#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i4g n THR 1679N 0.00 0.00 -3.64 3.15 5.66 -1.26 -5.01 114.28 113.18 2i4g n THR 1679Ca 0.00 -0.12 -0.09 0.00 -3.05 0.00 0.00 64.05 60.79 2i4g n THR 1679Cb 0.00 0.93 -0.07 0.00 -1.55 0.00 0.00 70.33 69.64 2i4g n THR 1679CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2i4g s SER 1680N -2.72 -0.43 -0.42 1.09 0.15 -1.26 -4.19 113.70 105.91 2i4g s SER 1680Ca 0.05 0.83 0.05 0.00 0.70 0.00 0.00 55.95 57.58 2i4g s SER 1680Cb 0.13 0.84 0.19 0.00 -1.71 0.00 0.00 66.02 65.48 2i4g s SER 1680CO 0.70 -0.14 0.41 0.00 1.20 0.00 0.00 173.24 175.41 2i4g s PRO 1682N -0.43 4.21 -0.05 0.00 0.04 -1.26 -4.58 135.00 132.93 2i4g s PRO 1682Ca 0.33 1.54 0.04 0.00 0.04 0.00 0.00 61.00 62.95 2i4g s PRO 1682Cb 0.08 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 32.02 2i4g s PRO 1682CO -0.17 -0.11 -0.16 0.42 0.04 0.00 0.00 177.00 177.02 2i4g s ILE 1683N -1.61 1.33 0.36 0.56 -1.09 0.13 -4.94 121.20 115.95 2i4g s ILE 1683Ca 0.57 -0.65 -0.27 0.00 -2.23 0.00 0.00 60.65 58.06 2i4g s ILE 1683Cb -0.23 -1.16 -0.09 0.00 -1.58 0.00 0.00 42.46 39.40 2i4g s ILE 1683CO 0.29 0.39 1.22 -0.54 -1.23 0.00 0.00 174.94 175.07 2i4g s LYS 1684N 0.17 4.24 0.35 2.79 1.02 -1.26 -1.20 119.74 125.85 2i4g s LYS 1684Ca -0.06 2.00 0.08 0.00 0.02 0.00 0.00 55.97 58.01 2i4g s LYS 1684Cb -0.12 -2.91 0.66 0.00 -0.52 0.00 0.00 37.83 34.95 2i4g s LYS 1684CO 0.02 -0.21 1.85 -0.84 -0.92 0.00 0.00 175.35 175.25 2i4g h ILE 1685N 2.71 1.22 0.00 2.17 3.07 -1.56 -0.45 117.51 124.67 2i4g h ILE 1685Ca -0.49 -0.99 0.00 0.00 1.55 0.00 0.00 64.86 64.94 2i4g h ILE 1685Cb 1.23 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 39.08 2i4g h ILE 1685CO 0.64 0.31 0.00 0.59 -1.05 0.00 0.00 178.15 178.64 2i4g n ASN 1686N -4.21 0.00 -0.29 2.16 4.13 -1.26 -2.21 115.26 113.58 2i4g n ASN 1686Ca -0.01 0.38 0.05 0.00 1.68 0.00 0.00 54.58 56.68 2i4g n ASN 1686Cb 0.32 -0.44 0.01 0.00 -1.54 0.00 0.00 39.78 38.14 2i4g n ASN 1686CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2i4g n GLN 1687N -1.44 1.54 -0.09 3.52 6.02 -0.25 -4.75 117.38 121.93 2i4g n GLN 1687Ca 0.05 -0.78 -0.07 0.00 -0.01 0.00 0.00 57.00 56.19 2i4g n GLN 1687Cb 0.17 -1.12 0.01 0.00 1.02 0.00 0.00 30.24 30.31 2i4g n GLN 1687CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 2i4g h PHE 1688N 1.43 0.12 -0.36 1.08 3.57 -0.88 0.60 116.94 122.50 2i4g h PHE 1688Ca 0.00 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.57 2i4g h PHE 1688Cb 0.37 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 2i4g h PHE 1688CO 0.00 0.03 0.07 1.49 -2.23 0.00 0.00 178.31 177.67 2i4g h GLU 1689N 0.19 0.18 -0.57 1.11 4.57 -1.85 0.18 114.58 118.38 2i4g h GLU 1689Ca 0.15 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.27 2i4g h GLU 1689Cb 0.15 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 2i4g h GLU 1689CO -0.19 0.12 0.18 0.78 -1.18 0.00 0.00 179.01 178.72 2i4g h GLY 1690N 0.19 0.96 0.30 1.92 0.00 -1.87 -1.22 103.07 103.35 2i4g h GLY 1690Ca 0.17 -0.57 0.09 0.00 0.00 0.00 0.00 47.33 47.03 2i4g h GLY 1690CO -0.23 0.53 0.11 0.84 0.00 0.00 0.00 176.54 177.79 2i4g h HIS 1691N 0.80 0.18 -0.30 5.60 -0.00 0.17 -1.17 115.15 120.42 2i4g h HIS 1691Ca 0.18 0.03 -0.18 0.00 -0.00 0.00 0.00 60.37 60.41 2i4g h HIS 1691Cb 0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.70 2i4g h HIS 1691CO 0.02 -0.01 -0.52 0.35 -0.00 0.00 0.00 177.93 177.77 2i4g h PHE 1692N 0.25 1.09 -0.30 5.26 3.57 -0.52 -1.29 116.94 125.00 2i4g h PHE 1692Ca 0.27 -0.38 0.06 0.00 3.53 0.00 0.00 57.97 61.45 2i4g h PHE 1692Cb 0.37 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 2i4g h PHE 1692CO -0.23 1.21 -0.07 0.52 -2.23 0.00 0.00 178.31 177.51 2i4g h MET 1693N 0.68 0.01 -0.28 1.11 2.86 -1.01 -1.08 114.93 117.22 2i4g h MET 1693Ca 0.02 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 2i4g h MET 1693Cb 1.12 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.74 2i4g h MET 1693CO 0.12 0.01 0.04 0.87 1.06 0.00 0.00 176.91 179.00 2i4g h LYS 1694N 0.01 0.13 -0.15 1.72 1.57 -0.89 -0.72 116.57 118.23 2i4g h LYS 1694Ca 0.14 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.95 2i4g h LYS 1694Cb 0.21 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2i4g h LYS 1694CO -0.30 0.08 0.11 -0.07 -0.57 0.00 0.00 179.45 178.71 2i4g h LEU 1695N 0.13 0.03 0.00 2.94 3.38 -0.98 -2.71 115.31 118.11 2i4g h LEU 1695Ca 0.13 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2i4g h LEU 1695Cb 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2i4g h LEU 1695CO -0.19 0.02 -0.70 1.56 0.09 0.00 0.00 178.44 179.23 2i4g h GLN 1696N 0.04 0.00 -7.02 1.13 4.20 0.14 -2.04 115.11 111.55 2i4g h GLN 1696Ca 0.07 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.23 2i4g h GLN 1696Cb 0.23 0.00 0.18 0.00 0.30 0.00 0.00 27.48 28.20 2i4g h GLN 1696CO -0.00 0.00 0.15 0.00 -0.67 0.00 0.00 178.83 178.30 2i4g n ALA 1697N -1.94 -0.26 -3.82 3.87 0.00 -0.42 -1.94 120.51 116.01 2i4g n ALA 1697Ca 0.02 -0.25 -0.25 0.00 0.00 0.00 0.00 53.44 52.96 2i4g n ALA 1697Cb 0.47 -2.15 0.02 0.00 0.00 0.00 0.00 19.45 17.80 2i4g n ALA 1697CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2i4g n ASP 1698N -2.15 -2.45 -3.35 0.00 10.43 -1.26 -2.08 116.55 115.69 2i4g n ASP 1698Ca 0.13 -0.83 -0.19 0.00 2.57 0.00 0.00 54.79 56.47 2i4g n ASP 1698Cb 0.50 -3.84 0.06 0.00 1.84 0.00 0.00 41.12 39.68 2i4g n ASP 1698CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2i4g n SER 1699N -2.96 -6.13 -2.19 -2.24 7.64 -1.23 -2.79 113.62 103.72 2i4g n SER 1699Ca -0.17 -0.77 -0.15 0.00 1.01 0.00 0.00 58.87 58.79 2i4g n SER 1699Cb 0.62 -4.82 -0.02 0.00 -1.01 0.00 0.00 64.21 58.97 2i4g n SER 1699CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2i4g n ASN 1700N -3.11 -4.51 -0.06 6.43 5.03 -0.82 -4.88 115.26 113.35 2i4g n ASN 1700Ca -0.09 0.18 -0.08 0.00 0.87 0.00 0.00 54.58 55.46 2i4g n ASN 1700Cb 0.62 -3.87 -0.02 0.00 -1.02 0.00 0.00 39.78 35.49 2i4g n ASN 1700CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 2i4g h TYR 1701N 0.00 -0.75 0.00 3.10 3.20 -1.24 0.59 116.97 121.88 2i4g h TYR 1701Ca -0.36 0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.38 2i4g h TYR 1701Cb 1.21 0.37 -0.03 0.00 1.54 0.00 0.00 36.73 39.82 2i4g h TYR 1701CO 0.60 -0.35 -0.87 -0.07 -1.64 0.00 0.00 178.16 175.83 2i4g h LEU 1702N -0.28 0.00 0.18 2.82 3.38 -1.77 -2.52 115.31 117.13 2i4g h LEU 1702Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2i4g h LEU 1702Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2i4g h LEU 1702CO -0.42 0.87 -0.11 0.25 0.09 0.00 0.00 178.44 179.12 2i4g h LEU 1703N 0.00 -0.28 -1.10 1.67 6.46 -0.80 -1.29 115.31 119.97 2i4g h LEU 1703Ca -0.01 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.79 2i4g h LEU 1703Cb 1.66 0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 41.63 2i4g h LEU 1703CO 0.11 -0.19 0.61 0.28 -0.62 0.00 0.00 178.44 178.64 2i4g h SER 1704N -0.29 1.04 -0.37 1.25 0.02 -0.86 -0.18 113.55 114.17 2i4g h SER 1704Ca -0.02 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 2i4g h SER 1704Cb 0.24 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2i4g h SER 1704CO 0.02 0.74 0.06 0.11 -1.14 0.00 0.00 176.83 176.62 2i4g h LYS 1705N 1.22 0.61 -0.06 3.45 1.79 -1.29 -1.12 116.57 121.18 2i4g h LYS 1705Ca 0.34 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.65 2i4g h LYS 1705Cb -0.10 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.47 2i4g h LYS 1705CO -0.08 0.68 0.03 1.49 -1.08 0.00 0.00 179.45 180.48 2i4g h GLU 1706N 0.46 0.08 -0.97 3.15 4.81 -0.88 -2.82 114.58 118.41 2i4g h GLU 1706Ca 0.11 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.45 2i4g h GLU 1706Cb 0.36 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.65 2i4g h GLU 1706CO 0.01 0.17 0.61 -0.92 -0.73 0.00 0.00 179.01 178.15 2i4g h TYR 1707N -0.03 1.05 0.00 0.92 3.20 -0.97 -2.12 116.97 119.02 2i4g h TYR 1707Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2i4g h TYR 1707Cb 0.12 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.05 2i4g h TYR 1707CO -0.03 0.41 0.00 0.93 -1.64 0.00 0.00 178.16 177.83 2i4g h GLU 1708N 0.91 0.00 0.00 1.82 4.39 -0.96 -2.38 114.58 118.37 2i4g h GLU 1708Ca 0.48 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.15 2i4g h GLU 1708Cb 0.54 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2i4g h GLU 1708CO -0.24 0.00 -0.14 0.93 -1.16 0.00 0.00 179.01 178.40 2i4g h GLU 1709N 0.00 0.00 -0.00 2.33 5.08 -1.19 -2.45 114.58 118.35 2i4g h GLU 1709Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2i4g h GLU 1709Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2i4g h GLU 1709CO 0.00 0.14 -0.24 1.28 -1.00 0.00 0.00 179.01 179.19 2i4g n LEU 1710N -3.52 0.28 -0.24 1.33 4.77 -0.89 -4.49 117.00 114.24 2i4g n LEU 1710Ca -0.01 0.22 0.02 0.00 -0.03 0.00 0.00 56.01 56.21 2i4g n LEU 1710Cb 0.29 -0.35 0.14 0.00 -2.33 0.00 0.00 43.42 41.17 2i4g n LEU 1710CO 0.30 0.07 1.03 0.50 -1.33 0.00 0.00 177.39 177.96 2i4g h LYS 1711N 0.06 0.50 -0.33 3.23 3.64 -1.53 -2.41 116.57 119.74 2i4g h LYS 1711Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2i4g h LYS 1711Cb 0.49 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2i4g h LYS 1711CO 0.00 0.33 0.00 -0.25 -2.27 0.00 0.00 179.45 177.26 2i4g n ASP 1712N -4.93 2.92 -4.74 4.20 10.43 -1.26 -4.93 116.55 118.24 2i4g n ASP 1712Ca 0.11 -1.92 -0.42 0.00 2.57 0.00 0.00 54.79 55.14 2i4g n ASP 1712Cb 0.31 -0.21 -0.02 0.00 1.84 0.00 0.00 41.12 43.03 2i4g n ASP 1712CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2i4g s VAL 1713N -1.57 2.24 0.00 2.53 1.01 -0.91 -1.92 120.40 121.78 2i4g s VAL 1713Ca 0.37 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.54 2i4g s VAL 1713Cb 0.21 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.47 2i4g s VAL 1713CO 0.30 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2i4g n GLY 1714N 2.65 2.16 0.41 4.51 0.00 -1.26 -4.64 105.19 109.03 2i4g n GLY 1714Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 2i4g n GLY 1714CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i4g n ARG 1715N -2.00 1.54 0.00 1.61 5.12 -0.81 -2.54 116.66 119.58 2i4g n ARG 1715Ca 0.00 -0.81 0.14 0.00 -1.93 0.00 0.00 57.85 55.25 2i4g n ARG 1715Cb 0.00 -1.38 0.76 0.00 -1.16 0.00 0.00 32.46 30.67 2i4g n ARG 1715CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2i4g n ASN 1716N 0.03 0.00 -4.87 0.55 6.94 -1.26 -4.93 115.26 111.72 2i4g n ASN 1716Ca 0.16 -0.37 -0.33 0.00 -0.02 0.00 0.00 54.58 54.02 2i4g n ASN 1716Cb 0.27 -0.19 -0.05 0.00 -2.36 0.00 0.00 39.78 37.44 2i4g n ASN 1716CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2i4g s GLN 1717N -2.38 3.33 0.26 -3.83 -0.21 -1.05 -5.09 119.66 110.68 2i4g s GLN 1717Ca 0.32 -0.36 -0.12 0.00 0.02 0.00 0.00 55.36 55.21 2i4g s GLN 1717Cb 0.19 -3.03 -0.08 0.00 1.00 0.00 0.00 33.01 31.09 2i4g s GLN 1717CO 0.40 0.67 0.63 -1.54 -2.12 0.00 0.00 175.29 173.32 2i4g s SER 1718N -1.85 6.72 -0.43 5.90 1.04 -1.26 -4.96 113.70 118.86 2i4g s SER 1718Ca 0.26 1.09 0.07 0.00 0.48 0.00 0.00 55.95 57.85 2i4g s SER 1718Cb -0.12 -2.29 0.42 0.00 0.10 0.00 0.00 66.02 64.12 2i4g s SER 1718CO 0.17 -0.10 1.07 0.00 0.98 0.00 0.00 173.24 175.36 2i4g h ASP 1720N 2.67 0.56 -0.31 0.00 3.32 -1.95 -2.68 116.42 118.03 2i4g h ASP 1720Ca 0.22 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 2i4g h ASP 1720Cb 0.94 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 2i4g h ASP 1720CO 0.79 0.87 -0.10 0.40 -1.72 0.00 0.00 179.24 179.48 2i4g h ILE 1721N 0.45 1.28 -0.05 0.35 1.08 -1.91 -2.51 117.51 116.20 2i4g h ILE 1721Ca 0.05 -1.16 0.01 0.00 -0.39 0.00 0.00 64.86 63.38 2i4g h ILE 1721Cb 0.83 1.39 -0.00 0.00 -3.07 0.00 0.00 36.82 35.96 2i4g h ILE 1721CO 0.07 0.37 0.05 0.00 -0.69 0.00 0.00 178.15 177.95 2i4g h ALA 1722N 0.79 1.65 -0.00 1.87 0.00 -1.81 -2.08 119.26 119.68 2i4g h ALA 1722Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2i4g h ALA 1722Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2i4g h ALA 1722CO 0.03 -0.08 -0.30 1.28 0.00 0.00 0.00 179.25 180.19 2i4g n LEU 1723N -3.92 0.51 -4.72 0.00 4.77 -0.97 -4.65 117.00 108.03 2i4g n LEU 1723Ca -0.02 0.03 -0.43 0.00 -0.03 0.00 0.00 56.01 55.57 2i4g n LEU 1723Cb 0.14 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 2i4g n LEU 1723CO 0.28 0.11 1.09 0.18 -1.33 0.00 0.00 177.39 177.72 2i4g n LEU 1724N -1.23 3.85 0.06 2.23 4.77 -0.78 -4.86 117.00 121.04 2i4g n LEU 1724Ca 0.09 1.17 0.11 0.00 -0.03 0.00 0.00 56.01 57.35 2i4g n LEU 1724Cb 0.33 -1.52 0.57 0.00 -2.33 0.00 0.00 43.42 40.47 2i4g n LEU 1724CO 0.30 -0.18 1.14 1.55 -1.33 0.00 0.00 177.39 178.87 2i4g h PRO 1725N 3.91 0.21 0.00 3.23 0.13 -1.91 0.62 132.00 138.19 2i4g h PRO 1725Ca -0.47 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2i4g h PRO 1725Cb 1.25 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2i4g h PRO 1725CO 0.73 0.14 -0.05 0.93 -0.23 0.00 0.00 178.00 179.52 2i4g h GLU 1726N 0.21 0.00 -0.02 0.86 3.07 -1.95 -2.35 114.58 114.40 2i4g h GLU 1726Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 2i4g h GLU 1726Cb 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 2i4g h GLU 1726CO -0.03 0.05 -0.10 0.09 -1.40 0.00 0.00 179.01 177.61 2i4g n ASN 1727N -3.39 1.90 -0.29 1.42 3.02 0.21 -4.65 115.26 113.47 2i4g n ASN 1727Ca -0.02 -1.53 -0.05 0.00 -0.03 0.00 0.00 54.58 52.96 2i4g n ASN 1727Cb 0.18 0.08 0.07 0.00 -0.61 0.00 0.00 39.78 39.50 2i4g n ASN 1727CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2i4g h ARG 1728N 2.81 1.09 0.00 3.52 2.43 -1.40 -0.12 114.38 122.71 2i4g h ARG 1728Ca 0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2i4g h ARG 1728Cb 0.67 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2i4g h ARG 1728CO 0.00 0.78 0.00 0.41 -1.51 0.00 0.00 179.97 179.65 2i4g n GLY 1729N -1.17 -0.93 0.07 2.80 0.00 -1.26 -2.34 105.19 102.35 2i4g n GLY 1729Ca 0.08 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.11 2i4g n GLY 1729CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i4g n LYS 1730N -1.20 0.24 -3.75 1.61 5.02 -0.06 -4.81 118.16 115.20 2i4g n LYS 1730Ca 0.12 -0.13 -0.37 0.00 -2.02 0.00 0.00 58.31 55.91 2i4g n LYS 1730Cb 0.15 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.54 2i4g n LYS 1730CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2i4g s ASN 1731N -2.85 5.43 0.11 4.39 0.01 -0.99 -4.54 114.94 116.49 2i4g s ASN 1731Ca 0.15 -0.12 -0.21 0.00 -0.71 0.00 0.00 52.86 51.97 2i4g s ASN 1731Cb 0.18 -1.98 -0.11 0.00 0.41 0.00 0.00 41.25 39.75 2i4g s ASN 1731CO 0.64 -0.01 1.76 -0.09 -1.51 0.00 0.00 177.10 177.89 2i4g h ARG 1732N 8.04 0.12 -5.02 -0.60 2.43 -1.87 -3.40 114.38 114.08 2i4g h ARG 1732Ca -0.37 -0.01 -0.67 0.00 -0.81 0.00 0.00 59.98 58.12 2i4g h ARG 1732Cb 1.18 -0.03 -0.33 0.00 -0.42 0.00 0.00 29.97 30.38 2i4g h ARG 1732CO 0.59 0.08 -0.81 0.71 -1.51 0.00 0.00 179.97 179.03 2i4g s TYR 1733N -6.18 2.87 -0.50 2.20 2.02 -1.26 -4.99 117.35 111.50 2i4g s TYR 1733Ca -0.13 -1.44 0.23 0.00 -0.37 0.00 0.00 57.07 55.36 2i4g s TYR 1733Cb 0.07 -1.99 0.97 0.00 -0.40 0.00 0.00 41.96 40.61 2i4g s TYR 1733CO 0.67 -0.73 1.70 0.09 -1.57 0.00 0.00 175.55 175.72 2i4g n ASN 1734N 4.67 0.64 -0.74 2.29 3.02 -1.26 -1.41 115.26 122.48 2i4g n ASN 1734Ca -0.20 0.66 0.13 0.00 -0.03 0.00 0.00 54.58 55.14 2i4g n ASN 1734Cb 0.50 -0.80 0.28 0.00 -0.61 0.00 0.00 39.78 39.16 2i4g n ASN 1734CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2i4g n ASN 1735N -2.21 2.32 -4.02 6.41 6.94 -1.26 -4.74 115.26 118.69 2i4g n ASN 1735Ca 0.02 -1.77 -0.31 0.00 -0.02 0.00 0.00 54.58 52.50 2i4g n ASN 1735Cb 0.23 0.01 -0.14 0.00 -2.36 0.00 0.00 39.78 37.51 2i4g n ASN 1735CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2i4g s ILE 1736N -2.01 2.43 0.06 1.53 -1.09 -0.50 -5.09 121.20 116.54 2i4g s ILE 1736Ca 0.32 -2.46 0.05 0.00 -2.23 0.00 0.00 60.65 56.33 2i4g s ILE 1736Cb 0.20 -2.77 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 2i4g s ILE 1736CO 0.32 -0.64 -0.15 -0.76 -1.23 0.00 0.00 174.94 172.48 2i4g s LEU 1737N 0.75 2.25 0.27 2.97 1.43 -1.26 -4.68 118.68 120.41 2i4g s LEU 1737Ca 0.12 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.35 2i4g s LEU 1737Cb -0.20 -0.58 -0.09 0.00 0.03 0.00 0.00 46.19 45.35 2i4g s LEU 1737CO -0.07 -0.03 1.09 -2.16 0.23 0.00 0.00 176.35 175.41 2i4g s PRO 1738N -1.57 4.65 0.35 1.29 0.04 -1.26 -4.63 135.00 133.87 2i4g s PRO 1738Ca -0.00 1.78 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 2i4g s PRO 1738Cb -0.09 -3.20 -0.12 0.00 0.04 0.00 0.00 34.50 31.13 2i4g s PRO 1738CO 0.02 0.22 1.45 0.66 0.04 0.00 0.00 177.00 179.39 2i4g n TYR 1739N 1.27 2.74 -0.31 0.56 4.01 -1.26 -4.56 117.16 119.61 2i4g n TYR 1739Ca -0.01 0.44 0.11 0.00 -0.16 0.00 0.00 57.90 58.28 2i4g n TYR 1739Cb 0.45 -2.51 0.28 0.00 -0.31 0.00 0.00 39.34 37.25 2i4g n TYR 1739CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2i4g h ASP 1740N 3.22 0.51 0.37 7.72 3.32 -1.36 -1.90 116.42 128.29 2i4g h ASP 1740Ca -0.49 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.66 2i4g h ASP 1740Cb 1.25 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 2i4g h ASP 1740CO 0.67 0.14 -0.12 0.00 -1.72 0.00 0.00 179.24 178.21 2i4g h ALA 1741N 1.64 1.30 0.00 3.45 0.00 -1.92 -3.20 119.26 120.53 2i4g h ALA 1741Ca 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2i4g h ALA 1741Cb 0.87 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2i4g h ALA 1741CO -0.43 0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.22 2i4g n THR 1742N -3.66 0.52 -2.16 0.00 -2.24 -1.01 -5.07 114.28 100.66 2i4g n THR 1742Ca -0.02 -0.53 -0.36 0.00 -2.27 0.00 0.00 64.05 60.88 2i4g n THR 1742Cb 0.24 0.76 0.01 0.00 -2.10 0.00 0.00 70.33 69.24 2i4g n THR 1742CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i4g s ARG 1743N -0.52 3.26 -0.01 -0.78 1.70 -0.75 -0.79 118.95 121.06 2i4g s ARG 1743Ca 0.00 1.73 -0.27 0.00 -0.47 0.00 0.00 55.73 56.72 2i4g s ARG 1743Cb 0.00 -2.03 -0.04 0.00 -0.57 0.00 0.00 34.95 32.31 2i4g s ARG 1743CO 0.00 -0.95 0.86 0.08 -1.08 0.00 0.00 175.30 174.21 2i4g s VAL 1744N -1.66 4.89 -0.13 4.99 1.01 -0.47 -4.76 120.40 124.26 2i4g s VAL 1744Ca 0.73 1.80 -0.03 0.00 0.00 0.00 0.00 61.98 64.48 2i4g s VAL 1744Cb -0.27 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 2i4g s VAL 1744CO 0.31 0.23 -0.02 -0.54 0.00 0.00 0.00 175.10 175.08 2i4g s LYS 1745N 0.75 3.45 0.44 2.72 1.02 -1.26 -4.08 119.74 122.77 2i4g s LYS 1745Ca 0.45 -0.47 -0.17 0.00 0.02 0.00 0.00 55.97 55.81 2i4g s LYS 1745Cb -0.20 -2.89 -0.09 0.00 -0.52 0.00 0.00 37.83 34.13 2i4g s LYS 1745CO 0.24 0.41 0.90 -0.51 -0.92 0.00 0.00 175.35 175.47 2i4g s LEU 1746N -0.08 3.83 0.50 3.17 1.43 0.37 -5.04 118.68 122.85 2i4g s LEU 1746Ca 0.03 1.48 -0.22 0.00 -1.03 0.00 0.00 54.13 54.39 2i4g s LEU 1746Cb -0.13 -4.36 -0.08 0.00 0.03 0.00 0.00 46.19 41.65 2i4g s LEU 1746CO 0.02 -0.42 1.14 -1.54 0.23 0.00 0.00 176.35 175.78 2i4g n SER 1747N -1.05 1.77 -4.76 2.29 3.41 -1.26 -4.38 113.62 109.64 2i4g n SER 1747Ca 0.05 0.98 -0.41 0.00 -0.26 0.00 0.00 58.87 59.23 2i4g n SER 1747Cb 0.54 -1.45 -0.01 0.00 -0.26 0.00 0.00 64.21 63.03 2i4g n SER 1747CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2i4g n ASN 1748N -0.22 3.81 -0.08 4.04 4.13 -1.26 -4.51 115.26 121.16 2i4g n ASN 1748Ca 0.10 1.18 -0.14 0.00 1.68 0.00 0.00 54.58 57.41 2i4g n ASN 1748Cb 0.43 -1.60 -0.06 0.00 -1.54 0.00 0.00 39.78 37.00 2i4g n ASN 1748CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2i4g n VAL 1749N 1.37 0.88 0.00 2.41 0.31 -1.26 -5.04 118.33 116.99 2i4g n VAL 1749Ca 0.05 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2i4g n VAL 1749Cb 0.38 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 2i4g n VAL 1749CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2i4g h SER 1755N 0.00 0.00 0.63 0.00 4.64 -1.96 -2.73 113.55 114.13 2i4g h SER 1755Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2i4g h SER 1755Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2i4g h SER 1755CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 2i4g n ASP 1756N -2.84 0.00 -4.73 4.97 5.68 -1.26 -4.73 116.55 113.64 2i4g n ASP 1756Ca -0.01 0.35 -0.40 0.00 -0.50 0.00 0.00 54.79 54.23 2i4g n ASP 1756Cb 0.13 -0.44 -0.05 0.00 -1.14 0.00 0.00 41.12 39.62 2i4g n ASP 1756CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2i4g s TYR 1757N -2.88 3.62 0.03 2.11 5.04 -1.03 -0.48 117.35 123.76 2i4g s TYR 1757Ca 0.13 1.28 -0.01 0.00 -2.44 0.00 0.00 57.07 56.04 2i4g s TYR 1757Cb 0.14 -2.79 -0.02 0.00 0.35 0.00 0.00 41.96 39.64 2i4g s TYR 1757CO 0.37 0.15 -0.02 -1.50 -1.34 0.00 0.00 175.55 173.21 2i4g s ILE 1758N 0.54 0.13 -1.06 3.14 2.07 -1.26 -4.89 121.20 119.87 2i4g s ILE 1758Ca 0.37 -1.10 -0.20 0.00 -1.41 0.00 0.00 60.65 58.31 2i4g s ILE 1758Cb -0.18 -0.56 0.09 0.00 0.13 0.00 0.00 42.46 41.94 2i4g s ILE 1758CO 0.19 -0.61 1.39 0.21 -1.91 0.00 0.00 174.94 174.21 2i4g s ASN 1759N -1.80 6.66 0.02 4.50 3.84 -1.26 -4.65 114.94 122.25 2i4g s ASN 1759Ca -0.11 -1.98 -0.28 0.00 0.21 0.00 0.00 52.86 50.71 2i4g s ASN 1759Cb -0.06 -2.50 0.07 0.00 -0.55 0.00 0.00 41.25 38.22 2i4g s ASN 1759CO -0.03 -1.23 0.67 0.00 -2.79 0.00 0.00 177.10 173.72 2i4g s ALA 1760N 3.74 -1.72 -0.00 1.71 0.00 -1.26 -2.91 121.76 121.32 2i4g s ALA 1760Ca 0.43 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.42 2i4g s ALA 1760Cb -0.01 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.41 2i4g s ALA 1760CO -0.06 -0.52 -0.01 -1.12 0.00 0.00 0.00 175.76 174.05 2i4g s SER 1761N -1.78 0.16 0.27 0.00 0.01 0.83 -1.37 113.70 111.82 2i4g s SER 1761Ca -0.06 -0.02 -0.25 0.00 1.31 0.00 0.00 55.95 56.93 2i4g s SER 1761Cb -0.00 -0.03 -0.09 0.00 0.21 0.00 0.00 66.02 66.11 2i4g s SER 1761CO 0.01 0.01 0.87 -0.31 0.41 0.00 0.00 173.24 174.23 2i4g s TYR 1762N 0.05 3.75 -0.22 2.43 2.02 0.03 -0.91 117.35 124.50 2i4g s TYR 1762Ca -0.00 1.69 0.02 0.00 -0.37 0.00 0.00 57.07 58.41 2i4g s TYR 1762Cb -0.02 -2.84 0.04 0.00 -0.40 0.00 0.00 41.96 38.74 2i4g s TYR 1762CO -0.00 0.31 -0.15 0.42 -1.57 0.00 0.00 175.55 174.56 2i4g s ILE 1763N -1.48 2.19 0.62 2.71 -1.09 -0.40 -4.87 121.20 118.88 2i4g s ILE 1763Ca 0.46 -1.23 -0.14 0.00 -2.23 0.00 0.00 60.65 57.50 2i4g s ILE 1763Cb -0.20 -2.09 -0.03 0.00 -1.58 0.00 0.00 42.46 38.56 2i4g s ILE 1763CO 0.25 0.27 1.05 -2.16 -1.23 0.00 0.00 174.94 173.12 2i4g s PRO 1764N 1.22 3.27 0.71 2.79 0.04 -1.26 -0.66 135.00 141.11 2i4g s PRO 1764Ca -0.01 1.08 -0.04 0.00 0.04 0.00 0.00 61.00 62.07 2i4g s PRO 1764Cb -0.16 -2.03 0.10 0.00 0.04 0.00 0.00 34.50 32.45 2i4g s PRO 1764CO -0.09 -0.84 1.00 0.20 0.04 0.00 0.00 177.00 177.31 2i4g s GLY 1765N -3.20 1.76 0.51 0.56 0.00 0.43 -4.61 107.32 102.76 2i4g s GLY 1765Ca 0.61 -1.37 0.21 0.00 0.00 0.00 0.00 44.72 44.17 2i4g s GLY 1765CO 0.43 -0.88 2.11 3.43 0.00 0.00 0.00 173.10 178.19 2i4g h ASN 1766N -0.57 0.00 0.00 1.64 -0.26 -1.99 -3.30 115.58 111.10 2i4g h ASN 1766Ca -0.41 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.33 2i4g h ASN 1766Cb 1.28 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.54 2i4g h ASN 1766CO 0.48 0.08 -1.27 0.59 -1.06 0.00 0.00 177.43 176.24 2i4g n ASN 1767N -4.16 3.31 -3.54 5.81 4.13 -1.26 -5.07 115.26 114.47 2i4g n ASN 1767Ca -0.03 -0.03 -0.08 0.00 1.68 0.00 0.00 54.58 56.12 2i4g n ASN 1767Cb 0.16 1.30 -0.02 0.00 -1.54 0.00 0.00 39.78 39.68 2i4g n ASN 1767CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2i4g s PHE 1768N -2.44 -0.35 0.88 3.10 2.19 -1.25 -5.17 117.98 114.94 2i4g s PHE 1768Ca -0.02 0.15 -0.11 0.00 0.33 0.00 0.00 56.93 57.28 2i4g s PHE 1768Cb 0.04 0.57 0.12 0.00 -1.31 0.00 0.00 43.02 42.45 2i4g s PHE 1768CO 0.28 -0.72 1.11 -0.98 1.83 0.00 0.00 175.22 176.75 2i4g s ARG 1769N -3.37 1.35 -1.27 10.12 1.70 -1.26 -0.43 118.95 125.79 2i4g s ARG 1769Ca 0.05 1.23 -0.02 0.00 -0.47 0.00 0.00 55.73 56.53 2i4g s ARG 1769Cb -0.01 -1.79 0.01 0.00 -0.57 0.00 0.00 34.95 32.58 2i4g s ARG 1769CO -0.07 -2.30 0.90 0.54 -1.08 0.00 0.00 175.30 173.29 2i4g n ARG 1770N -3.97 -6.00 0.05 3.89 1.74 -1.25 -4.55 116.66 106.57 2i4g n ARG 1770Ca 0.09 0.74 -0.14 0.00 -0.77 0.00 0.00 57.85 57.77 2i4g n ARG 1770Cb 0.53 -5.58 -0.05 0.00 -1.02 0.00 0.00 32.46 26.35 2i4g n ARG 1770CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2i4g h GLU 1771N -1.97 0.51 -5.83 5.56 4.81 -1.08 -3.34 114.58 113.23 2i4g h GLU 1771Ca -0.60 -0.51 -0.50 0.00 -0.13 0.00 0.00 59.36 57.63 2i4g h GLU 1771Cb 1.35 0.13 -0.19 0.00 0.63 0.00 0.00 28.75 30.68 2i4g h GLU 1771CO 0.54 1.14 -0.79 0.71 -0.73 0.00 0.00 179.01 179.89 2i4g s TYR 1772N -3.39 1.68 -0.18 0.92 1.51 -0.73 -1.75 117.35 115.41 2i4g s TYR 1772Ca -0.07 -0.48 -0.01 0.00 -1.01 0.00 0.00 57.07 55.51 2i4g s TYR 1772Cb 0.09 -0.87 0.00 0.00 -0.11 0.00 0.00 41.96 41.07 2i4g s TYR 1772CO 0.88 0.24 -0.14 0.42 -1.11 0.00 0.00 175.55 175.84 2i4g s ILE 1773N -1.82 2.63 -0.11 2.71 1.01 -0.39 -1.27 121.20 123.96 2i4g s ILE 1773Ca 0.11 -0.76 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 2i4g s ILE 1773Cb -0.07 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 2i4g s ILE 1773CO 0.05 0.50 0.31 -0.69 0.00 0.00 0.00 174.94 175.11 2i4g s VAL 1774N 1.19 5.26 0.16 2.92 1.01 -0.09 -0.80 120.40 130.05 2i4g s VAL 1774Ca 0.02 0.59 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 2i4g s VAL 1774Cb -0.14 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2i4g s VAL 1774CO -0.06 0.47 0.14 0.28 0.00 0.00 0.00 175.10 175.93 2i4g s THR 1775N -0.16 0.07 0.74 3.92 -1.32 -0.93 -0.12 115.64 117.83 2i4g s THR 1775Ca 0.19 -1.80 -0.11 0.00 -1.21 0.00 0.00 61.69 58.76 2i4g s THR 1775Cb -0.14 -2.11 0.03 0.00 -1.51 0.00 0.00 72.50 68.78 2i4g s THR 1775CO 0.07 -0.31 1.08 0.00 -2.21 0.00 0.00 174.62 173.24 2i4g s GLN 1776N -4.05 2.61 0.04 7.08 -2.07 -1.15 -3.53 119.66 118.58 2i4g s GLN 1776Ca 0.26 0.78 -0.31 0.00 -1.82 0.00 0.00 55.36 54.27 2i4g s GLN 1776Cb 0.06 -1.97 -0.10 0.00 -1.09 0.00 0.00 33.01 29.92 2i4g s GLN 1776CO 0.04 -1.29 1.92 0.41 -1.32 0.00 0.00 175.29 175.05 2i4g n GLY 1777N -2.13 1.74 3.60 2.60 0.00 0.52 -4.84 105.19 106.68 2i4g n GLY 1777Ca 0.07 0.80 -0.42 0.00 0.00 0.00 0.00 46.02 46.47 2i4g n GLY 1777CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2i4g n PRO 1778N 6.84 1.33 -3.28 1.61 -0.02 -1.26 -4.70 135.00 135.51 2i4g n PRO 1778Ca 0.20 0.48 -0.25 0.00 -2.02 0.00 0.00 63.50 61.91 2i4g n PRO 1778Cb 0.38 -2.00 -0.01 0.00 -0.02 0.00 0.00 33.50 31.84 2i4g n PRO 1778CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2i4g s LEU 1779N -0.33 3.97 0.28 2.45 1.43 -1.26 -1.48 118.68 123.74 2i4g s LEU 1779Ca 0.62 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 54.29 2i4g s LEU 1779Cb -0.57 -3.41 0.65 0.00 0.03 0.00 0.00 46.19 42.89 2i4g s LEU 1779CO 0.57 -0.31 1.76 -0.65 0.23 0.00 0.00 176.35 177.95 2i4g h PRO 1780N 0.82 0.64 -0.00 1.29 0.11 -1.96 -0.81 132.00 132.09 2i4g h PRO 1780Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2i4g h PRO 1780Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2i4g h PRO 1780CO 0.62 0.43 -0.02 0.41 -0.21 0.00 0.00 178.00 179.23 2i4g n GLY 1781N -1.33 -1.09 0.00 -0.55 0.00 -1.26 -3.80 105.19 97.17 2i4g n GLY 1781Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2i4g n GLY 1781CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2i4g n THR 1782N -1.09 0.12 -0.03 2.61 -2.24 -0.44 -4.77 114.28 108.45 2i4g n THR 1782Ca 0.18 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2i4g n THR 1782Cb 0.21 0.95 0.31 0.00 -2.10 0.00 0.00 70.33 69.70 2i4g n THR 1782CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2i4g h LYS 1783N 0.00 0.60 -0.68 -0.78 2.10 -1.30 0.84 116.57 117.35 2i4g h LYS 1783Ca 0.00 -0.10 -0.06 0.00 -2.00 0.00 0.00 60.65 58.49 2i4g h LYS 1783Cb 0.07 -0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 31.27 2i4g h LYS 1783CO 0.00 0.54 0.18 -0.44 -2.00 0.00 0.00 179.45 177.73 2i4g h ASP 1784N 0.59 1.00 -0.73 7.07 3.32 -1.86 -1.18 116.42 124.63 2i4g h ASP 1784Ca 0.14 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 2i4g h ASP 1784Cb 0.22 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2i4g h ASP 1784CO -0.00 0.95 0.30 0.44 -1.72 0.00 0.00 179.24 179.21 2i4g h ASP 1785N 1.01 1.01 -0.41 6.45 3.32 -1.57 -0.30 116.42 125.94 2i4g h ASP 1785Ca 0.22 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 2i4g h ASP 1785Cb 0.34 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2i4g h ASP 1785CO -0.00 0.89 0.10 0.15 -1.72 0.00 0.00 179.24 178.66 2i4g h PHE 1786N 1.08 0.70 -0.07 4.55 3.57 -0.38 -0.46 116.94 125.92 2i4g h PHE 1786Ca 0.25 -0.08 -0.18 0.00 3.53 0.00 0.00 57.97 61.49 2i4g h PHE 1786Cb 0.20 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2i4g h PHE 1786CO 0.02 0.66 -0.73 -1.49 -2.23 0.00 0.00 178.31 174.54 2i4g h TRP 1787N 0.53 0.48 -0.44 0.41 4.06 -0.92 -1.53 115.95 118.54 2i4g h TRP 1787Ca 0.13 -0.21 0.08 0.00 2.06 0.00 0.00 58.89 60.94 2i4g h TRP 1787Cb 0.32 -0.07 -0.06 0.00 -1.00 0.00 0.00 29.16 28.34 2i4g h TRP 1787CO 0.02 0.96 0.06 -0.22 -3.56 0.00 0.00 178.44 175.70 2i4g h LYS 1788N 0.24 0.18 -0.50 0.49 3.64 -0.86 -0.65 116.57 119.12 2i4g h LYS 1788Ca -0.03 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2i4g h LYS 1788Cb 1.30 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 2i4g h LYS 1788CO 0.12 0.12 0.31 1.98 -2.27 0.00 0.00 179.45 179.71 2i4g h MET 1789N 0.19 0.61 -0.94 1.90 4.05 -0.55 0.11 114.93 120.29 2i4g h MET 1789Ca 0.22 -0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.62 2i4g h MET 1789Cb 0.29 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 30.91 2i4g h MET 1789CO -0.31 0.40 0.62 0.28 0.23 0.00 0.00 176.91 178.13 2i4g h VAL 1790N 0.63 1.20 0.13 -5.77 2.07 -1.00 -0.37 116.25 113.14 2i4g h VAL 1790Ca 0.19 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2i4g h VAL 1790Cb -0.02 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.61 2i4g h VAL 1790CO -0.07 0.23 -0.06 -0.25 0.02 0.00 0.00 177.57 177.44 2i4g h TRP 1791N 1.24 -0.16 -0.03 1.57 2.91 -0.76 -2.04 115.95 118.67 2i4g h TRP 1791Ca 0.36 -0.00 -0.08 0.00 1.13 0.00 0.00 58.89 60.29 2i4g h TRP 1791Cb -0.08 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 2i4g h TRP 1791CO -0.01 0.24 -0.36 0.93 -1.03 0.00 0.00 178.44 178.22 2i4g h GLU 1792N -0.61 0.06 -0.34 2.65 5.08 -0.51 -2.55 114.58 118.36 2i4g h GLU 1792Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2i4g h GLU 1792Cb 0.47 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2i4g h GLU 1792CO 0.03 0.41 0.00 1.04 -1.00 0.00 0.00 179.01 179.49 2i4g n GLN 1793N -4.10 1.93 -2.22 2.33 1.13 -0.17 -4.94 117.38 111.34 2i4g n GLN 1793Ca -0.02 -1.43 -0.20 0.00 -1.94 0.00 0.00 57.00 53.41 2i4g n GLN 1793Cb 0.40 -1.36 -0.02 0.00 0.11 0.00 0.00 30.24 29.37 2i4g n GLN 1793CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2i4g n ASN 1794N 0.66 -5.59 -4.71 1.08 3.02 -0.96 -4.25 115.26 104.51 2i4g n ASN 1794Ca 0.15 0.08 -0.42 0.00 -0.03 0.00 0.00 54.58 54.36 2i4g n ASN 1794Cb 0.36 -4.66 -0.03 0.00 -0.61 0.00 0.00 39.78 34.84 2i4g n ASN 1794CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2i4g s VAL 1795N -2.93 3.31 -0.65 2.41 1.01 -0.77 -3.61 120.40 119.16 2i4g s VAL 1795Ca 0.00 0.91 0.11 0.00 0.00 0.00 0.00 61.98 63.00 2i4g s VAL 1795Cb 0.00 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 2i4g s VAL 1795CO 0.00 0.06 0.52 1.41 0.00 0.00 0.00 175.10 177.09 2i4g n HIS 1796N 4.25 0.00 -3.83 5.22 8.25 -0.42 -4.83 115.22 123.85 2i4g n HIS 1796Ca 0.12 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.45 2i4g n HIS 1796Cb 0.42 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.39 2i4g n HIS 1796CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2i4g s ASN 1797N -1.90 0.02 -0.05 0.41 -0.87 -1.26 -0.77 114.94 110.52 2i4g s ASN 1797Ca 0.05 0.02 0.04 0.00 -1.57 0.00 0.00 52.86 51.41 2i4g s ASN 1797Cb 0.09 -0.01 -0.00 0.00 -0.02 0.00 0.00 41.25 41.30 2i4g s ASN 1797CO 0.41 -0.05 -0.17 -0.63 -2.57 0.00 0.00 177.10 174.10 2i4g s ILE 1798N 0.37 1.44 -0.17 0.60 1.01 -0.24 -1.52 121.20 122.68 2i4g s ILE 1798Ca -0.03 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.92 2i4g s ILE 1798Cb -0.04 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.19 2i4g s ILE 1798CO -0.01 0.42 -0.18 -0.69 0.00 0.00 0.00 174.94 174.47 2i4g s VAL 1799N 0.15 2.30 -0.19 2.92 1.01 0.10 -0.06 120.40 126.62 2i4g s VAL 1799Ca -0.06 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 2i4g s VAL 1799Cb -0.13 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.30 2i4g s VAL 1799CO 0.03 0.53 -0.13 -0.32 0.00 0.00 0.00 175.10 175.21 2i4g s MET 1800N 1.08 3.19 -0.32 2.72 0.00 0.36 -1.08 119.30 125.25 2i4g s MET 1800Ca -0.00 -0.73 0.09 0.00 0.00 0.00 0.00 55.69 55.04 2i4g s MET 1800Cb -0.14 -2.77 0.46 0.00 0.00 0.00 0.00 34.83 32.37 2i4g s MET 1800CO -0.06 -0.18 1.15 1.33 0.00 0.00 0.00 175.02 177.26 2i4g n VAL 1801N 4.63 2.31 -4.15 10.11 0.24 -0.22 -0.96 118.33 130.29 2i4g n VAL 1801Ca -0.20 -4.21 -0.11 0.00 -2.04 0.00 0.00 64.34 57.78 2i4g n VAL 1801Cb 0.51 -0.86 -0.10 0.00 -1.47 0.00 0.00 33.84 31.92 2i4g n VAL 1801CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2i4g s THR 1802N -4.69 0.67 0.48 3.34 -1.32 -1.26 -4.76 115.64 108.10 2i4g s THR 1802Ca 0.47 -1.80 -0.04 0.00 -1.21 0.00 0.00 61.69 59.11 2i4g s THR 1802Cb 0.40 -1.51 -0.03 0.00 -1.51 0.00 0.00 72.50 69.86 2i4g s THR 1802CO -0.02 -0.80 0.77 -1.10 -2.21 0.00 0.00 174.62 171.26 2i4g s GLN 1803N -3.47 3.40 0.23 7.08 -0.21 -1.26 -4.83 119.66 120.59 2i4g s GLN 1803Ca 0.08 0.05 -0.00 0.00 0.02 0.00 0.00 55.36 55.51 2i4g s GLN 1803Cb 0.03 -2.41 0.24 0.00 1.00 0.00 0.00 33.01 31.87 2i4g s GLN 1803CO -0.04 -0.25 1.59 0.00 -2.12 0.00 0.00 175.29 174.48 2i4g s VAL 1805N -4.15 1.23 -0.06 0.00 1.01 -1.26 0.77 120.40 117.93 2i4g s VAL 1805Ca -0.07 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 2i4g s VAL 1805Cb 0.12 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.46 2i4g s VAL 1805CO 0.82 0.36 0.06 -1.61 0.00 0.00 0.00 175.10 174.73 2i4g s GLU 1806N 0.23 -0.06 -1.58 2.72 2.02 -0.37 -4.83 118.70 116.83 2i4g s GLU 1806Ca -0.07 0.32 -0.13 0.00 0.02 0.00 0.00 54.97 55.12 2i4g s GLU 1806Cb -0.12 -0.69 0.10 0.00 0.10 0.00 0.00 34.13 33.52 2i4g s GLU 1806CO 0.02 -0.38 0.74 1.63 0.02 0.00 0.00 175.26 177.30 2i4g n LYS 1807N 5.30 -3.77 -0.82 1.61 5.02 -1.26 -1.98 118.16 122.26 2i4g n LYS 1807Ca -0.04 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2i4g n LYS 1807Cb 0.50 -5.05 0.00 0.00 -0.02 0.00 0.00 35.03 30.46 2i4g n LYS 1807CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2i4g n GLY 1808N -1.61 0.74 3.35 0.72 0.00 -1.26 -5.01 105.19 102.11 2i4g n GLY 1808Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 2i4g n GLY 1808CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2i4g s ARG 1809N -0.18 2.55 0.00 1.61 3.00 -0.84 -5.09 118.95 120.00 2i4g s ARG 1809Ca 0.00 -0.82 -0.30 0.00 -1.00 0.00 0.00 55.73 53.61 2i4g s ARG 1809Cb 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 34.95 32.65 2i4g s ARG 1809CO 0.00 0.47 1.10 0.08 0.00 0.00 0.00 175.30 176.95 2i4g s VAL 1810N -0.37 4.45 -0.01 7.11 1.01 -1.26 -1.23 120.40 130.09 2i4g s VAL 1810Ca 0.03 1.76 0.05 0.00 0.00 0.00 0.00 61.98 63.81 2i4g s VAL 1810Cb -0.12 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 2i4g s VAL 1810CO 0.02 0.10 0.10 0.29 0.00 0.00 0.00 175.10 175.61 2i4g n LYS 1811N 4.22 0.68 -3.64 2.72 4.76 0.23 -4.95 118.16 122.19 2i4g n LYS 1811Ca 0.08 -0.04 -0.09 0.00 -2.87 0.00 0.00 58.31 55.40 2i4g n LYS 1811Cb 0.48 -1.12 -0.07 0.00 -1.84 0.00 0.00 35.03 32.48 2i4g n LYS 1811CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i4g s ASP 1813N 0.54 5.75 -1.11 0.00 2.15 -0.55 -4.48 116.67 118.97 2i4g s ASP 1813Ca -0.00 1.94 -0.20 0.00 0.43 0.00 0.00 52.55 54.71 2i4g s ASP 1813Cb -0.05 -2.55 0.08 0.00 -0.30 0.00 0.00 42.92 40.11 2i4g s ASP 1813CO -0.08 -1.19 1.48 -2.28 -0.17 0.00 0.00 175.17 172.93 2i4g s HIS 1814N -2.22 2.82 -2.26 -5.34 5.65 -1.26 -4.80 115.29 107.87 2i4g s HIS 1814Ca 0.67 -1.32 0.20 0.00 0.25 0.00 0.00 55.06 54.85 2i4g s HIS 1814Cb -0.18 -4.60 0.59 0.00 -1.18 0.00 0.00 32.58 27.20 2i4g s HIS 1814CO 0.33 -1.76 1.46 2.48 -0.65 0.00 0.00 174.74 176.60 2i4g n TYR 1815N 7.98 0.36 -4.42 3.88 0.18 -1.26 -4.81 117.16 119.07 2i4g n TYR 1815Ca 0.37 -0.18 -0.24 0.00 1.88 0.00 0.00 57.90 59.73 2i4g n TYR 1815Cb 0.48 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.35 2i4g n TYR 1815CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2i4g s TRP 1816N -1.64 2.41 0.69 -3.48 -2.14 -1.26 -5.02 118.94 108.49 2i4g s TRP 1816Ca 0.33 -0.31 -0.17 0.00 2.66 0.00 0.00 56.10 58.61 2i4g s TRP 1816Cb 0.18 -1.07 0.01 0.00 -3.10 0.00 0.00 33.47 29.49 2i4g s TRP 1816CO 0.26 0.68 1.18 -2.30 -2.66 0.00 0.00 176.95 174.12 2i4g n PRO 1817N -0.71 0.79 0.20 3.25 -0.02 -1.26 -4.92 135.00 132.33 2i4g n PRO 1817Ca -0.05 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 61.87 2i4g n PRO 1817Cb 0.60 -2.42 0.13 0.00 -0.02 0.00 0.00 33.50 31.79 2i4g n PRO 1817CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2i4g h ALA 1818N 0.08 0.90 -2.73 3.55 0.00 -1.94 -3.48 119.26 115.64 2i4g h ALA 1818Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2i4g h ALA 1818Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2i4g h ALA 1818CO 0.50 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.37 2i4g n ASP 1819N -3.02 0.00 -0.61 0.00 5.68 -1.26 -5.05 116.55 112.28 2i4g n ASP 1819Ca 0.03 -0.50 0.09 0.00 -0.50 0.00 0.00 54.79 53.91 2i4g n ASP 1819Cb 0.54 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.82 2i4g n ASP 1819CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2i4g n GLN 1820N 0.00 1.78 -2.78 0.11 6.02 -1.26 -4.41 117.38 116.84 2i4g n GLN 1820Ca 0.00 -1.19 -0.41 0.00 -0.01 0.00 0.00 57.00 55.38 2i4g n GLN 1820Cb 0.00 -1.36 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 2i4g n GLN 1820CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2i4g s ASP 1821N -1.38 7.30 0.74 1.08 1.01 -1.26 -4.48 116.67 119.67 2i4g s ASP 1821Ca 0.30 1.57 -0.15 0.00 0.71 0.00 0.00 52.55 54.98 2i4g s ASP 1821Cb 0.16 -2.54 0.04 0.00 1.01 0.00 0.00 42.92 41.60 2i4g s ASP 1821CO 0.23 -0.21 1.22 -0.94 0.21 0.00 0.00 175.17 175.68 2i4g s SER 1822N 0.87 4.10 0.00 0.27 1.04 -1.26 -4.73 113.70 113.98 2i4g s SER 1822Ca 0.48 2.39 -0.15 0.00 0.48 0.00 0.00 55.95 59.16 2i4g s SER 1822Cb -0.20 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.35 2i4g s SER 1822CO 0.26 -2.33 0.32 -0.76 0.98 0.00 0.00 173.24 171.71 2i4g s LEU 1823N -5.19 0.79 0.10 2.42 1.43 -0.52 -4.99 118.68 112.73 2i4g s LEU 1823Ca 0.75 0.04 -0.25 0.00 -1.03 0.00 0.00 54.13 53.64 2i4g s LEU 1823Cb -0.30 1.35 -0.07 0.00 0.03 0.00 0.00 46.19 47.20 2i4g s LEU 1823CO 0.46 -0.50 0.77 -0.31 0.23 0.00 0.00 176.35 177.00 2i4g s TYR 1824N -1.65 3.81 -0.37 0.29 2.02 -1.26 -1.16 117.35 119.03 2i4g s TYR 1824Ca -0.11 1.55 0.01 0.00 -0.37 0.00 0.00 57.07 58.15 2i4g s TYR 1824Cb -0.04 -2.80 0.11 0.00 -0.40 0.00 0.00 41.96 38.83 2i4g s TYR 1824CO 0.03 0.38 0.12 0.71 -1.57 0.00 0.00 175.55 175.21 2i4g s TYR 1825N -0.54 3.68 0.00 2.71 2.02 0.77 -4.98 117.35 121.02 2i4g s TYR 1825Ca 0.37 -2.80 0.00 0.00 -0.37 0.00 0.00 57.07 54.27 2i4g s TYR 1825Cb -0.22 -3.04 0.00 0.00 -0.40 0.00 0.00 41.96 38.31 2i4g s TYR 1825CO 0.24 -0.95 0.00 0.41 -1.57 0.00 0.00 175.55 173.68 2i4g n GLY 1826N 4.33 3.12 2.00 0.71 0.00 -1.26 -1.93 105.19 112.16 2i4g n GLY 1826Ca 0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 2i4g n GLY 1826CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2i4g n ASP 1827N 5.81 4.93 -4.40 1.61 5.68 -1.26 -4.88 116.55 124.04 2i4g n ASP 1827Ca 0.00 -3.17 -0.33 0.00 -0.50 0.00 0.00 54.79 50.79 2i4g n ASP 1827Cb 0.00 -0.74 -0.14 0.00 -1.14 0.00 0.00 41.12 39.10 2i4g n ASP 1827CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2i4g s LEU 1828N -2.92 2.75 -0.09 -2.12 0.20 -0.81 -4.32 118.68 111.38 2i4g s LEU 1828Ca 0.55 -0.29 -0.05 0.00 0.69 0.00 0.00 54.13 55.03 2i4g s LEU 1828Cb 0.43 -1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 44.55 2i4g s LEU 1828CO 0.14 0.21 0.13 -0.51 -0.29 0.00 0.00 176.35 176.02 2i4g s ILE 1829N 0.11 5.32 0.02 6.68 1.10 -0.43 -0.16 121.20 133.84 2i4g s ILE 1829Ca -0.06 0.06 0.02 0.00 -0.51 0.00 0.00 60.65 60.16 2i4g s ILE 1829Cb -0.15 -3.35 -0.01 0.00 0.15 0.00 0.00 42.46 39.10 2i4g s ILE 1829CO 0.05 0.55 -0.07 -0.22 -2.11 0.00 0.00 174.94 173.13 2i4g s LEU 1830N -1.23 2.13 -0.07 8.50 0.20 -0.31 -1.81 118.68 126.09 2i4g s LEU 1830Ca 0.18 -0.33 -0.03 0.00 0.69 0.00 0.00 54.13 54.64 2i4g s LEU 1830Cb -0.12 -0.27 0.04 0.00 -0.43 0.00 0.00 46.19 45.41 2i4g s LEU 1830CO 0.07 -0.05 0.15 -1.58 -0.29 0.00 0.00 176.35 174.65 2i4g s GLN 1831N -0.86 0.08 -0.15 1.98 0.74 -0.14 -1.44 119.66 119.86 2i4g s GLN 1831Ca -0.03 0.41 -0.28 0.00 0.05 0.00 0.00 55.36 55.51 2i4g s GLN 1831Cb -0.06 -0.20 -0.01 0.00 1.10 0.00 0.00 33.01 33.84 2i4g s GLN 1831CO 0.00 -0.20 0.97 1.41 -0.55 0.00 0.00 175.29 176.93 2i4g s MET 1832N 1.41 4.35 -0.08 1.67 -2.45 -1.26 -0.15 119.30 122.78 2i4g s MET 1832Ca -0.07 1.29 0.13 0.00 -1.25 0.00 0.00 55.69 55.79 2i4g s MET 1832Cb -0.12 -3.58 -0.23 0.00 1.25 0.00 0.00 34.83 32.15 2i4g s MET 1832CO -0.06 -0.40 0.53 1.28 1.05 0.00 0.00 175.02 177.41 2i4g n LEU 1833N 5.41 0.78 -3.59 4.11 4.77 0.11 -4.50 117.00 124.09 2i4g n LEU 1833Ca 0.09 0.32 -0.14 0.00 -0.03 0.00 0.00 56.01 56.25 2i4g n LEU 1833Cb 0.48 0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.70 2i4g n LEU 1833CO 0.51 0.43 0.25 -0.94 -1.33 0.00 0.00 177.39 176.31 2i4g s SER 1834N -6.00 -0.40 -0.10 -1.43 1.04 -1.16 -4.95 113.70 100.69 2i4g s SER 1834Ca -0.07 0.13 -0.03 0.00 0.48 0.00 0.00 55.95 56.46 2i4g s SER 1834Cb 0.08 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.72 2i4g s SER 1834CO 0.82 -0.71 0.10 -0.70 0.98 0.00 0.00 173.24 173.73 2i4g s GLU 1835N -2.47 0.00 -0.26 4.02 2.12 -1.26 -1.60 118.70 119.25 2i4g s GLU 1835Ca -0.05 0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.57 2i4g s GLU 1835Cb -0.01 -0.91 0.06 0.00 0.26 0.00 0.00 34.13 33.53 2i4g s GLU 1835CO -0.02 -0.45 -0.10 -1.12 -0.54 0.00 0.00 175.26 173.03 2i4g s SER 1836N 2.20 4.48 -0.31 -1.70 0.01 0.15 -4.99 113.70 113.53 2i4g s SER 1836Ca 0.04 -1.39 -0.20 0.00 1.31 0.00 0.00 55.95 55.71 2i4g s SER 1836Cb -0.13 -1.56 -0.01 0.00 0.21 0.00 0.00 66.02 64.52 2i4g s SER 1836CO -0.06 -0.19 0.61 -0.69 0.41 0.00 0.00 173.24 173.31 2i4g s VAL 1837N 1.11 4.95 0.54 3.43 1.01 -1.26 -1.27 120.40 128.92 2i4g s VAL 1837Ca -0.09 0.78 0.07 0.00 0.00 0.00 0.00 61.98 62.74 2i4g s VAL 1837Cb -0.20 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.24 2i4g s VAL 1837CO -0.05 -0.14 0.52 -0.76 0.00 0.00 0.00 175.10 174.67 2i4g s LEU 1838N 2.56 2.91 0.22 3.92 1.43 0.35 -5.00 118.68 125.08 2i4g s LEU 1838Ca 0.24 -1.06 -0.07 0.00 -1.03 0.00 0.00 54.13 52.21 2i4g s LEU 1838Cb -0.15 -1.44 0.35 0.00 0.03 0.00 0.00 46.19 44.98 2i4g s LEU 1838CO 0.12 -1.13 1.74 -0.65 0.23 0.00 0.00 176.35 176.66 2i4g h PRO 1839N 0.60 0.42 0.00 1.29 0.11 -2.02 -3.33 132.00 129.07 2i4g h PRO 1839Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2i4g h PRO 1839Cb 1.29 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2i4g h PRO 1839CO 0.52 0.28 0.00 0.39 -0.21 0.00 0.00 178.00 178.98 2i4g n GLU 1840N -4.99 0.50 -3.98 1.05 1.02 -1.26 -5.02 120.64 107.96 2i4g n GLU 1840Ca 0.11 -0.22 -0.10 0.00 -0.02 0.00 0.00 57.16 56.93 2i4g n GLU 1840Cb 0.32 -0.67 -0.07 0.00 -0.02 0.00 0.00 31.44 31.00 2i4g n GLU 1840CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 2i4g s TRP 1841N -0.13 0.43 -0.07 -0.32 -2.14 -1.25 -2.06 118.94 113.40 2i4g s TRP 1841Ca 0.00 -0.78 0.04 0.00 2.66 0.00 0.00 56.10 58.02 2i4g s TRP 1841Cb 0.00 -0.03 0.00 0.00 -3.10 0.00 0.00 33.47 30.34 2i4g s TRP 1841CO 0.00 -0.78 -0.18 0.99 -2.66 0.00 0.00 176.95 174.32 2i4g s THR 1842N -3.99 1.57 -0.18 0.66 2.01 0.71 -0.50 115.64 115.93 2i4g s THR 1842Ca 0.20 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.40 2i4g s THR 1842Cb 0.03 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 2i4g s THR 1842CO 0.03 0.45 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.74 2i4g s ILE 1843N 0.31 3.65 0.11 1.82 1.01 -0.39 -0.70 121.20 127.00 2i4g s ILE 1843Ca -0.12 -0.43 0.09 0.00 0.00 0.00 0.00 60.65 60.20 2i4g s ILE 1843Cb -0.15 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 2i4g s ILE 1843CO 0.05 0.46 -0.19 -0.13 0.00 0.00 0.00 174.94 175.12 2i4g s ARG 1844N 0.86 1.76 -0.06 2.79 0.52 0.00 -0.68 118.95 124.15 2i4g s ARG 1844Ca -0.01 -1.18 0.05 0.00 -0.52 0.00 0.00 55.73 54.07 2i4g s ARG 1844Cb -0.15 -2.09 -0.01 0.00 0.52 0.00 0.00 34.95 33.22 2i4g s ARG 1844CO 0.01 0.48 -0.22 -2.00 0.02 0.00 0.00 175.30 173.59 2i4g s GLU 1845N -2.06 2.57 0.05 3.54 2.12 -0.63 -0.78 118.70 123.51 2i4g s GLU 1845Ca 0.17 -0.85 0.07 0.00 0.36 0.00 0.00 54.97 54.72 2i4g s GLU 1845Cb -0.10 -2.23 -0.03 0.00 0.26 0.00 0.00 34.13 32.03 2i4g s GLU 1845CO 0.09 0.43 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.97 2i4g s PHE 1846N -0.26 1.80 -0.16 5.30 0.40 -0.12 0.08 117.98 125.02 2i4g s PHE 1846Ca -0.00 -0.38 -0.13 0.00 -0.60 0.00 0.00 56.93 55.82 2i4g s PHE 1846Cb -0.13 -1.06 -0.05 0.00 0.51 0.00 0.00 43.02 42.29 2i4g s PHE 1846CO 0.03 0.11 0.26 0.21 0.70 0.00 0.00 175.22 176.53 2i4g s LYS 1847N -1.28 4.19 0.02 0.44 2.20 0.78 -1.05 119.74 125.04 2i4g s LYS 1847Ca 0.07 0.04 0.04 0.00 -0.36 0.00 0.00 55.97 55.76 2i4g s LYS 1847Cb -0.09 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 2i4g s LYS 1847CO 0.02 0.30 -0.12 0.96 -0.36 0.00 0.00 175.35 176.15 2i4g s ILE 1848N 0.31 0.95 -0.05 5.43 -4.36 -0.30 -0.97 121.20 122.21 2i4g s ILE 1848Ca 0.15 -0.74 0.01 0.00 -0.26 0.00 0.00 60.65 59.81 2i4g s ILE 1848Cb -0.13 -0.84 0.02 0.00 1.25 0.00 0.00 42.46 42.76 2i4g s ILE 1848CO 0.03 0.10 -0.06 0.00 0.24 0.00 0.00 174.94 175.25 2i4g n GLY 1850N 4.08 5.24 3.60 0.00 0.00 -1.26 -1.32 105.19 115.54 2i4g n GLY 1850Ca -0.23 -1.88 -0.47 0.00 0.00 0.00 0.00 46.02 43.45 2i4g n GLY 1850CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2i4g n GLU 1851N 0.00 1.95 -1.88 1.61 2.13 -1.26 -4.83 120.64 118.36 2i4g n GLU 1851Ca 0.00 0.63 -0.42 0.00 0.66 0.00 0.00 57.16 58.03 2i4g n GLU 1851Cb 0.00 -2.83 -0.03 0.00 0.27 0.00 0.00 31.44 28.85 2i4g n GLU 1851CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2i4g s GLU 1852N 5.32 4.19 0.00 5.31 2.12 -1.26 -4.90 118.70 129.47 2i4g s GLU 1852Ca 0.99 2.40 0.00 0.00 0.36 0.00 0.00 54.97 58.72 2i4g s GLU 1852Cb -0.59 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.36 2i4g s GLU 1852CO 0.45 -0.72 0.00 1.04 -0.54 0.00 0.00 175.26 175.49 2i4g n GLN 1853N 5.07 0.00 0.10 4.30 6.02 -1.26 -4.96 117.38 126.66 2i4g n GLN 1853Ca 0.16 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.11 2i4g n GLN 1853Cb 0.39 0.00 0.15 0.00 1.02 0.00 0.00 30.24 31.80 2i4g n GLN 1853CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2i4g h LEU 1854N 0.00 0.18 -8.87 1.08 3.38 -1.97 -3.45 115.31 105.66 2i4g h LEU 1854Ca 0.00 -0.10 -0.34 0.00 0.09 0.00 0.00 57.88 57.52 2i4g h LEU 1854Cb 0.00 -0.05 -0.14 0.00 0.09 0.00 0.00 40.66 40.55 2i4g h LEU 1854CO 0.00 0.74 -0.62 1.51 0.09 0.00 0.00 178.44 180.16 2i4g s ASP 1855N -6.88 1.19 -0.00 -0.43 1.47 -1.26 -5.06 116.67 105.69 2i4g s ASP 1855Ca -0.03 -1.37 0.03 0.00 1.18 0.00 0.00 52.55 52.35 2i4g s ASP 1855Cb 0.12 0.16 -0.04 0.00 -0.34 0.00 0.00 42.92 42.82 2i4g s ASP 1855CO 0.78 -0.72 0.06 0.00 0.68 0.00 0.00 175.17 175.97 2i4g n ALA 1856N -0.45 2.10 -3.34 2.11 0.00 -1.26 -4.51 120.51 115.15 2i4g n ALA 1856Ca -0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 2i4g n ALA 1856Cb 0.66 -0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 2i4g n ALA 1856CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2i4g s HIS 1857N -2.18 -0.46 -0.14 0.00 -3.43 -1.26 -4.45 115.29 103.36 2i4g s HIS 1857Ca -0.01 0.51 -0.23 0.00 -0.80 0.00 0.00 55.06 54.52 2i4g s HIS 1857Cb 0.02 0.38 0.06 0.00 -1.43 0.00 0.00 32.58 31.61 2i4g s HIS 1857CO 0.11 -0.68 0.59 0.50 -2.00 0.00 0.00 174.74 173.26 2i4g s ARG 1858N -2.57 0.82 -0.17 -0.38 3.52 -0.42 -5.00 118.95 114.75 2i4g s ARG 1858Ca -0.05 0.51 -0.09 0.00 -0.13 0.00 0.00 55.73 55.97 2i4g s ARG 1858Cb -0.01 0.39 -0.05 0.00 -1.56 0.00 0.00 34.95 33.73 2i4g s ARG 1858CO -0.03 -0.18 0.15 -0.51 -0.81 0.00 0.00 175.30 173.93 2i4g s LEU 1859N -0.39 4.28 -0.02 -0.88 1.43 -1.26 -1.15 118.68 120.68 2i4g s LEU 1859Ca -0.05 0.34 0.08 0.00 -1.03 0.00 0.00 54.13 53.46 2i4g s LEU 1859Cb -0.03 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 2i4g s LEU 1859CO 0.04 0.25 -0.26 -0.63 0.23 0.00 0.00 176.35 175.99 2i4g s ILE 1860N -0.11 2.03 -0.00 -0.59 -1.09 -0.22 -4.83 121.20 116.39 2i4g s ILE 1860Ca 0.11 -1.10 0.02 0.00 -2.23 0.00 0.00 60.65 57.45 2i4g s ILE 1860Cb -0.12 -1.69 -0.03 0.00 -1.58 0.00 0.00 42.46 39.04 2i4g s ILE 1860CO 0.01 0.57 -0.02 -0.13 -1.23 0.00 0.00 174.94 174.14 2i4g s ARG 1861N -0.58 2.71 -0.12 2.79 0.52 0.05 -0.94 118.95 123.38 2i4g s ARG 1861Ca 0.09 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 54.67 2i4g s ARG 1861Cb -0.10 -2.61 0.02 0.00 0.52 0.00 0.00 34.95 32.77 2i4g s ARG 1861CO -0.01 0.62 -0.15 -1.58 0.02 0.00 0.00 175.30 174.21 2i4g s HIS 1862N -1.05 1.98 -0.31 -0.53 5.65 0.04 -1.08 115.29 119.99 2i4g s HIS 1862Ca 0.18 -0.97 -0.02 0.00 0.25 0.00 0.00 55.06 54.50 2i4g s HIS 1862Cb -0.11 -1.45 0.05 0.00 -1.18 0.00 0.00 32.58 29.89 2i4g s HIS 1862CO 0.09 -0.52 0.02 -0.06 -0.65 0.00 0.00 174.74 173.62 2i4g s PHE 1863N 1.12 3.27 -0.31 3.88 0.40 0.91 -0.82 117.98 126.44 2i4g s PHE 1863Ca -0.04 -1.84 -0.01 0.00 -0.60 0.00 0.00 56.93 54.44 2i4g s PHE 1863Cb -0.14 -2.17 0.06 0.00 0.51 0.00 0.00 43.02 41.28 2i4g s PHE 1863CO -0.04 -0.80 0.02 -1.58 0.70 0.00 0.00 175.22 173.53 2i4g s HIS 1864N 1.27 3.33 -0.27 0.36 2.46 0.12 -0.48 115.29 122.08 2i4g s HIS 1864Ca -0.04 -2.02 -0.19 0.00 0.47 0.00 0.00 55.06 53.28 2i4g s HIS 1864Cb -0.20 -2.28 -0.02 0.00 -0.13 0.00 0.00 32.58 29.94 2i4g s HIS 1864CO -0.01 -0.84 0.55 -0.47 -2.47 0.00 0.00 174.74 171.50 2i4g s TYR 1865N 1.21 3.26 -1.48 3.88 5.04 -0.14 -0.20 117.35 128.92 2i4g s TYR 1865Ca -0.03 0.66 0.14 0.00 -2.44 0.00 0.00 57.07 55.39 2i4g s TYR 1865Cb -0.20 -2.77 0.23 0.00 0.35 0.00 0.00 41.96 39.57 2i4g s TYR 1865CO -0.02 -0.31 1.11 0.25 -1.34 0.00 0.00 175.55 175.24 2i4g n THR 1866N 5.19 0.45 -1.69 4.34 -2.24 -0.87 -4.13 114.28 115.33 2i4g n THR 1866Ca -0.03 -0.72 0.06 0.00 -2.27 0.00 0.00 64.05 61.09 2i4g n THR 1866Cb 0.49 0.94 0.17 0.00 -2.10 0.00 0.00 70.33 69.84 2i4g n THR 1866CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2i4g n VAL 1867N 0.78 1.84 -3.82 2.28 0.24 -1.26 -4.87 118.33 113.51 2i4g n VAL 1867Ca 0.11 -2.80 -0.36 0.00 -2.04 0.00 0.00 64.34 59.25 2i4g n VAL 1867Cb 0.40 -0.06 -0.13 0.00 -1.47 0.00 0.00 33.84 32.59 2i4g n VAL 1867CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 2i4g s TRP 1868N -2.71 3.39 0.28 6.34 -0.11 -1.26 -4.59 118.94 120.28 2i4g s TRP 1868Ca 0.36 -1.98 -0.30 0.00 1.22 0.00 0.00 56.10 55.41 2i4g s TRP 1868Cb 0.36 -2.58 -0.10 0.00 -1.50 0.00 0.00 33.47 29.65 2i4g s TRP 1868CO -0.07 -0.85 1.44 -2.14 -4.62 0.00 0.00 176.95 170.70 2i4g s PRO 1869N 1.24 4.25 0.35 5.86 0.02 -1.26 -4.77 135.00 140.69 2i4g s PRO 1869Ca 0.01 2.35 -0.28 0.00 0.02 0.00 0.00 61.00 63.10 2i4g s PRO 1869Cb -0.21 -3.08 -0.12 0.00 0.02 0.00 0.00 34.50 31.11 2i4g s PRO 1869CO -0.01 -0.41 1.30 -3.47 -0.33 0.00 0.00 177.00 174.07 2i4g n ASP 1870N 1.81 2.79 0.00 2.53 2.03 -1.26 -1.08 116.55 123.37 2i4g n ASP 1870Ca 0.05 1.20 0.00 0.00 0.52 0.00 0.00 54.79 56.56 2i4g n ASP 1870Cb 0.40 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.31 2i4g n ASP 1870CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2i4g n HIS 1871N 0.30 0.00 -2.61 -0.67 -0.00 -1.26 -4.91 115.22 106.07 2i4g n HIS 1871Ca 0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.23 2i4g n HIS 1871Cb 0.36 -0.93 0.00 0.00 -0.12 0.00 0.00 29.99 29.30 2i4g n HIS 1871CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2i4g n GLY 1872N -1.59 6.40 3.09 1.57 0.00 -0.24 -4.93 105.19 109.48 2i4g n GLY 1872Ca 0.00 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 2i4g n GLY 1872CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2i4g s VAL 1873N 0.98 0.45 0.90 1.61 -7.23 -1.26 -4.81 120.40 111.05 2i4g s VAL 1873Ca 0.00 -1.50 -0.12 0.00 -1.81 0.00 0.00 61.98 58.55 2i4g s VAL 1873Cb 0.00 -1.12 0.09 0.00 0.56 0.00 0.00 36.38 35.91 2i4g s VAL 1873CO 0.00 -0.70 0.85 -2.65 -0.31 0.00 0.00 175.10 172.28 2i4g n PRO 1874N 0.67 -0.25 0.19 4.82 -0.02 -1.26 -4.55 135.00 134.60 2i4g n PRO 1874Ca -0.17 -0.01 0.07 0.00 -2.02 0.00 0.00 63.50 61.36 2i4g n PRO 1874Cb 0.58 -2.16 0.33 0.00 -0.02 0.00 0.00 33.50 32.23 2i4g n PRO 1874CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2i4g h GLU 1875N -1.52 0.00 -5.36 -0.52 5.08 -2.02 -3.44 114.58 106.79 2i4g h GLU 1875Ca -0.44 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.52 2i4g h GLU 1875Cb 1.28 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.36 2i4g h GLU 1875CO 0.39 0.33 -0.75 0.95 -1.00 0.00 0.00 179.01 178.94 2i4g s THR 1876N -3.52 1.35 0.20 1.13 -4.23 -1.26 -5.03 115.64 104.28 2i4g s THR 1876Ca 0.01 -1.85 -0.04 0.00 -1.18 0.00 0.00 61.69 58.63 2i4g s THR 1876Cb 0.10 -1.66 -0.02 0.00 1.34 0.00 0.00 72.50 72.26 2i4g s THR 1876CO 0.68 -0.51 1.55 0.71 -0.54 0.00 0.00 174.62 176.51 2i4g h THR 1877N 3.24 1.30 -0.93 3.99 1.35 -1.96 -3.26 112.91 116.64 2i4g h THR 1877Ca -0.39 -1.59 0.09 0.00 -0.55 0.00 0.00 66.41 63.97 2i4g h THR 1877Cb 1.20 1.54 -0.07 0.00 -1.73 0.00 0.00 68.15 69.08 2i4g h THR 1877CO 0.55 0.51 0.58 -0.61 -0.25 0.00 0.00 175.52 176.29 2i4g h GLN 1878N 0.53 0.96 0.76 4.72 -0.00 -1.98 -0.92 115.11 119.18 2i4g h GLN 1878Ca 0.04 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.60 2i4g h GLN 1878Cb 0.94 -0.22 0.01 0.00 0.00 0.00 0.00 27.48 28.22 2i4g h GLN 1878CO 0.09 0.63 -0.37 1.03 0.00 0.00 0.00 178.83 180.21 2i4g h SER 1879N 0.99 -0.86 -0.12 -0.69 0.87 -1.98 -0.14 113.55 111.60 2i4g h SER 1879Ca 0.43 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.90 2i4g h SER 1879Cb 0.31 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 2i4g h SER 1879CO -0.22 -0.61 -0.31 0.25 -0.53 0.00 0.00 176.83 175.42 2i4g h LEU 1880N -1.04 0.62 -0.70 2.23 5.85 -1.62 -1.03 115.31 119.63 2i4g h LEU 1880Ca -0.10 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.43 2i4g h LEU 1880Cb 0.79 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 2i4g h LEU 1880CO 0.17 0.89 0.40 0.40 -0.34 0.00 0.00 178.44 179.96 2i4g h ILE 1881N 0.52 0.99 -0.29 4.05 2.04 -1.12 0.78 117.51 124.48 2i4g h ILE 1881Ca 0.06 -0.26 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 2i4g h ILE 1881Cb 0.78 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2i4g h ILE 1881CO 0.06 0.14 -0.28 -0.61 0.00 0.00 0.00 178.15 177.46 2i4g h GLN 1882N 0.75 0.59 -0.09 2.37 5.75 -0.68 -1.20 115.11 122.60 2i4g h GLN 1882Ca 0.31 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 2i4g h GLN 1882Cb 0.16 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 2i4g h GLN 1882CO -0.17 0.81 0.02 0.35 -2.65 0.00 0.00 178.83 177.20 2i4g h PHE 1883N 0.51 0.14 -0.18 3.99 3.57 -0.45 -0.46 116.94 124.07 2i4g h PHE 1883Ca 0.07 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.56 2i4g h PHE 1883Cb 0.75 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 2i4g h PHE 1883CO 0.03 0.30 0.09 0.28 -2.23 0.00 0.00 178.31 176.78 2i4g h VAL 1884N -0.06 1.00 -0.94 1.41 2.07 -0.81 -0.25 116.25 118.68 2i4g h VAL 1884Ca 0.03 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.53 2i4g h VAL 1884Cb 0.22 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 2i4g h VAL 1884CO -0.00 0.04 0.60 0.03 0.02 0.00 0.00 177.57 178.26 2i4g h ARG 1885N 0.20 1.09 -0.21 1.57 3.08 -1.11 0.32 114.38 119.31 2i4g h ARG 1885Ca 0.07 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2i4g h ARG 1885Cb 0.01 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 2i4g h ARG 1885CO -0.05 0.72 0.03 1.15 -1.07 0.00 0.00 179.97 180.76 2i4g h THR 1886N 1.13 1.22 -0.37 2.04 2.02 -0.57 -0.13 112.91 118.25 2i4g h THR 1886Ca 0.39 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 2i4g h THR 1886Cb 0.10 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2i4g h THR 1886CO -0.15 0.23 0.18 0.58 0.37 0.00 0.00 175.52 176.73 2i4g h VAL 1887N 0.15 1.17 -0.46 3.16 2.07 -0.72 -1.79 116.25 119.82 2i4g h VAL 1887Ca 0.06 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 2i4g h VAL 1887Cb 0.31 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2i4g h VAL 1887CO 0.00 0.18 0.01 -0.09 0.02 0.00 0.00 177.57 177.69 2i4g h ARG 1888N 0.46 0.76 -0.40 1.57 9.65 -0.86 -0.20 114.38 125.36 2i4g h ARG 1888Ca 0.13 -0.19 0.05 0.00 -1.10 0.00 0.00 59.98 58.87 2i4g h ARG 1888Cb 0.12 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.56 2i4g h ARG 1888CO -0.02 0.76 0.13 -0.44 2.80 0.00 0.00 179.97 183.20 2i4g h ASP 1889N 0.71 0.12 -0.41 -3.80 3.32 -0.70 0.26 116.42 115.91 2i4g h ASP 1889Ca 0.14 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 2i4g h ASP 1889Cb 0.42 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2i4g h ASP 1889CO 0.02 0.10 0.12 1.88 -1.72 0.00 0.00 179.24 179.63 2i4g h TYR 1890N 0.28 0.68 0.12 4.55 -1.99 -0.41 -2.26 116.97 117.93 2i4g h TYR 1890Ca 0.19 -0.07 0.02 0.00 2.00 0.00 0.00 58.73 60.86 2i4g h TYR 1890Cb 0.18 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 38.69 2i4g h TYR 1890CO -0.16 0.63 -0.25 0.82 -0.00 0.00 0.00 178.16 179.21 2i4g h ILE 1891N 0.52 0.45 0.00 -2.88 2.04 -0.74 -2.98 117.51 113.93 2i4g h ILE 1891Ca 0.13 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 2i4g h ILE 1891Cb 0.28 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2i4g h ILE 1891CO -0.00 0.00 -0.08 0.78 0.00 0.00 0.00 178.15 178.85 2i4g h ASN 1892N -0.45 0.00 0.34 1.72 2.35 -0.40 -2.56 115.58 116.58 2i4g h ASN 1892Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2i4g h ASN 1892Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2i4g h ASN 1892CO -0.14 0.08 -0.35 0.54 -1.65 0.00 0.00 177.43 175.90 2i4g n ARG 1893N -3.55 0.51 -3.09 0.81 1.74 -0.86 -4.90 116.66 107.32 2i4g n ARG 1893Ca -0.02 -0.30 -0.39 0.00 -0.77 0.00 0.00 57.85 56.37 2i4g n ARG 1893Cb 0.20 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 2i4g n ARG 1893CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2i4g s SER 1894N -2.70 7.19 0.00 0.55 0.15 -0.97 -4.94 113.70 112.99 2i4g s SER 1894Ca 0.19 1.42 0.00 0.00 0.70 0.00 0.00 55.95 58.26 2i4g s SER 1894Cb 0.19 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2i4g s SER 1894CO 0.59 0.15 0.50 -0.81 1.20 0.00 0.00 173.24 174.88 2i4g n PRO 1895N 2.16 0.00 0.00 5.44 -0.04 -1.26 -4.55 135.00 136.75 2i4g n PRO 1895Ca -0.06 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2i4g n PRO 1895Cb 0.50 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2i4g n PRO 1895CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i4g n GLY 1896N -1.00 1.11 0.09 0.55 0.00 -1.26 -5.10 105.19 99.57 2i4g n GLY 1896Ca 0.00 0.40 -0.07 0.00 0.00 0.00 0.00 46.02 46.35 2i4g n GLY 1896CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i4g n ALA 1897N 0.00 1.67 -0.73 4.61 0.00 -1.26 -4.90 120.51 119.90 2i4g n ALA 1897Ca 0.00 -1.16 0.08 0.00 0.00 0.00 0.00 53.44 52.37 2i4g n ALA 1897Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 2i4g n ALA 1897CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i4g n GLY 1898N 1.66 -1.93 3.75 0.00 0.00 -1.24 -1.30 105.19 106.14 2i4g n GLY 1898Ca -0.27 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 2i4g n GLY 1898CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2i4g s PRO 1899N -1.26 3.23 -0.15 1.61 0.02 -1.25 -4.77 135.00 132.42 2i4g s PRO 1899Ca 0.00 2.16 -0.15 0.00 0.02 0.00 0.00 61.00 63.03 2i4g s PRO 1899Cb 0.00 -2.28 -0.05 0.00 0.02 0.00 0.00 34.50 32.20 2i4g s PRO 1899CO 0.00 -1.09 0.33 0.99 -0.33 0.00 0.00 177.00 176.90 2i4g s THR 1900N -1.34 5.28 -0.04 0.99 2.01 -0.72 -4.20 115.64 117.62 2i4g s THR 1900Ca 0.70 0.63 -0.22 0.00 0.31 0.00 0.00 61.69 63.12 2i4g s THR 1900Cb -0.38 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 2i4g s THR 1900CO 0.46 0.38 0.64 -0.69 -0.69 0.00 0.00 174.62 174.72 2i4g s VAL 1901N 0.48 4.98 -0.06 3.82 1.01 -0.58 -1.26 120.40 128.80 2i4g s VAL 1901Ca 0.18 1.34 0.03 0.00 0.00 0.00 0.00 61.98 63.54 2i4g s VAL 1901Cb -0.13 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2i4g s VAL 1901CO 0.05 0.33 -0.16 -0.69 0.00 0.00 0.00 175.10 174.63 2i4g s VAL 1902N 0.34 1.37 0.04 2.92 1.01 0.02 0.03 120.40 126.13 2i4g s VAL 1902Ca 0.34 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 2i4g s VAL 1902Cb -0.18 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.01 2i4g s VAL 1902CO 0.17 0.40 0.21 -1.38 0.00 0.00 0.00 175.10 174.51 2i4g s HIS 1903N 0.29 0.03 0.00 5.22 -3.43 -0.24 -2.19 115.29 114.97 2i4g s HIS 1903Ca -0.09 -0.25 0.00 0.00 -0.80 0.00 0.00 55.06 53.92 2i4g s HIS 1903Cb -0.14 -0.01 0.00 0.00 -1.43 0.00 0.00 32.58 31.01 2i4g s HIS 1903CO 0.03 -0.45 0.00 0.00 -2.00 0.00 0.00 174.74 172.32 2i4g n SER 1905N 0.00 1.85 0.00 0.00 2.88 -1.26 -2.44 113.62 114.65 2i4g n SER 1905Ca 0.00 0.52 0.11 0.00 -1.33 0.00 0.00 58.87 58.18 2i4g n SER 1905Cb 0.00 -0.89 0.10 0.00 -0.75 0.00 0.00 64.21 62.67 2i4g n SER 1905CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i4g n ALA 1906N -3.68 4.03 -3.31 -1.46 0.00 -1.26 -0.35 120.51 114.47 2i4g n ALA 1906Ca -0.19 -0.45 -0.17 0.00 0.00 0.00 0.00 53.44 52.63 2i4g n ALA 1906Cb 0.46 -0.98 0.07 0.00 0.00 0.00 0.00 19.45 19.00 2i4g n ALA 1906CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i4g n GLY 1907N 1.50 -0.27 1.52 0.00 0.00 -1.23 -4.33 105.19 102.37 2i4g n GLY 1907Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2i4g n GLY 1907CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2i4g n VAL 1908N -4.06 0.27 -0.07 1.61 0.31 -1.26 -4.78 118.33 110.35 2i4g n VAL 1908Ca -0.14 0.09 -0.06 0.00 -0.01 0.00 0.00 64.34 64.21 2i4g n VAL 1908Cb 0.61 -0.73 -0.03 0.00 -0.91 0.00 0.00 33.84 32.77 2i4g n VAL 1908CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2i4g h GLY 1909N 0.00 0.00 0.86 2.92 0.00 -1.90 -1.39 103.07 103.57 2i4g h GLY 1909Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2i4g h GLY 1909CO 0.00 0.00 -0.32 3.21 0.00 0.00 0.00 176.54 179.43 2i4g h ARG 1910N -1.00 0.53 -0.62 4.80 3.08 -1.92 -0.97 114.38 118.28 2i4g h ARG 1910Ca -0.05 -0.33 0.03 0.00 0.07 0.00 0.00 59.98 59.70 2i4g h ARG 1910Cb 0.52 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 2i4g h ARG 1910CO -0.03 0.94 0.37 1.15 -1.07 0.00 0.00 179.97 181.33 2i4g h THR 1911N 0.17 1.05 -0.93 2.04 2.02 -1.88 -0.73 112.91 114.66 2i4g h THR 1911Ca 0.01 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2i4g h THR 1911Cb 0.92 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 2i4g h THR 1911CO 0.07 0.13 0.58 1.23 0.37 0.00 0.00 175.52 177.91 2i4g h GLY 1912N 0.72 1.34 1.20 2.16 0.00 -1.23 -1.40 103.07 105.86 2i4g h GLY 1912Ca 0.25 -0.53 -0.18 0.00 0.00 0.00 0.00 47.33 46.87 2i4g h GLY 1912CO -0.12 0.52 -0.52 -0.84 0.00 0.00 0.00 176.54 175.58 2i4g h THR 1913N 1.28 1.28 -0.12 4.70 2.02 -0.83 -0.62 112.91 120.62 2i4g h THR 1913Ca 0.34 -1.71 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 2i4g h THR 1913Cb -0.09 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 2i4g h THR 1913CO -0.07 0.56 0.05 0.15 0.37 0.00 0.00 175.52 176.58 2i4g h PHE 1914N 0.65 0.17 -0.22 3.16 3.57 -0.87 -1.42 116.94 121.98 2i4g h PHE 1914Ca 0.02 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2i4g h PHE 1914Cb 1.12 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2i4g h PHE 1914CO 0.07 0.23 0.07 0.82 -2.23 0.00 0.00 178.31 177.27 2i4g h ILE 1915N 0.06 1.19 -0.41 1.41 2.04 -1.18 -0.23 117.51 120.38 2i4g h ILE 1915Ca 0.04 -0.58 0.07 0.00 1.00 0.00 0.00 64.86 65.39 2i4g h ILE 1915Cb 0.13 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 2i4g h ILE 1915CO -0.00 0.19 0.03 0.00 0.00 0.00 0.00 178.15 178.36 2i4g h ALA 1916N 0.90 0.40 -0.65 1.87 0.00 -1.05 -0.82 119.26 119.91 2i4g h ALA 1916Ca 0.07 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2i4g h ALA 1916Cb 0.22 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2i4g h ALA 1916CO -0.00 -0.37 0.40 1.25 0.00 0.00 0.00 179.25 180.53 2i4g h LEU 1917N 0.14 0.65 -0.50 0.00 5.85 -1.08 0.16 115.31 120.54 2i4g h LEU 1917Ca 0.20 0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.00 2i4g h LEU 1917Cb 0.28 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 2i4g h LEU 1917CO -0.31 0.45 0.13 -0.78 -0.34 0.00 0.00 178.44 177.59 2i4g h ASP 1918N 0.79 0.06 -0.36 1.25 3.58 -0.35 0.89 116.42 122.27 2i4g h ASP 1918Ca 0.27 0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.76 2i4g h ASP 1918Cb 0.03 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 2i4g h ASP 1918CO -0.11 0.06 0.08 0.03 -2.88 0.00 0.00 179.24 176.42 2i4g h ARG 1919N 0.27 0.59 -0.33 0.28 3.08 -0.63 -2.22 114.38 115.43 2i4g h ARG 1919Ca 0.25 -0.15 -0.14 0.00 0.07 0.00 0.00 59.98 60.01 2i4g h ARG 1919Cb 0.31 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2i4g h ARG 1919CO -0.30 0.64 -0.35 0.82 -1.07 0.00 0.00 179.97 179.71 2i4g h ILE 1920N 0.44 1.28 -0.77 2.04 2.04 -0.29 -0.84 117.51 121.41 2i4g h ILE 1920Ca 0.11 -1.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 2i4g h ILE 1920Cb 0.33 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 2i4g h ILE 1920CO 0.00 0.49 0.41 -0.07 0.00 0.00 0.00 178.15 178.99 2i4g h LEU 1921N 0.62 0.96 -0.98 1.44 3.38 -0.79 0.31 115.31 120.26 2i4g h LEU 1921Ca 0.06 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2i4g h LEU 1921Cb 0.89 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2i4g h LEU 1921CO 0.08 0.78 0.17 1.56 0.09 0.00 0.00 178.44 181.12 2i4g h GLN 1922N 1.08 0.91 -0.20 1.13 4.20 -0.84 -1.98 115.11 119.40 2i4g h GLN 1922Ca 0.27 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 2i4g h GLN 1922Cb 0.04 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2i4g h GLN 1922CO -0.04 0.80 0.12 1.96 -0.67 0.00 0.00 178.83 181.00 2i4g h GLN 1923N 0.88 0.28 0.00 1.46 4.20 -0.41 -2.25 115.11 119.26 2i4g h GLN 1923Ca 0.19 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 2i4g h GLN 1923Cb 0.28 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 2i4g h GLN 1923CO -0.01 0.22 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.25 2i4g h LEU 1924N 0.25 0.00 -0.15 1.46 3.38 -0.69 0.02 115.31 119.58 2i4g h LEU 1924Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2i4g h LEU 1924Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2i4g h LEU 1924CO -0.01 0.06 -0.36 0.47 0.09 0.00 0.00 178.44 178.68 2i4g n ASP 1925N -3.55 0.59 0.00 -0.43 8.00 -0.77 -4.50 116.55 115.89 2i4g n ASP 1925Ca -0.02 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.10 2i4g n ASP 1925Cb 0.17 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 2i4g n ASP 1925CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2i4g n SER 1926N -1.23 4.31 -4.44 -2.24 3.41 -0.66 -5.09 113.62 107.67 2i4g n SER 1926Ca 0.08 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.47 2i4g n SER 1926Cb 0.33 0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 2i4g n SER 1926CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2i4g s LYS 1927N -1.95 1.59 -0.18 4.33 1.02 -0.10 -5.05 119.74 119.41 2i4g s LYS 1927Ca 0.00 -1.79 0.15 0.00 0.02 0.00 0.00 55.97 54.36 2i4g s LYS 1927Cb 0.00 -1.32 0.76 0.00 -0.52 0.00 0.00 37.83 36.74 2i4g s LYS 1927CO 0.00 0.11 1.67 -0.40 -0.92 0.00 0.00 175.35 175.80 2i4g n ASP 1928N -0.60 5.19 -4.09 2.83 5.68 -1.26 -4.67 116.55 119.63 2i4g n ASP 1928Ca -0.06 -2.69 -0.07 0.00 -0.50 0.00 0.00 54.79 51.47 2i4g n ASP 1928Cb 0.63 -0.64 -0.10 0.00 -1.14 0.00 0.00 41.12 39.87 2i4g n ASP 1928CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2i4g s SER 1929N -0.81 0.48 0.01 -1.12 1.04 -1.26 -1.33 113.70 110.71 2i4g s SER 1929Ca 0.52 -1.00 0.03 0.00 0.48 0.00 0.00 55.95 55.97 2i4g s SER 1929Cb 0.37 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.68 2i4g s SER 1929CO 0.19 -0.61 -0.09 0.54 0.98 0.00 0.00 173.24 174.26 2i4g s VAL 1930N -3.92 0.69 -0.44 5.02 0.11 -0.34 -4.71 120.40 116.81 2i4g s VAL 1930Ca 0.08 -0.60 0.05 0.00 -2.93 0.00 0.00 61.98 58.58 2i4g s VAL 1930Cb 0.08 -0.62 0.19 0.00 -1.53 0.00 0.00 36.38 34.50 2i4g s VAL 1930CO -0.10 0.04 0.42 -0.67 -3.33 0.00 0.00 175.10 171.46 2i4g n ASP 1931N 2.44 0.18 -0.25 3.54 2.03 -1.26 -0.69 116.55 122.54 2i4g n ASP 1931Ca -0.16 -2.58 -0.05 0.00 0.52 0.00 0.00 54.79 52.52 2i4g n ASP 1931Cb 0.56 -0.60 0.05 0.00 -0.72 0.00 0.00 41.12 40.42 2i4g n ASP 1931CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2i4g h ILE 1932N 3.89 1.19 -0.67 5.18 2.04 -1.99 -1.22 117.51 125.92 2i4g h ILE 1932Ca 0.21 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 2i4g h ILE 1932Cb 0.88 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2i4g h ILE 1932CO 0.45 0.19 0.42 0.22 0.00 0.00 0.00 178.15 179.43 2i4g h TYR 1933N 0.93 0.87 -0.48 1.37 3.20 -1.93 -1.95 116.97 118.99 2i4g h TYR 1933Ca 0.25 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.02 2i4g h TYR 1933Cb -0.06 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 37.90 2i4g h TYR 1933CO -0.02 0.58 -0.10 0.78 -1.64 0.00 0.00 178.16 177.76 2i4g h GLY 1934N 0.92 0.95 0.97 1.82 0.00 -1.67 0.40 103.07 106.46 2i4g h GLY 1934Ca 0.24 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 2i4g h GLY 1934CO -0.05 0.67 0.20 0.00 0.00 0.00 0.00 176.54 177.37 2i4g h ALA 1935N 1.09 0.46 -0.13 3.60 0.00 -0.70 -0.21 119.26 123.37 2i4g h ALA 1935Ca 0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2i4g h ALA 1935Cb 0.62 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2i4g h ALA 1935CO 0.04 -0.03 -0.11 0.28 0.00 0.00 0.00 179.25 179.43 2i4g h VAL 1936N 0.46 1.34 -0.59 0.00 2.07 -1.19 -1.87 116.25 116.47 2i4g h VAL 1936Ca 0.13 -1.24 0.11 0.00 0.82 0.00 0.00 66.70 66.51 2i4g h VAL 1936Cb 0.04 1.87 -0.11 0.00 -1.52 0.00 0.00 31.29 31.57 2i4g h VAL 1936CO -0.02 0.36 -0.29 -0.74 0.02 0.00 0.00 177.57 176.90 2i4g h HIS 1937N -0.07 -0.78 -0.60 1.57 6.17 -0.83 -1.19 115.15 119.43 2i4g h HIS 1937Ca 0.02 0.07 -0.09 0.00 0.71 0.00 0.00 60.37 61.08 2i4g h HIS 1937Cb 0.62 0.43 -0.02 0.00 2.52 0.00 0.00 27.41 30.96 2i4g h HIS 1937CO 0.08 -0.36 0.04 -0.44 0.71 0.00 0.00 177.93 177.96 2i4g h ASP 1938N -0.13 1.01 -1.00 3.26 3.32 -0.95 -1.66 116.42 120.27 2i4g h ASP 1938Ca 0.25 -0.29 0.05 0.00 0.02 0.00 0.00 57.03 57.07 2i4g h ASP 1938Cb 0.54 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.75 2i4g h ASP 1938CO -0.67 1.05 0.65 -0.07 -1.72 0.00 0.00 179.24 178.48 2i4g h LEU 1939N 0.94 1.05 -1.16 1.55 3.38 -0.87 -2.75 115.31 117.44 2i4g h LEU 1939Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2i4g h LEU 1939Cb 0.50 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2i4g h LEU 1939CO 0.02 0.69 0.00 0.03 0.09 0.00 0.00 178.44 179.27 2i4g h ARG 1940N 1.20 0.00 0.00 1.13 3.08 -0.29 -0.57 114.38 118.94 2i4g h ARG 1940Ca 0.42 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.45 2i4g h ARG 1940Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 2i4g h ARG 1940CO -0.15 0.00 -0.09 -0.07 -1.07 0.00 0.00 179.97 178.59 2i4g h LEU 1941N 0.00 0.00 0.00 3.04 3.38 -1.13 -3.31 115.31 117.29 2i4g h LEU 1941Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2i4g h LEU 1941Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2i4g h LEU 1941CO 0.00 0.09 -1.80 1.41 0.09 0.00 0.00 178.44 178.23 2i4g n HIS 1942N -3.80 0.00 -3.66 1.13 8.25 -0.27 -4.85 115.22 112.02 2i4g n HIS 1942Ca -0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.29 2i4g n HIS 1942Cb 0.18 -0.48 -0.07 0.00 1.12 0.00 0.00 29.99 30.74 2i4g n HIS 1942CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2i4g s ARG 1943N -2.80 0.83 -0.21 -0.41 3.52 -0.93 -4.65 118.95 114.31 2i4g s ARG 1943Ca -0.06 -0.01 -0.35 0.00 -0.13 0.00 0.00 55.73 55.18 2i4g s ARG 1943Cb 0.08 0.38 -0.11 0.00 -1.56 0.00 0.00 34.95 33.74 2i4g s ARG 1943CO 0.62 -0.25 1.99 1.55 -0.81 0.00 0.00 175.30 178.40 2i4g n VAL 1944N 1.10 0.41 -4.10 7.11 3.14 -1.26 -3.11 118.33 121.62 2i4g n VAL 1944Ca -0.20 -0.18 -0.34 0.00 -2.96 0.00 0.00 64.34 60.66 2i4g n VAL 1944Cb 0.56 -1.80 -0.01 0.00 -1.06 0.00 0.00 33.84 31.54 2i4g n VAL 1944CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 2i4g n HIS 1945N 7.97 -1.95 -1.56 1.45 -0.00 -1.26 -4.86 115.22 115.02 2i4g n HIS 1945Ca 0.29 0.84 -0.54 0.00 -0.00 0.00 0.00 57.72 58.31 2i4g n HIS 1945Cb 0.27 -3.37 -0.06 0.00 -0.00 0.00 0.00 29.99 26.82 2i4g n HIS 1945CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2i4g n MET 1946N -4.50 0.77 -1.10 1.57 0.00 -1.18 -4.10 117.12 108.59 2i4g n MET 1946Ca 0.04 0.28 -0.00 0.00 0.00 0.00 0.00 57.70 58.02 2i4g n MET 1946Cb 0.51 -1.84 -0.00 0.00 0.00 0.00 0.00 33.22 31.90 2i4g n MET 1946CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2i4g n VAL 1947N 2.00 -2.26 0.04 2.03 0.31 -0.59 -4.75 118.33 115.12 2i4g n VAL 1947Ca 0.18 0.02 -0.16 0.00 -0.01 0.00 0.00 64.34 64.38 2i4g n VAL 1947Cb 0.17 -3.11 -0.14 0.00 -0.91 0.00 0.00 33.84 29.85 2i4g n VAL 1947CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2i4g h GLN 1948N 0.03 0.20 -5.71 5.55 4.15 -1.73 -3.47 115.11 114.14 2i4g h GLN 1948Ca -0.00 -0.34 -0.48 0.00 0.77 0.00 0.00 58.65 58.60 2i4g h GLN 1948Cb 0.00 0.13 -0.19 0.00 0.21 0.00 0.00 27.48 27.63 2i4g h GLN 1948CO 0.00 1.02 -0.78 0.95 -1.93 0.00 0.00 178.83 178.09 2i4g s THR 1949N -2.61 1.55 0.28 2.39 -4.23 -1.26 -5.03 115.64 106.73 2i4g s THR 1949Ca -0.10 -1.74 -0.00 0.00 -1.18 0.00 0.00 61.69 58.67 2i4g s THR 1949Cb 0.07 -1.62 0.28 0.00 1.34 0.00 0.00 72.50 72.57 2i4g s THR 1949CO 0.83 -0.31 1.88 -0.08 -0.54 0.00 0.00 174.62 176.40 2i4g h GLU 1950N 3.55 1.05 -0.77 3.99 4.81 -1.98 -2.07 114.58 123.17 2i4g h GLU 1950Ca -0.42 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 58.77 2i4g h GLU 1950Cb 1.20 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 2i4g h GLU 1950CO 0.48 0.70 0.51 0.00 -0.73 0.00 0.00 179.01 179.97 2i4g h GLN 1952N 1.00 1.07 -0.88 0.00 4.20 -1.71 0.44 115.11 119.23 2i4g h GLN 1952Ca 0.29 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2i4g h GLN 1952Cb -0.05 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 2i4g h GLN 1952CO -0.07 1.04 0.46 -0.92 -0.67 0.00 0.00 178.83 178.67 2i4g h TYR 1953N 0.97 1.24 -0.55 2.96 3.20 -0.61 -2.04 116.97 122.15 2i4g h TYR 1953Ca 0.17 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 2i4g h TYR 1953Cb 0.56 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 2i4g h TYR 1953CO 0.04 0.87 0.06 0.28 -1.64 0.00 0.00 178.16 177.77 2i4g h VAL 1954N 1.25 1.25 -0.43 1.81 2.07 -0.23 -2.94 116.25 119.02 2i4g h VAL 1954Ca 0.31 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.76 2i4g h VAL 1954Cb 0.07 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2i4g h VAL 1954CO -0.04 0.36 -0.09 0.22 0.02 0.00 0.00 177.57 178.03 2i4g h TYR 1955N 0.84 0.83 -0.93 1.57 3.20 -0.36 -0.62 116.97 121.50 2i4g h TYR 1955Ca 0.17 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2i4g h TYR 1955Cb 0.42 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 2i4g h TYR 1955CO 0.03 0.82 0.58 -0.07 -1.64 0.00 0.00 178.16 177.87 2i4g h LEU 1956N 0.69 1.10 -0.57 2.82 3.38 -1.22 -0.41 115.31 121.11 2i4g h LEU 1956Ca 0.12 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2i4g h LEU 1956Cb 0.55 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2i4g h LEU 1956CO 0.03 0.83 -0.00 0.45 0.09 0.00 0.00 178.44 179.84 2i4g h HIS 1957N 1.27 1.10 -0.62 1.13 3.86 -1.11 -2.21 115.15 118.58 2i4g h HIS 1957Ca 0.34 -0.19 -0.05 0.00 -1.16 0.00 0.00 60.37 59.30 2i4g h HIS 1957Cb -0.08 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.07 2i4g h HIS 1957CO 0.00 0.99 0.17 1.96 0.86 0.00 0.00 177.93 181.91 2i4g h GLN 1958N 0.90 0.96 -0.02 2.45 4.20 -0.66 0.02 115.11 122.96 2i4g h GLN 1958Ca 0.16 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2i4g h GLN 1958Cb 0.55 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 2i4g h GLN 1958CO 0.03 0.84 0.01 0.00 -0.67 0.00 0.00 178.83 179.04 2i4g h VAL 1960N -0.03 1.21 -0.50 0.00 2.07 -1.10 -1.64 116.25 116.25 2i4g h VAL 1960Ca 0.01 -0.62 0.09 0.00 0.82 0.00 0.00 66.70 67.00 2i4g h VAL 1960Cb 0.05 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 30.38 2i4g h VAL 1960CO -0.00 0.24 0.05 -0.09 0.02 0.00 0.00 177.57 177.79 2i4g h ARG 1961N 0.71 0.17 -0.42 1.57 2.43 -0.82 -1.26 114.38 116.76 2i4g h ARG 1961Ca 0.18 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2i4g h ARG 1961Cb 0.16 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2i4g h ARG 1961CO -0.02 0.11 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.08 2i4g h ASP 1962N 0.17 0.75 -0.23 -3.80 3.32 -0.92 -1.29 116.42 114.43 2i4g h ASP 1962Ca 0.26 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2i4g h ASP 1962Cb 0.37 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2i4g h ASP 1962CO -0.38 0.90 0.15 0.58 -1.72 0.00 0.00 179.24 178.77 2i4g h VAL 1963N 0.59 1.05 -0.48 -1.35 2.07 -1.13 -2.13 116.25 114.86 2i4g h VAL 1963Ca 0.11 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 2i4g h VAL 1963Cb 0.54 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2i4g h VAL 1963CO 0.03 0.06 -0.03 -0.07 0.02 0.00 0.00 177.57 177.57 2i4g h LEU 1964N 0.30 0.80 -0.35 2.57 3.38 -1.11 -0.90 115.31 120.01 2i4g h LEU 1964Ca 0.08 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2i4g h LEU 1964Cb -0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2i4g h LEU 1964CO -0.02 0.88 0.21 0.03 0.09 0.00 0.00 178.44 179.63 2i4g h ARG 1965N 0.76 0.47 -0.60 1.13 3.08 -1.14 -0.61 114.38 117.47 2i4g h ARG 1965Ca 0.14 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 2i4g h ARG 1965Cb 0.50 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 2i4g h ARG 1965CO 0.03 0.35 0.28 0.00 -1.07 0.00 0.00 179.97 179.56 2i4g h ALA 1966N 1.09 0.77 -0.18 0.04 0.00 -1.04 -2.94 119.26 117.01 2i4g h ALA 1966Ca 0.12 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2i4g h ALA 1966Cb -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2i4g h ALA 1966CO -0.02 0.34 -0.53 0.00 0.00 0.00 0.00 179.25 179.03 2i4g h ARG 1967N 0.82 0.51 -0.86 0.00 3.08 -0.97 -2.97 114.38 113.99 2i4g h ARG 1967Ca 0.20 -0.31 0.05 0.00 0.07 0.00 0.00 59.98 59.99 2i4g h ARG 1967Cb 0.13 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 2i4g h ARG 1967CO -0.03 0.92 0.56 -0.22 -1.07 0.00 0.00 179.97 180.13 2i4g h LYS 1968N 0.40 0.99 0.00 0.04 3.64 -0.93 -1.37 116.57 119.34 2i4g h LYS 1968Ca 0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2i4g h LYS 1968Cb 1.06 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2i4g h LYS 1968CO 0.10 0.66 0.00 1.28 -2.27 0.00 0.00 179.45 179.21 2i4g n LEU 1969N -4.46 0.65 -0.39 5.20 4.77 -1.13 -5.12 117.00 116.52 2i4g n LEU 1969Ca 0.12 0.57 0.05 0.00 -0.03 0.00 0.00 56.01 56.72 2i4g n LEU 1969Cb 0.15 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 40.90 2i4g n LEU 1969CO 0.34 -0.20 0.40 0.54 -1.33 0.00 0.00 177.39 177.14