#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 -2.65 0.17 1.61 -0.02 -1.26 -4.83 135.00 128.03 2kbi n PRO -3 Ca 0.00 -0.77 0.12 0.00 -2.02 0.00 0.00 63.50 60.83 2kbi n PRO -3 Cb 0.00 -1.83 0.63 0.00 -0.02 0.00 0.00 33.50 32.28 2kbi n PRO -3 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2kbi h GLY -2 N -2.68 0.00 1.97 -1.23 0.00 -2.12 -1.83 103.07 97.19 2kbi h GLY -2 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2kbi h GLY -2 CO 0.36 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.76 2kbi n SER -1 N -2.31 0.00 0.02 0.19 3.41 -1.26 -3.07 113.62 110.60 2kbi n SER -1 Ca -0.01 0.48 0.08 0.00 -0.26 0.00 0.00 58.87 59.15 2kbi n SER -1 Cb 0.04 -0.49 0.50 0.00 -0.26 0.00 0.00 64.21 64.00 2kbi n SER -1 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2kbi h GLU 1773N 0.00 0.38 -6.31 4.33 4.57 -1.65 -3.43 114.58 112.47 2kbi h GLU 1773Ca 0.00 -0.02 -0.54 0.00 -1.18 0.00 0.00 59.36 57.62 2kbi h GLU 1773Cb 0.15 -0.09 0.02 0.00 -0.16 0.00 0.00 28.75 28.68 2kbi h GLU 1773CO 0.00 0.25 1.27 -0.80 -1.18 0.00 0.00 179.01 178.56 2kbi s ASN 1774N -6.60 6.31 0.00 1.04 -0.87 -1.17 -4.90 114.94 108.75 2kbi s ASN 1774Ca -0.07 2.59 0.17 0.00 -1.57 0.00 0.00 52.86 53.97 2kbi s ASN 1774Cb 0.18 -2.53 0.97 0.00 -0.02 0.00 0.00 41.25 39.85 2kbi s ASN 1774CO 0.73 -1.18 1.46 2.22 -2.57 0.00 0.00 177.10 177.76 2kbi n PHE 1775N 8.11 0.00 0.00 2.20 1.16 -1.26 -4.41 117.46 123.25 2kbi n PHE 1775Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.79 2kbi n PHE 1775Cb 0.42 -0.11 0.00 0.00 -1.61 0.00 0.00 39.48 38.17 2kbi n PHE 1775CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 2kbi n SER 1776N -1.11 0.00 0.09 5.98 7.64 -1.26 -2.96 113.62 122.01 2kbi n SER 1776Ca 0.11 0.43 0.06 0.00 1.01 0.00 0.00 58.87 60.49 2kbi n SER 1776Cb 0.09 -0.43 0.34 0.00 -1.01 0.00 0.00 64.21 63.20 2kbi n SER 1776CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2kbi n VAL 1777N -1.43 1.44 0.72 0.44 0.24 -1.26 -2.17 118.33 116.30 2kbi n VAL 1777Ca 0.00 0.64 0.08 0.00 -2.04 0.00 0.00 64.34 63.02 2kbi n VAL 1777Cb 0.01 -1.64 0.39 0.00 -1.47 0.00 0.00 33.84 31.13 2kbi n VAL 1777CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kbi n ALA 1778N -1.66 1.85 -2.67 2.33 0.00 -1.15 -4.89 120.51 114.32 2kbi n ALA 1778Ca -0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 2kbi n ALA 1778Cb 0.02 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.13 2kbi n ALA 1778CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kbi s THR 1779N -2.65 1.02 -0.02 0.00 -4.23 -0.92 -5.17 115.64 103.67 2kbi s THR 1779Ca 0.14 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 2kbi s THR 1779Cb 0.11 -2.28 -0.01 0.00 1.34 0.00 0.00 72.50 71.66 2kbi s THR 1779CO 0.25 0.00 -0.11 -0.70 -0.54 0.00 0.00 174.62 173.52 2kbi s GLU 1780N -3.81 1.02 0.19 3.99 2.12 -1.26 -5.06 118.70 115.89 2kbi s GLU 1780Ca 0.14 -0.40 0.25 0.00 0.36 0.00 0.00 54.97 55.31 2kbi s GLU 1780Cb 0.02 -0.97 0.90 0.00 0.26 0.00 0.00 34.13 34.35 2kbi s GLU 1780CO 0.08 0.22 1.75 -1.91 -0.54 0.00 0.00 175.26 174.85 2kbi n GLU 1781N 2.95 0.19 0.00 4.30 2.13 -1.26 -4.92 120.64 124.03 2kbi n GLU 1781Ca -0.15 0.27 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2kbi n GLU 1781Cb 0.55 -1.78 0.00 0.00 0.27 0.00 0.00 31.44 30.49 2kbi n GLU 1781CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2kbi n SER 1782N -2.12 0.00 -3.84 4.31 2.88 -1.26 -4.56 113.62 109.03 2kbi n SER 1782Ca 0.04 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.24 2kbi n SER 1782Cb 0.33 -0.87 0.02 0.00 -0.75 0.00 0.00 64.21 62.94 2kbi n SER 1782CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2kbi n THR 1783N -1.69 -4.53 -1.90 2.46 -1.04 -1.26 -5.00 114.28 101.31 2kbi n THR 1783Ca 0.00 -0.79 -0.34 0.00 -2.04 0.00 0.00 64.05 60.88 2kbi n THR 1783Cb 0.00 -3.49 0.04 0.00 -1.82 0.00 0.00 70.33 65.05 2kbi n THR 1783CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2kbi s GLU 1784N -6.47 2.94 0.50 -2.82 2.02 -1.26 -4.98 118.70 108.62 2kbi s GLU 1784Ca 0.40 1.50 0.29 0.00 0.02 0.00 0.00 54.97 57.17 2kbi s GLU 1784Cb -0.17 -1.96 0.90 0.00 0.10 0.00 0.00 34.13 33.00 2kbi s GLU 1784CO 0.90 -1.16 1.81 -1.00 0.02 0.00 0.00 175.26 175.83 2kbi h PRO 1785N 0.41 0.00 -4.78 0.39 0.13 -1.95 -3.45 132.00 122.74 2kbi h PRO 1785Ca -0.48 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.35 2kbi h PRO 1785Cb 1.26 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.19 2kbi h PRO 1785CO 0.55 0.02 -0.73 -0.51 -0.23 0.00 0.00 178.00 177.09 2kbi s LEU 1786N -6.22 2.33 0.32 1.56 1.43 -1.26 -4.69 118.68 112.14 2kbi s LEU 1786Ca 0.04 -0.68 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 2kbi s LEU 1786Cb 0.07 -0.23 -0.02 0.00 0.03 0.00 0.00 46.19 46.04 2kbi s LEU 1786CO 0.60 -0.24 0.34 -0.55 0.23 0.00 0.00 176.35 176.74 2kbi s SER 1787N -2.01 1.14 0.40 2.29 0.15 -1.26 -5.05 113.70 109.36 2kbi s SER 1787Ca -0.02 -1.58 0.11 0.00 0.70 0.00 0.00 55.95 55.16 2kbi s SER 1787Cb -0.06 0.58 0.92 0.00 -1.71 0.00 0.00 66.02 65.75 2kbi s SER 1787CO -0.00 -1.13 1.93 -0.08 1.20 0.00 0.00 173.24 175.17 2kbi h GLU 1788N 2.19 0.54 -0.09 5.44 4.81 -2.02 -2.06 114.58 123.39 2kbi h GLU 1788Ca -0.28 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 2kbi h GLU 1788Cb 1.24 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2kbi h GLU 1788CO 0.39 0.36 -0.07 0.22 -0.73 0.00 0.00 179.01 179.18 2kbi h ASP 1789N 0.55 0.12 -0.03 1.04 3.58 -1.99 -2.41 116.42 117.28 2kbi h ASP 1789Ca 0.35 -0.01 -0.16 0.00 0.42 0.00 0.00 57.03 57.62 2kbi h ASP 1789Cb 0.61 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 2kbi h ASP 1789CO -0.12 0.21 -0.54 0.44 -2.88 0.00 0.00 179.24 176.35 2kbi h ASP 1790N 0.13 0.68 -0.41 2.28 3.32 -1.78 -0.81 116.42 119.82 2kbi h ASP 1790Ca 0.03 -0.36 -0.14 0.00 0.02 0.00 0.00 57.03 56.59 2kbi h ASP 1790Cb 0.21 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2kbi h ASP 1790CO 0.01 1.08 -0.27 -0.26 -1.72 0.00 0.00 179.24 178.08 2kbi h PHE 1791N 0.47 1.08 -0.29 4.55 0.04 -1.54 -1.57 116.94 119.68 2kbi h PHE 1791Ca 0.01 -0.28 -0.01 0.00 2.80 0.00 0.00 57.97 60.49 2kbi h PHE 1791Cb 1.09 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.98 2kbi h PHE 1791CO 0.05 1.09 0.14 0.22 -0.60 0.00 0.00 178.31 179.20 2kbi h ASP 1792N 0.79 0.38 -0.62 2.17 3.58 -1.39 -3.09 116.42 118.23 2kbi h ASP 1792Ca 0.09 -0.12 0.08 0.00 0.42 0.00 0.00 57.03 57.50 2kbi h ASP 1792Cb 0.84 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.73 2kbi h ASP 1792CO 0.07 0.39 0.28 -0.03 -2.88 0.00 0.00 179.24 177.08 2kbi h MET 1793N 0.33 0.49 -0.15 0.28 4.05 -1.05 -0.94 114.93 117.94 2kbi h MET 1793Ca 0.10 -0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.54 2kbi h MET 1793Cb 0.12 -0.11 -0.07 0.00 -0.80 0.00 0.00 31.60 30.74 2kbi h MET 1793CO -0.01 0.32 -0.36 0.35 0.23 0.00 0.00 176.91 177.44 2kbi h PHE 1794N 0.50 -1.01 0.00 1.39 3.04 -1.21 -1.53 116.94 118.12 2kbi h PHE 1794Ca 0.30 0.04 -0.08 0.00 3.98 0.00 0.00 57.97 62.22 2kbi h PHE 1794Cb 0.32 0.47 -0.01 0.00 2.56 0.00 0.00 35.95 39.28 2kbi h PHE 1794CO -0.13 -0.43 -0.38 1.88 -2.02 0.00 0.00 178.31 177.23 2kbi h TYR 1795N -0.42 0.00 -0.52 0.41 0.05 -1.45 -0.23 116.97 114.81 2kbi h TYR 1795Ca 0.09 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 2kbi h TYR 1795Cb 0.58 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.30 2kbi h TYR 1795CO -0.45 0.38 0.15 1.49 -1.05 0.00 0.00 178.16 178.69 2kbi h GLU 1796N 0.00 0.81 0.00 4.88 4.81 -0.90 -3.07 114.58 121.10 2kbi h GLU 1796Ca -0.00 -0.18 -0.14 0.00 -0.13 0.00 0.00 59.36 58.90 2kbi h GLU 1796Cb 1.00 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 2kbi h GLU 1796CO 0.05 0.75 -0.68 0.82 -0.73 0.00 0.00 179.01 179.22 2kbi h ILE 1797N 0.71 1.34 -0.55 2.32 1.08 -1.16 -3.35 117.51 117.91 2kbi h ILE 1797Ca 0.17 -2.46 0.05 0.00 -0.39 0.00 0.00 64.86 62.22 2kbi h ILE 1797Cb 0.29 2.38 -0.05 0.00 -3.07 0.00 0.00 36.82 36.37 2kbi h ILE 1797CO -0.00 0.67 0.28 -0.25 -0.69 0.00 0.00 178.15 178.16 2kbi h TRP 1798N 0.00 0.51 0.00 1.37 2.91 -0.94 -2.66 115.95 117.14 2kbi h TRP 1798Ca -0.01 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.04 2kbi h TRP 1798Cb 1.33 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 29.83 2kbi h TRP 1798CO 0.00 0.24 0.00 0.93 -1.03 0.00 0.00 178.44 178.58 2kbi h GLU 1799N 0.54 0.00 0.00 2.65 5.08 -1.68 -0.66 114.58 120.50 2kbi h GLU 1799Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2kbi h GLU 1799Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2kbi h GLU 1799CO -0.17 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.71 2kbi h LYS 1800N 0.00 0.00 0.00 2.33 1.79 -1.68 -2.89 116.57 116.11 2kbi h LYS 1800Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kbi h LYS 1800Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2kbi h LYS 1800CO 0.00 0.00 -0.91 1.19 -1.08 0.00 0.00 179.45 178.65 2kbi n PHE 1801N -2.93 0.00 -3.28 -1.35 3.72 -0.59 -4.80 117.46 108.23 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 0.31 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.79 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 -1.43 3.37 0.28 4.37 2.03 -0.36 -4.92 116.55 119.89 2kbi n ASP 1802Ca 0.00 -3.39 0.17 0.00 0.52 0.00 0.00 54.79 52.09 2kbi n ASP 1802Cb 0.06 -0.64 0.73 0.00 -0.72 0.00 0.00 41.12 40.55 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 -1.77 -2.12 132.00 131.41 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 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2kbi h PRO 1803CO 0.77 0.02 0.00 0.39 -0.23 0.00 0.00 178.00 178.96 2kbi n GLU 1804N -3.14 0.08 -2.51 0.86 -0.58 -1.26 -4.94 120.64 109.14 2kbi n GLU 1804Ca 0.00 0.26 -0.16 0.00 -0.42 0.00 0.00 57.16 56.84 2kbi n GLU 1804Cb 0.29 -1.63 -0.00 0.00 -0.57 0.00 0.00 31.44 29.52 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 -1.60 -0.77 0.29 0.62 0.00 -0.80 -4.89 120.51 113.36 2kbi n ALA 1805Ca 0.04 0.12 0.16 0.00 0.00 0.00 0.00 53.44 53.77 2kbi n ALA 1805Cb 0.24 -1.86 0.80 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.13 0.00 -0.21 0.00 1.35 -1.92 -3.46 112.91 108.54 2kbi h THR 1806Ca -0.36 -0.15 -0.09 0.00 -0.55 0.00 0.00 66.41 65.26 2kbi h THR 1806Cb 1.26 0.95 -0.04 0.00 -1.73 0.00 0.00 68.15 68.60 2kbi h THR 1806CO 0.43 0.00 -0.08 0.00 -0.25 0.00 0.00 175.52 175.61 2kbi n GLN 1807N -2.69 -0.55 -4.17 4.72 6.02 -1.26 -5.05 117.38 114.39 2kbi n GLN 1807Ca -0.01 0.53 -0.11 0.00 -0.01 0.00 0.00 57.00 57.40 2kbi n GLN 1807Cb 0.14 -4.22 -0.10 0.00 1.02 0.00 0.00 30.24 27.07 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 -2.04 0.92 0.19 1.08 0.40 -1.26 -1.27 117.98 115.99 2kbi s PHE 1808Ca 0.00 -0.84 0.03 0.00 -0.60 0.00 0.00 56.93 55.52 2kbi s PHE 1808Cb 0.00 -0.52 -0.05 0.00 0.51 0.00 0.00 43.02 42.96 2kbi s PHE 1808CO 0.00 -0.11 -0.04 0.96 0.70 0.00 0.00 175.22 176.73 2kbi s ILE 1809N -3.30 1.01 0.48 0.64 -4.36 -0.84 -4.78 121.20 110.05 2kbi s ILE 1809Ca 0.10 -2.03 -0.19 0.00 -0.26 0.00 0.00 60.65 58.26 2kbi s ILE 1809Cb 0.03 -2.11 -0.09 0.00 1.25 0.00 0.00 42.46 41.55 2kbi s ILE 1809CO -0.03 -0.52 1.00 -1.61 0.24 0.00 0.00 174.94 174.01 2kbi s GLU 1810N -3.83 3.94 0.54 0.37 8.01 -1.26 -0.94 118.70 125.53 2kbi s GLU 1810Ca 0.23 1.17 0.21 0.00 0.01 0.00 0.00 54.97 56.59 2kbi s GLU 1810Cb 0.05 -2.13 1.44 0.00 -4.31 0.00 0.00 34.13 29.18 2kbi s GLU 1810CO 0.05 -0.29 2.15 -0.92 0.01 0.00 0.00 175.26 176.25 2kbi h TYR 1811N 1.42 0.00 0.00 1.61 5.03 -1.49 -1.39 116.97 122.15 2kbi h TYR 1811Ca -0.48 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.83 2kbi h TYR 1811Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.48 2kbi h TYR 1811CO 0.60 0.00 0.00 0.77 -1.32 0.00 0.00 178.16 178.21 2kbi h SER 1812N 0.00 0.00 0.00 -2.11 0.02 -1.93 -3.08 113.55 106.45 2kbi h SER 1812Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2kbi h SER 1812Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2kbi h SER 1812CO -0.00 0.00 -0.21 1.33 -1.14 0.00 0.00 176.83 176.81 2kbi n VAL 1813N -2.70 0.00 -0.28 2.27 0.24 -0.73 -4.75 118.33 112.38 2kbi n VAL 1813Ca -0.01 -0.35 0.08 0.00 -2.04 0.00 0.00 64.34 62.02 2kbi n VAL 1813Cb 0.11 0.87 0.23 0.00 -1.47 0.00 0.00 33.84 33.58 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 0.40 -1.80 1.34 5.85 -1.19 -0.40 115.31 119.51 2kbi h LEU 1814Ca 0.00 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2kbi h LEU 1814Cb 0.00 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 2kbi h LEU 1814CO 0.00 0.13 -0.07 0.77 -0.34 0.00 0.00 178.44 178.93 2kbi h SER 1815N 0.51 0.00 0.28 1.25 4.64 -1.86 0.39 113.55 118.77 2kbi h SER 1815Ca 0.47 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.45 2kbi h SER 1815Cb 0.73 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.79 2kbi h SER 1815CO -0.41 0.07 -1.86 -0.78 -0.87 0.00 0.00 176.83 172.97 2kbi h ASP 1816N 0.00 0.25 -0.15 4.97 3.58 -1.58 -3.28 116.42 120.21 2kbi h ASP 1816Ca -0.00 -0.56 0.02 0.00 0.42 0.00 0.00 57.03 56.91 2kbi h ASP 1816Cb 0.41 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 2kbi h ASP 1816CO 0.01 1.50 0.03 0.15 -2.88 0.00 0.00 179.24 178.05 2kbi h PHE 1817N 0.04 0.04 -0.27 0.28 3.57 -0.96 -2.01 116.94 117.64 2kbi h PHE 1817Ca -0.36 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.23 2kbi h PHE 1817Cb 2.03 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.76 2kbi h PHE 1817CO 0.05 0.01 0.25 0.00 -2.23 0.00 0.00 178.31 176.39 2kbi h ALA 1818N 1.11 2.03 -0.02 2.41 0.00 -1.07 -1.08 119.26 122.63 2kbi h ALA 1818Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kbi h ALA 1818Cb 0.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kbi h ALA 1818CO -0.09 -0.39 -0.21 -3.47 0.00 0.00 0.00 179.25 175.09 2kbi n ASP 1819N -4.02 2.06 0.03 0.00 2.03 -1.01 -1.19 116.55 114.46 2kbi n ASP 1819Ca 0.04 -1.55 0.11 0.00 0.52 0.00 0.00 54.79 53.91 2kbi n ASP 1819Cb 0.40 0.19 -0.06 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 0.33 3.07 -1.40 -1.67 0.00 -0.41 -4.96 120.51 115.46 2kbi n ALA 1820Ca 0.13 -0.42 -0.29 0.00 0.00 0.00 0.00 53.44 52.86 2kbi n ALA 1820Cb 0.47 -0.91 0.16 0.00 0.00 0.00 0.00 19.45 19.16 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 -4.42 1.81 0.30 0.00 1.43 -1.21 -5.01 118.68 111.58 2kbi s LEU 1821Ca -0.01 1.00 0.06 0.00 -1.03 0.00 0.00 54.13 54.15 2kbi s LEU 1821Cb 0.13 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.10 2kbi s LEU 1821CO 0.84 -2.84 0.37 -0.55 0.23 0.00 0.00 176.35 174.41 2kbi s SER 1822N -3.85 5.86 0.64 2.29 0.15 -1.26 -4.64 113.70 112.88 2kbi s SER 1822Ca 0.65 -0.20 -0.18 0.00 0.70 0.00 0.00 55.95 56.92 2kbi s SER 1822Cb -0.16 -1.35 -0.01 0.00 -1.71 0.00 0.00 66.02 62.80 2kbi s SER 1822CO 0.55 -0.28 1.25 -1.61 1.20 0.00 0.00 173.24 174.34 2kbi s GLU 1823N -4.05 2.65 0.00 5.44 2.02 -1.26 -1.58 118.70 121.92 2kbi s GLU 1823Ca 0.40 1.92 0.28 0.00 0.02 0.00 0.00 54.97 57.59 2kbi s GLU 1823Cb -0.08 -1.88 1.03 0.00 0.10 0.00 0.00 34.13 33.30 2kbi s GLU 1823CO 0.29 -1.48 1.76 -0.35 0.02 0.00 0.00 175.26 175.50 2kbi n PRO 1824N -1.92 0.18 0.23 0.39 -0.04 -1.26 -4.82 135.00 127.76 2kbi n PRO 1824Ca 0.15 -0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.63 2kbi n PRO 1824Cb 0.49 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 33.02 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 0.14 0.00 -9.32 1.53 3.38 -1.90 -3.43 115.31 105.70 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 0.46 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.24 2kbi h LEU 1825CO 0.00 0.20 0.88 -1.14 0.09 0.00 0.00 178.44 178.47 2kbi n ARG 1826N -3.92 1.85 -3.66 1.13 3.00 -0.61 -4.97 116.66 109.49 2kbi n ARG 1826Ca -0.02 0.67 -0.38 0.00 -0.00 0.00 0.00 57.85 58.13 2kbi n ARG 1826Cb 0.29 -2.44 -0.08 0.00 0.00 0.00 0.00 32.46 30.23 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 2.49 4.04 0.51 5.15 1.09 -0.33 -4.83 121.20 129.32 2kbi s ILE 1827Ca 0.88 -3.06 -0.22 0.00 -1.10 0.00 0.00 60.65 57.15 2kbi s ILE 1827Cb -0.79 -3.59 -0.06 0.00 -1.06 0.00 0.00 42.46 36.96 2kbi s ILE 1827CO 0.49 -0.93 1.29 0.00 -0.10 0.00 0.00 174.94 175.69 2kbi s ALA 1828N -0.26 2.91 0.57 9.38 0.00 -1.26 -3.90 121.76 129.20 2kbi s ALA 1828Ca 0.19 1.19 -0.20 0.00 0.00 0.00 0.00 51.96 53.14 2kbi s ALA 1828Cb -0.17 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 2kbi s ALA 1828CO -0.05 -1.08 1.27 0.15 0.00 0.00 0.00 175.76 176.04 2kbi s LYS 1829N -2.79 3.06 0.07 0.00 1.02 -1.26 -3.86 119.74 115.98 2kbi s LYS 1829Ca 0.68 2.00 -0.31 0.00 0.02 0.00 0.00 55.97 58.36 2kbi s LYS 1829Cb -0.36 -2.09 -0.07 0.00 -0.52 0.00 0.00 37.83 34.79 2kbi s LYS 1829CO 0.43 -1.18 1.33 -1.25 -0.92 0.00 0.00 175.35 173.77 2kbi s PRO 1830N -3.11 4.34 0.00 -1.68 0.04 -1.26 -5.13 135.00 128.21 2kbi s PRO 1830Ca 0.75 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.76 2kbi s PRO 1830Cb -0.35 -3.35 0.04 0.00 0.04 0.00 0.00 34.50 30.88 2kbi s PRO 1830CO 0.39 -0.42 0.91 0.27 0.04 0.00 0.00 177.00 178.20 2kbi n ASN 1831N 4.29 1.89 0.00 6.66 0.23 -1.25 -4.83 115.26 122.25 2kbi n ASN 1831Ca 0.11 -1.76 -0.08 0.00 -0.53 0.00 0.00 54.58 52.33 2kbi n ASN 1831Cb 0.44 -0.03 -0.05 0.00 -2.08 0.00 0.00 39.78 38.06 2kbi n ASN 1831CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2kbi h GLN 1832N 0.33 -0.29 0.00 -3.83 5.75 -1.96 -0.37 115.11 114.74 2kbi h GLN 1832Ca 0.00 0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.43 2kbi h GLN 1832Cb 0.42 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 2kbi h GLN 1832CO 0.00 -0.19 -0.44 0.82 -2.65 0.00 0.00 178.83 176.36 2kbi h ILE 1833N -0.30 1.31 -0.01 2.39 2.04 -1.99 -1.63 117.51 119.31 2kbi h ILE 1833Ca 0.01 -1.52 -0.00 0.00 1.00 0.00 0.00 64.86 64.35 2kbi h ILE 1833Cb 0.35 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 2kbi h ILE 1833CO -0.21 0.43 0.01 0.28 0.00 0.00 0.00 178.15 178.66 2kbi h SER 1834N 0.00 0.02 0.06 1.72 0.02 -1.83 -2.12 113.55 111.42 2kbi h SER 1834Ca -0.00 -0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.75 2kbi h SER 1834Cb 0.79 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 2kbi h SER 1834CO 0.06 0.07 -0.46 -0.07 -1.14 0.00 0.00 176.83 175.29 2kbi h LEU 1835N -0.04 0.51 -1.48 5.07 3.38 -0.85 -2.86 115.31 119.05 2kbi h LEU 1835Ca 0.01 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.77 2kbi h LEU 1835Cb 0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2kbi h LEU 1835CO -0.00 0.90 0.39 0.40 0.09 0.00 0.00 178.44 180.21 2kbi h ILE 1836N 0.38 1.08 0.00 1.22 2.04 -1.21 -2.00 117.51 119.02 2kbi h ILE 1836Ca 0.02 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2kbi h ILE 1836Cb 0.95 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2kbi h ILE 1836CO 0.08 0.13 0.00 0.59 0.00 0.00 0.00 178.15 178.95 2kbi n ASN 1837N -4.47 0.00 -4.77 1.72 3.02 -0.80 -4.86 115.26 105.10 2kbi n ASN 1837Ca 0.07 -0.02 -0.30 0.00 -0.03 0.00 0.00 54.58 54.30 2kbi n ASN 1837Cb 0.13 -0.31 0.11 0.00 -0.61 0.00 0.00 39.78 39.11 2kbi n ASN 1837CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2kbi s MET 1838N -2.62 1.70 0.00 3.52 -1.94 -0.75 -4.98 119.30 114.24 2kbi s MET 1838Ca 0.23 0.66 0.29 0.00 -1.71 0.00 0.00 55.69 55.16 2kbi s MET 1838Cb 0.17 -1.87 1.70 0.00 2.01 0.00 0.00 34.83 36.84 2kbi s MET 1838CO 0.41 -1.89 2.10 -3.47 -0.01 0.00 0.00 175.02 172.15 2kbi n ASP 1839N -3.62 0.06 -4.67 3.03 2.03 -1.26 -4.97 116.55 107.14 2kbi n ASP 1839Ca 0.07 -1.11 -0.45 0.00 0.52 0.00 0.00 54.79 53.82 2kbi n ASP 1839Cb 0.56 -0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.92 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 -0.91 3.81 0.00 -2.67 4.77 -1.26 -5.04 117.00 115.71 2kbi n LEU 1840Ca 0.22 0.96 -0.10 0.00 -0.03 0.00 0.00 56.01 57.05 2kbi n LEU 1840Cb 0.11 -1.47 0.07 0.00 -2.33 0.00 0.00 43.42 39.81 2kbi n LEU 1840CO 0.16 0.07 0.28 -0.81 -1.33 0.00 0.00 177.39 175.77 2kbi n PRO 1841N 6.55 -0.69 -4.51 3.23 -0.04 -1.26 -5.13 135.00 133.15 2kbi n PRO 1841Ca 0.20 -0.68 -0.21 0.00 -0.04 0.00 0.00 63.50 62.77 2kbi n PRO 1841Cb 0.35 -0.49 -0.15 0.00 -0.04 0.00 0.00 33.50 33.18 2kbi n PRO 1841CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2kbi s MET 1842N -3.97 0.96 0.38 0.54 -1.94 -1.26 -4.76 119.30 109.26 2kbi s MET 1842Ca 0.26 -0.47 0.23 0.00 -1.71 0.00 0.00 55.69 53.99 2kbi s MET 1842Cb -0.01 -0.93 0.28 0.00 2.01 0.00 0.00 34.83 36.18 2kbi s MET 1842CO 0.18 0.25 1.50 -0.39 -0.01 0.00 0.00 175.02 176.55 2kbi h VAL 1843N 4.80 0.00 0.00 -6.03 -1.51 -1.40 -3.36 116.25 108.75 2kbi h VAL 1843Ca -0.33 -0.98 0.00 0.00 -1.23 0.00 0.00 66.70 64.15 2kbi h VAL 1843Cb 1.17 1.88 0.00 0.00 -2.13 0.00 0.00 31.29 32.21 2kbi h VAL 1843CO 0.48 0.00 0.00 -1.54 -1.23 0.00 0.00 177.57 175.28 2kbi n SER 1844N -2.99 0.11 0.00 4.19 3.41 -1.26 -5.00 113.62 112.09 2kbi n SER 1844Ca 0.03 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 2kbi n SER 1844Cb 0.53 0.58 0.00 0.00 -0.26 0.00 0.00 64.21 65.06 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 0.58 1.21 0.00 5.00 0.00 -1.26 -4.85 105.19 105.87 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 -4.68 1.61 5.68 -1.26 -4.96 116.55 112.94 2kbi n ASP 1846Ca 0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 54.79 54.01 2kbi n ASP 1846Cb 0.00 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.90 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 2.49 -0.03 0.11 0.52 -1.26 -1.12 118.95 119.66 2kbi s ARG 1847Ca 0.00 -0.96 0.01 0.00 -0.52 0.00 0.00 55.73 54.26 2kbi s ARG 1847Cb 0.00 -2.46 0.02 0.00 0.52 0.00 0.00 34.95 33.03 2kbi s ARG 1847CO 0.00 0.50 -0.03 0.42 0.02 0.00 0.00 175.30 176.21 2kbi s ILE 1848N -1.50 0.37 0.32 1.52 1.09 -0.11 -0.87 121.20 122.02 2kbi s ILE 1848Ca 0.27 -0.06 -0.28 0.00 -1.10 0.00 0.00 60.65 59.48 2kbi s ILE 1848Cb -0.11 -0.41 -0.09 0.00 -1.06 0.00 0.00 42.46 40.80 2kbi s ILE 1848CO 0.19 0.17 1.09 -2.28 -0.10 0.00 0.00 174.94 174.01 2kbi s HIS 1849N 0.75 3.47 0.15 3.97 5.65 -1.26 -1.98 115.29 126.04 2kbi s HIS 1849Ca -0.09 1.68 -0.22 0.00 0.25 0.00 0.00 55.06 56.69 2kbi s HIS 1849Cb -0.12 -3.25 0.03 0.00 -1.18 0.00 0.00 32.58 28.06 2kbi s HIS 1849CO -0.01 -0.60 1.64 0.00 -0.65 0.00 0.00 174.74 175.12 2kbi h MET 1851N -0.20 0.32 -0.31 0.00 2.86 -1.95 -1.07 114.93 114.57 2kbi h MET 1851Ca 0.14 -0.09 -0.18 0.00 -2.06 0.00 0.00 59.70 57.51 2kbi h MET 1851Cb 0.41 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 2kbi h MET 1851CO -0.36 0.50 -0.50 -0.44 1.06 0.00 0.00 176.91 177.16 2kbi h ASP 1852N 0.30 0.97 0.19 1.22 5.19 -1.87 -0.08 116.42 122.33 2kbi h ASP 1852Ca 0.05 -0.50 -0.01 0.00 -0.62 0.00 0.00 57.03 55.95 2kbi h ASP 1852Cb 0.49 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.73 2kbi h ASP 1852CO 0.03 1.30 -0.09 0.40 -3.12 0.00 0.00 179.24 177.76 2kbi h ILE 1853N 0.69 0.87 -0.01 0.35 2.04 -1.23 -1.48 117.51 118.74 2kbi h ILE 1853Ca 0.03 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.66 2kbi h ILE 1853Cb 1.11 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 2kbi h ILE 1853CO 0.11 0.06 -0.33 0.25 0.00 0.00 0.00 178.15 178.25 2kbi h LEU 1854N -0.38 -0.99 -0.24 1.44 6.46 -1.16 -1.27 115.31 119.16 2kbi h LEU 1854Ca -0.03 0.13 0.05 0.00 -0.12 0.00 0.00 57.88 57.91 2kbi h LEU 1854Cb 0.29 0.40 -0.05 0.00 -0.73 0.00 0.00 40.66 40.57 2kbi h LEU 1854CO 0.04 -0.39 -0.06 0.15 -0.62 0.00 0.00 178.44 177.56 2kbi h PHE 1855N -0.48 -0.14 -0.56 1.25 3.57 -1.02 -0.12 116.94 119.43 2kbi h PHE 1855Ca 0.06 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.63 2kbi h PHE 1855Cb 0.57 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 2kbi h PHE 1855CO -0.35 -0.11 0.31 0.00 -2.23 0.00 0.00 178.31 175.92 2kbi h ALA 1856N 1.23 0.73 -0.09 2.41 0.00 -1.04 -0.71 119.26 121.79 2kbi h ALA 1856Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2kbi h ALA 1856Cb 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kbi h ALA 1856CO -0.25 -0.01 0.03 0.74 0.00 0.00 0.00 179.25 179.75 2kbi h PHE 1857N 0.59 0.16 -0.30 0.00 -1.00 -0.88 -2.77 116.94 112.74 2kbi h PHE 1857Ca 0.24 -0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.94 2kbi h PHE 1857Cb 0.12 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 2kbi h PHE 1857CO -0.08 0.32 -0.08 1.79 -1.61 0.00 0.00 178.31 178.64 2kbi h THR 1858N -0.05 1.28 -0.48 -1.55 1.35 -0.86 -1.88 112.91 110.71 2kbi h THR 1858Ca 0.03 -1.12 0.10 0.00 -0.55 0.00 0.00 66.41 64.87 2kbi h THR 1858Cb 0.24 1.39 -0.10 0.00 -1.73 0.00 0.00 68.15 67.95 2kbi h THR 1858CO -0.00 0.36 -0.20 0.50 -0.25 0.00 0.00 175.52 175.92 2kbi h LYS 1859N 0.35 -0.10 -0.42 4.72 3.64 -1.20 0.55 116.57 124.11 2kbi h LYS 1859Ca 0.08 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2kbi h LYS 1859Cb 0.57 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2kbi h LYS 1859CO 0.03 -0.06 0.15 -0.09 -2.27 0.00 0.00 179.45 177.21 2kbi h ARG 1860N -0.10 0.64 -0.41 1.90 2.43 -1.37 -1.71 114.38 115.76 2kbi h ARG 1860Ca 0.23 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2kbi h ARG 1860Cb 0.45 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2kbi h ARG 1860CO -0.55 0.61 0.27 0.28 -1.51 0.00 0.00 179.97 179.07 2kbi h VAL 1861N 0.54 1.09 0.00 0.20 2.07 -0.97 -2.70 116.25 116.48 2kbi h VAL 1861Ca 0.14 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2kbi h VAL 1861Cb 0.22 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2kbi h VAL 1861CO -0.01 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.86 2kbi n LEU 1862N -4.81 0.63 -0.83 2.57 4.77 0.15 -4.91 117.00 114.57 2kbi n LEU 1862Ca 0.01 0.65 -0.11 0.00 -0.03 0.00 0.00 56.01 56.53 2kbi n LEU 1862Cb 0.03 -0.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.51 2kbi n LEU 1862CO 0.34 -0.53 -0.10 0.61 -1.33 0.00 0.00 177.39 176.38 2kbi n GLY 1863N 0.03 1.20 2.75 -0.72 0.00 -0.72 -4.95 105.19 102.78 2kbi n GLY 1863Ca 0.02 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.45 3.35 0.00 1.61 2.13 -0.73 -5.02 120.64 119.53 2kbi n GLU 1864Ca -0.11 -3.04 0.00 0.00 0.66 0.00 0.00 57.16 54.68 2kbi n GLU 1864Cb 0.39 -3.06 0.00 0.00 0.27 0.00 0.00 31.44 29.04 2kbi n GLU 1864CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15