#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 -1.78 -2.41 1.61 -0.02 -1.26 -4.94 135.00 126.20 2kbi n PRO -3 Ca 0.00 -0.49 -0.39 0.00 -2.02 0.00 0.00 63.50 60.60 2kbi n PRO -3 Cb 0.00 -1.92 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 2kbi n PRO -3 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2kbi s GLY -2 N -2.10 0.78 0.42 -1.23 0.00 -1.26 -4.91 107.32 99.02 2kbi s GLY -2 Ca 0.61 -1.46 0.29 0.00 0.00 0.00 0.00 44.72 44.16 2kbi s GLY -2 CO 0.66 2.88 1.89 1.76 0.00 0.00 0.00 173.10 180.28 2kbi h SER -1 N 11.00 0.00 -3.19 1.64 0.02 -2.05 -3.39 113.55 117.58 2kbi h SER -1 Ca -0.13 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.39 2kbi h SER -1 Cb 1.06 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.20 2kbi h SER -1 CO 1.30 0.00 -0.75 -0.70 -1.14 0.00 0.00 176.83 175.54 2kbi s GLU 1773N -3.66 0.18 0.22 3.45 2.12 -1.26 -5.06 118.70 114.68 2kbi s GLU 1773Ca -0.01 0.04 -0.04 0.00 0.36 0.00 0.00 54.97 55.32 2kbi s GLU 1773Cb 0.09 -1.35 0.19 0.00 0.26 0.00 0.00 34.13 33.32 2kbi s GLU 1773CO 0.33 -0.51 1.61 -0.97 -0.54 0.00 0.00 175.26 175.18 2kbi h ASN 1774N 8.39 0.73 -4.19 -1.70 -1.24 -2.04 -3.47 115.58 112.06 2kbi h ASN 1774Ca -0.15 -0.28 -0.50 0.00 0.71 0.00 0.00 56.30 56.07 2kbi h ASN 1774Cb 1.13 -0.20 0.09 0.00 0.73 0.00 0.00 38.32 40.07 2kbi h ASN 1774CO 0.25 0.97 0.38 -0.36 -1.29 0.00 0.00 177.43 177.38 2kbi s PHE 1775N -4.48 2.70 0.00 0.67 0.08 -1.26 -5.01 117.98 110.69 2kbi s PHE 1775Ca -0.09 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.50 2kbi s PHE 1775Cb 0.13 -3.14 0.00 0.00 -0.57 0.00 0.00 43.02 39.43 2kbi s PHE 1775CO 0.83 -1.55 0.04 -1.13 -0.10 0.00 0.00 175.22 173.31 2kbi n SER 1776N -2.23 0.09 -2.23 1.36 3.41 -1.26 -5.05 113.62 107.70 2kbi n SER 1776Ca 0.10 -0.69 -0.06 0.00 -0.26 0.00 0.00 58.87 57.96 2kbi n SER 1776Cb 0.52 0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.51 2kbi n SER 1776CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2kbi n VAL 1777N -0.04 -0.23 -0.83 -3.33 0.24 -1.26 -4.97 118.33 107.91 2kbi n VAL 1777Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 2kbi n VAL 1777Cb 0.15 -0.78 0.23 0.00 -1.47 0.00 0.00 33.84 31.96 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 -2.14 0.10 0.63 2.33 0.00 -1.26 -4.88 121.76 116.54 2kbi s ALA 1778Ca 0.00 -0.47 0.36 0.00 0.00 0.00 0.00 51.96 51.85 2kbi s ALA 1778Cb 0.00 -3.09 2.01 0.00 0.00 0.00 0.00 23.12 22.04 2kbi s ALA 1778CO 0.00 -3.60 2.22 0.00 0.00 0.00 0.00 175.76 174.38 2kbi h THR 1779N -2.51 0.23 0.00 0.00 1.03 -2.01 -1.68 112.91 107.97 2kbi h THR 1779Ca -0.54 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.86 2kbi h THR 1779Cb 1.33 0.92 0.00 0.00 -1.07 0.00 0.00 68.15 69.33 2kbi h THR 1779CO 0.48 0.00 0.00 -0.33 -0.01 0.00 0.00 175.52 175.66 2kbi h GLU 1780N 0.00 0.00 0.00 0.00 5.08 -1.97 -1.38 114.58 116.31 2kbi h GLU 1780Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2kbi h GLU 1780Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2kbi h GLU 1780CO -0.00 0.00 0.00 1.49 -1.00 0.00 0.00 179.01 179.50 2kbi h GLU 1781N 0.00 0.00 0.00 2.33 4.81 -1.64 -3.35 114.58 116.73 2kbi h GLU 1781Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kbi h GLU 1781Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2kbi h GLU 1781CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 179.01 178.71 2kbi n SER 1782N -2.72 0.26 -4.79 1.04 7.64 -0.55 -5.06 113.62 109.44 2kbi n SER 1782Ca 0.02 -0.60 -0.29 0.00 1.01 0.00 0.00 58.87 59.01 2kbi n SER 1782Cb 0.30 0.49 0.11 0.00 -1.01 0.00 0.00 64.21 64.10 2kbi n SER 1782CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2kbi s THR 1783N -0.49 2.56 -0.13 0.44 -1.32 -1.01 -5.12 115.64 110.57 2kbi s THR 1783Ca 0.00 0.18 -0.14 0.00 -1.21 0.00 0.00 61.69 60.52 2kbi s THR 1783Cb 0.00 -2.91 0.04 0.00 -1.51 0.00 0.00 72.50 68.11 2kbi s THR 1783CO 0.00 -0.24 0.39 -1.83 -2.21 0.00 0.00 174.62 170.73 2kbi s GLU 1784N -5.20 0.50 0.00 7.08 -1.05 -1.26 -5.06 118.70 113.72 2kbi s GLU 1784Ca 0.62 0.44 0.27 0.00 -0.15 0.00 0.00 54.97 56.15 2kbi s GLU 1784Cb -0.15 0.24 0.90 0.00 -0.44 0.00 0.00 34.13 34.68 2kbi s GLU 1784CO 0.54 -0.08 1.68 -0.35 0.95 0.00 0.00 175.26 178.00 2kbi n PRO 1785N 2.60 0.17 -4.28 -4.83 -0.04 -1.26 -4.91 135.00 122.45 2kbi n PRO 1785Ca -0.14 -0.07 -0.16 0.00 -0.04 0.00 0.00 63.50 63.09 2kbi n PRO 1785Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.87 2.53 0.27 1.53 1.43 -1.26 -5.06 118.68 115.26 2kbi s LEU 1786Ca 0.16 -1.00 -0.00 0.00 -1.03 0.00 0.00 54.13 52.25 2kbi s LEU 1786Cb 0.19 -0.45 -0.02 0.00 0.03 0.00 0.00 46.19 45.93 2kbi s LEU 1786CO 0.59 -0.27 0.29 -0.55 0.23 0.00 0.00 176.35 176.64 2kbi s SER 1787N -3.17 0.74 0.42 2.29 0.15 -1.26 -5.06 113.70 107.80 2kbi s SER 1787Ca 0.18 -1.46 0.14 0.00 0.70 0.00 0.00 55.95 55.51 2kbi s SER 1787Cb 0.01 0.52 1.01 0.00 -1.71 0.00 0.00 66.02 65.85 2kbi s SER 1787CO 0.03 -1.04 1.92 -0.08 1.20 0.00 0.00 173.24 175.26 2kbi h GLU 1788N 2.32 0.45 -0.36 5.44 4.57 -2.02 -2.07 114.58 122.90 2kbi h GLU 1788Ca -0.30 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.85 2kbi h GLU 1788Cb 1.24 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 2kbi h GLU 1788CO 0.43 0.30 0.20 0.22 -1.18 0.00 0.00 179.01 178.97 2kbi h ASP 1789N 0.46 0.43 -0.24 1.04 3.58 -1.98 -0.69 116.42 119.02 2kbi h ASP 1789Ca 0.37 -0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.72 2kbi h ASP 1789Cb 0.80 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 2kbi h ASP 1789CO -0.13 0.35 -0.18 0.44 -2.88 0.00 0.00 179.24 176.84 2kbi h ASP 1790N 0.50 0.57 -0.44 2.28 3.32 -1.79 -1.32 116.42 119.55 2kbi h ASP 1790Ca 0.13 -0.45 -0.08 0.00 0.02 0.00 0.00 57.03 56.65 2kbi h ASP 1790Cb 0.01 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2kbi h ASP 1790CO -0.02 0.90 -0.04 -0.26 -1.72 0.00 0.00 179.24 178.10 2kbi h PHE 1791N 0.25 0.88 -0.41 4.55 0.04 -1.55 -0.88 116.94 119.82 2kbi h PHE 1791Ca 0.04 -0.17 0.04 0.00 2.80 0.00 0.00 57.97 60.69 2kbi h PHE 1791Cb 0.72 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.60 2kbi h PHE 1791CO 0.07 0.88 0.17 0.22 -0.60 0.00 0.00 178.31 179.05 2kbi h ASP 1792N 0.64 0.21 -0.49 2.17 3.58 -1.14 -1.66 116.42 119.73 2kbi h ASP 1792Ca 0.12 0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.63 2kbi h ASP 1792Cb 0.55 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 2kbi h ASP 1792CO 0.03 0.16 0.30 -0.03 -2.88 0.00 0.00 179.24 176.82 2kbi h MET 1793N 0.35 0.58 -0.05 0.28 4.05 -1.14 -0.51 114.93 118.50 2kbi h MET 1793Ca 0.19 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.61 2kbi h MET 1793Cb 0.14 -0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 30.77 2kbi h MET 1793CO -0.17 0.38 -0.24 0.35 0.23 0.00 0.00 176.91 177.47 2kbi h PHE 1794N 0.60 -0.63 -0.45 1.39 3.04 -0.81 -2.03 116.94 118.05 2kbi h PHE 1794Ca 0.19 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.08 2kbi h PHE 1794Cb -0.00 0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 2kbi h PHE 1794CO -0.06 -0.32 -0.08 1.88 -2.02 0.00 0.00 178.31 177.71 2kbi h TYR 1795N -0.34 0.85 -0.19 0.41 0.05 -1.15 0.07 116.97 116.68 2kbi h TYR 1795Ca 0.08 -0.14 -0.04 0.00 0.05 0.00 0.00 58.73 58.67 2kbi h TYR 1795Cb 0.45 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 2kbi h TYR 1795CO -0.30 0.83 -0.08 1.49 -1.05 0.00 0.00 178.16 179.06 2kbi h GLU 1796N 0.72 0.29 0.13 4.88 4.81 -0.90 -2.77 114.58 121.73 2kbi h GLU 1796Ca 0.13 -0.06 -0.31 0.00 -0.13 0.00 0.00 59.36 58.99 2kbi h GLU 1796Cb 0.55 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 2kbi h GLU 1796CO 0.03 0.38 -1.52 0.82 -0.73 0.00 0.00 179.01 177.99 2kbi h ILE 1797N 0.28 1.17 -0.54 2.32 1.08 -1.21 -3.39 117.51 117.22 2kbi h ILE 1797Ca 0.06 -2.79 0.09 0.00 -0.39 0.00 0.00 64.86 61.84 2kbi h ILE 1797Cb 0.32 2.79 -0.08 0.00 -3.07 0.00 0.00 36.82 36.78 2kbi h ILE 1797CO 0.02 0.83 0.11 -0.25 -0.69 0.00 0.00 178.15 178.17 2kbi h TRP 1798N 0.08 0.18 0.00 1.37 2.91 -0.71 -2.24 115.95 117.54 2kbi h TRP 1798Ca -0.24 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.81 2kbi h TRP 1798Cb 2.03 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.68 2kbi h TRP 1798CO 0.07 -0.01 0.00 1.05 -1.03 0.00 0.00 178.44 178.52 2kbi h GLU 1799N 0.25 0.00 0.00 2.65 4.11 -1.70 -0.80 114.58 119.10 2kbi h GLU 1799Ca 0.27 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.68 2kbi h GLU 1799Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2kbi h GLU 1799CO -0.35 0.00 -0.10 0.87 0.07 0.00 0.00 179.01 179.50 2kbi h LYS 1800N 0.00 0.00 0.00 1.06 1.57 -1.63 -2.78 116.57 114.79 2kbi h LYS 1800Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2kbi h LYS 1800Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2kbi h LYS 1800CO 0.00 0.10 -1.31 1.19 -0.57 0.00 0.00 179.45 178.86 2kbi n PHE 1801N -3.19 0.00 -3.28 -1.35 3.72 -0.48 -4.74 117.46 108.15 2kbi n PHE 1801Ca 0.01 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.15 2kbi n PHE 1801Cb 0.42 -0.18 -0.07 0.00 -0.94 0.00 0.00 39.48 38.72 2kbi n PHE 1801CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2kbi n ASP 1802N -1.84 3.06 0.27 4.37 2.03 -0.43 -4.90 116.55 119.11 2kbi n ASP 1802Ca -0.03 -3.33 0.17 0.00 0.52 0.00 0.00 54.79 52.13 2kbi n ASP 1802Cb 0.29 -0.64 0.71 0.00 -0.72 0.00 0.00 41.12 40.76 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 3.85 0.00 0.00 -0.67 0.13 -1.75 -2.34 132.00 131.21 2kbi h PRO 1803Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2kbi h PRO 1803Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2kbi h PRO 1803CO 0.74 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.90 2kbi n GLU 1804N -3.03 0.12 -2.21 0.86 1.02 -1.26 -4.94 120.64 111.20 2kbi n GLU 1804Ca 0.00 0.09 -0.15 0.00 -0.02 0.00 0.00 57.16 57.08 2kbi n GLU 1804Cb 0.28 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.42 -0.61 0.29 0.62 0.00 -0.88 -4.89 120.51 113.62 2kbi n ALA 1805Ca 0.08 0.15 0.16 0.00 0.00 0.00 0.00 53.44 53.83 2kbi n ALA 1805Cb 0.24 -1.72 0.79 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.12 0.00 1.35 -1.92 -3.46 112.91 108.75 2kbi h THR 1806Ca -0.36 -0.15 -0.05 0.00 -0.55 0.00 0.00 66.41 65.30 2kbi h THR 1806Cb 1.21 0.95 -0.02 0.00 -1.73 0.00 0.00 68.15 68.56 2kbi h THR 1806CO 0.44 0.00 -0.05 0.00 -0.25 0.00 0.00 175.52 175.66 2kbi n GLN 1807N -2.68 -0.38 -4.22 4.72 1.13 -1.26 -5.06 117.38 109.63 2kbi n GLN 1807Ca -0.01 0.41 -0.14 0.00 -1.94 0.00 0.00 57.00 55.32 2kbi n GLN 1807Cb 0.14 -3.94 -0.10 0.00 0.11 0.00 0.00 30.24 26.44 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 -1.99 1.19 0.14 1.08 0.08 -1.26 -1.12 117.98 116.09 2kbi s PHE 1808Ca 0.00 -0.71 0.01 0.00 0.12 0.00 0.00 56.93 56.35 2kbi s PHE 1808Cb 0.00 -0.62 -0.04 0.00 -0.57 0.00 0.00 43.02 41.78 2kbi s PHE 1808CO 0.00 0.05 -0.01 0.96 -0.10 0.00 0.00 175.22 176.11 2kbi s ILE 1809N -2.92 0.60 0.33 0.64 -4.36 -0.90 -4.72 121.20 109.87 2kbi s ILE 1809Ca 0.12 -1.95 -0.22 0.00 -0.26 0.00 0.00 60.65 58.34 2kbi s ILE 1809Cb 0.00 -1.97 -0.10 0.00 1.25 0.00 0.00 42.46 41.65 2kbi s ILE 1809CO 0.00 -0.60 0.86 -1.61 0.24 0.00 0.00 174.94 173.83 2kbi s GLU 1810N -3.91 4.33 0.49 0.37 2.02 -1.26 -1.24 118.70 119.50 2kbi s GLU 1810Ca 0.20 1.07 0.15 0.00 0.02 0.00 0.00 54.97 56.41 2kbi s GLU 1810Cb 0.06 -2.61 1.19 0.00 0.10 0.00 0.00 34.13 32.87 2kbi s GLU 1810CO 0.01 0.21 2.10 -0.92 0.02 0.00 0.00 175.26 176.68 2kbi h TYR 1811N 2.78 0.14 0.00 1.61 3.20 -1.43 -0.97 116.97 122.29 2kbi h TYR 1811Ca -0.48 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.40 2kbi h TYR 1811Cb 1.19 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.41 2kbi h TYR 1811CO 0.62 0.08 0.00 -1.13 -1.64 0.00 0.00 178.16 176.09 2kbi n SER 1812N -4.50 0.62 -0.00 -2.11 3.41 -1.26 -2.87 113.62 106.91 2kbi n SER 1812Ca 0.01 0.71 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 2kbi n SER 1812Cb 0.17 -0.82 -0.00 0.00 -0.26 0.00 0.00 64.21 63.30 2kbi n SER 1812CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2kbi n VAL 1813N -2.25 0.00 -0.37 -3.33 0.24 -0.67 -4.73 118.33 107.21 2kbi n VAL 1813Ca 0.01 -0.30 0.01 0.00 -2.04 0.00 0.00 64.34 62.02 2kbi n VAL 1813Cb 0.14 0.80 0.16 0.00 -1.47 0.00 0.00 33.84 33.47 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 1.06 -1.91 1.34 6.46 -1.07 -0.20 115.31 120.99 2kbi h LEU 1814Ca 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 2kbi h LEU 1814Cb 0.01 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 39.70 2kbi h LEU 1814CO 0.00 0.70 -0.11 0.77 -0.62 0.00 0.00 178.44 179.18 2kbi h SER 1815N 1.22 0.00 0.48 1.25 4.64 -1.85 0.66 113.55 119.95 2kbi h SER 1815Ca 0.42 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.44 2kbi h SER 1815Cb 0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 2kbi h SER 1815CO -0.15 0.11 -1.54 -0.78 -0.87 0.00 0.00 176.83 173.60 2kbi h ASP 1816N 0.00 0.30 -0.21 4.97 3.58 -1.62 -3.24 116.42 120.20 2kbi h ASP 1816Ca -0.00 -0.44 0.01 0.00 0.42 0.00 0.00 57.03 57.02 2kbi h ASP 1816Cb 0.23 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2kbi h ASP 1816CO 0.01 1.37 0.10 0.15 -2.88 0.00 0.00 179.24 178.00 2kbi h PHE 1817N 0.05 0.19 -0.54 0.28 3.57 -0.80 -1.48 116.94 118.22 2kbi h PHE 1817Ca -0.24 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.42 2kbi h PHE 1817Cb 1.99 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 40.66 2kbi h PHE 1817CO 0.05 0.11 0.39 0.00 -2.23 0.00 0.00 178.31 176.63 2kbi h ALA 1818N 1.11 2.50 -0.01 2.41 0.00 -1.00 -1.27 119.26 123.01 2kbi h ALA 1818Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kbi h ALA 1818Cb 0.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kbi h ALA 1818CO -0.06 -0.66 -0.54 -3.47 0.00 0.00 0.00 179.25 174.52 2kbi n ASP 1819N -4.37 1.15 0.07 0.00 2.03 -0.98 -1.07 116.55 113.38 2kbi n ASP 1819Ca 0.10 -0.92 0.11 0.00 0.52 0.00 0.00 54.79 54.60 2kbi n ASP 1819Cb 0.61 0.44 -0.00 0.00 -0.72 0.00 0.00 41.12 41.46 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 -0.89 2.78 -1.28 -1.67 0.00 -0.48 -4.96 120.51 114.02 2kbi n ALA 1820Ca 0.08 -0.31 -0.30 0.00 0.00 0.00 0.00 53.44 52.91 2kbi n ALA 1820Cb 0.37 -1.04 0.12 0.00 0.00 0.00 0.00 19.45 18.90 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 -4.82 2.49 0.50 0.00 1.43 -1.19 -5.01 118.68 112.07 2kbi s LEU 1821Ca -0.00 1.52 -0.09 0.00 -1.03 0.00 0.00 54.13 54.53 2kbi s LEU 1821Cb 0.12 -4.04 -0.05 0.00 0.03 0.00 0.00 46.19 42.24 2kbi s LEU 1821CO 0.80 -2.38 0.87 -0.44 0.23 0.00 0.00 176.35 175.43 2kbi s SER 1822N -3.50 6.35 0.64 2.29 0.01 -1.26 -4.58 113.70 113.64 2kbi s SER 1822Ca 0.62 1.17 -0.18 0.00 1.31 0.00 0.00 55.95 58.87 2kbi s SER 1822Cb -0.17 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 2kbi s SER 1822CO 0.56 -0.62 1.29 -1.61 0.41 0.00 0.00 173.24 173.27 2kbi s GLU 1823N -4.58 2.63 0.00 12.44 2.02 -1.26 -1.65 118.70 128.30 2kbi s GLU 1823Ca 0.51 2.05 0.28 0.00 0.02 0.00 0.00 54.97 57.83 2kbi s GLU 1823Cb -0.10 -1.87 1.00 0.00 0.10 0.00 0.00 34.13 33.25 2kbi s GLU 1823CO 0.43 -1.53 1.73 -0.35 0.02 0.00 0.00 175.26 175.56 2kbi n PRO 1824N -1.82 0.36 0.23 0.39 -0.04 -1.26 -4.83 135.00 128.03 2kbi n PRO 1824Ca 0.15 -0.14 0.10 0.00 -0.04 0.00 0.00 63.50 63.57 2kbi n PRO 1824Cb 0.48 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 32.97 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 0.34 0.00 -9.28 1.53 3.38 -1.82 -3.44 115.31 106.01 2kbi h LEU 1825Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 2kbi h LEU 1825Cb 0.44 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.24 2kbi h LEU 1825CO 0.00 0.22 0.60 -1.14 0.09 0.00 0.00 178.44 178.21 2kbi n ARG 1826N -3.50 1.33 -3.85 1.13 3.00 -0.66 -4.98 116.66 109.12 2kbi n ARG 1826Ca -0.01 0.48 -0.33 0.00 -0.00 0.00 0.00 57.85 57.99 2kbi n ARG 1826Cb 0.38 -2.15 -0.12 0.00 0.00 0.00 0.00 32.46 30.57 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 1.17 3.06 0.50 5.15 1.09 -0.24 -4.87 121.20 127.07 2kbi s ILE 1827Ca 0.86 -3.04 -0.23 0.00 -1.10 0.00 0.00 60.65 57.14 2kbi s ILE 1827Cb -0.93 -3.07 -0.06 0.00 -1.06 0.00 0.00 42.46 37.35 2kbi s ILE 1827CO 0.49 -0.81 1.31 0.00 -0.10 0.00 0.00 174.94 175.83 2kbi s ALA 1828N -0.04 2.94 0.61 9.38 0.00 -1.26 -3.85 121.76 129.53 2kbi s ALA 1828Ca 0.16 1.24 -0.19 0.00 0.00 0.00 0.00 51.96 53.17 2kbi s ALA 1828Cb -0.23 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 2kbi s ALA 1828CO -0.02 -1.13 1.25 0.15 0.00 0.00 0.00 175.76 176.01 2kbi s LYS 1829N -2.75 2.82 0.06 0.00 1.02 -1.26 -3.94 119.74 115.68 2kbi s LYS 1829Ca 0.67 1.95 -0.31 0.00 0.02 0.00 0.00 55.97 58.30 2kbi s LYS 1829Cb -0.37 -1.92 -0.07 0.00 -0.52 0.00 0.00 37.83 34.95 2kbi s LYS 1829CO 0.45 -1.36 1.38 -1.25 -0.92 0.00 0.00 175.35 173.65 2kbi s PRO 1830N -3.32 4.32 0.00 -1.68 0.04 -1.26 -5.13 135.00 127.96 2kbi s PRO 1830Ca 0.79 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.83 2kbi s PRO 1830Cb -0.34 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 30.79 2kbi s PRO 1830CO 0.36 -0.48 0.36 0.27 0.04 0.00 0.00 177.00 177.56 2kbi n ASN 1831N 4.60 0.72 -0.34 6.66 0.23 -1.25 -4.75 115.26 121.13 2kbi n ASN 1831Ca 0.12 -0.88 0.05 0.00 -0.53 0.00 0.00 54.58 53.34 2kbi n ASN 1831Cb 0.43 0.22 0.20 0.00 -2.08 0.00 0.00 39.78 38.55 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 0.92 -0.34 -3.83 -0.00 -1.94 0.28 115.11 110.21 2kbi h GLN 1832Ca 0.00 -0.06 -0.11 0.00 -0.00 0.00 0.00 58.65 58.49 2kbi h GLN 1832Cb 0.02 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.48 27.29 2kbi h GLN 1832CO 0.00 0.61 -0.21 0.82 -0.00 0.00 0.00 178.83 180.05 2kbi h ILE 1833N 0.95 1.29 -0.72 1.86 1.08 -1.99 -1.37 117.51 118.61 2kbi h ILE 1833Ca 0.45 -1.35 0.05 0.00 -0.39 0.00 0.00 64.86 63.62 2kbi h ILE 1833Cb 0.38 1.43 -0.05 0.00 -3.07 0.00 0.00 36.82 35.51 2kbi h ILE 1833CO -0.24 0.44 0.43 0.28 -0.69 0.00 0.00 178.15 178.37 2kbi h SER 1834N 0.51 0.68 0.05 1.72 0.02 -1.67 -1.88 113.55 112.98 2kbi h SER 1834Ca 0.07 0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 60.84 2kbi h SER 1834Cb 0.76 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 2kbi h SER 1834CO 0.06 0.45 -0.69 -0.07 -1.14 0.00 0.00 176.83 175.43 2kbi h LEU 1835N 0.81 0.68 -1.63 5.07 3.38 -0.93 -3.08 115.31 119.61 2kbi h LEU 1835Ca 0.31 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2kbi h LEU 1835Cb 0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2kbi h LEU 1835CO -0.15 1.18 0.23 0.40 0.09 0.00 0.00 178.44 180.19 2kbi h ILE 1836N 0.41 1.10 0.00 1.22 2.04 -1.00 -2.14 117.51 119.14 2kbi h ILE 1836Ca -0.03 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2kbi h ILE 1836Cb 1.28 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2kbi h ILE 1836CO 0.13 0.10 0.00 0.59 0.00 0.00 0.00 178.15 178.97 2kbi n ASN 1837N -4.48 0.17 -4.12 1.72 3.02 -0.73 -4.81 115.26 106.04 2kbi n ASN 1837Ca 0.02 0.53 -0.29 0.00 -0.03 0.00 0.00 54.58 54.81 2kbi n ASN 1837Cb 0.07 -0.57 0.19 0.00 -0.61 0.00 0.00 39.78 38.85 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 -3.05 0.62 -0.25 3.52 -1.94 -0.80 -5.04 119.30 112.35 2kbi s MET 1838Ca 0.10 -0.57 0.11 0.00 -1.71 0.00 0.00 55.69 53.62 2kbi s MET 1838Cb 0.13 -1.90 0.48 0.00 2.01 0.00 0.00 34.83 35.55 2kbi s MET 1838CO 0.41 -2.39 1.39 -3.47 -0.01 0.00 0.00 175.02 170.95 2kbi n ASP 1839N -3.70 2.51 -4.65 3.03 2.03 -1.26 -5.05 116.55 109.46 2kbi n ASP 1839Ca 0.16 -3.65 -0.51 0.00 0.52 0.00 0.00 54.79 51.31 2kbi n ASP 1839Cb 0.59 -0.59 -0.06 0.00 -0.72 0.00 0.00 41.12 40.35 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 -1.07 2.96 -4.59 -2.67 4.77 -1.26 -4.90 117.00 110.24 2kbi n LEU 1840Ca 0.28 0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 56.71 2kbi n LEU 1840Cb 0.93 -1.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 2kbi n LEU 1840CO 0.13 -0.28 1.28 -2.16 -1.33 0.00 0.00 177.39 175.03 2kbi s PRO 1841N 4.43 3.42 -0.87 3.23 0.04 -1.26 -4.96 135.00 139.02 2kbi s PRO 1841Ca 0.97 0.79 -0.25 0.00 0.04 0.00 0.00 61.00 62.55 2kbi s PRO 1841Cb -0.80 -4.09 -0.01 0.00 0.04 0.00 0.00 34.50 29.64 2kbi s PRO 1841CO 0.54 -1.77 1.75 -1.64 0.04 0.00 0.00 177.00 175.93 2kbi s MET 1842N 5.29 2.87 0.34 4.56 -1.94 -1.26 -4.31 119.30 124.85 2kbi s MET 1842Ca 0.60 -0.33 0.06 0.00 -1.71 0.00 0.00 55.69 54.31 2kbi s MET 1842Cb -0.13 -4.95 0.62 0.00 2.01 0.00 0.00 34.83 32.38 2kbi s MET 1842CO 0.30 -2.88 1.84 -0.39 -0.01 0.00 0.00 175.02 173.88 2kbi h VAL 1843N 6.98 1.22 0.00 -6.03 -1.51 -1.26 -3.33 116.25 112.31 2kbi h VAL 1843Ca 0.03 -0.96 0.00 0.00 -1.23 0.00 0.00 66.70 64.54 2kbi h VAL 1843Cb 1.04 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 2kbi h VAL 1843CO 1.27 0.31 0.00 -1.20 -1.23 0.00 0.00 177.57 176.72 2kbi n SER 1844N -4.22 0.12 0.00 4.19 7.64 -1.26 -5.04 113.62 115.05 2kbi n SER 1844Ca -0.00 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.85 2kbi n SER 1844Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 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 -0.01 1.52 0.16 0.23 0.00 -1.25 -4.93 105.19 100.90 2kbi n GLY 1845Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.91 1.61 5.75 -1.26 -4.90 116.55 112.83 2kbi n ASP 1846Ca 0.00 -1.19 -0.30 0.00 -0.01 0.00 0.00 54.79 53.29 2kbi n ASP 1846Cb 0.00 -0.04 -0.04 0.00 -1.03 0.00 0.00 41.12 40.01 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 3.39 -0.01 0.11 3.00 -1.26 -0.98 118.95 123.19 2kbi s ARG 1847Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 55.73 55.23 2kbi s ARG 1847Cb 0.00 -2.99 0.02 0.00 0.00 0.00 0.00 34.95 31.98 2kbi s ARG 1847CO 0.00 0.58 0.01 0.42 0.00 0.00 0.00 175.30 176.31 2kbi s ILE 1848N -1.57 0.02 0.25 1.52 1.09 -0.38 -0.66 121.20 121.48 2kbi s ILE 1848Ca 0.34 0.11 -0.30 0.00 -1.10 0.00 0.00 60.65 59.70 2kbi s ILE 1848Cb -0.12 -0.11 -0.09 0.00 -1.06 0.00 0.00 42.46 41.08 2kbi s ILE 1848CO 0.28 0.07 0.98 -2.28 -0.10 0.00 0.00 174.94 173.89 2kbi s HIS 1849N 0.69 3.89 0.18 3.97 5.65 -1.26 -2.11 115.29 126.31 2kbi s HIS 1849Ca -0.06 1.87 -0.13 0.00 0.25 0.00 0.00 55.06 56.98 2kbi s HIS 1849Cb -0.09 -3.05 0.17 0.00 -1.18 0.00 0.00 32.58 28.43 2kbi s HIS 1849CO -0.02 0.23 1.72 0.00 -0.65 0.00 0.00 174.74 176.02 2kbi h MET 1851N 0.22 0.74 -0.04 0.00 1.85 -1.95 -1.21 114.93 114.54 2kbi h MET 1851Ca 0.24 -0.32 -0.13 0.00 -0.61 0.00 0.00 59.70 58.87 2kbi h MET 1851Cb 0.31 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.31 2kbi h MET 1851CO -0.31 0.93 -0.57 -0.44 -0.40 0.00 0.00 176.91 176.12 2kbi h ASP 1852N 0.63 0.14 0.07 1.39 5.19 -1.92 0.65 116.42 122.57 2kbi h ASP 1852Ca 0.08 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kbi h ASP 1852Cb 0.80 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.27 2kbi h ASP 1852CO 0.07 0.67 -0.03 0.40 -3.12 0.00 0.00 179.24 177.23 2kbi h ILE 1853N 0.09 1.12 -0.57 0.35 2.04 -1.29 -1.93 117.51 117.32 2kbi h ILE 1853Ca -0.00 -0.63 0.07 0.00 1.00 0.00 0.00 64.86 65.30 2kbi h ILE 1853Cb 1.03 1.53 -0.06 0.00 -0.74 0.00 0.00 36.82 38.57 2kbi h ILE 1853CO 0.08 0.16 0.24 0.25 0.00 0.00 0.00 178.15 178.88 2kbi h LEU 1854N -0.37 0.29 0.16 1.44 5.85 -1.03 -0.12 115.31 121.52 2kbi h LEU 1854Ca -0.01 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.78 2kbi h LEU 1854Cb 0.32 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2kbi h LEU 1854CO 0.01 0.19 -0.29 0.15 -0.34 0.00 0.00 178.44 178.16 2kbi h PHE 1855N 0.45 -0.79 -0.66 1.25 3.04 -0.88 -0.33 116.94 119.02 2kbi h PHE 1855Ca 0.27 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.28 2kbi h PHE 1855Cb 0.28 0.33 -0.04 0.00 2.56 0.00 0.00 35.95 39.07 2kbi h PHE 1855CO -0.14 -0.40 0.40 0.00 -2.02 0.00 0.00 178.31 176.14 2kbi h ALA 1856N 0.13 0.86 -0.36 2.41 0.00 -0.98 -1.82 119.26 119.50 2kbi h ALA 1856Ca 0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2kbi h ALA 1856Cb 0.55 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2kbi h ALA 1856CO -0.15 0.13 -0.36 0.74 0.00 0.00 0.00 179.25 179.62 2kbi h PHE 1857N 0.77 1.00 0.02 0.00 -1.00 -0.83 -3.25 116.94 113.65 2kbi h PHE 1857Ca 0.27 -0.29 -0.21 0.00 2.81 0.00 0.00 57.97 60.55 2kbi h PHE 1857Cb 0.06 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.39 2kbi h PHE 1857CO -0.06 1.08 -0.96 1.79 -1.61 0.00 0.00 178.31 178.56 2kbi h THR 1858N 0.70 1.54 0.00 -1.55 1.35 -0.98 -3.31 112.91 110.66 2kbi h THR 1858Ca 0.06 -2.85 -0.01 0.00 -0.55 0.00 0.00 66.41 63.07 2kbi h THR 1858Cb 0.92 2.62 -0.00 0.00 -1.73 0.00 0.00 68.15 69.96 2kbi h THR 1858CO 0.09 0.83 -0.03 0.11 -0.25 0.00 0.00 175.52 176.26 2kbi h LYS 1859N 0.08 0.00 0.26 4.72 6.56 -1.36 -0.71 116.57 126.11 2kbi h LYS 1859Ca -0.05 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.55 2kbi h LYS 1859Cb 1.63 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 33.25 2kbi h LYS 1859CO 0.14 0.03 -0.41 0.00 -2.06 0.00 0.00 179.45 177.15 2kbi h ARG 1860N 0.00 -0.71 -0.69 3.15 3.08 -1.65 -0.44 114.38 117.11 2kbi h ARG 1860Ca -0.00 0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 2kbi h ARG 1860Cb 0.06 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2kbi h ARG 1860CO 0.00 -0.48 0.22 0.28 -1.07 0.00 0.00 179.97 178.93 2kbi h VAL 1861N -0.74 1.25 0.00 2.04 2.07 -1.38 -2.35 116.25 117.14 2kbi h VAL 1861Ca -0.01 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2kbi h VAL 1861Cb 0.71 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2kbi h VAL 1861CO -0.16 0.34 0.00 0.18 0.02 0.00 0.00 177.57 177.95 2kbi n LEU 1862N -4.31 0.00 0.00 2.57 4.77 -0.40 -4.91 117.00 114.72 2kbi n LEU 1862Ca 0.05 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2kbi n LEU 1862Cb 0.22 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2kbi n LEU 1862CO 0.41 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 2kbi n GLY 1863N 0.16 0.62 0.19 -0.72 0.00 -0.88 -4.94 105.19 99.63 2kbi n GLY 1863Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 2kbi n GLY 1863CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kbi h GLU 1864N 1.68 0.00 0.00 1.61 5.08 -1.31 -3.49 114.58 118.14 2kbi h GLU 1864Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kbi h GLU 1864Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2kbi h GLU 1864CO 0.00 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.44