#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 -0.29 0.03 -0.02 0.00 -0.91 -4.90 107.32 101.23 2wat s GLY 1768Ca 0.00 1.87 0.01 0.00 0.00 0.00 0.00 44.72 46.60 2wat s GLY 1768CO 0.00 0.89 -0.05 0.54 0.00 0.00 0.00 173.10 174.48 2wat s VAL 1769N -1.52 0.33 -0.00 1.40 0.11 -1.26 -1.01 120.40 118.45 2wat s VAL 1769Ca 0.00 -0.83 -0.01 0.00 -2.93 0.00 0.00 61.98 58.21 2wat s VAL 1769Cb -0.01 -0.41 -0.00 0.00 -1.53 0.00 0.00 36.38 34.43 2wat s VAL 1769CO -0.01 -0.33 0.02 -0.83 -3.33 0.00 0.00 175.10 170.62 2wat s GLY 1770N -1.24 0.04 0.01 6.54 0.00 0.60 -3.86 107.32 109.41 2wat s GLY 1770Ca -0.10 -0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.55 2wat s GLY 1770CO -0.00 -0.12 -0.03 0.54 0.00 0.00 0.00 173.10 173.49 2wat s VAL 1771N -0.42 0.20 -0.08 1.40 0.11 -1.26 -0.50 120.40 119.85 2wat s VAL 1771Ca -0.05 -0.38 -0.07 0.00 -2.93 0.00 0.00 61.98 58.55 2wat s VAL 1771Cb -0.03 -0.23 0.02 0.00 -1.53 0.00 0.00 36.38 34.61 2wat s VAL 1771CO -0.00 -0.12 0.21 -0.62 -3.33 0.00 0.00 175.10 171.25 2wat s ASP 1772N -0.52 -0.22 -0.02 3.54 2.15 -0.59 -4.66 116.67 116.34 2wat s ASP 1772Ca -0.04 0.43 0.07 0.00 0.43 0.00 0.00 52.55 53.45 2wat s ASP 1772Cb -0.04 0.42 -0.02 0.00 -0.30 0.00 0.00 42.92 42.99 2wat s ASP 1772CO -0.00 -0.09 -0.24 0.54 -0.17 0.00 0.00 175.17 175.21 2wat s VAL 1773N 0.27 1.88 0.00 1.11 0.11 -1.26 -1.26 120.40 121.26 2wat s VAL 1773Ca -0.01 -1.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.04 2wat s VAL 1773Cb -0.03 -1.57 -0.01 0.00 -1.53 0.00 0.00 36.38 33.25 2wat s VAL 1773CO -0.01 0.53 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.64 2wat s GLU 1774N -0.48 0.32 0.33 1.54 0.41 0.63 -4.98 118.70 116.46 2wat s GLU 1774Ca 0.07 -0.23 -0.29 0.00 -0.41 0.00 0.00 54.97 54.11 2wat s GLU 1774Cb -0.10 -0.26 -0.10 0.00 -1.78 0.00 0.00 34.13 31.89 2wat s GLU 1774CO -0.00 0.07 1.31 -0.51 -0.49 0.00 0.00 175.26 175.63 2wat s LEU 1775N -0.34 4.43 0.29 1.80 1.02 -1.26 0.13 118.68 124.74 2wat s LEU 1775Ca -0.01 2.67 -0.02 0.00 0.02 0.00 0.00 54.13 56.80 2wat s LEU 1775Cb -0.03 -3.65 0.44 0.00 0.02 0.00 0.00 46.19 42.98 2wat s LEU 1775CO -0.00 -0.53 1.94 0.40 0.02 0.00 0.00 176.35 178.17 2wat h ILE 1776N 3.06 1.16 0.00 -0.59 1.08 -1.88 -1.42 117.51 118.92 2wat h ILE 1776Ca -0.49 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 63.59 2wat h ILE 1776Cb 1.23 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 2wat h ILE 1776CO 0.66 0.21 0.00 0.35 -0.69 0.00 0.00 178.15 178.68 2wat n THR 1777N -4.44 0.17 0.25 -0.27 -2.24 -1.26 -2.73 114.28 103.76 2wat n THR 1777Ca 0.12 0.04 0.14 0.00 -2.27 0.00 0.00 64.05 62.08 2wat n THR 1777Cb 0.10 -0.72 0.54 0.00 -2.10 0.00 0.00 70.33 68.15 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 -3.80 3.42 4.64 -1.63 -3.41 113.55 112.78 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 0.08 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.01 2wat h SER 1778CO 0.00 0.07 -0.37 -0.63 -0.87 0.00 0.00 176.83 175.03 2wat s ILE 1779N -3.59 5.24 -0.50 0.95 -1.09 -1.11 -5.04 121.20 116.06 2wat s ILE 1779Ca 0.02 0.32 -0.16 0.00 -2.23 0.00 0.00 60.65 58.60 2wat s ILE 1779Cb 0.09 -3.64 0.09 0.00 -1.58 0.00 0.00 42.46 37.42 2wat s ILE 1779CO 0.59 0.17 0.47 0.21 -1.23 0.00 0.00 174.94 175.15 2wat s ASN 1780N 1.70 6.17 0.57 3.58 3.84 -1.26 -4.94 114.94 124.60 2wat s ASN 1780Ca 0.11 -1.43 0.30 0.00 0.21 0.00 0.00 52.86 52.05 2wat s ASN 1780Cb -0.16 -2.21 1.71 0.00 -0.55 0.00 0.00 41.25 40.05 2wat s ASN 1780CO 0.11 -0.76 2.19 0.58 -2.79 0.00 0.00 177.10 176.43 2wat h VAL 1781N 5.81 0.50 -0.09 -5.21 2.07 -1.96 -1.92 116.25 115.45 2wat h VAL 1781Ca -0.29 -0.21 -0.16 0.00 0.82 0.00 0.00 66.70 66.86 2wat h VAL 1781Cb 1.10 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2wat h VAL 1781CO 0.95 0.05 -0.63 -0.33 0.02 0.00 0.00 177.57 177.62 2wat h GLU 1782N 0.00 0.32 -5.47 1.57 3.07 -2.05 -3.42 114.58 108.60 2wat h GLU 1782Ca -0.00 -0.23 -0.37 0.00 -0.50 0.00 0.00 59.36 58.26 2wat h GLU 1782Cb 0.14 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.04 2wat h GLU 1782CO 0.01 0.85 1.22 -1.71 -1.40 0.00 0.00 179.01 177.97 2wat n ASN 1783N -3.87 3.25 -0.15 1.42 2.85 -0.72 -4.78 115.26 113.25 2wat n ASN 1783Ca -0.03 -2.72 0.11 0.00 -0.11 0.00 0.00 54.58 51.83 2wat n ASN 1783Cb 0.64 -1.73 0.45 0.00 1.24 0.00 0.00 39.78 40.38 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 9.43 0.49 -0.04 1.20 3.32 -1.84 -1.66 116.42 127.32 2wat h ASP 1784Ca 0.25 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 2wat h ASP 1784Cb 0.92 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 2wat h ASP 1784CO 1.27 0.28 0.02 0.74 -1.72 0.00 0.00 179.24 179.83 2wat h THR 1785N 0.54 1.13 -0.20 0.35 2.02 -1.97 0.14 112.91 114.92 2wat h THR 1785Ca 0.33 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 2wat h THR 1785Cb 0.56 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2wat h THR 1785CO -0.11 0.11 0.11 0.15 0.37 0.00 0.00 175.52 176.15 2wat h PHE 1786N -0.08 0.28 -0.24 3.16 3.57 -1.77 -1.21 116.94 120.64 2wat h PHE 1786Ca 0.01 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2wat h PHE 1786Cb 0.16 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2wat h PHE 1786CO -0.02 0.25 0.15 0.82 -2.23 0.00 0.00 178.31 177.28 2wat h ILE 1787N 0.22 1.04 -0.28 1.41 1.08 -1.24 -2.79 117.51 116.95 2wat h ILE 1787Ca 0.07 -0.11 -0.05 0.00 -0.39 0.00 0.00 64.86 64.38 2wat h ILE 1787Cb 0.07 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 2wat h ILE 1787CO -0.01 0.06 -0.06 -0.08 -0.69 0.00 0.00 178.15 177.37 2wat h GLU 1788N 0.31 0.44 0.00 2.37 4.57 -0.61 -1.37 114.58 120.29 2wat h GLU 1788Ca 0.09 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 2wat h GLU 1788Cb -0.02 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 2wat h GLU 1788CO -0.03 0.51 -0.50 -0.09 -1.18 0.00 0.00 179.01 177.72 2wat h ARG 1789N 0.41 0.00 0.00 1.92 2.43 -0.97 -3.37 114.38 114.81 2wat h ARG 1789Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2wat h ARG 1789Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2wat h ARG 1789CO 0.02 0.50 -0.51 0.09 -1.51 0.00 0.00 179.97 178.55 2wat n ASN 1790N -3.53 1.80 -4.20 -3.80 3.02 -1.06 -4.26 115.26 103.22 2wat n ASN 1790Ca -0.00 -0.34 -0.27 0.00 -0.03 0.00 0.00 54.58 53.93 2wat n ASN 1790Cb 0.60 1.05 -0.16 0.00 -0.61 0.00 0.00 39.78 40.66 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 -1.61 1.89 0.75 3.10 0.08 -0.54 -3.52 117.98 118.14 2wat s PHE 1791Ca 0.00 -0.44 -0.11 0.00 0.12 0.00 0.00 56.93 56.51 2wat s PHE 1791Cb 0.02 -1.23 0.04 0.00 -0.57 0.00 0.00 43.02 41.28 2wat s PHE 1791CO 0.11 -0.09 1.09 0.95 -0.10 0.00 0.00 175.22 177.17 2wat s THR 1792N -0.30 3.47 0.45 0.64 -4.23 -1.26 -4.68 115.64 109.73 2wat s THR 1792Ca 0.03 0.49 0.20 0.00 -1.18 0.00 0.00 61.69 61.23 2wat s THR 1792Cb -0.10 -3.03 0.39 0.00 1.34 0.00 0.00 72.50 71.11 2wat s THR 1792CO 0.01 -0.62 1.89 -0.65 -0.54 0.00 0.00 174.62 174.71 2wat h PRO 1793N -0.99 0.30 0.02 3.99 0.11 -1.97 -1.33 132.00 132.13 2wat h PRO 1793Ca -0.44 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.43 2wat h PRO 1793Cb 1.23 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2wat h PRO 1793CO 0.53 0.20 -0.98 -0.56 -0.21 0.00 0.00 178.00 176.98 2wat h GLN 1794N 0.31 0.31 -0.53 1.05 -0.00 -1.99 -1.63 115.11 112.64 2wat h GLN 1794Ca 0.42 -0.37 -0.06 0.00 -0.00 0.00 0.00 58.65 58.65 2wat h GLN 1794Cb 1.17 0.11 -0.02 0.00 -0.00 0.00 0.00 27.48 28.74 2wat h GLN 1794CO -0.12 1.08 0.11 0.93 -0.00 0.00 0.00 178.83 180.83 2wat h GLU 1795N 0.16 0.85 -0.77 0.06 5.08 -1.70 -2.17 114.58 116.09 2wat h GLU 1795Ca -0.08 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 2wat h GLU 1795Cb 1.63 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.73 2wat h GLU 1795CO 0.16 0.82 0.41 0.82 -1.00 0.00 0.00 179.01 180.22 2wat h ILE 1796N 0.74 1.23 -0.39 3.13 2.04 -1.19 -0.76 117.51 122.32 2wat h ILE 1796Ca 0.16 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 2wat h ILE 1796Cb 0.36 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 2wat h ILE 1796CO 0.01 0.26 0.13 -0.08 0.00 0.00 0.00 178.15 178.47 2wat h GLU 1797N 1.07 0.59 0.58 2.37 4.81 -1.21 -0.70 114.58 122.10 2wat h GLU 1797Ca 0.27 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2wat h GLU 1797Cb 0.05 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.35 2wat h GLU 1797CO -0.04 0.59 -0.28 -0.92 -0.73 0.00 0.00 179.01 177.63 2wat h TYR 1798N 0.48 -0.72 -0.86 0.92 3.20 -1.10 -2.87 116.97 116.01 2wat h TYR 1798Ca 0.13 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.01 2wat h TYR 1798Cb 0.23 0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 2wat h TYR 1798CO 0.01 -0.42 0.56 0.00 -1.64 0.00 0.00 178.16 176.66 2wat h SER 1800N 1.11 0.00 -0.05 0.00 0.02 -1.08 -2.44 113.55 111.11 2wat h SER 1800Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2wat h SER 1800Cb -0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2wat h SER 1800CO -0.10 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.59 2wat n ALA 1801N -1.96 2.46 -2.03 3.77 0.00 -0.44 -4.92 120.51 117.38 2wat n ALA 1801Ca -0.01 -0.69 -0.29 0.00 0.00 0.00 0.00 53.44 52.44 2wat n ALA 1801Cb 0.12 -0.74 0.01 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.79 3.41 0.18 0.00 -1.52 -0.92 -4.99 119.66 114.03 2wat s GLN 1802Ca 0.26 0.44 -0.13 0.00 -1.95 0.00 0.00 55.36 53.98 2wat s GLN 1802Cb 0.18 -2.20 0.14 0.00 -0.22 0.00 0.00 33.01 30.91 2wat s GLN 1802CO 0.27 -0.51 1.79 -1.35 -0.25 0.00 0.00 175.29 175.24 2wat h PRO 1803N -0.16 0.50 -4.59 2.91 0.11 -1.93 -3.32 132.00 125.53 2wat h PRO 1803Ca -0.45 -0.03 -0.69 0.00 0.11 0.00 0.00 66.00 64.94 2wat h PRO 1803Cb 1.21 -0.11 -0.34 0.00 0.11 0.00 0.00 31.00 31.86 2wat h PRO 1803CO 0.62 0.33 -0.61 0.45 -0.21 0.00 0.00 178.00 178.58 2wat s SER 1804N -5.51 5.11 0.10 -2.05 0.15 -1.26 -4.99 113.70 105.25 2wat s SER 1804Ca -0.13 -1.81 -0.18 0.00 0.70 0.00 0.00 55.95 54.53 2wat s SER 1804Cb 0.14 -1.78 -0.07 0.00 -1.71 0.00 0.00 66.02 62.60 2wat s SER 1804CO 0.74 -0.44 1.58 0.58 1.20 0.00 0.00 173.24 176.89 2wat h VAL 1805N 6.41 1.22 -0.68 4.45 2.07 -1.78 -1.76 116.25 126.18 2wat h VAL 1805Ca -0.15 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 2wat h VAL 1805Cb 1.05 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 2wat h VAL 1805CO 0.63 0.24 0.29 -0.61 0.02 0.00 0.00 177.57 178.15 2wat h GLN 1806N 0.27 1.00 -0.38 1.57 4.15 -1.94 -1.67 115.11 118.10 2wat h GLN 1806Ca 0.08 -0.17 -0.10 0.00 0.77 0.00 0.00 58.65 59.24 2wat h GLN 1806Cb 0.32 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 2wat h GLN 1806CO 0.00 0.81 -0.17 1.03 -1.93 0.00 0.00 178.83 178.58 2wat h SER 1807N 0.95 0.72 -0.30 -0.69 0.87 -1.85 -1.43 113.55 111.82 2wat h SER 1807Ca 0.23 -0.23 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2wat h SER 1807Cb 0.17 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2wat h SER 1807CO -0.02 0.90 0.01 -1.28 -0.53 0.00 0.00 176.83 175.90 2wat h SER 1808N 0.64 0.52 -0.74 6.23 0.87 -0.85 -1.14 113.55 119.08 2wat h SER 1808Ca 0.10 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.34 2wat h SER 1808Cb 0.65 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 2wat h SER 1808CO 0.05 0.70 0.40 -0.26 -0.53 0.00 0.00 176.83 177.18 2wat h PHE 1809N 0.33 1.03 -0.90 2.24 0.04 -1.20 -0.99 116.94 117.50 2wat h PHE 1809Ca 0.09 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 2wat h PHE 1809Cb 0.43 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 38.21 2wat h PHE 1809CO 0.03 0.73 0.51 0.00 -0.60 0.00 0.00 178.31 178.98 2wat h ALA 1810N 1.20 1.15 -0.54 2.45 0.00 -1.10 0.92 119.26 123.34 2wat h ALA 1810Ca 0.26 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2wat h ALA 1810Cb 0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2wat h ALA 1810CO -0.04 0.63 -0.07 0.78 0.00 0.00 0.00 179.25 180.56 2wat h GLY 1811N 1.25 1.05 1.36 0.00 0.00 -0.67 -1.10 103.07 104.95 2wat h GLY 1811Ca 0.32 -0.80 -0.16 0.00 0.00 0.00 0.00 47.33 46.69 2wat h GLY 1811CO -0.05 0.74 -0.47 -0.84 0.00 0.00 0.00 176.54 175.91 2wat h THR 1812N 0.88 1.30 -0.42 4.70 2.02 -0.78 -1.26 112.91 119.35 2wat h THR 1812Ca 0.15 -1.67 -0.01 0.00 0.77 0.00 0.00 66.41 65.65 2wat h THR 1812Cb 0.61 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 2wat h THR 1812CO 0.04 0.53 0.21 -0.25 0.37 0.00 0.00 175.52 176.42 2wat h TRP 1813N 0.55 0.59 -0.86 3.16 2.91 -0.64 -1.29 115.95 120.36 2wat h TRP 1813Ca 0.03 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.02 2wat h TRP 1813Cb 1.02 -0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 29.45 2wat h TRP 1813CO 0.05 0.47 0.52 0.77 -1.03 0.00 0.00 178.44 179.22 2wat h SER 1814N 0.53 1.04 -0.59 2.65 0.02 -0.98 -1.97 113.55 114.25 2wat h SER 1814Ca 0.14 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2wat h SER 1814Cb 0.09 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2wat h SER 1814CO -0.02 0.79 0.16 0.00 -1.14 0.00 0.00 176.83 176.62 2wat h ALA 1815N 1.38 0.77 -0.38 3.77 0.00 -0.85 0.99 119.26 124.94 2wat h ALA 1815Ca 0.31 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2wat h ALA 1815Cb -0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2wat h ALA 1815CO -0.06 0.47 0.22 0.87 0.00 0.00 0.00 179.25 180.75 2wat h LYS 1816N 0.85 0.44 -0.49 0.00 1.57 -0.84 -0.04 116.57 118.06 2wat h LYS 1816Ca 0.19 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 2wat h LYS 1816Cb 0.33 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2wat h LYS 1816CO -0.00 0.29 0.03 0.93 -0.57 0.00 0.00 179.45 180.13 2wat h GLU 1817N 0.45 0.83 -0.30 3.15 4.39 -1.11 -1.19 114.58 120.81 2wat h GLU 1817Ca 0.15 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 2wat h GLU 1817Cb 0.01 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2wat h GLU 1817CO -0.08 0.86 0.17 0.00 -1.16 0.00 0.00 179.01 178.80 2wat h ALA 1818N 0.94 0.39 -0.66 3.43 0.00 -0.62 -1.55 119.26 121.19 2wat h ALA 1818Ca 0.14 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2wat h ALA 1818Cb 0.46 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2wat h ALA 1818CO 0.02 -0.09 0.41 0.28 0.00 0.00 0.00 179.25 179.86 2wat h VAL 1819N 0.37 1.07 -0.54 0.00 2.07 -0.86 -2.26 116.25 116.09 2wat h VAL 1819Ca 0.11 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2wat h VAL 1819Cb 0.05 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 2wat h VAL 1819CO -0.02 0.14 0.35 0.15 0.02 0.00 0.00 177.57 178.22 2wat h PHE 1820N 0.79 0.68 0.00 1.57 3.57 -0.85 -2.29 116.94 120.41 2wat h PHE 1820Ca 0.27 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 2wat h PHE 1820Cb 0.05 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2wat h PHE 1820CO -0.05 0.43 -0.17 0.87 -2.23 0.00 0.00 178.31 177.16 2wat h LYS 1821N 0.73 0.00 0.00 1.11 1.57 -0.85 -2.23 116.57 116.90 2wat h LYS 1821Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2wat h LYS 1821Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2wat h LYS 1821CO -0.04 0.17 0.00 -1.13 -0.57 0.00 0.00 179.45 177.88 2wat n SER 1822N -4.00 0.74 0.13 0.86 3.41 -0.88 -3.64 113.62 110.25 2wat n SER 1822Ca -0.02 0.58 -0.00 0.00 -0.26 0.00 0.00 58.87 59.16 2wat n SER 1822Cb 0.26 -0.77 0.12 0.00 -0.26 0.00 0.00 64.21 63.56 2wat n SER 1822CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2wat h LEU 1823N 0.00 0.00 -1.85 1.04 3.38 -1.25 -3.39 115.31 113.24 2wat h LEU 1823Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2wat h LEU 1823Cb 0.69 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.52 2wat h LEU 1823CO 0.00 0.64 -0.34 0.61 0.09 0.00 0.00 178.44 179.44 2wat n GLY 1824N 0.64 0.09 3.43 0.83 0.00 -1.24 -4.94 105.19 104.00 2wat n GLY 1824Ca -0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.16 1.16 0.98 1.61 -7.23 -1.26 -5.04 120.40 107.47 2wat s VAL 1825Ca 0.00 -2.01 -0.16 0.00 -1.81 0.00 0.00 61.98 58.00 2wat s VAL 1825Cb -0.00 -2.72 0.22 0.00 0.56 0.00 0.00 36.38 34.44 2wat s VAL 1825CO 0.32 -0.05 1.34 -0.75 -0.31 0.00 0.00 175.10 175.64 2wat s LYS 1826N -3.89 0.48 0.00 4.82 2.20 -1.26 -5.04 119.74 117.05 2wat s LYS 1826Ca 0.35 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 2wat s LYS 1826Cb 0.08 -1.85 0.00 0.00 -1.51 0.00 0.00 37.83 34.56 2wat s LYS 1826CO 0.15 -2.51 0.00 0.00 -0.36 0.00 0.00 175.35 172.63 2wat n ALA 1832N -3.81 0.00 -1.77 3.13 0.00 -1.26 -5.21 120.51 111.60 2wat n ALA 1832Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.21 2wat n ALA 1832Cb 0.59 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.04 2wat n ALA 1832CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wat s ALA 1833N -0.75 3.29 -0.23 0.00 0.00 -1.26 -4.93 121.76 117.88 2wat s ALA 1833Ca 0.00 1.27 0.14 0.00 0.00 0.00 0.00 51.96 53.37 2wat s ALA 1833Cb 0.00 -3.50 0.64 0.00 0.00 0.00 0.00 23.12 20.26 2wat s ALA 1833CO 0.00 -0.85 1.57 1.28 0.00 0.00 0.00 175.76 177.76 2wat n LEU 1834N 0.17 4.74 0.27 0.00 4.77 -1.26 -4.60 117.00 121.08 2wat n LEU 1834Ca 0.03 -3.10 0.11 0.00 -0.03 0.00 0.00 56.01 53.02 2wat n LEU 1834Cb 0.43 -0.62 0.73 0.00 -2.33 0.00 0.00 43.42 41.63 2wat n LEU 1834CO 0.57 0.74 1.03 0.50 -1.33 0.00 0.00 177.39 178.90 2wat h LYS 1835N 2.41 0.00 0.00 3.23 3.64 -1.74 -2.23 116.57 121.88 2wat h LYS 1835Ca 0.06 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2wat h LYS 1835Cb 1.75 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.57 2wat h LYS 1835CO 0.39 0.07 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.19 2wat h ASP 1836N 0.00 0.00 -3.31 4.20 3.32 -1.89 -3.38 116.42 115.37 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 0.14 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.45 2wat h ASP 1836CO 0.01 0.01 -0.35 -0.63 -1.72 0.00 0.00 179.24 176.56 2wat s ILE 1837N -3.82 4.97 -0.17 0.35 1.01 -0.84 -1.36 121.20 121.34 2wat s ILE 1837Ca -0.01 -1.23 -0.06 0.00 0.00 0.00 0.00 60.65 59.35 2wat s ILE 1837Cb 0.10 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2wat s ILE 1837CO 0.51 -0.61 0.04 -0.70 0.00 0.00 0.00 174.94 174.18 2wat s GLU 1838N 1.58 3.88 -0.29 2.79 2.12 -0.48 -4.87 118.70 123.42 2wat s GLU 1838Ca 0.04 -0.37 -0.16 0.00 0.36 0.00 0.00 54.97 54.83 2wat s GLU 1838Cb -0.25 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 2wat s GLU 1838CO 0.05 0.30 0.43 0.42 -0.54 0.00 0.00 175.26 175.92 2wat s ILE 1839N 0.29 5.12 0.33 -3.70 -1.09 -1.26 -0.83 121.20 120.05 2wat s ILE 1839Ca 0.02 0.52 0.09 0.00 -2.23 0.00 0.00 60.65 59.06 2wat s ILE 1839Cb -0.13 -3.80 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 2wat s ILE 1839CO 0.01 0.03 0.04 0.68 -1.23 0.00 0.00 174.94 174.47 2wat s VAL 1840N 2.19 2.84 0.02 2.92 -7.23 0.26 -4.77 120.40 116.63 2wat s VAL 1840Ca 0.17 -1.90 0.02 0.00 -1.81 0.00 0.00 61.98 58.46 2wat s VAL 1840Cb -0.16 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.90 2wat s VAL 1840CO 0.11 -0.22 0.01 -0.13 -0.31 0.00 0.00 175.10 174.56 2wat s ARG 1841N -3.74 2.76 0.00 4.82 1.81 -1.26 0.90 118.95 124.24 2wat s ARG 1841Ca 0.35 -0.66 0.00 0.00 -1.72 0.00 0.00 55.73 53.70 2wat s ARG 1841Cb -0.02 -2.66 0.00 0.00 -0.45 0.00 0.00 34.95 31.83 2wat s ARG 1841CO 0.20 0.60 0.00 0.28 -0.68 0.00 0.00 175.30 175.71 2wat n VAL 1842N 1.14 0.00 -0.76 3.52 0.31 0.59 -4.70 118.33 118.43 2wat n VAL 1842Ca -0.13 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.97 2wat n VAL 1842Cb 0.52 -0.26 -0.02 0.00 -0.91 0.00 0.00 33.84 33.18 2wat n VAL 1842CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2wat n ASN 1843N 0.00 5.07 0.00 4.52 3.02 -1.26 -4.64 115.26 121.98 2wat n ASN 1843Ca 0.00 -2.33 0.00 0.00 -0.03 0.00 0.00 54.58 52.22 2wat n ASN 1843Cb 0.00 -1.11 0.00 0.00 -0.61 0.00 0.00 39.78 38.06 2wat n ASN 1843CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2wat n LYS 1844N 4.19 0.00 -0.00 3.52 3.00 -1.26 -4.12 118.16 123.48 2wat n LYS 1844Ca 0.46 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.80 2wat n LYS 1844Cb 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.13 2wat n LYS 1844CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2wat n ASN 1845N 1.92 1.12 -4.73 3.14 3.02 -1.26 -4.76 115.26 113.71 2wat n ASN 1845Ca 0.00 -0.48 -0.41 0.00 -0.03 0.00 0.00 54.58 53.66 2wat n ASN 1845Cb 0.00 1.07 -0.04 0.00 -0.61 0.00 0.00 39.78 40.20 2wat n ASN 1845CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wat s ALA 1846N -1.79 3.28 0.07 5.41 0.00 -1.26 -4.87 121.76 122.60 2wat s ALA 1846Ca 0.01 0.66 -0.28 0.00 0.00 0.00 0.00 51.96 52.36 2wat s ALA 1846Cb 0.04 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 2wat s ALA 1846CO 0.25 -0.14 0.87 -1.25 0.00 0.00 0.00 175.76 175.50 2wat s PRO 1847N 0.12 4.59 0.27 0.00 0.04 -1.26 -0.30 135.00 138.47 2wat s PRO 1847Ca 0.49 1.27 0.08 0.00 0.04 0.00 0.00 61.00 62.88 2wat s PRO 1847Cb -0.25 -3.38 -0.06 0.00 0.04 0.00 0.00 34.50 30.85 2wat s PRO 1847CO 0.31 0.21 -0.11 0.00 0.04 0.00 0.00 177.00 177.45 2wat s ALA 1848N 0.12 2.45 -0.10 8.56 0.00 0.26 -4.58 121.76 128.46 2wat s ALA 1848Ca 0.44 -1.88 -0.01 0.00 0.00 0.00 0.00 51.96 50.51 2wat s ALA 1848Cb -0.22 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 2wat s ALA 1848CO 0.26 0.05 -0.05 0.08 0.00 0.00 0.00 175.76 176.10 2wat s VAL 1849N -2.84 3.83 -0.11 0.00 1.01 -1.26 -0.58 120.40 120.45 2wat s VAL 1849Ca 0.29 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 2wat s VAL 1849Cb 0.01 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.81 2wat s VAL 1849CO 0.12 0.56 -0.05 -1.61 0.00 0.00 0.00 175.10 174.13 2wat s GLU 1850N -0.38 1.20 -0.01 2.72 2.02 -0.01 -4.92 118.70 119.32 2wat s GLU 1850Ca 0.06 -0.17 -0.13 0.00 0.02 0.00 0.00 54.97 54.74 2wat s GLU 1850Cb -0.12 -1.46 -0.05 0.00 0.10 0.00 0.00 34.13 32.59 2wat s GLU 1850CO 0.02 -0.31 0.38 -0.51 0.02 0.00 0.00 175.26 174.86 2wat s LEU 1851N 1.79 4.46 0.31 1.80 1.43 -1.26 -1.38 118.68 125.82 2wat s LEU 1851Ca 0.04 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.07 2wat s LEU 1851Cb -0.13 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 2wat s LEU 1851CO -0.07 0.32 0.09 -1.00 0.23 0.00 0.00 176.35 175.92 2wat s HIS 1852N -1.10 1.76 0.00 0.29 3.76 -0.46 -4.61 115.29 114.93 2wat s HIS 1852Ca 0.24 -1.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.04 2wat s HIS 1852Cb -0.16 -1.10 0.00 0.00 1.11 0.00 0.00 32.58 32.43 2wat s HIS 1852CO 0.13 -0.19 0.00 0.41 -0.85 0.00 0.00 174.74 174.24 2wat n GLY 1853N -0.62 2.94 0.29 -2.22 0.00 -1.26 -1.85 105.19 102.47 2wat n GLY 1853Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 0.64 -0.64 1.61 2.35 -1.99 -2.37 115.58 115.18 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 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 2wat h ASN 1854CO 0.00 0.63 0.36 0.00 -1.65 0.00 0.00 177.43 176.77 2wat h ALA 1855N 1.46 0.82 -0.14 -0.83 0.00 -1.66 0.11 119.26 119.02 2wat h ALA 1855Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wat h ALA 1855Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2wat h ALA 1855CO -0.00 0.33 0.03 -0.22 0.00 0.00 0.00 179.25 179.39 2wat h LYS 1856N 0.88 0.23 0.17 0.00 3.64 -1.06 -0.48 116.57 119.95 2wat h LYS 1856Ca 0.23 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2wat h LYS 1856Cb 0.03 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2wat h LYS 1856CO -0.04 0.38 -0.19 0.87 -2.27 0.00 0.00 179.45 178.20 2wat h LYS 1857N 0.03 -0.39 -0.81 1.90 1.57 -1.22 -0.20 116.57 117.45 2wat h LYS 1857Ca 0.04 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 2wat h LYS 1857Cb 0.26 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.60 2wat h LYS 1857CO 0.00 -0.26 0.51 0.00 -0.57 0.00 0.00 179.45 179.13 2wat h ALA 1858N 0.36 1.10 -0.02 3.86 0.00 -0.72 0.15 119.26 123.99 2wat h ALA 1858Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wat h ALA 1858Cb 0.39 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wat h ALA 1858CO -0.06 0.27 0.01 0.00 0.00 0.00 0.00 179.25 179.47 2wat h ALA 1859N 1.37 0.03 -0.85 0.00 0.00 -0.85 -1.66 119.26 117.30 2wat h ALA 1859Ca 0.34 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2wat h ALA 1859Cb 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2wat h ALA 1859CO -0.15 -0.38 0.56 0.93 0.00 0.00 0.00 179.25 180.21 2wat h GLU 1860N -0.15 1.09 0.00 0.00 5.08 -0.66 -0.32 114.58 119.63 2wat h GLU 1860Ca 0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2wat h GLU 1860Cb 0.18 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2wat h GLU 1860CO -0.00 0.72 -0.05 1.49 -1.00 0.00 0.00 179.01 180.18 2wat h GLU 1861N 1.13 0.00 -0.02 2.33 4.81 -0.53 -0.71 114.58 121.59 2wat h GLU 1861Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 2wat h GLU 1861Cb -0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2wat h GLU 1861CO -0.08 0.05 -0.07 0.00 -0.73 0.00 0.00 179.01 178.18 2wat n ALA 1862N -2.32 2.67 -1.01 2.92 0.00 -0.27 -4.95 120.51 117.55 2wat n ALA 1862Ca -0.03 -0.54 -0.00 0.00 0.00 0.00 0.00 53.44 52.87 2wat n ALA 1862Cb 0.14 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 1.28 0.47 3.69 0.00 0.00 -0.27 -5.00 105.19 105.35 2wat n GLY 1863Ca 0.16 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.97 3.50 -0.23 1.61 1.01 -0.42 -4.27 120.40 119.64 2wat s VAL 1864Ca 0.00 0.92 0.15 0.00 0.00 0.00 0.00 61.98 63.04 2wat s VAL 1864Cb 0.00 -3.59 -0.20 0.00 0.00 0.00 0.00 36.38 32.59 2wat s VAL 1864CO 0.00 0.00 0.41 0.35 0.00 0.00 0.00 175.10 175.86 2wat n THR 1865N 4.63 0.00 -3.54 3.92 -2.24 0.12 -4.46 114.28 112.72 2wat n THR 1865Ca 0.14 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.49 2wat n THR 1865Cb 0.43 0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 69.04 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 -3.26 -0.53 -0.03 3.42 2.15 -1.21 -5.00 116.67 112.21 2wat s ASP 1866Ca -0.02 0.53 -0.00 0.00 0.43 0.00 0.00 52.55 53.49 2wat s ASP 1866Cb 0.10 0.44 0.03 0.00 -0.30 0.00 0.00 42.92 43.19 2wat s ASP 1866CO 0.60 -0.52 0.01 -0.69 -0.17 0.00 0.00 175.17 174.41 2wat s VAL 1867N -1.36 0.12 0.03 1.11 1.01 -1.26 -1.07 120.40 118.98 2wat s VAL 1867Ca -0.06 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.11 2wat s VAL 1867Cb -0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 2wat s VAL 1867CO 0.05 0.15 -0.01 -0.54 0.00 0.00 0.00 175.10 174.75 2wat s LYS 1868N 1.28 2.66 0.03 2.72 -0.14 -0.36 -4.29 119.74 121.64 2wat s LYS 1868Ca -0.06 -0.71 -0.00 0.00 -1.36 0.00 0.00 55.97 53.83 2wat s LYS 1868Cb -0.13 -2.60 -0.03 0.00 -1.68 0.00 0.00 37.83 33.40 2wat s LYS 1868CO -0.02 0.59 -0.03 0.54 -0.76 0.00 0.00 175.35 175.67 2wat s VAL 1869N -1.16 0.14 0.03 3.17 0.11 -1.26 -1.35 120.40 120.08 2wat s VAL 1869Ca 0.21 -1.14 0.02 0.00 -2.93 0.00 0.00 61.98 58.14 2wat s VAL 1869Cb -0.12 -0.58 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 2wat s VAL 1869CO 0.13 -0.62 -0.06 -0.55 -3.33 0.00 0.00 175.10 170.66 2wat s SER 1870N -1.83 0.66 0.04 3.54 0.15 -0.22 -4.74 113.70 111.30 2wat s SER 1870Ca -0.10 -0.46 0.05 0.00 0.70 0.00 0.00 55.95 56.14 2wat s SER 1870Cb -0.05 0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.27 2wat s SER 1870CO -0.03 -0.19 -0.15 -0.63 1.20 0.00 0.00 173.24 173.44 2wat s ILE 1871N -1.19 1.19 0.11 6.45 1.01 -1.26 -1.62 121.20 125.88 2wat s ILE 1871Ca -0.09 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.38 2wat s ILE 1871Cb -0.09 -1.07 0.03 0.00 0.01 0.00 0.00 42.46 41.34 2wat s ILE 1871CO 0.00 0.04 0.36 -0.55 0.00 0.00 0.00 174.94 174.78 2wat s SER 1872N -1.14 -0.17 -0.06 3.58 0.15 0.05 -5.01 113.70 111.12 2wat s SER 1872Ca 0.02 -0.35 -0.24 0.00 0.70 0.00 0.00 55.95 56.09 2wat s SER 1872Cb -0.08 0.44 0.05 0.00 -1.71 0.00 0.00 66.02 64.72 2wat s SER 1872CO 0.01 -0.80 0.53 -1.38 1.20 0.00 0.00 173.24 172.80 2wat s HIS 1873N -3.66 -0.48 0.03 3.44 -3.43 -1.26 -0.27 115.29 109.66 2wat s HIS 1873Ca 0.02 0.86 0.01 0.00 -0.80 0.00 0.00 55.06 55.15 2wat s HIS 1873Cb 0.02 0.27 -0.00 0.00 -1.43 0.00 0.00 32.58 31.44 2wat s HIS 1873CO -0.11 -0.49 0.02 -0.40 -2.00 0.00 0.00 174.74 171.76 2wat n ASP 1874N 1.27 0.19 0.22 7.38 5.68 -0.64 -5.00 116.55 125.64 2wat n ASP 1874Ca -0.19 -1.16 0.12 0.00 -0.50 0.00 0.00 54.79 53.06 2wat n ASP 1874Cb 0.57 0.11 0.72 0.00 -1.14 0.00 0.00 41.12 41.38 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 0.15 0.00 0.41 -1.12 3.32 -2.02 -2.72 116.42 114.43 2wat h ASP 1875Ca -0.02 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.72 2wat h ASP 1875Cb 0.09 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.66 2wat h ASP 1875CO 0.03 0.00 -1.42 -0.07 -1.72 0.00 0.00 179.24 176.06 2wat h LEU 1876N 0.00 0.64 -7.07 1.55 3.38 -1.97 -3.45 115.31 108.39 2wat h LEU 1876Ca 0.05 -0.71 0.19 0.00 0.09 0.00 0.00 57.88 57.50 2wat h LEU 1876Cb 0.23 -0.21 -0.16 0.00 0.09 0.00 0.00 40.66 40.61 2wat h LEU 1876CO -0.00 1.57 0.65 0.00 0.09 0.00 0.00 178.44 180.75 2wat s GLN 1877N -2.62 0.60 0.07 1.13 -2.07 -1.03 -4.23 119.66 111.52 2wat s GLN 1877Ca -0.08 -0.25 -0.01 0.00 -1.82 0.00 0.00 55.36 53.21 2wat s GLN 1877Cb 0.05 0.26 -0.04 0.00 -1.09 0.00 0.00 33.01 32.19 2wat s GLN 1877CO 0.91 -0.27 0.24 0.00 -1.32 0.00 0.00 175.29 174.85 2wat s ALA 1878N -2.78 3.98 -0.01 2.60 0.00 0.12 -1.62 121.76 124.05 2wat s ALA 1878Ca 0.08 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 2wat s ALA 1878Cb -0.01 -1.87 -0.00 0.00 0.00 0.00 0.00 23.12 21.24 2wat s ALA 1878CO -0.06 0.80 0.08 0.54 0.00 0.00 0.00 175.76 177.12 2wat s VAL 1879N -1.54 0.06 0.02 0.00 0.11 0.63 -0.27 120.40 119.41 2wat s VAL 1879Ca 0.36 -0.47 0.01 0.00 -2.93 0.00 0.00 61.98 58.94 2wat s VAL 1879Cb -0.13 -0.28 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 2wat s VAL 1879CO 0.28 -0.26 -0.03 0.00 -3.33 0.00 0.00 175.10 171.75 2wat s ALA 1880N -0.84 0.20 -0.06 1.54 0.00 -0.39 -0.77 121.76 121.46 2wat s ALA 1880Ca -0.09 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.48 2wat s ALA 1880Cb -0.05 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.13 2wat s ALA 1880CO 0.00 -0.06 -0.12 0.08 0.00 0.00 0.00 175.76 175.67 2wat s VAL 1881N -0.87 1.10 0.10 0.00 1.01 -0.64 -1.54 120.40 119.56 2wat s VAL 1881Ca -0.08 -0.48 0.10 0.00 0.00 0.00 0.00 61.98 61.52 2wat s VAL 1881Cb -0.06 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 2wat s VAL 1881CO -0.00 0.34 -0.26 0.00 0.00 0.00 0.00 175.10 175.18 2wat s ALA 1882N 0.54 2.26 -0.04 5.51 0.00 0.34 -1.05 121.76 129.33 2wat s ALA 1882Ca -0.12 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.48 2wat s ALA 1882Cb -0.14 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.60 2wat s ALA 1882CO 0.03 0.51 -0.07 0.14 0.00 0.00 0.00 175.76 176.37 2wat s VAL 1883N -0.99 0.68 0.17 0.00 -7.23 -0.46 -0.29 120.40 112.28 2wat s VAL 1883Ca 0.12 -0.25 0.08 0.00 -1.81 0.00 0.00 61.98 60.12 2wat s VAL 1883Cb -0.10 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 36.15 2wat s VAL 1883CO 0.05 0.24 -0.07 -0.94 -0.31 0.00 0.00 175.10 174.06 2wat s SER 1884N 0.54 4.39 0.03 4.85 1.04 -0.18 -1.22 113.70 123.15 2wat s SER 1884Ca -0.08 -0.52 0.08 0.00 0.48 0.00 0.00 55.95 55.91 2wat s SER 1884Cb -0.12 -0.80 -0.02 0.00 0.10 0.00 0.00 66.02 65.18 2wat s SER 1884CO 0.01 0.11 -0.23 -0.89 0.98 0.00 0.00 173.24 173.22 2wat s THR 1885N -1.66 1.82 -0.41 2.02 2.01 -0.23 -2.14 115.64 117.04 2wat s THR 1885Ca 0.25 -1.18 0.03 0.00 0.31 0.00 0.00 61.69 61.10 2wat s THR 1885Cb -0.09 -1.56 0.03 0.00 0.01 0.00 0.00 72.50 70.89 2wat s THR 1885CO 0.16 0.33 0.60 0.29 -0.69 0.00 0.00 174.62 175.31