#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 0.09 -0.44 3.42 1.04 -1.26 -4.25 113.70 112.30 2i3r s SER 1680Ca 0.00 -0.68 0.05 0.00 0.48 0.00 0.00 55.95 55.80 2i3r s SER 1680Cb 0.00 0.36 0.18 0.00 0.10 0.00 0.00 66.02 66.67 2i3r s SER 1680CO 0.00 -0.76 0.46 0.00 0.98 0.00 0.00 173.24 173.92 2i3r s PRO 1682N 0.16 4.69 -0.10 0.00 0.02 -1.26 -4.47 135.00 134.03 2i3r s PRO 1682Ca 0.32 1.47 0.04 0.00 0.02 0.00 0.00 61.00 62.85 2i3r s PRO 1682Cb 0.05 -3.37 0.00 0.00 0.02 0.00 0.00 34.50 31.20 2i3r s PRO 1682CO -0.16 0.20 -0.24 0.42 -0.33 0.00 0.00 177.00 176.90 2i3r s ILE 1683N -0.01 2.04 0.34 2.83 -1.09 -0.40 -4.95 121.20 119.97 2i3r s ILE 1683Ca 0.47 -1.01 -0.29 0.00 -2.23 0.00 0.00 60.65 57.60 2i3r s ILE 1683Cb -0.24 -1.77 -0.11 0.00 -1.58 0.00 0.00 42.46 38.77 2i3r s ILE 1683CO 0.30 0.55 1.42 -0.54 -1.23 0.00 0.00 174.94 175.45 2i3r s LYS 1684N 0.40 4.22 0.33 2.79 -0.14 -1.26 -1.53 119.74 124.54 2i3r s LYS 1684Ca -0.18 2.40 0.06 0.00 -1.36 0.00 0.00 55.97 56.90 2i3r s LYS 1684Cb -0.18 -3.03 0.72 0.00 -1.68 0.00 0.00 37.83 33.66 2i3r s LYS 1684CO 0.08 -0.39 1.85 0.82 -0.76 0.00 0.00 175.35 176.94 2i3r h ILE 1685N 3.09 0.86 0.00 2.17 2.04 -1.83 0.99 117.51 124.83 2i3r h ILE 1685Ca -0.49 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2i3r h ILE 1685Cb 1.23 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2i3r h ILE 1685CO 0.67 0.15 0.00 -0.46 0.00 0.00 0.00 178.15 178.51 2i3r n ASN 1686N -4.59 0.00 -0.62 1.72 6.94 -1.26 -2.58 115.26 114.86 2i3r n ASN 1686Ca 0.18 0.14 0.08 0.00 -0.02 0.00 0.00 54.58 54.96 2i3r n ASN 1686Cb 0.43 -0.37 0.07 0.00 -2.36 0.00 0.00 39.78 37.55 2i3r n ASN 1686CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2i3r n GLN 1687N -1.37 1.19 -0.05 -3.83 6.02 0.30 -4.71 117.38 114.93 2i3r n GLN 1687Ca 0.10 -1.44 -0.14 0.00 -0.01 0.00 0.00 57.00 55.51 2i3r n GLN 1687Cb 0.24 -1.30 -0.08 0.00 1.02 0.00 0.00 30.24 30.12 2i3r n GLN 1687CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 2i3r h PHE 1688N 3.02 0.44 -0.95 1.08 3.57 -1.18 0.23 116.94 123.15 2i3r h PHE 1688Ca 0.00 -0.15 0.12 0.00 3.53 0.00 0.00 57.97 61.46 2i3r h PHE 1688Cb 0.65 -0.08 -0.13 0.00 2.79 0.00 0.00 35.95 39.17 2i3r h PHE 1688CO 0.01 0.82 -0.46 -1.91 -2.23 0.00 0.00 178.31 174.53 2i3r n GLU 1689N -4.51 -0.32 0.08 1.11 4.07 -1.26 -0.41 120.64 119.40 2i3r n GLU 1689Ca -0.07 1.45 -0.10 0.00 -0.06 0.00 0.00 57.16 58.38 2i3r n GLU 1689Cb 0.41 -2.14 -0.02 0.00 -0.06 0.00 0.00 31.44 29.63 2i3r n GLU 1689CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2i3r h GLY 1690N 0.00 0.29 0.77 8.31 0.00 -1.82 -1.81 103.07 108.81 2i3r h GLY 1690Ca 0.24 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 47.07 2i3r h GLY 1690CO -0.92 0.46 -0.06 0.84 0.00 0.00 0.00 176.54 176.86 2i3r h HIS 1691N 0.14 -0.14 -0.38 5.60 -0.00 -0.46 -0.55 115.15 119.36 2i3r h HIS 1691Ca -0.06 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.26 2i3r h HIS 1691Cb 1.54 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 29.01 2i3r h HIS 1691CO 0.04 -0.09 -0.01 0.35 -0.00 0.00 0.00 177.93 178.22 2i3r h PHE 1692N -0.08 0.74 -0.67 5.26 3.57 -0.60 -0.84 116.94 124.31 2i3r h PHE 1692Ca 0.04 -0.13 0.13 0.00 3.53 0.00 0.00 57.97 61.55 2i3r h PHE 1692Cb 0.14 -0.19 -0.10 0.00 2.79 0.00 0.00 35.95 38.59 2i3r h PHE 1692CO -0.16 0.77 0.16 0.52 -2.23 0.00 0.00 178.31 177.38 2i3r h MET 1693N 0.49 0.27 -0.08 1.11 2.86 -1.24 -0.29 114.93 118.05 2i3r h MET 1693Ca 0.11 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 2i3r h MET 1693Cb 0.48 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 2i3r h MET 1693CO 0.02 0.18 -0.10 -0.22 1.06 0.00 0.00 176.91 177.85 2i3r h LYS 1694N 0.28 -0.13 -0.99 1.72 3.64 -0.64 -0.23 116.57 120.22 2i3r h LYS 1694Ca 0.37 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.91 2i3r h LYS 1694Cb 0.58 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.34 2i3r h LYS 1694CO -0.45 -0.08 0.62 -0.07 -2.27 0.00 0.00 179.45 177.20 2i3r h LEU 1695N -0.13 0.84 0.00 5.20 3.38 -0.86 -2.84 115.31 120.90 2i3r h LEU 1695Ca 0.07 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2i3r h LEU 1695Cb 0.23 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2i3r h LEU 1695CO -0.16 0.38 -0.13 1.56 0.09 0.00 0.00 178.44 180.19 2i3r h GLN 1696N 0.86 0.00 -7.09 1.13 4.20 -0.23 -1.17 115.11 112.80 2i3r h GLN 1696Ca 0.53 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.70 2i3r h GLN 1696Cb 0.69 0.00 0.19 0.00 0.30 0.00 0.00 27.48 28.66 2i3r h GLN 1696CO -0.30 0.12 0.18 0.00 -0.67 0.00 0.00 178.83 178.15 2i3r n ALA 1697N -2.13 -0.38 -4.14 3.87 0.00 -0.17 -1.11 120.51 116.45 2i3r n ALA 1697Ca 0.03 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.81 2i3r n ALA 1697Cb 0.58 -2.17 -0.05 0.00 0.00 0.00 0.00 19.45 17.82 2i3r n ALA 1697CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2i3r n ASP 1698N -2.71 -0.83 -2.62 0.00 8.00 -1.26 -1.01 116.55 116.11 2i3r n ASP 1698Ca 0.13 -1.20 -0.12 0.00 0.71 0.00 0.00 54.79 54.31 2i3r n ASP 1698Cb 0.50 -2.09 0.06 0.00 -0.02 0.00 0.00 41.12 39.57 2i3r n ASP 1698CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2i3r n SER 1699N -2.75 -2.18 -2.70 -2.24 2.88 -1.22 -2.78 113.62 102.64 2i3r n SER 1699Ca -0.26 -0.41 -0.19 0.00 -1.33 0.00 0.00 58.87 56.67 2i3r n SER 1699Cb 0.66 -3.59 0.04 0.00 -0.75 0.00 0.00 64.21 60.57 2i3r n SER 1699CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2i3r n ASN 1700N -2.38 -5.54 0.37 -3.46 3.02 -0.27 -4.89 115.26 102.12 2i3r n ASN 1700Ca -0.18 -0.28 -0.18 0.00 -0.03 0.00 0.00 54.58 53.90 2i3r n ASN 1700Cb 0.61 -4.33 -0.09 0.00 -0.61 0.00 0.00 39.78 35.36 2i3r n ASN 1700CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2i3r h TYR 1701N -1.40 -0.89 0.04 3.10 3.20 -0.89 -0.88 116.97 119.25 2i3r h TYR 1701Ca -0.46 -0.02 -0.25 0.00 3.14 0.00 0.00 58.73 61.14 2i3r h TYR 1701Cb 1.31 0.30 0.01 0.00 1.54 0.00 0.00 36.73 39.90 2i3r h TYR 1701CO 0.45 -0.55 -1.06 -0.07 -1.64 0.00 0.00 178.16 175.29 2i3r h LEU 1702N -0.94 0.65 -0.61 2.82 3.38 -1.75 -2.66 115.31 116.21 2i3r h LEU 1702Ca -0.09 -0.56 0.12 0.00 0.09 0.00 0.00 57.88 57.44 2i3r h LEU 1702Cb 0.73 -0.20 -0.12 0.00 0.09 0.00 0.00 40.66 41.16 2i3r h LEU 1702CO 0.14 1.37 -0.26 0.25 0.09 0.00 0.00 178.44 180.04 2i3r h LEU 1703N 0.25 -0.90 -0.71 1.67 6.46 -1.20 -0.96 115.31 119.92 2i3r h LEU 1703Ca -0.12 0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 2i3r h LEU 1703Cb 1.72 0.49 -0.03 0.00 -0.73 0.00 0.00 40.66 42.11 2i3r h LEU 1703CO 0.19 -0.27 0.37 0.28 -0.62 0.00 0.00 178.44 178.39 2i3r h SER 1704N -0.10 0.90 -0.41 1.25 0.02 -1.04 -0.64 113.55 113.52 2i3r h SER 1704Ca 0.27 -0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2i3r h SER 1704Cb 0.52 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 2i3r h SER 1704CO -0.67 0.75 0.21 0.50 -1.14 0.00 0.00 176.83 176.49 2i3r h LYS 1705N 0.97 0.41 -0.46 3.45 3.64 -1.10 -1.22 116.57 122.26 2i3r h LYS 1705Ca 0.25 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.53 2i3r h LYS 1705Cb 0.07 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2i3r h LYS 1705CO -0.04 0.27 0.00 1.49 -2.27 0.00 0.00 179.45 178.91 2i3r h GLU 1706N 0.43 0.82 -0.72 1.90 4.81 -0.76 -2.63 114.58 118.43 2i3r h GLU 1706Ca 0.17 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 2i3r h GLU 1706Cb 0.07 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2i3r h GLU 1706CO -0.12 0.87 0.22 -0.92 -0.73 0.00 0.00 179.01 178.34 2i3r h TYR 1707N 0.67 1.16 0.00 0.92 3.20 -0.92 -1.41 116.97 120.59 2i3r h TYR 1707Ca 0.13 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 2i3r h TYR 1707Cb 0.50 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 2i3r h TYR 1707CO 0.04 0.92 -0.11 0.93 -1.64 0.00 0.00 178.16 178.30 2i3r h GLU 1708N 1.07 0.00 0.00 1.82 4.39 -1.08 -1.89 114.58 118.90 2i3r h GLU 1708Ca 0.23 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 2i3r h GLU 1708Cb 0.31 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2i3r h GLU 1708CO -0.01 0.11 -0.03 0.93 -1.16 0.00 0.00 179.01 178.85 2i3r h GLU 1709N 0.00 0.00 -0.00 2.33 5.08 -0.88 -1.62 114.58 119.49 2i3r h GLU 1709Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2i3r h GLU 1709Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2i3r h GLU 1709CO 0.01 0.03 -0.07 1.28 -1.00 0.00 0.00 179.01 179.26 2i3r n LEU 1710N -3.20 0.25 -0.18 1.33 4.77 -0.71 -4.31 117.00 114.94 2i3r n LEU 1710Ca -0.01 0.15 -0.02 0.00 -0.03 0.00 0.00 56.01 56.10 2i3r n LEU 1710Cb 0.22 -0.24 0.20 0.00 -2.33 0.00 0.00 43.42 41.26 2i3r n LEU 1710CO 0.25 0.05 1.09 0.50 -1.33 0.00 0.00 177.39 177.95 2i3r h LYS 1711N 0.27 0.94 -0.11 3.23 1.63 -1.40 -2.49 116.57 118.63 2i3r h LYS 1711Ca 0.00 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 2i3r h LYS 1711Cb 0.34 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 2i3r h LYS 1711CO 0.00 0.74 0.00 -0.25 -3.45 0.00 0.00 179.45 176.49 2i3r n ASP 1712N -4.33 2.77 -4.73 4.20 8.00 -1.26 -4.96 116.55 116.24 2i3r n ASP 1712Ca 0.06 -1.90 -0.41 0.00 0.71 0.00 0.00 54.79 53.25 2i3r n ASP 1712Cb 0.14 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 2i3r n ASP 1712CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2i3r s VAL 1713N -1.88 3.53 0.00 2.53 1.01 -0.94 -2.49 120.40 122.16 2i3r s VAL 1713Ca 0.32 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.53 2i3r s VAL 1713Cb 0.21 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2i3r s VAL 1713CO 0.31 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.18 2i3r n GLY 1714N 2.52 0.96 0.05 4.51 0.00 -1.26 -4.64 105.19 107.33 2i3r n GLY 1714Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 0.26 -0.09 1.61 1.85 -1.04 -2.57 116.66 114.68 2i3r n ARG 1715Ca 0.00 -0.10 0.07 0.00 -1.00 0.00 0.00 57.85 56.82 2i3r n ARG 1715Cb 0.00 -1.50 0.29 0.00 -1.05 0.00 0.00 32.46 30.20 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 -1.28 1.25 -4.84 2.89 3.02 -1.26 -4.92 115.26 110.13 2i3r n ASN 1716Ca 0.09 -1.79 -0.37 0.00 -0.03 0.00 0.00 54.58 52.48 2i3r n ASN 1716Cb 0.32 -0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.77 3.73 0.48 3.52 -0.21 -1.06 -5.08 119.66 119.27 2i3r s GLN 1717Ca 0.25 0.07 -0.07 0.00 0.02 0.00 0.00 55.36 55.63 2i3r s GLN 1717Cb 0.13 -3.24 -0.04 0.00 1.00 0.00 0.00 33.01 30.86 2i3r s GLN 1717CO 0.19 0.66 0.80 -1.54 -2.12 0.00 0.00 175.29 173.29 2i3r s SER 1718N -0.80 6.31 -0.38 5.90 1.04 -1.26 -4.95 113.70 119.55 2i3r s SER 1718Ca 0.18 1.00 0.10 0.00 0.48 0.00 0.00 55.95 57.71 2i3r s SER 1718Cb -0.14 -2.28 0.44 0.00 0.10 0.00 0.00 66.02 64.15 2i3r s SER 1718CO 0.07 -0.57 1.07 0.00 0.98 0.00 0.00 173.24 174.79 2i3r h ASP 1720N 2.67 1.07 -0.22 0.00 3.32 -1.96 -2.88 116.42 118.42 2i3r h ASP 1720Ca 0.17 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 2i3r h ASP 1720Cb 1.08 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 2i3r h ASP 1720CO 0.70 1.02 0.05 0.40 -1.72 0.00 0.00 179.24 179.70 2i3r h ILE 1721N 1.07 1.21 -0.50 0.35 1.08 -1.91 -2.47 117.51 116.33 2i3r h ILE 1721Ca 0.22 -0.68 0.14 0.00 -0.39 0.00 0.00 64.86 64.16 2i3r h ILE 1721Cb 0.36 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 2i3r h ILE 1721CO 0.00 0.21 0.36 0.00 -0.69 0.00 0.00 178.15 178.04 2i3r h ALA 1722N 0.86 2.47 -0.00 1.87 0.00 -1.82 -1.55 119.26 121.08 2i3r h ALA 1722Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2i3r h ALA 1722Cb 0.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2i3r h ALA 1722CO 0.00 -0.61 -0.11 1.28 0.00 0.00 0.00 179.25 179.81 2i3r n LEU 1723N -4.39 0.31 -4.77 0.00 4.77 -0.94 -4.61 117.00 107.37 2i3r n LEU 1723Ca 0.09 0.13 -0.39 0.00 -0.03 0.00 0.00 56.01 55.81 2i3r n LEU 1723Cb 0.58 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 2i3r n LEU 1723CO 0.37 0.06 0.92 -0.76 -1.33 0.00 0.00 177.39 176.64 2i3r s LEU 1724N -2.60 4.20 0.30 2.23 1.43 -0.59 -4.89 118.68 118.76 2i3r s LEU 1724Ca 0.25 2.54 0.06 0.00 -1.03 0.00 0.00 54.13 55.96 2i3r s LEU 1724Cb 0.20 -3.96 0.81 0.00 0.03 0.00 0.00 46.19 43.27 2i3r s LEU 1724CO 0.50 -0.81 1.68 -0.65 0.23 0.00 0.00 176.35 177.30 2i3r h PRO 1725N 2.63 0.33 0.00 1.29 0.11 -1.92 0.18 132.00 134.62 2i3r h PRO 1725Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2i3r h PRO 1725Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2i3r h PRO 1725CO 0.62 0.22 0.00 1.05 -0.21 0.00 0.00 178.00 179.68 2i3r h GLU 1726N 0.34 0.00 -0.03 1.05 4.11 -1.95 -2.56 114.58 115.55 2i3r h GLU 1726Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.03 2i3r h GLU 1726Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2i3r h GLU 1726CO -0.58 0.00 -0.09 0.09 0.07 0.00 0.00 179.01 178.51 2i3r n ASN 1727N -2.75 2.72 -0.21 3.06 3.02 0.62 -4.68 115.26 117.04 2i3r n ASN 1727Ca -0.00 -1.86 -0.06 0.00 -0.03 0.00 0.00 54.58 52.62 2i3r n ASN 1727Cb 0.18 0.09 0.04 0.00 -0.61 0.00 0.00 39.78 39.48 2i3r n ASN 1727CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2i3r h ARG 1728N 4.07 0.79 0.00 3.52 3.08 -1.43 0.22 114.38 124.63 2i3r h ARG 1728Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2i3r h ARG 1728Cb 0.91 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2i3r h ARG 1728CO 0.00 0.54 0.00 0.41 -1.07 0.00 0.00 179.97 179.85 2i3r n GLY 1729N -1.23 -0.70 0.45 0.04 0.00 -1.26 -2.85 105.19 99.65 2i3r n GLY 1729Ca 0.04 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.32 1.16 -3.77 1.61 5.02 0.06 -4.83 118.16 116.09 2i3r n LYS 1730Ca 0.05 -0.91 -0.36 0.00 -2.02 0.00 0.00 58.31 55.07 2i3r n LYS 1730Cb 0.10 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.53 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 -2.47 5.84 0.15 4.39 0.01 -1.13 -4.56 114.94 117.17 2i3r s ASN 1731Ca 0.20 0.06 -0.12 0.00 -0.71 0.00 0.00 52.86 52.28 2i3r s ASN 1731Cb 0.18 -2.04 0.01 0.00 0.41 0.00 0.00 41.25 39.81 2i3r s ASN 1731CO 0.56 0.08 1.58 -0.09 -1.51 0.00 0.00 177.10 177.72 2i3r h ARG 1732N 7.41 0.86 -4.98 -0.60 2.43 -1.89 -3.42 114.38 114.19 2i3r h ARG 1732Ca -0.38 -0.29 -0.61 0.00 -0.81 0.00 0.00 59.98 57.89 2i3r h ARG 1732Cb 1.17 -0.07 -0.33 0.00 -0.42 0.00 0.00 29.97 30.32 2i3r h ARG 1732CO 0.66 0.92 -0.85 0.71 -1.51 0.00 0.00 179.97 179.89 2i3r s TYR 1733N -4.95 2.12 -0.78 2.20 2.02 -1.26 -5.01 117.35 111.69 2i3r s TYR 1733Ca -0.12 -0.88 0.25 0.00 -0.37 0.00 0.00 57.07 55.94 2i3r s TYR 1733Cb 0.11 -1.46 0.93 0.00 -0.40 0.00 0.00 41.96 41.14 2i3r s TYR 1733CO 0.82 -0.39 1.76 0.09 -1.57 0.00 0.00 175.55 176.26 2i3r n ASN 1734N 3.75 0.47 -0.80 2.29 5.03 -1.26 -1.79 115.26 122.95 2i3r n ASN 1734Ca -0.20 0.57 0.07 0.00 0.87 0.00 0.00 54.58 55.89 2i3r n ASN 1734Cb 0.52 -0.69 0.21 0.00 -1.02 0.00 0.00 39.78 38.81 2i3r n ASN 1734CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 2i3r n ASN 1735N -1.97 3.48 -3.71 6.41 6.94 -1.26 -4.82 115.26 120.33 2i3r n ASN 1735Ca 0.05 -2.54 -0.30 0.00 -0.02 0.00 0.00 54.58 51.77 2i3r n ASN 1735Cb 0.33 -0.40 -0.14 0.00 -2.36 0.00 0.00 39.78 37.21 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 -1.97 1.10 0.07 1.53 -1.09 -0.74 -5.11 121.20 115.00 2i3r s ILE 1736Ca 0.34 -2.01 0.05 0.00 -2.23 0.00 0.00 60.65 56.80 2i3r s ILE 1736Cb 0.24 -1.80 -0.03 0.00 -1.58 0.00 0.00 42.46 39.29 2i3r s ILE 1736CO 0.12 -0.81 -0.13 -0.76 -1.23 0.00 0.00 174.94 172.14 2i3r s LEU 1737N 0.94 2.29 0.42 2.97 1.43 -1.26 -4.68 118.68 120.78 2i3r s LEU 1737Ca 0.14 -0.62 -0.23 0.00 -1.03 0.00 0.00 54.13 52.38 2i3r s LEU 1737Cb -0.21 -0.45 -0.09 0.00 0.03 0.00 0.00 46.19 45.47 2i3r s LEU 1737CO -0.10 -0.11 1.07 -2.16 0.23 0.00 0.00 176.35 175.28 2i3r s PRO 1738N -1.81 4.07 0.36 1.29 0.04 -1.26 -4.65 135.00 133.04 2i3r s PRO 1738Ca -0.02 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.28 2i3r s PRO 1738Cb -0.09 -2.48 -0.10 0.00 0.04 0.00 0.00 34.50 31.87 2i3r s PRO 1738CO 0.02 -0.23 1.31 0.71 0.04 0.00 0.00 177.00 178.84 2i3r s TYR 1739N -1.67 2.94 0.30 0.56 2.02 -1.26 -4.54 117.35 115.70 2i3r s TYR 1739Ca 0.59 1.41 0.05 0.00 -0.37 0.00 0.00 57.07 58.76 2i3r s TYR 1739Cb -0.23 -3.68 0.73 0.00 -0.40 0.00 0.00 41.96 38.39 2i3r s TYR 1739CO 0.28 -1.96 1.76 -0.44 -1.57 0.00 0.00 175.55 173.62 2i3r h ASP 1740N 3.07 0.70 0.95 2.29 3.32 -1.31 -2.49 116.42 122.95 2i3r h ASP 1740Ca -0.49 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 2i3r h ASP 1740Cb 1.23 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 2i3r h ASP 1740CO 0.64 0.22 -0.07 0.00 -1.72 0.00 0.00 179.24 178.32 2i3r h ALA 1741N 1.65 1.02 0.00 3.45 0.00 -1.92 -3.20 119.26 120.27 2i3r h ALA 1741Ca 0.57 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2i3r h ALA 1741Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2i3r h ALA 1741CO -0.40 0.08 -0.03 0.25 0.00 0.00 0.00 179.25 179.15 2i3r n THR 1742N -3.20 0.63 -2.58 0.00 -2.24 -1.05 -5.08 114.28 100.76 2i3r n THR 1742Ca 0.00 -0.66 -0.33 0.00 -2.27 0.00 0.00 64.05 60.79 2i3r n THR 1742Cb 0.33 0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 69.15 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 -0.71 3.91 0.01 -0.78 1.70 -0.96 -1.20 118.95 120.91 2i3r s ARG 1743Ca 0.03 1.24 -0.29 0.00 -0.47 0.00 0.00 55.73 56.23 2i3r s ARG 1743Cb 0.02 -2.12 -0.03 0.00 -0.57 0.00 0.00 34.95 32.25 2i3r s ARG 1743CO 0.00 -0.32 0.94 0.08 -1.08 0.00 0.00 175.30 174.92 2i3r s VAL 1744N -2.14 4.84 -0.11 4.99 1.01 -0.51 -4.75 120.40 123.73 2i3r s VAL 1744Ca 0.65 1.98 -0.04 0.00 0.00 0.00 0.00 61.98 64.56 2i3r s VAL 1744Cb -0.13 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2i3r s VAL 1744CO 0.20 0.20 0.06 -0.54 0.00 0.00 0.00 175.10 175.02 2i3r s LYS 1745N 0.83 3.27 0.32 2.72 1.02 -1.26 -4.24 119.74 122.39 2i3r s LYS 1745Ca 0.49 -0.30 -0.22 0.00 0.02 0.00 0.00 55.97 55.97 2i3r s LYS 1745Cb -0.21 -2.99 -0.10 0.00 -0.52 0.00 0.00 37.83 34.02 2i3r s LYS 1745CO 0.27 0.68 0.86 -0.51 -0.92 0.00 0.00 175.35 175.73 2i3r s LEU 1746N -0.79 4.21 0.63 3.17 1.43 0.86 -5.04 118.68 123.15 2i3r s LEU 1746Ca 0.13 1.61 -0.18 0.00 -1.03 0.00 0.00 54.13 54.65 2i3r s LEU 1746Cb -0.12 -4.02 -0.02 0.00 0.03 0.00 0.00 46.19 42.06 2i3r s LEU 1746CO 0.03 -0.12 1.25 -0.94 0.23 0.00 0.00 176.35 176.79 2i3r s SER 1747N -1.85 4.82 0.07 2.29 1.04 -1.26 -4.47 113.70 114.34 2i3r s SER 1747Ca 0.51 2.49 -0.10 0.00 0.48 0.00 0.00 55.95 59.33 2i3r s SER 1747Cb -0.15 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.37 2i3r s SER 1747CO 0.20 -1.85 0.21 0.54 0.98 0.00 0.00 173.24 173.32 2i3r s ASN 1748N -1.55 0.04 0.00 7.02 4.22 -1.26 -4.77 114.94 118.64 2i3r s ASN 1748Ca 0.79 -0.47 0.00 0.00 -2.14 0.00 0.00 52.86 51.05 2i3r s ASN 1748Cb -0.33 0.33 0.00 0.00 1.28 0.00 0.00 41.25 42.52 2i3r s ASN 1748CO 0.37 -0.65 0.00 0.52 -2.04 0.00 0.00 177.10 175.30 2i3r n VAL 1749N 0.31 0.00 -2.63 3.54 0.31 -1.26 -5.05 118.33 113.55 2i3r n VAL 1749Ca -0.17 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.74 2i3r n VAL 1749Cb 0.61 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.50 2i3r n VAL 1749CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2i3r s ASP 1750N 1.00 6.16 0.00 4.52 -4.77 -1.26 -4.61 116.67 117.71 2i3r s ASP 1750Ca 0.00 -0.58 0.00 0.00 -3.30 0.00 0.00 52.55 48.67 2i3r s ASP 1750Cb 0.00 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.31 2i3r s ASP 1750CO 0.00 -1.74 0.00 -0.67 0.70 0.00 0.00 175.17 173.46 2i3r n ASP 1751N 8.96 -0.08 0.00 2.11 2.03 -1.26 -5.11 116.55 123.19 2i3r n ASP 1751Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2i3r n ASP 1751Cb 0.48 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 2i3r n ASP 1751CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2i3r n ASP 1752N 0.00 0.00 0.00 1.67 5.75 -1.26 -4.90 116.55 117.81 2i3r n ASP 1752Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2i3r n ASP 1752Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2i3r n ASP 1752CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 2i3r n PRO 1753N 0.00 0.00 -1.91 0.11 -0.02 -1.26 -4.22 135.00 127.70 2i3r n PRO 1753Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.08 2i3r n PRO 1753Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 33.52 2i3r n PRO 1753CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2i3r n SER 1755N -0.53 0.20 -0.12 0.00 3.41 -1.26 -2.12 113.62 113.20 2i3r n SER 1755Ca 0.54 0.58 0.15 0.00 -0.26 0.00 0.00 58.87 59.88 2i3r n SER 1755Cb 0.24 -0.61 0.82 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.75 0.38 -4.72 4.04 5.68 -1.26 -4.74 116.55 114.17 2i3r n ASP 1756Ca 0.01 -1.15 -0.37 0.00 -0.50 0.00 0.00 54.79 52.77 2i3r n ASP 1756Cb 0.07 -0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 39.99 2i3r n ASP 1756CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2i3r s TYR 1757N -2.00 3.49 0.02 2.11 5.04 -0.90 -0.10 117.35 125.02 2i3r s TYR 1757Ca 0.44 0.80 0.00 0.00 -2.44 0.00 0.00 57.07 55.87 2i3r s TYR 1757Cb 0.21 -2.49 -0.02 0.00 0.35 0.00 0.00 41.96 40.01 2i3r s TYR 1757CO 0.35 0.18 -0.03 -1.50 -1.34 0.00 0.00 175.55 173.21 2i3r s ILE 1758N 0.60 0.15 -1.07 3.14 2.07 -1.26 -4.91 121.20 119.92 2i3r s ILE 1758Ca 0.23 -1.01 -0.22 0.00 -1.41 0.00 0.00 60.65 58.24 2i3r s ILE 1758Cb -0.14 -0.40 0.04 0.00 0.13 0.00 0.00 42.46 42.08 2i3r s ILE 1758CO 0.08 -0.54 1.58 0.21 -1.91 0.00 0.00 174.94 174.37 2i3r s ASN 1759N -1.61 6.36 0.02 4.50 3.84 -1.26 -4.68 114.94 122.11 2i3r s ASN 1759Ca -0.13 -1.57 -0.28 0.00 0.21 0.00 0.00 52.86 51.08 2i3r s ASN 1759Cb -0.08 -2.57 0.07 0.00 -0.55 0.00 0.00 41.25 38.11 2i3r s ASN 1759CO -0.02 -1.64 0.64 0.00 -2.79 0.00 0.00 177.10 173.30 2i3r s ALA 1760N 5.64 -1.69 0.00 1.71 0.00 -1.26 -2.96 121.76 123.20 2i3r s ALA 1760Ca 0.51 1.03 -0.01 0.00 0.00 0.00 0.00 51.96 53.50 2i3r s ALA 1760Cb 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 2i3r s ALA 1760CO -0.04 -0.49 0.01 -1.12 0.00 0.00 0.00 175.76 174.11 2i3r s SER 1761N -1.68 0.08 0.24 0.00 0.01 -0.23 -1.43 113.70 110.69 2i3r s SER 1761Ca -0.07 -0.17 -0.30 0.00 1.31 0.00 0.00 55.95 56.72 2i3r s SER 1761Cb -0.00 0.07 -0.09 0.00 0.21 0.00 0.00 66.02 66.20 2i3r s SER 1761CO 0.03 -0.13 1.00 -0.31 0.41 0.00 0.00 173.24 174.24 2i3r s TYR 1762N -0.59 3.82 -0.05 2.43 2.02 -0.34 -1.03 117.35 123.60 2i3r s TYR 1762Ca -0.07 1.82 0.02 0.00 -0.37 0.00 0.00 57.07 58.47 2i3r s TYR 1762Cb -0.04 -3.10 0.02 0.00 -0.40 0.00 0.00 41.96 38.43 2i3r s TYR 1762CO -0.00 0.05 -0.08 0.42 -1.57 0.00 0.00 175.55 174.36 2i3r s ILE 1763N -1.03 0.81 0.68 2.71 -1.09 -0.27 -4.86 121.20 118.15 2i3r s ILE 1763Ca 0.43 -0.30 -0.14 0.00 -2.23 0.00 0.00 60.65 58.41 2i3r s ILE 1763Cb -0.28 -0.77 0.01 0.00 -1.58 0.00 0.00 42.46 39.84 2i3r s ILE 1763CO 0.35 0.28 1.11 -2.84 -1.23 0.00 0.00 174.94 172.61 2i3r s PRO 1764N 0.70 2.69 0.00 2.79 0.02 -1.26 -1.44 135.00 138.50 2i3r s PRO 1764Ca -0.12 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.27 2i3r s PRO 1764Cb -0.14 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.44 2i3r s PRO 1764CO 0.02 -1.34 0.00 0.41 -0.33 0.00 0.00 177.00 175.76 2i3r n GLY 1765N -0.59 6.04 0.28 0.52 0.00 -0.57 -4.78 105.19 106.09 2i3r n GLY 1765Ca 0.10 -1.95 0.17 0.00 0.00 0.00 0.00 46.02 44.35 2i3r n GLY 1765CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2i3r h ASN 1766N 0.00 0.00 0.00 1.61 -1.24 -1.96 -3.35 115.58 110.64 2i3r h ASN 1766Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 2i3r h ASN 1766Cb 0.00 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 2i3r h ASN 1766CO 0.00 0.02 -0.68 0.59 -1.29 0.00 0.00 177.43 176.08 2i3r n ASN 1767N -3.14 1.05 -3.96 1.15 3.02 -1.26 -5.10 115.26 107.01 2i3r n ASN 1767Ca 0.00 0.16 -0.09 0.00 -0.03 0.00 0.00 54.58 54.61 2i3r n ASN 1767Cb 0.29 -0.37 -0.08 0.00 -0.61 0.00 0.00 39.78 39.02 2i3r n ASN 1767CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2i3r s PHE 1768N -2.21 0.40 0.72 3.10 0.08 -1.26 -5.14 117.98 113.68 2i3r s PHE 1768Ca -0.09 -0.79 -0.12 0.00 0.12 0.00 0.00 56.93 56.05 2i3r s PHE 1768Cb 0.02 -0.13 0.03 0.00 -0.57 0.00 0.00 43.02 42.37 2i3r s PHE 1768CO 0.12 -0.63 1.08 1.03 -0.10 0.00 0.00 175.22 176.73 2i3r s ARG 1769N -3.95 2.61 -1.74 0.44 0.52 -1.26 -1.52 118.95 114.06 2i3r s ARG 1769Ca 0.14 1.15 0.00 0.00 -0.52 0.00 0.00 55.73 56.51 2i3r s ARG 1769Cb 0.05 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.57 2i3r s ARG 1769CO -0.03 -1.37 0.00 0.54 0.02 0.00 0.00 175.30 174.46 2i3r n ARG 1770N -3.11 -1.39 0.20 3.54 1.74 -1.23 -4.83 116.66 111.57 2i3r n ARG 1770Ca 0.09 1.00 0.05 0.00 -0.77 0.00 0.00 57.85 58.22 2i3r n ARG 1770Cb 0.53 -5.42 0.40 0.00 -1.02 0.00 0.00 32.46 26.94 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 0.00 0.00 -5.48 5.56 5.08 -1.52 -3.38 114.58 114.83 2i3r h GLU 1771Ca -0.41 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.52 2i3r h GLU 1771Cb 1.27 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.36 2i3r h GLU 1771CO 0.53 0.35 -0.74 0.71 -1.00 0.00 0.00 179.01 178.86 2i3r s TYR 1772N -3.94 1.57 -0.12 4.33 2.02 -0.52 -1.49 117.35 119.20 2i3r s TYR 1772Ca -0.02 -0.59 0.03 0.00 -0.37 0.00 0.00 57.07 56.13 2i3r s TYR 1772Cb 0.13 -0.77 0.00 0.00 -0.40 0.00 0.00 41.96 40.93 2i3r s TYR 1772CO 0.69 0.26 -0.23 0.42 -1.57 0.00 0.00 175.55 175.12 2i3r s ILE 1773N -2.74 2.08 -0.03 2.71 1.01 -0.15 -1.11 121.20 122.97 2i3r s ILE 1773Ca 0.17 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.84 2i3r s ILE 1773Cb -0.02 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 2i3r s ILE 1773CO 0.05 0.56 -0.02 0.68 0.00 0.00 0.00 174.94 176.20 2i3r s VAL 1774N 0.53 4.01 0.12 2.92 -7.23 -0.20 -0.57 120.40 119.98 2i3r s VAL 1774Ca -0.14 -0.54 -0.09 0.00 -1.81 0.00 0.00 61.98 59.39 2i3r s VAL 1774Cb -0.17 -2.74 -0.00 0.00 0.56 0.00 0.00 36.38 34.03 2i3r s VAL 1774CO 0.05 0.46 0.25 0.28 -0.31 0.00 0.00 175.10 175.83 2i3r s THR 1775N -0.98 0.10 0.89 5.32 -1.32 -0.94 -1.07 115.64 117.63 2i3r s THR 1775Ca 0.17 -1.21 -0.10 0.00 -1.21 0.00 0.00 61.69 59.33 2i3r s THR 1775Cb -0.11 -1.54 0.13 0.00 -1.51 0.00 0.00 72.50 69.47 2i3r s THR 1775CO 0.07 -0.47 1.12 0.00 -2.21 0.00 0.00 174.62 173.12 2i3r s GLN 1776N -3.90 1.25 0.04 7.08 -2.07 -1.16 -3.65 119.66 117.25 2i3r s GLN 1776Ca 0.10 1.34 -0.30 0.00 -1.82 0.00 0.00 55.36 54.68 2i3r s GLN 1776Cb 0.04 -1.77 -0.09 0.00 -1.09 0.00 0.00 33.01 30.10 2i3r s GLN 1776CO -0.06 -2.40 1.90 0.20 -1.32 0.00 0.00 175.29 173.61 2i3r s GLY 1777N -2.92 1.45 0.48 2.60 0.00 -0.01 -4.84 107.32 104.07 2i3r s GLY 1777Ca 0.65 1.30 -0.23 0.00 0.00 0.00 0.00 44.72 46.44 2i3r s GLY 1777CO 0.58 3.36 1.00 -1.05 0.00 0.00 0.00 173.10 176.99 2i3r n PRO 1778N 7.14 1.25 -3.33 2.90 -0.02 -1.26 -4.66 135.00 137.02 2i3r n PRO 1778Ca 0.19 0.46 -0.25 0.00 -2.02 0.00 0.00 63.50 61.88 2i3r n PRO 1778Cb 0.41 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.78 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 -0.99 4.00 0.28 2.45 1.43 -1.26 -1.32 118.68 123.27 2i3r s LEU 1779Ca 0.67 0.52 0.02 0.00 -1.03 0.00 0.00 54.13 54.30 2i3r s LEU 1779Cb -0.51 -3.38 0.67 0.00 0.03 0.00 0.00 46.19 43.00 2i3r s LEU 1779CO 0.54 -0.29 1.70 -0.65 0.23 0.00 0.00 176.35 177.87 2i3r h PRO 1780N 0.88 0.37 0.00 1.29 0.11 -1.95 -0.59 132.00 132.10 2i3r h PRO 1780Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2i3r h PRO 1780Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2i3r h PRO 1780CO 0.62 0.25 0.00 0.41 -0.21 0.00 0.00 178.00 179.07 2i3r n GLY 1781N -1.34 -1.17 0.00 -0.55 0.00 -1.26 -3.74 105.19 97.12 2i3r n GLY 1781Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.21 0.52 0.17 2.61 -2.24 -0.35 -4.73 114.28 109.05 2i3r n THR 1782Ca 0.16 -0.67 0.02 0.00 -2.27 0.00 0.00 64.05 61.29 2i3r n THR 1782Cb 0.20 0.81 0.30 0.00 -2.10 0.00 0.00 70.33 69.54 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 0.00 0.00 -0.69 -0.78 2.10 -1.33 -0.18 116.57 115.69 2i3r h LYS 1783Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 2i3r h LYS 1783Cb 0.41 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.71 2i3r h LYS 1783CO 0.00 0.45 0.19 -0.44 -2.00 0.00 0.00 179.45 177.65 2i3r h ASP 1784N 0.00 1.01 -0.65 7.07 3.32 -1.84 -1.79 116.42 123.54 2i3r h ASP 1784Ca -0.00 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 2i3r h ASP 1784Cb 0.83 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 2i3r h ASP 1784CO 0.06 0.96 0.27 0.44 -1.72 0.00 0.00 179.24 179.25 2i3r h ASP 1785N 1.03 0.89 -0.26 6.45 3.32 -1.71 -1.12 116.42 125.01 2i3r h ASP 1785Ca 0.22 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.14 2i3r h ASP 1785Cb 0.33 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 2i3r h ASP 1785CO -0.00 0.81 0.09 0.15 -1.72 0.00 0.00 179.24 178.57 2i3r h PHE 1786N 0.91 0.17 -0.02 4.55 3.57 -0.75 -0.30 116.94 125.07 2i3r h PHE 1786Ca 0.22 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.61 2i3r h PHE 1786Cb 0.19 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2i3r h PHE 1786CO 0.01 0.08 -0.57 -1.49 -2.23 0.00 0.00 178.31 174.10 2i3r h TRP 1787N 0.22 0.06 -0.63 0.41 4.06 -1.10 -1.34 115.95 117.62 2i3r h TRP 1787Ca 0.12 -0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.00 2i3r h TRP 1787Cb 0.08 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.20 2i3r h TRP 1787CO -0.13 0.61 0.23 -0.22 -3.56 0.00 0.00 178.44 175.38 2i3r h LYS 1788N 0.04 0.96 -0.58 0.49 3.64 -0.80 -0.41 116.57 119.90 2i3r h LYS 1788Ca -0.00 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 2i3r h LYS 1788Cb 1.03 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 2i3r h LYS 1788CO 0.08 0.82 0.31 1.98 -2.27 0.00 0.00 179.45 180.37 2i3r h MET 1789N 0.89 0.82 -0.66 1.90 4.05 -0.56 0.39 114.93 121.76 2i3r h MET 1789Ca 0.21 -0.10 0.01 0.00 -0.28 0.00 0.00 59.70 59.54 2i3r h MET 1789Cb 0.24 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 30.85 2i3r h MET 1789CO -0.01 0.64 0.43 0.28 0.23 0.00 0.00 176.91 178.48 2i3r h VAL 1790N 0.79 1.14 0.25 -5.77 2.07 -0.88 0.83 116.25 114.68 2i3r h VAL 1790Ca 0.20 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2i3r h VAL 1790Cb 0.07 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2i3r h VAL 1790CO -0.03 0.16 -0.12 -0.25 0.02 0.00 0.00 177.57 177.35 2i3r h TRP 1791N 0.86 -0.32 -0.29 1.57 2.91 -0.81 -1.15 115.95 118.74 2i3r h TRP 1791Ca 0.25 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.22 2i3r h TRP 1791Cb -0.06 0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.68 2i3r h TRP 1791CO -0.03 -0.01 -0.02 0.93 -1.03 0.00 0.00 178.44 178.27 2i3r h GLU 1792N -0.62 0.45 -0.26 2.65 5.08 -0.72 -2.51 114.58 118.64 2i3r h GLU 1792Ca -0.03 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2i3r h GLU 1792Cb 0.44 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2i3r h GLU 1792CO 0.06 0.49 0.00 1.04 -1.00 0.00 0.00 179.01 179.60 2i3r n GLN 1793N -4.29 1.75 -3.95 2.33 1.13 0.27 -4.93 117.38 109.69 2i3r n GLN 1793Ca 0.01 -1.16 -0.29 0.00 -1.94 0.00 0.00 57.00 53.62 2i3r n GLN 1793Cb 0.24 -1.33 0.01 0.00 0.11 0.00 0.00 30.24 29.28 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 0.40 -3.09 -4.73 1.08 5.15 -0.95 -4.00 115.26 109.13 2i3r n ASN 1794Ca 0.14 -0.87 -0.41 0.00 -0.60 0.00 0.00 54.58 52.83 2i3r n ASN 1794Cb 0.30 -3.55 -0.04 0.00 -0.53 0.00 0.00 39.78 35.97 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 -3.48 4.10 -0.22 3.44 1.01 -0.46 -0.45 120.40 124.35 2i3r s VAL 1795Ca 0.45 1.67 0.05 0.00 0.00 0.00 0.00 61.98 64.15 2i3r s VAL 1795Cb -0.23 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 2i3r s VAL 1795CO 0.86 0.22 0.20 1.41 0.00 0.00 0.00 175.10 177.79 2i3r n HIS 1796N 3.05 0.00 -3.98 5.22 8.25 -1.26 -4.85 115.22 121.65 2i3r n HIS 1796Ca 0.05 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.28 2i3r n HIS 1796Cb 0.47 -0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.41 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 -1.50 1.44 -0.07 0.41 -0.87 -1.26 -0.81 114.94 112.27 2i3r s ASN 1797Ca 0.02 -0.14 0.05 0.00 -1.57 0.00 0.00 52.86 51.21 2i3r s ASN 1797Cb 0.04 -0.52 -0.00 0.00 -0.02 0.00 0.00 41.25 40.74 2i3r s ASN 1797CO 0.20 -0.12 -0.23 -0.63 -2.57 0.00 0.00 177.10 173.75 2i3r s ILE 1798N 1.46 1.94 -0.19 0.60 1.01 -0.13 -1.72 121.20 124.17 2i3r s ILE 1798Ca -0.02 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.63 2i3r s ILE 1798Cb -0.13 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.68 2i3r s ILE 1798CO -0.03 0.54 -0.11 -0.69 0.00 0.00 0.00 174.94 174.65 2i3r s VAL 1799N 0.08 2.87 -0.19 2.92 1.01 0.91 -0.32 120.40 127.69 2i3r s VAL 1799Ca -0.10 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 2i3r s VAL 1799Cb -0.15 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 33.98 2i3r s VAL 1799CO 0.05 0.48 -0.16 -0.32 0.00 0.00 0.00 175.10 175.15 2i3r s MET 1800N 1.25 3.10 -0.33 2.72 0.00 -0.04 -0.78 119.30 125.21 2i3r s MET 1800Ca 0.03 -0.77 0.06 0.00 0.00 0.00 0.00 55.69 55.01 2i3r s MET 1800Cb -0.14 -2.68 0.45 0.00 0.00 0.00 0.00 34.83 32.46 2i3r s MET 1800CO -0.05 -0.20 1.24 1.33 0.00 0.00 0.00 175.02 177.34 2i3r n VAL 1801N 4.64 2.59 -3.78 10.11 0.24 -0.22 -0.54 118.33 131.38 2i3r n VAL 1801Ca -0.20 -4.22 -0.10 0.00 -2.04 0.00 0.00 64.34 57.78 2i3r n VAL 1801Cb 0.50 -1.16 -0.07 0.00 -1.47 0.00 0.00 33.84 31.65 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 -4.72 0.11 0.58 3.34 -1.32 -1.26 -4.79 115.64 107.58 2i3r s THR 1802Ca 0.52 -0.87 -0.07 0.00 -1.21 0.00 0.00 61.69 60.05 2i3r s THR 1802Cb 0.42 -1.13 -0.01 0.00 -1.51 0.00 0.00 72.50 70.26 2i3r s THR 1802CO 0.01 -0.48 0.91 -1.10 -2.21 0.00 0.00 174.62 171.75 2i3r s GLN 1803N -3.31 3.24 0.25 7.08 -0.21 -1.26 -4.83 119.66 120.63 2i3r s GLN 1803Ca 0.00 0.27 -0.00 0.00 0.02 0.00 0.00 55.36 55.65 2i3r s GLN 1803Cb 0.02 -2.23 0.30 0.00 1.00 0.00 0.00 33.01 32.10 2i3r s GLN 1803CO -0.08 -0.56 1.66 0.00 -2.12 0.00 0.00 175.29 174.19 2i3r s VAL 1805N -4.44 0.49 -0.25 0.00 1.01 -1.26 0.35 120.40 116.29 2i3r s VAL 1805Ca -0.07 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.84 2i3r s VAL 1805Cb 0.13 -0.53 0.06 0.00 0.00 0.00 0.00 36.38 36.04 2i3r s VAL 1805CO 0.81 0.22 -0.08 -1.61 0.00 0.00 0.00 175.10 174.44 2i3r s GLU 1806N 0.97 1.92 -1.44 2.72 2.02 -0.01 -4.69 118.70 120.18 2i3r s GLU 1806Ca -0.10 -1.19 -0.08 0.00 0.02 0.00 0.00 54.97 53.61 2i3r s GLU 1806Cb -0.14 -2.75 0.05 0.00 0.10 0.00 0.00 34.13 31.39 2i3r s GLU 1806CO -0.00 -0.59 0.87 1.63 0.02 0.00 0.00 175.26 177.18 2i3r n LYS 1807N 4.54 -5.31 -0.06 1.61 5.02 -1.26 -1.71 118.16 120.99 2i3r n LYS 1807Ca -0.13 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 2i3r n LYS 1807Cb 0.43 -5.36 0.00 0.00 -0.02 0.00 0.00 35.03 30.08 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 -1.67 2.36 3.63 0.72 0.00 -1.26 -5.01 105.19 103.96 2i3r n GLY 1808Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.18 4.10 0.06 1.61 0.52 -0.69 -5.03 118.95 119.34 2i3r s ARG 1809Ca 0.00 0.29 -0.31 0.00 -0.52 0.00 0.00 55.73 55.20 2i3r s ARG 1809Cb 0.00 -3.62 -0.08 0.00 0.52 0.00 0.00 34.95 31.77 2i3r s ARG 1809CO 0.00 -0.27 1.66 0.08 0.02 0.00 0.00 175.30 176.79 2i3r s VAL 1810N 2.04 3.07 -0.06 3.52 1.01 -1.26 -0.83 120.40 127.88 2i3r s VAL 1810Ca 0.21 0.48 0.07 0.00 0.00 0.00 0.00 61.98 62.74 2i3r s VAL 1810Cb -0.15 -3.31 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 2i3r s VAL 1810CO 0.09 -0.01 0.06 0.29 0.00 0.00 0.00 175.10 175.53 2i3r n LYS 1811N 5.75 2.26 -3.62 2.72 4.76 0.15 -4.94 118.16 125.24 2i3r n LYS 1811Ca 0.16 -0.02 -0.13 0.00 -2.87 0.00 0.00 58.31 55.46 2i3r n LYS 1811Cb 0.41 -1.20 -0.07 0.00 -1.84 0.00 0.00 35.03 32.33 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 0.16 6.05 -1.03 0.00 2.15 -0.44 -4.53 116.67 119.02 2i3r s ASP 1813Ca 0.00 2.11 -0.23 0.00 0.43 0.00 0.00 52.55 54.87 2i3r s ASP 1813Cb -0.04 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 40.01 2i3r s ASP 1813CO -0.00 -0.99 1.65 -2.28 -0.17 0.00 0.00 175.17 173.37 2i3r s HIS 1814N -1.79 2.33 -2.14 -5.34 5.65 -1.26 -4.80 115.29 107.93 2i3r s HIS 1814Ca 0.69 -0.45 0.17 0.00 0.25 0.00 0.00 55.06 55.72 2i3r s HIS 1814Cb -0.22 -4.48 0.51 0.00 -1.18 0.00 0.00 32.58 27.20 2i3r s HIS 1814CO 0.26 -1.82 1.41 2.48 -0.65 0.00 0.00 174.74 176.41 2i3r n TYR 1815N 10.56 0.50 -4.51 3.88 0.18 -1.26 -4.84 117.16 121.67 2i3r n TYR 1815Ca 0.38 -0.25 -0.25 0.00 1.88 0.00 0.00 57.90 59.66 2i3r n TYR 1815Cb 0.49 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.35 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 -1.50 2.30 0.41 -3.48 -2.14 -1.26 -5.04 118.94 108.23 2i3r s TRP 1816Ca 0.33 -0.52 -0.27 0.00 2.66 0.00 0.00 56.10 58.30 2i3r s TRP 1816Cb 0.18 -1.29 -0.10 0.00 -3.10 0.00 0.00 33.47 29.15 2i3r s TRP 1816CO 0.24 0.54 1.45 -2.30 -2.66 0.00 0.00 176.95 174.22 2i3r n PRO 1817N -0.74 2.48 0.19 3.25 -0.02 -1.26 -4.92 135.00 133.97 2i3r n PRO 1817Ca -0.05 0.87 0.14 0.00 -2.02 0.00 0.00 63.50 62.44 2i3r n PRO 1817Cb 0.63 -2.64 0.47 0.00 -0.02 0.00 0.00 33.50 31.95 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 2.66 1.00 -2.92 3.55 0.00 -1.94 -3.47 119.26 118.14 2i3r h ALA 1818Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2i3r h ALA 1818Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2i3r h ALA 1818CO 0.63 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 2i3r n ASP 1819N -2.66 0.00 -0.26 0.00 5.68 -1.26 -5.03 116.55 113.02 2i3r n ASP 1819Ca 0.03 -0.13 0.06 0.00 -0.50 0.00 0.00 54.79 54.25 2i3r n ASP 1819Cb 0.35 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.60 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 1.33 -2.99 0.11 6.02 -1.26 -4.39 117.38 116.20 2i3r n GLN 1820Ca 0.00 -0.51 -0.40 0.00 -0.01 0.00 0.00 57.00 56.09 2i3r n GLN 1820Cb 0.00 -1.23 -0.05 0.00 1.02 0.00 0.00 30.24 29.98 2i3r n GLN 1820CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2i3r s ASP 1821N -1.29 7.25 0.66 1.08 1.01 -1.26 -4.56 116.67 119.56 2i3r s ASP 1821Ca 0.20 1.49 -0.11 0.00 0.71 0.00 0.00 52.55 54.84 2i3r s ASP 1821Cb 0.10 -2.47 -0.01 0.00 1.01 0.00 0.00 42.92 41.54 2i3r s ASP 1821CO 0.15 0.07 1.05 -0.94 0.21 0.00 0.00 175.17 175.71 2i3r s SER 1822N -0.36 5.77 -0.00 0.27 1.04 -1.26 -4.71 113.70 114.45 2i3r s SER 1822Ca 0.38 1.54 -0.07 0.00 0.48 0.00 0.00 55.95 58.27 2i3r s SER 1822Cb -0.21 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2i3r s SER 1822CO 0.24 -1.18 0.13 -0.76 0.98 0.00 0.00 173.24 172.65 2i3r s LEU 1823N -5.35 1.57 0.24 2.42 1.43 -0.59 -5.01 118.68 113.40 2i3r s LEU 1823Ca 0.57 -0.16 -0.25 0.00 -1.03 0.00 0.00 54.13 53.26 2i3r s LEU 1823Cb -0.13 0.63 -0.09 0.00 0.03 0.00 0.00 46.19 46.63 2i3r s LEU 1823CO 0.54 -0.33 0.85 -0.31 0.23 0.00 0.00 176.35 177.33 2i3r s TYR 1824N -1.21 3.80 -0.30 0.29 2.02 -1.26 -1.33 117.35 119.36 2i3r s TYR 1824Ca -0.13 1.69 0.01 0.00 -0.37 0.00 0.00 57.07 58.27 2i3r s TYR 1824Cb -0.07 -2.83 0.09 0.00 -0.40 0.00 0.00 41.96 38.75 2i3r s TYR 1824CO 0.01 0.37 0.04 0.71 -1.57 0.00 0.00 175.55 175.11 2i3r s TYR 1825N -1.39 2.61 0.00 2.71 1.51 0.12 -4.97 117.35 117.94 2i3r s TYR 1825Ca 0.43 -2.18 0.00 0.00 -1.01 0.00 0.00 57.07 54.31 2i3r s TYR 1825Cb -0.21 -2.10 0.00 0.00 -0.11 0.00 0.00 41.96 39.54 2i3r s TYR 1825CO 0.25 -0.87 0.00 0.41 -1.11 0.00 0.00 175.55 174.23 2i3r n GLY 1826N 4.59 4.20 0.92 0.71 0.00 -1.26 -1.97 105.19 112.38 2i3r n GLY 1826Ca -0.03 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 8.29 2.65 -4.64 1.61 8.00 -1.26 -4.91 116.55 126.29 2i3r n ASP 1827Ca 0.00 -2.02 -0.30 0.00 0.71 0.00 0.00 54.79 53.18 2i3r n ASP 1827Cb 0.00 -0.34 -0.09 0.00 -0.02 0.00 0.00 41.12 40.68 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 -1.03 3.30 -0.09 0.64 1.43 -0.83 -4.69 118.68 117.41 2i3r s LEU 1828Ca 0.33 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 2i3r s LEU 1828Cb 0.17 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 2i3r s LEU 1828CO 0.22 0.19 -0.12 -0.63 0.23 0.00 0.00 176.35 176.23 2i3r s ILE 1829N -1.25 3.21 -0.04 -0.59 1.01 -0.46 -0.70 121.20 122.37 2i3r s ILE 1829Ca 0.23 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.31 2i3r s ILE 1829Cb -0.11 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 2i3r s ILE 1829CO 0.16 0.56 -0.23 -0.22 0.00 0.00 0.00 174.94 175.21 2i3r s LEU 1830N -0.28 2.03 -0.06 2.97 2.96 -0.44 -1.09 118.68 124.77 2i3r s LEU 1830Ca 0.02 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 2i3r s LEU 1830Cb -0.13 -1.23 0.02 0.00 0.50 0.00 0.00 46.19 45.35 2i3r s LEU 1830CO 0.03 0.24 -0.09 -1.10 -1.32 0.00 0.00 176.35 174.11 2i3r s GLN 1831N -0.27 1.40 -0.34 1.98 -0.21 -0.36 -1.55 119.66 120.31 2i3r s GLN 1831Ca 0.01 -0.30 -0.23 0.00 0.02 0.00 0.00 55.36 54.86 2i3r s GLN 1831Cb -0.11 -1.24 0.01 0.00 1.00 0.00 0.00 33.01 32.66 2i3r s GLN 1831CO 0.02 -0.04 0.79 1.41 -2.12 0.00 0.00 175.29 175.34 2i3r s MET 1832N 0.86 3.85 0.11 2.91 -2.45 -1.26 -0.50 119.30 122.82 2i3r s MET 1832Ca -0.11 0.44 0.15 0.00 -1.25 0.00 0.00 55.69 54.92 2i3r s MET 1832Cb -0.15 -3.77 -0.10 0.00 1.25 0.00 0.00 34.83 32.05 2i3r s MET 1832CO 0.01 -0.77 0.99 -0.07 1.05 0.00 0.00 175.02 176.24 2i3r h LEU 1833N 9.61 0.00 -7.00 4.11 3.38 -0.55 -3.41 115.31 121.46 2i3r h LEU 1833Ca -0.25 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.75 2i3r h LEU 1833Cb 1.10 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.68 2i3r h LEU 1833CO 0.90 0.64 0.34 -0.94 0.09 0.00 0.00 178.44 179.47 2i3r s SER 1834N -6.05 -0.50 -0.14 -0.43 1.04 -1.14 -4.97 113.70 101.50 2i3r s SER 1834Ca -0.01 0.26 -0.05 0.00 0.48 0.00 0.00 55.95 56.62 2i3r s SER 1834Cb 0.08 0.47 0.07 0.00 0.10 0.00 0.00 66.02 66.74 2i3r s SER 1834CO 0.80 -0.67 0.30 -0.70 0.98 0.00 0.00 173.24 173.94 2i3r s GLU 1835N -2.45 0.19 -0.25 4.02 2.12 -1.26 -1.38 118.70 119.70 2i3r s GLU 1835Ca -0.02 0.79 0.03 0.00 0.36 0.00 0.00 54.97 56.13 2i3r s GLU 1835Cb -0.01 0.03 0.06 0.00 0.26 0.00 0.00 34.13 34.47 2i3r s GLU 1835CO -0.03 -0.27 -0.11 0.45 -0.54 0.00 0.00 175.26 174.76 2i3r s SER 1836N 2.33 4.26 -0.32 -1.70 0.15 0.44 -4.98 113.70 113.88 2i3r s SER 1836Ca -0.01 -1.31 -0.16 0.00 0.70 0.00 0.00 55.95 55.18 2i3r s SER 1836Cb -0.12 -1.50 -0.02 0.00 -1.71 0.00 0.00 66.02 62.68 2i3r s SER 1836CO -0.09 -0.18 0.40 -0.69 1.20 0.00 0.00 173.24 173.87 2i3r s VAL 1837N 1.15 5.14 0.44 4.45 1.01 -1.26 -0.95 120.40 130.38 2i3r s VAL 1837Ca -0.07 0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.22 2i3r s VAL 1837Cb -0.19 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 2i3r s VAL 1837CO -0.06 -0.05 0.27 -0.76 0.00 0.00 0.00 175.10 174.50 2i3r s LEU 1838N 2.11 3.08 0.46 3.92 1.43 0.10 -5.01 118.68 124.77 2i3r s LEU 1838Ca 0.14 -1.05 0.14 0.00 -1.03 0.00 0.00 54.13 52.33 2i3r s LEU 1838Cb -0.16 -1.52 1.08 0.00 0.03 0.00 0.00 46.19 45.62 2i3r s LEU 1838CO 0.12 -0.69 2.04 -0.65 0.23 0.00 0.00 176.35 177.39 2i3r h PRO 1839N 1.19 0.30 -0.00 1.29 0.11 -2.02 -3.22 132.00 129.65 2i3r h PRO 1839Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2i3r h PRO 1839Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2i3r h PRO 1839CO 0.64 0.20 -0.02 0.39 -0.21 0.00 0.00 178.00 179.01 2i3r n GLU 1840N -4.48 5.58 -3.64 1.05 1.02 -1.26 -4.92 120.64 114.00 2i3r n GLU 1840Ca 0.05 -0.09 -0.10 0.00 -0.02 0.00 0.00 57.16 57.00 2i3r n GLU 1840Cb 0.25 -0.60 -0.03 0.00 -0.02 0.00 0.00 31.44 31.04 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 -0.88 -0.26 -0.04 -0.32 -2.14 -1.22 -1.83 118.94 112.25 2i3r s TRP 1841Ca 0.00 -0.05 0.04 0.00 2.66 0.00 0.00 56.10 58.75 2i3r s TRP 1841Cb 0.00 0.45 -0.00 0.00 -3.10 0.00 0.00 33.47 30.83 2i3r s TRP 1841CO 0.02 -0.90 -0.14 0.99 -2.66 0.00 0.00 176.95 174.26 2i3r s THR 1842N -3.83 1.21 -0.20 0.66 2.01 0.47 -0.72 115.64 115.24 2i3r s THR 1842Ca 0.06 -0.60 -0.02 0.00 0.31 0.00 0.00 61.69 61.44 2i3r s THR 1842Cb -0.01 -1.05 0.00 0.00 0.01 0.00 0.00 72.50 71.45 2i3r s THR 1842CO -0.06 0.36 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.49 2i3r s ILE 1843N 0.09 2.86 0.13 1.82 1.01 -0.12 -0.42 121.20 126.57 2i3r s ILE 1843Ca -0.03 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.01 2i3r s ILE 1843Cb -0.10 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 2i3r s ILE 1843CO 0.02 0.47 -0.01 -0.13 0.00 0.00 0.00 174.94 175.29 2i3r s ARG 1844N 1.36 2.44 -0.07 2.79 0.52 -0.12 -0.42 118.95 125.44 2i3r s ARG 1844Ca 0.05 -0.98 0.04 0.00 -0.52 0.00 0.00 55.73 54.32 2i3r s ARG 1844Cb -0.14 -2.43 -0.00 0.00 0.52 0.00 0.00 34.95 32.90 2i3r s ARG 1844CO -0.06 0.50 -0.20 -1.21 0.02 0.00 0.00 175.30 174.34 2i3r s GLU 1845N -2.59 2.27 0.11 3.54 2.02 -0.48 -0.80 118.70 122.77 2i3r s GLU 1845Ca 0.26 -0.71 0.10 0.00 0.02 0.00 0.00 54.97 54.65 2i3r s GLU 1845Cb -0.11 -1.85 -0.04 0.00 0.10 0.00 0.00 34.13 32.23 2i3r s GLU 1845CO 0.18 0.22 -0.27 -0.06 0.02 0.00 0.00 175.26 175.35 2i3r s PHE 1846N 0.19 2.28 -0.14 1.61 0.08 0.55 0.25 117.98 122.81 2i3r s PHE 1846Ca -0.10 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 56.52 2i3r s PHE 1846Cb -0.14 -1.27 -0.03 0.00 -0.57 0.00 0.00 43.02 41.01 2i3r s PHE 1846CO 0.05 0.29 0.02 0.21 -0.10 0.00 0.00 175.22 175.68 2i3r s LYS 1847N -1.87 3.51 -0.04 0.44 2.20 0.35 -0.78 119.74 123.54 2i3r s LYS 1847Ca 0.13 -0.41 0.06 0.00 -0.36 0.00 0.00 55.97 55.39 2i3r s LYS 1847Cb -0.10 -2.98 -0.01 0.00 -1.51 0.00 0.00 37.83 33.24 2i3r s LYS 1847CO 0.05 0.44 -0.22 -1.50 -0.36 0.00 0.00 175.35 173.77 2i3r s ILE 1848N -0.15 1.78 -0.10 5.43 2.07 -0.57 -1.23 121.20 128.43 2i3r s ILE 1848Ca 0.05 -0.92 0.02 0.00 -1.41 0.00 0.00 60.65 58.39 2i3r s ILE 1848Cb -0.12 -1.50 0.01 0.00 0.13 0.00 0.00 42.46 40.97 2i3r s ILE 1848CO 0.02 0.50 -0.17 0.00 -1.91 0.00 0.00 174.94 173.38 2i3r n GLY 1850N 3.95 0.00 0.00 0.00 0.00 -1.26 -1.36 105.19 106.51 2i3r n GLY 1850Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2i3r n GLY 1850CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i3r n ALA 1856N -1.61 -0.06 -2.96 4.61 0.00 -1.26 -5.03 120.51 114.20 2i3r n ALA 1856Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2i3r n ALA 1856Cb 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.35 2i3r n ALA 1856CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2i3r s HIS 1857N 0.00 0.40 0.11 0.00 0.00 -1.26 -4.98 115.29 109.56 2i3r s HIS 1857Ca 0.00 -0.07 0.06 0.00 -3.00 0.00 0.00 55.06 52.05 2i3r s HIS 1857Cb 0.00 -0.30 -0.04 0.00 -4.00 0.00 0.00 32.58 28.24 2i3r s HIS 1857CO 0.00 -0.04 -0.16 1.03 -1.00 0.00 0.00 174.74 174.58 2i3r s ARG 1858N 0.12 1.02 -0.22 -0.38 0.52 -0.68 -4.95 118.95 114.37 2i3r s ARG 1858Ca -0.01 -1.17 -0.10 0.00 -0.52 0.00 0.00 55.73 53.94 2i3r s ARG 1858Cb -0.04 -1.02 -0.05 0.00 0.52 0.00 0.00 34.95 34.36 2i3r s ARG 1858CO -0.00 0.21 0.13 -1.17 0.02 0.00 0.00 175.30 174.49 2i3r s LEU 1859N -2.19 4.01 -0.08 2.53 2.96 -1.26 -1.52 118.68 123.13 2i3r s LEU 1859Ca 0.06 0.10 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 2i3r s LEU 1859Cb -0.07 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 2i3r s LEU 1859CO 0.03 0.10 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.32 2i3r s ILE 1860N 0.86 2.42 -0.07 6.68 -1.09 0.04 -4.80 121.20 125.23 2i3r s ILE 1860Ca 0.06 -0.92 -0.02 0.00 -2.23 0.00 0.00 60.65 57.54 2i3r s ILE 1860Cb -0.13 -1.93 -0.04 0.00 -1.58 0.00 0.00 42.46 38.79 2i3r s ILE 1860CO 0.03 0.56 0.04 -0.13 -1.23 0.00 0.00 174.94 174.21 2i3r s ARG 1861N -0.07 3.06 -0.13 2.79 0.52 0.00 -0.33 118.95 124.79 2i3r s ARG 1861Ca -0.05 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 54.80 2i3r s ARG 1861Cb -0.14 -2.86 0.01 0.00 0.52 0.00 0.00 34.95 32.47 2i3r s ARG 1861CO 0.04 0.70 -0.21 -1.58 0.02 0.00 0.00 175.30 174.27 2i3r s HIS 1862N -0.98 2.55 -0.32 -0.53 5.65 0.02 -0.95 115.29 120.73 2i3r s HIS 1862Ca 0.16 -1.24 0.01 0.00 0.25 0.00 0.00 55.06 54.24 2i3r s HIS 1862Cb -0.12 -1.74 0.08 0.00 -1.18 0.00 0.00 32.58 29.62 2i3r s HIS 1862CO 0.05 -0.56 0.02 -0.06 -0.65 0.00 0.00 174.74 173.53 2i3r s PHE 1863N 0.77 3.47 -0.35 3.88 0.40 0.57 -0.95 117.98 125.77 2i3r s PHE 1863Ca -0.09 -2.44 -0.04 0.00 -0.60 0.00 0.00 56.93 53.76 2i3r s PHE 1863Cb -0.16 -2.49 0.07 0.00 0.51 0.00 0.00 43.02 40.94 2i3r s PHE 1863CO -0.00 -0.90 0.11 -1.58 0.70 0.00 0.00 175.22 173.55 2i3r s HIS 1864N 1.08 3.35 -0.23 0.36 2.46 0.44 -0.86 115.29 121.89 2i3r s HIS 1864Ca 0.01 -1.84 -0.26 0.00 0.47 0.00 0.00 55.06 53.44 2i3r s HIS 1864Cb -0.20 -2.55 -0.00 0.00 -0.13 0.00 0.00 32.58 29.70 2i3r s HIS 1864CO -0.05 -0.83 0.89 -0.47 -2.47 0.00 0.00 174.74 171.81 2i3r s TYR 1865N 1.29 3.33 -1.39 3.88 5.04 0.30 -0.39 117.35 129.41 2i3r s TYR 1865Ca 0.00 1.24 0.12 0.00 -2.44 0.00 0.00 57.07 56.00 2i3r s TYR 1865Cb -0.21 -3.11 0.17 0.00 0.35 0.00 0.00 41.96 39.16 2i3r s TYR 1865CO -0.00 -0.41 1.02 0.25 -1.34 0.00 0.00 175.55 175.06 2i3r n THR 1866N 5.23 0.31 -0.01 4.34 -2.24 -0.76 -3.98 114.28 117.18 2i3r n THR 1866Ca 0.07 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2i3r n THR 1866Cb 0.47 1.02 0.01 0.00 -2.10 0.00 0.00 70.33 69.73 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 0.68 0.84 -1.76 2.28 0.24 -1.25 -4.87 118.33 114.47 2i3r n VAL 1867Ca 0.09 -0.92 -0.42 0.00 -2.04 0.00 0.00 64.34 61.05 2i3r n VAL 1867Cb 0.35 0.59 -0.03 0.00 -1.47 0.00 0.00 33.84 33.28 2i3r n VAL 1867CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 2i3r s TRP 1868N -0.85 2.93 0.73 6.34 -0.11 -1.26 -4.92 118.94 121.79 2i3r s TRP 1868Ca 0.02 0.39 -0.16 0.00 1.22 0.00 0.00 56.10 57.57 2i3r s TRP 1868Cb 0.01 -4.10 0.02 0.00 -1.50 0.00 0.00 33.47 27.90 2i3r s TRP 1868CO 0.01 -4.17 1.10 -2.30 -4.62 0.00 0.00 176.95 166.97 2i3r n PRO 1869N 4.01 0.57 0.23 5.86 -0.02 -1.26 -4.92 135.00 139.46 2i3r n PRO 1869Ca 0.16 0.26 0.07 0.00 -2.02 0.00 0.00 63.50 61.96 2i3r n PRO 1869Cb 0.36 -2.35 0.53 0.00 -0.02 0.00 0.00 33.50 32.02 2i3r n PRO 1869CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2i3r h ASP 1870N -0.23 0.00 -4.09 2.55 3.32 -1.97 -3.42 116.42 112.59 2i3r h ASP 1870Ca -0.48 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.21 2i3r h ASP 1870Cb 1.33 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.60 2i3r h ASP 1870CO 0.48 0.21 -0.77 -1.00 -1.72 0.00 0.00 179.24 176.45 2i3r s HIS 1871N -4.37 0.70 0.00 4.55 3.76 -1.26 -5.10 115.29 113.57 2i3r s HIS 1871Ca -0.03 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 2i3r s HIS 1871Cb 0.15 -0.44 0.00 0.00 1.11 0.00 0.00 32.58 33.39 2i3r s HIS 1871CO 0.67 -0.02 0.00 0.41 -0.85 0.00 0.00 174.74 174.95 2i3r n GLY 1872N 2.67 -2.05 4.00 -2.22 0.00 -1.26 -4.96 105.19 101.37 2i3r n GLY 1872Ca -0.15 -1.41 -0.17 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 2.97 0.73 1.61 -7.23 -1.26 -4.56 120.40 112.65 2i3r s VAL 1873Ca 0.00 -1.02 -0.16 0.00 -1.81 0.00 0.00 61.98 58.99 2i3r s VAL 1873Cb 0.00 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 33.96 2i3r s VAL 1873CO 0.00 0.00 0.89 -2.65 -0.31 0.00 0.00 175.10 173.03 2i3r n PRO 1874N -1.84 0.45 0.25 4.82 -0.02 -1.26 -4.67 135.00 132.73 2i3r n PRO 1874Ca 0.08 0.21 0.13 0.00 -2.02 0.00 0.00 63.50 61.90 2i3r n PRO 1874Cb 0.59 -2.15 0.57 0.00 -0.02 0.00 0.00 33.50 32.49 2i3r n PRO 1874CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2i3r h GLU 1875N -0.31 0.00 -5.22 -0.52 3.07 -1.97 -3.43 114.58 106.20 2i3r h GLU 1875Ca -0.47 0.00 -0.38 0.00 -0.50 0.00 0.00 59.36 58.01 2i3r h GLU 1875Cb 1.33 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 29.06 2i3r h GLU 1875CO 0.46 0.13 -0.75 0.95 -1.40 0.00 0.00 179.01 178.40 2i3r s THR 1876N -3.72 1.13 0.15 1.13 -4.23 -1.26 -5.02 115.64 103.81 2i3r s THR 1876Ca 0.00 -1.58 -0.06 0.00 -1.18 0.00 0.00 61.69 58.87 2i3r s THR 1876Cb 0.10 -1.34 -0.12 0.00 1.34 0.00 0.00 72.50 72.48 2i3r s THR 1876CO 0.60 -0.42 1.39 0.71 -0.54 0.00 0.00 174.62 176.36 2i3r h THR 1877N 3.73 1.33 -0.71 3.99 1.35 -1.95 -3.33 112.91 117.33 2i3r h THR 1877Ca -0.39 -2.03 0.14 0.00 -0.55 0.00 0.00 66.41 63.58 2i3r h THR 1877Cb 1.19 2.01 -0.05 0.00 -1.73 0.00 0.00 68.15 69.58 2i3r h THR 1877CO 0.49 0.63 0.47 1.56 -0.25 0.00 0.00 175.52 178.42 2i3r h GLN 1878N 0.41 0.38 0.20 4.72 7.50 -1.97 -1.15 115.11 125.20 2i3r h GLN 1878Ca -0.03 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.08 2i3r h GLN 1878Cb 1.32 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 28.76 2i3r h GLN 1878CO 0.14 0.25 -0.10 1.03 -1.50 0.00 0.00 178.83 178.65 2i3r h SER 1879N 0.39 -0.23 0.37 1.46 0.87 -2.00 -0.28 113.55 114.14 2i3r h SER 1879Ca 0.34 -0.07 -0.23 0.00 -1.23 0.00 0.00 61.79 60.60 2i3r h SER 1879Cb 0.78 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2i3r h SER 1879CO -0.10 -0.08 -0.99 0.25 -0.53 0.00 0.00 176.83 175.38 2i3r h LEU 1880N -0.37 0.53 -0.63 2.23 5.85 -1.68 -1.93 115.31 119.31 2i3r h LEU 1880Ca -0.03 -0.44 0.07 0.00 0.84 0.00 0.00 57.88 58.32 2i3r h LEU 1880Cb 0.29 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2i3r h LEU 1880CO 0.05 1.25 0.32 0.40 -0.34 0.00 0.00 178.44 180.12 2i3r h ILE 1881N 0.21 0.91 -0.04 4.05 2.04 -1.14 0.47 117.51 124.01 2i3r h ILE 1881Ca -0.09 -0.20 -0.18 0.00 1.00 0.00 0.00 64.86 65.39 2i3r h ILE 1881Cb 1.64 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2i3r h ILE 1881CO 0.17 0.11 -0.77 1.56 0.00 0.00 0.00 178.15 179.22 2i3r h GLN 1882N 0.58 0.30 -0.09 2.37 1.08 -0.94 -0.67 115.11 117.74 2i3r h GLN 1882Ca 0.29 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2i3r h GLN 1882Cb 0.24 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2i3r h GLN 1882CO -0.21 0.93 0.02 0.35 -0.95 0.00 0.00 178.83 178.97 2i3r h PHE 1883N 0.19 0.16 -0.61 2.96 3.57 -1.00 -1.58 116.94 120.64 2i3r h PHE 1883Ca -0.03 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.45 2i3r h PHE 1883Cb 1.35 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 2i3r h PHE 1883CO 0.04 0.34 0.40 0.28 -2.23 0.00 0.00 178.31 177.13 2i3r h VAL 1884N -0.07 1.15 -0.80 1.41 2.07 -0.68 -1.13 116.25 118.19 2i3r h VAL 1884Ca 0.03 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2i3r h VAL 1884Cb 0.26 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2i3r h VAL 1884CO 0.00 0.15 0.42 0.03 0.02 0.00 0.00 177.57 178.19 2i3r h ARG 1885N 0.81 1.13 -0.19 1.57 3.08 -1.01 -0.61 114.38 119.17 2i3r h ARG 1885Ca 0.22 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2i3r h ARG 1885Cb -0.08 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.74 2i3r h ARG 1885CO -0.05 0.85 0.02 1.15 -1.07 0.00 0.00 179.97 180.86 2i3r h THR 1886N 1.13 1.24 -0.43 2.04 2.02 -0.79 -1.83 112.91 116.29 2i3r h THR 1886Ca 0.28 -0.78 0.03 0.00 0.77 0.00 0.00 66.41 66.71 2i3r h THR 1886Cb 0.06 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 2i3r h THR 1886CO -0.04 0.24 0.22 0.58 0.37 0.00 0.00 175.52 176.89 2i3r h VAL 1887N 0.09 0.98 -0.61 3.16 2.07 -0.92 -2.77 116.25 118.25 2i3r h VAL 1887Ca 0.05 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 2i3r h VAL 1887Cb 0.34 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2i3r h VAL 1887CO 0.01 0.08 0.23 -0.09 0.02 0.00 0.00 177.57 177.82 2i3r h ARG 1888N 0.44 0.89 -0.41 1.57 9.65 -1.08 0.13 114.38 125.57 2i3r h ARG 1888Ca 0.18 -0.15 0.06 0.00 -1.10 0.00 0.00 59.98 58.98 2i3r h ARG 1888Cb 0.08 -0.15 -0.06 0.00 -1.39 0.00 0.00 29.97 28.45 2i3r h ARG 1888CO -0.12 0.74 0.08 0.22 2.80 0.00 0.00 179.97 183.69 2i3r h ASP 1889N 0.88 0.01 -0.53 -3.80 1.82 -1.06 0.23 116.42 113.96 2i3r h ASP 1889Ca 0.21 0.07 -0.11 0.00 -0.39 0.00 0.00 57.03 56.81 2i3r h ASP 1889Cb 0.19 0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.28 2i3r h ASP 1889CO -0.02 0.04 -0.10 1.88 -1.61 0.00 0.00 179.24 179.43 2i3r h TYR 1890N 0.21 1.12 -0.69 0.28 0.05 -1.08 -2.56 116.97 114.29 2i3r h TYR 1890Ca 0.20 -0.23 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 2i3r h TYR 1890Cb 0.24 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 2i3r h TYR 1890CO -0.20 1.04 0.35 0.82 -1.05 0.00 0.00 178.16 179.12 2i3r h ILE 1891N 0.88 1.22 0.00 -2.88 2.04 -0.46 -2.00 117.51 116.31 2i3r h ILE 1891Ca 0.14 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 2i3r h ILE 1891Cb 0.66 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2i3r h ILE 1891CO 0.05 0.25 -0.07 0.78 0.00 0.00 0.00 178.15 179.17 2i3r h ASN 1892N 0.96 0.00 -0.24 1.72 2.35 -0.83 -1.17 115.58 118.37 2i3r h ASN 1892Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2i3r h ASN 1892Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2i3r h ASN 1892CO -0.03 0.07 0.00 0.54 -1.65 0.00 0.00 177.43 176.35 2i3r n ARG 1893N -3.40 1.64 -2.96 0.81 1.74 -0.77 -4.48 116.66 109.24 2i3r n ARG 1893Ca -0.02 -0.99 -0.26 0.00 -0.77 0.00 0.00 57.85 55.81 2i3r n ARG 1893Cb 0.21 -1.27 -0.04 0.00 -1.02 0.00 0.00 32.46 30.35 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 0.27 4.07 -0.09 0.55 7.64 -0.44 -4.96 113.62 120.66 2i3r n SER 1894Ca 0.11 -3.61 0.01 0.00 1.01 0.00 0.00 58.87 56.39 2i3r n SER 1894Cb 0.25 -0.57 0.30 0.00 -1.01 0.00 0.00 64.21 63.18 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 2.98 0.74 0.00 1.43 0.13 -1.79 -1.72 132.00 133.77 2i3r h PRO 1895Ca 0.13 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2i3r h PRO 1895Cb 0.56 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.55 2i3r h PRO 1895CO 0.78 0.57 0.00 0.41 -0.23 0.00 0.00 178.00 179.53 2i3r n GLY 1896N -1.22 -0.87 3.84 1.56 0.00 -1.26 -4.92 105.19 102.32 2i3r n GLY 1896Ca 0.05 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.41 3.06 1.00 4.61 0.00 -0.65 -5.06 121.76 121.30 2i3r s ALA 1897Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2i3r s ALA 1897Cb 0.06 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2i3r s ALA 1897CO 0.20 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2i3r n GLY 1898N -1.68 -1.40 3.73 0.00 0.00 0.41 -4.99 105.19 101.26 2i3r n GLY 1898Ca 0.07 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 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 2.39 -0.11 1.61 0.02 -1.26 -4.74 135.00 132.90 2i3r s PRO 1899Ca 0.00 1.76 -0.27 0.00 0.02 0.00 0.00 61.00 62.51 2i3r s PRO 1899Cb 0.00 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.64 2i3r s PRO 1899CO 0.00 -1.64 0.90 0.99 -0.33 0.00 0.00 177.00 176.91 2i3r s THR 1900N -1.90 4.86 0.09 0.99 2.01 -0.56 -4.48 115.64 116.65 2i3r s THR 1900Ca 0.75 1.81 -0.26 0.00 0.31 0.00 0.00 61.69 64.30 2i3r s THR 1900Cb -0.29 -4.21 -0.06 0.00 0.01 0.00 0.00 72.50 67.94 2i3r s THR 1900CO 0.42 0.06 0.81 -0.69 -0.69 0.00 0.00 174.62 174.53 2i3r s VAL 1901N 1.80 4.59 -0.04 3.82 1.01 -0.70 -0.98 120.40 129.91 2i3r s VAL 1901Ca 0.44 1.73 0.02 0.00 0.00 0.00 0.00 61.98 64.17 2i3r s VAL 1901Cb -0.18 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.05 2i3r s VAL 1901CO 0.17 0.40 -0.09 -0.69 0.00 0.00 0.00 175.10 174.89 2i3r s VAL 1902N -0.33 0.83 0.08 2.92 1.01 0.26 -0.06 120.40 125.11 2i3r s VAL 1902Ca 0.39 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 2i3r s VAL 1902Cb -0.22 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 2i3r s VAL 1902CO 0.25 0.28 0.19 -1.38 0.00 0.00 0.00 175.10 174.44 2i3r s HIS 1903N 0.56 0.13 0.00 5.22 -3.43 0.04 -2.22 115.29 115.58 2i3r s HIS 1903Ca -0.09 -0.54 0.00 0.00 -0.80 0.00 0.00 55.06 53.63 2i3r s HIS 1903Cb -0.13 -0.05 0.00 0.00 -1.43 0.00 0.00 32.58 30.97 2i3r s HIS 1903CO 0.01 -0.53 0.00 0.00 -2.00 0.00 0.00 174.74 172.22 2i3r h SER 1905N 0.00 0.00 0.50 0.00 0.87 -1.89 -2.61 113.55 110.42 2i3r h SER 1905Ca 0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 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 1.14 -0.82 0.00 -0.53 0.00 0.00 176.83 176.62 2i3r n ALA 1906N -3.41 3.44 -1.93 6.23 0.00 -1.26 -0.83 120.51 122.75 2i3r n ALA 1906Ca -0.20 -0.37 -0.06 0.00 0.00 0.00 0.00 53.44 52.81 2i3r n ALA 1906Cb 0.48 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 2i3r n ALA 1906CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i3r n GLY 1907N 1.40 0.27 1.36 0.00 0.00 -1.24 -4.21 105.19 102.77 2i3r n GLY 1907Ca 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.77 0.23 -0.03 1.61 0.24 -1.26 -4.67 118.33 110.68 2i3r n VAL 1908Ca -0.07 0.08 -0.01 0.00 -2.04 0.00 0.00 64.34 62.30 2i3r n VAL 1908Cb 0.48 -1.17 -0.00 0.00 -1.47 0.00 0.00 33.84 31.68 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 1.12 7.63 0.00 -1.93 -1.84 103.07 108.05 2i3r h GLY 1909Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2i3r h GLY 1909CO 0.00 0.00 0.26 3.21 0.00 0.00 0.00 176.54 180.01 2i3r h ARG 1910N -0.46 1.12 -0.18 4.80 3.08 -1.95 -1.23 114.38 119.55 2i3r h ARG 1910Ca 0.00 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2i3r h ARG 1910Cb 0.12 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2i3r h ARG 1910CO 0.00 0.93 0.12 1.15 -1.07 0.00 0.00 179.97 181.09 2i3r h THR 1911N 1.08 1.07 -0.23 2.04 2.02 -1.89 0.41 112.91 117.40 2i3r h THR 1911Ca 0.24 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 2i3r h THR 1911Cb 0.25 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2i3r h THR 1911CO -0.01 0.06 -0.21 1.23 0.37 0.00 0.00 175.52 176.96 2i3r h GLY 1912N 0.23 0.46 0.95 2.16 0.00 -1.18 -1.10 103.07 104.59 2i3r h GLY 1912Ca 0.07 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 2i3r h GLY 1912CO -0.01 0.32 -0.18 -0.84 0.00 0.00 0.00 176.54 175.82 2i3r h THR 1913N 0.38 1.29 -0.16 4.70 2.02 -0.84 0.03 112.91 120.33 2i3r h THR 1913Ca 0.06 -1.31 0.01 0.00 0.77 0.00 0.00 66.41 65.94 2i3r h THR 1913Cb 0.58 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 2i3r h THR 1913CO 0.04 0.42 0.09 0.15 0.37 0.00 0.00 175.52 176.60 2i3r h PHE 1914N 0.44 0.18 -0.38 3.16 3.57 -0.66 0.03 116.94 123.28 2i3r h PHE 1914Ca 0.07 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 2i3r h PHE 1914Cb 0.72 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 2i3r h PHE 1914CO 0.06 0.11 -0.16 0.82 -2.23 0.00 0.00 178.31 176.91 2i3r h ILE 1915N 0.20 1.28 -0.47 1.41 2.04 -1.08 -0.15 117.51 120.73 2i3r h ILE 1915Ca 0.06 -1.28 0.03 0.00 1.00 0.00 0.00 64.86 64.68 2i3r h ILE 1915Cb -0.01 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 2i3r h ILE 1915CO -0.03 0.42 0.25 0.00 0.00 0.00 0.00 178.15 178.80 2i3r h ALA 1916N 0.81 0.60 -0.45 1.87 0.00 -0.88 -0.25 119.26 120.96 2i3r h ALA 1916Ca 0.09 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2i3r h ALA 1916Cb 0.70 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2i3r h ALA 1916CO 0.05 -0.09 0.05 1.25 0.00 0.00 0.00 179.25 180.51 2i3r h LEU 1917N 0.50 0.74 -0.54 0.00 5.85 -0.62 -0.01 115.31 121.23 2i3r h LEU 1917Ca 0.20 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.72 2i3r h LEU 1917Cb 0.09 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 2i3r h LEU 1917CO -0.13 0.83 0.19 -0.78 -0.34 0.00 0.00 178.44 178.22 2i3r h ASP 1918N 0.62 0.19 -0.31 1.25 3.58 -0.74 -1.18 116.42 119.84 2i3r h ASP 1918Ca 0.13 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.60 2i3r h ASP 1918Cb 0.42 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 2i3r h ASP 1918CO 0.01 0.13 0.00 0.03 -2.88 0.00 0.00 179.24 176.54 2i3r h ARG 1919N 0.37 0.54 -0.25 0.28 3.08 -0.74 -2.75 114.38 114.91 2i3r h ARG 1919Ca 0.26 -0.17 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 2i3r h ARG 1919Cb 0.30 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2i3r h ARG 1919CO -0.27 0.68 -0.49 -0.84 -1.07 0.00 0.00 179.97 177.98 2i3r h ILE 1920N 0.34 1.30 -0.91 2.04 3.07 -0.87 -1.84 117.51 120.64 2i3r h ILE 1920Ca 0.09 -1.69 0.02 0.00 1.55 0.00 0.00 64.86 64.83 2i3r h ILE 1920Cb 0.43 1.63 -0.05 0.00 -0.27 0.00 0.00 36.82 38.57 2i3r h ILE 1920CO 0.02 0.54 0.60 -0.07 -1.05 0.00 0.00 178.15 178.18 2i3r h LEU 1921N 0.53 1.01 -0.87 0.16 3.38 -1.23 -1.34 115.31 116.95 2i3r h LEU 1921Ca 0.03 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2i3r h LEU 1921Cb 1.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 2i3r h LEU 1921CO 0.10 0.71 0.23 1.56 0.09 0.00 0.00 178.44 181.13 2i3r h GLN 1922N 1.18 1.07 -0.39 1.13 4.20 -1.35 -2.87 115.11 118.08 2i3r h GLN 1922Ca 0.35 -0.21 0.04 0.00 0.06 0.00 0.00 58.65 58.89 2i3r h GLN 1922Cb -0.05 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.52 2i3r h GLN 1922CO -0.09 0.90 0.15 1.96 -0.67 0.00 0.00 178.83 181.08 2i3r h GLN 1923N 1.03 0.31 0.00 1.46 4.20 -0.58 -2.28 115.11 119.25 2i3r h GLN 1923Ca 0.23 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 2i3r h GLN 1923Cb 0.27 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 2i3r h GLN 1923CO -0.01 0.21 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.22 2i3r h LEU 1924N 0.32 0.00 0.00 1.46 3.38 -1.19 0.43 115.31 119.71 2i3r h LEU 1924Ca 0.17 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 2i3r h LEU 1924Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2i3r h LEU 1924CO -0.16 0.06 -0.92 0.44 0.09 0.00 0.00 178.44 177.94 2i3r h ASP 1925N 0.00 0.00 0.00 -0.43 3.32 -1.25 -3.37 116.42 114.69 2i3r h ASP 1925Ca -0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 2i3r h ASP 1925Cb 0.12 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 2i3r h ASP 1925CO 0.01 0.57 -2.11 -1.54 -1.72 0.00 0.00 179.24 174.45 2i3r n SER 1926N -3.09 0.54 -4.34 6.45 3.41 -0.86 -5.07 113.62 110.66 2i3r n SER 1926Ca -0.03 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.40 2i3r n SER 1926Cb 0.79 1.30 -0.10 0.00 -0.26 0.00 0.00 64.21 65.94 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 -2.78 1.31 0.00 4.33 1.02 0.14 -5.04 119.74 118.73 2i3r s LYS 1927Ca -0.08 -1.60 0.29 0.00 0.02 0.00 0.00 55.97 54.60 2i3r s LYS 1927Cb 0.08 -1.00 1.29 0.00 -0.52 0.00 0.00 37.83 37.68 2i3r s LYS 1927CO 0.77 0.13 1.89 -0.25 -0.92 0.00 0.00 175.35 176.96 2i3r n ASP 1928N -0.38 0.64 -3.49 2.83 9.92 -1.26 -4.67 116.55 120.14 2i3r n ASP 1928Ca -0.08 -0.89 -0.14 0.00 -0.53 0.00 0.00 54.79 53.15 2i3r n ASP 1928Cb 0.61 -0.03 -0.06 0.00 -0.64 0.00 0.00 41.12 41.00 2i3r n ASP 1928CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2i3r s SER 1929N -2.28 0.81 -0.01 -2.24 1.04 -1.26 -2.46 113.70 107.30 2i3r s SER 1929Ca 0.34 -1.44 -0.00 0.00 0.48 0.00 0.00 55.95 55.33 2i3r s SER 1929Cb 0.21 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.94 2i3r s SER 1929CO 0.43 -1.18 0.02 0.54 0.98 0.00 0.00 173.24 174.03 2i3r s VAL 1930N -3.39 -0.03 -0.60 5.02 0.11 -0.59 -4.54 120.40 116.38 2i3r s VAL 1930Ca 0.32 0.09 0.04 0.00 -2.93 0.00 0.00 61.98 59.51 2i3r s VAL 1930Cb 0.01 -0.05 0.16 0.00 -1.53 0.00 0.00 36.38 34.97 2i3r s VAL 1930CO 0.19 0.04 0.40 -0.62 -3.33 0.00 0.00 175.10 171.78 2i3r s ASP 1931N 0.47 4.16 0.05 3.54 2.15 -1.26 -1.27 116.67 124.51 2i3r s ASP 1931Ca -0.04 -3.46 -0.21 0.00 0.43 0.00 0.00 52.55 49.27 2i3r s ASP 1931Cb -0.06 -1.41 -0.13 0.00 -0.30 0.00 0.00 42.92 41.02 2i3r s ASP 1931CO -0.01 -0.14 1.43 0.40 -0.17 0.00 0.00 175.17 176.68 2i3r h ILE 1932N 4.72 1.29 -0.64 4.11 2.04 -1.99 -2.24 117.51 124.81 2i3r h ILE 1932Ca 0.10 -1.01 0.07 0.00 1.00 0.00 0.00 64.86 65.02 2i3r h ILE 1932Cb 0.82 1.65 -0.06 0.00 -0.74 0.00 0.00 36.82 38.49 2i3r h ILE 1932CO 0.64 0.30 0.33 0.22 0.00 0.00 0.00 178.15 179.64 2i3r h TYR 1933N -0.01 0.60 -0.57 1.37 3.20 -1.91 -1.80 116.97 117.85 2i3r h TYR 1933Ca 0.04 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 2i3r h TYR 1933Cb 0.47 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2i3r h TYR 1933CO 0.05 0.26 0.19 0.78 -1.64 0.00 0.00 178.16 177.81 2i3r h GLY 1934N 0.60 0.94 0.87 1.82 0.00 -1.72 0.80 103.07 106.38 2i3r h GLY 1934Ca 0.30 -0.54 0.02 0.00 0.00 0.00 0.00 47.33 47.10 2i3r h GLY 1934CO -0.21 0.51 0.09 0.00 0.00 0.00 0.00 176.54 176.93 2i3r h ALA 1935N 1.05 0.24 -0.47 3.60 0.00 -1.11 -0.63 119.26 121.95 2i3r h ALA 1935Ca 0.19 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2i3r h ALA 1935Cb 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2i3r h ALA 1935CO -0.01 -0.33 -0.08 0.28 0.00 0.00 0.00 179.25 179.11 2i3r h VAL 1936N 0.20 1.26 -0.31 0.00 2.07 -1.13 -0.69 116.25 117.65 2i3r h VAL 1936Ca 0.09 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.49 2i3r h VAL 1936Cb 0.04 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 2i3r h VAL 1936CO -0.08 0.40 0.09 -0.74 0.02 0.00 0.00 177.57 177.26 2i3r h HIS 1937N 0.76 0.15 -0.47 1.57 2.76 -0.63 -0.44 115.15 118.86 2i3r h HIS 1937Ca 0.13 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 2i3r h HIS 1937Cb 0.58 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.49 2i3r h HIS 1937CO 0.03 0.06 0.17 0.22 -1.30 0.00 0.00 177.93 177.11 2i3r h ASP 1938N 0.21 0.67 -0.47 3.26 3.58 -0.67 -1.81 116.42 121.20 2i3r h ASP 1938Ca 0.14 -0.18 0.07 0.00 0.42 0.00 0.00 57.03 57.47 2i3r h ASP 1938Cb 0.13 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 40.95 2i3r h ASP 1938CO -0.16 0.67 0.15 -0.07 -2.88 0.00 0.00 179.24 176.95 2i3r h LEU 1939N 0.63 0.12 -1.56 2.28 3.38 -0.91 -2.72 115.31 116.53 2i3r h LEU 1939Ca 0.16 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 2i3r h LEU 1939Cb 0.23 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2i3r h LEU 1939CO -0.01 0.10 -0.23 0.03 0.09 0.00 0.00 178.44 178.42 2i3r h ARG 1940N 0.31 0.00 0.00 1.13 2.47 -0.55 -1.44 114.38 116.30 2i3r h ARG 1940Ca 0.23 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.93 2i3r h ARG 1940Cb 0.26 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.57 2i3r h ARG 1940CO -0.25 0.23 -0.09 -0.07 0.56 0.00 0.00 179.97 180.35 2i3r h LEU 1941N 0.00 0.00 0.00 3.04 3.38 -1.02 -3.24 115.31 117.47 2i3r h LEU 1941Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2i3r h LEU 1941Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2i3r h LEU 1941CO 0.03 0.09 -1.94 1.41 0.09 0.00 0.00 178.44 178.12 2i3r n HIS 1942N -3.88 0.00 -3.61 1.13 8.25 -0.59 -4.83 115.22 111.68 2i3r n HIS 1942Ca -0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.29 2i3r n HIS 1942Cb 0.18 -0.47 -0.07 0.00 1.12 0.00 0.00 29.99 30.75 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 -3.42 0.86 0.48 -0.41 3.52 -0.92 -4.65 118.95 114.41 2i3r s ARG 1943Ca -0.08 0.71 -0.24 0.00 -0.13 0.00 0.00 55.73 55.99 2i3r s ARG 1943Cb 0.13 0.41 -0.07 0.00 -1.56 0.00 0.00 34.95 33.86 2i3r s ARG 1943CO 0.86 -0.16 1.39 0.54 -0.81 0.00 0.00 175.30 177.12 2i3r s VAL 1944N -0.14 2.12 -0.94 7.11 0.11 -1.26 -3.40 120.40 124.00 2i3r s VAL 1944Ca -0.04 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 2i3r s VAL 1944Cb -0.03 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.76 2i3r s VAL 1944CO 0.04 0.01 0.00 1.41 -3.33 0.00 0.00 175.10 173.23 2i3r n HIS 1945N -0.45 0.00 -2.00 1.54 8.25 -1.26 -4.82 115.22 116.48 2i3r n HIS 1945Ca 0.07 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.11 2i3r n HIS 1945Cb 0.43 -2.08 -0.03 0.00 1.12 0.00 0.00 29.99 29.43 2i3r n HIS 1945CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2i3r s MET 1946N -2.51 4.23 -0.28 -0.41 1.00 -1.22 -2.87 119.30 117.24 2i3r s MET 1946Ca 0.00 2.26 -0.03 0.00 0.00 0.00 0.00 55.69 57.92 2i3r s MET 1946Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 34.83 31.45 2i3r s MET 1946CO 0.00 -0.62 0.12 0.28 0.00 0.00 0.00 175.02 174.79 2i3r n VAL 1947N 4.33-10.19 0.49 -6.03 0.31 -0.76 -4.71 118.33 101.77 2i3r n VAL 1947Ca 0.14 1.36 0.12 0.00 -0.01 0.00 0.00 64.34 65.95 2i3r n VAL 1947Cb 0.40 -6.52 0.10 0.00 -0.91 0.00 0.00 33.84 26.91 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 0.37 0.34 -4.22 5.55 7.27 -1.14 -4.90 117.38 120.67 2i3r n GLN 1948Ca 0.02 0.06 -0.18 0.00 0.07 0.00 0.00 57.00 56.97 2i3r n GLN 1948Cb 0.09 -1.68 -0.11 0.00 2.41 0.00 0.00 30.24 30.95 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 -3.21 1.25 0.33 1.69 -4.23 -1.26 -5.03 115.64 105.17 2i3r s THR 1949Ca 0.04 -1.57 0.04 0.00 -1.18 0.00 0.00 61.69 59.02 2i3r s THR 1949Cb 0.13 -1.37 0.13 0.00 1.34 0.00 0.00 72.50 72.73 2i3r s THR 1949CO 0.76 -0.35 1.83 -0.08 -0.54 0.00 0.00 174.62 176.24 2i3r h GLU 1950N 3.79 0.47 -0.96 3.99 4.81 -1.99 -1.82 114.58 122.86 2i3r h GLU 1950Ca -0.40 -0.12 0.06 0.00 -0.13 0.00 0.00 59.36 58.77 2i3r h GLU 1950Cb 1.19 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.45 2i3r h GLU 1950CO 0.47 0.57 0.62 0.00 -0.73 0.00 0.00 179.01 179.95 2i3r h GLN 1952N 1.12 0.47 -0.36 0.00 4.20 -1.77 -0.95 115.11 117.83 2i3r h GLN 1952Ca 0.41 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 2i3r h GLN 1952Cb 0.17 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2i3r h GLN 1952CO -0.16 0.88 0.00 -0.92 -0.67 0.00 0.00 178.83 177.97 2i3r h TYR 1953N 0.36 0.68 -0.12 2.96 3.20 -0.61 -1.10 116.97 122.34 2i3r h TYR 1953Ca 0.01 -0.12 0.04 0.00 3.14 0.00 0.00 58.73 61.80 2i3r h TYR 1953Cb 1.05 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 2i3r h TYR 1953CO 0.04 0.73 -0.11 0.28 -1.64 0.00 0.00 178.16 177.45 2i3r h VAL 1954N 0.44 0.69 -0.76 1.81 2.07 -0.81 -2.85 116.25 116.84 2i3r h VAL 1954Ca 0.10 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.78 2i3r h VAL 1954Cb 0.45 0.69 -0.11 0.00 -1.52 0.00 0.00 31.29 30.80 2i3r h VAL 1954CO 0.02 0.00 0.24 0.22 0.02 0.00 0.00 177.57 178.07 2i3r h TYR 1955N -0.13 0.40 -0.65 1.57 3.20 -0.91 0.43 116.97 120.87 2i3r h TYR 1955Ca 0.08 0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.06 2i3r h TYR 1955Cb 0.25 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.41 2i3r h TYR 1955CO -0.23 -0.04 0.35 -0.07 -1.64 0.00 0.00 178.16 176.54 2i3r h LEU 1956N 0.34 0.51 -0.94 2.82 3.38 -1.03 0.10 115.31 120.49 2i3r h LEU 1956Ca 0.43 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.38 2i3r h LEU 1956Cb 0.73 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2i3r h LEU 1956CO -0.48 0.32 0.09 0.45 0.09 0.00 0.00 178.44 178.91 2i3r h HIS 1957N 0.64 0.90 -0.11 1.13 3.86 -0.99 -2.37 115.15 118.21 2i3r h HIS 1957Ca 0.30 -0.10 -0.13 0.00 -1.16 0.00 0.00 60.37 59.28 2i3r h HIS 1957Cb 0.21 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 2i3r h HIS 1957CO -0.09 0.78 -0.50 1.96 0.86 0.00 0.00 177.93 180.95 2i3r h GLN 1958N 0.82 0.29 -0.20 2.45 4.20 -0.28 -0.27 115.11 122.12 2i3r h GLN 1958Ca 0.17 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2i3r h GLN 1958Cb 0.37 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2i3r h GLN 1958CO 0.01 0.72 0.07 0.00 -0.67 0.00 0.00 178.83 178.96 2i3r h VAL 1960N 0.17 1.19 -0.49 0.00 2.07 -1.39 -1.22 116.25 116.58 2i3r h VAL 1960Ca 0.07 -0.60 0.10 0.00 0.82 0.00 0.00 66.70 67.09 2i3r h VAL 1960Cb 0.21 1.19 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 2i3r h VAL 1960CO -0.00 0.19 -0.04 -0.09 0.02 0.00 0.00 177.57 177.65 2i3r h ARG 1961N 0.17 0.07 -0.38 1.57 2.43 -0.96 -0.20 114.38 117.08 2i3r h ARG 1961Ca 0.07 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2i3r h ARG 1961Cb 0.23 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2i3r h ARG 1961CO -0.00 0.05 0.15 -0.44 -1.51 0.00 0.00 179.97 178.22 2i3r h ASP 1962N 0.07 0.53 -0.08 -3.80 3.32 -1.10 -0.50 116.42 114.87 2i3r h ASP 1962Ca 0.24 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2i3r h ASP 1962Cb 0.37 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 2i3r h ASP 1962CO -0.44 0.56 0.05 0.58 -1.72 0.00 0.00 179.24 178.27 2i3r h VAL 1963N 0.48 1.03 -0.54 -1.35 2.07 -0.88 -1.89 116.25 115.16 2i3r h VAL 1963Ca 0.13 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 2i3r h VAL 1963Cb 0.19 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2i3r h VAL 1963CO -0.01 0.02 0.33 -0.07 0.02 0.00 0.00 177.57 177.86 2i3r h LEU 1964N 0.10 0.64 -0.49 2.57 3.38 -0.96 -1.63 115.31 118.91 2i3r h LEU 1964Ca 0.03 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2i3r h LEU 1964Cb -0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2i3r h LEU 1964CO -0.01 0.49 0.25 0.03 0.09 0.00 0.00 178.44 179.29 2i3r h ARG 1965N 0.74 0.70 -0.51 1.13 3.08 -0.81 -0.95 114.38 117.77 2i3r h ARG 1965Ca 0.20 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 2i3r h ARG 1965Cb -0.04 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2i3r h ARG 1965CO -0.04 0.58 -0.03 0.00 -1.07 0.00 0.00 179.97 179.41 2i3r h ALA 1966N 1.09 0.98 0.68 0.04 0.00 -0.81 -2.48 119.26 118.76 2i3r h ALA 1966Ca 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2i3r h ALA 1966Cb 0.10 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.70 2i3r h ALA 1966CO -0.02 0.62 -0.33 0.00 0.00 0.00 0.00 179.25 179.52 2i3r h ARG 1967N 0.81 -0.88 -0.94 0.00 3.08 -1.16 -3.12 114.38 112.17 2i3r h ARG 1967Ca 0.15 0.06 0.27 0.00 0.07 0.00 0.00 59.98 60.53 2i3r h ARG 1967Cb 0.53 0.20 -0.17 0.00 0.08 0.00 0.00 29.97 30.61 2i3r h ARG 1967CO 0.03 -0.55 0.16 -0.22 -1.07 0.00 0.00 179.97 178.31 2i3r h LYS 1968N -1.07 0.08 0.00 0.04 3.64 -1.16 -3.52 116.57 114.57 2i3r h LYS 1968Ca -0.09 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2i3r h LYS 1968Cb 0.73 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2i3r h LYS 1968CO 0.15 0.05 0.00 1.28 -2.27 0.00 0.00 179.45 178.66