#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 -0.01 -0.58 1.61 -0.02 -1.26 -4.98 135.00 129.76 2kbi n PRO -3 Ca 0.00 0.05 0.09 0.00 -2.02 0.00 0.00 63.50 61.62 2kbi n PRO -3 Cb 0.00 -2.01 0.33 0.00 -0.02 0.00 0.00 33.50 31.80 2kbi n PRO -3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kbi n GLY -2 N 1.26 3.02 3.65 -1.23 0.00 -1.26 -5.06 105.19 105.57 2kbi n GLY -2 Ca 0.10 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 2kbi n GLY -2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kbi n SER -1 N 0.70 1.85 -4.63 1.61 7.64 -1.26 -5.00 113.62 114.53 2kbi n SER -1 Ca 0.24 1.08 -0.29 0.00 1.01 0.00 0.00 58.87 60.91 2kbi n SER -1 Cb 0.89 -1.41 0.19 0.00 -1.01 0.00 0.00 64.21 62.87 2kbi n SER -1 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2kbi s GLU 1773N -2.05 0.23 0.29 1.43 0.41 -1.26 -5.10 118.70 112.65 2kbi s GLU 1773Ca 0.62 0.70 -0.11 0.00 -0.41 0.00 0.00 54.97 55.77 2kbi s GLU 1773Cb -0.55 -1.70 0.01 0.00 -1.78 0.00 0.00 34.13 30.11 2kbi s GLU 1773CO 0.58 -2.91 0.53 1.21 -0.49 0.00 0.00 175.26 174.17 2kbi s ASN 1774N -3.16 0.18 1.27 -0.19 3.84 -1.26 -5.18 114.94 110.43 2kbi s ASN 1774Ca 0.66 -1.09 -0.17 0.00 0.21 0.00 0.00 52.86 52.47 2kbi s ASN 1774Cb -0.20 0.65 0.26 0.00 -0.55 0.00 0.00 41.25 41.40 2kbi s ASN 1774CO 0.59 -1.26 0.74 2.22 -2.79 0.00 0.00 177.10 176.60 2kbi n PHE 1775N -0.45 -3.52 -1.88 0.43 -1.74 -1.26 -4.93 117.46 104.11 2kbi n PHE 1775Ca -0.02 -0.68 -0.35 0.00 -0.56 0.00 0.00 57.45 55.84 2kbi n PHE 1775Cb 0.61 -0.89 -0.04 0.00 1.52 0.00 0.00 39.48 40.69 2kbi n PHE 1775CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2kbi s SER 1776N -3.30 4.93 0.05 5.98 0.15 -1.26 -4.85 113.70 115.40 2kbi s SER 1776Ca 0.52 0.39 0.18 0.00 0.70 0.00 0.00 55.95 57.74 2kbi s SER 1776Cb -0.07 -2.53 0.76 0.00 -1.71 0.00 0.00 66.02 62.48 2kbi s SER 1776CO 0.41 -2.66 1.57 1.33 1.20 0.00 0.00 173.24 175.09 2kbi n VAL 1777N 7.61 0.84 -1.73 4.45 0.24 -1.26 -4.87 118.33 123.61 2kbi n VAL 1777Ca 0.29 0.20 -0.34 0.00 -2.04 0.00 0.00 64.34 62.45 2kbi n VAL 1777Cb 0.52 -0.95 0.06 0.00 -1.47 0.00 0.00 33.84 31.99 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 -3.06 2.36 0.10 2.33 0.00 -1.26 -4.98 121.76 117.26 2kbi s ALA 1778Ca 0.08 0.80 -0.31 0.00 0.00 0.00 0.00 51.96 52.53 2kbi s ALA 1778Cb 0.11 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 2kbi s ALA 1778CO 0.33 -1.45 1.62 0.99 0.00 0.00 0.00 175.76 177.26 2kbi s THR 1779N -1.99 2.91 -1.04 0.00 2.01 -1.26 -4.92 115.64 111.35 2kbi s THR 1779Ca 0.73 0.48 0.16 0.00 0.31 0.00 0.00 61.69 63.36 2kbi s THR 1779Cb -0.26 -3.31 0.14 0.00 0.01 0.00 0.00 72.50 69.09 2kbi s THR 1779CO 0.40 0.01 1.50 -0.62 -0.69 0.00 0.00 174.62 175.22 2kbi n GLU 1780N 5.07 0.02 -3.94 4.92 1.02 -1.26 -4.58 120.64 121.90 2kbi n GLU 1780Ca 0.15 0.22 -0.28 0.00 -0.02 0.00 0.00 57.16 57.23 2kbi n GLU 1780Cb 0.40 -1.50 -0.17 0.00 -0.02 0.00 0.00 31.44 30.15 2kbi n GLU 1780CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2kbi s GLU 1781N -2.96 1.74 0.00 3.49 2.02 -1.26 -5.04 118.70 116.69 2kbi s GLU 1781Ca 0.08 -0.42 0.20 0.00 0.02 0.00 0.00 54.97 54.86 2kbi s GLU 1781Cb 0.10 -1.85 1.11 0.00 0.10 0.00 0.00 34.13 33.60 2kbi s GLU 1781CO 0.28 -0.30 1.60 0.43 0.02 0.00 0.00 175.26 177.29 2kbi n SER 1782N 4.87 0.00 -4.08 -0.19 7.64 -1.26 -4.93 113.62 115.67 2kbi n SER 1782Ca -0.14 -0.37 -0.42 0.00 1.01 0.00 0.00 58.87 58.96 2kbi n SER 1782Cb 0.49 -0.12 -0.00 0.00 -1.01 0.00 0.00 64.21 63.57 2kbi n SER 1782CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2kbi n THR 1783N -1.12 -2.74 -1.68 0.44 -2.24 -1.26 -4.93 114.28 100.75 2kbi n THR 1783Ca 0.13 -0.62 -0.35 0.00 -2.27 0.00 0.00 64.05 60.94 2kbi n THR 1783Cb 0.10 -2.28 0.07 0.00 -2.10 0.00 0.00 70.33 66.12 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 -7.26 2.50 0.00 -0.78 2.02 -1.26 -4.95 118.70 108.97 2kbi s GLU 1784Ca 0.38 1.84 0.27 0.00 0.02 0.00 0.00 54.97 57.48 2kbi s GLU 1784Cb -0.20 -1.87 1.39 0.00 0.10 0.00 0.00 34.13 33.55 2kbi s GLU 1784CO 0.96 -1.58 1.92 -0.35 0.02 0.00 0.00 175.26 176.23 2kbi n PRO 1785N -2.19 0.45 -4.30 0.39 -0.04 -1.26 -4.86 135.00 123.19 2kbi n PRO 1785Ca 0.14 0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.42 2kbi n PRO 1785Cb 0.50 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 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 2.39 0.00 1.53 1.43 -1.26 -5.05 118.68 115.24 2kbi s LEU 1786Ca 0.28 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 2kbi s LEU 1786Cb 0.18 -0.78 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 2kbi s LEU 1786CO 0.39 -0.03 0.38 -0.24 0.23 0.00 0.00 176.35 177.08 2kbi n SER 1787N 0.56 -1.03 -0.18 2.29 2.88 -1.26 -5.05 113.62 111.82 2kbi n SER 1787Ca -0.15 -2.99 0.10 0.00 -1.33 0.00 0.00 58.87 54.49 2kbi n SER 1787Cb 0.56 2.09 0.41 0.00 -0.75 0.00 0.00 64.21 66.52 2kbi n SER 1787CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2kbi h GLU 1788N 0.00 0.60 -0.05 -1.46 4.81 -2.02 -2.00 114.58 114.47 2kbi h GLU 1788Ca -0.25 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.91 2kbi h GLU 1788Cb 1.17 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 2kbi h GLU 1788CO 0.35 0.40 -0.13 -0.44 -0.73 0.00 0.00 179.01 178.46 2kbi h ASP 1789N 0.62 0.07 -0.04 1.04 3.32 -1.98 -1.00 116.42 118.44 2kbi h ASP 1789Ca 0.34 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.19 2kbi h ASP 1789Cb 0.51 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2kbi h ASP 1789CO -0.12 0.21 -0.66 0.44 -1.72 0.00 0.00 179.24 177.38 2kbi h ASP 1790N 0.07 0.77 -0.42 6.45 3.32 -1.77 -1.09 116.42 123.74 2kbi h ASP 1790Ca 0.02 -0.46 -0.09 0.00 0.02 0.00 0.00 57.03 56.51 2kbi h ASP 1790Cb 0.27 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2kbi h ASP 1790CO 0.02 1.23 -0.10 -0.26 -1.72 0.00 0.00 179.24 178.40 2kbi h PHE 1791N 0.48 0.91 -0.67 4.55 0.04 -1.46 -1.15 116.94 119.65 2kbi h PHE 1791Ca -0.02 -0.20 0.02 0.00 2.80 0.00 0.00 57.97 60.58 2kbi h PHE 1791Cb 1.25 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 39.14 2kbi h PHE 1791CO 0.06 0.93 0.42 0.22 -0.60 0.00 0.00 178.31 179.34 2kbi h ASP 1792N 0.63 0.70 -0.27 2.17 3.58 -1.18 -1.38 116.42 120.67 2kbi h ASP 1792Ca 0.11 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.57 2kbi h ASP 1792Cb 0.63 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 2kbi h ASP 1792CO 0.04 0.49 0.12 -0.03 -2.88 0.00 0.00 179.24 176.99 2kbi h MET 1793N 0.84 0.25 -0.14 0.28 4.05 -1.10 -0.85 114.93 118.27 2kbi h MET 1793Ca 0.26 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.71 2kbi h MET 1793Cb -0.02 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 30.68 2kbi h MET 1793CO -0.09 0.17 -0.15 0.35 0.23 0.00 0.00 176.91 177.41 2kbi h PHE 1794N 0.26 -0.39 -0.44 1.39 3.04 -0.87 -2.44 116.94 117.50 2kbi h PHE 1794Ca 0.12 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.03 2kbi h PHE 1794Cb 0.05 0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.74 2kbi h PHE 1794CO -0.11 -0.22 0.05 1.88 -2.02 0.00 0.00 178.31 177.89 2kbi h TYR 1795N -0.19 0.70 -0.52 0.41 0.05 -1.11 0.06 116.97 116.39 2kbi h TYR 1795Ca 0.10 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2kbi h TYR 1795Cb 0.33 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 2kbi h TYR 1795CO -0.27 0.64 0.33 1.49 -1.05 0.00 0.00 178.16 179.30 2kbi h GLU 1796N 0.65 0.69 -0.10 4.88 4.81 -0.92 -2.90 114.58 121.69 2kbi h GLU 1796Ca 0.14 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.13 2kbi h GLU 1796Cb 0.33 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 2kbi h GLU 1796CO 0.01 0.47 -0.72 0.82 -0.73 0.00 0.00 179.01 178.85 2kbi h ILE 1797N 0.70 1.36 -0.44 2.32 1.08 -1.24 -3.34 117.51 117.94 2kbi h ILE 1797Ca 0.19 -2.09 0.08 0.00 -0.39 0.00 0.00 64.86 62.65 2kbi h ILE 1797Cb -0.06 2.07 -0.07 0.00 -3.07 0.00 0.00 36.82 35.69 2kbi h ILE 1797CO -0.04 0.63 0.04 -0.25 -0.69 0.00 0.00 178.15 177.84 2kbi h TRP 1798N 0.33 0.05 0.00 1.37 2.91 -0.79 -2.52 115.95 117.29 2kbi h TRP 1798Ca -0.03 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2kbi h TRP 1798Cb 1.31 0.05 0.00 0.00 -0.51 0.00 0.00 29.16 30.00 2kbi h TRP 1798CO 0.05 -0.05 0.00 0.39 -1.03 0.00 0.00 178.44 177.80 2kbi n GLU 1799N -5.16 0.17 0.19 2.65 1.02 -1.11 -1.27 120.64 117.12 2kbi n GLU 1799Ca 0.04 0.56 0.04 0.00 -0.02 0.00 0.00 57.16 57.78 2kbi n GLU 1799Cb 0.22 -1.95 0.36 0.00 -0.02 0.00 0.00 31.44 30.05 2kbi n GLU 1799CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2kbi h LYS 1800N 0.00 0.00 0.00 3.49 1.57 -1.64 -3.03 116.57 116.96 2kbi h LYS 1800Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2kbi h LYS 1800Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2kbi h LYS 1800CO 0.00 0.39 -1.84 1.19 -0.57 0.00 0.00 179.45 178.61 2kbi n PHE 1801N -3.79 0.00 -3.61 -1.35 3.01 -0.44 -4.71 117.46 106.57 2kbi n PHE 1801Ca -0.01 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.18 2kbi n PHE 1801Cb 0.46 -0.45 -0.10 0.00 -0.01 0.00 0.00 39.48 39.38 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 -2.17 2.93 0.19 4.37 2.03 -0.40 -4.93 116.55 118.57 2kbi n ASP 1802Ca -0.06 -3.23 0.14 0.00 0.52 0.00 0.00 54.79 52.16 2kbi n ASP 1802Cb 0.53 -0.70 0.55 0.00 -0.72 0.00 0.00 41.12 40.78 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 4.77 0.00 0.00 -0.67 0.13 -1.81 -2.72 132.00 131.70 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 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2kbi h PRO 1803CO 0.73 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.89 2kbi n GLU 1804N -2.58 0.17 -1.89 0.86 -0.58 -1.26 -4.94 120.64 110.42 2kbi n GLU 1804Ca 0.02 0.18 -0.13 0.00 -0.42 0.00 0.00 57.16 56.81 2kbi n GLU 1804Cb 0.28 -1.71 -0.03 0.00 -0.57 0.00 0.00 31.44 29.41 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 -1.69 -0.48 0.50 0.62 0.00 -1.03 -4.88 120.51 113.56 2kbi n ALA 1805Ca 0.05 0.16 0.07 0.00 0.00 0.00 0.00 53.44 53.72 2kbi n ALA 1805Cb 0.37 -1.46 0.30 0.00 0.00 0.00 0.00 19.45 18.66 2kbi n ALA 1805CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kbi n THR 1806N -2.63 0.99 -2.16 0.00 5.66 -1.26 -4.89 114.28 109.99 2kbi n THR 1806Ca -0.14 0.25 -0.16 0.00 -3.05 0.00 0.00 64.05 60.94 2kbi n THR 1806Cb 0.52 -1.01 -0.02 0.00 -1.55 0.00 0.00 70.33 68.27 2kbi n THR 1806CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kbi n GLN 1807N -1.47 -1.28 -4.17 1.09 6.02 -1.26 -5.02 117.38 111.30 2kbi n GLN 1807Ca 0.04 0.84 -0.16 0.00 -0.01 0.00 0.00 57.00 57.72 2kbi n GLN 1807Cb 0.15 -5.22 -0.13 0.00 1.02 0.00 0.00 30.24 26.07 2kbi n GLN 1807CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2kbi s PHE 1808N -2.78 0.70 0.15 1.08 0.08 -1.26 -0.96 117.98 114.99 2kbi s PHE 1808Ca 0.00 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.77 2kbi s PHE 1808Cb 0.00 -0.43 -0.04 0.00 -0.57 0.00 0.00 43.02 41.98 2kbi s PHE 1808CO 0.00 -0.03 -0.03 0.96 -0.10 0.00 0.00 175.22 176.02 2kbi s ILE 1809N -0.76 0.73 0.45 0.64 -4.36 -0.98 -4.82 121.20 112.10 2kbi s ILE 1809Ca -0.03 -1.98 -0.20 0.00 -0.26 0.00 0.00 60.65 58.19 2kbi s ILE 1809Cb -0.06 -1.96 -0.10 0.00 1.25 0.00 0.00 42.46 41.59 2kbi s ILE 1809CO 0.00 -0.62 0.96 -1.61 0.24 0.00 0.00 174.94 173.91 2kbi s GLU 1810N -3.87 4.15 0.43 0.37 2.02 -1.26 -1.02 118.70 119.52 2kbi s GLU 1810Ca 0.19 1.07 0.10 0.00 0.02 0.00 0.00 54.97 56.36 2kbi s GLU 1810Cb 0.05 -2.17 0.95 0.00 0.10 0.00 0.00 34.13 33.07 2kbi s GLU 1810CO 0.01 -0.10 2.06 -0.92 0.02 0.00 0.00 175.26 176.33 2kbi h TYR 1811N 1.64 0.33 0.00 1.61 3.20 -1.66 -1.63 116.97 120.46 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 1.18 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.34 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 0.35 0.00 0.00 -2.11 4.64 -1.94 -2.94 113.55 111.55 2kbi h SER 1812Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2kbi h SER 1812Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2kbi h SER 1812CO -0.01 0.00 -0.57 1.33 -0.87 0.00 0.00 176.83 176.70 2kbi n VAL 1813N -2.40 0.00 -0.32 0.95 0.24 -0.85 -4.70 118.33 111.25 2kbi n VAL 1813Ca -0.01 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 2kbi n VAL 1813Cb 0.11 0.74 0.14 0.00 -1.47 0.00 0.00 33.84 33.35 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 0.89 -1.72 1.34 6.46 -1.13 -0.18 115.31 120.97 2kbi h LEU 1814Ca 0.00 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.73 2kbi h LEU 1814Cb 0.07 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 2kbi h LEU 1814CO 0.00 0.58 -0.18 0.77 -0.62 0.00 0.00 178.44 179.00 2kbi h SER 1815N 1.03 0.00 0.48 1.25 4.64 -1.84 0.52 113.55 119.63 2kbi h SER 1815Ca 0.37 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.39 2kbi h SER 1815Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2kbi h SER 1815CO -0.16 0.18 -1.50 -0.78 -0.87 0.00 0.00 176.83 173.70 2kbi h ASP 1816N 0.00 0.37 -0.47 4.97 3.58 -1.68 -3.27 116.42 119.93 2kbi h ASP 1816Ca -0.00 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2kbi h ASP 1816Cb 0.37 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 2kbi h ASP 1816CO 0.02 1.42 0.30 0.15 -2.88 0.00 0.00 179.24 178.25 2kbi h PHE 1817N 0.06 0.60 -0.38 0.28 3.57 -0.78 -1.39 116.94 118.90 2kbi h PHE 1817Ca -0.23 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.39 2kbi h PHE 1817Cb 2.00 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.53 2kbi h PHE 1817CO 0.06 0.39 0.30 0.00 -2.23 0.00 0.00 178.31 176.83 2kbi h ALA 1818N 1.16 2.27 -0.01 2.41 0.00 -1.02 -1.00 119.26 123.07 2kbi h ALA 1818Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2kbi h ALA 1818Cb -0.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kbi h ALA 1818CO -0.04 -0.50 -0.47 -3.47 0.00 0.00 0.00 179.25 174.78 2kbi n ASP 1819N -4.24 1.68 0.10 0.00 2.03 -1.00 -1.15 116.55 113.97 2kbi n ASP 1819Ca 0.06 -1.30 0.09 0.00 0.52 0.00 0.00 54.79 54.16 2kbi n ASP 1819Cb 0.48 0.44 0.00 0.00 -0.72 0.00 0.00 41.12 41.32 2kbi n ASP 1819CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kbi h ALA 1820N 3.75 0.58 -2.31 -1.67 0.00 -0.06 -3.48 119.26 116.08 2kbi h ALA 1820Ca 0.00 -0.17 -0.51 0.00 0.00 0.00 0.00 54.91 54.23 2kbi h ALA 1820Cb 0.67 0.05 0.15 0.00 0.00 0.00 0.00 17.79 18.66 2kbi h ALA 1820CO 0.00 0.19 0.29 -0.51 0.00 0.00 0.00 179.25 179.22 2kbi s LEU 1821N -5.56 2.85 0.47 0.00 1.43 -1.18 -5.03 118.68 111.66 2kbi s LEU 1821Ca -0.00 1.82 -0.03 0.00 -1.03 0.00 0.00 54.13 54.90 2kbi s LEU 1821Cb 0.09 -4.42 -0.01 0.00 0.03 0.00 0.00 46.19 41.87 2kbi s LEU 1821CO 0.78 -2.33 0.73 -0.55 0.23 0.00 0.00 176.35 175.22 2kbi s SER 1822N -3.27 5.97 0.70 2.29 0.15 -1.26 -4.65 113.70 113.63 2kbi s SER 1822Ca 0.62 0.59 -0.16 0.00 0.70 0.00 0.00 55.95 57.70 2kbi s SER 1822Cb -0.18 -1.85 0.02 0.00 -1.71 0.00 0.00 66.02 62.29 2kbi s SER 1822CO 0.57 -0.68 1.25 -1.61 1.20 0.00 0.00 173.24 173.96 2kbi s GLU 1823N -4.67 2.29 0.06 5.44 2.02 -1.26 -2.17 118.70 120.42 2kbi s GLU 1823Ca 0.48 1.90 0.26 0.00 0.02 0.00 0.00 54.97 57.64 2kbi s GLU 1823Cb -0.10 -1.83 0.79 0.00 0.10 0.00 0.00 34.13 33.08 2kbi s GLU 1823CO 0.41 -1.75 1.64 -0.35 0.02 0.00 0.00 175.26 175.23 2kbi n PRO 1824N -2.37 0.10 0.15 0.39 -0.04 -1.26 -4.84 135.00 127.13 2kbi n PRO 1824Ca 0.15 0.05 0.04 0.00 -0.04 0.00 0.00 63.50 63.70 2kbi n PRO 1824Cb 0.49 -1.59 0.45 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.00 0.17 -9.12 1.53 3.38 -1.85 -3.44 115.31 105.98 2kbi h LEU 1825Ca 0.00 -0.03 -0.74 0.00 0.09 0.00 0.00 57.88 57.21 2kbi h LEU 1825Cb 0.59 -0.04 0.06 0.00 0.09 0.00 0.00 40.66 41.35 2kbi h LEU 1825CO 0.00 0.28 0.20 -1.14 0.09 0.00 0.00 178.44 177.87 2kbi n ARG 1826N -4.34 0.49 -3.84 1.13 3.00 -0.92 -4.94 116.66 107.24 2kbi n ARG 1826Ca -0.01 0.18 -0.32 0.00 -0.00 0.00 0.00 57.85 57.69 2kbi n ARG 1826Cb 0.22 -1.71 -0.12 0.00 0.00 0.00 0.00 32.46 30.85 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 0.14 3.16 0.55 5.15 1.09 -0.30 -4.90 121.20 126.08 2kbi s ILE 1827Ca 0.87 -3.39 -0.21 0.00 -1.10 0.00 0.00 60.65 56.81 2kbi s ILE 1827Cb -1.12 -3.10 -0.05 0.00 -1.06 0.00 0.00 42.46 37.14 2kbi s ILE 1827CO 0.53 -0.88 1.29 0.00 -0.10 0.00 0.00 174.94 175.78 2kbi s ALA 1828N -0.48 2.75 0.61 9.38 0.00 -1.26 -3.89 121.76 128.87 2kbi s ALA 1828Ca 0.19 1.18 -0.18 0.00 0.00 0.00 0.00 51.96 53.15 2kbi s ALA 1828Cb -0.20 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 2kbi s ALA 1828CO -0.04 -1.22 1.20 0.15 0.00 0.00 0.00 175.76 175.84 2kbi s LYS 1829N -3.00 2.89 0.13 0.00 1.02 -1.26 -3.99 119.74 115.53 2kbi s LYS 1829Ca 0.72 1.78 -0.31 0.00 0.02 0.00 0.00 55.97 58.19 2kbi s LYS 1829Cb -0.36 -1.92 -0.08 0.00 -0.52 0.00 0.00 37.83 34.95 2kbi s LYS 1829CO 0.42 -1.26 1.28 -1.25 -0.92 0.00 0.00 175.35 173.62 2kbi s PRO 1830N -3.44 4.40 0.00 -1.68 0.04 -1.26 -5.14 135.00 127.93 2kbi s PRO 1830Ca 0.76 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.75 2kbi s PRO 1830Cb -0.29 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 30.99 2kbi s PRO 1830CO 0.35 -0.28 0.42 0.27 0.04 0.00 0.00 177.00 177.79 2kbi n ASN 1831N 3.36 0.83 -0.35 6.66 0.23 -1.26 -4.81 115.26 119.92 2kbi n ASN 1831Ca 0.08 -1.03 0.03 0.00 -0.53 0.00 0.00 54.58 53.13 2kbi n ASN 1831Cb 0.44 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.31 2kbi n ASN 1831CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 2kbi h GLN 1832N 0.00 1.05 -0.23 -3.83 3.07 -1.94 -0.29 115.11 112.94 2kbi h GLN 1832Ca 0.00 -0.06 -0.10 0.00 0.09 0.00 0.00 58.65 58.57 2kbi h GLN 1832Cb 0.12 -0.24 -0.00 0.00 0.08 0.00 0.00 27.48 27.44 2kbi h GLN 1832CO 0.00 0.70 -0.26 0.82 0.09 0.00 0.00 178.83 180.18 2kbi h ILE 1833N 1.08 1.32 -0.49 1.86 1.08 -1.99 -1.39 117.51 118.98 2kbi h ILE 1833Ca 0.43 -1.43 0.08 0.00 -0.39 0.00 0.00 64.86 63.54 2kbi h ILE 1833Cb 0.22 1.72 -0.06 0.00 -3.07 0.00 0.00 36.82 35.63 2kbi h ILE 1833CO -0.19 0.45 0.13 0.28 -0.69 0.00 0.00 178.15 178.13 2kbi h SER 1834N 0.28 0.08 -0.02 1.72 0.02 -1.73 -1.88 113.55 112.02 2kbi h SER 1834Ca 0.03 0.07 -0.19 0.00 -0.84 0.00 0.00 61.79 60.87 2kbi h SER 1834Cb 0.82 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 2kbi h SER 1834CO 0.06 0.07 -0.66 -0.07 -1.14 0.00 0.00 176.83 175.10 2kbi h LEU 1835N 0.29 0.74 -1.27 5.07 3.38 -1.06 -3.05 115.31 119.42 2kbi h LEU 1835Ca 0.24 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.83 2kbi h LEU 1835Cb 0.30 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2kbi h LEU 1835CO -0.28 1.20 0.52 0.40 0.09 0.00 0.00 178.44 180.37 2kbi h ILE 1836N 0.47 1.06 0.00 1.22 2.04 -1.03 -2.35 117.51 118.92 2kbi h ILE 1836Ca -0.02 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2kbi h ILE 1836Cb 1.24 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2kbi h ILE 1836CO 0.13 0.16 0.00 0.59 0.00 0.00 0.00 178.15 179.03 2kbi n ASN 1837N -4.47 0.24 -4.83 1.72 3.02 -0.73 -4.84 115.26 105.37 2kbi n ASN 1837Ca 0.11 0.54 -0.30 0.00 -0.03 0.00 0.00 54.58 54.90 2kbi n ASN 1837Cb 0.19 -0.60 0.08 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 -3.06 2.17 -0.00 3.52 -1.94 -0.89 -4.98 119.30 114.12 2kbi s MET 1838Ca 0.10 0.54 0.04 0.00 -1.71 0.00 0.00 55.69 54.66 2kbi s MET 1838Cb 0.14 -1.94 0.12 0.00 2.01 0.00 0.00 34.83 35.16 2kbi s MET 1838CO 0.46 -1.54 1.07 -3.47 -0.01 0.00 0.00 175.02 171.53 2kbi n ASP 1839N -3.36 0.81 -4.69 3.03 2.03 -1.26 -4.98 116.55 108.12 2kbi n ASP 1839Ca 0.07 -2.01 -0.55 0.00 0.52 0.00 0.00 54.79 52.82 2kbi n ASP 1839Cb 0.57 -0.12 -0.06 0.00 -0.72 0.00 0.00 41.12 40.78 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 -0.09 2.59 -4.77 -2.67 4.77 -1.26 -5.00 117.00 110.57 2kbi n LEU 1840Ca 0.05 1.06 -0.30 0.00 -0.03 0.00 0.00 56.01 56.78 2kbi n LEU 1840Cb 0.14 -1.21 0.21 0.00 -2.33 0.00 0.00 43.42 40.23 2kbi n LEU 1840CO 0.03 -0.40 0.75 -2.16 -1.33 0.00 0.00 177.39 174.29 2kbi s PRO 1841N 3.30 -0.25 -0.26 3.23 0.04 -1.26 -5.09 135.00 134.70 2kbi s PRO 1841Ca 0.95 -0.23 -0.02 0.00 0.04 0.00 0.00 61.00 61.73 2kbi s PRO 1841Cb -0.96 -1.73 0.08 0.00 0.04 0.00 0.00 34.50 31.94 2kbi s PRO 1841CO 0.60 -3.04 0.08 -1.64 0.04 0.00 0.00 177.00 173.04 2kbi s MET 1842N -5.65 0.54 0.43 4.56 -1.94 -1.26 -4.61 119.30 111.37 2kbi s MET 1842Ca 0.72 -0.68 0.23 0.00 -1.71 0.00 0.00 55.69 54.25 2kbi s MET 1842Cb -0.07 -1.82 0.91 0.00 2.01 0.00 0.00 34.83 35.86 2kbi s MET 1842CO 0.54 -0.86 1.83 -0.39 -0.01 0.00 0.00 175.02 176.13 2kbi h VAL 1843N 6.48 0.66 0.00 -6.03 -1.51 -1.30 -3.29 116.25 111.25 2kbi h VAL 1843Ca -0.16 -1.16 0.00 0.00 -1.23 0.00 0.00 66.70 64.15 2kbi h VAL 1843Cb 1.05 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.97 2kbi h VAL 1843CO 0.41 0.25 0.00 -1.20 -1.23 0.00 0.00 177.57 175.80 2kbi n SER 1844N -3.47 0.72 0.00 4.19 7.64 -1.26 -5.01 113.62 116.43 2kbi n SER 1844Ca -0.00 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.64 2kbi n SER 1844Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.12 1.42 0.00 0.23 0.00 -1.24 -4.76 105.19 100.72 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 -4.26 1.61 5.68 -1.26 -5.05 116.55 113.27 2kbi n ASP 1846Ca 0.00 -0.74 -0.20 0.00 -0.50 0.00 0.00 54.79 53.34 2kbi n ASP 1846Cb 0.00 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 2kbi n ASP 1846CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2kbi s ARG 1847N 0.00 1.08 -0.01 0.11 0.52 -1.26 -1.57 118.95 117.82 2kbi s ARG 1847Ca 0.00 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 53.99 2kbi s ARG 1847Cb 0.00 -1.12 0.01 0.00 0.52 0.00 0.00 34.95 34.36 2kbi s ARG 1847CO 0.00 0.23 -0.00 0.42 0.02 0.00 0.00 175.30 175.97 2kbi s ILE 1848N -1.76 0.09 0.22 1.52 1.09 -0.19 -0.69 121.20 121.48 2kbi s ILE 1848Ca 0.08 0.02 -0.30 0.00 -1.10 0.00 0.00 60.65 59.36 2kbi s ILE 1848Cb -0.07 -0.13 -0.08 0.00 -1.06 0.00 0.00 42.46 41.11 2kbi s ILE 1848CO 0.04 0.07 1.07 -2.28 -0.10 0.00 0.00 174.94 173.74 2kbi s HIS 1849N 0.39 3.65 0.15 3.97 5.65 -1.26 -2.33 115.29 125.50 2kbi s HIS 1849Ca -0.03 1.68 -0.25 0.00 0.25 0.00 0.00 55.06 56.70 2kbi s HIS 1849Cb -0.06 -3.23 0.01 0.00 -1.18 0.00 0.00 32.58 28.12 2kbi s HIS 1849CO -0.01 -0.42 1.59 0.00 -0.65 0.00 0.00 174.74 175.25 2kbi h MET 1851N -0.33 0.72 -0.33 0.00 1.85 -1.95 -0.82 114.93 114.07 2kbi h MET 1851Ca 0.14 -0.17 -0.12 0.00 -0.61 0.00 0.00 59.70 58.93 2kbi h MET 1851Cb 0.57 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.49 2kbi h MET 1851CO -0.50 0.71 -0.30 -0.44 -0.40 0.00 0.00 176.91 175.98 2kbi h ASP 1852N 0.68 0.71 -0.16 1.39 5.19 -1.90 -0.02 116.42 122.31 2kbi h ASP 1852Ca 0.14 -0.28 -0.02 0.00 -0.62 0.00 0.00 57.03 56.25 2kbi h ASP 1852Cb 0.38 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 2kbi h ASP 1852CO 0.01 0.97 0.04 0.40 -3.12 0.00 0.00 179.24 177.54 2kbi h ILE 1853N 0.59 1.21 -0.13 0.35 2.04 -1.07 -1.36 117.51 119.14 2kbi h ILE 1853Ca 0.07 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.31 2kbi h ILE 1853Cb 0.81 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 2kbi h ILE 1853CO 0.07 0.20 -0.12 0.25 0.00 0.00 0.00 178.15 178.55 2kbi h LEU 1854N 0.07 -0.36 -0.80 1.44 5.85 -1.04 -0.52 115.31 119.93 2kbi h LEU 1854Ca 0.05 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2kbi h LEU 1854Cb 0.27 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 2kbi h LEU 1854CO 0.00 -0.15 0.49 0.15 -0.34 0.00 0.00 178.44 178.59 2kbi h PHE 1855N -0.14 0.91 -0.36 1.25 3.57 -0.94 0.51 116.94 121.74 2kbi h PHE 1855Ca 0.09 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 2kbi h PHE 1855Cb 0.26 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2kbi h PHE 1855CO -0.24 0.47 0.11 0.00 -2.23 0.00 0.00 178.31 176.42 2kbi h ALA 1856N 1.38 0.47 -0.17 2.41 0.00 -1.00 -2.32 119.26 120.02 2kbi h ALA 1856Ca 0.35 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 2kbi h ALA 1856Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2kbi h ALA 1856CO -0.17 0.11 -0.51 0.74 0.00 0.00 0.00 179.25 179.42 2kbi h PHE 1857N 0.43 0.59 -0.40 0.00 -1.00 -0.53 -1.91 116.94 114.12 2kbi h PHE 1857Ca 0.11 -0.20 -0.13 0.00 2.81 0.00 0.00 57.97 60.57 2kbi h PHE 1857Cb 0.26 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 2kbi h PHE 1857CO 0.01 0.89 -0.26 1.79 -1.61 0.00 0.00 178.31 179.13 2kbi h THR 1858N 0.38 1.27 -0.91 -1.55 1.35 -0.97 -2.83 112.91 109.65 2kbi h THR 1858Ca 0.01 -1.40 0.06 0.00 -0.55 0.00 0.00 66.41 64.54 2kbi h THR 1858Cb 1.03 1.24 -0.06 0.00 -1.73 0.00 0.00 68.15 68.62 2kbi h THR 1858CO 0.09 0.47 0.59 0.11 -0.25 0.00 0.00 175.52 176.54 2kbi h LYS 1859N 0.72 1.01 0.00 4.72 1.57 -1.25 -0.15 116.57 123.20 2kbi h LYS 1859Ca 0.09 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2kbi h LYS 1859Cb 0.80 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2kbi h LYS 1859CO 0.07 0.67 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.49 2kbi h ARG 1860N 1.04 0.00 0.10 3.15 1.12 -1.16 -1.21 114.38 117.42 2kbi h ARG 1860Ca 0.39 0.00 -0.26 0.00 -1.11 0.00 0.00 59.98 59.00 2kbi h ARG 1860Cb 0.20 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.15 2kbi h ARG 1860CO -0.15 0.04 -1.33 0.28 -3.11 0.00 0.00 179.97 175.70 2kbi h VAL 1861N 0.00 1.06 0.00 0.20 2.07 -0.96 -3.37 116.25 115.25 2kbi h VAL 1861Ca -0.00 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.14 2kbi h VAL 1861Cb 0.13 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2kbi h VAL 1861CO 0.00 0.67 0.00 -0.07 0.02 0.00 0.00 177.57 178.20 2kbi h LEU 1862N -0.38 0.00 0.00 2.57 3.38 -0.86 -3.47 115.31 116.55 2kbi h LEU 1862Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2kbi h LEU 1862Cb 1.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.44 2kbi h LEU 1862CO 0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.18 2kbi n GLY 1863N -0.54 0.76 0.12 0.83 0.00 -0.56 -4.98 105.19 100.82 2kbi n GLY 1863Ca 0.00 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.44 1.15 0.00 1.61 1.02 -0.60 -5.02 120.64 116.36 2kbi n GLU 1864Ca 0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 2kbi n GLU 1864Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2kbi n GLU 1864CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74