#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ahs n LYS 1694N 0.00 1.74 0.12 3.17 -0.00 -1.26 -4.14 118.16 117.79 2ahs n LYS 1694Ca 0.00 -1.43 -0.01 0.00 -0.00 0.00 0.00 58.31 56.87 2ahs n LYS 1694Cb 0.00 -1.47 0.23 0.00 -0.00 0.00 0.00 35.03 33.79 2ahs n LYS 1694CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2ahs h LEU 1695N 3.49 0.13 -0.13 -5.58 3.38 -2.05 -2.74 115.31 111.81 2ahs h LEU 1695Ca 0.00 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2ahs h LEU 1695Cb 0.86 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2ahs h LEU 1695CO 0.00 0.60 -0.09 0.06 0.09 0.00 0.00 178.44 179.10 2ahs h GLN 1696N 0.10 0.29 -0.17 1.13 -0.00 -2.00 -0.09 115.11 114.37 2ahs h GLN 1696Ca 0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 58.65 58.50 2ahs h GLN 1696Cb 0.89 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.35 2ahs h GLN 1696CO 0.07 0.65 0.02 0.00 -0.00 0.00 0.00 178.83 179.57 2ahs h ALA 1697N 0.63 1.73 0.43 0.06 0.00 -1.78 0.34 119.26 120.67 2ahs h ALA 1697Ca 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2ahs h ALA 1697Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2ahs h ALA 1697CO 0.02 0.21 -0.20 -0.44 0.00 0.00 0.00 179.25 178.84 2ahs h ASP 1698N 0.24 -0.49 -0.73 0.00 3.45 -1.33 -2.04 116.42 115.52 2ahs h ASP 1698Ca 0.06 -0.11 0.10 0.00 0.43 0.00 0.00 57.03 57.51 2ahs h ASP 1698Cb 0.13 0.13 -0.07 0.00 -0.56 0.00 0.00 39.33 38.95 2ahs h ASP 1698CO -0.00 -0.09 0.37 0.28 -1.57 0.00 0.00 179.24 178.23 2ahs h SER 1699N -0.97 0.48 -0.80 6.45 0.02 -0.86 -1.55 113.55 116.32 2ahs h SER 1699Ca -0.06 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 2ahs h SER 1699Cb 0.56 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.03 2ahs h SER 1699CO 0.10 0.26 0.50 0.78 -1.14 0.00 0.00 176.83 177.33 2ahs h ASN 1700N 0.61 0.79 -0.24 3.07 2.35 -0.96 -1.44 115.58 119.76 2ahs h ASN 1700Ca 0.36 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.12 2ahs h ASN 1700Cb 0.40 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2ahs h ASN 1700CO -0.28 0.52 0.12 0.22 -1.65 0.00 0.00 177.43 176.36 2ahs h TYR 1701N 0.93 0.34 -0.26 1.19 5.03 -0.53 -2.06 116.97 121.61 2ahs h TYR 1701Ca 0.34 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.57 2ahs h TYR 1701Cb 0.12 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 2ahs h TYR 1701CO -0.04 0.32 -0.14 -0.07 -1.32 0.00 0.00 178.16 176.91 2ahs h LEU 1702N 0.26 0.43 -0.42 2.82 -0.00 -1.20 -2.43 115.31 114.77 2ahs h LEU 1702Ca 0.08 -0.11 -0.17 0.00 -0.00 0.00 0.00 57.88 57.69 2ahs h LEU 1702Cb 0.10 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2ahs h LEU 1702CO -0.01 0.60 -0.47 -0.07 -0.00 0.00 0.00 178.44 178.49 2ahs h LEU 1703N 0.41 0.88 -0.93 1.67 3.38 -1.09 -0.76 115.31 118.87 2ahs h LEU 1703Ca 0.07 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.62 2ahs h LEU 1703Cb 0.50 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2ahs h LEU 1703CO 0.03 1.21 0.61 0.28 0.09 0.00 0.00 178.44 180.66 2ahs h SER 1704N 0.64 1.07 0.03 -0.43 0.02 -1.16 -0.20 113.55 113.52 2ahs h SER 1704Ca 0.04 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ahs h SER 1704Cb 1.05 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2ahs h SER 1704CO 0.10 0.77 -0.01 0.11 -1.14 0.00 0.00 176.83 176.66 2ahs h LYS 1705N 1.26 -0.04 -0.50 3.45 6.56 -1.19 -1.47 116.57 124.64 2ahs h LYS 1705Ca 0.34 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 60.00 2ahs h LYS 1705Cb -0.14 0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 31.47 2ahs h LYS 1705CO -0.07 0.33 0.18 0.93 -2.06 0.00 0.00 179.45 178.76 2ahs h GLU 1706N -0.41 0.35 -0.58 3.15 5.08 -1.05 0.10 114.58 121.21 2ahs h GLU 1706Ca -0.00 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2ahs h GLU 1706Cb 0.38 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2ahs h GLU 1706CO 0.01 0.23 0.17 -0.92 -1.00 0.00 0.00 179.01 177.50 2ahs h TYR 1707N 0.36 0.90 -0.47 4.33 3.20 -0.99 -1.96 116.97 122.34 2ahs h TYR 1707Ca 0.24 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 2ahs h TYR 1707Cb 0.25 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 2ahs h TYR 1707CO -0.16 0.73 0.06 0.93 -1.64 0.00 0.00 178.16 178.09 2ahs h GLU 1708N 0.85 0.79 -0.00 1.82 3.07 -0.48 -2.82 114.58 117.82 2ahs h GLU 1708Ca 0.19 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2ahs h GLU 1708Cb 0.26 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.08 2ahs h GLU 1708CO -0.01 0.81 0.00 0.93 -1.40 0.00 0.00 179.01 179.34 2ahs h GLU 1709N 0.66 0.00 0.00 2.33 5.08 -0.44 -1.86 114.58 120.35 2ahs h GLU 1709Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2ahs h GLU 1709Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2ahs h GLU 1709CO 0.01 0.00 0.00 -0.07 -1.00 0.00 0.00 179.01 177.95 2ahs h LEU 1710N 0.00 0.00 -0.92 1.33 3.38 -1.12 -3.41 115.31 114.58 2ahs h LEU 1710Ca 0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 2ahs h LEU 1710Cb 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.58 2ahs h LEU 1710CO -0.00 0.00 -0.28 0.50 0.09 0.00 0.00 178.44 178.75 2ahs h LYS 1711N 0.00 -0.01 -0.17 1.13 1.63 -1.24 -2.03 116.57 115.88 2ahs h LYS 1711Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2ahs h LYS 1711Cb 0.69 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.32 2ahs h LYS 1711CO 0.00 -0.01 0.00 -0.25 -3.45 0.00 0.00 179.45 175.74 2ahs n ASP 1712N -5.55 3.17 -4.71 4.20 8.00 -1.26 -4.91 116.55 115.49 2ahs n ASP 1712Ca 0.13 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.22 2ahs n ASP 1712Cb 0.44 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 2ahs n ASP 1712CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ahs s VAL 1713N -1.78 2.22 0.00 2.53 1.01 -0.77 -1.65 120.40 121.96 2ahs s VAL 1713Ca 0.32 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2ahs s VAL 1713Cb 0.21 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.57 2ahs s VAL 1713CO 0.30 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2ahs n GLY 1714N 4.09 2.71 0.00 4.51 0.00 -1.26 -4.50 105.19 110.73 2ahs n GLY 1714Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 2ahs n GLY 1714CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ahs n ARG 1715N -2.00 0.26 -0.01 1.61 5.12 -0.66 -2.56 116.66 118.42 2ahs n ARG 1715Ca 0.00 0.03 0.13 0.00 -1.93 0.00 0.00 57.85 56.08 2ahs n ARG 1715Cb 0.00 -1.50 0.71 0.00 -1.16 0.00 0.00 32.46 30.51 2ahs n ARG 1715CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2ahs n ASN 1716N -1.36 0.34 -4.83 0.55 6.94 -1.26 -4.89 115.26 110.75 2ahs n ASN 1716Ca 0.11 -1.26 -0.37 0.00 -0.02 0.00 0.00 54.58 53.03 2ahs n ASN 1716Cb 0.25 -0.01 -0.06 0.00 -2.36 0.00 0.00 39.78 37.60 2ahs n ASN 1716CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2ahs s GLN 1717N -1.98 4.06 0.49 -3.83 -0.21 -1.06 -5.05 119.66 112.08 2ahs s GLN 1717Ca 0.39 0.58 -0.20 0.00 0.02 0.00 0.00 55.36 56.14 2ahs s GLN 1717Cb 0.18 -3.09 -0.08 0.00 1.00 0.00 0.00 33.01 31.02 2ahs s GLN 1717CO 0.31 0.57 1.04 -1.54 -2.12 0.00 0.00 175.29 173.54 2ahs s SER 1718N -1.40 6.34 -0.33 5.90 1.04 -1.26 -4.92 113.70 119.07 2ahs s SER 1718Ca 0.32 1.91 0.14 0.00 0.48 0.00 0.00 55.95 58.80 2ahs s SER 1718Cb -0.17 -2.56 0.46 0.00 0.10 0.00 0.00 66.02 63.85 2ahs s SER 1718CO 0.18 -0.78 1.07 0.00 0.98 0.00 0.00 173.24 174.69 2ahs h ASP 1720N 2.65 0.96 -0.48 0.00 3.32 -1.94 -3.12 116.42 117.82 2ahs h ASP 1720Ca 0.08 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 2ahs h ASP 1720Cb 1.20 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 2ahs h ASP 1720CO 0.56 0.92 0.19 0.40 -1.72 0.00 0.00 179.24 179.60 2ahs h ILE 1721N 0.94 1.21 -0.03 0.35 1.08 -1.91 -2.55 117.51 116.60 2ahs h ILE 1721Ca 0.21 -0.64 0.01 0.00 -0.39 0.00 0.00 64.86 64.04 2ahs h ILE 1721Cb 0.32 0.73 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 2ahs h ILE 1721CO -0.00 0.24 0.03 0.00 -0.69 0.00 0.00 178.15 177.73 2ahs h ALA 1722N 1.04 1.64 -0.40 1.87 0.00 -1.83 -2.46 119.26 119.13 2ahs h ALA 1722Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2ahs h ALA 1722Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2ahs h ALA 1722CO -0.01 -0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.47 2ahs n LEU 1723N -3.95 3.46 -4.76 0.00 4.77 -0.99 -4.15 117.00 111.39 2ahs n LEU 1723Ca -0.02 -1.49 -0.38 0.00 -0.03 0.00 0.00 56.01 54.09 2ahs n LEU 1723Cb 0.12 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 40.98 2ahs n LEU 1723CO 0.28 0.75 0.93 -0.76 -1.33 0.00 0.00 177.39 177.26 2ahs s LEU 1724N -1.48 3.89 0.24 2.23 1.43 -0.93 -4.80 118.68 119.26 2ahs s LEU 1724Ca 0.39 2.62 -0.04 0.00 -1.03 0.00 0.00 54.13 56.07 2ahs s LEU 1724Cb 0.23 -4.28 0.46 0.00 0.03 0.00 0.00 46.19 42.62 2ahs s LEU 1724CO 0.32 -1.39 1.74 -0.65 0.23 0.00 0.00 176.35 176.59 2ahs h PRO 1725N 1.59 0.46 0.00 1.29 0.11 -1.93 -0.67 132.00 132.86 2ahs h PRO 1725Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2ahs h PRO 1725Cb 1.29 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ahs h PRO 1725CO 0.58 0.30 0.00 -1.91 -0.21 0.00 0.00 178.00 176.76 2ahs n GLU 1726N -4.98 0.50 -0.00 1.05 4.07 -1.26 -2.39 120.64 117.63 2ahs n GLU 1726Ca 0.14 0.04 0.10 0.00 -0.06 0.00 0.00 57.16 57.38 2ahs n GLU 1726Cb 0.41 -1.50 -0.13 0.00 -0.06 0.00 0.00 31.44 30.15 2ahs n GLU 1726CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2ahs n ASN 1727N -1.20 0.73 -0.03 4.31 3.02 -0.28 -4.57 115.26 117.25 2ahs n ASN 1727Ca 0.14 -0.70 0.01 0.00 -0.03 0.00 0.00 54.58 54.00 2ahs n ASN 1727Cb 0.16 1.28 0.34 0.00 -0.61 0.00 0.00 39.78 40.95 2ahs n ASN 1727CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2ahs h ARG 1728N 0.00 0.59 0.00 3.52 3.08 -1.27 -1.38 114.38 118.92 2ahs h ARG 1728Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2ahs h ARG 1728Cb 0.63 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2ahs h ARG 1728CO 0.00 0.50 0.00 0.41 -1.07 0.00 0.00 179.97 179.81 2ahs n GLY 1729N -1.16 -0.82 1.02 0.04 0.00 -1.26 -3.10 105.19 99.91 2ahs n GLY 1729Ca 0.03 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.04 2ahs n GLY 1729CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ahs n LYS 1730N -1.09 2.37 -3.85 1.61 5.02 -0.52 -4.86 118.16 116.84 2ahs n LYS 1730Ca 0.15 -2.03 -0.36 0.00 -2.02 0.00 0.00 58.31 54.05 2ahs n LYS 1730Cb 0.11 -1.48 -0.13 0.00 -0.02 0.00 0.00 35.03 33.50 2ahs n LYS 1730CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2ahs s ASN 1731N -1.76 4.63 0.32 4.39 0.01 -1.18 -4.61 114.94 116.72 2ahs s ASN 1731Ca 0.33 -0.40 0.01 0.00 -0.71 0.00 0.00 52.86 52.10 2ahs s ASN 1731Cb 0.21 -1.80 0.53 0.00 0.41 0.00 0.00 41.25 40.59 2ahs s ASN 1731CO 0.31 -0.05 1.89 -0.09 -1.51 0.00 0.00 177.10 177.65 2ahs h ARG 1732N 8.16 0.75 -4.94 -0.60 2.43 -1.89 -3.41 114.38 114.88 2ahs h ARG 1732Ca -0.39 -0.12 -0.61 0.00 -0.81 0.00 0.00 59.98 58.05 2ahs h ARG 1732Cb 1.16 -0.13 -0.34 0.00 -0.42 0.00 0.00 29.97 30.24 2ahs h ARG 1732CO 0.60 0.64 -0.85 0.71 -1.51 0.00 0.00 179.97 179.55 2ahs s TYR 1733N -5.30 2.12 0.06 2.20 2.02 -1.26 -5.02 117.35 112.17 2ahs s TYR 1733Ca -0.09 -0.92 0.33 0.00 -0.37 0.00 0.00 57.07 56.01 2ahs s TYR 1733Cb 0.16 -1.48 1.47 0.00 -0.40 0.00 0.00 41.96 41.71 2ahs s TYR 1733CO 0.78 -0.43 1.98 -2.95 -1.57 0.00 0.00 175.55 173.36 2ahs h ASN 1734N 7.07 0.00 -0.06 2.29 7.08 -1.95 -2.85 115.58 127.16 2ahs h ASN 1734Ca -0.27 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.95 2ahs h ASN 1734Cb 1.20 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.44 2ahs h ASN 1734CO 0.49 0.00 0.00 -0.46 -2.08 0.00 0.00 177.43 175.38 2ahs n ASN 1735N -2.86 1.79 -4.12 6.14 6.94 -1.26 -4.87 115.26 117.02 2ahs n ASN 1735Ca 0.00 -1.58 -0.36 0.00 -0.02 0.00 0.00 54.58 52.62 2ahs n ASN 1735Cb 0.23 -0.04 -0.11 0.00 -2.36 0.00 0.00 39.78 37.50 2ahs n ASN 1735CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2ahs s ILE 1736N -0.65 3.41 0.08 1.53 1.01 -1.08 -5.07 121.20 120.43 2ahs s ILE 1736Ca 0.06 -2.17 0.05 0.00 0.00 0.00 0.00 60.65 58.59 2ahs s ILE 1736Cb 0.03 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 2ahs s ILE 1736CO 0.05 -0.72 -0.14 -0.76 0.00 0.00 0.00 174.94 173.36 2ahs s LEU 1737N 0.98 2.31 0.39 2.97 1.43 -1.26 -4.71 118.68 120.80 2ahs s LEU 1737Ca 0.09 -0.67 -0.24 0.00 -1.03 0.00 0.00 54.13 52.28 2ahs s LEU 1737Cb -0.23 -0.53 -0.09 0.00 0.03 0.00 0.00 46.19 45.37 2ahs s LEU 1737CO -0.04 -0.09 1.04 -2.16 0.23 0.00 0.00 176.35 175.33 2ahs s PRO 1738N -1.99 4.20 0.33 1.29 0.04 -1.26 -4.61 135.00 133.00 2ahs s PRO 1738Ca 0.01 1.49 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 2ahs s PRO 1738Cb -0.09 -2.55 -0.10 0.00 0.04 0.00 0.00 34.50 31.79 2ahs s PRO 1738CO 0.02 -0.11 1.37 0.71 0.04 0.00 0.00 177.00 179.03 2ahs s TYR 1739N -1.66 2.94 0.37 0.56 2.02 -1.26 -4.58 117.35 115.73 2ahs s TYR 1739Ca 0.57 1.30 0.10 0.00 -0.37 0.00 0.00 57.07 58.67 2ahs s TYR 1739Cb -0.22 -3.78 0.86 0.00 -0.40 0.00 0.00 41.96 38.42 2ahs s TYR 1739CO 0.27 -2.24 1.90 -0.44 -1.57 0.00 0.00 175.55 173.46 2ahs h ASP 1740N 3.55 0.60 0.84 2.29 3.32 -1.50 -1.56 116.42 123.95 2ahs h ASP 1740Ca -0.49 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 2ahs h ASP 1740Cb 1.23 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 2ahs h ASP 1740CO 0.67 0.32 -0.10 0.00 -1.72 0.00 0.00 179.24 178.41 2ahs h ALA 1741N 1.61 1.05 0.00 3.45 0.00 -1.92 -3.31 119.26 120.14 2ahs h ALA 1741Ca 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2ahs h ALA 1741Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ahs h ALA 1741CO -0.17 0.13 0.00 0.25 0.00 0.00 0.00 179.25 179.46 2ahs n THR 1742N -3.28 0.43 -1.92 0.00 -2.24 -0.84 -5.08 114.28 101.35 2ahs n THR 1742Ca -0.00 -0.43 -0.34 0.00 -2.27 0.00 0.00 64.05 61.00 2ahs n THR 1742Cb 0.33 0.80 0.04 0.00 -2.10 0.00 0.00 70.33 69.39 2ahs n THR 1742CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ahs s ARG 1743N -0.43 2.92 -0.15 -0.78 1.70 -0.65 -1.04 118.95 120.52 2ahs s ARG 1743Ca 0.00 1.60 -0.20 0.00 -0.47 0.00 0.00 55.73 56.66 2ahs s ARG 1743Cb 0.00 -1.95 -0.03 0.00 -0.57 0.00 0.00 34.95 32.40 2ahs s ARG 1743CO 0.00 -1.20 0.59 0.08 -1.08 0.00 0.00 175.30 173.70 2ahs s VAL 1744N -1.96 5.08 -0.00 4.99 1.01 -0.22 -4.73 120.40 124.56 2ahs s VAL 1744Ca 0.72 1.16 -0.15 0.00 0.00 0.00 0.00 61.98 63.71 2ahs s VAL 1744Cb -0.25 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 2ahs s VAL 1744CO 0.36 0.21 0.41 -0.54 0.00 0.00 0.00 175.10 175.54 2ahs s LYS 1745N 1.27 3.94 0.17 2.72 1.02 -1.26 -4.09 119.74 123.51 2ahs s LYS 1745Ca 0.29 0.42 -0.30 0.00 0.02 0.00 0.00 55.97 56.40 2ahs s LYS 1745Cb -0.16 -3.23 -0.07 0.00 -0.52 0.00 0.00 37.83 33.85 2ahs s LYS 1745CO 0.12 0.67 0.95 -0.51 -0.92 0.00 0.00 175.35 175.67 2ahs s LEU 1746N -1.02 4.57 -0.22 3.17 1.43 0.28 -5.00 118.68 121.89 2ahs s LEU 1746Ca 0.24 1.87 -0.06 0.00 -1.03 0.00 0.00 54.13 55.15 2ahs s LEU 1746Cb -0.17 -3.60 -0.11 0.00 0.03 0.00 0.00 46.19 42.34 2ahs s LEU 1746CO 0.13 0.03 -0.25 -1.54 0.23 0.00 0.00 176.35 174.96 2ahs n SER 1747N 2.20 1.92 -4.21 2.29 3.41 -1.26 -4.53 113.62 113.44 2ahs n SER 1747Ca 0.00 0.11 -0.43 0.00 -0.26 0.00 0.00 58.87 58.29 2ahs n SER 1747Cb 0.48 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 2ahs n SER 1747CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2ahs n ASN 1748N -3.63 4.78 -3.87 4.04 5.15 -1.26 -4.89 115.26 115.59 2ahs n ASN 1748Ca -0.41 -2.95 -0.10 0.00 -0.60 0.00 0.00 54.58 50.52 2ahs n ASN 1748Cb 0.85 -1.63 -0.08 0.00 -0.53 0.00 0.00 39.78 38.38 2ahs n ASN 1748CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2ahs s VAL 1749N 2.59 0.13 0.44 3.44 -7.23 -1.26 -5.13 120.40 113.38 2ahs s VAL 1749Ca 0.47 -1.06 -0.07 0.00 -1.81 0.00 0.00 61.98 59.50 2ahs s VAL 1749Cb 0.06 -1.10 0.11 0.00 0.56 0.00 0.00 36.38 36.01 2ahs s VAL 1749CO 0.01 -0.59 0.47 -0.90 -0.31 0.00 0.00 175.10 173.78 2ahs n ASP 1750N 0.39 -0.81 0.00 4.85 5.68 -1.26 -4.97 116.55 120.43 2ahs n ASP 1750Ca -0.17 -0.95 0.13 0.00 -0.50 0.00 0.00 54.79 53.30 2ahs n ASP 1750Cb 0.60 -0.40 0.77 0.00 -1.14 0.00 0.00 41.12 40.95 2ahs n ASP 1750CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2ahs n ASP 1751N -3.57 0.00 -4.75 -1.12 8.00 -1.26 -4.76 116.55 109.09 2ahs n ASP 1751Ca 0.06 -0.97 -0.41 0.00 0.71 0.00 0.00 54.79 54.18 2ahs n ASP 1751Cb 0.23 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 2ahs n ASP 1751CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2ahs s ASP 1752N -1.92 6.69 0.65 -2.24 1.01 -1.26 -4.89 116.67 114.71 2ahs s ASP 1752Ca 0.39 2.66 0.40 0.00 0.71 0.00 0.00 52.55 56.71 2ahs s ASP 1752Cb 0.18 -2.63 2.20 0.00 1.01 0.00 0.00 42.92 43.68 2ahs s ASP 1752CO 0.30 -0.65 2.29 1.55 0.21 0.00 0.00 175.17 178.87 2ahs h PRO 1753N 4.59 0.00 -0.55 8.23 0.13 -2.04 -1.97 132.00 140.39 2ahs h PRO 1753Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2ahs h PRO 1753Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2ahs h PRO 1753CO 0.74 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.51 2ahs h SER 1755N 4.34 0.00 -0.01 0.00 0.02 -1.65 -2.83 113.55 113.41 2ahs h SER 1755Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ahs h SER 1755Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2ahs h SER 1755CO 0.00 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 174.79 2ahs n ASP 1756N -2.90 0.52 -4.72 3.07 5.68 -1.26 -4.82 116.55 112.10 2ahs n ASP 1756Ca 0.02 -1.21 -0.40 0.00 -0.50 0.00 0.00 54.79 52.70 2ahs n ASP 1756Cb 0.34 -0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.26 2ahs n ASP 1756CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2ahs s TYR 1757N -1.99 3.60 0.01 2.11 5.04 -1.07 -0.56 117.35 124.49 2ahs s TYR 1757Ca 0.43 1.25 0.00 0.00 -2.44 0.00 0.00 57.07 56.32 2ahs s TYR 1757Cb 0.21 -2.78 -0.01 0.00 0.35 0.00 0.00 41.96 39.73 2ahs s TYR 1757CO 0.34 0.13 -0.02 -1.50 -1.34 0.00 0.00 175.55 173.17 2ahs s ILE 1758N 0.63 0.08 -1.10 3.14 2.07 -1.26 -4.90 121.20 119.86 2ahs s ILE 1758Ca 0.37 -0.45 -0.22 0.00 -1.41 0.00 0.00 60.65 58.94 2ahs s ILE 1758Cb -0.18 -0.15 0.05 0.00 0.13 0.00 0.00 42.46 42.30 2ahs s ILE 1758CO 0.18 -0.23 1.59 0.21 -1.91 0.00 0.00 174.94 174.77 2ahs s ASN 1759N -0.71 6.47 -0.14 4.50 3.84 -1.26 -4.65 114.94 122.98 2ahs s ASN 1759Ca -0.07 -1.71 -0.26 0.00 0.21 0.00 0.00 52.86 51.02 2ahs s ASN 1759Cb -0.05 -2.57 0.06 0.00 -0.55 0.00 0.00 41.25 38.14 2ahs s ASN 1759CO -0.00 -1.54 0.65 0.00 -2.79 0.00 0.00 177.10 173.42 2ahs s ALA 1760N 5.28 -1.66 0.01 1.71 0.00 -1.26 -3.05 121.76 122.79 2ahs s ALA 1760Ca 0.51 1.51 0.02 0.00 0.00 0.00 0.00 51.96 54.00 2ahs s ALA 1760Cb 0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 2ahs s ALA 1760CO -0.03 -0.34 -0.07 -1.12 0.00 0.00 0.00 175.76 174.20 2ahs s SER 1761N -0.51 0.82 0.21 0.00 0.01 0.05 -1.06 113.70 113.22 2ahs s SER 1761Ca -0.06 -0.22 -0.30 0.00 1.31 0.00 0.00 55.95 56.68 2ahs s SER 1761Cb -0.02 -0.06 -0.08 0.00 0.21 0.00 0.00 66.02 66.06 2ahs s SER 1761CO 0.06 0.02 1.01 -0.31 0.41 0.00 0.00 173.24 174.43 2ahs s TYR 1762N -0.42 3.79 -0.05 2.43 2.02 -0.21 -0.77 117.35 124.13 2ahs s TYR 1762Ca 0.00 1.79 0.01 0.00 -0.37 0.00 0.00 57.07 58.49 2ahs s TYR 1762Cb -0.04 -3.12 0.02 0.00 -0.40 0.00 0.00 41.96 38.42 2ahs s TYR 1762CO -0.00 -0.02 -0.04 0.42 -1.57 0.00 0.00 175.55 174.33 2ahs s ILE 1763N -0.79 0.56 0.56 2.71 -1.09 -0.40 -4.83 121.20 117.92 2ahs s ILE 1763Ca 0.44 -0.12 -0.17 0.00 -2.23 0.00 0.00 60.65 58.58 2ahs s ILE 1763Cb -0.28 -0.59 -0.05 0.00 -1.58 0.00 0.00 42.46 39.96 2ahs s ILE 1763CO 0.34 0.24 1.04 -2.16 -1.23 0.00 0.00 174.94 173.17 2ahs s PRO 1764N 1.02 3.53 0.00 2.79 0.04 -1.06 -1.57 135.00 139.75 2ahs s PRO 1764Ca -0.09 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.12 2ahs s PRO 1764Cb -0.14 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2ahs s PRO 1764CO -0.00 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.81 2ahs n GLY 1765N -1.02 6.67 0.25 0.56 0.00 -0.08 -4.84 105.19 106.74 2ahs n GLY 1765Ca 0.08 -1.89 0.11 0.00 0.00 0.00 0.00 46.02 44.32 2ahs n GLY 1765CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2ahs h ASN 1766N 0.00 0.00 0.00 1.61 4.21 -1.96 -3.35 115.58 116.09 2ahs h ASN 1766Ca 0.00 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.42 2ahs h ASN 1766Cb 0.00 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 2ahs h ASN 1766CO 0.00 0.15 -1.33 0.59 -1.29 0.00 0.00 177.43 175.55 2ahs n ASN 1767N -3.70 3.62 -4.03 5.81 3.02 -1.26 -5.06 115.26 113.67 2ahs n ASN 1767Ca -0.02 -0.02 -0.14 0.00 -0.03 0.00 0.00 54.58 54.37 2ahs n ASN 1767Cb 0.27 0.10 -0.13 0.00 -0.61 0.00 0.00 39.78 39.41 2ahs n ASN 1767CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2ahs s PHE 1768N -2.12 0.61 0.36 3.10 0.08 -1.26 -5.04 117.98 113.71 2ahs s PHE 1768Ca -0.06 -0.34 0.13 0.00 0.12 0.00 0.00 56.93 56.77 2ahs s PHE 1768Cb 0.02 -0.37 0.68 0.00 -0.57 0.00 0.00 43.02 42.78 2ahs s PHE 1768CO 0.15 -0.05 1.80 0.00 -0.10 0.00 0.00 175.22 177.02 2ahs h ARG 1769N 5.07 0.00 -1.69 0.44 2.47 -1.91 -0.17 114.38 118.60 2ahs h ARG 1769Ca -0.33 0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 57.77 2ahs h ARG 1769Cb 1.20 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 29.13 2ahs h ARG 1769CO 0.44 0.40 -0.39 0.54 0.56 0.00 0.00 179.97 181.52 2ahs n ARG 1770N -4.05 3.35 0.10 0.04 1.74 -1.26 -2.57 116.66 114.01 2ahs n ARG 1770Ca -0.02 -4.39 -0.05 0.00 -0.77 0.00 0.00 57.85 52.62 2ahs n ARG 1770Cb 0.43 -2.26 0.06 0.00 -1.02 0.00 0.00 32.46 29.67 2ahs n ARG 1770CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2ahs h GLU 1771N 2.72 0.12 -5.29 5.56 4.81 -1.50 -3.37 114.58 117.63 2ahs h GLU 1771Ca 0.33 -0.11 -0.39 0.00 -0.13 0.00 0.00 59.36 59.06 2ahs h GLU 1771Cb 0.72 0.03 -0.18 0.00 0.63 0.00 0.00 28.75 29.95 2ahs h GLU 1771CO 0.95 0.82 -0.75 0.71 -0.73 0.00 0.00 179.01 180.01 2ahs s TYR 1772N -3.38 1.30 -0.16 0.92 2.02 -0.61 -1.29 117.35 116.16 2ahs s TYR 1772Ca -0.02 -0.58 0.01 0.00 -0.37 0.00 0.00 57.07 56.11 2ahs s TYR 1772Cb 0.11 -0.69 0.01 0.00 -0.40 0.00 0.00 41.96 40.99 2ahs s TYR 1772CO 0.80 0.10 -0.18 0.42 -1.57 0.00 0.00 175.55 175.13 2ahs s ILE 1773N -2.18 2.40 -0.12 2.71 1.01 -0.27 -1.27 121.20 123.48 2ahs s ILE 1773Ca 0.07 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 2ahs s ILE 1773Cb -0.05 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 2ahs s ILE 1773CO 0.02 0.53 0.06 -0.69 0.00 0.00 0.00 174.94 174.85 2ahs s VAL 1774N 0.94 4.78 0.12 2.92 1.01 0.05 -0.57 120.40 129.64 2ahs s VAL 1774Ca -0.03 -0.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 2ahs s VAL 1774Cb -0.15 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 2ahs s VAL 1774CO -0.03 0.58 0.19 0.28 0.00 0.00 0.00 175.10 176.12 2ahs s THR 1775N -0.67 0.12 0.85 3.92 -1.32 -0.98 -0.77 115.64 116.79 2ahs s THR 1775Ca 0.12 -1.40 -0.11 0.00 -1.21 0.00 0.00 61.69 59.08 2ahs s THR 1775Cb -0.12 -1.62 0.10 0.00 -1.51 0.00 0.00 72.50 69.35 2ahs s THR 1775CO 0.02 -0.54 1.09 0.00 -2.21 0.00 0.00 174.62 172.99 2ahs s GLN 1776N -3.93 1.61 0.10 7.08 -2.07 -1.17 -3.46 119.66 117.83 2ahs s GLN 1776Ca 0.12 1.04 -0.31 0.00 -1.82 0.00 0.00 55.36 54.39 2ahs s GLN 1776Cb 0.05 -1.83 -0.10 0.00 -1.09 0.00 0.00 33.01 30.04 2ahs s GLN 1776CO -0.05 -2.05 1.86 0.20 -1.32 0.00 0.00 175.29 173.92 2ahs s GLY 1777N -3.32 1.37 0.45 2.60 0.00 0.31 -4.85 107.32 103.86 2ahs s GLY 1777Ca 0.63 1.42 -0.24 0.00 0.00 0.00 0.00 44.72 46.52 2ahs s GLY 1777CO 0.57 3.21 1.21 -1.05 0.00 0.00 0.00 173.10 177.04 2ahs n PRO 1778N 6.09 1.72 -2.76 2.90 -0.02 -1.26 -4.71 135.00 136.95 2ahs n PRO 1778Ca 0.18 0.62 -0.27 0.00 -2.02 0.00 0.00 63.50 62.01 2ahs n PRO 1778Cb 0.39 -2.32 -0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2ahs n PRO 1778CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ahs s LEU 1779N -1.65 3.69 0.39 2.45 1.43 -1.26 -1.94 118.68 121.79 2ahs s LEU 1779Ca 0.63 0.84 0.19 0.00 -1.03 0.00 0.00 54.13 54.76 2ahs s LEU 1779Cb -0.50 -3.78 1.12 0.00 0.03 0.00 0.00 46.19 43.06 2ahs s LEU 1779CO 0.56 -0.53 1.73 -0.65 0.23 0.00 0.00 176.35 177.68 2ahs h PRO 1780N 0.31 0.35 -0.00 1.29 0.11 -1.96 -0.15 132.00 131.95 2ahs h PRO 1780Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2ahs h PRO 1780Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2ahs h PRO 1780CO 0.62 0.23 -0.25 0.41 -0.21 0.00 0.00 178.00 178.80 2ahs n GLY 1781N -1.43 -1.01 0.09 -0.55 0.00 -1.26 -4.10 105.19 96.92 2ahs n GLY 1781Ca 0.28 -0.31 0.01 0.00 0.00 0.00 0.00 46.02 46.01 2ahs n GLY 1781CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ahs n THR 1782N -1.10 0.46 -0.23 2.61 -2.24 -0.09 -4.74 114.28 108.94 2ahs n THR 1782Ca 0.10 -0.73 -0.06 0.00 -2.27 0.00 0.00 64.05 61.09 2ahs n THR 1782Cb 0.32 0.79 0.09 0.00 -2.10 0.00 0.00 70.33 69.43 2ahs n THR 1782CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2ahs h LYS 1783N 0.34 1.07 -0.68 -0.78 1.57 -1.64 0.04 116.57 116.49 2ahs h LYS 1783Ca 0.00 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 2ahs h LYS 1783Cb 0.29 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2ahs h LYS 1783CO 0.00 0.94 0.23 -0.44 -0.57 0.00 0.00 179.45 179.61 2ahs h ASP 1784N 1.02 0.95 -0.43 0.86 3.32 -1.87 -1.80 116.42 118.46 2ahs h ASP 1784Ca 0.22 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2ahs h ASP 1784Cb 0.35 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2ahs h ASP 1784CO -0.00 0.88 0.23 0.44 -1.72 0.00 0.00 179.24 179.07 2ahs h ASP 1785N 1.00 0.55 0.01 6.45 3.32 -1.59 -0.50 116.42 125.65 2ahs h ASP 1785Ca 0.22 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.18 2ahs h ASP 1785Cb 0.25 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2ahs h ASP 1785CO -0.01 0.49 -0.06 0.15 -1.72 0.00 0.00 179.24 178.09 2ahs h PHE 1786N 0.56 -0.15 -0.52 4.55 3.57 -0.76 -0.81 116.94 123.39 2ahs h PHE 1786Ca 0.15 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 2ahs h PHE 1786Cb 0.07 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2ahs h PHE 1786CO -0.02 -0.09 0.06 -1.49 -2.23 0.00 0.00 178.31 174.54 2ahs h TRP 1787N -0.11 0.88 -0.38 0.41 4.06 -1.27 -0.25 115.95 119.29 2ahs h TRP 1787Ca 0.02 -0.11 0.04 0.00 2.06 0.00 0.00 58.89 60.91 2ahs h TRP 1787Cb 0.14 -0.25 -0.04 0.00 -1.00 0.00 0.00 29.16 28.01 2ahs h TRP 1787CO -0.13 0.77 0.15 -0.22 -3.56 0.00 0.00 178.44 175.46 2ahs h LYS 1788N 0.79 0.31 -0.41 0.49 3.64 -0.83 -0.24 116.57 120.33 2ahs h LYS 1788Ca 0.16 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2ahs h LYS 1788Cb 0.39 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2ahs h LYS 1788CO 0.01 0.21 0.20 1.98 -2.27 0.00 0.00 179.45 179.58 2ahs h MET 1789N 0.32 0.59 -0.54 1.90 4.05 -0.81 0.35 114.93 120.79 2ahs h MET 1789Ca 0.17 -0.09 0.07 0.00 -0.28 0.00 0.00 59.70 59.57 2ahs h MET 1789Cb 0.12 -0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 30.76 2ahs h MET 1789CO -0.15 0.51 0.22 0.28 0.23 0.00 0.00 176.91 178.00 2ahs h VAL 1790N 0.53 0.85 0.31 -5.77 2.07 -0.77 0.20 116.25 113.67 2ahs h VAL 1790Ca 0.14 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2ahs h VAL 1790Cb 0.11 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2ahs h VAL 1790CO -0.02 0.08 -0.15 -0.25 0.02 0.00 0.00 177.57 177.25 2ahs h TRP 1791N 0.42 -0.39 -0.18 1.57 2.91 -0.75 -2.05 115.95 117.49 2ahs h TRP 1791Ca 0.26 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.19 2ahs h TRP 1791Cb 0.26 0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.02 2ahs h TRP 1791CO -0.14 -0.14 -0.26 0.93 -1.03 0.00 0.00 178.44 177.80 2ahs h GLU 1792N -0.57 0.33 -0.17 2.65 5.08 -0.78 -2.65 114.58 118.48 2ahs h GLU 1792Ca -0.04 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2ahs h GLU 1792Cb 0.42 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2ahs h GLU 1792CO 0.07 0.57 0.00 1.04 -1.00 0.00 0.00 179.01 179.69 2ahs n GLN 1793N -4.14 1.64 -3.04 2.33 1.13 0.04 -4.92 117.38 110.42 2ahs n GLN 1793Ca -0.01 -0.97 -0.22 0.00 -1.94 0.00 0.00 57.00 53.86 2ahs n GLN 1793Cb 0.38 -1.35 0.04 0.00 0.11 0.00 0.00 30.24 29.42 2ahs n GLN 1793CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2ahs n ASN 1794N 0.21 -6.02 -4.71 1.08 5.15 -1.00 -3.94 115.26 106.03 2ahs n ASN 1794Ca 0.15 -0.30 -0.42 0.00 -0.60 0.00 0.00 54.58 53.41 2ahs n ASN 1794Cb 0.29 -4.82 -0.03 0.00 -0.53 0.00 0.00 39.78 34.69 2ahs n ASN 1794CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2ahs s VAL 1795N -3.18 3.97 -0.13 3.44 1.01 -0.78 -0.81 120.40 123.93 2ahs s VAL 1795Ca 0.32 1.40 0.08 0.00 0.00 0.00 0.00 61.98 63.77 2ahs s VAL 1795Cb -0.14 -3.90 -0.11 0.00 0.00 0.00 0.00 36.38 32.24 2ahs s VAL 1795CO 0.39 0.09 0.22 1.41 0.00 0.00 0.00 175.10 177.21 2ahs n HIS 1796N 4.19 0.00 -4.28 5.22 8.25 -1.26 -4.85 115.22 122.48 2ahs n HIS 1796Ca 0.10 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.33 2ahs n HIS 1796Cb 0.46 -0.12 -0.17 0.00 1.12 0.00 0.00 29.99 31.29 2ahs n HIS 1796CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2ahs s ASN 1797N -2.48 1.36 -0.09 0.41 0.01 -1.26 -0.70 114.94 112.19 2ahs s ASN 1797Ca -0.01 -0.20 0.04 0.00 -0.71 0.00 0.00 52.86 51.98 2ahs s ASN 1797Cb 0.05 -0.61 0.00 0.00 0.41 0.00 0.00 41.25 41.10 2ahs s ASN 1797CO 0.31 -0.03 -0.21 -0.63 -1.51 0.00 0.00 177.10 175.03 2ahs s ILE 1798N 0.92 1.81 -0.17 0.60 1.01 0.10 -1.85 121.20 123.62 2ahs s ILE 1798Ca -0.11 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.64 2ahs s ILE 1798Cb -0.15 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 2ahs s ILE 1798CO 0.01 0.51 -0.07 -0.69 0.00 0.00 0.00 174.94 174.69 2ahs s VAL 1799N 0.39 3.38 -0.19 2.92 1.01 0.14 -0.56 120.40 127.48 2ahs s VAL 1799Ca -0.17 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.30 2ahs s VAL 1799Cb -0.17 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.75 2ahs s VAL 1799CO 0.07 0.47 -0.18 -0.32 0.00 0.00 0.00 175.10 175.15 2ahs s MET 1800N 0.83 2.78 -0.34 2.72 0.00 -0.05 -0.94 119.30 124.30 2ahs s MET 1800Ca -0.02 -0.92 0.06 0.00 0.00 0.00 0.00 55.69 54.81 2ahs s MET 1800Cb -0.15 -2.61 0.46 0.00 0.00 0.00 0.00 34.83 32.53 2ahs s MET 1800CO 0.01 -0.29 1.32 0.28 0.00 0.00 0.00 175.02 176.35 2ahs n VAL 1801N 4.59 2.68 -3.91 10.11 0.31 -0.05 -0.41 118.33 131.66 2ahs n VAL 1801Ca -0.19 -3.97 -0.09 0.00 -0.01 0.00 0.00 64.34 60.07 2ahs n VAL 1801Cb 0.48 -1.10 -0.09 0.00 -0.91 0.00 0.00 33.84 32.22 2ahs n VAL 1801CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2ahs s THR 1802N -4.57 0.13 0.52 2.52 -1.32 -1.25 -4.79 115.64 106.88 2ahs s THR 1802Ca 0.53 -1.08 -0.10 0.00 -1.21 0.00 0.00 61.69 59.82 2ahs s THR 1802Cb 0.42 -0.95 -0.05 0.00 -1.51 0.00 0.00 72.50 70.41 2ahs s THR 1802CO 0.03 -0.60 0.90 -1.10 -2.21 0.00 0.00 174.62 171.64 2ahs s GLN 1803N -2.74 3.69 0.23 7.08 -0.21 -1.26 -4.79 119.66 121.66 2ahs s GLN 1803Ca -0.04 0.58 -0.07 0.00 0.02 0.00 0.00 55.36 55.85 2ahs s GLN 1803Cb -0.00 -2.23 0.22 0.00 1.00 0.00 0.00 33.01 31.99 2ahs s GLN 1803CO -0.05 -0.31 1.90 0.00 -2.12 0.00 0.00 175.29 174.71 2ahs s VAL 1805N -6.04 1.38 -0.14 0.00 1.01 -1.26 0.46 120.40 115.81 2ahs s VAL 1805Ca -0.13 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 2ahs s VAL 1805Cb 0.17 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 35.32 2ahs s VAL 1805CO 0.81 0.42 -0.09 -1.61 0.00 0.00 0.00 175.10 174.63 2ahs s GLU 1806N 0.86 1.70 -1.46 2.72 2.02 0.41 -4.78 118.70 120.17 2ahs s GLU 1806Ca -0.10 -0.42 -0.10 0.00 0.02 0.00 0.00 54.97 54.37 2ahs s GLU 1806Cb -0.15 -1.86 0.05 0.00 0.10 0.00 0.00 34.13 32.27 2ahs s GLU 1806CO 0.01 -0.31 0.83 0.36 0.02 0.00 0.00 175.26 176.16 2ahs n LYS 1807N 4.87 -5.43 -0.54 1.61 2.85 -1.26 -1.46 118.16 118.81 2ahs n LYS 1807Ca -0.13 0.70 0.00 0.00 -1.05 0.00 0.00 58.31 57.83 2ahs n LYS 1807Cb 0.49 -5.59 0.00 0.00 -0.65 0.00 0.00 35.03 29.28 2ahs n LYS 1807CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ahs n GLY 1808N -1.61 1.55 3.70 2.58 0.00 -1.26 -5.02 105.19 105.13 2ahs n GLY 1808Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2ahs n GLY 1808CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ahs s ARG 1809N -0.09 4.33 -0.08 1.61 3.00 -0.54 -5.04 118.95 122.13 2ahs s ARG 1809Ca 0.00 0.59 -0.30 0.00 0.00 0.00 0.00 55.73 56.03 2ahs s ARG 1809Cb 0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 34.95 31.44 2ahs s ARG 1809CO 0.00 0.03 1.29 0.08 0.00 0.00 0.00 175.30 176.70 2ahs s VAL 1810N 1.01 4.12 -0.03 3.52 1.01 -1.26 -0.44 120.40 128.32 2ahs s VAL 1810Ca 0.29 1.42 0.09 0.00 0.00 0.00 0.00 61.98 63.78 2ahs s VAL 1810Cb -0.16 -3.91 -0.14 0.00 0.00 0.00 0.00 36.38 32.17 2ahs s VAL 1810CO 0.12 -0.05 0.17 0.29 0.00 0.00 0.00 175.10 175.63 2ahs n LYS 1811N 5.83 0.74 -3.64 2.72 4.76 0.17 -4.96 118.16 123.79 2ahs n LYS 1811Ca 0.13 -0.07 -0.08 0.00 -2.87 0.00 0.00 58.31 55.42 2ahs n LYS 1811Cb 0.45 -1.22 -0.07 0.00 -1.84 0.00 0.00 35.03 32.35 2ahs n LYS 1811CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ahs s ASP 1813N 0.92 6.10 -0.48 0.00 2.15 -0.82 -4.53 116.67 120.02 2ahs s ASP 1813Ca -0.04 2.58 -0.29 0.00 0.43 0.00 0.00 52.55 55.24 2ahs s ASP 1813Cb -0.05 -2.63 0.02 0.00 -0.30 0.00 0.00 42.92 39.96 2ahs s ASP 1813CO -0.10 -0.99 1.36 -2.28 -0.17 0.00 0.00 175.17 172.99 2ahs s HIS 1814N -1.34 2.44 -0.57 -5.34 5.65 -1.26 -4.74 115.29 110.14 2ahs s HIS 1814Ca 0.61 0.61 0.09 0.00 0.25 0.00 0.00 55.06 56.62 2ahs s HIS 1814Cb -0.36 -4.37 0.24 0.00 -1.18 0.00 0.00 32.58 26.91 2ahs s HIS 1814CO 0.45 -1.84 1.19 2.48 -0.65 0.00 0.00 174.74 176.37 2ahs n TYR 1815N 8.87 0.36 -4.38 3.88 0.18 -1.26 -4.98 117.16 119.84 2ahs n TYR 1815Ca 0.14 -0.55 -0.19 0.00 1.88 0.00 0.00 57.90 59.18 2ahs n TYR 1815Cb 0.49 -0.06 -0.10 0.00 -0.38 0.00 0.00 39.34 39.28 2ahs n TYR 1815CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2ahs s TRP 1816N -1.24 1.74 0.12 -3.48 -2.14 -1.26 -5.06 118.94 107.62 2ahs s TRP 1816Ca 0.19 -0.83 -0.31 0.00 2.66 0.00 0.00 56.10 57.81 2ahs s TRP 1816Cb 0.11 -1.01 -0.08 0.00 -3.10 0.00 0.00 33.47 29.40 2ahs s TRP 1816CO 0.10 0.10 1.32 -2.14 -2.66 0.00 0.00 176.95 173.67 2ahs s PRO 1817N -3.81 4.37 -0.02 3.25 0.02 -1.26 -4.95 135.00 132.61 2ahs s PRO 1817Ca 0.29 1.99 0.13 0.00 0.02 0.00 0.00 61.00 63.42 2ahs s PRO 1817Cb 0.05 -3.26 -0.22 0.00 0.02 0.00 0.00 34.50 31.09 2ahs s PRO 1817CO 0.10 -0.34 0.73 0.00 -0.33 0.00 0.00 177.00 177.16 2ahs h ALA 1818N 6.43 0.74 -3.00 -1.55 0.00 -1.99 -3.43 119.26 116.46 2ahs h ALA 1818Ca -0.43 -1.36 0.00 0.00 0.00 0.00 0.00 54.91 53.12 2ahs h ALA 1818Cb 1.21 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2ahs h ALA 1818CO 0.83 1.49 0.00 -0.40 0.00 0.00 0.00 179.25 181.17 2ahs n ASP 1819N -3.05 0.00 0.02 0.00 5.68 -1.26 -5.04 116.55 112.90 2ahs n ASP 1819Ca -0.15 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.26 2ahs n ASP 1819Cb 1.02 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 41.13 2ahs n ASP 1819CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ahs n GLN 1820N 0.00 0.17 -2.25 0.11 6.02 -1.26 -4.65 117.38 115.52 2ahs n GLN 1820Ca 0.00 0.02 -0.39 0.00 -0.01 0.00 0.00 57.00 56.62 2ahs n GLN 1820Cb 0.00 -1.58 -0.02 0.00 1.02 0.00 0.00 30.24 29.66 2ahs n GLN 1820CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ahs s ASP 1821N -3.62 6.56 0.23 1.08 1.01 -1.26 -4.84 116.67 115.84 2ahs s ASP 1821Ca 0.07 2.42 -0.30 0.00 0.71 0.00 0.00 52.55 55.46 2ahs s ASP 1821Cb 0.15 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.37 2ahs s ASP 1821CO 0.75 -0.65 0.99 -0.44 0.21 0.00 0.00 175.17 176.02 2ahs s SER 1822N -0.99 7.53 0.05 0.27 0.01 -1.26 -4.64 113.70 114.67 2ahs s SER 1822Ca 0.55 2.02 0.09 0.00 1.31 0.00 0.00 55.95 59.92 2ahs s SER 1822Cb -0.33 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.26 2ahs s SER 1822CO 0.42 0.05 -0.25 -0.76 0.41 0.00 0.00 173.24 173.11 2ahs s LEU 1823N -1.09 2.17 -0.04 2.44 1.43 0.69 -4.94 118.68 119.34 2ahs s LEU 1823Ca 0.43 -0.57 -0.25 0.00 -1.03 0.00 0.00 54.13 52.70 2ahs s LEU 1823Cb -0.27 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 2ahs s LEU 1823CO 0.34 0.23 0.77 -0.31 0.23 0.00 0.00 176.35 177.61 2ahs s TYR 1824N -0.80 3.61 -0.46 0.29 2.02 -1.26 -0.37 117.35 120.38 2ahs s TYR 1824Ca 0.11 1.37 0.03 0.00 -0.37 0.00 0.00 57.07 58.21 2ahs s TYR 1824Cb -0.10 -2.87 0.13 0.00 -0.40 0.00 0.00 41.96 38.72 2ahs s TYR 1824CO 0.02 0.09 0.22 0.71 -1.57 0.00 0.00 175.55 175.02 2ahs s TYR 1825N 0.73 2.73 0.00 2.71 2.02 -0.03 -4.99 117.35 120.52 2ahs s TYR 1825Ca 0.41 -2.81 0.00 0.00 -0.37 0.00 0.00 57.07 54.30 2ahs s TYR 1825Cb -0.19 -2.43 0.00 0.00 -0.40 0.00 0.00 41.96 38.94 2ahs s TYR 1825CO 0.21 -0.79 0.00 0.41 -1.57 0.00 0.00 175.55 173.81 2ahs n GLY 1826N 3.49 2.34 1.23 0.71 0.00 -1.26 -2.56 105.19 109.14 2ahs n GLY 1826Ca 0.06 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.82 2ahs n GLY 1826CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ahs n ASP 1827N 6.48 3.58 -4.79 1.61 5.75 -1.26 -4.91 116.55 123.00 2ahs n ASP 1827Ca 0.00 -2.28 -0.33 0.00 -0.01 0.00 0.00 54.79 52.17 2ahs n ASP 1827Cb 0.00 -0.48 -0.07 0.00 -1.03 0.00 0.00 41.12 39.54 2ahs n ASP 1827CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2ahs s LEU 1828N -1.42 3.94 -0.17 -2.12 1.43 -1.06 -0.86 118.68 118.42 2ahs s LEU 1828Ca 0.38 0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.63 2ahs s LEU 1828Cb 0.24 -2.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2ahs s LEU 1828CO 0.20 0.28 -0.08 -0.63 0.23 0.00 0.00 176.35 176.34 2ahs s ILE 1829N -1.20 3.36 -0.07 -0.59 1.01 0.40 -0.85 121.20 123.27 2ahs s ILE 1829Ca 0.23 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.40 2ahs s ILE 1829Cb -0.12 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 2ahs s ILE 1829CO 0.14 0.48 -0.24 -0.22 0.00 0.00 0.00 174.94 175.10 2ahs s LEU 1830N 0.73 2.06 0.01 2.97 2.96 0.50 -2.17 118.68 125.74 2ahs s LEU 1830Ca -0.04 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.37 2ahs s LEU 1830Cb -0.15 -1.35 -0.01 0.00 0.50 0.00 0.00 46.19 45.18 2ahs s LEU 1830CO 0.02 0.21 -0.04 -1.58 -1.32 0.00 0.00 176.35 173.63 2ahs s GLN 1831N 0.01 0.35 -0.35 1.98 -0.44 -0.65 -0.22 119.66 120.34 2ahs s GLN 1831Ca -0.08 -0.30 -0.20 0.00 -2.50 0.00 0.00 55.36 52.27 2ahs s GLN 1831Cb -0.15 -0.25 0.00 0.00 -1.64 0.00 0.00 33.01 30.97 2ahs s GLN 1831CO 0.05 0.06 0.62 1.41 0.50 0.00 0.00 175.29 177.93 2ahs s MET 1832N -0.51 3.69 0.08 1.67 -2.45 -1.26 -0.62 119.30 119.89 2ahs s MET 1832Ca -0.02 0.05 -0.06 0.00 -1.25 0.00 0.00 55.69 54.40 2ahs s MET 1832Cb -0.04 -3.80 -0.26 0.00 1.25 0.00 0.00 34.83 31.98 2ahs s MET 1832CO -0.00 -0.71 1.15 -0.07 1.05 0.00 0.00 175.02 176.45 2ahs h LEU 1833N 9.32 0.52 -7.52 4.11 3.38 -0.68 -3.48 115.31 120.96 2ahs h LEU 1833Ca -0.27 -0.52 -0.14 0.00 0.09 0.00 0.00 57.88 57.04 2ahs h LEU 1833Cb 1.11 -0.17 -0.23 0.00 0.09 0.00 0.00 40.66 41.47 2ahs h LEU 1833CO 0.82 1.39 -0.36 -0.44 0.09 0.00 0.00 178.44 179.94 2ahs s SER 1834N -7.21 -0.21 -0.06 -0.43 0.01 -1.11 -4.98 113.70 99.72 2ahs s SER 1834Ca -0.05 0.27 -0.02 0.00 1.31 0.00 0.00 55.95 57.46 2ahs s SER 1834Cb 0.07 0.43 0.04 0.00 0.21 0.00 0.00 66.02 66.76 2ahs s SER 1834CO 0.89 -0.27 0.11 -0.70 0.41 0.00 0.00 173.24 173.69 2ahs s GLU 1835N -0.62 0.01 -0.27 12.44 2.12 -1.26 -1.66 118.70 129.46 2ahs s GLU 1835Ca -0.07 0.40 0.03 0.00 0.36 0.00 0.00 54.97 55.69 2ahs s GLU 1835Cb -0.04 -0.29 0.07 0.00 0.26 0.00 0.00 34.13 34.13 2ahs s GLU 1835CO 0.02 -0.24 -0.06 -1.12 -0.54 0.00 0.00 175.26 173.31 2ahs s SER 1836N 1.71 4.43 -0.44 -1.70 0.01 0.50 -5.01 113.70 113.20 2ahs s SER 1836Ca -0.02 -1.54 -0.21 0.00 1.31 0.00 0.00 55.95 55.49 2ahs s SER 1836Cb -0.12 -1.51 0.03 0.00 0.21 0.00 0.00 66.02 64.63 2ahs s SER 1836CO -0.05 -0.24 0.64 -0.69 0.41 0.00 0.00 173.24 173.31 2ahs s VAL 1837N 1.11 4.83 0.36 3.43 1.01 -1.26 -1.38 120.40 128.49 2ahs s VAL 1837Ca -0.04 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.10 2ahs s VAL 1837Cb -0.20 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 2ahs s VAL 1837CO -0.06 -0.61 0.24 -0.76 0.00 0.00 0.00 175.10 173.91 2ahs s LEU 1838N 2.82 3.39 0.24 3.92 1.43 0.66 -4.99 118.68 126.14 2ahs s LEU 1838Ca 0.22 -0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 52.57 2ahs s LEU 1838Cb -0.14 -1.93 0.43 0.00 0.03 0.00 0.00 46.19 44.57 2ahs s LEU 1838CO 0.19 -0.41 1.74 -0.65 0.23 0.00 0.00 176.35 177.45 2ahs h PRO 1839N 1.34 0.45 0.00 1.29 0.11 -2.02 -3.20 132.00 129.96 2ahs h PRO 1839Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2ahs h PRO 1839Cb 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2ahs h PRO 1839CO 0.61 0.29 -0.99 0.39 -0.21 0.00 0.00 178.00 178.09 2ahs n GLU 1840N -4.99 1.77 -3.63 1.05 1.02 -1.26 -4.88 120.64 109.73 2ahs n GLU 1840Ca 0.13 -0.04 -0.10 0.00 -0.02 0.00 0.00 57.16 57.13 2ahs n GLU 1840Cb 0.38 -1.21 -0.03 0.00 -0.02 0.00 0.00 31.44 30.56 2ahs n GLU 1840CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 2ahs s TRP 1841N -2.53 -0.27 -0.06 -0.32 -2.14 -1.21 -1.85 118.94 110.55 2ahs s TRP 1841Ca 0.02 -0.03 0.04 0.00 2.66 0.00 0.00 56.10 58.78 2ahs s TRP 1841Cb 0.10 0.45 -0.00 0.00 -3.10 0.00 0.00 33.47 30.92 2ahs s TRP 1841CO 0.57 -0.88 -0.19 0.99 -2.66 0.00 0.00 176.95 174.78 2ahs s THR 1842N -3.83 1.58 -0.18 0.66 2.01 -0.10 -0.24 115.64 115.54 2ahs s THR 1842Ca 0.06 -0.77 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 2ahs s THR 1842Cb -0.01 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 2ahs s THR 1842CO -0.07 0.45 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.63 2ahs s ILE 1843N 0.20 3.53 0.18 1.82 1.01 -0.48 -0.77 121.20 126.70 2ahs s ILE 1843Ca -0.09 -0.47 0.11 0.00 0.00 0.00 0.00 60.65 60.20 2ahs s ILE 1843Cb -0.14 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 2ahs s ILE 1843CO 0.04 0.47 -0.23 -0.13 0.00 0.00 0.00 174.94 175.09 2ahs s ARG 1844N 0.81 1.56 -0.12 2.79 0.52 -0.08 -0.37 118.95 124.05 2ahs s ARG 1844Ca -0.02 -1.46 0.03 0.00 -0.52 0.00 0.00 55.73 53.76 2ahs s ARG 1844Cb -0.15 -1.89 0.01 0.00 0.52 0.00 0.00 34.95 33.44 2ahs s ARG 1844CO 0.02 0.41 -0.22 -1.21 0.02 0.00 0.00 175.30 174.32 2ahs s GLU 1845N -2.57 2.89 0.13 3.54 2.02 -0.66 -0.65 118.70 123.40 2ahs s GLU 1845Ca 0.20 -0.82 0.08 0.00 0.02 0.00 0.00 54.97 54.46 2ahs s GLU 1845Cb -0.08 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.83 2ahs s GLU 1845CO 0.10 0.06 -0.13 -0.06 0.02 0.00 0.00 175.26 175.25 2ahs s PHE 1846N 0.63 2.63 -0.16 1.61 0.08 0.59 0.09 117.98 123.46 2ahs s PHE 1846Ca -0.12 -0.21 -0.02 0.00 0.12 0.00 0.00 56.93 56.69 2ahs s PHE 1846Cb -0.16 -1.36 -0.02 0.00 -0.57 0.00 0.00 43.02 40.90 2ahs s PHE 1846CO 0.03 0.43 -0.08 0.21 -0.10 0.00 0.00 175.22 175.71 2ahs s LYS 1847N -2.32 3.46 0.06 0.44 2.20 0.21 -0.69 119.74 123.09 2ahs s LYS 1847Ca 0.21 -0.62 0.06 0.00 -0.36 0.00 0.00 55.97 55.26 2ahs s LYS 1847Cb -0.10 -2.80 -0.03 0.00 -1.51 0.00 0.00 37.83 33.39 2ahs s LYS 1847CO 0.13 0.12 -0.18 -1.50 -0.36 0.00 0.00 175.35 173.56 2ahs s ILE 1848N 0.63 1.43 0.18 5.43 2.07 -0.67 -1.64 121.20 128.64 2ahs s ILE 1848Ca -0.05 -1.22 -0.22 0.00 -1.41 0.00 0.00 60.65 57.75 2ahs s ILE 1848Cb -0.15 -1.29 0.06 0.00 0.13 0.00 0.00 42.46 41.21 2ahs s ILE 1848CO 0.03 0.03 0.62 0.00 -1.91 0.00 0.00 174.94 173.71 2ahs s GLY 1850N -2.79 3.04 0.55 0.00 0.00 -1.26 -0.45 107.32 106.41 2ahs s GLY 1850Ca 0.03 0.75 0.27 0.00 0.00 0.00 0.00 44.72 45.77 2ahs s GLY 1850CO -0.09 1.42 1.98 1.05 0.00 0.00 0.00 173.10 177.46 2ahs h GLU 1851N 4.38 0.00 0.00 2.90 4.11 -1.34 -1.12 114.58 123.51 2ahs h GLU 1851Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2ahs h GLU 1851Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2ahs h GLU 1851CO 0.69 0.00 -0.28 0.93 0.07 0.00 0.00 179.01 180.41 2ahs h GLU 1852N 0.00 0.00 -2.12 1.06 4.39 -1.93 -3.40 114.58 112.58 2ahs h GLU 1852Ca 0.24 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.37 2ahs h GLU 1852Cb 1.03 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 29.29 2ahs h GLU 1852CO -0.00 0.00 -1.04 1.04 -1.16 0.00 0.00 179.01 177.85 2ahs n GLN 1853N -2.59 0.73 0.27 2.33 1.13 -0.43 -4.98 117.38 113.84 2ahs n GLN 1853Ca 0.04 -3.33 0.14 0.00 -1.94 0.00 0.00 57.00 51.91 2ahs n GLN 1853Cb 0.49 -1.41 0.76 0.00 0.11 0.00 0.00 30.24 30.19 2ahs n GLN 1853CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2ahs h LEU 1854N 4.42 0.00 0.00 1.08 3.38 -1.79 -2.25 115.31 120.14 2ahs h LEU 1854Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2ahs h LEU 1854Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2ahs h LEU 1854CO 0.47 0.10 -0.04 0.44 0.09 0.00 0.00 178.44 179.50 2ahs h ASP 1855N 0.00 0.00 -2.51 -0.43 3.32 -1.94 -3.37 116.42 111.49 2ahs h ASP 1855Ca -0.00 -0.01 -0.80 0.00 0.02 0.00 0.00 57.03 56.24 2ahs h ASP 1855Cb 0.35 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.65 2ahs h ASP 1855CO 0.01 0.00 1.11 0.00 -1.72 0.00 0.00 179.24 178.65 2ahs n ALA 1856N -1.86 5.26 -2.51 3.45 0.00 -0.85 -5.00 120.51 119.00 2ahs n ALA 1856Ca 0.05 -4.68 -0.22 0.00 0.00 0.00 0.00 53.44 48.59 2ahs n ALA 1856Cb 0.46 -2.51 -0.05 0.00 0.00 0.00 0.00 19.45 17.35 2ahs n ALA 1856CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2ahs s HIS 1857N -2.04 2.83 0.02 0.00 -3.43 -1.26 -4.51 115.29 106.91 2ahs s HIS 1857Ca 0.33 -0.33 0.02 0.00 -0.80 0.00 0.00 55.06 54.28 2ahs s HIS 1857Cb 0.06 -1.74 -0.02 0.00 -1.43 0.00 0.00 32.58 29.46 2ahs s HIS 1857CO 0.08 0.24 -0.07 0.50 -2.00 0.00 0.00 174.74 173.49 2ahs s ARG 1858N -3.94 0.50 -0.14 -0.38 3.52 0.14 -4.97 118.95 113.68 2ahs s ARG 1858Ca 0.40 -0.55 -0.15 0.00 -0.13 0.00 0.00 55.73 55.30 2ahs s ARG 1858Cb -0.05 -0.35 -0.05 0.00 -1.56 0.00 0.00 34.95 32.95 2ahs s ARG 1858CO 0.25 0.08 0.34 -1.17 -0.81 0.00 0.00 175.30 173.98 2ahs s LEU 1859N -1.03 4.27 -0.10 -0.88 2.96 -1.26 -1.67 118.68 120.97 2ahs s LEU 1859Ca -0.05 0.60 0.03 0.00 -0.22 0.00 0.00 54.13 54.49 2ahs s LEU 1859Cb -0.07 -2.45 0.01 0.00 0.50 0.00 0.00 46.19 44.18 2ahs s LEU 1859CO 0.00 0.10 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.30 2ahs s ILE 1860N 0.36 1.77 -0.01 6.68 1.01 0.13 -4.79 121.20 126.35 2ahs s ILE 1860Ca 0.19 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.89 2ahs s ILE 1860Cb -0.14 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 2ahs s ILE 1860CO 0.06 0.50 0.33 -0.13 0.00 0.00 0.00 174.94 175.69 2ahs s ARG 1861N 0.57 3.74 -0.13 2.79 0.52 0.12 -0.30 118.95 126.26 2ahs s ARG 1861Ca -0.15 0.19 0.01 0.00 -0.52 0.00 0.00 55.73 55.26 2ahs s ARG 1861Cb -0.17 -3.16 0.02 0.00 0.52 0.00 0.00 34.95 32.16 2ahs s ARG 1861CO 0.05 0.68 -0.13 -1.58 0.02 0.00 0.00 175.30 174.34 2ahs s HIS 1862N -1.15 1.99 -0.34 -0.53 5.65 0.18 -0.72 115.29 120.37 2ahs s HIS 1862Ca 0.24 -1.05 -0.03 0.00 0.25 0.00 0.00 55.06 54.46 2ahs s HIS 1862Cb -0.15 -1.48 0.06 0.00 -1.18 0.00 0.00 32.58 29.84 2ahs s HIS 1862CO 0.12 -0.59 0.09 -0.06 -0.65 0.00 0.00 174.74 173.65 2ahs s PHE 1863N 1.38 3.36 -0.36 3.88 0.08 0.27 -0.91 117.98 125.68 2ahs s PHE 1863Ca 0.02 -1.92 -0.02 0.00 0.12 0.00 0.00 56.93 55.13 2ahs s PHE 1863Cb -0.13 -2.48 0.08 0.00 -0.57 0.00 0.00 43.02 39.92 2ahs s PHE 1863CO -0.08 -0.84 0.11 -1.58 -0.10 0.00 0.00 175.22 172.74 2ahs s HIS 1864N 1.26 3.47 -0.19 0.36 2.46 0.05 -0.87 115.29 121.84 2ahs s HIS 1864Ca -0.00 -2.22 -0.25 0.00 0.47 0.00 0.00 55.06 53.05 2ahs s HIS 1864Cb -0.21 -2.75 -0.01 0.00 -0.13 0.00 0.00 32.58 29.48 2ahs s HIS 1864CO -0.01 -0.90 0.85 -0.47 -2.47 0.00 0.00 174.74 171.74 2ahs s TYR 1865N 1.17 3.39 -0.76 3.88 5.04 0.45 -0.92 117.35 129.61 2ahs s TYR 1865Ca 0.03 1.25 0.07 0.00 -2.44 0.00 0.00 57.07 55.98 2ahs s TYR 1865Cb -0.21 -3.04 0.13 0.00 0.35 0.00 0.00 41.96 39.18 2ahs s TYR 1865CO -0.03 -0.29 0.94 0.25 -1.34 0.00 0.00 175.55 175.08 2ahs n THR 1866N 4.88 0.49 -0.81 4.34 -2.24 -0.77 -3.75 114.28 116.42 2ahs n THR 1866Ca 0.05 -0.74 0.04 0.00 -2.27 0.00 0.00 64.05 61.13 2ahs n THR 1866Cb 0.48 0.84 0.06 0.00 -2.10 0.00 0.00 70.33 69.61 2ahs n THR 1866CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2ahs n VAL 1867N 0.29 1.15 -1.91 2.28 0.24 -1.25 -4.83 118.33 114.30 2ahs n VAL 1867Ca 0.06 -1.32 -0.42 0.00 -2.04 0.00 0.00 64.34 60.62 2ahs n VAL 1867Cb 0.27 0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 32.85 2ahs n VAL 1867CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 2ahs s TRP 1868N -1.58 2.69 0.91 6.34 -0.11 -1.26 -4.84 118.94 121.09 2ahs s TRP 1868Ca 0.14 0.43 -0.11 0.00 1.22 0.00 0.00 56.10 57.78 2ahs s TRP 1868Cb 0.12 -3.96 0.14 0.00 -1.50 0.00 0.00 33.47 28.26 2ahs s TRP 1868CO 0.01 -3.74 1.09 -1.25 -4.62 0.00 0.00 176.95 168.44 2ahs s PRO 1869N 1.97 1.13 0.13 5.86 0.04 -1.26 -4.95 135.00 137.92 2ahs s PRO 1869Ca 0.73 0.98 -0.13 0.00 0.04 0.00 0.00 61.00 62.62 2ahs s PRO 1869Cb -0.42 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 2ahs s PRO 1869CO 0.32 -2.37 1.52 -0.44 0.04 0.00 0.00 177.00 176.07 2ahs h ASP 1870N -1.65 0.84 -3.36 6.66 3.32 -1.96 -3.41 116.42 116.87 2ahs h ASP 1870Ca -0.49 -0.38 -0.58 0.00 0.02 0.00 0.00 57.03 55.59 2ahs h ASP 1870Cb 1.28 -0.23 -0.34 0.00 0.22 0.00 0.00 39.33 40.26 2ahs h ASP 1870CO 0.52 1.03 -0.84 -1.00 -1.72 0.00 0.00 179.24 177.23 2ahs s HIS 1871N -4.71 1.93 0.00 4.55 0.09 -1.26 -5.08 115.29 110.80 2ahs s HIS 1871Ca -0.12 -0.79 0.00 0.00 -0.00 0.00 0.00 55.06 54.15 2ahs s HIS 1871Cb 0.11 -1.35 0.00 0.00 -0.00 0.00 0.00 32.58 31.33 2ahs s HIS 1871CO 0.83 -0.37 0.00 0.41 -0.00 0.00 0.00 174.74 175.61 2ahs n GLY 1872N 3.81 -1.13 3.89 -2.22 0.00 -1.26 -5.04 105.19 103.24 2ahs n GLY 1872Ca -0.21 -2.11 -0.22 0.00 0.00 0.00 0.00 46.02 43.48 2ahs n GLY 1872CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ahs s VAL 1873N 0.00 2.43 0.71 1.61 -7.23 -1.26 -4.68 120.40 111.97 2ahs s VAL 1873Ca 0.00 -1.35 -0.16 0.00 -1.81 0.00 0.00 61.98 58.66 2ahs s VAL 1873Cb 0.00 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 2ahs s VAL 1873CO 0.00 0.00 0.83 -2.65 -0.31 0.00 0.00 175.10 172.97 2ahs n PRO 1874N -1.64 0.48 0.05 4.82 -0.02 -1.26 -4.53 135.00 132.90 2ahs n PRO 1874Ca 0.03 0.21 -0.03 0.00 -2.02 0.00 0.00 63.50 61.70 2ahs n PRO 1874Cb 0.62 -2.09 0.21 0.00 -0.02 0.00 0.00 33.50 32.23 2ahs n PRO 1874CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2ahs h GLU 1875N -0.21 0.38 -6.38 -0.52 3.07 -1.99 -3.43 114.58 105.50 2ahs h GLU 1875Ca -0.47 -0.16 -0.63 0.00 -0.50 0.00 0.00 59.36 57.61 2ahs h GLU 1875Cb 1.34 -0.01 -0.15 0.00 -0.84 0.00 0.00 28.75 29.08 2ahs h GLU 1875CO 0.46 0.67 -0.77 0.95 -1.40 0.00 0.00 179.01 178.91 2ahs s THR 1876N -4.34 2.54 0.09 1.13 -4.23 -1.26 -5.04 115.64 104.53 2ahs s THR 1876Ca -0.06 -2.18 -0.10 0.00 -1.18 0.00 0.00 61.69 58.16 2ahs s THR 1876Cb 0.14 -2.29 -0.24 0.00 1.34 0.00 0.00 72.50 71.45 2ahs s THR 1876CO 0.78 -0.27 1.20 0.71 -0.54 0.00 0.00 174.62 176.50 2ahs h THR 1877N 2.63 1.33 0.00 3.99 1.35 -1.94 -3.35 112.91 116.92 2ahs h THR 1877Ca -0.43 -2.43 -0.03 0.00 -0.55 0.00 0.00 66.41 62.97 2ahs h THR 1877Cb 1.24 2.52 -0.00 0.00 -1.73 0.00 0.00 68.15 70.17 2ahs h THR 1877CO 0.55 0.74 -0.13 0.06 -0.25 0.00 0.00 175.52 176.48 2ahs h GLN 1878N 0.29 0.00 0.00 4.72 3.07 -1.97 -1.55 115.11 119.67 2ahs h GLN 1878Ca -0.13 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.61 2ahs h GLN 1878Cb 1.74 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.30 2ahs h GLN 1878CO 0.20 0.13 -0.00 1.03 0.09 0.00 0.00 178.83 180.28 2ahs h SER 1879N 0.00 -0.00 0.42 0.06 0.87 -2.00 -0.65 113.55 112.25 2ahs h SER 1879Ca -0.00 -0.06 -0.26 0.00 -1.23 0.00 0.00 61.79 60.24 2ahs h SER 1879Cb 0.34 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2ahs h SER 1879CO 0.02 0.06 -1.12 0.25 -0.53 0.00 0.00 176.83 175.51 2ahs h LEU 1880N -0.06 0.55 -0.30 2.23 5.85 -1.66 -2.36 115.31 119.55 2ahs h LEU 1880Ca -0.00 -0.50 0.04 0.00 0.84 0.00 0.00 57.88 58.25 2ahs h LEU 1880Cb 0.06 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2ahs h LEU 1880CO 0.00 1.34 0.09 0.40 -0.34 0.00 0.00 178.44 179.93 2ahs h ILE 1881N 0.17 0.90 -0.24 4.05 2.04 -1.30 0.11 117.51 123.24 2ahs h ILE 1881Ca -0.12 -0.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 2ahs h ILE 1881Cb 1.80 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 2ahs h ILE 1881CO 0.19 0.04 -0.31 -0.61 0.00 0.00 0.00 178.15 177.47 2ahs h GLN 1882N 0.22 0.50 -0.12 2.37 -0.00 -1.15 -1.47 115.11 115.46 2ahs h GLN 1882Ca 0.14 -0.21 -0.01 0.00 -0.00 0.00 0.00 58.65 58.56 2ahs h GLN 1882Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.58 2ahs h GLN 1882CO -0.15 0.75 0.04 0.35 0.00 0.00 0.00 178.83 179.82 2ahs h PHE 1883N 0.43 0.20 -0.49 3.99 3.57 -1.06 -1.66 116.94 121.92 2ahs h PHE 1883Ca 0.05 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.54 2ahs h PHE 1883Cb 0.75 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 2ahs h PHE 1883CO 0.03 0.34 0.31 0.28 -2.23 0.00 0.00 178.31 177.04 2ahs h VAL 1884N 0.01 1.10 -0.63 1.41 2.07 -0.69 -0.95 116.25 118.57 2ahs h VAL 1884Ca 0.04 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 2ahs h VAL 1884Cb 0.23 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2ahs h VAL 1884CO -0.00 0.12 0.16 0.03 0.02 0.00 0.00 177.57 177.89 2ahs h ARG 1885N 0.64 0.98 0.15 1.57 3.08 -1.24 0.64 114.38 120.20 2ahs h ARG 1885Ca 0.18 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2ahs h ARG 1885Cb -0.05 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.87 2ahs h ARG 1885CO -0.06 0.87 -0.07 1.15 -1.07 0.00 0.00 179.97 180.79 2ahs h THR 1886N 0.94 0.90 -0.42 2.04 2.02 -1.07 -1.00 112.91 116.32 2ahs h THR 1886Ca 0.20 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 67.22 2ahs h THR 1886Cb 0.33 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 2ahs h THR 1886CO -0.00 0.05 0.18 0.58 0.37 0.00 0.00 175.52 176.70 2ahs h VAL 1887N -0.30 0.92 -0.95 3.16 2.07 -0.89 -2.74 116.25 117.52 2ahs h VAL 1887Ca -0.02 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.38 2ahs h VAL 1887Cb 0.23 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 2ahs h VAL 1887CO 0.03 0.07 0.63 -0.09 0.02 0.00 0.00 177.57 178.23 2ahs h ARG 1888N 0.37 1.25 -0.16 1.57 9.65 -0.81 -0.14 114.38 126.11 2ahs h ARG 1888Ca 0.19 -0.08 0.05 0.00 -1.10 0.00 0.00 59.98 59.04 2ahs h ARG 1888Cb 0.14 -0.28 -0.06 0.00 -1.39 0.00 0.00 29.97 28.38 2ahs h ARG 1888CO -0.17 0.83 -0.20 -0.44 2.80 0.00 0.00 179.97 182.80 2ahs h ASP 1889N 1.29 -0.63 -0.58 -3.80 3.32 -0.89 0.11 116.42 115.23 2ahs h ASP 1889Ca 0.35 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.46 2ahs h ASP 1889Cb -0.15 0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 2ahs h ASP 1889CO -0.07 -0.25 0.19 1.88 -1.72 0.00 0.00 179.24 179.26 2ahs h TYR 1890N -0.24 0.97 -0.46 4.55 0.05 -1.20 -2.04 116.97 118.60 2ahs h TYR 1890Ca 0.11 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2ahs h TYR 1890Cb 0.40 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 2ahs h TYR 1890CO -0.32 0.78 0.29 0.82 -1.05 0.00 0.00 178.16 178.68 2ahs h ILE 1891N 0.91 1.13 -0.03 -2.88 2.04 -0.53 -2.64 117.51 115.51 2ahs h ILE 1891Ca 0.20 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 2ahs h ILE 1891Cb 0.27 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2ahs h ILE 1891CO -0.01 0.13 -0.13 0.78 0.00 0.00 0.00 178.15 178.92 2ahs h ASN 1892N 0.61 0.04 -0.26 1.72 2.35 -0.67 -1.40 115.58 117.97 2ahs h ASN 1892Ca 0.17 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2ahs h ASN 1892Cb -0.04 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2ahs h ASN 1892CO -0.03 0.18 0.00 0.54 -1.65 0.00 0.00 177.43 176.47 2ahs n ARG 1893N -4.36 1.82 -2.73 0.81 1.74 -0.80 -4.27 116.66 108.87 2ahs n ARG 1893Ca -0.02 -1.03 -0.27 0.00 -0.77 0.00 0.00 57.85 55.75 2ahs n ARG 1893Cb 0.22 -1.34 -0.02 0.00 -1.02 0.00 0.00 32.46 30.30 2ahs n ARG 1893CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2ahs n SER 1894N 0.29 4.59 -4.77 0.55 7.64 -0.53 -5.04 113.62 116.36 2ahs n SER 1894Ca 0.09 -3.70 -0.40 0.00 1.01 0.00 0.00 58.87 55.87 2ahs n SER 1894Cb 0.31 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2ahs n SER 1894CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2ahs s PRO 1895N -3.51 3.93 0.00 1.43 0.04 -1.26 -2.23 135.00 133.40 2ahs s PRO 1895Ca 0.49 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.81 2ahs s PRO 1895Cb 0.33 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 32.10 2ahs s PRO 1895CO -0.16 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.72 2ahs n GLY 1896N 0.63 1.97 3.79 0.56 0.00 -1.26 -5.04 105.19 105.84 2ahs n GLY 1896Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2ahs n GLY 1896CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ahs s ALA 1897N -2.74 2.62 1.00 4.61 0.00 -0.95 -5.07 121.76 121.23 2ahs s ALA 1897Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.38 2ahs s ALA 1897Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2ahs s ALA 1897CO 0.00 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.13 2ahs n GLY 1898N -0.89 -0.67 3.72 0.00 0.00 0.01 -4.99 105.19 102.36 2ahs n GLY 1898Ca 0.09 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 2ahs n GLY 1898CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2ahs s PRO 1899N 0.00 1.75 -0.11 1.61 0.02 -1.25 -4.78 135.00 132.23 2ahs s PRO 1899Ca 0.00 1.51 -0.28 0.00 0.02 0.00 0.00 61.00 62.25 2ahs s PRO 1899Cb 0.00 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.69 2ahs s PRO 1899CO 0.00 -2.08 0.92 0.99 -0.33 0.00 0.00 177.00 176.50 2ahs s THR 1900N -2.51 4.84 -0.00 0.99 2.01 -0.41 -4.51 115.64 116.06 2ahs s THR 1900Ca 0.67 1.87 -0.29 0.00 0.31 0.00 0.00 61.69 64.25 2ahs s THR 1900Cb -0.23 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 2ahs s THR 1900CO 0.53 0.05 0.93 -0.69 -0.69 0.00 0.00 174.62 174.74 2ahs s VAL 1901N 1.85 4.87 -0.07 3.82 1.01 -0.77 -1.11 120.40 129.99 2ahs s VAL 1901Ca 0.45 1.95 0.03 0.00 0.00 0.00 0.00 61.98 64.40 2ahs s VAL 1901Cb -0.18 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 31.94 2ahs s VAL 1901CO 0.17 0.19 -0.14 -0.69 0.00 0.00 0.00 175.10 174.63 2ahs s VAL 1902N 0.87 1.26 0.07 2.92 1.01 0.27 0.26 120.40 127.07 2ahs s VAL 1902Ca 0.49 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 2ahs s VAL 1902Cb -0.21 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 2ahs s VAL 1902CO 0.26 0.38 0.10 -1.38 0.00 0.00 0.00 175.10 174.47 2ahs s HIS 1903N 0.58 0.28 0.00 5.22 -3.43 -0.12 -2.32 115.29 115.51 2ahs s HIS 1903Ca -0.15 -0.73 0.00 0.00 -0.80 0.00 0.00 55.06 53.38 2ahs s HIS 1903Cb -0.16 -0.19 0.00 0.00 -1.43 0.00 0.00 32.58 30.81 2ahs s HIS 1903CO 0.04 -0.46 0.00 0.00 -2.00 0.00 0.00 174.74 172.32 2ahs h SER 1905N 0.00 0.00 0.00 0.00 0.87 -1.90 -2.48 113.55 110.04 2ahs h SER 1905Ca 0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2ahs h SER 1905Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2ahs h SER 1905CO 0.00 0.82 -1.05 0.00 -0.53 0.00 0.00 176.83 176.07 2ahs n ALA 1906N -3.08 4.26 -2.56 6.23 0.00 -1.26 -0.53 120.51 123.56 2ahs n ALA 1906Ca -0.09 -0.53 -0.03 0.00 0.00 0.00 0.00 53.44 52.79 2ahs n ALA 1906Cb 0.27 -0.69 0.01 0.00 0.00 0.00 0.00 19.45 19.04 2ahs n ALA 1906CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ahs n GLY 1907N 1.44 0.69 1.63 0.00 0.00 -1.22 -4.11 105.19 103.62 2ahs n GLY 1907Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2ahs n GLY 1907CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ahs n VAL 1908N -2.99 0.42 0.00 1.61 0.24 -1.26 -4.65 118.33 111.69 2ahs n VAL 1908Ca -0.00 0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 2ahs n VAL 1908Cb 0.51 -0.85 0.00 0.00 -1.47 0.00 0.00 33.84 32.03 2ahs n VAL 1908CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ahs n GLY 1909N 2.28 -1.49 0.29 7.63 0.00 -1.26 -0.49 105.19 112.15 2ahs n GLY 1909Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2ahs n GLY 1909CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ahs h ARG 1910N 0.00 0.82 -0.29 1.61 3.08 -1.93 -1.77 114.38 115.90 2ahs h ARG 1910Ca 0.00 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 59.83 2ahs h ARG 1910Cb 0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2ahs h ARG 1910CO 0.00 0.83 0.16 1.15 -1.07 0.00 0.00 179.97 181.04 2ahs h THR 1911N 0.76 1.03 -0.52 2.04 2.02 -1.89 -0.66 112.91 115.69 2ahs h THR 1911Ca 0.14 -0.12 -0.10 0.00 0.77 0.00 0.00 66.41 67.11 2ahs h THR 1911Cb 0.48 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 2ahs h THR 1911CO 0.02 0.06 -0.06 1.23 0.37 0.00 0.00 175.52 177.14 2ahs h GLY 1912N 0.34 1.01 0.94 2.16 0.00 -0.49 -2.11 103.07 104.93 2ahs h GLY 1912Ca 0.11 -0.76 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 2ahs h GLY 1912CO -0.05 0.70 0.16 -0.84 0.00 0.00 0.00 176.54 176.50 2ahs h THR 1913N 0.85 1.18 -0.20 4.70 2.02 -1.19 -0.02 112.91 120.25 2ahs h THR 1913Ca 0.15 -0.56 0.05 0.00 0.77 0.00 0.00 66.41 66.82 2ahs h THR 1913Cb 0.58 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 2ahs h THR 1913CO 0.04 0.20 -0.11 0.15 0.37 0.00 0.00 175.52 176.16 2ahs h PHE 1914N 0.46 -0.28 -0.21 3.16 3.57 -0.92 -0.44 116.94 122.27 2ahs h PHE 1914Ca 0.12 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2ahs h PHE 1914Cb 0.17 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2ahs h PHE 1914CO -0.01 -0.17 0.06 0.82 -2.23 0.00 0.00 178.31 176.78 2ahs h ILE 1915N -0.10 1.20 -0.87 1.41 2.04 -1.27 -0.09 117.51 119.83 2ahs h ILE 1915Ca 0.11 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.37 2ahs h ILE 1915Cb 0.27 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 2ahs h ILE 1915CO -0.27 0.20 0.57 0.00 0.00 0.00 0.00 178.15 178.65 2ahs h ALA 1916N 0.88 1.12 -0.54 1.87 0.00 -0.91 -0.26 119.26 121.42 2ahs h ALA 1916Ca 0.07 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2ahs h ALA 1916Cb 0.25 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2ahs h ALA 1916CO -0.00 0.47 -0.07 1.25 0.00 0.00 0.00 179.25 180.90 2ahs h LEU 1917N 1.14 0.99 -0.21 0.00 5.85 -0.83 -0.54 115.31 121.72 2ahs h LEU 1917Ca 0.33 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2ahs h LEU 1917Cb -0.08 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.65 2ahs h LEU 1917CO -0.09 1.09 -0.04 -0.78 -0.34 0.00 0.00 178.44 178.28 2ahs h ASP 1918N 0.87 -0.17 -0.42 1.25 3.58 -0.42 -0.69 116.42 120.41 2ahs h ASP 1918Ca 0.14 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 2ahs h ASP 1918Cb 0.62 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 2ahs h ASP 1918CO 0.04 -0.06 0.26 0.03 -2.88 0.00 0.00 179.24 176.63 2ahs h ARG 1919N 0.01 0.56 -0.51 0.28 3.08 -0.89 -2.80 114.38 114.12 2ahs h ARG 1919Ca 0.10 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2ahs h ARG 1919Cb 0.15 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2ahs h ARG 1919CO -0.21 0.40 0.27 0.82 -1.07 0.00 0.00 179.97 180.19 2ahs h ILE 1920N 0.56 1.18 0.00 2.04 2.04 -0.88 -2.37 117.51 120.07 2ahs h ILE 1920Ca 0.15 -0.47 -0.09 0.00 1.00 0.00 0.00 64.86 65.45 2ahs h ILE 1920Cb -0.02 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2ahs h ILE 1920CO -0.03 0.19 -0.45 -0.07 0.00 0.00 0.00 178.15 177.80 2ahs h LEU 1921N 0.68 0.00 -0.23 1.44 3.38 -1.06 -1.25 115.31 118.26 2ahs h LEU 1921Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2ahs h LEU 1921Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2ahs h LEU 1921CO -0.03 0.45 -0.16 1.56 0.09 0.00 0.00 178.44 180.35 2ahs h GLN 1922N 0.00 0.51 -0.78 1.13 4.20 -1.38 -2.84 115.11 115.96 2ahs h GLN 1922Ca -0.00 -0.24 0.10 0.00 0.06 0.00 0.00 58.65 58.56 2ahs h GLN 1922Cb 0.88 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.59 2ahs h GLN 1922CO 0.06 0.81 0.42 1.96 -0.67 0.00 0.00 178.83 181.41 2ahs h GLN 1923N 0.22 0.68 0.00 1.46 4.20 -1.17 -2.57 115.11 117.93 2ahs h GLN 1923Ca 0.05 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 2ahs h GLN 1923Cb 0.68 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2ahs h GLN 1923CO 0.04 0.45 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.42 2ahs h LEU 1924N 0.70 0.00 -0.45 1.46 3.38 -1.19 -2.19 115.31 117.02 2ahs h LEU 1924Ca 0.38 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.19 2ahs h LEU 1924Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2ahs h LEU 1924CO -0.26 0.17 -0.44 0.44 0.09 0.00 0.00 178.44 178.43 2ahs h ASP 1925N 0.00 0.86 -0.48 -0.43 5.19 -1.21 -2.93 116.42 117.42 2ahs h ASP 1925Ca -0.00 -0.41 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 2ahs h ASP 1925Cb 0.39 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.65 2ahs h ASP 1925CO 0.02 1.17 0.00 -1.54 -3.12 0.00 0.00 179.24 175.77 2ahs n SER 1926N -4.03 4.50 0.00 6.45 3.41 -1.13 -5.14 113.62 117.69 2ahs n SER 1926Ca -0.03 -2.61 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 2ahs n SER 1926Cb 0.56 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 2ahs n SER 1926CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2ahs n LYS 1927N 0.62 0.00 -3.59 4.33 0.00 -0.84 -5.07 118.16 113.61 2ahs n LYS 1927Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.49 2ahs n LYS 1927Cb 0.92 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.89 2ahs n LYS 1927CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2ahs s VAL 1930N 0.00 -0.84 -0.73 3.15 1.01 -1.26 -4.87 120.40 116.87 2ahs s VAL 1930Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 2ahs s VAL 1930Cb 0.00 -0.86 0.19 0.00 0.00 0.00 0.00 36.38 35.71 2ahs s VAL 1930CO 0.00 0.02 0.58 -0.62 0.00 0.00 0.00 175.10 175.08 2ahs s ASP 1931N 2.76 5.72 0.01 3.32 2.15 -1.26 -4.93 116.67 124.45 2ahs s ASP 1931Ca -0.01 -2.99 -0.22 0.00 0.43 0.00 0.00 52.55 49.76 2ahs s ASP 1931Cb -0.13 -1.95 -0.17 0.00 -0.30 0.00 0.00 42.92 40.38 2ahs s ASP 1931CO -0.17 -0.38 1.29 0.40 -0.17 0.00 0.00 175.17 176.14 2ahs h ILE 1932N 4.92 1.38 -0.46 4.11 2.04 -1.99 -2.28 117.51 125.24 2ahs h ILE 1932Ca 0.05 -1.35 0.09 0.00 1.00 0.00 0.00 64.86 64.64 2ahs h ILE 1932Cb 0.95 2.05 -0.08 0.00 -0.74 0.00 0.00 36.82 39.00 2ahs h ILE 1932CO 0.75 0.38 -0.04 0.22 0.00 0.00 0.00 178.15 179.47 2ahs h TYR 1933N -0.18 -0.10 0.00 1.37 3.20 -2.00 -1.20 116.97 118.07 2ahs h TYR 1933Ca 0.01 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 2ahs h TYR 1933Cb 0.68 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 2ahs h TYR 1933CO 0.10 -0.13 -0.39 0.78 -1.64 0.00 0.00 178.16 176.87 2ahs h GLY 1934N 0.07 0.00 0.69 1.82 0.00 -1.98 0.74 103.07 104.41 2ahs h GLY 1934Ca 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 2ahs h GLY 1934CO -0.41 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 176.13 2ahs h ALA 1935N 1.61 0.00 -0.16 3.60 0.00 -0.73 -2.16 119.26 121.42 2ahs h ALA 1935Ca -0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2ahs h ALA 1935Cb 0.80 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2ahs h ALA 1935CO 0.05 -0.34 -0.46 0.28 0.00 0.00 0.00 179.25 178.78 2ahs h VAL 1936N -0.31 1.32 -0.33 0.00 2.07 -0.78 -1.89 116.25 116.33 2ahs h VAL 1936Ca 0.00 -1.66 0.02 0.00 0.82 0.00 0.00 66.70 65.88 2ahs h VAL 1936Cb 0.31 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2ahs h VAL 1936CO 0.00 0.51 0.18 -0.74 0.02 0.00 0.00 177.57 177.54 2ahs h HIS 1937N 0.33 0.34 -0.69 1.57 6.17 -0.90 -0.16 115.15 121.80 2ahs h HIS 1937Ca 0.02 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.10 2ahs h HIS 1937Cb 0.94 -0.10 -0.03 0.00 2.52 0.00 0.00 27.41 30.73 2ahs h HIS 1937CO 0.03 0.19 0.36 0.22 0.71 0.00 0.00 177.93 179.44 2ahs h ASP 1938N 0.37 0.88 -0.65 3.26 3.58 -0.96 -1.75 116.42 121.16 2ahs h ASP 1938Ca 0.14 -0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 2ahs h ASP 1938Cb 0.03 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 2ahs h ASP 1938CO -0.08 0.74 0.35 -0.07 -2.88 0.00 0.00 179.24 177.30 2ahs h LEU 1939N 0.96 0.82 -1.06 2.28 3.38 -0.95 -3.04 115.31 117.70 2ahs h LEU 1939Ca 0.24 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2ahs h LEU 1939Cb 0.07 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2ahs h LEU 1939CO -0.04 0.69 -0.14 0.03 0.09 0.00 0.00 178.44 179.08 2ahs h ARG 1940N 0.89 0.50 -0.08 1.13 2.47 -0.56 -1.11 114.38 117.62 2ahs h ARG 1940Ca 0.23 -0.15 0.02 0.00 -1.26 0.00 0.00 59.98 58.82 2ahs h ARG 1940Cb 0.06 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.33 2ahs h ARG 1940CO -0.03 0.64 0.08 -0.07 0.56 0.00 0.00 179.97 181.14 2ahs h LEU 1941N 0.46 0.00 0.00 3.04 3.38 -1.22 -3.19 115.31 117.78 2ahs h LEU 1941Ca 0.08 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.76 2ahs h LEU 1941Cb 0.52 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 2ahs h LEU 1941CO 0.03 0.00 -2.29 1.41 0.09 0.00 0.00 178.44 177.68 2ahs n HIS 1942N -4.02 0.03 -3.67 1.13 8.25 -0.62 -4.85 115.22 111.46 2ahs n HIS 1942Ca -0.01 0.01 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 2ahs n HIS 1942Cb 0.18 -0.91 -0.08 0.00 1.12 0.00 0.00 29.99 30.30 2ahs n HIS 1942CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2ahs s ARG 1943N -2.69 0.70 0.44 -0.41 3.52 -0.52 -4.59 118.95 115.40 2ahs s ARG 1943Ca -0.09 0.54 -0.25 0.00 -0.13 0.00 0.00 55.73 55.80 2ahs s ARG 1943Cb 0.08 0.34 -0.10 0.00 -1.56 0.00 0.00 34.95 33.71 2ahs s ARG 1943CO 0.84 -0.13 1.18 1.55 -0.81 0.00 0.00 175.30 177.93 2ahs n VAL 1944N 2.28 2.65 -1.16 7.11 3.14 -1.26 -3.59 118.33 127.49 2ahs n VAL 1944Ca -0.16 -0.50 -0.06 0.00 -2.96 0.00 0.00 64.34 60.67 2ahs n VAL 1944Cb 0.56 -1.42 -0.02 0.00 -1.06 0.00 0.00 33.84 31.90 2ahs n VAL 1944CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2ahs n HIS 1945N -0.41 0.00 -1.68 1.45 8.25 -1.26 -4.82 115.22 116.75 2ahs n HIS 1945Ca 0.08 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.12 2ahs n HIS 1945Cb 0.40 -2.15 -0.03 0.00 1.12 0.00 0.00 29.99 29.33 2ahs n HIS 1945CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2ahs s MET 1946N -2.29 3.84 -0.21 -0.41 1.00 -1.24 -2.29 119.30 117.71 2ahs s MET 1946Ca 0.00 2.40 -0.03 0.00 0.00 0.00 0.00 55.69 58.06 2ahs s MET 1946Cb 0.00 -4.21 0.00 0.00 0.00 0.00 0.00 34.83 30.62 2ahs s MET 1946CO 0.00 -1.30 0.11 0.28 0.00 0.00 0.00 175.02 174.11 2ahs n VAL 1947N 6.22 -8.07 0.08 -6.03 0.31 -1.12 -4.72 118.33 105.00 2ahs n VAL 1947Ca 0.23 0.98 0.06 0.00 -0.01 0.00 0.00 64.34 65.60 2ahs n VAL 1947Cb 0.42 -5.89 -0.02 0.00 -0.91 0.00 0.00 33.84 27.44 2ahs n VAL 1947CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2ahs h GLN 1948N 1.70 0.00 -5.96 5.55 4.15 -1.63 -3.47 115.11 115.46 2ahs h GLN 1948Ca 0.00 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.89 2ahs h GLN 1948Cb 0.18 0.00 -0.17 0.00 0.21 0.00 0.00 27.48 27.69 2ahs h GLN 1948CO 0.08 0.17 -0.78 0.95 -1.93 0.00 0.00 178.83 177.32 2ahs s THR 1949N -3.13 1.90 0.33 2.39 -4.23 -1.26 -5.04 115.64 106.60 2ahs s THR 1949Ca -0.01 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 2ahs s THR 1949Cb 0.09 -1.92 0.20 0.00 1.34 0.00 0.00 72.50 72.20 2ahs s THR 1949CO 0.79 -0.34 1.92 -0.08 -0.54 0.00 0.00 174.62 176.36 2ahs h GLU 1950N 3.08 0.71 -0.56 3.99 4.81 -1.99 -2.28 114.58 122.34 2ahs h GLU 1950Ca -0.42 -0.10 0.08 0.00 -0.13 0.00 0.00 59.36 58.79 2ahs h GLU 1950Cb 1.21 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.40 2ahs h GLU 1950CO 0.53 0.59 0.19 0.00 -0.73 0.00 0.00 179.01 179.60 2ahs h GLN 1952N 0.37 0.96 -0.36 0.00 4.20 -1.87 0.18 115.11 118.60 2ahs h GLN 1952Ca 0.28 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 2ahs h GLN 1952Cb 0.33 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2ahs h GLN 1952CO -0.29 0.64 0.11 -0.92 -0.67 0.00 0.00 178.83 177.70 2ahs h TYR 1953N 0.99 0.58 0.00 2.96 3.20 -0.82 -2.67 116.97 121.21 2ahs h TYR 1953Ca 0.27 -0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.95 2ahs h TYR 1953Cb -0.10 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 2ahs h TYR 1953CO -0.02 0.57 -0.59 -0.39 -1.64 0.00 0.00 178.16 176.09 2ahs h VAL 1954N 0.43 1.35 -0.91 1.81 -1.51 -0.53 -3.05 116.25 113.83 2ahs h VAL 1954Ca 0.11 -2.06 0.04 0.00 -1.23 0.00 0.00 66.70 63.56 2ahs h VAL 1954Cb 0.26 2.13 -0.05 0.00 -2.13 0.00 0.00 31.29 31.50 2ahs h VAL 1954CO -0.00 0.58 0.60 0.22 -1.23 0.00 0.00 177.57 177.73 2ahs h TYR 1955N 0.00 1.09 -0.58 5.19 3.20 -0.68 0.30 116.97 125.50 2ahs h TYR 1955Ca -0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 2ahs h TYR 1955Cb 1.09 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 2ahs h TYR 1955CO 0.00 0.62 0.30 -0.07 -1.64 0.00 0.00 178.16 177.37 2ahs h LEU 1956N 1.12 0.73 -0.75 2.82 3.38 -1.37 0.57 115.31 121.81 2ahs h LEU 1956Ca 0.37 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 2ahs h LEU 1956Cb 0.06 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2ahs h LEU 1956CO -0.12 0.63 0.25 0.45 0.09 0.00 0.00 178.44 179.74 2ahs h HIS 1957N 0.78 1.20 -0.75 1.13 3.86 -1.52 -2.04 115.15 117.81 2ahs h HIS 1957Ca 0.20 -0.12 0.05 0.00 -1.16 0.00 0.00 60.37 59.35 2ahs h HIS 1957Cb 0.07 -0.35 -0.05 0.00 1.06 0.00 0.00 27.41 28.15 2ahs h HIS 1957CO -0.01 0.94 0.50 0.37 0.86 0.00 0.00 177.93 180.59 2ahs h GLN 1958N 1.12 0.81 -0.01 2.45 4.15 -0.38 -0.53 115.11 122.72 2ahs h GLN 1958Ca 0.25 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 2ahs h GLN 1958Cb 0.29 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 2ahs h GLN 1958CO -0.01 0.54 -0.00 0.00 -1.93 0.00 0.00 178.83 177.43 2ahs h VAL 1960N -0.42 0.99 -0.99 0.00 2.07 -1.16 -1.01 116.25 115.74 2ahs h VAL 1960Ca 0.00 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.39 2ahs h VAL 1960Cb 0.44 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 2ahs h VAL 1960CO 0.00 0.09 0.65 0.03 0.02 0.00 0.00 177.57 178.36 2ahs h ARG 1961N 0.51 1.19 -0.22 1.57 3.08 -1.15 -1.18 114.38 118.17 2ahs h ARG 1961Ca 0.20 -0.07 -0.16 0.00 0.07 0.00 0.00 59.98 60.02 2ahs h ARG 1961Cb 0.08 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 2ahs h ARG 1961CO -0.13 0.79 -0.53 -0.44 -1.07 0.00 0.00 179.97 178.59 2ahs h ASP 1962N 1.23 0.71 -0.51 7.04 3.32 -0.94 -3.05 116.42 124.22 2ahs h ASP 1962Ca 0.41 -0.37 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 2ahs h ASP 1962Cb 0.05 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2ahs h ASP 1962CO -0.14 1.11 0.03 0.58 -1.72 0.00 0.00 179.24 179.10 2ahs h VAL 1963N 0.50 1.26 -0.51 -1.35 2.07 -0.84 -3.23 116.25 114.16 2ahs h VAL 1963Ca 0.01 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 2ahs h VAL 1963Cb 1.09 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 2ahs h VAL 1963CO 0.11 0.37 0.26 -0.07 0.02 0.00 0.00 177.57 178.25 2ahs h LEU 1964N 0.75 0.63 -8.31 2.57 3.38 -1.16 -3.25 115.31 109.91 2ahs h LEU 1964Ca 0.15 -0.05 -0.39 0.00 0.09 0.00 0.00 57.88 57.68 2ahs h LEU 1964Cb 0.47 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2ahs h LEU 1964CO 0.02 0.52 0.99 -0.13 0.09 0.00 0.00 178.44 179.93 2ahs s ARG 1965N -5.45 2.65 0.00 1.13 3.00 -1.16 -5.12 118.95 114.01 2ahs s ARG 1965Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 55.73 55.61 2ahs s ARG 1965Cb 0.17 -4.83 0.00 0.00 0.00 0.00 0.00 34.95 30.29 2ahs s ARG 1965CO 0.76 -3.06 0.00 0.00 0.00 0.00 0.00 175.30 173.00