#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 0.11 -1.40 1.61 -0.04 -1.26 -4.89 135.00 129.13 2kbi n PRO -3 Ca 0.00 0.17 -0.30 0.00 -0.04 0.00 0.00 63.50 63.33 2kbi n PRO -3 Cb 0.00 -1.65 0.11 0.00 -0.04 0.00 0.00 33.50 31.92 2kbi n PRO -3 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2kbi s GLY -2 N -3.25 1.62 0.24 0.55 0.00 -1.26 -4.99 107.32 100.23 2kbi s GLY -2 Ca 0.10 -0.12 0.26 0.00 0.00 0.00 0.00 44.72 44.96 2kbi s GLY -2 CO 0.48 0.32 1.76 1.48 0.00 0.00 0.00 173.10 177.14 2kbi h SER -1 N -1.27 0.00 -3.13 1.64 4.64 -2.10 -3.44 113.55 109.88 2kbi h SER -1 Ca -0.48 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.28 2kbi h SER -1 Cb 1.27 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.31 2kbi h SER -1 CO 0.57 0.00 1.11 -0.70 -0.87 0.00 0.00 176.83 176.94 2kbi s GLU 1773N -3.15 3.50 0.71 4.77 2.12 -1.26 -5.03 118.70 120.36 2kbi s GLU 1773Ca 0.09 0.98 -0.15 0.00 0.36 0.00 0.00 54.97 56.25 2kbi s GLU 1773Cb 0.11 -4.07 0.03 0.00 0.26 0.00 0.00 34.13 30.46 2kbi s GLU 1773CO 0.58 -1.66 1.16 1.21 -0.54 0.00 0.00 175.26 176.01 2kbi s ASN 1774N 4.40 4.51 0.46 -1.70 2.47 -1.26 -4.96 114.94 118.86 2kbi s ASN 1774Ca 0.64 2.20 0.16 0.00 0.42 0.00 0.00 52.86 56.27 2kbi s ASN 1774Cb -0.15 -2.57 1.05 0.00 -1.45 0.00 0.00 41.25 38.13 2kbi s ASN 1774CO 0.32 -2.04 2.01 0.15 -3.72 0.00 0.00 177.10 173.81 2kbi h PHE 1775N -0.25 0.00 -4.20 0.43 3.57 -1.99 -3.45 116.94 111.06 2kbi h PHE 1775Ca -0.47 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 60.90 2kbi h PHE 1775Cb 1.27 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 39.86 2kbi h PHE 1775CO 0.50 0.17 -0.68 -1.12 -2.23 0.00 0.00 178.31 174.95 2kbi s SER 1776N -6.93 0.55 0.25 0.41 0.01 -1.26 -5.06 113.70 101.66 2kbi s SER 1776Ca -0.04 -1.01 0.25 0.00 1.31 0.00 0.00 55.95 56.47 2kbi s SER 1776Cb 0.16 0.19 0.89 0.00 0.21 0.00 0.00 66.02 67.47 2kbi s SER 1776CO 0.69 -0.59 1.75 0.55 0.41 0.00 0.00 173.24 176.05 2kbi n VAL 1777N 0.09 0.71 -1.38 3.43 3.14 -1.26 -4.94 118.33 118.11 2kbi n VAL 1777Ca -0.14 -0.05 -0.14 0.00 -2.96 0.00 0.00 64.34 61.05 2kbi n VAL 1777Cb 0.61 -0.86 -0.06 0.00 -1.06 0.00 0.00 33.84 32.47 2kbi n VAL 1777CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kbi n ALA 1778N -1.80 -0.22 -2.37 1.55 0.00 -1.26 -4.96 120.51 111.46 2kbi n ALA 1778Ca 0.04 0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.62 2kbi n ALA 1778Cb 0.34 -1.75 -0.09 0.00 0.00 0.00 0.00 19.45 17.96 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 -2.17 0.12 -2.88 0.00 -1.32 -1.26 -5.04 115.64 103.09 2kbi s THR 1779Ca 0.00 -1.62 0.24 0.00 -1.21 0.00 0.00 61.69 59.10 2kbi s THR 1779Cb 0.00 -1.78 0.20 0.00 -1.51 0.00 0.00 72.50 69.41 2kbi s THR 1779CO 0.00 -0.54 1.28 -0.62 -2.21 0.00 0.00 174.62 172.53 2kbi n GLU 1780N -0.09 2.18 -1.59 7.08 1.02 -1.26 -5.00 120.64 122.98 2kbi n GLU 1780Ca -0.09 -1.78 -0.19 0.00 -0.02 0.00 0.00 57.16 55.08 2kbi n GLU 1780Cb 0.63 -1.46 -0.08 0.00 -0.02 0.00 0.00 31.44 30.50 2kbi n GLU 1780CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2kbi n GLU 1781N 1.14 -1.36 -3.79 3.49 2.13 -1.26 -4.98 120.64 116.00 2kbi n GLU 1781Ca 0.14 1.18 -0.22 0.00 0.66 0.00 0.00 57.16 58.92 2kbi n GLU 1781Cb 0.57 -5.51 -0.17 0.00 0.27 0.00 0.00 31.44 26.59 2kbi n GLU 1781CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2kbi s SER 1782N -2.77 1.38 0.00 4.31 0.15 -1.26 -5.02 113.70 110.48 2kbi s SER 1782Ca 0.00 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2kbi s SER 1782Cb 0.00 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2kbi s SER 1782CO 0.00 -0.19 0.68 0.35 1.20 0.00 0.00 173.24 175.28 2kbi n THR 1783N 5.01 0.40 -1.61 6.45 -2.24 -1.26 -5.11 114.28 115.92 2kbi n THR 1783Ca -0.09 -0.41 -0.34 0.00 -2.27 0.00 0.00 64.05 60.93 2kbi n THR 1783Cb 0.50 0.85 0.07 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.40 2.44 0.00 -0.78 2.02 -1.26 -4.95 118.70 115.77 2kbi s GLU 1784Ca 0.00 1.67 0.27 0.00 0.02 0.00 0.00 54.97 56.93 2kbi s GLU 1784Cb 0.00 -1.88 1.39 0.00 0.10 0.00 0.00 34.13 33.75 2kbi s GLU 1784CO 0.00 -1.58 1.92 -0.35 0.02 0.00 0.00 175.26 175.27 2kbi n PRO 1785N -2.46 0.46 -4.27 0.39 -0.04 -1.26 -4.86 135.00 122.96 2kbi n PRO 1785Ca 0.13 0.03 -0.15 0.00 -0.04 0.00 0.00 63.50 63.46 2kbi n PRO 1785Cb 0.51 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.48 2.53 0.34 1.53 1.43 -1.26 -5.04 118.68 115.72 2kbi s LEU 1786Ca 0.28 -1.00 0.04 0.00 -1.03 0.00 0.00 54.13 52.42 2kbi s LEU 1786Cb 0.18 -0.42 -0.02 0.00 0.03 0.00 0.00 46.19 45.96 2kbi s LEU 1786CO 0.39 -0.29 0.36 -0.94 0.23 0.00 0.00 176.35 176.11 2kbi s SER 1787N -3.13 1.44 0.54 2.29 1.04 -1.26 -5.04 113.70 109.58 2kbi s SER 1787Ca 0.17 -1.68 0.25 0.00 0.48 0.00 0.00 55.95 55.17 2kbi s SER 1787Cb 0.01 0.61 1.43 0.00 0.10 0.00 0.00 66.02 68.17 2kbi s SER 1787CO 0.02 -1.17 2.04 -0.08 0.98 0.00 0.00 173.24 175.03 2kbi h GLU 1788N 2.11 0.00 -0.32 4.02 4.81 -2.02 -2.40 114.58 120.78 2kbi h GLU 1788Ca -0.26 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.92 2kbi h GLU 1788Cb 1.23 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 2kbi h GLU 1788CO 0.37 0.00 -0.02 0.22 -0.73 0.00 0.00 179.01 178.85 2kbi h ASP 1789N 0.00 0.47 -0.18 1.04 3.58 -1.98 -0.16 116.42 119.20 2kbi h ASP 1789Ca 0.17 -0.09 -0.13 0.00 0.42 0.00 0.00 57.03 57.40 2kbi h ASP 1789Cb 0.74 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 2kbi h ASP 1789CO -0.00 0.56 -0.34 0.44 -2.88 0.00 0.00 179.24 177.02 2kbi h ASP 1790N 0.48 0.72 -0.27 2.28 3.32 -1.84 -1.08 116.42 120.03 2kbi h ASP 1790Ca 0.10 -0.30 -0.09 0.00 0.02 0.00 0.00 57.03 56.76 2kbi h ASP 1790Cb 0.35 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2kbi h ASP 1790CO 0.01 0.99 -0.19 -0.26 -1.72 0.00 0.00 179.24 178.08 2kbi h PHE 1791N 0.58 0.72 -0.55 4.55 0.04 -1.50 -1.58 116.94 119.20 2kbi h PHE 1791Ca 0.06 -0.19 0.03 0.00 2.80 0.00 0.00 57.97 60.67 2kbi h PHE 1791Cb 0.85 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.80 2kbi h PHE 1791CO 0.04 0.88 0.32 0.22 -0.60 0.00 0.00 178.31 179.17 2kbi h ASP 1792N 0.34 0.50 0.10 2.17 3.58 -0.99 -1.28 116.42 120.84 2kbi h ASP 1792Ca 0.05 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.53 2kbi h ASP 1792Cb 0.73 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.66 2kbi h ASP 1792CO 0.05 0.35 -0.20 -0.03 -2.88 0.00 0.00 179.24 176.52 2kbi h MET 1793N 0.62 -0.37 0.10 0.28 4.05 -1.19 -1.40 114.93 117.03 2kbi h MET 1793Ca 0.23 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.69 2kbi h MET 1793Cb 0.07 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.90 2kbi h MET 1793CO -0.12 -0.24 -0.49 0.35 0.23 0.00 0.00 176.91 176.63 2kbi h PHE 1794N -0.38 -1.42 0.00 1.39 3.04 -0.90 -1.75 116.94 116.92 2kbi h PHE 1794Ca 0.03 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.02 2kbi h PHE 1794Cb 0.41 0.61 -0.00 0.00 2.56 0.00 0.00 35.95 39.52 2kbi h PHE 1794CO -0.20 -0.57 -0.01 1.88 -2.02 0.00 0.00 178.31 177.39 2kbi h TYR 1795N -0.71 0.00 0.19 0.41 0.05 -1.25 -0.33 116.97 115.33 2kbi h TYR 1795Ca 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2kbi h TYR 1795Cb 0.73 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.48 2kbi h TYR 1795CO -0.43 0.01 -0.09 1.49 -1.05 0.00 0.00 178.16 178.08 2kbi h GLU 1796N 0.00 -0.25 -0.10 4.88 4.81 -1.02 -3.32 114.58 119.59 2kbi h GLU 1796Ca -0.00 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2kbi h GLU 1796Cb 0.55 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2kbi h GLU 1796CO 0.00 0.13 -0.23 0.82 -0.73 0.00 0.00 179.01 179.01 2kbi h ILE 1797N -0.71 1.21 -0.91 2.32 1.08 -1.12 -3.16 117.51 116.22 2kbi h ILE 1797Ca -0.03 -0.97 0.15 0.00 -0.39 0.00 0.00 64.86 63.62 2kbi h ILE 1797Cb 0.49 1.39 -0.09 0.00 -3.07 0.00 0.00 36.82 35.54 2kbi h ILE 1797CO 0.04 0.29 0.51 -0.25 -0.69 0.00 0.00 178.15 178.06 2kbi h TRP 1798N 0.15 0.91 0.00 1.37 2.91 -1.15 -2.28 115.95 117.86 2kbi h TRP 1798Ca 0.03 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.08 2kbi h TRP 1798Cb 0.49 -0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 28.87 2kbi h TRP 1798CO 0.01 0.25 -0.00 0.93 -1.03 0.00 0.00 178.44 178.59 2kbi h GLU 1799N 0.73 0.00 0.00 2.65 5.08 -1.65 -0.58 114.58 120.80 2kbi h GLU 1799Ca 0.49 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.85 2kbi h GLU 1799Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 2kbi h GLU 1799CO -0.35 0.00 -0.02 0.87 -1.00 0.00 0.00 179.01 178.52 2kbi h LYS 1800N 0.00 0.00 0.00 2.33 1.57 -1.61 -3.07 116.57 115.79 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 32.41 2kbi h LYS 1800CO 0.00 0.02 -1.22 1.19 -0.57 0.00 0.00 179.45 178.87 2kbi n PHE 1801N -3.12 0.00 -3.39 -1.35 3.72 -0.49 -4.77 117.46 108.05 2kbi n PHE 1801Ca 0.01 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.14 2kbi n PHE 1801Cb 0.32 -0.12 -0.08 0.00 -0.94 0.00 0.00 39.48 38.66 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 -1.74 3.12 0.25 4.37 2.03 -0.35 -4.89 116.55 119.33 2kbi n ASP 1802Ca -0.02 -3.31 0.16 0.00 0.52 0.00 0.00 54.79 52.14 2kbi n ASP 1802Cb 0.21 -0.67 0.59 0.00 -0.72 0.00 0.00 41.12 40.53 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 4.17 0.00 0.00 -0.67 0.13 -1.81 -2.64 132.00 131.19 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 -2.98 0.21 -1.89 0.86 1.02 -1.26 -4.95 120.64 111.65 2kbi n GLU 1804Ca 0.01 0.03 -0.14 0.00 -0.02 0.00 0.00 57.16 57.04 2kbi n GLU 1804Cb 0.33 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.21 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 -1.38 -0.46 0.46 0.62 0.00 -0.99 -4.89 120.51 113.87 2kbi n ALA 1805Ca 0.10 0.18 0.08 0.00 0.00 0.00 0.00 53.44 53.80 2kbi n ALA 1805Cb 0.26 -1.57 0.35 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.68 0.98 -1.04 0.00 -2.24 -1.26 -4.89 114.28 103.14 2kbi n THR 1806Ca -0.16 0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 2kbi n THR 1806Cb 0.54 -1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 67.71 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 -1.68 -0.26 -4.22 -0.78 1.13 -1.26 -5.06 117.38 105.24 2kbi n GLN 1807Ca 0.03 0.33 -0.17 0.00 -1.94 0.00 0.00 57.00 55.25 2kbi n GLN 1807Cb 0.18 -3.75 -0.11 0.00 0.11 0.00 0.00 30.24 26.67 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 -1.98 1.29 0.10 1.08 0.08 -1.26 -1.27 117.98 116.02 2kbi s PHE 1808Ca 0.00 -0.59 0.01 0.00 0.12 0.00 0.00 56.93 56.47 2kbi s PHE 1808Cb 0.00 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.73 2kbi s PHE 1808CO 0.00 0.10 -0.04 0.96 -0.10 0.00 0.00 175.22 176.14 2kbi s ILE 1809N -2.27 0.53 0.47 0.64 -4.36 -0.92 -4.77 121.20 110.52 2kbi s ILE 1809Ca 0.08 -1.91 -0.21 0.00 -0.26 0.00 0.00 60.65 58.35 2kbi s ILE 1809Cb -0.04 -1.73 -0.09 0.00 1.25 0.00 0.00 42.46 41.85 2kbi s ILE 1809CO 0.02 -0.82 1.03 -1.61 0.24 0.00 0.00 174.94 173.80 2kbi s GLU 1810N -3.88 3.87 0.42 0.37 2.02 -1.26 -0.99 118.70 119.25 2kbi s GLU 1810Ca 0.13 1.34 0.12 0.00 0.02 0.00 0.00 54.97 56.59 2kbi s GLU 1810Cb 0.06 -2.13 0.97 0.00 0.10 0.00 0.00 34.13 33.14 2kbi s GLU 1810CO -0.04 -0.37 1.98 -0.92 0.02 0.00 0.00 175.26 175.93 2kbi h TYR 1811N 1.66 0.49 0.00 1.61 3.20 -1.71 -1.60 116.97 120.61 2kbi h TYR 1811Ca -0.49 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.39 2kbi h TYR 1811Cb 1.22 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.33 2kbi h TYR 1811CO 0.57 0.24 0.00 0.43 -1.64 0.00 0.00 178.16 177.77 2kbi n SER 1812N -4.47 0.50 0.00 -2.11 7.64 -1.26 -2.82 113.62 111.10 2kbi n SER 1812Ca 0.09 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.65 2kbi n SER 1812Cb 0.32 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 2kbi n SER 1812CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2kbi n VAL 1813N -2.11 0.00 -0.33 0.44 0.24 -0.71 -4.68 118.33 111.17 2kbi n VAL 1813Ca 0.01 -0.31 0.02 0.00 -2.04 0.00 0.00 64.34 62.02 2kbi n VAL 1813Cb 0.12 0.82 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 0.90 -1.20 1.34 6.46 -1.16 -0.54 115.31 121.11 2kbi h LEU 1814Ca 0.00 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2kbi h LEU 1814Cb 0.00 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.72 2kbi h LEU 1814CO 0.00 0.56 0.54 0.77 -0.62 0.00 0.00 178.44 179.69 2kbi h SER 1815N 1.03 0.92 0.19 1.25 4.64 -1.83 0.51 113.55 120.26 2kbi h SER 1815Ca 0.41 -0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 61.47 2kbi h SER 1815Cb 0.22 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2kbi h SER 1815CO -0.19 0.66 -0.98 -0.78 -0.87 0.00 0.00 176.83 174.68 2kbi h ASP 1816N 1.09 0.70 -0.55 4.97 3.58 -1.69 -3.14 116.42 121.38 2kbi h ASP 1816Ca 0.31 -0.55 -0.00 0.00 0.42 0.00 0.00 57.03 57.20 2kbi h ASP 1816Cb -0.09 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.72 2kbi h ASP 1816CO -0.07 1.35 0.34 0.15 -2.88 0.00 0.00 179.24 178.13 2kbi h PHE 1817N 0.31 0.72 -0.27 0.28 3.57 -0.85 -1.96 116.94 118.74 2kbi h PHE 1817Ca -0.10 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.48 2kbi h PHE 1817Cb 1.62 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 2kbi h PHE 1817CO 0.08 0.49 0.21 0.00 -2.23 0.00 0.00 178.31 176.85 2kbi h ALA 1818N 1.17 2.17 -0.01 2.41 0.00 -0.95 -0.88 119.26 123.17 2kbi h ALA 1818Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2kbi h ALA 1818Cb -0.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kbi h ALA 1818CO -0.04 -0.35 -0.27 -3.47 0.00 0.00 0.00 179.25 175.13 2kbi n ASP 1819N -4.30 1.46 0.08 0.00 2.03 -0.97 -1.35 116.55 113.50 2kbi n ASP 1819Ca 0.03 -1.20 0.11 0.00 0.52 0.00 0.00 54.79 54.26 2kbi n ASP 1819Cb 0.36 0.20 -0.03 0.00 -0.72 0.00 0.00 41.12 40.93 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 -0.26 2.57 -1.58 -1.67 0.00 -0.34 -4.92 120.51 114.31 2kbi n ALA 1820Ca 0.12 -0.29 -0.29 0.00 0.00 0.00 0.00 53.44 52.98 2kbi n ALA 1820Cb 0.40 -1.04 0.16 0.00 0.00 0.00 0.00 19.45 18.97 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 -5.21 1.99 0.32 0.00 1.43 -1.21 -5.05 118.68 110.95 2kbi s LEU 1821Ca -0.02 0.74 0.06 0.00 -1.03 0.00 0.00 54.13 53.88 2kbi s LEU 1821Cb 0.10 -2.91 -0.01 0.00 0.03 0.00 0.00 46.19 43.40 2kbi s LEU 1821CO 0.81 -2.80 0.43 -0.55 0.23 0.00 0.00 176.35 174.47 2kbi s SER 1822N -4.25 5.96 0.71 2.29 0.15 -1.26 -4.70 113.70 112.61 2kbi s SER 1822Ca 0.67 -0.17 -0.16 0.00 0.70 0.00 0.00 55.95 56.99 2kbi s SER 1822Cb -0.11 -1.32 0.03 0.00 -1.71 0.00 0.00 66.02 62.91 2kbi s SER 1822CO 0.53 -0.35 1.25 -1.61 1.20 0.00 0.00 173.24 174.26 2kbi s GLU 1823N -4.12 2.20 0.00 5.44 2.02 -1.26 -1.85 118.70 121.13 2kbi s GLU 1823Ca 0.42 1.90 0.27 0.00 0.02 0.00 0.00 54.97 57.59 2kbi s GLU 1823Cb -0.09 -1.82 0.88 0.00 0.10 0.00 0.00 34.13 33.20 2kbi s GLU 1823CO 0.30 -1.83 1.67 -0.35 0.02 0.00 0.00 175.26 175.08 2kbi n PRO 1824N -2.49 0.10 0.15 0.39 -0.04 -1.26 -4.81 135.00 127.03 2kbi n PRO 1824Ca 0.15 -0.04 0.02 0.00 -0.04 0.00 0.00 63.50 63.59 2kbi n PRO 1824Cb 0.49 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.84 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 0.09 0.14 -9.24 1.53 4.07 -1.87 -3.44 115.31 106.59 2kbi h LEU 1825Ca 0.00 -0.04 -0.69 0.00 0.08 0.00 0.00 57.88 57.23 2kbi h LEU 1825Cb 0.48 -0.04 0.04 0.00 1.08 0.00 0.00 40.66 42.22 2kbi h LEU 1825CO 0.00 0.37 0.72 -1.14 -1.08 0.00 0.00 178.44 177.31 2kbi n ARG 1826N -4.22 1.32 -3.74 1.13 3.00 -0.77 -4.94 116.66 108.44 2kbi n ARG 1826Ca -0.01 0.48 -0.36 0.00 -0.00 0.00 0.00 57.85 57.96 2kbi n ARG 1826Cb 0.31 -2.17 -0.10 0.00 0.00 0.00 0.00 32.46 30.50 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 2.08 3.59 0.19 5.15 1.09 -0.46 -4.82 121.20 128.02 2kbi s ILE 1827Ca 0.90 -2.83 -0.33 0.00 -1.10 0.00 0.00 60.65 57.30 2kbi s ILE 1827Cb -0.96 -3.37 -0.13 0.00 -1.06 0.00 0.00 42.46 36.94 2kbi s ILE 1827CO 0.54 -0.84 1.61 0.00 -0.10 0.00 0.00 174.94 176.14 2kbi n ALA 1828N 3.65 1.81 -1.77 9.38 0.00 -1.26 -3.86 120.51 128.46 2kbi n ALA 1828Ca 0.06 0.43 -0.40 0.00 0.00 0.00 0.00 53.44 53.53 2kbi n ALA 1828Cb 0.38 -2.40 0.01 0.00 0.00 0.00 0.00 19.45 17.45 2kbi n ALA 1828CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kbi s LYS 1829N 0.82 3.80 0.39 0.00 2.20 -1.26 -4.20 119.74 121.49 2kbi s LYS 1829Ca 0.76 2.46 -0.25 0.00 -0.36 0.00 0.00 55.97 58.58 2kbi s LYS 1829Cb -0.62 -2.74 -0.09 0.00 -1.51 0.00 0.00 37.83 32.87 2kbi s LYS 1829CO 0.38 -0.74 1.09 -1.25 -0.36 0.00 0.00 175.35 174.47 2kbi s PRO 1830N -2.35 4.17 0.00 4.03 0.04 -1.26 -5.15 135.00 134.48 2kbi s PRO 1830Ca 0.59 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2kbi s PRO 1830Cb -0.44 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.44 2kbi s PRO 1830CO 0.58 -0.17 0.43 0.27 0.04 0.00 0.00 177.00 178.16 2kbi n ASN 1831N 0.11 0.57 -0.35 6.66 0.23 -1.26 -4.87 115.26 116.34 2kbi n ASN 1831Ca 0.04 -1.19 0.06 0.00 -0.53 0.00 0.00 54.58 52.97 2kbi n ASN 1831Cb 0.48 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.42 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 0.98 -0.42 -3.83 3.07 -1.95 -0.54 115.11 112.42 2kbi h GLN 1832Ca 0.00 -0.06 -0.10 0.00 0.09 0.00 0.00 58.65 58.58 2kbi h GLN 1832Cb 0.55 -0.22 -0.01 0.00 0.08 0.00 0.00 27.48 27.88 2kbi h GLN 1832CO 0.00 0.65 -0.13 0.82 0.09 0.00 0.00 178.83 180.26 2kbi h ILE 1833N 1.01 1.28 -0.45 1.86 2.04 -1.99 -1.56 117.51 119.70 2kbi h ILE 1833Ca 0.47 -1.25 0.03 0.00 1.00 0.00 0.00 64.86 65.11 2kbi h ILE 1833Cb 0.41 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 2kbi h ILE 1833CO -0.23 0.42 0.24 0.28 0.00 0.00 0.00 178.15 178.87 2kbi h SER 1834N 0.64 0.37 -0.46 1.72 0.02 -1.64 -1.75 113.55 112.46 2kbi h SER 1834Ca 0.10 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 2kbi h SER 1834Cb 0.68 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 2kbi h SER 1834CO 0.05 0.26 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.83 2kbi h LEU 1835N 0.49 0.93 -1.58 5.07 3.38 -1.10 -2.75 115.31 119.75 2kbi h LEU 1835Ca 0.19 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2kbi h LEU 1835Cb 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2kbi h LEU 1835CO -0.12 1.04 0.21 0.40 0.09 0.00 0.00 178.44 180.06 2kbi h ILE 1836N 0.83 1.11 0.00 1.22 2.04 -1.00 -2.18 117.51 119.54 2kbi h ILE 1836Ca 0.14 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2kbi h ILE 1836Cb 0.63 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2kbi h ILE 1836CO 0.04 0.12 0.00 0.59 0.00 0.00 0.00 178.15 178.90 2kbi n ASN 1837N -4.45 0.52 -4.89 1.72 3.02 -0.68 -4.83 115.26 105.67 2kbi n ASN 1837Ca 0.02 0.55 -0.29 0.00 -0.03 0.00 0.00 54.58 54.83 2kbi n ASN 1837Cb 0.09 -0.69 0.07 0.00 -0.61 0.00 0.00 39.78 38.63 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 -3.07 2.45 -0.79 3.52 -1.94 -0.82 -5.03 119.30 113.63 2kbi s MET 1838Ca 0.12 0.28 -0.00 0.00 -1.71 0.00 0.00 55.69 54.37 2kbi s MET 1838Cb 0.15 -2.00 0.36 0.00 2.01 0.00 0.00 34.83 35.34 2kbi s MET 1838CO 0.57 -1.28 1.81 -3.47 -0.01 0.00 0.00 175.02 172.64 2kbi n ASP 1839N -3.13 6.92 -4.66 3.03 2.03 -1.26 -5.00 116.55 114.48 2kbi n ASP 1839Ca 0.07 -3.79 -0.43 0.00 0.52 0.00 0.00 54.79 51.16 2kbi n ASP 1839Cb 0.59 -0.96 -0.02 0.00 -0.72 0.00 0.00 41.12 40.01 2kbi n ASP 1839CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2kbi s LEU 1840N -4.00 4.16 1.06 -2.67 1.43 -1.26 -5.02 118.68 112.37 2kbi s LEU 1840Ca 0.49 1.64 -0.17 0.00 -1.03 0.00 0.00 54.13 55.07 2kbi s LEU 1840Cb 0.39 -3.54 0.23 0.00 0.03 0.00 0.00 46.19 43.30 2kbi s LEU 1840CO -0.33 -0.78 1.21 -2.16 0.23 0.00 0.00 176.35 174.52 2kbi s PRO 1841N 3.54 -0.07 -0.12 1.29 0.04 -1.26 -5.10 135.00 133.31 2kbi s PRO 1841Ca 0.54 -0.18 -0.02 0.00 0.04 0.00 0.00 61.00 61.39 2kbi s PRO 1841Cb -0.21 -1.74 0.04 0.00 0.04 0.00 0.00 34.50 32.63 2kbi s PRO 1841CO 0.15 -2.93 0.00 -1.64 0.04 0.00 0.00 177.00 172.62 2kbi s MET 1842N -5.61 0.75 0.32 4.56 -1.94 -1.26 -4.64 119.30 111.48 2kbi s MET 1842Ca 0.71 -0.12 0.14 0.00 -1.71 0.00 0.00 55.69 54.71 2kbi s MET 1842Cb -0.08 -1.44 0.52 0.00 2.01 0.00 0.00 34.83 35.84 2kbi s MET 1842CO 0.54 -0.41 1.68 -0.39 -0.01 0.00 0.00 175.02 176.43 2kbi h VAL 1843N 6.37 1.23 0.00 -6.03 -1.51 -1.41 -3.34 116.25 111.57 2kbi h VAL 1843Ca -0.20 -1.80 0.00 0.00 -1.23 0.00 0.00 66.70 63.47 2kbi h VAL 1843Cb 1.12 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 32.29 2kbi h VAL 1843CO 0.30 0.49 0.00 -1.54 -1.23 0.00 0.00 177.57 175.60 2kbi n SER 1844N -3.75 0.38 0.00 4.19 3.41 -1.26 -5.03 113.62 111.56 2kbi n SER 1844Ca -0.01 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 2kbi n SER 1844Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 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 -0.07 0.31 0.00 5.00 0.00 -1.25 -4.86 105.19 104.32 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 1.22 0.00 0.00 0.00 173.32 174.54 2kbi n ASP 1846N 0.00 0.00 -4.34 1.61 8.00 -1.26 -5.03 116.55 115.52 2kbi n ASP 1846Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 2kbi n ASP 1846Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 2kbi n ASP 1846CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2kbi s ARG 1847N 0.00 1.30 -0.02 -1.24 0.52 -1.26 -1.74 118.95 116.51 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 -1.42 0.02 0.00 0.52 0.00 0.00 34.95 34.07 2kbi s ARG 1847CO 0.00 0.29 0.01 0.42 0.02 0.00 0.00 175.30 176.04 2kbi s ILE 1848N -1.91 0.06 0.28 1.52 1.09 -0.16 -0.88 121.20 121.20 2kbi s ILE 1848Ca 0.16 0.08 -0.29 0.00 -1.10 0.00 0.00 60.65 59.49 2kbi s ILE 1848Cb -0.06 -0.14 -0.10 0.00 -1.06 0.00 0.00 42.46 41.10 2kbi s ILE 1848CO 0.07 0.08 1.12 -2.28 -0.10 0.00 0.00 174.94 173.83 2kbi s HIS 1849N 0.64 3.53 0.17 3.97 5.65 -1.26 -2.18 115.29 125.81 2kbi s HIS 1849Ca -0.06 1.67 -0.16 0.00 0.25 0.00 0.00 55.06 56.76 2kbi s HIS 1849Cb -0.08 -3.32 0.11 0.00 -1.18 0.00 0.00 32.58 28.10 2kbi s HIS 1849CO -0.02 -0.68 1.68 0.00 -0.65 0.00 0.00 174.74 175.07 2kbi h MET 1851N 0.04 0.63 -0.23 0.00 1.85 -1.94 -1.43 114.93 113.84 2kbi h MET 1851Ca 0.20 -0.30 -0.07 0.00 -0.61 0.00 0.00 59.70 58.92 2kbi h MET 1851Cb 0.30 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.31 2kbi h MET 1851CO -0.39 0.89 -0.17 -0.44 -0.40 0.00 0.00 176.91 176.40 2kbi h ASP 1852N 0.53 0.39 -0.11 1.39 5.19 -1.91 0.23 116.42 122.13 2kbi h ASP 1852Ca 0.05 -0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.31 2kbi h ASP 1852Cb 0.86 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.26 2kbi h ASP 1852CO 0.07 0.58 -0.12 0.40 -3.12 0.00 0.00 179.24 177.05 2kbi h ILE 1853N 0.37 1.37 -0.42 0.35 2.04 -1.17 -1.34 117.51 118.70 2kbi h ILE 1853Ca 0.07 -1.31 0.07 0.00 1.00 0.00 0.00 64.86 64.69 2kbi h ILE 1853Cb 0.51 1.99 -0.06 0.00 -0.74 0.00 0.00 36.82 38.52 2kbi h ILE 1853CO 0.03 0.37 0.09 0.25 0.00 0.00 0.00 178.15 178.89 2kbi h LEU 1854N -0.14 0.02 0.14 1.44 5.85 -1.05 -0.69 115.31 120.87 2kbi h LEU 1854Ca 0.01 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.82 2kbi h LEU 1854Cb 0.65 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 2kbi h LEU 1854CO 0.03 0.04 -0.34 0.15 -0.34 0.00 0.00 178.44 177.98 2kbi h PHE 1855N 0.22 -0.94 -1.00 1.25 3.57 -0.98 -0.83 116.94 118.24 2kbi h PHE 1855Ca 0.20 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.82 2kbi h PHE 1855Cb 0.25 0.39 -0.08 0.00 2.79 0.00 0.00 35.95 39.30 2kbi h PHE 1855CO -0.20 -0.45 0.64 0.00 -2.23 0.00 0.00 178.31 176.07 2kbi h ALA 1856N 0.03 1.47 -0.17 2.41 0.00 -0.82 0.30 119.26 122.47 2kbi h ALA 1856Ca 0.03 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2kbi h ALA 1856Cb 0.60 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kbi h ALA 1856CO -0.19 0.33 -0.24 0.74 0.00 0.00 0.00 179.25 179.89 2kbi h PHE 1857N 1.08 0.58 0.00 0.00 -1.00 -0.99 -3.32 116.94 113.30 2kbi h PHE 1857Ca 0.46 -0.19 -0.11 0.00 2.81 0.00 0.00 57.97 60.94 2kbi h PHE 1857Cb 0.33 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.76 2kbi h PHE 1857CO -0.00 0.88 -0.55 1.79 -1.61 0.00 0.00 178.31 178.82 2kbi h THR 1858N 0.12 1.10 -0.94 -1.55 1.35 -0.83 -3.22 112.91 108.93 2kbi h THR 1858Ca 0.02 -2.10 0.17 0.00 -0.55 0.00 0.00 66.41 63.94 2kbi h THR 1858Cb 0.81 2.24 -0.10 0.00 -1.73 0.00 0.00 68.15 69.37 2kbi h THR 1858CO 0.06 0.54 0.54 0.50 -0.25 0.00 0.00 175.52 176.90 2kbi h LYS 1859N 0.00 0.70 0.23 4.72 3.64 -1.03 -0.09 116.57 124.73 2kbi h LYS 1859Ca -0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2kbi h LYS 1859Cb 1.19 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 2kbi h LYS 1859CO 0.07 0.46 -0.16 0.00 -2.27 0.00 0.00 179.45 177.56 2kbi h ARG 1860N 0.72 -0.37 -0.59 1.90 2.47 -1.67 -0.48 114.38 116.36 2kbi h ARG 1860Ca 0.52 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 59.28 2kbi h ARG 1860Cb 0.76 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 29.14 2kbi h ARG 1860CO -0.37 -0.25 0.39 0.28 0.56 0.00 0.00 179.97 180.58 2kbi h VAL 1861N -0.39 1.15 0.00 2.04 2.07 -1.43 -2.41 116.25 117.29 2kbi h VAL 1861Ca -0.02 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2kbi h VAL 1861Cb 0.34 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2kbi h VAL 1861CO 0.00 0.15 0.00 0.18 0.02 0.00 0.00 177.57 177.92 2kbi n LEU 1862N -4.68 0.32 -0.30 2.57 4.77 -0.14 -4.91 117.00 114.64 2kbi n LEU 1862Ca 0.04 0.57 -0.04 0.00 -0.03 0.00 0.00 56.01 56.55 2kbi n LEU 1862Cb 0.02 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.58 2kbi n LEU 1862CO 0.35 -0.34 -0.04 0.61 -1.33 0.00 0.00 177.39 176.65 2kbi n GLY 1863N 0.23 0.67 0.12 -0.72 0.00 -0.91 -4.94 105.19 99.64 2kbi n GLY 1863Ca 0.03 -0.48 0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.43 0.73 0.00 1.61 -0.58 -0.22 -5.02 120.64 114.73 2kbi n GLU 1864Ca -0.04 -0.24 0.02 0.00 -0.42 0.00 0.00 57.16 56.48 2kbi n GLU 1864Cb 0.18 -1.50 0.09 0.00 -0.57 0.00 0.00 31.44 29.65 2kbi n GLU 1864CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08