#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbi n PRO -3 N 0.00 -1.96 -1.78 1.61 -0.02 -1.26 -4.45 135.00 127.14 2kbi n PRO -3 Ca 0.00 -0.55 0.00 0.00 -2.02 0.00 0.00 63.50 60.93 2kbi n PRO -3 Cb 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2kbi n PRO -3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kbi n GLY -2 N 1.48 0.39 0.34 -1.23 0.00 -1.26 -4.97 105.19 99.93 2kbi n GLY -2 Ca 0.02 -0.92 0.18 0.00 0.00 0.00 0.00 46.02 45.30 2kbi n GLY -2 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kbi h SER -1 N 0.00 0.00 0.00 1.61 0.02 -1.98 -3.38 113.55 109.82 2kbi h SER -1 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kbi h SER -1 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2kbi h SER -1 CO 0.00 0.00 0.00 1.21 -1.14 0.00 0.00 176.83 176.90 2kbi n GLU 1773N -3.45 0.00 -3.96 3.45 2.13 -1.26 -5.08 120.64 112.47 2kbi n GLU 1773Ca -0.00 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.47 2kbi n GLU 1773Cb 0.27 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.84 2kbi n GLU 1773CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2kbi s ASN 1774N -4.69 4.10 0.59 4.31 3.84 -1.26 -5.02 114.94 116.81 2kbi s ASN 1774Ca 0.00 -0.59 0.37 0.00 0.21 0.00 0.00 52.86 52.85 2kbi s ASN 1774Cb 0.00 -1.67 1.82 0.00 -0.55 0.00 0.00 41.25 40.85 2kbi s ASN 1774CO 0.00 -0.05 2.16 -0.26 -2.79 0.00 0.00 177.10 176.16 2kbi h PHE 1775N 8.05 0.00 -0.01 0.43 0.04 -1.96 -3.32 116.94 120.17 2kbi h PHE 1775Ca -0.39 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 59.84 2kbi h PHE 1775Cb 1.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 2kbi h PHE 1775CO 0.56 0.02 2.68 0.43 -0.60 0.00 0.00 178.31 181.40 2kbi n SER 1776N -3.20 7.80 0.20 2.17 7.64 -1.26 -4.74 113.62 122.22 2kbi n SER 1776Ca -0.01 -2.55 0.14 0.00 1.01 0.00 0.00 58.87 57.46 2kbi n SER 1776Cb 0.20 -1.52 0.70 0.00 -1.01 0.00 0.00 64.21 62.58 2kbi n SER 1776CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2kbi h VAL 1777N 2.72 0.00 0.00 0.44 -1.51 -2.01 -2.25 116.25 113.64 2kbi h VAL 1777Ca 0.69 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 66.10 2kbi h VAL 1777Cb 0.63 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 2kbi h VAL 1777CO 1.35 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.69 2kbi n ALA 1778N -1.85 2.53 -1.15 5.19 0.00 -1.26 -4.94 120.51 119.03 2kbi n ALA 1778Ca -0.01 -0.17 -0.33 0.00 0.00 0.00 0.00 53.44 52.93 2kbi n ALA 1778Cb 0.08 -1.48 0.11 0.00 0.00 0.00 0.00 19.45 18.17 2kbi n ALA 1778CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2kbi s THR 1779N -2.22 2.35 0.51 0.00 -1.32 -0.85 -5.04 115.64 109.08 2kbi s THR 1779Ca 0.38 0.15 -0.11 0.00 -1.21 0.00 0.00 61.69 60.90 2kbi s THR 1779Cb 0.20 -2.54 -0.05 0.00 -1.51 0.00 0.00 72.50 68.60 2kbi s THR 1779CO 0.38 -0.12 0.90 -0.70 -2.21 0.00 0.00 174.62 172.87 2kbi s GLU 1780N -4.24 3.70 0.34 7.08 2.56 -1.26 -5.00 118.70 121.88 2kbi s GLU 1780Ca 0.71 0.59 0.27 0.00 0.00 0.00 0.00 54.97 56.53 2kbi s GLU 1780Cb -0.26 -2.24 1.03 0.00 2.00 0.00 0.00 34.13 34.67 2kbi s GLU 1780CO 0.50 -0.29 1.79 1.49 -0.56 0.00 0.00 175.26 178.19 2kbi h GLU 1781N 0.44 0.00 -6.11 4.30 4.81 -2.01 -3.46 114.58 112.55 2kbi h GLU 1781Ca -0.46 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.19 2kbi h GLU 1781Cb 1.19 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.58 2kbi h GLU 1781CO 0.62 0.00 1.38 0.43 -0.73 0.00 0.00 179.01 180.72 2kbi n SER 1782N -2.51 3.42 -3.96 1.04 7.64 -1.26 -4.99 113.62 113.00 2kbi n SER 1782Ca 0.02 0.48 -0.15 0.00 1.01 0.00 0.00 58.87 60.23 2kbi n SER 1782Cb 0.29 -1.50 -0.09 0.00 -1.01 0.00 0.00 64.21 61.89 2kbi n SER 1782CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2kbi s THR 1783N 6.82 0.07 0.75 0.44 -4.23 -1.26 -5.17 115.64 113.06 2kbi s THR 1783Ca 0.98 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 59.34 2kbi s THR 1783Cb -0.44 -2.51 0.05 0.00 1.34 0.00 0.00 72.50 70.94 2kbi s THR 1783CO 0.40 0.00 1.19 -1.61 -0.54 0.00 0.00 174.62 174.06 2kbi s GLU 1784N -3.93 2.05 0.00 3.99 2.02 -1.26 -4.95 118.70 116.63 2kbi s GLU 1784Ca 0.39 1.71 0.24 0.00 0.02 0.00 0.00 54.97 57.32 2kbi s GLU 1784Cb 0.06 -1.83 1.16 0.00 0.10 0.00 0.00 34.13 33.62 2kbi s GLU 1784CO 0.17 -1.89 1.78 -0.35 0.02 0.00 0.00 175.26 174.99 2kbi n PRO 1785N -2.88 0.28 -4.20 0.39 -0.04 -1.26 -4.80 135.00 122.49 2kbi n PRO 1785Ca 0.13 0.07 -0.16 0.00 -0.04 0.00 0.00 63.50 63.50 2kbi n PRO 1785Cb 0.51 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 2kbi n PRO 1785CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kbi s LEU 1786N -2.64 2.38 0.33 1.53 1.43 -1.26 -5.03 118.68 115.42 2kbi s LEU 1786Ca 0.21 -0.78 0.02 0.00 -1.03 0.00 0.00 54.13 52.55 2kbi s LEU 1786Cb 0.16 -0.43 -0.01 0.00 0.03 0.00 0.00 46.19 45.94 2kbi s LEU 1786CO 0.37 -0.19 0.37 -0.55 0.23 0.00 0.00 176.35 176.58 2kbi s SER 1787N -2.33 1.24 0.41 2.29 0.15 -1.26 -5.06 113.70 109.15 2kbi s SER 1787Ca 0.05 -1.61 0.12 0.00 0.70 0.00 0.00 55.95 55.21 2kbi s SER 1787Cb -0.05 0.60 0.96 0.00 -1.71 0.00 0.00 66.02 65.82 2kbi s SER 1787CO 0.02 -1.17 1.96 -0.08 1.20 0.00 0.00 173.24 175.17 2kbi h GLU 1788N 2.15 0.48 -0.67 5.44 4.81 -2.02 -2.30 114.58 122.47 2kbi h GLU 1788Ca -0.27 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.96 2kbi h GLU 1788Cb 1.24 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 2kbi h GLU 1788CO 0.38 0.32 0.44 0.22 -0.73 0.00 0.00 179.01 179.64 2kbi h ASP 1789N 0.50 0.71 -0.31 1.04 3.58 -1.98 -0.13 116.42 119.82 2kbi h ASP 1789Ca 0.31 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.66 2kbi h ASP 1789Cb 0.55 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 2kbi h ASP 1789CO -0.10 0.49 -0.14 0.44 -2.88 0.00 0.00 179.24 177.05 2kbi h ASP 1790N 0.82 0.66 -0.38 2.28 3.32 -1.83 -1.27 116.42 120.03 2kbi h ASP 1790Ca 0.26 -0.40 -0.15 0.00 0.02 0.00 0.00 57.03 56.76 2kbi h ASP 1790Cb 0.03 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2kbi h ASP 1790CO -0.07 0.92 -0.33 -0.26 -1.72 0.00 0.00 179.24 177.78 2kbi h PHE 1791N 0.41 1.08 -0.30 4.55 0.04 -1.50 -0.88 116.94 120.34 2kbi h PHE 1791Ca 0.07 -0.30 0.02 0.00 2.80 0.00 0.00 57.97 60.56 2kbi h PHE 1791Cb 0.66 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 2kbi h PHE 1791CO 0.06 1.12 0.15 0.22 -0.60 0.00 0.00 178.31 179.26 2kbi h ASP 1792N 0.77 0.23 -0.54 2.17 3.58 -1.02 -1.31 116.42 120.29 2kbi h ASP 1792Ca 0.08 0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.57 2kbi h ASP 1792Cb 0.91 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.89 2kbi h ASP 1792CO 0.08 0.17 0.30 -0.03 -2.88 0.00 0.00 179.24 176.89 2kbi h MET 1793N 0.32 0.57 0.29 0.28 4.05 -1.13 -0.25 114.93 119.06 2kbi h MET 1793Ca 0.12 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 2kbi h MET 1793Cb 0.04 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.68 2kbi h MET 1793CO -0.08 0.38 -0.39 0.35 0.23 0.00 0.00 176.91 177.40 2kbi h PHE 1794N 0.59 -1.07 0.00 1.39 3.04 -0.87 -2.31 116.94 117.70 2kbi h PHE 1794Ca 0.23 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.14 2kbi h PHE 1794Cb 0.08 0.43 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 2kbi h PHE 1794CO -0.08 -0.52 -0.25 1.88 -2.02 0.00 0.00 178.31 177.31 2kbi h TYR 1795N -0.73 0.00 0.19 0.41 0.05 -1.14 -0.33 116.97 115.42 2kbi h TYR 1795Ca -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 2kbi h TYR 1795Cb 0.69 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.43 2kbi h TYR 1795CO -0.26 0.25 -0.09 1.49 -1.05 0.00 0.00 178.16 178.50 2kbi h GLU 1796N 0.00 -0.24 -0.26 4.88 4.57 -0.93 -3.20 114.58 119.40 2kbi h GLU 1796Ca -0.00 0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.11 2kbi h GLU 1796Cb 0.75 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.38 2kbi h GLU 1796CO 0.03 -0.04 -0.20 0.82 -1.18 0.00 0.00 179.01 178.45 2kbi h ILE 1797N -0.41 1.25 -0.52 2.32 1.08 -1.27 -3.31 117.51 116.65 2kbi h ILE 1797Ca -0.03 -1.16 0.09 0.00 -0.39 0.00 0.00 64.86 63.38 2kbi h ILE 1797Cb 0.32 1.27 -0.08 0.00 -3.07 0.00 0.00 36.82 35.26 2kbi h ILE 1797CO 0.04 0.37 0.08 -0.25 -0.69 0.00 0.00 178.15 177.70 2kbi h TRP 1798N 0.43 0.11 0.00 1.37 2.91 -1.05 -2.50 115.95 117.23 2kbi h TRP 1798Ca 0.07 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.12 2kbi h TRP 1798Cb 0.59 0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.27 2kbi h TRP 1798CO 0.02 -0.04 0.00 0.93 -1.03 0.00 0.00 178.44 178.32 2kbi h GLU 1799N 0.21 0.00 0.00 2.65 5.08 -1.65 -0.46 114.58 120.41 2kbi h GLU 1799Ca 0.26 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.58 2kbi h GLU 1799Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2kbi h GLU 1799CO -0.37 0.00 -0.22 0.87 -1.00 0.00 0.00 179.01 178.29 2kbi h LYS 1800N 0.00 0.00 0.00 2.33 1.57 -1.65 -3.10 116.57 115.72 2kbi h LYS 1800Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kbi h LYS 1800Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2kbi h LYS 1800CO 0.00 0.22 -1.39 1.19 -0.57 0.00 0.00 179.45 178.90 2kbi n PHE 1801N -3.68 0.00 -3.46 -1.35 3.01 -0.29 -4.72 117.46 106.97 2kbi n PHE 1801Ca -0.01 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.18 2kbi n PHE 1801Cb 0.34 -0.24 -0.09 0.00 -0.01 0.00 0.00 39.48 39.48 2kbi n PHE 1801CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2kbi n ASP 1802N -1.82 3.17 0.20 4.37 2.03 -0.56 -4.91 116.55 119.04 2kbi n ASP 1802Ca -0.01 -3.31 0.14 0.00 0.52 0.00 0.00 54.79 52.13 2kbi n ASP 1802Cb 0.32 -0.68 0.55 0.00 -0.72 0.00 0.00 41.12 40.59 2kbi n ASP 1802CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2kbi h PRO 1803N 4.36 0.00 0.00 -0.67 0.13 -1.83 -3.02 132.00 130.97 2kbi h PRO 1803Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2kbi h PRO 1803Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2kbi h PRO 1803CO 0.77 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.93 2kbi n GLU 1804N -2.67 0.18 -2.16 0.86 -0.58 -1.26 -4.94 120.64 110.07 2kbi n GLU 1804Ca 0.02 0.17 -0.14 0.00 -0.42 0.00 0.00 57.16 56.78 2kbi n GLU 1804Cb 0.30 -1.72 -0.02 0.00 -0.57 0.00 0.00 31.44 29.43 2kbi n GLU 1804CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kbi n ALA 1805N -1.70 -0.60 0.48 0.62 0.00 -1.14 -4.90 120.51 113.28 2kbi n ALA 1805Ca 0.06 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.77 2kbi n ALA 1805Cb 0.39 -1.63 0.46 0.00 0.00 0.00 0.00 19.45 18.67 2kbi n ALA 1805CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kbi n THR 1806N -3.12 0.74 -1.63 0.00 5.66 -1.26 -4.93 114.28 109.74 2kbi n THR 1806Ca -0.16 0.06 -0.15 0.00 -3.05 0.00 0.00 64.05 60.74 2kbi n THR 1806Cb 0.59 -0.96 -0.05 0.00 -1.55 0.00 0.00 70.33 68.36 2kbi n THR 1806CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kbi n GLN 1807N -2.22 -1.10 -4.21 1.09 1.13 -1.26 -5.03 117.38 105.78 2kbi n GLN 1807Ca 0.03 0.98 -0.20 0.00 -1.94 0.00 0.00 57.00 55.86 2kbi n GLN 1807Cb 0.29 -5.17 -0.12 0.00 0.11 0.00 0.00 30.24 25.36 2kbi n GLN 1807CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2kbi s PHE 1808N -2.61 1.43 0.12 1.08 0.08 -1.26 -1.46 117.98 115.36 2kbi s PHE 1808Ca 0.00 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.62 2kbi s PHE 1808Cb 0.00 -0.79 -0.04 0.00 -0.57 0.00 0.00 43.02 41.61 2kbi s PHE 1808CO 0.00 0.11 -0.05 0.96 -0.10 0.00 0.00 175.22 176.14 2kbi s ILE 1809N -1.23 0.71 0.43 0.64 -4.36 -0.84 -4.82 121.20 111.74 2kbi s ILE 1809Ca 0.01 -1.96 -0.22 0.00 -0.26 0.00 0.00 60.65 58.22 2kbi s ILE 1809Cb -0.10 -1.83 -0.09 0.00 1.25 0.00 0.00 42.46 41.69 2kbi s ILE 1809CO 0.03 -0.74 1.02 -1.61 0.24 0.00 0.00 174.94 173.88 2kbi s GLU 1810N -3.86 4.06 0.56 0.37 2.02 -1.26 -1.17 118.70 119.42 2kbi s GLU 1810Ca 0.16 1.39 0.25 0.00 0.02 0.00 0.00 54.97 56.78 2kbi s GLU 1810Cb 0.05 -2.33 1.60 0.00 0.10 0.00 0.00 34.13 33.55 2kbi s GLU 1810CO -0.02 -0.21 2.20 -0.92 0.02 0.00 0.00 175.26 176.33 2kbi h TYR 1811N 2.10 0.00 0.00 1.61 5.03 -1.49 -1.71 116.97 122.50 2kbi h TYR 1811Ca -0.49 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.82 2kbi h TYR 1811Cb 1.21 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.49 2kbi h TYR 1811CO 0.58 0.02 0.00 0.77 -1.32 0.00 0.00 178.16 178.21 2kbi h SER 1812N 0.00 0.00 -0.00 -2.11 0.02 -1.93 -3.07 113.55 106.46 2kbi h SER 1812Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kbi h SER 1812Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2kbi h SER 1812CO 0.00 0.00 -0.01 1.33 -1.14 0.00 0.00 176.83 177.01 2kbi n VAL 1813N -2.59 0.00 -0.35 2.27 0.24 -0.72 -4.73 118.33 112.45 2kbi n VAL 1813Ca -0.00 -0.49 0.09 0.00 -2.04 0.00 0.00 64.34 61.89 2kbi n VAL 1813Cb 0.14 1.00 0.27 0.00 -1.47 0.00 0.00 33.84 33.78 2kbi n VAL 1813CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2kbi h LEU 1814N 0.00 0.83 -1.45 1.34 5.85 -1.25 -1.20 115.31 119.43 2kbi h LEU 1814Ca 0.00 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2kbi h LEU 1814Cb 0.01 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2kbi h LEU 1814CO 0.00 0.38 -0.11 0.77 -0.34 0.00 0.00 178.44 179.14 2kbi h SER 1815N 0.87 0.21 0.32 1.25 4.64 -1.85 0.69 113.55 119.67 2kbi h SER 1815Ca 0.52 -0.04 -0.33 0.00 -0.47 0.00 0.00 61.79 61.47 2kbi h SER 1815Cb 0.66 -0.05 0.03 0.00 -0.31 0.00 0.00 62.40 62.72 2kbi h SER 1815CO -0.32 0.35 -1.48 -0.78 -0.87 0.00 0.00 176.83 173.74 2kbi h ASP 1816N 0.21 0.75 -0.28 4.97 3.58 -1.66 -3.19 116.42 120.80 2kbi h ASP 1816Ca 0.04 -0.83 0.01 0.00 0.42 0.00 0.00 57.03 56.68 2kbi h ASP 1816Cb 0.34 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 2kbi h ASP 1816CO 0.02 1.66 0.16 0.15 -2.88 0.00 0.00 179.24 178.34 2kbi h PHE 1817N 0.13 0.29 -0.55 0.28 3.57 -1.13 -2.16 116.94 117.37 2kbi h PHE 1817Ca -0.25 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.42 2kbi h PHE 1817Cb 2.13 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.76 2kbi h PHE 1817CO 0.11 0.17 0.40 0.00 -2.23 0.00 0.00 178.31 176.76 2kbi h ALA 1818N 1.13 2.52 -0.00 2.41 0.00 -0.96 -1.31 119.26 123.05 2kbi h ALA 1818Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2kbi h ALA 1818Cb 0.01 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kbi h ALA 1818CO -0.06 -0.68 -0.59 -3.47 0.00 0.00 0.00 179.25 174.44 2kbi n ASP 1819N -4.36 1.01 0.10 0.00 2.03 -1.04 -1.11 116.55 113.17 2kbi n ASP 1819Ca 0.10 -0.81 0.12 0.00 0.52 0.00 0.00 54.79 54.72 2kbi n ASP 1819Cb 0.63 0.48 0.05 0.00 -0.72 0.00 0.00 41.12 41.56 2kbi n ASP 1819CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kbi h ALA 1820N 3.29 0.53 -2.38 -1.67 0.00 -0.59 -3.48 119.26 114.97 2kbi h ALA 1820Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 2kbi h ALA 1820Cb 0.54 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.46 2kbi h ALA 1820CO 0.00 0.00 0.30 -0.51 0.00 0.00 0.00 179.25 179.04 2kbi s LEU 1821N -5.10 2.44 0.53 0.00 1.43 -1.20 -5.02 118.68 111.76 2kbi s LEU 1821Ca 0.01 1.38 -0.08 0.00 -1.03 0.00 0.00 54.13 54.42 2kbi s LEU 1821Cb 0.10 -3.90 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 2kbi s LEU 1821CO 0.77 -2.28 0.88 -0.44 0.23 0.00 0.00 176.35 175.51 2kbi s SER 1822N -3.69 6.27 0.67 2.29 0.01 -1.26 -4.61 113.70 113.39 2kbi s SER 1822Ca 0.62 1.14 -0.17 0.00 1.31 0.00 0.00 55.95 58.85 2kbi s SER 1822Cb -0.16 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2kbi s SER 1822CO 0.55 -0.68 1.25 -1.61 0.41 0.00 0.00 173.24 173.16 2kbi s GLU 1823N -4.85 2.46 0.00 12.44 2.02 -1.26 -1.63 118.70 127.88 2kbi s GLU 1823Ca 0.51 1.92 0.28 0.00 0.02 0.00 0.00 54.97 57.70 2kbi s GLU 1823Cb -0.11 -1.85 1.09 0.00 0.10 0.00 0.00 34.13 33.36 2kbi s GLU 1823CO 0.47 -1.63 1.81 -0.35 0.02 0.00 0.00 175.26 175.58 2kbi n PRO 1824N -2.16 0.12 0.22 0.39 -0.04 -1.26 -4.82 135.00 127.45 2kbi n PRO 1824Ca 0.15 -0.03 0.09 0.00 -0.04 0.00 0.00 63.50 63.67 2kbi n PRO 1824Cb 0.49 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.95 2kbi n PRO 1824CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kbi h LEU 1825N 0.07 0.00 -9.34 1.53 3.38 -1.88 -3.44 115.31 105.62 2kbi h LEU 1825Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 2kbi h LEU 1825Cb 0.46 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.27 2kbi h LEU 1825CO 0.00 0.25 0.56 -1.14 0.09 0.00 0.00 178.44 178.19 2kbi n ARG 1826N -3.60 1.45 -3.92 1.13 3.00 -0.64 -4.97 116.66 109.11 2kbi n ARG 1826Ca -0.01 0.52 -0.32 0.00 -0.00 0.00 0.00 57.85 58.04 2kbi n ARG 1826Cb 0.38 -2.20 -0.13 0.00 0.00 0.00 0.00 32.46 30.51 2kbi n ARG 1826CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2kbi s ILE 1827N 0.60 2.72 0.35 5.15 1.09 -0.27 -4.87 121.20 125.98 2kbi s ILE 1827Ca 0.83 -2.75 -0.29 0.00 -1.10 0.00 0.00 60.65 57.34 2kbi s ILE 1827Cb -0.87 -2.91 -0.11 0.00 -1.06 0.00 0.00 42.46 37.52 2kbi s ILE 1827CO 0.44 -0.72 1.49 0.00 -0.10 0.00 0.00 174.94 176.05 2kbi s ALA 1828N 0.37 3.60 0.70 9.38 0.00 -1.26 -3.87 121.76 130.68 2kbi s ALA 1828Ca 0.14 1.54 -0.16 0.00 0.00 0.00 0.00 51.96 53.47 2kbi s ALA 1828Cb -0.22 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.31 2kbi s ALA 1828CO -0.04 -1.00 1.25 0.15 0.00 0.00 0.00 175.76 176.12 2kbi s LYS 1829N -1.72 2.28 0.11 0.00 1.02 -1.26 -4.08 119.74 116.08 2kbi s LYS 1829Ca 0.54 1.91 -0.31 0.00 0.02 0.00 0.00 55.97 58.14 2kbi s LYS 1829Cb -0.46 -1.83 -0.07 0.00 -0.52 0.00 0.00 37.83 34.94 2kbi s LYS 1829CO 0.59 -1.77 1.35 -1.25 -0.92 0.00 0.00 175.35 173.35 2kbi s PRO 1830N -3.66 4.35 0.00 -1.68 0.04 -1.26 -5.14 135.00 127.65 2kbi s PRO 1830Ca 0.78 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.83 2kbi s PRO 1830Cb -0.33 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2kbi s PRO 1830CO 0.43 -0.39 0.42 0.27 0.04 0.00 0.00 177.00 177.77 2kbi n ASN 1831N 3.90 0.85 -0.35 6.66 0.23 -1.26 -4.77 115.26 120.52 2kbi n ASN 1831Ca 0.11 -1.01 0.01 0.00 -0.53 0.00 0.00 54.58 53.16 2kbi n ASN 1831Cb 0.43 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.28 2kbi n ASN 1831CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 2kbi h GLN 1832N 0.00 1.11 -0.38 -3.83 3.07 -1.94 -0.25 115.11 112.89 2kbi h GLN 1832Ca 0.00 -0.07 -0.10 0.00 0.09 0.00 0.00 58.65 58.58 2kbi h GLN 1832Cb 0.08 -0.25 -0.01 0.00 0.08 0.00 0.00 27.48 27.38 2kbi h GLN 1832CO 0.00 0.73 -0.14 0.82 0.09 0.00 0.00 178.83 180.33 2kbi h ILE 1833N 1.14 1.28 -0.94 1.86 1.08 -1.99 -1.71 117.51 118.24 2kbi h ILE 1833Ca 0.40 -1.25 0.05 0.00 -0.39 0.00 0.00 64.86 63.67 2kbi h ILE 1833Cb 0.10 1.30 -0.06 0.00 -3.07 0.00 0.00 36.82 35.09 2kbi h ILE 1833CO -0.15 0.42 0.60 0.28 -0.69 0.00 0.00 178.15 178.61 2kbi h SER 1834N 0.56 0.98 -0.14 1.72 0.02 -1.69 -1.76 113.55 113.23 2kbi h SER 1834Ca 0.09 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 2kbi h SER 1834Cb 0.68 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 2kbi h SER 1834CO 0.05 0.64 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.21 2kbi h LEU 1835N 1.13 0.34 -1.65 5.07 3.38 -1.01 -3.24 115.31 119.32 2kbi h LEU 1835Ca 0.39 -0.45 0.10 0.00 0.09 0.00 0.00 57.88 58.01 2kbi h LEU 1835Cb 0.10 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2kbi h LEU 1835CO -0.15 0.72 0.40 0.40 0.09 0.00 0.00 178.44 179.89 2kbi h ILE 1836N -0.04 0.89 0.00 1.22 2.04 -0.98 -0.74 117.51 119.91 2kbi h ILE 1836Ca 0.03 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2kbi h ILE 1836Cb 0.61 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2kbi h ILE 1836CO 0.03 0.07 0.00 0.59 0.00 0.00 0.00 178.15 178.84 2kbi n ASN 1837N -4.47 0.00 -4.68 1.72 3.02 -0.69 -4.86 115.26 105.30 2kbi n ASN 1837Ca 0.10 0.18 -0.29 0.00 -0.03 0.00 0.00 54.58 54.54 2kbi n ASN 1837Cb 0.37 -0.38 0.12 0.00 -0.61 0.00 0.00 39.78 39.28 2kbi n ASN 1837CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2kbi s MET 1838N -2.76 1.60 -0.02 3.52 -1.94 -0.29 -5.00 119.30 114.42 2kbi s MET 1838Ca 0.18 -0.06 0.05 0.00 -1.71 0.00 0.00 55.69 54.14 2kbi s MET 1838Cb 0.16 -1.93 0.17 0.00 2.01 0.00 0.00 34.83 35.24 2kbi s MET 1838CO 0.39 -1.81 1.01 -3.47 -0.01 0.00 0.00 175.02 171.12 2kbi n ASP 1839N -3.42 1.42 -4.70 3.03 2.03 -1.26 -4.99 116.55 108.66 2kbi n ASP 1839Ca 0.10 -2.09 -0.56 0.00 0.52 0.00 0.00 54.79 52.76 2kbi n ASP 1839Cb 0.61 -0.28 -0.07 0.00 -0.72 0.00 0.00 41.12 40.65 2kbi n ASP 1839CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2kbi n LEU 1840N 0.08 2.42 -4.81 -2.67 4.77 -1.26 -5.01 117.00 110.52 2kbi n LEU 1840Ca 0.06 1.07 -0.30 0.00 -0.03 0.00 0.00 56.01 56.81 2kbi n LEU 1840Cb 0.28 -1.17 0.22 0.00 -2.33 0.00 0.00 43.42 40.42 2kbi n LEU 1840CO 0.06 -0.46 0.80 -2.16 -1.33 0.00 0.00 177.39 174.30 2kbi s PRO 1841N 3.25 -0.26 -0.17 3.23 0.04 -1.26 -5.10 135.00 134.72 2kbi s PRO 1841Ca 0.96 -0.39 -0.03 0.00 0.04 0.00 0.00 61.00 61.58 2kbi s PRO 1841Cb -1.02 -1.74 0.06 0.00 0.04 0.00 0.00 34.50 31.84 2kbi s PRO 1841CO 0.62 -3.02 0.05 -1.64 0.04 0.00 0.00 177.00 173.05 2kbi s MET 1842N -5.79 0.44 0.44 4.56 -1.94 -1.26 -4.73 119.30 111.02 2kbi s MET 1842Ca 0.75 -0.24 0.20 0.00 -1.71 0.00 0.00 55.69 54.69 2kbi s MET 1842Cb -0.04 -1.88 1.04 0.00 2.01 0.00 0.00 34.83 35.96 2kbi s MET 1842CO 0.54 -0.61 1.93 -0.39 -0.01 0.00 0.00 175.02 176.48 2kbi h VAL 1843N 6.47 0.87 0.00 -6.03 -1.51 -1.44 -3.29 116.25 111.32 2kbi h VAL 1843Ca -0.16 -0.94 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 2kbi h VAL 1843Cb 1.13 1.56 0.00 0.00 -2.13 0.00 0.00 31.29 31.85 2kbi h VAL 1843CO 0.31 0.24 0.00 -1.20 -1.23 0.00 0.00 177.57 175.69 2kbi n SER 1844N -3.81 0.50 0.00 4.19 7.64 -1.26 -5.01 113.62 115.87 2kbi n SER 1844Ca -0.02 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.70 2kbi n SER 1844Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 2kbi n SER 1844CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kbi n GLY 1845N -0.08 0.88 0.00 0.23 0.00 -1.24 -4.82 105.19 100.16 2kbi n GLY 1845Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kbi n GLY 1845CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kbi n ASP 1846N 0.00 0.00 -4.21 1.61 5.75 -1.26 -5.04 116.55 113.40 2kbi n ASP 1846Ca 0.00 -0.72 -0.12 0.00 -0.01 0.00 0.00 54.79 53.94 2kbi n ASP 1846Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 2kbi n ASP 1846CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2kbi s ARG 1847N 0.00 0.95 0.01 0.11 0.52 -1.26 -1.19 118.95 118.09 2kbi s ARG 1847Ca 0.00 -1.40 0.00 0.00 -0.52 0.00 0.00 55.73 53.81 2kbi s ARG 1847Cb 0.00 -0.42 -0.01 0.00 0.52 0.00 0.00 34.95 35.04 2kbi s ARG 1847CO 0.00 0.03 -0.02 0.42 0.02 0.00 0.00 175.30 175.75 2kbi s ILE 1848N -3.47 0.08 0.33 1.52 1.09 -0.32 -0.95 121.20 119.48 2kbi s ILE 1848Ca 0.15 -0.52 -0.25 0.00 -1.10 0.00 0.00 60.65 58.92 2kbi s ILE 1848Cb 0.04 -0.17 -0.10 0.00 -1.06 0.00 0.00 42.46 41.17 2kbi s ILE 1848CO -0.02 -0.28 0.93 -2.28 -0.10 0.00 0.00 174.94 173.19 2kbi s HIS 1849N -0.83 3.63 0.17 3.97 5.65 -1.26 -1.98 115.29 124.64 2kbi s HIS 1849Ca -0.09 1.73 -0.15 0.00 0.25 0.00 0.00 55.06 56.80 2kbi s HIS 1849Cb -0.06 -2.89 0.14 0.00 -1.18 0.00 0.00 32.58 28.60 2kbi s HIS 1849CO -0.01 0.17 1.71 0.00 -0.65 0.00 0.00 174.74 175.96 2kbi h MET 1851N 0.17 0.30 -0.07 0.00 1.85 -1.95 -1.45 114.93 113.78 2kbi h MET 1851Ca 0.22 -0.14 -0.18 0.00 -0.61 0.00 0.00 59.70 58.99 2kbi h MET 1851Cb 0.29 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.31 2kbi h MET 1851CO -0.32 0.65 -0.71 -0.44 -0.40 0.00 0.00 176.91 175.70 2kbi h ASP 1852N 0.25 0.42 0.26 1.39 5.19 -1.85 0.04 116.42 122.13 2kbi h ASP 1852Ca 0.03 -0.27 -0.01 0.00 -0.62 0.00 0.00 57.03 56.15 2kbi h ASP 1852Cb 0.81 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.20 2kbi h ASP 1852CO 0.06 1.00 -0.13 0.40 -3.12 0.00 0.00 179.24 177.46 2kbi h ILE 1853N 0.25 0.78 -0.53 0.35 2.04 -1.23 -1.95 117.51 117.22 2kbi h ILE 1853Ca -0.02 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 65.67 2kbi h ILE 1853Cb 1.27 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 38.20 2kbi h ILE 1853CO 0.12 0.05 0.20 0.25 0.00 0.00 0.00 178.15 178.77 2kbi h LEU 1854N -0.47 0.20 0.01 1.44 5.85 -1.12 -0.63 115.31 120.59 2kbi h LEU 1854Ca -0.04 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.77 2kbi h LEU 1854Cb 0.36 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 2kbi h LEU 1854CO 0.06 0.14 -0.23 0.15 -0.34 0.00 0.00 178.44 178.22 2kbi h PHE 1855N 0.38 -0.60 -0.67 1.25 3.57 -1.01 -0.15 116.94 119.72 2kbi h PHE 1855Ca 0.26 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2kbi h PHE 1855Cb 0.28 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 2kbi h PHE 1855CO -0.16 -0.32 0.42 0.00 -2.23 0.00 0.00 178.31 176.03 2kbi h ALA 1856N 0.49 1.49 0.12 2.41 0.00 -0.83 -1.27 119.26 121.67 2kbi h ALA 1856Ca 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kbi h ALA 1856Cb 0.44 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kbi h ALA 1856CO -0.19 0.46 -0.06 0.74 0.00 0.00 0.00 179.25 180.20 2kbi h PHE 1857N 0.91 -0.14 0.00 0.00 -1.00 -0.95 -3.27 116.94 112.48 2kbi h PHE 1857Ca 0.24 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.01 2kbi h PHE 1857Cb -0.07 0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.53 2kbi h PHE 1857CO 0.00 0.32 -0.03 1.79 -1.61 0.00 0.00 178.31 178.79 2kbi h THR 1858N -0.71 0.14 -0.60 -1.55 1.35 -0.95 -3.22 112.91 107.37 2kbi h THR 1858Ca -0.02 -0.29 0.12 0.00 -0.55 0.00 0.00 66.41 65.67 2kbi h THR 1858Cb 0.53 1.25 -0.11 0.00 -1.73 0.00 0.00 68.15 68.09 2kbi h THR 1858CO 0.03 0.03 -0.07 0.50 -0.25 0.00 0.00 175.52 175.75 2kbi h LYS 1859N 0.00 0.05 -0.20 4.72 1.63 -1.28 -0.24 116.57 121.25 2kbi h LYS 1859Ca -0.00 -0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.65 2kbi h LYS 1859Cb 0.25 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 2kbi h LYS 1859CO 0.00 0.04 -0.50 0.00 -3.45 0.00 0.00 179.45 175.54 2kbi h ARG 1860N 0.06 0.55 -0.34 1.90 3.08 -1.75 -0.22 114.38 117.66 2kbi h ARG 1860Ca 0.30 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2kbi h ARG 1860Cb 0.48 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2kbi h ARG 1860CO -0.57 0.93 0.03 0.28 -1.07 0.00 0.00 179.97 179.57 2kbi h VAL 1861N 0.44 1.25 0.00 2.04 2.07 -1.51 -2.89 116.25 117.64 2kbi h VAL 1861Ca 0.02 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.63 2kbi h VAL 1861Cb 1.03 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2kbi h VAL 1861CO 0.10 0.30 0.00 -0.07 0.02 0.00 0.00 177.57 177.92 2kbi h LEU 1862N 0.41 0.00 0.08 2.57 3.38 -1.08 -3.48 115.31 117.20 2kbi h LEU 1862Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2kbi h LEU 1862Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2kbi h LEU 1862CO 0.01 0.00 -0.03 0.61 0.09 0.00 0.00 178.44 179.12 2kbi n GLY 1863N 0.35 0.52 0.55 0.83 0.00 -0.85 -4.96 105.19 101.63 2kbi n GLY 1863Ca 0.03 -0.88 0.14 0.00 0.00 0.00 0.00 46.02 45.30 2kbi n GLY 1863CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kbi n GLU 1864N -2.91 1.75 0.00 1.61 -0.58 -0.15 -5.00 120.64 115.36 2kbi n GLU 1864Ca -0.02 -1.10 0.06 0.00 -0.42 0.00 0.00 57.16 55.68 2kbi n GLU 1864Cb 0.06 -1.48 0.37 0.00 -0.57 0.00 0.00 31.44 29.82 2kbi n GLU 1864CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08