#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbi h PRO -3 N 0.00 0.00 -3.06 1.61 0.11 -2.11 -3.33 132.00 125.22 2kbi h PRO -3 Ca 0.00 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.43 2kbi h PRO -3 Cb 0.00 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.13 2kbi h PRO -3 CO 0.00 0.00 3.75 0.41 -0.21 0.00 0.00 178.00 181.95 2kbi n GLY -2 N -1.26 4.30 2.56 -0.55 0.00 -1.26 -4.86 105.19 104.13 2kbi n GLY -2 Ca -0.01 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 2kbi n GLY -2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kbi n SER -1 N 3.69 5.88 0.00 1.61 3.41 -1.25 -4.72 113.62 122.24 2kbi n SER -1 Ca 0.76 -2.45 0.08 0.00 -0.26 0.00 0.00 58.87 57.01 2kbi n SER -1 Cb 0.24 -1.26 0.46 0.00 -0.26 0.00 0.00 64.21 63.39 2kbi n SER -1 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2kbi n GLU 1773N 4.31 0.37 -0.59 4.33 0.28 -1.26 -4.87 120.64 123.20 2kbi n GLU 1773Ca 0.56 0.07 -0.30 0.00 -0.16 0.00 0.00 57.16 57.33 2kbi n GLU 1773Cb 0.19 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 31.77 2kbi n GLU 1773CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2kbi n ASN 1774N -1.16 -0.92 -4.72 -1.84 6.94 -1.26 -5.03 115.26 107.26 2kbi n ASN 1774Ca 0.10 0.12 -0.31 0.00 -0.02 0.00 0.00 54.58 54.47 2kbi n ASN 1774Cb 0.10 -1.33 0.12 0.00 -2.36 0.00 0.00 39.78 36.31 2kbi n ASN 1774CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2kbi s PHE 1775N -2.49 2.13 0.74 -2.53 5.36 -1.26 -5.02 117.98 114.91 2kbi s PHE 1775Ca 0.66 1.67 -0.13 0.00 -0.96 0.00 0.00 56.93 58.17 2kbi s PHE 1775Cb -0.23 -3.20 0.05 0.00 -0.34 0.00 0.00 43.02 39.29 2kbi s PHE 1775CO 0.62 -2.28 1.13 -1.12 -1.46 0.00 0.00 175.22 172.11 2kbi s SER 1776N -3.01 4.43 0.08 6.13 0.01 -1.26 -4.98 113.70 115.11 2kbi s SER 1776Ca 0.64 2.03 0.27 0.00 1.31 0.00 0.00 55.95 60.21 2kbi s SER 1776Cb -0.20 -2.55 0.88 0.00 0.21 0.00 0.00 66.02 64.35 2kbi s SER 1776CO 0.56 -2.09 1.72 1.33 0.41 0.00 0.00 173.24 175.18 2kbi n VAL 1777N -3.09 0.23 -1.48 3.43 0.24 -1.26 -4.93 118.33 111.47 2kbi n VAL 1777Ca 0.11 -0.13 -0.30 0.00 -2.04 0.00 0.00 64.34 61.98 2kbi n VAL 1777Cb 0.52 -0.36 0.10 0.00 -1.47 0.00 0.00 33.84 32.62 2kbi n VAL 1777CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kbi s ALA 1778N -3.05 2.13 0.14 2.33 0.00 -1.26 -5.04 121.76 117.02 2kbi s ALA 1778Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2kbi s ALA 1778Cb 0.16 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2kbi s ALA 1778CO 0.60 -1.83 0.00 2.41 0.00 0.00 0.00 175.76 176.94 2kbi n THR 1779N -3.51 0.05 -4.12 0.00 -1.04 -1.26 -5.16 114.28 99.24 2kbi n THR 1779Ca 0.07 0.02 -0.10 0.00 -2.04 0.00 0.00 64.05 61.99 2kbi n THR 1779Cb 0.56 -0.58 -0.09 0.00 -1.82 0.00 0.00 70.33 68.39 2kbi n THR 1779CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2kbi s GLU 1780N -2.00 1.09 0.00 -2.82 -1.05 -1.26 -5.07 118.70 107.59 2kbi s GLU 1780Ca 0.00 -1.44 0.29 0.00 -0.15 0.00 0.00 54.97 53.67 2kbi s GLU 1780Cb 0.00 0.29 1.33 0.00 -0.44 0.00 0.00 34.13 35.31 2kbi s GLU 1780CO 0.00 -0.35 1.92 0.39 0.95 0.00 0.00 175.26 178.17 2kbi n GLU 1781N -0.19 0.66 -3.14 -4.83 1.02 -1.26 -4.95 120.64 107.96 2kbi n GLU 1781Ca -0.03 -0.18 -0.23 0.00 -0.02 0.00 0.00 57.16 56.71 2kbi n GLU 1781Cb 0.64 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.59 2kbi n GLU 1781CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kbi n SER 1782N -1.02 -5.31 -3.91 1.62 2.88 -1.26 -4.97 113.62 101.66 2kbi n SER 1782Ca 0.15 -0.32 -0.30 0.00 -1.33 0.00 0.00 58.87 57.07 2kbi n SER 1782Cb 0.26 -4.31 -0.14 0.00 -0.75 0.00 0.00 64.21 59.26 2kbi n SER 1782CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2kbi s THR 1783N -3.09 2.12 0.40 2.46 2.01 -1.26 -5.12 115.64 113.15 2kbi s THR 1783Ca 0.34 -2.69 -0.25 0.00 0.31 0.00 0.00 61.69 59.40 2kbi s THR 1783Cb -0.16 -2.51 -0.08 0.00 0.01 0.00 0.00 72.50 69.75 2kbi s THR 1783CO 0.41 -0.74 1.14 -1.61 -0.69 0.00 0.00 174.62 173.14 2kbi s GLU 1784N 0.39 4.08 0.00 4.92 2.02 -1.26 -4.98 118.70 123.87 2kbi s GLU 1784Ca 0.14 1.77 0.29 0.00 0.02 0.00 0.00 54.97 57.19 2kbi s GLU 1784Cb -0.23 -2.65 1.22 0.00 0.10 0.00 0.00 34.13 32.58 2kbi s GLU 1784CO -0.05 -0.28 1.87 -0.35 0.02 0.00 0.00 175.26 176.47 2kbi n PRO 1785N 0.05 0.42 -4.31 0.39 -0.04 -1.26 -4.88 135.00 125.36 2kbi n PRO 1785Ca 0.04 -0.11 -0.17 0.00 -0.04 0.00 0.00 63.50 63.23 2kbi n PRO 1785Cb 0.47 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.66 2.55 0.23 1.53 1.43 -1.26 -5.02 118.68 115.47 2kbi s LEU 1786Ca 0.24 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 2kbi s LEU 1786Cb 0.20 -0.55 -0.05 0.00 0.03 0.00 0.00 46.19 45.82 2kbi s LEU 1786CO 0.51 -0.23 0.11 -0.44 0.23 0.00 0.00 176.35 176.52 2kbi s SER 1787N -3.26 0.74 0.39 2.29 0.01 -1.26 -5.07 113.70 107.53 2kbi s SER 1787Ca 0.20 -1.37 0.09 0.00 1.31 0.00 0.00 55.95 56.18 2kbi s SER 1787Cb 0.00 0.25 0.86 0.00 0.21 0.00 0.00 66.02 67.35 2kbi s SER 1787CO 0.05 -0.77 1.96 -0.08 0.41 0.00 0.00 173.24 174.81 2kbi h GLU 1788N 2.50 0.59 0.00 12.44 4.81 -2.02 -1.84 114.58 131.06 2kbi h GLU 1788Ca -0.37 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2kbi h GLU 1788Cb 1.25 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2kbi h GLU 1788CO 0.58 0.39 0.00 0.38 -0.73 0.00 0.00 179.01 179.63 2kbi h ASP 1789N 0.61 0.00 -0.31 1.04 2.03 -1.98 -2.02 116.42 115.79 2kbi h ASP 1789Ca 0.30 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.44 2kbi h ASP 1789Cb 0.38 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.88 2kbi h ASP 1789CO -0.10 0.00 -0.45 0.44 -1.03 0.00 0.00 179.24 178.10 2kbi h ASP 1790N 0.00 0.94 -0.37 4.15 3.32 -1.75 -1.28 116.42 121.42 2kbi h ASP 1790Ca 0.00 -0.51 -0.08 0.00 0.02 0.00 0.00 57.03 56.46 2kbi h ASP 1790Cb 0.33 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2kbi h ASP 1790CO 0.00 1.26 -0.08 -0.26 -1.72 0.00 0.00 179.24 178.43 2kbi h PHE 1791N 0.64 0.79 -0.78 4.55 0.04 -1.55 -2.32 116.94 118.30 2kbi h PHE 1791Ca 0.03 -0.17 0.03 0.00 2.80 0.00 0.00 57.97 60.66 2kbi h PHE 1791Cb 1.05 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.96 2kbi h PHE 1791CO 0.07 0.85 0.50 0.22 -0.60 0.00 0.00 178.31 179.36 2kbi h ASP 1792N 0.50 0.84 -0.43 2.17 3.58 -1.39 -1.59 116.42 120.09 2kbi h ASP 1792Ca 0.09 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.56 2kbi h ASP 1792Cb 0.59 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 2kbi h ASP 1792CO 0.04 0.58 0.25 -0.03 -2.88 0.00 0.00 179.24 177.19 2kbi h MET 1793N 0.98 0.49 0.15 0.28 4.05 -1.17 -0.40 114.93 119.31 2kbi h MET 1793Ca 0.31 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.71 2kbi h MET 1793Cb -0.01 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.66 2kbi h MET 1793CO -0.11 0.32 -0.23 0.35 0.23 0.00 0.00 176.91 177.48 2kbi h PHE 1794N 0.50 -0.61 -0.04 1.39 3.04 -1.00 -1.93 116.94 118.30 2kbi h PHE 1794Ca 0.18 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.09 2kbi h PHE 1794Cb 0.03 0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.78 2kbi h PHE 1794CO -0.08 -0.33 -0.19 1.88 -2.02 0.00 0.00 178.31 177.58 2kbi h TYR 1795N -0.45 0.06 0.15 0.41 0.05 -1.14 -0.65 116.97 115.42 2kbi h TYR 1795Ca 0.02 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2kbi h TYR 1795Cb 0.45 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.17 2kbi h TYR 1795CO -0.20 0.25 -0.07 1.49 -1.05 0.00 0.00 178.16 178.57 2kbi h GLU 1796N 0.06 -0.20 -0.01 4.88 4.81 -0.91 -3.26 114.58 119.95 2kbi h GLU 1796Ca 0.01 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 2kbi h GLU 1796Cb 0.37 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2kbi h GLU 1796CO 0.03 0.10 -0.35 0.82 -0.73 0.00 0.00 179.01 178.88 2kbi h ILE 1797N -0.51 1.26 -0.86 2.32 1.08 -1.14 -3.12 117.51 116.53 2kbi h ILE 1797Ca -0.02 -1.23 0.13 0.00 -0.39 0.00 0.00 64.86 63.35 2kbi h ILE 1797Cb 0.40 1.65 -0.07 0.00 -3.07 0.00 0.00 36.82 35.73 2kbi h ILE 1797CO 0.03 0.35 0.56 -0.25 -0.69 0.00 0.00 178.15 178.16 2kbi h TRP 1798N 0.02 0.79 -0.01 1.37 2.91 -1.16 -2.17 115.95 117.70 2kbi h TRP 1798Ca -0.00 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.04 2kbi h TRP 1798Cb 0.63 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 29.03 2kbi h TRP 1798CO 0.00 0.31 0.02 0.93 -1.03 0.00 0.00 178.44 178.67 2kbi h GLU 1799N 0.69 0.00 0.00 2.65 4.39 -1.63 -1.12 114.58 119.56 2kbi h GLU 1799Ca 0.43 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.11 2kbi h GLU 1799Cb 0.67 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2kbi h GLU 1799CO -0.19 0.00 -0.09 0.87 -1.16 0.00 0.00 179.01 178.44 2kbi h LYS 1800N 0.00 0.00 0.00 2.33 1.57 -1.60 -2.89 116.57 115.99 2kbi h LYS 1800Ca 0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2kbi h LYS 1800Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2kbi h LYS 1800CO -0.00 0.09 -1.21 1.19 -0.57 0.00 0.00 179.45 178.95 2kbi n PHE 1801N -3.22 0.00 -3.29 -1.35 3.01 -0.79 -4.77 117.46 107.06 2kbi n PHE 1801Ca 0.01 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.21 2kbi n PHE 1801Cb 0.37 -0.13 -0.07 0.00 -0.01 0.00 0.00 39.48 39.64 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 -1.84 2.62 0.22 4.37 2.03 -0.49 -4.91 116.55 118.55 2kbi n ASP 1802Ca -0.03 -3.23 0.15 0.00 0.52 0.00 0.00 54.79 52.21 2kbi n ASP 1802Cb 0.31 -0.65 0.63 0.00 -0.72 0.00 0.00 41.12 40.70 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 3.92 0.00 0.00 -0.67 0.13 -1.76 -2.26 132.00 131.36 2kbi h PRO 1803Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2kbi h PRO 1803Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2kbi h PRO 1803CO 0.71 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.87 2kbi n GLU 1804N -2.76 0.22 -2.03 0.86 1.02 -1.26 -4.95 120.64 111.74 2kbi n GLU 1804Ca 0.01 0.05 -0.17 0.00 -0.02 0.00 0.00 57.16 57.04 2kbi n GLU 1804Cb 0.27 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 2kbi n GLU 1804CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kbi n ALA 1805N -1.37 -0.51 0.28 0.62 0.00 -0.85 -4.89 120.51 113.78 2kbi n ALA 1805Ca 0.10 0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.86 2kbi n ALA 1805Cb 0.24 -1.78 0.63 0.00 0.00 0.00 0.00 19.45 18.54 2kbi n ALA 1805CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2kbi h THR 1806N 0.00 0.00 -0.36 0.00 1.35 -1.92 -3.46 112.91 108.51 2kbi h THR 1806Ca -0.37 -0.13 -0.15 0.00 -0.55 0.00 0.00 66.41 65.20 2kbi h THR 1806Cb 1.20 0.81 -0.06 0.00 -1.73 0.00 0.00 68.15 68.37 2kbi h THR 1806CO 0.48 0.00 -0.14 0.00 -0.25 0.00 0.00 175.52 175.61 2kbi n GLN 1807N -2.41 -0.74 -4.20 4.72 1.13 -1.26 -5.04 117.38 109.58 2kbi n GLN 1807Ca -0.00 0.70 -0.19 0.00 -1.94 0.00 0.00 57.00 55.57 2kbi n GLN 1807Cb 0.14 -4.57 -0.12 0.00 0.11 0.00 0.00 30.24 25.80 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 -2.17 1.33 0.12 1.08 0.08 -1.26 -0.82 117.98 116.33 2kbi s PHE 1808Ca 0.00 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 56.59 2kbi s PHE 1808Cb 0.00 -0.74 -0.04 0.00 -0.57 0.00 0.00 43.02 41.67 2kbi s PHE 1808CO 0.00 0.09 -0.02 0.96 -0.10 0.00 0.00 175.22 176.15 2kbi s ILE 1809N -1.37 0.55 0.43 0.64 -4.36 -1.03 -4.76 121.20 111.31 2kbi s ILE 1809Ca 0.01 -1.93 -0.18 0.00 -0.26 0.00 0.00 60.65 58.28 2kbi s ILE 1809Cb -0.09 -1.86 -0.10 0.00 1.25 0.00 0.00 42.46 41.66 2kbi s ILE 1809CO 0.03 -0.70 0.91 -1.61 0.24 0.00 0.00 174.94 173.81 2kbi s GLU 1810N -3.90 4.09 0.43 0.37 2.02 -1.26 -1.07 118.70 119.38 2kbi s GLU 1810Ca 0.17 0.96 0.10 0.00 0.02 0.00 0.00 54.97 56.22 2kbi s GLU 1810Cb 0.06 -2.22 0.97 0.00 0.10 0.00 0.00 34.13 33.04 2kbi s GLU 1810CO -0.02 -0.07 2.06 -0.92 0.02 0.00 0.00 175.26 176.34 2kbi h TYR 1811N 1.65 0.41 0.00 1.61 3.20 -1.78 -1.88 116.97 120.18 2kbi h TYR 1811Ca -0.48 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.40 2kbi h TYR 1811Cb 1.18 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.31 2kbi h TYR 1811CO 0.62 0.25 0.00 0.66 -1.64 0.00 0.00 178.16 178.05 2kbi h SER 1812N 0.43 0.00 0.00 -2.11 4.64 -1.94 -3.03 113.55 111.53 2kbi h SER 1812Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2kbi h SER 1812Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2kbi h SER 1812CO -0.03 0.00 -0.86 1.33 -0.87 0.00 0.00 176.83 176.40 2kbi n VAL 1813N -3.07 0.00 -0.31 0.95 0.24 -0.80 -4.49 118.33 110.84 2kbi n VAL 1813Ca -0.01 -0.25 0.06 0.00 -2.04 0.00 0.00 64.34 62.10 2kbi n VAL 1813Cb 0.20 0.69 0.26 0.00 -1.47 0.00 0.00 33.84 33.52 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 0.87 -1.12 1.34 6.46 -1.24 -0.75 115.31 120.87 2kbi h LEU 1814Ca 0.00 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 57.87 2kbi h LEU 1814Cb 0.30 -0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 40.00 2kbi h LEU 1814CO 0.00 0.52 0.60 0.28 -0.62 0.00 0.00 178.44 179.22 2kbi h SER 1815N 0.96 0.90 0.49 1.25 0.02 -1.78 0.14 113.55 115.52 2kbi h SER 1815Ca 0.42 0.02 -0.30 0.00 -0.84 0.00 0.00 61.79 61.10 2kbi h SER 1815Cb 0.36 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2kbi h SER 1815CO -0.18 0.54 -1.48 -0.78 -1.14 0.00 0.00 176.83 173.79 2kbi h ASP 1816N 1.00 0.37 -0.40 3.07 3.58 -1.64 -3.26 116.42 119.13 2kbi h ASP 1816Ca 0.42 -0.50 0.02 0.00 0.42 0.00 0.00 57.03 57.39 2kbi h ASP 1816Cb 0.31 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 2kbi h ASP 1816CO -0.18 1.41 0.24 0.15 -2.88 0.00 0.00 179.24 177.98 2kbi h PHE 1817N 0.07 0.45 -0.30 0.28 3.57 -0.95 -1.62 116.94 118.43 2kbi h PHE 1817Ca -0.22 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.38 2kbi h PHE 1817Cb 2.00 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.58 2kbi h PHE 1817CO 0.06 0.27 0.27 0.00 -2.23 0.00 0.00 178.31 176.68 2kbi h ALA 1818N 1.17 2.08 -0.08 2.41 0.00 -1.08 -0.96 119.26 122.80 2kbi h ALA 1818Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kbi h ALA 1818Cb -0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kbi h ALA 1818CO -0.07 -0.43 0.00 -3.47 0.00 0.00 0.00 179.25 175.28 2kbi n ASP 1819N -4.04 2.76 0.04 0.00 2.03 -0.90 -1.17 116.55 115.27 2kbi n ASP 1819Ca 0.04 -1.90 0.11 0.00 0.52 0.00 0.00 54.79 53.56 2kbi n ASP 1819Cb 0.43 -0.04 -0.09 0.00 -0.72 0.00 0.00 41.12 40.70 2kbi n ASP 1819CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kbi n ALA 1820N 1.13 2.79 -1.39 -1.67 0.00 -0.37 -4.93 120.51 116.07 2kbi n ALA 1820Ca 0.16 -0.41 -0.30 0.00 0.00 0.00 0.00 53.44 52.89 2kbi n ALA 1820Cb 0.55 -0.90 0.11 0.00 0.00 0.00 0.00 19.45 19.21 2kbi n ALA 1820CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kbi s LEU 1821N -4.75 2.49 0.48 0.00 1.43 -1.19 -5.02 118.68 112.12 2kbi s LEU 1821Ca -0.04 1.42 -0.11 0.00 -1.03 0.00 0.00 54.13 54.37 2kbi s LEU 1821Cb 0.12 -3.96 -0.06 0.00 0.03 0.00 0.00 46.19 42.32 2kbi s LEU 1821CO 0.86 -2.24 0.86 -0.44 0.23 0.00 0.00 176.35 175.62 2kbi s SER 1822N -3.67 6.46 0.76 2.29 0.01 -1.26 -4.64 113.70 113.65 2kbi s SER 1822Ca 0.62 1.24 -0.15 0.00 1.31 0.00 0.00 55.95 58.98 2kbi s SER 1822Cb -0.16 -2.38 0.06 0.00 0.21 0.00 0.00 66.02 63.75 2kbi s SER 1822CO 0.55 -0.55 1.23 -1.61 0.41 0.00 0.00 173.24 173.28 2kbi s GLU 1823N -4.25 1.90 0.00 12.44 2.02 -1.26 -1.85 118.70 127.69 2kbi s GLU 1823Ca 0.53 1.85 0.28 0.00 0.02 0.00 0.00 54.97 57.65 2kbi s GLU 1823Cb -0.10 -1.79 1.02 0.00 0.10 0.00 0.00 34.13 33.35 2kbi s GLU 1823CO 0.37 -2.04 1.77 -0.35 0.02 0.00 0.00 175.26 175.03 2kbi n PRO 1824N -2.90 0.04 0.21 0.39 -0.04 -1.26 -4.81 135.00 126.63 2kbi n PRO 1824Ca 0.14 -0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.64 2kbi n PRO 1824Cb 0.50 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.92 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 0.03 0.00 -9.20 1.53 4.07 -1.89 -3.45 115.31 106.41 2kbi h LEU 1825Ca 0.00 0.00 -0.71 0.00 0.08 0.00 0.00 57.88 57.25 2kbi h LEU 1825Cb 0.49 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.27 2kbi h LEU 1825CO 0.00 0.24 0.47 -1.14 -1.08 0.00 0.00 178.44 176.92 2kbi n ARG 1826N -4.25 0.91 -3.79 1.13 3.00 -0.77 -4.97 116.66 107.92 2kbi n ARG 1826Ca -0.02 0.33 -0.34 0.00 -0.00 0.00 0.00 57.85 57.82 2kbi n ARG 1826Cb 0.29 -1.95 -0.11 0.00 0.00 0.00 0.00 32.46 30.70 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 0.97 3.40 0.30 5.15 1.09 -0.32 -4.87 121.20 126.92 2kbi s ILE 1827Ca 0.88 -3.26 -0.30 0.00 -1.10 0.00 0.00 60.65 56.87 2kbi s ILE 1827Cb -1.05 -3.24 -0.12 0.00 -1.06 0.00 0.00 42.46 37.00 2kbi s ILE 1827CO 0.53 -0.89 1.53 0.00 -0.10 0.00 0.00 174.94 176.01 2kbi n ALA 1828N 3.14 2.19 -1.66 9.38 0.00 -1.26 -3.81 120.51 128.49 2kbi n ALA 1828Ca 0.09 0.38 -0.36 0.00 0.00 0.00 0.00 53.44 53.55 2kbi n ALA 1828Cb 0.36 -2.41 0.06 0.00 0.00 0.00 0.00 19.45 17.46 2kbi n ALA 1828CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kbi s LYS 1829N -0.75 2.62 0.25 0.00 1.02 -1.26 -4.17 119.74 117.45 2kbi s LYS 1829Ca 0.63 1.92 -0.30 0.00 0.02 0.00 0.00 55.97 58.24 2kbi s LYS 1829Cb -0.53 -1.87 -0.09 0.00 -0.52 0.00 0.00 37.83 34.82 2kbi s LYS 1829CO 0.51 -1.51 1.24 -1.25 -0.92 0.00 0.00 175.35 173.42 2kbi s PRO 1830N -3.47 4.46 0.00 -1.68 0.04 -1.26 -5.14 135.00 127.94 2kbi s PRO 1830Ca 0.79 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.83 2kbi s PRO 1830Cb -0.33 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.04 2kbi s PRO 1830CO 0.38 -0.09 0.52 0.27 0.04 0.00 0.00 177.00 178.12 2kbi n ASN 1831N 1.80 0.60 -0.27 6.66 0.23 -1.26 -4.88 115.26 118.14 2kbi n ASN 1831Ca 0.02 -1.24 0.10 0.00 -0.53 0.00 0.00 54.58 52.93 2kbi n ASN 1831Cb 0.43 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.48 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 0.74 -0.21 -3.83 3.07 -1.95 -1.09 115.11 111.85 2kbi h GLN 1832Ca 0.00 -0.04 -0.18 0.00 0.09 0.00 0.00 58.65 58.51 2kbi h GLN 1832Cb 0.66 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.05 2kbi h GLN 1832CO 0.00 0.49 -0.59 0.82 0.09 0.00 0.00 178.83 179.65 2kbi h ILE 1833N 0.76 1.29 -0.42 1.86 2.04 -2.00 -2.92 117.51 118.13 2kbi h ILE 1833Ca 0.43 -1.79 0.06 0.00 1.00 0.00 0.00 64.86 64.55 2kbi h ILE 1833Cb 0.57 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.45 2kbi h ILE 1833CO -0.19 0.57 0.11 0.28 0.00 0.00 0.00 178.15 178.92 2kbi h SER 1834N 0.50 0.07 -0.63 1.72 0.02 -1.60 -2.13 113.55 111.50 2kbi h SER 1834Ca -0.01 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 2kbi h SER 1834Cb 1.21 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 2kbi h SER 1834CO 0.13 0.07 0.14 -0.07 -1.14 0.00 0.00 176.83 175.96 2kbi h LEU 1835N 0.26 0.96 -1.48 5.07 4.07 -1.30 -2.49 115.31 120.40 2kbi h LEU 1835Ca 0.20 -0.24 0.05 0.00 0.08 0.00 0.00 57.88 57.97 2kbi h LEU 1835Cb 0.22 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.67 2kbi h LEU 1835CO -0.24 0.95 0.41 0.40 -1.08 0.00 0.00 178.44 178.88 2kbi h ILE 1836N 0.93 1.03 0.00 1.22 2.04 -1.29 -1.92 117.51 119.51 2kbi h ILE 1836Ca 0.20 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2kbi h ILE 1836Cb 0.37 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2kbi h ILE 1836CO 0.00 0.12 0.00 0.59 0.00 0.00 0.00 178.15 178.86 2kbi n ASN 1837N -4.47 0.00 -4.83 1.72 3.02 -0.83 -4.86 115.26 105.02 2kbi n ASN 1837Ca 0.08 -0.11 -0.31 0.00 -0.03 0.00 0.00 54.58 54.21 2kbi n ASN 1837Cb 0.20 -0.29 0.04 0.00 -0.61 0.00 0.00 39.78 39.12 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 -2.59 3.03 -0.94 3.52 -1.94 -0.72 -5.04 119.30 114.62 2kbi s MET 1838Ca 0.27 0.93 -0.10 0.00 -1.71 0.00 0.00 55.69 55.09 2kbi s MET 1838Cb 0.20 -2.00 0.24 0.00 2.01 0.00 0.00 34.83 35.28 2kbi s MET 1838CO 0.45 -1.03 0.89 0.34 -0.01 0.00 0.00 175.02 175.67 2kbi s ASP 1839N -3.84 6.80 -0.06 3.03 2.15 -1.26 -5.05 116.67 118.44 2kbi s ASP 1839Ca 0.58 -3.20 0.06 0.00 0.43 0.00 0.00 52.55 50.42 2kbi s ASP 1839Cb -0.14 -2.15 -0.01 0.00 -0.30 0.00 0.00 42.92 40.32 2kbi s ASP 1839CO 0.55 -0.39 -0.25 -0.76 -0.17 0.00 0.00 175.17 174.14 2kbi s LEU 1840N -0.62 2.07 0.94 -1.34 1.43 -1.26 -4.79 118.68 115.11 2kbi s LEU 1840Ca 0.24 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 2kbi s LEU 1840Cb -0.11 -1.38 0.16 0.00 0.03 0.00 0.00 46.19 44.90 2kbi s LEU 1840CO -0.09 0.23 1.16 -2.16 0.23 0.00 0.00 176.35 175.73 2kbi s PRO 1841N -0.10 0.86 -0.30 1.29 0.04 -1.26 -5.09 135.00 130.45 2kbi s PRO 1841Ca -0.06 0.15 -0.02 0.00 0.04 0.00 0.00 61.00 61.12 2kbi s PRO 1841Cb -0.14 -1.82 0.10 0.00 0.04 0.00 0.00 34.50 32.67 2kbi s PRO 1841CO 0.04 -2.36 0.10 -1.64 0.04 0.00 0.00 177.00 173.18 2kbi s MET 1842N -5.39 0.60 0.50 4.56 -1.94 -1.26 -4.60 119.30 111.77 2kbi s MET 1842Ca 0.66 -0.90 0.24 0.00 -1.71 0.00 0.00 55.69 53.98 2kbi s MET 1842Cb -0.13 -1.83 1.31 0.00 2.01 0.00 0.00 34.83 36.19 2kbi s MET 1842CO 0.53 -0.96 2.03 -0.39 -0.01 0.00 0.00 175.02 176.22 2kbi h VAL 1843N 6.48 0.70 0.00 -6.03 -1.51 -1.45 -3.14 116.25 111.29 2kbi h VAL 1843Ca -0.15 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 2kbi h VAL 1843Cb 1.02 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 2kbi h VAL 1843CO 0.45 0.15 0.00 -1.20 -1.23 0.00 0.00 177.57 175.74 2kbi n SER 1844N -3.76 0.79 0.00 4.19 7.64 -1.26 -5.01 113.62 116.21 2kbi n SER 1844Ca -0.02 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 58.65 2kbi n SER 1844Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 -0.10 0.77 0.00 0.23 0.00 -1.19 -4.81 105.19 100.09 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 -4.27 1.61 5.75 -1.26 -5.02 116.55 113.36 2kbi n ASP 1846Ca 0.00 -0.51 -0.23 0.00 -0.01 0.00 0.00 54.79 54.04 2kbi n ASP 1846Cb 0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 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 1.08 -0.03 0.11 0.52 -1.26 -1.99 118.95 117.38 2kbi s ARG 1847Ca 0.00 -1.14 0.01 0.00 -0.52 0.00 0.00 55.73 54.09 2kbi s ARG 1847Cb 0.00 -1.31 0.01 0.00 0.52 0.00 0.00 34.95 34.17 2kbi s ARG 1847CO 0.00 0.30 -0.05 0.42 0.02 0.00 0.00 175.30 176.00 2kbi s ILE 1848N -1.19 0.51 0.27 1.52 1.09 -0.23 -0.97 121.20 122.20 2kbi s ILE 1848Ca 0.05 -0.16 -0.29 0.00 -1.10 0.00 0.00 60.65 59.15 2kbi s ILE 1848Cb -0.10 -0.50 -0.09 0.00 -1.06 0.00 0.00 42.46 40.70 2kbi s ILE 1848CO 0.04 0.20 1.14 -2.28 -0.10 0.00 0.00 174.94 173.93 2kbi s HIS 1849N 0.58 3.49 0.11 3.97 5.65 -1.26 -2.47 115.29 125.35 2kbi s HIS 1849Ca -0.07 1.63 -0.25 0.00 0.25 0.00 0.00 55.06 56.61 2kbi s HIS 1849Cb -0.11 -3.36 -0.08 0.00 -1.18 0.00 0.00 32.58 27.86 2kbi s HIS 1849CO 0.00 -0.80 1.43 0.00 -0.65 0.00 0.00 174.74 174.71 2kbi h MET 1851N -0.20 0.80 -0.32 0.00 1.85 -1.95 -2.56 114.93 112.55 2kbi h MET 1851Ca 0.08 -0.16 -0.08 0.00 -0.61 0.00 0.00 59.70 58.93 2kbi h MET 1851Cb 0.41 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.31 2kbi h MET 1851CO -0.56 0.72 -0.13 -0.44 -0.40 0.00 0.00 176.91 176.10 2kbi h ASP 1852N 0.77 0.55 -0.05 1.39 5.19 -1.93 -0.32 116.42 122.02 2kbi h ASP 1852Ca 0.17 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2kbi h ASP 1852Cb 0.29 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.65 2kbi h ASP 1852CO -0.00 0.71 0.01 0.40 -3.12 0.00 0.00 179.24 177.24 2kbi h ILE 1853N 0.52 1.23 -0.10 0.35 2.04 -1.25 -1.24 117.51 119.04 2kbi h ILE 1853Ca 0.09 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.31 2kbi h ILE 1853Cb 0.53 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 2kbi h ILE 1853CO 0.03 0.19 -0.24 0.25 0.00 0.00 0.00 178.15 178.38 2kbi h LEU 1854N -0.18 -0.74 -0.54 1.44 5.85 -1.27 -1.73 115.31 118.14 2kbi h LEU 1854Ca 0.01 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.90 2kbi h LEU 1854Cb 0.29 0.32 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 2kbi h LEU 1854CO 0.00 -0.30 0.26 0.15 -0.34 0.00 0.00 178.44 178.22 2kbi h PHE 1855N -0.32 0.47 -0.90 1.25 3.57 -1.04 -0.11 116.94 119.85 2kbi h PHE 1855Ca 0.09 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2kbi h PHE 1855Cb 0.46 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 2kbi h PHE 1855CO -0.33 0.22 0.55 0.00 -2.23 0.00 0.00 178.31 176.51 2kbi h ALA 1856N 1.30 1.15 -0.04 2.41 0.00 -1.02 -2.08 119.26 120.97 2kbi h ALA 1856Ca 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2kbi h ALA 1856Cb 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2kbi h ALA 1856CO -0.18 0.60 -0.08 0.74 0.00 0.00 0.00 179.25 180.33 2kbi h PHE 1857N 1.24 0.17 -0.17 0.00 0.04 -0.78 -3.32 116.94 114.12 2kbi h PHE 1857Ca 0.32 -0.06 -0.06 0.00 2.80 0.00 0.00 57.97 60.97 2kbi h PHE 1857Cb -0.06 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 2kbi h PHE 1857CO 0.00 0.66 -0.17 1.79 -0.60 0.00 0.00 178.31 179.99 2kbi h THR 1858N -0.38 1.21 -0.79 -1.55 1.35 -1.03 -3.00 112.91 108.73 2kbi h THR 1858Ca 0.00 -0.95 0.19 0.00 -0.55 0.00 0.00 66.41 65.10 2kbi h THR 1858Cb 0.65 1.28 -0.12 0.00 -1.73 0.00 0.00 68.15 68.22 2kbi h THR 1858CO 0.02 0.29 0.17 0.11 -0.25 0.00 0.00 175.52 175.86 2kbi h LYS 1859N 0.26 0.22 -0.24 4.72 1.57 -1.47 0.18 116.57 121.81 2kbi h LYS 1859Ca 0.05 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2kbi h LYS 1859Cb 0.47 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 2kbi h LYS 1859CO 0.03 0.14 -0.04 0.00 -0.57 0.00 0.00 179.45 179.02 2kbi h ARG 1860N 0.22 0.03 -0.45 3.15 2.47 -1.66 -0.87 114.38 117.28 2kbi h ARG 1860Ca 0.46 -0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 59.06 2kbi h ARG 1860Cb 0.84 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.14 2kbi h ARG 1860CO -0.58 0.02 -0.17 0.28 0.56 0.00 0.00 179.97 180.07 2kbi h VAL 1861N 0.03 1.27 0.00 2.04 2.07 -1.44 -2.98 116.25 117.24 2kbi h VAL 1861Ca 0.12 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.32 2kbi h VAL 1861Cb 0.17 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2kbi h VAL 1861CO -0.23 0.45 0.00 0.18 0.02 0.00 0.00 177.57 177.99 2kbi n LEU 1862N -4.20 0.00 0.00 2.57 4.77 -0.03 -4.87 117.00 115.24 2kbi n LEU 1862Ca -0.01 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2kbi n LEU 1862Cb 0.42 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2kbi n LEU 1862CO 0.45 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 2kbi n GLY 1863N -0.20 0.88 0.29 -0.72 0.00 -0.95 -4.99 105.19 99.51 2kbi n GLY 1863Ca 0.04 -0.14 0.17 0.00 0.00 0.00 0.00 46.02 46.09 2kbi n GLY 1863CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kbi h GLU 1864N 1.22 0.00 0.00 1.61 4.57 -1.36 -3.49 114.58 117.12 2kbi h GLU 1864Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2kbi h GLU 1864Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2kbi h GLU 1864CO 0.00 0.04 0.00 0.43 -1.18 0.00 0.00 179.01 178.30