#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y98 s MET 1650N 0.00 1.08 -0.01 2.89 -1.94 -1.26 -4.87 119.30 115.19 1y98 s MET 1650Ca 0.00 -0.12 0.05 0.00 -1.71 0.00 0.00 55.69 53.91 1y98 s MET 1650Cb 0.00 -1.37 -0.01 0.00 2.01 0.00 0.00 34.83 35.46 1y98 s MET 1650CO 0.00 -0.31 -0.17 0.45 -0.01 0.00 0.00 175.02 174.99 1y98 s SER 1651N 1.83 1.95 0.19 3.03 0.15 -1.26 -0.28 113.70 119.31 1y98 s SER 1651Ca 0.04 -0.32 -0.01 0.00 0.70 0.00 0.00 55.95 56.36 1y98 s SER 1651Cb -0.13 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 63.94 1y98 s SER 1651CO -0.07 0.19 0.12 0.00 1.20 0.00 0.00 173.24 174.68 1y98 s MET 1652N -0.49 1.14 0.27 5.44 0.23 -0.07 -0.81 119.30 125.02 1y98 s MET 1652Ca 0.06 -1.59 0.03 0.00 -1.03 0.00 0.00 55.69 53.16 1y98 s MET 1652Cb -0.07 0.27 -0.04 0.00 -1.53 0.00 0.00 34.83 33.46 1y98 s MET 1652CO -0.00 -0.36 0.19 0.14 -2.03 0.00 0.00 175.02 172.95 1y98 s VAL 1653N -4.14 0.09 0.10 5.16 -7.23 -1.01 -1.39 120.40 112.00 1y98 s VAL 1653Ca 0.36 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.57 1y98 s VAL 1653Cb 0.07 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1y98 s VAL 1653CO 0.10 0.00 -0.10 0.68 -0.31 0.00 0.00 175.10 175.47 1y98 s VAL 1654N -3.77 0.98 -0.03 1.32 -7.23 -1.26 -0.79 120.40 109.61 1y98 s VAL 1654Ca 0.39 -1.71 -0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1y98 s VAL 1654Cb 0.05 -1.44 0.03 0.00 0.56 0.00 0.00 36.38 35.57 1y98 s VAL 1654CO 0.19 -0.59 0.02 -0.55 -0.31 0.00 0.00 175.10 173.86 1y98 s SER 1655N -2.56 0.46 -0.56 4.85 0.15 0.88 -4.85 113.70 112.06 1y98 s SER 1655Ca 0.07 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1y98 s SER 1655Cb -0.02 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1y98 s SER 1655CO 0.00 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1y98 n GLY 1656N 4.35 0.40 3.92 9.45 0.00 -1.26 -1.62 105.19 120.43 1y98 n GLY 1656Ca -0.23 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 1y98 n GLY 1656CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y98 s LEU 1657N -1.58 4.27 0.63 0.99 1.43 -1.26 -4.58 118.68 118.57 1y98 s LEU 1657Ca 0.00 0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.22 1y98 s LEU 1657Cb 0.00 -2.85 0.05 0.00 0.03 0.00 0.00 46.19 43.42 1y98 s LEU 1657CO 0.00 0.08 0.90 0.42 0.23 0.00 0.00 176.35 177.98 1y98 s THR 1658N -1.69 2.53 0.24 5.49 -4.23 -1.26 -4.82 115.64 111.90 1y98 s THR 1658Ca 0.34 -0.44 -0.05 0.00 -1.18 0.00 0.00 61.69 60.36 1y98 s THR 1658Cb -0.11 -3.03 0.20 0.00 1.34 0.00 0.00 72.50 70.90 1y98 s THR 1658CO 0.28 -0.03 1.79 -0.65 -0.54 0.00 0.00 174.62 175.48 1y98 h PRO 1659N -0.27 0.69 -0.48 3.99 0.11 -1.99 0.28 132.00 134.33 1y98 h PRO 1659Ca -0.43 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1y98 h PRO 1659Cb 1.30 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1y98 h PRO 1659CO 0.57 0.45 0.07 1.05 -0.21 0.00 0.00 178.00 179.93 1y98 h GLU 1660N 0.71 0.75 -0.31 1.05 9.09 -2.00 -2.29 114.58 121.57 1y98 h GLU 1660Ca 0.38 -0.17 -0.11 0.00 0.05 0.00 0.00 59.36 59.51 1y98 h GLU 1660Cb 0.39 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.37 1y98 h GLU 1660CO -0.26 0.72 -0.24 0.93 0.05 0.00 0.00 179.01 180.20 1y98 h GLU 1661N 0.72 0.72 -0.88 1.06 5.08 -1.68 -2.60 114.58 117.00 1y98 h GLU 1661Ca 0.15 -0.35 0.19 0.00 -1.00 0.00 0.00 59.36 58.35 1y98 h GLU 1661Cb 0.34 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 1y98 h GLU 1661CO 0.01 0.97 0.58 0.35 -1.00 0.00 0.00 179.01 179.91 1y98 h PHE 1662N 0.48 0.54 -0.15 4.33 3.57 -0.03 -2.20 116.94 123.47 1y98 h PHE 1662Ca 0.06 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.38 1y98 h PHE 1662Cb 0.80 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1y98 h PHE 1662CO 0.07 0.15 -0.69 0.52 -2.23 0.00 0.00 178.31 176.13 1y98 h MET 1663N 0.41 0.64 -0.04 1.11 2.86 -1.04 0.38 114.93 119.25 1y98 h MET 1663Ca 0.45 -0.48 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1y98 h MET 1663Cb 1.11 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 1y98 h MET 1663CO -0.17 1.10 0.02 -0.07 1.06 0.00 0.00 176.91 178.86 1y98 h LEU 1664N 0.45 0.05 -1.17 1.22 3.38 -1.25 0.34 115.31 118.33 1y98 h LEU 1664Ca -0.03 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 57.96 1y98 h LEU 1664Cb 1.29 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.95 1y98 h LEU 1664CO 0.13 0.14 0.59 0.58 0.09 0.00 0.00 178.44 179.98 1y98 h VAL 1665N -0.04 0.92 0.84 1.22 2.07 -0.97 0.50 116.25 120.78 1y98 h VAL 1665Ca 0.01 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1y98 h VAL 1665Cb 0.10 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1y98 h VAL 1665CO -0.00 0.16 -0.40 0.22 0.02 0.00 0.00 177.57 177.56 1y98 h TYR 1666N 0.87 -1.04 -1.00 1.57 3.20 0.30 0.15 116.97 121.01 1y98 h TYR 1666Ca 0.45 -0.02 0.21 0.00 3.14 0.00 0.00 58.73 62.50 1y98 h TYR 1666Cb 0.52 0.35 -0.10 0.00 1.54 0.00 0.00 36.73 39.03 1y98 h TYR 1666CO -0.00 -0.64 0.61 -0.22 -1.64 0.00 0.00 178.16 176.27 1y98 h LYS 1667N -1.19 0.66 -0.11 1.82 3.64 0.40 0.54 116.57 122.34 1y98 h LYS 1667Ca -0.12 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1y98 h LYS 1667Cb 0.87 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1y98 h LYS 1667CO 0.19 0.44 0.00 0.35 -2.27 0.00 0.00 179.45 178.16 1y98 h PHE 1668N 0.68 0.21 -0.27 1.91 3.57 0.17 -2.15 116.94 121.06 1y98 h PHE 1668Ca 0.58 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.96 1y98 h PHE 1668Cb 1.02 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1y98 h PHE 1668CO -0.00 0.43 -0.21 0.00 -2.23 0.00 0.00 178.31 176.30 1y98 h ALA 1669N 0.75 1.14 -0.04 2.41 0.00 0.22 -1.73 119.26 122.01 1y98 h ALA 1669Ca 0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1y98 h ALA 1669Cb 0.35 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1y98 h ALA 1669CO 0.01 0.54 0.02 -0.09 0.00 0.00 0.00 179.25 179.73 1y98 h ARG 1670N 0.44 0.06 -0.96 0.00 2.43 0.03 -0.51 114.38 115.87 1y98 h ARG 1670Ca 0.07 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1y98 h ARG 1670Cb 0.62 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.11 1y98 h ARG 1670CO 0.04 0.17 0.63 -0.22 -1.51 0.00 0.00 179.97 179.09 1y98 h LYS 1671N -0.06 1.25 -0.54 0.20 3.64 -0.66 -2.95 116.57 117.45 1y98 h LYS 1671Ca 0.01 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1y98 h LYS 1671Cb 0.13 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1y98 h LYS 1671CO -0.00 0.83 0.00 0.72 -2.27 0.00 0.00 179.45 178.73 1y98 n HIS 1672N -4.42 1.61 -3.49 1.91 8.25 -0.74 -4.94 115.22 113.40 1y98 n HIS 1672Ca 0.11 -0.70 -0.18 0.00 -0.26 0.00 0.00 57.72 56.69 1y98 n HIS 1672Cb 0.02 -0.36 0.08 0.00 1.12 0.00 0.00 29.99 30.85 1y98 n HIS 1672CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1y98 n HIS 1673N 0.62 -2.19 -4.62 4.41 8.25 -0.62 -4.99 115.22 116.08 1y98 n HIS 1673Ca 0.25 0.93 -0.34 0.00 -0.26 0.00 0.00 57.72 58.31 1y98 n HIS 1673Cb 1.01 -4.97 -0.12 0.00 1.12 0.00 0.00 29.99 27.03 1y98 n HIS 1673CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1y98 s ILE 1674N -3.41 3.63 0.23 1.59 1.01 -0.30 -4.85 121.20 119.12 1y98 s ILE 1674Ca 0.04 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 1y98 s ILE 1674Cb -0.02 -2.50 -0.09 0.00 0.01 0.00 0.00 42.46 39.86 1y98 s ILE 1674CO 0.74 0.58 0.93 -0.89 0.00 0.00 0.00 174.94 176.30 1y98 s THR 1675N -0.52 4.09 -0.05 2.92 2.01 0.62 -4.64 115.64 120.07 1y98 s THR 1675Ca 0.08 2.07 0.01 0.00 0.31 0.00 0.00 61.69 64.16 1y98 s THR 1675Cb -0.12 -4.32 0.02 0.00 0.01 0.00 0.00 72.50 68.09 1y98 s THR 1675CO 0.02 0.50 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.16 1y98 s LEU 1676N -1.15 1.39 0.19 4.42 2.96 -1.26 -0.89 118.68 124.34 1y98 s LEU 1676Ca 0.41 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 1y98 s LEU 1676Cb -0.26 -0.56 -0.05 0.00 0.50 0.00 0.00 46.19 45.82 1y98 s LEU 1676CO 0.32 -0.04 0.04 0.42 -1.32 0.00 0.00 176.35 175.77 1y98 s THR 1677N 0.90 0.55 0.05 3.68 -4.23 -0.48 -4.94 115.64 111.17 1y98 s THR 1677Ca -0.11 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.30 1y98 s THR 1677Cb -0.15 -2.26 -0.32 0.00 1.34 0.00 0.00 72.50 71.12 1y98 s THR 1677CO 0.01 -0.34 1.07 0.78 -0.54 0.00 0.00 174.62 175.60 1y98 h ASN 1678N 2.63 0.71 -3.54 3.99 2.35 -2.00 -3.41 115.58 116.31 1y98 h ASN 1678Ca -0.37 -0.74 -0.67 0.00 -0.55 0.00 0.00 56.30 53.97 1y98 h ASN 1678Cb 1.22 -0.23 -0.20 0.00 0.05 0.00 0.00 38.32 39.16 1y98 h ASN 1678CO 0.61 1.57 -0.69 -0.76 -1.65 0.00 0.00 177.43 176.52 1y98 s LEU 1679N -7.49 3.19 0.26 1.61 1.43 -1.26 -4.84 118.68 111.57 1y98 s LEU 1679Ca -0.07 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.68 1y98 s LEU 1679Cb 0.05 -1.71 -0.09 0.00 0.03 0.00 0.00 46.19 44.47 1y98 s LEU 1679CO 0.92 0.31 1.19 -0.51 0.23 0.00 0.00 176.35 178.50 1y98 s ILE 1680N -0.49 3.31 0.00 -0.59 2.07 -1.26 -4.97 121.20 119.27 1y98 s ILE 1680Ca 0.07 1.23 0.00 0.00 -1.41 0.00 0.00 60.65 60.54 1y98 s ILE 1680Cb -0.12 -3.78 0.00 0.00 0.13 0.00 0.00 42.46 38.69 1y98 s ILE 1680CO 0.02 0.26 0.00 0.35 -1.91 0.00 0.00 174.94 173.66 1y98 n THR 1681N 1.60 0.00 0.11 4.00 -2.24 -1.26 -4.99 114.28 111.49 1y98 n THR 1681Ca 0.01 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.76 1y98 n THR 1681Cb 0.44 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 68.84 1y98 n THR 1681CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1y98 h GLU 1682N 0.00 0.16 0.00 -0.78 3.07 -2.01 -2.98 114.58 112.05 1y98 h GLU 1682Ca 0.00 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.36 58.73 1y98 h GLU 1682Cb 0.00 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1y98 h GLU 1682CO 0.00 0.67 -0.17 0.93 -1.40 0.00 0.00 179.01 179.04 1y98 h GLU 1683N 0.13 0.00 -6.53 2.33 3.07 -1.99 -3.44 114.58 108.14 1y98 h GLU 1683Ca -0.00 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.26 1y98 h GLU 1683Cb 1.00 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 29.01 1y98 h GLU 1683CO 0.08 0.17 0.40 2.41 -1.40 0.00 0.00 179.01 180.67 1y98 n THR 1684N -3.34 1.36 0.02 1.13 -1.04 -1.13 -4.43 114.28 106.85 1y98 n THR 1684Ca 0.00 -0.34 0.02 0.00 -2.04 0.00 0.00 64.05 61.69 1y98 n THR 1684Cb 0.39 -1.24 -0.04 0.00 -1.82 0.00 0.00 70.33 67.63 1y98 n THR 1684CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1y98 n THR 1685N 1.15 0.00 -4.14 12.58 -2.24 0.01 -4.91 114.28 116.72 1y98 n THR 1685Ca 0.11 -0.13 -0.16 0.00 -2.27 0.00 0.00 64.05 61.59 1y98 n THR 1685Cb 0.31 0.44 -0.12 0.00 -2.10 0.00 0.00 70.33 68.86 1y98 n THR 1685CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1y98 s HIS 1686N -2.26 0.95 -0.11 4.78 3.76 -0.35 -0.96 115.29 121.11 1y98 s HIS 1686Ca -0.01 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 54.45 1y98 s HIS 1686Cb 0.03 -0.55 0.02 0.00 1.11 0.00 0.00 32.58 33.19 1y98 s HIS 1686CO 0.20 -0.01 -0.11 0.08 -0.85 0.00 0.00 174.74 174.05 1y98 s VAL 1687N -1.22 1.19 -0.40 -0.90 1.01 0.23 -2.40 120.40 117.91 1y98 s VAL 1687Ca -0.05 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 1y98 s VAL 1687Cb -0.09 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.17 1y98 s VAL 1687CO 0.01 0.39 0.28 -0.69 0.00 0.00 0.00 175.10 175.09 1y98 s VAL 1688N 1.34 5.06 -0.14 2.92 1.01 0.03 -0.69 120.40 129.92 1y98 s VAL 1688Ca -0.01 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 1y98 s VAL 1688Cb -0.14 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1y98 s VAL 1688CO -0.05 -0.31 0.35 -0.04 0.00 0.00 0.00 175.10 175.05 1y98 s MET 1689N 1.64 4.23 0.07 2.72 -1.94 0.21 -0.09 119.30 126.15 1y98 s MET 1689Ca 0.04 0.21 -0.35 0.00 -1.71 0.00 0.00 55.69 53.87 1y98 s MET 1689Cb -0.19 -3.41 -0.15 0.00 2.01 0.00 0.00 34.83 33.09 1y98 s MET 1689CO 0.09 0.26 1.55 1.17 -0.01 0.00 0.00 175.02 178.08 1y98 n LYS 1690N 3.43 1.75 -4.31 2.03 3.00 -0.64 -0.75 118.16 122.68 1y98 n LYS 1690Ca -0.11 0.63 -0.19 0.00 -0.00 0.00 0.00 58.31 58.64 1y98 n LYS 1690Cb 0.52 -2.36 -0.08 0.00 0.00 0.00 0.00 35.03 33.10 1y98 n LYS 1690CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1y98 s THR 1691N 1.37 0.09 0.54 3.15 -4.23 -1.26 -4.29 115.64 111.00 1y98 s THR 1691Ca 0.84 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.38 1y98 s THR 1691Cb -0.80 -2.48 0.10 0.00 1.34 0.00 0.00 72.50 70.66 1y98 s THR 1691CO 0.45 0.00 0.75 -0.90 -0.54 0.00 0.00 174.62 174.37 1y98 n ASP 1692N -1.34 1.41 0.12 3.99 5.68 -0.25 -4.90 116.55 121.26 1y98 n ASP 1692Ca 0.05 -2.09 0.19 0.00 -0.50 0.00 0.00 54.79 52.44 1y98 n ASP 1692Cb 0.63 -0.45 0.70 0.00 -1.14 0.00 0.00 41.12 40.87 1y98 n ASP 1692CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1y98 h ALA 1693N -0.22 2.04 -0.16 2.12 0.00 -2.03 0.18 119.26 121.18 1y98 h ALA 1693Ca -0.25 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1y98 h ALA 1693Cb 1.02 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 1y98 h ALA 1693CO 0.30 -0.72 -0.61 -0.85 0.00 0.00 0.00 179.25 177.38 1y98 n GLU 1694N -3.45 1.92 -2.06 0.00 0.28 -1.26 -4.99 120.64 111.08 1y98 n GLU 1694Ca 0.07 -3.41 -0.05 0.00 -0.16 0.00 0.00 57.16 53.61 1y98 n GLU 1694Cb 0.68 -1.66 -0.00 0.00 1.43 0.00 0.00 31.44 31.89 1y98 n GLU 1694CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1y98 n PHE 1695N -0.93 -0.23 -3.73 -1.84 3.72 0.62 -4.77 117.46 110.30 1y98 n PHE 1695Ca 0.23 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.27 1y98 n PHE 1695Cb 0.78 -1.69 -0.11 0.00 -0.94 0.00 0.00 39.48 37.52 1y98 n PHE 1695CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1y98 s VAL 1696N -2.24 4.95 0.51 -4.37 1.01 -1.26 -0.85 120.40 118.15 1y98 s VAL 1696Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.08 1y98 s VAL 1696Cb 0.00 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 33.08 1y98 s VAL 1696CO 0.00 0.34 0.34 0.00 0.00 0.00 0.00 175.10 175.77 1y98 s GLU 1698N -4.18 3.43 -0.53 0.00 2.02 -1.26 -1.76 118.70 116.41 1y98 s GLU 1698Ca 0.34 0.12 -0.26 0.00 0.02 0.00 0.00 54.97 55.18 1y98 s GLU 1698Cb -0.01 -2.38 0.03 0.00 0.10 0.00 0.00 34.13 31.87 1y98 s GLU 1698CO 0.20 -0.26 1.05 1.03 0.02 0.00 0.00 175.26 177.30 1y98 s ARG 1699N -4.75 3.49 0.23 1.61 0.52 -1.26 -4.91 118.95 113.89 1y98 s ARG 1699Ca 0.48 0.12 0.10 0.00 -0.52 0.00 0.00 55.73 55.91 1y98 s ARG 1699Cb -0.10 -3.99 -0.04 0.00 0.52 0.00 0.00 34.95 31.33 1y98 s ARG 1699CO 0.44 -1.49 -0.13 0.95 0.02 0.00 0.00 175.30 175.10 1y98 s THR 1700N 4.33 2.91 0.28 0.02 -4.23 -1.26 -5.02 115.64 112.68 1y98 s THR 1700Ca 0.39 -2.01 -0.05 0.00 -1.18 0.00 0.00 61.69 58.84 1y98 s THR 1700Cb -0.09 -2.49 0.42 0.00 1.34 0.00 0.00 72.50 71.67 1y98 s THR 1700CO 0.25 -0.27 1.57 0.25 -0.54 0.00 0.00 174.62 175.88 1y98 h LEU 1701N 2.49 -0.72 -0.92 4.79 5.85 -1.96 0.27 115.31 125.11 1y98 h LEU 1701Ca -0.44 0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 1y98 h LEU 1701Cb 1.23 0.55 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 1y98 h LEU 1701CO 0.56 -0.32 -0.24 0.11 -0.34 0.00 0.00 178.44 178.21 1y98 h LYS 1702N 0.01 0.51 0.24 1.25 1.57 -1.97 -1.23 116.57 116.95 1y98 h LYS 1702Ca 0.51 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1y98 h LYS 1702Cb 0.89 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1y98 h LYS 1702CO -0.95 0.71 -0.29 -0.92 -0.57 0.00 0.00 179.45 177.43 1y98 h TYR 1703N 0.45 -0.81 -0.85 -1.35 3.20 -0.93 0.30 116.97 116.98 1y98 h TYR 1703Ca 0.07 0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.11 1y98 h TYR 1703Cb 0.66 0.32 -0.16 0.00 1.54 0.00 0.00 36.73 39.10 1y98 h TYR 1703CO 0.02 -0.37 -0.24 0.74 -1.64 0.00 0.00 178.16 176.67 1y98 h PHE 1704N -0.54 -0.54 0.00 -3.82 0.04 -0.88 -0.43 116.94 110.77 1y98 h PHE 1704Ca -0.03 0.08 -0.12 0.00 2.80 0.00 0.00 57.97 60.70 1y98 h PHE 1704Cb 0.48 0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.98 1y98 h PHE 1704CO -0.21 -0.37 -0.58 -0.07 -0.60 0.00 0.00 178.31 176.47 1y98 h LEU 1705N -0.01 0.00 -0.28 1.54 3.38 -0.74 0.12 115.31 119.32 1y98 h LEU 1705Ca 0.39 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.18 1y98 h LEU 1705Cb 0.62 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1y98 h LEU 1705CO -0.88 0.58 -0.87 1.23 0.09 0.00 0.00 178.44 178.60 1y98 h GLY 1706N 2.82 0.03 0.54 0.83 0.00 0.23 -2.09 103.07 105.43 1y98 h GLY 1706Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1y98 h GLY 1706CO 0.08 0.05 -0.21 -2.22 0.00 0.00 0.00 176.54 174.24 1y98 h ILE 1707N 0.01 0.30 -0.99 2.60 2.04 -0.73 -0.13 117.51 120.62 1y98 h ILE 1707Ca -0.01 -0.60 0.35 0.00 1.00 0.00 0.00 64.86 65.59 1y98 h ILE 1707Cb 1.52 0.46 -0.17 0.00 -0.74 0.00 0.00 36.82 37.89 1y98 h ILE 1707CO 0.12 0.06 0.40 0.00 0.00 0.00 0.00 178.15 178.73 1y98 h ALA 1708N -0.82 1.81 -0.45 1.87 0.00 -0.80 0.53 119.26 121.41 1y98 h ALA 1708Ca -0.06 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1y98 h ALA 1708Cb 0.54 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1y98 h ALA 1708CO 0.10 -0.74 0.02 0.41 0.00 0.00 0.00 179.25 179.03 1y98 n GLY 1709N -1.33 2.67 3.14 0.00 0.00 -0.79 -4.37 105.19 104.52 1y98 n GLY 1709Ca 0.32 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 1y98 n GLY 1709CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y98 n GLY 1710N 0.42 -0.50 3.96 -0.02 0.00 0.19 -4.98 105.19 104.27 1y98 n GLY 1710Ca 0.22 0.10 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 1y98 n GLY 1710CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y98 s LYS 1711N -5.80 1.99 -0.49 1.61 1.02 -0.07 -4.59 119.74 113.41 1y98 s LYS 1711Ca 0.32 -0.72 -0.28 0.00 0.02 0.00 0.00 55.97 55.31 1y98 s LYS 1711Cb -0.16 -2.29 0.02 0.00 -0.52 0.00 0.00 37.83 34.87 1y98 s LYS 1711CO 0.40 -1.26 1.34 -1.58 -0.92 0.00 0.00 175.35 173.33 1y98 s TRP 1712N -3.12 2.46 -0.51 3.18 0.52 -0.14 -4.83 118.94 116.51 1y98 s TRP 1712Ca 0.63 0.59 -0.14 0.00 0.02 0.00 0.00 56.10 57.19 1y98 s TRP 1712Cb -0.08 -4.39 0.12 0.00 -1.15 0.00 0.00 33.47 27.97 1y98 s TRP 1712CO 0.43 -1.80 0.44 0.08 0.02 0.00 0.00 176.95 176.13 1y98 s VAL 1713N 5.41 4.93 0.21 4.03 1.01 -1.26 0.76 120.40 135.49 1y98 s VAL 1713Ca 0.54 -1.52 0.11 0.00 0.00 0.00 0.00 61.98 61.10 1y98 s VAL 1713Cb -0.11 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1y98 s VAL 1713CO 0.29 -0.80 -0.21 0.68 0.00 0.00 0.00 175.10 175.06 1y98 s VAL 1714N 1.54 2.22 0.50 2.92 -7.23 0.13 -1.31 120.40 119.17 1y98 s VAL 1714Ca 0.04 -2.10 -0.21 0.00 -1.81 0.00 0.00 61.98 57.89 1y98 s VAL 1714Cb -0.28 -2.09 -0.07 0.00 0.56 0.00 0.00 36.38 34.50 1y98 s VAL 1714CO 0.02 -0.25 1.16 -0.55 -0.31 0.00 0.00 175.10 175.17 1y98 s SER 1715N -2.89 5.94 0.61 4.85 0.15 -0.61 -0.62 113.70 121.13 1y98 s SER 1715Ca 0.22 2.28 0.29 0.00 0.70 0.00 0.00 55.95 59.43 1y98 s SER 1715Cb -0.06 -2.60 1.50 0.00 -1.71 0.00 0.00 66.02 63.15 1y98 s SER 1715CO 0.10 -1.07 1.89 0.22 1.20 0.00 0.00 173.24 175.58 1y98 h TYR 1716N 1.69 0.00 0.00 3.44 3.20 -1.25 -0.31 116.97 123.73 1y98 h TYR 1716Ca -0.50 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.35 1y98 h TYR 1716Cb 1.26 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.52 1y98 h TYR 1716CO 0.52 0.00 -0.11 0.74 -1.64 0.00 0.00 178.16 177.67 1y98 h PHE 1717N 0.00 0.00 -0.64 -3.82 0.04 -1.89 -0.00 116.94 110.62 1y98 h PHE 1717Ca 0.15 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.99 1y98 h PHE 1717Cb 1.03 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.12 1y98 h PHE 1717CO 0.00 0.11 0.32 2.35 -0.60 0.00 0.00 178.31 180.49 1y98 h TRP 1718N 0.00 0.58 0.53 -0.55 7.01 -1.37 -1.25 115.95 120.90 1y98 h TRP 1718Ca -0.00 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 1y98 h TRP 1718Cb 0.26 -0.17 0.01 0.00 -2.10 0.00 0.00 29.16 27.16 1y98 h TRP 1718CO 0.00 0.24 -0.26 0.28 -2.79 0.00 0.00 178.44 175.92 1y98 h VAL 1719N 0.58 0.00 -0.23 2.65 2.07 -1.15 -2.31 116.25 117.86 1y98 h VAL 1719Ca 0.30 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1y98 h VAL 1719Cb 0.26 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1y98 h VAL 1719CO -0.22 0.00 0.16 0.71 0.02 0.00 0.00 177.57 178.24 1y98 h THR 1720N -1.03 0.92 0.03 2.57 1.35 -1.27 -0.61 112.91 114.87 1y98 h THR 1720Ca -0.07 -0.03 -0.04 0.00 -0.55 0.00 0.00 66.41 65.72 1y98 h THR 1720Cb 0.55 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1y98 h THR 1720CO 0.12 0.01 -0.16 -0.61 -0.25 0.00 0.00 175.52 174.63 1y98 h GLN 1721N 0.07 0.07 -0.70 4.72 5.75 -1.33 0.45 115.11 124.14 1y98 h GLN 1721Ca 0.11 -0.10 0.20 0.00 -0.15 0.00 0.00 58.65 58.70 1y98 h GLN 1721Cb 0.33 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 1y98 h GLN 1721CO -0.01 1.02 0.56 0.77 -2.65 0.00 0.00 178.83 178.53 1y98 h SER 1722N -0.84 0.00 0.02 -0.69 0.02 -0.80 0.91 113.55 112.17 1y98 h SER 1722Ca -0.03 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1y98 h SER 1722Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1y98 h SER 1722CO 0.03 0.00 -0.01 0.40 -1.14 0.00 0.00 176.83 176.11 1y98 h ILE 1723N 0.00 1.36 -1.00 3.27 2.04 -1.03 -2.00 117.51 120.15 1y98 h ILE 1723Ca 0.33 -1.87 0.22 0.00 1.00 0.00 0.00 64.86 64.53 1y98 h ILE 1723Cb 1.46 2.50 -0.10 0.00 -0.74 0.00 0.00 36.82 39.94 1y98 h ILE 1723CO -0.00 0.44 0.62 0.50 0.00 0.00 0.00 178.15 179.70 1y98 h LYS 1724N -0.94 0.61 -0.64 2.37 3.64 0.12 0.12 116.57 121.85 1y98 h LYS 1724Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1y98 h LYS 1724Cb 0.74 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1y98 h LYS 1724CO 0.00 0.40 0.00 0.39 -2.27 0.00 0.00 179.45 177.98 1y98 n GLU 1725N -4.73 3.86 -3.16 1.90 1.02 0.30 -4.94 120.64 114.89 1y98 n GLU 1725Ca 0.24 -2.71 -0.17 0.00 -0.02 0.00 0.00 57.16 54.50 1y98 n GLU 1725Cb 0.67 -1.97 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 1y98 n GLU 1725CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1y98 n ARG 1726N 0.88 -2.59 -3.49 3.49 1.74 0.41 -4.90 116.66 112.19 1y98 n ARG 1726Ca 0.24 0.26 -0.09 0.00 -0.77 0.00 0.00 57.85 57.49 1y98 n ARG 1726Cb 0.92 -4.86 -0.02 0.00 -1.02 0.00 0.00 32.46 27.48 1y98 n ARG 1726CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1y98 s LYS 1727N -5.76 1.03 -0.55 5.56 -2.85 -0.80 -5.05 119.74 111.32 1y98 s LYS 1727Ca 0.29 -0.40 -0.28 0.00 -1.00 0.00 0.00 55.97 54.58 1y98 s LYS 1727Cb -0.16 0.46 0.02 0.00 -2.06 0.00 0.00 37.83 36.09 1y98 s LYS 1727CO 0.36 -0.45 1.29 1.41 0.10 0.00 0.00 175.35 178.05 1y98 s MET 1728N -3.38 3.46 1.28 1.78 -2.45 -1.26 -4.31 119.30 114.42 1y98 s MET 1728Ca 0.04 0.41 -0.19 0.00 -1.25 0.00 0.00 55.69 54.70 1y98 s MET 1728Cb -0.01 -4.05 0.32 0.00 1.25 0.00 0.00 34.83 32.34 1y98 s MET 1728CO -0.10 -1.75 1.00 -0.51 1.05 0.00 0.00 175.02 174.72 1y98 s LEU 1729N 5.37 -0.04 -0.06 4.11 1.43 -1.26 -5.02 118.68 123.20 1y98 s LEU 1729Ca 0.48 1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 54.47 1y98 s LEU 1729Cb -0.09 -2.67 -0.05 0.00 0.03 0.00 0.00 46.19 43.41 1y98 s LEU 1729CO 0.26 -4.65 0.28 0.21 0.23 0.00 0.00 176.35 172.69 1y98 s ASN 1730N -3.16 6.60 0.23 2.29 3.84 -1.26 -4.99 114.94 118.49 1y98 s ASN 1730Ca 0.69 0.72 -0.04 0.00 0.21 0.00 0.00 52.86 54.43 1y98 s ASN 1730Cb -0.16 -2.17 0.24 0.00 -0.55 0.00 0.00 41.25 38.61 1y98 s ASN 1730CO 0.59 0.34 1.72 -0.33 -2.79 0.00 0.00 177.10 176.64 1y98 h GLU 1731N 4.98 0.90 -0.91 0.43 3.07 -1.99 -2.23 114.58 118.84 1y98 h GLU 1731Ca -0.52 -0.25 0.20 0.00 -0.50 0.00 0.00 59.36 58.28 1y98 h GLU 1731Cb 1.22 -0.10 -0.07 0.00 -0.84 0.00 0.00 28.75 28.96 1y98 h GLU 1731CO 0.61 0.89 0.60 0.45 -1.40 0.00 0.00 179.01 180.16 1y98 h HIS 1732N 0.84 0.58 0.00 4.33 3.86 -1.99 0.24 115.15 123.01 1y98 h HIS 1732Ca 0.16 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1y98 h HIS 1732Cb 0.48 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1y98 h HIS 1732CO 0.03 0.15 0.00 -0.44 0.86 0.00 0.00 177.93 178.53 1y98 h ASP 1733N 0.44 0.00 -0.08 2.45 3.32 -1.82 -3.30 116.42 117.42 1y98 h ASP 1733Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1y98 h ASP 1733Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1y98 h ASP 1733CO -0.19 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 177.82 1y98 n PHE 1734N -2.86 0.10 -1.61 4.55 3.72 0.72 -5.05 117.46 117.03 1y98 n PHE 1734Ca 0.03 -0.21 -0.50 0.00 -0.05 0.00 0.00 57.45 56.72 1y98 n PHE 1734Cb 0.43 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.90 1y98 n PHE 1734CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1y98 n GLU 1735N 0.19 1.71 -1.59 -1.08 2.13 -0.47 -1.57 120.64 119.96 1y98 n GLU 1735Ca 0.04 0.58 -0.39 0.00 0.66 0.00 0.00 57.16 58.06 1y98 n GLU 1735Cb 0.22 -2.59 0.04 0.00 0.27 0.00 0.00 31.44 29.38 1y98 n GLU 1735CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1y98 n VAL 1736N 5.94 3.08 0.02 6.31 0.24 -0.42 -4.89 118.33 128.61 1y98 n VAL 1736Ca 0.29 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1y98 n VAL 1736Cb 0.27 -1.08 -0.01 0.00 -1.47 0.00 0.00 33.84 31.55 1y98 n VAL 1736CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1y98 n ARG 1737N -0.51 3.57 0.00 7.34 1.74 -0.03 -4.61 116.66 124.16 1y98 n ARG 1737Ca 0.12 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1y98 n ARG 1737Cb 0.45 -0.77 0.00 0.00 -1.02 0.00 0.00 32.46 31.12 1y98 n ARG 1737CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y98 n GLY 1738N 1.69 -0.70 3.30 -0.13 0.00 -1.14 -1.29 105.19 106.93 1y98 n GLY 1738Ca 0.00 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 1y98 n GLY 1738CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1y98 s ASP 1739N 0.00 0.78 0.01 1.61 1.47 -0.44 -2.07 116.67 118.03 1y98 s ASP 1739Ca 0.00 -1.50 0.24 0.00 1.18 0.00 0.00 52.55 52.48 1y98 s ASP 1739Cb 0.00 0.50 1.02 0.00 -0.34 0.00 0.00 42.92 44.10 1y98 s ASP 1739CO 0.00 -1.01 1.77 1.33 0.68 0.00 0.00 175.17 177.95 1y98 n VAL 1740N -0.45 0.35 -0.11 2.11 0.24 -0.73 -3.06 118.33 116.69 1y98 n VAL 1740Ca 0.04 0.07 -0.22 0.00 -2.04 0.00 0.00 64.34 62.19 1y98 n VAL 1740Cb 0.64 -0.67 -0.09 0.00 -1.47 0.00 0.00 33.84 32.25 1y98 n VAL 1740CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1y98 n VAL 1741N -1.54 1.24 0.86 3.34 0.31 -1.26 -4.70 118.33 116.57 1y98 n VAL 1741Ca 0.06 -0.36 0.12 0.00 -0.01 0.00 0.00 64.34 64.15 1y98 n VAL 1741Cb 0.29 -1.66 0.28 0.00 -0.91 0.00 0.00 33.84 31.84 1y98 n VAL 1741CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1y98 n ASN 1742N -3.77 2.59 0.00 4.52 3.02 -1.24 -5.02 115.26 115.36 1y98 n ASN 1742Ca -0.43 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.27 1y98 n ASN 1742Cb 0.84 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.88 1y98 n ASN 1742CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y98 n GLY 1743N 1.32 2.88 0.19 7.41 0.00 -1.17 -4.84 105.19 110.99 1y98 n GLY 1743Ca 0.17 -1.80 0.09 0.00 0.00 0.00 0.00 46.02 44.49 1y98 n GLY 1743CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1y98 h ARG 1744N 0.00 0.00 0.00 1.61 3.08 -1.87 -1.17 114.38 116.04 1y98 h ARG 1744Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1y98 h ARG 1744Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1y98 h ARG 1744CO 0.00 0.15 -0.34 0.09 -1.07 0.00 0.00 179.97 178.80 1y98 n ASN 1745N -3.13 1.51 0.09 7.04 3.02 -1.23 -2.86 115.26 119.69 1y98 n ASN 1745Ca 0.03 -2.88 -0.07 0.00 -0.03 0.00 0.00 54.58 51.64 1y98 n ASN 1745Cb 0.59 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 1y98 n ASN 1745CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 1y98 h HIS 1746N 0.32 0.14 -3.09 3.10 2.07 -1.45 -3.48 115.15 112.76 1y98 h HIS 1746Ca -0.03 -0.08 -0.27 0.00 -2.85 0.00 0.00 60.37 57.14 1y98 h HIS 1746Cb 1.20 -0.01 0.04 0.00 2.57 0.00 0.00 27.41 31.20 1y98 h HIS 1746CO 0.20 0.92 -0.40 1.04 -3.07 0.00 0.00 177.93 176.62 1y98 n GLN 1747N -3.57 -3.20 -0.35 5.12 6.02 -0.41 -4.87 117.38 116.11 1y98 n GLN 1747Ca -0.02 0.61 -0.06 0.00 -0.01 0.00 0.00 57.00 57.52 1y98 n GLN 1747Cb 0.82 -4.84 -0.03 0.00 1.02 0.00 0.00 30.24 27.22 1y98 n GLN 1747CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1y98 h GLY 1748N -0.90 -0.38 -0.53 1.08 0.00 -1.80 0.44 103.07 100.98 1y98 h GLY 1748Ca -0.35 0.63 0.11 0.00 0.00 0.00 0.00 47.33 47.72 1y98 h GLY 1748CO 0.38 -0.11 -0.36 -2.55 0.00 0.00 0.00 176.54 173.90 1y98 h PRO 1749N -0.06 -0.14 0.63 4.80 0.11 -1.81 0.46 132.00 135.98 1y98 h PRO 1749Ca 0.24 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.33 1y98 h PRO 1749Cb 0.53 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1y98 h PRO 1749CO -0.90 -0.09 -0.32 -0.22 -0.21 0.00 0.00 178.00 176.26 1y98 h LYS 1750N -0.15 -0.84 -0.60 1.05 3.64 -1.58 0.13 116.57 118.23 1y98 h LYS 1750Ca 0.24 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.76 1y98 h LYS 1750Cb 0.56 0.19 -0.11 0.00 -0.41 0.00 0.00 32.23 32.46 1y98 h LYS 1750CO -0.73 -0.56 -0.45 0.00 -2.27 0.00 0.00 179.45 175.43 1y98 h ARG 1751N -0.87 -0.22 -0.41 1.90 2.47 0.81 -0.24 114.38 117.82 1y98 h ARG 1751Ca -0.08 0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.57 1y98 h ARG 1751Cb 0.68 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.03 1y98 h ARG 1751CO 0.12 -0.14 -0.07 0.00 0.56 0.00 0.00 179.97 180.44 1y98 h ALA 1752N 0.58 1.11 -0.61 0.04 0.00 -0.08 0.26 119.26 120.55 1y98 h ALA 1752Ca 0.17 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1y98 h ALA 1752Cb 0.56 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1y98 h ALA 1752CO -0.70 0.56 0.33 -0.09 0.00 0.00 0.00 179.25 179.35 1y98 h ARG 1753N 0.65 0.61 0.01 0.00 2.43 0.99 -3.19 114.38 115.88 1y98 h ARG 1753Ca 0.12 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1y98 h ARG 1753Cb 0.51 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1y98 h ARG 1753CO 0.03 0.40 -0.01 0.93 -1.51 0.00 0.00 179.97 179.82 1y98 h GLU 1754N 0.63 -0.01 -2.11 0.20 5.08 -0.68 -3.39 114.58 114.29 1y98 h GLU 1754Ca 0.27 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1y98 h GLU 1754Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1y98 h GLU 1754CO -0.17 0.77 -0.02 0.43 -1.00 0.00 0.00 179.01 179.01 1y98 n SER 1755N -4.67 3.41 0.00 1.42 7.64 0.03 -4.50 113.62 116.94 1y98 n SER 1755Ca -0.08 -1.98 0.09 0.00 1.01 0.00 0.00 58.87 57.91 1y98 n SER 1755Cb 0.38 -0.78 0.50 0.00 -1.01 0.00 0.00 64.21 63.30 1y98 n SER 1755CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y98 n GLN 1756N 2.00 0.37 0.00 1.43 1.13 -1.25 -3.49 117.38 117.56 1y98 n GLN 1756Ca 0.09 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 1y98 n GLN 1756Cb 0.41 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.26 1y98 n GLN 1756CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1y98 n ASP 1757N -1.19 0.00 -4.00 1.08 5.75 -1.26 -4.73 116.55 112.19 1y98 n ASP 1757Ca 0.11 0.01 -0.22 0.00 -0.01 0.00 0.00 54.79 54.68 1y98 n ASP 1757Cb 0.12 -0.30 -0.09 0.00 -1.03 0.00 0.00 41.12 39.83 1y98 n ASP 1757CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1y98 n ARG 1758N -2.07 0.03 -3.24 0.11 5.12 -1.23 -4.84 116.66 110.53 1y98 n ARG 1758Ca 0.00 -0.94 -0.41 0.00 -1.93 0.00 0.00 57.85 54.57 1y98 n ARG 1758Cb 0.00 -2.54 -0.08 0.00 -1.16 0.00 0.00 32.46 28.68 1y98 n ARG 1758CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1y98 s LYS 1759N 6.62 3.61 0.54 5.56 2.20 -1.24 -4.84 119.74 132.19 1y98 s LYS 1759Ca 0.53 -0.18 0.46 0.00 -0.36 0.00 0.00 55.97 56.42 1y98 s LYS 1759Cb 0.04 -3.81 1.68 0.00 -1.51 0.00 0.00 37.83 34.22 1y98 s LYS 1759CO 0.20 -0.65 1.61 -0.84 -0.36 0.00 0.00 175.35 175.31 1y98 h ILE 1760N 5.62 0.08 -0.44 5.43 3.07 -1.87 0.37 117.51 129.76 1y98 h ILE 1760Ca -0.28 -0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.13 1y98 h ILE 1760Cb 1.12 0.07 0.00 0.00 -0.27 0.00 0.00 36.82 37.74 1y98 h ILE 1760CO 0.77 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.36 1y98 n PHE 1761N -4.08 1.28 -0.77 0.16 3.72 -0.12 -4.44 117.46 113.22 1y98 n PHE 1761Ca 0.41 -0.73 -0.27 0.00 -0.05 0.00 0.00 57.45 56.81 1y98 n PHE 1761Cb 1.83 -0.31 -0.02 0.00 -0.94 0.00 0.00 39.48 40.04 1y98 n PHE 1761CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1y98 n ARG 1762N 0.29 0.00 -2.14 -1.08 1.74 0.13 -1.81 116.66 113.79 1y98 n ARG 1762Ca 0.23 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.24 1y98 n ARG 1762Cb 0.90 -0.62 -0.01 0.00 -1.02 0.00 0.00 32.46 31.72 1y98 n ARG 1762CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y98 n GLY 1763N 0.99 -0.22 3.94 -0.13 0.00 -1.24 -4.94 105.19 103.58 1y98 n GLY 1763Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1y98 n GLY 1763CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y98 s LEU 1764N -4.68 4.20 -0.22 0.99 2.01 -0.75 -3.69 118.68 116.54 1y98 s LEU 1764Ca 0.00 -0.00 -0.04 0.00 0.01 0.00 0.00 54.13 54.10 1y98 s LEU 1764Cb 0.00 -2.74 0.07 0.00 0.01 0.00 0.00 46.19 43.53 1y98 s LEU 1764CO 0.00 -0.06 0.09 -0.70 1.01 0.00 0.00 176.35 176.69 1y98 s GLU 1765N -3.93 0.30 0.07 1.70 2.12 -0.42 -2.59 118.70 115.96 1y98 s GLU 1765Ca 0.34 -0.38 0.04 0.00 0.36 0.00 0.00 54.97 55.33 1y98 s GLU 1765Cb -0.09 -1.74 -0.04 0.00 0.26 0.00 0.00 34.13 32.53 1y98 s GLU 1765CO 0.28 -0.79 -0.01 0.42 -0.54 0.00 0.00 175.26 174.62 1y98 s ILE 1766N 2.01 3.95 -0.16 -3.70 1.01 -0.20 -1.10 121.20 123.01 1y98 s ILE 1766Ca 0.04 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 1y98 s ILE 1766Cb -0.16 -2.85 0.04 0.00 0.01 0.00 0.00 42.46 39.50 1y98 s ILE 1766CO -0.18 0.18 -0.05 0.00 0.00 0.00 0.00 174.94 174.89 1y98 s TYR 1769N 4.42 2.10 1.12 0.00 5.04 -0.79 -4.95 117.35 124.30 1y98 s TYR 1769Ca 0.44 0.08 -0.19 0.00 -2.44 0.00 0.00 57.07 54.95 1y98 s TYR 1769Cb -0.01 -4.39 0.09 0.00 0.35 0.00 0.00 41.96 38.00 1y98 s TYR 1769CO -0.09 -2.02 -0.08 0.41 -1.34 0.00 0.00 175.55 172.44 1y98 n GLY 1770N 6.20 -2.53 3.96 8.97 0.00 -1.26 -4.67 105.19 115.86 1y98 n GLY 1770Ca 0.24 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 1y98 n GLY 1770CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1y98 s PRO 1771N -3.37 3.33 0.01 1.61 0.04 -1.26 -4.96 135.00 130.40 1y98 s PRO 1771Ca 0.55 -0.63 0.02 0.00 0.04 0.00 0.00 61.00 60.98 1y98 s PRO 1771Cb -0.10 -2.75 -0.01 0.00 0.04 0.00 0.00 34.50 31.68 1y98 s PRO 1771CO 0.66 0.15 -0.07 -0.06 0.04 0.00 0.00 177.00 177.73 1y98 s PHE 1772N -2.22 0.58 0.21 0.56 0.08 -1.26 -4.49 117.98 111.44 1y98 s PHE 1772Ca 0.40 -0.22 -0.22 0.00 0.12 0.00 0.00 56.93 57.02 1y98 s PHE 1772Cb -0.09 -0.36 -0.08 0.00 -0.57 0.00 0.00 43.02 41.91 1y98 s PHE 1772CO 0.33 -0.03 0.75 0.95 -0.10 0.00 0.00 175.22 177.12 1y98 s THR 1773N -0.51 4.49 -1.32 0.64 -4.23 -1.26 -4.47 115.64 108.99 1y98 s THR 1773Ca -0.01 1.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.94 1y98 s THR 1773Cb -0.05 -3.95 0.00 0.00 1.34 0.00 0.00 72.50 69.84 1y98 s THR 1773CO 0.00 0.31 0.00 0.59 -0.54 0.00 0.00 174.62 174.98 1y98 n ASN 1774N 1.01 -4.49 -3.15 3.99 5.03 -1.26 -4.89 115.26 111.50 1y98 n ASN 1774Ca -0.03 0.12 0.06 0.00 0.87 0.00 0.00 54.58 55.59 1y98 n ASN 1774Cb 0.50 -3.50 -0.00 0.00 -1.02 0.00 0.00 39.78 35.76 1y98 n ASN 1774CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 1y98 s MET 1775N -4.18 0.14 0.33 3.52 0.00 -1.26 -4.94 119.30 112.91 1y98 s MET 1775Ca 0.00 0.16 -0.28 0.00 0.00 0.00 0.00 55.69 55.57 1y98 s MET 1775Cb 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 34.83 34.78 1y98 s MET 1775CO 0.00 -0.24 1.33 -0.35 0.00 0.00 0.00 175.02 175.76 1y98 n PRO 1776N 5.18 2.18 -0.30 4.11 -0.04 -1.26 -4.67 135.00 140.20 1y98 n PRO 1776Ca 0.06 0.77 0.05 0.00 -0.04 0.00 0.00 63.50 64.34 1y98 n PRO 1776Cb 0.57 -2.38 0.14 0.00 -0.04 0.00 0.00 33.50 31.79 1y98 n PRO 1776CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1y98 h THR 1777N 2.67 0.16 0.00 0.52 2.02 -1.98 0.12 112.91 116.42 1y98 h THR 1777Ca -0.46 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1y98 h THR 1777Cb 1.28 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1y98 h THR 1777CO 0.65 0.00 0.00 -2.24 0.37 0.00 0.00 175.52 174.30 1y98 h ASP 1778N 0.02 0.00 -0.00 4.18 2.03 -1.98 0.20 116.42 120.87 1y98 h ASP 1778Ca 0.43 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.72 1y98 h ASP 1778Cb 0.71 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.21 1y98 h ASP 1778CO -0.85 0.00 -0.04 1.56 -1.03 0.00 0.00 179.24 178.88 1y98 h GLN 1779N 0.00 0.03 -0.60 4.15 1.08 -1.11 0.23 115.11 118.88 1y98 h GLN 1779Ca 0.00 -0.03 0.11 0.00 -1.45 0.00 0.00 58.65 57.28 1y98 h GLN 1779Cb 0.22 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.57 1y98 h GLN 1779CO 0.00 0.77 0.14 1.25 -0.95 0.00 0.00 178.83 180.04 1y98 h LEU 1780N -0.70 0.03 -0.28 1.46 5.85 -0.62 0.57 115.31 121.62 1y98 h LEU 1780Ca -0.00 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1y98 h LEU 1780Cb 0.78 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1y98 h LEU 1780CO 0.01 0.02 0.15 -0.33 -0.34 0.00 0.00 178.44 177.95 1y98 h GLU 1781N 0.27 0.39 -0.74 1.25 5.08 -0.67 -0.45 114.58 119.72 1y98 h GLU 1781Ca 0.32 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.69 1y98 h GLU 1781Cb 0.46 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 1y98 h GLU 1781CO -0.39 0.35 0.43 2.35 -1.00 0.00 0.00 179.01 180.75 1y98 h TRP 1782N 0.33 0.79 0.48 4.33 7.01 0.22 0.07 115.95 129.18 1y98 h TRP 1782Ca 0.10 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 1y98 h TRP 1782Cb 0.08 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.87 1y98 h TRP 1782CO -0.03 0.38 -0.47 1.98 -2.79 0.00 0.00 178.44 177.51 1y98 h MET 1783N 0.78 -0.92 -0.95 2.65 4.05 0.78 0.20 114.93 121.52 1y98 h MET 1783Ca 0.33 0.06 0.08 0.00 -0.28 0.00 0.00 59.70 59.89 1y98 h MET 1783Cb 0.19 0.21 -0.07 0.00 -0.80 0.00 0.00 31.60 31.13 1y98 h MET 1783CO -0.18 -0.61 0.60 -0.39 0.23 0.00 0.00 176.91 176.56 1y98 h VAL 1784N -0.95 1.04 0.07 -5.77 -1.51 -0.76 -2.16 116.25 106.20 1y98 h VAL 1784Ca -0.05 -0.37 0.01 0.00 -1.23 0.00 0.00 66.70 65.06 1y98 h VAL 1784Cb 0.83 -0.13 -0.02 0.00 -2.13 0.00 0.00 31.29 29.85 1y98 h VAL 1784CO -0.06 0.19 -0.11 1.56 -1.23 0.00 0.00 177.57 177.93 1y98 h GLN 1785N 1.07 -0.22 -0.15 5.19 4.20 -0.58 -0.80 115.11 123.82 1y98 h GLN 1785Ca 0.43 0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.20 1y98 h GLN 1785Cb 0.23 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1y98 h GLN 1785CO -0.19 -0.15 0.34 -0.07 -0.67 0.00 0.00 178.83 178.09 1y98 h LEU 1786N -0.23 0.00 -1.91 1.46 3.38 0.03 0.70 115.31 118.75 1y98 h LEU 1786Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1y98 h LEU 1786Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1y98 h LEU 1786CO -0.06 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.47 1y98 n GLY 1788N 1.34 0.49 3.95 0.00 0.00 0.24 -0.95 105.19 110.27 1y98 n GLY 1788Ca 0.18 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 1y98 n GLY 1788CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y98 s ALA 1789N -2.00 3.14 0.12 4.61 0.00 -0.72 -3.53 121.76 123.38 1y98 s ALA 1789Ca 0.00 -1.31 0.09 0.00 0.00 0.00 0.00 51.96 50.74 1y98 s ALA 1789Cb 0.00 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 1y98 s ALA 1789CO 0.00 -1.65 -0.23 -1.54 0.00 0.00 0.00 175.76 172.35 1y98 s SER 1790N -4.69 2.84 -0.22 0.00 1.04 -1.07 -4.37 113.70 107.22 1y98 s SER 1790Ca 0.66 -0.73 -0.07 0.00 0.48 0.00 0.00 55.95 56.29 1y98 s SER 1790Cb -0.07 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 1y98 s SER 1790CO 0.47 0.09 0.05 -0.69 0.98 0.00 0.00 173.24 174.14 1y98 s VAL 1791N -1.24 4.36 -0.05 5.02 1.01 -1.26 -1.03 120.40 127.20 1y98 s VAL 1791Ca 0.10 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 1y98 s VAL 1791Cb -0.09 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1y98 s VAL 1791CO 0.05 0.38 0.19 -0.69 0.00 0.00 0.00 175.10 175.04 1y98 s VAL 1792N 1.20 5.43 -0.18 2.92 1.01 -0.01 -4.97 120.40 125.80 1y98 s VAL 1792Ca 0.04 0.07 0.22 0.00 0.00 0.00 0.00 61.98 62.32 1y98 s VAL 1792Cb -0.14 -3.50 -0.18 0.00 0.00 0.00 0.00 36.38 32.55 1y98 s VAL 1792CO 0.03 0.45 0.76 0.29 0.00 0.00 0.00 175.10 176.63 1y98 n LYS 1793N 1.39 0.59 -3.78 2.72 4.76 -1.26 -4.28 118.16 118.30 1y98 n LYS 1793Ca -0.14 -0.05 -0.13 0.00 -2.87 0.00 0.00 58.31 55.11 1y98 n LYS 1793Cb 0.54 -1.65 -0.14 0.00 -1.84 0.00 0.00 35.03 31.94 1y98 n LYS 1793CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1y98 s GLU 1794N -3.42 0.11 0.38 1.97 0.41 -1.26 -4.98 118.70 111.91 1y98 s GLU 1794Ca -0.04 0.28 0.18 0.00 -0.41 0.00 0.00 54.97 54.98 1y98 s GLU 1794Cb 0.12 -0.07 1.12 0.00 -1.78 0.00 0.00 34.13 33.53 1y98 s GLU 1794CO 0.85 -0.10 1.71 -0.07 -0.49 0.00 0.00 175.26 177.16 1y98 h LEU 1795N 6.68 0.46 0.00 1.80 3.38 -1.96 0.25 115.31 125.92 1y98 h LEU 1795Ca -0.35 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1y98 h LEU 1795Cb 1.17 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1y98 h LEU 1795CO 0.43 -0.02 -0.23 0.77 0.09 0.00 0.00 178.44 179.49 1y98 h SER 1796N 0.35 0.00 -0.04 -0.43 4.64 -1.96 -3.34 113.55 112.76 1y98 h SER 1796Ca 0.68 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.94 1y98 h SER 1796Cb 1.70 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.79 1y98 h SER 1796CO -0.42 0.03 0.00 -1.20 -0.87 0.00 0.00 176.83 174.37 1y98 n SER 1797N -2.35 1.48 -4.77 4.97 7.64 0.87 -4.87 113.62 116.59 1y98 n SER 1797Ca 0.04 -2.07 -0.36 0.00 1.01 0.00 0.00 58.87 57.49 1y98 n SER 1797Cb 0.45 -0.51 -0.01 0.00 -1.01 0.00 0.00 64.21 63.13 1y98 n SER 1797CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1y98 s PHE 1798N -1.04 2.83 -0.86 1.43 0.08 -1.26 -4.88 117.98 114.29 1y98 s PHE 1798Ca 0.04 1.54 0.01 0.00 0.12 0.00 0.00 56.93 58.63 1y98 s PHE 1798Cb 0.03 -3.34 0.34 0.00 -0.57 0.00 0.00 43.02 39.47 1y98 s PHE 1798CO 0.01 -1.49 1.61 2.41 -0.10 0.00 0.00 175.22 177.66 1y98 n THR 1799N -0.72 4.80 -0.62 0.64 -1.04 -1.26 -5.03 114.28 111.04 1y98 n THR 1799Ca 0.08 -5.57 -0.30 0.00 -2.04 0.00 0.00 64.05 56.22 1y98 n THR 1799Cb 0.49 -1.45 0.19 0.00 -1.82 0.00 0.00 70.33 67.74 1y98 n THR 1799CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1y98 n LEU 1800N -0.21 2.05 0.00 -4.42 4.77 -1.26 -4.82 117.00 113.11 1y98 n LEU 1800Ca 0.44 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 1y98 n LEU 1800Cb 0.31 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 1y98 n LEU 1800CO 0.46 -2.48 0.00 0.61 -1.33 0.00 0.00 177.39 174.66 1y98 n GLY 1801N 0.49 0.04 3.87 -0.72 0.00 -1.26 -5.06 105.19 102.55 1y98 n GLY 1801Ca 0.10 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 1y98 n GLY 1801CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1y98 s THR 1802N -1.65 4.81 0.00 2.61 -1.32 -1.26 -4.64 115.64 114.20 1y98 s THR 1802Ca 0.00 0.59 0.00 0.00 -1.21 0.00 0.00 61.69 61.07 1y98 s THR 1802Cb 0.00 -3.69 0.00 0.00 -1.51 0.00 0.00 72.50 67.30 1y98 s THR 1802CO 0.00 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 172.65 1y98 n GLY 1803N -0.93 0.63 3.46 6.08 0.00 -1.26 -4.89 105.19 108.27 1y98 n GLY 1803Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1y98 n GLY 1803CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y98 s VAL 1804N 0.00 5.21 -0.07 1.61 1.01 -1.26 -5.01 120.40 121.89 1y98 s VAL 1804Ca 0.00 -0.64 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 1y98 s VAL 1804Cb 0.00 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1y98 s VAL 1804CO 0.00 -0.28 0.63 -1.00 0.00 0.00 0.00 175.10 174.45 1y98 s HIS 1805N 1.67 3.57 0.24 5.22 0.09 -1.24 -4.76 115.29 120.09 1y98 s HIS 1805Ca 0.05 1.14 -0.09 0.00 -0.00 0.00 0.00 55.06 56.16 1y98 s HIS 1805Cb -0.19 -2.71 -0.07 0.00 -0.00 0.00 0.00 32.58 29.61 1y98 s HIS 1805CO 0.10 0.14 0.56 -1.25 -0.00 0.00 0.00 174.74 174.28 1y98 s PRO 1806N 0.65 3.78 -0.08 8.40 0.04 -1.26 -1.30 135.00 145.24 1y98 s PRO 1806Ca 0.34 0.25 -0.04 0.00 0.04 0.00 0.00 61.00 61.58 1y98 s PRO 1806Cb -0.17 -2.64 0.04 0.00 0.04 0.00 0.00 34.50 31.77 1y98 s PRO 1806CO 0.16 0.29 0.18 0.42 0.04 0.00 0.00 177.00 178.08 1y98 s ILE 1807N -1.87 -0.04 -0.20 0.56 -1.09 -0.26 -4.23 121.20 114.07 1y98 s ILE 1807Ca 0.47 0.14 -0.12 0.00 -2.23 0.00 0.00 60.65 58.91 1y98 s ILE 1807Cb -0.11 -0.28 -0.05 0.00 -1.58 0.00 0.00 42.46 40.44 1y98 s ILE 1807CO 0.23 0.06 0.22 -0.69 -1.23 0.00 0.00 174.94 173.52 1y98 s VAL 1808N 0.98 5.34 -0.15 2.92 1.01 -0.57 -0.20 120.40 129.73 1y98 s VAL 1808Ca -0.07 0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 1y98 s VAL 1808Cb -0.09 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1y98 s VAL 1808CO -0.05 0.38 -0.06 -0.69 0.00 0.00 0.00 175.10 174.68 1y98 s VAL 1809N 0.63 3.66 0.20 2.92 1.01 0.27 -0.72 120.40 128.38 1y98 s VAL 1809Ca 0.12 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1y98 s VAL 1809Cb -0.13 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1y98 s VAL 1809CO 0.02 0.49 0.03 0.68 0.00 0.00 0.00 175.10 176.33 1y98 s VAL 1810N 0.45 0.65 -0.57 2.92 -7.23 0.40 -1.88 120.40 115.14 1y98 s VAL 1810Ca -0.05 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.17 1y98 s VAL 1810Cb -0.15 -2.31 0.14 0.00 0.56 0.00 0.00 36.38 34.63 1y98 s VAL 1810CO 0.03 -0.30 0.32 -1.58 -0.31 0.00 0.00 175.10 173.26 1y98 s GLN 1811N -3.96 2.06 0.17 4.82 0.74 -1.26 0.19 119.66 122.42 1y98 s GLN 1811Ca 0.29 -2.79 -0.29 0.00 0.05 0.00 0.00 55.36 52.62 1y98 s GLN 1811Cb 0.07 -3.27 -0.02 0.00 1.10 0.00 0.00 33.01 30.88 1y98 s GLN 1811CO 0.08 -1.16 1.54 -1.35 -0.55 0.00 0.00 175.29 173.84 1y98 h PRO 1812N 6.19 -0.06 -0.73 1.67 0.10 -1.95 -0.46 132.00 136.76 1y98 h PRO 1812Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.09 1y98 h PRO 1812Cb 0.85 0.01 0.00 0.00 0.10 0.00 0.00 31.00 31.97 1y98 h PRO 1812CO 0.68 -0.04 0.00 -0.40 0.10 0.00 0.00 178.00 178.34 1y98 n ASP 1813N -5.31 0.73 -0.98 -2.05 5.68 -1.26 -1.63 116.55 111.74 1y98 n ASP 1813Ca 0.02 -1.93 0.12 0.00 -0.50 0.00 0.00 54.79 52.50 1y98 n ASP 1813Cb 0.30 -0.37 0.24 0.00 -1.14 0.00 0.00 41.12 40.15 1y98 n ASP 1813CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1y98 n ALA 1814N -0.11 2.45 -2.57 2.12 0.00 -0.18 -4.99 120.51 117.23 1y98 n ALA 1814Ca 0.00 -0.83 -0.35 0.00 0.00 0.00 0.00 53.44 52.26 1y98 n ALA 1814Cb 0.18 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 1y98 n ALA 1814CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1y98 s TRP 1815N -1.66 3.60 0.00 0.00 0.52 -0.65 -4.81 118.94 115.95 1y98 s TRP 1815Ca 0.36 0.81 0.00 0.00 0.02 0.00 0.00 56.10 57.28 1y98 s TRP 1815Cb 0.21 -2.17 0.00 0.00 -1.15 0.00 0.00 33.47 30.36 1y98 s TRP 1815CO 0.30 0.54 0.00 2.41 0.02 0.00 0.00 176.95 180.22 1y98 n THR 1816N 1.03 0.00 -2.41 2.01 -1.04 -1.26 -4.43 114.28 108.18 1y98 n THR 1816Ca -0.09 0.08 -0.37 0.00 -2.04 0.00 0.00 64.05 61.63 1y98 n THR 1816Cb 0.52 -0.37 -0.04 0.00 -1.82 0.00 0.00 70.33 68.63 1y98 n THR 1816CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1y98 s GLU 1817N 0.00 3.26 0.00 -2.82 2.56 -1.26 -4.98 118.70 115.47 1y98 s GLU 1817Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.97 54.18 1y98 s GLU 1817Cb 0.00 -5.17 0.00 0.00 2.00 0.00 0.00 34.13 30.96 1y98 s GLU 1817CO 0.00 -2.53 0.00 -0.40 -0.56 0.00 0.00 175.26 171.77 1y98 n ASP 1818N 10.37 0.00 0.00 -1.70 5.68 -1.26 -4.37 116.55 125.27 1y98 n ASP 1818Ca 0.32 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.61 1y98 n ASP 1818Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1y98 n ASP 1818CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1y98 n ASN 1819N 0.00 0.00 -0.25 -1.12 5.03 -1.26 -4.65 115.26 113.01 1y98 n ASN 1819Ca 0.00 0.00 0.26 0.00 0.87 0.00 0.00 54.58 55.71 1y98 n ASN 1819Cb 0.00 -0.59 0.63 0.00 -1.02 0.00 0.00 39.78 38.80 1y98 n ASN 1819CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1y98 h GLY 1820N 0.00 0.49 -0.39 7.41 0.00 -2.00 0.35 103.07 108.92 1y98 h GLY 1820Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1y98 h GLY 1820CO 0.00 -0.03 0.00 1.97 0.00 0.00 0.00 176.54 178.48 1y98 n PHE 1821N -4.40 0.00 -0.01 5.60 1.16 -1.26 -1.99 117.46 116.57 1y98 n PHE 1821Ca 0.21 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.83 1y98 n PHE 1821Cb 0.92 -0.03 -0.07 0.00 -1.61 0.00 0.00 39.48 38.70 1y98 n PHE 1821CO 0.00 0.00 0.00 0.72 -1.87 0.00 0.00 176.76 175.61 1y98 n HIS 1822N -0.23 0.00 0.56 2.97 8.25 0.12 -4.61 115.22 122.28 1y98 n HIS 1822Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1y98 n HIS 1822Cb 0.06 -0.22 0.09 0.00 1.12 0.00 0.00 29.99 31.04 1y98 n HIS 1822CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y98 n ALA 1823N -1.85 2.85 0.08 -1.41 0.00 -0.84 -2.22 120.51 117.12 1y98 n ALA 1823Ca -0.03 -0.46 0.05 0.00 0.00 0.00 0.00 53.44 53.01 1y98 n ALA 1823Cb 0.28 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 1y98 n ALA 1823CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1y98 h ILE 1824N 0.86 0.33 -0.58 0.00 2.04 -1.82 -3.29 117.51 115.06 1y98 h ILE 1824Ca 0.01 -1.60 -0.04 0.00 1.00 0.00 0.00 64.86 64.23 1y98 h ILE 1824Cb 0.89 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 1y98 h ILE 1824CO 0.13 0.19 0.21 1.23 0.00 0.00 0.00 178.15 179.90 1y98 h GLY 1825N 3.81 0.91 0.35 5.37 0.00 -1.80 -1.57 103.07 110.15 1y98 h GLY 1825Ca -0.08 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1y98 h GLY 1825CO 0.03 0.45 0.00 -1.06 0.00 0.00 0.00 176.54 175.96 1y98 n GLN 1826N -4.31 0.49 0.00 4.80 6.02 -1.24 -2.25 117.38 120.88 1y98 n GLN 1826Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1y98 n GLN 1826Cb 0.18 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.26 1y98 n GLN 1826CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1y98 n MET 1827N -0.68 3.58 -3.39 -1.09 2.81 -0.61 -5.12 117.12 112.62 1y98 n MET 1827Ca 0.04 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1y98 n MET 1827Cb 0.02 -0.43 0.00 0.00 -0.71 0.00 0.00 33.22 32.10 1y98 n MET 1827CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1y98 n GLU 1829N -0.21 3.49 -4.43 0.00 -0.58 -1.26 -4.56 120.64 113.08 1y98 n GLU 1829Ca 0.00 -4.19 -0.21 0.00 -0.42 0.00 0.00 57.16 52.34 1y98 n GLU 1829Cb 0.00 -2.29 -0.14 0.00 -0.57 0.00 0.00 31.44 28.44 1y98 n GLU 1829CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1y98 s ALA 1830N -3.88 1.23 0.44 0.62 0.00 -1.26 -4.92 121.76 113.98 1y98 s ALA 1830Ca 0.48 -0.81 -0.24 0.00 0.00 0.00 0.00 51.96 51.39 1y98 s ALA 1830Cb 0.36 -0.22 -0.09 0.00 0.00 0.00 0.00 23.12 23.17 1y98 s ALA 1830CO -0.26 0.25 1.16 -0.35 0.00 0.00 0.00 175.76 176.56 1y98 n PRO 1831N 2.05 1.64 -3.81 0.00 -0.04 -1.26 -4.82 135.00 128.75 1y98 n PRO 1831Ca -0.17 0.59 -0.35 0.00 -0.04 0.00 0.00 63.50 63.52 1y98 n PRO 1831Cb 0.55 -2.26 -0.12 0.00 -0.04 0.00 0.00 33.50 31.63 1y98 n PRO 1831CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1y98 s VAL 1832N -1.25 3.15 0.22 0.52 1.01 -1.26 -1.51 120.40 121.28 1y98 s VAL 1832Ca 0.63 -2.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.45 1y98 s VAL 1832Cb -0.52 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1y98 s VAL 1832CO 0.56 -0.68 0.45 0.68 0.00 0.00 0.00 175.10 176.11 1y98 s VAL 1833N 1.07 5.12 0.68 2.92 -7.23 0.11 -0.73 120.40 122.33 1y98 s VAL 1833Ca 0.09 -0.06 -0.17 0.00 -1.81 0.00 0.00 61.98 60.03 1y98 s VAL 1833Cb -0.22 -3.69 -0.00 0.00 0.56 0.00 0.00 36.38 33.02 1y98 s VAL 1833CO -0.05 -0.16 1.08 0.35 -0.31 0.00 0.00 175.10 176.02 1y98 n THR 1834N -0.51 3.59 0.11 5.32 -2.24 -0.95 -0.45 114.28 119.14 1y98 n THR 1834Ca -0.03 -0.42 0.18 0.00 -2.27 0.00 0.00 64.05 61.51 1y98 n THR 1834Cb 0.53 -1.23 0.75 0.00 -2.10 0.00 0.00 70.33 68.28 1y98 n THR 1834CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1y98 h ARG 1835N 0.06 0.00 -0.13 -0.78 2.43 -0.60 -1.29 114.38 114.07 1y98 h ARG 1835Ca -0.49 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.72 1y98 h ARG 1835Cb 1.34 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1y98 h ARG 1835CO 0.49 0.00 0.13 0.93 -1.51 0.00 0.00 179.97 180.01 1y98 h GLU 1836N 0.00 0.00 -0.54 0.20 4.39 -1.92 0.12 114.58 116.83 1y98 h GLU 1836Ca 0.17 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.80 1y98 h GLU 1836Cb 0.77 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 1y98 h GLU 1836CO -0.00 0.00 0.08 2.35 -1.16 0.00 0.00 179.01 180.27 1y98 h TRP 1837N 0.00 0.90 0.05 4.33 7.01 -1.60 0.18 115.95 126.82 1y98 h TRP 1837Ca 0.06 -0.11 -0.00 0.00 2.11 0.00 0.00 58.89 60.95 1y98 h TRP 1837Cb 0.31 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.12 1y98 h TRP 1837CO 0.00 0.78 -0.02 0.28 -2.79 0.00 0.00 178.44 176.69 1y98 h VAL 1838N 0.81 1.30 -0.12 2.65 2.07 -0.96 -2.22 116.25 119.77 1y98 h VAL 1838Ca 0.17 -1.59 0.03 0.00 0.82 0.00 0.00 66.70 66.12 1y98 h VAL 1838Cb 0.38 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1y98 h VAL 1838CO 0.01 0.37 -0.04 -0.07 0.02 0.00 0.00 177.57 177.86 1y98 h LEU 1839N -0.83 -0.15 -0.33 2.57 3.38 -1.19 0.34 115.31 119.10 1y98 h LEU 1839Ca -0.01 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1y98 h LEU 1839Cb 0.66 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1y98 h LEU 1839CO 0.01 -0.06 0.19 0.44 0.09 0.00 0.00 178.44 179.11 1y98 h ASP 1840N -0.02 0.41 -0.35 -0.43 3.32 -0.76 0.20 116.42 118.79 1y98 h ASP 1840Ca 0.06 -0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.11 1y98 h ASP 1840Cb 0.12 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.49 1y98 h ASP 1840CO -0.14 0.37 -0.11 0.28 -1.72 0.00 0.00 179.24 177.91 1y98 h SER 1841N 0.42 -0.40 -0.37 6.45 0.02 -0.69 -0.78 113.55 118.19 1y98 h SER 1841Ca 0.12 0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 1y98 h SER 1841Cb 0.04 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1y98 h SER 1841CO -0.02 -0.15 0.04 0.58 -1.14 0.00 0.00 176.83 176.14 1y98 h VAL 1842N -0.04 1.25 -0.52 2.27 2.07 -0.02 -0.04 116.25 121.22 1y98 h VAL 1842Ca 0.17 -0.90 0.10 0.00 0.82 0.00 0.00 66.70 66.90 1y98 h VAL 1842Cb 0.30 1.11 -0.10 0.00 -1.52 0.00 0.00 31.29 31.08 1y98 h VAL 1842CO -0.38 0.30 -0.12 0.00 0.02 0.00 0.00 177.57 177.39 1y98 h ALA 1843N 0.90 0.36 -0.01 1.67 0.00 0.06 -0.90 119.26 121.34 1y98 h ALA 1843Ca 0.11 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1y98 h ALA 1843Cb 0.40 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1y98 h ALA 1843CO 0.01 -0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.11 1y98 n LEU 1844N -5.36 0.78 -3.76 0.00 4.77 -0.36 -3.87 117.00 109.20 1y98 n LEU 1844Ca 0.05 -0.27 -0.23 0.00 -0.03 0.00 0.00 56.01 55.53 1y98 n LEU 1844Cb 0.28 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1y98 n LEU 1844CO 0.10 0.13 -0.20 0.00 -1.33 0.00 0.00 177.39 176.09 1y98 n TYR 1845N -0.38 -0.78 -3.21 -1.77 9.36 -0.12 -4.55 117.16 115.70 1y98 n TYR 1845Ca 0.21 0.21 0.04 0.00 3.32 0.00 0.00 57.90 61.67 1y98 n TYR 1845Cb 0.24 -1.67 -0.01 0.00 -0.63 0.00 0.00 39.34 37.26 1y98 n TYR 1845CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 1y98 s GLN 1846N -6.04 0.52 -0.72 2.98 -2.07 -0.63 -4.81 119.66 108.89 1y98 s GLN 1846Ca 0.14 0.98 -0.36 0.00 -1.82 0.00 0.00 55.36 54.29 1y98 s GLN 1846Cb -0.08 0.55 -0.19 0.00 -1.09 0.00 0.00 33.01 32.20 1y98 s GLN 1846CO 0.60 -0.52 2.42 0.00 -1.32 0.00 0.00 175.29 176.47 1y98 s GLN 1848N 7.52 2.45 0.18 0.00 -1.52 -1.26 -5.02 119.66 122.00 1y98 s GLN 1848Ca 1.25 1.01 -0.16 0.00 -1.95 0.00 0.00 55.36 55.51 1y98 s GLN 1848Cb -1.26 -1.93 -0.07 0.00 -0.22 0.00 0.00 33.01 29.52 1y98 s GLN 1848CO 0.55 -1.46 0.62 -1.83 -0.25 0.00 0.00 175.29 172.92 1y98 s GLU 1849N -4.99 4.08 0.42 2.91 -1.05 -1.26 -4.95 118.70 113.86 1y98 s GLU 1849Ca 0.60 0.64 0.16 0.00 -0.15 0.00 0.00 54.97 56.22 1y98 s GLU 1849Cb -0.16 -2.89 0.92 0.00 -0.44 0.00 0.00 34.13 31.56 1y98 s GLU 1849CO 0.56 0.43 1.90 -0.07 0.95 0.00 0.00 175.26 179.03 1y98 h LEU 1850N 3.45 0.00 -0.70 1.83 3.38 -1.99 -3.35 115.31 117.93 1y98 h LEU 1850Ca -0.48 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.57 1y98 h LEU 1850Cb 1.19 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 1y98 h LEU 1850CO 0.66 0.28 -0.36 0.47 0.09 0.00 0.00 178.44 179.58 1y98 n ASP 1851N -4.02 -0.64 -0.01 -0.43 9.92 -1.26 0.17 116.55 120.28 1y98 n ASP 1851Ca -0.02 1.24 0.16 0.00 -0.53 0.00 0.00 54.79 55.63 1y98 n ASP 1851Cb 0.34 -0.20 0.88 0.00 -0.64 0.00 0.00 41.12 41.50 1y98 n ASP 1851CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1y98 n THR 1852N -4.93 0.00 0.40 -3.53 -2.24 -1.26 -2.86 114.28 99.86 1y98 n THR 1852Ca 0.04 -0.01 0.04 0.00 -2.27 0.00 0.00 64.05 61.85 1y98 n THR 1852Cb 0.22 -0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 1y98 n THR 1852CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1y98 n TYR 1853N -1.06 0.00 -1.97 4.78 4.01 0.45 -5.03 117.16 118.33 1y98 n TYR 1853Ca 0.21 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.53 1y98 n TYR 1853Cb 0.16 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 1y98 n TYR 1853CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1y98 s LEU 1854N -2.12 4.37 -0.10 7.72 1.43 -0.20 -2.25 118.68 127.53 1y98 s LEU 1854Ca 0.05 2.61 -0.11 0.00 -1.03 0.00 0.00 54.13 55.65 1y98 s LEU 1854Cb 0.07 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.64 1y98 s LEU 1854CO 0.31 -0.78 0.25 -0.63 0.23 0.00 0.00 176.35 175.72 1y98 s ILE 1855N 0.82 5.32 0.21 -0.59 1.01 0.09 -4.94 121.20 123.12 1y98 s ILE 1855Ca 0.67 0.46 -0.20 0.00 0.00 0.00 0.00 60.65 61.58 1y98 s ILE 1855Cb -0.43 -3.54 -0.08 0.00 0.01 0.00 0.00 42.46 38.42 1y98 s ILE 1855CO 0.35 0.54 0.71 -2.16 0.00 0.00 0.00 174.94 174.38 1y98 s PRO 1856N -0.61 4.25 -0.18 2.79 0.04 -1.26 -4.63 135.00 135.40 1y98 s PRO 1856Ca 0.17 0.86 -0.04 0.00 0.04 0.00 0.00 61.00 62.03 1y98 s PRO 1856Cb -0.13 -2.90 -0.02 0.00 0.04 0.00 0.00 34.50 31.48 1y98 s PRO 1856CO 0.06 0.41 -0.03 -0.65 0.04 0.00 0.00 177.00 176.83 1y98 s GLN 1857N -1.92 3.56 -0.23 4.56 -1.52 -1.26 -4.83 119.66 118.02 1y98 s GLN 1857Ca 0.42 -0.56 -0.29 0.00 -1.95 0.00 0.00 55.36 52.98 1y98 s GLN 1857Cb -0.17 -2.97 -0.03 0.00 -0.22 0.00 0.00 33.01 29.62 1y98 s GLN 1857CO 0.21 0.06 1.76 0.42 -0.25 0.00 0.00 175.29 177.49 1y98 s ILE 1858N 0.84 3.51 -1.99 1.08 1.01 -0.94 -4.96 121.20 119.75 1y98 s ILE 1858Ca -0.01 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1y98 s ILE 1858Cb -0.14 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1y98 s ILE 1858CO 0.02 -0.27 0.50 -2.65 0.00 0.00 0.00 174.94 172.53