#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wat s GLY 1768N 0.00 -0.28 0.04 -0.02 0.00 -1.06 -4.93 107.32 101.08 2wat s GLY 1768Ca 0.00 1.99 0.03 0.00 0.00 0.00 0.00 44.72 46.74 2wat s GLY 1768CO 0.00 1.01 -0.09 0.54 0.00 0.00 0.00 173.10 174.55 2wat s VAL 1769N -1.18 0.69 -0.02 1.40 0.11 -1.26 -0.92 120.40 119.22 2wat s VAL 1769Ca -0.02 -1.04 -0.02 0.00 -2.93 0.00 0.00 61.98 57.97 2wat s VAL 1769Cb -0.00 -0.71 0.01 0.00 -1.53 0.00 0.00 36.38 34.14 2wat s VAL 1769CO 0.01 -0.27 0.07 -0.83 -3.33 0.00 0.00 175.10 170.75 2wat s GLY 1770N -1.44 -0.05 0.01 6.54 0.00 0.11 -3.81 107.32 108.68 2wat s GLY 1770Ca -0.06 0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.85 2wat s GLY 1770CO 0.01 0.15 -0.05 0.54 0.00 0.00 0.00 173.10 173.75 2wat s VAL 1771N 0.01 0.37 -0.08 1.40 0.11 -1.26 -0.17 120.40 120.78 2wat s VAL 1771Ca -0.00 -0.49 -0.07 0.00 -2.93 0.00 0.00 61.98 58.48 2wat s VAL 1771Cb -0.01 -0.37 0.02 0.00 -1.53 0.00 0.00 36.38 34.49 2wat s VAL 1771CO 0.00 -0.09 0.22 -0.62 -3.33 0.00 0.00 175.10 171.28 2wat s ASP 1772N -0.63 -0.23 -0.04 3.54 2.15 -0.74 -4.67 116.67 116.06 2wat s ASP 1772Ca -0.03 0.44 0.06 0.00 0.43 0.00 0.00 52.55 53.45 2wat s ASP 1772Cb -0.05 0.44 -0.01 0.00 -0.30 0.00 0.00 42.92 43.00 2wat s ASP 1772CO -0.00 -0.09 -0.23 0.54 -0.17 0.00 0.00 175.17 175.22 2wat s VAL 1773N 0.25 1.85 -0.00 1.11 0.11 -1.26 -1.21 120.40 121.24 2wat s VAL 1773Ca -0.01 -0.97 0.02 0.00 -2.93 0.00 0.00 61.98 58.08 2wat s VAL 1773Cb -0.03 -1.56 -0.01 0.00 -1.53 0.00 0.00 36.38 33.26 2wat s VAL 1773CO -0.01 0.52 -0.06 -1.61 -3.33 0.00 0.00 175.10 170.62 2wat s GLU 1774N -0.28 0.46 0.33 1.54 0.41 0.16 -4.98 118.70 116.34 2wat s GLU 1774Ca 0.01 -0.22 -0.29 0.00 -0.41 0.00 0.00 54.97 54.06 2wat s GLU 1774Cb -0.11 -0.44 -0.11 0.00 -1.78 0.00 0.00 34.13 31.69 2wat s GLU 1774CO 0.02 0.12 1.41 -0.51 -0.49 0.00 0.00 175.26 175.80 2wat s LEU 1775N -0.19 4.38 0.32 1.80 1.02 -1.26 0.11 118.68 124.86 2wat s LEU 1775Ca 0.02 2.82 0.03 0.00 0.02 0.00 0.00 54.13 57.02 2wat s LEU 1775Cb -0.02 -3.65 0.61 0.00 0.02 0.00 0.00 46.19 43.14 2wat s LEU 1775CO -0.00 -0.70 1.91 0.40 0.02 0.00 0.00 176.35 177.98 2wat h ILE 1776N 3.13 1.02 0.00 -0.59 1.08 -1.86 -1.73 117.51 118.54 2wat h ILE 1776Ca -0.49 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 63.66 2wat h ILE 1776Cb 1.23 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 2wat h ILE 1776CO 0.68 0.17 0.00 0.35 -0.69 0.00 0.00 178.15 178.66 2wat n THR 1777N -4.51 0.02 0.26 -0.27 -2.24 -1.26 -2.77 114.28 103.51 2wat n THR 1777Ca 0.14 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.08 2wat n THR 1777Cb 0.25 -0.61 0.50 0.00 -2.10 0.00 0.00 70.33 68.38 2wat n THR 1777CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2wat h SER 1778N 0.00 0.00 -3.84 3.42 4.64 -1.69 -3.41 113.55 112.67 2wat h SER 1778Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 2wat h SER 1778Cb 0.02 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.95 2wat h SER 1778CO 0.00 0.02 -0.43 -0.63 -0.87 0.00 0.00 176.83 174.92 2wat s ILE 1779N -3.51 5.27 -0.51 0.95 -1.09 -1.11 -5.04 121.20 116.15 2wat s ILE 1779Ca 0.03 0.30 -0.17 0.00 -2.23 0.00 0.00 60.65 58.59 2wat s ILE 1779Cb 0.08 -3.59 0.09 0.00 -1.58 0.00 0.00 42.46 37.46 2wat s ILE 1779CO 0.59 0.22 0.51 0.21 -1.23 0.00 0.00 174.94 175.24 2wat s ASN 1780N 1.72 6.18 0.56 3.58 3.84 -1.26 -4.92 114.94 124.63 2wat s ASN 1780Ca 0.10 -1.36 0.37 0.00 0.21 0.00 0.00 52.86 52.18 2wat s ASN 1780Cb -0.16 -2.23 2.03 0.00 -0.55 0.00 0.00 41.25 40.35 2wat s ASN 1780CO 0.11 -0.81 2.15 0.58 -2.79 0.00 0.00 177.10 176.34 2wat h VAL 1781N 5.83 0.00 0.00 -5.21 2.07 -1.96 -2.04 116.25 114.94 2wat h VAL 1781Ca -0.29 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2wat h VAL 1781Cb 1.10 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2wat h VAL 1781CO 0.96 0.00 -0.54 -0.33 0.02 0.00 0.00 177.57 177.68 2wat h GLU 1782N 0.00 0.00 -5.71 1.57 3.07 -2.04 -3.41 114.58 108.05 2wat h GLU 1782Ca 0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.24 2wat h GLU 1782Cb 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.84 2wat h GLU 1782CO 0.00 0.00 2.06 -1.71 -1.40 0.00 0.00 179.01 177.96 2wat n ASN 1783N -2.80 4.58 -0.15 1.42 2.85 -0.77 -4.80 115.26 115.59 2wat n ASN 1783Ca 0.02 -2.88 0.12 0.00 -0.11 0.00 0.00 54.58 51.73 2wat n ASN 1783Cb 0.53 -1.74 0.46 0.00 1.24 0.00 0.00 39.78 40.27 2wat n ASN 1783CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2wat h ASP 1784N 7.85 0.47 -0.10 1.20 3.32 -1.85 -1.66 116.42 125.65 2wat h ASP 1784Ca 0.42 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.47 2wat h ASP 1784Cb 0.87 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 2wat h ASP 1784CO 1.44 0.27 0.03 0.74 -1.72 0.00 0.00 179.24 180.00 2wat h THR 1785N 0.52 1.18 -0.27 0.35 2.02 -1.98 0.17 112.91 114.90 2wat h THR 1785Ca 0.33 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 2wat h THR 1785Cb 0.58 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2wat h THR 1785CO -0.11 0.16 0.15 0.15 0.37 0.00 0.00 175.52 176.24 2wat h PHE 1786N -0.03 0.37 0.07 3.16 3.57 -1.73 -0.61 116.94 121.73 2wat h PHE 1786Ca 0.03 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2wat h PHE 1786Cb 0.23 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.85 2wat h PHE 1786CO -0.00 0.30 -0.03 0.82 -2.23 0.00 0.00 178.31 177.17 2wat h ILE 1787N 0.33 0.96 -0.91 1.41 1.08 -1.25 -2.07 117.51 117.07 2wat h ILE 1787Ca 0.10 -0.10 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 2wat h ILE 1787Cb 0.05 1.03 -0.06 0.00 -3.07 0.00 0.00 36.82 34.77 2wat h ILE 1787CO -0.02 0.02 0.59 -0.08 -0.69 0.00 0.00 178.15 177.98 2wat h GLU 1788N -0.13 0.96 0.00 2.37 4.81 -0.59 -1.32 114.58 120.67 2wat h GLU 1788Ca -0.01 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 2wat h GLU 1788Cb 0.11 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2wat h GLU 1788CO 0.02 0.63 -0.53 -0.09 -0.73 0.00 0.00 179.01 178.30 2wat h ARG 1789N 0.99 0.00 0.00 1.92 2.43 -0.77 -3.37 114.38 115.58 2wat h ARG 1789Ca 0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 2wat h ARG 1789Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2wat h ARG 1789CO -0.16 0.53 -0.54 0.09 -1.51 0.00 0.00 179.97 178.39 2wat n ASN 1790N -3.56 1.54 -4.18 -3.80 3.02 -0.81 -4.03 115.26 103.44 2wat n ASN 1790Ca -0.00 -0.39 -0.27 0.00 -0.03 0.00 0.00 54.58 53.89 2wat n ASN 1790Cb 0.61 1.07 -0.16 0.00 -0.61 0.00 0.00 39.78 40.69 2wat n ASN 1790CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2wat s PHE 1791N -1.69 1.81 0.73 3.10 0.08 -0.53 -3.09 117.98 118.38 2wat s PHE 1791Ca 0.00 -0.43 -0.11 0.00 0.12 0.00 0.00 56.93 56.52 2wat s PHE 1791Cb 0.03 -1.19 0.03 0.00 -0.57 0.00 0.00 43.02 41.32 2wat s PHE 1791CO 0.16 -0.10 1.07 0.95 -0.10 0.00 0.00 175.22 177.21 2wat s THR 1792N -0.24 3.72 0.29 0.64 -4.23 -1.26 -4.71 115.64 109.85 2wat s THR 1792Ca 0.02 0.56 0.03 0.00 -1.18 0.00 0.00 61.69 61.12 2wat s THR 1792Cb -0.10 -3.18 0.29 0.00 1.34 0.00 0.00 72.50 70.85 2wat s THR 1792CO 0.01 -0.73 1.83 -0.65 -0.54 0.00 0.00 174.62 174.54 2wat h PRO 1793N -0.90 0.90 0.00 3.99 0.11 -1.97 -0.90 132.00 133.22 2wat h PRO 1793Ca -0.44 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2wat h PRO 1793Cb 1.22 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2wat h PRO 1793CO 0.54 0.59 -0.27 -0.56 -0.21 0.00 0.00 178.00 178.10 2wat h GLN 1794N 0.92 0.00 -0.22 1.05 -0.00 -1.99 -1.00 115.11 113.87 2wat h GLN 1794Ca 0.51 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 59.05 2wat h GLN 1794Cb 0.60 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.08 2wat h GLN 1794CO -0.29 0.27 -0.31 0.93 -0.00 0.00 0.00 178.83 179.43 2wat h GLU 1795N 0.00 0.60 -0.84 0.06 5.08 -1.59 -2.43 114.58 115.47 2wat h GLU 1795Ca -0.00 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 2wat h GLU 1795Cb 1.01 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 2wat h GLU 1795CO 0.03 0.96 0.43 0.82 -1.00 0.00 0.00 179.01 180.25 2wat h ILE 1796N 0.29 1.25 -0.33 3.13 2.04 -0.95 -0.76 117.51 122.18 2wat h ILE 1796Ca 0.02 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 2wat h ILE 1796Cb 0.89 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2wat h ILE 1796CO 0.07 0.29 0.01 -0.08 0.00 0.00 0.00 178.15 178.45 2wat h GLU 1797N 1.18 0.57 0.65 2.37 4.81 -1.20 -0.58 114.58 122.37 2wat h GLU 1797Ca 0.29 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2wat h GLU 1797Cb 0.07 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.40 2wat h GLU 1797CO -0.04 0.69 -0.31 -0.92 -0.73 0.00 0.00 179.01 177.70 2wat h TYR 1798N 0.38 -0.81 -0.87 0.92 3.20 -1.14 -2.89 116.97 115.76 2wat h TYR 1798Ca 0.09 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.98 2wat h TYR 1798Cb 0.42 0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.91 2wat h TYR 1798CO 0.03 -0.49 0.56 0.00 -1.64 0.00 0.00 178.16 176.63 2wat h SER 1800N 1.09 0.00 -0.02 0.00 0.02 -1.06 -2.52 113.55 111.06 2wat h SER 1800Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2wat h SER 1800Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2wat h SER 1800CO -0.12 0.00 -0.18 0.00 -1.14 0.00 0.00 176.83 175.39 2wat n ALA 1801N -1.96 2.87 -1.90 3.77 0.00 -0.37 -4.93 120.51 117.98 2wat n ALA 1801Ca -0.02 -0.65 -0.31 0.00 0.00 0.00 0.00 53.44 52.46 2wat n ALA 1801Cb 0.11 -0.74 0.01 0.00 0.00 0.00 0.00 19.45 18.82 2wat n ALA 1801CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2wat s GLN 1802N -2.05 3.56 0.19 0.00 -1.52 -0.95 -4.99 119.66 113.91 2wat s GLN 1802Ca 0.22 0.69 -0.12 0.00 -1.95 0.00 0.00 55.36 54.21 2wat s GLN 1802Cb 0.18 -2.10 0.19 0.00 -0.22 0.00 0.00 33.01 31.06 2wat s GLN 1802CO 0.38 -0.56 1.76 -1.35 -0.25 0.00 0.00 175.29 175.27 2wat h PRO 1803N -0.29 0.42 -4.56 2.91 0.11 -1.93 -3.32 132.00 125.33 2wat h PRO 1803Ca -0.44 -0.03 -0.69 0.00 0.11 0.00 0.00 66.00 64.96 2wat h PRO 1803Cb 1.19 -0.09 -0.35 0.00 0.11 0.00 0.00 31.00 31.86 2wat h PRO 1803CO 0.62 0.28 -0.60 0.45 -0.21 0.00 0.00 178.00 178.54 2wat s SER 1804N -5.43 5.12 0.11 -2.05 0.15 -1.26 -4.99 113.70 105.34 2wat s SER 1804Ca -0.13 -1.94 -0.17 0.00 0.70 0.00 0.00 55.95 54.41 2wat s SER 1804Cb 0.15 -1.78 -0.05 0.00 -1.71 0.00 0.00 66.02 62.63 2wat s SER 1804CO 0.74 -0.47 1.57 0.58 1.20 0.00 0.00 173.24 176.86 2wat h VAL 1805N 6.42 1.24 -0.63 4.45 2.07 -1.78 -1.66 116.25 126.36 2wat h VAL 1805Ca -0.13 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 2wat h VAL 1805Cb 1.04 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 2wat h VAL 1805CO 0.64 0.28 0.33 -0.61 0.02 0.00 0.00 177.57 178.24 2wat h GLN 1806N 0.37 0.90 -0.57 1.57 4.15 -1.94 -1.78 115.11 117.80 2wat h GLN 1806Ca 0.10 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 2wat h GLN 1806Cb 0.37 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 2wat h GLN 1806CO 0.01 0.69 0.08 1.03 -1.93 0.00 0.00 178.83 178.71 2wat h SER 1807N 0.87 0.88 -0.31 -0.69 0.87 -1.83 -1.38 113.55 111.95 2wat h SER 1807Ca 0.22 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 2wat h SER 1807Cb 0.07 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 2wat h SER 1807CO -0.03 0.89 0.02 -1.28 -0.53 0.00 0.00 176.83 175.89 2wat h SER 1808N 0.87 0.52 -0.67 6.23 0.87 -0.95 -1.06 113.55 119.36 2wat h SER 1808Ca 0.18 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 2wat h SER 1808Cb 0.40 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 2wat h SER 1808CO 0.01 0.68 0.39 -0.26 -0.53 0.00 0.00 176.83 177.13 2wat h PHE 1809N 0.34 0.90 -0.84 2.24 0.04 -1.21 -0.98 116.94 117.43 2wat h PHE 1809Ca 0.09 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.86 2wat h PHE 1809Cb 0.41 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.22 2wat h PHE 1809CO 0.03 0.62 0.56 0.00 -0.60 0.00 0.00 178.31 178.92 2wat h ALA 1810N 1.20 1.07 -0.47 2.45 0.00 -1.08 0.12 119.26 122.55 2wat h ALA 1810Ca 0.24 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2wat h ALA 1810Cb -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2wat h ALA 1810CO -0.04 0.48 -0.02 0.78 0.00 0.00 0.00 179.25 180.44 2wat h GLY 1811N 1.14 0.91 1.01 0.00 0.00 -0.83 -0.86 103.07 104.44 2wat h GLY 1811Ca 0.31 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 2wat h GLY 1811CO -0.07 0.63 0.22 -0.84 0.00 0.00 0.00 176.54 176.48 2wat h THR 1812N 0.69 1.24 -0.43 4.70 2.02 -0.85 -1.17 112.91 119.12 2wat h THR 1812Ca 0.13 -0.79 0.02 0.00 0.77 0.00 0.00 66.41 66.54 2wat h THR 1812Cb 0.54 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 2wat h THR 1812CO 0.03 0.30 0.24 -0.25 0.37 0.00 0.00 175.52 176.22 2wat h TRP 1813N 0.88 0.46 -0.91 3.16 2.91 -0.58 -1.11 115.95 120.75 2wat h TRP 1813Ca 0.20 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.25 2wat h TRP 1813Cb 0.25 -0.14 -0.05 0.00 -0.51 0.00 0.00 29.16 28.71 2wat h TRP 1813CO 0.02 0.26 0.61 0.77 -1.03 0.00 0.00 178.44 179.06 2wat h SER 1814N 0.49 1.04 -0.60 2.65 0.02 -0.87 -1.71 113.55 114.58 2wat h SER 1814Ca 0.17 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2wat h SER 1814Cb 0.03 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 2wat h SER 1814CO -0.09 0.75 0.30 0.00 -1.14 0.00 0.00 176.83 176.65 2wat h ALA 1815N 1.34 0.78 -0.48 3.77 0.00 -0.78 0.11 119.26 123.99 2wat h ALA 1815Ca 0.34 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2wat h ALA 1815Cb -0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 2wat h ALA 1815CO -0.08 0.33 0.29 0.87 0.00 0.00 0.00 179.25 180.66 2wat h LYS 1816N 0.82 0.55 -0.43 0.00 1.57 -0.70 0.22 116.57 118.61 2wat h LYS 1816Ca 0.21 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 2wat h LYS 1816Cb 0.10 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2wat h LYS 1816CO -0.03 0.37 -0.09 0.93 -0.57 0.00 0.00 179.45 180.06 2wat h GLU 1817N 0.57 0.81 0.08 3.15 4.39 -0.94 -1.37 114.58 121.26 2wat h GLU 1817Ca 0.19 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 2wat h GLU 1817Cb 0.02 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2wat h GLU 1817CO -0.09 0.92 -0.04 0.00 -1.16 0.00 0.00 179.01 178.65 2wat h ALA 1818N 0.86 -0.10 -0.63 3.43 0.00 -0.55 -1.53 119.26 120.74 2wat h ALA 1818Ca 0.11 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.09 2wat h ALA 1818Cb 0.61 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 2wat h ALA 1818CO 0.04 -0.55 0.23 0.28 0.00 0.00 0.00 179.25 179.26 2wat h VAL 1819N -0.12 0.75 -0.53 0.00 2.07 -0.86 -2.21 116.25 115.33 2wat h VAL 1819Ca -0.01 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.38 2wat h VAL 1819Cb 0.10 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 2wat h VAL 1819CO 0.02 0.08 0.34 0.15 0.02 0.00 0.00 177.57 178.17 2wat h PHE 1820N 0.41 0.64 0.00 1.57 3.57 -0.91 -2.20 116.94 120.02 2wat h PHE 1820Ca 0.32 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 2wat h PHE 1820Cb 0.42 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 2wat h PHE 1820CO -0.17 0.38 -0.14 0.87 -2.23 0.00 0.00 178.31 177.02 2wat h LYS 1821N 0.68 0.00 0.00 1.11 1.57 -0.78 -2.33 116.57 116.83 2wat h LYS 1821Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2wat h LYS 1821Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2wat h LYS 1821CO -0.07 0.14 -0.00 0.66 -0.57 0.00 0.00 179.45 179.61 2wat h SER 1822N 0.00 0.00 0.70 0.86 4.64 -0.82 -3.29 113.55 115.64 2wat h SER 1822Ca -0.00 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2wat h SER 1822Cb 0.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 2wat h SER 1822CO 0.02 0.00 -0.58 -0.07 -0.87 0.00 0.00 176.83 175.33 2wat h LEU 1823N 0.00 0.00 -1.77 5.97 3.38 -1.25 -3.38 115.31 118.27 2wat h LEU 1823Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2wat h LEU 1823Cb 0.80 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.62 2wat h LEU 1823CO 0.00 0.58 -0.31 0.61 0.09 0.00 0.00 178.44 179.41 2wat n GLY 1824N 0.30 0.14 3.45 0.83 0.00 -1.24 -4.93 105.19 103.74 2wat n GLY 1824Ca -0.01 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 2wat n GLY 1824CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wat s VAL 1825N -3.14 1.14 0.26 1.61 -7.23 -1.26 -5.01 120.40 106.76 2wat s VAL 1825Ca 0.02 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.95 2wat s VAL 1825Cb -0.01 -2.77 -0.09 0.00 0.56 0.00 0.00 36.38 34.07 2wat s VAL 1825CO 0.29 0.00 0.85 -0.75 -0.31 0.00 0.00 175.10 175.18 2wat s LYS 1826N -3.89 4.51 0.29 4.82 2.20 -1.26 -5.04 119.74 121.38 2wat s LYS 1826Ca 0.36 1.18 -0.29 0.00 -0.36 0.00 0.00 55.97 56.87 2wat s LYS 1826Cb 0.09 -2.96 -0.09 0.00 -1.51 0.00 0.00 37.83 33.35 2wat s LYS 1826CO 0.15 0.39 1.09 0.45 -0.36 0.00 0.00 175.35 177.08 2wat s SER 1827N -1.50 7.21 0.00 1.43 0.15 -1.26 -4.93 113.70 114.80 2wat s SER 1827Ca 0.44 2.24 0.30 0.00 0.70 0.00 0.00 55.95 59.63 2wat s SER 1827Cb -0.20 -2.62 1.42 0.00 -1.71 0.00 0.00 66.02 62.91 2wat s SER 1827CO 0.24 -0.18 1.98 0.18 1.20 0.00 0.00 173.24 176.66 2wat n LEU 1828N 1.04 0.25 0.00 3.45 4.77 -1.26 -4.99 117.00 120.26 2wat n LEU 1828Ca -0.00 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2wat n LEU 1828Cb 0.45 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2wat n LEU 1828CO 0.53 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2wat n GLY 1829N 1.25 3.83 0.38 -0.72 0.00 -1.26 -4.76 105.19 103.91 2wat n GLY 1829Ca 0.15 -1.60 0.20 0.00 0.00 0.00 0.00 46.02 44.77 2wat n GLY 1829CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wat h GLY 1830N 0.00 0.00 -1.82 -0.02 0.00 -2.05 -1.88 103.07 97.30 2wat h GLY 1830Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wat h GLY 1830CO 0.00 0.00 -0.03 0.61 0.00 0.00 0.00 176.54 177.12 2wat n GLY 1831N -1.48 0.88 3.76 4.60 0.00 -1.26 -4.98 105.19 106.70 2wat n GLY 1831Ca 0.07 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 2wat n GLY 1831CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wat s ALA 1832N -1.97 3.51 0.58 4.61 0.00 -0.71 -4.97 121.76 122.81 2wat s ALA 1832Ca 0.27 1.20 -0.19 0.00 0.00 0.00 0.00 51.96 53.23 2wat s ALA 1832Cb 0.19 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 2wat s ALA 1832CO 0.31 -0.58 1.19 0.00 0.00 0.00 0.00 175.76 176.67 2wat s ALA 1833N -0.69 2.58 -0.18 0.00 0.00 -1.26 -4.97 121.76 117.24 2wat s ALA 1833Ca 0.52 0.96 0.16 0.00 0.00 0.00 0.00 51.96 53.60 2wat s ALA 1833Cb -0.38 -3.43 0.40 0.00 0.00 0.00 0.00 23.12 19.71 2wat s ALA 1833CO 0.47 -1.06 1.28 1.28 0.00 0.00 0.00 175.76 177.72 2wat n LEU 1834N -1.52 3.06 0.25 0.00 4.77 -1.26 -4.70 117.00 117.61 2wat n LEU 1834Ca 0.13 -3.28 0.09 0.00 -0.03 0.00 0.00 56.01 52.92 2wat n LEU 1834Cb 0.50 -0.50 0.66 0.00 -2.33 0.00 0.00 43.42 41.74 2wat n LEU 1834CO 0.44 0.88 0.99 0.50 -1.33 0.00 0.00 177.39 178.86 2wat h LYS 1835N 0.77 0.00 0.00 3.23 3.64 -1.68 -2.53 116.57 120.00 2wat h LYS 1835Ca 0.03 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2wat h LYS 1835Cb 1.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2wat h LYS 1835CO 0.11 0.11 -0.03 -0.44 -2.27 0.00 0.00 179.45 176.93 2wat h ASP 1836N 0.00 0.00 -3.26 4.20 3.32 -1.86 -3.38 116.42 115.44 2wat h ASP 1836Ca -0.00 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 56.31 2wat h ASP 1836Cb 0.22 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.53 2wat h ASP 1836CO 0.01 0.03 -0.32 -0.63 -1.72 0.00 0.00 179.24 176.62 2wat s ILE 1837N -3.90 5.04 -0.17 0.35 1.01 -0.96 -0.34 121.20 122.24 2wat s ILE 1837Ca -0.01 -1.28 -0.07 0.00 0.00 0.00 0.00 60.65 59.29 2wat s ILE 1837Cb 0.11 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 2wat s ILE 1837CO 0.52 -0.67 0.05 -0.70 0.00 0.00 0.00 174.94 174.13 2wat s GLU 1838N 1.59 3.86 -0.32 2.79 2.12 -0.18 -4.84 118.70 123.71 2wat s GLU 1838Ca 0.04 -0.37 -0.16 0.00 0.36 0.00 0.00 54.97 54.84 2wat s GLU 1838Cb -0.26 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 2wat s GLU 1838CO 0.05 0.31 0.42 0.42 -0.54 0.00 0.00 175.26 175.91 2wat s ILE 1839N 0.25 5.12 -0.09 -3.70 -1.09 -1.26 -1.05 121.20 119.38 2wat s ILE 1839Ca 0.03 0.31 -0.01 0.00 -2.23 0.00 0.00 60.65 58.75 2wat s ILE 1839Cb -0.13 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.89 2wat s ILE 1839CO 0.01 -0.05 -0.02 0.68 -1.23 0.00 0.00 174.94 174.32 2wat s VAL 1840N 2.16 4.12 -0.01 2.92 -7.23 0.50 -4.78 120.40 118.08 2wat s VAL 1840Ca 0.15 -0.32 0.07 0.00 -1.81 0.00 0.00 61.98 60.08 2wat s VAL 1840Cb -0.16 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.03 2wat s VAL 1840CO 0.12 0.59 -0.23 -0.13 -0.31 0.00 0.00 175.10 175.14 2wat s ARG 1841N -0.75 2.12 -0.40 4.82 1.81 -1.26 0.18 118.95 125.47 2wat s ARG 1841Ca 0.12 -0.93 0.01 0.00 -1.72 0.00 0.00 55.73 53.21 2wat s ARG 1841Cb -0.11 -2.11 0.12 0.00 -0.45 0.00 0.00 34.95 32.40 2wat s ARG 1841CO 0.02 0.56 0.19 0.08 -0.68 0.00 0.00 175.30 175.47 2wat s VAL 1842N -0.71 1.32 0.00 3.52 1.01 -1.26 -5.03 120.40 119.26 2wat s VAL 1842Ca 0.11 -2.24 0.00 0.00 0.00 0.00 0.00 61.98 59.85 2wat s VAL 1842Cb -0.10 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2wat s VAL 1842CO 0.01 -0.82 0.00 -3.20 0.00 0.00 0.00 175.10 171.09 2wat n ASN 1843N 3.93 0.00 0.00 3.32 5.15 -1.26 -0.34 115.26 126.06 2wat n ASN 1843Ca 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 2wat n ASN 1843Cb 0.37 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.62 2wat n ASN 1843CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2wat n LYS 1844N 0.00 0.00 -4.42 1.20 4.76 -1.26 -4.94 118.16 113.51 2wat n LYS 1844Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 2wat n LYS 1844Cb 0.00 -3.17 -0.07 0.00 -1.84 0.00 0.00 35.03 29.96 2wat n LYS 1844CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2wat s ASN 1845N -2.72 4.26 0.61 4.39 0.01 0.54 -5.13 114.94 116.89 2wat s ASN 1845Ca 0.00 -1.40 -0.18 0.00 -0.71 0.00 0.00 52.86 50.57 2wat s ASN 1845Cb 0.00 0.13 -0.03 0.00 0.41 0.00 0.00 41.25 41.76 2wat s ASN 1845CO 0.00 -0.77 1.17 0.00 -1.51 0.00 0.00 177.10 175.99 2wat s ALA 1846N -2.77 2.52 0.53 0.60 0.00 -1.26 -4.53 121.76 116.85 2wat s ALA 1846Ca 0.24 0.88 -0.19 0.00 0.00 0.00 0.00 51.96 52.89 2wat s ALA 1846Cb 0.03 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 2wat s ALA 1846CO 0.13 -1.16 1.08 -1.25 0.00 0.00 0.00 175.76 174.57 2wat s PRO 1847N -3.50 3.53 0.21 0.00 0.05 -1.26 -4.23 135.00 129.80 2wat s PRO 1847Ca 0.74 1.45 0.07 0.00 0.05 0.00 0.00 61.00 63.31 2wat s PRO 1847Cb -0.27 -2.05 -0.05 0.00 0.05 0.00 0.00 34.50 32.18 2wat s PRO 1847CO 0.34 -0.67 -0.11 0.00 0.05 0.00 0.00 177.00 176.61 2wat s ALA 1848N -1.95 1.97 -0.11 8.56 0.00 0.13 -4.55 121.76 125.80 2wat s ALA 1848Ca 0.69 -1.68 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 2wat s ALA 1848Cb -0.20 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 2wat s ALA 1848CO 0.25 -0.00 -0.04 0.08 0.00 0.00 0.00 175.76 176.04 2wat s VAL 1849N -3.07 3.87 -0.11 0.00 1.01 -1.26 -0.37 120.40 120.47 2wat s VAL 1849Ca 0.23 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 2wat s VAL 1849Cb 0.01 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.77 2wat s VAL 1849CO 0.07 0.55 -0.07 -1.61 0.00 0.00 0.00 175.10 174.04 2wat s GLU 1850N -0.26 1.42 -0.01 2.72 2.02 -0.21 -4.91 118.70 119.46 2wat s GLU 1850Ca 0.04 -0.23 -0.13 0.00 0.02 0.00 0.00 54.97 54.68 2wat s GLU 1850Cb -0.13 -1.55 -0.05 0.00 0.10 0.00 0.00 34.13 32.50 2wat s GLU 1850CO 0.02 -0.28 0.36 -0.51 0.02 0.00 0.00 175.26 174.87 2wat s LEU 1851N 1.73 4.45 0.32 1.80 1.43 -1.26 -1.01 118.68 126.14 2wat s LEU 1851Ca 0.05 0.86 0.03 0.00 -1.03 0.00 0.00 54.13 54.03 2wat s LEU 1851Cb -0.13 -2.53 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 2wat s LEU 1851CO -0.08 0.33 0.08 -1.00 0.23 0.00 0.00 176.35 175.91 2wat s HIS 1852N -1.10 1.81 0.00 0.29 3.76 0.54 -4.61 115.29 115.97 2wat s HIS 1852Ca 0.23 -1.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.05 2wat s HIS 1852Cb -0.16 -1.14 0.00 0.00 1.11 0.00 0.00 32.58 32.39 2wat s HIS 1852CO 0.12 -0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.26 2wat n GLY 1853N -0.66 2.91 0.26 -2.22 0.00 -1.26 -1.71 105.19 102.52 2wat n GLY 1853Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 2wat n GLY 1853CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wat h ASN 1854N 0.00 0.47 -0.48 1.61 2.35 -1.99 -2.38 115.58 115.17 2wat h ASN 1854Ca 0.00 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 2wat h ASN 1854Cb 0.00 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2wat h ASN 1854CO 0.00 0.59 0.26 0.00 -1.65 0.00 0.00 177.43 176.63 2wat h ALA 1855N 1.47 0.61 -0.09 -0.83 0.00 -1.65 0.73 119.26 119.51 2wat h ALA 1855Ca 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wat h ALA 1855Cb 0.40 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2wat h ALA 1855CO 0.02 0.13 0.05 -0.22 0.00 0.00 0.00 179.25 179.23 2wat h LYS 1856N 0.63 0.13 0.05 0.00 3.64 -1.04 0.04 116.57 120.03 2wat h LYS 1856Ca 0.17 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2wat h LYS 1856Cb 0.05 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2wat h LYS 1856CO -0.03 0.19 -0.10 0.87 -2.27 0.00 0.00 179.45 178.11 2wat h LYS 1857N 0.04 -0.20 -0.97 1.90 1.57 -1.27 0.13 116.57 117.77 2wat h LYS 1857Ca 0.03 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2wat h LYS 1857Cb 0.10 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 2wat h LYS 1857CO -0.00 -0.13 0.64 0.00 -0.57 0.00 0.00 179.45 179.38 2wat h ALA 1858N 0.72 1.24 0.06 3.86 0.00 -0.75 0.11 119.26 124.51 2wat h ALA 1858Ca 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2wat h ALA 1858Cb 0.22 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2wat h ALA 1858CO -0.07 0.64 -0.03 0.00 0.00 0.00 0.00 179.25 179.79 2wat h ALA 1859N 1.35 -0.08 -0.86 0.00 0.00 -0.70 -1.87 119.26 117.10 2wat h ALA 1859Ca 0.36 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2wat h ALA 1859Cb -0.14 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2wat h ALA 1859CO -0.08 -0.45 0.55 0.93 0.00 0.00 0.00 179.25 180.20 2wat h GLU 1860N -0.27 1.05 0.00 0.00 5.08 -0.67 0.59 114.58 120.36 2wat h GLU 1860Ca -0.01 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2wat h GLU 1860Cb 0.24 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wat h GLU 1860CO 0.01 0.69 -0.06 1.49 -1.00 0.00 0.00 179.01 180.15 2wat h GLU 1861N 1.08 0.00 -0.02 2.33 4.81 -0.65 -0.45 114.58 121.68 2wat h GLU 1861Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 2wat h GLU 1861Cb -0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2wat h GLU 1861CO -0.11 0.06 -0.15 0.00 -0.73 0.00 0.00 179.01 178.07 2wat n ALA 1862N -2.30 2.85 -0.96 2.92 0.00 0.08 -4.95 120.51 118.16 2wat n ALA 1862Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2wat n ALA 1862Cb 0.16 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2wat n ALA 1862CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wat n GLY 1863N 1.31 0.49 3.69 0.00 0.00 -0.18 -5.00 105.19 105.50 2wat n GLY 1863Ca 0.14 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2wat n GLY 1863CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wat s VAL 1864N -2.00 3.32 -0.26 1.61 1.01 -0.60 -4.38 120.40 119.10 2wat s VAL 1864Ca 0.00 0.78 0.14 0.00 0.00 0.00 0.00 61.98 62.90 2wat s VAL 1864Cb 0.00 -3.50 -0.19 0.00 0.00 0.00 0.00 36.38 32.68 2wat s VAL 1864CO 0.00 0.01 0.42 0.35 0.00 0.00 0.00 175.10 175.87 2wat n THR 1865N 4.57 0.00 -3.53 3.92 -2.24 0.10 -4.47 114.28 112.62 2wat n THR 1865Ca 0.14 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 2wat n THR 1865Cb 0.42 0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 69.10 2wat n THR 1865CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wat s ASP 1866N -3.11 -0.51 -0.03 3.42 2.15 -1.21 -4.99 116.67 112.40 2wat s ASP 1866Ca -0.01 0.48 0.00 0.00 0.43 0.00 0.00 52.55 53.45 2wat s ASP 1866Cb 0.10 0.43 0.03 0.00 -0.30 0.00 0.00 42.92 43.18 2wat s ASP 1866CO 0.58 -0.53 0.01 -0.69 -0.17 0.00 0.00 175.17 174.37 2wat s VAL 1867N -1.50 0.11 0.04 1.11 1.01 -1.26 -1.05 120.40 118.86 2wat s VAL 1867Ca -0.05 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.10 2wat s VAL 1867Cb -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 2wat s VAL 1867CO 0.03 0.14 -0.04 -0.54 0.00 0.00 0.00 175.10 174.69 2wat s LYS 1868N 1.11 2.52 0.03 2.72 -0.14 0.08 -4.30 119.74 121.76 2wat s LYS 1868Ca -0.09 -0.78 -0.01 0.00 -1.36 0.00 0.00 55.97 53.73 2wat s LYS 1868Cb -0.13 -2.51 -0.02 0.00 -1.68 0.00 0.00 37.83 33.49 2wat s LYS 1868CO -0.02 0.57 -0.01 0.54 -0.76 0.00 0.00 175.35 175.67 2wat s VAL 1869N -1.13 0.14 0.02 3.17 0.11 -1.26 -0.80 120.40 120.65 2wat s VAL 1869Ca 0.20 -1.15 0.01 0.00 -2.93 0.00 0.00 61.98 58.12 2wat s VAL 1869Cb -0.11 -0.64 -0.02 0.00 -1.53 0.00 0.00 36.38 34.08 2wat s VAL 1869CO 0.12 -0.63 -0.05 -0.55 -3.33 0.00 0.00 175.10 170.66 2wat s SER 1870N -1.89 0.51 0.06 3.54 0.15 0.13 -4.57 113.70 111.63 2wat s SER 1870Ca -0.09 -0.41 0.06 0.00 0.70 0.00 0.00 55.95 56.21 2wat s SER 1870Cb -0.05 0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.28 2wat s SER 1870CO -0.03 -0.18 -0.17 -0.63 1.20 0.00 0.00 173.24 173.42 2wat s ILE 1871N -1.09 1.40 -0.04 6.45 1.01 -1.26 -1.51 121.20 126.16 2wat s ILE 1871Ca -0.09 -1.22 -0.12 0.00 0.00 0.00 0.00 60.65 59.21 2wat s ILE 1871Cb -0.08 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.15 2wat s ILE 1871CO -0.00 0.01 0.28 -0.55 0.00 0.00 0.00 174.94 174.68 2wat s SER 1872N -1.41 -0.19 0.07 3.58 0.15 -0.36 -5.01 113.70 110.53 2wat s SER 1872Ca 0.04 0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.92 2wat s SER 1872Cb -0.09 0.38 -0.03 0.00 -1.71 0.00 0.00 66.02 64.57 2wat s SER 1872CO 0.02 -0.34 -0.15 -1.00 1.20 0.00 0.00 173.24 172.97 2wat s HIS 1873N -0.93 1.33 0.13 3.44 0.09 -1.26 -1.22 115.29 116.87 2wat s HIS 1873Ca -0.10 -0.43 0.01 0.00 -0.00 0.00 0.00 55.06 54.55 2wat s HIS 1873Cb -0.05 -0.76 -0.01 0.00 -0.00 0.00 0.00 32.58 31.77 2wat s HIS 1873CO 0.03 0.08 0.05 -0.40 -0.00 0.00 0.00 174.74 174.50 2wat n ASP 1874N 1.40 0.86 -0.02 1.40 5.68 -0.61 -5.02 116.55 120.23 2wat n ASP 1874Ca -0.20 -1.71 0.17 0.00 -0.50 0.00 0.00 54.79 52.54 2wat n ASP 1874Cb 0.54 0.37 0.61 0.00 -1.14 0.00 0.00 41.12 41.50 2wat n ASP 1874CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2wat h ASP 1875N 0.55 0.15 0.03 -1.12 5.19 -2.04 -3.23 116.42 115.95 2wat h ASP 1875Ca -0.10 0.01 -0.38 0.00 -0.62 0.00 0.00 57.03 55.93 2wat h ASP 1875Cb 0.40 -0.02 -0.06 0.00 0.18 0.00 0.00 39.33 39.82 2wat h ASP 1875CO 0.16 0.08 -2.37 0.18 -3.12 0.00 0.00 179.24 174.17 2wat n LEU 1876N -4.43 2.67 -3.97 1.55 4.77 -1.26 -4.90 117.00 111.43 2wat n LEU 1876Ca 0.09 -0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 2wat n LEU 1876Cb 0.50 -0.83 -0.05 0.00 -2.33 0.00 0.00 43.42 40.71 2wat n LEU 1876CO 0.35 0.88 0.19 0.00 -1.33 0.00 0.00 177.39 177.49 2wat s GLN 1877N -2.53 1.54 0.16 3.23 -2.07 -1.22 -3.07 119.66 115.70 2wat s GLN 1877Ca -0.30 -1.21 0.10 0.00 -1.82 0.00 0.00 55.36 52.12 2wat s GLN 1877Cb 0.08 0.48 -0.04 0.00 -1.09 0.00 0.00 33.01 32.44 2wat s GLN 1877CO 0.65 -0.64 -0.19 0.00 -1.32 0.00 0.00 175.29 173.79 2wat s ALA 1878N -4.00 2.67 -0.02 2.60 0.00 0.12 -1.57 121.76 121.56 2wat s ALA 1878Ca 0.21 -1.49 -0.05 0.00 0.00 0.00 0.00 51.96 50.62 2wat s ALA 1878Cb -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.58 2wat s ALA 1878CO 0.08 0.50 0.12 0.54 0.00 0.00 0.00 175.76 177.00 2wat s VAL 1879N -1.45 0.05 0.03 0.00 0.11 -0.36 -0.67 120.40 118.11 2wat s VAL 1879Ca 0.20 -0.45 0.01 0.00 -2.93 0.00 0.00 61.98 58.81 2wat s VAL 1879Cb -0.09 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2wat s VAL 1879CO 0.11 -0.25 -0.04 0.00 -3.33 0.00 0.00 175.10 171.59 2wat s ALA 1880N -0.83 0.26 -0.05 1.54 0.00 -0.35 -1.23 121.76 121.10 2wat s ALA 1880Ca -0.09 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.28 2wat s ALA 1880Cb -0.05 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.18 2wat s ALA 1880CO 0.01 -0.10 -0.09 0.08 0.00 0.00 0.00 175.76 175.65 2wat s VAL 1881N -1.33 0.87 0.08 0.00 1.01 -0.57 -1.79 120.40 118.67 2wat s VAL 1881Ca -0.13 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 61.59 2wat s VAL 1881Cb -0.09 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 2wat s VAL 1881CO -0.00 0.29 -0.25 0.00 0.00 0.00 0.00 175.10 175.14 2wat s ALA 1882N 0.54 2.12 -0.04 5.51 0.00 0.76 -0.69 121.76 129.96 2wat s ALA 1882Ca -0.10 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 50.61 2wat s ALA 1882Cb -0.13 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2wat s ALA 1882CO 0.02 0.48 -0.10 0.14 0.00 0.00 0.00 175.76 176.30 2wat s VAL 1883N -0.93 0.87 0.14 0.00 -7.23 0.02 -0.71 120.40 112.55 2wat s VAL 1883Ca 0.11 -0.37 0.08 0.00 -1.81 0.00 0.00 61.98 59.98 2wat s VAL 1883Cb -0.10 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 36.01 2wat s VAL 1883CO 0.04 0.28 -0.10 -0.94 -0.31 0.00 0.00 175.10 174.06 2wat s SER 1884N 0.40 4.28 0.03 4.85 1.04 -0.09 -0.74 113.70 123.45 2wat s SER 1884Ca -0.07 -0.50 0.09 0.00 0.48 0.00 0.00 55.95 55.95 2wat s SER 1884Cb -0.11 -0.75 -0.03 0.00 0.10 0.00 0.00 66.02 65.23 2wat s SER 1884CO 0.01 0.14 -0.26 -0.89 0.98 0.00 0.00 173.24 173.22 2wat s THR 1885N -1.45 2.13 -0.47 2.02 2.01 -0.22 -2.58 115.64 117.10 2wat s THR 1885Ca 0.23 -1.31 0.04 0.00 0.31 0.00 0.00 61.69 60.95 2wat s THR 1885Cb -0.10 -1.81 0.03 0.00 0.01 0.00 0.00 72.50 70.63 2wat s THR 1885CO 0.14 0.42 0.62 0.29 -0.69 0.00 0.00 174.62 175.40