#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 0.00 1.61 0.13 -2.08 -3.47 132.00 128.18 2kbi h PRO -3 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kbi h PRO -3 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kbi h PRO -3 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 2kbi n GLY -2 N 0.64 2.80 0.12 1.56 0.00 -1.26 -4.82 105.19 104.22 2kbi n GLY -2 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 0.74 -3.82 1.61 3.41 -1.26 -4.81 113.62 109.49 2kbi n SER -1 Ca 0.00 0.62 -0.12 0.00 -0.26 0.00 0.00 58.87 59.11 2kbi n SER -1 Cb 0.00 -0.80 -0.12 0.00 -0.26 0.00 0.00 64.21 63.03 2kbi n SER -1 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2kbi s GLU 1773N -3.22 0.24 -0.03 4.33 2.12 -1.26 -5.18 118.70 115.70 2kbi s GLU 1773Ca 0.07 0.17 -0.11 0.00 0.36 0.00 0.00 54.97 55.46 2kbi s GLU 1773Cb 0.11 0.11 0.02 0.00 0.26 0.00 0.00 34.13 34.63 2kbi s GLU 1773CO 0.49 -0.04 0.25 1.21 -0.54 0.00 0.00 175.26 176.63 2kbi s ASN 1774N -0.10 -0.15 0.53 -1.70 3.84 -1.26 -4.80 114.94 111.30 2kbi s ASN 1774Ca -0.02 0.13 0.31 0.00 0.21 0.00 0.00 52.86 53.50 2kbi s ASN 1774Cb -0.02 0.35 1.15 0.00 -0.55 0.00 0.00 41.25 42.18 2kbi s ASN 1774CO 0.00 -0.32 1.90 0.15 -2.79 0.00 0.00 177.10 176.04 2kbi h PHE 1775N 4.52 0.00 0.00 0.43 3.57 -2.03 -3.36 116.94 120.06 2kbi h PHE 1775Ca -0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.21 2kbi h PHE 1775Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 2kbi h PHE 1775CO 0.51 0.00 0.00 -1.13 -2.23 0.00 0.00 178.31 175.46 2kbi n SER 1776N -3.09 0.39 0.33 0.41 3.41 -1.26 -1.41 113.62 112.40 2kbi n SER 1776Ca 0.01 0.67 0.22 0.00 -0.26 0.00 0.00 58.87 59.51 2kbi n SER 1776Cb 0.35 -0.73 1.18 0.00 -0.26 0.00 0.00 64.21 64.76 2kbi n SER 1776CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2kbi h VAL 1777N 0.00 0.00 0.00 -3.33 -1.51 -1.72 -1.07 116.25 108.62 2kbi h VAL 1777Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2kbi h VAL 1777Cb 0.05 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 2kbi h VAL 1777CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 2kbi h ALA 1778N 2.00 1.00 0.00 5.19 0.00 -1.57 -3.34 119.26 122.54 2kbi h ALA 1778Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2kbi h ALA 1778Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kbi h ALA 1778CO 0.00 0.00 -0.83 2.41 0.00 0.00 0.00 179.25 180.83 2kbi n THR 1779N -2.31 1.46 -3.68 0.00 -1.04 -0.42 -5.07 114.28 103.22 2kbi n THR 1779Ca 0.03 0.16 -0.12 0.00 -2.04 0.00 0.00 64.05 62.08 2kbi n THR 1779Cb 0.30 -2.35 -0.06 0.00 -1.82 0.00 0.00 70.33 66.40 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 -2.58 0.93 -1.06 -2.82 -1.05 -1.10 -5.11 118.70 105.90 2kbi s GLU 1780Ca -0.23 -0.49 -0.20 0.00 -0.15 0.00 0.00 54.97 53.90 2kbi s GLU 1780Cb 0.03 0.41 0.09 0.00 -0.44 0.00 0.00 34.13 34.22 2kbi s GLU 1780CO 0.34 -0.33 1.42 -1.21 0.95 0.00 0.00 175.26 176.43 2kbi s GLU 1781N -2.85 3.71 0.00 -4.83 2.02 -1.26 -4.09 118.70 111.40 2kbi s GLU 1781Ca -0.03 -1.57 0.11 0.00 0.02 0.00 0.00 54.97 53.50 2kbi s GLU 1781Cb 0.00 -5.25 0.52 0.00 0.10 0.00 0.00 34.13 29.50 2kbi s GLU 1781CO -0.05 -2.07 1.24 -1.13 0.02 0.00 0.00 175.26 173.27 2kbi n SER 1782N 7.91 0.00 -3.46 -0.19 3.41 -1.26 -4.40 113.62 115.63 2kbi n SER 1782Ca 0.34 0.17 -0.37 0.00 -0.26 0.00 0.00 58.87 58.75 2kbi n SER 1782Cb 0.49 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 2kbi n SER 1782CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2kbi n THR 1783N -1.31 2.97 -1.79 6.66 -2.24 -1.26 -4.99 114.28 112.32 2kbi n THR 1783Ca 0.05 -2.15 -0.38 0.00 -2.27 0.00 0.00 64.05 59.30 2kbi n THR 1783Cb 0.09 -2.42 0.05 0.00 -2.10 0.00 0.00 70.33 65.95 2kbi n THR 1783CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2kbi s GLU 1784N 3.48 2.91 0.00 -0.78 2.02 -1.26 -4.95 118.70 120.11 2kbi s GLU 1784Ca 0.53 2.13 0.29 0.00 0.02 0.00 0.00 54.97 57.94 2kbi s GLU 1784Cb 0.14 -2.07 1.33 0.00 0.10 0.00 0.00 34.13 33.63 2kbi s GLU 1784CO -0.02 -1.34 1.91 -0.35 0.02 0.00 0.00 175.26 175.49 2kbi n PRO 1785N -1.41 0.96 -4.27 0.39 -0.04 -1.26 -4.89 135.00 124.48 2kbi n PRO 1785Ca 0.13 -0.34 -0.17 0.00 -0.04 0.00 0.00 63.50 63.08 2kbi n PRO 1785Cb 0.47 -1.49 -0.11 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 -2.27 2.48 0.22 1.53 1.43 -1.26 -5.05 118.68 115.76 2kbi s LEU 1786Ca 0.35 -0.92 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 2kbi s LEU 1786Cb 0.21 -0.52 -0.03 0.00 0.03 0.00 0.00 46.19 45.87 2kbi s LEU 1786CO 0.42 -0.20 0.20 -0.44 0.23 0.00 0.00 176.35 176.55 2kbi s SER 1787N -2.87 0.28 0.58 2.29 0.01 -1.26 -5.06 113.70 107.67 2kbi s SER 1787Ca 0.14 -1.37 0.28 0.00 1.31 0.00 0.00 55.95 56.32 2kbi s SER 1787Cb -0.02 0.43 1.73 0.00 0.21 0.00 0.00 66.02 68.37 2kbi s SER 1787CO 0.03 -0.91 2.21 -0.08 0.41 0.00 0.00 173.24 174.90 2kbi h GLU 1788N 2.52 0.00 -0.06 12.44 4.81 -2.02 -1.61 114.58 130.66 2kbi h GLU 1788Ca -0.34 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 2kbi h GLU 1788Cb 1.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 2kbi h GLU 1788CO 0.49 0.00 0.00 0.22 -0.73 0.00 0.00 179.01 178.99 2kbi h ASP 1789N 0.00 0.07 -0.12 1.04 3.58 -1.99 -1.48 116.42 117.52 2kbi h ASP 1789Ca 0.02 -0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.29 2kbi h ASP 1789Cb 0.13 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 2kbi h ASP 1789CO -0.00 0.09 -0.57 0.44 -2.88 0.00 0.00 179.24 176.31 2kbi h ASP 1790N 0.08 0.81 -0.22 2.28 3.32 -1.71 -1.03 116.42 119.95 2kbi h ASP 1790Ca 0.02 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 2kbi h ASP 1790Cb 0.05 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2kbi h ASP 1790CO 0.00 1.20 0.05 -0.26 -1.72 0.00 0.00 179.24 178.51 2kbi h PHE 1791N 0.55 0.38 -0.51 4.55 -1.00 -1.56 -1.96 116.94 117.39 2kbi h PHE 1791Ca 0.01 -0.05 0.04 0.00 2.81 0.00 0.00 57.97 60.78 2kbi h PHE 1791Cb 1.15 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 40.57 2kbi h PHE 1791CO 0.06 0.47 0.27 0.22 -1.61 0.00 0.00 178.31 177.72 2kbi h ASP 1792N 0.17 0.39 -0.20 2.17 3.58 -1.25 -2.28 116.42 119.00 2kbi h ASP 1792Ca 0.07 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.58 2kbi h ASP 1792Cb 0.29 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 2kbi h ASP 1792CO 0.00 0.27 -0.02 -0.03 -2.88 0.00 0.00 179.24 176.58 2kbi h MET 1793N 0.52 0.04 0.08 0.28 4.05 -1.13 -1.56 114.93 117.21 2kbi h MET 1793Ca 0.22 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.66 2kbi h MET 1793Cb 0.11 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.86 2kbi h MET 1793CO -0.14 0.02 -0.32 0.35 0.23 0.00 0.00 176.91 177.05 2kbi h PHE 1794N 0.04 -0.88 0.00 1.39 3.04 -1.06 -2.53 116.94 116.93 2kbi h PHE 1794Ca 0.09 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.07 2kbi h PHE 1794Cb 0.13 0.38 0.00 0.00 2.56 0.00 0.00 35.95 39.02 2kbi h PHE 1794CO -0.19 -0.42 0.00 1.88 -2.02 0.00 0.00 178.31 177.56 2kbi h TYR 1795N -0.52 0.00 0.12 0.41 0.05 -1.35 -0.69 116.97 114.99 2kbi h TYR 1795Ca 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 2kbi h TYR 1795Cb 0.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.31 2kbi h TYR 1795CO -0.31 0.00 -0.06 1.49 -1.05 0.00 0.00 178.16 178.23 2kbi h GLU 1796N 0.00 -0.16 -0.01 4.88 4.81 -1.10 -3.30 114.58 119.71 2kbi h GLU 1796Ca 0.00 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 2kbi h GLU 1796Cb 0.60 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2kbi h GLU 1796CO 0.00 0.18 -0.43 0.82 -0.73 0.00 0.00 179.01 178.85 2kbi h ILE 1797N -0.52 1.31 -0.79 2.32 1.08 -1.25 -3.28 117.51 116.39 2kbi h ILE 1797Ca -0.02 -1.49 0.15 0.00 -0.39 0.00 0.00 64.86 63.11 2kbi h ILE 1797Cb 0.42 1.79 -0.10 0.00 -3.07 0.00 0.00 36.82 35.86 2kbi h ILE 1797CO 0.03 0.43 0.34 -0.25 -0.69 0.00 0.00 178.15 178.01 2kbi h TRP 1798N 0.02 0.59 0.00 1.37 2.91 -1.20 -2.51 115.95 117.13 2kbi h TRP 1798Ca -0.00 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.05 2kbi h TRP 1798Cb 0.77 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 29.28 2kbi h TRP 1798CO 0.00 0.09 0.00 0.93 -1.03 0.00 0.00 178.44 178.43 2kbi h GLU 1799N 0.49 0.00 0.00 2.65 5.08 -1.68 -1.37 114.58 119.76 2kbi h GLU 1799Ca 0.44 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.78 2kbi h GLU 1799Cb 0.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2kbi h GLU 1799CO -0.40 0.00 -0.09 0.87 -1.00 0.00 0.00 179.01 178.39 2kbi h LYS 1800N 0.00 0.00 0.00 2.33 1.57 -1.67 -3.01 116.57 115.78 2kbi h LYS 1800Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2kbi h LYS 1800Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2kbi h LYS 1800CO 0.00 0.09 -1.29 1.19 -0.57 0.00 0.00 179.45 178.87 2kbi n PHE 1801N -3.27 0.00 -3.46 -1.35 3.01 -0.61 -4.77 117.46 107.01 2kbi n PHE 1801Ca -0.00 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.19 2kbi n PHE 1801Cb 0.32 -0.16 -0.09 0.00 -0.01 0.00 0.00 39.48 39.55 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 -1.78 2.91 0.27 4.37 2.03 -0.62 -4.90 116.55 118.82 2kbi n ASP 1802Ca -0.02 -3.25 0.16 0.00 0.52 0.00 0.00 54.79 52.20 2kbi n ASP 1802Cb 0.23 -0.67 0.61 0.00 -0.72 0.00 0.00 41.12 40.56 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 4.39 0.00 0.00 -0.67 0.13 -1.81 -2.72 132.00 131.32 2kbi h PRO 1803Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2kbi h PRO 1803Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2kbi h PRO 1803CO 0.74 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.91 2kbi n GLU 1804N -3.10 0.06 -1.74 0.86 -0.58 -1.26 -4.95 120.64 109.93 2kbi n GLU 1804Ca 0.01 0.04 -0.17 0.00 -0.42 0.00 0.00 57.16 56.62 2kbi n GLU 1804Cb 0.34 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.66 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 -1.47 -0.38 0.53 0.62 0.00 -1.02 -4.89 120.51 113.90 2kbi n ALA 1805Ca 0.07 0.24 0.07 0.00 0.00 0.00 0.00 53.44 53.83 2kbi n ALA 1805Cb 0.30 -1.78 0.32 0.00 0.00 0.00 0.00 19.45 18.29 2kbi n ALA 1805CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2kbi n THR 1806N -2.56 0.95 -1.07 0.00 -2.24 -1.26 -4.89 114.28 103.20 2kbi n THR 1806Ca -0.18 0.24 -0.02 0.00 -2.27 0.00 0.00 64.05 61.81 2kbi n THR 1806Cb 0.59 -0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 67.83 2kbi n THR 1806CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kbi n GLN 1807N -1.49 -0.32 -4.23 -0.78 1.13 -1.26 -5.06 117.38 105.37 2kbi n GLN 1807Ca 0.04 0.43 -0.18 0.00 -1.94 0.00 0.00 57.00 55.35 2kbi n GLN 1807Cb 0.17 -3.95 -0.11 0.00 0.11 0.00 0.00 30.24 26.46 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 -2.02 1.36 0.11 1.08 0.08 -1.26 -1.06 117.98 116.28 2kbi s PHE 1808Ca 0.00 -0.55 0.01 0.00 0.12 0.00 0.00 56.93 56.50 2kbi s PHE 1808Cb 0.00 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.69 2kbi s PHE 1808CO 0.00 0.13 -0.02 0.96 -0.10 0.00 0.00 175.22 176.18 2kbi s ILE 1809N -2.08 0.48 0.50 0.64 -4.36 -0.84 -4.78 121.20 110.76 2kbi s ILE 1809Ca 0.08 -1.91 -0.19 0.00 -0.26 0.00 0.00 60.65 58.37 2kbi s ILE 1809Cb -0.05 -1.80 -0.08 0.00 1.25 0.00 0.00 42.46 41.78 2kbi s ILE 1809CO 0.03 -0.75 1.00 -1.61 0.24 0.00 0.00 174.94 173.85 2kbi s GLU 1810N -3.91 3.87 0.50 0.37 2.02 -1.26 -0.82 118.70 119.47 2kbi s GLU 1810Ca 0.15 1.17 0.15 0.00 0.02 0.00 0.00 54.97 56.46 2kbi s GLU 1810Cb 0.06 -2.12 1.21 0.00 0.10 0.00 0.00 34.13 33.39 2kbi s GLU 1810CO -0.03 -0.35 2.12 -0.92 0.02 0.00 0.00 175.26 176.10 2kbi h TYR 1811N 1.29 0.10 0.00 1.61 3.20 -1.75 -2.14 116.97 119.28 2kbi h TYR 1811Ca -0.48 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.39 2kbi h TYR 1811Cb 1.20 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.44 2kbi h TYR 1811CO 0.60 0.06 0.00 0.77 -1.64 0.00 0.00 178.16 177.95 2kbi h SER 1812N 0.10 0.00 0.00 -2.11 0.02 -1.94 -3.04 113.55 106.59 2kbi h SER 1812Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2kbi h SER 1812Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2kbi h SER 1812CO -0.01 0.00 -0.23 1.33 -1.14 0.00 0.00 176.83 176.78 2kbi n VAL 1813N -2.88 0.00 -0.23 2.27 0.24 -0.84 -4.66 118.33 112.23 2kbi n VAL 1813Ca -0.01 -0.40 -0.02 0.00 -2.04 0.00 0.00 64.34 61.87 2kbi n VAL 1813Cb 0.13 0.94 0.10 0.00 -1.47 0.00 0.00 33.84 33.54 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 0.56 -1.73 1.34 6.46 -1.33 -1.09 115.31 119.53 2kbi h LEU 1814Ca 0.00 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.83 2kbi h LEU 1814Cb 0.07 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 2kbi h LEU 1814CO 0.00 0.36 0.26 0.28 -0.62 0.00 0.00 178.44 178.73 2kbi h SER 1815N 0.70 0.30 0.43 1.25 0.02 -1.83 0.48 113.55 114.89 2kbi h SER 1815Ca 0.30 -0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.94 2kbi h SER 1815Cb 0.18 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.66 2kbi h SER 1815CO -0.18 0.20 -1.46 -0.78 -1.14 0.00 0.00 176.83 173.47 2kbi h ASP 1816N 0.34 0.54 -0.61 3.07 3.58 -1.70 -3.27 116.42 118.37 2kbi h ASP 1816Ca 0.17 -0.65 0.01 0.00 0.42 0.00 0.00 57.03 56.98 2kbi h ASP 1816Cb 0.23 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 2kbi h ASP 1816CO -0.04 1.52 0.40 0.15 -2.88 0.00 0.00 179.24 178.40 2kbi h PHE 1817N 0.09 0.75 -0.48 0.28 3.57 -0.83 -2.04 116.94 118.29 2kbi h PHE 1817Ca -0.22 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.43 2kbi h PHE 1817Cb 2.05 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 40.52 2kbi h PHE 1817CO 0.08 0.46 0.38 0.00 -2.23 0.00 0.00 178.31 177.01 2kbi h ALA 1818N 1.24 2.36 -0.02 2.41 0.00 -1.01 -1.20 119.26 123.03 2kbi h ALA 1818Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2kbi h ALA 1818Cb -0.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kbi h ALA 1818CO -0.06 -0.63 -0.23 -3.47 0.00 0.00 0.00 179.25 174.86 2kbi n ASP 1819N -4.18 2.45 0.09 0.00 2.03 -0.94 -1.22 116.55 114.78 2kbi n ASP 1819Ca 0.09 -1.73 0.09 0.00 0.52 0.00 0.00 54.79 53.75 2kbi n ASP 1819Cb 0.59 0.23 -0.02 0.00 -0.72 0.00 0.00 41.12 41.19 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 4.29 0.55 -2.33 -1.67 0.00 -0.52 -3.48 119.26 116.10 2kbi h ALA 1820Ca 0.00 -0.22 -0.45 0.00 0.00 0.00 0.00 54.91 54.25 2kbi h ALA 1820Cb 0.86 0.07 0.16 0.00 0.00 0.00 0.00 17.79 18.88 2kbi h ALA 1820CO 0.00 0.24 0.21 -0.51 0.00 0.00 0.00 179.25 179.18 2kbi s LEU 1821N -5.49 1.52 0.35 0.00 1.43 -1.20 -5.03 118.68 110.26 2kbi s LEU 1821Ca -0.01 1.02 0.07 0.00 -1.03 0.00 0.00 54.13 54.18 2kbi s LEU 1821Cb 0.09 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 2kbi s LEU 1821CO 0.79 -3.19 0.37 -0.55 0.23 0.00 0.00 176.35 174.00 2kbi s SER 1822N -3.67 5.50 0.66 2.29 0.15 -1.26 -4.71 113.70 112.67 2kbi s SER 1822Ca 0.66 -0.41 -0.17 0.00 0.70 0.00 0.00 55.95 56.73 2kbi s SER 1822Cb -0.16 -1.01 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 2kbi s SER 1822CO 0.56 -0.42 1.24 -1.61 1.20 0.00 0.00 173.24 174.22 2kbi s GLU 1823N -4.08 2.51 0.00 5.44 2.02 -1.26 -1.95 118.70 121.38 2kbi s GLU 1823Ca 0.43 1.90 0.27 0.00 0.02 0.00 0.00 54.97 57.59 2kbi s GLU 1823Cb -0.07 -1.86 0.85 0.00 0.10 0.00 0.00 34.13 33.15 2kbi s GLU 1823CO 0.28 -1.59 1.65 -0.35 0.02 0.00 0.00 175.26 175.28 2kbi n PRO 1824N -2.11 0.04 0.21 0.39 -0.04 -1.26 -4.83 135.00 127.40 2kbi n PRO 1824Ca 0.14 -0.01 0.08 0.00 -0.04 0.00 0.00 63.50 63.67 2kbi n PRO 1824Cb 0.49 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.88 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 -9.42 1.53 3.38 -1.83 -3.45 115.31 105.56 2kbi h LEU 1825Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 2kbi h LEU 1825Cb 0.49 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.31 2kbi h LEU 1825CO 0.00 0.28 0.54 -1.14 0.09 0.00 0.00 178.44 178.21 2kbi n ARG 1826N -3.48 1.61 -3.97 1.13 3.00 -0.82 -4.95 116.66 109.17 2kbi n ARG 1826Ca -0.00 0.58 -0.31 0.00 -0.00 0.00 0.00 57.85 58.12 2kbi n ARG 1826Cb 0.45 -2.22 -0.14 0.00 0.00 0.00 0.00 32.46 30.54 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 0.33 2.50 0.45 5.15 1.09 -0.36 -4.85 121.20 125.52 2kbi s ILE 1827Ca 0.77 -2.93 -0.25 0.00 -1.10 0.00 0.00 60.65 57.14 2kbi s ILE 1827Cb -0.79 -2.78 -0.08 0.00 -1.06 0.00 0.00 42.46 37.75 2kbi s ILE 1827CO 0.46 -0.72 1.41 0.00 -0.10 0.00 0.00 174.94 175.99 2kbi s ALA 1828N 0.19 3.22 0.75 9.38 0.00 -1.26 -3.93 121.76 130.10 2kbi s ALA 1828Ca 0.15 1.43 -0.14 0.00 0.00 0.00 0.00 51.96 53.40 2kbi s ALA 1828Cb -0.23 -3.57 0.05 0.00 0.00 0.00 0.00 23.12 19.36 2kbi s ALA 1828CO -0.03 -1.15 1.15 0.15 0.00 0.00 0.00 175.76 175.88 2kbi s LYS 1829N -2.45 2.16 0.25 0.00 1.02 -1.26 -4.09 119.74 115.37 2kbi s LYS 1829Ca 0.61 1.54 -0.31 0.00 0.02 0.00 0.00 55.97 57.83 2kbi s LYS 1829Cb -0.43 -1.86 -0.11 0.00 -0.52 0.00 0.00 37.83 34.91 2kbi s LYS 1829CO 0.55 -1.77 1.61 -2.14 -0.92 0.00 0.00 175.35 172.67 2kbi s PRO 1830N -4.22 4.15 0.00 -1.68 0.02 -1.26 -5.14 135.00 126.87 2kbi s PRO 1830Ca 0.69 2.53 0.00 0.00 0.02 0.00 0.00 61.00 64.24 2kbi s PRO 1830Cb -0.24 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.22 2kbi s PRO 1830CO 0.48 -0.64 0.17 0.27 -0.33 0.00 0.00 177.00 176.95 2kbi n ASN 1831N 2.92 0.35 -0.16 2.53 0.23 -1.26 -4.82 115.26 115.05 2kbi n ASN 1831Ca 0.11 -0.71 0.04 0.00 -0.53 0.00 0.00 54.58 53.49 2kbi n ASN 1831Cb 0.37 0.24 0.32 0.00 -2.08 0.00 0.00 39.78 38.64 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 0.80 -0.55 -3.83 3.07 -1.94 -1.61 115.11 111.06 2kbi h GLN 1832Ca 0.00 -0.05 -0.06 0.00 0.09 0.00 0.00 58.65 58.63 2kbi h GLN 1832Cb 0.12 -0.18 -0.02 0.00 0.08 0.00 0.00 27.48 27.48 2kbi h GLN 1832CO 0.00 0.53 0.10 0.82 0.09 0.00 0.00 178.83 180.36 2kbi h ILE 1833N 0.82 1.24 -0.14 1.86 2.04 -1.99 -1.59 117.51 119.74 2kbi h ILE 1833Ca 0.26 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 2kbi h ILE 1833Cb 0.04 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2kbi h ILE 1833CO -0.07 0.33 0.08 -1.28 0.00 0.00 0.00 178.15 177.21 2kbi h SER 1834N 0.82 0.18 -0.85 1.72 0.87 -1.64 -1.93 113.55 112.72 2kbi h SER 1834Ca 0.17 -0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.70 2kbi h SER 1834Cb 0.36 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.21 2kbi h SER 1834CO 0.01 0.22 0.53 -0.07 -0.53 0.00 0.00 176.83 176.99 2kbi h LEU 1835N 0.13 0.85 -1.34 2.23 3.38 -1.11 -1.45 115.31 117.99 2kbi h LEU 1835Ca 0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kbi h LEU 1835Cb 0.08 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2kbi h LEU 1835CO -0.01 0.55 0.41 0.40 0.09 0.00 0.00 178.44 179.89 2kbi h ILE 1836N 0.99 1.17 0.00 1.22 2.04 -1.16 -2.57 117.51 119.19 2kbi h ILE 1836Ca 0.36 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2kbi h ILE 1836Cb 0.12 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2kbi h ILE 1836CO -0.16 0.17 0.00 0.78 0.00 0.00 0.00 178.15 178.94 2kbi h ASN 1837N 0.88 0.00 -4.19 1.72 2.35 -0.50 -3.46 115.58 112.38 2kbi h ASN 1837Ca 0.24 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.52 2kbi h ASN 1837Cb -0.08 0.00 0.13 0.00 0.05 0.00 0.00 38.32 38.42 2kbi h ASN 1837CO -0.05 0.00 0.29 -0.04 -1.65 0.00 0.00 177.43 175.98 2kbi s MET 1838N -3.17 1.24 -0.05 0.81 -1.94 -0.64 -4.99 119.30 110.56 2kbi s MET 1838Ca 0.08 0.42 0.11 0.00 -1.71 0.00 0.00 55.69 54.59 2kbi s MET 1838Cb 0.08 -1.84 0.40 0.00 2.01 0.00 0.00 34.83 35.48 2kbi s MET 1838CO 0.63 -2.15 1.25 -3.47 -0.01 0.00 0.00 175.02 171.28 2kbi n ASP 1839N -3.76 2.76 -4.60 3.03 2.03 -1.26 -5.00 116.55 109.75 2kbi n ASP 1839Ca 0.06 -2.21 -0.54 0.00 0.52 0.00 0.00 54.79 52.62 2kbi n ASP 1839Cb 0.58 -0.41 -0.07 0.00 -0.72 0.00 0.00 41.12 40.50 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 0.55 2.35 -4.85 -2.67 4.77 -1.26 -4.99 117.00 110.89 2kbi n LEU 1840Ca 0.14 0.83 -0.30 0.00 -0.03 0.00 0.00 56.01 56.65 2kbi n LEU 1840Cb 0.52 -1.19 0.21 0.00 -2.33 0.00 0.00 43.42 40.62 2kbi n LEU 1840CO 0.13 -0.49 0.83 -2.16 -1.33 0.00 0.00 177.39 174.36 2kbi s PRO 1841N 4.62 0.01 -0.03 3.23 0.04 -1.26 -5.12 135.00 136.49 2kbi s PRO 1841Ca 1.03 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2kbi s PRO 1841Cb -0.98 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 31.81 2kbi s PRO 1841CO 0.59 -2.84 -0.00 -1.64 0.04 0.00 0.00 177.00 173.15 2kbi s MET 1842N -5.83 0.35 0.30 4.56 -1.94 -1.26 -4.69 119.30 110.79 2kbi s MET 1842Ca 0.75 0.08 0.16 0.00 -1.71 0.00 0.00 55.69 54.96 2kbi s MET 1842Cb -0.04 -0.56 0.28 0.00 2.01 0.00 0.00 34.83 36.53 2kbi s MET 1842CO 0.54 -0.15 1.54 -0.39 -0.01 0.00 0.00 175.02 176.55 2kbi h VAL 1843N 6.25 0.95 0.00 -6.03 -1.51 -1.34 -3.36 116.25 111.21 2kbi h VAL 1843Ca -0.39 -2.06 0.00 0.00 -1.23 0.00 0.00 66.70 63.02 2kbi h VAL 1843Cb 1.13 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 32.56 2kbi h VAL 1843CO 0.44 0.49 0.00 -1.54 -1.23 0.00 0.00 177.57 175.73 2kbi n SER 1844N -3.36 0.36 0.00 4.19 3.41 -1.26 -5.01 113.62 111.95 2kbi n SER 1844Ca 0.01 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 2kbi n SER 1844Cb 0.67 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 2kbi n SER 1844CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kbi n GLY 1845N -0.08 0.63 0.00 5.00 0.00 -1.26 -4.84 105.19 104.64 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 -4.32 1.61 5.75 -1.26 -5.04 116.55 113.28 2kbi n ASP 1846Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.57 2kbi n ASP 1846Cb 0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 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 1.26 -0.02 0.11 0.52 -1.26 -1.91 118.95 117.64 2kbi s ARG 1847Ca 0.00 -1.42 0.00 0.00 -0.52 0.00 0.00 55.73 53.79 2kbi s ARG 1847Cb 0.00 -1.25 0.03 0.00 0.52 0.00 0.00 34.95 34.24 2kbi s ARG 1847CO 0.00 0.25 0.02 0.42 0.02 0.00 0.00 175.30 176.00 2kbi s ILE 1848N -2.20 0.02 0.35 1.52 1.09 -0.00 -0.75 121.20 121.24 2kbi s ILE 1848Ca 0.16 0.15 -0.27 0.00 -1.10 0.00 0.00 60.65 59.59 2kbi s ILE 1848Cb -0.05 -0.13 -0.09 0.00 -1.06 0.00 0.00 42.46 41.13 2kbi s ILE 1848CO 0.06 0.10 1.12 -2.28 -0.10 0.00 0.00 174.94 173.84 2kbi s HIS 1849N 0.92 3.29 0.15 3.97 5.65 -1.26 -1.99 115.29 126.02 2kbi s HIS 1849Ca -0.08 1.62 -0.20 0.00 0.25 0.00 0.00 55.06 56.64 2kbi s HIS 1849Cb -0.12 -3.31 0.05 0.00 -1.18 0.00 0.00 32.58 28.02 2kbi s HIS 1849CO -0.02 -0.92 1.65 0.00 -0.65 0.00 0.00 174.74 174.79 2kbi h MET 1851N -0.15 0.40 0.00 0.00 1.85 -1.94 -1.84 114.93 113.25 2kbi h MET 1851Ca 0.15 -0.15 -0.08 0.00 -0.61 0.00 0.00 59.70 59.01 2kbi h MET 1851Cb 0.38 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.38 2kbi h MET 1851CO -0.38 0.65 -0.39 -0.44 -0.40 0.00 0.00 176.91 175.96 2kbi h ASP 1852N 0.35 0.00 -0.01 1.39 5.19 -1.89 0.12 116.42 121.58 2kbi h ASP 1852Ca 0.05 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.45 2kbi h ASP 1852Cb 0.68 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.19 2kbi h ASP 1852CO 0.05 0.39 -0.02 0.40 -3.12 0.00 0.00 179.24 176.94 2kbi h ILE 1853N 0.00 1.47 -0.82 0.35 2.04 -1.15 -3.01 117.51 116.39 2kbi h ILE 1853Ca -0.00 -1.41 0.09 0.00 1.00 0.00 0.00 64.86 64.55 2kbi h ILE 1853Cb 0.78 2.40 -0.07 0.00 -0.74 0.00 0.00 36.82 39.19 2kbi h ILE 1853CO 0.05 0.37 0.47 0.25 0.00 0.00 0.00 178.15 179.29 2kbi h LEU 1854N -0.56 0.67 -0.17 1.44 5.85 -1.09 -0.85 115.31 120.60 2kbi h LEU 1854Ca -0.00 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.81 2kbi h LEU 1854Cb 0.61 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 2kbi h LEU 1854CO 0.00 0.38 -0.14 0.15 -0.34 0.00 0.00 178.44 178.50 2kbi h PHE 1855N 0.79 -0.34 0.09 1.25 3.57 -0.84 0.33 116.94 121.80 2kbi h PHE 1855Ca 0.40 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.92 2kbi h PHE 1855Cb 0.37 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.29 2kbi h PHE 1855CO -0.06 -0.20 -0.05 0.00 -2.23 0.00 0.00 178.31 175.77 2kbi h ALA 1856N 0.97 -0.13 -0.20 2.41 0.00 -1.31 -2.00 119.26 118.99 2kbi h ALA 1856Ca 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2kbi h ALA 1856Cb 0.31 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2kbi h ALA 1856CO -0.26 -0.56 -0.09 0.74 0.00 0.00 0.00 179.25 179.08 2kbi h PHE 1857N -0.16 0.33 0.04 0.00 -1.00 -0.92 -1.99 116.94 113.25 2kbi h PHE 1857Ca -0.01 -0.03 -0.23 0.00 2.81 0.00 0.00 57.97 60.50 2kbi h PHE 1857Cb 0.13 -0.10 0.02 0.00 3.61 0.00 0.00 35.95 39.61 2kbi h PHE 1857CO -0.06 0.41 -0.92 1.79 -1.61 0.00 0.00 178.31 177.92 2kbi h THR 1858N 0.31 1.35 -0.15 -1.55 1.35 -0.96 -3.32 112.91 109.94 2kbi h THR 1858Ca 0.06 -2.26 -0.00 0.00 -0.55 0.00 0.00 66.41 63.66 2kbi h THR 1858Cb 0.35 2.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.38 2kbi h THR 1858CO 0.02 0.68 0.09 0.11 -0.25 0.00 0.00 175.52 176.16 2kbi h LYS 1859N 0.12 0.20 -0.87 4.72 1.57 -1.08 -0.77 116.57 120.46 2kbi h LYS 1859Ca -0.13 -0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.78 2kbi h LYS 1859Cb 1.61 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.81 2kbi h LYS 1859CO 0.18 0.14 0.57 0.00 -0.57 0.00 0.00 179.45 179.77 2kbi h ARG 1860N 0.20 0.65 0.07 3.15 2.47 -1.47 -0.52 114.38 118.93 2kbi h ARG 1860Ca 0.05 -0.04 -0.15 0.00 -1.26 0.00 0.00 59.98 58.59 2kbi h ARG 1860Cb -0.00 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.17 2kbi h ARG 1860CO -0.01 0.43 -0.72 0.28 0.56 0.00 0.00 179.97 180.51 2kbi h VAL 1861N 0.67 1.43 -0.38 2.04 2.07 -1.31 -3.37 116.25 117.39 2kbi h VAL 1861Ca 0.44 -2.39 -0.05 0.00 0.82 0.00 0.00 66.70 65.52 2kbi h VAL 1861Cb 0.71 3.03 -0.02 0.00 -1.52 0.00 0.00 31.29 33.50 2kbi h VAL 1861CO -0.19 0.62 0.04 -0.07 0.02 0.00 0.00 177.57 177.98 2kbi h LEU 1862N -0.66 0.54 0.00 2.57 3.38 -1.13 -3.48 115.31 116.53 2kbi h LEU 1862Ca -0.16 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2kbi h LEU 1862Cb 1.40 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2kbi h LEU 1862CO 0.03 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.76 2kbi n GLY 1863N -0.90 2.23 2.34 0.83 0.00 -0.22 -4.17 105.19 105.29 2kbi n GLY 1863Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 2kbi n GLY 1863CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kbi n GLU 1864N -2.00 -1.52 0.00 1.61 2.13 -1.26 -5.07 120.64 114.53 2kbi n GLU 1864Ca 0.00 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.78 2kbi n GLU 1864Cb 0.00 -5.36 0.00 0.00 0.27 0.00 0.00 31.44 26.35 2kbi n GLU 1864CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15