#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbi s PRO -3 N 0.00 1.54 0.15 1.61 0.04 -1.26 -4.96 135.00 132.12 2kbi s PRO -3 Ca 0.00 0.65 0.19 0.00 0.04 0.00 0.00 61.00 61.87 2kbi s PRO -3 Cb 0.00 -1.86 0.80 0.00 0.04 0.00 0.00 34.50 33.49 2kbi s PRO -3 CO 0.00 -2.00 1.58 0.41 0.04 0.00 0.00 177.00 177.03 2kbi n GLY -2 N -1.70 -1.10 0.17 0.56 0.00 -1.26 -3.31 105.19 98.55 2kbi n GLY -2 Ca 0.07 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.25 2kbi n GLY -2 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kbi h SER -1 N 0.00 0.00 0.00 1.61 0.02 -2.03 -3.16 113.55 109.99 2kbi h SER -1 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2kbi h SER -1 Cb 0.28 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2kbi h SER -1 CO 0.00 0.00 -1.68 1.21 -1.14 0.00 0.00 176.83 175.22 2kbi n GLU 1773N -2.38 1.40 -3.63 3.45 2.13 -1.21 -4.92 120.64 115.49 2kbi n GLU 1773Ca 0.00 -0.05 -0.29 0.00 0.66 0.00 0.00 57.16 57.48 2kbi n GLU 1773Cb 0.14 -1.29 -0.14 0.00 0.27 0.00 0.00 31.44 30.42 2kbi n GLU 1773CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2kbi s ASN 1774N -3.96 3.63 0.25 4.31 0.01 -1.19 -5.12 114.94 112.86 2kbi s ASN 1774Ca -0.05 -1.81 -0.04 0.00 -0.71 0.00 0.00 52.86 50.24 2kbi s ASN 1774Cb 0.05 -0.66 -0.02 0.00 0.41 0.00 0.00 41.25 41.03 2kbi s ASN 1774CO 0.48 -0.38 0.30 0.72 -1.51 0.00 0.00 177.10 176.72 2kbi s PHE 1775N 1.43 0.94 0.30 2.20 -0.71 -1.26 -4.71 117.98 116.18 2kbi s PHE 1775Ca 0.12 -1.18 0.02 0.00 -1.04 0.00 0.00 56.93 54.85 2kbi s PHE 1775Cb -0.19 -0.26 -0.02 0.00 -1.21 0.00 0.00 43.02 41.33 2kbi s PHE 1775CO -0.19 -0.84 0.31 0.45 -1.34 0.00 0.00 175.22 173.60 2kbi s SER 1776N -3.14 1.04 -0.52 1.98 0.15 -1.26 -5.14 113.70 106.81 2kbi s SER 1776Ca 0.33 -1.56 0.03 0.00 0.70 0.00 0.00 55.95 55.45 2kbi s SER 1776Cb 0.03 0.55 0.15 0.00 -1.71 0.00 0.00 66.02 65.04 2kbi s SER 1776CO 0.13 -1.08 0.33 -0.69 1.20 0.00 0.00 173.24 173.13 2kbi s VAL 1777N -3.53 1.75 -0.58 4.45 1.01 -1.26 -4.96 120.40 117.27 2kbi s VAL 1777Ca 0.37 -3.13 0.25 0.00 0.00 0.00 0.00 61.98 59.47 2kbi s VAL 1777Cb 0.02 -2.19 0.27 0.00 0.00 0.00 0.00 36.38 34.48 2kbi s VAL 1777CO 0.21 -0.98 1.75 0.00 0.00 0.00 0.00 175.10 176.08 2kbi n ALA 1778N 2.94 1.94 -0.40 5.51 0.00 -1.26 -5.04 120.51 124.20 2kbi n ALA 1778Ca 0.15 0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.66 2kbi n ALA 1778Cb 0.37 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 2kbi n ALA 1778CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kbi n THR 1779N -2.28 0.00 -2.33 0.00 5.66 -1.26 -4.86 114.28 109.21 2kbi n THR 1779Ca 0.04 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.68 2kbi n THR 1779Cb 0.32 -0.07 -0.01 0.00 -1.55 0.00 0.00 70.33 69.02 2kbi n THR 1779CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2kbi s GLU 1780N -0.57 3.64 -0.18 1.09 2.02 -1.26 -5.08 118.70 118.35 2kbi s GLU 1780Ca 0.00 1.62 -0.12 0.00 0.02 0.00 0.00 54.97 56.49 2kbi s GLU 1780Cb 0.00 -2.20 0.06 0.00 0.10 0.00 0.00 34.13 32.08 2kbi s GLU 1780CO 0.00 -0.62 0.45 -2.00 0.02 0.00 0.00 175.26 173.11 2kbi s GLU 1781N -3.01 0.47 0.69 1.61 2.12 -1.26 -5.17 118.70 114.14 2kbi s GLU 1781Ca 0.67 0.78 -0.14 0.00 0.36 0.00 0.00 54.97 56.65 2kbi s GLU 1781Cb -0.24 0.08 0.01 0.00 0.26 0.00 0.00 34.13 34.24 2kbi s GLU 1781CO 0.28 -0.13 1.10 -1.12 -0.54 0.00 0.00 175.26 174.85 2kbi s SER 1782N 1.07 5.01 0.00 -1.70 0.01 -1.26 -5.02 113.70 111.81 2kbi s SER 1782Ca -0.07 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.11 2kbi s SER 1782Cb -0.06 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2kbi s SER 1782CO -0.09 -1.70 0.49 0.35 0.41 0.00 0.00 173.24 172.70 2kbi n THR 1783N -2.72 0.23 -2.28 1.44 -2.24 -1.26 -5.09 114.28 102.36 2kbi n THR 1783Ca 0.10 -0.31 -0.40 0.00 -2.27 0.00 0.00 64.05 61.17 2kbi n THR 1783Cb 0.52 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.23 4.34 0.00 -0.78 2.02 -1.26 -4.97 118.70 117.83 2kbi s GLU 1784Ca 0.00 1.98 0.28 0.00 0.02 0.00 0.00 54.97 57.25 2kbi s GLU 1784Cb 0.00 -2.98 1.18 0.00 0.10 0.00 0.00 34.13 32.43 2kbi s GLU 1784CO 0.00 -0.11 1.89 -0.35 0.02 0.00 0.00 175.26 176.71 2kbi n PRO 1785N 0.69 0.00 -4.25 0.39 -0.04 -1.26 -4.89 135.00 125.64 2kbi n PRO 1785Ca 0.01 0.02 -0.14 0.00 -0.04 0.00 0.00 63.50 63.35 2kbi n PRO 1785Cb 0.44 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 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 -3.02 2.53 0.25 1.53 1.43 -1.26 -5.11 118.68 115.03 2kbi s LEU 1786Ca 0.13 -1.00 0.02 0.00 -1.03 0.00 0.00 54.13 52.25 2kbi s LEU 1786Cb 0.18 -0.36 -0.03 0.00 0.03 0.00 0.00 46.19 46.01 2kbi s LEU 1786CO 0.51 -0.32 0.21 -0.44 0.23 0.00 0.00 176.35 176.53 2kbi s SER 1787N -3.13 0.74 0.64 2.29 0.01 -1.26 -5.05 113.70 107.94 2kbi s SER 1787Ca 0.16 -1.52 0.42 0.00 1.31 0.00 0.00 55.95 56.32 2kbi s SER 1787Cb 0.02 0.46 2.23 0.00 0.21 0.00 0.00 66.02 68.94 2kbi s SER 1787CO 0.01 -0.95 2.30 -0.33 0.41 0.00 0.00 173.24 174.68 2kbi h GLU 1788N 2.41 0.00 -0.26 12.44 5.08 -2.02 -1.88 114.58 130.34 2kbi h GLU 1788Ca -0.31 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 2kbi h GLU 1788Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2kbi h GLU 1788CO 0.46 0.00 -0.05 0.22 -1.00 0.00 0.00 179.01 178.64 2kbi h ASP 1789N 0.00 0.38 -0.23 1.42 3.58 -1.99 0.47 116.42 120.06 2kbi h ASP 1789Ca -0.00 -0.07 -0.17 0.00 0.42 0.00 0.00 57.03 57.20 2kbi h ASP 1789Cb 0.09 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2kbi h ASP 1789CO 0.00 0.49 -0.53 0.44 -2.88 0.00 0.00 179.24 176.76 2kbi h ASP 1790N 0.39 0.87 0.16 2.28 3.32 -1.76 -2.81 116.42 118.88 2kbi h ASP 1790Ca 0.08 -0.56 -0.13 0.00 0.02 0.00 0.00 57.03 56.45 2kbi h ASP 1790Cb 0.35 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2kbi h ASP 1790CO 0.02 1.27 -0.46 -0.26 -1.72 0.00 0.00 179.24 178.09 2kbi h PHE 1791N 0.51 0.43 -0.42 4.55 0.04 -1.47 -1.66 116.94 118.91 2kbi h PHE 1791Ca -0.00 -0.13 0.01 0.00 2.80 0.00 0.00 57.97 60.65 2kbi h PHE 1791Cb 1.14 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 39.18 2kbi h PHE 1791CO 0.08 0.75 0.27 0.22 -0.60 0.00 0.00 178.31 179.03 2kbi h ASP 1792N 0.29 0.45 -0.71 2.17 3.58 -0.94 -0.72 116.42 120.53 2kbi h ASP 1792Ca 0.02 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.49 2kbi h ASP 1792Cb 0.92 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.82 2kbi h ASP 1792CO 0.08 0.33 0.44 -0.03 -2.88 0.00 0.00 179.24 177.18 2kbi h MET 1793N 0.54 0.84 0.39 0.28 4.05 -1.29 -0.37 114.93 119.38 2kbi h MET 1793Ca 0.16 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.52 2kbi h MET 1793Cb -0.04 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.55 2kbi h MET 1793CO -0.05 0.55 -0.35 0.35 0.23 0.00 0.00 176.91 177.64 2kbi h PHE 1794N 0.86 -0.95 -0.09 1.39 3.04 -0.95 -2.55 116.94 117.70 2kbi h PHE 1794Ca 0.29 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.18 2kbi h PHE 1794Cb 0.03 0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 2kbi h PHE 1794CO -0.04 -0.50 -0.21 1.88 -2.02 0.00 0.00 178.31 177.41 2kbi h TYR 1795N -0.76 0.17 0.06 0.41 0.05 -1.01 -0.22 116.97 115.67 2kbi h TYR 1795Ca -0.03 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.72 2kbi h TYR 1795Cb 0.67 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.36 2kbi h TYR 1795CO -0.18 0.37 -0.03 1.49 -1.05 0.00 0.00 178.16 178.75 2kbi h GLU 1796N 0.15 -0.08 -0.12 4.88 4.57 -0.99 -3.11 114.58 119.87 2kbi h GLU 1796Ca 0.03 0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.07 2kbi h GLU 1796Cb 0.47 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 2kbi h GLU 1796CO 0.03 -0.03 -0.52 0.82 -1.18 0.00 0.00 179.01 178.13 2kbi h ILE 1797N -0.10 1.34 -0.57 2.32 1.08 -1.26 -3.32 117.51 117.00 2kbi h ILE 1797Ca -0.01 -1.79 0.10 0.00 -0.39 0.00 0.00 64.86 62.78 2kbi h ILE 1797Cb 0.08 1.82 -0.08 0.00 -3.07 0.00 0.00 36.82 35.58 2kbi h ILE 1797CO 0.01 0.54 0.12 -0.25 -0.69 0.00 0.00 178.15 177.88 2kbi h TRP 1798N 0.27 0.19 0.00 1.37 2.91 -0.97 -2.46 115.95 117.27 2kbi h TRP 1798Ca 0.01 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.06 2kbi h TRP 1798Cb 1.01 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.67 2kbi h TRP 1798CO 0.03 -0.02 0.00 0.93 -1.03 0.00 0.00 178.44 178.35 2kbi h GLU 1799N 0.26 0.00 0.00 2.65 5.08 -1.65 -0.63 114.58 120.29 2kbi h GLU 1799Ca 0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2kbi h GLU 1799Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2kbi h GLU 1799CO -0.38 0.00 -0.02 0.87 -1.00 0.00 0.00 179.01 178.48 2kbi h LYS 1800N 0.00 0.00 0.00 2.33 1.57 -1.65 -3.28 116.57 115.54 2kbi h LYS 1800Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kbi h LYS 1800Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2kbi h LYS 1800CO 0.00 0.02 -0.94 1.19 -0.57 0.00 0.00 179.45 179.14 2kbi n PHE 1801N -3.12 0.00 -3.67 -1.35 3.72 -0.35 -4.80 117.46 107.89 2kbi n PHE 1801Ca 0.01 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.10 2kbi n PHE 1801Cb 0.32 -0.07 -0.09 0.00 -0.94 0.00 0.00 39.48 38.70 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 -1.51 3.70 0.20 4.37 2.03 -0.55 -4.89 116.55 119.90 2kbi n ASP 1802Ca -0.00 -3.26 0.14 0.00 0.52 0.00 0.00 54.79 52.19 2kbi n ASP 1802Cb 0.09 -0.84 0.54 0.00 -0.72 0.00 0.00 41.12 40.19 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 5.23 0.00 0.00 -0.67 0.13 -1.87 -2.88 132.00 131.94 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 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2kbi h PRO 1803CO 0.82 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.98 2kbi n GLU 1804N -2.69 0.21 -1.60 0.86 1.02 -1.26 -4.93 120.64 112.25 2kbi n GLU 1804Ca 0.02 0.25 -0.11 0.00 -0.02 0.00 0.00 57.16 57.30 2kbi n GLU 1804Cb 0.31 -1.78 -0.04 0.00 -0.02 0.00 0.00 31.44 29.91 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 -1.74 -0.32 0.71 0.62 0.00 -1.09 -4.89 120.51 113.80 2kbi n ALA 1805Ca 0.05 0.16 0.10 0.00 0.00 0.00 0.00 53.44 53.75 2kbi n ALA 1805Cb 0.36 -1.27 0.44 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.12 0.58 -1.97 0.00 5.66 -1.26 -4.90 114.28 110.26 2kbi n THR 1806Ca -0.12 0.14 -0.15 0.00 -3.05 0.00 0.00 64.05 60.88 2kbi n THR 1806Cb 0.43 -0.79 -0.03 0.00 -1.55 0.00 0.00 70.33 68.39 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 -1.50 -1.14 -4.21 1.09 6.02 -1.26 -5.03 117.38 111.36 2kbi n GLN 1807Ca 0.05 0.84 -0.16 0.00 -0.01 0.00 0.00 57.00 57.71 2kbi n GLN 1807Cb 0.24 -5.10 -0.14 0.00 1.02 0.00 0.00 30.24 26.27 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 -2.68 0.65 0.13 1.08 0.08 -1.26 -0.99 117.98 115.00 2kbi s PHE 1808Ca 0.00 -0.20 0.02 0.00 0.12 0.00 0.00 56.93 56.87 2kbi s PHE 1808Cb 0.00 -0.41 -0.04 0.00 -0.57 0.00 0.00 43.02 42.00 2kbi s PHE 1808CO 0.00 -0.02 -0.05 0.96 -0.10 0.00 0.00 175.22 176.01 2kbi s ILE 1809N -0.43 0.80 0.48 0.64 -4.36 -0.92 -4.83 121.20 112.57 2kbi s ILE 1809Ca 0.00 -1.98 -0.20 0.00 -0.26 0.00 0.00 60.65 58.22 2kbi s ILE 1809Cb -0.04 -1.84 -0.09 0.00 1.25 0.00 0.00 42.46 41.74 2kbi s ILE 1809CO -0.00 -0.73 1.01 -1.61 0.24 0.00 0.00 174.94 173.84 2kbi s GLU 1810N -3.84 3.91 0.46 0.37 8.01 -1.26 -1.21 118.70 125.14 2kbi s GLU 1810Ca 0.16 1.25 0.12 0.00 0.01 0.00 0.00 54.97 56.51 2kbi s GLU 1810Cb 0.05 -2.12 1.06 0.00 -4.31 0.00 0.00 34.13 28.81 2kbi s GLU 1810CO -0.01 -0.32 2.08 -0.92 0.01 0.00 0.00 175.26 176.10 2kbi h TYR 1811N 1.55 0.29 0.00 1.61 3.20 -1.72 -1.15 116.97 120.75 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 1.21 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2kbi h TYR 1811CO 0.59 0.17 0.00 -1.13 -1.64 0.00 0.00 178.16 176.15 2kbi n SER 1812N -4.50 0.51 -0.00 -2.11 3.41 -1.26 -3.08 113.62 106.59 2kbi n SER 1812Ca 0.02 0.65 0.01 0.00 -0.26 0.00 0.00 58.87 59.29 2kbi n SER 1812Cb 0.13 -0.75 -0.02 0.00 -0.26 0.00 0.00 64.21 63.31 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 -2.09 0.00 -0.33 -3.33 0.24 -0.75 -4.67 118.33 107.40 2kbi n VAL 1813Ca 0.01 -0.20 0.03 0.00 -2.04 0.00 0.00 64.34 62.15 2kbi n VAL 1813Cb 0.17 0.66 0.18 0.00 -1.47 0.00 0.00 33.84 33.37 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 0.86 -1.13 1.34 6.46 -1.17 -0.11 115.31 121.56 2kbi h LEU 1814Ca 0.00 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2kbi h LEU 1814Cb 0.09 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 39.84 2kbi h LEU 1814CO 0.00 0.51 0.46 0.77 -0.62 0.00 0.00 178.44 179.56 2kbi h SER 1815N 0.97 0.93 0.36 1.25 4.64 -1.83 0.57 113.55 120.45 2kbi h SER 1815Ca 0.42 -0.06 -0.23 0.00 -0.47 0.00 0.00 61.79 61.46 2kbi h SER 1815Cb 0.30 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2kbi h SER 1815CO -0.22 0.72 -0.98 -0.78 -0.87 0.00 0.00 176.83 174.70 2kbi h ASP 1816N 1.07 0.53 -0.35 4.97 3.58 -1.67 -3.20 116.42 121.35 2kbi h ASP 1816Ca 0.28 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2kbi h ASP 1816Cb -0.03 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 2kbi h ASP 1816CO -0.05 1.25 0.22 0.15 -2.88 0.00 0.00 179.24 177.93 2kbi h PHE 1817N 0.22 0.46 -0.43 0.28 3.57 -0.82 -2.09 116.94 118.12 2kbi h PHE 1817Ca -0.09 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.53 2kbi h PHE 1817Cb 1.63 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 40.20 2kbi h PHE 1817CO 0.06 0.31 0.30 0.00 -2.23 0.00 0.00 178.31 176.76 2kbi h ALA 1818N 1.11 2.31 -0.01 2.41 0.00 -0.94 -0.79 119.26 123.34 2kbi h ALA 1818Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2kbi h ALA 1818Cb -0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kbi h ALA 1818CO -0.03 -0.42 -0.36 -3.47 0.00 0.00 0.00 179.25 174.97 2kbi n ASP 1819N -4.43 1.41 0.09 0.00 2.03 -1.09 -1.18 116.55 113.38 2kbi n ASP 1819Ca 0.07 -1.13 0.12 0.00 0.52 0.00 0.00 54.79 54.37 2kbi n ASP 1819Cb 0.45 0.29 0.04 0.00 -0.72 0.00 0.00 41.12 41.18 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 3.74 0.51 -2.39 -1.67 0.00 -0.44 -3.48 119.26 115.52 2kbi h ALA 1820Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 2kbi h ALA 1820Cb 0.60 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.52 2kbi h ALA 1820CO 0.00 0.00 0.30 -0.51 0.00 0.00 0.00 179.25 179.04 2kbi s LEU 1821N -5.06 2.38 0.44 0.00 1.43 -1.19 -5.01 118.68 111.67 2kbi s LEU 1821Ca 0.01 1.32 -0.03 0.00 -1.03 0.00 0.00 54.13 54.40 2kbi s LEU 1821Cb 0.11 -3.82 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 2kbi s LEU 1821CO 0.78 -2.30 0.72 -0.55 0.23 0.00 0.00 176.35 175.22 2kbi s SER 1822N -3.74 6.23 0.67 2.29 0.15 -1.26 -4.64 113.70 113.39 2kbi s SER 1822Ca 0.62 0.75 -0.17 0.00 0.70 0.00 0.00 55.95 57.85 2kbi s SER 1822Cb -0.16 -2.13 0.01 0.00 -1.71 0.00 0.00 66.02 62.03 2kbi s SER 1822CO 0.55 -0.52 1.24 -1.61 1.20 0.00 0.00 173.24 174.10 2kbi s GLU 1823N -4.62 2.45 0.00 5.44 2.02 -1.26 -1.88 118.70 120.86 2kbi s GLU 1823Ca 0.45 1.88 0.28 0.00 0.02 0.00 0.00 54.97 57.61 2kbi s GLU 1823Cb -0.10 -1.86 1.04 0.00 0.10 0.00 0.00 34.13 33.31 2kbi s GLU 1823CO 0.42 -1.62 1.76 -0.35 0.02 0.00 0.00 175.26 175.48 2kbi n PRO 1824N -2.20 0.39 0.24 0.39 -0.04 -1.26 -4.83 135.00 127.69 2kbi n PRO 1824Ca 0.14 -0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 2kbi n PRO 1824Cb 0.49 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.04 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 0.35 0.00 -9.39 1.53 3.38 -1.88 -3.45 115.31 105.84 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 0.43 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.25 2kbi h LEU 1825CO 0.00 0.16 0.51 -1.14 0.09 0.00 0.00 178.44 178.06 2kbi n ARG 1826N -3.41 1.52 -3.96 1.13 3.00 -0.79 -4.96 116.66 109.20 2kbi n ARG 1826Ca -0.00 0.55 -0.30 0.00 -0.00 0.00 0.00 57.85 58.09 2kbi n ARG 1826Cb 0.35 -2.18 -0.14 0.00 0.00 0.00 0.00 32.46 30.48 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 0.32 2.43 0.52 5.15 1.09 -0.32 -4.89 121.20 125.50 2kbi s ILE 1827Ca 0.78 -2.98 -0.22 0.00 -1.10 0.00 0.00 60.65 57.12 2kbi s ILE 1827Cb -0.82 -2.72 -0.06 0.00 -1.06 0.00 0.00 42.46 37.80 2kbi s ILE 1827CO 0.47 -0.74 1.34 0.00 -0.10 0.00 0.00 174.94 175.91 2kbi s ALA 1828N 0.11 2.90 0.75 9.38 0.00 -1.26 -3.70 121.76 129.94 2kbi s ALA 1828Ca 0.15 1.31 -0.13 0.00 0.00 0.00 0.00 51.96 53.28 2kbi s ALA 1828Cb -0.24 -3.55 0.05 0.00 0.00 0.00 0.00 23.12 19.38 2kbi s ALA 1828CO -0.03 -1.26 1.15 0.15 0.00 0.00 0.00 175.76 175.77 2kbi s LYS 1829N -2.81 2.14 0.25 0.00 1.02 -1.26 -4.04 119.74 115.03 2kbi s LYS 1829Ca 0.69 1.50 -0.31 0.00 0.02 0.00 0.00 55.97 57.87 2kbi s LYS 1829Cb -0.39 -1.86 -0.11 0.00 -0.52 0.00 0.00 37.83 34.94 2kbi s LYS 1829CO 0.47 -1.78 1.62 -2.14 -0.92 0.00 0.00 175.35 172.61 2kbi s PRO 1830N -4.29 4.14 0.00 -1.68 0.02 -1.26 -5.13 135.00 126.80 2kbi s PRO 1830Ca 0.68 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.24 2kbi s PRO 1830Cb -0.23 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.23 2kbi s PRO 1830CO 0.49 -0.65 0.29 0.27 -0.33 0.00 0.00 177.00 177.07 2kbi n ASN 1831N 3.01 0.59 -0.12 2.53 0.23 -1.26 -4.80 115.26 115.44 2kbi n ASN 1831Ca 0.11 -0.88 0.10 0.00 -0.53 0.00 0.00 54.58 53.38 2kbi n ASN 1831Cb 0.37 0.14 0.44 0.00 -2.08 0.00 0.00 39.78 38.65 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 0.53 0.07 -3.83 3.07 -1.94 -0.73 115.11 112.27 2kbi h GLN 1832Ca 0.00 -0.03 -0.28 0.00 0.09 0.00 0.00 58.65 58.43 2kbi h GLN 1832Cb 0.11 -0.12 0.02 0.00 0.08 0.00 0.00 27.48 27.58 2kbi h GLN 1832CO 0.00 0.35 -1.15 0.82 0.09 0.00 0.00 178.83 178.94 2kbi h ILE 1833N 0.54 1.31 -0.54 1.86 1.08 -2.00 -3.00 117.51 116.77 2kbi h ILE 1833Ca 0.29 -2.42 0.05 0.00 -0.39 0.00 0.00 64.86 62.39 2kbi h ILE 1833Cb 0.42 2.57 -0.05 0.00 -3.07 0.00 0.00 36.82 36.70 2kbi h ILE 1833CO -0.09 0.74 0.26 0.28 -0.69 0.00 0.00 178.15 178.65 2kbi h SER 1834N 0.30 0.37 -0.50 1.72 0.02 -1.63 -1.87 113.55 111.95 2kbi h SER 1834Ca -0.15 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.74 2kbi h SER 1834Cb 1.81 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 64.30 2kbi h SER 1834CO 0.22 0.25 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.08 2kbi h LEU 1835N 0.51 0.91 -1.55 5.07 3.38 -1.25 -2.71 115.31 119.66 2kbi h LEU 1835Ca 0.24 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2kbi h LEU 1835Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2kbi h LEU 1835CO -0.18 0.98 0.06 0.40 0.09 0.00 0.00 178.44 179.79 2kbi h ILE 1836N 0.86 1.12 0.00 1.22 2.04 -1.31 -2.36 117.51 119.07 2kbi h ILE 1836Ca 0.16 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2kbi h ILE 1836Cb 0.52 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2kbi h ILE 1836CO 0.03 0.15 0.00 0.59 0.00 0.00 0.00 178.15 178.92 2kbi n ASN 1837N -4.40 0.41 -4.90 1.72 3.02 -0.74 -4.85 115.26 105.53 2kbi n ASN 1837Ca 0.01 0.55 -0.29 0.00 -0.03 0.00 0.00 54.58 54.82 2kbi n ASN 1837Cb 0.15 -0.66 0.08 0.00 -0.61 0.00 0.00 39.78 38.75 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 -3.08 2.06 0.00 3.52 -1.94 -0.89 -5.00 119.30 113.97 2kbi s MET 1838Ca 0.11 0.11 0.08 0.00 -1.71 0.00 0.00 55.69 54.27 2kbi s MET 1838Cb 0.14 -1.98 0.32 0.00 2.01 0.00 0.00 34.83 35.32 2kbi s MET 1838CO 0.52 -1.52 1.23 -3.47 -0.01 0.00 0.00 175.02 171.77 2kbi n ASP 1839N -3.25 0.68 -4.67 3.03 2.03 -1.26 -4.98 116.55 108.12 2kbi n ASP 1839Ca 0.08 -1.89 -0.55 0.00 0.52 0.00 0.00 54.79 52.95 2kbi n ASP 1839Cb 0.61 -0.08 -0.07 0.00 -0.72 0.00 0.00 41.12 40.86 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 -0.18 2.60 -4.81 -2.67 4.77 -1.26 -4.99 117.00 110.46 2kbi n LEU 1840Ca 0.07 0.97 -0.30 0.00 -0.03 0.00 0.00 56.01 56.72 2kbi n LEU 1840Cb 0.12 -1.21 0.21 0.00 -2.33 0.00 0.00 43.42 40.22 2kbi n LEU 1840CO 0.05 -0.37 0.79 -2.16 -1.33 0.00 0.00 177.39 174.37 2kbi s PRO 1841N 4.03 -0.20 -0.07 3.23 0.04 -1.26 -5.11 135.00 135.66 2kbi s PRO 1841Ca 0.99 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.69 2kbi s PRO 1841Cb -0.96 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 31.86 2kbi s PRO 1841CO 0.61 -2.98 -0.06 -1.64 0.04 0.00 0.00 177.00 172.97 2kbi s MET 1842N -5.76 1.08 0.21 4.56 -1.94 -1.26 -4.67 119.30 111.53 2kbi s MET 1842Ca 0.74 -0.15 0.25 0.00 -1.71 0.00 0.00 55.69 54.83 2kbi s MET 1842Cb -0.05 -1.12 0.87 0.00 2.01 0.00 0.00 34.83 36.55 2kbi s MET 1842CO 0.54 -0.14 1.76 1.33 -0.01 0.00 0.00 175.02 178.50 2kbi n VAL 1843N 4.41 0.64 0.00 -6.03 0.24 -0.09 -4.54 118.33 112.96 2kbi n VAL 1843Ca -0.18 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2kbi n VAL 1843Cb 0.51 -0.74 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 2kbi n VAL 1843CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2kbi n SER 1844N -2.22 0.00 0.00 -1.34 2.88 -1.26 -5.06 113.62 106.62 2kbi n SER 1844Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2kbi n SER 1844Cb 0.37 0.19 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2kbi n SER 1844CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kbi n GLY 1845N -0.07 0.00 0.00 0.46 0.00 -1.26 -5.03 105.19 99.29 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 -4.57 1.61 5.75 -1.26 -5.05 116.55 113.02 2kbi n ASP 1846Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.53 2kbi n ASP 1846Cb 0.00 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.00 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 2.06 -0.01 0.11 0.52 -1.26 -1.79 118.95 118.58 2kbi s ARG 1847Ca 0.00 -1.41 -0.00 0.00 -0.52 0.00 0.00 55.73 53.79 2kbi s ARG 1847Cb 0.00 -2.08 0.01 0.00 0.52 0.00 0.00 34.95 33.40 2kbi s ARG 1847CO 0.00 0.39 0.01 0.42 0.02 0.00 0.00 175.30 176.14 2kbi s ILE 1848N -2.06 -0.02 0.23 1.52 1.09 -0.35 -0.91 121.20 120.71 2kbi s ILE 1848Ca 0.28 0.09 -0.30 0.00 -1.10 0.00 0.00 60.65 59.62 2kbi s ILE 1848Cb -0.07 -0.04 -0.09 0.00 -1.06 0.00 0.00 42.46 41.20 2kbi s ILE 1848CO 0.17 0.04 1.13 -2.28 -0.10 0.00 0.00 174.94 173.89 2kbi s HIS 1849N 0.42 3.53 0.16 3.97 5.65 -1.26 -2.17 115.29 125.59 2kbi s HIS 1849Ca -0.04 1.60 -0.25 0.00 0.25 0.00 0.00 55.06 56.62 2kbi s HIS 1849Cb -0.05 -3.33 0.02 0.00 -1.18 0.00 0.00 32.58 28.04 2kbi s HIS 1849CO -0.01 -0.76 1.59 0.00 -0.65 0.00 0.00 174.74 174.90 2kbi h MET 1851N -0.31 0.80 -0.12 0.00 1.85 -1.95 -2.09 114.93 113.12 2kbi h MET 1851Ca 0.15 -0.25 -0.08 0.00 -0.61 0.00 0.00 59.70 58.92 2kbi h MET 1851Cb 0.57 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.51 2kbi h MET 1851CO -0.54 0.85 -0.26 -0.44 -0.40 0.00 0.00 176.91 176.11 2kbi h ASP 1852N 0.73 0.22 0.04 1.39 5.19 -1.90 0.54 116.42 122.63 2kbi h ASP 1852Ca 0.13 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2kbi h ASP 1852Cb 0.54 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.00 2kbi h ASP 1852CO 0.03 0.49 -0.02 0.40 -3.12 0.00 0.00 179.24 177.02 2kbi h ILE 1853N 0.20 1.18 -0.51 0.35 2.04 -1.16 -1.10 117.51 118.51 2kbi h ILE 1853Ca 0.03 -0.73 0.08 0.00 1.00 0.00 0.00 64.86 65.25 2kbi h ILE 1853Cb 0.58 1.66 -0.07 0.00 -0.74 0.00 0.00 36.82 38.25 2kbi h ILE 1853CO 0.04 0.18 0.11 0.25 0.00 0.00 0.00 178.15 178.74 2kbi h LEU 1854N -0.38 0.03 0.21 1.44 5.85 -1.07 -1.04 115.31 120.35 2kbi h LEU 1854Ca -0.01 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2kbi h LEU 1854Cb 0.35 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2kbi h LEU 1854CO 0.01 0.04 -0.21 0.15 -0.34 0.00 0.00 178.44 178.09 2kbi h PHE 1855N 0.25 -0.56 -0.90 1.25 3.57 -0.88 0.25 116.94 119.93 2kbi h PHE 1855Ca 0.25 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.85 2kbi h PHE 1855Cb 0.34 0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.22 2kbi h PHE 1855CO -0.22 -0.32 0.55 0.00 -2.23 0.00 0.00 178.31 176.09 2kbi h ALA 1856N 0.26 1.30 -0.03 2.41 0.00 -0.90 -1.90 119.26 120.41 2kbi h ALA 1856Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2kbi h ALA 1856Cb 0.43 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kbi h ALA 1856CO -0.05 0.20 -0.03 0.74 0.00 0.00 0.00 179.25 180.10 2kbi h PHE 1857N 0.92 0.09 0.00 0.00 -1.00 -1.02 -3.31 116.94 112.62 2kbi h PHE 1857Ca 0.43 -0.03 -0.04 0.00 2.81 0.00 0.00 57.97 61.14 2kbi h PHE 1857Cb 0.35 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 2kbi h PHE 1857CO -0.03 0.56 -0.17 1.79 -1.61 0.00 0.00 178.31 178.84 2kbi h THR 1858N -0.41 0.82 -0.29 -1.55 1.35 -0.77 -2.77 112.91 109.29 2kbi h THR 1858Ca 0.00 -0.67 0.04 0.00 -0.55 0.00 0.00 66.41 65.23 2kbi h THR 1858Cb 0.55 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 2kbi h THR 1858CO 0.01 0.17 0.20 0.11 -0.25 0.00 0.00 175.52 175.76 2kbi h LYS 1859N 0.00 0.21 -0.44 4.72 1.57 -1.43 -0.51 116.57 120.69 2kbi h LYS 1859Ca -0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2kbi h LYS 1859Cb 0.38 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2kbi h LYS 1859CO 0.02 0.14 0.17 0.00 -0.57 0.00 0.00 179.45 179.21 2kbi h ARG 1860N 0.22 0.67 -0.54 3.15 2.47 -1.64 -0.65 114.38 118.05 2kbi h ARG 1860Ca 0.13 -0.13 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 2kbi h ARG 1860Cb 0.23 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 2kbi h ARG 1860CO -0.02 0.63 0.08 0.28 0.56 0.00 0.00 179.97 181.49 2kbi h VAL 1861N 0.57 1.26 0.00 2.04 2.07 -1.41 -2.56 116.25 118.22 2kbi h VAL 1861Ca 0.15 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2kbi h VAL 1861Cb 0.21 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2kbi h VAL 1861CO -0.01 0.35 0.00 0.18 0.02 0.00 0.00 177.57 178.11 2kbi n LEU 1862N -4.35 0.36 -0.06 2.57 4.77 -0.29 -4.92 117.00 115.09 2kbi n LEU 1862Ca 0.02 0.59 -0.01 0.00 -0.03 0.00 0.00 56.01 56.59 2kbi n LEU 1862Cb 0.27 -0.55 -0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2kbi n LEU 1862CO 0.41 -0.44 -0.01 0.61 -1.33 0.00 0.00 177.39 176.64 2kbi n GLY 1863N -0.08 0.48 0.09 -0.72 0.00 -0.71 -4.94 105.19 99.30 2kbi n GLY 1863Ca 0.03 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.63 0.24 0.00 1.61 1.02 -0.33 -5.00 120.64 115.55 2kbi n GLU 1864Ca -0.01 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2kbi n GLU 1864Cb 0.07 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 2kbi n GLU 1864CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74