#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h03 n THR 1679N 0.00 0.00 -3.66 -0.18 -1.04 -1.26 -5.04 114.28 103.09 2h03 n THR 1679Ca 0.00 -0.25 -0.14 0.00 -2.04 0.00 0.00 64.05 61.62 2h03 n THR 1679Cb 0.00 0.26 -0.08 0.00 -1.82 0.00 0.00 70.33 68.69 2h03 n THR 1679CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2h03 s SER 1680N -3.25 -0.61 -0.47 8.00 0.15 -1.26 -4.26 113.70 111.99 2h03 s SER 1680Ca -0.04 1.15 0.06 0.00 0.70 0.00 0.00 55.95 57.81 2h03 s SER 1680Cb 0.07 1.16 0.20 0.00 -1.71 0.00 0.00 66.02 65.74 2h03 s SER 1680CO 0.46 -0.24 0.46 0.00 1.20 0.00 0.00 173.24 175.11 2h03 s PRO 1682N -0.79 3.85 -0.09 0.00 0.02 -1.26 -4.55 135.00 132.18 2h03 s PRO 1682Ca 0.33 1.83 0.03 0.00 0.02 0.00 0.00 61.00 63.21 2h03 s PRO 1682Cb 0.08 -2.51 0.01 0.00 0.02 0.00 0.00 34.50 32.10 2h03 s PRO 1682CO -0.15 -0.49 -0.17 0.42 -0.33 0.00 0.00 177.00 176.28 2h03 s ILE 1683N -1.48 1.55 0.27 2.83 1.01 -0.00 -4.95 121.20 120.44 2h03 s ILE 1683Ca 0.61 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 60.26 2h03 s ILE 1683Cb -0.30 -1.39 -0.10 0.00 0.01 0.00 0.00 42.46 40.68 2h03 s ILE 1683CO 0.37 0.45 1.32 -0.54 0.00 0.00 0.00 174.94 176.54 2h03 s LYS 1684N 0.66 4.37 0.45 2.79 -0.14 -1.26 -0.57 119.74 126.03 2h03 s LYS 1684Ca -0.14 2.16 0.11 0.00 -1.36 0.00 0.00 55.97 56.74 2h03 s LYS 1684Cb -0.16 -3.12 1.00 0.00 -1.68 0.00 0.00 37.83 33.87 2h03 s LYS 1684CO 0.04 -0.22 2.07 -0.84 -0.76 0.00 0.00 175.35 175.63 2h03 h ILE 1685N 3.34 1.08 0.00 2.17 3.07 -1.29 -0.23 117.51 125.64 2h03 h ILE 1685Ca -0.47 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 65.72 2h03 h ILE 1685Cb 1.22 0.80 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 2h03 h ILE 1685CO 0.71 0.09 0.00 -0.55 -1.05 0.00 0.00 178.15 177.35 2h03 h ASN 1686N 0.30 0.00 -0.02 2.16 -1.07 -1.90 -2.38 115.58 112.66 2h03 h ASN 1686Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.45 2h03 h ASN 1686Cb 0.03 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.28 2h03 h ASN 1686CO -0.01 0.00 -0.28 0.00 0.07 0.00 0.00 177.43 177.21 2h03 n GLN 1687N -2.33 1.66 -0.12 4.14 6.02 -0.13 -4.70 117.38 121.94 2h03 n GLN 1687Ca 0.02 -1.37 -0.10 0.00 -0.01 0.00 0.00 57.00 55.54 2h03 n GLN 1687Cb 0.23 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 30.00 2h03 n GLN 1687CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 2h03 h PHE 1688N 3.34 0.54 0.03 1.08 3.57 -1.11 -0.59 116.94 123.79 2h03 h PHE 1688Ca 0.00 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.49 2h03 h PHE 1688Cb 0.85 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 2h03 h PHE 1688CO 0.00 0.50 -0.29 1.49 -2.23 0.00 0.00 178.31 177.78 2h03 h GLU 1689N 0.41 -0.44 -0.49 1.11 4.57 -1.84 0.20 114.58 118.11 2h03 h GLU 1689Ca 0.12 0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.24 2h03 h GLU 1689Cb 0.20 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 2h03 h GLU 1689CO -0.01 -0.29 -0.04 0.78 -1.18 0.00 0.00 179.01 178.27 2h03 h GLY 1690N -0.46 0.96 0.81 1.92 0.00 -1.87 -2.23 103.07 102.20 2h03 h GLY 1690Ca 0.05 -0.73 0.04 0.00 0.00 0.00 0.00 47.33 46.69 2h03 h GLY 1690CO -0.23 0.67 0.34 0.84 0.00 0.00 0.00 176.54 178.16 2h03 h HIS 1691N 0.74 0.63 -0.90 5.60 -0.00 -0.74 -0.87 115.15 119.61 2h03 h HIS 1691Ca 0.13 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 2h03 h HIS 1691Cb 0.57 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.73 2h03 h HIS 1691CO 0.04 0.34 0.57 0.35 -0.00 0.00 0.00 177.93 179.24 2h03 h PHE 1692N 0.66 1.15 -0.62 5.26 3.57 -0.41 0.24 116.94 126.80 2h03 h PHE 1692Ca 0.24 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 2h03 h PHE 1692Cb 0.07 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 38.40 2h03 h PHE 1692CO -0.07 0.74 0.34 0.52 -2.23 0.00 0.00 178.31 177.61 2h03 h MET 1693N 1.23 0.86 -0.77 1.11 2.86 -0.78 -1.79 114.93 117.64 2h03 h MET 1693Ca 0.33 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 2h03 h MET 1693Cb -0.11 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.35 2h03 h MET 1693CO -0.07 0.65 0.46 -0.22 1.06 0.00 0.00 176.91 178.79 2h03 h LYS 1694N 0.84 1.06 0.00 1.72 3.64 -0.75 -1.88 116.57 121.20 2h03 h LYS 1694Ca 0.22 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2h03 h LYS 1694Cb 0.04 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 2h03 h LYS 1694CO -0.04 0.76 -0.15 -0.07 -2.27 0.00 0.00 179.45 177.68 2h03 h LEU 1695N 1.06 0.00 0.00 5.20 4.07 -0.57 -2.66 115.31 122.41 2h03 h LEU 1695Ca 0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.24 2h03 h LEU 1695Cb -0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.72 2h03 h LEU 1695CO -0.05 0.15 -0.64 1.56 -1.08 0.00 0.00 178.44 178.39 2h03 h GLN 1696N 0.00 0.00 -7.01 1.13 4.20 -1.01 -2.74 115.11 109.68 2h03 h GLN 1696Ca -0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 2h03 h GLN 1696Cb 0.28 0.00 0.18 0.00 0.30 0.00 0.00 27.48 28.23 2h03 h GLN 1696CO 0.02 0.00 0.17 0.00 -0.67 0.00 0.00 178.83 178.35 2h03 n ALA 1697N -1.88 -0.12 -3.73 3.87 0.00 -0.73 -0.93 120.51 116.98 2h03 n ALA 1697Ca 0.03 -0.21 -0.25 0.00 0.00 0.00 0.00 53.44 53.01 2h03 n ALA 1697Cb 0.46 -2.15 0.03 0.00 0.00 0.00 0.00 19.45 17.78 2h03 n ALA 1697CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2h03 n ASP 1698N -2.00 -2.52 -3.55 0.00 2.03 -1.26 -2.00 116.55 107.24 2h03 n ASP 1698Ca 0.13 -0.92 -0.21 0.00 0.52 0.00 0.00 54.79 54.31 2h03 n ASP 1698Cb 0.50 -3.68 0.05 0.00 -0.72 0.00 0.00 41.12 37.26 2h03 n ASP 1698CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2h03 n SER 1699N -2.94 -3.51 -2.80 1.67 7.64 -1.22 -2.41 113.62 110.05 2h03 n SER 1699Ca -0.23 -0.81 -0.20 0.00 1.01 0.00 0.00 58.87 58.64 2h03 n SER 1699Cb 0.65 -4.34 0.01 0.00 -1.01 0.00 0.00 64.21 59.52 2h03 n SER 1699CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2h03 n ASN 1700N -3.03 -5.30 -0.05 6.43 5.03 -0.11 -4.90 115.26 113.32 2h03 n ASN 1700Ca -0.20 -0.14 -0.08 0.00 0.87 0.00 0.00 54.58 55.03 2h03 n ASN 1700Cb 0.64 -4.37 -0.02 0.00 -1.02 0.00 0.00 39.78 35.02 2h03 n ASN 1700CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 2h03 h TYR 1701N -0.69 -0.00 -0.01 3.10 3.20 -1.04 0.13 116.97 121.66 2h03 h TYR 1701Ca -0.46 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.23 2h03 h TYR 1701Cb 1.33 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.62 2h03 h TYR 1701CO 0.59 -0.03 -0.83 -0.07 -1.64 0.00 0.00 178.16 176.18 2h03 h LEU 1702N 0.08 0.28 -0.58 2.82 3.38 -1.78 -2.09 115.31 117.42 2h03 h LEU 1702Ca 0.11 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2h03 h LEU 1702Cb 0.14 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2h03 h LEU 1702CO -0.18 0.99 0.36 -0.07 0.09 0.00 0.00 178.44 179.62 2h03 h LEU 1703N 0.13 0.69 -0.59 1.67 3.38 -1.30 -1.78 115.31 117.52 2h03 h LEU 1703Ca -0.04 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2h03 h LEU 1703Cb 1.43 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2h03 h LEU 1703CO 0.13 0.54 0.09 0.28 0.09 0.00 0.00 178.44 179.57 2h03 h SER 1704N 0.78 0.94 -0.48 -0.43 0.02 -0.82 -1.17 113.55 112.40 2h03 h SER 1704Ca 0.21 -0.26 0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2h03 h SER 1704Cb -0.03 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 2h03 h SER 1704CO -0.04 0.96 0.24 0.50 -1.14 0.00 0.00 176.83 177.36 2h03 h LYS 1705N 0.88 0.47 0.12 3.45 3.64 -1.23 -1.06 116.57 122.84 2h03 h LYS 1705Ca 0.18 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2h03 h LYS 1705Cb 0.43 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2h03 h LYS 1705CO 0.01 0.31 -0.06 0.93 -2.27 0.00 0.00 179.45 178.37 2h03 h GLU 1706N 0.48 -0.16 -0.90 1.90 5.08 -1.09 -2.40 114.58 117.50 2h03 h GLU 1706Ca 0.21 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.65 2h03 h GLU 1706Cb 0.12 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 2h03 h GLU 1706CO -0.15 -0.10 0.58 -0.92 -1.00 0.00 0.00 179.01 177.43 2h03 h TYR 1707N -0.17 1.03 -0.07 4.33 3.20 -0.90 -1.67 116.97 122.72 2h03 h TYR 1707Ca -0.02 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 2h03 h TYR 1707Cb 0.13 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 2h03 h TYR 1707CO -0.07 0.54 -0.44 0.93 -1.64 0.00 0.00 178.16 177.49 2h03 h GLU 1708N 1.02 0.17 0.00 1.82 5.08 -1.07 -2.21 114.58 119.39 2h03 h GLU 1708Ca 0.39 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 2h03 h GLU 1708Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2h03 h GLU 1708CO -0.14 0.58 -0.14 1.49 -1.00 0.00 0.00 179.01 179.80 2h03 h GLU 1709N 0.14 0.00 0.00 2.33 4.57 -0.78 -0.97 114.58 119.87 2h03 h GLU 1709Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2h03 h GLU 1709Cb 0.84 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 2h03 h GLU 1709CO 0.06 0.14 0.00 1.28 -1.18 0.00 0.00 179.01 179.31 2h03 n LEU 1710N -3.87 0.00 -0.30 1.64 4.77 -0.83 -4.42 117.00 113.99 2h03 n LEU 1710Ca -0.02 0.49 0.05 0.00 -0.03 0.00 0.00 56.01 56.50 2h03 n LEU 1710Cb 0.23 -0.49 0.19 0.00 -2.33 0.00 0.00 43.42 41.03 2h03 n LEU 1710CO 0.32 -0.03 1.13 0.50 -1.33 0.00 0.00 177.39 177.99 2h03 h LYS 1711N 0.00 0.73 -0.42 3.23 3.64 -1.20 -2.33 116.57 120.22 2h03 h LYS 1711Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2h03 h LYS 1711Cb 0.46 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2h03 h LYS 1711CO 0.00 0.48 0.00 -0.25 -2.27 0.00 0.00 179.45 177.41 2h03 n ASP 1712N -4.78 3.36 -4.74 4.20 8.00 -1.26 -4.94 116.55 116.40 2h03 n ASP 1712Ca 0.15 -1.95 -0.42 0.00 0.71 0.00 0.00 54.79 53.28 2h03 n ASP 1712Cb 0.34 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 2h03 n ASP 1712CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2h03 s VAL 1713N -1.26 2.32 0.00 2.53 1.01 -0.88 -2.07 120.40 122.05 2h03 s VAL 1713Ca 0.36 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2h03 s VAL 1713Cb 0.21 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2h03 s VAL 1713CO 0.28 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.02 2h03 n GLY 1714N 2.88 2.67 0.00 4.51 0.00 -1.26 -4.54 105.19 109.45 2h03 n GLY 1714Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 2h03 n GLY 1714CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h03 n ARG 1715N -2.00 0.84 -0.72 1.61 5.12 -0.88 -3.02 116.66 117.61 2h03 n ARG 1715Ca 0.00 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.78 2h03 n ARG 1715Cb 0.00 -1.47 0.07 0.00 -1.16 0.00 0.00 32.46 29.91 2h03 n ARG 1715CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2h03 n ASN 1716N -0.97 4.53 -4.25 0.55 6.94 -1.26 -4.88 115.26 115.92 2h03 n ASN 1716Ca 0.19 -2.91 -0.22 0.00 -0.02 0.00 0.00 54.58 51.62 2h03 n ASN 1716Cb 0.09 -0.81 -0.12 0.00 -2.36 0.00 0.00 39.78 36.57 2h03 n ASN 1716CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2h03 s GLN 1717N -1.75 1.03 0.35 -3.83 -0.21 -1.17 -5.14 119.66 108.95 2h03 s GLN 1717Ca 0.30 -1.11 -0.26 0.00 0.02 0.00 0.00 55.36 54.31 2h03 s GLN 1717Cb 0.25 -1.19 -0.09 0.00 1.00 0.00 0.00 33.01 32.97 2h03 s GLN 1717CO 0.03 0.27 1.03 -1.54 -2.12 0.00 0.00 175.29 172.97 2h03 s SER 1718N -1.90 7.05 -0.48 5.90 1.04 -1.26 -4.95 113.70 119.09 2h03 s SER 1718Ca 0.04 2.05 0.04 0.00 0.48 0.00 0.00 55.95 58.57 2h03 s SER 1718Cb -0.10 -2.60 0.42 0.00 0.10 0.00 0.00 66.02 63.84 2h03 s SER 1718CO 0.04 -0.29 1.25 0.00 0.98 0.00 0.00 173.24 175.22 2h03 h ASP 1720N 2.57 -0.23 -0.50 0.00 3.32 -1.94 -2.59 116.42 117.05 2h03 h ASP 1720Ca 0.35 -0.30 0.05 0.00 0.02 0.00 0.00 57.03 57.15 2h03 h ASP 1720Cb 0.89 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.45 2h03 h ASP 1720CO 0.93 0.28 0.25 0.40 -1.72 0.00 0.00 179.24 179.37 2h03 h ILE 1721N -0.86 0.94 -0.16 0.35 1.08 -1.92 -1.62 117.51 115.33 2h03 h ILE 1721Ca -0.03 -0.16 0.05 0.00 -0.39 0.00 0.00 64.86 64.32 2h03 h ILE 1721Cb 0.51 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 2h03 h ILE 1721CO 0.05 0.09 0.17 0.00 -0.69 0.00 0.00 178.15 177.76 2h03 h ALA 1722N 1.28 1.79 -0.00 1.87 0.00 -1.83 -2.63 119.26 119.73 2h03 h ALA 1722Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2h03 h ALA 1722Cb 0.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2h03 h ALA 1722CO -0.17 -0.25 -0.45 1.28 0.00 0.00 0.00 179.25 179.66 2h03 n LEU 1723N -3.85 0.94 -4.65 0.00 4.77 -0.63 -4.51 117.00 109.06 2h03 n LEU 1723Ca 0.01 -0.25 -0.45 0.00 -0.03 0.00 0.00 56.01 55.29 2h03 n LEU 1723Cb 0.29 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2h03 n LEU 1723CO 0.28 0.19 0.94 0.18 -1.33 0.00 0.00 177.39 177.65 2h03 n LEU 1724N -0.99 2.82 -0.16 2.23 4.77 -0.99 -4.85 117.00 119.83 2h03 n LEU 1724Ca 0.08 1.15 0.19 0.00 -0.03 0.00 0.00 56.01 57.40 2h03 n LEU 1724Cb 0.35 -1.39 0.57 0.00 -2.33 0.00 0.00 43.42 40.62 2h03 n LEU 1724CO 0.31 -0.66 1.22 -0.65 -1.33 0.00 0.00 177.39 176.28 2h03 h PRO 1725N 3.85 0.27 0.00 3.23 0.11 -1.91 0.12 132.00 137.67 2h03 h PRO 1725Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2h03 h PRO 1725Cb 1.29 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2h03 h PRO 1725CO 0.73 0.18 0.00 1.05 -0.21 0.00 0.00 178.00 179.75 2h03 h GLU 1726N 0.28 0.00 -0.01 1.05 4.11 -1.94 -2.85 114.58 115.21 2h03 h GLU 1726Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.81 2h03 h GLU 1726Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2h03 h GLU 1726CO -0.10 0.00 -0.46 0.09 0.07 0.00 0.00 179.01 178.61 2h03 n ASN 1727N -2.31 1.41 -0.17 3.06 3.02 0.37 -4.64 115.26 116.00 2h03 n ASN 1727Ca 0.03 -1.20 -0.02 0.00 -0.03 0.00 0.00 54.58 53.36 2h03 n ASN 1727Cb 0.28 0.62 0.06 0.00 -0.61 0.00 0.00 39.78 40.14 2h03 n ASN 1727CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2h03 h ARG 1728N 1.33 0.11 0.00 3.52 2.43 -1.19 -1.18 114.38 119.41 2h03 h ARG 1728Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2h03 h ARG 1728Cb 0.51 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2h03 h ARG 1728CO 0.00 0.07 0.00 0.41 -1.51 0.00 0.00 179.97 178.94 2h03 n GLY 1729N -1.33 -1.03 0.38 2.80 0.00 -1.26 -2.52 105.19 102.23 2h03 n GLY 1729Ca 0.06 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.09 2h03 n GLY 1729CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2h03 n LYS 1730N -1.25 1.22 -3.90 1.61 5.02 -0.45 -4.85 118.16 115.56 2h03 n LYS 1730Ca 0.12 -0.76 -0.36 0.00 -2.02 0.00 0.00 58.31 55.30 2h03 n LYS 1730Cb 0.18 -1.48 -0.11 0.00 -0.02 0.00 0.00 35.03 33.59 2h03 n LYS 1730CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2h03 s ASN 1731N -2.30 5.44 0.17 4.39 0.01 -1.05 -4.51 114.94 117.10 2h03 s ASN 1731Ca 0.29 -0.04 -0.09 0.00 -0.71 0.00 0.00 52.86 52.30 2h03 s ASN 1731Cb 0.20 -1.95 0.05 0.00 0.41 0.00 0.00 41.25 39.95 2h03 s ASN 1731CO 0.45 0.08 1.59 -0.09 -1.51 0.00 0.00 177.10 177.62 2h03 h ARG 1732N 7.42 1.03 -4.39 -0.60 2.43 -1.89 -3.42 114.38 114.97 2h03 h ARG 1732Ca -0.37 -0.39 -0.56 0.00 -0.81 0.00 0.00 59.98 57.85 2h03 h ARG 1732Cb 1.17 -0.06 -0.37 0.00 -0.42 0.00 0.00 29.97 30.30 2h03 h ARG 1732CO 0.64 1.07 -0.81 0.71 -1.51 0.00 0.00 179.97 180.07 2h03 s TYR 1733N -4.82 1.82 0.58 2.20 2.02 -1.26 -5.04 117.35 112.85 2h03 s TYR 1733Ca -0.11 -1.02 0.30 0.00 -0.37 0.00 0.00 57.07 55.87 2h03 s TYR 1733Cb 0.13 -1.40 1.81 0.00 -0.40 0.00 0.00 41.96 42.10 2h03 s TYR 1733CO 0.86 -0.60 2.24 -2.95 -1.57 0.00 0.00 175.55 173.54 2h03 h ASN 1734N 8.11 0.00 0.99 2.29 7.08 -1.94 -1.90 115.58 130.21 2h03 h ASN 1734Ca -0.32 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.90 2h03 h ASN 1734Cb 1.13 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.37 2h03 h ASN 1734CO 0.45 0.01 -0.38 -0.46 -2.08 0.00 0.00 177.43 174.97 2h03 n ASN 1735N -3.80 0.64 -4.15 6.14 6.94 -1.26 -4.71 115.26 115.06 2h03 n ASN 1735Ca -0.03 0.23 -0.38 0.00 -0.02 0.00 0.00 54.58 54.38 2h03 n ASN 1735Cb 0.10 -0.15 -0.09 0.00 -2.36 0.00 0.00 39.78 37.28 2h03 n ASN 1735CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2h03 s ILE 1736N -3.11 3.94 0.04 1.53 -1.09 -0.72 -5.05 121.20 116.74 2h03 s ILE 1736Ca 0.09 -2.47 0.06 0.00 -2.23 0.00 0.00 60.65 56.09 2h03 s ILE 1736Cb 0.14 -3.58 -0.02 0.00 -1.58 0.00 0.00 42.46 37.42 2h03 s ILE 1736CO 0.67 -0.83 -0.16 -0.76 -1.23 0.00 0.00 174.94 172.62 2h03 s LEU 1737N 0.51 2.16 0.33 2.97 1.43 -1.26 -4.69 118.68 120.13 2h03 s LEU 1737Ca 0.13 -0.46 -0.27 0.00 -1.03 0.00 0.00 54.13 52.50 2h03 s LEU 1737Cb -0.21 -0.75 -0.09 0.00 0.03 0.00 0.00 46.19 45.17 2h03 s LEU 1737CO -0.04 0.09 1.01 -2.16 0.23 0.00 0.00 176.35 175.49 2h03 s PRO 1738N -1.08 4.49 0.51 1.29 0.04 -1.26 -4.62 135.00 134.37 2h03 s PRO 1738Ca 0.04 1.51 -0.21 0.00 0.04 0.00 0.00 61.00 62.38 2h03 s PRO 1738Cb -0.08 -2.85 -0.06 0.00 0.04 0.00 0.00 34.50 31.54 2h03 s PRO 1738CO 0.01 0.16 1.17 0.71 0.04 0.00 0.00 177.00 179.09 2h03 s TYR 1739N -1.48 2.70 0.28 0.56 2.02 -1.26 -4.65 117.35 115.51 2h03 s TYR 1739Ca 0.50 1.52 -0.04 0.00 -0.37 0.00 0.00 57.07 58.69 2h03 s TYR 1739Cb -0.23 -3.39 0.37 0.00 -0.40 0.00 0.00 41.96 38.30 2h03 s TYR 1739CO 0.30 -1.72 1.95 -0.44 -1.57 0.00 0.00 175.55 174.06 2h03 h ASP 1740N 1.55 1.04 0.81 2.29 3.32 -1.42 -1.01 116.42 123.00 2h03 h ASP 1740Ca -0.50 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2h03 h ASP 1740Cb 1.26 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.56 2h03 h ASP 1740CO 0.58 0.75 0.00 0.00 -1.72 0.00 0.00 179.24 178.85 2h03 h ALA 1741N 1.44 1.00 0.00 3.45 0.00 -1.92 -3.25 119.26 119.97 2h03 h ALA 1741Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2h03 h ALA 1741Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2h03 h ALA 1741CO -0.08 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.42 2h03 n THR 1742N -2.42 0.17 -1.85 0.00 -2.24 -0.95 -5.05 114.28 101.94 2h03 n THR 1742Ca 0.02 -0.33 -0.35 0.00 -2.27 0.00 0.00 64.05 61.12 2h03 n THR 1742Cb 0.25 1.25 0.05 0.00 -2.10 0.00 0.00 70.33 69.77 2h03 n THR 1742CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h03 s ARG 1743N -0.17 2.80 -0.10 -0.78 1.70 -0.42 -0.27 118.95 121.71 2h03 s ARG 1743Ca 0.00 1.64 -0.19 0.00 -0.47 0.00 0.00 55.73 56.71 2h03 s ARG 1743Cb 0.00 -1.93 -0.04 0.00 -0.57 0.00 0.00 34.95 32.41 2h03 s ARG 1743CO 0.00 -1.30 0.51 0.08 -1.08 0.00 0.00 175.30 173.52 2h03 s VAL 1744N -1.94 5.15 -0.20 4.99 1.01 -0.65 -4.73 120.40 124.04 2h03 s VAL 1744Ca 0.73 1.03 -0.09 0.00 0.00 0.00 0.00 61.98 63.65 2h03 s VAL 1744Cb -0.26 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2h03 s VAL 1744CO 0.37 0.33 0.10 -0.54 0.00 0.00 0.00 175.10 175.36 2h03 s LYS 1745N 0.55 4.07 0.38 2.72 1.02 -1.26 -4.10 119.74 123.13 2h03 s LYS 1745Ca 0.28 -0.28 -0.18 0.00 0.02 0.00 0.00 55.97 55.81 2h03 s LYS 1745Cb -0.16 -3.34 -0.10 0.00 -0.52 0.00 0.00 37.83 33.71 2h03 s LYS 1745CO 0.12 0.25 0.85 -0.51 -0.92 0.00 0.00 175.35 175.14 2h03 s LEU 1746N 0.47 3.98 0.66 3.17 1.43 0.78 -5.03 118.68 124.13 2h03 s LEU 1746Ca 0.06 1.48 -0.16 0.00 -1.03 0.00 0.00 54.13 54.48 2h03 s LEU 1746Cb -0.12 -4.32 0.00 0.00 0.03 0.00 0.00 46.19 41.79 2h03 s LEU 1746CO -0.00 -0.30 1.17 -0.94 0.23 0.00 0.00 176.35 176.51 2h03 s SER 1747N -2.29 4.84 0.00 2.29 1.04 -1.26 -4.31 113.70 114.02 2h03 s SER 1747Ca 0.58 2.24 0.00 0.00 0.48 0.00 0.00 55.95 59.25 2h03 s SER 1747Cb -0.10 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.45 2h03 s SER 1747CO 0.16 -1.82 0.00 0.61 0.98 0.00 0.00 173.24 173.17 2h03 n GLY 1748N 0.12 -1.77 0.09 7.32 0.00 -1.26 -4.70 105.19 104.99 2h03 n GLY 1748Ca 0.12 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.35 2h03 n GLY 1748CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2h03 h GLY 1749N 0.00 0.00 -7.53 -0.02 0.00 -2.06 -3.36 103.07 90.10 2h03 h GLY 1749Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.64 2h03 h GLY 1749CO 0.00 0.00 -0.57 -0.45 0.00 0.00 0.00 176.54 175.52 2h03 s SER 1755N -6.45 5.20 0.00 0.19 0.15 -1.26 -4.98 113.70 106.55 2h03 s SER 1755Ca 0.01 -1.91 0.27 0.00 0.70 0.00 0.00 55.95 55.01 2h03 s SER 1755Cb 0.09 -1.81 1.14 0.00 -1.71 0.00 0.00 66.02 63.73 2h03 s SER 1755CO 0.79 -0.50 1.79 -0.90 1.20 0.00 0.00 173.24 175.62 2h03 n ASP 1756N 4.59 1.21 -4.72 5.45 5.68 -1.26 -4.77 116.55 122.73 2h03 n ASP 1756Ca -0.04 -1.45 -0.38 0.00 -0.50 0.00 0.00 54.79 52.42 2h03 n ASP 1756Cb 0.42 -0.02 -0.06 0.00 -1.14 0.00 0.00 41.12 40.32 2h03 n ASP 1756CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2h03 s TYR 1757N -1.96 3.54 -0.01 2.11 5.04 -1.26 -0.16 117.35 124.66 2h03 s TYR 1757Ca 0.38 1.01 -0.03 0.00 -2.44 0.00 0.00 57.07 55.99 2h03 s TYR 1757Cb 0.20 -2.62 -0.00 0.00 0.35 0.00 0.00 41.96 39.89 2h03 s TYR 1757CO 0.32 0.16 0.06 -1.50 -1.34 0.00 0.00 175.55 173.25 2h03 s ILE 1758N 0.60 0.06 -1.06 3.14 2.07 -1.26 -4.91 121.20 119.84 2h03 s ILE 1758Ca 0.29 -0.46 -0.22 0.00 -1.41 0.00 0.00 60.65 58.85 2h03 s ILE 1758Cb -0.16 -0.24 0.03 0.00 0.13 0.00 0.00 42.46 42.22 2h03 s ILE 1758CO 0.13 -0.25 1.62 0.21 -1.91 0.00 0.00 174.94 174.73 2h03 s ASN 1759N -0.79 6.23 -0.11 4.50 3.84 -1.26 -4.61 114.94 122.75 2h03 s ASN 1759Ca -0.09 -1.50 -0.28 0.00 0.21 0.00 0.00 52.86 51.20 2h03 s ASN 1759Cb -0.05 -2.57 0.07 0.00 -0.55 0.00 0.00 41.25 38.14 2h03 s ASN 1759CO 0.00 -1.76 0.66 0.00 -2.79 0.00 0.00 177.10 173.21 2h03 s ALA 1760N 6.10 -1.69 0.01 1.71 0.00 -1.26 -3.18 121.76 123.45 2h03 s ALA 1760Ca 0.53 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.96 2h03 s ALA 1760Cb -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 2h03 s ALA 1760CO -0.04 -0.35 -0.08 -1.12 0.00 0.00 0.00 175.76 174.17 2h03 s SER 1761N -0.75 0.98 0.14 0.00 0.01 0.31 -1.64 113.70 112.76 2h03 s SER 1761Ca -0.08 -0.24 -0.27 0.00 1.31 0.00 0.00 55.95 56.67 2h03 s SER 1761Cb -0.02 -0.08 -0.07 0.00 0.21 0.00 0.00 66.02 66.06 2h03 s SER 1761CO 0.07 0.04 0.86 -0.31 0.41 0.00 0.00 173.24 174.30 2h03 s TYR 1762N -0.45 3.87 -0.24 2.43 2.02 0.63 -0.90 117.35 124.71 2h03 s TYR 1762Ca 0.01 1.71 -0.05 0.00 -0.37 0.00 0.00 57.07 58.37 2h03 s TYR 1762Cb -0.05 -2.90 -0.00 0.00 -0.40 0.00 0.00 41.96 38.62 2h03 s TYR 1762CO 0.00 0.38 -0.01 0.42 -1.57 0.00 0.00 175.55 174.77 2h03 s ILE 1763N -0.66 3.54 0.63 2.71 -1.09 -0.03 -4.93 121.20 121.37 2h03 s ILE 1763Ca 0.40 -0.56 -0.15 0.00 -2.23 0.00 0.00 60.65 58.11 2h03 s ILE 1763Cb -0.23 -2.68 -0.02 0.00 -1.58 0.00 0.00 42.46 37.94 2h03 s ILE 1763CO 0.28 0.32 1.08 -2.16 -1.23 0.00 0.00 174.94 173.22 2h03 s PRO 1764N 1.48 3.08 0.70 2.79 0.04 -1.26 -0.94 135.00 140.89 2h03 s PRO 1764Ca 0.04 1.25 -0.03 0.00 0.04 0.00 0.00 61.00 62.30 2h03 s PRO 1764Cb -0.15 -2.00 0.10 0.00 0.04 0.00 0.00 34.50 32.49 2h03 s PRO 1764CO -0.01 -1.01 0.98 0.20 0.04 0.00 0.00 177.00 177.20 2h03 s GLY 1765N -2.80 1.76 0.52 0.56 0.00 0.12 -4.63 107.32 102.85 2h03 s GLY 1765Ca 0.64 -1.38 0.30 0.00 0.00 0.00 0.00 44.72 44.29 2h03 s GLY 1765CO 0.40 -0.90 1.97 3.43 0.00 0.00 0.00 173.10 178.01 2h03 h ASN 1766N -0.52 0.00 0.00 1.64 2.35 -1.98 -3.31 115.58 113.76 2h03 h ASN 1766Ca -0.41 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2h03 h ASN 1766Cb 1.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.65 2h03 h ASN 1766CO 0.48 0.10 -1.27 0.59 -1.65 0.00 0.00 177.43 175.68 2h03 n ASN 1767N -3.29 3.65 -3.49 5.81 3.02 -1.26 -5.07 115.26 114.62 2h03 n ASN 1767Ca -0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 2h03 n ASN 1767Cb 0.32 1.26 -0.03 0.00 -0.61 0.00 0.00 39.78 40.72 2h03 n ASN 1767CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2h03 s PHE 1768N -2.41 -0.41 0.98 3.10 5.36 -1.25 -5.17 117.98 118.19 2h03 s PHE 1768Ca -0.02 0.34 -0.12 0.00 -0.96 0.00 0.00 56.93 56.18 2h03 s PHE 1768Cb 0.04 0.53 0.18 0.00 -0.34 0.00 0.00 43.02 43.42 2h03 s PHE 1768CO 0.25 -0.60 1.08 -0.98 -1.46 0.00 0.00 175.22 173.51 2h03 s ARG 1769N -2.93 0.52 -1.31 10.12 1.70 -1.26 -0.70 118.95 125.08 2h03 s ARG 1769Ca 0.02 0.93 -0.04 0.00 -0.47 0.00 0.00 55.73 56.17 2h03 s ARG 1769Cb -0.01 -1.71 0.02 0.00 -0.57 0.00 0.00 34.95 32.67 2h03 s ARG 1769CO -0.08 -2.78 0.96 0.54 -1.08 0.00 0.00 175.30 172.87 2h03 n ARG 1770N -4.27 -6.34 -0.16 3.89 1.74 -1.23 -4.53 116.66 105.76 2h03 n ARG 1770Ca 0.07 0.75 -0.10 0.00 -0.77 0.00 0.00 57.85 57.79 2h03 n ARG 1770Cb 0.55 -5.64 0.02 0.00 -1.02 0.00 0.00 32.46 26.37 2h03 n ARG 1770CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2h03 h GLU 1771N -2.11 0.99 -5.39 5.56 4.81 -1.22 -3.34 114.58 113.87 2h03 h GLU 1771Ca -0.59 -0.39 -0.41 0.00 -0.13 0.00 0.00 59.36 57.84 2h03 h GLU 1771Cb 1.36 -0.05 -0.17 0.00 0.63 0.00 0.00 28.75 30.52 2h03 h GLU 1771CO 0.56 1.07 -0.75 0.71 -0.73 0.00 0.00 179.01 179.87 2h03 s TYR 1772N -4.74 1.44 -0.15 0.92 1.51 -0.99 -1.47 117.35 113.88 2h03 s TYR 1772Ca -0.11 -0.60 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 2h03 s TYR 1772Cb 0.13 -0.73 -0.00 0.00 -0.11 0.00 0.00 41.96 41.24 2h03 s TYR 1772CO 0.86 0.17 -0.15 0.42 -1.11 0.00 0.00 175.55 175.74 2h03 s ILE 1773N -2.51 2.67 -0.12 2.71 1.01 -0.34 -0.85 121.20 123.77 2h03 s ILE 1773Ca 0.13 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 2h03 s ILE 1773Cb -0.03 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 2h03 s ILE 1773CO 0.03 0.52 0.04 -0.69 0.00 0.00 0.00 174.94 174.84 2h03 s VAL 1774N 0.75 4.63 0.21 2.92 1.01 -0.08 -0.97 120.40 128.88 2h03 s VAL 1774Ca -0.06 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 2h03 s VAL 1774Cb -0.15 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 2h03 s VAL 1774CO 0.01 0.56 0.35 0.28 0.00 0.00 0.00 175.10 176.30 2h03 s THR 1775N -0.47 0.02 0.70 3.92 -1.32 -0.95 -0.53 115.64 117.02 2h03 s THR 1775Ca 0.09 -1.47 -0.10 0.00 -1.21 0.00 0.00 61.69 59.00 2h03 s THR 1775Cb -0.12 -2.10 0.03 0.00 -1.51 0.00 0.00 72.50 68.80 2h03 s THR 1775CO 0.02 -0.11 1.07 0.00 -2.21 0.00 0.00 174.62 173.39 2h03 s GLN 1776N -4.02 2.68 0.10 7.08 -2.07 -1.19 -3.65 119.66 118.59 2h03 s GLN 1776Ca 0.23 0.27 -0.31 0.00 -1.82 0.00 0.00 55.36 53.73 2h03 s GLN 1776Cb 0.02 -2.06 -0.09 0.00 -1.09 0.00 0.00 33.01 29.78 2h03 s GLN 1776CO 0.06 -1.08 1.72 0.20 -1.32 0.00 0.00 175.29 174.87 2h03 s GLY 1777N -4.40 1.46 0.56 2.60 0.00 0.03 -4.81 107.32 102.75 2h03 s GLY 1777Ca 0.58 1.33 -0.20 0.00 0.00 0.00 0.00 44.72 46.43 2h03 s GLY 1777CO 0.50 2.97 1.07 -1.05 0.00 0.00 0.00 173.10 176.59 2h03 n PRO 1778N 5.46 1.17 -3.27 2.90 -0.02 -1.26 -4.66 135.00 135.32 2h03 n PRO 1778Ca 0.16 0.44 -0.21 0.00 -2.02 0.00 0.00 63.50 61.87 2h03 n PRO 1778Cb 0.39 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2h03 n PRO 1778CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2h03 s LEU 1779N -2.09 3.84 0.31 2.45 1.43 -1.26 -1.55 118.68 121.82 2h03 s LEU 1779Ca 0.72 0.07 0.09 0.00 -1.03 0.00 0.00 54.13 53.98 2h03 s LEU 1779Cb -0.44 -2.97 0.87 0.00 0.03 0.00 0.00 46.19 43.68 2h03 s LEU 1779CO 0.49 -0.53 1.71 -0.65 0.23 0.00 0.00 176.35 177.60 2h03 h PRO 1780N 0.67 0.48 -0.07 1.29 0.11 -1.97 -0.03 132.00 132.49 2h03 h PRO 1780Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2h03 h PRO 1780Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2h03 h PRO 1780CO 0.56 0.32 0.00 0.41 -0.21 0.00 0.00 178.00 179.08 2h03 n GLY 1781N -1.32 -0.29 0.00 -0.55 0.00 -1.26 -3.73 105.19 98.04 2h03 n GLY 1781Ca 0.26 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2h03 n GLY 1781CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2h03 n THR 1782N -0.18 0.24 -0.18 2.61 -2.24 -0.09 -4.79 114.28 109.65 2h03 n THR 1782Ca 0.17 -0.46 -0.01 0.00 -2.27 0.00 0.00 64.05 61.47 2h03 n THR 1782Cb 0.23 1.08 0.08 0.00 -2.10 0.00 0.00 70.33 69.63 2h03 n THR 1782CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2h03 h LYS 1783N 0.00 0.32 -0.71 -0.78 1.57 -1.45 -0.13 116.57 115.38 2h03 h LYS 1783Ca 0.00 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2h03 h LYS 1783Cb 0.33 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 2h03 h LYS 1783CO 0.00 0.21 0.21 -0.44 -0.57 0.00 0.00 179.45 178.86 2h03 h ASP 1784N 0.33 1.05 -0.72 0.86 3.32 -1.86 -2.32 116.42 117.07 2h03 h ASP 1784Ca 0.27 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 2h03 h ASP 1784Cb 0.34 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 2h03 h ASP 1784CO -0.30 0.98 0.33 0.44 -1.72 0.00 0.00 179.24 178.97 2h03 h ASP 1785N 1.07 0.97 -0.35 6.45 3.32 -1.76 0.69 116.42 126.81 2h03 h ASP 1785Ca 0.23 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2h03 h ASP 1785Cb 0.32 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2h03 h ASP 1785CO -0.00 0.83 0.15 0.15 -1.72 0.00 0.00 179.24 178.65 2h03 h PHE 1786N 1.05 0.52 0.00 4.55 3.57 -0.57 -0.22 116.94 125.84 2h03 h PHE 1786Ca 0.25 -0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.57 2h03 h PHE 1786Cb 0.14 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2h03 h PHE 1786CO 0.01 0.47 -0.68 -1.49 -2.23 0.00 0.00 178.31 174.40 2h03 h TRP 1787N 0.42 0.00 -0.55 0.41 4.06 -1.08 -1.13 115.95 118.08 2h03 h TRP 1787Ca 0.12 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.02 2h03 h TRP 1787Cb 0.16 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.30 2h03 h TRP 1787CO -0.01 0.68 0.16 -0.22 -3.56 0.00 0.00 178.44 175.49 2h03 h LYS 1788N 0.00 0.86 -0.25 0.49 3.64 -0.61 -0.53 116.57 120.16 2h03 h LYS 1788Ca -0.01 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 2h03 h LYS 1788Cb 1.33 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 2h03 h LYS 1788CO 0.09 0.79 0.12 1.98 -2.27 0.00 0.00 179.45 180.16 2h03 h MET 1789N 0.77 0.37 -0.64 1.90 4.05 -0.69 -0.17 114.93 120.52 2h03 h MET 1789Ca 0.18 -0.05 0.13 0.00 -0.28 0.00 0.00 59.70 59.67 2h03 h MET 1789Cb 0.30 -0.07 -0.09 0.00 -0.80 0.00 0.00 31.60 30.94 2h03 h MET 1789CO -0.00 0.37 0.12 0.28 0.23 0.00 0.00 176.91 177.91 2h03 h VAL 1790N 0.28 0.59 -0.00 -5.77 2.07 -0.91 -0.19 116.25 112.30 2h03 h VAL 1790Ca 0.09 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2h03 h VAL 1790Cb 0.12 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2h03 h VAL 1790CO -0.01 0.04 -0.01 -0.25 0.02 0.00 0.00 177.57 177.36 2h03 h TRP 1791N 0.24 0.02 -0.13 1.57 2.91 -0.80 -1.48 115.95 118.29 2h03 h TRP 1791Ca 0.34 -0.01 -0.07 0.00 1.13 0.00 0.00 58.89 60.28 2h03 h TRP 1791Cb 0.53 -0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.17 2h03 h TRP 1791CO -0.27 0.58 -0.25 0.93 -1.03 0.00 0.00 178.44 178.40 2h03 h GLU 1792N -0.55 0.23 -0.45 2.65 5.08 -0.88 -2.44 114.58 118.21 2h03 h GLU 1792Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2h03 h GLU 1792Cb 0.58 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2h03 h GLU 1792CO 0.00 0.47 0.00 1.04 -1.00 0.00 0.00 179.01 179.52 2h03 n GLN 1793N -4.17 2.14 -2.02 2.33 1.13 -0.10 -4.95 117.38 111.75 2h03 n GLN 1793Ca -0.01 -1.77 -0.16 0.00 -1.94 0.00 0.00 57.00 53.13 2h03 n GLN 1793Cb 0.36 -1.40 -0.03 0.00 0.11 0.00 0.00 30.24 29.27 2h03 n GLN 1793CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2h03 n ASN 1794N 0.94 -4.77 -4.74 1.08 3.02 -0.92 -4.21 115.26 105.66 2h03 n ASN 1794Ca 0.17 0.12 -0.41 0.00 -0.03 0.00 0.00 54.58 54.43 2h03 n ASN 1794Cb 0.43 -3.81 -0.03 0.00 -0.61 0.00 0.00 39.78 35.75 2h03 n ASN 1794CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2h03 s VAL 1795N -2.72 3.37 -0.03 2.41 1.01 -0.58 -2.22 120.40 121.65 2h03 s VAL 1795Ca 0.00 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.17 2h03 s VAL 1795Cb 0.00 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2h03 s VAL 1795CO 0.00 0.20 0.05 1.41 0.00 0.00 0.00 175.10 176.76 2h03 n HIS 1796N 2.32 0.00 -4.31 5.22 8.25 -1.26 -4.84 115.22 120.60 2h03 n HIS 1796Ca 0.04 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.30 2h03 n HIS 1796Cb 0.44 -0.03 -0.16 0.00 1.12 0.00 0.00 29.99 31.36 2h03 n HIS 1796CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2h03 s ASN 1797N -1.90 1.12 -0.07 0.41 -0.87 -1.26 -0.82 114.94 111.55 2h03 s ASN 1797Ca -0.00 -0.17 0.04 0.00 -1.57 0.00 0.00 52.86 51.16 2h03 s ASN 1797Cb 0.01 -0.44 -0.00 0.00 -0.02 0.00 0.00 41.25 40.80 2h03 s ASN 1797CO 0.08 0.01 -0.22 -0.63 -2.57 0.00 0.00 177.10 173.77 2h03 s ILE 1798N 0.56 1.83 -0.17 0.60 1.01 -0.17 -1.89 121.20 122.97 2h03 s ILE 1798Ca -0.08 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 2h03 s ILE 1798Cb -0.12 -1.58 -0.00 0.00 0.01 0.00 0.00 42.46 40.77 2h03 s ILE 1798CO 0.01 0.51 -0.12 -0.69 0.00 0.00 0.00 174.94 174.65 2h03 s VAL 1799N 0.17 2.85 -0.18 2.92 1.01 0.94 0.17 120.40 128.28 2h03 s VAL 1799Ca -0.11 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2h03 s VAL 1799Cb -0.15 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.01 2h03 s VAL 1799CO 0.06 0.49 -0.17 -0.32 0.00 0.00 0.00 175.10 175.16 2h03 s MET 1800N 0.99 3.10 -0.26 2.72 0.00 0.18 -0.94 119.30 125.08 2h03 s MET 1800Ca -0.02 -0.79 0.09 0.00 0.00 0.00 0.00 55.69 54.98 2h03 s MET 1800Cb -0.15 -2.64 0.44 0.00 0.00 0.00 0.00 34.83 32.49 2h03 s MET 1800CO -0.02 -0.14 1.21 1.33 0.00 0.00 0.00 175.02 177.40 2h03 n VAL 1801N 4.48 2.39 -4.16 10.11 0.24 -0.23 -0.97 118.33 130.19 2h03 n VAL 1801Ca -0.20 -3.75 -0.13 0.00 -2.04 0.00 0.00 64.34 58.22 2h03 n VAL 1801Cb 0.51 -0.72 -0.11 0.00 -1.47 0.00 0.00 33.84 32.05 2h03 n VAL 1801CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2h03 s THR 1802N -3.96 0.81 0.58 3.34 -1.32 -1.26 -4.82 115.64 109.01 2h03 s THR 1802Ca 0.45 -1.70 -0.13 0.00 -1.21 0.00 0.00 61.69 59.10 2h03 s THR 1802Cb 0.39 -1.41 -0.05 0.00 -1.51 0.00 0.00 72.50 69.92 2h03 s THR 1802CO -0.01 -0.66 1.02 -1.10 -2.21 0.00 0.00 174.62 171.65 2h03 s GLN 1803N -3.07 3.66 0.21 7.08 -1.52 -1.26 -4.85 119.66 119.91 2h03 s GLN 1803Ca 0.06 0.88 -0.05 0.00 -1.95 0.00 0.00 55.36 54.30 2h03 s GLN 1803Cb -0.01 -2.09 0.16 0.00 -0.22 0.00 0.00 33.01 30.86 2h03 s GLN 1803CO -0.02 -0.52 1.62 0.00 -0.25 0.00 0.00 175.29 176.12 2h03 s VAL 1805N -4.59 1.30 -0.01 0.00 1.01 -1.26 0.41 120.40 117.26 2h03 s VAL 1805Ca -0.09 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2h03 s VAL 1805Cb 0.13 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.34 2h03 s VAL 1805CO 0.84 0.39 -0.02 -1.61 0.00 0.00 0.00 175.10 174.71 2h03 s GLU 1806N 0.66 0.21 -1.64 2.72 2.02 -0.36 -4.83 118.70 117.48 2h03 s GLU 1806Ca -0.14 -0.04 -0.08 0.00 0.02 0.00 0.00 54.97 54.73 2h03 s GLU 1806Cb -0.16 -0.25 0.07 0.00 0.10 0.00 0.00 34.13 33.89 2h03 s GLU 1806CO 0.04 0.00 0.24 1.63 0.02 0.00 0.00 175.26 177.19 2h03 n LYS 1807N 3.32 -1.17 -0.87 1.61 5.02 -1.26 -0.71 118.16 124.10 2h03 n LYS 1807Ca -0.16 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2h03 n LYS 1807Cb 0.57 -4.05 0.00 0.00 -0.02 0.00 0.00 35.03 31.53 2h03 n LYS 1807CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2h03 n GLY 1808N -2.06 0.46 3.64 0.72 0.00 -1.26 -5.01 105.19 101.68 2h03 n GLY 1808Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 2h03 n GLY 1808CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h03 s ARG 1809N -0.60 2.81 -0.04 1.61 1.81 0.11 -5.09 118.95 119.57 2h03 s ARG 1809Ca 0.00 -0.53 -0.30 0.00 -1.72 0.00 0.00 55.73 53.18 2h03 s ARG 1809Cb 0.00 -2.66 -0.05 0.00 -0.45 0.00 0.00 34.95 31.79 2h03 s ARG 1809CO 0.00 0.66 1.39 0.54 -0.68 0.00 0.00 175.30 177.21 2h03 s VAL 1810N -0.91 3.85 -0.04 3.52 0.11 -1.26 -1.22 120.40 124.45 2h03 s VAL 1810Ca 0.15 1.17 0.11 0.00 -2.93 0.00 0.00 61.98 60.48 2h03 s VAL 1810Cb -0.11 -3.75 -0.17 0.00 -1.53 0.00 0.00 36.38 30.81 2h03 s VAL 1810CO 0.04 -0.03 0.26 0.29 -3.33 0.00 0.00 175.10 172.33 2h03 n LYS 1811N 5.76 0.48 -3.64 1.54 4.76 0.17 -4.96 118.16 122.27 2h03 n LYS 1811Ca 0.13 -0.10 -0.07 0.00 -2.87 0.00 0.00 58.31 55.40 2h03 n LYS 1811Cb 0.44 -1.26 -0.07 0.00 -1.84 0.00 0.00 35.03 32.31 2h03 n LYS 1811CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2h03 s ASP 1813N 1.09 6.08 -0.85 0.00 1.01 -0.60 -4.53 116.67 118.88 2h03 s ASP 1813Ca -0.06 1.24 -0.20 0.00 0.71 0.00 0.00 52.55 54.25 2h03 s ASP 1813Cb -0.05 -2.30 0.11 0.00 1.01 0.00 0.00 42.92 41.69 2h03 s ASP 1813CO -0.12 -0.90 1.08 -2.28 0.21 0.00 0.00 175.17 173.16 2h03 s HIS 1814N -3.11 2.97 -2.18 4.23 5.65 -1.26 -4.76 115.29 116.83 2h03 s HIS 1814Ca 0.54 -1.13 0.20 0.00 0.25 0.00 0.00 55.06 54.92 2h03 s HIS 1814Cb -0.11 -4.29 0.53 0.00 -1.18 0.00 0.00 32.58 27.53 2h03 s HIS 1814CO 0.51 -1.54 1.44 2.48 -0.65 0.00 0.00 174.74 176.99 2h03 n TYR 1815N 6.94 0.62 -4.53 3.88 0.18 -1.26 -4.86 117.16 118.13 2h03 n TYR 1815Ca 0.16 -0.31 -0.25 0.00 1.88 0.00 0.00 57.90 59.37 2h03 n TYR 1815Cb 0.48 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.33 2h03 n TYR 1815CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2h03 s TRP 1816N -1.38 2.31 0.56 -3.48 -2.14 -1.26 -5.05 118.94 108.50 2h03 s TRP 1816Ca 0.38 -0.60 -0.21 0.00 2.66 0.00 0.00 56.10 58.33 2h03 s TRP 1816Cb 0.21 -1.41 -0.05 0.00 -3.10 0.00 0.00 33.47 29.12 2h03 s TRP 1816CO 0.28 0.46 1.27 -2.30 -2.66 0.00 0.00 176.95 174.00 2h03 n PRO 1817N -0.78 1.49 0.09 3.25 -0.02 -1.26 -4.90 135.00 132.87 2h03 n PRO 1817Ca -0.05 0.55 -0.02 0.00 -2.02 0.00 0.00 63.50 61.97 2h03 n PRO 1817Cb 0.64 -2.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 2h03 n PRO 1817CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2h03 h ALA 1818N 1.21 0.57 -3.00 3.55 0.00 -1.93 -3.48 119.26 116.17 2h03 h ALA 1818Ca -0.50 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 53.69 2h03 h ALA 1818Cb 1.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2h03 h ALA 1818CO 0.56 0.93 0.00 -0.40 0.00 0.00 0.00 179.25 180.34 2h03 n ASP 1819N -3.21 0.26 -0.96 0.00 3.85 -1.26 -5.04 116.55 110.17 2h03 n ASP 1819Ca -0.01 0.00 0.11 0.00 -0.71 0.00 0.00 54.79 54.18 2h03 n ASP 1819Cb 0.84 0.00 0.26 0.00 -1.35 0.00 0.00 41.12 40.87 2h03 n ASP 1819CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2h03 n GLN 1820N 0.00 2.26 -2.86 0.11 6.02 -1.26 -4.54 117.38 117.11 2h03 n GLN 1820Ca 0.00 -1.90 -0.38 0.00 -0.01 0.00 0.00 57.00 54.71 2h03 n GLN 1820Cb 0.00 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.73 2h03 n GLN 1820CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2h03 s ASP 1821N -1.51 7.42 0.50 1.08 1.01 -1.26 -4.69 116.67 119.22 2h03 s ASP 1821Ca 0.36 1.78 -0.23 0.00 0.71 0.00 0.00 52.55 55.17 2h03 s ASP 1821Cb 0.21 -2.55 -0.07 0.00 1.01 0.00 0.00 42.92 41.52 2h03 s ASP 1821CO 0.30 0.08 1.27 -1.20 0.21 0.00 0.00 175.17 175.83 2h03 n SER 1822N 1.12 2.38 -4.08 0.27 7.64 -1.26 -4.72 113.62 114.97 2h03 n SER 1822Ca -0.02 1.02 -0.18 0.00 1.01 0.00 0.00 58.87 60.70 2h03 n SER 1822Cb 0.49 -1.52 -0.13 0.00 -1.01 0.00 0.00 64.21 62.04 2h03 n SER 1822CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2h03 s LEU 1823N -2.43 2.13 0.21 -3.43 1.43 -0.43 -4.97 118.68 111.20 2h03 s LEU 1823Ca 0.67 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 53.10 2h03 s LEU 1823Cb -0.46 -0.46 -0.08 0.00 0.03 0.00 0.00 46.19 45.22 2h03 s LEU 1823CO 0.53 0.01 0.97 -0.31 0.23 0.00 0.00 176.35 177.79 2h03 s TYR 1824N -0.72 3.88 -0.36 0.29 1.51 -1.26 -0.63 117.35 120.05 2h03 s TYR 1824Ca -0.00 1.85 0.02 0.00 -1.01 0.00 0.00 57.07 57.93 2h03 s TYR 1824Cb -0.07 -3.05 0.11 0.00 -0.11 0.00 0.00 41.96 38.84 2h03 s TYR 1824CO 0.01 0.22 0.11 0.71 -1.11 0.00 0.00 175.55 175.48 2h03 s TYR 1825N -0.85 2.90 0.00 2.71 2.02 0.75 -4.97 117.35 119.91 2h03 s TYR 1825Ca 0.43 -2.59 0.00 0.00 -0.37 0.00 0.00 57.07 54.54 2h03 s TYR 1825Cb -0.26 -2.45 0.00 0.00 -0.40 0.00 0.00 41.96 38.85 2h03 s TYR 1825CO 0.33 -0.89 0.00 0.41 -1.57 0.00 0.00 175.55 173.83 2h03 n GLY 1826N 4.22 3.32 1.20 0.71 0.00 -1.26 -2.26 105.19 111.11 2h03 n GLY 1826Ca 0.03 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.02 2h03 n GLY 1826CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2h03 n ASP 1827N 7.68 3.50 -4.51 1.61 8.00 -1.26 -4.92 116.55 126.65 2h03 n ASP 1827Ca 0.00 -2.06 -0.30 0.00 0.71 0.00 0.00 54.79 53.14 2h03 n ASP 1827Cb 0.00 -0.44 -0.11 0.00 -0.02 0.00 0.00 41.12 40.55 2h03 n ASP 1827CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2h03 s LEU 1828N -1.10 2.80 -0.13 0.64 1.43 -0.96 -1.33 118.68 120.03 2h03 s LEU 1828Ca 0.42 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2h03 s LEU 1828Cb 0.23 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 2h03 s LEU 1828CO 0.27 0.22 -0.05 -0.63 0.23 0.00 0.00 176.35 176.40 2h03 s ILE 1829N -1.06 3.81 -0.08 -0.59 1.01 0.04 -0.18 121.20 124.16 2h03 s ILE 1829Ca 0.17 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.46 2h03 s ILE 1829Cb -0.11 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.73 2h03 s ILE 1829CO 0.09 0.52 -0.18 -0.76 0.00 0.00 0.00 174.94 174.61 2h03 s LEU 1830N 0.05 1.89 -0.04 2.97 2.01 0.19 -1.33 118.68 124.41 2h03 s LEU 1830Ca -0.00 -0.43 0.02 0.00 0.01 0.00 0.00 54.13 53.73 2h03 s LEU 1830Cb -0.14 -1.12 0.01 0.00 0.01 0.00 0.00 46.19 44.96 2h03 s LEU 1830CO 0.03 0.11 -0.10 -1.58 1.01 0.00 0.00 176.35 175.82 2h03 s GLN 1831N 0.42 1.27 0.05 1.70 0.74 -0.71 -1.31 119.66 121.80 2h03 s GLN 1831Ca -0.15 -0.33 -0.30 0.00 0.05 0.00 0.00 55.36 54.63 2h03 s GLN 1831Cb -0.16 -1.12 -0.04 0.00 1.10 0.00 0.00 33.01 32.78 2h03 s GLN 1831CO 0.06 0.06 1.02 1.41 -0.55 0.00 0.00 175.29 177.29 2h03 s MET 1832N 0.48 4.57 -0.19 1.67 -2.45 -1.26 -0.74 119.30 121.38 2h03 s MET 1832Ca -0.09 1.51 0.12 0.00 -1.25 0.00 0.00 55.69 55.99 2h03 s MET 1832Cb -0.13 -3.41 -0.20 0.00 1.25 0.00 0.00 34.83 32.34 2h03 s MET 1832CO 0.02 -0.03 -0.01 1.28 1.05 0.00 0.00 175.02 177.34 2h03 n LEU 1833N 3.58 0.75 -3.58 4.11 4.77 0.15 -4.84 117.00 121.94 2h03 n LEU 1833Ca 0.06 -0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 2h03 n LEU 1833Cb 0.49 0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.65 2h03 n LEU 1833CO 0.53 0.56 0.29 -0.94 -1.33 0.00 0.00 177.39 176.50 2h03 s SER 1834N -5.48 -0.47 -0.11 -1.43 1.04 -1.10 -4.96 113.70 101.20 2h03 s SER 1834Ca -0.15 0.30 -0.03 0.00 0.48 0.00 0.00 55.95 56.55 2h03 s SER 1834Cb 0.06 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.72 2h03 s SER 1834CO 0.69 -0.66 0.11 -0.70 0.98 0.00 0.00 173.24 173.66 2h03 s GLU 1835N -2.02 0.02 -0.31 4.02 2.12 -1.26 -1.63 118.70 119.64 2h03 s GLU 1835Ca -0.08 0.28 0.01 0.00 0.36 0.00 0.00 54.97 55.54 2h03 s GLU 1835Cb -0.01 -0.90 0.08 0.00 0.26 0.00 0.00 34.13 33.55 2h03 s GLU 1835CO 0.02 -0.46 0.00 -1.12 -0.54 0.00 0.00 175.26 173.16 2h03 s SER 1836N 2.21 4.76 -0.21 -1.70 0.01 0.04 -4.99 113.70 113.82 2h03 s SER 1836Ca 0.04 -1.67 -0.23 0.00 1.31 0.00 0.00 55.95 55.40 2h03 s SER 1836Cb -0.14 -1.65 -0.02 0.00 0.21 0.00 0.00 66.02 64.43 2h03 s SER 1836CO -0.06 -0.31 0.73 -0.69 0.41 0.00 0.00 173.24 173.32 2h03 s VAL 1837N 1.08 4.93 0.45 3.43 1.01 -1.26 -0.94 120.40 129.10 2h03 s VAL 1837Ca -0.00 1.39 0.07 0.00 0.00 0.00 0.00 61.98 63.44 2h03 s VAL 1837Cb -0.20 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 2h03 s VAL 1837CO -0.05 0.03 0.26 -0.76 0.00 0.00 0.00 175.10 174.58 2h03 s LEU 1838N 2.32 3.04 0.26 3.92 1.43 -0.10 -5.01 118.68 124.54 2h03 s LEU 1838Ca 0.32 -1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 52.33 2h03 s LEU 1838Cb -0.16 -1.47 0.54 0.00 0.03 0.00 0.00 46.19 45.13 2h03 s LEU 1838CO 0.10 -0.70 1.74 -0.65 0.23 0.00 0.00 176.35 177.07 2h03 h PRO 1839N 1.20 0.52 0.00 1.29 0.11 -2.02 -3.27 132.00 129.82 2h03 h PRO 1839Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2h03 h PRO 1839Cb 1.27 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2h03 h PRO 1839CO 0.65 0.34 0.00 0.39 -0.21 0.00 0.00 178.00 179.17 2h03 n GLU 1840N -4.94 0.12 -3.79 1.05 1.02 -1.26 -5.02 120.64 107.83 2h03 n GLU 1840Ca 0.17 -0.28 -0.10 0.00 -0.02 0.00 0.00 57.16 56.93 2h03 n GLU 1840Cb 0.46 -0.76 -0.05 0.00 -0.02 0.00 0.00 31.44 31.06 2h03 n GLU 1840CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 2h03 s TRP 1841N -0.10 0.04 -0.05 -0.32 -2.14 -1.23 -1.49 118.94 113.65 2h03 s TRP 1841Ca 0.00 -0.39 0.05 0.00 2.66 0.00 0.00 56.10 58.42 2h03 s TRP 1841Cb 0.00 0.18 -0.01 0.00 -3.10 0.00 0.00 33.47 30.54 2h03 s TRP 1841CO 0.00 -0.77 -0.19 0.99 -2.66 0.00 0.00 176.95 174.32 2h03 s THR 1842N -3.88 1.59 -0.18 0.66 2.01 0.25 -0.92 115.64 115.17 2h03 s THR 1842Ca 0.09 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 2h03 s THR 1842Cb 0.02 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.14 2h03 s THR 1842CO -0.05 0.45 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.66 2h03 s ILE 1843N -0.02 3.63 0.11 1.82 1.01 -0.11 -0.92 121.20 126.71 2h03 s ILE 1843Ca -0.04 -0.43 0.09 0.00 0.00 0.00 0.00 60.65 60.27 2h03 s ILE 1843Cb -0.12 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 2h03 s ILE 1843CO 0.03 0.46 -0.22 -0.13 0.00 0.00 0.00 174.94 175.08 2h03 s ARG 1844N 0.80 1.69 -0.05 2.79 0.52 -0.10 -0.78 118.95 123.82 2h03 s ARG 1844Ca -0.02 -1.21 0.05 0.00 -0.52 0.00 0.00 55.73 54.04 2h03 s ARG 1844Cb -0.15 -2.04 -0.01 0.00 0.52 0.00 0.00 34.95 33.28 2h03 s ARG 1844CO 0.02 0.48 -0.21 -2.00 0.02 0.00 0.00 175.30 173.60 2h03 s GLU 1845N -1.96 2.20 0.18 3.54 2.12 -0.64 -0.55 118.70 123.59 2h03 s GLU 1845Ca 0.16 -0.77 0.10 0.00 0.36 0.00 0.00 54.97 54.82 2h03 s GLU 1845Cb -0.10 -1.88 -0.04 0.00 0.26 0.00 0.00 34.13 32.37 2h03 s GLU 1845CO 0.07 0.31 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.84 2h03 s PHE 1846N -0.06 2.01 -0.09 5.30 0.40 -0.02 0.30 117.98 125.82 2h03 s PHE 1846Ca -0.04 -0.42 -0.00 0.00 -0.60 0.00 0.00 56.93 55.86 2h03 s PHE 1846Cb -0.13 -0.99 -0.03 0.00 0.51 0.00 0.00 43.02 42.38 2h03 s PHE 1846CO 0.03 0.41 -0.05 0.21 0.70 0.00 0.00 175.22 176.52 2h03 s LYS 1847N -2.77 2.96 -0.03 0.44 2.20 0.09 -0.90 119.74 121.72 2h03 s LYS 1847Ca 0.18 -0.52 0.05 0.00 -0.36 0.00 0.00 55.97 55.32 2h03 s LYS 1847Cb -0.07 -2.68 -0.01 0.00 -1.51 0.00 0.00 37.83 33.56 2h03 s LYS 1847CO 0.08 0.59 -0.18 -1.50 -0.36 0.00 0.00 175.35 173.99 2h03 s ILE 1848N -0.61 1.44 -0.03 5.43 2.07 -0.13 -1.74 121.20 127.62 2h03 s ILE 1848Ca 0.09 -0.75 0.05 0.00 -1.41 0.00 0.00 60.65 58.64 2h03 s ILE 1848Cb -0.12 -1.22 -0.01 0.00 0.13 0.00 0.00 42.46 41.25 2h03 s ILE 1848CO 0.02 0.41 -0.18 0.00 -1.91 0.00 0.00 174.94 173.28 2h03 s GLY 1850N -0.21 2.53 0.64 0.00 0.00 -1.26 -0.78 107.32 108.24 2h03 s GLY 1850Ca 0.02 0.99 0.39 0.00 0.00 0.00 0.00 44.72 46.12 2h03 s GLY 1850CO 0.01 1.97 2.33 1.05 0.00 0.00 0.00 173.10 178.46 2h03 h GLU 1851N 5.60 0.00 -0.01 2.90 4.11 -1.56 -1.54 114.58 124.08 2h03 h GLU 1851Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2h03 h GLU 1851Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2h03 h GLU 1851CO 0.77 0.00 -0.14 0.39 0.07 0.00 0.00 179.01 180.10 2h03 n GLU 1852N -3.36 1.14 -2.82 1.06 1.02 -1.26 -4.54 120.64 111.87 2h03 n GLU 1852Ca -0.03 -0.63 -0.06 0.00 -0.02 0.00 0.00 57.16 56.41 2h03 n GLU 1852Cb 0.08 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 2h03 n GLU 1852CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2h03 n GLN 1853N -0.38 0.51 0.22 3.49 7.27 -0.58 -5.01 117.38 122.91 2h03 n GLN 1853Ca 0.15 -2.15 0.11 0.00 0.07 0.00 0.00 57.00 55.19 2h03 n GLN 1853Cb 0.34 -1.49 0.43 0.00 2.41 0.00 0.00 30.24 31.93 2h03 n GLN 1853CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2h03 h LEU 1854N 5.02 0.00 -1.40 1.69 3.38 -1.80 -2.54 115.31 119.67 2h03 h LEU 1854Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2h03 h LEU 1854Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2h03 h LEU 1854CO 0.06 0.19 -0.30 0.44 0.09 0.00 0.00 178.44 178.92 2h03 h ASP 1855N 0.00 0.00 -1.86 -0.43 3.45 -1.95 -3.37 116.42 112.26 2h03 h ASP 1855Ca -0.00 0.00 -0.78 0.00 0.43 0.00 0.00 57.03 56.68 2h03 h ASP 1855Cb 0.79 0.00 -0.20 0.00 -0.56 0.00 0.00 39.33 39.36 2h03 h ASP 1855CO 0.02 0.30 1.64 0.00 -1.57 0.00 0.00 179.24 179.63 2h03 n ALA 1856N -2.42 5.88 -1.95 3.45 0.00 -0.95 -4.99 120.51 119.52 2h03 n ALA 1856Ca -0.02 -4.43 -0.24 0.00 0.00 0.00 0.00 53.44 48.75 2h03 n ALA 1856Cb 0.36 -2.61 0.06 0.00 0.00 0.00 0.00 19.45 17.26 2h03 n ALA 1856CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2h03 s HIS 1857N -1.79 2.90 0.02 0.00 -3.43 -1.26 -4.55 115.29 107.18 2h03 s HIS 1857Ca 0.41 0.28 0.02 0.00 -0.80 0.00 0.00 55.06 54.97 2h03 s HIS 1857Cb 0.13 -3.03 -0.01 0.00 -1.43 0.00 0.00 32.58 28.23 2h03 s HIS 1857CO -0.03 -1.21 -0.06 1.03 -2.00 0.00 0.00 174.74 172.47 2h03 s ARG 1858N -5.07 0.43 -0.14 -0.38 0.52 -0.30 -4.97 118.95 109.04 2h03 s ARG 1858Ca 0.59 -0.49 -0.11 0.00 -0.52 0.00 0.00 55.73 55.20 2h03 s ARG 1858Cb -0.11 -0.27 -0.05 0.00 0.52 0.00 0.00 34.95 35.05 2h03 s ARG 1858CO 0.42 0.06 0.23 -0.51 0.02 0.00 0.00 175.30 175.52 2h03 s LEU 1859N -0.94 4.30 -0.09 2.53 1.43 -1.26 -0.96 118.68 123.69 2h03 s LEU 1859Ca -0.06 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.57 2h03 s LEU 1859Cb -0.06 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 2h03 s LEU 1859CO 0.00 0.23 -0.21 -0.63 0.23 0.00 0.00 176.35 175.97 2h03 s ILE 1860N -0.14 2.42 -0.09 -0.59 -1.09 -0.08 -4.80 121.20 116.83 2h03 s ILE 1860Ca 0.15 -0.91 -0.01 0.00 -2.23 0.00 0.00 60.65 57.65 2h03 s ILE 1860Cb -0.13 -1.94 -0.03 0.00 -1.58 0.00 0.00 42.46 38.79 2h03 s ILE 1860CO 0.04 0.56 -0.04 -0.13 -1.23 0.00 0.00 174.94 174.14 2h03 s ARG 1861N 0.03 3.00 -0.11 2.79 0.52 0.00 -0.84 118.95 124.34 2h03 s ARG 1861Ca -0.08 -0.49 0.01 0.00 -0.52 0.00 0.00 55.73 54.65 2h03 s ARG 1861Cb -0.15 -2.72 0.02 0.00 0.52 0.00 0.00 34.95 32.62 2h03 s ARG 1861CO 0.05 0.61 -0.11 -1.58 0.02 0.00 0.00 175.30 174.28 2h03 s HIS 1862N -0.63 1.74 -0.29 -0.53 5.65 0.29 -1.00 115.29 120.51 2h03 s HIS 1862Ca 0.10 -0.86 -0.03 0.00 0.25 0.00 0.00 55.06 54.51 2h03 s HIS 1862Cb -0.12 -1.33 0.04 0.00 -1.18 0.00 0.00 32.58 29.99 2h03 s HIS 1862CO 0.02 -0.51 0.01 -0.06 -0.65 0.00 0.00 174.74 173.55 2h03 s PHE 1863N 1.36 3.19 -0.31 3.88 0.40 0.13 -0.92 117.98 125.72 2h03 s PHE 1863Ca -0.00 -1.58 -0.02 0.00 -0.60 0.00 0.00 56.93 54.73 2h03 s PHE 1863Cb -0.14 -2.14 0.05 0.00 0.51 0.00 0.00 43.02 41.31 2h03 s PHE 1863CO -0.06 -0.74 0.02 -1.58 0.70 0.00 0.00 175.22 173.56 2h03 s HIS 1864N 1.33 3.30 -0.16 0.36 2.46 -0.10 -0.65 115.29 121.83 2h03 s HIS 1864Ca -0.02 -1.92 -0.20 0.00 0.47 0.00 0.00 55.06 53.38 2h03 s HIS 1864Cb -0.19 -2.20 -0.03 0.00 -0.13 0.00 0.00 32.58 30.03 2h03 s HIS 1864CO -0.01 -0.82 0.58 -0.47 -2.47 0.00 0.00 174.74 171.56 2h03 s TYR 1865N 1.24 3.43 -2.12 3.88 5.04 -0.14 -0.58 117.35 128.11 2h03 s TYR 1865Ca -0.04 0.93 0.17 0.00 -2.44 0.00 0.00 57.07 55.69 2h03 s TYR 1865Cb -0.20 -2.72 0.18 0.00 0.35 0.00 0.00 41.96 39.57 2h03 s TYR 1865CO -0.01 -0.05 1.10 0.25 -1.34 0.00 0.00 175.55 175.50 2h03 n THR 1866N 4.31 0.11 -2.31 4.34 -2.24 -0.56 -4.31 114.28 113.63 2h03 n THR 1866Ca -0.03 -0.56 -0.17 0.00 -2.27 0.00 0.00 64.05 61.02 2h03 n THR 1866Cb 0.50 1.27 0.03 0.00 -2.10 0.00 0.00 70.33 70.03 2h03 n THR 1866CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2h03 n VAL 1867N 1.00 2.12 -3.94 2.28 0.24 -1.26 -4.86 118.33 113.91 2h03 n VAL 1867Ca 0.11 -3.88 -0.31 0.00 -2.04 0.00 0.00 64.34 58.22 2h03 n VAL 1867Cb 0.45 -0.42 -0.15 0.00 -1.47 0.00 0.00 33.84 32.25 2h03 n VAL 1867CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 2h03 s TRP 1868N -3.63 3.01 0.40 6.34 -0.11 -1.26 -4.51 118.94 119.17 2h03 s TRP 1868Ca 0.43 -2.46 -0.26 0.00 1.22 0.00 0.00 56.10 55.03 2h03 s TRP 1868Cb 0.39 -2.36 -0.09 0.00 -1.50 0.00 0.00 33.47 29.91 2h03 s TRP 1868CO -0.00 -0.90 1.33 -1.25 -4.62 0.00 0.00 176.95 171.51 2h03 s PRO 1869N 1.17 3.98 0.48 5.86 0.04 -1.26 -4.76 135.00 140.51 2h03 s PRO 1869Ca 0.07 2.23 -0.24 0.00 0.04 0.00 0.00 61.00 63.09 2h03 s PRO 1869Cb -0.19 -2.79 -0.07 0.00 0.04 0.00 0.00 34.50 31.49 2h03 s PRO 1869CO -0.12 -0.51 1.42 -3.47 0.04 0.00 0.00 177.00 174.36 2h03 n ASP 1870N 0.18 3.17 -1.04 6.66 4.64 -1.26 -1.70 116.55 127.19 2h03 n ASP 1870Ca 0.03 1.08 -0.14 0.00 -1.38 0.00 0.00 54.79 54.39 2h03 n ASP 1870Cb 0.43 -1.60 -0.06 0.00 -1.04 0.00 0.00 41.12 38.85 2h03 n ASP 1870CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 2h03 n HIS 1871N -0.45 0.00 -2.94 -0.67 8.25 -1.26 -4.91 115.22 113.24 2h03 n HIS 1871Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2h03 n HIS 1871Cb 0.42 -2.87 0.00 0.00 1.12 0.00 0.00 29.99 28.66 2h03 n HIS 1871CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2h03 n GLY 1872N -0.14 5.60 3.13 -1.41 0.00 -0.69 -4.92 105.19 106.75 2h03 n GLY 1872Ca -0.14 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 2h03 n GLY 1872CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2h03 s VAL 1873N -0.58 0.57 0.85 1.61 -7.23 -1.26 -4.77 120.40 109.59 2h03 s VAL 1873Ca 0.00 -1.69 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 2h03 s VAL 1873Cb 0.00 -1.37 0.11 0.00 0.56 0.00 0.00 36.38 35.68 2h03 s VAL 1873CO 0.00 -0.77 1.15 -2.84 -0.31 0.00 0.00 175.10 172.33 2h03 s PRO 1874N -3.26 1.49 0.42 4.82 0.02 -1.26 -4.45 135.00 132.79 2h03 s PRO 1874Ca 0.05 1.53 0.11 0.00 0.02 0.00 0.00 61.00 62.72 2h03 s PRO 1874Cb 0.02 -1.78 0.92 0.00 0.02 0.00 0.00 34.50 33.68 2h03 s PRO 1874CO -0.04 -2.28 1.99 0.93 -0.33 0.00 0.00 177.00 177.27 2h03 h GLU 1875N -1.38 0.17 -5.31 5.54 5.08 -2.02 -3.43 114.58 113.24 2h03 h GLU 1875Ca -0.44 -0.03 -0.39 0.00 -1.00 0.00 0.00 59.36 57.50 2h03 h GLU 1875Cb 1.27 -0.03 -0.18 0.00 0.50 0.00 0.00 28.75 30.31 2h03 h GLU 1875CO 0.45 0.27 -0.75 0.95 -1.00 0.00 0.00 179.01 178.93 2h03 s THR 1876N -4.83 1.26 0.28 1.13 -4.23 -1.26 -5.02 115.64 102.96 2h03 s THR 1876Ca -0.05 -1.75 0.04 0.00 -1.18 0.00 0.00 61.69 58.74 2h03 s THR 1876Cb 0.16 -1.54 0.06 0.00 1.34 0.00 0.00 72.50 72.51 2h03 s THR 1876CO 0.71 -0.48 1.71 0.71 -0.54 0.00 0.00 174.62 176.74 2h03 h THR 1877N 3.43 1.28 -0.76 3.99 1.35 -1.95 -3.32 112.91 116.92 2h03 h THR 1877Ca -0.39 -1.35 -0.02 0.00 -0.55 0.00 0.00 66.41 64.10 2h03 h THR 1877Cb 1.20 1.47 -0.04 0.00 -1.73 0.00 0.00 68.15 69.05 2h03 h THR 1877CO 0.53 0.42 0.41 -0.61 -0.25 0.00 0.00 175.52 176.02 2h03 h GLN 1878N 0.35 1.06 0.25 4.72 4.15 -1.98 -1.39 115.11 122.27 2h03 h GLN 1878Ca 0.05 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 2h03 h GLN 1878Cb 0.72 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.21 2h03 h GLN 1878CO 0.06 0.79 -0.12 1.03 -1.93 0.00 0.00 178.83 178.65 2h03 h SER 1879N 1.05 -0.29 0.02 -0.69 0.87 -2.00 -0.37 113.55 112.14 2h03 h SER 1879Ca 0.27 -0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.67 2h03 h SER 1879Cb 0.04 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2h03 h SER 1879CO -0.04 -0.19 -0.52 0.25 -0.53 0.00 0.00 176.83 175.80 2h03 h LEU 1880N -0.35 0.61 -0.55 2.23 5.85 -1.65 -0.98 115.31 120.46 2h03 h LEU 1880Ca -0.03 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.40 2h03 h LEU 1880Cb 0.27 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2h03 h LEU 1880CO 0.06 1.01 0.33 0.40 -0.34 0.00 0.00 178.44 179.90 2h03 h ILE 1881N 0.43 1.05 -0.15 4.05 2.04 -1.14 0.92 117.51 124.71 2h03 h ILE 1881Ca 0.01 -0.22 -0.14 0.00 1.00 0.00 0.00 64.86 65.51 2h03 h ILE 1881Cb 1.05 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2h03 h ILE 1881CO 0.10 0.12 -0.52 -0.61 0.00 0.00 0.00 178.15 177.24 2h03 h GLN 1882N 0.65 0.43 -0.03 2.37 5.75 -0.79 -0.88 115.11 122.61 2h03 h GLN 1882Ca 0.22 -0.26 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2h03 h GLN 1882Cb 0.03 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 2h03 h GLN 1882CO -0.10 0.84 0.01 0.35 -2.65 0.00 0.00 178.83 177.28 2h03 h PHE 1883N 0.33 0.06 -0.29 3.99 3.57 -0.80 -0.28 116.94 123.52 2h03 h PHE 1883Ca 0.01 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.53 2h03 h PHE 1883Cb 1.02 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 2h03 h PHE 1883CO 0.03 0.26 0.13 0.28 -2.23 0.00 0.00 178.31 176.78 2h03 h VAL 1884N -0.16 0.97 -1.00 1.41 2.07 -0.72 -1.27 116.25 117.55 2h03 h VAL 1884Ca 0.01 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2h03 h VAL 1884Cb 0.23 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 2h03 h VAL 1884CO -0.00 0.05 0.65 0.03 0.02 0.00 0.00 177.57 178.32 2h03 h ARG 1885N 0.28 1.21 -0.01 1.57 3.08 -1.05 -0.36 114.38 119.11 2h03 h ARG 1885Ca 0.12 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 2h03 h ARG 1885Cb 0.05 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.83 2h03 h ARG 1885CO -0.10 0.80 0.01 1.15 -1.07 0.00 0.00 179.97 180.77 2h03 h THR 1886N 1.25 1.04 -0.37 2.04 2.02 -0.62 0.87 112.91 119.14 2h03 h THR 1886Ca 0.40 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.43 2h03 h THR 1886Cb 0.03 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 2h03 h THR 1886CO -0.13 0.03 0.11 0.58 0.37 0.00 0.00 175.52 176.48 2h03 h VAL 1887N -0.03 1.22 -0.73 3.16 2.07 -0.99 -1.69 116.25 119.25 2h03 h VAL 1887Ca 0.01 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 66.84 2h03 h VAL 1887Cb 0.05 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 2h03 h VAL 1887CO -0.00 0.25 0.46 -0.09 0.02 0.00 0.00 177.57 178.20 2h03 h ARG 1888N 0.45 0.86 -0.81 1.57 9.65 -0.94 0.20 114.38 125.37 2h03 h ARG 1888Ca 0.12 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 2h03 h ARG 1888Cb 0.27 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 28.62 2h03 h ARG 1888CO -0.00 0.57 0.47 -0.44 2.80 0.00 0.00 179.97 183.36 2h03 h ASP 1889N 0.89 0.99 -0.62 -3.80 3.32 -0.47 -1.05 116.42 115.68 2h03 h ASP 1889Ca 0.30 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 2h03 h ASP 1889Cb 0.03 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 2h03 h ASP 1889CO -0.12 0.78 0.13 1.88 -1.72 0.00 0.00 179.24 180.20 2h03 h TYR 1890N 1.11 1.07 -0.79 4.55 -1.99 -0.26 -2.60 116.97 118.06 2h03 h TYR 1890Ca 0.29 -0.14 0.05 0.00 2.00 0.00 0.00 58.73 60.93 2h03 h TYR 1890Cb -0.01 -0.30 -0.05 0.00 2.00 0.00 0.00 36.73 38.37 2h03 h TYR 1890CO -0.00 0.90 0.49 0.82 -0.00 0.00 0.00 178.16 180.37 2h03 h ILE 1891N 0.92 1.07 0.00 -2.88 2.04 -0.32 -2.07 117.51 116.27 2h03 h ILE 1891Ca 0.19 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2h03 h ILE 1891Cb 0.39 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2h03 h ILE 1891CO 0.01 0.17 0.00 0.78 0.00 0.00 0.00 178.15 179.10 2h03 h ASN 1892N 0.92 0.00 -0.17 1.72 2.35 -0.82 -0.25 115.58 119.34 2h03 h ASN 1892Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2h03 h ASN 1892Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2h03 h ASN 1892CO -0.14 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.18 2h03 n ARG 1893N -2.92 2.33 -2.55 0.81 1.74 -0.98 -4.78 116.66 110.31 2h03 n ARG 1893Ca 0.01 -1.97 -0.43 0.00 -0.77 0.00 0.00 57.85 54.69 2h03 n ARG 1893Cb 0.30 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 2h03 n ARG 1893CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2h03 n SER 1894N 1.29 5.06 -4.43 0.55 7.64 -0.11 -4.90 113.62 118.71 2h03 n SER 1894Ca 0.16 -3.03 -0.47 0.00 1.01 0.00 0.00 58.87 56.55 2h03 n SER 1894Cb 0.58 -1.54 -0.12 0.00 -1.01 0.00 0.00 64.21 62.11 2h03 n SER 1894CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2h03 n PRO 1895N 4.97 0.18 -0.15 1.43 -0.04 -1.26 -0.73 135.00 139.39 2h03 n PRO 1895Ca 0.40 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 2h03 n PRO 1895Cb 0.39 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 2h03 n PRO 1895CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h03 n GLY 1896N 6.74 0.00 0.00 0.55 0.00 -1.26 -5.00 105.19 106.23 2h03 n GLY 1896Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.60 2h03 n GLY 1896CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h03 n ALA 1897N 0.64 0.00 -1.00 4.61 0.00 0.09 -5.14 120.51 119.71 2h03 n ALA 1897Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2h03 n ALA 1897Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2h03 n ALA 1897CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h03 n GLY 1898N 5.00 -2.00 3.75 0.00 0.00 -0.94 -5.01 105.19 106.00 2h03 n GLY 1898Ca 0.00 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 2h03 n GLY 1898CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2h03 s PRO 1899N -2.06 3.28 -0.04 1.61 0.02 -1.26 -4.78 135.00 131.77 2h03 s PRO 1899Ca 0.00 2.31 -0.27 0.00 0.02 0.00 0.00 61.00 63.06 2h03 s PRO 1899Cb 0.00 -2.37 -0.03 0.00 0.02 0.00 0.00 34.50 32.12 2h03 s PRO 1899CO 0.00 -1.10 0.84 0.99 -0.33 0.00 0.00 177.00 177.40 2h03 s THR 1900N -1.27 4.95 0.02 0.99 2.01 -0.54 -4.41 115.64 117.40 2h03 s THR 1900Ca 0.69 1.75 -0.25 0.00 0.31 0.00 0.00 61.69 64.19 2h03 s THR 1900Cb -0.42 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 67.86 2h03 s THR 1900CO 0.51 0.19 0.75 -0.69 -0.69 0.00 0.00 174.62 174.69 2h03 s VAL 1901N 1.00 4.79 -0.04 3.82 1.01 -0.79 -1.19 120.40 128.99 2h03 s VAL 1901Ca 0.44 1.59 0.02 0.00 0.00 0.00 0.00 61.98 64.04 2h03 s VAL 1901Cb -0.19 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.10 2h03 s VAL 1901CO 0.22 0.35 -0.11 -0.69 0.00 0.00 0.00 175.10 174.87 2h03 s VAL 1902N 0.09 0.95 0.06 2.92 1.01 -0.15 -0.04 120.40 125.24 2h03 s VAL 1902Ca 0.38 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.85 2h03 s VAL 1902Cb -0.20 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.33 2h03 s VAL 1902CO 0.22 0.30 0.21 -1.38 0.00 0.00 0.00 175.10 174.45 2h03 s HIS 1903N 0.41 0.06 0.00 5.22 -3.43 -0.12 -2.23 115.29 115.20 2h03 s HIS 1903Ca -0.08 -0.34 0.00 0.00 -0.80 0.00 0.00 55.06 53.85 2h03 s HIS 1903Cb -0.12 -0.01 0.00 0.00 -1.43 0.00 0.00 32.58 31.02 2h03 s HIS 1903CO 0.02 -0.49 0.00 0.00 -2.00 0.00 0.00 174.74 172.27 2h03 n SER 1905N 0.00 1.89 0.04 0.00 2.88 -1.26 -1.88 113.62 115.29 2h03 n SER 1905Ca 0.00 0.43 0.12 0.00 -1.33 0.00 0.00 58.87 58.08 2h03 n SER 1905Cb 0.00 -0.85 0.10 0.00 -0.75 0.00 0.00 64.21 62.71 2h03 n SER 1905CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2h03 n ALA 1906N -3.96 3.15 -2.24 -1.46 0.00 -1.26 -0.79 120.51 113.95 2h03 n ALA 1906Ca -0.28 -0.32 -0.06 0.00 0.00 0.00 0.00 53.44 52.77 2h03 n ALA 1906Cb 0.60 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2h03 n ALA 1906CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h03 n GLY 1907N 1.35 0.18 1.47 0.00 0.00 -1.24 -4.25 105.19 102.71 2h03 n GLY 1907Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2h03 n GLY 1907CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2h03 n VAL 1908N -3.87 0.00 0.04 1.61 0.24 -1.26 -4.59 118.33 110.49 2h03 n VAL 1908Ca -0.06 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.22 2h03 n VAL 1908Cb 0.55 -0.82 -0.01 0.00 -1.47 0.00 0.00 33.84 32.09 2h03 n VAL 1908CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2h03 h GLY 1909N 0.00 -0.13 1.12 7.63 0.00 -1.93 -1.40 103.07 108.36 2h03 h GLY 1909Ca 0.00 0.05 -0.22 0.00 0.00 0.00 0.00 47.33 47.16 2h03 h GLY 1909CO 0.00 -0.05 -0.79 3.21 0.00 0.00 0.00 176.54 178.91 2h03 h ARG 1910N -0.28 0.73 -0.27 4.80 3.08 -1.93 -1.17 114.38 119.34 2h03 h ARG 1910Ca -0.01 -0.64 0.04 0.00 0.07 0.00 0.00 59.98 59.44 2h03 h ARG 1910Cb 0.10 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 2h03 h ARG 1910CO 0.02 1.24 0.05 1.15 -1.07 0.00 0.00 179.97 181.36 2h03 h THR 1911N 0.43 0.86 -0.75 2.04 2.02 -1.88 -0.77 112.91 114.86 2h03 h THR 1911Ca -0.07 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 2h03 h THR 1911Cb 1.43 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 2h03 h THR 1911CO 0.16 0.03 0.43 1.23 0.37 0.00 0.00 175.52 177.74 2h03 h GLY 1912N 0.14 1.10 1.13 2.16 0.00 -1.17 -1.80 103.07 104.63 2h03 h GLY 1912Ca 0.13 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 2h03 h GLY 1912CO -0.17 0.46 0.09 -0.84 0.00 0.00 0.00 176.54 176.08 2h03 h THR 1913N 1.02 1.26 -0.05 4.70 2.02 -0.97 0.81 112.91 121.70 2h03 h THR 1913Ca 0.26 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.41 2h03 h THR 1913Cb 0.00 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2h03 h THR 1913CO -0.05 0.39 0.02 0.15 0.37 0.00 0.00 175.52 176.41 2h03 h PHE 1914N 0.99 0.05 -0.21 3.16 3.57 -0.91 -0.59 116.94 123.00 2h03 h PHE 1914Ca 0.19 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 2h03 h PHE 1914Cb 0.45 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 2h03 h PHE 1914CO 0.03 0.03 -0.30 0.82 -2.23 0.00 0.00 178.31 176.66 2h03 h ILE 1915N 0.06 1.33 -0.61 1.41 2.04 -1.15 -0.47 117.51 120.11 2h03 h ILE 1915Ca 0.02 -1.50 0.12 0.00 1.00 0.00 0.00 64.86 64.50 2h03 h ILE 1915Cb 0.00 1.79 -0.09 0.00 -0.74 0.00 0.00 36.82 37.79 2h03 h ILE 1915CO -0.02 0.46 0.10 0.00 0.00 0.00 0.00 178.15 178.70 2h03 h ALA 1916N 0.63 0.70 -0.52 1.87 0.00 -0.80 -0.82 119.26 120.32 2h03 h ALA 1916Ca 0.02 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2h03 h ALA 1916Cb 0.88 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2h03 h ALA 1916CO 0.07 -0.33 0.07 1.25 0.00 0.00 0.00 179.25 180.31 2h03 h LEU 1917N 0.22 0.84 -0.58 0.00 5.85 -0.76 0.12 115.31 120.99 2h03 h LEU 1917Ca 0.32 -0.27 0.09 0.00 0.84 0.00 0.00 57.88 58.87 2h03 h LEU 1917Cb 0.49 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 2h03 h LEU 1917CO -0.44 0.90 0.18 -0.78 -0.34 0.00 0.00 178.44 177.97 2h03 h ASP 1918N 0.75 0.14 -0.34 1.25 3.58 -0.52 -0.65 116.42 120.64 2h03 h ASP 1918Ca 0.16 0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.60 2h03 h ASP 1918Cb 0.43 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 2h03 h ASP 1918CO 0.01 0.09 -0.13 0.03 -2.88 0.00 0.00 179.24 176.36 2h03 h ARG 1919N 0.34 0.68 -0.66 0.28 3.08 -0.68 -2.37 114.38 115.05 2h03 h ARG 1919Ca 0.30 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 2h03 h ARG 1919Cb 0.38 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 2h03 h ARG 1919CO -0.33 0.87 0.12 0.82 -1.07 0.00 0.00 179.97 180.39 2h03 h ILE 1920N 0.46 1.26 -0.50 2.04 2.04 -0.71 -0.76 117.51 121.34 2h03 h ILE 1920Ca 0.08 -1.02 -0.07 0.00 1.00 0.00 0.00 64.86 64.86 2h03 h ILE 1920Cb 0.65 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2h03 h ILE 1920CO 0.04 0.38 0.04 -0.07 0.00 0.00 0.00 178.15 178.55 2h03 h LEU 1921N 1.01 0.76 -0.79 1.44 3.38 -1.09 -0.37 115.31 119.65 2h03 h LEU 1921Ca 0.20 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2h03 h LEU 1921Cb 0.42 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2h03 h LEU 1921CO 0.01 0.81 -0.04 1.56 0.09 0.00 0.00 178.44 180.87 2h03 h GLN 1922N 0.76 0.87 -0.67 1.13 4.20 -1.02 -2.64 115.11 117.75 2h03 h GLN 1922Ca 0.15 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2h03 h GLN 1922Cb 0.40 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 2h03 h GLN 1922CO 0.01 0.90 0.39 1.96 -0.67 0.00 0.00 178.83 181.42 2h03 h GLN 1923N 0.80 0.92 0.00 1.46 4.20 -0.39 -2.10 115.11 120.00 2h03 h GLN 1923Ca 0.14 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 2h03 h GLN 1923Cb 0.54 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 2h03 h GLN 1923CO 0.03 0.67 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.65 2h03 h LEU 1924N 0.91 0.00 -0.18 1.46 3.38 -0.88 0.87 115.31 120.87 2h03 h LEU 1924Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2h03 h LEU 1924Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2h03 h LEU 1924CO -0.04 0.14 -0.26 0.47 0.09 0.00 0.00 178.44 178.84 2h03 n ASP 1925N -3.58 0.54 0.00 -0.43 8.00 -0.83 -4.48 116.55 115.77 2h03 n ASP 1925Ca -0.01 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.11 2h03 n ASP 1925Cb 0.28 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 2h03 n ASP 1925CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2h03 n SER 1926N -1.15 4.62 -4.45 -2.24 7.64 -0.46 -5.10 113.62 112.48 2h03 n SER 1926Ca 0.10 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.76 2h03 n SER 1926Cb 0.32 0.46 -0.10 0.00 -1.01 0.00 0.00 64.21 63.88 2h03 n SER 1926CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2h03 s LYS 1927N -1.92 1.60 -0.24 1.43 1.02 0.17 -5.04 119.74 116.76 2h03 s LYS 1927Ca 0.00 -1.81 0.14 0.00 0.02 0.00 0.00 55.97 54.32 2h03 s LYS 1927Cb 0.00 -1.27 0.82 0.00 -0.52 0.00 0.00 37.83 36.85 2h03 s LYS 1927CO 0.00 0.07 1.75 -0.40 -0.92 0.00 0.00 175.35 175.85 2h03 n ASP 1928N -0.62 5.71 -4.05 2.83 5.75 -1.26 -4.69 116.55 120.23 2h03 n ASP 1928Ca -0.05 -2.93 -0.08 0.00 -0.01 0.00 0.00 54.79 51.71 2h03 n ASP 1928Cb 0.63 -0.68 -0.10 0.00 -1.03 0.00 0.00 41.12 39.94 2h03 n ASP 1928CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2h03 s SER 1929N -0.82 0.39 0.04 -1.12 0.01 -1.26 -0.78 113.70 110.17 2h03 s SER 1929Ca 0.55 -0.82 0.05 0.00 1.31 0.00 0.00 55.95 57.03 2h03 s SER 1929Cb 0.42 0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.80 2h03 s SER 1929CO 0.16 -0.51 -0.13 0.54 0.41 0.00 0.00 173.24 173.71 2h03 s VAL 1930N -3.11 1.05 -0.45 3.43 0.11 0.26 -4.76 120.40 116.93 2h03 s VAL 1930Ca -0.01 -1.02 0.03 0.00 -2.93 0.00 0.00 61.98 58.06 2h03 s VAL 1930Cb 0.02 -0.97 0.16 0.00 -1.53 0.00 0.00 36.38 34.07 2h03 s VAL 1930CO -0.07 -0.05 0.33 -0.62 -3.33 0.00 0.00 175.10 171.37 2h03 s ASP 1931N -1.21 2.43 0.09 3.54 2.15 -1.26 -0.82 116.67 121.58 2h03 s ASP 1931Ca 0.00 -3.01 -0.17 0.00 0.43 0.00 0.00 52.55 49.81 2h03 s ASP 1931Cb -0.08 -0.68 -0.08 0.00 -0.30 0.00 0.00 42.92 41.78 2h03 s ASP 1931CO 0.01 -0.19 1.45 0.40 -0.17 0.00 0.00 175.17 176.68 2h03 h ILE 1932N 4.72 1.30 -0.65 4.11 2.04 -1.99 -1.66 117.51 125.37 2h03 h ILE 1932Ca 0.19 -1.22 0.05 0.00 1.00 0.00 0.00 64.86 64.88 2h03 h ILE 1932Cb 0.90 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 38.43 2h03 h ILE 1932CO 0.42 0.39 0.37 0.22 0.00 0.00 0.00 178.15 179.55 2h03 h TYR 1933N 0.32 0.68 -0.47 1.37 3.20 -1.93 -2.06 116.97 118.09 2h03 h TYR 1933Ca 0.06 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 2h03 h TYR 1933Cb 0.65 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 2h03 h TYR 1933CO 0.06 0.34 -0.07 0.78 -1.64 0.00 0.00 178.16 177.63 2h03 h GLY 1934N 0.69 0.89 0.96 1.82 0.00 -1.72 0.11 103.07 105.82 2h03 h GLY 1934Ca 0.29 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 2h03 h GLY 1934CO -0.16 0.60 0.19 0.00 0.00 0.00 0.00 176.54 177.17 2h03 h ALA 1935N 1.17 0.62 -0.12 3.60 0.00 -0.83 0.03 119.26 123.73 2h03 h ALA 1935Ca 0.13 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2h03 h ALA 1935Cb 0.55 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2h03 h ALA 1935CO 0.03 0.23 -0.50 0.28 0.00 0.00 0.00 179.25 179.29 2h03 h VAL 1936N 0.63 1.35 -0.47 0.00 2.07 -1.11 -2.45 116.25 116.27 2h03 h VAL 1936Ca 0.16 -1.80 0.09 0.00 0.82 0.00 0.00 66.70 65.97 2h03 h VAL 1936Cb 0.19 2.12 -0.09 0.00 -1.52 0.00 0.00 31.29 31.99 2h03 h VAL 1936CO -0.01 0.55 -0.12 -0.74 0.02 0.00 0.00 177.57 177.26 2h03 h HIS 1937N 0.18 -0.27 -0.28 1.57 6.17 -0.66 -0.30 115.15 121.56 2h03 h HIS 1937Ca -0.03 0.04 -0.04 0.00 0.71 0.00 0.00 60.37 61.06 2h03 h HIS 1937Cb 1.14 0.19 -0.02 0.00 2.52 0.00 0.00 27.41 31.24 2h03 h HIS 1937CO 0.11 -0.21 0.00 -0.44 0.71 0.00 0.00 177.93 178.10 2h03 h ASP 1938N -0.01 0.39 -0.33 3.26 3.32 -0.89 -1.89 116.42 120.28 2h03 h ASP 1938Ca 0.23 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 2h03 h ASP 1938Cb 0.35 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2h03 h ASP 1938CO -0.49 0.46 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.15 2h03 h LEU 1939N 0.41 0.80 -2.04 1.55 3.38 -0.86 -3.10 115.31 115.45 2h03 h LEU 1939Ca 0.09 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.63 2h03 h LEU 1939Cb 0.27 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2h03 h LEU 1939CO 0.01 1.08 0.04 0.03 0.09 0.00 0.00 178.44 179.69 2h03 h ARG 1940N 0.52 0.00 -0.01 1.13 2.47 -0.50 -0.24 114.38 117.75 2h03 h ARG 1940Ca 0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2h03 h ARG 1940Cb 0.83 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.15 2h03 h ARG 1940CO 0.07 0.00 0.02 -0.07 0.56 0.00 0.00 179.97 180.55 2h03 h LEU 1941N 0.00 0.00 0.00 3.04 3.38 -1.28 -3.21 115.31 117.24 2h03 h LEU 1941Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2h03 h LEU 1941Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2h03 h LEU 1941CO -0.00 0.00 -1.62 1.41 0.09 0.00 0.00 178.44 178.32 2h03 n HIS 1942N -3.38 0.00 -3.60 1.13 8.25 -0.14 -4.83 115.22 112.64 2h03 n HIS 1942Ca -0.03 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.28 2h03 n HIS 1942Cb 0.10 -0.34 -0.07 0.00 1.12 0.00 0.00 29.99 30.81 2h03 n HIS 1942CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2h03 s ARG 1943N -2.80 0.89 0.60 -0.41 3.52 -0.93 -4.60 118.95 115.21 2h03 s ARG 1943Ca -0.05 0.83 -0.20 0.00 -0.13 0.00 0.00 55.73 56.18 2h03 s ARG 1943Cb 0.07 0.43 -0.03 0.00 -1.56 0.00 0.00 34.95 33.86 2h03 s ARG 1943CO 0.53 -0.15 1.25 1.33 -0.81 0.00 0.00 175.30 177.45 2h03 n VAL 1944N 2.28 4.29 -0.97 7.11 0.24 -1.26 -3.64 118.33 126.38 2h03 n VAL 1944Ca -0.15 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 2h03 n VAL 1944Cb 0.55 -1.49 0.00 0.00 -1.47 0.00 0.00 33.84 31.44 2h03 n VAL 1944CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2h03 n HIS 1945N -1.54 0.00 -1.68 6.34 8.25 -1.26 -4.81 115.22 120.52 2h03 n HIS 1945Ca 0.13 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.13 2h03 n HIS 1945Cb 0.46 -1.54 -0.04 0.00 1.12 0.00 0.00 29.99 29.99 2h03 n HIS 1945CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2h03 n MET 1946N -0.03 2.31 -2.38 -0.41 0.00 -1.24 -2.49 117.12 112.88 2h03 n MET 1946Ca 0.00 0.84 -0.02 0.00 0.00 0.00 0.00 57.70 58.52 2h03 n MET 1946Cb 0.36 -2.68 0.00 0.00 0.00 0.00 0.00 33.22 30.90 2h03 n MET 1946CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2h03 n VAL 1947N 4.67 -8.78 0.37 2.03 0.31 -0.80 -4.76 118.33 111.37 2h03 n VAL 1947Ca 0.20 1.04 0.12 0.00 -0.01 0.00 0.00 64.34 65.69 2h03 n VAL 1947Cb 0.31 -6.15 0.08 0.00 -0.91 0.00 0.00 33.84 27.17 2h03 n VAL 1947CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2h03 h GLN 1948N 1.85 0.00 -5.45 5.55 -0.00 -1.66 -3.46 115.11 111.93 2h03 h GLN 1948Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.65 58.23 2h03 h GLN 1948Cb 0.27 0.00 -0.18 0.00 0.00 0.00 0.00 27.48 27.57 2h03 h GLN 1948CO 0.10 0.00 -0.76 0.95 0.00 0.00 0.00 178.83 179.12 2h03 s THR 1949N -3.25 1.39 0.30 2.39 -4.23 -1.26 -5.04 115.64 105.94 2h03 s THR 1949Ca 0.03 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 58.75 2h03 s THR 1949Cb 0.12 -1.61 0.18 0.00 1.34 0.00 0.00 72.50 72.52 2h03 s THR 1949CO 0.76 -0.44 1.87 -0.08 -0.54 0.00 0.00 174.62 176.19 2h03 h GLU 1950N 3.38 0.77 -0.26 3.99 4.81 -1.97 -1.84 114.58 123.47 2h03 h GLU 1950Ca -0.40 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 58.67 2h03 h GLU 1950Cb 1.20 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2h03 h GLU 1950CO 0.52 0.67 0.02 0.00 -0.73 0.00 0.00 179.01 179.50 2h03 h GLN 1952N 0.37 1.11 -0.64 0.00 4.20 -1.66 0.37 115.11 118.86 2h03 h GLN 1952Ca 0.09 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 2h03 h GLN 1952Cb 0.21 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2h03 h GLN 1952CO 0.00 0.99 0.24 -0.92 -0.67 0.00 0.00 178.83 178.48 2h03 h TYR 1953N 1.03 1.00 -0.66 2.96 3.20 -0.71 -2.09 116.97 121.69 2h03 h TYR 1953Ca 0.21 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 2h03 h TYR 1953Cb 0.40 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 2h03 h TYR 1953CO 0.03 0.79 0.30 0.28 -1.64 0.00 0.00 178.16 177.92 2h03 h VAL 1954N 0.91 1.23 -0.92 1.81 2.07 -0.74 -2.75 116.25 117.85 2h03 h VAL 1954Ca 0.21 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.12 2h03 h VAL 1954Cb 0.23 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 2h03 h VAL 1954CO -0.01 0.27 0.59 0.22 0.02 0.00 0.00 177.57 178.66 2h03 h TYR 1955N 0.92 1.10 -0.82 1.57 3.20 -0.60 -0.66 116.97 121.67 2h03 h TYR 1955Ca 0.23 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.15 2h03 h TYR 1955Cb 0.15 -0.36 -0.05 0.00 1.54 0.00 0.00 36.73 38.01 2h03 h TYR 1955CO 0.01 0.59 0.53 -0.07 -1.64 0.00 0.00 178.16 177.57 2h03 h LEU 1956N 1.10 0.89 -0.73 2.82 3.38 -1.10 -0.97 115.31 120.71 2h03 h LEU 1956Ca 0.39 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.30 2h03 h LEU 1956Cb 0.12 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2h03 h LEU 1956CO -0.16 0.62 0.26 0.45 0.09 0.00 0.00 178.44 179.70 2h03 h HIS 1957N 1.05 1.14 -0.74 1.13 3.86 -1.00 -2.33 115.15 118.26 2h03 h HIS 1957Ca 0.32 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.41 2h03 h HIS 1957Cb -0.02 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.08 2h03 h HIS 1957CO -0.02 0.89 0.36 1.96 0.86 0.00 0.00 177.93 181.97 2h03 h GLN 1958N 1.06 1.05 -0.24 2.45 4.20 -0.61 -0.16 115.11 122.86 2h03 h GLN 1958Ca 0.24 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2h03 h GLN 1958Cb 0.26 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2h03 h GLN 1958CO -0.01 0.81 0.09 0.00 -0.67 0.00 0.00 178.83 179.04 2h03 h VAL 1960N 0.23 1.16 -0.36 0.00 2.07 -1.19 -1.48 116.25 116.67 2h03 h VAL 1960Ca 0.08 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.32 2h03 h VAL 1960Cb 0.19 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 2h03 h VAL 1960CO -0.01 0.16 0.09 -0.09 0.02 0.00 0.00 177.57 177.75 2h03 h ARG 1961N 0.81 0.22 -0.45 1.57 2.43 -0.76 -0.58 114.38 117.61 2h03 h ARG 1961Ca 0.22 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 2h03 h ARG 1961Cb -0.06 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2h03 h ARG 1961CO -0.04 0.15 0.09 -0.44 -1.51 0.00 0.00 179.97 178.22 2h03 h ASP 1962N 0.23 0.70 -0.45 -3.80 3.32 -0.68 -0.37 116.42 115.37 2h03 h ASP 1962Ca 0.17 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 56.99 2h03 h ASP 1962Cb 0.18 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2h03 h ASP 1962CO -0.21 0.76 0.27 0.58 -1.72 0.00 0.00 179.24 178.93 2h03 h VAL 1963N 0.60 1.06 -0.20 -1.35 2.07 -0.99 -2.85 116.25 114.60 2h03 h VAL 1963Ca 0.14 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.35 2h03 h VAL 1963Cb 0.35 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2h03 h VAL 1963CO 0.00 0.10 -0.40 -0.07 0.02 0.00 0.00 177.57 177.23 2h03 h LEU 1964N 0.55 0.48 -0.95 2.57 3.38 -0.85 -1.75 115.31 118.74 2h03 h LEU 1964Ca 0.18 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2h03 h LEU 1964Cb 0.00 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 2h03 h LEU 1964CO -0.08 0.83 0.61 0.03 0.09 0.00 0.00 178.44 179.92 2h03 h ARG 1965N 0.38 1.27 -0.29 1.13 3.08 -0.96 -0.42 114.38 118.56 2h03 h ARG 1965Ca 0.03 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 2h03 h ARG 1965Cb 0.86 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 2h03 h ARG 1965CO 0.07 0.86 -0.15 0.00 -1.07 0.00 0.00 179.97 179.68 2h03 h ALA 1966N 1.33 0.41 -0.18 0.04 0.00 -1.24 -3.16 119.26 116.47 2h03 h ALA 1966Ca 0.35 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2h03 h ALA 1966Cb -0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2h03 h ALA 1966CO -0.07 0.31 -0.31 0.00 0.00 0.00 0.00 179.25 179.17 2h03 h ARG 1967N 0.36 0.35 -0.76 0.00 3.08 -0.87 -2.91 114.38 113.64 2h03 h ARG 1967Ca 0.06 -0.14 0.09 0.00 0.07 0.00 0.00 59.98 60.06 2h03 h ARG 1967Cb 0.67 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.66 2h03 h ARG 1967CO 0.04 0.63 0.50 -0.22 -1.07 0.00 0.00 179.97 179.86 2h03 h LYS 1968N 0.31 0.68 -0.01 0.04 3.64 -1.05 -1.96 116.57 118.22 2h03 h LYS 1968Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2h03 h LYS 1968Cb 0.71 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2h03 h LYS 1968CO 0.05 0.45 -0.34 1.28 -2.27 0.00 0.00 179.45 178.62 2h03 n LEU 1969N -4.50 1.19 -0.38 5.20 4.77 -1.11 -5.13 117.00 117.05 2h03 n LEU 1969Ca 0.12 -0.35 0.05 0.00 -0.03 0.00 0.00 56.01 55.80 2h03 n LEU 1969Cb 0.31 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.34 2h03 n LEU 1969CO 0.33 0.23 0.40 0.54 -1.33 0.00 0.00 177.39 177.55