#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 2.70 0.19 5.41 0.00 -1.26 -5.00 121.76 123.81 3kg6 s ALA 1686Ca 0.00 -0.34 -0.33 0.00 0.00 0.00 0.00 51.96 51.29 3kg6 s ALA 1686Cb 0.00 -3.04 -0.14 0.00 0.00 0.00 0.00 23.12 19.94 3kg6 s ALA 1686CO 0.00 -1.34 1.36 1.58 0.00 0.00 0.00 175.76 177.36 3kg6 n HIS 1687N -3.15 1.88 0.27 0.00 -0.00 -1.26 -4.86 115.22 108.09 3kg6 n HIS 1687Ca 0.07 0.49 0.14 0.00 0.46 0.00 0.00 57.72 58.88 3kg6 n HIS 1687Cb 0.57 -2.41 0.73 0.00 -0.12 0.00 0.00 29.99 28.77 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 4.29 0.00 0.00 1.57 0.11 -1.94 -0.72 132.00 135.31 3kg6 h PRO 1688Ca -0.45 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.40 3kg6 h PRO 1688Cb 1.30 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.36 3kg6 h PRO 1688CO 0.76 0.11 -1.99 1.28 -0.21 0.00 0.00 178.00 177.95 3kg6 n LEU 1689N -3.53 2.07 -0.04 2.35 4.77 -1.26 -4.58 117.00 116.77 3kg6 n LEU 1689Ca -0.01 -0.07 -0.16 0.00 -0.03 0.00 0.00 56.01 55.74 3kg6 n LEU 1689Cb 0.25 -0.32 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 3kg6 n LEU 1689CO 0.29 0.66 0.36 0.25 -1.33 0.00 0.00 177.39 177.62 3kg6 h LEU 1690N 0.00 0.85 0.00 2.23 5.85 -1.90 -3.42 115.31 118.92 3kg6 h LEU 1690Ca -0.39 -0.60 0.02 0.00 0.84 0.00 0.00 57.88 57.76 3kg6 h LEU 1690Cb 1.69 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 3kg6 h LEU 1690CO -0.04 1.30 -0.03 0.61 -0.34 0.00 0.00 178.44 179.95 3kg6 n GLY 1691N 0.59 -1.97 3.84 3.75 0.00 -0.28 -3.24 105.19 107.87 3kg6 n GLY 1691Ca -0.07 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.36 4.10 0.28 1.61 2.02 -0.65 -4.50 118.70 121.21 3kg6 s GLU 1692Ca 0.00 0.89 -0.29 0.00 0.02 0.00 0.00 54.97 55.59 3kg6 s GLU 1692Cb 0.00 -2.30 -0.10 0.00 0.10 0.00 0.00 34.13 31.83 3kg6 s GLU 1692CO 0.00 0.05 1.26 0.21 0.02 0.00 0.00 175.26 176.80 3kg6 s LYS 1693N -3.14 4.43 -0.24 1.61 2.20 -1.26 -0.70 119.74 122.62 3kg6 s LYS 1693Ca 0.58 2.08 -0.12 0.00 -0.36 0.00 0.00 55.97 58.16 3kg6 s LYS 1693Cb -0.10 -3.13 -0.05 0.00 -1.51 0.00 0.00 37.83 33.05 3kg6 s LYS 1693CO 0.16 -0.12 0.22 0.42 -0.36 0.00 0.00 175.35 175.67 3kg6 s ILE 1694N -0.78 5.31 -0.50 5.43 1.01 0.62 -4.91 121.20 127.37 3kg6 s ILE 1694Ca 0.50 0.30 -0.20 0.00 0.00 0.00 0.00 60.65 61.24 3kg6 s ILE 1694Cb -0.37 -3.56 0.05 0.00 0.01 0.00 0.00 42.46 38.59 3kg6 s ILE 1694CO 0.46 0.30 0.69 0.20 0.00 0.00 0.00 174.94 176.59 3kg6 s ASN 1695N 1.24 6.27 0.00 3.58 0.01 -1.26 -4.52 114.94 120.25 3kg6 s ASN 1695Ca 0.10 -0.67 0.04 0.00 -0.71 0.00 0.00 52.86 51.61 3kg6 s ASN 1695Cb -0.14 -2.33 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 3kg6 s ASN 1695CO 0.07 -0.94 -0.09 -0.76 -1.51 0.00 0.00 177.10 173.87 3kg6 s LEU 1696N 2.94 3.05 0.11 0.60 1.43 -1.26 -5.12 118.68 120.43 3kg6 s LEU 1696Ca 0.20 -0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 52.93 3kg6 s LEU 1696Cb -0.17 -1.74 -0.07 0.00 0.03 0.00 0.00 46.19 44.24 3kg6 s LEU 1696CO 0.15 0.29 0.58 0.00 0.23 0.00 0.00 176.35 177.59 3kg6 s ALA 1697N -0.95 3.57 0.00 4.21 0.00 -1.26 -4.28 121.76 123.05 3kg6 s ALA 1697Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3kg6 s ALA 1697Cb -0.11 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.39 3kg6 s ALA 1697CO 0.06 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.64 3kg6 n GLY 1698N 1.35 2.82 3.65 0.00 0.00 -1.26 -4.98 105.19 106.77 3kg6 n GLY 1698Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3kg6 n GLY 1698CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kg6 s ILE 1699N -1.07 3.76 0.00 -0.61 -1.09 -1.26 -4.94 121.20 116.00 3kg6 s ILE 1699Ca 0.00 0.90 0.00 0.00 -2.23 0.00 0.00 60.65 59.32 3kg6 s ILE 1699Cb 0.00 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 3kg6 s ILE 1699CO 0.00 -0.14 0.00 1.21 -1.23 0.00 0.00 174.94 174.78 3kg6 n GLU 1700N 7.15 0.00 -1.92 2.79 4.07 -1.26 -4.70 120.64 126.77 3kg6 n GLU 1700Ca 0.17 0.19 -0.37 0.00 -0.06 0.00 0.00 57.16 57.08 3kg6 n GLU 1700Cb 0.44 -0.66 0.01 0.00 -0.06 0.00 0.00 31.44 31.18 3kg6 n GLU 1700CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3kg6 n ASP 1701N -2.16 7.30 -3.63 4.31 8.00 -1.26 -4.90 116.55 124.20 3kg6 n ASP 1701Ca 0.00 -3.65 -0.13 0.00 0.71 0.00 0.00 54.79 51.73 3kg6 n ASP 1701Cb 0.00 -1.13 -0.07 0.00 -0.02 0.00 0.00 41.12 39.90 3kg6 n ASP 1701CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3kg6 s GLN 1702N -3.45 0.80 0.11 -1.24 0.74 -1.26 -1.34 119.66 114.03 3kg6 s GLN 1702Ca 0.52 1.03 0.10 0.00 0.05 0.00 0.00 55.36 57.06 3kg6 s GLN 1702Cb 0.38 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.81 3kg6 s GLN 1702CO -0.32 -0.11 -0.26 -1.01 -0.55 0.00 0.00 175.29 173.04 3kg6 s HIS 1703N 0.62 2.21 -0.02 1.67 3.76 0.11 -4.99 115.29 118.65 3kg6 s HIS 1703Ca -0.02 -0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.49 3kg6 s HIS 1703Cb -0.05 -1.21 0.02 0.00 1.11 0.00 0.00 32.58 32.44 3kg6 s HIS 1703CO -0.03 0.29 0.04 0.50 -0.85 0.00 0.00 174.74 174.69 3kg6 s ARG 1704N -1.93 0.01 0.12 1.40 3.52 -1.26 -0.63 118.95 120.18 3kg6 s ARG 1704Ca 0.12 0.14 0.06 0.00 -0.13 0.00 0.00 55.73 55.92 3kg6 s ARG 1704Cb -0.10 -0.11 -0.04 0.00 -1.56 0.00 0.00 34.95 33.14 3kg6 s ARG 1704CO 0.05 -0.09 -0.14 -0.06 -0.81 0.00 0.00 175.30 174.25 3kg6 s PHE 1705N 0.56 1.42 -0.08 5.12 0.08 -0.36 -0.27 117.98 124.45 3kg6 s PHE 1705Ca -0.05 -0.55 -0.04 0.00 0.12 0.00 0.00 56.93 56.42 3kg6 s PHE 1705Cb -0.06 -0.74 0.04 0.00 -0.57 0.00 0.00 43.02 41.68 3kg6 s PHE 1705CO -0.02 0.15 0.19 -1.14 -0.10 0.00 0.00 175.22 174.30 3kg6 s GLN 1706N -2.66 0.14 0.28 0.44 0.74 0.12 -0.95 119.66 117.77 3kg6 s GLN 1706Ca 0.09 0.43 0.06 0.00 0.05 0.00 0.00 55.36 55.99 3kg6 s GLN 1706Cb -0.05 -0.15 -0.06 0.00 1.10 0.00 0.00 33.01 33.85 3kg6 s GLN 1706CO 0.03 -0.16 -0.04 -1.54 -0.55 0.00 0.00 175.29 173.03 3kg6 s SER 1707N 1.18 2.65 -0.20 6.67 1.04 -0.28 -1.63 113.70 123.12 3kg6 s SER 1707Ca -0.09 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.14 3kg6 s SER 1707Cb -0.11 -0.15 0.05 0.00 0.10 0.00 0.00 66.02 65.91 3kg6 s SER 1707CO -0.07 -0.38 -0.07 -0.31 0.98 0.00 0.00 173.24 173.39 3kg6 s TYR 1708N -3.07 2.19 -0.07 5.02 2.02 -1.26 -1.46 117.35 120.71 3kg6 s TYR 1708Ca 0.30 -1.49 0.05 0.00 -0.37 0.00 0.00 57.07 55.56 3kg6 s TYR 1708Cb 0.04 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 40.08 3kg6 s TYR 1708CO 0.12 -0.72 -0.23 0.42 -1.57 0.00 0.00 175.55 173.57 3kg6 s ILE 1709N 1.47 2.20 0.10 2.71 1.01 0.24 -4.84 121.20 124.08 3kg6 s ILE 1709Ca -0.02 -1.00 -0.05 0.00 0.00 0.00 0.00 60.65 59.58 3kg6 s ILE 1709Cb -0.17 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 3kg6 s ILE 1709CO -0.07 0.57 0.11 -0.83 0.00 0.00 0.00 174.94 174.71 3kg6 s GLY 1710N -0.07 0.47 0.53 6.18 0.00 0.18 0.28 107.32 114.88 3kg6 s GLY 1710Ca -0.06 -1.03 0.30 0.00 0.00 0.00 0.00 44.72 43.93 3kg6 s GLY 1710CO 0.05 -1.10 1.91 0.00 0.00 0.00 0.00 173.10 173.96 3kg6 h ALA 1711N 2.87 2.77 -0.36 3.20 0.00 -1.83 0.14 119.26 126.05 3kg6 h ALA 1711Ca -0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3kg6 h ALA 1711Cb 1.18 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3kg6 h ALA 1711CO 0.59 -1.00 0.00 0.39 0.00 0.00 0.00 179.25 179.22 3kg6 n GLU 1712N -4.30 2.46 -3.30 0.00 1.02 -1.26 -2.37 120.64 112.90 3kg6 n GLU 1712Ca 0.17 -2.04 -0.10 0.00 -0.02 0.00 0.00 57.16 55.17 3kg6 n GLU 1712Cb 0.89 -1.33 -0.05 0.00 -0.02 0.00 0.00 31.44 30.93 3kg6 n GLU 1712CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3kg6 s SER 1713N -1.04 0.18 0.59 1.62 0.15 0.48 -3.24 113.70 112.44 3kg6 s SER 1713Ca 0.27 -1.13 -0.17 0.00 0.70 0.00 0.00 55.95 55.63 3kg6 s SER 1713Cb 0.15 1.10 -0.03 0.00 -1.71 0.00 0.00 66.02 65.52 3kg6 s SER 1713CO 0.20 -0.25 1.09 -2.84 1.20 0.00 0.00 173.24 172.64 3kg6 s PRO 1714N 1.75 3.20 0.44 5.44 0.02 -1.25 -0.65 135.00 143.95 3kg6 s PRO 1714Ca 0.15 1.40 0.13 0.00 0.02 0.00 0.00 61.00 62.71 3kg6 s PRO 1714Cb -0.11 -2.00 1.04 0.00 0.02 0.00 0.00 34.50 33.44 3kg6 s PRO 1714CO -0.09 -0.94 2.01 0.78 -0.33 0.00 0.00 177.00 178.43 3kg6 h GLY 1715N 0.63 0.51 2.00 0.52 0.00 -1.78 -2.87 103.07 102.08 3kg6 h GLY 1715Ca -0.48 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3kg6 h GLY 1715CO 0.56 0.11 0.00 0.10 0.00 0.00 0.00 176.54 177.31 3kg6 h TYR 1716N 0.38 0.00 -0.61 5.60 -0.00 -1.91 -2.90 116.97 117.53 3kg6 h TYR 1716Ca 0.24 0.00 0.05 0.00 -0.00 0.00 0.00 58.73 59.02 3kg6 h TYR 1716Cb 0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.12 3kg6 h TYR 1716CO -0.00 0.00 0.41 -0.07 -0.00 0.00 0.00 178.16 178.50 3kg6 h LEU 1717N 0.00 0.56 -2.52 0.10 3.38 -1.68 -0.64 115.31 114.51 3kg6 h LEU 1717Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kg6 h LEU 1717Cb 0.34 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kg6 h LEU 1717CO 0.00 0.37 0.00 -1.13 0.09 0.00 0.00 178.44 177.77 3kg6 h ASN 1718N 0.65 0.00 -0.30 -0.43 -1.24 -1.25 -2.85 115.58 110.17 3kg6 h ASN 1718Ca 0.26 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.27 3kg6 h ASN 1718Cb 0.20 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.25 3kg6 h ASN 1718CO -0.08 0.00 0.00 1.41 -1.29 0.00 0.00 177.43 177.47 3kg6 n HIS 1719N -3.03 0.49 -3.57 0.67 8.25 -0.25 -4.35 115.22 113.43 3kg6 n HIS 1719Ca -0.02 -0.22 -0.28 0.00 -0.26 0.00 0.00 57.72 56.94 3kg6 n HIS 1719Cb 0.13 -0.05 -0.11 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.61 1.89 -0.15 4.41 5.65 -1.07 -0.14 115.29 124.27 3kg6 s HIS 1720Ca 0.21 -2.61 -0.05 0.00 0.25 0.00 0.00 55.06 52.86 3kg6 s HIS 1720Cb 0.12 -1.53 -0.04 0.00 -1.18 0.00 0.00 32.58 29.95 3kg6 s HIS 1720CO 0.13 -0.74 0.02 -0.65 -0.65 0.00 0.00 174.74 172.85 3kg6 s GLN 1721N -0.33 3.65 -0.21 2.88 -0.21 -1.03 -2.29 119.66 122.13 3kg6 s GLN 1721Ca 0.29 -0.40 0.01 0.00 0.02 0.00 0.00 55.36 55.28 3kg6 s GLN 1721Cb -0.02 -3.04 0.04 0.00 1.00 0.00 0.00 33.01 30.99 3kg6 s GLN 1721CO -0.16 0.38 -0.13 0.08 -2.12 0.00 0.00 175.29 173.34 3kg6 s VAL 1722N 0.03 1.88 -1.42 1.09 1.01 0.91 -0.52 120.40 123.38 3kg6 s VAL 1722Ca 0.04 -1.13 -0.11 0.00 0.00 0.00 0.00 61.98 60.78 3kg6 s VAL 1722Cb -0.13 -1.89 0.03 0.00 0.00 0.00 0.00 36.38 34.40 3kg6 s VAL 1722CO 0.02 0.23 1.12 0.49 0.00 0.00 0.00 175.10 176.95 3kg6 n PHE 1723N 4.61 -2.70 -1.02 5.22 3.72 0.20 -1.85 117.46 125.63 3kg6 n PHE 1723Ca -0.16 0.98 -0.01 0.00 -0.05 0.00 0.00 57.45 58.21 3kg6 n PHE 1723Cb 0.46 -4.70 -0.00 0.00 -0.94 0.00 0.00 39.48 34.30 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 -1.91 0.33 3.53 1.37 0.00 -1.26 -5.01 105.19 102.24 3kg6 n GLY 1724Ca 0.02 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.97 3.11 -0.30 1.61 1.02 -0.77 -5.07 119.74 118.36 3kg6 s LYS 1725Ca 0.00 -0.56 -0.29 0.00 0.02 0.00 0.00 55.97 55.14 3kg6 s LYS 1725Cb 0.00 -2.69 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 3kg6 s LYS 1725CO 0.00 0.48 1.42 0.08 -0.92 0.00 0.00 175.35 176.41 3kg6 s VAL 1726N -0.30 3.95 -0.17 3.17 1.01 -1.26 -0.06 120.40 126.74 3kg6 s VAL 1726Ca 0.04 1.05 -0.03 0.00 0.00 0.00 0.00 61.98 63.04 3kg6 s VAL 1726Cb -0.13 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 3kg6 s VAL 1726CO 0.02 -0.47 -0.04 -0.76 0.00 0.00 0.00 175.10 173.85 3kg6 s LEU 1727N 4.88 3.13 0.09 3.92 1.02 -0.97 -0.88 118.68 129.87 3kg6 s LEU 1727Ca 0.62 -0.20 -0.32 0.00 0.02 0.00 0.00 54.13 54.25 3kg6 s LEU 1727Cb -0.19 -1.76 -0.11 0.00 0.02 0.00 0.00 46.19 44.15 3kg6 s LEU 1727CO 0.27 0.12 1.82 0.33 0.02 0.00 0.00 176.35 178.91 3kg6 n PHE 1728N 3.84 2.52 -2.08 0.29 7.35 -0.27 -4.84 117.46 124.26 3kg6 n PHE 1728Ca -0.18 -0.08 -0.35 0.00 -0.76 0.00 0.00 57.45 56.08 3kg6 n PHE 1728Cb 0.52 -2.70 0.02 0.00 0.35 0.00 0.00 39.48 37.67 3kg6 n PHE 1728CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3kg6 s PRO 1729N 2.78 3.10 0.33 -7.13 0.04 -1.26 -4.66 135.00 128.21 3kg6 s PRO 1729Ca 0.84 1.70 0.03 0.00 0.04 0.00 0.00 61.00 63.61 3kg6 s PRO 1729Cb -0.54 -1.96 0.59 0.00 0.04 0.00 0.00 34.50 32.63 3kg6 s PRO 1729CO 0.40 -1.07 1.89 0.77 0.04 0.00 0.00 177.00 179.02 3kg6 h SER 1730N 0.93 0.55 0.01 6.66 0.02 -1.94 -2.17 113.55 117.61 3kg6 h SER 1730Ca -0.50 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.36 3kg6 h SER 1730Cb 1.28 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 3kg6 h SER 1730CO 0.56 0.58 -0.00 0.71 -1.14 0.00 0.00 176.83 177.53 3kg6 h THR 1731N 0.58 0.88 -0.63 -2.27 1.35 -1.92 -1.35 112.91 109.55 3kg6 h THR 1731Ca 0.13 -0.01 -0.01 0.00 -0.55 0.00 0.00 66.41 65.96 3kg6 h THR 1731Cb 0.27 1.01 -0.03 0.00 -1.73 0.00 0.00 68.15 67.67 3kg6 h THR 1731CO 0.00 0.00 0.33 1.23 -0.25 0.00 0.00 175.52 176.84 3kg6 h GLY 1732N 0.01 0.93 1.14 5.82 0.00 -1.68 -1.36 103.07 107.93 3kg6 h GLY 1732Ca -0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 3kg6 h GLY 1732CO 0.00 0.40 -0.05 -0.97 0.00 0.00 0.00 176.54 175.91 3kg6 h TYR 1733N 0.87 1.12 -0.03 5.60 0.05 -1.32 -1.92 116.97 121.34 3kg6 h TYR 1733Ca 0.22 -0.21 -0.08 0.00 0.05 0.00 0.00 58.73 58.71 3kg6 h TYR 1733Cb 0.04 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.48 3kg6 h TYR 1733CO 0.01 1.02 -0.35 -0.07 -1.05 0.00 0.00 178.16 177.71 3kg6 h LEU 1734N 0.92 0.06 -0.15 3.88 3.38 -1.38 -2.29 115.31 119.74 3kg6 h LEU 1734Ca 0.16 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3kg6 h LEU 1734Cb 0.61 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3kg6 h LEU 1734CO 0.04 0.42 -0.11 -0.08 0.09 0.00 0.00 178.44 178.79 3kg6 h GLU 1735N 0.06 0.34 -0.20 1.13 4.57 -1.04 -1.77 114.58 117.67 3kg6 h GLU 1735Ca 0.00 -0.17 0.04 0.00 -1.18 0.00 0.00 59.36 58.06 3kg6 h GLU 1735Cb 0.66 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 3kg6 h GLU 1735CO 0.05 0.70 -0.05 0.82 -1.18 0.00 0.00 179.01 179.35 3kg6 h ILE 1736N -0.01 0.80 -0.34 2.32 2.04 -1.20 0.16 117.51 121.28 3kg6 h ILE 1736Ca 0.03 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.91 3kg6 h ILE 1736Cb 0.62 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3kg6 h ILE 1736CO 0.03 0.00 0.19 0.00 0.00 0.00 0.00 178.15 178.37 3kg6 h ALA 1737N 1.20 0.42 -0.71 1.87 0.00 -1.47 -0.24 119.26 120.34 3kg6 h ALA 1737Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kg6 h ALA 1737Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3kg6 h ALA 1737CO -0.20 -0.17 0.40 0.00 0.00 0.00 0.00 179.25 179.27 3kg6 h ALA 1738N 1.16 1.37 -0.29 0.00 0.00 -0.87 0.33 119.26 120.96 3kg6 h ALA 1738Ca 0.14 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3kg6 h ALA 1738Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3kg6 h ALA 1738CO -0.08 0.53 -0.23 0.77 0.00 0.00 0.00 179.25 180.24 3kg6 h SER 1739N 0.98 0.70 -0.98 0.00 0.02 -0.32 -1.77 113.55 112.18 3kg6 h SER 1739Ca 0.25 -0.45 0.02 0.00 -0.84 0.00 0.00 61.79 60.77 3kg6 h SER 1739Cb 0.01 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.30 3kg6 h SER 1739CO -0.04 1.00 0.65 0.00 -1.14 0.00 0.00 176.83 177.30 3kg6 h ALA 1740N 0.72 1.32 -0.21 3.77 0.00 -0.78 -1.32 119.26 122.77 3kg6 h ALA 1740Ca 0.05 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kg6 h ALA 1740Cb 0.78 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3kg6 h ALA 1740CO 0.06 0.61 -0.01 0.78 0.00 0.00 0.00 179.25 180.69 3kg6 h GLY 1741N 1.30 0.19 0.99 0.00 0.00 -0.68 -1.50 103.07 103.37 3kg6 h GLY 1741Ca 0.37 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.75 3kg6 h GLY 1741CO -0.09 -0.05 0.55 1.70 0.00 0.00 0.00 176.54 178.65 3kg6 h LYS 1742N 0.05 1.09 0.00 4.80 3.64 -1.04 -1.27 116.57 123.84 3kg6 h LYS 1742Ca 0.10 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3kg6 h LYS 1742Cb 0.13 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3kg6 h LYS 1742CO -0.18 0.72 -0.19 1.03 -2.27 0.00 0.00 179.45 178.56 3kg6 h SER 1743N 1.12 0.00 0.00 4.20 0.87 -0.77 -3.36 113.55 115.62 3kg6 h SER 1743Ca 0.31 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.50 3kg6 h SER 1743Cb -0.11 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.78 3kg6 h SER 1743CO -0.07 0.19 -2.33 0.18 -0.53 0.00 0.00 176.83 174.26 3kg6 n LEU 1744N -4.32 2.66 -4.48 2.23 4.77 -0.61 -4.83 117.00 112.43 3kg6 n LEU 1744Ca -0.02 -0.02 -0.43 0.00 -0.03 0.00 0.00 56.01 55.51 3kg6 n LEU 1744Cb 0.25 -0.79 -0.04 0.00 -2.33 0.00 0.00 43.42 40.51 3kg6 n LEU 1744CO 0.36 0.79 0.84 -0.36 -1.33 0.00 0.00 177.39 177.70 3kg6 s PHE 1745N -2.46 2.62 -0.48 -1.77 0.08 -0.51 -4.92 117.98 110.54 3kg6 s PHE 1745Ca -0.32 -0.36 -0.04 0.00 0.12 0.00 0.00 56.93 56.33 3kg6 s PHE 1745Cb 0.09 -4.32 0.04 0.00 -0.57 0.00 0.00 43.02 38.26 3kg6 s PHE 1745CO 0.51 -1.68 2.82 0.25 -0.10 0.00 0.00 175.22 177.01 3kg6 n THR 1746N 6.06 3.44 -4.37 0.64 -2.24 -1.26 -4.82 114.28 111.72 3kg6 n THR 1746Ca -0.02 -2.97 -0.21 0.00 -2.27 0.00 0.00 64.05 58.59 3kg6 n THR 1746Cb 0.46 -1.67 -0.08 0.00 -2.10 0.00 0.00 70.33 66.94 3kg6 n THR 1746CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kg6 s SER 1747N 0.50 2.00 0.00 3.42 1.04 -1.26 -5.04 113.70 114.35 3kg6 s SER 1747Ca 0.59 -1.68 0.25 0.00 0.48 0.00 0.00 55.95 55.59 3kg6 s SER 1747Cb 0.36 0.51 0.75 0.00 0.10 0.00 0.00 66.02 67.74 3kg6 s SER 1747CO -0.20 -0.98 1.57 1.67 0.98 0.00 0.00 173.24 176.29 3kg6 n GLN 1748N -0.71 1.89 -2.32 4.02 7.27 -1.26 -4.96 117.38 121.31 3kg6 n GLN 1748Ca 0.01 -1.31 -0.36 0.00 0.07 0.00 0.00 57.00 55.41 3kg6 n GLN 1748Cb 0.64 -1.46 -0.01 0.00 2.41 0.00 0.00 30.24 31.82 3kg6 n GLN 1748CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 3kg6 s GLU 1749N -1.91 3.74 0.09 3.69 2.02 -1.26 -4.82 118.70 120.25 3kg6 s GLU 1749Ca 0.35 1.67 -0.31 0.00 0.02 0.00 0.00 54.97 56.70 3kg6 s GLU 1749Cb 0.20 -2.31 -0.09 0.00 0.10 0.00 0.00 34.13 32.03 3kg6 s GLU 1749CO 0.31 -0.54 1.61 -1.14 0.02 0.00 0.00 175.26 175.52 3kg6 s GLN 1750N -2.84 4.21 -0.06 1.61 2.00 -0.71 -4.86 119.66 119.01 3kg6 s GLN 1750Ca 0.65 2.31 -0.26 0.00 -2.00 0.00 0.00 55.36 56.06 3kg6 s GLN 1750Cb -0.26 -3.48 -0.03 0.00 0.80 0.00 0.00 33.01 30.05 3kg6 s GLN 1750CO 0.31 -0.69 0.83 0.08 -0.50 0.00 0.00 175.29 175.32 3kg6 s VAL 1751N 2.21 4.95 -0.20 1.34 1.01 -1.26 -1.92 120.40 126.53 3kg6 s VAL 1751Ca 0.72 1.71 0.01 0.00 0.00 0.00 0.00 61.98 64.43 3kg6 s VAL 1751Cb -0.40 -4.16 0.04 0.00 0.00 0.00 0.00 36.38 31.85 3kg6 s VAL 1751CO 0.32 0.17 -0.13 -0.69 0.00 0.00 0.00 175.10 174.77 3kg6 s VAL 1752N 1.16 1.80 -0.06 2.92 1.01 0.51 -4.45 120.40 123.28 3kg6 s VAL 1752Ca 0.43 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 3kg6 s VAL 1752Cb -0.19 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3kg6 s VAL 1752CO 0.20 0.27 0.67 -0.69 0.00 0.00 0.00 175.10 175.55 3kg6 s VAL 1753N 1.34 5.03 0.08 2.92 1.01 -0.85 -1.64 120.40 128.30 3kg6 s VAL 1753Ca -0.00 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.37 3kg6 s VAL 1753Cb -0.16 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 3kg6 s VAL 1753CO -0.09 0.28 -0.05 -0.55 0.00 0.00 0.00 175.10 174.70 3kg6 s SER 1754N 0.63 0.83 -1.33 3.32 0.15 -0.24 -0.18 113.70 116.88 3kg6 s SER 1754Ca 0.36 -1.01 -0.17 0.00 0.70 0.00 0.00 55.95 55.83 3kg6 s SER 1754Cb -0.18 0.15 0.02 0.00 -1.71 0.00 0.00 66.02 64.30 3kg6 s SER 1754CO 0.17 -0.53 0.46 0.47 1.20 0.00 0.00 173.24 175.01 3kg6 n ASP 1755N 0.02 -2.22 -4.68 5.45 8.00 0.57 -0.91 116.55 122.78 3kg6 n ASP 1755Ca -0.13 -1.20 -0.39 0.00 0.71 0.00 0.00 54.79 53.78 3kg6 n ASP 1755Cb 0.61 -2.15 -0.06 0.00 -0.02 0.00 0.00 41.12 39.50 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 -3.84 5.09 -0.15 2.53 1.01 0.13 -4.17 120.40 121.00 3kg6 s VAL 1756Ca 0.27 1.10 -0.03 0.00 0.00 0.00 0.00 61.98 63.31 3kg6 s VAL 1756Cb -0.13 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 3kg6 s VAL 1756CO 0.95 0.20 -0.04 -1.81 0.00 0.00 0.00 175.10 174.40 3kg6 s ASP 1757N 0.99 4.77 -0.48 3.32 1.01 0.23 -1.88 116.67 124.63 3kg6 s ASP 1757Ca 0.28 -0.13 -0.14 0.00 0.71 0.00 0.00 52.55 53.27 3kg6 s ASP 1757Cb -0.16 -1.75 0.09 0.00 1.01 0.00 0.00 42.92 42.11 3kg6 s ASP 1757CO 0.11 0.18 0.39 -0.63 0.21 0.00 0.00 175.17 175.43 3kg6 s ILE 1758N 0.30 4.95 -0.03 0.77 1.01 -0.50 -1.46 121.20 126.23 3kg6 s ILE 1758Ca -0.04 -1.31 -0.08 0.00 0.00 0.00 0.00 60.65 59.23 3kg6 s ILE 1758Cb -0.14 -4.05 -0.29 0.00 0.01 0.00 0.00 42.46 37.98 3kg6 s ILE 1758CO 0.03 -0.66 0.72 -0.07 0.00 0.00 0.00 174.94 174.96 3kg6 h LEU 1759N 8.70 0.53 -7.16 2.97 3.38 -0.87 -3.45 115.31 119.41 3kg6 h LEU 1759Ca -0.27 -0.78 -0.08 0.00 0.09 0.00 0.00 57.88 56.84 3kg6 h LEU 1759Cb 1.10 -0.17 -0.23 0.00 0.09 0.00 0.00 40.66 41.44 3kg6 h LEU 1759CO 0.90 1.66 -0.12 -1.58 0.09 0.00 0.00 178.44 179.38 3kg6 s GLN 1760N -2.59 0.58 0.34 1.13 0.74 -1.13 -5.05 119.66 113.68 3kg6 s GLN 1760Ca -0.14 0.84 -0.28 0.00 0.05 0.00 0.00 55.36 55.84 3kg6 s GLN 1760Cb 0.06 0.19 -0.12 0.00 1.10 0.00 0.00 33.01 34.24 3kg6 s GLN 1760CO 0.85 -0.11 1.36 0.43 -0.55 0.00 0.00 175.29 177.27 3kg6 n SER 1761N 3.46 3.04 -4.48 6.67 7.64 -1.26 -4.62 113.62 124.07 3kg6 n SER 1761Ca -0.17 1.20 -0.43 0.00 1.01 0.00 0.00 58.87 60.48 3kg6 n SER 1761Cb 0.56 -1.51 -0.09 0.00 -1.01 0.00 0.00 64.21 62.16 3kg6 n SER 1761CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3kg6 s LEU 1762N -1.13 4.95 -0.24 -3.43 2.96 -1.26 -5.04 118.68 115.50 3kg6 s LEU 1762Ca 0.56 -0.76 -0.16 0.00 -0.22 0.00 0.00 54.13 53.55 3kg6 s LEU 1762Cb -0.55 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 43.85 3kg6 s LEU 1762CO 0.61 -0.49 0.44 -0.69 -1.32 0.00 0.00 176.35 174.90 3kg6 s VAL 1763N 1.88 5.15 -0.26 1.68 1.01 -1.26 -1.11 120.40 127.48 3kg6 s VAL 1763Ca 0.08 0.75 -0.16 0.00 0.00 0.00 0.00 61.98 62.65 3kg6 s VAL 1763Cb -0.18 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3kg6 s VAL 1763CO 0.12 0.17 0.40 -0.63 0.00 0.00 0.00 175.10 175.16 3kg6 s ILE 1764N 1.82 5.16 1.00 2.22 1.01 -0.06 -5.00 121.20 127.35 3kg6 s ILE 1764Ca 0.19 0.65 -0.12 0.00 0.00 0.00 0.00 60.65 61.37 3kg6 s ILE 1764Cb -0.15 -3.73 0.19 0.00 0.01 0.00 0.00 42.46 38.78 3kg6 s ILE 1764CO 0.09 0.15 1.08 -2.84 0.00 0.00 0.00 174.94 173.42 3kg6 s PRO 1765N 2.04 0.38 0.11 2.79 0.02 -1.26 -4.09 135.00 134.99 3kg6 s PRO 1765Ca 0.17 0.88 -0.16 0.00 0.02 0.00 0.00 61.00 61.91 3kg6 s PRO 1765Cb -0.16 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 3kg6 s PRO 1765CO 0.09 -2.86 1.55 1.49 -0.33 0.00 0.00 177.00 176.95 3kg6 h GLU 1766N -2.00 0.64 0.00 5.54 4.81 -1.98 -3.34 114.58 118.24 3kg6 h GLU 1766Ca -0.53 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 58.41 3kg6 h GLU 1766Cb 1.31 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 3kg6 h GLU 1766CO 0.52 0.75 -1.74 0.25 -0.73 0.00 0.00 179.01 178.06 3kg6 n THR 1767N -4.49 0.30 -2.99 0.32 -2.24 -1.26 -4.76 114.28 99.16 3kg6 n THR 1767Ca -0.02 -0.40 -0.33 0.00 -2.27 0.00 0.00 64.05 61.03 3kg6 n THR 1767Cb 0.28 -0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.35 3kg6 n THR 1767CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kg6 s GLU 1768N -2.77 4.15 -0.18 -0.78 2.02 -1.25 -5.02 118.70 114.87 3kg6 s GLU 1768Ca -0.06 0.90 -0.13 0.00 0.02 0.00 0.00 54.97 55.70 3kg6 s GLU 1768Cb 0.07 -2.40 -0.05 0.00 0.10 0.00 0.00 34.13 31.85 3kg6 s GLU 1768CO 0.58 0.12 0.27 0.42 0.02 0.00 0.00 175.26 176.66 3kg6 s ILE 1769N -1.99 5.32 -0.05 -1.63 -1.09 -1.26 -4.44 121.20 116.06 3kg6 s ILE 1769Ca 0.56 0.47 -0.14 0.00 -2.23 0.00 0.00 60.65 59.31 3kg6 s ILE 1769Cb -0.11 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 3kg6 s ILE 1769CO 0.16 0.38 0.38 -0.54 -1.23 0.00 0.00 174.94 174.09 3kg6 s LYS 1770N 0.60 3.98 -0.14 2.79 -0.14 0.14 -4.89 119.74 122.09 3kg6 s LYS 1770Ca 0.15 0.32 -0.20 0.00 -1.36 0.00 0.00 55.97 54.88 3kg6 s LYS 1770Cb -0.13 -3.28 -0.04 0.00 -1.68 0.00 0.00 37.83 32.71 3kg6 s LYS 1770CO 0.03 0.56 0.55 0.99 -0.76 0.00 0.00 175.35 176.72 3kg6 s THR 1771N -0.60 5.12 -0.18 2.17 2.01 -1.26 -0.60 115.64 122.30 3kg6 s THR 1771Ca 0.22 1.08 0.01 0.00 0.31 0.00 0.00 61.69 63.31 3kg6 s THR 1771Cb -0.15 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.50 3kg6 s THR 1771CO 0.11 0.25 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.42 3kg6 s VAL 1772N 1.03 1.96 -0.17 3.82 1.01 -0.54 -4.15 120.40 123.37 3kg6 s VAL 1772Ca 0.28 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 3kg6 s VAL 1772Cb -0.16 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 3kg6 s VAL 1772CO 0.12 0.47 -0.09 -1.58 0.00 0.00 0.00 175.10 174.02 3kg6 s GLN 1773N 1.32 3.38 -0.23 2.72 0.74 -0.79 -1.13 119.66 125.67 3kg6 s GLN 1773Ca 0.04 -0.66 -0.06 0.00 0.05 0.00 0.00 55.36 54.73 3kg6 s GLN 1773Cb -0.14 -2.81 -0.02 0.00 1.10 0.00 0.00 33.01 31.14 3kg6 s GLN 1773CO -0.12 0.02 0.04 0.99 -0.55 0.00 0.00 175.29 175.66 3kg6 s THR 1774N 0.88 4.10 -0.17 -0.34 2.01 -0.13 -0.93 115.64 121.07 3kg6 s THR 1774Ca -0.02 -0.25 -0.05 0.00 0.31 0.00 0.00 61.69 61.68 3kg6 s THR 1774Cb -0.15 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 3kg6 s THR 1774CO 0.00 0.38 0.00 -0.69 -0.69 0.00 0.00 174.62 173.62 3kg6 s VAL 1775N 1.40 4.19 -0.25 3.82 1.01 0.04 -1.22 120.40 129.39 3kg6 s VAL 1775Ca 0.05 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3kg6 s VAL 1775Cb -0.15 -2.87 0.07 0.00 0.00 0.00 0.00 36.38 33.43 3kg6 s VAL 1775CO 0.02 0.47 -0.05 -0.69 0.00 0.00 0.00 175.10 174.85 3kg6 s VAL 1776N 0.52 1.67 -0.03 2.92 1.01 0.20 -0.47 120.40 126.22 3kg6 s VAL 1776Ca -0.01 -1.39 -0.02 0.00 0.00 0.00 0.00 61.98 60.56 3kg6 s VAL 1776Cb -0.14 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3kg6 s VAL 1776CO 0.02 -0.16 0.14 -0.44 0.00 0.00 0.00 175.10 174.66 3kg6 s SER 1777N 1.32 6.10 0.50 3.32 0.01 0.12 -0.71 113.70 124.35 3kg6 s SER 1777Ca -0.04 0.29 -0.23 0.00 1.31 0.00 0.00 55.95 57.27 3kg6 s SER 1777Cb -0.19 -1.87 -0.06 0.00 0.21 0.00 0.00 66.02 64.11 3kg6 s SER 1777CO -0.07 0.29 1.38 -0.36 0.41 0.00 0.00 173.24 174.89 3kg6 s PHE 1778N -1.22 2.38 0.21 2.43 2.99 -0.45 -0.28 117.98 124.04 3kg6 s PHE 1778Ca 0.24 1.33 -0.20 0.00 0.00 0.00 0.00 56.93 58.30 3kg6 s PHE 1778Cb -0.12 -3.84 0.03 0.00 0.00 0.00 0.00 43.02 39.09 3kg6 s PHE 1778CO 0.14 -2.88 0.59 0.00 -0.00 0.00 0.00 175.22 173.08 3kg6 s ALA 1779N -1.26 -1.15 0.00 5.36 0.00 0.06 -4.68 121.76 120.08 3kg6 s ALA 1779Ca 0.67 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.53 3kg6 s ALA 1779Cb -0.42 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.57 3kg6 s ALA 1779CO 0.51 -0.86 0.00 0.39 0.00 0.00 0.00 175.76 175.80 3kg6 n GLU 1780N -0.38 0.00 -4.04 0.00 -0.58 -1.26 -2.92 120.64 111.45 3kg6 n GLU 1780Ca -0.10 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.33 3kg6 n GLU 1780Cb 0.62 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 31.33 3kg6 n GLU 1780CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kg6 s ASN 1781N -4.00 3.55 -1.48 1.62 4.22 -1.26 -4.73 114.94 112.87 3kg6 s ASN 1781Ca 0.00 -0.94 -0.05 0.00 -2.14 0.00 0.00 52.86 49.73 3kg6 s ASN 1781Cb 0.00 -1.36 0.04 0.00 1.28 0.00 0.00 41.25 41.21 3kg6 s ASN 1781CO 0.00 -0.12 0.53 -3.20 -2.04 0.00 0.00 177.10 172.27 3kg6 n ASN 1782N 4.61 -1.21 -4.08 3.54 5.15 -1.26 -4.97 115.26 117.05 3kg6 n ASN 1782Ca -0.16 -1.00 -0.12 0.00 -0.60 0.00 0.00 54.58 52.71 3kg6 n ASN 1782Cb 0.46 -3.03 -0.11 0.00 -0.53 0.00 0.00 39.78 36.57 3kg6 n ASN 1782CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3kg6 s SER 1783N -4.08 0.81 0.07 1.20 0.15 -1.15 -4.32 113.70 106.39 3kg6 s SER 1783Ca 0.20 -0.67 0.06 0.00 0.70 0.00 0.00 55.95 56.24 3kg6 s SER 1783Cb -0.11 0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.24 3kg6 s SER 1783CO 0.89 -0.30 -0.16 -0.31 1.20 0.00 0.00 173.24 174.56 3kg6 s TYR 1784N -2.04 1.39 -0.17 3.44 1.51 0.48 -0.76 117.35 121.20 3kg6 s TYR 1784Ca -0.05 -0.41 -0.08 0.00 -1.01 0.00 0.00 57.07 55.52 3kg6 s TYR 1784Cb -0.06 -0.79 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 3kg6 s TYR 1784CO -0.02 0.09 0.09 0.21 -1.11 0.00 0.00 175.55 174.81 3kg6 s LYS 1785N -1.56 3.86 0.13 -0.62 2.20 0.61 -0.53 119.74 123.84 3kg6 s LYS 1785Ca 0.02 -0.27 0.09 0.00 -0.36 0.00 0.00 55.97 55.44 3kg6 s LYS 1785Cb -0.09 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 3kg6 s LYS 1785CO 0.02 0.41 -0.16 -0.59 -0.36 0.00 0.00 175.35 174.68 3kg6 s PHE 1786N -0.00 2.56 -0.09 4.03 -0.71 0.10 0.11 117.98 123.97 3kg6 s PHE 1786Ca 0.08 -0.25 -0.04 0.00 -1.04 0.00 0.00 56.93 55.68 3kg6 s PHE 1786Cb -0.12 -1.33 0.04 0.00 -1.21 0.00 0.00 43.02 40.41 3kg6 s PHE 1786CO 0.00 0.42 0.19 -1.21 -1.34 0.00 0.00 175.22 173.29 3kg6 s GLU 1787N -2.33 0.12 -0.32 1.99 2.02 0.38 -2.06 118.70 118.51 3kg6 s GLU 1787Ca 0.20 0.49 -0.03 0.00 0.02 0.00 0.00 54.97 55.64 3kg6 s GLU 1787Cb -0.10 -0.16 0.05 0.00 0.10 0.00 0.00 34.13 34.02 3kg6 s GLU 1787CO 0.11 -0.20 0.04 0.42 0.02 0.00 0.00 175.26 175.66 3kg6 s ILE 1788N 1.49 3.24 0.25 -1.63 1.01 0.50 -0.78 121.20 125.29 3kg6 s ILE 1788Ca -0.06 -1.35 0.07 0.00 0.00 0.00 0.00 60.65 59.31 3kg6 s ILE 1788Cb -0.11 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 3kg6 s ILE 1788CO -0.07 -0.17 0.16 -0.36 0.00 0.00 0.00 174.94 174.51 3kg6 s PHE 1789N 1.29 3.05 -0.15 3.97 0.40 -0.10 -0.41 117.98 126.04 3kg6 s PHE 1789Ca -0.03 -0.12 -0.19 0.00 -0.60 0.00 0.00 56.93 55.99 3kg6 s PHE 1789Cb -0.20 -1.38 0.05 0.00 0.51 0.00 0.00 43.02 42.00 3kg6 s PHE 1789CO -0.00 0.53 0.50 0.45 0.70 0.00 0.00 175.22 177.40 3kg6 s SER 1790N -3.76 -0.49 0.42 1.36 0.15 -0.58 -1.88 113.70 108.93 3kg6 s SER 1790Ca 0.32 0.85 -0.26 0.00 0.70 0.00 0.00 55.95 57.57 3kg6 s SER 1790Cb -0.08 0.87 -0.08 0.00 -1.71 0.00 0.00 66.02 65.02 3kg6 s SER 1790CO 0.24 -0.27 1.31 -2.84 1.20 0.00 0.00 173.24 172.88 3kg6 s PRO 1791N -0.13 3.88 0.98 5.44 0.02 -1.26 -0.20 135.00 143.74 3kg6 s PRO 1791Ca -0.03 2.16 -0.15 0.00 0.02 0.00 0.00 61.00 62.99 3kg6 s PRO 1791Cb -0.03 -2.70 0.19 0.00 0.02 0.00 0.00 34.50 31.98 3kg6 s PRO 1791CO 0.02 -0.56 1.23 -1.54 -0.33 0.00 0.00 177.00 175.82 3kg6 s SER 1792N -0.77 2.92 0.00 2.53 1.04 -0.01 -4.82 113.70 114.59 3kg6 s SER 1792Ca 0.58 0.53 0.00 0.00 0.48 0.00 0.00 55.95 57.54 3kg6 s SER 1792Cb -0.38 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 64.98 3kg6 s SER 1792CO 0.49 -2.88 0.00 -0.62 0.98 0.00 0.00 173.24 171.21 3kg6 n GLU 1793N -3.91 0.00 0.00 4.02 1.02 -1.26 -4.86 120.64 115.65 3kg6 n GLU 1793Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3kg6 n GLU 1793Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 3kg6 n GLU 1793CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3kg6 n THR 1799N 0.00 0.00 -3.36 2.62 5.66 -1.26 -5.16 114.28 112.78 3kg6 n THR 1799Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 3kg6 n THR 1799Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 3kg6 n THR 1799CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3kg6 s PRO 1800N 0.00 3.73 -0.08 1.09 0.04 -1.26 -5.10 135.00 133.43 3kg6 s PRO 1800Ca 0.00 0.18 0.01 0.00 0.04 0.00 0.00 61.00 61.23 3kg6 s PRO 1800Cb 0.00 -2.64 -0.02 0.00 0.04 0.00 0.00 34.50 31.88 3kg6 s PRO 1800CO 0.00 0.26 -0.11 -1.14 0.04 0.00 0.00 177.00 176.05 3kg6 s GLN 1801N -3.14 2.86 0.11 4.56 2.00 -1.26 -5.05 119.66 119.74 3kg6 s GLN 1801Ca 0.46 -0.64 -0.00 0.00 -2.00 0.00 0.00 55.36 53.18 3kg6 s GLN 1801Cb -0.11 -2.54 -0.04 0.00 0.80 0.00 0.00 33.01 31.12 3kg6 s GLN 1801CO 0.25 0.51 0.28 -1.58 -0.50 0.00 0.00 175.29 174.25 3kg6 s TRP 1802N -0.42 3.50 -0.16 1.67 0.52 -1.26 -0.83 118.94 121.96 3kg6 s TRP 1802Ca 0.05 0.29 0.02 0.00 0.02 0.00 0.00 56.10 56.47 3kg6 s TRP 1802Cb -0.12 -1.79 0.02 0.00 -1.15 0.00 0.00 33.47 30.42 3kg6 s TRP 1802CO 0.02 0.52 -0.20 0.08 0.02 0.00 0.00 176.95 177.39 3kg6 s VAL 1803N -1.63 1.98 -0.19 4.03 1.01 0.72 -4.81 120.40 121.51 3kg6 s VAL 1803Ca 0.36 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 3kg6 s VAL 1803Cb -0.12 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 3kg6 s VAL 1803CO 0.28 0.53 1.33 -0.22 0.00 0.00 0.00 175.10 177.02 3kg6 s LEU 1804N 1.11 4.10 -0.24 3.92 2.96 -1.26 -1.52 118.68 127.75 3kg6 s LEU 1804Ca -0.00 1.62 0.06 0.00 -0.22 0.00 0.00 54.13 55.59 3kg6 s LEU 1804Cb -0.14 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.82 3kg6 s LEU 1804CO -0.08 -0.89 -0.12 1.41 -1.32 0.00 0.00 176.35 175.35 3kg6 n HIS 1805N 7.04 0.06 -3.70 5.38 8.25 0.46 -4.35 115.22 128.36 3kg6 n HIS 1805Ca 0.15 0.01 -0.13 0.00 -0.26 0.00 0.00 57.72 57.49 3kg6 n HIS 1805Cb 0.45 -1.01 -0.07 0.00 1.12 0.00 0.00 29.99 30.48 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 -2.51 -0.97 0.10 -1.41 0.00 -1.18 -0.19 121.76 115.61 3kg6 s ALA 1806Ca -0.27 0.38 -0.15 0.00 0.00 0.00 0.00 51.96 51.91 3kg6 s ALA 1806Cb 0.08 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.44 3kg6 s ALA 1806CO 0.67 -0.37 0.38 1.14 0.00 0.00 0.00 175.76 177.58 3kg6 s GLN 1807N -1.93 1.01 0.00 0.00 -2.07 -0.54 -0.37 119.66 115.76 3kg6 s GLN 1807Ca -0.09 -0.67 0.00 0.00 -1.82 0.00 0.00 55.36 52.78 3kg6 s GLN 1807Cb -0.02 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.34 3kg6 s GLN 1807CO 0.01 -0.38 0.00 0.41 -1.32 0.00 0.00 175.29 174.02 3kg6 n GLY 1808N -0.05 -0.80 3.44 2.60 0.00 -0.87 -0.60 105.19 108.91 3kg6 n GLY 1808Ca -0.16 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.49 1.60 -0.03 1.61 3.01 -0.09 -0.73 119.74 124.62 3kg6 s LYS 1809Ca 0.00 -1.68 0.01 0.00 -1.01 0.00 0.00 55.97 53.30 3kg6 s LYS 1809Cb 0.00 -1.74 0.02 0.00 -1.01 0.00 0.00 37.83 35.10 3kg6 s LYS 1809CO 0.00 0.34 -0.03 0.42 0.51 0.00 0.00 175.35 176.59 3kg6 s ILE 1810N -2.27 0.39 0.35 2.17 1.01 0.31 -1.08 121.20 122.09 3kg6 s ILE 1810Ca 0.26 -0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.77 3kg6 s ILE 1810Cb -0.06 -0.41 0.01 0.00 0.01 0.00 0.00 42.46 42.01 3kg6 s ILE 1810CO 0.13 0.17 0.55 -0.72 0.00 0.00 0.00 174.94 175.06 3kg6 s TYR 1811N 0.65 0.86 0.02 3.97 1.13 -0.65 -0.39 117.35 122.93 3kg6 s TYR 1811Ca -0.08 -1.18 0.08 0.00 -1.41 0.00 0.00 57.07 54.48 3kg6 s TYR 1811Cb -0.11 0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 40.85 3kg6 s TYR 1811CO -0.00 -1.23 -0.23 0.95 -2.51 0.00 0.00 175.55 172.52 3kg6 s THR 1812N -2.89 1.88 0.14 -3.49 -4.23 -1.26 -0.37 115.64 105.43 3kg6 s THR 1812Ca 0.27 -1.17 0.09 0.00 -1.18 0.00 0.00 61.69 59.70 3kg6 s THR 1812Cb -0.01 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 3kg6 s THR 1812CO 0.18 0.39 -0.20 -1.83 -0.54 0.00 0.00 174.62 172.62 3kg6 s GLU 1813N -0.92 1.26 0.69 3.99 -1.05 -0.81 -4.98 118.70 116.88 3kg6 s GLU 1813Ca 0.09 -1.33 -0.17 0.00 -0.15 0.00 0.00 54.97 53.42 3kg6 s GLU 1813Cb -0.09 -1.45 0.00 0.00 -0.44 0.00 0.00 34.13 32.15 3kg6 s GLU 1813CO 0.01 0.32 1.09 -2.30 0.95 0.00 0.00 175.26 175.32 3kg6 n PRO 1814N 0.61 0.70 -2.34 -4.83 -0.02 -1.26 -1.74 135.00 126.11 3kg6 n PRO 1814Ca -0.16 0.30 -0.39 0.00 -2.02 0.00 0.00 63.50 61.22 3kg6 n PRO 1814Cb 0.55 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 3kg6 n PRO 1814CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3kg6 s THR 1815N -1.68 3.23 0.28 3.45 2.01 -1.26 -4.66 115.64 117.01 3kg6 s THR 1815Ca 0.77 1.15 -0.29 0.00 0.31 0.00 0.00 61.69 63.62 3kg6 s THR 1815Cb -0.36 -3.70 -0.10 0.00 0.01 0.00 0.00 72.50 68.36 3kg6 s THR 1815CO 0.47 0.21 1.37 -0.13 -0.69 0.00 0.00 174.62 175.84 3kg6 s ARG 1816N -1.87 4.32 0.29 4.92 0.52 -1.26 -4.94 118.95 120.94 3kg6 s ARG 1816Ca 0.50 2.23 -0.02 0.00 -0.52 0.00 0.00 55.73 57.93 3kg6 s ARG 1816Cb -0.33 -3.10 0.43 0.00 0.52 0.00 0.00 34.95 32.47 3kg6 s ARG 1816CO 0.42 -0.30 1.93 -0.91 0.02 0.00 0.00 175.30 176.46 3kg6 h ASN 1817N 4.37 0.91 -3.68 0.23 2.35 -2.05 -3.42 115.58 114.29 3kg6 h ASN 1817Ca -0.47 -0.06 -0.34 0.00 -0.55 0.00 0.00 56.30 54.89 3kg6 h ASN 1817Cb 1.22 -0.23 -0.31 0.00 0.05 0.00 0.00 38.32 39.05 3kg6 h ASN 1817CO 0.72 0.71 -0.75 -0.55 -1.65 0.00 0.00 177.43 175.91 3kg6 s SER 1818N -6.36 0.54 0.21 5.81 0.15 -1.26 -5.14 113.70 107.65 3kg6 s SER 1818Ca -0.11 -0.07 -0.30 0.00 0.70 0.00 0.00 55.95 56.17 3kg6 s SER 1818Cb 0.17 -0.18 -0.09 0.00 -1.71 0.00 0.00 66.02 64.21 3kg6 s SER 1818CO 0.80 -0.02 1.35 -1.10 1.20 0.00 0.00 173.24 175.47 3kg6 s GLN 1819N 0.44 4.35 0.29 5.44 -0.21 -1.26 -4.98 119.66 123.73 3kg6 s GLN 1819Ca -0.05 2.12 -0.29 0.00 0.02 0.00 0.00 55.36 57.17 3kg6 s GLN 1819Cb -0.08 -3.17 -0.10 0.00 1.00 0.00 0.00 33.01 30.66 3kg6 s GLN 1819CO -0.01 -0.31 1.24 0.00 -2.12 0.00 0.00 175.29 174.10 3kg6 s ALA 1820N 0.12 3.47 0.01 6.09 0.00 -1.26 -4.95 121.76 125.24 3kg6 s ALA 1820Ca 0.58 1.12 0.04 0.00 0.00 0.00 0.00 51.96 53.70 3kg6 s ALA 1820Cb -0.38 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.29 3kg6 s ALA 1820CO 0.39 -0.47 -0.13 0.15 0.00 0.00 0.00 175.76 175.70 3kg6 s LYS 1821N -1.38 0.95 0.08 0.00 1.02 -1.26 -1.85 119.74 117.30 3kg6 s LYS 1821Ca 0.49 -0.56 0.07 0.00 0.02 0.00 0.00 55.97 55.98 3kg6 s LYS 1821Cb -0.37 -0.93 -0.03 0.00 -0.52 0.00 0.00 37.83 35.99 3kg6 s LYS 1821CO 0.47 0.24 -0.18 0.96 -0.92 0.00 0.00 175.35 175.92 3kg6 s ILE 1822N -0.53 1.48 -0.79 2.17 -4.36 -0.71 -4.99 121.20 113.47 3kg6 s ILE 1822Ca 0.03 -1.40 -0.25 0.00 -0.26 0.00 0.00 60.65 58.77 3kg6 s ILE 1822Cb -0.06 -1.36 -0.04 0.00 1.25 0.00 0.00 42.46 42.26 3kg6 s ILE 1822CO 0.00 -0.08 1.91 -0.62 0.24 0.00 0.00 174.94 176.39 3kg6 s ASP 1823N -1.73 5.21 0.19 4.36 2.15 -1.26 -4.59 116.67 121.00 3kg6 s ASP 1823Ca 0.04 -0.30 -0.10 0.00 0.43 0.00 0.00 52.55 52.62 3kg6 s ASP 1823Cb -0.10 -2.55 0.11 0.00 -0.30 0.00 0.00 42.92 40.08 3kg6 s ASP 1823CO 0.03 -2.59 1.72 0.25 -0.17 0.00 0.00 175.17 174.41 3kg6 h LEU 1824N 17.26 1.00 -0.98 -1.34 5.85 -1.90 -2.78 115.31 132.43 3kg6 h LEU 1824Ca -0.04 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.56 3kg6 h LEU 1824Cb 1.06 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.76 3kg6 h LEU 1824CO 1.22 0.94 0.62 -0.33 -0.34 0.00 0.00 178.44 180.55 3kg6 h GLU 1825N 1.00 1.05 -0.59 1.25 5.08 -1.96 0.05 114.58 120.46 3kg6 h GLU 1825Ca 0.22 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 3kg6 h GLU 1825Cb 0.30 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3kg6 h GLU 1825CO -0.01 0.70 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.45 3kg6 h LYS 1826N 1.09 1.06 -0.31 2.33 3.64 -1.90 -1.93 116.57 120.55 3kg6 h LYS 1826Ca 0.44 -0.36 -0.13 0.00 -1.27 0.00 0.00 60.65 59.34 3kg6 h LYS 1826Cb 0.27 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3kg6 h LYS 1826CO -0.20 1.06 -0.33 1.88 -2.27 0.00 0.00 179.45 179.59 3kg6 h TYR 1827N 0.96 0.79 -0.63 1.91 -1.99 -1.13 -1.85 116.97 115.03 3kg6 h TYR 1827Ca 0.16 -0.21 -0.08 0.00 2.00 0.00 0.00 58.73 60.60 3kg6 h TYR 1827Cb 0.60 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.13 3kg6 h TYR 1827CO 0.04 0.92 0.08 1.96 -0.00 0.00 0.00 178.16 181.16 3kg6 h GLN 1828N 0.57 1.06 0.00 4.88 4.20 -0.86 0.44 115.11 125.40 3kg6 h GLN 1828Ca 0.06 -0.29 -0.14 0.00 0.06 0.00 0.00 58.65 58.34 3kg6 h GLN 1828Cb 0.84 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 3kg6 h GLN 1828CO 0.07 0.98 -0.67 0.00 -0.67 0.00 0.00 178.83 178.55 3kg6 h ALA 1829N 1.09 0.76 0.11 3.87 0.00 -1.27 -3.33 119.26 120.49 3kg6 h ALA 1829Ca 0.19 -0.61 -0.22 0.00 0.00 0.00 0.00 54.91 54.28 3kg6 h ALA 1829Cb 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kg6 h ALA 1829CO 0.02 0.84 -1.07 0.93 0.00 0.00 0.00 179.25 179.96 3kg6 h GLU 1830N 0.00 0.22 -5.91 0.00 5.08 -1.20 -3.40 114.58 109.37 3kg6 h GLU 1830Ca -0.01 -0.38 -0.57 0.00 -1.00 0.00 0.00 59.36 57.40 3kg6 h GLU 1830Cb 1.29 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 30.60 3kg6 h GLU 1830CO 0.09 1.18 1.65 0.00 -1.00 0.00 0.00 179.01 180.93 3kg6 n SER 1832N 9.78 0.03 -4.57 0.00 7.64 -1.14 -4.63 113.62 120.74 3kg6 n SER 1832Ca 0.41 0.01 -0.43 0.00 1.01 0.00 0.00 58.87 59.88 3kg6 n SER 1832Cb 0.48 1.72 -0.03 0.00 -1.01 0.00 0.00 64.21 65.37 3kg6 n SER 1832CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3kg6 s GLN 1833N -3.29 3.53 0.17 1.43 0.74 -0.89 -4.92 119.66 116.43 3kg6 s GLN 1833Ca -0.08 0.18 -0.30 0.00 0.05 0.00 0.00 55.36 55.21 3kg6 s GLN 1833Cb 0.12 -3.97 -0.07 0.00 1.10 0.00 0.00 33.01 30.19 3kg6 s GLN 1833CO 0.89 -1.41 0.96 0.00 -0.55 0.00 0.00 175.29 175.18 3kg6 s ALA 1834N 4.21 3.29 -0.14 1.58 0.00 -1.26 0.17 121.76 129.61 3kg6 s ALA 1834Ca 0.39 0.61 -0.02 0.00 0.00 0.00 0.00 51.96 52.95 3kg6 s ALA 1834Cb -0.09 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 3kg6 s ALA 1834CO 0.26 0.05 -0.08 0.42 0.00 0.00 0.00 175.76 176.41 3kg6 s ILE 1835N -0.50 3.49 0.15 0.00 -1.09 -0.85 -4.93 121.20 117.47 3kg6 s ILE 1835Ca 0.45 -0.51 -0.31 0.00 -2.23 0.00 0.00 60.65 58.05 3kg6 s ILE 1835Cb -0.25 -2.50 -0.09 0.00 -1.58 0.00 0.00 42.46 38.05 3kg6 s ILE 1835CO 0.31 0.52 1.46 -1.61 -1.23 0.00 0.00 174.94 174.39 3kg6 s GLU 1836N 0.26 4.28 0.32 2.79 2.02 -1.26 -4.23 118.70 122.88 3kg6 s GLU 1836Ca -0.06 2.20 0.04 0.00 0.02 0.00 0.00 54.97 57.17 3kg6 s GLU 1836Cb -0.15 -3.20 0.56 0.00 0.10 0.00 0.00 34.13 31.44 3kg6 s GLU 1836CO 0.04 -0.49 1.84 0.82 0.02 0.00 0.00 175.26 177.48 3kg6 h ILE 1837N 4.09 1.21 -0.64 -1.63 5.03 -1.96 -1.81 117.51 121.80 3kg6 h ILE 1837Ca -0.43 -0.91 -0.06 0.00 -0.12 0.00 0.00 64.86 63.35 3kg6 h ILE 1837Cb 1.21 1.05 -0.03 0.00 -3.03 0.00 0.00 36.82 36.03 3kg6 h ILE 1837CO 0.87 0.30 0.17 -0.08 -0.68 0.00 0.00 178.15 178.74 3kg6 h GLU 1838N 0.48 1.02 -0.01 2.37 4.22 -2.00 -2.74 114.58 117.92 3kg6 h GLU 1838Ca 0.10 -0.24 -0.16 0.00 0.08 0.00 0.00 59.36 59.14 3kg6 h GLU 1838Cb 0.42 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3kg6 h GLU 1838CO 0.02 0.91 -0.75 1.49 -2.18 0.00 0.00 179.01 178.50 3kg6 h GLU 1839N 0.94 0.06 -0.42 1.92 4.81 -1.92 -2.48 114.58 117.49 3kg6 h GLU 1839Ca 0.20 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.45 3kg6 h GLU 1839Cb 0.34 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.67 3kg6 h GLU 1839CO -0.00 0.78 0.08 1.25 -0.73 0.00 0.00 179.01 180.39 3kg6 h HIS 1840N 0.04 0.12 0.00 0.92 2.76 -1.04 -0.99 115.15 116.96 3kg6 h HIS 1840Ca -0.01 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3kg6 h HIS 1840Cb 1.33 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 30.29 3kg6 h HIS 1840CO 0.01 0.00 -0.51 1.88 -1.30 0.00 0.00 177.93 178.01 3kg6 h TYR 1841N 0.21 0.00 -0.51 5.26 -1.99 -1.54 -2.96 116.97 115.43 3kg6 h TYR 1841Ca 0.21 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.83 3kg6 h TYR 1841Cb 0.26 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 3kg6 h TYR 1841CO -0.21 0.00 -0.08 -0.09 -0.00 0.00 0.00 178.16 177.78 3kg6 h ARG 1842N 0.00 0.96 -0.32 4.88 2.43 -1.13 -0.48 114.38 120.72 3kg6 h ARG 1842Ca -0.00 -0.35 -0.17 0.00 -0.81 0.00 0.00 59.98 58.66 3kg6 h ARG 1842Cb 1.00 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 3kg6 h ARG 1842CO 0.00 1.01 -0.45 1.49 -1.51 0.00 0.00 179.97 180.51 3kg6 h GLU 1843N 0.82 0.85 -0.50 0.20 4.81 -1.21 0.06 114.58 119.62 3kg6 h GLU 1843Ca 0.13 -0.48 -0.07 0.00 -0.13 0.00 0.00 59.36 58.81 3kg6 h GLU 1843Cb 0.63 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 3kg6 h GLU 1843CO 0.04 1.12 0.03 1.88 -0.73 0.00 0.00 179.01 181.36 3kg6 h TYR 1844N 0.68 0.93 -0.42 0.92 0.05 -1.51 -2.38 116.97 115.24 3kg6 h TYR 1844Ca 0.04 -0.15 0.01 0.00 0.05 0.00 0.00 58.73 58.69 3kg6 h TYR 1844Cb 1.04 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 38.51 3kg6 h TYR 1844CO 0.06 0.86 0.26 -0.09 -1.05 0.00 0.00 178.16 178.20 3kg6 h ARG 1845N 0.73 0.51 -0.09 4.88 2.43 -0.89 -0.36 114.38 121.58 3kg6 h ARG 1845Ca 0.15 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 3kg6 h ARG 1845Cb 0.47 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3kg6 h ARG 1845CO 0.02 0.34 0.07 1.03 -1.51 0.00 0.00 179.97 179.92 3kg6 h SER 1846N 0.53 0.00 0.51 -3.80 0.87 -0.83 -2.79 113.55 108.04 3kg6 h SER 1846Ca 0.16 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.43 3kg6 h SER 1846Cb -0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3kg6 h SER 1846CO -0.06 0.00 -1.47 0.11 -0.53 0.00 0.00 176.83 174.88 3kg6 h LYS 1847N 0.00 0.22 0.00 2.24 1.57 -0.88 -3.48 116.57 116.24 3kg6 h LYS 1847Ca 0.04 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3kg6 h LYS 1847Cb 0.18 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3kg6 h LYS 1847CO -0.00 1.09 0.00 0.41 -0.57 0.00 0.00 179.45 180.38 3kg6 n GLY 1848N 1.62 -0.55 3.52 3.86 0.00 -0.79 -4.95 105.19 107.91 3kg6 n GLY 1848Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.31 5.06 -0.65 -0.61 -1.09 -0.21 -0.63 121.20 122.75 3kg6 s ILE 1849Ca 0.00 -0.02 -0.17 0.00 -2.23 0.00 0.00 60.65 58.23 3kg6 s ILE 1849Cb 0.00 -3.98 0.14 0.00 -1.58 0.00 0.00 42.46 37.03 3kg6 s ILE 1849CO 0.00 -0.30 0.69 -1.81 -1.23 0.00 0.00 174.94 172.28 3kg6 s ASP 1850N 1.80 6.34 -0.12 3.58 -0.00 0.32 -2.77 116.67 125.82 3kg6 s ASP 1850Ca 0.15 -1.85 -0.25 0.00 -0.00 0.00 0.00 52.55 50.59 3kg6 s ASP 1850Cb -0.16 -2.26 -0.02 0.00 -0.00 0.00 0.00 42.92 40.47 3kg6 s ASP 1850CO 0.14 -0.92 0.82 -0.31 -0.00 0.00 0.00 175.17 174.89 3kg6 s TYR 1851N 1.83 3.49 0.76 4.23 4.12 -1.26 -2.45 117.35 128.06 3kg6 s TYR 1851Ca 0.12 1.31 -0.07 0.00 0.02 0.00 0.00 57.07 58.45 3kg6 s TYR 1851Cb -0.22 -2.98 0.11 0.00 -1.52 0.00 0.00 41.96 37.35 3kg6 s TYR 1851CO 0.01 -0.13 1.06 0.20 0.02 0.00 0.00 175.55 176.71 3kg6 s GLY 1852N 1.05 1.74 0.39 0.71 0.00 0.81 -4.97 107.32 107.05 3kg6 s GLY 1852Ca 0.40 -1.23 0.11 0.00 0.00 0.00 0.00 44.72 44.00 3kg6 s GLY 1852CO 0.16 -0.71 1.93 1.48 0.00 0.00 0.00 173.10 175.96 3kg6 h SER 1853N -0.77 0.53 -0.19 1.64 4.64 -1.96 -1.85 113.55 115.60 3kg6 h SER 1853Ca -0.42 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 60.92 3kg6 h SER 1853Cb 1.28 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3kg6 h SER 1853CO 0.50 0.30 0.12 0.28 -0.87 0.00 0.00 176.83 177.16 3kg6 h SER 1854N 0.58 0.20 -0.61 4.97 0.02 -1.92 -1.78 113.55 115.02 3kg6 h SER 1854Ca 0.35 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3kg6 h SER 1854Cb 0.58 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3kg6 h SER 1854CO -0.13 0.14 0.00 0.49 -1.14 0.00 0.00 176.83 176.20 3kg6 n PHE 1855N -4.51 1.94 -2.90 3.45 3.72 -0.70 -4.58 117.46 113.88 3kg6 n PHE 1855Ca -0.00 -0.69 -0.31 0.00 -0.05 0.00 0.00 57.45 56.39 3kg6 n PHE 1855Cb 0.09 -0.44 -0.03 0.00 -0.94 0.00 0.00 39.48 38.16 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 0.79 3.80 -1.68 -1.08 6.02 -0.67 -4.63 117.38 119.93 3kg6 n GLN 1856Ca 0.28 -4.80 -0.36 0.00 -0.01 0.00 0.00 57.00 52.11 3kg6 n GLN 1856Cb 1.12 -2.31 0.06 0.00 1.02 0.00 0.00 30.24 30.13 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 -0.08 5.79 3.18 1.08 0.00 -1.26 -4.90 105.19 109.00 3kg6 n GLY 1857Ca 0.35 -2.43 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 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 -4.95 2.16 -0.20 -0.61 1.01 -1.26 -0.11 121.20 117.24 3kg6 s ILE 1858Ca 0.58 -0.94 -0.19 0.00 0.00 0.00 0.00 60.65 60.10 3kg6 s ILE 1858Cb 0.47 -1.88 -0.20 0.00 0.01 0.00 0.00 42.46 40.86 3kg6 s ILE 1858CO -0.17 0.54 0.20 1.17 0.00 0.00 0.00 174.94 176.68 3kg6 n LYS 1859N 4.16 0.59 -3.96 2.79 4.81 0.72 -4.80 118.16 122.47 3kg6 n LYS 1859Ca -0.20 0.52 -0.10 0.00 -0.87 0.00 0.00 58.31 57.66 3kg6 n LYS 1859Cb 0.51 -1.73 -0.12 0.00 0.02 0.00 0.00 35.03 33.72 3kg6 n LYS 1859CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3kg6 s GLN 1860N -2.40 0.25 -0.01 1.64 -0.21 -1.05 -4.93 119.66 112.95 3kg6 s GLN 1860Ca -0.29 -0.47 0.03 0.00 0.02 0.00 0.00 55.36 54.66 3kg6 s GLN 1860Cb 0.06 0.05 -0.00 0.00 1.00 0.00 0.00 33.01 34.12 3kg6 s GLN 1860CO 0.61 -0.03 -0.10 -1.17 -2.12 0.00 0.00 175.29 172.48 3kg6 s LEU 1861N -1.10 1.95 -0.02 2.90 0.20 -1.26 -0.74 118.68 120.61 3kg6 s LEU 1861Ca -0.12 -0.19 -0.01 0.00 0.69 0.00 0.00 54.13 54.50 3kg6 s LEU 1861Cb -0.08 -0.55 0.02 0.00 -0.43 0.00 0.00 46.19 45.15 3kg6 s LEU 1861CO -0.01 0.11 0.04 0.26 -0.29 0.00 0.00 176.35 176.46 3kg6 s TRP 1862N -0.11 -0.02 -0.00 5.38 0.51 0.17 -2.00 118.94 122.86 3kg6 s TRP 1862Ca 0.02 0.14 0.01 0.00 -2.12 0.00 0.00 56.10 54.15 3kg6 s TRP 1862Cb -0.06 -0.09 -0.04 0.00 -0.81 0.00 0.00 33.47 32.48 3kg6 s TRP 1862CO -0.00 -0.06 0.01 0.21 -0.51 0.00 0.00 176.95 176.60 3kg6 s LYS 1863N 0.53 2.81 0.00 4.98 2.20 0.13 -0.17 119.74 130.21 3kg6 s LYS 1863Ca -0.04 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 3kg6 s LYS 1863Cb -0.06 -2.68 0.00 0.00 -1.51 0.00 0.00 37.83 33.58 3kg6 s LYS 1863CO -0.02 0.63 0.00 0.41 -0.36 0.00 0.00 175.35 176.01 3kg6 n GLY 1864N 1.37 5.50 3.54 5.54 0.00 0.14 -2.09 105.19 119.19 3kg6 n GLY 1864Ca -0.14 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 3kg6 n GLY 1864CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kg6 s GLN 1865N 0.07 3.42 -1.76 1.61 -0.21 -1.26 -3.82 119.66 117.71 3kg6 s GLN 1865Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.32 3kg6 s GLN 1865Cb 0.00 -4.00 0.00 0.00 1.00 0.00 0.00 33.01 30.01 3kg6 s GLN 1865CO 0.00 -1.40 0.00 0.41 -2.12 0.00 0.00 175.29 172.18 3kg6 n GLY 1866N 5.04 1.61 3.10 3.09 0.00 -1.26 -4.97 105.19 111.80 3kg6 n GLY 1866Ca 0.04 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.45 0.54 -0.09 1.61 1.02 -1.25 -1.61 119.74 116.51 3kg6 s LYS 1867Ca 0.00 -0.67 -0.08 0.00 0.02 0.00 0.00 55.97 55.24 3kg6 s LYS 1867Cb 0.00 0.21 0.02 0.00 -0.52 0.00 0.00 37.83 37.55 3kg6 s LYS 1867CO 0.00 -0.13 0.24 0.00 -0.92 0.00 0.00 175.35 174.54 3kg6 s ALA 1868N -2.23 -0.60 -0.04 5.17 0.00 0.12 -0.68 121.76 123.51 3kg6 s ALA 1868Ca -0.08 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.59 3kg6 s ALA 1868Cb -0.03 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.69 3kg6 s ALA 1868CO -0.03 -0.12 -0.07 -1.17 0.00 0.00 0.00 175.76 174.37 3kg6 s LEU 1869N 0.18 1.62 -0.00 0.00 2.96 0.77 -0.12 118.68 124.08 3kg6 s LEU 1869Ca -0.00 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3kg6 s LEU 1869Cb -0.02 -0.52 -0.01 0.00 0.50 0.00 0.00 46.19 46.14 3kg6 s LEU 1869CO -0.00 0.02 -0.09 -0.83 -1.32 0.00 0.00 176.35 174.13 3kg6 s GLY 1870N 0.49 0.43 -0.25 7.98 0.00 0.31 0.43 107.32 116.71 3kg6 s GLY 1870Ca -0.07 -0.39 -0.19 0.00 0.00 0.00 0.00 44.72 44.07 3kg6 s GLY 1870CO 0.01 -0.33 0.54 1.85 0.00 0.00 0.00 173.10 175.17 3kg6 s GLU 1871N -0.27 4.10 0.30 2.90 2.12 0.08 -0.30 118.70 127.64 3kg6 s GLU 1871Ca 0.03 0.39 -0.05 0.00 0.36 0.00 0.00 54.97 55.70 3kg6 s GLU 1871Cb -0.04 -3.64 -0.05 0.00 0.26 0.00 0.00 34.13 30.67 3kg6 s GLU 1871CO -0.00 -0.33 0.56 -1.64 -0.54 0.00 0.00 175.26 173.30 3kg6 s MET 1872N 2.24 3.62 0.01 4.30 -1.94 -0.28 -0.20 119.30 127.06 3kg6 s MET 1872Ca 0.23 -0.01 0.06 0.00 -1.71 0.00 0.00 55.69 54.26 3kg6 s MET 1872Cb -0.16 -2.64 -0.02 0.00 2.01 0.00 0.00 34.83 34.03 3kg6 s MET 1872CO 0.09 0.20 -0.18 0.00 -0.01 0.00 0.00 175.02 175.12 3kg6 s ALA 1873N -2.12 1.50 -0.35 3.03 0.00 0.84 -4.49 121.76 120.17 3kg6 s ALA 1873Ca 0.44 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 51.34 3kg6 s ALA 1873Cb -0.11 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.68 3kg6 s ALA 1873CO 0.31 0.35 0.70 -0.06 0.00 0.00 0.00 175.76 177.05 3kg6 s PHE 1874N -0.58 3.15 0.32 0.00 0.08 -1.26 -4.44 117.98 115.25 3kg6 s PHE 1874Ca 0.06 0.48 -0.29 0.00 0.12 0.00 0.00 56.93 57.30 3kg6 s PHE 1874Cb -0.07 -3.22 -0.11 0.00 -0.57 0.00 0.00 43.02 39.05 3kg6 s PHE 1874CO 0.00 -0.64 1.49 -2.14 -0.10 0.00 0.00 175.22 173.83 3kg6 s PRO 1875N 2.85 4.17 0.27 0.24 0.02 -1.26 -4.91 135.00 136.39 3kg6 s PRO 1875Ca 0.27 2.48 -0.02 0.00 0.02 0.00 0.00 61.00 63.76 3kg6 s PRO 1875Cb -0.14 -3.03 0.43 0.00 0.02 0.00 0.00 34.50 31.79 3kg6 s PRO 1875CO 0.15 -0.50 1.88 1.49 -0.33 0.00 0.00 177.00 179.69 3kg6 h GLU 1876N 4.06 1.12 0.00 5.54 4.57 -1.96 -2.26 114.58 125.65 3kg6 h GLU 1876Ca -0.48 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 3kg6 h GLU 1876Cb 1.23 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 3kg6 h GLU 1876CO 0.72 0.74 0.00 -0.85 -1.18 0.00 0.00 179.01 178.44 3kg6 n GLU 1877N -4.51 0.09 0.00 1.92 0.28 -1.26 -2.53 120.64 114.63 3kg6 n GLU 1877Ca 0.16 0.42 0.06 0.00 -0.16 0.00 0.00 57.16 57.64 3kg6 n GLU 1877Cb 0.20 -1.71 0.03 0.00 1.43 0.00 0.00 31.44 31.39 3kg6 n GLU 1877CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3kg6 n LEU 1878N -1.88 1.68 -0.35 -1.84 4.77 -0.85 -4.64 117.00 113.88 3kg6 n LEU 1878Ca 0.01 -0.89 -0.01 0.00 -0.03 0.00 0.00 56.01 55.10 3kg6 n LEU 1878Cb 0.13 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.35 3kg6 n LEU 1878CO 0.12 0.32 1.26 0.74 -1.33 0.00 0.00 177.39 178.51 3kg6 h THR 1879N 1.87 1.17 0.00 -5.08 2.02 -1.51 -2.81 112.91 108.57 3kg6 h THR 1879Ca 0.00 -0.42 -0.05 0.00 0.77 0.00 0.00 66.41 66.72 3kg6 h THR 1879Cb 0.46 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 3kg6 h THR 1879CO 0.00 0.22 -0.23 0.00 0.37 0.00 0.00 175.52 175.88 3kg6 h ALA 1880N 1.39 1.29 -0.02 6.16 0.00 -1.82 -3.23 119.26 123.03 3kg6 h ALA 1880Ca 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kg6 h ALA 1880Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kg6 h ALA 1880CO -0.12 0.29 -0.13 0.00 0.00 0.00 0.00 179.25 179.29 3kg6 n GLN 1881N -3.78 1.56 -0.15 0.00 10.64 -1.07 -4.52 117.38 120.05 3kg6 n GLN 1881Ca -0.02 -1.32 0.18 0.00 -1.83 0.00 0.00 57.00 54.01 3kg6 n GLN 1881Cb 0.33 -1.34 0.56 0.00 -0.86 0.00 0.00 30.24 28.94 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 2.99 0.28 -0.74 2.61 4.07 -1.55 -1.19 115.31 121.79 3kg6 h LEU 1882Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3kg6 h LEU 1882Cb 0.70 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.40 3kg6 h LEU 1882CO 0.00 0.14 0.00 0.00 -1.08 0.00 0.00 178.44 177.50 3kg6 h ALA 1883N 1.65 1.00 0.00 1.53 0.00 -1.84 -2.85 119.26 118.75 3kg6 h ALA 1883Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3kg6 h ALA 1883Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3kg6 h ALA 1883CO -0.10 0.00 -0.33 -0.25 0.00 0.00 0.00 179.25 178.57 3kg6 n ASP 1884N -2.52 0.35 -4.54 0.00 9.92 -0.45 -4.90 116.55 114.42 3kg6 n ASP 1884Ca 0.02 0.03 -0.29 0.00 -0.53 0.00 0.00 54.79 54.02 3kg6 n ASP 1884Cb 0.30 -0.02 -0.10 0.00 -0.64 0.00 0.00 41.12 40.66 3kg6 n ASP 1884CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3kg6 s TYR 1885N -3.01 2.62 -0.02 1.24 2.02 -1.08 -4.71 117.35 114.41 3kg6 s TYR 1885Ca 0.12 -0.22 -0.23 0.00 -0.37 0.00 0.00 57.07 56.37 3kg6 s TYR 1885Cb 0.18 -1.36 -0.16 0.00 -0.40 0.00 0.00 41.96 40.22 3kg6 s TYR 1885CO 0.64 0.43 1.06 1.96 -1.57 0.00 0.00 175.55 178.07 3kg6 h GLN 1886N 3.49 -0.32 -2.62 -0.62 1.08 -1.90 -3.44 115.11 110.77 3kg6 h GLN 1886Ca -0.49 0.02 -0.31 0.00 -1.45 0.00 0.00 58.65 56.43 3kg6 h GLN 1886Cb 1.18 0.07 -0.36 0.00 -0.05 0.00 0.00 27.48 28.32 3kg6 h GLN 1886CO 0.50 0.04 -0.62 -1.17 -0.95 0.00 0.00 178.83 176.63 3kg6 s LEU 1887N -9.27 -0.12 -0.04 1.46 2.96 -1.26 -4.70 118.68 107.71 3kg6 s LEU 1887Ca -0.13 -0.09 -0.37 0.00 -0.22 0.00 0.00 54.13 53.31 3kg6 s LEU 1887Cb 0.01 0.40 -0.15 0.00 0.50 0.00 0.00 46.19 46.95 3kg6 s LEU 1887CO 0.50 -0.31 1.56 1.57 -1.32 0.00 0.00 176.35 178.36 3kg6 n HIS 1888N 5.32 1.88 0.22 5.38 -0.00 -1.26 -4.82 115.22 121.94 3kg6 n HIS 1888Ca -0.05 0.48 0.12 0.00 -0.00 0.00 0.00 57.72 58.27 3kg6 n HIS 1888Cb 0.50 -2.44 0.72 0.00 -0.00 0.00 0.00 29.99 28.76 3kg6 n HIS 1888CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3kg6 h PRO 1889N 6.11 0.00 -0.45 1.57 0.13 -1.97 -1.96 132.00 135.42 3kg6 h PRO 1889Ca -0.47 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 3kg6 h PRO 1889Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 3kg6 h PRO 1889CO 0.87 0.00 -0.18 0.00 -0.23 0.00 0.00 178.00 178.46 3kg6 h ALA 1890N 1.94 0.63 -0.27 -0.56 0.00 -1.89 -1.77 119.26 117.34 3kg6 h ALA 1890Ca 0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 3kg6 h ALA 1890Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kg6 h ALA 1890CO -0.00 0.58 0.01 -0.07 0.00 0.00 0.00 179.25 179.77 3kg6 h LEU 1891N 0.76 0.46 -1.28 0.00 3.38 -1.65 -2.71 115.31 114.27 3kg6 h LEU 1891Ca 0.11 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3kg6 h LEU 1891Cb 0.74 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3kg6 h LEU 1891CO 0.06 0.65 -0.15 0.25 0.09 0.00 0.00 178.44 179.34 3kg6 h LEU 1892N 0.26 0.29 -0.70 1.67 5.85 -1.42 -2.71 115.31 118.56 3kg6 h LEU 1892Ca 0.08 -0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 3kg6 h LEU 1892Cb 0.41 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3kg6 h LEU 1892CO 0.01 0.47 -0.46 -0.78 -0.34 0.00 0.00 178.44 177.34 3kg6 h ASP 1893N 0.29 0.48 -0.91 1.25 1.82 -1.23 -1.62 116.42 116.49 3kg6 h ASP 1893Ca 0.06 -0.23 0.06 0.00 -0.39 0.00 0.00 57.03 56.53 3kg6 h ASP 1893Cb 0.44 -0.14 -0.06 0.00 0.68 0.00 0.00 39.33 40.26 3kg6 h ASP 1893CO 0.03 0.88 0.59 0.00 -1.61 0.00 0.00 179.24 179.13 3kg6 h ALA 1894N 1.14 1.50 -0.39 -0.78 0.00 -1.16 -1.37 119.26 118.21 3kg6 h ALA 1894Ca 0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3kg6 h ALA 1894Cb 0.95 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3kg6 h ALA 1894CO 0.08 0.36 0.01 0.00 0.00 0.00 0.00 179.25 179.70 3kg6 h ALA 1895N 1.50 0.52 -0.53 0.00 0.00 -1.36 -2.92 119.26 116.48 3kg6 h ALA 1895Ca 0.39 -0.25 0.15 0.00 0.00 0.00 0.00 54.91 55.20 3kg6 h ALA 1895Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3kg6 h ALA 1895CO -0.15 0.29 0.42 0.74 0.00 0.00 0.00 179.25 180.55 3kg6 h PHE 1896N 0.50 0.00 0.00 0.00 -1.00 -0.32 -2.28 116.94 113.85 3kg6 h PHE 1896Ca 0.11 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.88 3kg6 h PHE 1896Cb 0.46 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.02 3kg6 h PHE 1896CO 0.04 0.00 -0.03 1.96 -1.61 0.00 0.00 178.31 178.67 3kg6 h GLN 1897N 0.00 0.00 0.00 1.51 4.20 -1.13 -2.87 115.11 116.83 3kg6 h GLN 1897Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 3kg6 h GLN 1897Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 3kg6 h GLN 1897CO -0.00 0.03 -0.33 -0.84 -0.67 0.00 0.00 178.83 177.02 3kg6 h ILE 1898N 0.00 0.00 -0.94 2.54 3.07 -1.53 -3.34 117.51 117.30 3kg6 h ILE 1898Ca -0.00 -0.67 0.09 0.00 1.55 0.00 0.00 64.86 65.83 3kg6 h ILE 1898Cb 0.57 1.48 -0.07 0.00 -0.27 0.00 0.00 36.82 38.53 3kg6 h ILE 1898CO 0.00 0.00 0.60 0.58 -1.05 0.00 0.00 178.15 178.29 3kg6 h VAL 1899N 0.00 1.00 -0.81 0.16 2.07 -1.63 -2.06 116.25 114.98 3kg6 h VAL 1899Ca 0.00 -0.34 0.20 0.00 0.82 0.00 0.00 66.70 67.38 3kg6 h VAL 1899Cb 0.84 -0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 3kg6 h VAL 1899CO 0.00 0.18 0.56 -1.28 0.02 0.00 0.00 177.57 177.05 3kg6 h SER 1900N 0.99 0.26 0.67 0.57 0.87 -1.77 -0.47 113.55 114.67 3kg6 h SER 1900Ca 0.43 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 3kg6 h SER 1900Cb 0.34 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3kg6 h SER 1900CO -0.19 0.11 -0.16 -1.22 -0.53 0.00 0.00 176.83 174.85 3kg6 n TYR 1901N -4.43 0.00 0.01 2.24 4.02 -0.77 -3.60 117.16 114.62 3kg6 n TYR 1901Ca 0.17 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.16 3kg6 n TYR 1901Cb 0.71 -0.34 -0.13 0.00 -0.02 0.00 0.00 39.34 39.56 3kg6 n TYR 1901CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kg6 n ALA 1902N -1.34 2.69 -2.75 -0.72 0.00 -0.20 -4.68 120.51 113.50 3kg6 n ALA 1902Ca 0.09 -0.49 -0.38 0.00 0.00 0.00 0.00 53.44 52.67 3kg6 n ALA 1902Cb 0.32 -0.81 -0.11 0.00 0.00 0.00 0.00 19.45 18.84 3kg6 n ALA 1902CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kg6 s ILE 1903N -3.44 4.94 0.22 0.00 1.01 -1.14 -4.23 121.20 118.56 3kg6 s ILE 1903Ca -0.06 -0.01 0.12 0.00 0.00 0.00 0.00 60.65 60.70 3kg6 s ILE 1903Cb 0.13 -3.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 3kg6 s ILE 1903CO 0.88 0.25 1.60 1.55 0.00 0.00 0.00 174.94 179.22 3kg6 h PRO 1904N 8.34 0.00 0.00 2.79 0.13 -1.89 -3.20 132.00 138.16 3kg6 h PRO 1904Ca -0.36 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 3kg6 h PRO 1904Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3kg6 h PRO 1904CO 0.57 0.60 -0.07 0.45 -0.23 0.00 0.00 178.00 179.32 3kg6 h HIS 1905N 0.00 0.00 -2.39 1.56 3.86 -1.95 -3.44 115.15 112.79 3kg6 h HIS 1905Ca -0.01 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 3kg6 h HIS 1905Cb 1.13 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.62 3kg6 h HIS 1905CO 0.00 0.07 1.22 0.95 0.86 0.00 0.00 177.93 181.04 3kg6 s THR 1906N -3.59 3.11 0.21 2.45 -4.23 -1.21 -4.98 115.64 107.40 3kg6 s THR 1906Ca 0.02 0.13 -0.30 0.00 -1.18 0.00 0.00 61.69 60.36 3kg6 s THR 1906Cb 0.09 -3.09 -0.08 0.00 1.34 0.00 0.00 72.50 70.76 3kg6 s THR 1906CO 0.59 -0.01 0.98 -1.61 -0.54 0.00 0.00 174.62 174.02 3kg6 s GLU 1907N 4.48 4.77 0.43 3.99 2.02 -1.26 -4.96 118.70 128.18 3kg6 s GLU 1907Ca 0.87 1.54 0.19 0.00 0.02 0.00 0.00 54.97 57.58 3kg6 s GLU 1907Cb -0.41 -3.29 1.00 0.00 0.10 0.00 0.00 34.13 31.52 3kg6 s GLU 1907CO 0.39 0.37 1.92 1.79 0.02 0.00 0.00 175.26 179.75 3kg6 h THR 1908N 3.42 0.96 0.00 3.63 1.35 -1.98 -2.89 112.91 117.40 3kg6 h THR 1908Ca -0.45 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 3kg6 h THR 1908Cb 1.21 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3kg6 h THR 1908CO 0.69 0.25 0.00 0.47 -0.25 0.00 0.00 175.52 176.69 3kg6 n ASP 1909N -3.90 0.04 -4.55 5.36 9.92 -1.26 -4.88 116.55 117.28 3kg6 n ASP 1909Ca -0.02 0.51 -0.28 0.00 -0.53 0.00 0.00 54.79 54.47 3kg6 n ASP 1909Cb 0.34 -0.52 -0.10 0.00 -0.64 0.00 0.00 41.12 40.21 3kg6 n ASP 1909CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3kg6 s LYS 1910N -3.01 2.02 -0.17 -1.24 -0.14 -1.09 -4.94 119.74 111.16 3kg6 s LYS 1910Ca 0.11 -1.20 -0.14 0.00 -1.36 0.00 0.00 55.97 53.38 3kg6 s LYS 1910Cb 0.15 -2.18 -0.05 0.00 -1.68 0.00 0.00 37.83 34.07 3kg6 s LYS 1910CO 0.43 0.46 0.29 0.42 -0.76 0.00 0.00 175.35 176.19 3kg6 s ILE 1911N -1.49 5.30 -0.27 2.17 1.01 -1.26 -4.88 121.20 121.78 3kg6 s ILE 1911Ca 0.23 0.53 -0.01 0.00 0.00 0.00 0.00 60.65 61.40 3kg6 s ILE 1911Cb -0.10 -3.63 0.04 0.00 0.01 0.00 0.00 42.46 38.78 3kg6 s ILE 1911CO 0.14 0.37 -0.04 -0.31 0.00 0.00 0.00 174.94 175.09 3kg6 s TYR 1912N 0.63 3.16 -0.07 3.97 2.02 -1.26 -1.26 117.35 124.55 3kg6 s TYR 1912Ca 0.16 -1.76 -0.04 0.00 -0.37 0.00 0.00 57.07 55.06 3kg6 s TYR 1912Cb -0.13 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 3kg6 s TYR 1912CO 0.04 -0.78 0.11 -0.51 -1.57 0.00 0.00 175.55 172.84 3kg6 s LEU 1913N 1.27 4.11 0.31 -1.29 1.43 -0.56 -4.83 118.68 119.12 3kg6 s LEU 1913Ca -0.03 0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 53.09 3kg6 s LEU 1913Cb -0.18 -2.15 -0.11 0.00 0.03 0.00 0.00 46.19 43.78 3kg6 s LEU 1913CO -0.03 0.35 1.49 -2.84 0.23 0.00 0.00 176.35 175.54 3kg6 s PRO 1914N -1.31 4.19 0.00 1.29 0.02 -1.26 -0.95 135.00 136.98 3kg6 s PRO 1914Ca 0.18 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.66 3kg6 s PRO 1914Cb -0.12 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3kg6 s PRO 1914CO 0.08 -0.49 0.00 1.55 -0.33 0.00 0.00 177.00 177.81 3kg6 n VAL 1915N 1.58 0.00 -3.65 3.83 3.14 0.93 -4.82 118.33 119.33 3kg6 n VAL 1915Ca 0.05 -0.34 -0.13 0.00 -2.96 0.00 0.00 64.34 60.96 3kg6 n VAL 1915Cb 0.39 0.93 -0.08 0.00 -1.06 0.00 0.00 33.84 34.02 3kg6 n VAL 1915CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3kg6 s GLY 1916N -0.86 -0.50 -0.08 7.55 0.00 -0.78 -1.42 107.32 111.24 3kg6 s GLY 1916Ca 0.00 1.88 0.00 0.00 0.00 0.00 0.00 44.72 46.60 3kg6 s GLY 1916CO 0.00 1.64 -0.06 0.14 0.00 0.00 0.00 173.10 174.82 3kg6 s VAL 1917N 0.42 0.77 -0.09 1.40 1.01 -0.79 0.04 120.40 123.17 3kg6 s VAL 1917Ca -0.01 -0.19 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 3kg6 s VAL 1917Cb -0.05 -0.80 -0.29 0.00 0.00 0.00 0.00 36.38 35.25 3kg6 s VAL 1917CO -0.00 0.30 0.73 -0.33 0.00 0.00 0.00 175.10 175.79 3kg6 h GLU 1918N 7.69 0.23 -3.39 2.72 4.39 -1.25 0.37 114.58 125.34 3kg6 h GLU 1918Ca -0.30 -0.40 -0.19 0.00 0.34 0.00 0.00 59.36 58.81 3kg6 h GLU 1918Cb 1.15 0.15 -0.27 0.00 -0.10 0.00 0.00 28.75 29.68 3kg6 h GLU 1918CO 0.41 1.19 -0.55 0.15 -1.16 0.00 0.00 179.01 179.04 3kg6 s LYS 1919N -2.42 0.17 -0.07 2.33 1.02 -0.69 -0.32 119.74 119.76 3kg6 s LYS 1919Ca -0.17 0.19 -0.03 0.00 0.02 0.00 0.00 55.97 55.98 3kg6 s LYS 1919Cb 0.02 0.08 0.04 0.00 -0.52 0.00 0.00 37.83 37.45 3kg6 s LYS 1919CO 0.78 -0.02 0.07 0.12 -0.92 0.00 0.00 175.35 175.38 3kg6 s PHE 1920N 0.07 0.10 -0.08 3.18 5.36 0.75 -0.02 117.98 127.33 3kg6 s PHE 1920Ca -0.00 0.11 0.02 0.00 -0.96 0.00 0.00 56.93 56.09 3kg6 s PHE 1920Cb -0.01 -0.54 0.02 0.00 -0.34 0.00 0.00 43.02 42.15 3kg6 s PHE 1920CO 0.00 -0.28 -0.11 0.15 -1.46 0.00 0.00 175.22 173.52 3kg6 s LYS 1921N 2.16 1.70 -0.32 10.12 1.02 0.19 -2.00 119.74 132.61 3kg6 s LYS 1921Ca 0.04 -0.39 -0.09 0.00 0.02 0.00 0.00 55.97 55.56 3kg6 s LYS 1921Cb -0.13 -1.49 0.01 0.00 -0.52 0.00 0.00 37.83 35.70 3kg6 s LYS 1921CO -0.05 -0.06 0.13 -1.17 -0.92 0.00 0.00 175.35 173.29 3kg6 s LEU 1922N 0.96 4.18 -0.03 3.17 0.20 -1.26 -0.86 118.68 125.04 3kg6 s LEU 1922Ca -0.09 -0.76 0.14 0.00 0.69 0.00 0.00 54.13 54.11 3kg6 s LEU 1922Cb -0.15 -1.95 -0.21 0.00 -0.43 0.00 0.00 46.19 43.45 3kg6 s LEU 1922CO 0.00 -0.25 0.67 -1.22 -0.29 0.00 0.00 176.35 175.26 3kg6 n TYR 1923N 4.93 0.93 -3.64 5.38 4.02 0.12 -4.87 117.16 124.03 3kg6 n TYR 1923Ca -0.13 0.33 -0.11 0.00 -0.01 0.00 0.00 57.90 57.98 3kg6 n TYR 1923Cb 0.48 -1.14 -0.07 0.00 -0.02 0.00 0.00 39.34 38.58 3kg6 n TYR 1923CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3kg6 s ARG 1924N -2.68 0.75 0.14 -0.72 6.06 -1.14 -5.06 118.95 116.29 3kg6 s ARG 1924Ca -0.05 1.08 -0.31 0.00 -2.50 0.00 0.00 55.73 53.96 3kg6 s ARG 1924Cb 0.08 0.26 -0.08 0.00 0.06 0.00 0.00 34.95 35.27 3kg6 s ARG 1924CO 0.82 -0.12 1.37 -0.65 -2.50 0.00 0.00 175.30 174.22 3kg6 s GLN 1925N 1.00 4.34 -0.13 5.12 -0.21 -1.26 -4.80 119.66 123.71 3kg6 s GLN 1925Ca -0.05 2.07 -0.00 0.00 0.02 0.00 0.00 55.36 57.40 3kg6 s GLN 1925Cb -0.05 -3.23 -0.01 0.00 1.00 0.00 0.00 33.01 30.71 3kg6 s GLN 1925CO -0.09 -0.39 -0.13 -0.08 -2.12 0.00 0.00 175.29 172.47 3kg6 s THR 1926N 0.86 3.00 -1.14 -0.19 -1.32 -1.26 -5.19 115.64 110.40 3kg6 s THR 1926Ca 0.63 -0.68 0.24 0.00 -1.21 0.00 0.00 61.69 60.67 3kg6 s THR 1926Cb -0.37 -2.26 -0.04 0.00 -1.51 0.00 0.00 72.50 68.32 3kg6 s THR 1926CO 0.32 0.52 1.24 0.00 -2.21 0.00 0.00 174.62 174.50 3kg6 n ILE 1927N 3.58 0.00 -2.98 5.08 0.13 -1.26 -5.09 119.36 118.82 3kg6 n ILE 1927Ca -0.18 -0.03 -0.43 0.00 -1.10 0.00 0.00 62.75 61.01 3kg6 n ILE 1927Cb 0.53 0.57 -0.05 0.00 -0.84 0.00 0.00 39.64 39.84 3kg6 n ILE 1927CO 0.00 0.00 0.00 -1.10 2.80 0.00 0.00 176.55 178.25 3kg6 s GLN 1929N -2.92 3.26 -0.05 9.51 -1.52 -1.26 -5.01 119.66 121.68 3kg6 s GLN 1929Ca 0.12 -0.47 0.05 0.00 -1.95 0.00 0.00 55.36 53.11 3kg6 s GLN 1929Cb 0.17 -4.05 -0.02 0.00 -0.22 0.00 0.00 33.01 28.89 3kg6 s GLN 1929CO 0.73 -1.32 -0.20 0.08 -0.25 0.00 0.00 175.29 174.33 3kg6 s VAL 1930N 3.33 2.59 -0.10 1.09 1.01 -1.26 -4.34 120.40 122.72 3kg6 s VAL 1930Ca 0.24 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.34 3kg6 s VAL 1930Cb -0.15 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 3kg6 s VAL 1930CO 0.17 0.58 -0.11 0.26 0.00 0.00 0.00 175.10 176.00 3kg6 s TRP 1931N -0.54 2.82 -0.21 5.22 0.52 -0.74 -1.13 118.94 124.89 3kg6 s TRP 1931Ca 0.07 -0.35 -0.07 0.00 0.02 0.00 0.00 56.10 55.78 3kg6 s TRP 1931Cb -0.11 -1.77 -0.03 0.00 -1.15 0.00 0.00 33.47 30.40 3kg6 s TRP 1931CO 0.01 0.02 0.05 0.00 0.02 0.00 0.00 176.95 177.05 3kg6 s ALA 1932N -0.17 3.26 -0.18 0.98 0.00 0.59 -0.97 121.76 125.28 3kg6 s ALA 1932Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.06 3kg6 s ALA 1932Cb -0.13 -1.94 0.02 0.00 0.00 0.00 0.00 23.12 21.07 3kg6 s ALA 1932CO 0.03 -0.08 -0.19 0.42 0.00 0.00 0.00 175.76 175.94 3kg6 s ILE 1933N 0.87 2.15 -0.09 0.00 1.01 -0.01 -0.53 121.20 124.60 3kg6 s ILE 1933Ca 0.03 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.78 3kg6 s ILE 1933Cb -0.14 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 3kg6 s ILE 1933CO 0.02 0.53 -0.12 0.00 0.00 0.00 0.00 174.94 175.37 3kg6 s ALA 1934N 1.30 2.71 -0.05 9.38 0.00 0.83 -1.11 121.76 134.82 3kg6 s ALA 1934Ca 0.05 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 3kg6 s ALA 1934Cb -0.13 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 21.89 3kg6 s ALA 1934CO -0.12 0.42 0.12 -1.83 0.00 0.00 0.00 175.76 174.34 3kg6 s GLU 1935N -0.25 0.06 0.87 0.00 -1.05 -0.70 0.16 118.70 117.79 3kg6 s GLU 1935Ca 0.02 0.32 -0.11 0.00 -0.15 0.00 0.00 54.97 55.04 3kg6 s GLU 1935Cb -0.13 -0.18 0.12 0.00 -0.44 0.00 0.00 34.13 33.50 3kg6 s GLU 1935CO 0.03 -0.16 1.16 -1.50 0.95 0.00 0.00 175.26 175.74 3kg6 s ILE 1936N 1.09 2.20 0.31 1.83 2.07 -0.63 -1.22 121.20 126.84 3kg6 s ILE 1936Ca -0.09 0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.24 3kg6 s ILE 1936Cb -0.11 -2.25 0.01 0.00 0.13 0.00 0.00 42.46 40.24 3kg6 s ILE 1936CO -0.05 -0.08 0.12 0.54 -1.91 0.00 0.00 174.94 173.56 3kg6 n ARG 1937N -3.87 1.15 0.22 3.50 1.74 -0.82 -4.77 116.66 113.81 3kg6 n ARG 1937Ca 0.12 -2.10 0.09 0.00 -0.77 0.00 0.00 57.85 55.19 3kg6 n ARG 1937Cb 0.52 0.40 0.51 0.00 -1.02 0.00 0.00 32.46 32.87 3kg6 n ARG 1937CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3kg6 h GLN 1938N 0.00 0.00 -6.70 5.56 7.50 -1.98 -3.44 115.11 116.05 3kg6 h GLN 1938Ca -0.23 0.00 -0.50 0.00 0.50 0.00 0.00 58.65 58.43 3kg6 h GLN 1938Cb 0.75 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.25 3kg6 h GLN 1938CO 0.37 0.24 0.22 0.99 -1.50 0.00 0.00 178.83 179.14 3kg6 s THR 1939N -3.88 4.39 0.29 -0.54 2.01 -1.26 -5.04 115.64 111.61 3kg6 s THR 1939Ca -0.01 1.57 -0.29 0.00 0.31 0.00 0.00 61.69 63.26 3kg6 s THR 1939Cb 0.12 -3.96 -0.10 0.00 0.01 0.00 0.00 72.50 68.57 3kg6 s THR 1939CO 0.64 0.21 1.22 0.20 -0.69 0.00 0.00 174.62 176.20 3kg6 s ASN 1940N -1.58 6.99 -1.60 3.53 0.01 -1.26 -3.26 114.94 117.77 3kg6 s ASN 1940Ca 0.45 2.47 -0.01 0.00 -0.71 0.00 0.00 52.86 55.07 3kg6 s ASN 1940Cb -0.18 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 38.85 3kg6 s ASN 1940CO 0.23 -0.38 0.05 0.18 -1.51 0.00 0.00 177.10 175.68 3kg6 n LEU 1941N 1.28 -1.82 -4.08 0.60 4.77 -1.26 -4.93 117.00 111.56 3kg6 n LEU 1941Ca 0.01 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.74 3kg6 n LEU 1941Cb 0.43 -2.76 -0.16 0.00 -2.33 0.00 0.00 43.42 38.60 3kg6 n LEU 1941CO 0.57 -0.16 -0.48 -0.89 -1.33 0.00 0.00 177.39 175.10 3kg6 s THR 1942N -2.96 1.27 0.06 -5.08 2.01 -1.20 -2.06 115.64 107.68 3kg6 s THR 1942Ca 0.03 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.44 3kg6 s THR 1942Cb -0.01 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 3kg6 s THR 1942CO 0.04 0.38 -0.04 0.00 -0.69 0.00 0.00 174.62 174.30 3kg6 s ALA 1943N 0.37 0.60 -0.08 7.40 0.00 -0.89 -1.94 121.76 127.21 3kg6 s ALA 1943Ca -0.10 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 50.69 3kg6 s ALA 1943Cb -0.14 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 3kg6 s ALA 1943CO 0.03 -0.28 0.08 -0.80 0.00 0.00 0.00 175.76 174.79 3kg6 s ASN 1944N -2.67 5.82 -0.07 0.00 0.01 -0.36 -0.75 114.94 116.92 3kg6 s ASN 1944Ca 0.04 0.28 0.05 0.00 -0.71 0.00 0.00 52.86 52.52 3kg6 s ASN 1944Cb 0.04 -1.76 -0.00 0.00 0.41 0.00 0.00 41.25 39.93 3kg6 s ASN 1944CO -0.07 0.37 -0.22 -0.63 -1.51 0.00 0.00 177.10 175.04 3kg6 s ILE 1945N -1.01 1.86 -0.06 0.60 1.01 0.14 -1.72 121.20 122.01 3kg6 s ILE 1945Ca 0.16 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 59.94 3kg6 s ILE 1945Cb -0.12 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 3kg6 s ILE 1945CO 0.06 0.52 -0.23 -0.36 0.00 0.00 0.00 174.94 174.92 3kg6 s PHE 1946N 0.16 2.30 -0.21 3.97 0.08 -0.27 0.13 117.98 124.15 3kg6 s PHE 1946Ca -0.11 -0.74 -0.06 0.00 0.12 0.00 0.00 56.93 56.13 3kg6 s PHE 1946Cb -0.15 -1.52 -0.03 0.00 -0.57 0.00 0.00 43.02 40.74 3kg6 s PHE 1946CO 0.06 -0.25 0.04 -0.51 -0.10 0.00 0.00 175.22 174.46 3kg6 s LEU 1947N -0.01 3.46 0.22 -0.37 1.43 0.29 -0.83 118.68 122.88 3kg6 s LEU 1947Ca -0.07 -0.13 0.09 0.00 -1.03 0.00 0.00 54.13 52.99 3kg6 s LEU 1947Cb -0.14 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 3kg6 s LEU 1947CO 0.04 0.05 -0.16 0.68 0.23 0.00 0.00 176.35 177.20 3kg6 s VAL 1948N 1.08 1.94 1.14 -1.59 -7.23 -0.14 0.73 120.40 116.33 3kg6 s VAL 1948Ca 0.03 -2.23 -0.18 0.00 -1.81 0.00 0.00 61.98 57.78 3kg6 s VAL 1948Cb -0.14 -2.09 0.26 0.00 0.56 0.00 0.00 36.38 34.97 3kg6 s VAL 1948CO 0.03 -0.52 1.17 -0.62 -0.31 0.00 0.00 175.10 174.85 3kg6 s ASP 1949N -3.30 1.50 0.51 4.85 2.15 0.62 -1.80 116.67 121.21 3kg6 s ASP 1949Ca 0.24 0.51 0.27 0.00 0.43 0.00 0.00 52.55 53.99 3kg6 s ASP 1949Cb -0.02 -0.68 1.39 0.00 -0.30 0.00 0.00 42.92 43.31 3kg6 s ASP 1949CO 0.09 -3.75 2.05 0.78 -0.17 0.00 0.00 175.17 174.16 3kg6 h ASN 1950N -2.33 0.00 -0.14 -0.34 2.35 -1.91 -2.28 115.58 110.93 3kg6 h ASN 1950Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 3kg6 h ASN 1950Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 3kg6 h ASN 1950CO 0.34 0.13 0.00 0.00 -1.65 0.00 0.00 177.43 176.26 3kg6 n GLN 1951N -3.63 1.97 -0.68 0.81 6.02 -1.26 -4.94 117.38 115.67 3kg6 n GLN 1951Ca -0.02 -1.44 0.00 0.00 -0.01 0.00 0.00 57.00 55.53 3kg6 n GLN 1951Cb 0.26 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.06 3kg6 n GLN 1951CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kg6 n GLY 1952N 1.26 0.66 3.70 1.08 0.00 -0.86 -4.87 105.19 106.16 3kg6 n GLY 1952Ca 0.17 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3kg6 n GLY 1952CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kg6 s THR 1953N -2.00 4.21 -0.20 2.61 2.01 -1.26 -1.74 115.64 119.28 3kg6 s THR 1953Ca 0.00 1.57 -0.29 0.00 0.31 0.00 0.00 61.69 63.28 3kg6 s THR 1953Cb 0.00 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 3kg6 s THR 1953CO 0.00 0.07 1.57 -0.69 -0.69 0.00 0.00 174.62 174.88 3kg6 s VAL 1954N 1.55 3.76 -0.18 3.82 1.01 -0.77 -0.28 120.40 129.32 3kg6 s VAL 1954Ca 0.57 0.88 -0.15 0.00 0.00 0.00 0.00 61.98 63.27 3kg6 s VAL 1954Cb -0.27 -3.73 -0.21 0.00 0.00 0.00 0.00 36.38 32.17 3kg6 s VAL 1954CO 0.26 -0.26 0.24 0.18 0.00 0.00 0.00 175.10 175.52 3kg6 n LEU 1955N 8.03 2.18 -4.07 3.92 4.77 0.22 -4.75 117.00 127.31 3kg6 n LEU 1955Ca 0.18 0.33 -0.21 0.00 -0.03 0.00 0.00 56.01 56.28 3kg6 n LEU 1955Cb 0.45 -1.02 -0.15 0.00 -2.33 0.00 0.00 43.42 40.37 3kg6 n LEU 1955CO 0.63 0.52 -0.45 -0.69 -1.33 0.00 0.00 177.39 176.07 3kg6 s VAL 1956N -2.45 0.93 -0.13 4.08 1.01 -0.84 0.15 120.40 123.15 3kg6 s VAL 1956Ca -0.27 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3kg6 s VAL 1956Cb 0.07 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.70 3kg6 s VAL 1956CO 0.65 0.26 -0.11 -0.70 0.00 0.00 0.00 175.10 175.20 3kg6 s GLU 1957N -0.26 1.97 -0.22 2.72 2.12 -0.04 -0.54 118.70 124.45 3kg6 s GLU 1957Ca 0.04 -0.43 0.01 0.00 0.36 0.00 0.00 54.97 54.95 3kg6 s GLU 1957Cb -0.05 -1.88 0.03 0.00 0.26 0.00 0.00 34.13 32.49 3kg6 s GLU 1957CO -0.00 -0.25 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.16 3kg6 s LEU 1958N 1.58 2.80 -0.19 2.70 0.20 0.12 -0.64 118.68 125.25 3kg6 s LEU 1958Ca 0.05 -0.92 -0.04 0.00 0.69 0.00 0.00 54.13 53.90 3kg6 s LEU 1958Cb -0.13 -1.55 -0.02 0.00 -0.43 0.00 0.00 46.19 44.06 3kg6 s LEU 1958CO -0.10 -0.09 -0.02 -0.70 -0.29 0.00 0.00 176.35 175.16 3kg6 s GLU 1959N 1.24 3.60 -0.18 1.98 2.12 0.97 0.26 118.70 128.69 3kg6 s GLU 1959Ca -0.00 -0.53 -0.00 0.00 0.36 0.00 0.00 54.97 54.79 3kg6 s GLU 1959Cb -0.16 -3.02 -0.00 0.00 0.26 0.00 0.00 34.13 31.21 3kg6 s GLU 1959CO -0.08 0.06 0.15 0.41 -0.54 0.00 0.00 175.26 175.26 3kg6 n GLY 1960N 4.10 0.35 3.59 -1.50 0.00 -1.08 -1.70 105.19 108.94 3kg6 n GLY 1960Ca -0.17 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.75 3.53 -0.19 0.99 2.96 0.07 -2.83 118.68 120.46 3kg6 s LEU 1961Ca 0.01 0.70 -0.11 0.00 -0.22 0.00 0.00 54.13 54.51 3kg6 s LEU 1961Cb -0.00 -3.39 -0.05 0.00 0.50 0.00 0.00 46.19 43.25 3kg6 s LEU 1961CO 0.11 -1.54 0.18 -0.60 -1.32 0.00 0.00 176.35 173.18 3kg6 s ARG 1962N 5.18 4.21 0.30 1.98 3.52 0.11 -2.09 118.95 132.16 3kg6 s ARG 1962Ca 0.60 -0.13 0.10 0.00 -0.13 0.00 0.00 55.73 56.17 3kg6 s ARG 1962Cb -0.13 -3.43 -0.05 0.00 -1.56 0.00 0.00 34.95 29.78 3kg6 s ARG 1962CO 0.31 0.27 -0.01 0.14 -0.81 0.00 0.00 175.30 175.20 3kg6 s VAL 1963N 0.42 2.95 0.07 7.11 -7.23 -0.88 -0.05 120.40 122.80 3kg6 s VAL 1963Ca 0.11 -1.98 -0.09 0.00 -1.81 0.00 0.00 61.98 58.21 3kg6 s VAL 1963Cb -0.12 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.06 3kg6 s VAL 1963CO -0.00 -0.29 0.19 -1.59 -0.31 0.00 0.00 175.10 173.10 3kg6 s LYS 1964N -3.69 0.79 0.42 4.82 -2.85 -0.12 -4.83 119.74 114.29 3kg6 s LYS 1964Ca 0.33 -0.84 -0.26 0.00 -1.00 0.00 0.00 55.97 54.20 3kg6 s LYS 1964Cb -0.03 0.32 -0.09 0.00 -2.06 0.00 0.00 37.83 35.97 3kg6 s LYS 1964CO 0.19 -0.25 1.41 0.08 0.10 0.00 0.00 175.35 176.89 3kg6 s VAL 1965N -3.40 2.21 0.10 1.79 1.01 -1.26 -1.50 120.40 119.34 3kg6 s VAL 1965Ca 0.01 0.19 0.10 0.00 0.00 0.00 0.00 61.98 62.29 3kg6 s VAL 1965Cb 0.03 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 3kg6 s VAL 1965CO -0.08 0.03 -0.26 -0.89 0.00 0.00 0.00 175.10 173.90 3kg6 s THR 1966N -1.20 2.14 0.00 3.92 2.01 -0.39 -4.87 115.64 117.25 3kg6 s THR 1966Ca 0.58 -1.60 0.00 0.00 0.31 0.00 0.00 61.69 60.97 3kg6 s THR 1966Cb -0.43 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.21 3kg6 s THR 1966CO 0.56 0.16 0.40 -0.62 -0.69 0.00 0.00 174.62 174.42