#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 1.50 0.00 1.61 0.04 -1.26 -5.03 135.00 131.86 2kbi s PRO -3 Ca 0.00 0.50 0.02 0.00 0.04 0.00 0.00 61.00 61.56 2kbi s PRO -3 Cb 0.00 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.71 2kbi s PRO -3 CO 0.00 -2.00 0.77 0.41 0.04 0.00 0.00 177.00 176.23 2kbi n GLY -2 N -1.98 0.78 0.08 0.56 0.00 -1.26 -5.03 105.19 98.34 2kbi n GLY -2 Ca 0.07 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 0.04 0.29 -0.35 1.61 7.64 -1.26 -1.65 113.62 119.95 2kbi n SER -1 Ca -0.08 0.62 0.12 0.00 1.01 0.00 0.00 58.87 60.54 2kbi n SER -1 Cb 0.64 -0.66 0.31 0.00 -1.01 0.00 0.00 64.21 63.49 2kbi n SER -1 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2kbi h GLU 1773N 0.00 0.79 0.00 1.43 5.08 -2.03 -2.65 114.58 117.19 2kbi h GLU 1773Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2kbi h GLU 1773Cb 0.09 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2kbi h GLU 1773CO 0.00 0.52 -0.19 -1.71 -1.00 0.00 0.00 179.01 176.63 2kbi n ASN 1774N -4.72 0.76 -4.92 1.42 5.15 -0.66 -4.95 115.26 107.35 2kbi n ASN 1774Ca 0.22 0.43 -0.27 0.00 -0.60 0.00 0.00 54.58 54.36 2kbi n ASN 1774Cb 0.52 -0.49 0.06 0.00 -0.53 0.00 0.00 39.78 39.34 2kbi n ASN 1774CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2kbi s PHE 1775N -3.12 3.04 -2.00 1.20 0.40 -1.00 -4.98 117.98 111.53 2kbi s PHE 1775Ca 0.09 0.57 0.11 0.00 -0.60 0.00 0.00 56.93 57.11 2kbi s PHE 1775Cb 0.13 -3.09 0.66 0.00 0.51 0.00 0.00 43.02 41.23 2kbi s PHE 1775CO 0.63 -1.26 1.10 0.43 0.70 0.00 0.00 175.22 176.82 2kbi n SER 1776N -2.87 0.00 0.07 1.36 7.64 -1.26 -4.00 113.62 114.56 2kbi n SER 1776Ca 0.07 -0.66 0.08 0.00 1.01 0.00 0.00 58.87 59.37 2kbi n SER 1776Cb 0.59 0.00 0.36 0.00 -1.01 0.00 0.00 64.21 64.15 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 -0.84 1.14 -1.15 0.44 0.24 -1.26 -4.80 118.33 112.09 2kbi n VAL 1777Ca 0.08 0.38 -0.31 0.00 -2.04 0.00 0.00 64.34 62.45 2kbi n VAL 1777Cb 0.04 -1.28 0.11 0.00 -1.47 0.00 0.00 33.84 31.24 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 -3.20 2.00 0.84 2.33 0.00 -1.26 -5.07 121.76 117.40 2kbi s ALA 1778Ca 0.03 0.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 2kbi s ALA 1778Cb 0.07 -3.29 0.09 0.00 0.00 0.00 0.00 23.12 20.00 2kbi s ALA 1778CO 0.24 -2.03 1.10 -0.08 0.00 0.00 0.00 175.76 174.99 2kbi s THR 1779N -2.86 2.77 0.00 0.00 -1.32 -1.26 -5.03 115.64 107.93 2kbi s THR 1779Ca 0.62 0.25 0.00 0.00 -1.21 0.00 0.00 61.69 61.35 2kbi s THR 1779Cb -0.18 -2.96 0.00 0.00 -1.51 0.00 0.00 72.50 67.85 2kbi s THR 1779CO 0.57 -0.33 0.26 -0.62 -2.21 0.00 0.00 174.62 172.29 2kbi n GLU 1780N -3.57 -0.12 -4.02 7.08 1.02 -1.26 -5.11 120.64 114.65 2kbi n GLU 1780Ca 0.07 -0.29 -0.08 0.00 -0.02 0.00 0.00 57.16 56.84 2kbi n GLU 1780Cb 0.57 -0.68 -0.11 0.00 -0.02 0.00 0.00 31.44 31.20 2kbi n GLU 1780CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2kbi s GLU 1781N -0.06 0.41 -0.38 3.49 -1.05 -1.26 -5.12 118.70 114.73 2kbi s GLU 1781Ca 0.00 -0.80 0.03 0.00 -0.15 0.00 0.00 54.97 54.05 2kbi s GLU 1781Cb 0.00 0.13 0.16 0.00 -0.44 0.00 0.00 34.13 33.98 2kbi s GLU 1781CO 0.00 -0.07 0.38 -1.12 0.95 0.00 0.00 175.26 175.40 2kbi s SER 1782N -1.91 1.19 0.05 0.83 0.01 -1.26 -5.16 113.70 107.46 2kbi s SER 1782Ca -0.09 -1.80 0.03 0.00 1.31 0.00 0.00 55.95 55.40 2kbi s SER 1782Cb -0.05 0.46 -0.03 0.00 0.21 0.00 0.00 66.02 66.62 2kbi s SER 1782CO -0.04 -0.24 -0.10 -0.89 0.41 0.00 0.00 173.24 172.38 2kbi s THR 1783N 1.21 0.72 0.07 1.44 2.01 -1.26 -5.17 115.64 114.66 2kbi s THR 1783Ca 0.19 -1.14 0.01 0.00 0.31 0.00 0.00 61.69 61.06 2kbi s THR 1783Cb -0.13 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 2kbi s THR 1783CO -0.04 -0.33 -0.06 -1.83 -0.69 0.00 0.00 174.62 171.68 2kbi s GLU 1784N -1.61 0.66 0.00 4.92 -1.05 -1.26 -5.09 118.70 115.27 2kbi s GLU 1784Ca -0.07 -1.11 0.29 0.00 -0.15 0.00 0.00 54.97 53.93 2kbi s GLU 1784Cb -0.10 -0.10 1.31 0.00 -0.44 0.00 0.00 34.13 34.80 2kbi s GLU 1784CO 0.01 -0.03 1.93 -0.35 0.95 0.00 0.00 175.26 177.78 2kbi n PRO 1785N 0.48 0.33 -4.38 -4.83 -0.04 -1.26 -4.88 135.00 120.42 2kbi n PRO 1785Ca -0.16 -0.05 -0.19 0.00 -0.04 0.00 0.00 63.50 63.06 2kbi n PRO 1785Cb 0.59 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.71 2.21 0.18 1.53 1.43 -1.26 -5.05 118.68 115.02 2kbi s LEU 1786Ca 0.23 -1.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.07 2kbi s LEU 1786Cb 0.20 -0.35 -0.04 0.00 0.03 0.00 0.00 46.19 46.02 2kbi s LEU 1786CO 0.50 -0.51 0.08 -0.55 0.23 0.00 0.00 176.35 176.10 2kbi s SER 1787N -3.37 0.54 0.55 2.29 0.15 -1.26 -5.05 113.70 107.55 2kbi s SER 1787Ca 0.31 -1.29 0.24 0.00 0.70 0.00 0.00 55.95 55.90 2kbi s SER 1787Cb 0.06 0.28 1.51 0.00 -1.71 0.00 0.00 66.02 66.16 2kbi s SER 1787CO 0.11 -0.74 2.14 -0.08 1.20 0.00 0.00 173.24 175.86 2kbi h GLU 1788N 2.68 0.00 -0.29 5.44 4.81 -2.02 -1.82 114.58 123.38 2kbi h GLU 1788Ca -0.36 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.89 2kbi h GLU 1788Cb 1.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2kbi h GLU 1788CO 0.58 0.00 0.19 0.22 -0.73 0.00 0.00 179.01 179.27 2kbi h ASP 1789N 0.00 0.25 -0.37 1.04 3.58 -1.99 -1.43 116.42 117.51 2kbi h ASP 1789Ca 0.06 -0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.35 2kbi h ASP 1789Cb 0.29 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2kbi h ASP 1789CO -0.00 0.18 -0.40 0.44 -2.88 0.00 0.00 179.24 176.58 2kbi h ASP 1790N 0.30 1.00 -0.36 2.28 3.32 -1.74 -0.98 116.42 120.23 2kbi h ASP 1790Ca 0.12 -0.47 -0.04 0.00 0.02 0.00 0.00 57.03 56.65 2kbi h ASP 1790Cb 0.10 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2kbi h ASP 1790CO -0.02 1.27 0.07 -0.26 -1.72 0.00 0.00 179.24 178.57 2kbi h PHE 1791N 0.74 0.62 -0.29 4.55 -1.00 -1.55 -0.72 116.94 119.30 2kbi h PHE 1791Ca 0.06 -0.08 0.02 0.00 2.81 0.00 0.00 57.97 60.77 2kbi h PHE 1791Cb 1.00 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 40.36 2kbi h PHE 1791CO 0.07 0.63 0.15 0.22 -1.61 0.00 0.00 178.31 177.77 2kbi h ASP 1792N 0.43 0.23 -0.44 2.17 3.58 -1.24 -1.81 116.42 119.33 2kbi h ASP 1792Ca 0.11 0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.61 2kbi h ASP 1792Cb 0.34 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.31 2kbi h ASP 1792CO 0.00 0.17 0.21 -0.03 -2.88 0.00 0.00 179.24 176.71 2kbi h MET 1793N 0.31 0.40 0.05 0.28 4.05 -1.14 -0.83 114.93 118.06 2kbi h MET 1793Ca 0.12 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.54 2kbi h MET 1793Cb 0.03 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 30.70 2kbi h MET 1793CO -0.08 0.27 -0.27 0.35 0.23 0.00 0.00 176.91 177.41 2kbi h PHE 1794N 0.42 -0.74 0.00 1.39 3.04 -0.82 -2.41 116.94 117.82 2kbi h PHE 1794Ca 0.19 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.08 2kbi h PHE 1794Cb 0.12 0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 2kbi h PHE 1794CO -0.11 -0.37 -0.41 1.88 -2.02 0.00 0.00 178.31 177.28 2kbi h TYR 1795N -0.45 0.00 -0.15 0.41 0.05 -1.23 -0.13 116.97 115.47 2kbi h TYR 1795Ca 0.05 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 2kbi h TYR 1795Cb 0.51 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 2kbi h TYR 1795CO -0.28 0.41 -0.14 1.49 -1.05 0.00 0.00 178.16 178.59 2kbi h GLU 1796N 0.00 0.25 0.07 4.88 4.81 -0.92 -3.01 114.58 120.66 2kbi h GLU 1796Ca -0.00 -0.06 -0.30 0.00 -0.13 0.00 0.00 59.36 58.87 2kbi h GLU 1796Cb 0.73 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 2kbi h GLU 1796CO 0.05 0.40 -1.57 0.82 -0.73 0.00 0.00 179.01 177.98 2kbi h ILE 1797N 0.23 1.07 -0.69 2.32 1.08 -1.17 -3.40 117.51 116.96 2kbi h ILE 1797Ca 0.05 -2.79 0.13 0.00 -0.39 0.00 0.00 64.86 61.86 2kbi h ILE 1797Cb 0.40 2.64 -0.09 0.00 -3.07 0.00 0.00 36.82 36.70 2kbi h ILE 1797CO 0.02 0.75 0.21 -0.25 -0.69 0.00 0.00 178.15 178.20 2kbi h TRP 1798N 0.04 0.35 0.00 1.37 2.91 -0.88 -2.18 115.95 117.56 2kbi h TRP 1798Ca -0.25 0.04 -0.00 0.00 1.13 0.00 0.00 58.89 59.81 2kbi h TRP 1798Cb 1.99 -0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 30.58 2kbi h TRP 1798CO 0.04 0.01 -0.00 1.49 -1.03 0.00 0.00 178.44 178.94 2kbi h GLU 1799N 0.35 0.00 0.00 2.65 4.81 -1.75 -0.82 114.58 119.81 2kbi h GLU 1799Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2kbi h GLU 1799Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2kbi h GLU 1799CO -0.42 0.00 0.00 0.87 -0.73 0.00 0.00 179.01 178.74 2kbi h LYS 1800N 0.00 0.00 0.00 1.92 1.57 -1.65 -2.43 116.57 115.98 2kbi h LYS 1800Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2kbi h LYS 1800Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 2kbi h LYS 1800CO 0.00 0.00 -1.21 1.19 -0.57 0.00 0.00 179.45 178.86 2kbi n PHE 1801N -2.80 0.00 -3.33 -1.35 3.01 -0.64 -4.79 117.46 107.56 2kbi n PHE 1801Ca 0.02 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.23 2kbi n PHE 1801Cb 0.36 -0.12 -0.08 0.00 -0.01 0.00 0.00 39.48 39.63 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 -1.80 2.50 0.26 4.37 2.03 -0.41 -4.92 116.55 118.58 2kbi n ASP 1802Ca -0.02 -3.18 0.17 0.00 0.52 0.00 0.00 54.79 52.27 2kbi n ASP 1802Cb 0.27 -0.66 0.67 0.00 -0.72 0.00 0.00 41.12 40.69 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 4.08 0.00 0.00 -0.67 0.13 -1.69 -2.28 132.00 131.56 2kbi h PRO 1803Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 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 0.70 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.86 2kbi n GLU 1804N -2.95 0.12 -2.11 0.86 -0.58 -1.26 -4.94 120.64 109.78 2kbi n GLU 1804Ca 0.01 0.08 -0.16 0.00 -0.42 0.00 0.00 57.16 56.67 2kbi n GLU 1804Cb 0.28 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.63 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 -1.43 -0.55 0.30 0.62 0.00 -0.86 -4.89 120.51 113.70 2kbi n ALA 1805Ca 0.08 0.18 0.19 0.00 0.00 0.00 0.00 53.44 53.88 2kbi n ALA 1805Cb 0.25 -1.78 0.94 0.00 0.00 0.00 0.00 19.45 18.86 2kbi n ALA 1805CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2kbi h THR 1806N 0.00 0.00 -0.39 0.00 1.35 -1.92 -3.46 112.91 108.48 2kbi h THR 1806Ca -0.37 -0.13 -0.17 0.00 -0.55 0.00 0.00 66.41 65.19 2kbi h THR 1806Cb 1.22 1.02 -0.07 0.00 -1.73 0.00 0.00 68.15 68.59 2kbi h THR 1806CO 0.47 0.00 -0.15 0.00 -0.25 0.00 0.00 175.52 175.59 2kbi n GLN 1807N -2.88 -0.61 -4.06 4.72 1.13 -1.26 -5.04 117.38 109.39 2kbi n GLN 1807Ca -0.02 0.78 -0.13 0.00 -1.94 0.00 0.00 57.00 55.69 2kbi n GLN 1807Cb 0.13 -4.63 -0.12 0.00 0.11 0.00 0.00 30.24 25.73 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 -2.29 0.48 0.12 1.08 0.08 -1.26 -0.74 117.98 115.46 2kbi s PHE 1808Ca 0.00 -0.34 0.03 0.00 0.12 0.00 0.00 56.93 56.74 2kbi s PHE 1808Cb 0.00 -0.30 -0.04 0.00 -0.57 0.00 0.00 43.02 42.11 2kbi s PHE 1808CO 0.00 -0.07 -0.09 0.96 -0.10 0.00 0.00 175.22 175.92 2kbi s ILE 1809N -0.91 0.97 0.44 0.64 -4.36 -0.97 -4.82 121.20 112.18 2kbi s ILE 1809Ca -0.07 -1.96 -0.22 0.00 -0.26 0.00 0.00 60.65 58.14 2kbi s ILE 1809Cb -0.07 -1.72 -0.09 0.00 1.25 0.00 0.00 42.46 41.83 2kbi s ILE 1809CO -0.00 -0.77 1.04 -1.61 0.24 0.00 0.00 174.94 173.84 2kbi s GLU 1810N -3.64 4.01 0.54 0.37 2.02 -1.26 -0.98 118.70 119.76 2kbi s GLU 1810Ca 0.13 1.42 0.21 0.00 0.02 0.00 0.00 54.97 56.75 2kbi s GLU 1810Cb 0.03 -2.32 1.43 0.00 0.10 0.00 0.00 34.13 33.37 2kbi s GLU 1810CO -0.01 -0.26 2.16 -0.92 0.02 0.00 0.00 175.26 176.24 2kbi h TYR 1811N 2.04 0.00 0.00 1.61 5.03 -1.52 -1.17 116.97 122.96 2kbi h TYR 1811Ca -0.49 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.82 2kbi h TYR 1811Cb 1.21 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.49 2kbi h TYR 1811CO 0.58 0.00 0.00 0.77 -1.32 0.00 0.00 178.16 178.19 2kbi h SER 1812N 0.00 0.00 0.00 -2.11 0.02 -1.93 -3.11 113.55 106.42 2kbi h SER 1812Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2kbi h SER 1812Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2kbi h SER 1812CO -0.00 0.00 -0.17 1.33 -1.14 0.00 0.00 176.83 176.85 2kbi n VAL 1813N -2.43 0.00 -0.23 2.27 0.24 -0.69 -4.72 118.33 112.77 2kbi n VAL 1813Ca 0.00 -0.39 0.14 0.00 -2.04 0.00 0.00 64.34 62.05 2kbi n VAL 1813Cb 0.16 0.90 0.44 0.00 -1.47 0.00 0.00 33.84 33.87 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 0.53 -0.81 1.34 5.85 -1.17 -1.41 115.31 119.64 2kbi h LEU 1814Ca 0.00 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2kbi h LEU 1814Cb 0.00 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2kbi h LEU 1814CO 0.00 0.26 0.45 0.77 -0.34 0.00 0.00 178.44 179.59 2kbi h SER 1815N 0.56 1.00 0.37 1.25 4.64 -1.85 0.45 113.55 119.97 2kbi h SER 1815Ca 0.42 -0.09 -0.30 0.00 -0.47 0.00 0.00 61.79 61.35 2kbi h SER 1815Cb 0.82 -0.26 0.02 0.00 -0.31 0.00 0.00 62.40 62.67 2kbi h SER 1815CO -0.17 0.81 -1.29 -0.78 -0.87 0.00 0.00 176.83 174.52 2kbi h ASP 1816N 1.12 0.68 -0.32 4.97 3.58 -1.71 -3.23 116.42 121.50 2kbi h ASP 1816Ca 0.29 -0.68 0.03 0.00 0.42 0.00 0.00 57.03 57.09 2kbi h ASP 1816Cb 0.02 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 2kbi h ASP 1816CO -0.05 1.52 0.11 0.15 -2.88 0.00 0.00 179.24 178.09 2kbi h PHE 1817N 0.16 0.20 -0.06 0.28 3.57 -1.21 -1.95 116.94 117.93 2kbi h PHE 1817Ca -0.18 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.35 2kbi h PHE 1817Cb 1.99 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.68 2kbi h PHE 1817CO 0.10 0.09 0.24 0.00 -2.23 0.00 0.00 178.31 176.51 2kbi h ALA 1818N 1.20 1.40 0.00 2.41 0.00 -0.97 -1.85 119.26 121.46 2kbi h ALA 1818Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2kbi h ALA 1818Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2kbi h ALA 1818CO -0.14 -0.27 -1.00 -3.47 0.00 0.00 0.00 179.25 174.37 2kbi n ASP 1819N -3.16 0.94 0.21 0.00 2.03 -0.97 -0.52 116.55 115.08 2kbi n ASP 1819Ca -0.01 -0.60 0.12 0.00 0.52 0.00 0.00 54.79 54.83 2kbi n ASP 1819Cb 0.32 1.21 0.23 0.00 -0.72 0.00 0.00 41.12 42.15 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 1.90 1.00 -2.34 -1.67 0.00 -0.57 -3.46 119.26 114.12 2kbi h ALA 1820Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 2kbi h ALA 1820Cb 0.45 0.00 0.16 0.00 0.00 0.00 0.00 17.79 18.40 2kbi h ALA 1820CO 0.00 0.00 0.20 -0.51 0.00 0.00 0.00 179.25 178.94 2kbi s LEU 1821N -5.97 1.78 0.48 0.00 1.43 -1.21 -4.99 118.68 110.19 2kbi s LEU 1821Ca 0.07 1.30 -0.12 0.00 -1.03 0.00 0.00 54.13 54.36 2kbi s LEU 1821Cb 0.06 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.67 2kbi s LEU 1821CO 0.65 -3.03 0.88 -0.44 0.23 0.00 0.00 176.35 174.64 2kbi s SER 1822N -3.40 6.48 0.58 2.29 0.01 -1.26 -4.65 113.70 113.75 2kbi s SER 1822Ca 0.65 1.29 -0.19 0.00 1.31 0.00 0.00 55.95 59.01 2kbi s SER 1822Cb -0.19 -2.40 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 2kbi s SER 1822CO 0.58 -0.55 1.20 -1.61 0.41 0.00 0.00 173.24 173.27 2kbi s GLU 1823N -4.21 3.08 0.00 12.44 2.02 -1.26 -1.48 118.70 129.29 2kbi s GLU 1823Ca 0.54 1.82 0.29 0.00 0.02 0.00 0.00 54.97 57.63 2kbi s GLU 1823Cb -0.10 -1.98 1.23 0.00 0.10 0.00 0.00 34.13 33.37 2kbi s GLU 1823CO 0.36 -1.12 1.89 -0.35 0.02 0.00 0.00 175.26 176.06 2kbi n PRO 1824N -1.46 0.23 -0.22 0.39 -0.04 -1.26 -4.86 135.00 127.78 2kbi n PRO 1824Ca 0.13 -0.04 -0.07 0.00 -0.04 0.00 0.00 63.50 63.48 2kbi n PRO 1824Cb 0.49 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.51 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 1.03-10.20 1.53 3.38 -1.78 -3.45 115.31 105.91 2kbi h LEU 1825Ca 0.00 -0.25 -0.53 0.00 0.09 0.00 0.00 57.88 57.19 2kbi h LEU 1825Cb 0.42 -0.27 0.15 0.00 0.09 0.00 0.00 40.66 41.04 2kbi h LEU 1825CO 0.00 1.03 0.36 0.00 0.09 0.00 0.00 178.44 179.93 2kbi s ARG 1826N -5.16 2.17 -0.30 1.13 1.04 -0.55 -4.88 118.95 112.41 2kbi s ARG 1826Ca -0.12 1.61 0.03 0.00 -1.04 0.00 0.00 55.73 56.22 2kbi s ARG 1826Cb 0.14 -1.85 0.08 0.00 -2.04 0.00 0.00 34.95 31.28 2kbi s ARG 1826CO 0.85 -1.78 -0.01 0.42 -0.04 0.00 0.00 175.30 174.73 2kbi s ILE 1827N -2.21 2.15 -0.36 4.99 1.09 0.32 -4.82 121.20 122.37 2kbi s ILE 1827Ca 0.71 -1.99 -0.33 0.00 -1.10 0.00 0.00 60.65 57.94 2kbi s ILE 1827Cb -0.26 -2.45 -0.10 0.00 -1.06 0.00 0.00 42.46 38.59 2kbi s ILE 1827CO 0.47 -0.36 2.24 0.00 -0.10 0.00 0.00 174.94 177.18 2kbi n ALA 1828N 4.36 1.16 -1.77 9.38 0.00 -1.26 -4.20 120.51 128.17 2kbi n ALA 1828Ca -0.04 -0.18 -0.40 0.00 0.00 0.00 0.00 53.44 52.82 2kbi n ALA 1828Cb 0.42 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.21 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 6.53 3.98 0.10 0.00 2.20 -1.26 -4.16 119.74 127.13 2kbi s LYS 1829Ca 1.08 2.48 -0.31 0.00 -0.36 0.00 0.00 55.97 58.86 2kbi s LYS 1829Cb -0.72 -2.86 -0.08 0.00 -1.51 0.00 0.00 37.83 32.66 2kbi s LYS 1829CO 0.45 -0.60 1.46 -1.25 -0.36 0.00 0.00 175.35 175.04 2kbi s PRO 1830N -2.20 4.28 0.00 4.03 0.04 -1.26 -5.14 135.00 134.75 2kbi s PRO 1830Ca 0.55 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2kbi s PRO 1830Cb -0.45 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 30.77 2kbi s PRO 1830CO 0.60 -0.53 0.41 0.27 0.04 0.00 0.00 177.00 177.78 2kbi n ASN 1831N 4.37 0.70 -0.21 6.66 0.23 -1.26 -4.82 115.26 120.93 2kbi n ASN 1831Ca 0.13 -1.14 0.11 0.00 -0.53 0.00 0.00 54.58 53.14 2kbi n ASN 1831Cb 0.41 0.00 0.40 0.00 -2.08 0.00 0.00 39.78 38.51 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 0.63 -0.28 -3.83 3.07 -1.95 -0.55 115.11 112.20 2kbi h GLN 1832Ca 0.00 -0.04 -0.13 0.00 0.09 0.00 0.00 58.65 58.58 2kbi h GLN 1832Cb 0.34 -0.14 -0.00 0.00 0.08 0.00 0.00 27.48 27.75 2kbi h GLN 1832CO 0.00 0.42 -0.32 0.82 0.09 0.00 0.00 178.83 179.84 2kbi h ILE 1833N 0.65 1.30 -0.60 1.86 2.04 -2.00 -2.95 117.51 117.81 2kbi h ILE 1833Ca 0.37 -1.49 0.03 0.00 1.00 0.00 0.00 64.86 64.77 2kbi h ILE 1833Cb 0.57 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 2kbi h ILE 1833CO -0.14 0.48 0.36 0.28 0.00 0.00 0.00 178.15 179.12 2kbi h SER 1834N 0.44 0.58 -0.29 1.72 0.02 -1.56 -1.35 113.55 113.10 2kbi h SER 1834Ca 0.04 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2kbi h SER 1834Cb 0.89 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.29 2kbi h SER 1834CO 0.08 0.40 0.12 -0.07 -1.14 0.00 0.00 176.83 176.21 2kbi h LEU 1835N 0.71 0.15 -1.62 5.07 3.38 -1.18 -2.08 115.31 119.73 2kbi h LEU 1835Ca 0.25 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 2kbi h LEU 1835Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2kbi h LEU 1835CO -0.11 0.12 -0.11 0.40 0.09 0.00 0.00 178.44 178.83 2kbi h ILE 1836N 0.25 1.12 0.00 1.22 2.04 -1.28 -2.55 117.51 118.31 2kbi h ILE 1836Ca 0.13 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 2kbi h ILE 1836Cb 0.08 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2kbi h ILE 1836CO -0.12 0.17 -0.09 0.78 0.00 0.00 0.00 178.15 178.89 2kbi h ASN 1837N 0.10 0.00 -4.47 1.72 2.35 -0.92 -3.46 115.58 110.91 2kbi h ASN 1837Ca 0.02 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.29 2kbi h ASN 1837Cb 0.27 0.00 0.10 0.00 0.05 0.00 0.00 38.32 38.73 2kbi h ASN 1837CO 0.02 0.01 0.39 -0.04 -1.65 0.00 0.00 177.43 176.15 2kbi s MET 1838N -3.22 2.21 0.00 0.81 -1.94 -0.81 -4.99 119.30 111.36 2kbi s MET 1838Ca 0.06 0.34 0.11 0.00 -1.71 0.00 0.00 55.69 54.50 2kbi s MET 1838Cb 0.05 -1.96 0.66 0.00 2.01 0.00 0.00 34.83 35.60 2kbi s MET 1838CO 0.68 -1.47 1.35 -3.47 -0.01 0.00 0.00 175.02 172.10 2kbi n ASP 1839N -3.28 0.00 -4.57 3.03 2.03 -1.26 -4.95 116.55 107.56 2kbi n ASP 1839Ca 0.07 -1.46 -0.54 0.00 0.52 0.00 0.00 54.79 53.38 2kbi n ASP 1839Cb 0.59 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.91 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 -0.69 2.23 0.00 -2.67 4.77 -1.26 -5.00 117.00 114.38 2kbi n LEU 1840Ca 0.08 0.77 -0.12 0.00 -0.03 0.00 0.00 56.01 56.72 2kbi n LEU 1840Cb 0.04 -1.18 0.08 0.00 -2.33 0.00 0.00 43.42 40.02 2kbi n LEU 1840CO 0.06 -0.54 0.35 -0.81 -1.33 0.00 0.00 177.39 175.11 2kbi n PRO 1841N 6.78 -0.50 -4.32 3.23 -0.04 -1.26 -5.06 135.00 133.83 2kbi n PRO 1841Ca 0.35 -0.81 -0.21 0.00 -0.04 0.00 0.00 63.50 62.78 2kbi n PRO 1841Cb 0.17 -0.54 -0.11 0.00 -0.04 0.00 0.00 33.50 32.98 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 -4.14 1.24 0.08 0.54 -1.94 -1.26 -4.73 119.30 109.10 2kbi s MET 1842Ca 0.30 -1.38 0.21 0.00 -1.71 0.00 0.00 55.69 53.11 2kbi s MET 1842Cb -0.01 -1.28 -0.15 0.00 2.01 0.00 0.00 34.83 35.39 2kbi s MET 1842CO 0.21 0.26 0.76 1.33 -0.01 0.00 0.00 175.02 177.57 2kbi n VAL 1843N 0.34 0.52 -0.11 -6.03 0.24 0.14 -4.57 118.33 108.86 2kbi n VAL 1843Ca -0.14 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 2kbi n VAL 1843Cb 0.57 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 2kbi n VAL 1843CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2kbi n SER 1844N -2.56 0.16 0.00 -1.34 3.41 -1.25 -5.00 113.62 107.04 2kbi n SER 1844Ca -0.05 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 2kbi n SER 1844Cb 0.63 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 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 0.43 1.16 0.00 5.00 0.00 -1.26 -4.84 105.19 105.68 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 1.09 -4.68 1.61 8.00 -1.26 -5.00 116.55 116.32 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 0.13 -0.07 0.00 -0.02 0.00 0.00 41.12 41.17 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 -1.04 2.35 0.00 -1.24 0.52 -1.26 -1.23 118.95 117.05 2kbi s ARG 1847Ca 0.00 -1.44 0.02 0.00 -0.52 0.00 0.00 55.73 53.79 2kbi s ARG 1847Cb 0.00 -2.18 -0.01 0.00 0.52 0.00 0.00 34.95 33.28 2kbi s ARG 1847CO 0.00 0.30 -0.07 0.42 0.02 0.00 0.00 175.30 175.97 2kbi s ILE 1848N -2.34 0.50 0.29 1.52 1.09 -0.15 -0.69 121.20 121.43 2kbi s ILE 1848Ca 0.33 -0.40 -0.29 0.00 -1.10 0.00 0.00 60.65 59.19 2kbi s ILE 1848Cb -0.05 -0.45 -0.09 0.00 -1.06 0.00 0.00 42.46 40.80 2kbi s ILE 1848CO 0.21 0.06 1.09 -2.28 -0.10 0.00 0.00 174.94 173.91 2kbi s HIS 1849N -0.34 3.56 0.16 3.97 5.65 -1.26 -2.29 115.29 124.74 2kbi s HIS 1849Ca 0.01 1.70 -0.27 0.00 0.25 0.00 0.00 55.06 56.75 2kbi s HIS 1849Cb -0.04 -3.26 0.01 0.00 -1.18 0.00 0.00 32.58 28.11 2kbi s HIS 1849CO -0.00 -0.53 1.57 0.00 -0.65 0.00 0.00 174.74 175.12 2kbi h MET 1851N -0.28 0.07 -0.13 0.00 1.85 -1.95 -1.23 114.93 113.27 2kbi h MET 1851Ca 0.16 -0.03 -0.21 0.00 -0.61 0.00 0.00 59.70 59.01 2kbi h MET 1851Cb 0.57 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.60 2kbi h MET 1851CO -0.64 0.45 -0.75 -0.44 -0.40 0.00 0.00 176.91 175.14 2kbi h ASP 1852N 0.06 0.75 0.17 1.39 5.19 -1.82 0.30 116.42 122.46 2kbi h ASP 1852Ca 0.00 -0.49 -0.01 0.00 -0.62 0.00 0.00 57.03 55.92 2kbi h ASP 1852Cb 0.73 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.02 2kbi h ASP 1852CO 0.05 1.26 -0.08 0.40 -3.12 0.00 0.00 179.24 177.76 2kbi h ILE 1853N 0.44 0.85 -0.22 0.35 2.04 -1.12 -1.72 117.51 118.12 2kbi h ILE 1853Ca -0.04 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 65.84 2kbi h ILE 1853Cb 1.35 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 38.23 2kbi h ILE 1853CO 0.14 0.01 -0.25 0.25 0.00 0.00 0.00 178.15 178.31 2kbi h LEU 1854N -0.24 -0.78 -0.21 1.44 5.85 -1.14 -1.33 115.31 118.91 2kbi h LEU 1854Ca -0.02 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.88 2kbi h LEU 1854Cb 0.18 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 2kbi h LEU 1854CO 0.04 -0.28 -0.08 0.15 -0.34 0.00 0.00 178.44 177.92 2kbi h PHE 1855N -0.26 -0.19 -0.83 1.25 3.57 -0.89 -0.02 116.94 119.57 2kbi h PHE 1855Ca 0.13 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.71 2kbi h PHE 1855Cb 0.46 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.26 2kbi h PHE 1855CO -0.39 -0.13 0.51 0.00 -2.23 0.00 0.00 178.31 176.07 2kbi h ALA 1856N 1.15 1.13 -0.22 2.41 0.00 -1.06 -0.12 119.26 122.55 2kbi h ALA 1856Ca 0.11 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 2kbi h ALA 1856Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2kbi h ALA 1856CO -0.24 0.26 -0.50 0.74 0.00 0.00 0.00 179.25 179.51 2kbi h PHE 1857N 0.94 0.73 0.05 0.00 -1.00 -0.74 -3.27 116.94 113.66 2kbi h PHE 1857Ca 0.36 -0.24 -0.23 0.00 2.81 0.00 0.00 57.97 60.66 2kbi h PHE 1857Cb 0.15 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 2kbi h PHE 1857CO -0.04 0.97 -1.07 1.79 -1.61 0.00 0.00 178.31 178.36 2kbi h THR 1858N 0.47 1.57 -0.98 -1.55 1.35 -0.78 -3.33 112.91 109.66 2kbi h THR 1858Ca 0.02 -3.05 0.20 0.00 -0.55 0.00 0.00 66.41 63.03 2kbi h THR 1858Cb 1.04 2.78 -0.11 0.00 -1.73 0.00 0.00 68.15 70.13 2kbi h THR 1858CO 0.10 0.88 0.57 0.50 -0.25 0.00 0.00 175.52 177.33 2kbi h LYS 1859N 0.06 0.66 -0.12 4.72 3.64 -1.07 -0.25 116.57 124.22 2kbi h LYS 1859Ca -0.07 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2kbi h LYS 1859Cb 1.78 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 33.39 2kbi h LYS 1859CO 0.16 0.44 -0.53 0.00 -2.27 0.00 0.00 179.45 177.25 2kbi h ARG 1860N 0.68 -0.57 -0.40 1.90 3.08 -1.67 0.25 114.38 117.67 2kbi h ARG 1860Ca 0.58 0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.60 2kbi h ARG 1860Cb 0.96 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 2kbi h ARG 1860CO -0.41 -0.38 -0.04 0.28 -1.07 0.00 0.00 179.97 178.35 2kbi h VAL 1861N -0.59 1.23 0.00 2.04 2.07 -1.34 -2.38 116.25 117.28 2kbi h VAL 1861Ca 0.04 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2kbi h VAL 1861Cb 0.68 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2kbi h VAL 1861CO -0.43 0.33 0.00 0.18 0.02 0.00 0.00 177.57 177.68 2kbi n LEU 1862N -4.22 0.00 0.00 2.57 4.77 -0.25 -4.87 117.00 115.01 2kbi n LEU 1862Ca 0.02 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2kbi n LEU 1862Cb 0.30 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2kbi n LEU 1862CO 0.41 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 2kbi n GLY 1863N 0.05 1.52 3.92 -0.72 0.00 -0.90 -4.71 105.19 104.35 2kbi n GLY 1863Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.22 0.00 0.00 1.61 1.02 0.05 -5.00 120.64 118.09 2kbi n GLU 1864Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kbi n GLU 1864Cb 0.00 -3.53 0.00 0.00 -0.02 0.00 0.00 31.44 27.89 2kbi n GLU 1864CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74