#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i3r s SER 1680N 0.00 -0.48 -0.46 3.42 0.15 -1.26 -4.42 113.70 110.66 2i3r s SER 1680Ca 0.00 0.63 0.05 0.00 0.70 0.00 0.00 55.95 57.33 2i3r s SER 1680Cb 0.00 0.54 0.18 0.00 -1.71 0.00 0.00 66.02 65.03 2i3r s SER 1680CO 0.00 -0.37 0.52 0.00 1.20 0.00 0.00 173.24 174.60 2i3r s PRO 1682N 0.36 4.37 -0.04 0.00 0.02 -1.26 -4.54 135.00 133.91 2i3r s PRO 1682Ca 0.32 1.19 0.06 0.00 0.02 0.00 0.00 61.00 62.59 2i3r s PRO 1682Cb 0.03 -2.45 -0.02 0.00 0.02 0.00 0.00 34.50 32.09 2i3r s PRO 1682CO -0.14 0.11 -0.22 0.42 -0.33 0.00 0.00 177.00 176.84 2i3r s ILE 1683N -1.94 2.39 0.37 2.83 -1.09 -0.15 -4.95 121.20 118.66 2i3r s ILE 1683Ca 0.57 -0.97 -0.26 0.00 -2.23 0.00 0.00 60.65 57.76 2i3r s ILE 1683Cb -0.13 -1.88 -0.09 0.00 -1.58 0.00 0.00 42.46 38.78 2i3r s ILE 1683CO 0.18 0.58 1.14 -0.54 -1.23 0.00 0.00 174.94 175.06 2i3r s LYS 1684N -0.53 4.24 0.15 2.79 1.02 -1.26 -0.52 119.74 125.63 2i3r s LYS 1684Ca 0.07 1.79 -0.13 0.00 0.02 0.00 0.00 55.97 57.72 2i3r s LYS 1684Cb -0.11 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 34.42 2i3r s LYS 1684CO 0.01 -0.15 1.63 -0.84 -0.92 0.00 0.00 175.35 175.08 2i3r h ILE 1685N 2.54 1.25 0.00 2.17 3.07 -1.15 -1.09 117.51 124.29 2i3r h ILE 1685Ca -0.48 -0.94 0.00 0.00 1.55 0.00 0.00 64.86 64.98 2i3r h ILE 1685Cb 1.22 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 2i3r h ILE 1685CO 0.64 0.33 0.00 -0.46 -1.05 0.00 0.00 178.15 177.61 2i3r n ASN 1686N -4.41 0.00 -0.51 2.16 0.23 -1.26 -1.62 115.26 109.85 2i3r n ASN 1686Ca 0.01 -0.35 0.06 0.00 -0.53 0.00 0.00 54.58 53.78 2i3r n ASN 1686Cb 0.26 -0.04 0.06 0.00 -2.08 0.00 0.00 39.78 37.98 2i3r n ASN 1686CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2i3r n GLN 1687N -1.04 0.89 -0.13 -3.83 1.13 -0.44 -4.84 117.38 109.11 2i3r n GLN 1687Ca 0.10 -1.31 -0.12 0.00 -1.94 0.00 0.00 57.00 53.73 2i3r n GLN 1687Cb 0.06 -1.24 -0.02 0.00 0.11 0.00 0.00 30.24 29.15 2i3r n GLN 1687CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 2i3r h PHE 1688N 2.37 1.03 0.33 1.08 3.57 -1.01 -1.70 116.94 122.60 2i3r h PHE 1688Ca 0.00 -0.27 -0.02 0.00 3.53 0.00 0.00 57.97 61.22 2i3r h PHE 1688Cb 0.53 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2i3r h PHE 1688CO 0.02 1.06 -0.16 1.49 -2.23 0.00 0.00 178.31 178.49 2i3r h GLU 1689N 0.70 -0.42 -0.36 1.11 4.57 -1.88 -0.91 114.58 117.38 2i3r h GLU 1689Ca 0.09 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.34 2i3r h GLU 1689Cb 0.81 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.46 2i3r h GLU 1689CO 0.07 -0.28 0.13 0.78 -1.18 0.00 0.00 179.01 178.53 2i3r h GLY 1690N -0.44 0.46 0.16 1.92 0.00 -1.92 -0.20 103.07 103.04 2i3r h GLY 1690Ca -0.04 -0.08 0.14 0.00 0.00 0.00 0.00 47.33 47.35 2i3r h GLY 1690CO 0.07 0.03 0.27 0.84 0.00 0.00 0.00 176.54 177.76 2i3r h HIS 1691N 0.28 0.46 -0.03 5.60 -0.00 -1.15 0.00 115.15 120.32 2i3r h HIS 1691Ca 0.17 0.04 -0.21 0.00 -0.00 0.00 0.00 60.37 60.36 2i3r h HIS 1691Cb 0.14 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 27.45 2i3r h HIS 1691CO -0.14 0.05 -0.85 0.35 -0.00 0.00 0.00 177.93 177.34 2i3r h PHE 1692N 0.41 0.57 -0.14 5.26 3.57 -0.70 -2.83 116.94 123.07 2i3r h PHE 1692Ca 0.40 -0.29 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2i3r h PHE 1692Cb 0.60 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2i3r h PHE 1692CO -0.18 1.08 0.09 0.52 -2.23 0.00 0.00 178.31 177.59 2i3r h MET 1693N 0.25 0.19 -0.61 1.11 2.86 -0.63 -0.57 114.93 117.53 2i3r h MET 1693Ca -0.06 -0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.69 2i3r h MET 1693Cb 1.46 -0.04 -0.10 0.00 0.06 0.00 0.00 31.60 32.98 2i3r h MET 1693CO 0.15 0.16 0.02 -0.22 1.06 0.00 0.00 176.91 178.08 2i3r h LYS 1694N 0.17 0.13 -0.36 1.72 3.11 -0.93 0.89 116.57 121.32 2i3r h LYS 1694Ca 0.05 -0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 57.78 2i3r h LYS 1694Cb 0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 2i3r h LYS 1694CO -0.01 0.09 -0.20 -0.07 -2.81 0.00 0.00 179.45 176.44 2i3r h LEU 1695N 0.14 0.69 -0.16 5.20 4.07 -1.44 -2.76 115.31 121.03 2i3r h LEU 1695Ca 0.32 -0.23 -0.09 0.00 0.08 0.00 0.00 57.88 57.96 2i3r h LEU 1695Cb 0.51 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 2i3r h LEU 1695CO -0.50 0.89 -0.42 1.56 -1.08 0.00 0.00 178.44 178.89 2i3r h GLN 1696N 0.60 0.00 -6.69 1.13 4.20 0.56 -2.01 115.11 112.90 2i3r h GLN 1696Ca 0.09 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.23 2i3r h GLN 1696Cb 0.68 0.00 0.18 0.00 0.30 0.00 0.00 27.48 28.64 2i3r h GLN 1696CO 0.05 0.42 -0.23 0.00 -0.67 0.00 0.00 178.83 178.39 2i3r n ALA 1697N -2.22 -0.94 -2.55 3.87 0.00 0.29 0.59 120.51 119.56 2i3r n ALA 1697Ca 0.02 -0.14 -0.16 0.00 0.00 0.00 0.00 53.44 53.16 2i3r n ALA 1697Cb 0.67 -1.93 0.01 0.00 0.00 0.00 0.00 19.45 18.20 2i3r n ALA 1697CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2i3r n ASP 1698N -0.40 -4.83 -1.87 0.00 2.03 -1.26 -1.43 116.55 108.79 2i3r n ASP 1698Ca 0.12 -0.11 -0.02 0.00 0.52 0.00 0.00 54.79 55.30 2i3r n ASP 1698Cb 0.49 -3.82 0.01 0.00 -0.72 0.00 0.00 41.12 37.07 2i3r n ASP 1698CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2i3r n SER 1699N -1.20 -3.18 0.00 1.67 2.88 -1.16 -3.34 113.62 109.30 2i3r n SER 1699Ca -0.14 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 2i3r n SER 1699Cb 0.62 -1.77 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 2i3r n SER 1699CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2i3r n ASN 1700N -1.53 0.00 0.08 -3.46 0.23 0.20 -4.82 115.26 105.97 2i3r n ASN 1700Ca -0.01 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.91 2i3r n ASN 1700Cb 0.51 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.08 2i3r n ASN 1700CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2i3r h TYR 1701N 0.00 0.35 0.00 -2.53 3.20 -0.48 -3.03 116.97 114.47 2i3r h TYR 1701Ca 0.00 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.62 2i3r h TYR 1701Cb 0.00 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.26 2i3r h TYR 1701CO 0.00 1.21 -0.52 1.28 -1.64 0.00 0.00 178.16 178.49 2i3r n LEU 1702N -3.46 0.52 -0.01 2.82 4.77 -1.13 -2.42 117.00 118.08 2i3r n LEU 1702Ca -0.07 0.06 -0.16 0.00 -0.03 0.00 0.00 56.01 55.80 2i3r n LEU 1702Cb 1.00 -0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.74 2i3r n LEU 1702CO 0.51 0.09 0.31 0.25 -1.33 0.00 0.00 177.39 177.22 2i3r h LEU 1703N 0.00 0.39 -0.93 2.23 6.46 -1.57 -2.92 115.31 118.96 2i3r h LEU 1703Ca 0.00 -0.78 -0.01 0.00 -0.12 0.00 0.00 57.88 56.97 2i3r h LEU 1703Cb 0.55 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.32 2i3r h LEU 1703CO 0.00 1.12 0.56 0.28 -0.62 0.00 0.00 178.44 179.77 2i3r h SER 1704N -0.30 1.12 -0.50 1.25 0.02 -1.57 0.17 113.55 113.75 2i3r h SER 1704Ca -0.06 -0.07 0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2i3r h SER 1704Cb 1.19 -0.28 -0.09 0.00 0.14 0.00 0.00 62.40 63.35 2i3r h SER 1704CO 0.09 0.87 -0.50 0.50 -1.14 0.00 0.00 176.83 176.64 2i3r h LYS 1705N 1.29 -0.30 0.32 3.45 3.64 -1.59 -2.00 116.57 121.37 2i3r h LYS 1705Ca 0.33 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.72 2i3r h LYS 1705Cb -0.05 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2i3r h LYS 1705CO -0.06 -0.20 -0.15 1.49 -2.27 0.00 0.00 179.45 178.26 2i3r h GLU 1706N -0.31 -0.41 -0.99 1.90 4.81 -1.07 -2.71 114.58 115.80 2i3r h GLU 1706Ca 0.12 0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.53 2i3r h GLU 1706Cb 0.58 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 29.96 2i3r h GLU 1706CO -0.64 -0.20 0.62 -0.92 -0.73 0.00 0.00 179.01 177.14 2i3r h TYR 1707N -0.54 1.06 -0.48 0.92 3.20 -1.02 -0.36 116.97 119.74 2i3r h TYR 1707Ca -0.04 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 2i3r h TYR 1707Cb 0.40 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 2i3r h TYR 1707CO -0.03 0.35 0.16 0.93 -1.64 0.00 0.00 178.16 177.93 2i3r h GLU 1708N 0.86 0.71 -0.05 1.82 4.39 -1.05 -2.52 114.58 118.73 2i3r h GLU 1708Ca 0.52 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 60.10 2i3r h GLU 1708Cb 0.68 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2i3r h GLU 1708CO -0.29 0.61 0.01 0.93 -1.16 0.00 0.00 179.01 179.11 2i3r h GLU 1709N 0.70 0.07 0.00 2.33 5.08 -0.81 -1.65 114.58 120.29 2i3r h GLU 1709Ca 0.16 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2i3r h GLU 1709Cb 0.20 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2i3r h GLU 1709CO -0.01 0.07 0.00 1.28 -1.00 0.00 0.00 179.01 179.35 2i3r n LEU 1710N -4.50 0.00 -0.34 1.33 4.77 -0.95 -4.33 117.00 112.98 2i3r n LEU 1710Ca -0.02 0.25 -0.02 0.00 -0.03 0.00 0.00 56.01 56.20 2i3r n LEU 1710Cb 0.11 -0.25 0.11 0.00 -2.33 0.00 0.00 43.42 41.05 2i3r n LEU 1710CO 0.35 -0.04 1.25 0.50 -1.33 0.00 0.00 177.39 178.11 2i3r h LYS 1711N 0.00 1.16 -0.02 3.23 3.64 -1.39 -2.62 116.57 120.57 2i3r h LYS 1711Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2i3r h LYS 1711Cb 0.21 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2i3r h LYS 1711CO 0.00 0.77 -0.19 -0.25 -2.27 0.00 0.00 179.45 177.51 2i3r n ASP 1712N -4.48 2.03 -4.71 4.20 8.00 -1.26 -4.94 116.55 115.39 2i3r n ASP 1712Ca 0.11 -1.54 -0.42 0.00 0.71 0.00 0.00 54.79 53.65 2i3r n ASP 1712Cb 0.06 0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 2i3r n ASP 1712CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2i3r n VAL 1713N 0.32 0.11 -0.81 2.53 0.31 -0.99 -1.35 118.33 118.45 2i3r n VAL 1713Ca 0.13 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 2i3r n VAL 1713Cb 0.46 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 2i3r n VAL 1713CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2i3r n GLY 1714N 4.02 0.97 0.00 2.92 0.00 -1.26 -4.59 105.19 107.24 2i3r n GLY 1714Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 2i3r n GLY 1714CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2i3r n ARG 1715N -2.00 0.11 0.00 1.61 1.85 -0.46 -2.66 116.66 115.11 2i3r n ARG 1715Ca 0.00 0.05 0.14 0.00 -1.00 0.00 0.00 57.85 57.03 2i3r n ARG 1715Cb 0.00 -1.50 0.76 0.00 -1.05 0.00 0.00 32.46 30.67 2i3r n ARG 1715CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2i3r n ASN 1716N -1.44 0.00 -4.82 2.89 3.02 -1.26 -4.90 115.26 108.75 2i3r n ASN 1716Ca 0.08 -0.56 -0.38 0.00 -0.03 0.00 0.00 54.58 53.68 2i3r n ASN 1716Cb 0.28 -0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.28 2i3r n ASN 1716CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2i3r s GLN 1717N -2.22 4.06 0.44 3.52 -0.21 -1.09 -5.08 119.66 119.08 2i3r s GLN 1717Ca 0.35 0.55 -0.05 0.00 0.02 0.00 0.00 55.36 56.23 2i3r s GLN 1717Cb 0.19 -3.24 -0.04 0.00 1.00 0.00 0.00 33.01 30.91 2i3r s GLN 1717CO 0.35 0.63 0.74 -1.54 -2.12 0.00 0.00 175.29 173.36 2i3r s SER 1718N -0.96 6.32 -0.37 5.90 1.04 -1.26 -4.93 113.70 119.43 2i3r s SER 1718Ca 0.26 0.89 0.11 0.00 0.48 0.00 0.00 55.95 57.68 2i3r s SER 1718Cb -0.18 -2.23 0.44 0.00 0.10 0.00 0.00 66.02 64.16 2i3r s SER 1718CO 0.15 -0.49 1.07 0.00 0.98 0.00 0.00 173.24 174.95 2i3r h ASP 1720N 2.66 0.70 -0.69 0.00 3.32 -1.95 -3.02 116.42 117.44 2i3r h ASP 1720Ca 0.15 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 2i3r h ASP 1720Cb 1.10 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 2i3r h ASP 1720CO 0.68 0.76 0.36 0.40 -1.72 0.00 0.00 179.24 179.72 2i3r h ILE 1721N 0.60 1.22 -0.21 0.35 1.08 -1.92 -1.89 117.51 116.75 2i3r h ILE 1721Ca 0.14 -0.58 0.06 0.00 -0.39 0.00 0.00 64.86 64.10 2i3r h ILE 1721Cb 0.34 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.43 2i3r h ILE 1721CO 0.00 0.25 0.15 0.00 -0.69 0.00 0.00 178.15 177.86 2i3r h ALA 1722N 1.18 2.17 -0.01 1.87 0.00 -1.83 -1.91 119.26 120.73 2i3r h ALA 1722Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2i3r h ALA 1722Cb 0.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2i3r h ALA 1722CO -0.04 -0.26 -0.16 1.28 0.00 0.00 0.00 179.25 180.07 2i3r n LEU 1723N -4.43 1.54 -4.73 0.00 4.77 -0.74 -4.58 117.00 108.84 2i3r n LEU 1723Ca 0.02 -0.49 -0.42 0.00 -0.03 0.00 0.00 56.01 55.09 2i3r n LEU 1723Cb 0.30 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 2i3r n LEU 1723CO 0.35 0.27 1.06 0.18 -1.33 0.00 0.00 177.39 177.92 2i3r n LEU 1724N -0.06 4.03 -0.34 2.23 4.77 -0.72 -4.86 117.00 122.06 2i3r n LEU 1724Ca 0.14 1.19 0.07 0.00 -0.03 0.00 0.00 56.01 57.38 2i3r n LEU 1724Cb 0.39 -1.54 0.15 0.00 -2.33 0.00 0.00 43.42 40.10 2i3r n LEU 1724CO 0.22 -0.15 0.69 -0.65 -1.33 0.00 0.00 177.39 176.17 2i3r h PRO 1725N 3.41 0.00 0.00 3.23 0.11 -1.91 0.42 132.00 137.26 2i3r h PRO 1725Ca -0.47 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2i3r h PRO 1725Cb 1.26 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2i3r h PRO 1725CO 0.69 0.00 -0.01 1.05 -0.21 0.00 0.00 178.00 179.52 2i3r h GLU 1726N 0.00 0.00 -0.02 1.05 4.11 -1.95 -2.62 114.58 115.16 2i3r h GLU 1726Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 2i3r h GLU 1726Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2i3r h GLU 1726CO -0.96 0.01 -0.12 0.09 0.07 0.00 0.00 179.01 178.10 2i3r n ASN 1727N -3.13 1.92 -0.26 3.06 3.02 0.13 -4.59 115.26 115.41 2i3r n ASN 1727Ca -0.01 -1.53 0.04 0.00 -0.03 0.00 0.00 54.58 53.05 2i3r n ASN 1727Cb 0.20 0.10 0.17 0.00 -0.61 0.00 0.00 39.78 39.64 2i3r n ASN 1727CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2i3r h ARG 1728N 2.83 0.53 0.00 3.52 9.65 -1.45 0.11 114.38 129.57 2i3r h ARG 1728Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2i3r h ARG 1728Cb 0.68 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 2i3r h ARG 1728CO 0.00 0.35 0.00 0.41 2.80 0.00 0.00 179.97 183.53 2i3r n GLY 1729N -1.32 -0.76 0.41 2.80 0.00 -1.26 -3.25 105.19 101.81 2i3r n GLY 1729Ca 0.14 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.19 2i3r n GLY 1729CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i3r n LYS 1730N -1.27 1.21 -3.78 1.61 5.02 0.40 -4.82 118.16 116.53 2i3r n LYS 1730Ca 0.07 -0.84 -0.35 0.00 -2.02 0.00 0.00 58.31 55.17 2i3r n LYS 1730Cb 0.12 -1.43 -0.09 0.00 -0.02 0.00 0.00 35.03 33.60 2i3r n LYS 1730CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2i3r s ASN 1731N -2.41 5.97 0.17 4.39 0.01 -1.20 -4.57 114.94 117.30 2i3r s ASN 1731Ca 0.16 0.13 -0.11 0.00 -0.71 0.00 0.00 52.86 52.33 2i3r s ASN 1731Cb 0.17 -2.05 0.05 0.00 0.41 0.00 0.00 41.25 39.82 2i3r s ASN 1731CO 0.57 0.13 1.64 -0.09 -1.51 0.00 0.00 177.10 177.83 2i3r h ARG 1732N 7.05 0.99 -5.12 -0.60 2.43 -1.90 -3.43 114.38 113.80 2i3r h ARG 1732Ca -0.39 -0.30 -0.57 0.00 -0.81 0.00 0.00 59.98 57.91 2i3r h ARG 1732Cb 1.16 -0.10 -0.32 0.00 -0.42 0.00 0.00 29.97 30.29 2i3r h ARG 1732CO 0.70 0.97 -0.84 0.71 -1.51 0.00 0.00 179.97 180.00 2i3r s TYR 1733N -5.08 1.78 0.25 2.20 2.02 -1.26 -5.03 117.35 112.23 2i3r s TYR 1733Ca -0.12 -0.58 0.26 0.00 -0.37 0.00 0.00 57.07 56.26 2i3r s TYR 1733Cb 0.13 -1.22 1.18 0.00 -0.40 0.00 0.00 41.96 41.65 2i3r s TYR 1733CO 0.84 -0.23 1.94 -0.97 -1.57 0.00 0.00 175.55 175.56 2i3r h ASN 1734N 6.50 0.00 -0.23 2.29 -0.00 -1.97 -2.57 115.58 119.60 2i3r h ASN 1734Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.00 2i3r h ASN 1734Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.51 2i3r h ASN 1734CO 0.48 0.17 0.00 -0.46 -0.00 0.00 0.00 177.43 177.61 2i3r n ASN 1735N -3.45 3.61 -3.73 1.15 6.94 -1.26 -4.78 115.26 113.74 2i3r n ASN 1735Ca -0.01 -2.96 -0.30 0.00 -0.02 0.00 0.00 54.58 51.30 2i3r n ASN 1735Cb 0.34 -0.51 -0.13 0.00 -2.36 0.00 0.00 39.78 37.12 2i3r n ASN 1735CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2i3r s ILE 1736N -2.71 1.36 0.09 1.53 -1.09 -0.97 -5.10 121.20 114.31 2i3r s ILE 1736Ca 0.39 -2.34 0.06 0.00 -2.23 0.00 0.00 60.65 56.54 2i3r s ILE 1736Cb 0.32 -1.96 -0.03 0.00 -1.58 0.00 0.00 42.46 39.20 2i3r s ILE 1736CO 0.08 -0.84 -0.17 -0.76 -1.23 0.00 0.00 174.94 172.03 2i3r s LEU 1737N 0.61 2.31 0.31 2.97 1.43 -1.26 -4.69 118.68 120.36 2i3r s LEU 1737Ca 0.16 -0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 52.29 2i3r s LEU 1737Cb -0.23 -0.65 -0.10 0.00 0.03 0.00 0.00 46.19 45.24 2i3r s LEU 1737CO -0.04 -0.04 1.16 -2.16 0.23 0.00 0.00 176.35 175.49 2i3r s PRO 1738N -2.00 4.47 0.33 1.29 0.04 -1.26 -4.69 135.00 133.18 2i3r s PRO 1738Ca 0.03 1.89 -0.28 0.00 0.04 0.00 0.00 61.00 62.68 2i3r s PRO 1738Cb -0.09 -3.06 -0.13 0.00 0.04 0.00 0.00 34.50 31.26 2i3r s PRO 1738CO 0.03 0.03 1.25 0.66 0.04 0.00 0.00 177.00 179.01 2i3r n TYR 1739N 0.88 2.12 -0.34 0.56 4.01 -1.26 -4.52 117.16 118.61 2i3r n TYR 1739Ca 0.00 0.57 0.06 0.00 -0.16 0.00 0.00 57.90 58.37 2i3r n TYR 1739Cb 0.44 -2.39 0.24 0.00 -0.31 0.00 0.00 39.34 37.32 2i3r n TYR 1739CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2i3r h ASP 1740N 2.54 0.93 0.55 7.72 3.32 -0.92 -2.44 116.42 128.11 2i3r h ASP 1740Ca -0.45 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 2i3r h ASP 1740Cb 1.29 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 2i3r h ASP 1740CO 0.63 0.54 -0.06 0.00 -1.72 0.00 0.00 179.24 178.63 2i3r h ALA 1741N 1.52 1.10 0.00 3.45 0.00 -1.92 -3.19 119.26 120.22 2i3r h ALA 1741Ca 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2i3r h ALA 1741Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2i3r h ALA 1741CO -0.21 0.07 0.00 0.25 0.00 0.00 0.00 179.25 179.36 2i3r n THR 1742N -3.30 0.38 -2.46 0.00 -2.24 -1.01 -5.08 114.28 100.58 2i3r n THR 1742Ca -0.01 -0.42 -0.34 0.00 -2.27 0.00 0.00 64.05 61.01 2i3r n THR 1742Cb 0.24 0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 2i3r n THR 1742CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i3r s ARG 1743N -0.38 3.71 -0.03 -0.78 1.70 -0.95 -1.41 118.95 120.81 2i3r s ARG 1743Ca 0.00 1.34 -0.30 0.00 -0.47 0.00 0.00 55.73 56.30 2i3r s ARG 1743Cb 0.00 -2.08 -0.03 0.00 -0.57 0.00 0.00 34.95 32.27 2i3r s ARG 1743CO 0.00 -0.50 0.99 0.08 -1.08 0.00 0.00 175.30 174.79 2i3r s VAL 1744N -2.05 4.85 -0.11 4.99 1.01 -0.63 -4.75 120.40 123.71 2i3r s VAL 1744Ca 0.67 2.06 -0.05 0.00 0.00 0.00 0.00 61.98 64.65 2i3r s VAL 1744Cb -0.16 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 2i3r s VAL 1744CO 0.23 0.12 0.08 -0.54 0.00 0.00 0.00 175.10 174.99 2i3r s LYS 1745N 1.25 3.30 0.39 2.72 1.02 -1.26 -4.13 119.74 123.02 2i3r s LYS 1745Ca 0.51 -0.25 -0.19 0.00 0.02 0.00 0.00 55.97 56.06 2i3r s LYS 1745Cb -0.20 -3.04 -0.10 0.00 -0.52 0.00 0.00 37.83 33.96 2i3r s LYS 1745CO 0.26 0.72 0.88 -0.51 -0.92 0.00 0.00 175.35 175.77 2i3r s LEU 1746N -0.89 4.00 -0.27 3.17 1.43 0.44 -5.04 118.68 121.52 2i3r s LEU 1746Ca 0.14 1.56 -0.03 0.00 -1.03 0.00 0.00 54.13 54.77 2i3r s LEU 1746Cb -0.12 -4.36 -0.06 0.00 0.03 0.00 0.00 46.19 41.69 2i3r s LEU 1746CO 0.03 -0.29 1.57 -1.54 0.23 0.00 0.00 176.35 176.35 2i3r n SER 1747N -0.48 2.27 -2.47 2.29 3.41 -1.26 -4.57 113.62 112.80 2i3r n SER 1747Ca 0.06 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 2i3r n SER 1747Cb 0.54 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2i3r n SER 1747CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i3r n SER 1755N 2.06 0.00 -0.39 0.00 3.41 -1.26 -2.89 113.62 114.54 2i3r n SER 1755Ca 0.00 0.15 0.13 0.00 -0.26 0.00 0.00 58.87 58.89 2i3r n SER 1755Cb 0.00 -0.35 0.54 0.00 -0.26 0.00 0.00 64.21 64.14 2i3r n SER 1755CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2i3r n ASP 1756N -1.35 1.21 -4.72 4.04 5.75 -1.26 -4.77 116.55 115.45 2i3r n ASP 1756Ca 0.08 -1.49 -0.38 0.00 -0.01 0.00 0.00 54.79 52.99 2i3r n ASP 1756Cb 0.19 -0.03 -0.06 0.00 -1.03 0.00 0.00 41.12 40.19 2i3r n ASP 1756CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2i3r s TYR 1757N -1.93 3.52 0.04 2.11 5.04 -1.14 -0.42 117.35 124.56 2i3r s TYR 1757Ca 0.37 0.97 0.02 0.00 -2.44 0.00 0.00 57.07 55.98 2i3r s TYR 1757Cb 0.19 -2.62 -0.02 0.00 0.35 0.00 0.00 41.96 39.86 2i3r s TYR 1757CO 0.31 0.13 -0.06 -1.50 -1.34 0.00 0.00 175.55 173.09 2i3r s ILE 1758N 0.72 0.42 -1.15 3.14 2.07 -1.26 -4.90 121.20 120.25 2i3r s ILE 1758Ca 0.29 -1.02 -0.21 0.00 -1.41 0.00 0.00 60.65 58.30 2i3r s ILE 1758Cb -0.16 -0.51 0.05 0.00 0.13 0.00 0.00 42.46 41.97 2i3r s ILE 1758CO 0.12 -0.40 1.64 0.21 -1.91 0.00 0.00 174.94 174.59 2i3r s ASN 1759N -1.52 6.49 -0.02 4.50 3.84 -1.26 -4.68 114.94 122.29 2i3r s ASN 1759Ca -0.11 -1.88 -0.24 0.00 0.21 0.00 0.00 52.86 50.84 2i3r s ASN 1759Cb -0.10 -2.58 0.05 0.00 -0.55 0.00 0.00 41.25 38.08 2i3r s ASN 1759CO 0.00 -1.52 0.53 0.00 -2.79 0.00 0.00 177.10 173.32 2i3r s ALA 1760N 5.28 -1.35 0.00 1.71 0.00 -1.26 -2.74 121.76 123.40 2i3r s ALA 1760Ca 0.52 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2i3r s ALA 1760Cb 0.01 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.24 2i3r s ALA 1760CO 0.00 -0.36 -0.01 -1.12 0.00 0.00 0.00 175.76 174.27 2i3r s SER 1761N -1.41 0.08 0.25 0.00 0.01 -0.04 -1.61 113.70 110.98 2i3r s SER 1761Ca -0.11 -0.07 -0.30 0.00 1.31 0.00 0.00 55.95 56.79 2i3r s SER 1761Cb -0.02 0.01 -0.09 0.00 0.21 0.00 0.00 66.02 66.13 2i3r s SER 1761CO 0.06 -0.03 1.20 -0.31 0.41 0.00 0.00 173.24 174.56 2i3r s TYR 1762N -0.20 3.37 -0.05 2.43 2.02 -0.50 -0.80 117.35 123.62 2i3r s TYR 1762Ca -0.02 1.49 0.02 0.00 -0.37 0.00 0.00 57.07 58.19 2i3r s TYR 1762Cb -0.01 -3.46 0.02 0.00 -0.40 0.00 0.00 41.96 38.11 2i3r s TYR 1762CO -0.00 -1.21 -0.08 0.42 -1.57 0.00 0.00 175.55 173.11 2i3r s ILE 1763N -0.67 0.83 0.57 2.71 -1.09 0.26 -4.85 121.20 118.96 2i3r s ILE 1763Ca 0.49 -0.30 -0.18 0.00 -2.23 0.00 0.00 60.65 58.44 2i3r s ILE 1763Cb -0.34 -0.79 -0.04 0.00 -1.58 0.00 0.00 42.46 39.70 2i3r s ILE 1763CO 0.42 0.29 1.10 -2.84 -1.23 0.00 0.00 174.94 172.67 2i3r s PRO 1764N 0.77 3.28 0.00 2.79 0.02 -0.68 -1.42 135.00 139.75 2i3r s PRO 1764Ca -0.13 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.33 2i3r s PRO 1764Cb -0.15 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.36 2i3r s PRO 1764CO 0.02 -0.88 0.00 0.41 -0.33 0.00 0.00 177.00 176.22 2i3r n GLY 1765N -0.29 4.27 0.29 0.52 0.00 -0.29 -4.78 105.19 104.92 2i3r n GLY 1765Ca 0.10 -2.07 0.14 0.00 0.00 0.00 0.00 46.02 44.19 2i3r n GLY 1765CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2i3r h ASN 1766N 0.00 0.00 0.00 1.61 2.35 -1.96 -3.36 115.58 114.22 2i3r h ASN 1766Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2i3r h ASN 1766Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2i3r h ASN 1766CO 0.00 0.02 -1.16 0.59 -1.65 0.00 0.00 177.43 175.22 2i3r n ASN 1767N -3.91 0.34 -4.28 5.81 3.02 -1.26 -5.10 115.26 109.87 2i3r n ASN 1767Ca -0.03 0.03 -0.15 0.00 -0.03 0.00 0.00 54.58 54.40 2i3r n ASN 1767Cb 0.10 -0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 39.08 2i3r n ASN 1767CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2i3r s PHE 1768N -2.05 1.38 0.24 3.10 -0.71 -1.26 -5.09 117.98 113.59 2i3r s PHE 1768Ca -0.04 -0.87 0.01 0.00 -1.04 0.00 0.00 56.93 54.99 2i3r s PHE 1768Cb 0.02 -0.76 0.29 0.00 -1.21 0.00 0.00 43.02 41.35 2i3r s PHE 1768CO 0.05 -0.01 1.62 0.00 -1.34 0.00 0.00 175.22 175.54 2i3r h ARG 1769N 2.63 0.45 -1.97 1.99 3.08 -1.90 -0.75 114.38 117.92 2i3r h ARG 1769Ca -0.37 -0.23 -0.63 0.00 0.07 0.00 0.00 59.98 58.82 2i3r h ARG 1769Cb 1.21 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.87 2i3r h ARG 1769CO 0.64 0.79 -0.33 0.54 -1.07 0.00 0.00 179.97 180.54 2i3r n ARG 1770N -4.02 3.50 0.19 0.04 1.74 -1.26 -1.69 116.66 115.16 2i3r n ARG 1770Ca -0.02 -4.58 0.05 0.00 -0.77 0.00 0.00 57.85 52.53 2i3r n ARG 1770Cb 0.51 -2.27 0.36 0.00 -1.02 0.00 0.00 32.46 30.03 2i3r n ARG 1770CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2i3r h GLU 1771N 2.96 0.00 -5.37 5.56 5.08 -1.45 -3.38 114.58 117.98 2i3r h GLU 1771Ca 0.28 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 58.23 2i3r h GLU 1771Cb 0.59 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.64 2i3r h GLU 1771CO 0.93 0.39 -0.77 0.71 -1.00 0.00 0.00 179.01 179.27 2i3r s TYR 1772N -3.80 1.27 -0.17 4.33 2.02 -0.51 -1.39 117.35 119.11 2i3r s TYR 1772Ca -0.01 -0.50 -0.02 0.00 -0.37 0.00 0.00 57.07 56.17 2i3r s TYR 1772Cb 0.12 -0.70 -0.01 0.00 -0.40 0.00 0.00 41.96 40.97 2i3r s TYR 1772CO 0.70 0.08 -0.10 0.42 -1.57 0.00 0.00 175.55 175.08 2i3r s ILE 1773N -1.59 3.14 -0.09 2.71 1.01 0.01 -0.57 121.20 125.81 2i3r s ILE 1773Ca 0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 2i3r s ILE 1773Cb -0.08 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 2i3r s ILE 1773CO 0.02 0.48 -0.04 -0.69 0.00 0.00 0.00 174.94 174.71 2i3r s VAL 1774N 0.90 3.91 0.12 2.92 1.01 0.02 -0.41 120.40 128.87 2i3r s VAL 1774Ca -0.02 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 2i3r s VAL 1774Cb -0.15 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.61 2i3r s VAL 1774CO 0.00 0.59 0.29 0.28 0.00 0.00 0.00 175.10 176.26 2i3r s THR 1775N -0.66 0.10 0.80 3.92 -1.32 -0.90 -0.86 115.64 116.71 2i3r s THR 1775Ca 0.10 -1.04 -0.11 0.00 -1.21 0.00 0.00 61.69 59.43 2i3r s THR 1775Cb -0.12 -1.43 0.07 0.00 -1.51 0.00 0.00 72.50 69.52 2i3r s THR 1775CO 0.02 -0.45 1.09 0.00 -2.21 0.00 0.00 174.62 173.07 2i3r s GLN 1776N -3.87 2.08 0.08 7.08 -2.07 -1.11 -3.69 119.66 118.16 2i3r s GLN 1776Ca 0.08 0.89 -0.30 0.00 -1.82 0.00 0.00 55.36 54.21 2i3r s GLN 1776Cb 0.03 -1.90 -0.09 0.00 -1.09 0.00 0.00 33.01 29.96 2i3r s GLN 1776CO -0.08 -1.69 1.87 0.20 -1.32 0.00 0.00 175.29 174.27 2i3r s GLY 1777N -3.61 1.41 0.34 2.60 0.00 0.17 -4.86 107.32 103.37 2i3r s GLY 1777Ca 0.61 1.36 -0.26 0.00 0.00 0.00 0.00 44.72 46.43 2i3r s GLY 1777CO 0.56 3.26 0.92 -1.05 0.00 0.00 0.00 173.10 176.79 2i3r n PRO 1778N 6.51 1.18 -2.90 2.90 -0.02 -1.26 -4.66 135.00 136.76 2i3r n PRO 1778Ca 0.18 0.42 -0.26 0.00 -2.02 0.00 0.00 63.50 61.83 2i3r n PRO 1778Cb 0.40 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 2i3r n PRO 1778CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2i3r s LEU 1779N 0.46 3.71 0.37 2.45 1.43 -1.26 -1.03 118.68 124.81 2i3r s LEU 1779Ca 0.61 0.66 0.13 0.00 -1.03 0.00 0.00 54.13 54.50 2i3r s LEU 1779Cb -0.65 -3.57 0.95 0.00 0.03 0.00 0.00 46.19 42.95 2i3r s LEU 1779CO 0.59 -0.55 1.81 -0.65 0.23 0.00 0.00 176.35 177.78 2i3r h PRO 1780N 0.38 0.54 -0.01 1.29 0.11 -1.96 -0.33 132.00 132.02 2i3r h PRO 1780Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2i3r h PRO 1780Cb 1.22 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2i3r h PRO 1780CO 0.61 0.36 -0.23 0.41 -0.21 0.00 0.00 178.00 178.93 2i3r n GLY 1781N -1.44 -0.70 0.05 -0.55 0.00 -1.26 -3.77 105.19 97.52 2i3r n GLY 1781Ca 0.22 -0.37 0.01 0.00 0.00 0.00 0.00 46.02 45.87 2i3r n GLY 1781CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2i3r n THR 1782N -0.74 0.00 0.14 2.61 -2.24 -0.36 -4.75 114.28 108.94 2i3r n THR 1782Ca 0.12 -0.49 0.05 0.00 -2.27 0.00 0.00 64.05 61.46 2i3r n THR 1782Cb 0.33 1.03 0.48 0.00 -2.10 0.00 0.00 70.33 70.07 2i3r n THR 1782CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2i3r h LYS 1783N 0.26 0.23 -0.40 -0.78 2.10 -1.21 0.12 116.57 116.89 2i3r h LYS 1783Ca 0.00 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.59 2i3r h LYS 1783Cb 0.06 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.33 2i3r h LYS 1783CO 0.00 0.25 0.12 -0.44 -2.00 0.00 0.00 179.45 177.37 2i3r h ASP 1784N 0.23 0.59 -0.86 7.07 3.32 -1.85 -2.13 116.42 122.79 2i3r h ASP 1784Ca 0.05 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 56.94 2i3r h ASP 1784Cb 0.15 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 2i3r h ASP 1784CO 0.00 0.65 0.54 0.44 -1.72 0.00 0.00 179.24 179.15 2i3r h ASP 1785N 0.50 0.87 0.02 6.45 3.32 -1.63 -0.87 116.42 125.08 2i3r h ASP 1785Ca 0.13 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.21 2i3r h ASP 1785Cb 0.28 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 2i3r h ASP 1785CO -0.00 0.57 -0.23 0.15 -1.72 0.00 0.00 179.24 178.01 2i3r h PHE 1786N 1.01 -0.62 -0.44 4.55 3.57 -0.77 -0.58 116.94 123.65 2i3r h PHE 1786Ca 0.36 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.78 2i3r h PHE 1786Cb 0.10 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2i3r h PHE 1786CO -0.03 -0.32 -0.13 -1.49 -2.23 0.00 0.00 178.31 174.11 2i3r h TRP 1787N -0.38 0.91 -0.54 0.41 4.06 -1.24 -0.89 115.95 118.29 2i3r h TRP 1787Ca 0.06 -0.18 0.05 0.00 2.06 0.00 0.00 58.89 60.88 2i3r h TRP 1787Cb 0.45 -0.23 -0.05 0.00 -1.00 0.00 0.00 29.16 28.33 2i3r h TRP 1787CO -0.26 0.90 0.27 -0.22 -3.56 0.00 0.00 178.44 175.57 2i3r h LYS 1788N 0.74 0.51 -0.27 0.49 3.64 -0.98 0.10 116.57 120.80 2i3r h LYS 1788Ca 0.12 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 2i3r h LYS 1788Cb 0.63 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 2i3r h LYS 1788CO 0.04 0.34 -0.03 1.98 -2.27 0.00 0.00 179.45 179.51 2i3r h MET 1789N 0.53 0.04 -0.61 1.90 4.05 -0.65 0.63 114.93 120.82 2i3r h MET 1789Ca 0.24 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.68 2i3r h MET 1789Cb 0.15 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.90 2i3r h MET 1789CO -0.16 0.03 0.37 0.28 0.23 0.00 0.00 176.91 177.66 2i3r h VAL 1790N 0.04 1.07 0.71 -5.77 2.07 -0.55 -0.02 116.25 113.81 2i3r h VAL 1790Ca 0.13 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2i3r h VAL 1790Cb 0.18 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2i3r h VAL 1790CO -0.25 0.13 -0.49 -0.25 0.02 0.00 0.00 177.57 176.74 2i3r h TRP 1791N 0.73 -1.32 -0.36 1.57 2.91 -0.63 -1.13 115.95 117.72 2i3r h TRP 1791Ca 0.25 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.24 2i3r h TRP 1791Cb 0.02 0.48 -0.02 0.00 -0.51 0.00 0.00 29.16 29.14 2i3r h TRP 1791CO -0.05 -0.71 0.17 0.93 -1.03 0.00 0.00 178.44 177.74 2i3r h GLU 1792N -1.14 0.50 -0.39 2.65 5.08 -0.67 -2.43 114.58 118.17 2i3r h GLU 1792Ca -0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2i3r h GLU 1792Cb 0.93 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2i3r h GLU 1792CO 0.06 0.40 0.00 1.04 -1.00 0.00 0.00 179.01 179.51 2i3r n GLN 1793N -4.41 2.07 -3.77 2.33 1.13 -0.04 -4.93 117.38 109.76 2i3r n GLN 1793Ca 0.02 -1.64 -0.25 0.00 -1.94 0.00 0.00 57.00 53.19 2i3r n GLN 1793Cb 0.12 -1.39 0.04 0.00 0.11 0.00 0.00 30.24 29.11 2i3r n GLN 1793CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2i3r n ASN 1794N 0.84 -3.22 -4.73 1.08 5.15 -0.92 -3.82 115.26 109.65 2i3r n ASN 1794Ca 0.16 -0.77 -0.41 0.00 -0.60 0.00 0.00 54.58 52.96 2i3r n ASN 1794Cb 0.41 -4.11 -0.04 0.00 -0.53 0.00 0.00 39.78 35.51 2i3r n ASN 1794CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2i3r s VAL 1795N -3.47 4.44 -0.15 3.44 1.01 -0.45 -0.68 120.40 124.54 2i3r s VAL 1795Ca 0.34 1.99 0.04 0.00 0.00 0.00 0.00 61.98 64.34 2i3r s VAL 1795Cb -0.17 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2i3r s VAL 1795CO 0.81 0.29 0.14 1.41 0.00 0.00 0.00 175.10 177.75 2i3r n HIS 1796N 2.89 0.00 -4.44 5.22 8.25 -1.26 -4.85 115.22 121.03 2i3r n HIS 1796Ca 0.03 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.27 2i3r n HIS 1796Cb 0.49 -0.01 -0.16 0.00 1.12 0.00 0.00 29.99 31.42 2i3r n HIS 1796CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2i3r s ASN 1797N -1.48 1.43 -0.08 0.41 -0.87 -1.26 -0.51 114.94 112.57 2i3r s ASN 1797Ca 0.01 -0.23 0.03 0.00 -1.57 0.00 0.00 52.86 51.10 2i3r s ASN 1797Cb 0.03 -0.61 0.01 0.00 -0.02 0.00 0.00 41.25 40.65 2i3r s ASN 1797CO 0.15 0.02 -0.17 -0.63 -2.57 0.00 0.00 177.10 173.89 2i3r s ILE 1798N 0.62 1.54 -0.18 0.60 1.01 0.20 -1.70 121.20 123.30 2i3r s ILE 1798Ca -0.11 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 2i3r s ILE 1798Cb -0.14 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 2i3r s ILE 1798CO 0.02 0.45 -0.07 -0.69 0.00 0.00 0.00 174.94 174.65 2i3r s VAL 1799N 0.54 3.41 -0.17 2.92 1.01 0.11 0.22 120.40 128.44 2i3r s VAL 1799Ca -0.16 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2i3r s VAL 1799Cb -0.17 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.72 2i3r s VAL 1799CO 0.06 0.47 -0.18 -0.32 0.00 0.00 0.00 175.10 175.13 2i3r s MET 1800N 0.85 3.09 -0.39 2.72 0.00 0.07 -0.96 119.30 124.67 2i3r s MET 1800Ca -0.02 -0.80 0.06 0.00 0.00 0.00 0.00 55.69 54.93 2i3r s MET 1800Cb -0.15 -2.59 0.43 0.00 0.00 0.00 0.00 34.83 32.53 2i3r s MET 1800CO 0.01 -0.10 1.14 1.33 0.00 0.00 0.00 175.02 177.40 2i3r n VAL 1801N 4.36 2.43 -3.77 10.11 0.24 -0.17 -0.68 118.33 130.85 2i3r n VAL 1801Ca -0.20 -4.70 -0.11 0.00 -2.04 0.00 0.00 64.34 57.29 2i3r n VAL 1801Cb 0.51 -1.23 -0.07 0.00 -1.47 0.00 0.00 33.84 31.58 2i3r n VAL 1801CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2i3r s THR 1802N -5.23 0.10 0.59 3.34 -1.32 -1.25 -4.76 115.64 107.10 2i3r s THR 1802Ca 0.49 -0.80 -0.09 0.00 -1.21 0.00 0.00 61.69 60.08 2i3r s THR 1802Cb 0.40 -1.07 -0.02 0.00 -1.51 0.00 0.00 72.50 70.30 2i3r s THR 1802CO -0.12 -0.44 0.95 -1.10 -2.21 0.00 0.00 174.62 171.70 2i3r s GLN 1803N -3.09 3.36 0.25 7.08 -0.21 -1.26 -4.83 119.66 120.96 2i3r s GLN 1803Ca -0.01 0.44 -0.04 0.00 0.02 0.00 0.00 55.36 55.77 2i3r s GLN 1803Cb 0.01 -2.18 0.28 0.00 1.00 0.00 0.00 33.01 32.12 2i3r s GLN 1803CO -0.07 -0.56 1.79 0.00 -2.12 0.00 0.00 175.29 174.33 2i3r s VAL 1805N -5.32 0.35 -0.20 0.00 1.01 -1.26 0.27 120.40 115.25 2i3r s VAL 1805Ca -0.11 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.84 2i3r s VAL 1805Cb 0.15 -0.39 0.04 0.00 0.00 0.00 0.00 36.38 36.18 2i3r s VAL 1805CO 0.82 0.17 -0.12 -1.61 0.00 0.00 0.00 175.10 174.36 2i3r s GLU 1806N 0.77 2.25 -1.54 2.72 2.02 -0.40 -4.72 118.70 119.80 2i3r s GLU 1806Ca -0.09 -0.91 -0.04 0.00 0.02 0.00 0.00 54.97 53.96 2i3r s GLU 1806Cb -0.12 -2.50 0.04 0.00 0.10 0.00 0.00 34.13 31.64 2i3r s GLU 1806CO -0.01 -0.40 0.26 1.63 0.02 0.00 0.00 175.26 176.77 2i3r n LYS 1807N 4.64 -1.92 0.00 1.61 5.02 -1.26 -1.28 118.16 124.96 2i3r n LYS 1807Ca -0.16 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2i3r n LYS 1807Cb 0.47 -4.14 0.00 0.00 -0.02 0.00 0.00 35.03 31.34 2i3r n LYS 1807CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2i3r n GLY 1808N -2.15 1.89 3.60 0.72 0.00 -1.26 -5.01 105.19 102.99 2i3r n GLY 1808Ca -0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 2i3r n GLY 1808CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2i3r s ARG 1809N -0.45 4.00 0.08 1.61 0.52 -0.41 -5.04 118.95 119.26 2i3r s ARG 1809Ca 0.00 0.10 -0.31 0.00 -0.52 0.00 0.00 55.73 55.00 2i3r s ARG 1809Cb 0.00 -3.67 -0.08 0.00 0.52 0.00 0.00 34.95 31.72 2i3r s ARG 1809CO 0.00 -0.32 1.62 0.08 0.02 0.00 0.00 175.30 176.70 2i3r s VAL 1810N 2.15 3.05 -0.03 3.52 1.01 -1.26 -1.27 120.40 127.56 2i3r s VAL 1810Ca 0.17 0.54 0.03 0.00 0.00 0.00 0.00 61.98 62.72 2i3r s VAL 1810Cb -0.16 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 2i3r s VAL 1810CO 0.10 0.00 0.03 0.29 0.00 0.00 0.00 175.10 175.52 2i3r n LYS 1811N 5.37 2.76 -3.60 2.72 4.76 0.14 -4.95 118.16 125.37 2i3r n LYS 1811Ca 0.15 -0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.45 2i3r n LYS 1811Cb 0.41 -1.09 -0.07 0.00 -1.84 0.00 0.00 35.03 32.44 2i3r n LYS 1811CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i3r s ASP 1813N -0.17 5.85 -1.18 0.00 2.15 -0.19 -4.58 116.67 118.54 2i3r s ASP 1813Ca -0.02 2.24 -0.20 0.00 0.43 0.00 0.00 52.55 55.01 2i3r s ASP 1813Cb -0.03 -2.59 0.06 0.00 -0.30 0.00 0.00 42.92 40.05 2i3r s ASP 1813CO 0.01 -1.14 1.62 -2.28 -0.17 0.00 0.00 175.17 173.22 2i3r s HIS 1814N -1.67 2.65 -2.33 -5.34 5.65 -1.26 -4.78 115.29 108.21 2i3r s HIS 1814Ca 0.70 -1.24 0.25 0.00 0.25 0.00 0.00 55.06 55.02 2i3r s HIS 1814Cb -0.26 -4.72 1.06 0.00 -1.18 0.00 0.00 32.58 27.48 2i3r s HIS 1814CO 0.30 -1.86 1.74 2.48 -0.65 0.00 0.00 174.74 176.75 2i3r n TYR 1815N 8.75 0.07 -4.32 3.88 0.18 -1.26 -4.79 117.16 119.66 2i3r n TYR 1815Ca 0.42 -0.03 -0.24 0.00 1.88 0.00 0.00 57.90 59.93 2i3r n TYR 1815Cb 0.48 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.36 2i3r n TYR 1815CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2i3r s TRP 1816N -1.93 2.56 0.39 -3.48 -2.14 -1.26 -5.03 118.94 108.05 2i3r s TRP 1816Ca 0.37 -0.39 -0.23 0.00 2.66 0.00 0.00 56.10 58.50 2i3r s TRP 1816Cb 0.19 -1.41 -0.13 0.00 -3.10 0.00 0.00 33.47 29.02 2i3r s TRP 1816CO 0.31 0.51 0.62 -2.30 -2.66 0.00 0.00 176.95 173.42 2i3r n PRO 1817N -0.93 0.65 0.16 3.25 -0.02 -1.26 -4.93 135.00 131.93 2i3r n PRO 1817Ca -0.05 0.24 0.02 0.00 -2.02 0.00 0.00 63.50 61.69 2i3r n PRO 1817Cb 0.62 -1.53 0.27 0.00 -0.02 0.00 0.00 33.50 32.83 2i3r n PRO 1817CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2i3r h ALA 1818N 0.98 1.07 -3.00 3.55 0.00 -1.94 -3.48 119.26 116.44 2i3r h ALA 1818Ca -0.40 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2i3r h ALA 1818Cb 1.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2i3r h ALA 1818CO 0.53 0.61 0.00 -0.40 0.00 0.00 0.00 179.25 179.99 2i3r n ASP 1819N -3.77 0.00 0.00 0.00 5.68 -1.26 -5.02 116.55 112.18 2i3r n ASP 1819Ca -0.01 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.36 2i3r n ASP 1819Cb 0.53 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 40.99 2i3r n ASP 1819CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2i3r n GLN 1820N 0.00 0.84 -3.18 0.11 1.13 -1.26 -4.44 117.38 110.58 2i3r n GLN 1820Ca 0.00 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.67 2i3r n GLN 1820Cb 0.00 -1.30 -0.05 0.00 0.11 0.00 0.00 30.24 28.99 2i3r n GLN 1820CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2i3r s ASP 1821N -1.66 6.80 0.78 1.08 1.11 -1.26 -4.57 116.67 118.94 2i3r s ASP 1821Ca 0.24 0.96 -0.11 0.00 0.18 0.00 0.00 52.55 53.82 2i3r s ASP 1821Cb 0.11 -2.34 0.06 0.00 1.07 0.00 0.00 42.92 41.81 2i3r s ASP 1821CO 0.19 -0.08 1.09 -0.44 1.18 0.00 0.00 175.17 177.10 2i3r s SER 1822N 0.77 4.66 -0.14 0.27 0.01 -1.26 -4.73 113.70 113.28 2i3r s SER 1822Ca 0.31 1.42 -0.17 0.00 1.31 0.00 0.00 55.95 58.82 2i3r s SER 1822Cb -0.16 -2.19 0.04 0.00 0.21 0.00 0.00 66.02 63.92 2i3r s SER 1822CO 0.13 -1.88 0.45 -0.76 0.41 0.00 0.00 173.24 171.59 2i3r s LEU 1823N -5.75 0.30 0.24 2.44 1.43 -0.76 -5.01 118.68 111.57 2i3r s LEU 1823Ca 0.60 0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 54.16 2i3r s LEU 1823Cb -0.15 1.58 -0.09 0.00 0.03 0.00 0.00 46.19 47.56 2i3r s LEU 1823CO 0.55 -0.24 1.04 -0.31 0.23 0.00 0.00 176.35 177.61 2i3r s TYR 1824N -0.13 3.74 -0.39 0.29 2.02 -1.26 -1.35 117.35 120.27 2i3r s TYR 1824Ca -0.03 1.77 0.03 0.00 -0.37 0.00 0.00 57.07 58.47 2i3r s TYR 1824Cb -0.03 -3.16 0.11 0.00 -0.40 0.00 0.00 41.96 38.48 2i3r s TYR 1824CO 0.02 -0.16 0.14 0.71 -1.57 0.00 0.00 175.55 174.69 2i3r s TYR 1825N -0.99 2.91 0.00 2.71 1.51 0.46 -4.97 117.35 118.98 2i3r s TYR 1825Ca 0.44 -2.68 0.00 0.00 -1.01 0.00 0.00 57.07 53.82 2i3r s TYR 1825Cb -0.29 -2.48 0.00 0.00 -0.11 0.00 0.00 41.96 39.08 2i3r s TYR 1825CO 0.36 -0.86 0.00 0.41 -1.11 0.00 0.00 175.55 174.35 2i3r n GLY 1826N 4.01 2.84 1.63 0.71 0.00 -1.26 -2.04 105.19 111.07 2i3r n GLY 1826Ca 0.04 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.91 2i3r n GLY 1826CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i3r n ASP 1827N 7.14 4.85 -4.63 1.61 8.00 -1.26 -4.91 116.55 127.35 2i3r n ASP 1827Ca 0.00 -2.54 -0.29 0.00 0.71 0.00 0.00 54.79 52.67 2i3r n ASP 1827Cb 0.00 -0.60 -0.09 0.00 -0.02 0.00 0.00 41.12 40.41 2i3r n ASP 1827CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2i3r s LEU 1828N -1.99 3.22 -0.10 0.64 1.43 -0.87 -4.61 118.68 116.40 2i3r s LEU 1828Ca 0.50 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2i3r s LEU 1828Cb 0.34 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 2i3r s LEU 1828CO 0.22 0.15 -0.10 -0.63 0.23 0.00 0.00 176.35 176.22 2i3r s ILE 1829N -1.38 3.37 -0.07 -0.59 1.01 -0.45 -0.41 121.20 122.68 2i3r s ILE 1829Ca 0.24 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.37 2i3r s ILE 1829Cb -0.11 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 2i3r s ILE 1829CO 0.16 0.55 -0.24 -0.22 0.00 0.00 0.00 174.94 175.19 2i3r s LEU 1830N -0.17 2.10 -0.04 2.97 2.96 -0.46 -1.02 118.68 125.02 2i3r s LEU 1830Ca 0.01 -0.51 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 2i3r s LEU 1830Cb -0.13 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 2i3r s LEU 1830CO 0.03 0.22 -0.23 0.00 -1.32 0.00 0.00 176.35 175.05 2i3r s GLN 1831N -0.04 2.23 -0.23 1.98 -2.07 -0.07 -1.83 119.66 119.62 2i3r s GLN 1831Ca -0.07 -0.84 -0.21 0.00 -1.82 0.00 0.00 55.36 52.42 2i3r s GLN 1831Cb -0.15 -1.97 -0.02 0.00 -1.09 0.00 0.00 33.01 29.78 2i3r s GLN 1831CO 0.05 0.40 0.66 1.41 -1.32 0.00 0.00 175.29 176.49 2i3r s MET 1832N -0.25 4.16 -0.04 9.60 -2.45 -1.26 -0.65 119.30 128.40 2i3r s MET 1832Ca 0.00 0.64 0.18 0.00 -1.25 0.00 0.00 55.69 55.26 2i3r s MET 1832Cb -0.12 -3.63 -0.21 0.00 1.25 0.00 0.00 34.83 32.12 2i3r s MET 1832CO 0.02 -0.37 0.52 1.28 1.05 0.00 0.00 175.02 177.52 2i3r n LEU 1833N 5.54 0.42 -3.54 4.11 4.77 0.88 -4.48 117.00 124.70 2i3r n LEU 1833Ca 0.00 0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 56.07 2i3r n LEU 1833Cb 0.49 0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.73 2i3r n LEU 1833CO 0.44 0.22 0.72 -0.94 -1.33 0.00 0.00 177.39 176.50 2i3r s SER 1834N -5.42 -0.38 -0.23 -1.43 1.04 -1.18 -4.97 113.70 101.13 2i3r s SER 1834Ca -0.06 0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.57 2i3r s SER 1834Cb 0.09 0.35 0.11 0.00 0.10 0.00 0.00 66.02 66.67 2i3r s SER 1834CO 0.84 -0.48 0.25 -0.70 0.98 0.00 0.00 173.24 174.14 2i3r s GLU 1835N -2.02 0.24 -0.31 4.02 2.12 -1.26 -1.39 118.70 120.09 2i3r s GLU 1835Ca 0.01 0.11 -0.09 0.00 0.36 0.00 0.00 54.97 55.37 2i3r s GLU 1835Cb -0.01 -0.99 0.01 0.00 0.26 0.00 0.00 34.13 33.40 2i3r s GLU 1835CO -0.03 -0.77 0.13 -1.12 -0.54 0.00 0.00 175.26 172.93 2i3r s SER 1836N 2.35 5.39 -0.27 -1.70 0.01 0.12 -4.96 113.70 114.64 2i3r s SER 1836Ca 0.08 -0.68 -0.17 0.00 1.31 0.00 0.00 55.95 56.49 2i3r s SER 1836Cb -0.15 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 64.10 2i3r s SER 1836CO -0.19 -0.22 0.49 -0.69 0.41 0.00 0.00 173.24 173.04 2i3r s VAL 1837N 1.55 5.08 0.48 3.43 1.01 -1.26 -0.40 120.40 130.30 2i3r s VAL 1837Ca 0.03 0.78 0.07 0.00 0.00 0.00 0.00 61.98 62.86 2i3r s VAL 1837Cb -0.17 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.40 2i3r s VAL 1837CO 0.05 0.07 0.40 -0.76 0.00 0.00 0.00 175.10 174.86 2i3r s LEU 1838N 2.27 3.06 0.47 3.92 1.43 0.52 -5.00 118.68 125.35 2i3r s LEU 1838Ca 0.20 -0.99 0.16 0.00 -1.03 0.00 0.00 54.13 52.47 2i3r s LEU 1838Cb -0.16 -1.61 1.13 0.00 0.03 0.00 0.00 46.19 45.59 2i3r s LEU 1838CO 0.10 -0.88 2.01 -0.65 0.23 0.00 0.00 176.35 177.15 2i3r h PRO 1839N 0.89 0.27 0.00 1.29 0.11 -2.02 -3.29 132.00 129.24 2i3r h PRO 1839Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2i3r h PRO 1839Cb 1.28 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2i3r h PRO 1839CO 0.57 0.18 -0.14 0.39 -0.21 0.00 0.00 178.00 178.79 2i3r n GLU 1840N -4.46 4.02 -3.73 1.05 1.02 -1.26 -4.92 120.64 112.36 2i3r n GLU 1840Ca 0.08 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.12 2i3r n GLU 1840Cb 0.38 -0.43 -0.04 0.00 -0.02 0.00 0.00 31.44 31.32 2i3r n GLU 1840CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 2i3r s TRP 1841N -0.79 -0.08 -0.02 -0.32 -2.14 -1.24 -1.28 118.94 113.07 2i3r s TRP 1841Ca 0.00 -0.26 0.06 0.00 2.66 0.00 0.00 56.10 58.56 2i3r s TRP 1841Cb 0.00 0.28 -0.02 0.00 -3.10 0.00 0.00 33.47 30.64 2i3r s TRP 1841CO 0.00 -0.82 -0.21 0.99 -2.66 0.00 0.00 176.95 174.26 2i3r s THR 1842N -3.86 1.66 -0.15 0.66 2.01 0.48 -0.35 115.64 116.09 2i3r s THR 1842Ca 0.08 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.19 2i3r s THR 1842Cb 0.01 -1.38 -0.00 0.00 0.01 0.00 0.00 72.50 71.13 2i3r s THR 1842CO -0.06 0.47 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.56 2i3r s ILE 1843N -0.45 2.65 0.10 1.82 1.01 0.47 -0.69 121.20 126.12 2i3r s ILE 1843Ca 0.07 -0.78 0.10 0.00 0.00 0.00 0.00 60.65 60.04 2i3r s ILE 1843Cb -0.09 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 2i3r s ILE 1843CO -0.00 0.52 -0.25 -0.13 0.00 0.00 0.00 174.94 175.07 2i3r s ARG 1844N 0.77 1.41 -0.12 2.79 0.52 -0.48 0.10 118.95 123.94 2i3r s ARG 1844Ca -0.06 -1.24 0.02 0.00 -0.52 0.00 0.00 55.73 53.92 2i3r s ARG 1844Cb -0.15 -1.77 -0.01 0.00 0.52 0.00 0.00 34.95 33.53 2i3r s ARG 1844CO 0.01 0.43 -0.17 -1.21 0.02 0.00 0.00 175.30 174.37 2i3r s GLU 1845N -1.83 3.24 0.10 3.54 2.02 -0.49 -0.73 118.70 124.56 2i3r s GLU 1845Ca 0.11 -0.76 0.09 0.00 0.02 0.00 0.00 54.97 54.43 2i3r s GLU 1845Cb -0.10 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.59 2i3r s GLU 1845CO 0.05 0.21 -0.18 -0.06 0.02 0.00 0.00 175.26 175.29 2i3r s PHE 1846N 0.33 2.53 -0.11 1.61 0.08 0.15 -0.08 117.98 122.49 2i3r s PHE 1846Ca -0.14 -0.26 -0.01 0.00 0.12 0.00 0.00 56.93 56.64 2i3r s PHE 1846Cb -0.17 -1.37 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 2i3r s PHE 1846CO 0.07 0.36 -0.05 0.21 -0.10 0.00 0.00 175.22 175.70 2i3r s LYS 1847N -1.99 3.17 -0.05 0.44 2.20 0.18 -0.65 119.74 123.05 2i3r s LYS 1847Ca 0.17 -0.53 0.04 0.00 -0.36 0.00 0.00 55.97 55.29 2i3r s LYS 1847Cb -0.11 -2.74 -0.00 0.00 -1.51 0.00 0.00 37.83 33.47 2i3r s LYS 1847CO 0.09 0.48 -0.17 -1.50 -0.36 0.00 0.00 175.35 173.90 2i3r s ILE 1848N -0.30 1.40 -0.06 5.43 2.07 -0.65 -0.89 121.20 128.20 2i3r s ILE 1848Ca 0.05 -0.69 0.05 0.00 -1.41 0.00 0.00 60.65 58.64 2i3r s ILE 1848Cb -0.13 -1.22 -0.00 0.00 0.13 0.00 0.00 42.46 41.25 2i3r s ILE 1848CO 0.02 0.41 -0.21 0.00 -1.91 0.00 0.00 174.94 173.25 2i3r n GLY 1850N 3.20 0.00 0.00 0.00 0.00 -1.26 -1.34 105.19 105.78 2i3r n GLY 1850Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2i3r n GLY 1850CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i3r n ARG 1858N -0.39 0.00 -3.64 1.61 1.74 -1.24 -5.05 116.66 109.69 2i3r n ARG 1858Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 2i3r n ARG 1858Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 2i3r n ARG 1858CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2i3r s LEU 1859N 0.00 4.26 -0.05 0.55 1.43 -1.26 -1.63 118.68 121.97 2i3r s LEU 1859Ca 0.00 0.42 0.06 0.00 -1.03 0.00 0.00 54.13 53.59 2i3r s LEU 1859Cb 0.00 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 2i3r s LEU 1859CO 0.00 0.17 -0.24 -0.63 0.23 0.00 0.00 176.35 175.87 2i3r s ILE 1860N 0.22 2.14 -0.14 -0.59 -1.09 0.18 -4.75 121.20 117.17 2i3r s ILE 1860Ca 0.14 -1.04 -0.05 0.00 -2.23 0.00 0.00 60.65 57.47 2i3r s ILE 1860Cb -0.12 -1.77 -0.04 0.00 -1.58 0.00 0.00 42.46 38.95 2i3r s ILE 1860CO 0.02 0.57 0.03 -0.60 -1.23 0.00 0.00 174.94 173.73 2i3r s ARG 1861N -0.24 3.55 -0.19 2.79 3.52 0.33 -0.67 118.95 128.04 2i3r s ARG 1861Ca -0.01 -0.38 -0.01 0.00 -0.13 0.00 0.00 55.73 55.20 2i3r s ARG 1861Cb -0.13 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 2i3r s ARG 1861CO 0.03 0.45 -0.13 -1.58 -0.81 0.00 0.00 175.30 173.26 2i3r s HIS 1862N -0.17 2.85 -0.30 5.12 5.65 0.09 -0.62 115.29 127.90 2i3r s HIS 1862Ca 0.06 -1.20 -0.04 0.00 0.25 0.00 0.00 55.06 54.13 2i3r s HIS 1862Cb -0.12 -1.98 0.03 0.00 -1.18 0.00 0.00 32.58 29.33 2i3r s HIS 1862CO 0.02 -0.61 0.03 -0.06 -0.65 0.00 0.00 174.74 173.47 2i3r s PHE 1863N 1.21 3.20 -0.33 3.88 0.40 0.13 -1.38 117.98 125.09 2i3r s PHE 1863Ca 0.02 -1.53 0.01 0.00 -0.60 0.00 0.00 56.93 54.83 2i3r s PHE 1863Cb -0.14 -2.17 0.08 0.00 0.51 0.00 0.00 43.02 41.30 2i3r s PHE 1863CO -0.06 -0.73 0.04 -1.58 0.70 0.00 0.00 175.22 173.60 2i3r s HIS 1864N 1.35 3.51 -0.14 0.36 2.46 0.13 -0.75 115.29 122.21 2i3r s HIS 1864Ca -0.02 -2.48 -0.27 0.00 0.47 0.00 0.00 55.06 52.76 2i3r s HIS 1864Cb -0.19 -2.60 -0.01 0.00 -0.13 0.00 0.00 32.58 29.65 2i3r s HIS 1864CO -0.00 -0.91 0.92 -0.47 -2.47 0.00 0.00 174.74 171.81 2i3r s TYR 1865N 1.08 3.46 -0.85 3.88 5.04 0.15 -0.38 117.35 129.71 2i3r s TYR 1865Ca 0.02 1.41 0.07 0.00 -2.44 0.00 0.00 57.07 56.14 2i3r s TYR 1865Cb -0.20 -3.10 0.08 0.00 0.35 0.00 0.00 41.96 39.09 2i3r s TYR 1865CO -0.05 -0.24 0.81 0.25 -1.34 0.00 0.00 175.55 174.98 2i3r n THR 1866N 4.67 0.18 -0.85 4.34 -2.24 -0.41 -3.83 114.28 116.15 2i3r n THR 1866Ca 0.07 -0.59 0.03 0.00 -2.27 0.00 0.00 64.05 61.29 2i3r n THR 1866Cb 0.49 1.03 0.04 0.00 -2.10 0.00 0.00 70.33 69.79 2i3r n THR 1866CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2i3r n VAL 1867N 0.36 0.91 -1.69 2.28 0.24 -1.25 -4.84 118.33 114.34 2i3r n VAL 1867Ca 0.05 -1.02 -0.44 0.00 -2.04 0.00 0.00 64.34 60.88 2i3r n VAL 1867Cb 0.21 0.37 -0.04 0.00 -1.47 0.00 0.00 33.84 32.92 2i3r n VAL 1867CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 2i3r n TRP 1868N -0.60 2.51 -2.64 6.34 -0.00 -1.26 -4.93 117.44 116.86 2i3r n TRP 1868Ca 0.05 0.02 -0.43 0.00 -0.00 0.00 0.00 57.50 57.14 2i3r n TRP 1868Cb 0.49 -2.66 -0.03 0.00 -0.00 0.00 0.00 31.31 29.11 2i3r n TRP 1868CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 2i3r s PRO 1869N 2.12 3.55 0.00 5.87 0.04 -1.26 -4.90 135.00 140.41 2i3r s PRO 1869Ca 0.81 0.26 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2i3r s PRO 1869Cb -0.57 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 29.99 2i3r s PRO 1869CO 0.38 -1.54 0.00 -0.25 0.04 0.00 0.00 177.00 175.63 2i3r n ASP 1870N 8.06 0.00 -4.09 6.66 9.92 -1.26 -3.69 116.55 132.14 2i3r n ASP 1870Ca 0.08 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.16 2i3r n ASP 1870Cb 0.49 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.83 2i3r n ASP 1870CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 2i3r s HIS 1871N 0.00 1.01 0.00 1.24 3.76 -1.26 -5.14 115.29 114.91 2i3r s HIS 1871Ca 0.00 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 2i3r s HIS 1871Cb 0.00 -0.62 0.00 0.00 1.11 0.00 0.00 32.58 33.07 2i3r s HIS 1871CO 0.00 0.00 0.00 0.41 -0.85 0.00 0.00 174.74 174.30 2i3r n GLY 1872N 2.20 -2.11 3.96 -2.22 0.00 -1.24 -4.94 105.19 100.84 2i3r n GLY 1872Ca -0.17 -1.44 -0.22 0.00 0.00 0.00 0.00 46.02 44.20 2i3r n GLY 1872CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2i3r s VAL 1873N -0.10 3.89 0.58 1.61 -7.23 -1.26 -4.66 120.40 113.22 2i3r s VAL 1873Ca 0.00 -0.62 -0.19 0.00 -1.81 0.00 0.00 61.98 59.36 2i3r s VAL 1873Cb 0.00 -3.42 -0.06 0.00 0.56 0.00 0.00 36.38 33.46 2i3r s VAL 1873CO 0.00 -0.26 0.87 -2.65 -0.31 0.00 0.00 175.10 172.74 2i3r n PRO 1874N -2.01 0.85 0.06 4.82 -0.02 -1.26 -4.78 135.00 132.66 2i3r n PRO 1874Ca 0.02 0.33 0.04 0.00 -2.02 0.00 0.00 63.50 61.86 2i3r n PRO 1874Cb 0.58 -2.05 0.44 0.00 -0.02 0.00 0.00 33.50 32.45 2i3r n PRO 1874CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2i3r h GLU 1875N 0.53 0.41 -6.10 -0.52 4.81 -1.97 -3.43 114.58 108.32 2i3r h GLU 1875Ca -0.47 -0.04 -0.56 0.00 -0.13 0.00 0.00 59.36 58.16 2i3r h GLU 1875Cb 1.37 -0.08 -0.17 0.00 0.63 0.00 0.00 28.75 30.50 2i3r h GLU 1875CO 0.51 0.32 -0.78 0.95 -0.73 0.00 0.00 179.01 179.28 2i3r s THR 1876N -5.26 2.08 0.11 0.32 -4.23 -1.26 -5.03 115.64 102.36 2i3r s THR 1876Ca -0.07 -2.10 0.06 0.00 -1.18 0.00 0.00 61.69 58.40 2i3r s THR 1876Cb 0.17 -2.04 -0.22 0.00 1.34 0.00 0.00 72.50 71.75 2i3r s THR 1876CO 0.73 -0.33 1.23 0.71 -0.54 0.00 0.00 174.62 176.42 2i3r h THR 1877N 2.92 1.65 -0.99 3.99 1.35 -1.95 -3.34 112.91 116.53 2i3r h THR 1877Ca -0.42 -3.35 0.09 0.00 -0.55 0.00 0.00 66.41 62.17 2i3r h THR 1877Cb 1.22 2.84 -0.07 0.00 -1.73 0.00 0.00 68.15 70.41 2i3r h THR 1877CO 0.54 0.95 0.64 1.56 -0.25 0.00 0.00 175.52 178.95 2i3r h GLN 1878N 0.01 1.06 -0.11 4.72 4.20 -1.97 -1.87 115.11 121.15 2i3r h GLN 1878Ca -0.04 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.64 2i3r h GLN 1878Cb 1.80 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 29.31 2i3r h GLN 1878CO 0.14 0.70 -0.11 1.03 -0.67 0.00 0.00 178.83 179.91 2i3r h SER 1879N 1.09 -0.36 0.67 1.46 0.87 -2.00 -1.50 113.55 113.79 2i3r h SER 1879Ca 0.45 0.07 -0.27 0.00 -1.23 0.00 0.00 61.79 60.81 2i3r h SER 1879Cb 0.29 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2i3r h SER 1879CO -0.20 -0.15 -1.27 0.25 -0.53 0.00 0.00 176.83 174.92 2i3r h LEU 1880N -0.14 0.30 -0.24 2.23 5.85 -1.69 -2.74 115.31 118.88 2i3r h LEU 1880Ca 0.08 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.51 2i3r h LEU 1880Cb 0.26 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 2i3r h LEU 1880CO -0.20 1.28 -0.13 0.40 -0.34 0.00 0.00 178.44 179.45 2i3r h ILE 1881N 0.05 0.61 -0.72 4.05 2.04 -1.30 -0.18 117.51 122.07 2i3r h ILE 1881Ca -0.14 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 2i3r h ILE 1881Cb 1.94 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 2i3r h ILE 1881CO 0.17 0.00 0.26 1.56 0.00 0.00 0.00 178.15 180.14 2i3r h GLN 1882N -0.11 1.09 -0.18 2.37 1.08 -1.25 -1.35 115.11 116.76 2i3r h GLN 1882Ca 0.13 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 2i3r h GLN 1882Cb 0.30 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2i3r h GLN 1882CO -0.30 0.91 0.10 0.35 -0.95 0.00 0.00 178.83 178.94 2i3r h PHE 1883N 1.04 0.25 -0.59 2.96 3.57 -1.20 -1.14 116.94 121.81 2i3r h PHE 1883Ca 0.24 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.77 2i3r h PHE 1883Cb 0.25 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 2i3r h PHE 1883CO 0.02 0.22 0.34 0.28 -2.23 0.00 0.00 178.31 176.94 2i3r h VAL 1884N 0.20 1.02 -0.89 1.41 2.07 -0.73 -1.25 116.25 118.08 2i3r h VAL 1884Ca 0.06 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2i3r h VAL 1884Cb 0.06 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 2i3r h VAL 1884CO -0.01 0.12 0.46 0.03 0.02 0.00 0.00 177.57 178.19 2i3r h ARG 1885N 0.65 1.25 0.18 1.57 3.08 -0.98 0.39 114.38 120.53 2i3r h ARG 1885Ca 0.25 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2i3r h ARG 1885Cb 0.09 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2i3r h ARG 1885CO -0.14 0.93 -0.09 1.15 -1.07 0.00 0.00 179.97 180.76 2i3r h THR 1886N 1.25 0.84 -0.05 2.04 2.02 -0.80 -2.38 112.91 115.83 2i3r h THR 1886Ca 0.31 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.41 2i3r h THR 1886Cb 0.06 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2i3r h THR 1886CO -0.05 0.02 -0.03 0.58 0.37 0.00 0.00 175.52 176.41 2i3r h VAL 1887N -0.29 0.89 -0.57 3.16 2.07 -0.94 -2.92 116.25 117.66 2i3r h VAL 1887Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 2i3r h VAL 1887Cb 0.22 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2i3r h VAL 1887CO 0.04 0.00 0.38 -0.09 0.02 0.00 0.00 177.57 177.92 2i3r h ARG 1888N -0.04 0.69 -0.86 1.57 9.65 -0.94 -0.02 114.38 124.43 2i3r h ARG 1888Ca 0.03 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.89 2i3r h ARG 1888Cb 0.09 -0.16 -0.05 0.00 -1.39 0.00 0.00 29.97 28.46 2i3r h ARG 1888CO -0.07 0.46 0.56 0.22 2.80 0.00 0.00 179.97 183.94 2i3r h ASP 1889N 0.71 0.96 0.03 -3.80 1.82 -1.27 -1.03 116.42 113.84 2i3r h ASP 1889Ca 0.22 -0.02 -0.18 0.00 -0.39 0.00 0.00 57.03 56.66 2i3r h ASP 1889Cb 0.01 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 39.79 2i3r h ASP 1889CO -0.05 0.68 -0.66 1.88 -1.61 0.00 0.00 179.24 179.47 2i3r h TYR 1890N 1.13 0.77 -0.72 0.28 0.05 -0.99 -3.12 116.97 114.37 2i3r h TYR 1890Ca 0.33 -0.31 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 2i3r h TYR 1890Cb -0.06 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.51 2i3r h TYR 1890CO -0.02 1.08 0.38 0.82 -1.05 0.00 0.00 178.16 179.37 2i3r h ILE 1891N 0.43 1.23 0.00 -2.88 2.04 -0.82 -2.40 117.51 115.11 2i3r h ILE 1891Ca -0.02 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 2i3r h ILE 1891Cb 1.24 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2i3r h ILE 1891CO 0.13 0.26 -0.10 0.78 0.00 0.00 0.00 178.15 179.22 2i3r h ASN 1892N 1.00 0.00 -0.36 1.72 2.35 -1.17 -1.22 115.58 117.91 2i3r h ASN 1892Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2i3r h ASN 1892Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2i3r h ASN 1892CO -0.04 0.10 0.00 0.54 -1.65 0.00 0.00 177.43 176.38 2i3r n ARG 1893N -4.16 2.08 -2.50 0.81 1.74 -0.91 -4.37 116.66 109.36 2i3r n ARG 1893Ca -0.03 -1.39 -0.28 0.00 -0.77 0.00 0.00 57.85 55.39 2i3r n ARG 1893Cb 0.18 -1.41 -0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2i3r n ARG 1893CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2i3r n SER 1894N 0.54 4.89 -0.19 0.55 7.64 -0.46 -4.94 113.62 121.64 2i3r n SER 1894Ca 0.13 -3.72 0.08 0.00 1.01 0.00 0.00 58.87 56.37 2i3r n SER 1894Cb 0.40 -0.52 0.38 0.00 -1.01 0.00 0.00 64.21 63.46 2i3r n SER 1894CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2i3r h PRO 1895N 2.67 0.68 0.00 1.43 0.13 -1.78 0.87 132.00 135.99 2i3r h PRO 1895Ca 0.30 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 2i3r h PRO 1895Cb 0.81 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.79 2i3r h PRO 1895CO 0.89 0.45 0.00 0.41 -0.23 0.00 0.00 178.00 179.51 2i3r n GLY 1896N -1.46 -1.20 3.77 1.56 0.00 -1.26 -4.92 105.19 101.69 2i3r n GLY 1896Ca 0.12 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2i3r n GLY 1896CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i3r s ALA 1897N -2.83 2.60 1.00 4.61 0.00 0.30 -5.06 121.76 122.38 2i3r s ALA 1897Ca 0.15 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2i3r s ALA 1897Cb 0.15 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2i3r s ALA 1897CO 0.39 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2i3r n GLY 1898N -0.06 -0.38 3.75 0.00 0.00 0.14 -5.01 105.19 103.63 2i3r n GLY 1898Ca 0.11 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 2i3r n GLY 1898CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2i3r s PRO 1899N 0.00 3.01 -0.05 1.61 0.02 -1.26 -4.75 135.00 133.58 2i3r s PRO 1899Ca 0.00 2.20 -0.30 0.00 0.02 0.00 0.00 61.00 62.92 2i3r s PRO 1899Cb 0.00 -2.17 -0.03 0.00 0.02 0.00 0.00 34.50 32.32 2i3r s PRO 1899CO 0.00 -1.28 1.10 0.99 -0.33 0.00 0.00 177.00 177.48 2i3r s THR 1900N -1.32 4.52 0.06 0.99 2.01 -0.48 -4.54 115.64 116.88 2i3r s THR 1900Ca 0.74 1.81 -0.26 0.00 0.31 0.00 0.00 61.69 64.29 2i3r s THR 1900Cb -0.40 -4.16 -0.06 0.00 0.01 0.00 0.00 72.50 67.89 2i3r s THR 1900CO 0.46 0.04 0.81 -0.69 -0.69 0.00 0.00 174.62 174.55 2i3r s VAL 1901N 1.84 4.67 -0.03 3.82 1.01 -0.69 -0.81 120.40 130.21 2i3r s VAL 1901Ca 0.53 1.74 0.02 0.00 0.00 0.00 0.00 61.98 64.27 2i3r s VAL 1901Cb -0.22 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.00 2i3r s VAL 1901CO 0.22 0.36 -0.09 -0.69 0.00 0.00 0.00 175.10 174.90 2i3r s VAL 1902N -0.06 0.80 0.02 2.92 1.01 0.45 0.04 120.40 125.59 2i3r s VAL 1902Ca 0.41 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 2i3r s VAL 1902Cb -0.21 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.46 2i3r s VAL 1902CO 0.25 0.26 0.28 -1.38 0.00 0.00 0.00 175.10 174.51 2i3r s HIS 1903N 0.36 -0.10 0.00 5.22 -3.43 -0.13 -2.13 115.29 115.09 2i3r s HIS 1903Ca -0.06 0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.22 2i3r s HIS 1903Cb -0.10 0.07 0.00 0.00 -1.43 0.00 0.00 32.58 31.12 2i3r s HIS 1903CO 0.01 -0.45 0.00 0.00 -2.00 0.00 0.00 174.74 172.30 2i3r h SER 1905N 0.00 0.00 1.30 0.00 0.87 -1.87 -2.72 113.55 111.13 2i3r h SER 1905Ca 0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2i3r h SER 1905Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2i3r h SER 1905CO 0.00 0.83 -0.61 0.00 -0.53 0.00 0.00 176.83 176.52 2i3r h ALA 1906N -0.88 0.68 -1.84 6.23 0.00 -1.88 0.51 119.26 122.08 2i3r h ALA 1906Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2i3r h ALA 1906Cb 0.55 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.37 2i3r h ALA 1906CO -0.03 0.00 -0.18 0.41 0.00 0.00 0.00 179.25 179.45 2i3r n GLY 1907N 1.18 0.39 1.75 0.00 0.00 -1.24 -4.10 105.19 103.17 2i3r n GLY 1907Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2i3r n GLY 1907CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2i3r n VAL 1908N -3.49 0.01 -0.01 1.61 0.24 -1.26 -4.64 118.33 110.79 2i3r n VAL 1908Ca -0.02 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.28 2i3r n VAL 1908Cb 0.53 -0.75 -0.00 0.00 -1.47 0.00 0.00 33.84 32.15 2i3r n VAL 1908CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2i3r h GLY 1909N 0.00 0.00 0.91 7.63 0.00 -1.94 -1.54 103.07 108.13 2i3r h GLY 1909Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 2i3r h GLY 1909CO 0.00 0.00 0.63 3.21 0.00 0.00 0.00 176.54 180.38 2i3r h ARG 1910N -0.12 1.20 -0.49 4.80 3.08 -1.94 0.67 114.38 121.57 2i3r h ARG 1910Ca 0.00 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2i3r h ARG 1910Cb 0.04 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 2i3r h ARG 1910CO 0.00 0.79 0.30 1.15 -1.07 0.00 0.00 179.97 181.14 2i3r h THR 1911N 1.23 1.15 -0.40 2.04 2.02 -1.89 0.10 112.91 117.17 2i3r h THR 1911Ca 0.37 -0.34 -0.13 0.00 0.77 0.00 0.00 66.41 67.09 2i3r h THR 1911Cb -0.04 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 2i3r h THR 1911CO -0.11 0.15 -0.26 1.23 0.37 0.00 0.00 175.52 176.91 2i3r h GLY 1912N 0.66 0.90 0.96 2.16 0.00 -0.81 -1.49 103.07 105.44 2i3r h GLY 1912Ca 0.18 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 2i3r h GLY 1912CO -0.03 0.73 0.15 -0.84 0.00 0.00 0.00 176.54 176.54 2i3r h THR 1913N 0.71 1.22 -0.07 4.70 2.02 -0.66 -0.47 112.91 120.37 2i3r h THR 1913Ca 0.09 -0.75 0.03 0.00 0.77 0.00 0.00 66.41 66.55 2i3r h THR 1913Cb 0.79 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 2i3r h THR 1913CO 0.07 0.27 -0.11 0.15 0.37 0.00 0.00 175.52 176.27 2i3r h PHE 1914N 0.62 -0.27 -0.34 3.16 3.57 -0.56 -1.03 116.94 122.10 2i3r h PHE 1914Ca 0.15 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2i3r h PHE 1914Cb 0.27 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2i3r h PHE 1914CO 0.01 -0.16 0.08 0.82 -2.23 0.00 0.00 178.31 176.83 2i3r h ILE 1915N -0.15 1.22 -0.68 1.41 2.04 -1.17 -0.20 117.51 119.98 2i3r h ILE 1915Ca 0.06 -0.76 0.07 0.00 1.00 0.00 0.00 64.86 65.23 2i3r h ILE 1915Cb 0.24 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 2i3r h ILE 1915CO -0.16 0.25 0.37 0.00 0.00 0.00 0.00 178.15 178.61 2i3r h ALA 1916N 0.92 0.91 -0.63 1.87 0.00 -1.05 -0.06 119.26 121.23 2i3r h ALA 1916Ca 0.11 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2i3r h ALA 1916Cb 0.31 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2i3r h ALA 1916CO 0.00 0.02 0.05 1.25 0.00 0.00 0.00 179.25 180.57 2i3r h LEU 1917N 0.66 1.05 -0.33 0.00 5.85 -0.71 -1.14 115.31 120.69 2i3r h LEU 1917Ca 0.31 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.75 2i3r h LEU 1917Cb 0.24 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2i3r h LEU 1917CO -0.21 1.08 0.21 -0.78 -0.34 0.00 0.00 178.44 178.40 2i3r h ASP 1918N 0.99 0.35 -0.60 1.25 3.58 -0.57 -1.21 116.42 120.21 2i3r h ASP 1918Ca 0.18 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 2i3r h ASP 1918Cb 0.51 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.45 2i3r h ASP 1918CO 0.02 0.25 0.36 0.03 -2.88 0.00 0.00 179.24 177.03 2i3r h ARG 1919N 0.42 0.81 0.01 0.28 3.08 -0.66 -2.71 114.38 115.61 2i3r h ARG 1919Ca 0.13 -0.07 -0.24 0.00 0.07 0.00 0.00 59.98 59.86 2i3r h ARG 1919Cb -0.03 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 2i3r h ARG 1919CO -0.04 0.58 -1.21 -0.84 -1.07 0.00 0.00 179.97 177.39 2i3r h ILE 1920N 0.81 1.46 -0.11 2.04 3.07 -0.95 -2.76 117.51 121.08 2i3r h ILE 1920Ca 0.21 -3.21 -0.07 0.00 1.55 0.00 0.00 64.86 63.34 2i3r h ILE 1920Cb -0.02 2.73 -0.01 0.00 -0.27 0.00 0.00 36.82 39.25 2i3r h ILE 1920CO -0.04 0.84 -0.27 -0.07 -1.05 0.00 0.00 178.15 177.56 2i3r h LEU 1921N 0.00 0.19 -1.21 0.16 3.38 -1.26 -1.28 115.31 115.29 2i3r h LEU 1921Ca -0.09 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 2i3r h LEU 1921Cb 1.85 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 2i3r h LEU 1921CO 0.12 0.47 -0.27 1.56 0.09 0.00 0.00 178.44 180.41 2i3r h GLN 1922N 0.17 0.20 -0.17 1.13 4.20 -1.32 -2.85 115.11 116.47 2i3r h GLN 1922Ca 0.03 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 2i3r h GLN 1922Cb 0.58 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2i3r h GLN 1922CO 0.04 0.46 -0.34 1.96 -0.67 0.00 0.00 178.83 180.28 2i3r h GLN 1923N 0.18 0.53 0.00 1.46 4.20 -1.07 -2.99 115.11 117.41 2i3r h GLN 1923Ca 0.03 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2i3r h GLN 1923Cb 0.58 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.40 2i3r h GLN 1923CO 0.04 0.95 0.01 -0.07 -0.67 0.00 0.00 178.83 179.10 2i3r h LEU 1924N 0.16 0.00 -0.15 1.46 3.38 -1.08 0.64 115.31 119.72 2i3r h LEU 1924Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2i3r h LEU 1924Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2i3r h LEU 1924CO 0.08 0.00 -0.49 0.47 0.09 0.00 0.00 178.44 178.59 2i3r n ASP 1925N -2.84 0.72 0.00 -0.43 9.92 -1.09 -4.58 116.55 118.26 2i3r n ASP 1925Ca -0.03 -0.52 0.00 0.00 -0.53 0.00 0.00 54.79 53.72 2i3r n ASP 1925Cb 0.07 0.30 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 2i3r n ASP 1925CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2i3r n SER 1926N -1.24 0.52 -4.61 -2.24 3.41 0.35 -5.11 113.62 104.69 2i3r n SER 1926Ca 0.07 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.44 2i3r n SER 1926Cb 0.34 0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 64.30 2i3r n SER 1926CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2i3r s LYS 1927N -0.43 2.06 0.42 4.33 -0.14 0.20 -5.00 119.74 121.17 2i3r s LYS 1927Ca 0.00 -1.70 0.27 0.00 -1.36 0.00 0.00 55.97 53.18 2i3r s LYS 1927Cb 0.00 -1.94 0.78 0.00 -1.68 0.00 0.00 37.83 34.99 2i3r s LYS 1927CO 0.00 0.20 1.76 -0.44 -0.76 0.00 0.00 175.35 176.11 2i3r h ASP 1928N 1.89 0.00 -5.57 2.83 5.19 -1.96 -3.45 116.42 115.34 2i3r h ASP 1928Ca -0.43 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 55.74 2i3r h ASP 1928Cb 1.25 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.63 2i3r h ASP 1928CO 0.65 0.00 -0.51 -0.94 -3.12 0.00 0.00 179.24 175.32 2i3r s SER 1929N -5.60 0.34 -0.03 6.45 1.04 -1.26 -0.55 113.70 114.09 2i3r s SER 1929Ca 0.06 -1.37 0.02 0.00 0.48 0.00 0.00 55.95 55.14 2i3r s SER 1929Cb 0.08 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.65 2i3r s SER 1929CO 0.59 -0.93 -0.08 0.54 0.98 0.00 0.00 173.24 174.34 2i3r s VAL 1930N -4.00 0.71 -0.73 5.02 0.11 0.32 -4.66 120.40 117.18 2i3r s VAL 1930Ca 0.36 -0.30 0.03 0.00 -2.93 0.00 0.00 61.98 59.14 2i3r s VAL 1930Cb 0.05 -0.65 0.18 0.00 -1.53 0.00 0.00 36.38 34.42 2i3r s VAL 1930CO 0.14 0.23 0.54 -0.62 -3.33 0.00 0.00 175.10 172.06 2i3r s ASP 1931N 0.34 5.06 0.03 3.54 2.15 -1.26 -0.98 116.67 125.54 2i3r s ASP 1931Ca -0.05 -3.75 -0.25 0.00 0.43 0.00 0.00 52.55 48.92 2i3r s ASP 1931Cb -0.10 -1.70 -0.17 0.00 -0.30 0.00 0.00 42.92 40.65 2i3r s ASP 1931CO 0.01 -0.12 1.42 0.40 -0.17 0.00 0.00 175.17 176.70 2i3r h ILE 1932N 4.42 0.97 -0.79 4.11 2.04 -1.98 -1.86 117.51 124.42 2i3r h ILE 1932Ca 0.13 -0.55 0.16 0.00 1.00 0.00 0.00 64.86 65.60 2i3r h ILE 1932Cb 0.78 1.31 -0.10 0.00 -0.74 0.00 0.00 36.82 38.07 2i3r h ILE 1932CO 0.75 0.13 0.32 0.22 0.00 0.00 0.00 178.15 179.56 2i3r h TYR 1933N -0.46 0.54 -0.48 1.37 3.20 -1.91 -1.88 116.97 117.35 2i3r h TYR 1933Ca -0.02 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.78 2i3r h TYR 1933Cb 0.36 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2i3r h TYR 1933CO 0.01 0.04 -0.13 0.78 -1.64 0.00 0.00 178.16 177.23 2i3r h GLY 1934N 0.44 1.01 0.78 1.82 0.00 -1.75 -0.89 103.07 104.48 2i3r h GLY 1934Ca 0.45 -0.84 0.02 0.00 0.00 0.00 0.00 47.33 46.96 2i3r h GLY 1934CO -0.43 0.77 0.03 0.00 0.00 0.00 0.00 176.54 176.91 2i3r h ALA 1935N 0.88 0.18 -0.40 3.60 0.00 -0.88 -1.66 119.26 120.99 2i3r h ALA 1935Ca 0.12 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 2i3r h ALA 1935Cb 0.69 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2i3r h ALA 1935CO 0.05 -0.41 -0.26 0.28 0.00 0.00 0.00 179.25 178.91 2i3r h VAL 1936N 0.10 1.27 -0.48 0.00 2.07 -1.24 -1.95 116.25 116.02 2i3r h VAL 1936Ca 0.08 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.21 2i3r h VAL 1936Cb 0.08 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2i3r h VAL 1936CO -0.12 0.47 0.31 -0.74 0.02 0.00 0.00 177.57 177.51 2i3r h HIS 1937N 0.72 0.59 -0.56 1.57 6.17 -0.99 -0.92 115.15 121.73 2i3r h HIS 1937Ca 0.09 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.17 2i3r h HIS 1937Cb 0.80 -0.20 -0.03 0.00 2.52 0.00 0.00 27.41 30.51 2i3r h HIS 1937CO 0.04 0.36 0.28 0.22 0.71 0.00 0.00 177.93 179.55 2i3r h ASP 1938N 0.63 0.72 -0.42 3.26 3.58 -1.10 -2.33 116.42 120.75 2i3r h ASP 1938Ca 0.18 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 2i3r h ASP 1938Cb -0.05 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 2i3r h ASP 1938CO -0.05 0.63 0.25 -0.07 -2.88 0.00 0.00 179.24 177.12 2i3r h LEU 1939N 0.75 0.51 -1.74 2.28 4.07 -0.96 -2.59 115.31 117.63 2i3r h LEU 1939Ca 0.19 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 2i3r h LEU 1939Cb 0.09 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 2i3r h LEU 1939CO -0.03 0.42 -0.03 0.03 -1.08 0.00 0.00 178.44 177.75 2i3r h ARG 1940N 0.56 0.12 0.00 1.13 2.47 -0.94 -1.53 114.38 116.19 2i3r h ARG 1940Ca 0.15 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2i3r h ARG 1940Cb 0.01 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.30 2i3r h ARG 1940CO -0.03 0.17 -0.01 -0.07 0.56 0.00 0.00 179.97 180.59 2i3r h LEU 1941N 0.12 0.00 0.00 3.04 3.38 -1.00 -3.24 115.31 117.61 2i3r h LEU 1941Ca 0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2i3r h LEU 1941Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2i3r h LEU 1941CO 0.01 0.01 -1.79 1.41 0.09 0.00 0.00 178.44 178.16 2i3r n HIS 1942N -3.68 0.00 -3.57 1.13 8.25 -0.62 -4.84 115.22 111.89 2i3r n HIS 1942Ca -0.03 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.27 2i3r n HIS 1942Cb 0.09 -0.47 -0.06 0.00 1.12 0.00 0.00 29.99 30.67 2i3r n HIS 1942CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2i3r s ARG 1943N -2.82 0.97 0.39 -0.41 3.52 -0.94 -4.64 118.95 115.01 2i3r s ARG 1943Ca -0.06 0.49 -0.27 0.00 -0.13 0.00 0.00 55.73 55.76 2i3r s ARG 1943Cb 0.08 0.46 -0.09 0.00 -1.56 0.00 0.00 34.95 33.84 2i3r s ARG 1943CO 0.62 -0.25 1.31 0.54 -0.81 0.00 0.00 175.30 176.71 2i3r s VAL 1944N -0.66 2.62 0.00 7.11 0.11 -1.26 -3.59 120.40 124.72 2i3r s VAL 1944Ca -0.07 0.57 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 2i3r s VAL 1944Cb -0.02 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.49 2i3r s VAL 1944CO 0.07 0.10 0.00 1.41 -3.33 0.00 0.00 175.10 173.34 2i3r n HIS 1945N 0.26 0.00 -1.60 1.54 8.25 -1.26 -4.83 115.22 117.58 2i3r n HIS 1945Ca 0.03 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.03 2i3r n HIS 1945Cb 0.43 -0.79 -0.04 0.00 1.12 0.00 0.00 29.99 30.71 2i3r n HIS 1945CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2i3r n MET 1946N -1.47 1.97 -2.37 -0.41 0.00 -1.24 -2.53 117.12 111.07 2i3r n MET 1946Ca 0.00 0.64 -0.00 0.00 0.00 0.00 0.00 57.70 58.33 2i3r n MET 1946Cb 0.17 -2.87 0.00 0.00 0.00 0.00 0.00 33.22 30.52 2i3r n MET 1946CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2i3r n VAL 1947N 6.55 -9.13 0.06 2.03 0.31 -0.88 -4.66 118.33 112.61 2i3r n VAL 1947Ca 0.29 1.28 0.07 0.00 -0.01 0.00 0.00 64.34 65.97 2i3r n VAL 1947Cb 0.35 -6.11 -0.06 0.00 -0.91 0.00 0.00 33.84 27.11 2i3r n VAL 1947CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2i3r n GLN 1948N 0.45 0.62 -4.34 5.55 7.27 -1.05 -4.89 117.38 120.99 2i3r n GLN 1948Ca 0.00 0.09 -0.25 0.00 0.07 0.00 0.00 57.00 56.92 2i3r n GLN 1948Cb 0.02 -1.76 -0.12 0.00 2.41 0.00 0.00 30.24 30.79 2i3r n GLN 1948CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2i3r s THR 1949N -3.23 1.94 0.32 1.69 -4.23 -1.26 -5.03 115.64 105.83 2i3r s THR 1949Ca -0.03 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 58.70 2i3r s THR 1949Cb 0.10 -1.81 0.26 0.00 1.34 0.00 0.00 72.50 72.39 2i3r s THR 1949CO 0.82 -0.12 1.98 -0.08 -0.54 0.00 0.00 174.62 176.68 2i3r h GLU 1950N 3.64 1.00 -0.75 3.99 4.81 -1.99 -2.25 114.58 123.03 2i3r h GLU 1950Ca -0.46 -0.06 0.12 0.00 -0.13 0.00 0.00 59.36 58.83 2i3r h GLU 1950Cb 1.19 -0.22 -0.09 0.00 0.63 0.00 0.00 28.75 30.26 2i3r h GLU 1950CO 0.44 0.66 0.34 0.00 -0.73 0.00 0.00 179.01 179.73 2i3r h GLN 1952N 0.53 0.97 -0.30 0.00 4.20 -1.83 0.18 115.11 118.87 2i3r h GLN 1952Ca 0.40 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 2i3r h GLN 1952Cb 0.53 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2i3r h GLN 1952CO -0.35 0.88 -0.07 -0.92 -0.67 0.00 0.00 178.83 177.70 2i3r h TYR 1953N 0.92 0.64 0.05 2.96 3.20 -0.81 -1.93 116.97 121.99 2i3r h TYR 1953Ca 0.19 -0.13 0.03 0.00 3.14 0.00 0.00 58.73 61.95 2i3r h TYR 1953Cb 0.36 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 2i3r h TYR 1953CO 0.02 0.76 -0.24 0.28 -1.64 0.00 0.00 178.16 177.34 2i3r h VAL 1954N 0.33 0.45 -0.89 1.81 2.07 -0.08 -2.82 116.25 117.13 2i3r h VAL 1954Ca 0.08 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.82 2i3r h VAL 1954Cb 0.55 0.45 -0.13 0.00 -1.52 0.00 0.00 31.29 30.64 2i3r h VAL 1954CO 0.03 0.00 0.33 0.22 0.02 0.00 0.00 177.57 178.17 2i3r h TYR 1955N -0.40 0.53 -0.96 1.57 3.20 -0.87 -0.58 116.97 119.46 2i3r h TYR 1955Ca 0.05 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.01 2i3r h TYR 1955Cb 0.46 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 2i3r h TYR 1955CO -0.26 -0.12 0.62 -0.07 -1.64 0.00 0.00 178.16 176.69 2i3r h LEU 1956N 0.31 1.01 -0.55 2.82 3.38 -1.09 -1.01 115.31 120.17 2i3r h LEU 1956Ca 0.56 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.41 2i3r h LEU 1956Cb 1.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2i3r h LEU 1956CO -0.58 0.66 -0.12 0.45 0.09 0.00 0.00 178.44 178.94 2i3r h HIS 1957N 1.16 1.16 -0.50 1.13 3.86 -1.05 -2.45 115.15 118.46 2i3r h HIS 1957Ca 0.40 -0.24 -0.06 0.00 -1.16 0.00 0.00 60.37 59.30 2i3r h HIS 1957Cb 0.09 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 2i3r h HIS 1957CO -0.01 1.07 0.06 1.96 0.86 0.00 0.00 177.93 181.87 2i3r h GLN 1958N 0.92 0.84 -0.36 2.45 4.20 -0.81 0.75 115.11 123.10 2i3r h GLN 1958Ca 0.14 -0.24 0.07 0.00 0.06 0.00 0.00 58.65 58.69 2i3r h GLN 1958Cb 0.69 -0.09 -0.09 0.00 0.30 0.00 0.00 27.48 28.29 2i3r h GLN 1958CO 0.05 0.85 -0.36 0.00 -0.67 0.00 0.00 178.83 178.70 2i3r h VAL 1960N -0.30 0.70 -0.64 0.00 2.07 -1.18 -1.66 116.25 115.24 2i3r h VAL 1960Ca 0.15 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.81 2i3r h VAL 1960Cb 0.56 0.70 -0.11 0.00 -1.52 0.00 0.00 31.29 30.92 2i3r h VAL 1960CO -0.52 0.00 0.01 -0.09 0.02 0.00 0.00 177.57 176.98 2i3r h ARG 1961N -0.20 0.12 -0.22 1.57 2.43 -0.58 -2.51 114.38 114.98 2i3r h ARG 1961Ca 0.05 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.03 2i3r h ARG 1961Cb 0.26 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2i3r h ARG 1961CO -0.13 0.08 -0.59 -0.44 -1.51 0.00 0.00 179.97 177.38 2i3r h ASP 1962N 0.12 0.82 -0.37 -3.80 3.32 -0.74 -2.61 116.42 113.16 2i3r h ASP 1962Ca 0.34 -0.46 0.05 0.00 0.02 0.00 0.00 57.03 56.98 2i3r h ASP 1962Cb 0.55 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 2i3r h ASP 1962CO -0.55 1.22 0.12 0.58 -1.72 0.00 0.00 179.24 178.89 2i3r h VAL 1963N 0.54 0.88 -0.26 -1.35 2.07 -1.05 -2.41 116.25 114.66 2i3r h VAL 1963Ca -0.00 -0.09 -0.13 0.00 0.82 0.00 0.00 66.70 67.30 2i3r h VAL 1963Cb 1.18 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2i3r h VAL 1963CO 0.12 0.05 -0.37 -0.07 0.02 0.00 0.00 177.57 177.32 2i3r h LEU 1964N 0.26 0.62 0.07 2.57 3.38 -1.39 -1.82 115.31 119.00 2i3r h LEU 1964Ca 0.17 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2i3r h LEU 1964Cb 0.16 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2i3r h LEU 1964CO -0.18 0.93 -0.03 0.03 0.09 0.00 0.00 178.44 179.28 2i3r h ARG 1965N 0.49 -0.09 -0.88 1.13 3.08 -1.40 -2.30 114.38 114.41 2i3r h ARG 1965Ca 0.05 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.17 2i3r h ARG 1965Cb 0.87 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.88 2i3r h ARG 1965CO 0.07 0.22 0.57 0.00 -1.07 0.00 0.00 179.97 179.77 2i3r h ALA 1966N 0.49 1.54 0.44 0.04 0.00 -1.39 -2.40 119.26 117.99 2i3r h ALA 1966Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2i3r h ALA 1966Cb 0.36 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2i3r h ALA 1966CO 0.02 0.32 -0.41 -0.09 0.00 0.00 0.00 179.25 179.09 2i3r h ARG 1967N 0.99 -0.81 -0.00 0.00 2.43 -1.21 -3.00 114.38 112.77 2i3r h ARG 1967Ca 0.38 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 2i3r h ARG 1967Cb 0.22 0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2i3r h ARG 1967CO -0.14 -0.54 0.02 1.57 -1.51 0.00 0.00 179.97 179.37 2i3r h LYS 1968N -0.84 0.00 0.00 0.20 2.10 -1.14 -3.51 116.57 113.37 2i3r h LYS 1968Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2i3r h LYS 1968Cb 0.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 2i3r h LYS 1968CO -0.03 0.00 0.00 -0.11 -2.00 0.00 0.00 179.45 177.31