#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 -0.27 0.03 -0.02 0.00 -1.10 -4.94 107.32 101.01 2wat s GLY 1768Ca 0.00 1.92 0.01 0.00 0.00 0.00 0.00 44.72 46.65 2wat s GLY 1768CO 0.00 0.91 -0.05 0.54 0.00 0.00 0.00 173.10 174.50 2wat s VAL 1769N -1.46 0.26 -0.03 1.40 0.11 -1.26 -1.40 120.40 118.02 2wat s VAL 1769Ca 0.01 -0.98 -0.04 0.00 -2.93 0.00 0.00 61.98 58.04 2wat s VAL 1769Cb -0.01 -0.39 0.01 0.00 -1.53 0.00 0.00 36.38 34.46 2wat s VAL 1769CO -0.01 -0.47 0.10 -0.83 -3.33 0.00 0.00 175.10 170.56 2wat s GLY 1770N -1.52 -0.03 0.01 6.54 0.00 0.10 -3.82 107.32 108.59 2wat s GLY 1770Ca -0.14 0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.75 2wat s GLY 1770CO -0.01 0.10 -0.03 0.54 0.00 0.00 0.00 173.10 173.70 2wat s VAL 1771N -0.31 0.18 -0.09 1.40 0.11 -1.26 -0.63 120.40 119.80 2wat s VAL 1771Ca -0.04 -0.54 -0.10 0.00 -2.93 0.00 0.00 61.98 58.37 2wat s VAL 1771Cb -0.03 -0.24 0.02 0.00 -1.53 0.00 0.00 36.38 34.61 2wat s VAL 1771CO 0.00 -0.24 0.27 -0.62 -3.33 0.00 0.00 175.10 171.19 2wat s ASP 1772N -0.82 -0.26 -0.03 3.54 2.15 -0.81 -4.65 116.67 115.79 2wat s ASP 1772Ca -0.07 0.47 0.05 0.00 0.43 0.00 0.00 52.55 53.43 2wat s ASP 1772Cb -0.06 0.52 -0.01 0.00 -0.30 0.00 0.00 42.92 43.07 2wat s ASP 1772CO -0.00 -0.14 -0.18 0.54 -0.17 0.00 0.00 175.17 175.22 2wat s VAL 1773N -0.06 1.47 0.00 1.11 0.11 -1.26 -1.58 120.40 120.20 2wat s VAL 1773Ca -0.02 -0.77 0.02 0.00 -2.93 0.00 0.00 61.98 58.27 2wat s VAL 1773Cb -0.02 -1.24 -0.01 0.00 -1.53 0.00 0.00 36.38 33.58 2wat s VAL 1773CO 0.01 0.42 -0.06 -1.61 -3.33 0.00 0.00 175.10 170.53 2wat s GLU 1774N -0.25 0.44 0.27 1.54 0.41 -0.09 -4.98 118.70 116.03 2wat s GLU 1774Ca 0.03 -0.25 -0.30 0.00 -0.41 0.00 0.00 54.97 54.04 2wat s GLU 1774Cb -0.09 -0.40 -0.10 0.00 -1.78 0.00 0.00 34.13 31.76 2wat s GLU 1774CO 0.00 0.11 1.44 -0.51 -0.49 0.00 0.00 175.26 175.81 2wat s LEU 1775N -0.29 4.38 0.28 1.80 1.02 -1.26 -0.64 118.68 123.97 2wat s LEU 1775Ca 0.01 2.70 0.00 0.00 0.02 0.00 0.00 54.13 56.86 2wat s LEU 1775Cb -0.03 -3.63 0.52 0.00 0.02 0.00 0.00 46.19 43.07 2wat s LEU 1775CO -0.00 -0.70 1.85 0.40 0.02 0.00 0.00 176.35 177.92 2wat h ILE 1776N 3.46 0.97 0.00 -0.59 1.08 -1.26 -1.01 117.51 120.16 2wat h ILE 1776Ca -0.47 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.65 2wat h ILE 1776Cb 1.22 -0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 2wat h ILE 1776CO 0.76 0.19 0.00 0.35 -0.69 0.00 0.00 178.15 178.76 2wat n THR 1777N -4.58 0.13 0.25 -0.27 -2.24 -1.26 -2.69 114.28 103.61 2wat n THR 1777Ca 0.18 0.03 0.13 0.00 -2.27 0.00 0.00 64.05 62.12 2wat n THR 1777Cb 0.31 -0.71 0.55 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 -3.77 3.42 4.64 -1.56 -3.41 113.55 112.88 2wat h SER 1778Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 2wat h SER 1778Cb 0.06 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.99 2wat h SER 1778CO 0.00 0.12 -0.32 -0.63 -0.87 0.00 0.00 176.83 175.13 2wat s ILE 1779N -3.67 5.21 -0.50 0.95 -1.09 -1.10 -5.04 121.20 115.97 2wat s ILE 1779Ca 0.01 0.39 -0.17 0.00 -2.23 0.00 0.00 60.65 58.66 2wat s ILE 1779Cb 0.10 -3.66 0.08 0.00 -1.58 0.00 0.00 42.46 37.39 2wat s ILE 1779CO 0.60 0.16 0.48 0.21 -1.23 0.00 0.00 174.94 175.16 2wat s ASN 1780N 1.69 6.17 0.62 3.58 3.84 -1.26 -4.93 114.94 124.65 2wat s ASN 1780Ca 0.12 -1.29 0.37 0.00 0.21 0.00 0.00 52.86 52.28 2wat s ASN 1780Cb -0.16 -2.22 2.05 0.00 -0.55 0.00 0.00 41.25 40.37 2wat s ASN 1780CO 0.10 -0.76 2.27 0.58 -2.79 0.00 0.00 177.10 176.50 2wat h VAL 1781N 5.81 0.23 0.00 -5.21 2.07 -1.97 -0.92 116.25 116.26 2wat h VAL 1781Ca -0.28 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 67.02 2wat h VAL 1781Cb 1.10 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2wat h VAL 1781CO 0.93 0.02 -0.50 -0.33 0.02 0.00 0.00 177.57 177.71 2wat h GLU 1782N 0.00 0.00 -5.40 1.57 3.07 -2.04 -3.40 114.58 108.37 2wat h GLU 1782Ca -0.00 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.32 2wat h GLU 1782Cb 0.09 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.95 2wat h GLU 1782CO 0.00 0.50 1.84 -1.71 -1.40 0.00 0.00 179.01 178.24 2wat n ASN 1783N -3.29 3.86 -0.14 1.42 2.85 -0.35 -4.75 115.26 114.86 2wat n ASN 1783Ca 0.01 -2.80 0.13 0.00 -0.11 0.00 0.00 54.58 51.81 2wat n ASN 1783Cb 0.70 -1.68 0.48 0.00 1.24 0.00 0.00 39.78 40.53 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 8.32 0.42 -0.04 1.20 3.32 -1.84 -1.63 116.42 126.18 2wat h ASP 1784Ca 0.36 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 2wat h ASP 1784Cb 0.86 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 2wat h ASP 1784CO 1.45 0.24 0.01 0.74 -1.72 0.00 0.00 179.24 179.96 2wat h THR 1785N 0.46 1.17 -0.25 0.35 2.02 -1.97 0.35 112.91 115.04 2wat h THR 1785Ca 0.33 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 2wat h THR 1785Cb 0.67 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 2wat h THR 1785CO -0.11 0.14 0.16 0.15 0.37 0.00 0.00 175.52 176.23 2wat h PHE 1786N -0.14 0.33 0.36 3.16 3.57 -1.76 -2.09 116.94 120.36 2wat h PHE 1786Ca 0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2wat h PHE 1786Cb 0.21 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.85 2wat h PHE 1786CO -0.00 0.24 -0.17 0.82 -2.23 0.00 0.00 178.31 176.96 2wat h ILE 1787N 0.32 0.65 -0.35 1.41 1.08 -1.23 -2.77 117.51 116.62 2wat h ILE 1787Ca 0.09 -0.08 0.05 0.00 -0.39 0.00 0.00 64.86 64.53 2wat h ILE 1787Cb -0.00 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 2wat h ILE 1787CO -0.02 0.02 0.24 -0.33 -0.69 0.00 0.00 178.15 177.37 2wat h GLU 1788N -0.53 0.26 0.00 2.37 3.07 -0.94 -1.11 114.58 117.71 2wat h GLU 1788Ca -0.05 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.65 2wat h GLU 1788Cb 0.40 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 2wat h GLU 1788CO 0.08 0.17 -0.67 -0.09 -1.40 0.00 0.00 179.01 177.11 2wat h ARG 1789N 0.27 0.00 0.00 2.33 2.43 -1.16 -3.37 114.38 114.88 2wat h ARG 1789Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 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 -0.03 0.67 -0.53 0.09 -1.51 0.00 0.00 179.97 178.66 2wat n ASN 1790N -3.73 1.31 -4.17 -3.80 3.02 -0.94 -4.10 115.26 102.86 2wat n ASN 1790Ca -0.01 -0.43 -0.27 0.00 -0.03 0.00 0.00 54.58 53.84 2wat n ASN 1790Cb 0.66 1.07 -0.16 0.00 -0.61 0.00 0.00 39.78 40.74 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 -1.73 1.78 0.75 3.10 0.08 -0.46 -3.29 117.98 118.21 2wat s PHE 1791Ca 0.01 -0.44 -0.11 0.00 0.12 0.00 0.00 56.93 56.51 2wat s PHE 1791Cb 0.04 -1.17 0.04 0.00 -0.57 0.00 0.00 43.02 41.36 2wat s PHE 1791CO 0.20 -0.11 1.08 0.95 -0.10 0.00 0.00 175.22 177.24 2wat s THR 1792N -0.20 3.56 0.32 0.64 -4.23 -1.26 -4.67 115.64 109.79 2wat s THR 1792Ca 0.01 0.51 0.06 0.00 -1.18 0.00 0.00 61.69 61.08 2wat s THR 1792Cb -0.10 -3.13 0.30 0.00 1.34 0.00 0.00 72.50 70.92 2wat s THR 1792CO 0.01 -0.66 1.83 -0.65 -0.54 0.00 0.00 174.62 174.61 2wat h PRO 1793N -0.98 0.79 -0.12 3.99 0.11 -1.97 -0.76 132.00 133.07 2wat h PRO 1793Ca -0.44 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.45 2wat h PRO 1793Cb 1.23 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2wat h PRO 1793CO 0.55 0.53 -0.63 -0.56 -0.21 0.00 0.00 178.00 177.68 2wat h GLN 1794N 0.82 0.42 -0.67 1.05 -0.00 -1.99 -1.02 115.11 113.72 2wat h GLN 1794Ca 0.50 -0.29 -0.00 0.00 -0.00 0.00 0.00 58.65 58.85 2wat h GLN 1794Cb 0.70 0.05 -0.03 0.00 -0.00 0.00 0.00 27.48 28.19 2wat h GLN 1794CO -0.27 0.91 0.40 0.93 -0.00 0.00 0.00 178.83 180.80 2wat h GLU 1795N 0.31 0.91 -0.78 0.06 5.08 -1.59 -0.00 114.58 118.56 2wat h GLU 1795Ca -0.01 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2wat h GLU 1795Cb 1.17 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 2wat h GLU 1795CO 0.11 0.65 0.28 0.82 -1.00 0.00 0.00 179.01 179.87 2wat h ILE 1796N 0.91 1.26 -0.39 3.13 2.04 -1.06 -0.70 117.51 122.70 2wat h ILE 1796Ca 0.24 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 2wat h ILE 1796Cb -0.02 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 2wat h ILE 1796CO -0.04 0.35 0.02 -0.08 0.00 0.00 0.00 178.15 178.40 2wat h GLU 1797N 1.15 0.67 0.55 2.37 4.81 -0.79 -0.63 114.58 122.71 2wat h GLU 1797Ca 0.26 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2wat h GLU 1797Cb 0.26 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.58 2wat h GLU 1797CO -0.02 0.75 -0.26 -0.92 -0.73 0.00 0.00 179.01 177.83 2wat h TYR 1798N 0.51 -0.69 -0.94 0.92 3.20 -0.73 -2.91 116.97 116.33 2wat h TYR 1798Ca 0.11 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2wat h TYR 1798Cb 0.43 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.88 2wat h TYR 1798CO 0.03 -0.40 0.62 0.00 -1.64 0.00 0.00 178.16 176.77 2wat h SER 1800N 1.26 0.00 -0.02 0.00 0.02 -1.08 -2.63 113.55 111.10 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 -0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2wat h SER 1800CO -0.08 0.00 -0.10 0.00 -1.14 0.00 0.00 176.83 175.51 2wat n ALA 1801N -1.89 2.69 -2.01 3.77 0.00 -0.48 -4.93 120.51 117.65 2wat n ALA 1801Ca -0.01 -0.65 -0.29 0.00 0.00 0.00 0.00 53.44 52.49 2wat n ALA 1801Cb 0.12 -0.69 0.01 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.84 3.49 0.19 0.00 -1.52 -0.99 -4.99 119.66 114.00 2wat s GLN 1802Ca 0.22 0.51 -0.12 0.00 -1.95 0.00 0.00 55.36 54.02 2wat s GLN 1802Cb 0.17 -2.18 0.19 0.00 -0.22 0.00 0.00 33.01 30.96 2wat s GLN 1802CO 0.32 -0.49 1.78 -1.35 -0.25 0.00 0.00 175.29 175.29 2wat h PRO 1803N -0.16 0.48 -4.57 2.91 0.11 -1.94 -3.32 132.00 125.52 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 1.20 -0.11 -0.35 0.00 0.11 0.00 0.00 31.00 31.86 2wat h PRO 1803CO 0.62 0.32 -0.60 0.45 -0.21 0.00 0.00 178.00 178.57 2wat s SER 1804N -5.47 5.12 0.09 -2.05 0.15 -1.26 -4.99 113.70 105.28 2wat s SER 1804Ca -0.13 -1.90 -0.18 0.00 0.70 0.00 0.00 55.95 54.43 2wat s SER 1804Cb 0.15 -1.78 -0.07 0.00 -1.71 0.00 0.00 66.02 62.61 2wat s SER 1804CO 0.74 -0.47 1.55 0.58 1.20 0.00 0.00 173.24 176.84 2wat h VAL 1805N 6.41 1.24 -0.67 4.45 2.07 -1.78 -1.85 116.25 126.13 2wat h VAL 1805Ca -0.13 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 2wat h VAL 1805Cb 1.05 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 2wat h VAL 1805CO 0.64 0.27 0.40 -0.61 0.02 0.00 0.00 177.57 178.28 2wat h GLN 1806N 0.24 0.92 -0.55 1.57 4.15 -1.94 -1.54 115.11 117.96 2wat h GLN 1806Ca 0.08 -0.09 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 2wat h GLN 1806Cb 0.37 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 2wat h GLN 1806CO 0.01 0.66 0.07 1.03 -1.93 0.00 0.00 178.83 178.67 2wat h SER 1807N 0.91 0.84 -0.32 -0.69 0.87 -1.82 -1.52 113.55 111.82 2wat h SER 1807Ca 0.24 -0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 60.53 2wat h SER 1807Cb -0.01 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 2wat h SER 1807CO -0.04 0.86 -0.14 -1.28 -0.53 0.00 0.00 176.83 175.69 2wat h SER 1808N 0.84 0.69 -0.81 6.23 0.87 -0.89 -0.73 113.55 119.74 2wat h SER 1808Ca 0.17 -0.40 -0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2wat h SER 1808Cb 0.39 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 2wat h SER 1808CO 0.01 0.93 0.49 -0.26 -0.53 0.00 0.00 176.83 177.47 2wat h PHE 1809N 0.44 1.07 -0.58 2.24 0.04 -1.19 -1.42 116.94 117.53 2wat h PHE 1809Ca 0.07 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.81 2wat h PHE 1809Cb 0.67 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.44 2wat h PHE 1809CO 0.06 0.71 0.22 0.00 -0.60 0.00 0.00 178.31 178.70 2wat h ALA 1810N 1.26 0.76 -0.63 2.45 0.00 -0.98 0.94 119.26 123.07 2wat h ALA 1810Ca 0.29 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2wat h ALA 1810Cb -0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2wat h ALA 1810CO -0.05 0.39 0.19 0.78 0.00 0.00 0.00 179.25 180.56 2wat h GLY 1811N 0.81 1.05 1.12 0.00 0.00 -0.97 -0.91 103.07 104.18 2wat h GLY 1811Ca 0.19 -0.62 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 2wat h GLY 1811CO -0.01 0.58 0.08 -0.84 0.00 0.00 0.00 176.54 176.35 2wat h THR 1812N 0.90 1.26 -0.43 4.70 2.02 -0.93 -0.79 112.91 119.63 2wat h THR 1812Ca 0.20 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 2wat h THR 1812Cb 0.29 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 2wat h THR 1812CO -0.01 0.39 0.22 -0.25 0.37 0.00 0.00 175.52 176.24 2wat h TRP 1813N 0.99 0.61 -1.00 3.16 2.91 -0.64 -1.45 115.95 120.54 2wat h TRP 1813Ca 0.19 -0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.20 2wat h TRP 1813Cb 0.46 -0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 28.87 2wat h TRP 1813CO 0.03 0.49 0.66 0.77 -1.03 0.00 0.00 178.44 179.36 2wat h SER 1814N 0.56 1.14 -0.60 2.65 0.02 -0.88 -2.02 113.55 114.42 2wat h SER 1814Ca 0.15 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2wat h SER 1814Cb 0.10 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 2wat h SER 1814CO -0.02 0.83 0.24 0.00 -1.14 0.00 0.00 176.83 176.73 2wat h ALA 1815N 1.38 0.78 -0.38 3.77 0.00 -0.85 0.46 119.26 124.42 2wat h ALA 1815Ca 0.37 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2wat h ALA 1815Cb -0.15 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 2wat h ALA 1815CO -0.08 0.40 0.21 0.87 0.00 0.00 0.00 179.25 180.64 2wat h LYS 1816N 0.83 0.41 -0.41 0.00 1.57 -0.85 -0.18 116.57 117.94 2wat h LYS 1816Ca 0.20 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2wat h LYS 1816Cb 0.21 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2wat h LYS 1816CO -0.02 0.27 0.02 0.93 -0.57 0.00 0.00 179.45 180.08 2wat h GLU 1817N 0.42 0.71 -0.09 3.15 4.39 -1.11 -1.19 114.58 120.86 2wat h GLU 1817Ca 0.15 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.64 2wat h GLU 1817Cb 0.03 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2wat h GLU 1817CO -0.08 0.78 0.03 0.00 -1.16 0.00 0.00 179.01 178.58 2wat h ALA 1818N 0.90 0.09 -0.46 3.43 0.00 -0.72 -1.36 119.26 121.14 2wat h ALA 1818Ca 0.12 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2wat h ALA 1818Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2wat h ALA 1818CO 0.02 -0.44 0.17 0.28 0.00 0.00 0.00 179.25 179.28 2wat h VAL 1819N 0.07 0.86 -0.64 0.00 2.07 -0.90 -2.26 116.25 115.45 2wat h VAL 1819Ca 0.04 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.49 2wat h VAL 1819Cb 0.02 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 2wat h VAL 1819CO -0.04 0.06 0.35 0.15 0.02 0.00 0.00 177.57 178.12 2wat h PHE 1820N 0.35 0.65 0.00 1.57 3.57 -0.80 -1.99 116.94 120.29 2wat h PHE 1820Ca 0.22 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 2wat h PHE 1820Cb 0.21 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2wat h PHE 1820CO -0.15 0.31 -0.19 0.87 -2.23 0.00 0.00 178.31 176.92 2wat h LYS 1821N 0.66 0.00 0.00 1.11 1.57 -0.79 -2.42 116.57 116.70 2wat h LYS 1821Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2wat h LYS 1821Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2wat h LYS 1821CO -0.18 0.19 0.00 0.66 -0.57 0.00 0.00 179.45 179.55 2wat h SER 1822N 0.00 0.00 0.80 0.86 4.64 -0.80 -3.29 113.55 115.76 2wat h SER 1822Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2wat h SER 1822Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 2wat h SER 1822CO 0.02 0.00 -0.61 -0.07 -0.87 0.00 0.00 176.83 175.30 2wat h LEU 1823N 0.00 0.00 -1.80 5.97 3.38 -1.27 -3.39 115.31 118.21 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 0.76 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.58 2wat h LEU 1823CO 0.00 0.61 -0.34 0.61 0.09 0.00 0.00 178.44 179.41 2wat n GLY 1824N 0.49 0.09 3.47 0.83 0.00 -1.24 -4.90 105.19 103.93 2wat n GLY 1824Ca -0.01 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 1.23 0.26 1.61 -7.23 -1.26 -4.98 120.40 106.86 2wat s VAL 1825Ca 0.01 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.89 2wat s VAL 1825Cb -0.01 -2.79 -0.09 0.00 0.56 0.00 0.00 36.38 34.05 2wat s VAL 1825CO 0.32 0.00 0.95 -0.75 -0.31 0.00 0.00 175.10 175.31 2wat s LYS 1826N -3.87 4.80 0.29 4.82 2.20 -1.26 -5.02 119.74 121.70 2wat s LYS 1826Ca 0.36 1.48 -0.29 0.00 -0.36 0.00 0.00 55.97 57.16 2wat s LYS 1826Cb 0.09 -3.20 -0.10 0.00 -1.51 0.00 0.00 37.83 33.11 2wat s LYS 1826CO 0.16 0.47 1.17 0.45 -0.36 0.00 0.00 175.35 177.23 2wat s SER 1827N -1.23 7.11 0.00 1.43 0.15 -1.26 -4.93 113.70 114.98 2wat s SER 1827Ca 0.43 2.39 0.30 0.00 0.70 0.00 0.00 55.95 59.77 2wat s SER 1827Cb -0.25 -2.63 1.53 0.00 -1.71 0.00 0.00 66.02 62.96 2wat s SER 1827CO 0.31 -0.27 2.05 0.18 1.20 0.00 0.00 173.24 176.71 2wat n LEU 1828N 1.16 0.12 0.00 3.45 4.77 -1.26 -4.99 117.00 120.25 2wat n LEU 1828Ca -0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2wat n LEU 1828Cb 0.44 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2wat n LEU 1828CO 0.56 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2wat n GLY 1829N 1.23 3.83 0.41 -0.72 0.00 -1.26 -4.76 105.19 103.92 2wat n GLY 1829Ca 0.16 -1.59 0.22 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.93 -0.02 0.00 -2.05 -1.89 103.07 97.19 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 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2wat n GLY 1831N -1.54 1.04 3.75 4.60 0.00 -1.26 -4.98 105.19 106.80 2wat n GLY 1831Ca 0.11 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.85 3.51 0.69 4.61 0.00 -0.71 -4.99 121.76 123.03 2wat s ALA 1832Ca 0.29 1.16 -0.15 0.00 0.00 0.00 0.00 51.96 53.26 2wat s ALA 1832Cb 0.20 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.87 2wat s ALA 1832CO 0.29 -0.55 1.14 0.00 0.00 0.00 0.00 175.76 176.65 2wat s ALA 1833N -0.50 2.31 -0.17 0.00 0.00 -1.26 -4.98 121.76 117.17 2wat s ALA 1833Ca 0.53 0.65 0.17 0.00 0.00 0.00 0.00 51.96 53.31 2wat s ALA 1833Cb -0.38 -3.37 0.42 0.00 0.00 0.00 0.00 23.12 19.79 2wat s ALA 1833CO 0.44 -1.54 1.30 1.28 0.00 0.00 0.00 175.76 177.24 2wat n LEU 1834N -2.61 3.20 0.25 0.00 7.99 -1.26 -4.69 117.00 119.88 2wat n LEU 1834Ca 0.11 -3.12 0.09 0.00 -0.01 0.00 0.00 56.01 53.09 2wat n LEU 1834Cb 0.51 -0.50 0.66 0.00 -0.11 0.00 0.00 43.42 43.98 2wat n LEU 1834CO 0.48 0.75 0.99 0.50 -1.51 0.00 0.00 177.39 178.59 2wat h LYS 1835N 0.95 0.00 0.00 3.23 3.64 -1.70 -2.34 116.57 120.36 2wat h LYS 1835Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2wat h LYS 1835Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2wat h LYS 1835CO 0.13 0.11 0.00 -0.44 -2.27 0.00 0.00 179.45 176.98 2wat h ASP 1836N 0.00 0.00 -3.31 4.20 3.32 -1.86 -3.37 116.42 115.40 2wat h ASP 1836Ca -0.00 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 56.32 2wat h ASP 1836Cb 0.22 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.51 2wat h ASP 1836CO 0.01 0.00 -0.36 -0.63 -1.72 0.00 0.00 179.24 176.54 2wat s ILE 1837N -3.74 4.71 -0.16 0.35 1.01 -0.88 -0.21 121.20 122.28 2wat s ILE 1837Ca -0.00 -1.40 -0.06 0.00 0.00 0.00 0.00 60.65 59.18 2wat s ILE 1837Cb 0.10 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2wat s ILE 1837CO 0.46 -0.65 0.06 -0.70 0.00 0.00 0.00 174.94 174.10 2wat s GLU 1838N 1.51 3.73 -0.28 2.79 2.12 -0.14 -4.86 118.70 123.56 2wat s GLU 1838Ca 0.04 -0.33 -0.12 0.00 0.36 0.00 0.00 54.97 54.92 2wat s GLU 1838Cb -0.25 -3.13 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 2wat s GLU 1838CO 0.03 0.42 0.23 0.42 -0.54 0.00 0.00 175.26 175.81 2wat s ILE 1839N -0.04 5.28 -0.18 -3.70 -1.09 -1.26 -1.26 121.20 118.96 2wat s ILE 1839Ca 0.06 0.25 -0.02 0.00 -2.23 0.00 0.00 60.65 58.71 2wat s ILE 1839Cb -0.12 -3.56 -0.01 0.00 -1.58 0.00 0.00 42.46 37.18 2wat s ILE 1839CO 0.01 0.24 -0.08 0.68 -1.23 0.00 0.00 174.94 174.56 2wat s VAL 1840N 1.79 3.28 -0.22 2.92 -7.23 -0.67 -4.72 120.40 115.56 2wat s VAL 1840Ca 0.09 -0.55 -0.10 0.00 -1.81 0.00 0.00 61.98 59.61 2wat s VAL 1840Cb -0.16 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 2wat s VAL 1840CO 0.11 0.47 0.13 -0.13 -0.31 0.00 0.00 175.10 175.37 2wat s ARG 1841N 0.92 4.08 0.07 4.82 1.81 -1.26 -1.35 118.95 128.04 2wat s ARG 1841Ca -0.01 -0.27 0.00 0.00 -1.72 0.00 0.00 55.73 53.72 2wat s ARG 1841Cb -0.15 -3.44 0.00 0.00 -0.45 0.00 0.00 34.95 30.91 2wat s ARG 1841CO 0.00 0.16 0.00 0.28 -0.68 0.00 0.00 175.30 175.07 2wat n VAL 1842N 3.95 0.74 -3.12 3.52 0.31 -1.26 -4.91 118.33 117.55 2wat n VAL 1842Ca -0.16 0.24 -0.43 0.00 -0.01 0.00 0.00 64.34 63.99 2wat n VAL 1842Cb 0.52 -1.31 -0.07 0.00 -0.91 0.00 0.00 33.84 32.07 2wat n VAL 1842CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2wat s ASN 1843N -5.57 6.32 0.00 4.52 2.47 -1.26 -4.97 114.94 116.44 2wat s ASN 1843Ca 0.00 -0.37 0.19 0.00 0.42 0.00 0.00 52.86 53.10 2wat s ASN 1843Cb 0.00 -2.32 0.97 0.00 -1.45 0.00 0.00 41.25 38.45 2wat s ASN 1843CO 0.00 -0.78 1.58 2.29 -3.72 0.00 0.00 177.10 176.47 2wat n LYS 1844N 6.24 0.30 0.06 0.43 2.85 -1.26 -1.17 118.16 125.61 2wat n LYS 1844Ca -0.02 0.10 -0.04 0.00 -1.05 0.00 0.00 58.31 57.30 2wat n LYS 1844Cb 0.48 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.28 2wat n LYS 1844CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 2wat h ASN 1845N 0.00 0.00 -2.19 -5.58 2.35 -1.97 -3.38 115.58 104.81 2wat h ASN 1845Ca 0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.15 2wat h ASN 1845Cb 0.16 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 38.11 2wat h ASN 1845CO 0.00 0.80 -0.63 0.00 -1.65 0.00 0.00 177.43 175.95 2wat n ALA 1846N -2.37 4.01 -0.72 -0.83 0.00 -0.31 -4.71 120.51 115.58 2wat n ALA 1846Ca -0.05 -4.67 -0.32 0.00 0.00 0.00 0.00 53.44 48.40 2wat n ALA 1846Cb 0.89 -0.88 0.15 0.00 0.00 0.00 0.00 19.45 19.62 2wat n ALA 1846CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wat n PRO 1847N 0.78 -0.40 -4.43 0.00 -0.02 -1.09 -4.51 135.00 125.33 2wat n PRO 1847Ca 0.29 -0.06 -0.23 0.00 -2.02 0.00 0.00 63.50 61.48 2wat n PRO 1847Cb 0.42 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.59 2wat n PRO 1847CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wat s ALA 1848N -2.55 2.52 -0.12 3.55 0.00 -0.46 -4.46 121.76 120.24 2wat s ALA 1848Ca 0.64 -1.77 -0.03 0.00 0.00 0.00 0.00 51.96 50.80 2wat s ALA 1848Cb -0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 2wat s ALA 1848CO 0.61 0.26 -0.03 0.08 0.00 0.00 0.00 175.76 176.68 2wat s VAL 1849N -2.42 4.01 -0.10 0.00 1.01 -1.26 -1.67 120.40 119.97 2wat s VAL 1849Ca 0.26 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.90 2wat s VAL 1849Cb -0.05 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.64 2wat s VAL 1849CO 0.12 0.54 -0.08 -1.61 0.00 0.00 0.00 175.10 174.07 2wat s GLU 1850N -0.17 1.53 -0.05 2.72 2.02 -0.38 -4.91 118.70 119.46 2wat s GLU 1850Ca 0.04 -0.27 -0.12 0.00 0.02 0.00 0.00 54.97 54.64 2wat s GLU 1850Cb -0.13 -1.54 -0.05 0.00 0.10 0.00 0.00 34.13 32.51 2wat s GLU 1850CO 0.02 -0.22 0.31 -0.51 0.02 0.00 0.00 175.26 174.88 2wat s LEU 1851N 1.54 4.44 0.31 1.80 1.43 -1.26 -0.97 118.68 125.97 2wat s LEU 1851Ca 0.02 0.77 0.03 0.00 -1.03 0.00 0.00 54.13 53.91 2wat s LEU 1851Cb -0.13 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 2wat s LEU 1851CO -0.06 0.35 0.09 -1.00 0.23 0.00 0.00 176.35 175.95 2wat s HIS 1852N -1.01 1.76 0.00 0.29 3.76 0.70 -4.61 115.29 116.19 2wat s HIS 1852Ca 0.20 -1.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.00 2wat s HIS 1852Cb -0.15 -1.10 0.00 0.00 1.11 0.00 0.00 32.58 32.45 2wat s HIS 1852CO 0.10 -0.20 0.00 0.41 -0.85 0.00 0.00 174.74 174.20 2wat n GLY 1853N -0.62 2.99 0.29 -2.22 0.00 -1.26 -1.85 105.19 102.52 2wat n GLY 1853Ca -0.02 0.02 -0.04 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 0.75 -0.74 1.61 2.35 -1.98 -2.40 115.58 115.17 2wat h ASN 1854Ca 0.00 -0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.59 2wat h ASN 1854Cb 0.00 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 2wat h ASN 1854CO 0.00 0.80 0.49 0.00 -1.65 0.00 0.00 177.43 177.07 2wat h ALA 1855N 1.29 0.95 -0.04 -0.83 0.00 -1.70 0.85 119.26 119.77 2wat h ALA 1855Ca 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wat h ALA 1855Cb 0.42 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2wat h ALA 1855CO 0.02 0.33 0.01 -0.22 0.00 0.00 0.00 179.25 179.39 2wat h LYS 1856N 0.98 0.06 0.14 0.00 3.64 -1.07 -0.57 116.57 119.77 2wat h LYS 1856Ca 0.28 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2wat h LYS 1856Cb -0.08 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2wat h LYS 1856CO -0.07 0.24 -0.20 0.87 -2.27 0.00 0.00 179.45 178.02 2wat h LYS 1857N -0.13 -0.39 -0.85 1.90 1.57 -1.19 0.01 116.57 117.50 2wat h LYS 1857Ca 0.01 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2wat h LYS 1857Cb 0.21 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 2wat h LYS 1857CO -0.00 -0.26 0.54 0.00 -0.57 0.00 0.00 179.45 179.16 2wat h ALA 1858N 0.38 1.13 -0.00 3.86 0.00 -0.80 0.10 119.26 123.93 2wat h ALA 1858Ca 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wat h ALA 1858Cb 0.40 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2wat h ALA 1858CO -0.09 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.52 2wat h ALA 1859N 1.36 0.00 -0.89 0.00 0.00 -0.82 -1.65 119.26 117.27 2wat h ALA 1859Ca 0.35 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.20 2wat h ALA 1859Cb 0.04 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2wat h ALA 1859CO -0.13 -0.40 0.57 0.93 0.00 0.00 0.00 179.25 180.22 2wat h GLU 1860N -0.18 1.08 0.00 0.00 5.08 -0.67 -0.10 114.58 119.79 2wat h GLU 1860Ca 0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2wat h GLU 1860Cb 0.19 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2wat h GLU 1860CO -0.00 0.72 -0.06 1.49 -1.00 0.00 0.00 179.01 180.16 2wat h GLU 1861N 1.12 0.00 -0.02 2.33 4.81 -0.64 -0.92 114.58 121.27 2wat h GLU 1861Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 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 -0.12 0.06 -0.13 0.00 -0.73 0.00 0.00 179.01 178.09 2wat n ALA 1862N -2.29 2.81 -0.95 2.92 0.00 -0.18 -4.95 120.51 117.86 2wat n ALA 1862Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2wat n ALA 1862Cb 0.16 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 0.50 3.69 0.00 0.00 -0.35 -5.01 105.19 105.34 2wat n GLY 1863Ca 0.14 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 3.47 -0.21 1.61 1.01 -0.43 -4.35 120.40 119.51 2wat s VAL 1864Ca 0.00 0.92 0.13 0.00 0.00 0.00 0.00 61.98 63.03 2wat s VAL 1864Cb 0.00 -3.59 -0.18 0.00 0.00 0.00 0.00 36.38 32.61 2wat s VAL 1864CO 0.00 0.01 0.36 0.35 0.00 0.00 0.00 175.10 175.83 2wat n THR 1865N 4.53 0.00 -3.55 3.92 -2.24 0.85 -4.45 114.28 113.34 2wat n THR 1865Ca 0.13 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.51 2wat n THR 1865Cb 0.43 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 69.07 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 -3.05 -0.51 -0.03 3.42 2.15 -1.19 -4.99 116.67 112.46 2wat s ASP 1866Ca -0.02 0.54 0.00 0.00 0.43 0.00 0.00 52.55 53.51 2wat s ASP 1866Cb 0.09 0.42 0.03 0.00 -0.30 0.00 0.00 42.92 43.16 2wat s ASP 1866CO 0.53 -0.49 0.01 -0.69 -0.17 0.00 0.00 175.17 174.36 2wat s VAL 1867N -1.24 0.13 0.06 1.11 1.01 -1.26 -0.99 120.40 119.23 2wat s VAL 1867Ca -0.06 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.08 2wat s VAL 1867Cb -0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 2wat s VAL 1867CO 0.05 0.13 -0.06 -0.54 0.00 0.00 0.00 175.10 174.69 2wat s LYS 1868N 1.03 2.41 0.02 2.72 -0.14 -0.44 -4.34 119.74 121.01 2wat s LYS 1868Ca -0.10 -0.86 -0.01 0.00 -1.36 0.00 0.00 55.97 53.65 2wat s LYS 1868Cb -0.13 -2.45 -0.02 0.00 -1.68 0.00 0.00 37.83 33.54 2wat s LYS 1868CO -0.02 0.55 -0.01 0.54 -0.76 0.00 0.00 175.35 175.66 2wat s VAL 1869N -1.17 0.12 0.02 3.17 0.11 -1.26 -1.43 120.40 119.97 2wat s VAL 1869Ca 0.21 -1.02 0.02 0.00 -2.93 0.00 0.00 61.98 58.26 2wat s VAL 1869Cb -0.11 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.24 2wat s VAL 1869CO 0.13 -0.56 -0.06 -0.55 -3.33 0.00 0.00 175.10 170.72 2wat s SER 1870N -1.69 0.71 0.04 3.54 0.15 -0.37 -4.34 113.70 111.74 2wat s SER 1870Ca -0.12 -0.38 0.05 0.00 0.70 0.00 0.00 55.95 56.20 2wat s SER 1870Cb -0.07 0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.23 2wat s SER 1870CO -0.02 -0.12 -0.15 -0.63 1.20 0.00 0.00 173.24 173.52 2wat s ILE 1871N -0.93 1.19 0.04 6.45 1.01 -1.26 -1.58 121.20 126.11 2wat s ILE 1871Ca -0.06 -0.99 -0.15 0.00 0.00 0.00 0.00 60.65 59.45 2wat s ILE 1871Cb -0.07 -1.06 0.02 0.00 0.01 0.00 0.00 42.46 41.36 2wat s ILE 1871CO 0.00 0.06 0.33 -0.55 0.00 0.00 0.00 174.94 174.78 2wat s SER 1872N -1.07 -0.17 0.24 3.58 0.15 -0.28 -5.01 113.70 111.14 2wat s SER 1872Ca 0.03 -0.13 -0.13 0.00 0.70 0.00 0.00 55.95 56.42 2wat s SER 1872Cb -0.08 0.37 -0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2wat s SER 1872CO 0.01 -0.62 0.46 -1.38 1.20 0.00 0.00 173.24 172.92 2wat s HIS 1873N -2.47 0.34 0.00 3.44 -3.43 -1.26 -0.75 115.29 111.15 2wat s HIS 1873Ca -0.05 -0.70 0.00 0.00 -0.80 0.00 0.00 55.06 53.51 2wat s HIS 1873Cb -0.01 0.18 0.00 0.00 -1.43 0.00 0.00 32.58 31.32 2wat s HIS 1873CO -0.03 -0.97 0.00 -0.40 -2.00 0.00 0.00 174.74 171.35 2wat n ASP 1874N -0.37 0.05 -0.01 7.38 5.68 -0.60 -5.00 116.55 123.68 2wat n ASP 1874Ca -0.03 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.14 2wat n ASP 1874Cb 0.62 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.52 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 0.00 0.08 0.01 -1.12 3.32 -2.03 -3.39 116.42 113.29 2wat h ASP 1875Ca 0.00 -0.25 -0.37 0.00 0.02 0.00 0.00 57.03 56.43 2wat h ASP 1875Cb 0.00 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 2wat h ASP 1875CO 0.00 0.31 -2.07 0.18 -1.72 0.00 0.00 179.24 175.94 2wat n LEU 1876N -4.92 2.15 -4.18 1.55 4.77 -1.26 -4.86 117.00 110.25 2wat n LEU 1876Ca -0.07 0.28 -0.16 0.00 -0.03 0.00 0.00 56.01 56.03 2wat n LEU 1876Cb 0.15 -0.91 -0.11 0.00 -2.33 0.00 0.00 43.42 40.22 2wat n LEU 1876CO 0.34 0.57 -0.44 -1.10 -1.33 0.00 0.00 177.39 175.43 2wat s GLN 1877N -2.47 0.86 0.14 3.23 -0.21 -1.26 -0.72 119.66 119.23 2wat s GLN 1877Ca -0.33 -1.09 0.09 0.00 0.02 0.00 0.00 55.36 54.05 2wat s GLN 1877Cb 0.10 -0.70 -0.04 0.00 1.00 0.00 0.00 33.01 33.37 2wat s GLN 1877CO 0.57 0.13 -0.16 0.00 -2.12 0.00 0.00 175.29 173.72 2wat s ALA 1878N -1.94 2.77 -0.01 6.09 0.00 0.19 -1.56 121.76 127.30 2wat s ALA 1878Ca 0.03 -1.39 -0.06 0.00 0.00 0.00 0.00 51.96 50.54 2wat s ALA 1878Cb -0.06 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.39 2wat s ALA 1878CO 0.01 0.55 0.12 0.54 0.00 0.00 0.00 175.76 176.99 2wat s VAL 1879N -1.33 0.07 0.02 0.00 0.11 0.07 -0.91 120.40 118.42 2wat s VAL 1879Ca 0.20 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 2wat s VAL 1879Cb -0.10 -0.35 -0.02 0.00 -1.53 0.00 0.00 36.38 34.38 2wat s VAL 1879CO 0.12 -0.30 -0.03 0.00 -3.33 0.00 0.00 175.10 171.56 2wat s ALA 1880N -1.02 0.17 -0.06 1.54 0.00 -0.61 -1.12 121.76 120.65 2wat s ALA 1880Ca -0.11 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.32 2wat s ALA 1880Cb -0.06 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.19 2wat s ALA 1880CO 0.01 -0.12 -0.11 0.08 0.00 0.00 0.00 175.76 175.62 2wat s VAL 1881N -1.29 1.02 0.08 0.00 1.01 -0.62 -1.92 120.40 118.69 2wat s VAL 1881Ca -0.13 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 61.53 2wat s VAL 1881Cb -0.09 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 2wat s VAL 1881CO -0.01 0.33 -0.27 0.00 0.00 0.00 0.00 175.10 175.15 2wat s ALA 1882N 0.65 2.32 -0.04 5.51 0.00 0.20 -1.23 121.76 129.16 2wat s ALA 1882Ca -0.13 -1.36 0.02 0.00 0.00 0.00 0.00 51.96 50.49 2wat s ALA 1882Cb -0.15 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.54 2wat s ALA 1882CO 0.03 0.54 -0.10 0.14 0.00 0.00 0.00 175.76 176.37 2wat s VAL 1883N -0.93 0.92 0.18 0.00 -7.23 -0.52 -0.72 120.40 112.10 2wat s VAL 1883Ca 0.13 -0.40 0.08 0.00 -1.81 0.00 0.00 61.98 59.98 2wat s VAL 1883Cb -0.10 -0.83 -0.04 0.00 0.56 0.00 0.00 36.38 35.97 2wat s VAL 1883CO 0.04 0.29 -0.04 -0.94 -0.31 0.00 0.00 175.10 174.14 2wat s SER 1884N 0.42 4.54 0.03 4.85 1.04 -0.49 -1.33 113.70 122.75 2wat s SER 1884Ca -0.08 -0.48 0.08 0.00 0.48 0.00 0.00 55.95 55.95 2wat s SER 1884Cb -0.12 -0.88 -0.02 0.00 0.10 0.00 0.00 66.02 65.09 2wat s SER 1884CO 0.02 0.10 -0.23 -0.89 0.98 0.00 0.00 173.24 173.21 2wat s THR 1885N -1.72 1.84 -0.46 2.02 2.01 -0.16 -2.71 115.64 116.46 2wat s THR 1885Ca 0.26 -1.18 0.04 0.00 0.31 0.00 0.00 61.69 61.12 2wat s THR 1885Cb -0.09 -1.57 0.03 0.00 0.01 0.00 0.00 72.50 70.88 2wat s THR 1885CO 0.17 0.34 0.62 0.29 -0.69 0.00 0.00 174.62 175.35