#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kg6 h ASN 1685N 0.00 0.00 -4.06 6.43 -1.07 -2.07 -3.46 115.58 111.36 3kg6 h ASN 1685Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 56.30 55.82 3kg6 h ASN 1685Cb 0.00 0.00 0.14 0.00 -2.07 0.00 0.00 38.32 36.39 3kg6 h ASN 1685CO 0.00 0.00 0.60 0.00 0.07 0.00 0.00 177.43 178.10 3kg6 s ALA 1686N -3.48 2.76 0.27 4.14 0.00 -1.26 -4.94 121.76 119.25 3kg6 s ALA 1686Ca 0.02 1.33 -0.31 0.00 0.00 0.00 0.00 51.96 53.01 3kg6 s ALA 1686Cb 0.09 -3.57 -0.12 0.00 0.00 0.00 0.00 23.12 19.52 3kg6 s ALA 1686CO 0.43 -1.42 1.62 1.58 0.00 0.00 0.00 175.76 177.98 3kg6 n HIS 1687N -1.15 2.82 -0.01 0.00 -0.00 -1.26 -4.89 115.22 110.73 3kg6 n HIS 1687Ca 0.11 0.21 0.06 0.00 0.46 0.00 0.00 57.72 58.56 3kg6 n HIS 1687Cb 0.45 -2.61 0.45 0.00 -0.12 0.00 0.00 29.99 28.16 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 5.22 0.50 0.00 1.57 0.11 -1.92 -0.46 132.00 137.01 3kg6 h PRO 1688Ca -0.46 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 65.35 3kg6 h PRO 1688Cb 1.22 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 3kg6 h PRO 1688CO 0.83 0.33 -2.03 1.28 -0.21 0.00 0.00 178.00 178.20 3kg6 n LEU 1689N -4.48 1.03 -0.01 2.35 4.77 -1.26 -4.59 117.00 114.80 3kg6 n LEU 1689Ca 0.04 -0.03 -0.16 0.00 -0.03 0.00 0.00 56.01 55.83 3kg6 n LEU 1689Cb 0.12 0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.11 3kg6 n LEU 1689CO 0.35 0.52 0.33 0.25 -1.33 0.00 0.00 177.39 177.50 3kg6 h LEU 1690N 0.00 0.35 0.00 2.23 5.85 -1.91 -3.42 115.31 118.41 3kg6 h LEU 1690Ca -0.40 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.54 3kg6 h LEU 1690Cb 1.82 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.74 3kg6 h LEU 1690CO -0.01 1.09 0.00 0.61 -0.34 0.00 0.00 178.44 179.79 3kg6 n GLY 1691N 1.08 -1.98 3.83 3.75 0.00 -0.18 -3.48 105.19 108.21 3kg6 n GLY 1691Ca -0.10 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.02 4.18 0.32 1.61 2.02 -1.01 -4.38 118.70 121.42 3kg6 s GLU 1692Ca 0.00 0.92 -0.29 0.00 0.02 0.00 0.00 54.97 55.62 3kg6 s GLU 1692Cb 0.00 -2.47 -0.10 0.00 0.10 0.00 0.00 34.13 31.66 3kg6 s GLU 1692CO 0.00 0.15 1.30 0.21 0.02 0.00 0.00 175.26 176.94 3kg6 s LYS 1693N -2.77 4.37 -0.22 1.61 2.20 -1.26 -1.57 119.74 122.10 3kg6 s LYS 1693Ca 0.54 2.19 -0.21 0.00 -0.36 0.00 0.00 55.97 58.13 3kg6 s LYS 1693Cb -0.12 -3.08 -0.02 0.00 -1.51 0.00 0.00 37.83 33.10 3kg6 s LYS 1693CO 0.17 -0.17 0.66 0.42 -0.36 0.00 0.00 175.35 176.07 3kg6 s ILE 1694N -1.06 4.98 -0.61 5.43 1.01 0.14 -4.91 121.20 126.18 3kg6 s ILE 1694Ca 0.49 1.22 -0.28 0.00 0.00 0.00 0.00 60.65 62.08 3kg6 s ILE 1694Cb -0.39 -3.97 0.03 0.00 0.01 0.00 0.00 42.46 38.14 3kg6 s ILE 1694CO 0.51 0.06 1.23 0.21 0.00 0.00 0.00 174.94 176.95 3kg6 s ASN 1695N 1.31 6.37 -0.04 3.58 2.47 -1.26 -4.56 114.94 122.80 3kg6 s ASN 1695Ca 0.29 0.03 0.05 0.00 0.42 0.00 0.00 52.86 53.64 3kg6 s ASN 1695Cb -0.16 -2.55 -0.02 0.00 -1.45 0.00 0.00 41.25 37.07 3kg6 s ASN 1695CO 0.09 -1.57 -0.17 -0.76 -3.72 0.00 0.00 177.10 170.97 3kg6 s LEU 1696N 5.19 2.55 0.22 3.21 1.43 -1.26 -5.13 118.68 124.90 3kg6 s LEU 1696Ca 0.42 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 53.22 3kg6 s LEU 1696Cb -0.08 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 3kg6 s LEU 1696CO 0.24 0.33 0.45 0.00 0.23 0.00 0.00 176.35 177.60 3kg6 s ALA 1697N -0.67 3.74 -1.17 4.21 0.00 -1.26 -4.49 121.76 122.13 3kg6 s ALA 1697Ca 0.10 -0.68 -0.07 0.00 0.00 0.00 0.00 51.96 51.32 3kg6 s ALA 1697Cb -0.11 -2.14 0.01 0.00 0.00 0.00 0.00 23.12 20.88 3kg6 s ALA 1697CO 0.00 0.40 1.02 0.41 0.00 0.00 0.00 175.76 177.59 3kg6 n GLY 1698N -0.63 -0.34 3.00 0.00 0.00 -1.26 -5.00 105.19 100.95 3kg6 n GLY 1698Ca -0.03 0.13 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.28 -0.75 -0.08 -0.61 2.07 -1.26 -5.03 121.20 112.26 3kg6 s ILE 1699Ca 0.45 -0.08 0.14 0.00 -1.41 0.00 0.00 60.65 59.76 3kg6 s ILE 1699Cb -0.20 -0.91 -0.21 0.00 0.13 0.00 0.00 42.46 41.27 3kg6 s ILE 1699CO 0.64 -0.11 0.21 1.21 -1.91 0.00 0.00 174.94 174.98 3kg6 n GLU 1700N 5.38 1.01 0.09 3.50 2.13 -1.26 -4.65 120.64 126.84 3kg6 n GLU 1700Ca -0.02 -0.08 -0.06 0.00 0.66 0.00 0.00 57.16 57.66 3kg6 n GLU 1700Cb 0.51 -1.37 0.03 0.00 0.27 0.00 0.00 31.44 30.87 3kg6 n GLU 1700CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 3kg6 h ASP 1701N 0.00 0.15 -3.68 4.31 2.03 -1.97 -3.47 116.42 113.79 3kg6 h ASP 1701Ca -0.19 -0.11 -0.37 0.00 -0.73 0.00 0.00 57.03 55.63 3kg6 h ASP 1701Cb 1.27 -0.04 -0.14 0.00 -0.83 0.00 0.00 39.33 39.58 3kg6 h ASP 1701CO 0.01 0.89 -0.72 0.00 -1.03 0.00 0.00 179.24 178.39 3kg6 s GLN 1702N -3.26 1.16 0.01 4.15 -2.07 -1.26 -2.07 119.66 116.31 3kg6 s GLN 1702Ca -0.02 -1.51 0.07 0.00 -1.82 0.00 0.00 55.36 52.09 3kg6 s GLN 1702Cb 0.11 -0.81 -0.02 0.00 -1.09 0.00 0.00 33.01 31.20 3kg6 s GLN 1702CO 0.81 0.12 -0.23 -1.01 -1.32 0.00 0.00 175.29 173.65 3kg6 s HIS 1703N -3.19 2.04 -0.02 9.60 3.76 -0.29 -4.98 115.29 122.21 3kg6 s HIS 1703Ca 0.19 -0.39 0.06 0.00 -0.15 0.00 0.00 55.06 54.77 3kg6 s HIS 1703Cb 0.01 -1.28 -0.01 0.00 1.11 0.00 0.00 32.58 32.41 3kg6 s HIS 1703CO 0.03 0.02 -0.21 1.03 -0.85 0.00 0.00 174.74 174.76 3kg6 s ARG 1704N -0.79 1.77 0.12 1.40 0.52 -1.26 -0.62 118.95 120.09 3kg6 s ARG 1704Ca 0.09 -0.74 0.08 0.00 -0.52 0.00 0.00 55.73 54.64 3kg6 s ARG 1704Cb -0.09 -1.67 -0.04 0.00 0.52 0.00 0.00 34.95 33.67 3kg6 s ARG 1704CO 0.00 0.42 -0.20 -0.06 0.02 0.00 0.00 175.30 175.48 3kg6 s PHE 1705N -0.40 1.80 -0.04 -0.53 0.08 -0.31 0.25 117.98 118.83 3kg6 s PHE 1705Ca 0.06 -0.44 -0.02 0.00 0.12 0.00 0.00 56.93 56.65 3kg6 s PHE 1705Cb -0.09 -0.96 0.03 0.00 -0.57 0.00 0.00 43.02 41.43 3kg6 s PHE 1705CO -0.00 0.25 0.09 -1.14 -0.10 0.00 0.00 175.22 174.32 3kg6 s GLN 1706N -2.21 0.05 0.26 0.44 0.74 -0.61 -0.95 119.66 117.39 3kg6 s GLN 1706Ca 0.10 0.23 0.09 0.00 0.05 0.00 0.00 55.36 55.82 3kg6 s GLN 1706Cb -0.09 -0.13 -0.05 0.00 1.10 0.00 0.00 33.01 33.85 3kg6 s GLN 1706CO 0.05 -0.12 -0.13 -1.54 -0.55 0.00 0.00 175.29 173.01 3kg6 s SER 1707N 0.77 2.98 -0.26 6.67 1.04 0.04 -2.41 113.70 122.53 3kg6 s SER 1707Ca -0.06 -1.09 0.03 0.00 0.48 0.00 0.00 55.95 55.30 3kg6 s SER 1707Cb -0.08 -0.21 0.06 0.00 0.10 0.00 0.00 66.02 65.89 3kg6 s SER 1707CO -0.03 -0.18 -0.10 -0.31 0.98 0.00 0.00 173.24 173.60 3kg6 s TYR 1708N -2.84 3.12 -0.13 5.02 2.02 -1.26 -1.25 117.35 122.02 3kg6 s TYR 1708Ca 0.27 -2.23 0.01 0.00 -0.37 0.00 0.00 57.07 54.75 3kg6 s TYR 1708Cb -0.00 -1.87 -0.01 0.00 -0.40 0.00 0.00 41.96 39.68 3kg6 s TYR 1708CO 0.11 -0.86 -0.15 0.42 -1.57 0.00 0.00 175.55 173.50 3kg6 s ILE 1709N 1.15 2.81 0.28 2.71 -1.09 0.40 -4.85 121.20 122.61 3kg6 s ILE 1709Ca -0.08 -0.74 0.03 0.00 -2.23 0.00 0.00 60.65 57.62 3kg6 s ILE 1709Cb -0.20 -2.17 -0.06 0.00 -1.58 0.00 0.00 42.46 38.46 3kg6 s ILE 1709CO -0.05 0.53 0.06 -0.83 -1.23 0.00 0.00 174.94 173.42 3kg6 s GLY 1710N 0.48 1.82 0.52 6.18 0.00 0.27 0.80 107.32 117.39 3kg6 s GLY 1710Ca -0.11 -1.92 0.23 0.00 0.00 0.00 0.00 44.72 42.93 3kg6 s GLY 1710CO 0.05 -1.69 2.11 0.00 0.00 0.00 0.00 173.10 173.57 3kg6 h ALA 1711N 2.30 1.54 0.00 3.20 0.00 -1.84 -2.88 119.26 121.59 3kg6 h ALA 1711Ca -0.39 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3kg6 h ALA 1711Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kg6 h ALA 1711CO 0.65 0.11 -0.76 0.39 0.00 0.00 0.00 179.25 179.64 3kg6 n GLU 1712N -3.98 1.90 -3.59 0.00 1.02 -1.26 -3.18 120.64 111.55 3kg6 n GLU 1712Ca -0.02 -0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 56.86 3kg6 n GLU 1712Cb 0.18 -1.23 -0.16 0.00 -0.02 0.00 0.00 31.44 30.21 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 -2.49 2.23 0.49 1.62 1.04 -1.09 -2.60 113.70 112.90 3kg6 s SER 1713Ca 0.05 -0.57 -0.21 0.00 0.48 0.00 0.00 55.95 55.70 3kg6 s SER 1713Cb 0.11 -0.15 -0.07 0.00 0.10 0.00 0.00 66.02 66.01 3kg6 s SER 1713CO 0.63 -0.35 1.14 -2.16 0.98 0.00 0.00 173.24 173.48 3kg6 s PRO 1714N 2.17 3.62 0.26 4.02 0.04 -1.26 -0.56 135.00 143.29 3kg6 s PRO 1714Ca 0.03 1.68 -0.01 0.00 0.04 0.00 0.00 61.00 62.74 3kg6 s PRO 1714Cb -0.16 -2.24 0.52 0.00 0.04 0.00 0.00 34.50 32.66 3kg6 s PRO 1714CO -0.10 -0.65 1.79 0.78 0.04 0.00 0.00 177.00 178.86 3kg6 h GLY 1715N 1.70 1.42 2.00 0.56 0.00 -1.75 -2.92 103.07 104.08 3kg6 h GLY 1715Ca -0.50 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.53 3kg6 h GLY 1715CO 0.59 0.03 0.00 0.10 0.00 0.00 0.00 176.54 177.26 3kg6 h TYR 1716N 0.73 0.00 -0.11 5.60 -0.00 -1.88 -2.85 116.97 118.46 3kg6 h TYR 1716Ca 0.46 0.00 0.03 0.00 -0.00 0.00 0.00 58.73 59.22 3kg6 h TYR 1716Cb 0.58 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.30 3kg6 h TYR 1716CO -0.06 0.00 0.09 -0.07 -0.00 0.00 0.00 178.16 178.11 3kg6 h LEU 1717N 0.00 0.00 0.00 0.10 3.38 -1.72 0.15 115.31 117.22 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 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3kg6 h LEU 1717CO 0.00 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 175.33 3kg6 n ASN 1718N -4.35 0.00 -1.01 -0.43 5.15 -1.07 -2.81 115.26 110.74 3kg6 n ASN 1718Ca -0.00 0.39 0.11 0.00 -0.60 0.00 0.00 54.58 54.48 3kg6 n ASN 1718Cb 0.20 -0.45 0.26 0.00 -0.53 0.00 0.00 39.78 39.26 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 -1.45 0.52 -3.83 1.20 8.25 0.52 -4.58 115.22 115.85 3kg6 n HIS 1719Ca 0.06 -0.26 -0.30 0.00 -0.26 0.00 0.00 57.72 56.96 3kg6 n HIS 1719Cb 0.21 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.19 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 -1.48 2.68 -0.07 4.41 5.65 -1.12 0.14 115.29 125.50 3kg6 s HIS 1720Ca 0.38 -2.87 0.03 0.00 0.25 0.00 0.00 55.06 52.85 3kg6 s HIS 1720Cb 0.21 -2.38 -0.02 0.00 -1.18 0.00 0.00 32.58 29.21 3kg6 s HIS 1720CO 0.29 -0.74 -0.17 -0.65 -0.65 0.00 0.00 174.74 172.82 3kg6 s GLN 1721N -0.15 2.73 -0.16 2.88 -0.21 -1.11 -2.79 119.66 120.85 3kg6 s GLN 1721Ca 0.19 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 54.82 3kg6 s GLN 1721Cb -0.22 -2.38 0.03 0.00 1.00 0.00 0.00 33.01 31.44 3kg6 s GLN 1721CO -0.02 0.46 -0.11 0.08 -2.12 0.00 0.00 175.29 173.58 3kg6 s VAL 1722N -0.32 1.43 -1.45 1.09 1.01 0.27 -0.24 120.40 122.20 3kg6 s VAL 1722Ca 0.02 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 3kg6 s VAL 1722Cb -0.13 -1.45 0.05 0.00 0.00 0.00 0.00 36.38 34.86 3kg6 s VAL 1722CO 0.02 0.31 0.84 0.49 0.00 0.00 0.00 175.10 176.77 3kg6 n PHE 1723N 4.79 -2.11 -0.98 5.22 3.01 -0.82 -1.79 117.46 124.79 3kg6 n PHE 1723Ca -0.15 0.87 0.00 0.00 1.01 0.00 0.00 57.45 59.18 3kg6 n PHE 1723Cb 0.49 -4.08 0.00 0.00 -0.01 0.00 0.00 39.48 35.87 3kg6 n PHE 1723CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kg6 n GLY 1724N -1.67 0.46 3.35 1.37 0.00 -1.26 -5.02 105.19 102.43 3kg6 n GLY 1724Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.40 2.98 -0.41 1.61 1.02 -0.74 -5.07 119.74 118.73 3kg6 s LYS 1725Ca 0.00 -0.76 -0.28 0.00 0.02 0.00 0.00 55.97 54.95 3kg6 s LYS 1725Cb 0.00 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.87 3kg6 s LYS 1725CO 0.00 0.33 1.65 0.08 -0.92 0.00 0.00 175.35 176.49 3kg6 s VAL 1726N 0.01 3.62 -0.13 3.17 1.01 -1.26 -0.56 120.40 126.26 3kg6 s VAL 1726Ca -0.06 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 62.49 3kg6 s VAL 1726Cb -0.15 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3kg6 s VAL 1726CO 0.05 -0.66 -0.02 -0.76 0.00 0.00 0.00 175.10 173.71 3kg6 s LEU 1727N 6.66 3.37 0.07 3.92 1.02 -1.12 -0.40 118.68 132.20 3kg6 s LEU 1727Ca 0.70 -0.03 -0.31 0.00 0.02 0.00 0.00 54.13 54.51 3kg6 s LEU 1727Cb -0.17 -1.80 -0.09 0.00 0.02 0.00 0.00 46.19 44.15 3kg6 s LEU 1727CO 0.31 0.24 1.73 0.12 0.02 0.00 0.00 176.35 178.77 3kg6 s PHE 1728N -0.06 2.19 0.54 0.29 5.36 -0.22 -4.80 117.98 121.28 3kg6 s PHE 1728Ca 0.02 0.14 -0.20 0.00 -0.96 0.00 0.00 56.93 55.93 3kg6 s PHE 1728Cb -0.13 -4.04 -0.05 0.00 -0.34 0.00 0.00 43.02 38.46 3kg6 s PHE 1728CO 0.02 -4.28 1.18 -1.25 -1.46 0.00 0.00 175.22 169.43 3kg6 s PRO 1729N 3.00 3.33 0.30 10.12 0.04 -1.26 -4.69 135.00 145.83 3kg6 s PRO 1729Ca 0.77 1.77 0.01 0.00 0.04 0.00 0.00 61.00 63.59 3kg6 s PRO 1729Cb -0.41 -2.11 0.46 0.00 0.04 0.00 0.00 34.50 32.49 3kg6 s PRO 1729CO 0.34 -0.90 1.83 0.77 0.04 0.00 0.00 177.00 179.08 3kg6 h SER 1730N 1.35 0.66 0.08 6.66 0.02 -1.94 -2.00 113.55 118.37 3kg6 h SER 1730Ca -0.50 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.32 3kg6 h SER 1730Cb 1.27 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 3kg6 h SER 1730CO 0.57 0.70 -0.03 0.71 -1.14 0.00 0.00 176.83 177.64 3kg6 h THR 1731N 0.67 0.52 -0.33 -2.27 1.35 -1.92 -0.73 112.91 110.20 3kg6 h THR 1731Ca 0.14 -0.12 -0.07 0.00 -0.55 0.00 0.00 66.41 65.81 3kg6 h THR 1731Cb 0.34 1.08 -0.02 0.00 -1.73 0.00 0.00 68.15 67.82 3kg6 h THR 1731CO 0.01 0.03 -0.09 1.23 -0.25 0.00 0.00 175.52 176.45 3kg6 h GLY 1732N 0.19 0.60 1.29 5.82 0.00 -1.66 -0.76 103.07 108.55 3kg6 h GLY 1732Ca -0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 3kg6 h GLY 1732CO 0.00 0.37 -0.12 -0.97 0.00 0.00 0.00 176.54 175.82 3kg6 h TYR 1733N 0.52 0.92 -0.45 5.60 0.05 -1.19 -2.21 116.97 120.20 3kg6 h TYR 1733Ca 0.10 -0.18 -0.06 0.00 0.05 0.00 0.00 58.73 58.64 3kg6 h TYR 1733Cb 0.47 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 3kg6 h TYR 1733CO 0.02 0.91 0.06 -0.07 -1.05 0.00 0.00 178.16 178.03 3kg6 h LEU 1734N 0.75 0.72 -0.70 3.88 3.38 -1.27 -2.49 115.31 119.58 3kg6 h LEU 1734Ca 0.12 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.88 3kg6 h LEU 1734Cb 0.63 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 3kg6 h LEU 1734CO 0.04 0.81 0.41 -0.08 0.09 0.00 0.00 178.44 179.71 3kg6 h GLU 1735N 0.61 0.73 -0.07 1.13 4.22 -1.03 -0.55 114.58 119.62 3kg6 h GLU 1735Ca 0.14 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.53 3kg6 h GLU 1735Cb 0.40 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3kg6 h GLU 1735CO 0.01 0.48 0.04 0.82 -2.18 0.00 0.00 179.01 178.18 3kg6 h ILE 1736N 0.75 1.09 -0.65 2.32 2.04 -1.22 -0.06 117.51 121.78 3kg6 h ILE 1736Ca 0.31 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 3kg6 h ILE 1736Cb 0.17 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 3kg6 h ILE 1736CO -0.17 0.07 0.24 0.00 0.00 0.00 0.00 178.15 178.29 3kg6 h ALA 1737N 0.94 1.20 -0.22 1.87 0.00 -1.27 -0.94 119.26 120.84 3kg6 h ALA 1737Ca 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3kg6 h ALA 1737Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kg6 h ALA 1737CO -0.00 0.58 0.08 0.00 0.00 0.00 0.00 179.25 179.90 3kg6 h ALA 1738N 1.32 0.28 -0.59 0.00 0.00 -0.80 -1.93 119.26 117.54 3kg6 h ALA 1738Ca 0.22 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3kg6 h ALA 1738Cb 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kg6 h ALA 1738CO -0.02 -0.11 0.03 0.77 0.00 0.00 0.00 179.25 179.92 3kg6 h SER 1739N 0.19 1.00 -0.51 0.00 0.02 -0.82 -1.86 113.55 111.57 3kg6 h SER 1739Ca 0.07 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 3kg6 h SER 1739Cb 0.21 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3kg6 h SER 1739CO -0.00 1.05 0.24 0.00 -1.14 0.00 0.00 176.83 176.97 3kg6 h ALA 1740N 0.99 1.39 -0.00 3.77 0.00 -1.13 -1.57 119.26 122.71 3kg6 h ALA 1740Ca 0.17 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3kg6 h ALA 1740Cb 0.52 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kg6 h ALA 1740CO 0.02 0.47 -0.52 0.78 0.00 0.00 0.00 179.25 180.00 3kg6 h GLY 1741N 0.89 0.01 0.78 0.00 0.00 -1.01 -1.16 103.07 102.58 3kg6 h GLY 1741Ca 0.19 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.45 3kg6 h GLY 1741CO -0.02 0.01 -0.12 1.70 0.00 0.00 0.00 176.54 178.10 3kg6 h LYS 1742N 0.01 0.40 -0.68 4.80 3.64 -0.64 -1.26 116.57 122.84 3kg6 h LYS 1742Ca -0.00 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.11 3kg6 h LYS 1742Cb 0.92 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 3kg6 h LYS 1742CO 0.07 0.73 0.13 0.77 -2.27 0.00 0.00 179.45 178.88 3kg6 h SER 1743N 0.07 1.06 0.04 4.20 0.02 -1.20 -3.32 113.55 114.42 3kg6 h SER 1743Ca 0.04 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.69 3kg6 h SER 1743Cb 0.63 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.90 3kg6 h SER 1743CO 0.03 1.03 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.44 3kg6 h LEU 1744N 1.04 0.15 -8.46 5.07 3.38 -1.25 -3.42 115.31 111.82 3kg6 h LEU 1744Ca 0.21 -0.96 -0.62 0.00 0.09 0.00 0.00 57.88 56.60 3kg6 h LEU 1744Cb 0.41 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 40.99 3kg6 h LEU 1744CO 0.01 1.10 0.52 -0.36 0.09 0.00 0.00 178.44 179.80 3kg6 s PHE 1745N -2.37 2.80 -1.08 1.13 0.08 -0.48 -4.94 117.98 113.12 3kg6 s PHE 1745Ca -0.17 -0.11 -0.06 0.00 0.12 0.00 0.00 56.93 56.71 3kg6 s PHE 1745Cb -0.02 -4.05 0.29 0.00 -0.57 0.00 0.00 43.02 38.67 3kg6 s PHE 1745CO 0.73 -1.35 1.25 2.41 -0.10 0.00 0.00 175.22 178.16 3kg6 n THR 1746N 6.12 4.76 -4.00 0.64 -1.04 -1.26 -4.74 114.28 114.77 3kg6 n THR 1746Ca 0.01 -5.61 -0.13 0.00 -2.04 0.00 0.00 64.05 56.27 3kg6 n THR 1746Cb 0.47 -2.34 -0.03 0.00 -1.82 0.00 0.00 70.33 66.62 3kg6 n THR 1746CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3kg6 n SER 1747N 2.00 -1.23 0.10 8.00 7.64 -1.26 -5.04 113.62 123.84 3kg6 n SER 1747Ca 0.25 -2.68 -0.04 0.00 1.01 0.00 0.00 58.87 57.41 3kg6 n SER 1747Cb 0.36 2.29 0.05 0.00 -1.01 0.00 0.00 64.21 65.91 3kg6 n SER 1747CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3kg6 h GLN 1748N 0.00 0.02 -7.07 1.43 4.20 -1.99 -3.48 115.11 108.22 3kg6 h GLN 1748Ca -0.24 -0.02 -0.51 0.00 0.06 0.00 0.00 58.65 57.94 3kg6 h GLN 1748Cb 1.06 0.01 0.08 0.00 0.30 0.00 0.00 27.48 28.92 3kg6 h GLN 1748CO 0.33 0.78 0.45 -1.21 -0.67 0.00 0.00 178.83 178.51 3kg6 s GLU 1749N -3.27 3.39 0.05 1.46 2.02 -1.26 -4.77 118.70 116.32 3kg6 s GLU 1749Ca -0.01 1.68 -0.31 0.00 0.02 0.00 0.00 54.97 56.36 3kg6 s GLU 1749Cb 0.12 -2.08 -0.06 0.00 0.10 0.00 0.00 34.13 32.21 3kg6 s GLU 1749CO 0.79 -0.84 1.21 -1.14 0.02 0.00 0.00 175.26 175.30 3kg6 s GLN 1750N -3.16 4.42 0.04 1.61 2.00 -0.37 -4.85 119.66 119.35 3kg6 s GLN 1750Ca 0.71 1.78 -0.30 0.00 -2.00 0.00 0.00 55.36 55.55 3kg6 s GLN 1750Cb -0.26 -3.36 -0.04 0.00 0.80 0.00 0.00 33.01 30.15 3kg6 s GLN 1750CO 0.30 -0.28 0.97 0.08 -0.50 0.00 0.00 175.29 175.85 3kg6 s VAL 1751N 1.17 4.72 -0.11 1.34 1.01 -1.26 -0.84 120.40 126.44 3kg6 s VAL 1751Ca 0.59 2.06 0.03 0.00 0.00 0.00 0.00 61.98 64.66 3kg6 s VAL 1751Cb -0.29 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 31.77 3kg6 s VAL 1751CO 0.29 0.22 -0.23 -0.69 0.00 0.00 0.00 175.10 174.69 3kg6 s VAL 1752N 0.60 1.99 -0.24 2.92 1.01 0.11 -4.55 120.40 122.24 3kg6 s VAL 1752Ca 0.50 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 3kg6 s VAL 1752Cb -0.22 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3kg6 s VAL 1752CO 0.29 0.54 0.11 -0.69 0.00 0.00 0.00 175.10 175.35 3kg6 s VAL 1753N 0.49 4.82 0.12 2.92 1.01 -0.46 -1.61 120.40 127.68 3kg6 s VAL 1753Ca -0.16 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3kg6 s VAL 1753Cb -0.17 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3kg6 s VAL 1753CO 0.06 0.34 -0.03 -0.94 0.00 0.00 0.00 175.10 174.53 3kg6 s SER 1754N 1.33 1.04 -1.46 3.32 1.04 0.10 0.67 113.70 119.73 3kg6 s SER 1754Ca 0.06 -1.07 -0.11 0.00 0.48 0.00 0.00 55.95 55.31 3kg6 s SER 1754Cb -0.15 0.13 0.06 0.00 0.10 0.00 0.00 66.02 66.16 3kg6 s SER 1754CO 0.05 -0.53 0.79 0.47 0.98 0.00 0.00 173.24 175.00 3kg6 n ASP 1755N -0.09 -4.87 -4.71 7.02 10.43 -0.29 -0.11 116.55 123.93 3kg6 n ASP 1755Ca -0.10 -0.56 -0.42 0.00 2.57 0.00 0.00 54.79 56.27 3kg6 n ASP 1755Cb 0.62 -3.92 -0.03 0.00 1.84 0.00 0.00 41.12 39.62 3kg6 n ASP 1755CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3kg6 s VAL 1756N -3.17 4.26 -0.12 2.53 1.01 0.37 -4.30 120.40 120.98 3kg6 s VAL 1756Ca 0.52 1.62 0.03 0.00 0.00 0.00 0.00 61.98 64.15 3kg6 s VAL 1756Cb -0.26 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.09 3kg6 s VAL 1756CO 0.64 0.11 -0.21 -1.81 0.00 0.00 0.00 175.10 173.84 3kg6 s ASP 1757N 1.09 2.94 -0.49 3.32 1.01 0.56 -1.31 116.67 123.79 3kg6 s ASP 1757Ca 0.57 -0.55 -0.19 0.00 0.71 0.00 0.00 52.55 53.08 3kg6 s ASP 1757Cb -0.27 -1.35 0.05 0.00 1.01 0.00 0.00 42.92 42.36 3kg6 s ASP 1757CO 0.28 0.09 0.62 -0.63 0.21 0.00 0.00 175.17 175.75 3kg6 s ILE 1758N 0.69 4.87 -0.06 0.77 1.09 0.55 -1.76 121.20 127.35 3kg6 s ILE 1758Ca -0.11 -0.39 0.14 0.00 -1.10 0.00 0.00 60.65 59.18 3kg6 s ILE 1758Cb -0.16 -4.28 -0.20 0.00 -1.06 0.00 0.00 42.46 36.76 3kg6 s ILE 1758CO 0.02 -0.76 0.72 -0.07 -0.10 0.00 0.00 174.94 174.75 3kg6 h LEU 1759N 9.69 0.00 -7.17 2.97 3.38 -0.25 -3.45 115.31 120.47 3kg6 h LEU 1759Ca -0.27 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 3kg6 h LEU 1759Cb 1.10 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.63 3kg6 h LEU 1759CO 0.95 0.88 -0.03 -1.58 0.09 0.00 0.00 178.44 178.75 3kg6 s GLN 1760N -2.69 0.76 0.43 1.13 0.74 -1.11 -5.01 119.66 113.90 3kg6 s GLN 1760Ca -0.04 0.51 -0.25 0.00 0.05 0.00 0.00 55.36 55.63 3kg6 s GLN 1760Cb 0.08 0.36 -0.08 0.00 1.10 0.00 0.00 33.01 34.47 3kg6 s GLN 1760CO 0.82 -0.15 1.27 -1.12 -0.55 0.00 0.00 175.29 175.56 3kg6 s SER 1761N -0.31 6.21 -0.39 6.67 0.01 -1.26 -4.63 113.70 120.01 3kg6 s SER 1761Ca -0.05 2.57 -0.09 0.00 1.31 0.00 0.00 55.95 59.70 3kg6 s SER 1761Cb -0.03 -2.63 0.06 0.00 0.21 0.00 0.00 66.02 63.63 3kg6 s SER 1761CO 0.04 -0.91 0.21 -0.22 0.41 0.00 0.00 173.24 172.77 3kg6 s LEU 1762N -2.64 4.88 -0.04 2.44 2.96 -1.26 -5.05 118.68 119.98 3kg6 s LEU 1762Ca 0.59 -1.34 -0.20 0.00 -0.22 0.00 0.00 54.13 52.97 3kg6 s LEU 1762Cb -0.36 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 3kg6 s LEU 1762CO 0.45 -0.46 0.56 -0.69 -1.32 0.00 0.00 176.35 174.90 3kg6 s VAL 1763N 1.44 5.00 -0.39 1.68 1.01 -1.26 -1.05 120.40 126.82 3kg6 s VAL 1763Ca 0.02 1.17 -0.08 0.00 0.00 0.00 0.00 61.98 63.08 3kg6 s VAL 1763Cb -0.21 -3.90 0.06 0.00 0.00 0.00 0.00 36.38 32.33 3kg6 s VAL 1763CO 0.03 0.39 0.21 -0.63 0.00 0.00 0.00 175.10 175.10 3kg6 s ILE 1764N 0.04 4.10 0.47 2.22 1.01 0.46 -4.99 121.20 124.51 3kg6 s ILE 1764Ca 0.30 -1.30 -0.24 0.00 0.00 0.00 0.00 60.65 59.41 3kg6 s ILE 1764Cb -0.17 -3.44 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 3kg6 s ILE 1764CO 0.15 -0.39 1.37 -2.65 0.00 0.00 0.00 174.94 173.42 3kg6 n PRO 1765N 4.88 2.04 -0.19 2.79 -0.02 -1.26 -4.33 135.00 138.91 3kg6 n PRO 1765Ca -0.10 0.73 0.14 0.00 -2.02 0.00 0.00 63.50 62.24 3kg6 n PRO 1765Cb 0.44 -2.55 0.47 0.00 -0.02 0.00 0.00 33.50 31.83 3kg6 n PRO 1765CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kg6 h GLU 1766N 2.03 0.48 0.00 -0.52 5.08 -1.98 -2.84 114.58 116.83 3kg6 h GLU 1766Ca -0.50 -0.03 -0.33 0.00 -1.00 0.00 0.00 59.36 57.50 3kg6 h GLU 1766Cb 1.28 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 3kg6 h GLU 1766CO 0.60 0.32 -2.19 -2.37 -1.00 0.00 0.00 179.01 174.37 3kg6 n THR 1767N -4.50 1.38 -4.14 1.13 5.66 -1.26 -4.85 114.28 107.70 3kg6 n THR 1767Ca 0.15 -0.83 -0.29 0.00 -3.05 0.00 0.00 64.05 60.03 3kg6 n THR 1767Cb 0.49 -0.58 -0.08 0.00 -1.55 0.00 0.00 70.33 68.61 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 -2.57 2.55 -0.01 1.09 2.02 -1.08 -5.04 118.70 115.67 3kg6 s GLU 1768Ca -0.08 -0.92 -0.26 0.00 0.02 0.00 0.00 54.97 53.72 3kg6 s GLU 1768Cb 0.07 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 3kg6 s GLU 1768CO 0.83 0.51 0.82 0.42 0.02 0.00 0.00 175.26 177.86 3kg6 s ILE 1769N -1.48 4.89 -0.16 -1.63 -1.09 -1.26 -4.45 121.20 116.02 3kg6 s ILE 1769Ca 0.27 1.73 -0.11 0.00 -2.23 0.00 0.00 60.65 60.31 3kg6 s ILE 1769Cb -0.11 -4.17 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 3kg6 s ILE 1769CO 0.19 0.25 0.20 -0.75 -1.23 0.00 0.00 174.94 173.60 3kg6 s LYS 1770N 0.65 4.03 -0.05 2.79 2.47 0.24 -4.89 119.74 124.98 3kg6 s LYS 1770Ca 0.43 -0.06 -0.24 0.00 -1.56 0.00 0.00 55.97 54.55 3kg6 s LYS 1770Cb -0.20 -3.36 -0.04 0.00 -1.46 0.00 0.00 37.83 32.78 3kg6 s LYS 1770CO 0.23 0.41 0.71 0.99 0.16 0.00 0.00 175.35 177.86 3kg6 s THR 1771N -0.02 5.00 -0.14 3.43 2.01 -1.26 -0.45 115.64 124.21 3kg6 s THR 1771Ca 0.13 1.47 0.02 0.00 0.31 0.00 0.00 61.69 63.62 3kg6 s THR 1771Cb -0.12 -4.05 0.02 0.00 0.01 0.00 0.00 72.50 68.35 3kg6 s THR 1771CO 0.02 0.27 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.34 3kg6 s VAL 1772N 0.65 1.86 -0.19 3.82 1.01 -0.38 -4.13 120.40 123.05 3kg6 s VAL 1772Ca 0.38 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 3kg6 s VAL 1772Cb -0.18 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.53 3kg6 s VAL 1772CO 0.19 0.51 -0.15 -1.58 0.00 0.00 0.00 175.10 174.07 3kg6 s GLN 1773N 1.07 3.13 -0.26 2.72 0.74 -0.47 -0.78 119.66 125.81 3kg6 s GLN 1773Ca -0.02 -0.76 -0.10 0.00 0.05 0.00 0.00 55.36 54.53 3kg6 s GLN 1773Cb -0.14 -2.70 -0.04 0.00 1.10 0.00 0.00 33.01 31.22 3kg6 s GLN 1773CO -0.06 -0.17 0.15 0.99 -0.55 0.00 0.00 175.29 175.65 3kg6 s THR 1774N 1.27 5.07 -0.24 -0.34 2.01 -0.12 -0.35 115.64 122.94 3kg6 s THR 1774Ca 0.03 0.09 -0.07 0.00 0.31 0.00 0.00 61.69 62.05 3kg6 s THR 1774Cb -0.14 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 3kg6 s THR 1774CO -0.08 0.30 0.07 -0.69 -0.69 0.00 0.00 174.62 173.53 3kg6 s VAL 1775N 1.54 4.36 -0.35 3.82 1.01 0.30 -1.16 120.40 129.92 3kg6 s VAL 1775Ca 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 3kg6 s VAL 1775Cb -0.15 -3.03 0.09 0.00 0.00 0.00 0.00 36.38 33.28 3kg6 s VAL 1775CO 0.08 0.35 0.08 -0.69 0.00 0.00 0.00 175.10 174.92 3kg6 s VAL 1776N 1.50 2.89 -0.05 2.92 1.01 0.21 -0.85 120.40 128.03 3kg6 s VAL 1776Ca 0.06 -1.88 -0.14 0.00 0.00 0.00 0.00 61.98 60.02 3kg6 s VAL 1776Cb -0.15 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 3kg6 s VAL 1776CO 0.04 -0.44 0.36 -0.44 0.00 0.00 0.00 175.10 174.61 3kg6 s SER 1777N 1.39 6.69 0.25 3.32 0.01 0.12 -1.14 113.70 124.34 3kg6 s SER 1777Ca 0.03 0.82 -0.30 0.00 1.31 0.00 0.00 55.95 57.81 3kg6 s SER 1777Cb -0.21 -2.22 -0.11 0.00 0.21 0.00 0.00 66.02 63.70 3kg6 s SER 1777CO -0.04 0.29 1.57 0.12 0.41 0.00 0.00 173.24 175.58 3kg6 s PHE 1778N -0.76 2.89 0.28 2.43 5.36 -0.88 0.41 117.98 127.71 3kg6 s PHE 1778Ca 0.22 0.76 0.02 0.00 -0.96 0.00 0.00 56.93 56.96 3kg6 s PHE 1778Cb -0.15 -3.99 0.02 0.00 -0.34 0.00 0.00 43.02 38.55 3kg6 s PHE 1778CO 0.11 -3.43 0.13 0.00 -1.46 0.00 0.00 175.22 170.57 3kg6 n ALA 1779N 2.73 0.37 0.10 11.12 0.00 0.68 -4.76 120.51 130.74 3kg6 n ALA 1779Ca 0.10 -1.19 -0.10 0.00 0.00 0.00 0.00 53.44 52.25 3kg6 n ALA 1779Cb 0.38 0.55 -0.06 0.00 0.00 0.00 0.00 19.45 20.32 3kg6 n ALA 1779CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3kg6 h GLU 1780N 0.00 -0.32 -3.11 0.00 5.08 -1.96 -3.37 114.58 110.90 3kg6 h GLU 1780Ca -0.20 0.02 -0.78 0.00 -1.00 0.00 0.00 59.36 57.40 3kg6 h GLU 1780Cb 0.68 0.07 -0.21 0.00 0.50 0.00 0.00 28.75 29.79 3kg6 h GLU 1780CO 0.32 -0.00 1.52 0.09 -1.00 0.00 0.00 179.01 179.94 3kg6 n ASN 1781N -5.00 6.03 -3.75 1.42 3.02 -1.26 -4.69 115.26 111.04 3kg6 n ASN 1781Ca -0.07 -3.27 -0.29 0.00 -0.03 0.00 0.00 54.58 50.92 3kg6 n ASN 1781Cb 0.24 -1.37 -0.01 0.00 -0.61 0.00 0.00 39.78 38.03 3kg6 n ASN 1781CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3kg6 n ASN 1782N 2.41 -3.61 -4.26 6.41 5.15 -1.26 -4.93 115.26 115.17 3kg6 n ASN 1782Ca 0.37 -0.66 -0.29 0.00 -0.60 0.00 0.00 54.58 53.40 3kg6 n ASN 1782Cb 0.33 -2.97 -0.07 0.00 -0.53 0.00 0.00 39.78 36.54 3kg6 n ASN 1782CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3kg6 n SER 1783N -2.47 2.20 -4.10 1.20 3.41 -1.26 -4.57 113.62 108.05 3kg6 n SER 1783Ca 0.03 -3.22 -0.16 0.00 -0.26 0.00 0.00 58.87 55.26 3kg6 n SER 1783Cb 0.52 0.74 -0.12 0.00 -0.26 0.00 0.00 64.21 65.09 3kg6 n SER 1783CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3kg6 s TYR 1784N -2.99 0.90 -0.26 7.33 1.51 -0.06 -0.23 117.35 123.54 3kg6 s TYR 1784Ca 0.12 -0.43 -0.09 0.00 -1.01 0.00 0.00 57.07 55.66 3kg6 s TYR 1784Cb 0.01 -0.53 -0.04 0.00 -0.11 0.00 0.00 41.96 41.29 3kg6 s TYR 1784CO 0.08 -0.02 0.13 0.21 -1.11 0.00 0.00 175.55 174.84 3kg6 s LYS 1785N -1.43 3.80 0.03 -0.62 2.20 0.16 -1.11 119.74 122.77 3kg6 s LYS 1785Ca -0.05 -0.40 0.01 0.00 -0.36 0.00 0.00 55.97 55.17 3kg6 s LYS 1785Cb -0.09 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 3kg6 s LYS 1785CO 0.01 -0.18 0.11 -0.59 -0.36 0.00 0.00 175.35 174.34 3kg6 s PHE 1786N 1.66 3.30 -0.07 4.03 -0.71 -0.85 0.13 117.98 125.48 3kg6 s PHE 1786Ca 0.07 0.18 -0.03 0.00 -1.04 0.00 0.00 56.93 56.11 3kg6 s PHE 1786Cb -0.15 -1.71 0.04 0.00 -1.21 0.00 0.00 43.02 39.99 3kg6 s PHE 1786CO 0.07 0.55 0.15 -1.21 -1.34 0.00 0.00 175.22 173.44 3kg6 s GLU 1787N -2.09 0.09 -0.24 1.99 2.02 -0.03 -1.96 118.70 118.48 3kg6 s GLU 1787Ca 0.27 0.40 -0.03 0.00 0.02 0.00 0.00 54.97 55.63 3kg6 s GLU 1787Cb -0.12 -0.19 0.01 0.00 0.10 0.00 0.00 34.13 33.92 3kg6 s GLU 1787CO 0.19 -0.19 -0.04 0.42 0.02 0.00 0.00 175.26 175.67 3kg6 s ILE 1788N 1.34 3.22 0.24 -1.63 1.01 0.03 -0.54 121.20 124.86 3kg6 s ILE 1788Ca -0.07 -0.74 0.10 0.00 0.00 0.00 0.00 60.65 59.93 3kg6 s ILE 1788Cb -0.12 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 3kg6 s ILE 1788CO -0.06 0.29 -0.06 -0.36 0.00 0.00 0.00 174.94 174.75 3kg6 s PHE 1789N 1.42 2.62 0.00 3.97 0.40 0.53 -1.12 117.98 125.81 3kg6 s PHE 1789Ca 0.03 -0.23 -0.04 0.00 -0.60 0.00 0.00 56.93 56.09 3kg6 s PHE 1789Cb -0.15 -1.20 -0.01 0.00 0.51 0.00 0.00 43.02 42.17 3kg6 s PHE 1789CO -0.03 0.59 0.06 -1.12 0.70 0.00 0.00 175.22 175.42 3kg6 s SER 1790N -3.35 0.09 0.32 1.36 0.01 -0.21 -1.36 113.70 110.56 3kg6 s SER 1790Ca 0.29 -0.26 -0.29 0.00 1.31 0.00 0.00 55.95 57.00 3kg6 s SER 1790Cb -0.07 0.16 -0.10 0.00 0.21 0.00 0.00 66.02 66.21 3kg6 s SER 1790CO 0.18 -0.28 1.28 -2.84 0.41 0.00 0.00 173.24 171.99 3kg6 s PRO 1791N -1.17 4.39 0.47 12.44 0.02 -1.26 0.11 135.00 150.00 3kg6 s PRO 1791Ca -0.13 2.17 -0.24 0.00 0.02 0.00 0.00 61.00 62.82 3kg6 s PRO 1791Cb -0.07 -3.09 -0.07 0.00 0.02 0.00 0.00 34.50 31.29 3kg6 s PRO 1791CO 0.00 -0.14 1.37 0.45 -0.33 0.00 0.00 177.00 178.35 3kg6 s SER 1792N -0.52 5.81 0.00 2.53 0.15 0.96 -4.77 113.70 117.86 3kg6 s SER 1792Ca 0.49 2.79 0.00 0.00 0.70 0.00 0.00 55.95 59.92 3kg6 s SER 1792Cb -0.39 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.28 3kg6 s SER 1792CO 0.51 -1.21 0.39 -0.62 1.20 0.00 0.00 173.24 173.52 3kg6 n GLU 1793N -0.38 0.39 0.00 5.44 1.02 -1.26 -4.90 120.64 120.96 3kg6 n GLU 1793Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3kg6 n GLU 1793Cb 0.43 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 3kg6 n GLU 1793CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3kg6 n THR 1799N 0.79 0.00 -1.88 2.62 -2.24 -1.26 -5.17 114.28 107.14 3kg6 n THR 1799Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 3kg6 n THR 1799Cb 0.19 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 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 0.00 4.19 0.13 -0.78 0.02 -1.26 -5.00 135.00 132.30 3kg6 s PRO 1800Ca 0.00 2.45 -0.15 0.00 0.02 0.00 0.00 61.00 63.32 3kg6 s PRO 1800Cb 0.00 -3.07 -0.07 0.00 0.02 0.00 0.00 34.50 31.38 3kg6 s PRO 1800CO 0.00 -0.55 0.54 -0.65 -0.33 0.00 0.00 177.00 176.01 3kg6 s GLN 1801N -0.20 4.00 0.07 5.54 -1.52 -1.26 -5.01 119.66 121.29 3kg6 s GLN 1801Ca 0.63 0.52 0.08 0.00 -1.95 0.00 0.00 55.36 54.64 3kg6 s GLN 1801Cb -0.45 -3.00 -0.03 0.00 -0.22 0.00 0.00 33.01 29.31 3kg6 s GLN 1801CO 0.44 0.52 -0.22 -1.58 -0.25 0.00 0.00 175.29 174.19 3kg6 s TRP 1802N -1.39 1.94 -0.16 0.91 0.52 -1.26 -0.03 118.94 119.47 3kg6 s TRP 1802Ca 0.36 -0.39 -0.04 0.00 0.02 0.00 0.00 56.10 56.04 3kg6 s TRP 1802Cb -0.16 -1.12 -0.03 0.00 -1.15 0.00 0.00 33.47 31.02 3kg6 s TRP 1802CO 0.19 0.17 -0.02 0.08 0.02 0.00 0.00 176.95 177.38 3kg6 s VAL 1803N -0.95 4.04 -0.21 4.03 1.01 0.29 -4.80 120.40 123.81 3kg6 s VAL 1803Ca 0.09 -0.30 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 3kg6 s VAL 1803Cb -0.09 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 3kg6 s VAL 1803CO 0.03 0.48 0.87 -0.22 0.00 0.00 0.00 175.10 176.27 3kg6 s LEU 1804N 0.41 4.12 -0.23 3.92 2.96 -1.26 -1.05 118.68 127.54 3kg6 s LEU 1804Ca -0.03 1.16 0.00 0.00 -0.22 0.00 0.00 54.13 55.04 3kg6 s LEU 1804Cb -0.14 -3.28 -0.15 0.00 0.50 0.00 0.00 46.19 43.13 3kg6 s LEU 1804CO 0.02 -0.50 -0.22 1.41 -1.32 0.00 0.00 176.35 175.75 3kg6 n HIS 1805N 5.77 0.00 -3.85 5.38 8.25 -0.27 -4.17 115.22 126.33 3kg6 n HIS 1805Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 3kg6 n HIS 1805Cb 0.48 -0.89 -0.10 0.00 1.12 0.00 0.00 29.99 30.60 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 -2.46 -0.40 0.06 -1.41 0.00 -1.21 0.48 121.76 116.81 3kg6 s ALA 1806Ca -0.32 -0.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 3kg6 s ALA 1806Cb 0.09 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.27 3kg6 s ALA 1806CO 0.52 -0.20 0.24 1.14 0.00 0.00 0.00 175.76 177.46 3kg6 s GLN 1807N -1.21 0.78 0.00 0.00 -2.07 -0.72 -0.79 119.66 115.65 3kg6 s GLN 1807Ca -0.13 -0.66 0.00 0.00 -1.82 0.00 0.00 55.36 52.75 3kg6 s GLN 1807Cb -0.07 0.33 0.00 0.00 -1.09 0.00 0.00 33.01 32.18 3kg6 s GLN 1807CO 0.02 -0.24 0.00 0.41 -1.32 0.00 0.00 175.29 174.15 3kg6 n GLY 1808N 0.45 1.17 3.14 2.60 0.00 -0.83 -0.32 105.19 111.40 3kg6 n GLY 1808Ca -0.18 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 1.68 0.76 -0.06 1.61 1.02 0.85 -2.00 119.74 123.60 3kg6 s LYS 1809Ca 0.00 -1.14 -0.02 0.00 0.02 0.00 0.00 55.97 54.84 3kg6 s LYS 1809Cb 0.00 -0.32 0.03 0.00 -0.52 0.00 0.00 37.83 37.02 3kg6 s LYS 1809CO 0.00 0.03 0.02 0.42 -0.92 0.00 0.00 175.35 174.90 3kg6 s ILE 1810N -2.72 0.22 0.37 2.17 1.01 -0.27 -0.72 121.20 121.26 3kg6 s ILE 1810Ca 0.04 0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.96 3kg6 s ILE 1810Cb -0.01 -0.41 -0.03 0.00 0.01 0.00 0.00 42.46 42.02 3kg6 s ILE 1810CO -0.02 0.24 0.17 -0.72 0.00 0.00 0.00 174.94 174.61 3kg6 s TYR 1811N 2.03 1.75 -0.03 3.97 1.13 -0.63 -0.88 117.35 124.69 3kg6 s TYR 1811Ca 0.05 -1.40 0.04 0.00 -1.41 0.00 0.00 57.07 54.35 3kg6 s TYR 1811Cb -0.12 -0.99 -0.03 0.00 -1.10 0.00 0.00 41.96 39.72 3kg6 s TYR 1811CO -0.05 -0.49 -0.13 0.95 -2.51 0.00 0.00 175.55 173.32 3kg6 s THR 1812N -3.34 3.14 0.17 -3.49 -4.23 -1.26 -0.71 115.64 105.92 3kg6 s THR 1812Ca 0.30 -0.80 0.10 0.00 -1.18 0.00 0.00 61.69 60.11 3kg6 s THR 1812Cb 0.03 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.56 3kg6 s THR 1812CO 0.18 0.51 -0.20 -1.61 -0.54 0.00 0.00 174.62 172.97 3kg6 s GLU 1813N -0.98 1.67 0.30 3.99 2.02 -0.02 -4.96 118.70 120.72 3kg6 s GLU 1813Ca 0.13 -1.40 -0.30 0.00 0.02 0.00 0.00 54.97 53.42 3kg6 s GLU 1813Cb -0.11 -1.96 -0.12 0.00 0.10 0.00 0.00 34.13 32.04 3kg6 s GLU 1813CO 0.03 0.42 1.42 -2.30 0.02 0.00 0.00 175.26 174.85 3kg6 n PRO 1814N 0.34 2.27 -1.99 0.39 -0.02 -1.26 -1.24 135.00 133.50 3kg6 n PRO 1814Ca -0.13 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.74 3kg6 n PRO 1814Cb 0.55 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 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 -0.46 2.52 0.11 3.45 2.01 -1.26 -4.68 115.64 117.32 3kg6 s THR 1815Ca 0.62 0.48 -0.31 0.00 0.31 0.00 0.00 61.69 62.79 3kg6 s THR 1815Cb -0.57 -3.31 -0.10 0.00 0.01 0.00 0.00 72.50 68.53 3kg6 s THR 1815CO 0.55 0.10 1.88 0.54 -0.69 0.00 0.00 174.62 176.99 3kg6 n ARG 1816N 1.41 2.84 -0.01 4.92 1.74 -1.26 -4.91 116.66 121.39 3kg6 n ARG 1816Ca 0.03 1.04 -0.18 0.00 -0.77 0.00 0.00 57.85 57.97 3kg6 n ARG 1816Cb 0.40 -2.95 -0.09 0.00 -1.02 0.00 0.00 32.46 28.81 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 9.10 0.80 -4.45 0.55 -1.24 -2.05 -3.44 115.58 114.86 3kg6 h ASN 1817Ca -0.47 -0.67 -0.70 0.00 0.71 0.00 0.00 56.30 55.17 3kg6 h ASN 1817Cb 1.22 -0.24 -0.28 0.00 0.73 0.00 0.00 38.32 39.76 3kg6 h ASN 1817CO 0.95 1.35 -0.86 -0.94 -1.29 0.00 0.00 177.43 176.64 3kg6 s SER 1818N -6.98 3.32 0.10 1.15 1.04 -1.26 -5.12 113.70 105.96 3kg6 s SER 1818Ca -0.11 -0.39 -0.30 0.00 0.48 0.00 0.00 55.95 55.62 3kg6 s SER 1818Cb 0.07 -0.48 -0.06 0.00 0.10 0.00 0.00 66.02 65.65 3kg6 s SER 1818CO 0.88 0.33 1.12 -1.10 0.98 0.00 0.00 173.24 175.45 3kg6 s GLN 1819N -0.65 4.52 0.25 4.02 -0.21 -1.26 -5.01 119.66 121.31 3kg6 s GLN 1819Ca 0.10 1.69 -0.30 0.00 0.02 0.00 0.00 55.36 56.88 3kg6 s GLN 1819Cb -0.10 -3.34 -0.09 0.00 1.00 0.00 0.00 33.01 30.48 3kg6 s GLN 1819CO -0.01 -0.09 1.12 0.00 -2.12 0.00 0.00 175.29 174.19 3kg6 s ALA 1820N 0.53 3.41 -0.01 6.09 0.00 -1.26 -4.94 121.76 125.57 3kg6 s ALA 1820Ca 0.54 0.90 0.05 0.00 0.00 0.00 0.00 51.96 53.45 3kg6 s ALA 1820Cb -0.28 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 3kg6 s ALA 1820CO 0.31 -0.21 -0.16 0.15 0.00 0.00 0.00 175.76 175.85 3kg6 s LYS 1821N -1.13 1.28 -0.05 0.00 1.02 -1.26 -0.40 119.74 119.20 3kg6 s LYS 1821Ca 0.46 -0.56 0.05 0.00 0.02 0.00 0.00 55.97 55.94 3kg6 s LYS 1821Cb -0.32 -1.23 -0.00 0.00 -0.52 0.00 0.00 37.83 35.75 3kg6 s LYS 1821CO 0.40 0.33 -0.19 0.42 -0.92 0.00 0.00 175.35 175.39 3kg6 s ILE 1822N -0.35 1.62 -0.57 2.17 1.01 -0.39 -4.98 121.20 119.70 3kg6 s ILE 1822Ca 0.06 -0.82 -0.26 0.00 0.00 0.00 0.00 60.65 59.63 3kg6 s ILE 1822Cb -0.06 -1.39 -0.09 0.00 0.01 0.00 0.00 42.46 40.93 3kg6 s ILE 1822CO -0.01 0.46 2.42 -1.81 0.00 0.00 0.00 174.94 176.00 3kg6 s ASP 1823N 0.01 4.27 0.31 3.58 1.11 -1.26 -4.51 116.67 120.17 3kg6 s ASP 1823Ca -0.05 0.82 0.10 0.00 0.18 0.00 0.00 52.55 53.60 3kg6 s ASP 1823Cb -0.12 -2.51 0.50 0.00 1.07 0.00 0.00 42.92 41.85 3kg6 s ASP 1823CO 0.03 -3.16 1.70 0.25 1.18 0.00 0.00 175.17 175.18 3kg6 h LEU 1824N 20.46 0.10 -0.89 1.23 5.85 -1.90 -2.91 115.31 137.24 3kg6 h LEU 1824Ca -0.18 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 3kg6 h LEU 1824Cb 1.20 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 3kg6 h LEU 1824CO 1.12 0.56 0.11 -0.33 -0.34 0.00 0.00 178.44 179.56 3kg6 h GLU 1825N 0.07 0.93 -0.11 1.25 5.08 -1.95 -2.41 114.58 117.44 3kg6 h GLU 1825Ca 0.00 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 57.99 3kg6 h GLU 1825Cb 0.87 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3kg6 h GLU 1825CO 0.07 0.85 -0.58 0.87 -1.00 0.00 0.00 179.01 179.22 3kg6 h LYS 1826N 0.88 0.37 -0.11 2.33 1.57 -1.92 -2.91 116.57 116.78 3kg6 h LYS 1826Ca 0.18 -0.24 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 3kg6 h LYS 1826Cb 0.37 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3kg6 h LYS 1826CO 0.01 0.85 -0.52 1.88 -0.57 0.00 0.00 179.45 181.09 3kg6 h TYR 1827N 0.28 0.39 -0.46 -1.35 0.05 -1.39 -2.23 116.97 112.25 3kg6 h TYR 1827Ca -0.00 -0.13 -0.07 0.00 0.05 0.00 0.00 58.73 58.58 3kg6 h TYR 1827Cb 1.10 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.75 3kg6 h TYR 1827CO 0.03 0.77 0.00 1.96 -1.05 0.00 0.00 178.16 179.87 3kg6 h GLN 1828N 0.25 0.75 -0.15 4.88 4.20 -1.38 -1.56 115.11 122.10 3kg6 h GLN 1828Ca 0.01 -0.19 -0.20 0.00 0.06 0.00 0.00 58.65 58.32 3kg6 h GLN 1828Cb 1.00 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.69 3kg6 h GLN 1828CO 0.08 0.76 -0.69 0.00 -0.67 0.00 0.00 178.83 178.31 3kg6 h ALA 1829N 1.30 0.29 -0.18 3.87 0.00 -1.37 -3.30 119.26 119.86 3kg6 h ALA 1829Ca 0.14 -0.57 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 3kg6 h ALA 1829Cb 0.43 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kg6 h ALA 1829CO 0.02 0.60 -0.64 0.93 0.00 0.00 0.00 179.25 180.16 3kg6 h GLU 1830N 0.44 0.65 -5.34 0.00 5.08 -1.38 -3.34 114.58 110.70 3kg6 h GLU 1830Ca -0.04 -0.46 -0.70 0.00 -1.00 0.00 0.00 59.36 57.16 3kg6 h GLU 1830Cb 1.33 0.07 -0.13 0.00 0.50 0.00 0.00 28.75 30.52 3kg6 h GLU 1830CO 0.14 1.08 1.62 0.00 -1.00 0.00 0.00 179.01 180.85 3kg6 n SER 1832N 7.11 0.44 -4.54 0.00 2.88 -1.25 -4.72 113.62 113.55 3kg6 n SER 1832Ca 0.39 0.20 -0.43 0.00 -1.33 0.00 0.00 58.87 57.71 3kg6 n SER 1832Cb 0.46 0.56 -0.04 0.00 -0.75 0.00 0.00 64.21 64.44 3kg6 n SER 1832CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3kg6 s GLN 1833N -2.66 3.39 0.32 -1.46 -0.44 -1.09 -4.94 119.66 112.78 3kg6 s GLN 1833Ca -0.07 -0.12 -0.27 0.00 -2.50 0.00 0.00 55.36 52.40 3kg6 s GLN 1833Cb 0.08 -4.02 -0.09 0.00 -1.64 0.00 0.00 33.01 27.33 3kg6 s GLN 1833CO 0.83 -1.46 1.04 0.00 0.50 0.00 0.00 175.29 176.19 3kg6 s ALA 1834N 4.05 3.27 -0.13 1.58 0.00 -1.26 0.67 121.76 129.93 3kg6 s ALA 1834Ca 0.33 0.74 0.01 0.00 0.00 0.00 0.00 51.96 53.04 3kg6 s ALA 1834Cb -0.11 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 3kg6 s ALA 1834CO 0.21 -0.07 -0.15 0.42 0.00 0.00 0.00 175.76 176.18 3kg6 s ILE 1835N -1.38 2.81 0.24 0.00 -1.09 -0.65 -4.84 121.20 116.29 3kg6 s ILE 1835Ca 0.49 -0.74 -0.30 0.00 -2.23 0.00 0.00 60.65 57.87 3kg6 s ILE 1835Cb -0.26 -2.17 -0.09 0.00 -1.58 0.00 0.00 42.46 38.36 3kg6 s ILE 1835CO 0.33 0.53 1.10 -1.61 -1.23 0.00 0.00 174.94 174.06 3kg6 s GLU 1836N 0.48 4.62 0.19 2.79 0.41 -1.26 -4.10 118.70 121.83 3kg6 s GLU 1836Ca -0.11 1.78 -0.12 0.00 -0.41 0.00 0.00 54.97 56.11 3kg6 s GLU 1836Cb -0.16 -3.22 0.12 0.00 -1.78 0.00 0.00 34.13 29.09 3kg6 s GLU 1836CO 0.05 0.16 1.85 0.82 -0.49 0.00 0.00 175.26 177.64 3kg6 h ILE 1837N 3.33 1.14 -0.25 -1.63 1.08 -1.94 -1.48 117.51 117.76 3kg6 h ILE 1837Ca -0.46 -0.28 0.01 0.00 -0.39 0.00 0.00 64.86 63.74 3kg6 h ILE 1837Cb 1.21 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 3kg6 h ILE 1837CO 0.69 0.15 0.13 -0.33 -0.69 0.00 0.00 178.15 178.10 3kg6 h GLU 1838N 0.82 0.26 -0.48 2.37 3.07 -1.98 -2.33 114.58 116.32 3kg6 h GLU 1838Ca 0.24 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.06 3kg6 h GLU 1838Cb -0.06 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 3kg6 h GLU 1838CO -0.07 0.17 0.23 1.49 -1.40 0.00 0.00 179.01 179.44 3kg6 h GLU 1839N 0.27 0.68 -0.25 2.33 4.57 -1.92 -1.11 114.58 119.16 3kg6 h GLU 1839Ca 0.10 -0.10 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 3kg6 h GLU 1839Cb 0.02 -0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 28.41 3kg6 h GLU 1839CO -0.06 0.57 -0.23 1.25 -1.18 0.00 0.00 179.01 179.36 3kg6 h HIS 1840N 0.63 -0.62 0.00 0.92 2.76 -1.01 0.66 115.15 118.49 3kg6 h HIS 1840Ca 0.16 0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.32 3kg6 h HIS 1840Cb 0.11 0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 3kg6 h HIS 1840CO -0.01 -0.31 -0.24 1.88 -1.30 0.00 0.00 177.93 177.95 3kg6 h TYR 1841N -0.24 0.00 0.00 5.26 0.05 -1.33 -2.83 116.97 117.89 3kg6 h TYR 1841Ca 0.14 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.65 3kg6 h TYR 1841Cb 0.45 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.21 3kg6 h TYR 1841CO -0.39 0.24 -1.04 -0.09 -1.05 0.00 0.00 178.16 175.83 3kg6 h ARG 1842N 0.00 0.67 -0.20 4.88 2.43 -0.85 -2.47 114.38 118.84 3kg6 h ARG 1842Ca -0.00 -0.73 -0.01 0.00 -0.81 0.00 0.00 59.98 58.43 3kg6 h ARG 1842Cb 1.13 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 3kg6 h ARG 1842CO 0.03 1.31 0.09 0.93 -1.51 0.00 0.00 179.97 180.82 3kg6 h GLU 1843N 0.38 0.29 -0.54 0.20 5.08 -0.88 -1.50 114.58 117.61 3kg6 h GLU 1843Ca -0.13 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3kg6 h GLU 1843Cb 1.69 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.86 3kg6 h GLU 1843CO 0.20 0.33 0.33 1.88 -1.00 0.00 0.00 179.01 180.75 3kg6 h TYR 1844N 0.19 0.63 -0.09 4.33 0.05 -1.58 -2.23 116.97 118.28 3kg6 h TYR 1844Ca 0.07 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.80 3kg6 h TYR 1844Cb 0.13 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 3kg6 h TYR 1844CO -0.02 0.37 -0.24 -0.09 -1.05 0.00 0.00 178.16 177.13 3kg6 h ARG 1845N 0.67 0.15 0.00 4.88 2.43 -1.11 -0.14 114.38 121.26 3kg6 h ARG 1845Ca 0.21 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3kg6 h ARG 1845Cb -0.01 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3kg6 h ARG 1845CO -0.08 0.39 -0.08 -1.13 -1.51 0.00 0.00 179.97 177.56 3kg6 n SER 1846N -4.20 0.18 -0.02 -3.80 3.41 -0.57 -3.46 113.62 105.17 3kg6 n SER 1846Ca -0.01 0.40 0.09 0.00 -0.26 0.00 0.00 58.87 59.09 3kg6 n SER 1846Cb 0.33 -0.42 -0.17 0.00 -0.26 0.00 0.00 64.21 63.70 3kg6 n SER 1846CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kg6 n LYS 1847N -1.60 0.66 0.00 4.33 5.02 -0.61 -5.01 118.16 120.94 3kg6 n LYS 1847Ca 0.07 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 3kg6 n LYS 1847Cb 0.35 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 3kg6 n LYS 1847CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kg6 n GLY 1848N 1.31 1.29 3.55 0.72 0.00 -0.22 -4.87 105.19 106.97 3kg6 n GLY 1848Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.20 4.12 -0.90 -0.61 1.01 -0.31 -1.95 121.20 122.36 3kg6 s ILE 1849Ca 0.00 0.56 -0.12 0.00 0.00 0.00 0.00 60.65 61.09 3kg6 s ILE 1849Cb 0.00 -4.69 0.23 0.00 0.01 0.00 0.00 42.46 38.02 3kg6 s ILE 1849CO 0.00 -1.34 0.85 -0.62 0.00 0.00 0.00 174.94 173.84 3kg6 s ASP 1850N 3.06 6.88 0.11 3.58 2.15 0.67 -2.47 116.67 130.64 3kg6 s ASP 1850Ca 0.36 -2.95 -0.30 0.00 0.43 0.00 0.00 52.55 50.09 3kg6 s ASP 1850Cb -0.10 -2.20 -0.06 0.00 -0.30 0.00 0.00 42.92 40.26 3kg6 s ASP 1850CO 0.21 -0.49 1.10 -0.31 -0.17 0.00 0.00 175.17 175.51 3kg6 s TYR 1851N -0.25 3.58 0.65 -5.34 4.12 -1.26 -2.74 117.35 116.10 3kg6 s TYR 1851Ca 0.21 1.54 -0.02 0.00 0.02 0.00 0.00 57.07 58.83 3kg6 s TYR 1851Cb -0.10 -3.28 0.13 0.00 -1.52 0.00 0.00 41.96 37.19 3kg6 s TYR 1851CO -0.09 -0.65 0.88 0.41 0.02 0.00 0.00 175.55 176.13 3kg6 n GLY 1852N 2.56 0.46 0.29 0.71 0.00 0.12 -4.92 105.19 104.42 3kg6 n GLY 1852Ca 0.05 -1.99 0.14 0.00 0.00 0.00 0.00 46.02 44.23 3kg6 n GLY 1852CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kg6 h SER 1853N -0.60 0.00 -0.29 1.61 4.64 -1.96 -1.64 113.55 115.31 3kg6 h SER 1853Ca -0.29 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.94 3kg6 h SER 1853Cb 1.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 3kg6 h SER 1853CO 0.30 0.01 -0.11 0.28 -0.87 0.00 0.00 176.83 176.44 3kg6 h SER 1854N 0.00 0.70 -0.72 4.97 0.02 -1.92 -3.04 113.55 113.56 3kg6 h SER 1854Ca -0.00 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3kg6 h SER 1854Cb 0.03 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.39 3kg6 h SER 1854CO 0.00 0.84 0.00 0.49 -1.14 0.00 0.00 176.83 177.02 3kg6 n PHE 1855N -4.17 1.21 -2.20 3.45 3.72 -0.64 -4.43 117.46 114.40 3kg6 n PHE 1855Ca 0.01 -0.54 -0.40 0.00 -0.05 0.00 0.00 57.45 56.47 3kg6 n PHE 1855Cb 0.35 -0.10 0.03 0.00 -0.94 0.00 0.00 39.48 38.83 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 1.48 3.81 -0.64 -1.08 6.02 -1.08 -4.76 117.38 121.15 3kg6 n GLN 1856Ca 0.26 -3.96 0.01 0.00 -0.01 0.00 0.00 57.00 53.30 3kg6 n GLN 1856Cb 0.74 -2.35 0.24 0.00 1.02 0.00 0.00 30.24 29.90 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 -0.33 2.69 3.50 1.08 0.00 -1.26 -4.86 105.19 106.01 3kg6 n GLY 1857Ca 0.51 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.17 4.42 -0.10 -0.61 1.01 -1.26 0.14 121.20 122.63 3kg6 s ILE 1858Ca 0.36 -0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.75 3kg6 s ILE 1858Cb 0.28 -3.04 -0.28 0.00 0.01 0.00 0.00 42.46 39.44 3kg6 s ILE 1858CO 0.10 0.38 0.52 0.50 0.00 0.00 0.00 174.94 176.44 3kg6 h LYS 1859N 7.74 0.28 -1.97 2.79 3.64 -1.00 -3.45 116.57 124.59 3kg6 h LYS 1859Ca -0.37 -0.48 -0.01 0.00 -1.27 0.00 0.00 60.65 58.52 3kg6 h LYS 1859Cb 1.18 0.18 -0.21 0.00 -0.41 0.00 0.00 32.23 32.96 3kg6 h LYS 1859CO 0.61 1.23 0.12 1.14 -2.27 0.00 0.00 179.45 180.28 3kg6 s GLN 1860N -2.52 0.77 0.08 1.90 -2.07 -1.20 -4.91 119.66 111.71 3kg6 s GLN 1860Ca -0.20 1.04 0.04 0.00 -1.82 0.00 0.00 55.36 54.42 3kg6 s GLN 1860Cb 0.05 0.31 -0.03 0.00 -1.09 0.00 0.00 33.01 32.25 3kg6 s GLN 1860CO 0.78 -0.11 -0.11 -0.48 -1.32 0.00 0.00 175.29 174.05 3kg6 s LEU 1861N 0.77 2.34 -0.01 2.60 2.34 -1.26 -0.10 118.68 125.35 3kg6 s LEU 1861Ca -0.03 -0.70 0.03 0.00 0.06 0.00 0.00 54.13 53.49 3kg6 s LEU 1861Cb -0.05 -0.34 -0.01 0.00 -0.56 0.00 0.00 46.19 45.24 3kg6 s LEU 1861CO -0.06 -0.20 -0.10 0.26 -1.06 0.00 0.00 176.35 175.19 3kg6 s TRP 1862N -1.89 0.97 -0.11 3.48 0.51 0.16 -1.64 118.94 120.42 3kg6 s TRP 1862Ca 0.00 -0.20 -0.06 0.00 -2.12 0.00 0.00 56.10 53.72 3kg6 s TRP 1862Cb -0.06 -0.64 -0.04 0.00 -0.81 0.00 0.00 33.47 31.92 3kg6 s TRP 1862CO 0.01 -0.04 0.13 0.21 -0.51 0.00 0.00 176.95 176.76 3kg6 s LYS 1863N -0.15 3.41 0.00 4.98 2.20 0.21 -1.38 119.74 129.01 3kg6 s LYS 1863Ca 0.03 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 3kg6 s LYS 1863Cb -0.05 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 3kg6 s LYS 1863CO -0.00 0.77 0.00 0.41 -0.36 0.00 0.00 175.35 176.17 3kg6 n GLY 1864N 1.92 5.55 3.51 5.54 0.00 -0.52 -2.67 105.19 118.52 3kg6 n GLY 1864Ca -0.19 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 3kg6 n GLY 1864CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kg6 s GLN 1865N -0.02 3.28 0.00 1.61 0.00 -1.26 -3.99 119.66 119.28 3kg6 s GLN 1865Ca 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 55.36 54.99 3kg6 s GLN 1865Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 33.01 28.92 3kg6 s GLN 1865CO 0.00 -1.57 0.00 0.41 0.00 0.00 0.00 175.29 174.13 3kg6 n GLY 1866N 5.17 0.40 3.30 2.60 0.00 -1.26 -4.95 105.19 110.44 3kg6 n GLY 1866Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.65 1.20 -0.01 1.61 1.02 -1.26 -1.30 119.74 120.36 3kg6 s LYS 1867Ca 0.00 -1.49 -0.05 0.00 0.02 0.00 0.00 55.97 54.45 3kg6 s LYS 1867Cb 0.00 -0.95 -0.00 0.00 -0.52 0.00 0.00 37.83 36.36 3kg6 s LYS 1867CO 0.00 0.15 0.10 0.00 -0.92 0.00 0.00 175.35 174.68 3kg6 s ALA 1868N -2.92 -0.23 0.00 5.17 0.00 0.23 -1.44 121.76 122.58 3kg6 s ALA 1868Ca 0.18 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.04 3kg6 s ALA 1868Cb -0.01 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.15 3kg6 s ALA 1868CO 0.04 -0.16 -0.03 -1.17 0.00 0.00 0.00 175.76 174.44 3kg6 s LEU 1869N -1.04 2.04 -0.18 0.00 2.96 -0.48 -0.80 118.68 121.18 3kg6 s LEU 1869Ca -0.11 -0.11 -0.15 0.00 -0.22 0.00 0.00 54.13 53.54 3kg6 s LEU 1869Cb -0.06 -0.11 0.05 0.00 0.50 0.00 0.00 46.19 46.57 3kg6 s LEU 1869CO 0.01 -0.01 0.47 -0.83 -1.32 0.00 0.00 176.35 174.67 3kg6 s GLY 1870N -0.26 -0.36 -0.08 7.98 0.00 -0.61 0.40 107.32 114.39 3kg6 s GLY 1870Ca -0.01 1.43 -0.23 0.00 0.00 0.00 0.00 44.72 45.91 3kg6 s GLY 1870CO -0.00 1.32 0.67 1.85 0.00 0.00 0.00 173.10 176.94 3kg6 s GLU 1871N 0.56 4.41 0.10 2.90 2.12 0.85 -0.09 118.70 129.56 3kg6 s GLU 1871Ca -0.02 0.81 -0.14 0.00 0.36 0.00 0.00 54.97 55.98 3kg6 s GLU 1871Cb -0.04 -3.45 -0.06 0.00 0.26 0.00 0.00 34.13 30.83 3kg6 s GLU 1871CO -0.03 0.06 0.50 -1.64 -0.54 0.00 0.00 175.26 173.61 3kg6 s MET 1872N 0.83 3.95 -0.28 4.30 -1.94 -0.45 -0.40 119.30 125.32 3kg6 s MET 1872Ca 0.36 0.44 0.01 0.00 -1.71 0.00 0.00 55.69 54.78 3kg6 s MET 1872Cb -0.17 -3.03 0.08 0.00 2.01 0.00 0.00 34.83 33.72 3kg6 s MET 1872CO 0.17 0.55 0.03 0.00 -0.01 0.00 0.00 175.02 175.75 3kg6 s ALA 1873N -1.34 1.91 -0.12 3.03 0.00 0.36 -4.45 121.76 121.14 3kg6 s ALA 1873Ca 0.33 -1.63 -0.29 0.00 0.00 0.00 0.00 51.96 50.38 3kg6 s ALA 1873Cb -0.16 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 3kg6 s ALA 1873CO 0.18 -1.45 1.75 0.12 0.00 0.00 0.00 175.76 176.37 3kg6 s PHE 1874N 1.42 1.82 0.41 0.00 5.36 -1.26 -4.39 117.98 121.34 3kg6 s PHE 1874Ca 0.03 0.27 -0.27 0.00 -0.96 0.00 0.00 56.93 56.00 3kg6 s PHE 1874Cb -0.18 -3.99 -0.10 0.00 -0.34 0.00 0.00 43.02 38.40 3kg6 s PHE 1874CO -0.13 -3.79 1.40 -2.30 -1.46 0.00 0.00 175.22 168.94 3kg6 n PRO 1875N 7.59 2.30 0.09 10.12 -0.02 -1.26 -4.91 135.00 148.91 3kg6 n PRO 1875Ca 0.20 0.81 0.04 0.00 -2.02 0.00 0.00 63.50 62.53 3kg6 n PRO 1875Cb 0.44 -2.55 0.46 0.00 -0.02 0.00 0.00 33.50 31.83 3kg6 n PRO 1875CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kg6 h GLU 1876N 2.48 0.33 -0.16 -0.52 5.08 -1.95 -2.09 114.58 117.76 3kg6 h GLU 1876Ca -0.49 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 57.88 3kg6 h GLU 1876Cb 1.27 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 3kg6 h GLU 1876CO 0.62 0.28 0.17 0.93 -1.00 0.00 0.00 179.01 180.02 3kg6 h GLU 1877N 0.34 0.00 -0.01 2.33 5.08 -1.97 -3.02 114.58 117.33 3kg6 h GLU 1877Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3kg6 h GLU 1877Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3kg6 h GLU 1877CO -0.01 0.00 -0.53 1.28 -1.00 0.00 0.00 179.01 178.75 3kg6 n LEU 1878N -3.85 1.25 0.25 1.33 4.77 -0.79 -4.54 117.00 115.41 3kg6 n LEU 1878Ca 0.01 -0.64 0.09 0.00 -0.03 0.00 0.00 56.01 55.43 3kg6 n LEU 1878Cb 0.29 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.01 3kg6 n LEU 1878CO 0.28 0.26 0.96 0.71 -1.33 0.00 0.00 177.39 178.27 3kg6 h THR 1879N 1.01 0.89 -0.02 -5.08 1.35 -1.57 -2.71 112.91 106.78 3kg6 h THR 1879Ca 0.00 -0.49 -0.18 0.00 -0.55 0.00 0.00 66.41 65.19 3kg6 h THR 1879Cb 0.48 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 3kg6 h THR 1879CO 0.00 0.13 -0.81 0.00 -0.25 0.00 0.00 175.52 174.59 3kg6 h ALA 1880N 1.87 0.60 -0.48 6.62 0.00 -1.80 -3.19 119.26 122.87 3kg6 h ALA 1880Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3kg6 h ALA 1880Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kg6 h ALA 1880CO 0.02 0.87 0.00 0.00 0.00 0.00 0.00 179.25 180.13 3kg6 n GLN 1881N -3.71 2.14 -0.12 0.00 10.64 -1.03 -4.40 117.38 120.89 3kg6 n GLN 1881Ca -0.03 -1.73 -0.00 0.00 -1.83 0.00 0.00 57.00 53.41 3kg6 n GLN 1881Cb 0.76 -1.39 0.27 0.00 -0.86 0.00 0.00 30.24 29.02 3kg6 n GLN 1881CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 3kg6 h LEU 1882N 2.79 0.72 0.00 2.61 5.85 -1.52 -2.51 115.31 123.25 3kg6 h LEU 1882Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3kg6 h LEU 1882Cb 0.66 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3kg6 h LEU 1882CO 0.01 0.61 0.00 0.00 -0.34 0.00 0.00 178.44 178.72 3kg6 n ALA 1883N -2.45 2.01 0.35 1.25 0.00 -1.26 -3.21 120.51 117.19 3kg6 n ALA 1883Ca 0.05 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.53 3kg6 n ALA 1883Cb 0.12 -1.34 0.16 0.00 0.00 0.00 0.00 19.45 18.39 3kg6 n ALA 1883CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kg6 h ASP 1884N 0.00 0.00 -2.93 0.00 3.32 -1.77 -3.47 116.42 111.57 3kg6 h ASP 1884Ca 0.00 -0.06 -0.63 0.00 0.02 0.00 0.00 57.03 56.36 3kg6 h ASP 1884Cb 0.32 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.71 3kg6 h ASP 1884CO 0.00 0.03 -0.77 -0.31 -1.72 0.00 0.00 179.24 176.47 3kg6 s TYR 1885N -3.22 2.44 0.12 4.55 2.02 -1.20 -4.73 117.35 117.33 3kg6 s TYR 1885Ca 0.05 -0.30 -0.13 0.00 -0.37 0.00 0.00 57.07 56.32 3kg6 s TYR 1885Cb 0.10 -1.17 -0.05 0.00 -0.40 0.00 0.00 41.96 40.43 3kg6 s TYR 1885CO 0.70 0.54 1.47 1.96 -1.57 0.00 0.00 175.55 178.66 3kg6 h GLN 1886N 2.89 0.79 -2.12 -0.62 1.08 -1.87 -3.45 115.11 111.82 3kg6 h GLN 1886Ca -0.45 -0.38 0.04 0.00 -1.45 0.00 0.00 58.65 56.40 3kg6 h GLN 1886Cb 1.22 -0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 28.42 3kg6 h GLN 1886CO 0.52 1.01 -0.17 -1.17 -0.95 0.00 0.00 178.83 178.07 3kg6 s LEU 1887N -9.04 -1.01 0.12 1.46 2.96 -1.26 -4.37 118.68 107.54 3kg6 s LEU 1887Ca -0.12 1.44 -0.31 0.00 -0.22 0.00 0.00 54.13 54.92 3kg6 s LEU 1887Cb 0.10 2.10 -0.10 0.00 0.50 0.00 0.00 46.19 48.79 3kg6 s LEU 1887CO 0.84 -0.22 1.84 -2.28 -1.32 0.00 0.00 176.35 175.21 3kg6 s HIS 1888N 2.72 2.07 0.43 5.38 5.65 -1.26 -4.84 115.29 125.44 3kg6 s HIS 1888Ca -0.05 -0.06 0.21 0.00 0.25 0.00 0.00 55.06 55.41 3kg6 s HIS 1888Cb -0.11 -4.19 1.18 0.00 -1.18 0.00 0.00 32.58 28.28 3kg6 s HIS 1888CO -0.18 -4.93 1.81 -1.35 -0.65 0.00 0.00 174.74 169.44 3kg6 h PRO 1889N 8.77 0.31 0.00 2.88 0.11 -1.98 0.20 132.00 142.29 3kg6 h PRO 1889Ca -0.46 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 3kg6 h PRO 1889Cb 1.22 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3kg6 h PRO 1889CO 0.95 0.20 -0.55 0.00 -0.21 0.00 0.00 178.00 178.39 3kg6 h ALA 1890N 1.59 0.95 -0.06 -0.75 0.00 -1.89 -1.49 119.26 117.60 3kg6 h ALA 1890Ca 0.53 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3kg6 h ALA 1890Cb 1.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3kg6 h ALA 1890CO -0.19 0.68 -0.28 1.25 0.00 0.00 0.00 179.25 180.71 3kg6 h LEU 1891N 0.00 0.35 -0.54 0.00 5.85 -0.95 -2.87 115.31 117.16 3kg6 h LEU 1891Ca -0.01 -0.65 -0.13 0.00 0.84 0.00 0.00 57.88 57.93 3kg6 h LEU 1891Cb 1.07 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3kg6 h LEU 1891CO 0.07 0.94 -0.23 0.25 -0.34 0.00 0.00 178.44 179.13 3kg6 h LEU 1892N -0.22 0.96 -1.50 2.25 5.85 -1.38 -2.97 115.31 118.31 3kg6 h LEU 1892Ca -0.02 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 3kg6 h LEU 1892Cb 0.93 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3kg6 h LEU 1892CO 0.06 1.15 0.20 -0.78 -0.34 0.00 0.00 178.44 178.72 3kg6 h ASP 1893N 0.81 0.48 -0.40 1.25 1.82 -1.35 -0.77 116.42 118.25 3kg6 h ASP 1893Ca 0.10 -0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.70 3kg6 h ASP 1893Cb 0.80 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.66 3kg6 h ASP 1893CO 0.07 0.40 0.23 0.00 -1.61 0.00 0.00 179.24 178.33 3kg6 h ALA 1894N 1.68 1.60 -0.23 -0.78 0.00 -1.34 -1.28 119.26 118.91 3kg6 h ALA 1894Ca 0.14 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 3kg6 h ALA 1894Cb 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kg6 h ALA 1894CO -0.02 0.34 -0.60 0.00 0.00 0.00 0.00 179.25 178.96 3kg6 h ALA 1895N 1.66 0.50 -0.02 0.00 0.00 -1.17 -3.04 119.26 117.19 3kg6 h ALA 1895Ca 0.15 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3kg6 h ALA 1895Cb 0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kg6 h ALA 1895CO -0.02 0.69 0.02 0.74 0.00 0.00 0.00 179.25 180.67 3kg6 h PHE 1896N 0.57 0.00 0.00 0.00 -1.00 -0.38 -2.62 116.94 113.51 3kg6 h PHE 1896Ca -0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 3kg6 h PHE 1896Cb 1.20 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.76 3kg6 h PHE 1896CO 0.07 0.00 -0.07 1.96 -1.61 0.00 0.00 178.31 178.66 3kg6 h GLN 1897N 0.00 0.00 0.00 1.51 4.20 -1.14 -2.79 115.11 116.89 3kg6 h GLN 1897Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3kg6 h GLN 1897Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3kg6 h GLN 1897CO -0.00 0.07 -0.40 0.44 -0.67 0.00 0.00 178.83 178.27 3kg6 n ILE 1898N -3.33 0.01 -0.36 2.54 -5.35 -0.99 -4.25 119.36 107.64 3kg6 n ILE 1898Ca -0.01 -0.01 -0.02 0.00 -0.27 0.00 0.00 62.75 62.44 3kg6 n ILE 1898Cb 0.25 0.07 0.11 0.00 -1.74 0.00 0.00 39.64 38.33 3kg6 n ILE 1898CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3kg6 h VAL 1899N 0.00 1.22 -0.18 7.28 2.07 -1.63 -1.94 116.25 123.08 3kg6 h VAL 1899Ca 0.00 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.13 3kg6 h VAL 1899Cb 0.51 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3kg6 h VAL 1899CO 0.00 0.23 0.15 0.28 0.02 0.00 0.00 177.57 178.25 3kg6 h SER 1900N 1.28 0.00 -0.01 0.57 0.02 -1.79 0.35 113.55 113.97 3kg6 h SER 1900Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3kg6 h SER 1900Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 3kg6 h SER 1900CO -0.09 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.38 3kg6 n TYR 1901N -4.26 0.01 -0.01 3.45 4.01 -0.73 -3.43 117.16 116.20 3kg6 n TYR 1901Ca 0.01 -0.01 0.05 0.00 -0.16 0.00 0.00 57.90 57.80 3kg6 n TYR 1901Cb 0.28 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.20 3kg6 n TYR 1901CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kg6 n ALA 1902N -0.75 2.37 -3.15 -0.72 0.00 0.10 -4.43 120.51 113.94 3kg6 n ALA 1902Ca 0.20 -0.40 -0.34 0.00 0.00 0.00 0.00 53.44 52.90 3kg6 n ALA 1902Cb 0.13 -0.39 -0.13 0.00 0.00 0.00 0.00 19.45 19.06 3kg6 n ALA 1902CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3kg6 s ILE 1903N -2.84 3.71 -0.04 0.00 -4.36 -1.17 -4.09 121.20 112.42 3kg6 s ILE 1903Ca -0.05 -0.40 0.23 0.00 -0.26 0.00 0.00 60.65 60.17 3kg6 s ILE 1903Cb 0.08 -2.66 0.24 0.00 1.25 0.00 0.00 42.46 41.38 3kg6 s ILE 1903CO 0.55 0.45 1.73 -0.65 0.24 0.00 0.00 174.94 177.27 3kg6 h PRO 1904N 7.35 0.00 -0.18 0.37 0.11 -1.93 -3.26 132.00 134.46 3kg6 h PRO 1904Ca -0.35 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.66 3kg6 h PRO 1904Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3kg6 h PRO 1904CO 0.61 0.21 -0.35 1.25 -0.21 0.00 0.00 178.00 179.50 3kg6 h HIS 1905N 0.00 0.44 -1.56 0.65 2.76 -1.95 -3.44 115.15 112.05 3kg6 h HIS 1905Ca -0.00 -0.11 -0.64 0.00 -2.20 0.00 0.00 60.37 57.42 3kg6 h HIS 1905Cb 0.89 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.74 3kg6 h HIS 1905CO 0.00 0.69 1.33 0.25 -1.30 0.00 0.00 177.93 178.90 3kg6 n THR 1906N -4.06 0.33 -2.23 6.26 -2.24 -1.23 -4.92 114.28 106.19 3kg6 n THR 1906Ca -0.01 -0.26 -0.39 0.00 -2.27 0.00 0.00 64.05 61.13 3kg6 n THR 1906Cb 0.46 -1.89 -0.02 0.00 -2.10 0.00 0.00 70.33 66.78 3kg6 n THR 1906CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kg6 s GLU 1907N 5.57 4.06 0.38 -0.78 0.41 -1.26 -4.94 118.70 122.15 3kg6 s GLU 1907Ca 1.03 1.94 0.06 0.00 -0.41 0.00 0.00 54.97 57.58 3kg6 s GLU 1907Cb -0.71 -2.73 0.77 0.00 -1.78 0.00 0.00 34.13 29.68 3kg6 s GLU 1907CO 0.47 -0.34 2.00 1.15 -0.49 0.00 0.00 175.26 178.06 3kg6 h THR 1908N 2.42 1.14 0.00 3.63 2.02 -1.97 -2.64 112.91 117.50 3kg6 h THR 1908Ca -0.49 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.33 3kg6 h THR 1908Cb 1.24 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3kg6 h THR 1908CO 0.63 0.15 -0.46 -2.24 0.37 0.00 0.00 175.52 173.97 3kg6 h ASP 1909N 0.57 0.00 -3.09 4.18 2.03 -2.01 -3.48 116.42 114.63 3kg6 h ASP 1909Ca 0.15 -0.13 -0.58 0.00 -0.73 0.00 0.00 57.03 55.73 3kg6 h ASP 1909Cb 0.04 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.50 3kg6 h ASP 1909CO -0.02 0.07 -0.35 -0.54 -1.03 0.00 0.00 179.24 177.36 3kg6 s LYS 1910N -3.17 3.58 -0.10 4.15 1.02 -1.00 -4.94 119.74 119.28 3kg6 s LYS 1910Ca 0.07 -0.18 -0.04 0.00 0.02 0.00 0.00 55.97 55.85 3kg6 s LYS 1910Cb 0.12 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 3kg6 s LYS 1910CO 0.69 0.49 0.05 0.42 -0.92 0.00 0.00 175.35 176.08 3kg6 s ILE 1911N -1.65 4.69 -0.25 2.17 -1.09 -1.26 -4.77 121.20 119.04 3kg6 s ILE 1911Ca 0.40 -0.10 0.01 0.00 -2.23 0.00 0.00 60.65 58.73 3kg6 s ILE 1911Cb -0.12 -3.01 0.07 0.00 -1.58 0.00 0.00 42.46 37.82 3kg6 s ILE 1911CO 0.26 0.60 -0.05 -0.31 -1.23 0.00 0.00 174.94 174.21 3kg6 s TYR 1912N -0.83 2.67 -0.12 3.97 2.02 -1.26 -1.45 117.35 122.36 3kg6 s TYR 1912Ca 0.13 -1.99 -0.05 0.00 -0.37 0.00 0.00 57.07 54.79 3kg6 s TYR 1912Cb -0.12 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.62 3kg6 s TYR 1912CO 0.03 -0.82 0.05 -0.51 -1.57 0.00 0.00 175.55 172.73 3kg6 s LEU 1913N 1.30 3.85 0.27 -1.29 1.02 0.12 -4.81 118.68 119.14 3kg6 s LEU 1913Ca -0.04 0.21 -0.30 0.00 0.02 0.00 0.00 54.13 54.02 3kg6 s LEU 1913Cb -0.19 -1.92 -0.13 0.00 0.02 0.00 0.00 46.19 43.97 3kg6 s LEU 1913CO -0.07 0.34 1.45 -2.65 0.02 0.00 0.00 176.35 175.43 3kg6 n PRO 1914N 2.45 2.23 0.00 1.29 -0.02 -1.26 -0.13 135.00 139.56 3kg6 n PRO 1914Ca -0.18 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3kg6 n PRO 1914Cb 0.54 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3kg6 n PRO 1914CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3kg6 n VAL 1915N 1.77 0.00 -3.54 -1.45 0.24 0.09 -4.82 118.33 110.62 3kg6 n VAL 1915Ca 0.10 -0.19 -0.15 0.00 -2.04 0.00 0.00 64.34 62.05 3kg6 n VAL 1915Cb 0.33 0.69 -0.06 0.00 -1.47 0.00 0.00 33.84 33.33 3kg6 n VAL 1915CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3kg6 s GLY 1916N -1.54 -0.47 -0.04 7.63 0.00 -1.12 -0.33 107.32 111.44 3kg6 s GLY 1916Ca 0.00 1.60 0.01 0.00 0.00 0.00 0.00 44.72 46.33 3kg6 s GLY 1916CO 0.00 1.03 -0.04 0.14 0.00 0.00 0.00 173.10 174.23 3kg6 s VAL 1917N -1.08 0.48 -0.11 1.40 1.01 -0.42 -0.24 120.40 121.43 3kg6 s VAL 1917Ca -0.07 -0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.53 3kg6 s VAL 1917Cb -0.00 -0.51 -0.24 0.00 0.00 0.00 0.00 36.38 35.63 3kg6 s VAL 1917CO 0.07 0.20 0.83 -0.33 0.00 0.00 0.00 175.10 175.87 3kg6 h GLU 1918N 7.05 -0.01 -3.22 2.72 5.08 -0.94 0.11 114.58 125.37 3kg6 h GLU 1918Ca -0.38 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.78 3kg6 h GLU 1918Cb 1.15 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.12 3kg6 h GLU 1918CO 0.48 0.85 -0.53 0.15 -1.00 0.00 0.00 179.01 178.96 3kg6 s LYS 1919N -2.59 0.18 -0.17 2.33 1.02 -0.64 -1.13 119.74 118.74 3kg6 s LYS 1919Ca -0.18 0.35 -0.01 0.00 0.02 0.00 0.00 55.97 56.15 3kg6 s LYS 1919Cb -0.02 -0.03 0.05 0.00 -0.52 0.00 0.00 37.83 37.31 3kg6 s LYS 1919CO 0.65 -0.10 -0.02 0.12 -0.92 0.00 0.00 175.35 175.09 3kg6 s PHE 1920N 0.67 1.39 -0.03 3.18 5.36 0.21 0.71 117.98 129.47 3kg6 s PHE 1920Ca -0.05 -0.92 0.04 0.00 -0.96 0.00 0.00 56.93 55.04 3kg6 s PHE 1920Cb -0.06 -1.17 -0.01 0.00 -0.34 0.00 0.00 43.02 41.44 3kg6 s PHE 1920CO -0.04 -0.58 -0.16 0.15 -1.46 0.00 0.00 175.22 173.14 3kg6 s LYS 1921N 1.74 1.44 -0.09 10.12 1.02 0.32 -1.36 119.74 132.92 3kg6 s LYS 1921Ca 0.00 -0.55 0.04 0.00 0.02 0.00 0.00 55.97 55.49 3kg6 s LYS 1921Cb -0.16 -1.32 -0.00 0.00 -0.52 0.00 0.00 37.83 35.83 3kg6 s LYS 1921CO -0.07 0.28 -0.24 -0.48 -0.92 0.00 0.00 175.35 173.92 3kg6 s LEU 1922N -0.15 2.07 -0.15 3.17 0.05 -1.26 -0.27 118.68 122.14 3kg6 s LEU 1922Ca 0.01 -0.54 0.17 0.00 0.05 0.00 0.00 54.13 53.82 3kg6 s LEU 1922Cb -0.09 -1.38 -0.24 0.00 -2.05 0.00 0.00 46.19 42.44 3kg6 s LEU 1922CO 0.01 0.17 0.13 -1.22 -0.55 0.00 0.00 176.35 174.89 3kg6 n TYR 1923N 3.41 0.00 -4.67 3.48 4.02 0.21 -4.90 117.16 118.71 3kg6 n TYR 1923Ca -0.19 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.39 3kg6 n TYR 1923Cb 0.53 -0.81 -0.12 0.00 -0.02 0.00 0.00 39.34 38.91 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 -2.61 2.29 -0.04 -0.72 3.52 -1.22 -5.07 118.95 115.09 3kg6 s ARG 1924Ca -0.09 -0.85 -0.25 0.00 -0.13 0.00 0.00 55.73 54.41 3kg6 s ARG 1924Cb 0.07 -2.31 -0.21 0.00 -1.56 0.00 0.00 34.95 30.93 3kg6 s ARG 1924CO 0.76 0.57 1.13 0.37 -0.81 0.00 0.00 175.30 177.33 3kg6 h GLN 1925N 4.72 0.09 -1.85 5.12 5.75 -1.90 -3.39 115.11 123.65 3kg6 h GLN 1925Ca -0.47 -0.07 -0.54 0.00 -0.15 0.00 0.00 58.65 57.41 3kg6 h GLN 1925Cb 1.16 0.01 -0.41 0.00 1.07 0.00 0.00 27.48 29.31 3kg6 h GLN 1925CO 0.50 0.72 -0.85 -2.37 -2.65 0.00 0.00 178.83 174.18 3kg6 n THR 1926N -4.68 1.96 -2.24 2.39 5.66 -1.26 -4.46 114.28 111.65 3kg6 n THR 1926Ca -0.09 -4.87 -0.40 0.00 -3.05 0.00 0.00 64.05 55.64 3kg6 n THR 1926Cb 0.37 -0.86 -0.03 0.00 -1.55 0.00 0.00 70.33 68.26 3kg6 n THR 1926CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3kg6 s ILE 1927N -4.18 2.99 0.00 1.09 -0.00 -1.26 -4.93 121.20 114.91 3kg6 s ILE 1927Ca 0.44 0.99 0.00 0.00 -0.00 0.00 0.00 60.65 62.08 3kg6 s ILE 1927Cb 0.35 -3.63 0.00 0.00 -0.00 0.00 0.00 42.46 39.18 3kg6 s ILE 1927CO -0.12 0.23 0.00 -1.54 -0.00 0.00 0.00 174.94 173.52 3kg6 n SER 1928N 0.90 1.43 -4.05 4.36 3.41 -1.26 -4.83 113.62 113.58 3kg6 n SER 1928Ca -0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.28 3kg6 n SER 1928Cb 0.43 0.11 -0.14 0.00 -0.26 0.00 0.00 64.21 64.35 3kg6 n SER 1928CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3kg6 s GLN 1929N -1.30 1.71 0.23 4.33 -0.21 -1.26 -4.33 119.66 118.82 3kg6 s GLN 1929Ca 0.00 -1.78 0.02 0.00 0.02 0.00 0.00 55.36 53.62 3kg6 s GLN 1929Cb 0.00 -3.25 -0.05 0.00 1.00 0.00 0.00 33.01 30.71 3kg6 s GLN 1929CO 0.00 -0.91 0.04 0.14 -2.12 0.00 0.00 175.29 172.44 3kg6 s VAL 1930N 0.99 0.73 -0.10 1.09 -7.23 -1.26 -4.76 120.40 109.85 3kg6 s VAL 1930Ca 0.08 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.24 3kg6 s VAL 1930Cb -0.20 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.31 3kg6 s VAL 1930CO -0.07 -0.23 -0.09 0.26 -0.31 0.00 0.00 175.10 174.67 3kg6 s TRP 1931N -3.63 2.90 -0.16 2.82 0.52 -0.10 -1.34 118.94 119.95 3kg6 s TRP 1931Ca 0.31 -0.25 -0.07 0.00 0.02 0.00 0.00 56.10 56.10 3kg6 s TRP 1931Cb 0.07 -1.80 -0.04 0.00 -1.15 0.00 0.00 33.47 30.55 3kg6 s TRP 1931CO 0.09 0.08 0.09 0.00 0.02 0.00 0.00 176.95 177.23 3kg6 s ALA 1932N -0.20 3.58 -0.11 0.98 0.00 0.87 -1.31 121.76 125.58 3kg6 s ALA 1932Ca 0.02 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.30 3kg6 s ALA 1932Cb -0.13 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.05 3kg6 s ALA 1932CO 0.03 0.32 -0.21 0.42 0.00 0.00 0.00 175.76 176.32 3kg6 s ILE 1933N -0.10 1.91 -0.06 0.00 1.01 0.28 -1.57 121.20 122.67 3kg6 s ILE 1933Ca 0.08 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.86 3kg6 s ILE 1933Cb -0.12 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 3kg6 s ILE 1933CO 0.01 0.53 -0.21 0.00 0.00 0.00 0.00 174.94 175.26 3kg6 s ALA 1934N 0.55 2.34 -0.03 9.38 0.00 0.02 -0.69 121.76 133.34 3kg6 s ALA 1934Ca -0.14 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.80 3kg6 s ALA 1934Cb -0.17 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.18 3kg6 s ALA 1934CO 0.05 0.45 -0.03 -1.21 0.00 0.00 0.00 175.76 175.01 3kg6 s GLU 1935N -0.31 0.51 0.40 0.00 2.02 -0.42 -0.60 118.70 120.30 3kg6 s GLU 1935Ca 0.01 -0.07 -0.26 0.00 0.02 0.00 0.00 54.97 54.68 3kg6 s GLU 1935Cb -0.13 -0.56 -0.09 0.00 0.10 0.00 0.00 34.13 33.45 3kg6 s GLU 1935CO 0.02 -0.03 1.25 -1.50 0.02 0.00 0.00 175.26 175.02 3kg6 s ILE 1936N 0.59 2.84 0.28 -1.63 2.07 -0.42 -0.53 121.20 124.40 3kg6 s ILE 1936Ca -0.07 0.73 0.08 0.00 -1.41 0.00 0.00 60.65 59.99 3kg6 s ILE 1936Cb -0.10 -3.42 -0.04 0.00 0.13 0.00 0.00 42.46 39.03 3kg6 s ILE 1936CO -0.01 0.09 0.12 -0.13 -1.91 0.00 0.00 174.94 173.11 3kg6 s ARG 1937N -2.25 2.60 0.45 3.50 0.52 -0.62 -4.81 118.95 118.33 3kg6 s ARG 1937Ca 0.57 -1.28 0.18 0.00 -0.52 0.00 0.00 55.73 54.68 3kg6 s ARG 1937Cb -0.35 -2.35 1.04 0.00 0.52 0.00 0.00 34.95 33.81 3kg6 s ARG 1937CO 0.45 0.32 1.96 -0.56 0.02 0.00 0.00 175.30 177.48 3kg6 h GLN 1938N 1.62 0.00 -6.76 3.54 3.07 -1.97 -3.43 115.11 111.18 3kg6 h GLN 1938Ca -0.46 0.00 -0.52 0.00 0.09 0.00 0.00 58.65 57.76 3kg6 h GLN 1938Cb 1.25 0.00 0.05 0.00 0.08 0.00 0.00 27.48 28.86 3kg6 h GLN 1938CO 0.61 0.22 0.71 0.99 0.09 0.00 0.00 178.83 181.45 3kg6 s THR 1939N -4.34 2.79 0.24 1.86 2.01 -1.26 -4.95 115.64 111.99 3kg6 s THR 1939Ca -0.03 0.69 -0.31 0.00 0.31 0.00 0.00 61.69 62.34 3kg6 s THR 1939Cb 0.14 -3.44 -0.13 0.00 0.01 0.00 0.00 72.50 69.09 3kg6 s THR 1939CO 0.67 0.12 1.55 0.59 -0.69 0.00 0.00 174.62 176.86 3kg6 n ASN 1940N 2.07 3.38 -2.56 3.53 3.02 -1.26 -2.69 115.26 120.75 3kg6 n ASN 1940Ca 0.05 1.12 -0.21 0.00 -0.03 0.00 0.00 54.58 55.51 3kg6 n ASN 1940Cb 0.41 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.08 3kg6 n ASN 1940CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kg6 n LEU 1941N 2.65 -2.14 -4.27 3.41 4.77 -1.26 -4.86 117.00 115.30 3kg6 n LEU 1941Ca 0.12 -0.09 -0.28 0.00 -0.03 0.00 0.00 56.01 55.73 3kg6 n LEU 1941Cb 0.33 -2.96 -0.15 0.00 -2.33 0.00 0.00 43.42 38.31 3kg6 n LEU 1941CO 0.63 -0.10 -0.54 -0.89 -1.33 0.00 0.00 177.39 175.16 3kg6 s THR 1942N -3.08 1.81 0.02 -5.08 2.01 -1.09 -1.33 115.64 108.89 3kg6 s THR 1942Ca 0.08 -1.08 -0.15 0.00 0.31 0.00 0.00 61.69 60.85 3kg6 s THR 1942Cb -0.03 -1.53 0.03 0.00 0.01 0.00 0.00 72.50 70.97 3kg6 s THR 1942CO 0.10 0.42 0.33 0.00 -0.69 0.00 0.00 174.62 174.79 3kg6 s ALA 1943N -0.63 -0.81 0.14 7.40 0.00 -0.80 -1.59 121.76 125.47 3kg6 s ALA 1943Ca 0.09 0.22 -0.04 0.00 0.00 0.00 0.00 51.96 52.24 3kg6 s ALA 1943Cb -0.09 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 3kg6 s ALA 1943CO 0.00 -0.35 0.35 -0.80 0.00 0.00 0.00 175.76 174.96 3kg6 s ASN 1944N -1.72 6.46 -0.03 0.00 0.01 0.31 0.04 114.94 120.01 3kg6 s ASN 1944Ca -0.09 0.53 0.02 0.00 -0.71 0.00 0.00 52.86 52.61 3kg6 s ASN 1944Cb -0.03 -2.07 0.01 0.00 0.41 0.00 0.00 41.25 39.58 3kg6 s ASN 1944CO 0.00 0.06 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.95 3kg6 s ILE 1945N -1.65 0.68 0.03 0.60 1.01 0.57 -1.30 121.20 121.13 3kg6 s ILE 1945Ca 0.40 -0.28 0.09 0.00 0.00 0.00 0.00 60.65 60.86 3kg6 s ILE 1945Cb -0.12 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 3kg6 s ILE 1945CO 0.25 0.23 -0.26 -0.36 0.00 0.00 0.00 174.94 174.80 3kg6 s PHE 1946N 0.38 2.33 -0.20 3.97 0.08 0.14 -0.44 117.98 124.24 3kg6 s PHE 1946Ca -0.06 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.57 3kg6 s PHE 1946Cb -0.10 -1.41 0.01 0.00 -0.57 0.00 0.00 43.02 40.95 3kg6 s PHE 1946CO 0.00 0.09 -0.13 -0.51 -0.10 0.00 0.00 175.22 174.58 3kg6 s LEU 1947N -1.12 2.53 0.33 -0.37 1.02 -0.30 -0.55 118.68 120.23 3kg6 s LEU 1947Ca 0.11 -0.58 0.07 0.00 0.02 0.00 0.00 54.13 53.76 3kg6 s LEU 1947Cb -0.10 -1.60 -0.07 0.00 0.02 0.00 0.00 46.19 44.45 3kg6 s LEU 1947CO 0.01 -0.02 -0.03 0.68 0.02 0.00 0.00 176.35 177.02 3kg6 s VAL 1948N 1.36 1.76 0.00 -1.59 -7.23 -0.42 0.08 120.40 114.36 3kg6 s VAL 1948Ca 0.05 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 3kg6 s VAL 1948Cb -0.14 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.11 3kg6 s VAL 1948CO -0.08 -0.15 0.00 -0.90 -0.31 0.00 0.00 175.10 173.66 3kg6 n ASP 1949N -0.74 0.00 0.14 4.85 3.85 -0.99 -0.92 116.55 122.73 3kg6 n ASP 1949Ca -0.05 -0.28 -0.01 0.00 -0.71 0.00 0.00 54.79 53.74 3kg6 n ASP 1949Cb 0.65 0.00 0.20 0.00 -1.35 0.00 0.00 41.12 40.62 3kg6 n ASP 1949CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.20 176.97 3kg6 h ASN 1950N 0.00 0.02 0.40 -1.12 2.35 -1.92 -2.88 115.58 112.43 3kg6 h ASN 1950Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3kg6 h ASN 1950Cb 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3kg6 h ASN 1950CO 0.00 0.59 -0.28 0.00 -1.65 0.00 0.00 177.43 176.09 3kg6 n GLN 1951N -3.86 0.49 -0.44 0.81 6.02 -1.26 -4.95 117.38 114.19 3kg6 n GLN 1951Ca -0.01 -0.25 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 3kg6 n GLN 1951Cb 0.58 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.34 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 1.39 0.75 3.69 1.08 0.00 -1.09 -4.77 105.19 106.24 3kg6 n GLY 1952Ca 0.10 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 4.15 -0.12 2.61 2.01 -1.26 -1.27 115.64 119.76 3kg6 s THR 1953Ca 0.00 1.50 -0.29 0.00 0.31 0.00 0.00 61.69 63.21 3kg6 s THR 1953Cb 0.00 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 3kg6 s THR 1953CO 0.00 0.02 1.67 -0.69 -0.69 0.00 0.00 174.62 174.94 3kg6 s VAL 1954N 2.00 3.59 -0.26 3.82 1.01 0.46 -2.36 120.40 128.66 3kg6 s VAL 1954Ca 0.57 0.69 -0.07 0.00 0.00 0.00 0.00 61.98 63.18 3kg6 s VAL 1954Cb -0.26 -3.52 -0.13 0.00 0.00 0.00 0.00 36.38 32.47 3kg6 s VAL 1954CO 0.24 -0.14 -0.29 0.18 0.00 0.00 0.00 175.10 175.09 3kg6 n LEU 1955N 7.84 2.33 -4.21 3.92 4.77 0.11 -4.72 117.00 127.05 3kg6 n LEU 1955Ca 0.18 0.13 -0.30 0.00 -0.03 0.00 0.00 56.01 55.99 3kg6 n LEU 1955Cb 0.44 -0.81 -0.17 0.00 -2.33 0.00 0.00 43.42 40.55 3kg6 n LEU 1955CO 0.63 0.70 -0.54 -0.69 -1.33 0.00 0.00 177.39 176.17 3kg6 s VAL 1956N -2.49 1.85 -0.19 4.08 1.01 -0.68 0.67 120.40 124.66 3kg6 s VAL 1956Ca -0.35 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.70 3kg6 s VAL 1956Cb 0.12 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.93 3kg6 s VAL 1956CO 0.51 0.52 -0.17 -0.70 0.00 0.00 0.00 175.10 175.25 3kg6 s GLU 1957N 0.09 3.02 -0.22 2.72 2.12 0.62 -1.14 118.70 125.91 3kg6 s GLU 1957Ca -0.09 -0.82 0.01 0.00 0.36 0.00 0.00 54.97 54.43 3kg6 s GLU 1957Cb -0.15 -2.66 0.05 0.00 0.26 0.00 0.00 34.13 31.63 3kg6 s GLU 1957CO 0.05 -0.22 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.27 3kg6 s LEU 1958N 1.31 2.64 -0.18 2.70 0.20 0.42 -0.52 118.68 125.25 3kg6 s LEU 1958Ca 0.05 -1.05 -0.08 0.00 0.69 0.00 0.00 54.13 53.74 3kg6 s LEU 1958Cb -0.13 -1.35 -0.04 0.00 -0.43 0.00 0.00 46.19 44.23 3kg6 s LEU 1958CO -0.11 -0.15 0.08 -0.70 -0.29 0.00 0.00 176.35 175.18 3kg6 s GLU 1959N 1.30 3.96 -0.91 1.98 2.12 0.22 -0.32 118.70 127.05 3kg6 s GLU 1959Ca -0.03 -0.30 -0.03 0.00 0.36 0.00 0.00 54.97 54.96 3kg6 s GLU 1959Cb -0.17 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 3kg6 s GLU 1959CO -0.08 0.33 0.78 0.41 -0.54 0.00 0.00 175.26 176.17 3kg6 n GLY 1960N 3.38 -0.61 3.59 -1.50 0.00 -1.19 -1.62 105.19 107.25 3kg6 n GLY 1960Ca -0.17 0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.19 3.49 0.04 0.99 2.96 0.11 -2.38 118.68 118.70 3kg6 s LEU 1961Ca 0.25 0.46 -0.20 0.00 -0.22 0.00 0.00 54.13 54.42 3kg6 s LEU 1961Cb -0.03 -3.29 -0.06 0.00 0.50 0.00 0.00 46.19 43.31 3kg6 s LEU 1961CO 0.61 -1.54 0.59 -0.60 -1.32 0.00 0.00 176.35 174.09 3kg6 s ARG 1962N 5.13 4.26 -0.00 1.98 3.52 0.66 -1.90 118.95 132.61 3kg6 s ARG 1962Ca 0.54 0.75 0.05 0.00 -0.13 0.00 0.00 55.73 56.94 3kg6 s ARG 1962Cb -0.11 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 29.99 3kg6 s ARG 1962CO 0.28 0.53 -0.15 0.08 -0.81 0.00 0.00 175.30 175.23 3kg6 s VAL 1963N -0.73 1.21 0.12 7.11 1.01 -0.44 -0.73 120.40 127.94 3kg6 s VAL 1963Ca 0.30 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.63 3kg6 s VAL 1963Cb -0.19 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3kg6 s VAL 1963CO 0.19 0.30 -0.15 -0.75 0.00 0.00 0.00 175.10 174.68 3kg6 s LYS 1964N -0.48 1.03 0.27 2.72 2.20 0.82 -4.84 119.74 121.45 3kg6 s LYS 1964Ca 0.05 -1.21 -0.29 0.00 -0.36 0.00 0.00 55.97 54.16 3kg6 s LYS 1964Cb -0.06 -0.97 -0.10 0.00 -1.51 0.00 0.00 37.83 35.19 3kg6 s LYS 1964CO -0.00 0.20 1.24 0.08 -0.36 0.00 0.00 175.35 176.50 3kg6 s VAL 1965N -1.93 3.13 -0.03 4.02 1.01 -1.26 0.16 120.40 125.50 3kg6 s VAL 1965Ca 0.08 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.19 3kg6 s VAL 1965Cb -0.06 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3kg6 s VAL 1965CO 0.03 0.22 -0.25 -0.89 0.00 0.00 0.00 175.10 174.22 3kg6 s THR 1966N -0.73 1.98 0.00 3.92 2.01 -0.52 -4.87 115.64 117.42 3kg6 s THR 1966Ca 0.50 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 61.44 3kg6 s THR 1966Cb -0.36 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.50 3kg6 s THR 1966CO 0.44 0.56 0.09 -0.62 -0.69 0.00 0.00 174.62 174.40