.00 178.31 180.81 3im1 h GLN 1944N 0.36 0.59 -0.22 1.51 4.20 -0.59 0.49 115.11 121.45 3im1 h GLN 1944Ca 0.03 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3im1 h GLN 1944Cb 0.92 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 3im1 h GLN 1944CO 0.08 0.39 0.14 -0.91 -0.67 0.00 0.00 178.83 177.86 3im1 h ASN 1945N 0.61 0.25 -0.73 1.46 2.35 -1.00 -2.05 115.58 116.46 3im1 h ASN 1945Ca 0.27 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3im1 h ASN 1945Cb 0.17 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 3im1 h ASN 1945CO -0.17 0.19 0.47 0.44 -1.65 0.00 0.00 177.43 176.71 3im1 h ASP 1946N 0.29 0.85 -0.80 5.81 3.32 -1.05 -2.54 116.42 122.30 3im1 h ASP 1946Ca 0.08 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3im1 h ASP 1946Cb -0.02 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 3im1 h ASP 1946CO -0.02 0.62 0.43 0.25 -1.72 0.00 0.00 179.24 178.81 3im1 h LEU 1947N 0.99 1.00 -0.31 1.55 5.85 -0.69 -0.88 115.31 122.82 3im1 h LEU 1947Ca 0.26 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.93 3im1 h LEU 1947Cb -0.09 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.64 3im1 h LEU 1947CO -0.06 0.81 0.05 0.50 -0.34 0.00 0.00 178.44 179.41 3im1 h LYS 1948N 1.11 0.16 -1.00 1.25 3.64 -1.08 0.22 116.57 120.86 3im1 h LYS 1948Ca 0.28 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.71 3im1 h LYS 1948Cb 0.04 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.76 3im1 h LYS 1948CO -0.04 0.10 0.65 -0.44 -2.27 0.00 0.00 179.45 177.45 3im1 h ASP 1949N 0.16 1.05 -0.10 4.20 3.32 -1.05 -1.90 116.42 122.11 3im1 h ASP 1949Ca 0.15 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3im1 h ASP 1949Cb 0.16 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 3im1 h ASP 1949CO -0.20 0.68 0.01 0.40 -1.72 0.00 0.00 179.24 178.41 3im1 h ILE 1950N 1.20 1.24 -0.06 0.35 2.04 -0.64 -3.09 117.51 118.55 3im1 h ILE 1950Ca 0.43 -0.76 0.02 0.00 1.00 0.00 0.00 64.86 65.55 3im1 h ILE 1950Cb 0.13 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3im1 h ILE 1950CO -0.16 0.21 0.04 -0.07 0.00 0.00 0.00 178.15 178.17 3im1 h LEU 1951N -0.10 0.00 -2.60 1.44 3.38 -0.61 -1.72 115.31 115.10 3im1 h LEU 1951Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3im1 h LEU 1951Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3im1 h LEU 1951CO 0.00 0.00 0.01 -0.08 0.09 0.00 0.00 178.44 178.47 3im1 h GLU 1952N 0.00 0.00 0.00 1.13 4.81 -1.26 -2.99 114.58 116.26 3im1 h GLU 1952Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3im1 h GLU 1952Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3im1 h GLU 1952CO -0.00 0.00 -0.94 1.63 -0.73 0.00 0.00 179.01 178.97 3im1 n LYS 1953N -3.62 1.80 0.06 1.92 5.02 -0.65 -4.72 118.16 117.97 3im1 n LYS 1953Ca -0.03 -0.04 -0.06 0.00 -2.02 0.00 0.00 58.31 56.17 3im1 n LYS 1953Cb 0.09 -1.22 0.12 0.00 -0.02 0.00 0.00 35.03 34.01 3im1 n LYS 1953CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 3im1 h VAL 1954N 0.00 1.35 0.13 -0.18 -1.51 -1.45 -3.29 116.25 111.30 3im1 h VAL 1954Ca 0.00 -1.83 -0.01 0.00 -1.23 0.00 0.00 66.70 63.64 3im1 h VAL 1954Cb 0.43 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 3im1 h VAL 1954CO 0.00 0.55 -0.06 0.58 -1.23 0.00 0.00 177.57 177.41 3im1 h VAL 1955N 0.26 0.92 -0.83 7.19 2.07 -1.85 -0.53 116.25 123.47 3im1 h VAL 1955Ca 0.00 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.39 3im1 h VAL 1955Cb 1.04 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 3im1 h VAL 1955CO 0.09 0.05 0.54 -0.65 0.02 0.00 0.00 177.57 177.62 3im1 h PRO 1956N -0.26 0.92 -0.26 1.57 0.11 -1.92 -2.36 132.00 129.80 3im1 h PRO 1956Ca -0.02 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 3im1 h PRO 1956Cb 0.21 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3im1 h PRO 1956CO 0.03 0.61 -0.05 -0.07 -0.21 0.00 0.00 178.00 178.31 3im1 h LEU 1957N 0.95 0.49 -1.20 2.35 3.38 -1.52 -2.04 115.31 117.72 3im1 h LEU 1957Ca 0.35 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3im1 h LEU 1957Cb 0.17 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3im1 h LEU 1957CO -0.12 0.73 -0.30 -0.29 0.09 0.00 0.00 178.44 178.55 3im1 h ILE 1958N 0.24 1.25 -0.49 1.22 6.09 -1.00 -2.01 117.51 122.82 3im1 h ILE 1958Ca 0.07 -1.19 -0.08 0.00 -1.37 0.00 0.00 64.86 62.29 3im1 h ILE 1958Cb 0.51 1.52 -0.02 0.00 0.47 0.00 0.00 36.82 39.30 3im1 h ILE 1958CO 0.02 0.35 -0.01 0.78 -3.07 0.00 0.00 178.15 176.23 3im1 h ASN 1959N 0.15 0.79 -0.65 2.19 2.35 -1.28 -1.63 115.58 117.50 3im1 h ASN 1959Ca 0.02 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.54 3im1 h ASN 1959Cb 0.61 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 3im1 h ASN 1959CO 0.04 0.86 0.26 0.58 -1.65 0.00 0.00 177.43 177.53 3im1 h VAL 1960N 0.76 1.24 -0.17 2.81 2.07 -0.87 -0.54 116.25 121.54 3im1 h VAL 1960Ca 0.15 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 66.96 3im1 h VAL 1960Cb 0.47 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3im1 h VAL 1960CO 0.02 0.29 0.01 0.58 0.02 0.00 0.00 177.57 178.49 3im1 h VAL 1961N 0.91 0.89 -0.65 2.57 2.07 -1.00 0.15 116.25 121.19 3im1 h VAL 1961Ca 0.22 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.75 3im1 h VAL 1961Cb 0.20 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 3im1 h VAL 1961CO -0.02 0.01 0.38 0.58 0.02 0.00 0.00 177.57 178.55 3im1 h VAL 1962N 0.07 1.03 -0.47 2.57 2.07 -1.15 -1.99 116.25 118.38 3im1 h VAL 1962Ca 0.08 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 3im1 h VAL 1962Cb 0.09 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 3im1 h VAL 1962CO -0.13 0.13 0.03 0.44 0.02 0.00 0.00 177.57 178.07 3im1 h ASP 1963N 0.74 0.78 0.04 0.57 3.32 -0.63 -0.59 116.42 120.65 3im1 h ASP 1963Ca 0.27 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3im1 h ASP 1963Cb 0.09 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3im1 h ASP 1963CO -0.14 0.88 -0.06 0.40 -1.72 0.00 0.00 179.24 178.60 3im1 h ILE 1964N 0.66 0.86 -0.11 0.35 2.04 -0.52 -0.58 117.51 120.22 3im1 h ILE 1964Ca 0.14 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 3im1 h ILE 1964Cb 0.46 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3im1 h ILE 1964CO 0.02 0.00 -0.00 -0.07 0.00 0.00 0.00 178.15 178.10 3im1 h LEU 1965N -0.12 0.19 -0.82 1.44 3.38 -1.26 -3.06 115.31 115.06 3im1 h LEU 1965Ca 0.01 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 3im1 h LEU 1965Cb 0.13 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3im1 h LEU 1965CO -0.03 0.46 0.11 0.77 0.09 0.00 0.00 178.44 179.84 3im1 h SER 1966N -0.09 0.94 -0.21 -0.43 4.64 -1.10 -2.08 113.55 115.22 3im1 h SER 1966Ca 0.03 -0.21 0.03 0.00 -0.47 0.00 0.00 61.79 61.17 3im1 h SER 1966Cb 0.36 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3im1 h SER 1966CO 0.01 0.94 0.15 0.00 -0.87 0.00 0.00 176.83 177.05 3im1 h ALA 1967N 1.17 2.00 -0.04 5.18 0.00 -1.06 -0.03 119.26 126.48 3im1 h ALA 1967Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3im1 h ALA 1967Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3im1 h ALA 1967CO 0.01 -0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.32 3im1 n ASN 1968N -4.50 1.43 -0.41 0.00 3.02 -1.07 -4.96 115.26 108.77 3im1 n ASN 1968Ca 0.01 -1.50 -0.05 0.00 -0.03 0.00 0.00 54.58 53.01 3im1 n ASN 1968Cb 0.17 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.30 3im1 n ASN 1968CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3im1 n GLY 1969N 1.16 0.70 3.67 7.41 0.00 -0.02 -4.99 105.19 113.11 3im1 n GLY 1969Ca 0.19 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 3im1 n GLY 1969CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3im1 s TYR 1970N -2.20 3.41 0.24 1.61 2.02 -0.80 -0.95 117.35 120.68 3im1 s TYR 1970Ca 0.00 1.08 0.36 0.00 -0.37 0.00 0.00 57.07 58.15 3im1 s TYR 1970Cb 0.00 -2.88 1.67 0.00 -0.40 0.00 0.00 41.96 40.35 3im1 s TYR 1970CO 0.00 -0.18 2.08 1.25 -1.57 0.00 0.00 175.55 177.14 3im1 h LEU 1971N 8.12 0.00 0.00 -1.29 5.85 -1.70 -2.37 115.31 123.91 3im1 h LEU 1971Ca -0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3im1 h LEU 1971Cb 1.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3im1 h LEU 1971CO 0.80 0.00 0.00 -0.46 -0.34 0.00 0.00 178.44 178.44 3im1 n ASN 1972N -3.03 0.00 -0.35 1.25 6.94 -1.26 -1.48 115.26 117.33 3im1 n ASN 1972Ca -0.00 0.27 0.29 0.00 -0.02 0.00 0.00 54.58 55.11 3im1 n ASN 1972Cb 0.23 -0.33 0.60 0.00 -2.36 0.00 0.00 39.78 37.92 3im1 n ASN 1972CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3im1 h ALA 1973N 2.23 2.59 -0.01 -2.53 0.00 -1.74 -0.71 119.26 119.10 3im1 h ALA 1973Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3im1 h ALA 1973Cb 0.06 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3im1 h ALA 1973CO 0.00 -1.02 -0.31 1.79 0.00 0.00 0.00 179.25 179.71 3im1 h THR 1974N 0.23 1.23 -0.47 0.00 1.35 -1.53 -2.01 112.91 111.71 3im1 h THR 1974Ca 0.63 -1.07 -0.13 0.00 -0.55 0.00 0.00 66.41 65.29 3im1 h THR 1974Cb 1.94 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 69.92 3im1 h THR 1974CO -0.24 0.31 -0.20 0.74 -0.25 0.00 0.00 175.52 175.88 3im1 h THR 1975N 0.01 1.27 -0.75 6.82 2.02 -1.35 -1.93 112.91 119.01 3im1 h THR 1975Ca -0.00 -1.36 0.02 0.00 0.77 0.00 0.00 66.41 65.85 3im1 h THR 1975Cb 0.55 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 3im1 h THR 1975CO 0.04 0.47 0.49 0.00 0.37 0.00 0.00 175.52 176.89 3im1 h ALA 1976N 0.86 1.52 -0.71 6.16 0.00 -1.25 -1.77 119.26 124.07 3im1 h ALA 1976Ca 0.11 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3im1 h ALA 1976Cb 0.77 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3im1 h ALA 1976CO 0.06 0.42 0.20 0.52 0.00 0.00 0.00 179.25 180.45 3im1 h MET 1977N 0.95 1.12 -0.55 0.00 2.86 -1.09 -0.61 114.93 117.61 3im1 h MET 1977Ca 0.29 -0.26 0.06 0.00 -2.06 0.00 0.00 59.70 57.73 3im1 h MET 1977Cb -0.02 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.44 3im1 h MET 1977CO -0.07 0.98 0.27 -0.44 1.06 0.00 0.00 176.91 178.70 3im1 h ASP 1978N 1.06 0.37 -0.56 1.22 3.32 -0.84 -1.89 116.42 119.10 3im1 h ASP 1978Ca 0.23 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 3im1 h ASP 1978Cb 0.34 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3im1 h ASP 1978CO -0.00 0.24 0.18 0.25 -1.72 0.00 0.00 179.24 178.19 3im1 h LEU 1979N 0.51 0.85 -0.48 1.55 5.85 -0.94 -1.97 115.31 120.69 3im1 h LEU 1979Ca 0.25 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.88 3im1 h LEU 1979Cb 0.19 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3im1 h LEU 1979CO -0.19 0.81 0.19 0.00 -0.34 0.00 0.00 178.44 178.91 3im1 h ALA 1980N 1.30 0.58 -0.48 1.25 0.00 -0.59 -1.17 119.26 120.15 3im1 h ALA 1980Ca 0.20 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3im1 h ALA 1980Cb 0.27 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3im1 h ALA 1980CO -0.01 -0.20 0.30 1.96 0.00 0.00 0.00 179.25 181.31 3im1 h GLN 1981N 0.37 0.64 -0.91 0.00 4.20 -1.00 -2.75 115.11 115.66 3im1 h GLN 1981Ca 0.22 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.91 3im1 h GLN 1981Cb 0.21 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 3im1 h GLN 1981CO -0.21 0.45 0.60 0.52 -0.67 0.00 0.00 178.83 179.51 3im1 h MET 1982N 0.64 1.12 -0.09 1.46 2.86 -0.97 -1.35 114.93 118.61 3im1 h MET 1982Ca 0.17 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 3im1 h MET 1982Cb -0.04 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.36 3im1 h MET 1982CO -0.04 0.74 -0.25 -0.07 1.06 0.00 0.00 176.91 178.36 3im1 h LEU 1983N 1.15 0.15 0.20 1.22 3.38 -0.94 0.13 115.31 120.61 3im1 h LEU 1983Ca 0.36 -0.04 -0.28 0.00 0.09 0.00 0.00 57.88 58.00 3im1 h LEU 1983Cb -0.01 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 40.73 3im1 h LEU 1983CO -0.10 0.40 -1.27 0.40 0.09 0.00 0.00 178.44 177.96 3im1 h ILE 1984N 0.14 1.32 0.00 1.22 1.08 -1.17 -3.39 117.51 116.71 3im1 h ILE 1984Ca 0.02 -2.61 0.00 0.00 -0.39 0.00 0.00 64.86 61.88 3im1 h ILE 1984Cb 0.52 3.06 0.00 0.00 -3.07 0.00 0.00 36.82 37.33 3im1 h ILE 1984CO 0.04 0.78 -0.85 0.00 -0.69 0.00 0.00 178.15 177.43 3im1 n GLN 1985N -3.86 0.05 -3.16 2.37 1.13 -0.58 -3.89 117.38 109.44 3im1 n GLN 1985Ca -0.17 -0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.75 3im1 n GLN 1985Cb 1.00 -1.51 0.07 0.00 0.11 0.00 0.00 30.24 29.90 3im1 n GLN 1985CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3im1 n GLY 1986N 1.48 -0.20 3.24 1.08 0.00 0.03 -4.60 105.19 106.22 3im1 n GLY 1986Ca 0.04 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 3im1 n GLY 1986CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3im1 s VAL 1987N -3.28 0.04 0.37 1.61 -7.23 -1.23 -4.56 120.40 106.12 3im1 s VAL 1987Ca 0.03 -1.83 -0.10 0.00 -1.81 0.00 0.00 61.98 58.28 3im1 s VAL 1987Cb -0.02 -2.23 -0.06 0.00 0.56 0.00 0.00 36.38 34.63 3im1 s VAL 1987CO 0.58 -0.20 0.71 0.26 -0.31 0.00 0.00 175.10 176.15 3im1 s TRP 1988N -4.08 3.46 0.48 2.82 0.52 -1.25 -4.57 118.94 116.33 3im1 s TRP 1988Ca 0.29 0.98 0.20 0.00 0.02 0.00 0.00 56.10 57.58 3im1 s TRP 1988Cb 0.06 -2.38 1.21 0.00 -1.15 0.00 0.00 33.47 31.22 3im1 s TRP 1988CO 0.07 -0.02 1.98 0.38 0.02 0.00 0.00 176.95 179.38 3im1 h ASP 1989N 1.49 0.19 -0.04 2.95 2.03 -1.98 -0.77 116.42 120.29 3im1 h ASP 1989Ca -0.47 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 3im1 h ASP 1989Cb 1.19 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 3im1 h ASP 1989CO 0.65 0.10 0.00 1.33 -1.03 0.00 0.00 179.24 180.29 3im1 n VAL 1990N -4.43 0.04 -1.75 4.15 0.24 -1.26 -4.95 118.33 110.36 3im1 n VAL 1990Ca 0.10 -0.30 -0.33 0.00 -2.04 0.00 0.00 64.34 61.77 3im1 n VAL 1990Cb 0.50 0.60 0.05 0.00 -1.47 0.00 0.00 33.84 33.52 3im1 n VAL 1990CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3im1 s ASP 1991N -1.94 5.09 -0.02 -1.34 1.01 -0.30 -4.94 116.67 114.23 3im1 s ASP 1991Ca 0.36 2.01 -0.35 0.00 0.71 0.00 0.00 52.55 55.28 3im1 s ASP 1991Cb 0.20 -2.55 -0.13 0.00 1.01 0.00 0.00 42.92 41.45 3im1 s ASP 1991CO 0.32 -1.65 1.71 -3.20 0.21 0.00 0.00 175.17 172.57 3im1 n ASN 1992N -2.42 3.00 0.31 0.27 2.85 -1.26 -4.86 115.26 113.14 3im1 n ASN 1992Ca 0.10 1.04 0.19 0.00 -0.11 0.00 0.00 54.58 55.80 3im1 n ASN 1992Cb 0.52 -1.33 1.04 0.00 1.24 0.00 0.00 39.78 41.25 3im1 n ASN 1992CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3im1 h PRO 1993N 7.44 0.00 0.00 1.20 0.13 -1.92 -1.02 132.00 137.84 3im1 h PRO 1993Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3im1 h PRO 1993Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3im1 h PRO 1993CO 0.91 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.61 3im1 h LEU 1994N 0.00 0.00 -2.26 1.56 3.38 -1.89 -3.21 115.31 112.89 3im1 h LEU 1994Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3im1 h LEU 1994Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3im1 h LEU 1994CO -0.00 0.00 -0.02 -0.09 0.09 0.00 0.00 178.44 178.42 3im1 h ARG 1995N 0.00 0.00 0.00 1.13 2.43 -1.48 -1.74 114.38 114.72 3im1 h ARG 1995Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3im1 h ARG 1995Cb 0.56 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3im1 h ARG 1995CO 0.00 0.02 -0.10 1.96 -1.51 0.00 0.00 179.97 180.34 3im1 h GLN 1996N 0.00 0.00 -6.36 0.20 4.20 -1.76 -3.44 115.11 107.96 3im1 h GLN 1996Ca -0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 3im1 h GLN 1996Cb 0.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3im1 h GLN 1996CO 0.00 0.10 0.71 0.42 -0.67 0.00 0.00 178.83 179.39 3im1 s ILE 1997N -4.61 4.07 0.23 2.54 1.01 -0.66 -4.77 121.20 119.02 3im1 s ILE 1997Ca -0.04 1.43 -0.31 0.00 0.00 0.00 0.00 60.65 61.73 3im1 s ILE 1997Cb 0.15 -3.92 -0.15 0.00 0.01 0.00 0.00 42.46 38.55 3im1 s ILE 1997CO 0.63 0.02 1.18 -2.65 0.00 0.00 0.00 174.94 174.12 3im1 n PRO 1998N 5.00 1.44 -0.96 2.79 -0.02 -1.26 -2.37 135.00 139.62 3im1 n PRO 1998Ca 0.11 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3im1 n PRO 1998Cb 0.46 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3im1 n PRO 1998CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3im1 n HIS 1999N 1.19 0.00 -2.62 6.00 8.25 -1.26 -4.55 115.22 122.24 3im1 n HIS 1999Ca 0.12 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.15 3im1 n HIS 1999Cb 0.29 -0.65 -0.00 0.00 1.12 0.00 0.00 29.99 30.74 3im1 n HIS 1999CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3im1 s PHE 2000N -1.97 2.85 0.91 4.41 0.40 -1.00 -4.93 117.98 118.65 3im1 s PHE 2000Ca 0.00 -1.67 -0.14 0.00 -0.60 0.00 0.00 56.93 54.52 3im1 s PHE 2000Cb 0.00 -4.71 0.15 0.00 0.51 0.00 0.00 43.02 38.97 3im1 s PHE 2000CO 0.00 -1.77 1.24 0.54 0.70 0.00 0.00 175.22 175.93 3im1 s ASN 2001N 4.10 3.58 0.45 1.36 2.20 -1.26 -4.75 114.94 120.61 3im1 s ASN 2001Ca 0.53 0.54 0.13 0.00 -0.94 0.00 0.00 52.86 53.12 3im1 s ASN 2001Cb 0.03 -0.81 1.04 0.00 -2.00 0.00 0.00 41.25 39.51 3im1 s ASN 2001CO 0.07 -2.47 2.03 0.78 -2.94 0.00 0.00 177.10 174.57 3im1 h ASN 2002N -1.45 0.32 -0.27 3.54 2.35 -1.99 -0.65 115.58 117.43 3im1 h ASN 2002Ca -0.46 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.28 3im1 h ASN 2002Cb 1.28 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 3im1 h ASN 2002CO 0.51 0.21 0.11 0.50 -1.65 0.00 0.00 177.43 177.11 3im1 h LYS 2003N 0.36 0.39 -0.60 0.81 1.63 -1.98 -2.01 116.57 115.17 3im1 h LYS 2003Ca 0.19 -0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 59.83 3im1 h LYS 2003Cb 0.31 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 3im1 h LYS 2003CO -0.05 0.41 0.00 0.82 -3.45 0.00 0.00 179.45 177.19 3im1 h ILE 2004N 0.29 1.26 -0.88 2.00 2.04 -1.68 -2.48 117.51 118.07 3im1 h ILE 2004Ca 0.09 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.81 3im1 h ILE 2004Cb 0.16 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3im1 h ILE 2004CO -0.01 0.42 0.55 -0.07 0.00 0.00 0.00 178.15 179.04 3im1 h LEU 2005N 0.96 1.03 -0.70 1.44 3.38 -1.05 -1.06 115.31 119.31 3im1 h LEU 2005Ca 0.17 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 3im1 h LEU 2005Cb 0.55 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3im1 h LEU 2005CO 0.03 0.77 -0.55 1.05 0.09 0.00 0.00 178.44 179.83 3im1 h GLU 2006N 1.20 0.28 -0.77 1.13 4.11 -1.24 -1.27 114.58 118.03 3im1 h GLU 2006Ca 0.32 -0.17 -0.03 0.00 0.07 0.00 0.00 59.36 59.54 3im1 h GLU 2006Cb -0.09 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3im1 h GLU 2006CO -0.06 0.76 0.34 0.87 0.07 0.00 0.00 179.01 180.98 3im1 h LYS 2007N 0.22 1.11 -0.64 1.06 1.57 -0.95 -1.55 116.57 117.38 3im1 h LYS 2007Ca 0.00 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 3im1 h LYS 2007Cb 1.04 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 3im1 h LYS 2007CO 0.09 0.88 0.22 0.00 -0.57 0.00 0.00 179.45 180.07 3im1 h LYS 2009N 0.91 1.17 -0.80 0.00 3.64 -0.94 -1.44 116.57 119.11 3im1 h LYS 2009Ca 0.21 -0.07 0.15 0.00 -1.27 0.00 0.00 60.65 59.67 3im1 h LYS 2009Cb 0.26 -0.26 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 3im1 h LYS 2009CO -0.01 0.77 0.53 0.93 -2.27 0.00 0.00 179.45 179.40 3im1 h GLU 2010N 1.20 0.48 -0.15 1.90 5.08 -1.01 -2.66 114.58 119.42 3im1 h GLU 2010Ca 0.33 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 3im1 h GLU 2010Cb -0.13 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 3im1 h GLU 2010CO -0.07 0.32 -0.06 0.44 -1.00 0.00 0.00 179.01 178.63 3im1 n ILE 2011N -4.50 2.17 -2.98 3.13 -5.35 -1.07 -4.99 119.36 105.76 3im1 n ILE 2011Ca 0.15 -2.29 -0.22 0.00 -0.27 0.00 0.00 62.75 60.12 3im1 n ILE 2011Cb 0.52 -0.26 0.03 0.00 -1.74 0.00 0.00 39.64 38.19 3im1 n ILE 2011CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3im1 n ASN 2012N -1.01 -5.98 -4.61 7.28 5.03 -1.01 -4.99 115.26 109.97 3im1 n ASN 2012Ca 0.21 -0.27 -0.40 0.00 0.87 0.00 0.00 54.58 54.99 3im1 n ASN 2012Cb 0.80 -4.85 -0.07 0.00 -1.02 0.00 0.00 39.78 34.64 3im1 n ASN 2012CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3im1 s VAL 2013N -3.15 5.04 0.00 2.41 1.01 -0.57 -4.93 120.40 120.21 3im1 s VAL 2013Ca 0.28 0.86 0.00 0.00 0.00 0.00 0.00 61.98 63.12 3im1 s VAL 2013Cb -0.13 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.38 3im1 s VAL 2013CO 0.35 0.03 0.00 -0.62 0.00 0.00 0.00 175.10 174.85 3im1 n GLU 2014N 5.62 2.83 -4.56 2.72 1.02 -1.26 -4.32 120.64 122.69 3im1 n GLU 2014Ca -0.03 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.84 3im1 n GLU 2014Cb 0.49 -0.97 -0.11 0.00 -0.02 0.00 0.00 31.44 30.84 3im1 n GLU 2014CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3im1 s THR 2015N -1.93 2.18 0.37 2.62 -4.23 -1.26 -4.55 115.64 108.84 3im1 s THR 2015Ca 0.00 -2.14 0.04 0.00 -1.18 0.00 0.00 61.69 58.41 3im1 s THR 2015Cb 0.00 -2.76 0.26 0.00 1.34 0.00 0.00 72.50 71.34 3im1 s THR 2015CO 0.00 -0.14 2.02 0.58 -0.54 0.00 0.00 174.62 176.54 3im1 h VAL 2016N 1.94 1.15 -0.61 2.29 2.07 -1.96 -2.67 116.25 118.46 3im1 h VAL 2016Ca -0.43 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 3im1 h VAL 2016Cb 1.25 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3im1 h VAL 2016CO 0.74 0.15 0.15 1.88 0.02 0.00 0.00 177.57 180.51 3im1 h TYR 2017N 0.74 0.98 -0.86 1.57 0.05 -1.98 -2.59 116.97 114.88 3im1 h TYR 2017Ca 0.20 -0.10 0.02 0.00 0.05 0.00 0.00 58.73 58.90 3im1 h TYR 2017Cb -0.06 -0.28 -0.05 0.00 1.01 0.00 0.00 36.73 37.35 3im1 h TYR 2017CO 0.00 0.81 0.56 -0.44 -1.05 0.00 0.00 178.16 178.04 3im1 h ASP 2018N 0.91 0.95 -0.54 3.88 3.32 -1.88 -2.14 116.42 120.92 3im1 h ASP 2018Ca 0.20 -0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.33 3im1 h ASP 2018Cb 0.32 -0.22 -0.08 0.00 0.22 0.00 0.00 39.33 39.56 3im1 h ASP 2018CO -0.00 0.67 0.06 0.40 -1.72 0.00 0.00 179.24 178.64 3im1 h ILE 2019N 1.12 0.63 0.00 0.35 1.08 -1.27 -2.70 117.51 116.71 3im1 h ILE 2019Ca 0.33 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.74 3im1 h ILE 2019Cb -0.06 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 34.13 3im1 h ILE 2019CO -0.09 0.03 -0.06 0.24 -0.69 0.00 0.00 178.15 177.58 3im1 h MET 2020N 0.18 0.00 -0.00 2.37 2.86 -1.39 -3.16 114.93 115.79 3im1 h MET 2020Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3im1 h MET 2020Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3im1 h MET 2020CO -0.41 0.00 -0.14 0.00 1.06 0.00 0.00 176.91 177.42 3im1 n ALA 2021N -2.05 2.77 -2.19 6.32 0.00 -0.84 -4.93 120.51 119.60 3im1 n ALA 2021Ca 0.04 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 3im1 n ALA 2021Cb 0.51 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 3im1 n ALA 2021CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3im1 s LEU 2022N -2.70 3.82 0.84 0.00 2.34 -1.15 -5.06 118.68 116.76 3im1 s LEU 2022Ca 0.22 1.13 -0.11 0.00 0.06 0.00 0.00 54.13 55.42 3im1 s LEU 2022Cb 0.19 -4.01 0.10 0.00 -0.56 0.00 0.00 46.19 41.91 3im1 s LEU 2022CO 0.53 -0.41 1.09 -0.70 -1.06 0.00 0.00 176.35 175.80 3im1 s GLU 2023N -3.89 1.70 0.12 1.48 2.56 -1.26 -4.79 118.70 114.61 3im1 s GLU 2023Ca 0.51 0.87 -0.21 0.00 0.00 0.00 0.00 54.97 56.15 3im1 s GLU 2023Cb -0.10 -1.86 -0.07 0.00 2.00 0.00 0.00 34.13 34.10 3im1 s GLU 2023CO 0.32 -1.95 1.73 -0.44 -0.56 0.00 0.00 175.26 174.37 3im1 h ASP 2024N -1.34 -0.01 -0.76 -1.70 3.32 -1.99 -1.80 116.42 112.14 3im1 h ASP 2024Ca -0.47 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 3im1 h ASP 2024Cb 1.27 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.82 3im1 h ASP 2024CO 0.55 0.02 0.41 1.05 -1.72 0.00 0.00 179.24 179.54 3im1 h GLU 2025N 0.07 1.08 -0.23 3.56 9.09 -1.99 0.95 114.58 127.11 3im1 h GLU 2025Ca 0.06 -0.13 -0.04 0.00 0.05 0.00 0.00 59.36 59.31 3im1 h GLU 2025Cb 0.06 -0.21 -0.01 0.00 -1.65 0.00 0.00 28.75 26.95 3im1 h GLU 2025CO -0.09 0.80 -0.02 0.93 0.05 0.00 0.00 179.01 180.67 3im1 h GLU 2026N 1.08 0.42 -0.43 1.06 5.08 -1.90 -2.60 114.58 117.29 3im1 h GLU 2026Ca 0.27 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3im1 h GLU 2026Cb 0.05 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3im1 h GLU 2026CO -0.04 0.63 0.05 -0.09 -1.00 0.00 0.00 179.01 178.55 3im1 h ARG 2027N 0.17 0.73 -1.00 2.33 2.43 -1.06 -2.89 114.38 115.09 3im1 h ARG 2027Ca 0.06 -0.21 0.06 0.00 -0.81 0.00 0.00 59.98 59.08 3im1 h ARG 2027Cb 0.45 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 3im1 h ARG 2027CO 0.02 0.77 0.65 -0.44 -1.51 0.00 0.00 179.97 179.46 3im1 h ASP 2028N 0.58 1.05 -0.63 -3.80 5.19 -0.83 -0.07 116.42 117.91 3im1 h ASP 2028Ca 0.13 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.51 3im1 h ASP 2028Cb 0.41 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.67 3im1 h ASP 2028CO 0.01 0.69 0.26 -0.08 -3.12 0.00 0.00 179.24 177.00 3im1 h GLU 2029N 1.20 0.94 -0.29 3.56 4.57 -1.36 -3.06 114.58 120.14 3im1 h GLU 2029Ca 0.42 -0.17 -0.15 0.00 -1.18 0.00 0.00 59.36 58.29 3im1 h GLU 2029Cb 0.12 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3im1 h GLU 2029CO -0.16 0.79 -0.39 0.82 -1.18 0.00 0.00 179.01 178.89 3im1 h ILE 2030N 0.88 1.29 -0.67 2.32 2.04 -1.23 -3.34 117.51 118.80 3im1 h ILE 2030Ca 0.21 -1.57 -0.58 0.00 1.00 0.00 0.00 64.86 63.92 3im1 h ILE 2030Cb 0.20 1.60 -0.09 0.00 -0.74 0.00 0.00 36.82 37.79 3im1 h ILE 2030CO -0.02 0.51 1.84 0.18 0.00 0.00 0.00 178.15 180.66 3im1 n LEU 2031N -4.16 7.41 -4.11 1.44 4.77 -0.08 -4.82 117.00 117.45 3im1 n LEU 2031Ca -0.04 -4.30 -0.43 0.00 -0.03 0.00 0.00 56.01 51.22 3im1 n LEU 2031Cb 0.54 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 3im1 n LEU 2031CO 0.47 1.93 2.30 0.35 -1.33 0.00 0.00 177.39 181.11 3im1 n THR 2032N 2.10 3.75 -4.13 -5.08 -2.24 -1.25 -4.87 114.28 102.55 3im1 n THR 2032Ca 0.60 -3.62 -0.09 0.00 -2.27 0.00 0.00 64.05 58.67 3im1 n THR 2032Cb 0.42 -2.48 -0.10 0.00 -2.10 0.00 0.00 70.33 66.07 3im1 n THR 2032CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3im1 s LEU 2033N 2.78 2.50 0.79 3.22 1.43 -1.26 -5.14 118.68 123.00 3im1 s LEU 2033Ca 0.49 -1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 3im1 s LEU 2033Cb 0.09 0.06 0.07 0.00 0.03 0.00 0.00 46.19 46.44 3im1 s LEU 2033CO -0.01 -0.53 1.09 0.42 0.23 0.00 0.00 176.35 177.54 3im1 s THR 2034N -3.75 3.25 0.27 5.49 -4.23 -1.26 -4.80 115.64 110.61 3im1 s THR 2034Ca 0.09 0.40 -0.02 0.00 -1.18 0.00 0.00 61.69 60.99 3im1 s THR 2034Cb 0.06 -3.04 0.27 0.00 1.34 0.00 0.00 72.50 71.13 3im1 s THR 2034CO -0.07 -0.53 1.89 0.44 -0.54 0.00 0.00 174.62 175.80 3im1 h ASP 2035N -1.11 1.03 -0.43 3.99 3.32 -1.99 0.64 116.42 121.87 3im1 h ASP 2035Ca -0.46 0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.61 3im1 h ASP 2035Cb 1.25 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 3im1 h ASP 2035CO 0.56 0.65 0.27 -1.28 -1.72 0.00 0.00 179.24 177.72 3im1 h SER 2036N 1.16 0.45 -0.43 6.45 0.87 -2.00 -0.23 113.55 119.82 3im1 h SER 2036Ca 0.43 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.97 3im1 h SER 2036Cb 0.18 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3im1 h SER 2036CO -0.17 0.32 0.20 1.56 -0.53 0.00 0.00 176.83 178.21 3im1 h GLN 2037N 0.54 0.62 -0.60 2.24 4.20 -1.78 -2.92 115.11 117.41 3im1 h GLN 2037Ca 0.17 -0.10 0.05 0.00 0.06 0.00 0.00 58.65 58.83 3im1 h GLN 2037Cb -0.02 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 3im1 h GLN 2037CO -0.06 0.55 0.40 -0.07 -0.67 0.00 0.00 178.83 178.97 3im1 h LEU 2038N 0.55 0.56 -1.39 1.46 3.38 -0.57 -1.65 115.31 117.65 3im1 h LEU 2038Ca 0.15 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.15 3im1 h LEU 2038Cb 0.13 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3im1 h LEU 2038CO -0.02 0.38 0.44 0.00 0.09 0.00 0.00 178.44 179.33 3im1 h ALA 2039N 1.66 1.64 0.16 1.53 0.00 -0.85 0.83 119.26 124.25 3im1 h ALA 2039Ca 0.25 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.82 3im1 h ALA 2039Cb 0.17 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 17.77 3im1 h ALA 2039CO -0.07 0.28 -1.32 1.96 0.00 0.00 0.00 179.25 180.11 3im1 h GLN 2040N 0.78 0.55 -0.47 0.00 4.20 -1.32 -2.01 115.11 116.84 3im1 h GLN 2040Ca 0.27 -0.81 0.05 0.00 0.06 0.00 0.00 58.65 58.22 3im1 h GLN 2040Cb 0.09 0.28 -0.05 0.00 0.30 0.00 0.00 27.48 28.11 3im1 h GLN 2040CO -0.08 1.37 0.20 0.28 -0.67 0.00 0.00 178.83 179.94 3im1 h VAL 2041N 0.21 0.90 -0.48 -0.54 2.07 -1.06 -3.04 116.25 114.30 3im1 h VAL 2041Ca -0.20 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.19 3im1 h VAL 2041Cb 2.00 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 3im1 h VAL 2041CO 0.25 0.07 0.32 0.00 0.02 0.00 0.00 177.57 178.22 3im1 h ALA 2042N 1.28 0.61 -0.84 1.67 0.00 -0.73 -1.39 119.26 119.87 3im1 h ALA 2042Ca 0.22 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.17 3im1 h ALA 2042Cb 0.18 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3im1 h ALA 2042CO -0.19 0.05 0.50 0.00 0.00 0.00 0.00 179.25 179.61 3im1 h ALA 2043N 1.18 1.18 0.24 0.00 0.00 -1.29 0.92 119.26 121.49 3im1 h ALA 2043Ca 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3im1 h ALA 2043Cb -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3im1 h ALA 2043CO -0.05 0.19 -0.12 0.35 0.00 0.00 0.00 179.25 179.62 3im1 h PHE 2044N 0.88 -0.30 -0.84 0.00 3.57 -1.34 -3.23 116.94 115.69 3im1 h PHE 2044Ca 0.39 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.91 3im1 h PHE 2044Cb 0.27 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 3im1 h PHE 2044CO -0.05 0.03 0.54 0.28 -2.23 0.00 0.00 178.31 176.89 3im1 h VAL 2045N -0.67 1.15 -1.00 1.41 2.07 -1.09 -1.76 116.25 116.36 3im1 h VAL 2045Ca -0.03 -0.36 0.19 0.00 0.82 0.00 0.00 66.70 67.31 3im1 h VAL 2045Cb 0.47 -0.01 -0.10 0.00 -1.52 0.00 0.00 31.29 30.13 3im1 h VAL 2045CO 0.05 0.19 0.61 0.78 0.02 0.00 0.00 177.57 179.23 3im1 h ASN 2046N 1.06 0.78 -0.12 0.57 -0.26 -0.85 -2.99 115.58 113.77 3im1 h ASN 2046Ca 0.33 0.09 0.00 0.00 -0.56 0.00 0.00 56.30 56.16 3im1 h ASN 2046Cb -0.02 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.19 3im1 h ASN 2046CO -0.11 0.29 0.00 0.59 -1.06 0.00 0.00 177.43 177.14 3im1 n ASN 2047N -4.75 2.14 -4.69 5.81 4.13 -1.08 -4.98 115.26 111.84 3im1 n ASN 2047Ca 0.23 -1.64 -0.42 0.00 1.68 0.00 0.00 54.58 54.43 3im1 n ASN 2047Cb 0.57 -0.08 -0.03 0.00 -1.54 0.00 0.00 39.78 38.70 3im1 n ASN 2047CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3im1 s TYR 2048N -0.83 2.48 0.38 3.10 5.04 -0.68 -4.95 117.35 121.89 3im1 s TYR 2048Ca 0.13 0.36 -0.25 0.00 -2.44 0.00 0.00 57.07 54.86 3im1 s TYR 2048Cb 0.08 -3.95 -0.09 0.00 0.35 0.00 0.00 41.96 38.35 3im1 s TYR 2048CO 0.11 -3.79 1.08 -1.25 -1.34 0.00 0.00 175.55 170.37 3im1 s PRO 2049N 2.53 4.23 -0.33 4.97 0.04 -1.26 -5.03 135.00 140.14 3im1 s PRO 2049Ca 0.73 1.64 -0.00 0.00 0.04 0.00 0.00 61.00 63.41 3im1 s PRO 2049Cb -0.40 -2.70 0.11 0.00 0.04 0.00 0.00 34.50 31.55 3im1 s PRO 2049CO 0.32 -0.11 0.13 1.21 0.04 0.00 0.00 177.00 178.59 3im1 s ASN 2050N -1.33 3.91 0.16 6.66 3.84 -1.26 -4.86 114.94 122.07 3im1 s ASN 2050Ca 0.55 -1.83 0.08 0.00 0.21 0.00 0.00 52.86 51.87 3im1 s ASN 2050Cb -0.26 -0.87 -0.04 0.00 -0.55 0.00 0.00 41.25 39.53 3im1 s ASN 2050CO 0.33 -0.39 -0.08 0.68 -2.79 0.00 0.00 177.10 174.85 3im1 s VAL 2051N 1.38 3.33 -0.13 -5.21 -7.23 -1.26 -4.11 120.40 107.17 3im1 s VAL 2051Ca 0.12 -1.53 0.02 0.00 -1.81 0.00 0.00 61.98 58.77 3im1 s VAL 2051Cb -0.19 -2.64 -0.00 0.00 0.56 0.00 0.00 36.38 34.12 3im1 s VAL 2051CO -0.20 -0.06 -0.20 -1.61 -0.31 0.00 0.00 175.10 172.72 3im1 s GLU 2052N -2.72 3.13 -0.18 4.82 0.41 0.20 -4.96 118.70 119.40 3im1 s GLU 2052Ca 0.25 -0.81 -0.07 0.00 -0.41 0.00 0.00 54.97 53.93 3im1 s GLU 2052Cb -0.09 -2.47 -0.04 0.00 -1.78 0.00 0.00 34.13 29.75 3im1 s GLU 2052CO 0.16 0.09 0.05 -1.17 -0.49 0.00 0.00 175.26 173.90 3im1 s LEU 2053N 0.59 3.75 0.17 1.80 2.96 -1.26 -1.79 118.68 124.88 3im1 s LEU 2053Ca -0.11 0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 3im1 s LEU 2053Cb -0.16 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 3im1 s LEU 2053CO 0.03 0.18 0.14 0.42 -1.32 0.00 0.00 176.35 175.80 3im1 s THR 2054N 0.33 0.06 0.14 3.68 -4.23 -0.76 -5.01 115.64 109.84 3im1 s THR 2054Ca 0.02 -1.84 -0.11 0.00 -1.18 0.00 0.00 61.69 58.58 3im1 s THR 2054Cb -0.13 -2.18 0.01 0.00 1.34 0.00 0.00 72.50 71.54 3im1 s THR 2054CO 0.00 -0.25 0.30 -0.72 -0.54 0.00 0.00 174.62 173.42 3im1 s TYR 2055N -4.07 0.16 -0.08 3.99 -0.85 -1.26 -1.04 117.35 114.20 3im1 s TYR 2055Ca 0.28 -0.53 -0.04 0.00 -0.52 0.00 0.00 57.07 56.26 3im1 s TYR 2055Cb 0.06 0.05 0.04 0.00 0.38 0.00 0.00 41.96 42.49 3im1 s TYR 2055CO 0.06 -0.69 0.18 -1.54 -1.52 0.00 0.00 175.55 172.03 3im1 s SER 2056N -2.90 -0.16 -0.29 -0.18 1.04 -0.25 -4.99 113.70 105.97 3im1 s SER 2056Ca 0.10 0.36 -0.13 0.00 0.48 0.00 0.00 55.95 56.77 3im1 s SER 2056Cb 0.03 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 3im1 s SER 2056CO -0.06 -0.14 0.27 -0.22 0.98 0.00 0.00 173.24 174.08 3im1 s LEU 2057N 0.99 4.12 0.00 2.42 2.96 -1.26 -1.68 118.68 126.23 3im1 s LEU 2057Ca -0.07 0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 3im1 s LEU 2057Cb -0.09 -2.24 -0.00 0.00 0.50 0.00 0.00 46.19 44.35 3im1 s LEU 2057CO -0.05 -0.14 0.74 0.59 -1.32 0.00 0.00 176.35 176.16 3im1 n ASN 2058N 5.19 -0.02 -3.13 3.68 5.03 -1.24 -3.12 115.26 121.64 3im1 n ASN 2058Ca -0.12 0.75 -0.24 0.00 0.87 0.00 0.00 54.58 55.85 3im1 n ASN 2058Cb 0.51 -0.36 -0.05 0.00 -1.02 0.00 0.00 39.78 38.86 3im1 n ASN 2058CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 3im1 n ASN 2059N -2.79 2.57 -0.35 6.41 6.94 -1.26 -4.98 115.26 121.80 3im1 n ASN 2059Ca 0.00 -3.29 0.28 0.00 -0.02 0.00 0.00 54.58 51.55 3im1 n ASN 2059Cb 0.01 -0.61 0.58 0.00 -2.36 0.00 0.00 39.78 37.40 3im1 n ASN 2059CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 3im1 h SER 2060N 3.31 0.33 -0.08 0.53 4.64 -1.97 -0.52 113.55 119.78 3im1 h SER 2060Ca 0.12 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3im1 h SER 2060Cb 0.73 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3im1 h SER 2060CO 0.67 0.02 0.00 0.47 -0.87 0.00 0.00 176.83 177.12 3im1 n ASP 2061N -4.56 0.74 -2.72 4.97 9.92 -1.26 -4.06 116.55 119.58 3im1 n ASP 2061Ca 0.28 -2.03 -0.04 0.00 -0.53 0.00 0.00 54.79 52.47 3im1 n ASP 2061Cb 1.05 -0.17 0.08 0.00 -0.64 0.00 0.00 41.12 41.44 3im1 n ASP 2061CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3im1 n SER 2062N -0.17 0.13 -4.71 -2.24 7.64 -0.20 -5.08 113.62 108.99 3im1 n SER 2062Ca 0.03 -2.35 -0.42 0.00 1.01 0.00 0.00 58.87 57.14 3im1 n SER 2062Cb 0.15 0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 3im1 n SER 2062CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3im1 s LEU 2063N -3.56 4.38 -0.12 -3.43 1.43 -1.26 -4.98 118.68 111.14 3im1 s LEU 2063Ca 0.22 1.71 0.02 0.00 -1.03 0.00 0.00 54.13 55.05 3im1 s LEU 2063Cb 0.40 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 43.05 3im1 s LEU 2063CO -0.05 -0.27 -0.20 -0.63 0.23 0.00 0.00 176.35 175.43 3im1 s ILE 2064N 0.95 2.37 0.14 -0.59 -1.09 -1.26 -0.88 121.20 120.85 3im1 s ILE 2064Ca 0.52 -0.90 -0.34 0.00 -2.23 0.00 0.00 60.65 57.70 3im1 s ILE 2064Cb -0.22 -1.94 -0.14 0.00 -1.58 0.00 0.00 42.46 38.57 3im1 s ILE 2064CO 0.28 0.55 1.54 -0.24 -1.23 0.00 0.00 174.94 175.83 3im1 n SER 2065N 3.64 2.82 0.00 3.58 2.88 -1.26 -2.32 113.62 122.97 3im1 n SER 2065Ca -0.19 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 3im1 n SER 2065Cb 0.53 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 3im1 n SER 2065CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3im1 n GLY 2066N 3.25 2.15 3.74 0.46 0.00 -0.67 -4.98 105.19 109.15 3im1 n GLY 2066Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3im1 n GLY 2066CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3im1 s VAL 2067N -2.78 4.23 0.01 1.61 1.01 -0.98 -4.70 120.40 118.80 3im1 s VAL 2067Ca 0.00 2.03 -0.30 0.00 0.00 0.00 0.00 61.98 63.71 3im1 s VAL 2067Cb 0.00 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 3im1 s VAL 2067CO 0.00 0.40 1.61 -1.59 0.00 0.00 0.00 175.10 175.52 3im1 s LYS 2068N -0.61 4.21 -0.03 2.72 0.00 -1.26 -1.83 119.74 122.94 3im1 s LYS 2068Ca 0.44 2.21 0.07 0.00 0.00 0.00 0.00 55.97 58.70 3im1 s LYS 2068Cb -0.25 -3.73 -0.02 0.00 0.00 0.00 0.00 37.83 33.82 3im1 s LYS 2068CO 0.31 -0.74 -0.25 -1.14 0.00 0.00 0.00 175.35 173.53 3im1 s GLN 2069N 3.10 2.18 -0.05 1.78 2.00 0.10 -4.95 119.66 123.81 3im1 s GLN 2069Ca 0.72 -0.90 -0.03 0.00 -2.00 0.00 0.00 55.36 53.14 3im1 s GLN 2069Cb -0.36 -2.08 -0.04 0.00 0.80 0.00 0.00 33.01 31.33 3im1 s GLN 2069CO 0.30 0.55 0.11 0.15 -0.50 0.00 0.00 175.29 175.91 3im1 s LYS 2070N -0.59 3.27 -0.01 1.67 1.02 -1.26 -1.04 119.74 122.79 3im1 s LYS 2070Ca 0.09 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.79 3im1 s LYS 2070Cb -0.10 -3.01 -0.00 0.00 -0.52 0.00 0.00 37.83 34.19 3im1 s LYS 2070CO -0.01 0.70 -0.09 -1.50 -0.92 0.00 0.00 175.35 173.54 3im1 s ILE 2071N -1.13 0.73 -0.21 2.17 2.07 -0.07 -3.63 121.20 121.13 3im1 s ILE 2071Ca 0.20 -0.38 -0.08 0.00 -1.41 0.00 0.00 60.65 58.98 3im1 s ILE 2071Cb -0.12 -0.63 -0.04 0.00 0.13 0.00 0.00 42.46 41.80 3im1 s ILE 2071CO 0.10 0.21 0.10 -0.89 -1.91 0.00 0.00 174.94 172.55 3im1 s THR 2072N -0.11 4.94 -0.15 4.00 2.01 -0.68 -1.05 115.64 124.61 3im1 s THR 2072Ca 0.02 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.05 3im1 s THR 2072Cb -0.05 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.20 3im1 s THR 2072CO -0.00 0.41 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.54 3im1 s ILE 2073N 0.71 2.49 -0.09 1.82 1.01 0.88 -1.09 121.20 126.92 3im1 s ILE 2073Ca 0.05 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.88 3im1 s ILE 2073Cb -0.13 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 3im1 s ILE 2073CO 0.02 0.52 -0.11 -1.58 0.00 0.00 0.00 174.94 173.79 3im1 s GLN 2074N 0.82 3.01 -0.08 2.79 0.74 -0.20 0.22 119.66 126.95 3im1 s GLN 2074Ca -0.06 -0.64 0.02 0.00 0.05 0.00 0.00 55.36 54.73 3im1 s GLN 2074Cb -0.15 -2.57 0.01 0.00 1.10 0.00 0.00 33.01 31.40 3im1 s GLN 2074CO -0.01 0.44 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.53 3im1 s LEU 2075N -0.22 1.62 -0.00 3.68 1.43 0.62 -1.83 118.68 123.97 3im1 s LEU 2075Ca 0.01 -0.34 0.06 0.00 -1.03 0.00 0.00 54.13 52.84 3im1 s LEU 2075Cb -0.13 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.17 3im1 s LEU 2075CO 0.03 0.01 -0.19 0.42 0.23 0.00 0.00 176.35 176.85 3im1 s THR 2076N 0.86 1.54 0.16 5.49 -4.23 -0.74 -1.72 115.64 117.00 3im1 s THR 2076Ca -0.10 -0.91 0.05 0.00 -1.18 0.00 0.00 61.69 59.54 3im1 s THR 2076Cb -0.15 -1.30 -0.04 0.00 1.34 0.00 0.00 72.50 72.35 3im1 s THR 2076CO 0.01 0.37 0.14 -0.13 -0.54 0.00 0.00 174.62 174.47 3im1 s ARG 2077N -0.63 2.91 0.20 3.99 0.52 0.29 -0.63 118.95 125.59 3im1 s ARG 2077Ca 0.07 -0.86 -0.03 0.00 -0.52 0.00 0.00 55.73 54.38 3im1 s ARG 2077Cb -0.08 -2.65 0.14 0.00 0.52 0.00 0.00 34.95 32.88 3im1 s ARG 2077CO -0.00 0.48 1.54 0.22 0.02 0.00 0.00 175.30 177.57 3im1 h ASP 2078N 2.40 0.67 -4.00 0.23 1.82 -1.86 -3.44 116.42 112.24 3im1 h ASP 2078Ca -0.48 -0.32 -0.31 0.00 -0.39 0.00 0.00 57.03 55.53 3im1 h ASP 2078Cb 1.20 -0.19 -0.28 0.00 0.68 0.00 0.00 39.33 40.75 3im1 h ASP 2078CO 0.63 1.02 -0.75 -0.69 -1.61 0.00 0.00 179.24 177.85 3im1 s VAL 2079N -4.18 0.41 0.14 2.25 1.01 -1.26 -5.13 120.40 113.64 3im1 s VAL 2079Ca -0.08 -0.31 -0.31 0.00 0.00 0.00 0.00 61.98 61.28 3im1 s VAL 2079Cb 0.12 -0.36 -0.10 0.00 0.00 0.00 0.00 36.38 36.03 3im1 s VAL 2079CO 0.84 0.06 1.73 -0.70 0.00 0.00 0.00 175.10 177.03 3im1 s GLU 2080N -0.28 4.16 0.47 2.72 2.12 -1.26 -4.83 118.70 121.80 3im1 s GLU 2080Ca 0.01 2.52 -0.22 0.00 0.36 0.00 0.00 54.97 57.63 3im1 s GLU 2080Cb -0.03 -3.38 -0.07 0.00 0.26 0.00 0.00 34.13 30.91 3im1 s GLU 2080CO -0.00 -0.76 1.14 -1.25 -0.54 0.00 0.00 175.26 173.85 3im1 s PRO 2081N 2.04 3.74 0.16 4.30 0.04 -1.26 -4.95 135.00 139.07 3im1 s PRO 2081Ca 0.76 1.70 -0.13 0.00 0.04 0.00 0.00 61.00 63.38 3im1 s PRO 2081Cb -0.46 -2.34 0.05 0.00 0.04 0.00 0.00 34.50 31.79 3im1 s PRO 2081CO 0.34 -0.55 1.71 1.05 0.04 0.00 0.00 177.00 179.58 3im1 h GLU 2082N 1.94 0.80 0.00 4.56 4.11 -1.94 -3.48 114.58 120.57 3im1 h GLU 2082Ca -0.49 -0.15 0.02 0.00 0.07 0.00 0.00 59.36 58.80 3im1 h GLU 2082Cb 1.25 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 3im1 h GLU 2082CO 0.60 0.71 0.26 0.27 0.07 0.00 0.00 179.01 180.92 3im1 n ASN 2083N -4.51 -1.55 -0.34 3.06 0.23 -1.26 -5.07 115.26 105.81 3im1 n ASN 2083Ca 0.02 -2.01 0.09 0.00 -0.53 0.00 0.00 54.58 52.15 3im1 n ASN 2083Cb 0.16 2.57 0.17 0.00 -2.08 0.00 0.00 39.78 40.60 3im1 n ASN 2083CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3im1 n LEU 2084N 0.00 2.79 -4.63 -4.53 4.77 -1.26 -5.01 117.00 109.13 3im1 n LEU 2084Ca -0.05 -3.17 -0.43 0.00 -0.03 0.00 0.00 56.01 52.33 3im1 n LEU 2084Cb 0.42 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 3im1 n LEU 2084CO 0.19 0.78 1.29 -1.58 -1.33 0.00 0.00 177.39 176.74 3im1 s GLN 2085N -2.91 3.86 0.28 3.23 0.74 -1.26 -0.74 119.66 122.85 3im1 s GLN 2085Ca 0.35 1.56 -0.29 0.00 0.05 0.00 0.00 55.36 57.03 3im1 s GLN 2085Cb 0.31 -3.98 -0.10 0.00 1.10 0.00 0.00 33.01 30.34 3im1 s GLN 2085CO 0.03 -1.21 1.23 0.08 -0.55 0.00 0.00 175.29 174.88 3im1 s VAL 2086N 4.86 3.11 -0.27 1.34 1.01 -0.39 -4.95 120.40 125.10 3im1 s VAL 2086Ca 0.67 1.06 -0.15 0.00 0.00 0.00 0.00 61.98 63.55 3im1 s VAL 2086Cb -0.23 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3im1 s VAL 2086CO 0.27 0.23 0.39 -0.89 0.00 0.00 0.00 175.10 175.10 3im1 s THR 2087N -0.86 5.16 -0.09 3.92 2.01 -1.26 -4.67 115.64 119.85 3im1 s THR 2087Ca 0.49 0.58 -0.03 0.00 0.31 0.00 0.00 61.69 63.03 3im1 s THR 2087Cb -0.36 -3.72 0.05 0.00 0.01 0.00 0.00 72.50 68.48 3im1 s THR 2087CO 0.45 0.13 0.16 -0.55 -0.69 0.00 0.00 174.62 174.13 3im1 s SER 2088N 1.64 0.79 0.19 3.53 0.15 -0.80 -4.97 113.70 114.24 3im1 s SER 2088Ca 0.16 0.31 -0.11 0.00 0.70 0.00 0.00 55.95 57.01 3im1 s SER 2088Cb -0.16 0.28 0.12 0.00 -1.71 0.00 0.00 66.02 64.55 3im1 s SER 2088CO 0.10 -0.25 1.80 -0.08 1.20 0.00 0.00 173.24 176.01 3im1 h GLU 2089N 8.36 0.97 0.00 5.44 4.81 -1.86 -3.34 114.58 128.97 3im1 h GLU 2089Ca -0.13 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 58.84 3im1 h GLU 2089Cb 1.12 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 3im1 h GLU 2089CO 0.15 0.74 -1.71 1.63 -0.73 0.00 0.00 179.01 179.09 3im1 n LYS 2090N -4.49 0.64 -3.14 1.92 4.76 -1.26 -4.81 118.16 111.78 3im1 n LYS 2090Ca 0.06 0.04 -0.41 0.00 -2.87 0.00 0.00 58.31 55.12 3im1 n LYS 2090Cb 0.10 -1.67 -0.07 0.00 -1.84 0.00 0.00 35.03 31.55 3im1 n LYS 2090CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3im1 s TYR 2091N -3.08 3.20 -1.95 2.13 5.04 -1.25 -4.97 117.35 116.46 3im1 s TYR 2091Ca -0.05 0.48 0.29 0.00 -2.44 0.00 0.00 57.07 55.34 3im1 s TYR 2091Cb 0.10 -2.99 1.19 0.00 0.35 0.00 0.00 41.96 40.61 3im1 s TYR 2091CO 0.84 -0.50 1.83 -0.35 -1.34 0.00 0.00 175.55 176.03 3im1 n PRO 2092N 5.86 1.03 -4.00 4.97 -0.04 -1.26 -4.78 135.00 136.78 3im1 n PRO 2092Ca -0.02 -0.45 -0.25 0.00 -0.04 0.00 0.00 63.50 62.74 3im1 n PRO 2092Cb 0.49 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 3im1 n PRO 2092CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3im1 s PHE 2093N -2.28 3.35 0.30 0.54 0.08 -1.26 -1.78 117.98 116.93 3im1 s PHE 2093Ca 0.33 0.03 -0.30 0.00 0.12 0.00 0.00 56.93 57.12 3im1 s PHE 2093Cb 0.20 -1.58 -0.11 0.00 -0.57 0.00 0.00 43.02 40.97 3im1 s PHE 2093CO 0.43 0.50 1.54 0.34 -0.10 0.00 0.00 175.22 177.93 3im1 s ASP 2094N -3.40 6.43 -0.01 1.36 2.15 0.12 -4.65 116.67 118.67 3im1 s ASP 2094Ca 0.33 2.91 -0.00 0.00 0.43 0.00 0.00 52.55 56.22 3im1 s ASP 2094Cb -0.10 -2.64 0.02 0.00 -0.30 0.00 0.00 42.92 39.90 3im1 s ASP 2094CO 0.27 -0.86 0.02 -0.75 -0.17 0.00 0.00 175.17 173.68 3im1 s LYS 2095N -0.79 -0.02 -0.14 4.34 2.47 -1.26 -4.84 119.74 119.51 3im1 s LYS 2095Ca 0.60 0.11 -0.07 0.00 -1.56 0.00 0.00 55.97 55.05 3im1 s LYS 2095Cb -0.46 -0.14 -0.04 0.00 -1.46 0.00 0.00 37.83 35.73 3im1 s LYS 2095CO 0.50 -0.09 0.11 -0.51 0.16 0.00 0.00 175.35 175.51 3im1 s LEU 2096N 0.60 4.15 0.12 5.43 1.43 -1.26 -1.27 118.68 127.88 3im1 s LEU 2096Ca -0.05 0.32 -0.31 0.00 -1.03 0.00 0.00 54.13 53.06 3im1 s LEU 2096Cb -0.07 -2.02 -0.09 0.00 0.03 0.00 0.00 46.19 44.04 3im1 s LEU 2096CO -0.02 0.33 1.51 -0.70 0.23 0.00 0.00 176.35 177.71 3im1 s GLU 2097N -0.56 4.25 0.17 1.70 2.12 0.08 -4.93 118.70 121.53 3im1 s GLU 2097Ca 0.12 2.24 0.03 0.00 0.36 0.00 0.00 54.97 57.72 3im1 s GLU 2097Cb -0.12 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 30.93 3im1 s GLU 2097CO 0.02 -0.57 -0.05 0.45 -0.54 0.00 0.00 175.26 174.57 3im1 s SER 2098N 1.41 1.59 0.03 -1.70 0.15 -1.26 -4.70 113.70 109.21 3im1 s SER 2098Ca 0.69 -1.10 0.02 0.00 0.70 0.00 0.00 55.95 56.25 3im1 s SER 2098Cb -0.40 0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 63.93 3im1 s SER 2098CO 0.31 -0.45 -0.07 0.26 1.20 0.00 0.00 173.24 174.48 3im1 s TRP 2099N -3.46 0.62 -0.18 3.44 0.52 -0.21 -1.02 118.94 118.63 3im1 s TRP 2099Ca 0.21 -0.42 -0.08 0.00 0.02 0.00 0.00 56.10 55.83 3im1 s TRP 2099Cb 0.04 -0.38 -0.04 0.00 -1.15 0.00 0.00 33.47 31.94 3im1 s TRP 2099CO 0.03 -0.07 0.08 -1.58 0.02 0.00 0.00 176.95 175.43 3im1 s TRP 2100N -1.14 3.30 -0.23 -1.98 0.51 0.01 -0.82 118.94 118.59 3im1 s TRP 2100Ca -0.08 0.15 -0.11 0.00 -2.12 0.00 0.00 56.10 53.94 3im1 s TRP 2100Cb -0.08 -2.09 -0.05 0.00 -0.81 0.00 0.00 33.47 30.43 3im1 s TRP 2100CO 0.00 0.20 0.18 -0.51 -0.51 0.00 0.00 176.95 176.31 3im1 s LEU 2101N 0.33 4.13 -0.07 2.99 1.02 0.41 -1.19 118.68 126.30 3im1 s LEU 2101Ca 0.05 0.16 0.02 0.00 0.02 0.00 0.00 54.13 54.38 3im1 s LEU 2101Cb -0.12 -2.14 0.02 0.00 0.02 0.00 0.00 46.19 43.97 3im1 s LEU 2101CO -0.00 0.07 -0.11 -0.69 0.02 0.00 0.00 176.35 175.64 3im1 s VAL 2102N 0.97 1.03 -0.14 -1.59 1.01 -0.16 -1.56 120.40 119.97 3im1 s VAL 2102Ca 0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 3im1 s VAL 2102Cb -0.13 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 3im1 s VAL 2102CO 0.04 0.34 -0.07 -0.22 0.00 0.00 0.00 175.10 175.19 3im1 s LEU 2103N 0.81 3.11 0.00 3.92 2.96 -0.78 -0.70 118.68 127.99 3im1 s LEU 2103Ca -0.12 -0.16 -0.06 0.00 -0.22 0.00 0.00 54.13 53.57 3im1 s LEU 2103Cb -0.15 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.84 3im1 s LEU 2103CO 0.02 0.20 0.36 0.61 -1.32 0.00 0.00 176.35 176.22 3im1 n GLY 2104N 3.33 1.66 2.74 7.98 0.00 -0.57 -0.23 105.19 120.10 3im1 n GLY 2104Ca -0.18 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.39 3im1 n GLY 2104CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3im1 s GLU 2105N -2.09 0.73 0.21 1.61 2.12 0.33 -1.43 118.70 120.17 3im1 s GLU 2105Ca 0.08 -0.58 -0.10 0.00 0.36 0.00 0.00 54.97 54.73 3im1 s GLU 2105Cb -0.02 -2.10 0.15 0.00 0.26 0.00 0.00 34.13 32.42 3im1 s GLU 2105CO 0.06 -0.71 1.86 0.28 -0.54 0.00 0.00 175.26 176.22 3im1 h VAL 2106N 6.52 1.20 0.00 3.70 2.07 -1.84 -2.04 116.25 125.86 3im1 h VAL 2106Ca -0.16 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3im1 h VAL 2106Cb 1.09 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3im1 h VAL 2106CO 0.37 0.20 -0.02 0.77 0.02 0.00 0.00 177.57 178.91 3im1 h SER 2107N 1.01 0.00 -0.12 0.57 4.64 -1.97 -1.96 113.55 115.73 3im1 h SER 2107Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3im1 h SER 2107Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3im1 h SER 2107CO -0.05 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 3im1 n LYS 2108N -3.31 1.49 -4.25 4.77 5.02 -0.81 -4.97 118.16 116.10 3im1 n LYS 2108Ca -0.02 -1.59 -0.36 0.00 -2.02 0.00 0.00 58.31 54.31 3im1 n LYS 2108Cb 0.14 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 3im1 n LYS 2108CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3im1 n LYS 2109N 0.87 -2.83 -5.00 1.97 5.02 -0.74 -4.94 118.16 112.51 3im1 n LYS 2109Ca 0.10 0.34 -0.32 0.00 -2.02 0.00 0.00 58.31 56.41 3im1 n LYS 2109Cb 0.41 -4.98 -0.14 0.00 -0.02 0.00 0.00 35.03 30.29 3im1 n LYS 2109CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3im1 s GLU 2110N -6.96 2.64 -0.19 1.97 2.12 -1.03 -2.05 118.70 115.20 3im1 s GLU 2110Ca 0.69 -0.77 -0.06 0.00 0.36 0.00 0.00 54.97 55.19 3im1 s GLU 2110Cb -0.38 -2.34 -0.03 0.00 0.26 0.00 0.00 34.13 31.63 3im1 s GLU 2110CO 0.94 0.49 0.03 -1.17 -0.54 0.00 0.00 175.26 175.01 3im1 s LEU 2111N -0.39 3.54 -0.14 2.70 0.20 -0.13 -0.51 118.68 123.95 3im1 s LEU 2111Ca 0.04 -0.06 0.18 0.00 0.69 0.00 0.00 54.13 54.98 3im1 s LEU 2111Cb -0.12 -1.90 -0.26 0.00 -0.43 0.00 0.00 46.19 43.48 3im1 s LEU 2111CO 0.02 0.12 0.17 -1.22 -0.29 0.00 0.00 176.35 175.15 3im1 n TYR 2112N 3.88 0.00 -3.51 5.38 4.01 0.68 -4.53 117.16 123.07 3im1 n TYR 2112Ca -0.17 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.41 3im1 n TYR 2112Cb 0.52 -0.81 -0.05 0.00 -0.31 0.00 0.00 39.34 38.69 3im1 n TYR 2112CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3im1 s ALA 2113N -2.72 -1.76 -0.12 -0.72 0.00 -1.07 -4.70 121.76 110.68 3im1 s ALA 2113Ca -0.09 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.96 3im1 s ALA 2113Cb 0.08 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.32 3im1 s ALA 2113CO 0.80 -0.44 0.34 -1.50 0.00 0.00 0.00 175.76 174.96 3im1 s ILE 2114N -1.63 0.00 -0.05 0.00 2.07 -1.26 -1.87 121.20 118.47 3im1 s ILE 2114Ca -0.08 -0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.10 3im1 s ILE 2114Cb -0.00 -0.48 0.03 0.00 0.13 0.00 0.00 42.46 42.13 3im1 s ILE 2114CO 0.05 -0.02 0.12 -0.75 -1.91 0.00 0.00 174.94 172.43 3im1 s LYS 2115N 0.07 0.09 -0.18 3.50 2.20 -0.60 -4.99 119.74 119.82 3im1 s LYS 2115Ca -0.01 0.26 -0.15 0.00 -0.36 0.00 0.00 55.97 55.71 3im1 s LYS 2115Cb -0.03 -0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 3im1 s LYS 2115CO 0.01 -0.10 0.35 0.21 -0.36 0.00 0.00 175.35 175.45 3im1 s LYS 2116N 0.70 4.21 0.08 4.03 2.20 -1.26 -0.45 119.74 129.26 3im1 s LYS 2116Ca -0.05 0.15 0.01 0.00 -0.36 0.00 0.00 55.97 55.72 3im1 s LYS 2116Cb -0.07 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 3im1 s LYS 2116CO -0.03 0.09 -0.06 0.14 -0.36 0.00 0.00 175.35 175.13 3im1 s VAL 2117N 0.92 0.59 -0.12 4.02 -7.23 -0.00 -4.99 120.40 113.58 3im1 s VAL 2117Ca 0.18 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 3im1 s VAL 2117Cb -0.14 -1.54 -0.01 0.00 0.56 0.00 0.00 36.38 35.25 3im1 s VAL 2117CO 0.06 -0.85 -0.16 0.42 -0.31 0.00 0.00 175.10 174.26 3im1 s THR 2118N -3.45 2.77 -1.11 5.32 -4.23 -1.26 -1.05 115.64 112.63 3im1 s THR 2118Ca 0.09 -0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 59.79 3im1 s THR 2118Cb 0.04 -2.14 0.28 0.00 1.34 0.00 0.00 72.50 72.02 3im1 s THR 2118CO -0.05 0.53 1.66 0.18 -0.54 0.00 0.00 174.62 176.40 3im1 n LEU 2119N 3.51 6.75 0.01 4.79 4.77 -1.26 -4.78 117.00 130.80 3im1 n LEU 2119Ca -0.18 -5.16 0.14 0.00 -0.03 0.00 0.00 56.01 50.78 3im1 n LEU 2119Cb 0.53 -1.28 0.59 0.00 -2.33 0.00 0.00 43.42 40.92 3im1 n LEU 2119CO 0.30 1.75 0.95 -0.46 -1.33 0.00 0.00 177.39 178.59 3im1 n ASN 2120N 1.40 0.10 -4.65 -1.43 6.94 -1.26 -4.88 115.26 111.48 3im1 n ASN 2120Ca 0.34 0.51 -0.26 0.00 -0.02 0.00 0.00 54.58 55.15 3im1 n ASN 2120Cb 0.32 -0.54 -0.09 0.00 -2.36 0.00 0.00 39.78 37.11 3im1 n ASN 2120CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3im1 s LYS 2121N -3.01 2.05 0.33 -3.83 1.02 -1.26 -4.56 119.74 110.48 3im1 s LYS 2121Ca 0.13 -1.92 0.06 0.00 0.02 0.00 0.00 55.97 54.26 3im1 s LYS 2121Cb 0.18 -1.82 0.60 0.00 -0.52 0.00 0.00 37.83 36.27 3im1 s LYS 2121CO 0.53 -0.00 1.83 1.49 -0.92 0.00 0.00 175.35 178.27 3im1 h GLU 2122N 1.70 0.37 -3.56 1.68 4.81 -1.90 -3.42 114.58 114.27 3im1 h GLU 2122Ca -0.43 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 58.53 3im1 h GLU 2122Cb 1.25 -0.04 -0.22 0.00 0.63 0.00 0.00 28.75 30.37 3im1 h GLU 2122CO 0.73 0.53 -0.54 -0.08 -0.73 0.00 0.00 179.01 178.93 3im1 s THR 2123N -4.65 0.07 -0.10 0.32 -1.32 -1.26 -0.55 115.64 108.15 3im1 s THR 2123Ca -0.06 -0.56 -0.29 0.00 -1.21 0.00 0.00 61.69 59.57 3im1 s THR 2123Cb 0.15 -0.35 0.07 0.00 -1.51 0.00 0.00 72.50 70.85 3im1 s THR 2123CO 0.76 -0.31 0.66 0.00 -2.21 0.00 0.00 174.62 173.53 3im1 s GLN 2124N -1.06 0.98 0.09 7.08 0.00 -0.70 -5.02 119.66 121.03 3im1 s GLN 2124Ca -0.11 0.40 0.07 0.00 -0.00 0.00 0.00 55.36 55.71 3im1 s GLN 2124Cb -0.06 0.47 -0.03 0.00 0.00 0.00 0.00 33.01 33.38 3im1 s GLN 2124CO 0.01 -0.27 -0.17 1.14 0.00 0.00 0.00 175.29 176.00 3im1 s GLN 2125N -0.84 0.97 0.04 9.60 -2.07 -1.26 -0.28 119.66 125.83 3im1 s GLN 2125Ca -0.09 -1.07 0.02 0.00 -1.82 0.00 0.00 55.36 52.41 3im1 s GLN 2125Cb -0.01 -1.09 -0.02 0.00 -1.09 0.00 0.00 33.01 30.80 3im1 s GLN 2125CO 0.08 0.25 -0.08 0.71 -1.32 0.00 0.00 175.29 174.92 3im1 s TYR 2126N -1.29 0.68 -0.20 9.60 2.02 0.13 -4.95 117.35 123.35 3im1 s TYR 2126Ca 0.03 -0.51 -0.06 0.00 -0.37 0.00 0.00 57.07 56.16 3im1 s TYR 2126Cb -0.10 -0.41 -0.03 0.00 -0.40 0.00 0.00 41.96 41.02 3im1 s TYR 2126CO 0.03 -0.08 0.03 -2.00 -1.57 0.00 0.00 175.55 171.96 3im1 s GLU 2127N -1.64 3.75 -0.04 -0.62 2.12 -1.26 -0.08 118.70 120.93 3im1 s GLU 2127Ca -0.09 -0.46 0.03 0.00 0.36 0.00 0.00 54.97 54.81 3im1 s GLU 2127Cb -0.10 -3.15 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 3im1 s GLU 2127CO 0.00 0.09 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.20 3im1 s LEU 2128N 0.83 2.97 -0.08 2.70 1.43 -0.22 -4.97 118.68 121.34 3im1 s LEU 2128Ca 0.02 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 3im1 s LEU 2128Cb -0.14 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 3im1 s LEU 2128CO 0.02 0.33 -0.10 -0.70 0.23 0.00 0.00 176.35 176.14 3im1 s GLU 2129N -0.94 2.91 0.15 1.70 2.12 -1.26 -0.89 118.70 122.47 3im1 s GLU 2129Ca 0.13 -0.61 -0.04 0.00 0.36 0.00 0.00 54.97 54.81 3im1 s GLU 2129Cb -0.11 -2.58 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 3im1 s GLU 2129CO 0.03 0.52 0.13 -0.59 -0.54 0.00 0.00 175.26 174.81 3im1 s PHE 2130N -0.44 0.73 -0.28 5.30 -0.12 -0.20 -4.79 117.98 118.18 3im1 s PHE 2130Ca 0.06 -1.09 -0.24 0.00 -0.05 0.00 0.00 56.93 55.61 3im1 s PHE 2130Cb -0.12 -0.35 -0.00 0.00 -0.63 0.00 0.00 43.02 41.92 3im1 s PHE 2130CO 0.02 -0.59 0.81 -0.51 -0.05 0.00 0.00 175.22 174.90 3im1 s ASP 2131N -3.03 6.75 -0.05 1.98 1.01 -1.26 -0.73 116.67 121.34 3im1 s ASP 2131Ca 0.23 0.85 -0.36 0.00 0.71 0.00 0.00 52.55 53.98 3im1 s ASP 2131Cb 0.06 -2.42 -0.14 0.00 1.01 0.00 0.00 42.92 41.43 3im1 s ASP 2131CO 0.02 -0.57 1.70 0.41 0.21 0.00 0.00 175.17 176.94 3im1 n THR 2132N 5.41 0.30 -0.40 -1.27 -1.04 -0.76 -4.87 114.28 111.65 3im1 n THR 2132Ca 0.05 -0.05 -0.29 0.00 -2.04 0.00 0.00 64.05 61.71 3im1 n THR 2132Cb 0.48 -1.48 0.27 0.00 -1.82 0.00 0.00 70.33 67.78 3im1 n THR 2132CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3im1 n PRO 2133N 4.99 -3.30 -0.64 -2.82 -0.04 -1.26 -1.66 135.00 130.26 3im1 n PRO 2133Ca 0.22 -0.95 -0.31 0.00 -0.04 0.00 0.00 63.50 62.42 3im1 n PRO 2133Cb 0.24 -2.07 0.19 0.00 -0.04 0.00 0.00 33.50 31.82 3im1 n PRO 2133CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3im1 n THR 2134N -5.28 0.00 -1.78 0.52 -2.24 -1.26 -4.37 114.28 99.87 3im1 n THR 2134Ca 0.05 -0.19 -0.38 0.00 -2.27 0.00 0.00 64.05 61.27 3im1 n THR 2134Cb 0.56 -0.89 0.05 0.00 -2.10 0.00 0.00 70.33 67.95 3im1 n THR 2134CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3im1 s SER 2135N -2.39 4.99 0.00 3.42 0.01 -1.26 -4.67 113.70 113.81 3im1 s SER 2135Ca 0.65 2.69 0.00 0.00 1.31 0.00 0.00 55.95 60.60 3im1 s SER 2135Cb -0.22 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.38 3im1 s SER 2135CO 0.62 -1.75 0.00 0.61 0.41 0.00 0.00 173.24 173.13 3im1 n GLY 2136N 0.79 -0.75 3.79 3.44 0.00 -0.94 -4.94 105.19 106.58 3im1 n GLY 2136Ca 0.13 -2.25 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 3im1 n GLY 2136CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3im1 s LYS 2137N -0.75 4.48 -0.01 1.61 -2.85 -1.26 -2.18 119.74 118.77 3im1 s LYS 2137Ca 0.00 1.14 -0.00 0.00 -1.00 0.00 0.00 55.97 56.11 3im1 s LYS 2137Cb 0.00 -2.96 0.02 0.00 -2.06 0.00 0.00 37.83 32.83 3im1 s LYS 2137CO 0.00 0.40 0.02 -1.01 0.10 0.00 0.00 175.35 174.87 3im1 s HIS 2138N -1.45 0.01 -0.42 1.78 3.76 -0.64 -5.01 115.29 113.32 3im1 s HIS 2138Ca 0.44 0.10 -0.13 0.00 -0.15 0.00 0.00 55.06 55.31 3im1 s HIS 2138Cb -0.19 -0.14 0.04 0.00 1.11 0.00 0.00 32.58 33.39 3im1 s HIS 2138CO 0.24 -0.06 0.29 -0.80 -0.85 0.00 0.00 174.74 173.56 3im1 s ASN 2139N 0.68 5.97 0.23 1.40 -0.87 -1.26 -0.84 114.94 120.25 3im1 s ASN 2139Ca -0.06 -1.09 0.05 0.00 -1.57 0.00 0.00 52.86 50.20 3im1 s ASN 2139Cb -0.08 -2.11 -0.03 0.00 -0.02 0.00 0.00 41.25 39.01 3im1 s ASN 2139CO -0.02 -0.49 0.33 -0.76 -2.57 0.00 0.00 177.10 173.59 3im1 s LEU 2140N 1.61 4.25 0.01 0.60 1.43 -0.21 -4.35 118.68 122.02 3im1 s LEU 2140Ca 0.04 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 3im1 s LEU 2140Cb -0.21 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.21 3im1 s LEU 2140CO 0.08 -0.05 -0.10 -0.89 0.23 0.00 0.00 176.35 175.62 3im1 s THR 2141N -1.97 0.74 -0.20 5.49 2.01 -0.52 -1.56 115.64 119.64 3im1 s THR 2141Ca 0.34 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 61.73 3im1 s THR 2141Cb -0.09 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 3im1 s THR 2141CO 0.28 0.10 0.04 -0.63 -0.69 0.00 0.00 174.62 173.73 3im1 s ILE 2142N -0.43 4.44 -0.07 1.82 1.01 -0.26 -1.51 121.20 126.19 3im1 s ILE 2142Ca 0.02 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.52 3im1 s ILE 2142Cb -0.05 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 3im1 s ILE 2142CO 0.00 0.43 -0.07 0.26 0.00 0.00 0.00 174.94 175.56 3im1 s TRP 2143N 0.75 2.92 -0.30 3.97 0.51 0.12 -1.87 118.94 125.05 3im1 s TRP 2143Ca 0.02 -0.02 0.02 0.00 -2.12 0.00 0.00 56.10 54.01 3im1 s TRP 2143Cb -0.14 -1.72 0.07 0.00 -0.81 0.00 0.00 33.47 30.88 3im1 s TRP 2143CO 0.02 0.30 -0.03 0.00 -0.51 0.00 0.00 176.95 176.73 3im1 s VAL 2145N 1.06 2.90 0.28 0.00 1.01 -0.34 -2.49 120.40 122.83 3im1 s VAL 2145Ca -0.01 -0.68 -0.25 0.00 0.00 0.00 0.00 61.98 61.04 3im1 s VAL 2145Cb -0.20 -2.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.83 3im1 s VAL 2145CO -0.05 0.49 0.89 0.00 0.00 0.00 0.00 175.10 176.43 3im1 n ASP 2147N 0.77 1.73 0.00 0.00 5.75 -0.19 -4.53 116.55 120.09 3im1 n ASP 2147Ca 0.00 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 3im1 n ASP 2147Cb 0.50 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 3im1 n ASP 2147CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3im1 n SER 2148N 0.36 0.03 -4.03 -1.12 7.64 -1.26 -3.96 113.62 111.27 3im1 n SER 2148Ca 0.18 -0.30 -0.08 0.00 1.01 0.00 0.00 58.87 59.69 3im1 n SER 2148Cb 0.38 0.49 -0.10 0.00 -1.01 0.00 0.00 64.21 63.97 3im1 n SER 2148CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3im1 s TYR 2149N -0.49 0.41 0.04 1.43 2.02 -1.26 -4.60 117.35 114.89 3im1 s TYR 2149Ca 0.00 -0.89 0.01 0.00 -0.37 0.00 0.00 57.07 55.82 3im1 s TYR 2149Cb 0.00 -0.30 -0.04 0.00 -0.40 0.00 0.00 41.96 41.22 3im1 s TYR 2149CO 0.00 -0.39 0.11 -0.51 -1.57 0.00 0.00 175.55 173.19 3im1 s LEU 2150N -2.70 3.96 -0.06 -1.29 1.02 -1.26 -4.67 118.68 113.68 3im1 s LEU 2150Ca 0.03 0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.30 3im1 s LEU 2150Cb 0.05 -2.47 0.00 0.00 0.02 0.00 0.00 46.19 43.79 3im1 s LEU 2150CO -0.09 0.22 0.00 -0.67 0.02 0.00 0.00 176.35 175.83 3im1 n ASP 2151N 0.77 -3.43 -0.97 2.29 2.03 -1.26 -4.91 116.55 111.07 3im1 n ASP 2151Ca -0.10 0.01 0.09 0.00 0.52 0.00 0.00 54.79 55.31 3im1 n ASP 2151Cb 0.52 -0.98 0.21 0.00 -0.72 0.00 0.00 41.12 40.15 3im1 n ASP 2151CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3im1 n ALA 2152N 1.01 2.33 -1.78 -1.67 0.00 -1.26 -5.02 120.51 114.13 3im1 n ALA 2152Ca -0.01 -1.09 -0.32 0.00 0.00 0.00 0.00 53.44 52.02 3im1 n ALA 2152Cb 0.08 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 3im1 n ALA 2152CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3im1 s ASP 2153N -1.13 6.33 0.07 0.00 1.01 -1.26 -4.74 116.67 116.95 3im1 s ASP 2153Ca 0.34 1.67 0.02 0.00 0.71 0.00 0.00 52.55 55.29 3im1 s ASP 2153Cb 0.19 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 3im1 s ASP 2153CO 0.25 -0.79 -0.08 -0.54 0.21 0.00 0.00 175.17 174.23 3im1 s LYS 2154N -4.03 0.69 0.13 8.23 -0.14 -1.04 -5.03 119.74 118.57 3im1 s LYS 2154Ca 0.61 -1.05 -0.11 0.00 -1.36 0.00 0.00 55.97 54.07 3im1 s LYS 2154Cb -0.12 -0.28 0.00 0.00 -1.68 0.00 0.00 37.83 35.75 3im1 s LYS 2154CO 0.32 0.03 0.28 -1.83 -0.76 0.00 0.00 175.35 173.39 3im1 s GLU 2155N -2.67 1.05 -0.16 1.68 -1.05 -1.26 -1.09 118.70 115.20 3im1 s GLU 2155Ca 0.01 -1.01 -0.12 0.00 -0.15 0.00 0.00 54.97 53.70 3im1 s GLU 2155Cb -0.03 0.39 0.05 0.00 -0.44 0.00 0.00 34.13 34.10 3im1 s GLU 2155CO -0.02 -0.38 0.41 -1.17 0.95 0.00 0.00 175.26 175.05 3im1 s LEU 2156N -2.90 0.23 0.03 1.83 0.20 -0.78 -5.01 118.68 112.29 3im1 s LEU 2156Ca 0.10 0.84 0.08 0.00 0.69 0.00 0.00 54.13 55.84 3im1 s LEU 2156Cb 0.03 1.36 -0.03 0.00 -0.43 0.00 0.00 46.19 47.13 3im1 s LEU 2156CO -0.06 -0.16 -0.21 -0.44 -0.29 0.00 0.00 176.35 175.19 3im1 s SER 2157N 0.70 3.55 -0.00 3.68 0.01 -1.26 -1.10 113.70 119.27 3im1 s SER 2157Ca -0.04 -0.47 -0.17 0.00 1.31 0.00 0.00 55.95 56.59 3im1 s SER 2157Cb -0.05 -0.50 0.03 0.00 0.21 0.00 0.00 66.02 65.71 3im1 s SER 2157CO -0.05 0.27 0.35 0.72 0.41 0.00 0.00 173.24 174.94 3im1 s PHE 2158N -0.85 -0.22 -0.03 2.43 -0.12 -0.60 -5.00 117.98 113.58 3im1 s PHE 2158Ca 0.13 0.31 -0.14 0.00 -0.05 0.00 0.00 56.93 57.18 3im1 s PHE 2158Cb -0.10 0.14 -0.05 0.00 -0.63 0.00 0.00 43.02 42.37 3im1 s PHE 2158CO 0.03 -0.44 0.38 -1.83 -0.05 0.00 0.00 175.22 173.31 3im1 s GLU 2159N -1.58 3.92 0.19 1.99 -1.05 -1.26 -1.04 118.70 119.87 3im1 s GLU 2159Ca -0.11 0.34 0.11 0.00 -0.15 0.00 0.00 54.97 55.15 3im1 s GLU 2159Cb -0.04 -3.25 -0.04 0.00 -0.44 0.00 0.00 34.13 30.36 3im1 s GLU 2159CO 0.03 0.63 -0.24 0.96 0.95 0.00 0.00 175.26 177.59 3im1 s ILE 2160N -0.83 2.35 -0.32 1.83 -4.36 -0.02 -4.98 121.20 114.87 3im1 s ILE 2160Ca 0.22 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 3im1 s ILE 2160Cb -0.16 -2.12 0.10 0.00 1.25 0.00 0.00 42.46 41.53 3im1 s ILE 2160CO 0.11 -0.09 0.09 0.21 0.24 0.00 0.00 174.94 175.50 3im1 s ASN 2161N -2.61 4.21 -0.01 4.36 3.84 -1.26 -1.62 114.94 121.84 3im1 s ASN 2161Ca 0.20 -1.76 -0.30 0.00 0.21 0.00 0.00 52.86 51.21 3im1 s ASN 2161Cb -0.08 -1.05 -0.04 0.00 -0.55 0.00 0.00 41.25 39.53 3im1 s ASN 2161CO 0.09 -0.41 1.17 -0.69 -2.79 0.00 0.00 177.10 174.48 3im1 s VAL 2162N 1.44 4.27 -2.00 -5.21 1.01 -0.93 -4.64 120.40 114.35 3im1 s VAL 2162Ca 0.10 1.61 0.05 0.00 0.00 0.00 0.00 61.98 63.74 3im1 s VAL 2162Cb -0.18 -4.04 0.13 0.00 0.00 0.00 0.00 36.38 32.30 3im1 s VAL 2162CO -0.21 0.05 0.75 0.29 0.00 0.00 0.00 175.10 175.99