#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kg6 s ALA 1686N 0.00 2.06 0.20 5.20 0.00 -1.26 -4.94 121.76 123.02 3kg6 s ALA 1686Ca 0.00 0.82 -0.32 0.00 0.00 0.00 0.00 51.96 52.45 3kg6 s ALA 1686Cb 0.00 -3.46 -0.13 0.00 0.00 0.00 0.00 23.12 19.54 3kg6 s ALA 1686CO 0.00 -1.96 1.65 1.58 0.00 0.00 0.00 175.76 177.03 3kg6 n HIS 1687N -2.92 2.58 0.05 0.00 -0.00 -1.26 -4.84 115.22 108.83 3kg6 n HIS 1687Ca 0.13 0.15 0.15 0.00 0.46 0.00 0.00 57.72 58.62 3kg6 n HIS 1687Cb 0.51 -2.61 0.64 0.00 -0.12 0.00 0.00 29.99 28.40 3kg6 n HIS 1687CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3kg6 h PRO 1688N 6.17 0.08 0.00 1.57 0.11 -1.92 0.23 132.00 138.24 3kg6 h PRO 1688Ca -0.44 -0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.42 3kg6 h PRO 1688Cb 1.22 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 3kg6 h PRO 1688CO 0.91 0.05 -2.06 1.28 -0.21 0.00 0.00 178.00 177.97 3kg6 n LEU 1689N -4.44 0.00 -0.03 2.35 4.77 -1.26 -4.60 117.00 113.80 3kg6 n LEU 1689Ca 0.06 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.85 3kg6 n LEU 1689Cb 0.43 0.32 -0.13 0.00 -2.33 0.00 0.00 43.42 41.71 3kg6 n LEU 1689CO 0.36 0.32 -0.22 0.25 -1.33 0.00 0.00 177.39 176.77 3kg6 h LEU 1690N 0.00 0.23 0.00 2.23 5.85 -1.87 -3.42 115.31 118.32 3kg6 h LEU 1690Ca -0.36 -0.82 0.00 0.00 0.84 0.00 0.00 57.88 57.54 3kg6 h LEU 1690Cb 1.77 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.73 3kg6 h LEU 1690CO 0.02 1.43 0.00 0.61 -0.34 0.00 0.00 178.44 180.16 3kg6 n GLY 1691N 1.64 -2.16 3.76 3.75 0.00 0.80 -3.16 105.19 109.81 3kg6 n GLY 1691Ca -0.22 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 3kg6 n GLY 1691CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kg6 s GLU 1692N -0.20 3.44 0.18 1.61 0.41 -1.07 -4.48 118.70 118.59 3kg6 s GLU 1692Ca 0.00 1.92 -0.30 0.00 -0.41 0.00 0.00 54.97 56.18 3kg6 s GLU 1692Cb 0.00 -2.28 -0.08 0.00 -1.78 0.00 0.00 34.13 29.99 3kg6 s GLU 1692CO 0.00 -0.85 1.14 0.21 -0.49 0.00 0.00 175.26 175.27 3kg6 s LYS 1693N -2.87 4.54 -0.16 1.61 2.20 -1.26 -0.89 119.74 122.91 3kg6 s LYS 1693Ca 0.68 1.79 -0.24 0.00 -0.36 0.00 0.00 55.97 57.84 3kg6 s LYS 1693Cb -0.32 -3.26 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 3kg6 s LYS 1693CO 0.38 -0.01 0.77 0.42 -0.36 0.00 0.00 175.35 176.56 3kg6 s ILE 1694N -0.13 4.93 -0.66 5.43 1.01 0.11 -4.92 121.20 126.97 3kg6 s ILE 1694Ca 0.51 1.52 -0.26 0.00 0.00 0.00 0.00 60.65 62.42 3kg6 s ILE 1694Cb -0.31 -4.09 0.04 0.00 0.01 0.00 0.00 42.46 38.12 3kg6 s ILE 1694CO 0.36 0.07 1.15 0.21 0.00 0.00 0.00 174.94 176.73 3kg6 s ASN 1695N 1.13 6.26 0.01 3.58 2.47 -1.26 -4.56 114.94 122.56 3kg6 s ASN 1695Ca 0.36 -0.38 0.03 0.00 0.42 0.00 0.00 52.86 53.28 3kg6 s ASN 1695Cb -0.17 -2.52 -0.04 0.00 -1.45 0.00 0.00 41.25 37.08 3kg6 s ASN 1695CO 0.13 -1.59 -0.03 -0.76 -3.72 0.00 0.00 177.10 171.13 3kg6 s LEU 1696N 4.99 3.36 -0.24 3.21 1.43 -1.26 -5.05 118.68 125.11 3kg6 s LEU 1696Ca 0.34 -0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 53.26 3kg6 s LEU 1696Cb -0.10 -1.94 -0.16 0.00 0.03 0.00 0.00 46.19 44.01 3kg6 s LEU 1696CO 0.17 0.27 -0.14 0.00 0.23 0.00 0.00 176.35 176.89 3kg6 n ALA 1697N 1.38 1.17 0.82 4.21 0.00 -1.26 -4.67 120.51 122.15 3kg6 n ALA 1697Ca -0.15 -0.94 0.13 0.00 0.00 0.00 0.00 53.44 52.48 3kg6 n ALA 1697Cb 0.53 -0.15 0.32 0.00 0.00 0.00 0.00 19.45 20.15 3kg6 n ALA 1697CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kg6 n GLY 1698N 1.68 -1.41 2.88 0.00 0.00 -1.26 -4.71 105.19 102.36 3kg6 n GLY 1698Ca -0.46 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 3kg6 n GLY 1698CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kg6 s ILE 1699N -3.07 1.30 -0.12 -0.61 2.07 -1.26 -4.98 121.20 114.54 3kg6 s ILE 1699Ca 0.10 -1.19 0.15 0.00 -1.41 0.00 0.00 60.65 58.30 3kg6 s ILE 1699Cb 0.16 -1.69 -0.06 0.00 0.13 0.00 0.00 42.46 40.99 3kg6 s ILE 1699CO 0.66 -0.23 1.12 1.05 -1.91 0.00 0.00 174.94 175.62 3kg6 h GLU 1700N 8.00 0.00 0.00 3.50 9.09 -1.92 -3.36 114.58 129.89 3kg6 h GLU 1700Ca -0.16 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.25 3kg6 h GLU 1700Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.17 3kg6 h GLU 1700CO 0.41 0.44 0.00 -0.40 0.05 0.00 0.00 179.01 179.51 3kg6 n ASP 1701N -3.07 0.68 -4.35 3.06 5.75 -1.26 -4.75 116.55 112.61 3kg6 n ASP 1701Ca -0.04 0.57 -0.31 0.00 -0.01 0.00 0.00 54.79 55.00 3kg6 n ASP 1701Cb 0.81 -0.75 -0.15 0.00 -1.03 0.00 0.00 41.12 39.99 3kg6 n ASP 1701CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3kg6 s GLN 1702N -3.11 2.20 -0.06 0.11 -0.21 -1.26 -1.29 119.66 116.04 3kg6 s GLN 1702Ca 0.10 -0.88 0.04 0.00 0.02 0.00 0.00 55.36 54.65 3kg6 s GLN 1702Cb 0.13 -2.12 -0.02 0.00 1.00 0.00 0.00 33.01 32.00 3kg6 s GLN 1702CO 0.57 0.57 -0.18 -1.01 -2.12 0.00 0.00 175.29 173.12 3kg6 s HIS 1703N -0.64 2.63 -0.03 0.91 3.76 0.00 -4.96 115.29 116.95 3kg6 s HIS 1703Ca 0.10 -0.41 0.05 0.00 -0.15 0.00 0.00 55.06 54.65 3kg6 s HIS 1703Cb -0.10 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.93 3kg6 s HIS 1703CO -0.01 -0.00 -0.17 1.03 -0.85 0.00 0.00 174.74 174.74 3kg6 s ARG 1704N -0.38 1.59 0.07 1.40 0.52 -1.26 -0.40 118.95 120.49 3kg6 s ARG 1704Ca 0.04 -0.59 0.07 0.00 -0.52 0.00 0.00 55.73 54.73 3kg6 s ARG 1704Cb -0.12 -1.43 -0.03 0.00 0.52 0.00 0.00 34.95 33.88 3kg6 s ARG 1704CO 0.02 0.28 -0.20 -0.06 0.02 0.00 0.00 175.30 175.36 3kg6 s PHE 1705N -0.10 1.69 -0.04 -0.53 0.08 -0.25 0.04 117.98 118.87 3kg6 s PHE 1705Ca -0.00 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.65 3kg6 s PHE 1705Cb -0.10 -0.97 0.03 0.00 -0.57 0.00 0.00 43.02 41.41 3kg6 s PHE 1705CO 0.01 0.13 0.02 -1.14 -0.10 0.00 0.00 175.22 174.14 3kg6 s GLN 1706N -1.53 0.24 0.40 0.44 0.74 -0.07 -0.61 119.66 119.27 3kg6 s GLN 1706Ca 0.06 0.17 0.07 0.00 0.05 0.00 0.00 55.36 55.71 3kg6 s GLN 1706Cb -0.09 -0.58 -0.08 0.00 1.10 0.00 0.00 33.01 33.36 3kg6 s GLN 1706CO 0.03 -0.22 -0.00 -1.54 -0.55 0.00 0.00 175.29 173.00 3kg6 s SER 1707N 1.53 3.88 -0.22 6.67 1.04 0.04 -2.60 113.70 124.04 3kg6 s SER 1707Ca -0.03 -1.32 -0.01 0.00 0.48 0.00 0.00 55.95 55.07 3kg6 s SER 1707Cb -0.13 -0.40 0.06 0.00 0.10 0.00 0.00 66.02 65.66 3kg6 s SER 1707CO -0.03 -0.41 -0.00 -0.31 0.98 0.00 0.00 173.24 173.47 3kg6 s TYR 1708N -2.69 1.71 -0.07 5.02 2.02 -1.26 -1.72 117.35 120.36 3kg6 s TYR 1708Ca 0.35 -1.33 0.01 0.00 -0.37 0.00 0.00 57.07 55.73 3kg6 s TYR 1708Cb 0.08 -1.32 -0.03 0.00 -0.40 0.00 0.00 41.96 40.29 3kg6 s TYR 1708CO 0.18 -0.70 -0.08 0.42 -1.57 0.00 0.00 175.55 173.80 3kg6 s ILE 1709N 1.63 3.61 0.07 2.71 1.01 -0.41 -4.86 121.20 124.96 3kg6 s ILE 1709Ca -0.03 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 59.99 3kg6 s ILE 1709Cb -0.18 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.83 3kg6 s ILE 1709CO -0.08 0.59 0.28 -0.83 0.00 0.00 0.00 174.94 174.90 3kg6 s GLY 1710N -0.73 -0.07 0.46 6.18 0.00 -0.33 0.08 107.32 112.90 3kg6 s GLY 1710Ca 0.11 -0.20 0.28 0.00 0.00 0.00 0.00 44.72 44.91 3kg6 s GLY 1710CO 0.01 -0.41 1.73 0.00 0.00 0.00 0.00 173.10 174.43 3kg6 h ALA 1711N 2.98 2.70 0.00 3.20 0.00 -1.85 -0.29 119.26 126.01 3kg6 h ALA 1711Ca -0.33 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3kg6 h ALA 1711Cb 1.21 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kg6 h ALA 1711CO 0.49 -1.16 -0.84 0.39 0.00 0.00 0.00 179.25 178.14 3kg6 n GLU 1712N -4.49 1.31 -3.63 0.00 1.02 -1.26 -2.54 120.64 111.05 3kg6 n GLU 1712Ca 0.30 -0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.15 3kg6 n GLU 1712Cb 1.20 -1.31 -0.15 0.00 -0.02 0.00 0.00 31.44 31.15 3kg6 n GLU 1712CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3kg6 s SER 1713N -2.66 3.49 0.64 1.62 1.04 -0.12 -2.06 113.70 115.65 3kg6 s SER 1713Ca 0.06 -1.27 -0.14 0.00 0.48 0.00 0.00 55.95 55.09 3kg6 s SER 1713Cb 0.13 -0.53 -0.01 0.00 0.10 0.00 0.00 66.02 65.71 3kg6 s SER 1713CO 0.71 -0.41 1.07 -2.84 0.98 0.00 0.00 173.24 172.74 3kg6 s PRO 1714N 1.93 3.08 0.24 4.02 0.02 -1.25 -1.19 135.00 141.85 3kg6 s PRO 1714Ca 0.07 1.14 -0.05 0.00 0.02 0.00 0.00 61.00 62.18 3kg6 s PRO 1714Cb -0.17 -2.00 0.35 0.00 0.02 0.00 0.00 34.50 32.70 3kg6 s PRO 1714CO -0.27 -1.00 1.84 0.78 -0.33 0.00 0.00 177.00 178.02 3kg6 h GLY 1715N -0.07 1.27 2.00 0.52 0.00 -1.65 -2.98 103.07 102.17 3kg6 h GLY 1715Ca -0.46 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.52 3kg6 h GLY 1715CO 0.56 0.21 -0.00 0.10 0.00 0.00 0.00 176.54 177.42 3kg6 h TYR 1716N 0.90 0.00 -0.65 5.60 -0.00 -1.88 -2.48 116.97 118.46 3kg6 h TYR 1716Ca 0.38 0.00 0.09 0.00 -0.00 0.00 0.00 58.73 59.20 3kg6 h TYR 1716Cb 0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 36.92 3kg6 h TYR 1716CO -0.04 0.00 0.43 -0.07 -0.00 0.00 0.00 178.16 178.48 3kg6 h LEU 1717N 0.00 0.46 -0.81 0.10 3.38 -1.70 0.47 115.31 117.20 3kg6 h LEU 1717Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kg6 h LEU 1717Cb 0.02 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3kg6 h LEU 1717CO 0.00 0.28 0.00 -3.20 0.09 0.00 0.00 178.44 175.61 3kg6 n ASN 1718N -4.48 0.69 -0.61 -0.43 5.15 -0.93 -2.48 115.26 112.17 3kg6 n ASN 1718Ca 0.11 0.68 0.08 0.00 -0.60 0.00 0.00 54.58 54.85 3kg6 n ASN 1718Cb 0.35 -0.82 0.25 0.00 -0.53 0.00 0.00 39.78 39.02 3kg6 n ASN 1718CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3kg6 n HIS 1719N -2.28 0.36 -3.72 1.20 8.25 0.16 -4.57 115.22 114.62 3kg6 n HIS 1719Ca 0.02 -0.18 -0.30 0.00 -0.26 0.00 0.00 57.72 57.00 3kg6 n HIS 1719Cb 0.21 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.18 3kg6 n HIS 1719CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3kg6 s HIS 1720N -1.64 1.73 -0.04 4.41 5.65 -1.04 0.37 115.29 124.73 3kg6 s HIS 1720Ca 0.27 -1.86 0.05 0.00 0.25 0.00 0.00 55.06 53.77 3kg6 s HIS 1720Cb 0.14 -1.72 -0.01 0.00 -1.18 0.00 0.00 32.58 29.82 3kg6 s HIS 1720CO 0.20 -0.86 -0.19 -0.65 -0.65 0.00 0.00 174.74 172.59 3kg6 s GLN 1721N 1.37 1.93 -0.17 2.88 -0.21 -0.80 -2.97 119.66 121.69 3kg6 s GLN 1721Ca 0.12 -0.68 0.01 0.00 0.02 0.00 0.00 55.36 54.82 3kg6 s GLN 1721Cb -0.19 -1.68 0.02 0.00 1.00 0.00 0.00 33.01 32.16 3kg6 s GLN 1721CO -0.19 0.29 -0.18 0.08 -2.12 0.00 0.00 175.29 173.17 3kg6 s VAL 1722N -0.06 1.90 -1.52 1.09 1.01 0.34 -0.47 120.40 122.69 3kg6 s VAL 1722Ca -0.02 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 60.96 3kg6 s VAL 1722Cb -0.12 -1.75 0.08 0.00 0.00 0.00 0.00 36.38 34.60 3kg6 s VAL 1722CO 0.02 0.49 1.00 0.49 0.00 0.00 0.00 175.10 177.10 3kg6 n PHE 1723N 4.66 -2.34 -1.01 5.22 3.72 0.18 -2.03 117.46 125.86 3kg6 n PHE 1723Ca -0.19 0.91 -0.00 0.00 -0.05 0.00 0.00 57.45 58.12 3kg6 n PHE 1723Cb 0.50 -4.06 -0.00 0.00 -0.94 0.00 0.00 39.48 34.98 3kg6 n PHE 1723CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kg6 n GLY 1724N -1.72 0.39 3.37 1.37 0.00 -1.26 -5.02 105.19 102.33 3kg6 n GLY 1724Ca 0.04 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3kg6 n GLY 1724CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kg6 s LYS 1725N -0.66 2.25 -0.32 1.61 1.02 -0.86 -5.08 119.74 117.70 3kg6 s LYS 1725Ca 0.00 -0.85 -0.29 0.00 0.02 0.00 0.00 55.97 54.86 3kg6 s LYS 1725Cb 0.00 -2.16 -0.00 0.00 -0.52 0.00 0.00 37.83 35.15 3kg6 s LYS 1725CO 0.00 0.58 1.44 0.08 -0.92 0.00 0.00 175.35 176.54 3kg6 s VAL 1726N -0.65 3.91 -0.18 3.17 1.01 -1.26 -0.50 120.40 125.90 3kg6 s VAL 1726Ca 0.10 0.99 -0.05 0.00 0.00 0.00 0.00 61.98 63.03 3kg6 s VAL 1726Cb -0.10 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 3kg6 s VAL 1726CO -0.00 -0.53 -0.01 -0.76 0.00 0.00 0.00 175.10 173.80 3kg6 s LEU 1727N 5.10 3.35 -0.01 3.92 1.02 -1.16 -0.13 118.68 130.77 3kg6 s LEU 1727Ca 0.63 -0.12 -0.30 0.00 0.02 0.00 0.00 54.13 54.36 3kg6 s LEU 1727Cb -0.18 -1.83 -0.07 0.00 0.02 0.00 0.00 46.19 44.13 3kg6 s LEU 1727CO 0.28 0.13 1.80 0.12 0.02 0.00 0.00 176.35 178.71 3kg6 s PHE 1728N 0.59 1.66 0.42 0.29 5.36 0.16 -4.82 117.98 121.64 3kg6 s PHE 1728Ca -0.01 -0.11 -0.26 0.00 -0.96 0.00 0.00 56.93 55.58 3kg6 s PHE 1728Cb -0.14 -4.07 -0.09 0.00 -0.34 0.00 0.00 43.02 38.38 3kg6 s PHE 1728CO 0.02 -4.67 1.40 -1.25 -1.46 0.00 0.00 175.22 169.26 3kg6 s PRO 1729N 4.18 3.88 0.40 10.12 0.04 -1.26 -4.62 135.00 147.75 3kg6 s PRO 1729Ca 0.80 2.37 0.07 0.00 0.04 0.00 0.00 61.00 64.29 3kg6 s PRO 1729Cb -0.38 -2.77 0.83 0.00 0.04 0.00 0.00 34.50 32.23 3kg6 s PRO 1729CO 0.35 -0.64 2.02 0.66 0.04 0.00 0.00 177.00 179.43 3kg6 h SER 1730N 2.61 0.43 0.31 6.66 4.64 -1.96 0.05 113.55 126.28 3kg6 h SER 1730Ca -0.50 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3kg6 h SER 1730Cb 1.25 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3kg6 h SER 1730CO 0.62 0.36 -0.02 0.71 -0.87 0.00 0.00 176.83 177.64 3kg6 h THR 1731N 0.49 0.12 -0.28 2.95 1.35 -1.91 -2.03 112.91 113.61 3kg6 h THR 1731Ca 0.13 -0.21 -0.08 0.00 -0.55 0.00 0.00 66.41 65.70 3kg6 h THR 1731Cb 0.04 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 3kg6 h THR 1731CO -0.02 0.02 -0.16 1.23 -0.25 0.00 0.00 175.52 176.34 3kg6 h GLY 1732N 0.63 0.52 1.17 5.82 0.00 -1.28 -1.57 103.07 108.36 3kg6 h GLY 1732Ca -0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 46.80 3kg6 h GLY 1732CO 0.00 0.35 -0.33 -0.97 0.00 0.00 0.00 176.54 175.59 3kg6 h TYR 1733N 0.44 1.09 -0.58 5.60 0.05 -1.45 -0.82 116.97 121.31 3kg6 h TYR 1733Ca 0.08 -0.31 -0.04 0.00 0.05 0.00 0.00 58.73 58.52 3kg6 h TYR 1733Cb 0.54 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 3kg6 h TYR 1733CO 0.02 1.12 0.22 -0.07 -1.05 0.00 0.00 178.16 178.40 3kg6 h LEU 1734N 0.77 0.81 0.06 3.88 3.38 -1.52 -0.64 115.31 122.04 3kg6 h LEU 1734Ca 0.08 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3kg6 h LEU 1734Cb 0.92 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 3kg6 h LEU 1734CO 0.09 0.77 -0.25 -0.08 0.09 0.00 0.00 178.44 179.05 3kg6 h GLU 1735N 0.80 -0.41 -0.51 1.13 4.22 -1.17 -0.78 114.58 117.86 3kg6 h GLU 1735Ca 0.19 0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.72 3kg6 h GLU 1735Cb 0.22 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 3kg6 h GLU 1735CO -0.01 -0.27 0.21 0.82 -2.18 0.00 0.00 179.01 177.57 3kg6 h ILE 1736N -0.43 0.88 -0.08 2.32 2.04 -0.85 0.23 117.51 121.62 3kg6 h ILE 1736Ca 0.05 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 3kg6 h ILE 1736Cb 0.48 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3kg6 h ILE 1736CO -0.19 0.08 0.03 0.00 0.00 0.00 0.00 178.15 178.07 3kg6 h ALA 1737N 1.31 0.11 -0.94 1.87 0.00 -1.00 0.60 119.26 121.21 3kg6 h ALA 1737Ca 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kg6 h ALA 1737Cb 0.21 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3kg6 h ALA 1737CO -0.21 -0.30 0.59 0.00 0.00 0.00 0.00 179.25 179.32 3kg6 h ALA 1738N 0.87 1.27 -0.41 0.00 0.00 -0.78 0.16 119.26 120.36 3kg6 h ALA 1738Ca 0.03 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3kg6 h ALA 1738Cb 0.17 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3kg6 h ALA 1738CO -0.00 0.65 -0.23 1.03 0.00 0.00 0.00 179.25 180.70 3kg6 h SER 1739N 1.29 0.91 -0.69 0.00 0.87 -0.34 -0.84 113.55 114.76 3kg6 h SER 1739Ca 0.34 -0.41 -0.04 0.00 -1.23 0.00 0.00 61.79 60.45 3kg6 h SER 1739Cb -0.09 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.59 3kg6 h SER 1739CO -0.07 1.13 0.28 0.00 -0.53 0.00 0.00 176.83 177.64 3kg6 h ALA 1740N 0.82 0.89 -0.66 6.23 0.00 -0.54 -1.95 119.26 124.06 3kg6 h ALA 1740Ca 0.09 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3kg6 h ALA 1740Cb 0.79 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3kg6 h ALA 1740CO 0.07 0.51 0.37 0.78 0.00 0.00 0.00 179.25 180.97 3kg6 h GLY 1741N 0.98 0.96 1.83 0.00 0.00 -0.35 -1.73 103.07 104.75 3kg6 h GLY 1741Ca 0.23 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 3kg6 h GLY 1741CO -0.02 0.16 -0.57 1.70 0.00 0.00 0.00 176.54 177.82 3kg6 h LYS 1742N 0.69 0.18 -0.09 4.80 1.63 -1.00 0.80 116.57 123.56 3kg6 h LYS 1742Ca 0.29 -0.12 -0.11 0.00 -0.85 0.00 0.00 60.65 59.87 3kg6 h LYS 1742Cb 0.17 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 3kg6 h LYS 1742CO -0.17 0.70 -0.42 1.03 -3.45 0.00 0.00 179.45 177.14 3kg6 h SER 1743N 0.14 0.22 0.07 4.20 0.87 -1.03 -3.32 113.55 114.69 3kg6 h SER 1743Ca -0.00 -0.09 -0.36 0.00 -1.23 0.00 0.00 61.79 60.10 3kg6 h SER 1743Cb 1.04 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.88 3kg6 h SER 1743CO 0.08 0.62 -2.30 0.18 -0.53 0.00 0.00 176.83 174.88 3kg6 n LEU 1744N -4.02 0.78 -4.03 2.23 4.77 -0.68 -4.63 117.00 111.42 3kg6 n LEU 1744Ca -0.02 0.04 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 3kg6 n LEU 1744Cb 0.48 0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 3kg6 n LEU 1744CO 0.42 0.58 0.08 -0.36 -1.33 0.00 0.00 177.39 176.77 3kg6 s PHE 1745N -2.51 3.54 0.40 -1.77 2.99 0.26 -4.88 117.98 116.00 3kg6 s PHE 1745Ca -0.14 -3.02 0.13 0.00 0.00 0.00 0.00 56.93 53.90 3kg6 s PHE 1745Cb 0.07 -3.05 0.82 0.00 0.00 0.00 0.00 43.02 40.86 3kg6 s PHE 1745CO 0.78 -0.73 1.89 1.15 -0.00 0.00 0.00 175.22 178.31 3kg6 h THR 1746N 4.77 1.21 -3.05 0.64 2.02 -1.82 -3.42 112.91 113.27 3kg6 h THR 1746Ca 0.06 -1.01 -0.57 0.00 0.77 0.00 0.00 66.41 65.66 3kg6 h THR 1746Cb 0.86 1.52 0.18 0.00 -1.74 0.00 0.00 68.15 68.97 3kg6 h THR 1746CO 0.75 0.29 -0.39 -1.54 0.37 0.00 0.00 175.52 175.00 3kg6 n SER 1747N -4.19 -1.08 -1.69 4.18 3.41 -1.26 -4.83 113.62 108.16 3kg6 n SER 1747Ca -0.02 0.69 -0.03 0.00 -0.26 0.00 0.00 58.87 59.25 3kg6 n SER 1747Cb 0.34 -1.19 -0.05 0.00 -0.26 0.00 0.00 64.21 63.05 3kg6 n SER 1747CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kg6 n GLN 1748N -0.26 1.21 -4.01 4.33 -0.00 -1.26 -4.81 117.38 112.57 3kg6 n GLN 1748Ca 0.11 -0.28 -0.26 0.00 -0.00 0.00 0.00 57.00 56.57 3kg6 n GLN 1748Cb 0.48 -1.32 -0.04 0.00 -0.00 0.00 0.00 30.24 29.37 3kg6 n GLN 1748CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 3kg6 s GLU 1749N 0.45 3.18 0.06 2.61 2.02 -1.26 -4.61 118.70 121.15 3kg6 s GLU 1749Ca 0.19 -0.74 -0.31 0.00 0.02 0.00 0.00 54.97 54.13 3kg6 s GLU 1749Cb 0.09 -2.81 -0.06 0.00 0.10 0.00 0.00 34.13 31.46 3kg6 s GLU 1749CO 0.00 0.50 1.23 -1.14 0.02 0.00 0.00 175.26 175.87 3kg6 s GLN 1750N -3.24 4.41 -0.16 1.61 2.00 0.13 -4.82 119.66 119.58 3kg6 s GLN 1750Ca 0.33 1.82 -0.18 0.00 -2.00 0.00 0.00 55.36 55.33 3kg6 s GLN 1750Cb -0.10 -3.35 -0.04 0.00 0.80 0.00 0.00 33.01 30.32 3kg6 s GLN 1750CO 0.26 -0.30 0.48 0.08 -0.50 0.00 0.00 175.29 175.30 3kg6 s VAL 1751N 1.16 5.16 -0.13 1.34 1.01 -1.26 -0.01 120.40 127.66 3kg6 s VAL 1751Ca 0.60 0.91 0.01 0.00 0.00 0.00 0.00 61.98 63.50 3kg6 s VAL 1751Cb -0.30 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 3kg6 s VAL 1751CO 0.29 0.26 -0.17 -0.69 0.00 0.00 0.00 175.10 174.79 3kg6 s VAL 1752N 1.10 2.62 -0.22 2.92 1.01 0.35 -4.45 120.40 123.72 3kg6 s VAL 1752Ca 0.24 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 3kg6 s VAL 1752Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3kg6 s VAL 1752CO 0.09 0.53 0.10 -0.69 0.00 0.00 0.00 175.10 175.13 3kg6 s VAL 1753N 0.52 4.86 0.13 2.92 1.01 -0.40 -1.83 120.40 127.61 3kg6 s VAL 1753Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 3kg6 s VAL 1753Cb -0.16 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3kg6 s VAL 1753CO 0.04 0.39 0.07 -0.94 0.00 0.00 0.00 175.10 174.66 3kg6 s SER 1754N 0.93 0.29 -1.46 3.32 1.04 0.37 0.15 113.70 118.35 3kg6 s SER 1754Ca 0.05 -1.17 -0.02 0.00 0.48 0.00 0.00 55.95 55.29 3kg6 s SER 1754Cb -0.14 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.31 3kg6 s SER 1754CO 0.03 -0.74 0.39 0.47 0.98 0.00 0.00 173.24 174.37 3kg6 n ASP 1755N -0.10 -0.40 -4.73 7.02 8.00 0.54 -0.51 116.55 126.38 3kg6 n ASP 1755Ca -0.06 -1.05 -0.41 0.00 0.71 0.00 0.00 54.79 53.98 3kg6 n ASP 1755Cb 0.63 -2.78 -0.04 0.00 -0.02 0.00 0.00 41.12 38.91 3kg6 n ASP 1755CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kg6 s VAL 1756N -3.96 4.81 -0.24 2.53 1.01 0.27 -4.18 120.40 120.64 3kg6 s VAL 1756Ca 0.08 1.76 -0.01 0.00 0.00 0.00 0.00 61.98 63.81 3kg6 s VAL 1756Cb -0.04 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.19 3kg6 s VAL 1756CO 0.91 0.28 -0.08 -1.81 0.00 0.00 0.00 175.10 174.40 3kg6 s ASP 1757N 0.45 4.22 -0.56 3.32 1.01 0.89 -1.99 116.67 124.00 3kg6 s ASP 1757Ca 0.43 -0.93 -0.25 0.00 0.71 0.00 0.00 52.55 52.51 3kg6 s ASP 1757Cb -0.20 -1.63 0.04 0.00 1.01 0.00 0.00 42.92 42.14 3kg6 s ASP 1757CO 0.24 -0.13 1.00 -0.63 0.21 0.00 0.00 175.17 175.86 3kg6 s ILE 1758N 1.29 4.30 -0.12 0.77 1.09 -0.41 -1.90 121.20 126.22 3kg6 s ILE 1758Ca -0.01 0.39 0.14 0.00 -1.10 0.00 0.00 60.65 60.07 3kg6 s ILE 1758Cb -0.17 -4.59 -0.24 0.00 -1.06 0.00 0.00 42.46 36.41 3kg6 s ILE 1758CO -0.05 -1.18 0.39 0.18 -0.10 0.00 0.00 174.94 174.17 3kg6 n LEU 1759N 7.70 0.56 -3.64 2.97 4.77 0.16 -4.70 117.00 124.82 3kg6 n LEU 1759Ca 0.03 0.23 -0.07 0.00 -0.03 0.00 0.00 56.01 56.16 3kg6 n LEU 1759Cb 0.48 0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.77 3kg6 n LEU 1759CO 0.65 0.45 0.55 -1.58 -1.33 0.00 0.00 177.39 176.14 3kg6 s GLN 1760N -2.55 0.58 0.42 3.23 2.00 -1.11 -5.02 119.66 117.22 3kg6 s GLN 1760Ca -0.08 0.87 -0.26 0.00 -2.00 0.00 0.00 55.36 53.90 3kg6 s GLN 1760Cb 0.07 0.19 -0.08 0.00 0.80 0.00 0.00 33.01 33.98 3kg6 s GLN 1760CO 0.82 -0.10 1.35 -1.12 -0.50 0.00 0.00 175.29 175.74 3kg6 s SER 1761N 1.02 6.14 -0.43 6.67 0.01 -1.26 -4.62 113.70 121.22 3kg6 s SER 1761Ca -0.05 2.75 -0.09 0.00 1.31 0.00 0.00 55.95 59.86 3kg6 s SER 1761Cb -0.05 -2.64 0.09 0.00 0.21 0.00 0.00 66.02 63.63 3kg6 s SER 1761CO -0.12 -0.98 0.28 -0.22 0.41 0.00 0.00 173.24 172.62 3kg6 s LEU 1762N -2.56 5.31 -0.14 2.44 2.96 -1.26 -5.03 118.68 120.39 3kg6 s LEU 1762Ca 0.59 -1.62 -0.25 0.00 -0.22 0.00 0.00 54.13 52.63 3kg6 s LEU 1762Cb -0.40 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.27 3kg6 s LEU 1762CO 0.51 -0.58 0.78 -0.69 -1.32 0.00 0.00 176.35 175.06 3kg6 s VAL 1763N 1.41 4.94 -0.49 1.68 1.01 -1.26 -0.66 120.40 127.02 3kg6 s VAL 1763Ca 0.04 1.56 -0.13 0.00 0.00 0.00 0.00 61.98 63.45 3kg6 s VAL 1763Cb -0.24 -4.10 0.11 0.00 0.00 0.00 0.00 36.38 32.15 3kg6 s VAL 1763CO 0.01 0.10 0.40 -0.63 0.00 0.00 0.00 175.10 174.98 3kg6 s ILE 1764N 1.73 4.77 0.76 2.22 1.01 0.82 -4.99 121.20 127.52 3kg6 s ILE 1764Ca 0.38 -1.48 -0.14 0.00 0.00 0.00 0.00 60.65 59.40 3kg6 s ILE 1764Cb -0.17 -4.02 0.05 0.00 0.01 0.00 0.00 42.46 38.34 3kg6 s ILE 1764CO 0.14 -0.73 1.21 -2.84 0.00 0.00 0.00 174.94 172.72 3kg6 s PRO 1765N 1.51 1.96 0.27 2.79 0.02 -1.26 -4.16 135.00 136.14 3kg6 s PRO 1765Ca 0.04 1.76 -0.00 0.00 0.02 0.00 0.00 61.00 62.81 3kg6 s PRO 1765Cb -0.27 -1.81 0.51 0.00 0.02 0.00 0.00 34.50 32.95 3kg6 s PRO 1765CO 0.02 -1.97 1.82 1.49 -0.33 0.00 0.00 177.00 178.03 3kg6 h GLU 1766N -0.51 0.85 -0.40 5.54 4.81 -1.97 -2.53 114.58 120.37 3kg6 h GLU 1766Ca -0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3kg6 h GLU 1766Cb 1.30 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3kg6 h GLU 1766CO 0.48 0.56 0.00 -2.37 -0.73 0.00 0.00 179.01 176.96 3kg6 n THR 1767N -4.69 0.96 -4.28 0.32 5.66 -1.26 -4.84 114.28 106.14 3kg6 n THR 1767Ca 0.17 -0.98 -0.26 0.00 -3.05 0.00 0.00 64.05 59.93 3kg6 n THR 1767Cb 0.35 0.53 -0.09 0.00 -1.55 0.00 0.00 70.33 69.58 3kg6 n THR 1767CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3kg6 s GLU 1768N -1.01 2.13 -0.14 1.09 2.02 -0.95 -5.12 118.70 116.72 3kg6 s GLU 1768Ca 0.27 -1.26 -0.02 0.00 0.02 0.00 0.00 54.97 53.98 3kg6 s GLU 1768Cb 0.14 -2.19 -0.02 0.00 0.10 0.00 0.00 34.13 32.16 3kg6 s GLU 1768CO 0.19 0.43 -0.08 0.42 0.02 0.00 0.00 175.26 176.24 3kg6 s ILE 1769N -1.77 3.55 -0.21 -1.63 1.01 -1.26 -4.54 121.20 116.35 3kg6 s ILE 1769Ca 0.26 -0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.33 3kg6 s ILE 1769Cb -0.09 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 3kg6 s ILE 1769CO 0.16 0.51 0.12 -0.54 0.00 0.00 0.00 174.94 175.19 3kg6 s LYS 1770N 0.27 4.05 -0.16 2.79 -0.14 0.11 -4.91 119.74 121.75 3kg6 s LYS 1770Ca -0.06 -0.29 -0.29 0.00 -1.36 0.00 0.00 55.97 53.97 3kg6 s LYS 1770Cb -0.15 -3.40 -0.01 0.00 -1.68 0.00 0.00 37.83 32.59 3kg6 s LYS 1770CO 0.04 0.17 1.15 0.99 -0.76 0.00 0.00 175.35 176.94 3kg6 s THR 1771N 0.72 4.46 -0.20 2.17 2.01 -1.26 -1.29 115.64 122.25 3kg6 s THR 1771Ca 0.06 1.76 -0.01 0.00 0.31 0.00 0.00 61.69 63.82 3kg6 s THR 1771Cb -0.13 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.26 3kg6 s THR 1771CO 0.02 -0.12 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.01 3kg6 s VAL 1772N 3.05 2.59 -0.19 3.82 1.01 -0.70 -4.07 120.40 125.91 3kg6 s VAL 1772Ca 0.51 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 3kg6 s VAL 1772Cb -0.20 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.05 3kg6 s VAL 1772CO 0.13 0.47 -0.15 -1.58 0.00 0.00 0.00 175.10 173.98 3kg6 s GLN 1773N 1.36 3.13 -0.21 2.72 0.74 -0.60 -0.78 119.66 126.02 3kg6 s GLN 1773Ca 0.05 -0.76 -0.09 0.00 0.05 0.00 0.00 55.36 54.61 3kg6 s GLN 1773Cb -0.14 -2.71 -0.04 0.00 1.10 0.00 0.00 33.01 31.22 3kg6 s GLN 1773CO -0.09 -0.18 0.10 0.99 -0.55 0.00 0.00 175.29 175.56 3kg6 s THR 1774N 1.29 5.00 -0.20 -0.34 2.01 0.21 -0.55 115.64 123.07 3kg6 s THR 1774Ca 0.04 0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.07 3kg6 s THR 1774Cb -0.14 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.09 3kg6 s THR 1774CO -0.09 0.41 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.46 3kg6 s VAL 1775N 0.67 2.84 -0.29 3.82 1.01 0.64 -1.09 120.40 128.00 3kg6 s VAL 1775Ca 0.05 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 3kg6 s VAL 1775Cb -0.13 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.04 3kg6 s VAL 1775CO 0.01 0.47 0.00 -0.69 0.00 0.00 0.00 175.10 174.90 3kg6 s VAL 1776N 1.34 3.08 -0.09 2.92 1.01 0.46 -0.84 120.40 128.28 3kg6 s VAL 1776Ca 0.04 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.77 3kg6 s VAL 1776Cb -0.14 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 3kg6 s VAL 1776CO -0.07 -0.05 -0.09 -0.44 0.00 0.00 0.00 175.10 174.46 3kg6 s SER 1777N 1.29 4.42 0.12 3.32 0.01 0.50 -0.82 113.70 122.54 3kg6 s SER 1777Ca -0.04 -0.14 -0.31 0.00 1.31 0.00 0.00 55.95 56.78 3kg6 s SER 1777Cb -0.19 -1.32 -0.07 0.00 0.21 0.00 0.00 66.02 64.64 3kg6 s SER 1777CO -0.01 0.28 1.30 0.12 0.41 0.00 0.00 173.24 175.34 3kg6 s PHE 1778N -0.32 3.32 0.17 2.43 5.36 -0.41 -0.68 117.98 127.85 3kg6 s PHE 1778Ca 0.04 1.15 0.07 0.00 -0.96 0.00 0.00 56.93 57.23 3kg6 s PHE 1778Cb -0.13 -3.56 -0.04 0.00 -0.34 0.00 0.00 43.02 38.95 3kg6 s PHE 1778CO 0.02 -1.85 0.01 0.00 -1.46 0.00 0.00 175.22 171.95 3kg6 s ALA 1779N 0.81 3.24 -1.40 11.12 0.00 0.20 -4.90 121.76 130.83 3kg6 s ALA 1779Ca 0.60 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3kg6 s ALA 1779Cb -0.34 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.74 3kg6 s ALA 1779CO 0.32 0.50 0.77 -1.91 0.00 0.00 0.00 175.76 175.44 3kg6 n GLU 1780N -0.08 0.00 -0.44 0.00 2.13 -1.26 -1.38 120.64 119.61 3kg6 n GLU 1780Ca -0.10 0.27 0.10 0.00 0.66 0.00 0.00 57.16 58.09 3kg6 n GLU 1780Cb 0.55 -1.51 0.31 0.00 0.27 0.00 0.00 31.44 31.06 3kg6 n GLU 1780CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3kg6 n ASN 1781N -1.27 3.89 -0.62 4.31 5.03 -1.26 -4.91 115.26 120.44 3kg6 n ASN 1781Ca 0.00 -2.18 -0.08 0.00 0.87 0.00 0.00 54.58 53.19 3kg6 n ASN 1781Cb 0.01 -0.49 -0.03 0.00 -1.02 0.00 0.00 39.78 38.24 3kg6 n ASN 1781CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3kg6 n ASN 1782N 1.24 -5.53 -4.96 6.41 4.13 -0.48 -4.99 115.26 111.07 3kg6 n ASN 1782Ca 0.23 0.20 -0.21 0.00 1.68 0.00 0.00 54.58 56.47 3kg6 n ASN 1782Cb 0.67 -3.74 -0.02 0.00 -1.54 0.00 0.00 39.78 35.15 3kg6 n ASN 1782CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3kg6 s SER 1783N -2.34 6.29 -0.07 6.41 1.04 -1.25 -4.88 113.70 118.91 3kg6 s SER 1783Ca 0.00 0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.52 3kg6 s SER 1783Cb 0.00 -1.85 -0.02 0.00 0.10 0.00 0.00 66.02 64.25 3kg6 s SER 1783CO 0.00 -0.06 -0.15 -0.31 0.98 0.00 0.00 173.24 173.70 3kg6 s TYR 1784N -1.97 2.71 -0.13 5.02 1.51 0.12 -0.63 117.35 123.98 3kg6 s TYR 1784Ca 0.34 -0.30 -0.14 0.00 -1.01 0.00 0.00 57.07 55.96 3kg6 s TYR 1784Cb -0.09 -1.67 -0.05 0.00 -0.11 0.00 0.00 41.96 40.04 3kg6 s TYR 1784CO 0.29 0.07 0.34 -1.59 -1.11 0.00 0.00 175.55 173.55 3kg6 s LYS 1785N -0.46 4.18 0.03 -0.62 -2.85 0.14 0.34 119.74 120.50 3kg6 s LYS 1785Ca 0.06 0.20 0.02 0.00 -1.00 0.00 0.00 55.97 55.25 3kg6 s LYS 1785Cb -0.12 -3.39 -0.04 0.00 -2.06 0.00 0.00 37.83 32.23 3kg6 s LYS 1785CO 0.02 0.32 0.02 -0.59 0.10 0.00 0.00 175.35 175.22 3kg6 s PHE 1786N 0.20 3.10 -0.02 1.78 -0.71 0.05 -0.37 117.98 122.01 3kg6 s PHE 1786Ca 0.19 0.07 0.00 0.00 -1.04 0.00 0.00 56.93 56.16 3kg6 s PHE 1786Cb -0.14 -1.64 0.02 0.00 -1.21 0.00 0.00 43.02 40.05 3kg6 s PHE 1786CO 0.06 0.49 0.02 -1.21 -1.34 0.00 0.00 175.22 173.24 3kg6 s GLU 1787N -1.87 -0.00 -0.23 1.99 2.02 -0.02 -1.58 118.70 119.00 3kg6 s GLU 1787Ca 0.23 0.14 -0.02 0.00 0.02 0.00 0.00 54.97 55.33 3kg6 s GLU 1787Cb -0.12 -0.22 0.01 0.00 0.10 0.00 0.00 34.13 33.91 3kg6 s GLU 1787CO 0.14 -0.13 -0.07 0.42 0.02 0.00 0.00 175.26 175.65 3kg6 s ILE 1788N 0.84 2.96 0.28 -1.63 1.01 0.08 -0.26 121.20 124.47 3kg6 s ILE 1788Ca -0.07 -0.84 0.10 0.00 0.00 0.00 0.00 60.65 59.84 3kg6 s ILE 1788Cb -0.10 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 3kg6 s ILE 1788CO -0.02 0.31 -0.04 -0.36 0.00 0.00 0.00 174.94 174.82 3kg6 s PHE 1789N 1.37 2.60 -0.05 3.97 0.40 0.29 -1.28 117.98 125.28 3kg6 s PHE 1789Ca 0.03 -0.26 -0.11 0.00 -0.60 0.00 0.00 56.93 55.98 3kg6 s PHE 1789Cb -0.15 -1.18 0.02 0.00 0.51 0.00 0.00 43.02 42.22 3kg6 s PHE 1789CO -0.05 0.63 0.27 0.45 0.70 0.00 0.00 175.22 177.22 3kg6 s SER 1790N -3.65 -0.21 0.31 1.36 0.15 -0.23 -1.56 113.70 109.88 3kg6 s SER 1790Ca 0.31 0.27 -0.29 0.00 0.70 0.00 0.00 55.95 56.94 3kg6 s SER 1790Cb -0.06 0.43 -0.10 0.00 -1.71 0.00 0.00 66.02 64.58 3kg6 s SER 1790CO 0.19 -0.28 1.28 -2.84 1.20 0.00 0.00 173.24 172.80 3kg6 s PRO 1791N -0.66 4.39 0.39 5.44 0.02 -1.26 0.17 135.00 143.49 3kg6 s PRO 1791Ca -0.08 2.16 -0.25 0.00 0.02 0.00 0.00 61.00 62.85 3kg6 s PRO 1791Cb -0.04 -3.09 -0.09 0.00 0.02 0.00 0.00 34.50 31.30 3kg6 s PRO 1791CO 0.02 -0.15 1.10 -1.54 -0.33 0.00 0.00 177.00 176.10 3kg6 s SER 1792N -0.46 6.73 0.22 2.53 1.04 -0.89 -4.76 113.70 118.11 3kg6 s SER 1792Ca 0.49 2.17 0.10 0.00 0.48 0.00 0.00 55.95 59.19 3kg6 s SER 1792Cb -0.39 -2.60 0.15 0.00 0.10 0.00 0.00 66.02 63.29 3kg6 s SER 1792CO 0.50 -0.52 1.49 -0.33 0.98 0.00 0.00 173.24 175.36 3kg6 h GLU 1793N 2.70 0.00 0.45 4.02 5.08 -1.94 -3.47 114.58 121.41 3kg6 h GLU 1793Ca -0.48 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 3kg6 h GLU 1793Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3kg6 h GLU 1793CO 0.63 0.75 -0.22 0.78 -1.00 0.00 0.00 179.01 179.95 3kg6 h GLY 1794N 2.33 -0.63 0.00 -3.84 0.00 -1.98 -3.54 103.07 95.42 3kg6 h GLY 1794Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3kg6 h GLY 1794CO 0.10 -0.23 0.00 -1.30 0.00 0.00 0.00 176.54 175.11 3kg6 n THR 1799N -4.30 0.00 -1.86 4.70 -2.24 -1.26 -5.17 114.28 104.15 3kg6 n THR 1799Ca -0.08 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 3kg6 n THR 1799Cb 0.24 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 3kg6 n THR 1799CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3kg6 s PRO 1800N -1.34 4.17 -0.19 -0.78 0.02 -1.26 -4.96 135.00 130.66 3kg6 s PRO 1800Ca 0.00 2.39 -0.09 0.00 0.02 0.00 0.00 61.00 63.32 3kg6 s PRO 1800Cb 0.00 -3.94 -0.05 0.00 0.02 0.00 0.00 34.50 30.54 3kg6 s PRO 1800CO 0.00 -0.86 0.13 -0.65 -0.33 0.00 0.00 177.00 175.29 3kg6 s GLN 1801N 3.79 4.05 0.07 5.54 -1.52 -1.26 -5.09 119.66 125.23 3kg6 s GLN 1801Ca 0.79 -0.21 0.06 0.00 -1.95 0.00 0.00 55.36 54.05 3kg6 s GLN 1801Cb -0.39 -3.36 -0.04 0.00 -0.22 0.00 0.00 33.01 29.00 3kg6 s GLN 1801CO 0.35 0.38 -0.11 -1.58 -0.25 0.00 0.00 175.29 174.07 3kg6 s TRP 1802N 0.13 2.72 -0.19 0.91 0.52 -1.26 -2.09 118.94 119.67 3kg6 s TRP 1802Ca 0.09 -0.16 -0.06 0.00 0.02 0.00 0.00 56.10 55.99 3kg6 s TRP 1802Cb -0.11 -1.47 -0.03 0.00 -1.15 0.00 0.00 33.47 30.71 3kg6 s TRP 1802CO -0.01 0.38 0.02 0.08 0.02 0.00 0.00 176.95 177.44 3kg6 s VAL 1803N -1.11 4.25 -0.39 4.03 1.01 0.44 -4.81 120.40 123.83 3kg6 s VAL 1803Ca 0.19 -0.22 -0.24 0.00 0.00 0.00 0.00 61.98 61.71 3kg6 s VAL 1803Cb -0.11 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.37 3kg6 s VAL 1803CO 0.10 0.44 0.84 -0.22 0.00 0.00 0.00 175.10 176.26 3kg6 s LEU 1804N 0.77 4.09 -0.17 3.92 2.96 -1.26 -1.07 118.68 127.93 3kg6 s LEU 1804Ca 0.01 0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 54.17 3kg6 s LEU 1804Cb -0.14 -3.10 -0.23 0.00 0.50 0.00 0.00 46.19 43.22 3kg6 s LEU 1804CO 0.02 -0.83 0.20 1.41 -1.32 0.00 0.00 176.35 175.82 3kg6 n HIS 1805N 6.66 0.93 -3.87 5.38 8.25 -0.40 -4.36 115.22 127.80 3kg6 n HIS 1805Ca 0.04 0.22 -0.11 0.00 -0.26 0.00 0.00 57.72 57.62 3kg6 n HIS 1805Cb 0.48 -1.12 -0.10 0.00 1.12 0.00 0.00 29.99 30.38 3kg6 n HIS 1805CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kg6 s ALA 1806N -2.52 -0.31 0.05 -1.41 0.00 -1.20 0.39 121.76 116.76 3kg6 s ALA 1806Ca -0.26 -0.19 -0.15 0.00 0.00 0.00 0.00 51.96 51.35 3kg6 s ALA 1806Cb 0.07 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.36 3kg6 s ALA 1806CO 0.70 -0.24 0.34 1.14 0.00 0.00 0.00 175.76 177.70 3kg6 s GLN 1807N -1.65 0.87 0.00 0.00 -2.07 -0.80 -0.74 119.66 115.27 3kg6 s GLN 1807Ca -0.13 -0.50 0.00 0.00 -1.82 0.00 0.00 55.36 52.91 3kg6 s GLN 1807Cb -0.06 0.38 0.00 0.00 -1.09 0.00 0.00 33.01 32.24 3kg6 s GLN 1807CO 0.00 -0.29 0.00 0.41 -1.32 0.00 0.00 175.29 174.09 3kg6 n GLY 1808N 0.44 -0.72 3.12 2.60 0.00 -0.61 -0.08 105.19 109.94 3kg6 n GLY 1808Ca -0.18 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 3kg6 n GLY 1808CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kg6 s LYS 1809N -0.09 0.81 -0.08 1.61 1.02 0.34 -0.77 119.74 122.58 3kg6 s LYS 1809Ca 0.00 -0.75 0.02 0.00 0.02 0.00 0.00 55.97 55.26 3kg6 s LYS 1809Cb 0.00 -0.78 0.02 0.00 -0.52 0.00 0.00 37.83 36.55 3kg6 s LYS 1809CO 0.00 0.19 -0.12 0.42 -0.92 0.00 0.00 175.35 174.92 3kg6 s ILE 1810N -0.96 1.17 0.30 2.17 1.01 0.15 -0.47 121.20 124.57 3kg6 s ILE 1810Ca -0.01 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.20 3kg6 s ILE 1810Cb -0.08 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 3kg6 s ILE 1810CO 0.01 0.37 0.30 -0.72 0.00 0.00 0.00 174.94 174.90 3kg6 s TYR 1811N 0.87 1.44 0.22 3.97 1.13 -0.76 -0.70 117.35 123.51 3kg6 s TYR 1811Ca -0.11 -1.50 0.10 0.00 -1.41 0.00 0.00 57.07 54.16 3kg6 s TYR 1811Cb -0.15 -0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 40.15 3kg6 s TYR 1811CO 0.01 -0.89 -0.15 0.95 -2.51 0.00 0.00 175.55 172.97 3kg6 s THR 1812N -3.53 2.84 0.12 -3.49 -4.23 -1.26 -0.50 115.64 105.59 3kg6 s THR 1812Ca 0.38 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.94 3kg6 s THR 1812Cb 0.03 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 3kg6 s THR 1812CO 0.22 -0.21 -0.03 -1.61 -0.54 0.00 0.00 174.62 172.46 3kg6 s GLU 1813N -3.04 0.91 0.38 3.99 2.02 0.98 -4.94 118.70 118.99 3kg6 s GLU 1813Ca 0.26 -1.39 -0.28 0.00 0.02 0.00 0.00 54.97 53.57 3kg6 s GLU 1813Cb -0.07 -0.14 -0.10 0.00 0.10 0.00 0.00 34.13 33.91 3kg6 s GLU 1813CO 0.14 -0.08 1.42 -2.14 0.02 0.00 0.00 175.26 174.62 3kg6 s PRO 1814N -3.89 4.11 0.64 0.39 0.02 -1.26 0.20 135.00 135.20 3kg6 s PRO 1814Ca 0.16 2.43 -0.18 0.00 0.02 0.00 0.00 61.00 63.43 3kg6 s PRO 1814Cb 0.06 -2.94 -0.02 0.00 0.02 0.00 0.00 34.50 31.63 3kg6 s PRO 1814CO -0.02 -0.48 1.30 0.99 -0.33 0.00 0.00 177.00 178.46 3kg6 s THR 1815N -1.15 2.04 0.23 0.99 2.01 -1.26 -4.56 115.64 113.95 3kg6 s THR 1815Ca 0.53 0.03 -0.32 0.00 0.31 0.00 0.00 61.69 62.24 3kg6 s THR 1815Cb -0.44 -3.01 -0.12 0.00 0.01 0.00 0.00 72.50 68.94 3kg6 s THR 1815CO 0.59 -0.00 1.64 0.54 -0.69 0.00 0.00 174.62 176.69 3kg6 n ARG 1816N -1.80 2.61 -0.18 4.92 1.74 -1.26 -4.92 116.66 117.77 3kg6 n ARG 1816Ca 0.15 0.94 -0.10 0.00 -0.77 0.00 0.00 57.85 58.07 3kg6 n ARG 1816Cb 0.48 -2.74 0.01 0.00 -1.02 0.00 0.00 32.46 29.19 3kg6 n ARG 1816CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 3kg6 h ASN 1817N 5.76 0.94 -4.12 0.55 -0.73 -2.05 -3.44 115.58 112.49 3kg6 h ASN 1817Ca -0.45 -0.32 -0.60 0.00 1.87 0.00 0.00 56.30 56.81 3kg6 h ASN 1817Cb 1.22 -0.25 -0.22 0.00 0.27 0.00 0.00 38.32 39.34 3kg6 h ASN 1817CO 0.88 1.03 -0.84 -0.94 -0.37 0.00 0.00 177.43 177.18 3kg6 s SER 1818N -6.47 2.75 0.15 1.15 1.04 -1.26 -5.12 113.70 105.94 3kg6 s SER 1818Ca -0.12 -0.69 -0.31 0.00 0.48 0.00 0.00 55.95 55.31 3kg6 s SER 1818Cb 0.12 -0.17 -0.08 0.00 0.10 0.00 0.00 66.02 65.99 3kg6 s SER 1818CO 0.84 0.10 1.33 -1.10 0.98 0.00 0.00 173.24 175.39 3kg6 s GLN 1819N -1.89 4.36 0.10 4.02 -0.21 -1.26 -5.00 119.66 119.78 3kg6 s GLN 1819Ca 0.09 2.04 -0.30 0.00 0.02 0.00 0.00 55.36 57.20 3kg6 s GLN 1819Cb -0.10 -3.23 -0.06 0.00 1.00 0.00 0.00 33.01 30.62 3kg6 s GLN 1819CO 0.04 -0.33 1.17 0.00 -2.12 0.00 0.00 175.29 174.06 3kg6 s ALA 1820N 0.60 3.38 -0.06 6.09 0.00 -1.26 -4.98 121.76 125.54 3kg6 s ALA 1820Ca 0.60 0.84 0.02 0.00 0.00 0.00 0.00 51.96 53.42 3kg6 s ALA 1820Cb -0.36 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.36 3kg6 s ALA 1820CO 0.34 -0.38 -0.10 0.15 0.00 0.00 0.00 175.76 175.78 3kg6 s LYS 1821N 0.61 1.41 0.11 0.00 1.02 -1.26 -0.77 119.74 120.87 3kg6 s LYS 1821Ca 0.56 -0.31 0.05 0.00 0.02 0.00 0.00 55.97 56.29 3kg6 s LYS 1821Cb -0.30 -1.23 -0.04 0.00 -0.52 0.00 0.00 37.83 35.75 3kg6 s LYS 1821CO 0.31 -0.02 0.04 0.96 -0.92 0.00 0.00 175.35 175.73 3kg6 s ILE 1822N 0.78 4.18 -0.90 2.17 -4.36 -0.72 -4.99 121.20 117.37 3kg6 s ILE 1822Ca -0.13 -1.02 -0.24 0.00 -0.26 0.00 0.00 60.65 59.00 3kg6 s ILE 1822Cb -0.15 -3.04 -0.02 0.00 1.25 0.00 0.00 42.46 40.50 3kg6 s ILE 1822CO 0.02 0.04 1.78 -0.62 0.24 0.00 0.00 174.94 176.41 3kg6 s ASP 1823N -2.57 5.55 0.29 4.36 -1.08 -1.26 -4.47 116.67 117.48 3kg6 s ASP 1823Ca 0.28 -0.76 -0.00 0.00 -0.52 0.00 0.00 52.55 51.54 3kg6 s ASP 1823Cb -0.11 -2.56 0.44 0.00 -1.46 0.00 0.00 42.92 39.23 3kg6 s ASP 1823CO 0.20 -2.35 1.83 0.25 0.52 0.00 0.00 175.17 175.62 3kg6 h LEU 1824N 16.21 0.71 -1.50 -1.34 5.85 -1.90 -2.55 115.31 130.79 3kg6 h LEU 1824Ca 0.07 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3kg6 h LEU 1824Cb 1.02 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 3kg6 h LEU 1824CO 1.27 0.72 0.26 -0.33 -0.34 0.00 0.00 178.44 180.02 3kg6 h GLU 1825N 0.73 0.60 -0.28 1.25 5.08 -1.94 -0.34 114.58 119.68 3kg6 h GLU 1825Ca 0.16 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 3kg6 h GLU 1825Cb 0.31 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3kg6 h GLU 1825CO 0.00 0.43 -0.32 -0.22 -1.00 0.00 0.00 179.01 177.90 3kg6 h LYS 1826N 0.61 0.71 -0.21 2.33 3.64 -1.87 -2.36 116.57 119.42 3kg6 h LYS 1826Ca 0.16 -0.39 -0.10 0.00 -1.27 0.00 0.00 60.65 59.06 3kg6 h LYS 1826Cb -0.01 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3kg6 h LYS 1826CO -0.03 1.01 -0.29 1.88 -2.27 0.00 0.00 179.45 179.75 3kg6 h TYR 1827N 0.45 0.46 -0.51 1.91 0.05 -1.26 0.92 116.97 118.99 3kg6 h TYR 1827Ca 0.04 -0.10 -0.10 0.00 0.05 0.00 0.00 58.73 58.62 3kg6 h TYR 1827Cb 0.89 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.50 3kg6 h TYR 1827CO 0.07 0.66 -0.07 1.96 -1.05 0.00 0.00 178.16 179.73 3kg6 h GLN 1828N 0.36 0.91 0.14 4.88 4.20 -1.02 -1.13 115.11 123.43 3kg6 h GLN 1828Ca 0.05 -0.30 -0.29 0.00 0.06 0.00 0.00 58.65 58.17 3kg6 h GLN 1828Cb 0.69 -0.08 0.02 0.00 0.30 0.00 0.00 27.48 28.41 3kg6 h GLN 1828CO 0.05 0.94 -1.26 0.00 -0.67 0.00 0.00 178.83 177.90 3kg6 h ALA 1829N 1.09 0.04 -0.04 3.87 0.00 -1.26 -3.35 119.26 119.61 3kg6 h ALA 1829Ca 0.14 -0.81 -0.17 0.00 0.00 0.00 0.00 54.91 54.06 3kg6 h ALA 1829Cb 0.58 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3kg6 h ALA 1829CO 0.04 0.79 -0.74 1.49 0.00 0.00 0.00 179.25 180.82 3kg6 h GLU 1830N 0.19 0.23 -4.17 0.00 4.81 -0.78 -3.36 114.58 111.50 3kg6 h GLU 1830Ca -0.17 -0.20 -0.76 0.00 -0.13 0.00 0.00 59.36 58.10 3kg6 h GLU 1830Cb 1.94 0.05 -0.24 0.00 0.63 0.00 0.00 28.75 31.13 3kg6 h GLU 1830CO 0.23 0.87 0.16 0.00 -0.73 0.00 0.00 179.01 179.54 3kg6 n SER 1832N 4.90 1.64 -4.59 0.00 3.41 -1.20 -4.58 113.62 113.20 3kg6 n SER 1832Ca 0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.25 3kg6 n SER 1832Cb 0.45 0.87 -0.03 0.00 -0.26 0.00 0.00 64.21 65.25 3kg6 n SER 1832CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kg6 s GLN 1833N -2.36 3.70 0.30 4.33 -2.07 -1.19 -4.88 119.66 117.51 3kg6 s GLN 1833Ca -0.07 0.48 -0.29 0.00 -1.82 0.00 0.00 55.36 53.66 3kg6 s GLN 1833Cb 0.04 -3.89 -0.10 0.00 -1.09 0.00 0.00 33.01 27.97 3kg6 s GLN 1833CO 0.56 -1.25 1.21 0.00 -1.32 0.00 0.00 175.29 174.49 3kg6 s ALA 1834N 4.08 3.46 -0.15 2.60 0.00 -1.26 -1.08 121.76 129.40 3kg6 s ALA 1834Ca 0.43 1.09 -0.05 0.00 0.00 0.00 0.00 51.96 53.43 3kg6 s ALA 1834Cb -0.09 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3kg6 s ALA 1834CO 0.27 -0.41 0.02 0.42 0.00 0.00 0.00 175.76 176.07 3kg6 s ILE 1835N -1.12 4.47 0.09 0.00 -1.09 0.16 -4.92 121.20 118.79 3kg6 s ILE 1835Ca 0.47 -0.16 -0.30 0.00 -2.23 0.00 0.00 60.65 58.43 3kg6 s ILE 1835Cb -0.36 -2.96 -0.06 0.00 -1.58 0.00 0.00 42.46 37.50 3kg6 s ILE 1835CO 0.47 0.51 1.12 -0.70 -1.23 0.00 0.00 174.94 175.11 3kg6 s GLU 1836N -0.00 4.52 0.14 2.79 2.12 -1.26 -4.09 118.70 122.91 3kg6 s GLU 1836Ca 0.04 1.67 -0.13 0.00 0.36 0.00 0.00 54.97 56.91 3kg6 s GLU 1836Cb -0.13 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.93 3kg6 s GLU 1836CO 0.02 -0.09 1.62 0.82 -0.54 0.00 0.00 175.26 177.08 3kg6 h ILE 1837N 4.29 1.25 -0.77 -3.70 1.08 -1.95 -1.76 117.51 115.94 3kg6 h ILE 1837Ca -0.42 -0.95 -0.04 0.00 -0.39 0.00 0.00 64.86 63.05 3kg6 h ILE 1837Cb 1.21 0.95 -0.04 0.00 -3.07 0.00 0.00 36.82 35.87 3kg6 h ILE 1837CO 0.77 0.34 0.34 -0.33 -0.69 0.00 0.00 178.15 178.57 3kg6 h GLU 1838N 0.67 1.13 -0.74 2.37 5.08 -1.99 -2.29 114.58 118.80 3kg6 h GLU 1838Ca 0.14 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3kg6 h GLU 1838Cb 0.42 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 3kg6 h GLU 1838CO 0.01 0.89 0.45 1.49 -1.00 0.00 0.00 179.01 180.85 3kg6 h GLU 1839N 1.11 1.01 -0.36 2.33 4.81 -1.93 -2.24 114.58 119.31 3kg6 h GLU 1839Ca 0.26 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 3kg6 h GLU 1839Cb 0.16 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3kg6 h GLU 1839CO -0.03 0.72 0.20 1.25 -0.73 0.00 0.00 179.01 180.43 3kg6 h HIS 1840N 1.02 0.38 0.00 0.92 2.76 -0.77 -1.95 115.15 117.52 3kg6 h HIS 1840Ca 0.27 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 3kg6 h HIS 1840Cb -0.03 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 28.81 3kg6 h HIS 1840CO -0.01 0.22 -0.33 1.88 -1.30 0.00 0.00 177.93 178.39 3kg6 h TYR 1841N 0.42 0.00 -0.14 5.26 0.05 -1.46 -3.02 116.97 118.08 3kg6 h TYR 1841Ca 0.14 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.84 3kg6 h TYR 1841Cb 0.01 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 3kg6 h TYR 1841CO -0.08 0.00 -0.25 -0.09 -1.05 0.00 0.00 178.16 176.70 3kg6 h ARG 1842N 0.00 0.42 0.00 4.88 2.43 -1.23 -2.70 114.38 118.18 3kg6 h ARG 1842Ca 0.00 -0.26 -0.06 0.00 -0.81 0.00 0.00 59.98 58.85 3kg6 h ARG 1842Cb 0.97 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 3kg6 h ARG 1842CO 0.00 0.85 -0.27 0.93 -1.51 0.00 0.00 179.97 179.97 3kg6 h GLU 1843N 0.03 0.00 -0.17 0.20 5.08 -1.41 -2.66 114.58 115.65 3kg6 h GLU 1843Ca 0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 3kg6 h GLU 1843Cb 0.82 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 3kg6 h GLU 1843CO 0.06 0.27 -0.25 1.88 -1.00 0.00 0.00 179.01 179.97 3kg6 h TYR 1844N 0.00 0.58 -0.39 4.33 0.05 -1.55 -3.07 116.97 116.91 3kg6 h TYR 1844Ca -0.00 -0.19 -0.02 0.00 0.05 0.00 0.00 58.73 58.56 3kg6 h TYR 1844Cb 0.52 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 3kg6 h TYR 1844CO 0.00 0.88 0.14 -0.09 -1.05 0.00 0.00 178.16 178.04 3kg6 h ARG 1845N 0.12 0.56 -0.20 4.88 2.43 -1.23 -1.36 114.38 119.58 3kg6 h ARG 1845Ca 0.02 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 3kg6 h ARG 1845Cb 0.82 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 3kg6 h ARG 1845CO 0.06 0.47 -0.34 0.77 -1.51 0.00 0.00 179.97 179.42 3kg6 h SER 1846N 0.55 0.42 1.23 -3.80 0.02 -1.54 -2.83 113.55 107.61 3kg6 h SER 1846Ca 0.14 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 3kg6 h SER 1846Cb 0.14 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 3kg6 h SER 1846CO -0.01 0.73 -0.13 0.11 -1.14 0.00 0.00 176.83 176.39 3kg6 h LYS 1847N 0.35 0.00 0.00 3.45 1.57 -1.20 -3.47 116.57 117.27 3kg6 h LYS 1847Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3kg6 h LYS 1847Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3kg6 h LYS 1847CO 0.06 0.13 0.00 0.41 -0.57 0.00 0.00 179.45 179.48 3kg6 n GLY 1848N 0.41 1.43 3.23 3.86 0.00 -0.82 -4.93 105.19 108.36 3kg6 n GLY 1848Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3kg6 n GLY 1848CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kg6 s ILE 1849N -2.00 3.78 -0.54 -0.61 1.01 -0.61 0.52 121.20 122.75 3kg6 s ILE 1849Ca 0.00 -1.47 -0.19 0.00 0.00 0.00 0.00 60.65 58.99 3kg6 s ILE 1849Cb 0.00 -3.31 0.08 0.00 0.01 0.00 0.00 42.46 39.24 3kg6 s ILE 1849CO 0.00 -0.42 0.66 -0.62 0.00 0.00 0.00 174.94 174.57 3kg6 s ASP 1850N 1.79 6.21 -0.17 3.58 2.15 0.38 -2.94 116.67 127.66 3kg6 s ASP 1850Ca 0.02 -1.11 -0.19 0.00 0.43 0.00 0.00 52.55 51.70 3kg6 s ASP 1850Cb -0.22 -2.30 -0.04 0.00 -0.30 0.00 0.00 42.92 40.07 3kg6 s ASP 1850CO 0.01 -0.99 0.52 -0.31 -0.17 0.00 0.00 175.17 174.22 3kg6 s TYR 1851N 2.69 3.43 0.78 -5.34 4.12 -1.26 -1.90 117.35 119.87 3kg6 s TYR 1851Ca 0.14 0.84 -0.09 0.00 0.02 0.00 0.00 57.07 57.98 3kg6 s TYR 1851Cb -0.21 -2.64 0.10 0.00 -1.52 0.00 0.00 41.96 37.69 3kg6 s TYR 1851CO 0.10 -0.00 1.11 0.20 0.02 0.00 0.00 175.55 176.97 3kg6 s GLY 1852N 0.95 1.69 0.61 0.71 0.00 0.16 -4.96 107.32 106.48 3kg6 s GLY 1852Ca 0.26 -0.99 0.30 0.00 0.00 0.00 0.00 44.72 44.28 3kg6 s GLY 1852CO 0.10 -0.48 2.03 1.48 0.00 0.00 0.00 173.10 176.23 3kg6 h SER 1853N -0.90 0.00 0.46 1.64 4.64 -1.97 -1.60 113.55 115.83 3kg6 h SER 1853Ca -0.44 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.79 3kg6 h SER 1853Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3kg6 h SER 1853CO 0.55 0.00 -0.41 0.28 -0.87 0.00 0.00 176.83 176.38 3kg6 h SER 1854N 0.00 0.00 -0.63 4.97 0.02 -1.93 -2.81 113.55 113.17 3kg6 h SER 1854Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3kg6 h SER 1854Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3kg6 h SER 1854CO -0.00 0.41 0.00 0.49 -1.14 0.00 0.00 176.83 176.59 3kg6 n PHE 1855N -3.97 1.73 -2.24 3.45 3.72 -0.60 -4.49 117.46 115.06 3kg6 n PHE 1855Ca -0.02 -0.65 -0.30 0.00 -0.05 0.00 0.00 57.45 56.43 3kg6 n PHE 1855Cb 0.45 -0.35 0.02 0.00 -0.94 0.00 0.00 39.48 38.66 3kg6 n PHE 1855CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3kg6 n GLN 1856N 0.97 3.25 -1.41 -1.08 6.02 -1.06 -4.66 117.38 119.41 3kg6 n GLN 1856Ca 0.27 -4.17 -0.25 0.00 -0.01 0.00 0.00 57.00 52.84 3kg6 n GLN 1856Cb 1.01 -2.26 -0.08 0.00 1.02 0.00 0.00 30.24 29.93 3kg6 n GLN 1856CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kg6 n GLY 1857N -0.54 4.13 3.00 1.08 0.00 -1.26 -4.85 105.19 106.74 3kg6 n GLY 1857Ca 0.44 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 3kg6 n GLY 1857CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kg6 s ILE 1858N -1.72 1.39 -0.12 -0.61 1.01 -1.26 -1.03 121.20 118.86 3kg6 s ILE 1858Ca 0.60 -0.54 -0.19 0.00 0.00 0.00 0.00 60.65 60.53 3kg6 s ILE 1858Cb 0.37 -1.32 -0.26 0.00 0.01 0.00 0.00 42.46 41.27 3kg6 s ILE 1858CO -0.19 0.43 0.55 0.50 0.00 0.00 0.00 174.94 176.23 3kg6 h LYS 1859N 7.89 0.17 -3.87 2.79 3.64 -1.06 -3.46 116.57 122.68 3kg6 h LYS 1859Ca -0.34 -0.29 -0.14 0.00 -1.27 0.00 0.00 60.65 58.61 3kg6 h LYS 1859Cb 1.15 0.11 -0.19 0.00 -0.41 0.00 0.00 32.23 32.89 3kg6 h LYS 1859CO 0.49 1.14 -0.58 -0.65 -2.27 0.00 0.00 179.45 177.57 3kg6 s GLN 1860N -2.42 0.51 -0.02 1.90 -0.21 -1.11 -4.95 119.66 113.36 3kg6 s GLN 1860Ca -0.21 -0.73 -0.00 0.00 0.02 0.00 0.00 55.36 54.44 3kg6 s GLN 1860Cb 0.03 0.19 0.03 0.00 1.00 0.00 0.00 33.01 34.26 3kg6 s GLN 1860CO 0.73 -0.11 0.04 -1.17 -2.12 0.00 0.00 175.29 172.66 3kg6 s LEU 1861N -1.96 1.16 0.06 2.90 0.20 -1.26 -1.35 118.68 118.44 3kg6 s LEU 1861Ca -0.08 0.06 0.04 0.00 0.69 0.00 0.00 54.13 54.85 3kg6 s LEU 1861Cb -0.03 -0.01 -0.03 0.00 -0.43 0.00 0.00 46.19 45.69 3kg6 s LEU 1861CO -0.04 -0.11 -0.12 0.26 -0.29 0.00 0.00 176.35 176.05 3kg6 s TRP 1862N 0.94 1.04 -0.13 5.38 0.51 0.45 0.36 118.94 127.49 3kg6 s TRP 1862Ca -0.08 -0.47 0.02 0.00 -2.12 0.00 0.00 56.10 53.46 3kg6 s TRP 1862Cb -0.11 -0.60 0.01 0.00 -0.81 0.00 0.00 33.47 31.96 3kg6 s TRP 1862CO -0.03 0.01 -0.20 0.21 -0.51 0.00 0.00 176.95 176.43 3kg6 s LYS 1863N -1.66 2.81 0.10 4.98 2.20 -0.24 -1.60 119.74 126.33 3kg6 s LYS 1863Ca -0.04 -0.78 0.01 0.00 -0.36 0.00 0.00 55.97 54.79 3kg6 s LYS 1863Cb -0.10 -2.28 0.01 0.00 -1.51 0.00 0.00 37.83 33.95 3kg6 s LYS 1863CO 0.02 -0.01 0.06 0.41 -0.36 0.00 0.00 175.35 175.47 3kg6 n GLY 1864N 4.05 3.25 3.56 5.54 0.00 -0.89 -3.14 105.19 117.55 3kg6 n GLY 1864Ca -0.20 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.19 3kg6 n GLY 1864CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kg6 s GLN 1865N -2.39 3.53 -0.22 1.61 0.74 -1.26 -3.67 119.66 118.00 3kg6 s GLN 1865Ca 0.04 0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.46 3kg6 s GLN 1865Cb -0.00 -3.89 0.00 0.00 1.10 0.00 0.00 33.01 30.22 3kg6 s GLN 1865CO 0.03 -0.98 0.00 0.41 -0.55 0.00 0.00 175.29 174.19 3kg6 n GLY 1866N 4.82 0.45 3.16 2.59 0.00 -1.25 -4.99 105.19 109.98 3kg6 n GLY 1866Ca 0.02 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 3kg6 n GLY 1866CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kg6 s LYS 1867N -1.32 0.83 -0.19 1.61 1.02 -1.24 -0.42 119.74 120.04 3kg6 s LYS 1867Ca 0.00 -1.36 -0.21 0.00 0.02 0.00 0.00 55.97 54.42 3kg6 s LYS 1867Cb 0.00 -0.01 0.06 0.00 -0.52 0.00 0.00 37.83 37.35 3kg6 s LYS 1867CO 0.00 -0.11 0.58 0.00 -0.92 0.00 0.00 175.35 174.90 3kg6 s ALA 1868N -3.80 -1.44 -0.02 5.17 0.00 -0.66 -2.10 121.76 118.92 3kg6 s ALA 1868Ca 0.15 1.52 0.04 0.00 0.00 0.00 0.00 51.96 53.66 3kg6 s ALA 1868Cb 0.07 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 3kg6 s ALA 1868CO -0.04 -0.29 -0.13 -1.17 0.00 0.00 0.00 175.76 174.14 3kg6 s LEU 1869N 0.03 1.94 -0.04 0.00 2.96 -0.62 -1.49 118.68 121.45 3kg6 s LEU 1869Ca -0.02 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.64 3kg6 s LEU 1869Cb -0.04 -0.71 0.03 0.00 0.50 0.00 0.00 46.19 45.97 3kg6 s LEU 1869CO 0.02 0.14 -0.00 -0.83 -1.32 0.00 0.00 176.35 174.36 3kg6 s GLY 1870N -0.10 0.33 -0.40 7.98 0.00 -0.50 -0.41 107.32 114.22 3kg6 s GLY 1870Ca 0.01 0.06 -0.27 0.00 0.00 0.00 0.00 44.72 44.52 3kg6 s GLY 1870CO 0.00 0.76 1.02 1.85 0.00 0.00 0.00 173.10 176.73 3kg6 s GLU 1871N 1.32 3.83 0.35 2.90 2.12 -0.46 -0.50 118.70 128.26 3kg6 s GLU 1871Ca -0.05 0.64 -0.10 0.00 0.36 0.00 0.00 54.97 55.82 3kg6 s GLU 1871Cb -0.13 -3.83 -0.06 0.00 0.26 0.00 0.00 34.13 30.36 3kg6 s GLU 1871CO -0.02 -1.08 0.70 -1.64 -0.54 0.00 0.00 175.26 172.67 3kg6 s MET 1872N 3.80 3.77 0.07 4.30 -1.94 -0.36 -0.50 119.30 128.44 3kg6 s MET 1872Ca 0.42 0.37 0.05 0.00 -1.71 0.00 0.00 55.69 54.82 3kg6 s MET 1872Cb -0.11 -2.48 -0.03 0.00 2.01 0.00 0.00 34.83 34.23 3kg6 s MET 1872CO 0.22 0.07 -0.13 0.00 -0.01 0.00 0.00 175.02 175.17 3kg6 s ALA 1873N -2.21 1.10 -0.33 3.03 0.00 -0.19 -4.47 121.76 118.69 3kg6 s ALA 1873Ca 0.50 -0.96 -0.15 0.00 0.00 0.00 0.00 51.96 51.35 3kg6 s ALA 1873Cb -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 3kg6 s ALA 1873CO 0.28 0.15 0.37 -0.06 0.00 0.00 0.00 175.76 176.51 3kg6 s PHE 1874N -1.25 3.21 0.27 0.00 0.08 -1.26 -4.44 117.98 114.60 3kg6 s PHE 1874Ca -0.03 0.09 -0.30 0.00 0.12 0.00 0.00 56.93 56.81 3kg6 s PHE 1874Cb -0.10 -2.67 -0.11 0.00 -0.57 0.00 0.00 43.02 39.57 3kg6 s PHE 1874CO 0.02 -0.39 1.61 -2.14 -0.10 0.00 0.00 175.22 174.22 3kg6 s PRO 1875N 2.06 4.13 0.34 0.24 0.02 -1.26 -4.90 135.00 135.62 3kg6 s PRO 1875Ca 0.13 2.57 0.08 0.00 0.02 0.00 0.00 61.00 63.81 3kg6 s PRO 1875Cb -0.16 -3.04 0.80 0.00 0.02 0.00 0.00 34.50 32.12 3kg6 s PRO 1875CO 0.11 -0.65 1.84 1.49 -0.33 0.00 0.00 177.00 179.46 3kg6 h GLU 1876N 5.23 0.69 -0.13 5.54 4.22 -1.97 -1.59 114.58 126.58 3kg6 h GLU 1876Ca -0.46 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 58.89 3kg6 h GLU 1876Cb 1.22 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3kg6 h GLU 1876CO 0.82 0.46 -0.12 0.93 -2.18 0.00 0.00 179.01 178.92 3kg6 h GLU 1877N 0.71 0.20 0.00 1.92 3.07 -1.98 -3.14 114.58 115.37 3kg6 h GLU 1877Ca 0.50 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 3kg6 h GLU 1877Cb 0.81 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 3kg6 h GLU 1877CO -0.26 0.33 -0.39 1.28 -1.40 0.00 0.00 179.01 178.57 3kg6 n LEU 1878N -4.29 0.42 0.21 1.33 4.32 -0.60 -4.25 117.00 114.13 3kg6 n LEU 1878Ca -0.01 0.15 0.05 0.00 -0.02 0.00 0.00 56.01 56.18 3kg6 n LEU 1878Cb 0.25 -0.30 0.46 0.00 -1.62 0.00 0.00 43.42 42.22 3kg6 n LEU 1878CO 0.37 0.07 0.84 0.71 -1.22 0.00 0.00 177.39 178.16 3kg6 h THR 1879N 0.00 1.14 0.00 -5.08 1.35 -1.55 -2.66 112.91 106.11 3kg6 h THR 1879Ca 0.00 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 3kg6 h THR 1879Cb 0.54 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 3kg6 h THR 1879CO 0.00 0.25 0.00 0.00 -0.25 0.00 0.00 175.52 175.52 3kg6 h ALA 1880N 1.75 1.00 -0.24 6.62 0.00 -1.81 -3.30 119.26 123.28 3kg6 h ALA 1880Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kg6 h ALA 1880Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kg6 h ALA 1880CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3kg6 n GLN 1881N -2.41 2.90 0.16 0.00 10.64 -1.01 -4.66 117.38 123.00 3kg6 n GLN 1881Ca 0.05 -1.91 0.01 0.00 -1.83 0.00 0.00 57.00 53.32 3kg6 n GLN 1881Cb 0.43 -1.20 0.28 0.00 -0.86 0.00 0.00 30.24 28.89 3kg6 n GLN 1881CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 3kg6 h LEU 1882N 1.39 0.01 -1.85 2.61 3.38 -1.62 -2.96 115.31 116.28 3kg6 h LEU 1882Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3kg6 h LEU 1882Cb 0.68 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3kg6 h LEU 1882CO 0.01 0.48 -0.14 0.00 0.09 0.00 0.00 178.44 178.87 3kg6 h ALA 1883N 1.52 1.44 0.00 1.53 0.00 -1.85 -2.70 119.26 119.21 3kg6 h ALA 1883Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kg6 h ALA 1883Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3kg6 h ALA 1883CO 0.06 0.17 0.00 -0.25 0.00 0.00 0.00 179.25 179.24 3kg6 n ASP 1884N -3.90 0.00 -4.37 0.00 8.00 -1.12 -4.85 116.55 110.31 3kg6 n ASP 1884Ca -0.02 0.07 -0.26 0.00 0.71 0.00 0.00 54.79 55.29 3kg6 n ASP 1884Cb 0.23 -0.35 -0.12 0.00 -0.02 0.00 0.00 41.12 40.87 3kg6 n ASP 1884CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kg6 s TYR 1885N -2.69 2.12 -0.02 1.24 2.02 -1.02 -4.75 117.35 114.25 3kg6 s TYR 1885Ca 0.22 -0.40 -0.23 0.00 -0.37 0.00 0.00 57.07 56.29 3kg6 s TYR 1885Cb 0.18 -1.09 -0.21 0.00 -0.40 0.00 0.00 41.96 40.44 3kg6 s TYR 1885CO 0.43 0.38 1.15 1.96 -1.57 0.00 0.00 175.55 177.90 3kg6 h GLN 1886N 3.51 0.20 -2.39 -0.62 1.08 -1.89 -3.45 115.11 111.55 3kg6 h GLN 1886Ca -0.47 -0.16 -0.07 0.00 -1.45 0.00 0.00 58.65 56.51 3kg6 h GLN 1886Cb 1.19 0.03 -0.26 0.00 -0.05 0.00 0.00 27.48 28.39 3kg6 h GLN 1886CO 0.45 0.81 -0.34 -1.17 -0.95 0.00 0.00 178.83 177.63 3kg6 s LEU 1887N -8.78 -0.73 0.16 1.46 2.96 -1.26 -4.75 118.68 107.74 3kg6 s LEU 1887Ca -0.15 1.05 -0.33 0.00 -0.22 0.00 0.00 54.13 54.47 3kg6 s LEU 1887Cb 0.02 1.50 -0.13 0.00 0.50 0.00 0.00 46.19 48.08 3kg6 s LEU 1887CO 0.73 -0.23 1.66 1.57 -1.32 0.00 0.00 176.35 178.76 3kg6 n HIS 1888N 5.40 2.45 -0.30 5.38 -0.00 -1.26 -4.79 115.22 122.11 3kg6 n HIS 1888Ca -0.09 0.15 0.12 0.00 -0.00 0.00 0.00 57.72 57.90 3kg6 n HIS 1888Cb 0.49 -2.61 0.36 0.00 -0.00 0.00 0.00 29.99 28.24 3kg6 n HIS 1888CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3kg6 h PRO 1889N 6.58 0.70 -0.39 1.57 0.11 -1.97 -0.83 132.00 137.78 3kg6 h PRO 1889Ca -0.45 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3kg6 h PRO 1889Cb 1.24 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3kg6 h PRO 1889CO 0.92 0.47 -0.05 0.00 -0.21 0.00 0.00 178.00 179.13 3kg6 h ALA 1890N 1.60 1.20 -0.23 -0.75 0.00 -1.90 -1.16 119.26 118.02 3kg6 h ALA 1890Ca 0.48 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3kg6 h ALA 1890Cb 0.77 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3kg6 h ALA 1890CO -0.25 0.52 -0.08 -0.07 0.00 0.00 0.00 179.25 179.37 3kg6 h LEU 1891N 0.60 0.47 -0.80 0.00 4.07 -1.47 -2.61 115.31 115.58 3kg6 h LEU 1891Ca 0.12 -0.39 -0.10 0.00 0.08 0.00 0.00 57.88 57.59 3kg6 h LEU 1891Cb 0.45 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 3kg6 h LEU 1891CO 0.02 0.75 -0.15 0.25 -1.08 0.00 0.00 178.44 178.24 3kg6 h LEU 1892N 0.19 0.74 -1.00 1.67 5.85 -1.19 -2.87 115.31 118.69 3kg6 h LEU 1892Ca 0.06 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 3kg6 h LEU 1892Cb 0.56 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3kg6 h LEU 1892CO 0.03 0.90 0.25 -0.78 -0.34 0.00 0.00 178.44 178.50 3kg6 h ASP 1893N 0.67 0.89 -0.77 1.25 1.82 -1.22 -1.12 116.42 117.93 3kg6 h ASP 1893Ca 0.11 -0.13 0.04 0.00 -0.39 0.00 0.00 57.03 56.66 3kg6 h ASP 1893Cb 0.63 -0.23 -0.05 0.00 0.68 0.00 0.00 39.33 40.36 3kg6 h ASP 1893CO 0.04 0.80 0.48 0.00 -1.61 0.00 0.00 179.24 178.95 3kg6 h ALA 1894N 1.33 1.03 -0.60 -0.78 0.00 -1.24 -0.43 119.26 118.57 3kg6 h ALA 1894Ca 0.22 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3kg6 h ALA 1894Cb 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3kg6 h ALA 1894CO -0.02 0.24 0.01 0.00 0.00 0.00 0.00 179.25 179.48 3kg6 h ALA 1895N 1.35 0.90 -0.67 0.00 0.00 -1.33 -2.96 119.26 116.55 3kg6 h ALA 1895Ca 0.32 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3kg6 h ALA 1895Cb 0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3kg6 h ALA 1895CO -0.14 0.66 0.44 0.74 0.00 0.00 0.00 179.25 180.94 3kg6 h PHE 1896N 0.94 0.77 0.00 0.00 -1.00 -0.26 -2.33 116.94 115.07 3kg6 h PHE 1896Ca 0.17 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.97 3kg6 h PHE 1896Cb 0.53 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 39.83 3kg6 h PHE 1896CO 0.04 0.45 0.00 1.96 -1.61 0.00 0.00 178.31 179.14 3kg6 h GLN 1897N 0.80 0.00 0.00 1.51 4.20 -0.94 -2.12 115.11 118.56 3kg6 h GLN 1897Ca 0.27 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.93 3kg6 h GLN 1897Cb 0.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3kg6 h GLN 1897CO -0.07 0.00 -0.21 0.82 -0.67 0.00 0.00 178.83 178.69 3kg6 h ILE 1898N 0.00 0.37 -0.85 2.54 2.04 -1.51 -3.37 117.51 116.73 3kg6 h ILE 1898Ca 0.00 -1.51 0.04 0.00 1.00 0.00 0.00 64.86 64.39 3kg6 h ILE 1898Cb 0.14 2.17 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 3kg6 h ILE 1898CO 0.00 0.21 0.55 0.58 0.00 0.00 0.00 178.15 179.48 3kg6 h VAL 1899N 0.00 1.13 -0.16 1.67 2.07 -1.50 -2.38 116.25 117.09 3kg6 h VAL 1899Ca -0.00 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.20 3kg6 h VAL 1899Cb 1.15 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3kg6 h VAL 1899CO 0.03 0.19 0.17 0.77 0.02 0.00 0.00 177.57 178.75 3kg6 h SER 1900N 1.06 0.00 1.91 0.57 4.64 -1.78 0.36 113.55 120.31 3kg6 h SER 1900Ca 0.34 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.65 3kg6 h SER 1900Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3kg6 h SER 1900CO -0.12 0.00 -0.05 1.88 -0.87 0.00 0.00 176.83 177.67 3kg6 h TYR 1901N 0.00 0.00 0.00 4.77 0.05 -1.70 -3.13 116.97 116.95 3kg6 h TYR 1901Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3kg6 h TYR 1901Cb 0.42 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.16 3kg6 h TYR 1901CO 0.00 0.05 -0.63 0.00 -1.05 0.00 0.00 178.16 176.53 3kg6 h ALA 1902N 1.95 0.66 -2.64 3.88 0.00 -1.01 -3.43 119.26 118.66 3kg6 h ALA 1902Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3kg6 h ALA 1902Cb 1.02 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.84 3kg6 h ALA 1902CO 0.01 0.00 0.67 0.42 0.00 0.00 0.00 179.25 180.35 3kg6 s ILE 1903N -3.28 3.23 0.15 0.00 1.09 -1.05 -3.87 121.20 117.48 3kg6 s ILE 1903Ca 0.03 0.97 -0.30 0.00 -1.10 0.00 0.00 60.65 60.26 3kg6 s ILE 1903Cb 0.09 -3.62 -0.05 0.00 -1.06 0.00 0.00 42.46 37.82 3kg6 s ILE 1903CO 0.74 0.13 1.56 1.55 -0.10 0.00 0.00 174.94 178.81 3kg6 h PRO 1904N 5.76 -0.31 -4.63 2.79 0.13 -1.88 -3.31 132.00 130.55 3kg6 h PRO 1904Ca -0.44 0.02 -0.69 0.00 -0.87 0.00 0.00 66.00 64.02 3kg6 h PRO 1904Cb 1.21 0.07 -0.33 0.00 0.13 0.00 0.00 31.00 32.08 3kg6 h PRO 1904CO 0.80 -0.21 -0.62 -1.01 -0.23 0.00 0.00 178.00 176.73 3kg6 s HIS 1905N -5.72 3.42 -0.36 1.56 3.76 -1.26 -4.97 115.29 111.71 3kg6 s HIS 1905Ca -0.14 -2.08 -0.29 0.00 -0.15 0.00 0.00 55.06 52.40 3kg6 s HIS 1905Cb 0.10 -2.63 -0.00 0.00 1.11 0.00 0.00 32.58 31.16 3kg6 s HIS 1905CO 0.63 -0.87 1.50 0.99 -0.85 0.00 0.00 174.74 176.14 3kg6 s THR 1906N 1.22 3.82 -0.67 1.30 2.01 -1.25 -4.96 115.64 117.10 3kg6 s THR 1906Ca 0.01 0.85 -0.24 0.00 0.31 0.00 0.00 61.69 62.63 3kg6 s THR 1906Cb -0.21 -4.03 0.05 0.00 0.01 0.00 0.00 72.50 68.32 3kg6 s THR 1906CO -0.02 -0.61 1.07 -1.61 -0.69 0.00 0.00 174.62 172.76 3kg6 s GLU 1907N 4.98 3.17 0.42 4.92 2.02 -1.26 -4.89 118.70 128.06 3kg6 s GLU 1907Ca 0.66 -0.54 0.08 0.00 0.02 0.00 0.00 54.97 55.18 3kg6 s GLU 1907Cb -0.17 -4.19 0.91 0.00 0.10 0.00 0.00 34.13 30.79 3kg6 s GLU 1907CO 0.32 -1.88 2.07 0.00 0.02 0.00 0.00 175.26 175.79 3kg6 h THR 1908N 6.00 1.09 0.00 3.63 1.03 -1.99 -2.30 112.91 120.38 3kg6 h THR 1908Ca -0.28 -0.18 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 3kg6 h THR 1908Cb 1.06 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.72 3kg6 h THR 1908CO 1.20 0.09 0.00 -2.24 -0.01 0.00 0.00 175.52 174.56 3kg6 h ASP 1909N 0.48 0.00 -3.20 0.00 2.03 -1.93 -3.46 116.42 110.34 3kg6 h ASP 1909Ca 0.13 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.78 3kg6 h ASP 1909Cb -0.05 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.36 3kg6 h ASP 1909CO -0.03 0.00 -0.61 -0.54 -1.03 0.00 0.00 179.24 177.04 3kg6 s LYS 1910N -3.34 2.88 -0.11 4.15 1.02 -0.87 -4.92 119.74 118.56 3kg6 s LYS 1910Ca 0.06 -0.66 0.01 0.00 0.02 0.00 0.00 55.97 55.40 3kg6 s LYS 1910Cb 0.07 -2.73 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 3kg6 s LYS 1910CO 0.60 0.58 -0.14 -1.50 -0.92 0.00 0.00 175.35 173.98 3kg6 s ILE 1911N -1.32 3.03 -0.28 2.17 -1.16 -1.26 -4.85 121.20 117.54 3kg6 s ILE 1911Ca 0.27 -0.69 0.02 0.00 -0.51 0.00 0.00 60.65 59.74 3kg6 s ILE 1911Cb -0.12 -2.25 0.06 0.00 0.61 0.00 0.00 42.46 40.76 3kg6 s ILE 1911CO 0.19 0.54 -0.06 -0.31 -2.81 0.00 0.00 174.94 172.49 3kg6 s TYR 1912N 0.07 3.31 0.01 3.50 2.02 -1.26 -3.03 117.35 121.96 3kg6 s TYR 1912Ca -0.05 -2.24 -0.13 0.00 -0.37 0.00 0.00 57.07 54.27 3kg6 s TYR 1912Cb -0.15 -2.07 -0.06 0.00 -0.40 0.00 0.00 41.96 39.29 3kg6 s TYR 1912CO 0.04 -0.86 0.38 -0.51 -1.57 0.00 0.00 175.55 173.03 3kg6 s LEU 1913N 1.13 4.44 0.38 -1.29 1.43 0.58 -4.79 118.68 120.56 3kg6 s LEU 1913Ca -0.06 0.89 -0.27 0.00 -1.03 0.00 0.00 54.13 53.65 3kg6 s LEU 1913Cb -0.20 -2.63 -0.11 0.00 0.03 0.00 0.00 46.19 43.28 3kg6 s LEU 1913CO -0.04 0.30 1.29 -2.65 0.23 0.00 0.00 176.35 175.47 3kg6 n PRO 1914N 1.63 2.06 0.00 1.29 -0.02 -1.26 -0.67 135.00 138.03 3kg6 n PRO 1914Ca -0.13 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3kg6 n PRO 1914Cb 0.53 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3kg6 n PRO 1914CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kg6 n VAL 1915N 0.10 0.00 -3.62 -1.45 0.31 0.13 -4.78 118.33 109.01 3kg6 n VAL 1915Ca 0.05 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.23 3kg6 n VAL 1915Cb 0.38 0.04 -0.07 0.00 -0.91 0.00 0.00 33.84 33.27 3kg6 n VAL 1915CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3kg6 s GLY 1916N -0.97 -0.43 -0.05 2.92 0.00 -1.14 -1.29 107.32 106.36 3kg6 s GLY 1916Ca 0.00 1.09 -0.00 0.00 0.00 0.00 0.00 44.72 45.80 3kg6 s GLY 1916CO 0.00 0.80 -0.00 0.14 0.00 0.00 0.00 173.10 174.04 3kg6 s VAL 1917N -0.95 0.29 -0.02 1.40 1.01 -0.84 -0.39 120.40 120.90 3kg6 s VAL 1917Ca -0.10 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 3kg6 s VAL 1917Cb -0.02 -0.41 -0.08 0.00 0.00 0.00 0.00 36.38 35.87 3kg6 s VAL 1917CO 0.07 0.21 0.66 -0.33 0.00 0.00 0.00 175.10 175.70 3kg6 h GLU 1918N 7.79 -0.47 -5.33 2.72 5.08 -0.73 0.84 114.58 124.47 3kg6 h GLU 1918Ca -0.29 0.03 -0.48 0.00 -1.00 0.00 0.00 59.36 57.62 3kg6 h GLU 1918Cb 1.13 0.11 -0.28 0.00 0.50 0.00 0.00 28.75 30.21 3kg6 h GLU 1918CO 0.35 -0.31 -0.81 0.15 -1.00 0.00 0.00 179.01 177.39 3kg6 s LYS 1919N -3.22 1.12 -0.10 2.33 1.02 -0.64 -0.34 119.74 119.91 3kg6 s LYS 1919Ca -0.07 -0.57 -0.01 0.00 0.02 0.00 0.00 55.97 55.34 3kg6 s LYS 1919Cb 0.01 -1.09 0.03 0.00 -0.52 0.00 0.00 37.83 36.25 3kg6 s LYS 1919CO 0.21 0.29 -0.05 0.12 -0.92 0.00 0.00 175.35 175.01 3kg6 s PHE 1920N -0.45 1.26 -0.07 3.18 5.36 0.39 -1.04 117.98 126.62 3kg6 s PHE 1920Ca 0.05 -0.59 0.00 0.00 -0.96 0.00 0.00 56.93 55.42 3kg6 s PHE 1920Cb -0.06 -1.12 0.02 0.00 -0.34 0.00 0.00 43.02 41.53 3kg6 s PHE 1920CO -0.00 -0.47 -0.04 0.15 -1.46 0.00 0.00 175.22 173.40 3kg6 s LYS 1921N 1.78 0.93 -0.21 10.12 1.02 -0.35 -1.27 119.74 131.77 3kg6 s LYS 1921Ca 0.05 -0.08 -0.07 0.00 0.02 0.00 0.00 55.97 55.89 3kg6 s LYS 1921Cb -0.13 -1.05 -0.03 0.00 -0.52 0.00 0.00 37.83 36.10 3kg6 s LYS 1921CO -0.07 -0.18 0.05 -1.17 -0.92 0.00 0.00 175.35 173.06 3kg6 s LEU 1922N 1.39 3.58 -0.24 3.17 0.20 -1.26 -1.04 118.68 124.48 3kg6 s LEU 1922Ca -0.03 -0.07 -0.04 0.00 0.69 0.00 0.00 54.13 54.68 3kg6 s LEU 1922Cb -0.13 -1.92 -0.14 0.00 -0.43 0.00 0.00 46.19 43.57 3kg6 s LEU 1922CO -0.03 0.09 -0.26 -1.22 -0.29 0.00 0.00 176.35 174.64 3kg6 n TYR 1923N 4.11 0.00 -4.55 5.38 4.02 0.73 -4.84 117.16 122.01 3kg6 n TYR 1923Ca -0.16 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.50 3kg6 n TYR 1923Cb 0.52 -0.91 -0.16 0.00 -0.02 0.00 0.00 39.34 38.77 3kg6 n TYR 1923CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3kg6 s ARG 1924N -2.47 1.35 -0.77 -0.72 0.52 -1.11 -5.08 118.95 110.68 3kg6 s ARG 1924Ca -0.33 -0.40 -0.24 0.00 -0.52 0.00 0.00 55.73 54.24 3kg6 s ARG 1924Cb 0.10 -1.19 0.06 0.00 0.52 0.00 0.00 34.95 34.44 3kg6 s ARG 1924CO 0.50 0.12 1.18 -1.14 0.02 0.00 0.00 175.30 175.98 3kg6 s GLN 1925N 0.31 3.25 0.15 3.54 0.74 -1.26 -4.82 119.66 121.58 3kg6 s GLN 1925Ca -0.07 -0.71 0.05 0.00 0.05 0.00 0.00 55.36 54.68 3kg6 s GLN 1925Cb -0.11 -4.43 -0.04 0.00 1.10 0.00 0.00 33.01 29.53 3kg6 s GLN 1925CO 0.02 -2.01 0.12 -0.08 -0.55 0.00 0.00 175.29 172.79 3kg6 s THR 1926N 4.76 4.45 0.00 -0.34 -1.32 -1.26 -5.01 115.64 116.92 3kg6 s THR 1926Ca 0.32 -1.06 0.00 0.00 -1.21 0.00 0.00 61.69 59.73 3kg6 s THR 1926Cb -0.10 -3.26 0.00 0.00 -1.51 0.00 0.00 72.50 67.64 3kg6 s THR 1926CO 0.08 -0.08 0.19 0.00 -2.21 0.00 0.00 174.62 172.60 3kg6 n ILE 1927N -0.24 0.00 -2.54 5.08 3.06 -1.26 -5.08 119.36 118.37 3kg6 n ILE 1927Ca -0.08 -0.27 -0.23 0.00 -2.50 0.00 0.00 62.75 59.67 3kg6 n ILE 1927Cb 0.54 1.33 0.12 0.00 0.54 0.00 0.00 39.64 42.18 3kg6 n ILE 1927CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 3kg6 n SER 1928N -0.15 1.20 -4.64 9.51 7.64 -1.26 -5.02 113.62 120.90 3kg6 n SER 1928Ca 0.00 -2.04 -0.48 0.00 1.01 0.00 0.00 58.87 57.35 3kg6 n SER 1928Cb 0.08 -0.65 -0.05 0.00 -1.01 0.00 0.00 64.21 62.58 3kg6 n SER 1928CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3kg6 n GLN 1929N -2.85 1.77 -5.14 1.43 -0.06 -1.26 -5.00 117.38 106.26 3kg6 n GLN 1929Ca 0.16 0.64 -0.30 0.00 -2.00 0.00 0.00 57.00 55.50 3kg6 n GLN 1929Cb 0.57 -2.36 -0.16 0.00 -4.06 0.00 0.00 30.24 24.23 3kg6 n GLN 1929CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3kg6 s VAL 1930N 0.82 1.85 -0.10 1.69 1.01 -1.26 -4.31 120.40 120.11 3kg6 s VAL 1930Ca 0.81 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3kg6 s VAL 1930Cb -0.79 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 3kg6 s VAL 1930CO 0.42 0.52 -0.11 0.26 0.00 0.00 0.00 175.10 176.18 3kg6 s TRP 1931N -0.25 2.82 -0.15 5.22 0.52 0.06 -1.23 118.94 125.94 3kg6 s TRP 1931Ca 0.01 -0.36 -0.07 0.00 0.02 0.00 0.00 56.10 55.70 3kg6 s TRP 1931Cb -0.12 -1.77 -0.04 0.00 -1.15 0.00 0.00 33.47 30.39 3kg6 s TRP 1931CO 0.02 0.01 0.08 0.00 0.02 0.00 0.00 176.95 177.08 3kg6 s ALA 1932N -0.15 3.57 -0.14 0.98 0.00 0.34 -0.21 121.76 126.16 3kg6 s ALA 1932Ca -0.00 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.26 3kg6 s ALA 1932Cb -0.13 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.12 3kg6 s ALA 1932CO 0.03 0.40 -0.18 0.42 0.00 0.00 0.00 175.76 176.43 3kg6 s ILE 1933N -0.32 1.80 -0.01 0.00 1.09 -0.17 -1.41 121.20 122.17 3kg6 s ILE 1933Ca 0.09 -0.81 0.05 0.00 -1.10 0.00 0.00 60.65 58.88 3kg6 s ILE 1933Cb -0.12 -1.62 -0.03 0.00 -1.06 0.00 0.00 42.46 39.63 3kg6 s ILE 1933CO 0.01 0.50 -0.14 0.00 -0.10 0.00 0.00 174.94 175.22 3kg6 s ALA 1934N 1.04 2.72 -0.05 9.38 0.00 -0.55 -0.24 121.76 134.05 3kg6 s ALA 1934Ca -0.03 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 3kg6 s ALA 1934Cb -0.15 -0.93 0.04 0.00 0.00 0.00 0.00 23.12 22.08 3kg6 s ALA 1934CO -0.05 0.57 0.10 -2.00 0.00 0.00 0.00 175.76 174.39 3kg6 s GLU 1935N -1.10 0.05 0.69 0.00 2.12 0.37 -1.64 118.70 119.19 3kg6 s GLU 1935Ca 0.14 0.30 -0.17 0.00 0.36 0.00 0.00 54.97 55.60 3kg6 s GLU 1935Cb -0.11 -0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.10 3kg6 s GLU 1935CO 0.03 -0.16 1.25 1.51 -0.54 0.00 0.00 175.26 177.35 3kg6 n ILE 1936N 4.18 4.07 -4.65 -3.70 3.06 0.44 -1.08 119.36 121.68 3kg6 n ILE 1936Ca -0.27 -0.42 -0.29 0.00 -2.50 0.00 0.00 62.75 59.27 3kg6 n ILE 1936Cb 0.51 -1.39 -0.09 0.00 0.54 0.00 0.00 39.64 39.22 3kg6 n ILE 1936CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 3kg6 s ARG 1937N -3.55 2.03 0.31 9.51 0.52 -1.00 -4.77 118.95 121.99 3kg6 s ARG 1937Ca 0.80 -2.24 0.08 0.00 -0.52 0.00 0.00 55.73 53.84 3kg6 s ARG 1937Cb -0.36 -1.29 0.50 0.00 0.52 0.00 0.00 34.95 34.32 3kg6 s ARG 1937CO 0.44 -0.30 1.72 0.37 0.02 0.00 0.00 175.30 177.54 3kg6 h GLN 1938N 1.61 0.18 -6.59 3.54 4.15 -1.97 -3.43 115.11 112.60 3kg6 h GLN 1938Ca -0.42 -0.08 -0.51 0.00 0.77 0.00 0.00 58.65 58.41 3kg6 h GLN 1938Cb 1.28 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.95 3kg6 h GLN 1938CO 0.71 0.57 0.32 0.99 -1.93 0.00 0.00 178.83 179.49 3kg6 s THR 1939N -4.12 4.37 0.28 2.39 2.01 -1.26 -5.01 115.64 114.30 3kg6 s THR 1939Ca -0.04 1.99 -0.30 0.00 0.31 0.00 0.00 61.69 63.65 3kg6 s THR 1939Cb 0.14 -4.28 -0.12 0.00 0.01 0.00 0.00 72.50 68.25 3kg6 s THR 1939CO 0.76 0.40 1.62 -3.20 -0.69 0.00 0.00 174.62 173.51 3kg6 n ASN 1940N 2.24 3.90 -2.39 3.53 2.85 -1.26 -2.76 115.26 121.36 3kg6 n ASN 1940Ca -0.00 1.14 -0.20 0.00 -0.11 0.00 0.00 54.58 55.40 3kg6 n ASN 1940Cb 0.49 -1.60 -0.01 0.00 1.24 0.00 0.00 39.78 39.90 3kg6 n ASN 1940CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3kg6 n LEU 1941N 2.37 -1.85 -4.30 1.20 4.77 -1.26 -4.92 117.00 113.01 3kg6 n LEU 1941Ca 0.09 0.01 -0.30 0.00 -0.03 0.00 0.00 56.01 55.79 3kg6 n LEU 1941Cb 0.37 -2.86 -0.15 0.00 -2.33 0.00 0.00 43.42 38.45 3kg6 n LEU 1941CO 0.64 -0.22 -0.56 -0.89 -1.33 0.00 0.00 177.39 175.03 3kg6 s THR 1942N -2.99 1.99 0.06 -5.08 2.01 -1.11 -1.67 115.64 108.85 3kg6 s THR 1942Ca 0.00 -1.19 -0.07 0.00 0.31 0.00 0.00 61.69 60.74 3kg6 s THR 1942Cb 0.00 -1.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 3kg6 s THR 1942CO 0.00 0.45 0.13 0.00 -0.69 0.00 0.00 174.62 174.50 3kg6 s ALA 1943N -0.69 -0.07 -0.06 7.40 0.00 -0.26 -2.38 121.76 125.71 3kg6 s ALA 1943Ca 0.10 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 3kg6 s ALA 1943Cb -0.10 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 3kg6 s ALA 1943CO 0.00 -0.42 0.05 -0.80 0.00 0.00 0.00 175.76 174.59 3kg6 s ASN 1944N -2.62 5.58 -0.01 0.00 0.01 -0.24 -0.35 114.94 117.31 3kg6 s ASN 1944Ca 0.02 0.20 0.07 0.00 -0.71 0.00 0.00 52.86 52.43 3kg6 s ASN 1944Cb 0.03 -1.62 -0.02 0.00 0.41 0.00 0.00 41.25 40.05 3kg6 s ASN 1944CO -0.09 0.35 -0.21 -0.63 -1.51 0.00 0.00 177.10 175.01 3kg6 s ILE 1945N -1.02 1.66 0.04 0.60 1.01 -0.54 -0.48 121.20 122.47 3kg6 s ILE 1945Ca 0.17 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.99 3kg6 s ILE 1945Cb -0.12 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 3kg6 s ILE 1945CO 0.07 0.46 -0.23 -0.36 0.00 0.00 0.00 174.94 174.88 3kg6 s PHE 1946N -0.50 1.98 -0.18 3.97 0.08 0.66 -0.25 117.98 123.74 3kg6 s PHE 1946Ca 0.08 -0.38 -0.04 0.00 0.12 0.00 0.00 56.93 56.71 3kg6 s PHE 1946Cb -0.08 -1.20 -0.02 0.00 -0.57 0.00 0.00 43.02 41.15 3kg6 s PHE 1946CO -0.01 0.08 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.65 3kg6 s LEU 1947N -1.10 3.11 0.04 -0.37 1.43 0.24 -1.00 118.68 121.02 3kg6 s LEU 1947Ca 0.09 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 3kg6 s LEU 1947Cb -0.09 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 3kg6 s LEU 1947CO 0.01 0.09 -0.12 -0.69 0.23 0.00 0.00 176.35 175.88 3kg6 s VAL 1948N 0.80 0.94 0.95 -1.59 1.01 0.70 -0.03 120.40 123.19 3kg6 s VAL 1948Ca -0.01 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 60.88 3kg6 s VAL 1948Cb -0.15 -0.87 0.24 0.00 0.00 0.00 0.00 36.38 35.60 3kg6 s VAL 1948CO 0.02 -0.05 0.73 -0.67 0.00 0.00 0.00 175.10 175.12 3kg6 n ASP 1949N 1.93 -2.44 0.12 3.32 -0.08 -0.15 -0.77 116.55 118.48 3kg6 n ASP 1949Ca -0.18 -0.85 -0.02 0.00 -1.51 0.00 0.00 54.79 52.22 3kg6 n ASP 1949Cb 0.55 -0.72 0.20 0.00 2.34 0.00 0.00 41.12 43.49 3kg6 n ASP 1949CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 3kg6 h ASN 1950N -2.59 0.14 0.17 1.67 2.35 -1.91 -3.24 115.58 112.17 3kg6 h ASN 1950Ca -0.29 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 3kg6 h ASN 1950Cb 0.92 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.25 3kg6 h ASN 1950CO 0.19 0.63 -0.17 0.00 -1.65 0.00 0.00 177.43 176.43 3kg6 n GLN 1951N -3.93 1.07 0.00 0.81 3.00 -1.26 -4.93 117.38 112.14 3kg6 n GLN 1951Ca -0.02 -0.60 0.00 0.00 -0.01 0.00 0.00 57.00 56.37 3kg6 n GLN 1951Cb 0.55 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.30 3kg6 n GLN 1951CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kg6 n GLY 1952N 1.28 0.30 3.68 1.08 0.00 -1.22 -4.86 105.19 105.45 3kg6 n GLY 1952Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3kg6 n GLY 1952CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kg6 s THR 1953N -2.00 3.09 -0.19 2.61 -4.23 -1.26 -1.75 115.64 111.92 3kg6 s THR 1953Ca 0.00 0.37 -0.29 0.00 -1.18 0.00 0.00 61.69 60.59 3kg6 s THR 1953Cb 0.00 -3.24 -0.03 0.00 1.34 0.00 0.00 72.50 70.57 3kg6 s THR 1953CO 0.00 -0.02 1.61 -0.69 -0.54 0.00 0.00 174.62 174.99 3kg6 s VAL 1954N 3.42 3.69 -0.20 2.29 1.01 0.05 -0.98 120.40 129.68 3kg6 s VAL 1954Ca 0.78 0.80 -0.11 0.00 0.00 0.00 0.00 61.98 63.44 3kg6 s VAL 1954Cb -0.40 -3.66 -0.20 0.00 0.00 0.00 0.00 36.38 32.12 3kg6 s VAL 1954CO 0.34 -0.24 0.09 0.18 0.00 0.00 0.00 175.10 175.48 3kg6 n LEU 1955N 8.16 2.32 -4.04 3.92 4.77 0.96 -4.75 117.00 128.33 3kg6 n LEU 1955Ca 0.18 0.25 -0.17 0.00 -0.03 0.00 0.00 56.01 56.24 3kg6 n LEU 1955Cb 0.45 -0.98 -0.13 0.00 -2.33 0.00 0.00 43.42 40.42 3kg6 n LEU 1955CO 0.64 0.63 -0.42 -0.69 -1.33 0.00 0.00 177.39 176.22 3kg6 s VAL 1956N -2.48 0.67 -0.05 4.08 1.01 -0.99 -0.19 120.40 122.45 3kg6 s VAL 1956Ca -0.29 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 3kg6 s VAL 1956Cb 0.08 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.86 3kg6 s VAL 1956CO 0.63 -0.04 -0.01 -0.70 0.00 0.00 0.00 175.10 174.98 3kg6 s GLU 1957N -0.80 0.56 -0.17 2.72 2.12 -0.21 -0.59 118.70 122.34 3kg6 s GLU 1957Ca -0.01 0.04 -0.01 0.00 0.36 0.00 0.00 54.97 55.35 3kg6 s GLU 1957Cb -0.06 -0.77 -0.00 0.00 0.26 0.00 0.00 34.13 33.55 3kg6 s GLU 1957CO 0.00 -0.19 -0.13 -0.51 -0.54 0.00 0.00 175.26 173.89 3kg6 s LEU 1958N 1.38 2.55 -0.19 2.70 1.02 0.66 -1.21 118.68 125.59 3kg6 s LEU 1958Ca -0.04 -0.45 -0.06 0.00 0.02 0.00 0.00 54.13 53.59 3kg6 s LEU 1958Cb -0.13 -1.59 -0.03 0.00 0.02 0.00 0.00 46.19 44.45 3kg6 s LEU 1958CO -0.02 0.07 0.03 -1.61 0.02 0.00 0.00 176.35 174.84 3kg6 s GLU 1959N 0.93 3.81 -0.47 1.70 2.02 -0.21 -1.46 118.70 125.01 3kg6 s GLU 1959Ca -0.03 -0.43 -0.02 0.00 0.02 0.00 0.00 54.97 54.52 3kg6 s GLU 1959Cb -0.15 -3.15 -0.02 0.00 0.10 0.00 0.00 34.13 30.91 3kg6 s GLU 1959CO -0.01 0.15 0.41 0.41 0.02 0.00 0.00 175.26 176.24 3kg6 n GLY 1960N 3.87 0.04 3.66 -1.39 0.00 -1.15 -1.43 105.19 108.78 3kg6 n GLY 1960Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 3kg6 n GLY 1960CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kg6 s LEU 1961N -3.99 4.08 -0.15 0.99 2.96 0.53 -2.17 118.68 120.92 3kg6 s LEU 1961Ca 0.14 1.39 -0.05 0.00 -0.22 0.00 0.00 54.13 55.38 3kg6 s LEU 1961Cb -0.02 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 3kg6 s LEU 1961CO 0.32 -0.74 0.02 -0.60 -1.32 0.00 0.00 176.35 174.03 3kg6 s ARG 1962N 3.38 3.67 0.02 1.98 3.52 0.48 -1.10 118.95 130.90 3kg6 s ARG 1962Ca 0.47 -0.40 0.05 0.00 -0.13 0.00 0.00 55.73 55.72 3kg6 s ARG 1962Cb -0.16 -3.04 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 3kg6 s ARG 1962CO 0.10 0.37 -0.13 0.14 -0.81 0.00 0.00 175.30 174.96 3kg6 s VAL 1963N 0.07 3.16 0.27 7.11 -7.23 -0.67 0.21 120.40 123.32 3kg6 s VAL 1963Ca 0.03 -0.97 0.06 0.00 -1.81 0.00 0.00 61.98 59.28 3kg6 s VAL 1963Cb -0.13 -2.34 -0.06 0.00 0.56 0.00 0.00 36.38 34.42 3kg6 s VAL 1963CO 0.02 0.39 -0.03 -0.75 -0.31 0.00 0.00 175.10 174.41 3kg6 s LYS 1964N -1.35 1.51 -0.11 4.82 2.20 0.16 -4.86 119.74 122.10 3kg6 s LYS 1964Ca 0.15 -1.77 -0.17 0.00 -0.36 0.00 0.00 55.97 53.82 3kg6 s LYS 1964Cb -0.11 -1.00 -0.04 0.00 -1.51 0.00 0.00 37.83 35.17 3kg6 s LYS 1964CO 0.06 -0.02 0.45 0.08 -0.36 0.00 0.00 175.35 175.55 3kg6 s VAL 1965N -3.14 5.19 -2.22 4.02 1.01 -1.26 -0.31 120.40 123.69 3kg6 s VAL 1965Ca 0.30 0.89 0.18 0.00 0.00 0.00 0.00 61.98 63.35 3kg6 s VAL 1965Cb 0.05 -3.78 0.14 0.00 0.00 0.00 0.00 36.38 32.78 3kg6 s VAL 1965CO 0.11 0.36 1.06 0.41 0.00 0.00 0.00 175.10 177.04