#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cdz s GLN 1692N 0.00 2.23 0.10 -1.08 -1.52 -1.26 -5.15 119.66 112.97 3cdz s GLN 1692Ca 0.00 -1.86 0.04 0.00 -1.95 0.00 0.00 55.36 51.59 3cdz s GLN 1692Cb 0.00 -1.98 -0.04 0.00 -0.22 0.00 0.00 33.01 30.77 3cdz s GLN 1692CO 0.00 -0.14 0.07 0.15 -0.25 0.00 0.00 175.29 175.12 3cdz s LYS 1693N -3.92 2.82 -0.03 2.91 1.02 -1.26 -5.06 119.74 116.22 3cdz s LYS 1693Ca 0.40 -0.76 0.05 0.00 0.02 0.00 0.00 55.97 55.68 3cdz s LYS 1693Cb 0.04 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 34.67 3cdz s LYS 1693CO 0.22 0.54 -0.17 0.21 -0.92 0.00 0.00 175.35 175.24 3cdz s LYS 1694N -2.52 1.55 -0.69 1.68 2.20 -1.26 -5.05 119.74 115.64 3cdz s LYS 1694Ca 0.29 -0.59 -0.17 0.00 -0.36 0.00 0.00 55.97 55.14 3cdz s LYS 1694Cb -0.12 -1.42 0.14 0.00 -1.51 0.00 0.00 37.83 34.93 3cdz s LYS 1694CO 0.22 0.30 0.75 -0.08 -0.36 0.00 0.00 175.35 176.17 3cdz s THR 1695N -0.16 5.09 -0.52 3.43 -1.32 -1.26 -1.82 115.64 119.08 3cdz s THR 1695Ca 0.01 -1.57 -0.15 0.00 -1.21 0.00 0.00 61.69 58.77 3cdz s THR 1695Cb -0.09 -4.50 0.11 0.00 -1.51 0.00 0.00 72.50 66.51 3cdz s THR 1695CO 0.01 -1.11 0.46 -0.13 -2.21 0.00 0.00 174.62 171.63 3cdz s ARG 1696N 1.81 2.94 0.61 7.08 0.52 -0.73 -5.00 118.95 126.19 3cdz s ARG 1696Ca 0.15 -1.62 -0.10 0.00 -0.52 0.00 0.00 55.73 53.63 3cdz s ARG 1696Cb -0.19 -4.22 -0.03 0.00 0.52 0.00 0.00 34.95 31.03 3cdz s ARG 1696CO -0.01 -1.24 1.00 -1.01 0.02 0.00 0.00 175.30 174.07 3cdz s HIS 1697N 1.59 3.59 -0.19 -0.53 3.76 -1.26 -3.05 115.29 119.20 3cdz s HIS 1697Ca 0.03 1.21 -0.04 0.00 -0.15 0.00 0.00 55.06 56.11 3cdz s HIS 1697Cb -0.28 -2.70 0.06 0.00 1.11 0.00 0.00 32.58 30.77 3cdz s HIS 1697CO 0.04 -0.68 0.06 0.71 -0.85 0.00 0.00 174.74 174.02 3cdz s TYR 1698N -3.14 0.73 -0.53 1.40 1.51 -0.47 -4.91 117.35 111.94 3cdz s TYR 1698Ca 0.54 -0.68 -0.26 0.00 -1.01 0.00 0.00 57.07 55.66 3cdz s TYR 1698Cb -0.11 -0.92 0.03 0.00 -0.11 0.00 0.00 41.96 40.86 3cdz s TYR 1698CO 0.53 -0.58 1.02 -0.06 -1.11 0.00 0.00 175.55 175.34 3cdz s PHE 1699N 1.96 2.78 0.05 2.71 0.40 -1.26 -3.46 117.98 121.16 3cdz s PHE 1699Ca 0.00 0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.63 3cdz s PHE 1699Cb -0.17 -4.20 -0.03 0.00 0.51 0.00 0.00 43.02 39.14 3cdz s PHE 1699CO -0.09 -1.34 -0.06 -1.50 0.70 0.00 0.00 175.22 172.93 3cdz s ILE 1700N 4.21 0.46 0.11 0.64 2.07 -1.15 -0.24 121.20 127.29 3cdz s ILE 1700Ca 0.37 -1.26 0.00 0.00 -1.41 0.00 0.00 60.65 58.36 3cdz s ILE 1700Cb -0.10 -0.81 -0.00 0.00 0.13 0.00 0.00 42.46 41.68 3cdz s ILE 1700CO 0.24 -0.54 0.13 0.00 -1.91 0.00 0.00 174.94 172.86 3cdz n ALA 1701N 1.11 0.00 -3.76 1.50 0.00 0.59 -3.07 120.51 116.88 3cdz n ALA 1701Ca -0.20 -0.54 -0.23 0.00 0.00 0.00 0.00 53.44 52.46 3cdz n ALA 1701Cb 0.56 0.44 -0.17 0.00 0.00 0.00 0.00 19.45 20.28 3cdz n ALA 1701CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cdz s ALA 1702N -2.11 0.78 0.01 0.00 0.00 -1.15 -0.47 121.76 118.83 3cdz s ALA 1702Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3cdz s ALA 1702Cb -0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 3cdz s ALA 1702CO 0.07 -0.36 0.01 0.28 0.00 0.00 0.00 175.76 175.76 3cdz n VAL 1703N 4.89 0.00 -3.78 0.00 0.31 0.16 -2.89 118.33 117.01 3cdz n VAL 1703Ca -0.12 -0.07 -0.09 0.00 -0.01 0.00 0.00 64.34 64.05 3cdz n VAL 1703Cb 0.50 0.03 -0.06 0.00 -0.91 0.00 0.00 33.84 33.40 3cdz n VAL 1703CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3cdz s GLU 1704N -2.04 0.91 0.00 5.55 8.01 -1.26 0.12 118.70 129.99 3cdz s GLU 1704Ca 0.01 -0.86 0.00 0.00 0.01 0.00 0.00 54.97 54.13 3cdz s GLU 1704Cb 0.00 0.38 0.00 0.00 -4.31 0.00 0.00 34.13 30.20 3cdz s GLU 1704CO 0.01 -0.31 0.00 2.89 0.01 0.00 0.00 175.26 177.86 3cdz n ARG 1705N -0.07 0.00 0.00 1.61 1.85 -1.25 -5.02 116.66 113.78 3cdz n ARG 1705Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 3cdz n ARG 1705Cb 0.63 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.04 3cdz n ARG 1705CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 3cdz n LEU 1706N -0.61 0.00 -3.93 2.89 7.94 -1.26 -4.32 117.00 117.71 3cdz n LEU 1706Ca 0.00 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.60 3cdz n LEU 1706Cb 0.00 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 43.79 3cdz n LEU 1706CO 0.00 0.00 -0.42 0.86 -1.11 0.00 0.00 177.39 176.72 3cdz s TRP 1707N 0.00 2.36 0.14 1.96 -0.00 -1.26 -5.03 118.94 117.11 3cdz s TRP 1707Ca 0.00 -1.73 0.03 0.00 -0.00 0.00 0.00 56.10 54.40 3cdz s TRP 1707Cb 0.00 -1.56 -0.04 0.00 -0.00 0.00 0.00 33.47 31.87 3cdz s TRP 1707CO 0.00 -0.77 0.22 -0.51 -0.00 0.00 0.00 176.95 175.89 3cdz s ASP 1708N 1.41 6.03 0.09 5.86 1.11 -1.26 -4.45 116.67 125.45 3cdz s ASP 1708Ca -0.06 0.07 0.00 0.00 0.18 0.00 0.00 52.55 52.75 3cdz s ASP 1708Cb -0.19 -1.74 0.00 0.00 1.07 0.00 0.00 42.92 42.06 3cdz s ASP 1708CO -0.06 0.08 0.00 0.00 1.18 0.00 0.00 175.17 176.37 3cdz n TYR 1709N -0.33 -0.03 0.00 4.23 9.36 -1.26 -4.90 117.16 124.23 3cdz n TYR 1709Ca -0.07 0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.15 3cdz n TYR 1709Cb 0.54 0.01 0.00 0.00 -0.63 0.00 0.00 39.34 39.26 3cdz n TYR 1709CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3cdz n GLY 1710N 3.47 0.00 1.41 2.98 0.00 -1.26 -4.84 105.19 106.95 3cdz n GLY 1710Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3cdz n GLY 1710CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3cdz n MET 1711N 0.00 0.00 0.00 1.61 0.00 -1.26 -5.07 117.12 112.40 3cdz n MET 1711Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3cdz n MET 1711Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 3cdz n MET 1711CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3cdz n SER 1712N -2.33 0.00 -2.02 6.12 3.41 -1.26 -5.27 113.62 112.26 3cdz n SER 1712Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3cdz n SER 1712Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 3cdz n SER 1712CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3cdz n SER 1713N -1.07 5.53 -3.49 4.04 3.41 -1.26 -5.29 113.62 115.49 3cdz n SER 1713Ca 0.00 -2.63 -0.11 0.00 -0.26 0.00 0.00 58.87 55.87 3cdz n SER 1713Cb 0.00 -1.33 -0.10 0.00 -0.26 0.00 0.00 64.21 62.52 3cdz n SER 1713CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3cdz s GLY 1725N 1.62 -0.30 0.00 5.00 0.00 -1.26 -5.15 107.32 107.24 3cdz s GLY 1725Ca 0.56 0.97 0.29 0.00 0.00 0.00 0.00 44.72 46.54 3cdz s GLY 1725CO -0.04 2.43 1.86 1.44 0.00 0.00 0.00 173.10 178.78 3cdz n SER 1726N 5.36 1.15 -3.43 1.64 7.64 -1.26 -5.00 113.62 119.72 3cdz n SER 1726Ca -0.05 -1.38 -0.40 0.00 1.01 0.00 0.00 58.87 58.04 3cdz n SER 1726Cb 0.50 -0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.66 3cdz n SER 1726CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3cdz n VAL 1727N -0.10 1.08 -3.40 0.44 0.24 -1.26 -4.95 118.33 110.38 3cdz n VAL 1727Ca 0.20 -0.27 -0.35 0.00 -2.04 0.00 0.00 64.34 61.89 3cdz n VAL 1727Cb 0.30 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.61 3cdz n VAL 1727CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3cdz s PRO 1728N -0.54 3.92 0.41 7.34 0.04 -1.26 -5.09 135.00 139.82 3cdz s PRO 1728Ca 0.56 0.41 -0.23 0.00 0.04 0.00 0.00 61.00 61.77 3cdz s PRO 1728Cb -0.80 -2.88 -0.09 0.00 0.04 0.00 0.00 34.50 30.77 3cdz s PRO 1728CO 0.44 0.46 1.03 -1.14 0.04 0.00 0.00 177.00 177.82 3cdz s GLN 1729N -2.13 4.16 0.07 4.56 0.74 -1.26 -4.89 119.66 120.91 3cdz s GLN 1729Ca 0.39 1.43 0.03 0.00 0.05 0.00 0.00 55.36 57.25 3cdz s GLN 1729Cb -0.14 -2.46 -0.03 0.00 1.10 0.00 0.00 33.01 31.48 3cdz s GLN 1729CO 0.19 -0.13 -0.09 -0.06 -0.55 0.00 0.00 175.29 174.66 3cdz s PHE 1730N -1.76 0.87 -0.32 1.67 0.08 -1.26 -5.03 117.98 112.23 3cdz s PHE 1730Ca 0.59 -0.64 0.16 0.00 0.12 0.00 0.00 56.93 57.16 3cdz s PHE 1730Cb -0.19 -0.50 0.47 0.00 -0.57 0.00 0.00 43.02 42.22 3cdz s PHE 1730CO 0.24 -0.07 1.05 1.17 -0.10 0.00 0.00 175.22 177.52 3cdz n LYS 1731N 0.85 1.99 -1.34 0.44 4.81 -1.26 -4.17 118.16 119.48 3cdz n LYS 1731Ca -0.18 -3.65 -0.29 0.00 -0.87 0.00 0.00 58.31 53.32 3cdz n LYS 1731Cb 0.57 -1.64 0.16 0.00 0.02 0.00 0.00 35.03 34.14 3cdz n LYS 1731CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3cdz s LYS 1732N -3.43 0.62 0.07 1.64 1.02 -1.26 -4.85 119.74 113.55 3cdz s LYS 1732Ca 0.33 0.35 -0.01 0.00 0.02 0.00 0.00 55.97 56.66 3cdz s LYS 1732Cb 0.41 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 35.90 3cdz s LYS 1732CO -0.02 -2.56 0.25 0.08 -0.92 0.00 0.00 175.35 172.17 3cdz s VAL 1733N -3.13 5.34 0.05 3.17 1.01 -0.96 -3.87 120.40 122.02 3cdz s VAL 1733Ca 0.65 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.36 3cdz s VAL 1733Cb -0.16 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 3cdz s VAL 1733CO 0.56 0.13 -0.04 0.68 0.00 0.00 0.00 175.10 176.42 3cdz s VAL 1734N -1.53 0.32 0.55 2.92 -7.23 0.32 -3.53 120.40 112.22 3cdz s VAL 1734Ca 0.36 -1.58 -0.17 0.00 -1.81 0.00 0.00 61.98 58.78 3cdz s VAL 1734Cb -0.13 -1.20 -0.06 0.00 0.56 0.00 0.00 36.38 35.55 3cdz s VAL 1734CO 0.27 -0.81 1.04 -0.36 -0.31 0.00 0.00 175.10 174.92 3cdz s PHE 1735N -3.10 3.08 -0.17 2.82 0.08 -1.25 0.36 117.98 119.80 3cdz s PHE 1735Ca 0.02 1.52 -0.11 0.00 0.12 0.00 0.00 56.93 58.48 3cdz s PHE 1735Cb 0.02 -2.98 0.05 0.00 -0.57 0.00 0.00 43.02 39.54 3cdz s PHE 1735CO -0.06 -0.88 0.41 -1.14 -0.10 0.00 0.00 175.22 173.45 3cdz s GLN 1736N -3.83 0.42 -0.05 0.44 2.00 0.38 -4.50 119.66 114.52 3cdz s GLN 1736Ca 0.64 0.73 -0.27 0.00 -2.00 0.00 0.00 55.36 54.46 3cdz s GLN 1736Cb -0.15 0.05 -0.03 0.00 0.80 0.00 0.00 33.01 33.68 3cdz s GLN 1736CO 0.31 -0.13 0.85 -2.00 -0.50 0.00 0.00 175.29 173.82 3cdz s GLU 1737N 1.08 4.48 0.04 1.67 2.12 -1.26 -0.30 118.70 126.53 3cdz s GLU 1737Ca -0.07 1.16 0.00 0.00 0.36 0.00 0.00 54.97 56.43 3cdz s GLU 1737Cb -0.07 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.86 3cdz s GLU 1737CO -0.09 -0.04 0.03 1.19 -0.54 0.00 0.00 175.26 175.82 3cdz n PHE 1738N 4.00 -1.85 -0.10 5.30 3.72 0.66 -4.19 117.46 125.00 3cdz n PHE 1738Ca 0.03 -0.15 -0.12 0.00 -0.05 0.00 0.00 57.45 57.17 3cdz n PHE 1738Cb 0.51 -0.03 -0.14 0.00 -0.94 0.00 0.00 39.48 38.88 3cdz n PHE 1738CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 3cdz n THR 1739N -0.72 1.31 -2.41 4.37 5.66 -1.11 -4.63 114.28 116.74 3cdz n THR 1739Ca 0.00 -0.70 0.00 0.00 -3.05 0.00 0.00 64.05 60.30 3cdz n THR 1739Cb 0.04 -0.78 0.00 0.00 -1.55 0.00 0.00 70.33 68.04 3cdz n THR 1739CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3cdz n ASP 1740N -2.86 0.00 0.17 1.09 5.68 -1.26 -4.95 116.55 114.42 3cdz n ASP 1740Ca -0.34 -0.31 0.03 0.00 -0.50 0.00 0.00 54.79 53.66 3cdz n ASP 1740Cb 1.06 0.00 0.38 0.00 -1.14 0.00 0.00 41.12 41.41 3cdz n ASP 1740CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3cdz h GLY 1741N 0.00 0.07 -0.94 6.12 0.00 -1.97 -2.96 103.07 103.39 3cdz h GLY 1741Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3cdz h GLY 1741CO 0.00 0.05 0.00 -1.26 0.00 0.00 0.00 176.54 175.33 3cdz n SER 1742N -4.17 0.66 -2.27 0.19 2.88 -1.26 -4.89 113.62 104.77 3cdz n SER 1742Ca -0.02 -1.39 0.00 0.00 -1.33 0.00 0.00 58.87 56.13 3cdz n SER 1742Cb 0.36 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 3cdz n SER 1742CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3cdz n PHE 1743N 0.11 0.00 0.00 0.66 3.72 -1.12 -4.78 117.46 116.06 3cdz n PHE 1743Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3cdz n PHE 1743Cb 0.16 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.70 3cdz n PHE 1743CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3cdz n THR 1744N -0.51 0.17 -1.68 4.37 -2.24 -1.26 -5.03 114.28 108.09 3cdz n THR 1744Ca 0.00 0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.48 3cdz n THR 1744Cb 0.00 -1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 67.03 3cdz n THR 1744CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cdz n GLN 1745N -2.65 2.84 0.11 -0.78 1.13 -1.26 -4.83 117.38 111.93 3cdz n GLN 1745Ca -0.00 1.04 0.11 0.00 -1.94 0.00 0.00 57.00 56.21 3cdz n GLN 1745Cb 0.01 -2.95 0.46 0.00 0.11 0.00 0.00 30.24 27.87 3cdz n GLN 1745CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3cdz n PRO 1746N 6.28 0.17 -2.74 -1.09 -0.04 -1.26 -2.77 135.00 133.55 3cdz n PRO 1746Ca 0.19 0.38 -0.09 0.00 -0.04 0.00 0.00 63.50 63.93 3cdz n PRO 1746Cb 0.39 -1.81 0.05 0.00 -0.04 0.00 0.00 33.50 32.08 3cdz n PRO 1746CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3cdz n LEU 1747N -2.13 -3.22 0.00 1.53 -0.00 -1.26 -4.57 117.00 107.36 3cdz n LEU 1747Ca 0.03 -0.34 0.00 0.00 -0.00 0.00 0.00 56.01 55.69 3cdz n LEU 1747Cb 0.24 -1.94 0.00 0.00 -0.00 0.00 0.00 43.42 41.71 3cdz n LEU 1747CO 0.20 0.19 0.00 -1.22 -0.00 0.00 0.00 177.39 176.56 3cdz n TYR 1748N -2.68 0.00 -2.06 1.96 4.02 -1.26 -4.74 117.16 112.39 3cdz n TYR 1748Ca -0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.32 3cdz n TYR 1748Cb 0.59 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.88 3cdz n TYR 1748CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3cdz s ARG 1749N 0.00 3.53 0.49 -0.72 1.81 -1.26 -4.97 118.95 117.83 3cdz s ARG 1749Ca 0.00 1.48 -0.21 0.00 -1.72 0.00 0.00 55.73 55.28 3cdz s ARG 1749Cb 0.00 -4.13 -0.07 0.00 -0.45 0.00 0.00 34.95 30.30 3cdz s ARG 1749CO 0.00 -1.62 1.10 0.20 -0.68 0.00 0.00 175.30 174.30 3cdz s GLY 1750N 5.23 2.65 0.60 -3.53 0.00 -1.26 -4.78 107.32 106.23 3cdz s GLY 1750Ca 0.76 0.78 0.29 0.00 0.00 0.00 0.00 44.72 46.54 3cdz s GLY 1750CO 0.32 1.16 1.42 0.83 0.00 0.00 0.00 173.10 176.83 3cdz h GLU 1751N 1.68 0.00 0.00 2.90 3.07 -1.94 0.46 114.58 120.75 3cdz h GLU 1751Ca -0.49 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.24 3cdz h GLU 1751Cb 1.24 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.13 3cdz h GLU 1751CO 0.59 0.00 -0.58 1.37 -1.40 0.00 0.00 179.01 178.99 3cdz h LEU 1752N 0.00 0.00 -5.97 1.33 -0.00 -1.90 -3.38 115.31 105.39 3cdz h LEU 1752Ca 0.48 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.83 3cdz h LEU 1752Cb 2.70 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 42.96 3cdz h LEU 1752CO -0.01 0.58 -1.08 -0.46 -0.00 0.00 0.00 178.44 177.47 3cdz n ASN 1753N -3.25 0.97 -0.00 0.17 0.23 0.16 -4.84 115.26 108.70 3cdz n ASN 1753Ca 0.02 -2.94 0.05 0.00 -0.53 0.00 0.00 54.58 51.18 3cdz n ASN 1753Cb 0.77 -0.63 -0.07 0.00 -2.08 0.00 0.00 39.78 37.77 3cdz n ASN 1753CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3cdz n GLU 1754N 0.79 2.48 -0.34 -3.83 0.28 -1.16 -4.19 120.64 114.67 3cdz n GLU 1754Ca 0.24 -0.03 0.12 0.00 -0.16 0.00 0.00 57.16 57.33 3cdz n GLU 1754Cb 0.57 -1.09 0.32 0.00 1.43 0.00 0.00 31.44 32.67 3cdz n GLU 1754CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 177.13 178.09 3cdz h HIS 1755N 0.00 1.03 -0.60 -1.84 2.07 -1.89 -2.03 115.15 111.90 3cdz h HIS 1755Ca 0.00 0.03 0.12 0.00 -2.85 0.00 0.00 60.37 57.67 3cdz h HIS 1755Cb 0.33 -0.32 -0.09 0.00 2.57 0.00 0.00 27.41 29.90 3cdz h HIS 1755CO 0.00 0.29 0.08 1.25 -3.07 0.00 0.00 177.93 176.48 3cdz h LEU 1756N 0.79 -0.10 0.00 6.12 5.85 -1.89 -3.43 115.31 122.66 3cdz h LEU 1756Ca 0.54 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.39 3cdz h LEU 1756Cb 0.81 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3cdz h LEU 1756CO -0.32 -0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.35 3cdz n GLY 1757N -1.33 0.24 1.46 3.75 0.00 -0.76 -2.41 105.19 106.14 3cdz n GLY 1757Ca 0.09 0.54 0.11 0.00 0.00 0.00 0.00 46.02 46.76 3cdz n GLY 1757CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cdz n LEU 1758N 0.00 4.28 0.00 0.99 7.99 -1.26 -4.93 117.00 124.07 3cdz n LEU 1758Ca 0.00 -2.15 0.00 0.00 -0.01 0.00 0.00 56.01 53.85 3cdz n LEU 1758Cb 0.00 -0.53 0.00 0.00 -0.11 0.00 0.00 43.42 42.78 3cdz n LEU 1758CO 0.00 0.91 0.00 0.00 -1.51 0.00 0.00 177.39 176.79 3cdz n LEU 1759N 1.45 0.00 -4.93 2.23 -0.00 -1.01 -4.87 117.00 109.86 3cdz n LEU 1759Ca 0.25 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 56.01 3cdz n LEU 1759Cb 0.73 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 44.22 3cdz n LEU 1759CO 0.20 0.00 0.61 -0.83 -0.00 0.00 0.00 177.39 177.37 3cdz s GLY 1760N -0.96 1.70 0.68 1.47 0.00 -1.02 -4.79 107.32 104.39 3cdz s GLY 1760Ca 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 44.72 43.65 3cdz s GLY 1760CO 0.00 -0.55 1.06 2.56 0.00 0.00 0.00 173.10 176.17 3cdz s PRO 1761N -5.24 3.05 0.08 2.90 0.04 -1.26 -4.54 135.00 130.04 3cdz s PRO 1761Ca 0.60 0.75 -0.31 0.00 0.04 0.00 0.00 61.00 62.08 3cdz s PRO 1761Cb -0.11 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 3cdz s PRO 1761CO 0.45 -0.96 1.34 0.71 0.04 0.00 0.00 177.00 178.58 3cdz s TYR 1762N -3.17 3.23 -0.16 0.56 2.02 -1.26 -4.38 117.35 114.20 3cdz s TYR 1762Ca 0.57 1.02 -0.01 0.00 -0.37 0.00 0.00 57.07 58.28 3cdz s TYR 1762Cb -0.12 -3.62 -0.01 0.00 -0.40 0.00 0.00 41.96 37.81 3cdz s TYR 1762CO 0.54 -2.12 -0.11 0.42 -1.57 0.00 0.00 175.55 172.70 3cdz s ILE 1763N 1.29 3.05 -0.01 2.71 1.01 -1.12 -5.05 121.20 123.09 3cdz s ILE 1763Ca 0.63 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.66 3cdz s ILE 1763Cb -0.34 -2.31 -0.00 0.00 0.01 0.00 0.00 42.46 39.81 3cdz s ILE 1763CO 0.29 0.50 -0.05 -0.13 0.00 0.00 0.00 174.94 175.55 3cdz s ARG 1764N 0.70 0.45 0.05 2.79 0.52 -1.26 0.04 118.95 122.23 3cdz s ARG 1764Ca -0.06 -0.19 -0.18 0.00 -0.52 0.00 0.00 55.73 54.79 3cdz s ARG 1764Cb -0.15 -0.44 0.03 0.00 0.52 0.00 0.00 34.95 34.92 3cdz s ARG 1764CO 0.02 0.11 0.40 0.00 0.02 0.00 0.00 175.30 175.86 3cdz s ALA 1765N -0.10 -0.98 0.62 2.13 0.00 -0.16 -4.98 121.76 118.30 3cdz s ALA 1765Ca 0.02 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 3cdz s ALA 1765Cb -0.02 0.36 0.07 0.00 0.00 0.00 0.00 23.12 23.53 3cdz s ALA 1765CO -0.00 -0.46 0.47 0.39 0.00 0.00 0.00 175.76 176.15 3cdz n GLU 1766N 0.47 0.14 0.00 0.00 1.02 -1.26 0.15 120.64 121.16 3cdz n GLU 1766Ca -0.18 -1.14 0.00 0.00 -0.02 0.00 0.00 57.16 55.81 3cdz n GLU 1766Cb 0.60 -0.35 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 3cdz n GLU 1766CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3cdz n VAL 1767N -2.17 0.00 -1.34 2.62 0.31 -0.41 -3.88 118.33 113.45 3cdz n VAL 1767Ca 0.07 0.86 -0.38 0.00 -0.01 0.00 0.00 64.34 64.88 3cdz n VAL 1767Cb 0.26 -1.69 -0.02 0.00 -0.91 0.00 0.00 33.84 31.47 3cdz n VAL 1767CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3cdz n GLU 1768N -0.66 3.29 -2.41 5.55 4.07 -1.26 -4.59 120.64 124.63 3cdz n GLU 1768Ca 0.00 -2.21 -0.08 0.00 -0.06 0.00 0.00 57.16 54.81 3cdz n GLU 1768Cb 0.00 -2.88 -0.01 0.00 -0.06 0.00 0.00 31.44 28.49 3cdz n GLU 1768CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3cdz n ASP 1769N 4.33 1.92 -3.85 4.31 9.92 -1.25 -4.66 116.55 127.27 3cdz n ASP 1769Ca 0.69 -1.54 -0.22 0.00 -0.53 0.00 0.00 54.79 53.18 3cdz n ASP 1769Cb 0.26 0.04 -0.17 0.00 -0.64 0.00 0.00 41.12 40.62 3cdz n ASP 1769CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3cdz s ASN 1770N -1.79 1.40 -0.07 -2.24 0.01 -0.75 -3.21 114.94 108.28 3cdz s ASN 1770Ca 0.04 -0.14 0.02 0.00 -0.71 0.00 0.00 52.86 52.07 3cdz s ASN 1770Cb -0.00 -0.51 -0.02 0.00 0.41 0.00 0.00 41.25 41.12 3cdz s ASN 1770CO 0.03 -0.11 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.75 3cdz s ILE 1771N 1.42 3.20 -0.00 0.60 1.01 -1.17 -1.77 121.20 124.49 3cdz s ILE 1771Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.97 3cdz s ILE 1771Cb -0.13 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.05 3cdz s ILE 1771CO -0.03 0.57 -0.00 -0.32 0.00 0.00 0.00 174.94 175.16 3cdz s MET 1772N -0.47 0.05 -0.17 2.79 1.75 -1.17 -2.10 119.30 119.98 3cdz s MET 1772Ca 0.06 -0.00 -0.02 0.00 -1.25 0.00 0.00 55.69 54.48 3cdz s MET 1772Cb -0.12 -0.07 0.05 0.00 2.84 0.00 0.00 34.83 37.53 3cdz s MET 1772CO 0.02 -0.00 -0.00 0.08 -0.65 0.00 0.00 175.02 174.46 3cdz s VAL 1773N 0.09 0.75 -0.40 10.11 1.01 0.24 -1.37 120.40 130.83 3cdz s VAL 1773Ca -0.01 -0.51 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 3cdz s VAL 1773Cb -0.01 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.31 3cdz s VAL 1773CO -0.00 -0.01 0.27 -0.89 0.00 0.00 0.00 175.10 174.47 3cdz s THR 1774N 1.77 5.05 -0.09 3.92 2.01 -1.22 -1.16 115.64 125.91 3cdz s THR 1774Ca 0.00 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.31 3cdz s THR 1774Cb -0.16 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 3cdz s THR 1774CO -0.07 -0.29 -0.19 0.12 -0.69 0.00 0.00 174.62 173.50 3cdz s PHE 1775N 1.64 2.64 -0.07 4.92 5.99 -1.20 -2.94 117.98 128.95 3cdz s PHE 1775Ca 0.04 -0.71 0.05 0.00 0.00 0.00 0.00 56.93 56.31 3cdz s PHE 1775Cb -0.19 -1.72 -0.00 0.00 0.00 0.00 0.00 43.02 41.11 3cdz s PHE 1775CO 0.09 -0.22 -0.22 1.03 -0.00 0.00 0.00 175.22 175.90 3cdz s ARG 1776N 0.08 2.55 -0.03 10.12 0.52 -1.17 -2.23 118.95 128.80 3cdz s ARG 1776Ca -0.09 -0.80 -0.18 0.00 -0.52 0.00 0.00 55.73 54.15 3cdz s ARG 1776Cb -0.15 -2.04 -0.05 0.00 0.52 0.00 0.00 34.95 33.22 3cdz s ARG 1776CO 0.05 0.24 0.50 1.21 0.02 0.00 0.00 175.30 177.33 3cdz s ASN 1777N 0.17 6.85 -0.36 0.23 2.47 -1.24 -2.92 114.94 120.14 3cdz s ASN 1777Ca -0.11 1.02 -0.00 0.00 0.42 0.00 0.00 52.86 54.18 3cdz s ASN 1777Cb -0.15 -2.31 0.12 0.00 -1.45 0.00 0.00 41.25 37.46 3cdz s ASN 1777CO 0.06 0.16 0.17 -1.10 -3.72 0.00 0.00 177.10 172.67 3cdz s GLN 1778N -0.32 0.75 -0.01 0.43 -0.21 -1.14 0.32 119.66 119.49 3cdz s GLN 1778Ca 0.27 -1.33 -0.10 0.00 0.02 0.00 0.00 55.36 54.22 3cdz s GLN 1778Cb -0.17 -1.78 0.03 0.00 1.00 0.00 0.00 33.01 32.10 3cdz s GLN 1778CO 0.14 -1.10 0.46 0.00 -2.12 0.00 0.00 175.29 172.67 3cdz n ALA 1779N 4.32 -1.30 -1.00 6.09 0.00 -1.26 -4.41 120.51 122.95 3cdz n ALA 1779Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3cdz n ALA 1779Cb 0.38 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3cdz n ALA 1779CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3cdz n SER 1780N -0.50 0.00 -4.62 0.00 7.64 -1.26 -4.77 113.62 110.11 3cdz n SER 1780Ca 0.02 0.00 -0.53 0.00 1.01 0.00 0.00 58.87 59.36 3cdz n SER 1780Cb 0.21 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.34 3cdz n SER 1780CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3cdz n ARG 1781N 0.00 1.37 -1.73 1.43 0.63 -1.26 -4.75 116.66 112.35 3cdz n ARG 1781Ca 0.00 0.47 -0.42 0.00 -0.92 0.00 0.00 57.85 56.98 3cdz n ARG 1781Cb 0.00 -2.34 -0.01 0.00 0.45 0.00 0.00 32.46 30.56 3cdz n ARG 1781CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3cdz n PRO 1782N 6.58 2.49 -1.58 -0.14 -0.02 -1.26 -4.97 135.00 136.10 3cdz n PRO 1782Ca 0.30 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.66 3cdz n PRO 1782Cb 0.20 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 3cdz n PRO 1782CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3cdz n TYR 1783N 1.34 0.00 -3.44 6.00 4.01 -1.15 -4.87 117.16 119.05 3cdz n TYR 1783Ca 0.06 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.69 3cdz n TYR 1783Cb 0.36 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.37 3cdz n TYR 1783CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3cdz s SER 1784N -0.58 -0.53 0.19 7.72 0.15 -1.26 -2.15 113.70 117.23 3cdz s SER 1784Ca 0.00 -0.02 -0.23 0.00 0.70 0.00 0.00 55.95 56.41 3cdz s SER 1784Cb 0.00 0.57 -0.08 0.00 -1.71 0.00 0.00 66.02 64.80 3cdz s SER 1784CO 0.00 -0.93 0.75 0.72 1.20 0.00 0.00 173.24 174.98 3cdz s PHE 1785N -3.67 3.79 -0.28 3.44 -0.71 -1.26 -3.30 117.98 115.98 3cdz s PHE 1785Ca 0.02 1.52 -0.19 0.00 -1.04 0.00 0.00 56.93 57.24 3cdz s PHE 1785Cb -0.01 -2.70 0.12 0.00 -1.21 0.00 0.00 43.02 39.22 3cdz s PHE 1785CO -0.12 0.43 0.90 -0.47 -1.34 0.00 0.00 175.22 174.63 3cdz s TYR 1786N -1.32 -0.68 0.00 3.49 6.14 -0.72 -4.77 117.35 119.50 3cdz s TYR 1786Ca 0.39 1.45 0.00 0.00 0.64 0.00 0.00 57.07 59.54 3cdz s TYR 1786Cb -0.20 0.41 0.00 0.00 0.42 0.00 0.00 41.96 42.59 3cdz s TYR 1786CO 0.23 -0.34 0.00 -1.13 0.64 0.00 0.00 175.55 174.96 3cdz n SER 1787N 3.39 0.00 0.00 4.32 3.41 -1.26 -0.54 113.62 122.93 3cdz n SER 1787Ca -0.17 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.12 3cdz n SER 1787Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3cdz n SER 1787CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3cdz n SER 1788N -0.90 0.00 -4.56 4.04 7.64 -1.26 -4.23 113.62 114.35 3cdz n SER 1788Ca 0.00 0.26 -0.20 0.00 1.01 0.00 0.00 58.87 59.94 3cdz n SER 1788Cb 0.00 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.08 3cdz n SER 1788CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3cdz s LEU 1789N -1.34 3.01 -0.32 -3.43 1.43 -1.26 -4.52 118.68 112.25 3cdz s LEU 1789Ca 0.00 -0.02 0.10 0.00 -1.03 0.00 0.00 54.13 53.18 3cdz s LEU 1789Cb 0.00 -2.55 0.46 0.00 0.03 0.00 0.00 46.19 44.13 3cdz s LEU 1789CO 0.00 -3.45 1.15 0.00 0.23 0.00 0.00 176.35 174.28 3cdz n ILE 1790N 8.43 2.19 -1.31 -0.59 3.06 -1.26 -5.04 119.36 124.84 3cdz n ILE 1790Ca 0.43 -4.06 -0.12 0.00 -2.50 0.00 0.00 62.75 56.50 3cdz n ILE 1790Cb 0.46 -0.63 -0.12 0.00 0.54 0.00 0.00 39.64 39.89 3cdz n ILE 1790CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 3cdz n SER 1791N -0.61 -1.21 -3.48 9.51 7.64 -1.26 -4.90 113.62 119.31 3cdz n SER 1791Ca 0.35 -1.12 -0.29 0.00 1.01 0.00 0.00 58.87 58.81 3cdz n SER 1791Cb 0.87 -0.74 0.25 0.00 -1.01 0.00 0.00 64.21 63.58 3cdz n SER 1791CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3cdz n TYR 1792N 7.31 -3.86 -4.09 1.43 0.53 -1.26 -4.86 117.16 112.35 3cdz n TYR 1792Ca 0.37 -0.94 -0.15 0.00 -1.02 0.00 0.00 57.90 56.16 3cdz n TYR 1792Cb 0.34 -1.12 -0.14 0.00 -1.03 0.00 0.00 39.34 37.38 3cdz n TYR 1792CO 0.00 0.00 0.00 -2.00 -1.02 0.00 0.00 176.86 173.84 3cdz s GLU 1793N -5.36 0.33 7.81 -0.72 2.56 -1.26 -5.11 118.70 116.94 3cdz s GLU 1793Ca 0.68 -0.16 0.00 0.00 0.00 0.00 0.00 54.97 55.50 3cdz s GLU 1793Cb -0.07 -0.31 0.00 0.00 2.00 0.00 0.00 34.13 35.74 3cdz s GLU 1793CO 0.53 0.09 0.00 0.39 -0.56 0.00 0.00 175.26 175.71 3cdz n GLU 1794N 2.95 0.00 -2.53 4.30 1.02 -1.26 -4.93 120.64 120.18 3cdz n GLU 1794Ca -0.13 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 56.96 3cdz n GLU 1794Cb 0.59 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 32.02 3cdz n GLU 1794CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3cdz n ASP 1795N 5.38 -1.27 -3.44 1.62 5.75 -1.26 -5.21 116.55 118.12 3cdz n ASP 1795Ca 0.00 -1.87 -0.12 0.00 -0.01 0.00 0.00 54.79 52.79 3cdz n ASP 1795Cb 0.00 2.11 -0.02 0.00 -1.03 0.00 0.00 41.12 42.18 3cdz n ASP 1795CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3cdz s GLN 1796N -2.05 1.25 -0.77 0.11 2.00 -1.26 -5.08 119.66 113.87 3cdz s GLN 1796Ca 0.09 -0.47 -0.26 0.00 -2.00 0.00 0.00 55.36 52.72 3cdz s GLN 1796Cb -0.03 0.58 -0.09 0.00 0.80 0.00 0.00 33.01 34.27 3cdz s GLN 1796CO 0.07 -0.54 2.20 0.50 -0.50 0.00 0.00 175.29 177.01 3cdz s ARG 1797N -3.68 2.09 0.39 1.67 6.06 -1.26 -4.86 118.95 119.35 3cdz s ARG 1797Ca 0.01 0.37 0.06 0.00 -2.50 0.00 0.00 55.73 53.66 3cdz s ARG 1797Cb -0.01 -4.81 -0.02 0.00 0.06 0.00 0.00 34.95 30.17 3cdz s ARG 1797CO -0.12 -3.75 0.21 -1.14 -2.50 0.00 0.00 175.30 167.99 3cdz s GLN 1798N 7.99 1.90 -0.64 5.12 2.00 -1.26 -5.11 119.66 129.65 3cdz s GLN 1798Ca 0.83 -2.15 0.06 0.00 -2.00 0.00 0.00 55.36 52.10 3cdz s GLN 1798Cb -0.11 -0.17 0.24 0.00 0.80 0.00 0.00 33.01 33.77 3cdz s GLN 1798CO 0.09 -0.59 0.71 0.41 -0.50 0.00 0.00 175.29 175.41 3cdz n GLY 1799N -0.82 4.69 2.03 2.59 0.00 -1.26 -4.77 105.19 107.65 3cdz n GLY 1799Ca -0.00 -2.73 -0.01 0.00 0.00 0.00 0.00 46.02 43.27 3cdz n GLY 1799CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cdz n ALA 1800N 1.00 -0.02 -2.54 4.61 0.00 -1.26 -4.58 120.51 117.72 3cdz n ALA 1800Ca 0.29 0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.70 3cdz n ALA 1800Cb 0.40 -0.58 0.02 0.00 0.00 0.00 0.00 19.45 19.29 3cdz n ALA 1800CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3cdz n GLU 1801N -2.43 -1.06 -1.54 0.00 4.07 -1.26 -4.92 120.64 113.49 3cdz n GLU 1801Ca -0.01 0.92 -0.16 0.00 -0.06 0.00 0.00 57.16 57.85 3cdz n GLU 1801Cb 0.17 -4.24 -0.11 0.00 -0.06 0.00 0.00 31.44 27.20 3cdz n GLU 1801CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3cdz n PRO 1802N -1.91 0.44 -1.03 5.31 -0.02 -1.26 -4.71 135.00 131.82 3cdz n PRO 1802Ca -0.02 -0.62 -0.08 0.00 -2.02 0.00 0.00 63.50 60.77 3cdz n PRO 1802Cb 0.53 -3.04 0.29 0.00 -0.02 0.00 0.00 33.50 31.26 3cdz n PRO 1802CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3cdz n ARG 1803N 8.05 3.59 -2.52 -0.52 0.63 -1.26 -4.99 116.66 119.64 3cdz n ARG 1803Ca 0.52 -3.01 -0.43 0.00 -0.92 0.00 0.00 57.85 54.01 3cdz n ARG 1803Cb 0.36 -2.20 -0.02 0.00 0.45 0.00 0.00 32.46 31.04 3cdz n ARG 1803CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3cdz s LYS 1804N -2.96 4.31 -0.43 -0.14 -0.14 -1.26 -5.00 119.74 114.12 3cdz s LYS 1804Ca 0.54 1.57 -0.19 0.00 -1.36 0.00 0.00 55.97 56.53 3cdz s LYS 1804Cb 0.44 -3.63 0.02 0.00 -1.68 0.00 0.00 37.83 32.98 3cdz s LYS 1804CO 0.13 -0.53 0.56 1.21 -0.76 0.00 0.00 175.35 175.96 3cdz s ASN 1805N 1.52 6.28 -0.10 2.83 2.47 -1.26 -5.03 114.94 121.64 3cdz s ASN 1805Ca 0.52 -0.45 -0.02 0.00 0.42 0.00 0.00 52.86 53.34 3cdz s ASN 1805Cb -0.21 -2.28 0.04 0.00 -1.45 0.00 0.00 41.25 37.34 3cdz s ASN 1805CO 0.17 -0.69 0.02 0.12 -3.72 0.00 0.00 177.10 172.99 3cdz s PHE 1806N 2.55 0.68 -0.46 0.43 2.19 -1.26 -4.73 117.98 117.38 3cdz s PHE 1806Ca 0.19 -0.30 -0.01 0.00 0.33 0.00 0.00 56.93 57.13 3cdz s PHE 1806Cb -0.15 -0.83 0.12 0.00 -1.31 0.00 0.00 43.02 40.85 3cdz s PHE 1806CO 0.17 -0.39 0.24 0.08 1.83 0.00 0.00 175.22 177.15 3cdz s VAL 1807N 1.97 3.18 0.46 3.12 1.01 -0.91 -5.01 120.40 124.21 3cdz s VAL 1807Ca 0.04 -2.42 -0.23 0.00 0.00 0.00 0.00 61.98 59.36 3cdz s VAL 1807Cb -0.13 -3.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.00 3cdz s VAL 1807CO -0.06 -0.73 1.15 -0.54 0.00 0.00 0.00 175.10 174.92 3cdz s LYS 1808N 0.70 3.77 0.35 2.72 1.02 -1.26 -2.94 119.74 124.10 3cdz s LYS 1808Ca 0.11 1.73 -0.26 0.00 0.02 0.00 0.00 55.97 57.58 3cdz s LYS 1808Cb -0.22 -2.39 -0.13 0.00 -0.52 0.00 0.00 37.83 34.58 3cdz s LYS 1808CO -0.04 -0.53 0.90 -2.30 -0.92 0.00 0.00 175.35 172.46 3cdz n PRO 1809N -0.51 1.15 0.00 -1.68 -0.02 -1.26 -1.65 135.00 131.02 3cdz n PRO 1809Ca 0.07 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3cdz n PRO 1809Cb 0.48 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3cdz n PRO 1809CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3cdz n ASN 1810N 1.04 0.00 -4.85 2.55 3.02 0.15 -4.96 115.26 112.21 3cdz n ASN 1810Ca 0.10 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.34 3cdz n ASN 1810Cb 0.35 -0.91 0.03 0.00 -0.61 0.00 0.00 39.78 38.64 3cdz n ASN 1810CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3cdz s GLU 1811N 0.00 3.23 -0.27 3.52 -1.05 -0.66 -4.87 118.70 118.60 3cdz s GLU 1811Ca 0.00 0.80 0.02 0.00 -0.15 0.00 0.00 54.97 55.63 3cdz s GLU 1811Cb 0.00 -2.04 0.06 0.00 -0.44 0.00 0.00 34.13 31.71 3cdz s GLU 1811CO 0.00 -0.85 -0.09 0.99 0.95 0.00 0.00 175.26 176.26 3cdz s THR 1812N -3.14 2.36 -0.36 1.83 2.01 -1.26 -3.69 115.64 113.38 3cdz s THR 1812Ca 0.57 -1.55 -0.09 0.00 0.31 0.00 0.00 61.69 60.92 3cdz s THR 1812Cb -0.12 -2.36 0.03 0.00 0.01 0.00 0.00 72.50 70.05 3cdz s THR 1812CO 0.54 -0.02 0.17 -0.54 -0.69 0.00 0.00 174.62 174.08 3cdz s LYS 1813N 1.14 2.79 -0.26 4.92 1.02 -0.94 -4.95 119.74 123.46 3cdz s LYS 1813Ca -0.08 -1.09 -0.08 0.00 0.02 0.00 0.00 55.97 54.75 3cdz s LYS 1813Cb -0.20 -3.64 -0.03 0.00 -0.52 0.00 0.00 37.83 33.45 3cdz s LYS 1813CO -0.04 -0.67 0.09 -0.08 -0.92 0.00 0.00 175.35 173.72 3cdz s THR 1814N 1.51 4.42 0.04 2.17 -1.32 -1.26 -3.26 115.64 117.94 3cdz s THR 1814Ca 0.01 -0.19 0.04 0.00 -1.21 0.00 0.00 61.69 60.34 3cdz s THR 1814Cb -0.19 -3.10 -0.02 0.00 -1.51 0.00 0.00 72.50 67.68 3cdz s THR 1814CO 0.05 0.29 -0.11 -0.47 -2.21 0.00 0.00 174.62 172.17 3cdz s TYR 1815N 1.62 0.96 -0.28 9.09 6.14 -0.31 -5.00 117.35 129.59 3cdz s TYR 1815Ca 0.06 -0.38 -0.23 0.00 0.64 0.00 0.00 57.07 57.16 3cdz s TYR 1815Cb -0.15 -0.57 0.09 0.00 0.42 0.00 0.00 41.96 41.74 3cdz s TYR 1815CO 0.05 -0.00 0.80 0.12 0.64 0.00 0.00 175.55 177.15 3cdz s PHE 1816N -0.99 -0.75 -0.12 4.97 2.19 -1.26 -0.59 117.98 121.43 3cdz s PHE 1816Ca -0.02 1.75 -0.29 0.00 0.33 0.00 0.00 56.93 58.69 3cdz s PHE 1816Cb -0.08 0.35 0.07 0.00 -1.31 0.00 0.00 43.02 42.05 3cdz s PHE 1816CO 0.01 -0.36 0.71 1.67 1.83 0.00 0.00 175.22 179.08 3cdz s TRP 1817N 0.58 -0.68 0.24 10.12 1.48 -0.89 -5.01 118.94 124.78 3cdz s TRP 1817Ca -0.01 1.33 -0.30 0.00 -1.06 0.00 0.00 56.10 56.06 3cdz s TRP 1817Cb -0.05 0.37 -0.10 0.00 -1.16 0.00 0.00 33.47 32.53 3cdz s TRP 1817CO -0.05 -0.53 1.46 0.21 -4.06 0.00 0.00 176.95 173.99 3cdz s LYS 1818N -0.71 4.26 -0.96 3.25 2.47 -1.26 -3.03 119.74 123.75 3cdz s LYS 1818Ca -0.07 2.32 -0.14 0.00 -1.56 0.00 0.00 55.97 56.51 3cdz s LYS 1818Cb -0.02 -3.11 0.20 0.00 -1.46 0.00 0.00 37.83 33.45 3cdz s LYS 1818CO 0.07 -0.45 1.01 0.54 0.16 0.00 0.00 175.35 176.68 3cdz s VAL 1819N 0.10 5.41 1.22 4.02 0.11 -1.20 -4.85 120.40 125.21 3cdz s VAL 1819Ca 0.60 -2.47 -0.14 0.00 -2.93 0.00 0.00 61.98 57.04 3cdz s VAL 1819Cb -0.42 -4.63 0.29 0.00 -1.53 0.00 0.00 36.38 30.09 3cdz s VAL 1819CO 0.42 -1.25 0.89 1.67 -3.33 0.00 0.00 175.10 173.50 3cdz n GLN 1820N 4.55 -2.78 0.14 1.54 -0.06 -1.26 -4.27 117.38 115.24 3cdz n GLN 1820Ca 0.21 -0.79 0.10 0.00 -2.00 0.00 0.00 57.00 54.52 3cdz n GLN 1820Cb 0.45 -2.08 0.52 0.00 -4.06 0.00 0.00 30.24 25.07 3cdz n GLN 1820CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 3cdz n HIS 1821N -5.08 0.67 -0.09 3.69 -0.00 -1.26 -2.25 115.22 110.89 3cdz n HIS 1821Ca 0.03 0.33 -0.02 0.00 -0.00 0.00 0.00 57.72 58.06 3cdz n HIS 1821Cb 0.55 -1.03 -0.02 0.00 -0.00 0.00 0.00 29.99 29.49 3cdz n HIS 1821CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 3cdz n HIS 1822N -2.17 -0.10 1.43 1.57 -0.00 -1.26 -2.14 115.22 112.54 3cdz n HIS 1822Ca -0.01 0.28 0.13 0.00 0.46 0.00 0.00 57.72 58.59 3cdz n HIS 1822Cb 0.06 -0.43 0.73 0.00 -0.12 0.00 0.00 29.99 30.23 3cdz n HIS 1822CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 3cdz n MET 1823N -3.40 0.55 -3.03 1.57 2.81 -0.95 -4.91 117.12 109.74 3cdz n MET 1823Ca 0.00 0.02 -0.36 0.00 -1.81 0.00 0.00 57.70 55.55 3cdz n MET 1823Cb 0.06 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.01 3cdz n MET 1823CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3cdz s ALA 1824N -2.38 3.37 0.81 3.04 0.00 -0.91 -4.83 121.76 120.86 3cdz s ALA 1824Ca 0.31 0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 3cdz s ALA 1824Cb 0.18 -2.90 0.08 0.00 0.00 0.00 0.00 23.12 20.49 3cdz s ALA 1824CO 0.38 0.30 1.09 -1.25 0.00 0.00 0.00 175.76 176.27 3cdz s PRO 1825N -1.99 1.97 0.48 0.00 0.04 -1.26 -5.01 135.00 129.23 3cdz s PRO 1825Ca 0.44 1.00 0.04 0.00 0.04 0.00 0.00 61.00 62.52 3cdz s PRO 1825Cb -0.17 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 3cdz s PRO 1825CO 0.22 -1.80 0.10 0.95 0.04 0.00 0.00 177.00 176.51 3cdz s THR 1826N -2.94 1.57 0.54 1.26 -4.23 -1.26 -4.89 115.64 105.68 3cdz s THR 1826Ca 0.62 -1.87 0.21 0.00 -1.18 0.00 0.00 61.69 59.46 3cdz s THR 1826Cb -0.17 -2.43 0.31 0.00 1.34 0.00 0.00 72.50 71.54 3cdz s THR 1826CO 0.56 0.00 2.16 0.07 -0.54 0.00 0.00 174.62 176.87 3cdz h LYS 1827N 1.34 0.00 0.00 3.99 5.09 -1.99 0.17 116.57 125.17 3cdz h LYS 1827Ca -0.43 0.00 -0.17 0.00 0.09 0.00 0.00 60.65 60.15 3cdz h LYS 1827Cb 1.29 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.60 3cdz h LYS 1827CO 0.72 0.00 -0.80 -0.44 -2.09 0.00 0.00 179.45 176.84 3cdz h ASP 1828N 0.00 0.00 0.00 7.07 3.45 -1.89 -3.47 116.42 121.58 3cdz h ASP 1828Ca 0.03 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.49 3cdz h ASP 1828Cb 0.13 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 3cdz h ASP 1828CO -0.00 0.81 0.00 -0.62 -1.57 0.00 0.00 179.24 177.86 3cdz n GLU 1829N -3.59 3.25 -3.53 3.56 1.02 0.59 -4.60 120.64 117.35 3cdz n GLU 1829Ca -0.01 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.92 3cdz n GLU 1829Cb 0.77 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.17 3cdz n GLU 1829CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3cdz s PHE 1830N 0.57 2.48 0.15 -0.32 0.08 -1.26 -4.92 117.98 114.76 3cdz s PHE 1830Ca 0.00 -0.55 0.32 0.00 0.12 0.00 0.00 56.93 56.82 3cdz s PHE 1830Cb 0.00 -2.16 1.69 0.00 -0.57 0.00 0.00 43.02 41.99 3cdz s PHE 1830CO 0.00 -0.26 1.98 -0.44 -0.10 0.00 0.00 175.22 176.40 3cdz h ASP 1831N 0.90 0.00 -3.68 1.36 5.19 -1.97 -3.42 116.42 114.80 3cdz h ASP 1831Ca -0.40 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.99 3cdz h ASP 1831Cb 1.27 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 40.57 3cdz h ASP 1831CO 0.55 0.00 0.11 0.00 -3.12 0.00 0.00 179.24 176.78 3cdz s LYS 1833N 0.74 2.88 -0.05 0.00 2.36 -1.04 -4.92 119.74 119.71 3cdz s LYS 1833Ca -0.03 -0.69 0.04 0.00 -2.55 0.00 0.00 55.97 52.74 3cdz s LYS 1833Cb -0.05 -2.57 0.00 0.00 -1.05 0.00 0.00 37.83 34.16 3cdz s LYS 1833CO -0.05 -0.38 -0.16 0.00 1.55 0.00 0.00 175.35 176.30 3cdz s ALA 1834N -2.57 1.49 0.07 3.13 0.00 -1.26 -2.95 121.76 119.66 3cdz s ALA 1834Ca 0.51 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.87 3cdz s ALA 1834Cb -0.10 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 3cdz s ALA 1834CO 0.37 0.23 -0.07 -1.58 0.00 0.00 0.00 175.76 174.71 3cdz s TRP 1835N 0.23 0.80 -0.01 0.00 0.52 -0.12 -4.66 118.94 115.70 3cdz s TRP 1835Ca -0.08 -0.69 -0.01 0.00 0.02 0.00 0.00 56.10 55.34 3cdz s TRP 1835Cb -0.13 -0.47 -0.04 0.00 -1.15 0.00 0.00 33.47 31.68 3cdz s TRP 1835CO 0.03 -0.11 0.08 0.00 0.02 0.00 0.00 176.95 176.98 3cdz s ALA 1836N -2.44 3.60 0.07 0.98 0.00 -1.26 -0.70 121.76 122.01 3cdz s ALA 1836Ca 0.01 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.19 3cdz s ALA 1836Cb -0.03 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 3cdz s ALA 1836CO -0.02 0.69 -0.22 1.52 0.00 0.00 0.00 175.76 177.73 3cdz s TYR 1837N -1.19 1.94 0.36 0.00 -0.85 0.29 -4.35 117.35 113.55 3cdz s TYR 1837Ca 0.23 -0.39 -0.16 0.00 -0.52 0.00 0.00 57.07 56.22 3cdz s TYR 1837Cb -0.12 -1.12 0.05 0.00 0.38 0.00 0.00 41.96 41.14 3cdz s TYR 1837CO 0.14 0.15 0.76 -0.59 -1.52 0.00 0.00 175.55 174.49 3cdz s PHE 1838N -0.91 0.10 -0.11 -3.49 -0.71 0.30 -1.02 117.98 112.13 3cdz s PHE 1838Ca 0.09 -0.72 -0.29 0.00 -1.04 0.00 0.00 56.93 54.97 3cdz s PHE 1838Cb -0.09 0.78 -0.01 0.00 -1.21 0.00 0.00 43.02 42.48 3cdz s PHE 1838CO 0.03 -1.49 0.97 0.45 -1.34 0.00 0.00 175.22 173.83 3cdz s SER 1839N -3.05 7.19 0.00 1.98 0.15 -1.21 -1.75 113.70 117.01 3cdz s SER 1839Ca 0.15 1.46 0.24 0.00 0.70 0.00 0.00 55.95 58.50 3cdz s SER 1839Cb -0.05 -2.53 0.35 0.00 -1.71 0.00 0.00 66.02 62.08 3cdz s SER 1839CO 0.11 -0.43 1.35 -0.90 1.20 0.00 0.00 173.24 174.58 3cdz n ASP 1840N 5.00 3.15 0.00 5.45 3.85 -1.26 -3.22 116.55 129.53 3cdz n ASP 1840Ca 0.08 -1.98 -0.10 0.00 -0.71 0.00 0.00 54.79 52.08 3cdz n ASP 1840Cb 0.49 -0.13 -0.04 0.00 -1.35 0.00 0.00 41.12 40.10 3cdz n ASP 1840CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 3cdz h VAL 1841N 4.47 0.69 -1.98 2.12 2.07 -1.87 -3.34 116.25 118.41 3cdz h VAL 1841Ca 0.00 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.98 3cdz h VAL 1841Cb 0.97 0.69 -0.37 0.00 -1.52 0.00 0.00 31.29 31.06 3cdz h VAL 1841CO 0.00 0.00 -1.03 -0.67 0.02 0.00 0.00 177.57 175.89 3cdz n ASP 1842N -5.25 -0.24 -0.48 0.57 4.64 -1.26 -4.99 116.55 109.54 3cdz n ASP 1842Ca -0.04 -2.64 0.36 0.00 -1.38 0.00 0.00 54.79 51.10 3cdz n ASP 1842Cb 0.17 -0.44 0.56 0.00 -1.04 0.00 0.00 41.12 40.37 3cdz n ASP 1842CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3cdz n LEU 1843N 1.85 0.01 0.22 -2.67 -0.00 -1.20 0.39 117.00 115.61 3cdz n LEU 1843Ca 0.23 0.72 -0.09 0.00 -0.00 0.00 0.00 56.01 56.86 3cdz n LEU 1843Cb 0.52 -0.36 -0.04 0.00 -0.00 0.00 0.00 43.42 43.54 3cdz n LEU 1843CO 0.14 -0.72 0.25 -0.08 -0.00 0.00 0.00 177.39 176.98 3cdz h GLU 1844N 0.00 -0.59 0.11 1.47 4.22 -1.94 -3.37 114.58 114.48 3cdz h GLU 1844Ca 0.65 0.04 -0.16 0.00 0.08 0.00 0.00 59.36 59.97 3cdz h GLU 1844Cb 2.57 0.13 0.02 0.00 0.50 0.00 0.00 28.75 31.97 3cdz h GLU 1844CO -0.04 -0.39 -0.68 0.87 -2.18 0.00 0.00 179.01 176.59 3cdz h LYS 1845N -1.14 0.27 -0.33 1.92 1.57 -0.83 -3.35 116.57 114.68 3cdz h LYS 1845Ca -0.06 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3cdz h LYS 1845Cb 0.47 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3cdz h LYS 1845CO 0.10 1.19 0.00 -0.25 -0.57 0.00 0.00 179.45 179.92 3cdz n ASP 1846N -4.21 0.33 -0.01 0.86 8.00 0.16 -0.27 116.55 121.42 3cdz n ASP 1846Ca -0.13 -0.78 -0.01 0.00 0.71 0.00 0.00 54.79 54.58 3cdz n ASP 1846Cb 0.76 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.12 41.68 3cdz n ASP 1846CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3cdz n VAL 1847N 0.19 0.12 0.10 2.53 3.14 -1.26 -3.03 118.33 120.13 3cdz n VAL 1847Ca 0.00 -0.06 -0.02 0.00 -2.96 0.00 0.00 64.34 61.30 3cdz n VAL 1847Cb 0.08 -0.72 -0.04 0.00 -1.06 0.00 0.00 33.84 32.10 3cdz n VAL 1847CO 0.00 0.00 0.00 0.45 -6.46 0.00 0.00 176.83 170.82 3cdz h HIS 1848N 0.00 0.00 0.23 1.45 3.86 -1.28 -3.32 115.15 116.09 3cdz h HIS 1848Ca -0.05 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 3cdz h HIS 1848Cb 1.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.56 3cdz h HIS 1848CO 0.00 0.74 -0.11 0.77 0.86 0.00 0.00 177.93 180.19 3cdz h SER 1849N 0.00 -0.27 0.00 2.45 0.02 -0.87 -3.42 113.55 111.46 3cdz h SER 1849Ca -0.01 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3cdz h SER 1849Cb 1.57 0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.18 3cdz h SER 1849CO 0.10 -0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.29 3cdz n GLY 1850N -0.97 0.39 2.56 -3.77 0.00 -1.23 -2.25 105.19 99.91 3cdz n GLY 1850Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 3cdz n GLY 1850CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cdz n LEU 1851N 0.00 3.86 -4.77 0.99 4.32 -1.17 -3.13 117.00 117.10 3cdz n LEU 1851Ca 0.00 -4.95 -0.38 0.00 -0.02 0.00 0.00 56.01 50.65 3cdz n LEU 1851Cb 0.00 -0.24 -0.06 0.00 -1.62 0.00 0.00 43.42 41.50 3cdz n LEU 1851CO 0.00 2.12 0.67 -0.63 -1.22 0.00 0.00 177.39 178.33 3cdz s ILE 1852N -4.79 4.03 -0.16 -0.08 1.01 -1.26 -3.67 121.20 116.28 3cdz s ILE 1852Ca 0.43 1.84 -0.17 0.00 0.00 0.00 0.00 60.65 62.76 3cdz s ILE 1852Cb 0.40 -4.09 0.05 0.00 0.01 0.00 0.00 42.46 38.82 3cdz s ILE 1852CO -0.13 0.29 0.48 -0.83 0.00 0.00 0.00 174.94 174.74 3cdz s GLY 1853N -1.37 -0.36 0.04 6.18 0.00 -0.19 -2.43 107.32 109.20 3cdz s GLY 1853Ca 0.47 1.29 -0.08 0.00 0.00 0.00 0.00 44.72 46.40 3cdz s GLY 1853CO 0.29 1.09 0.32 2.56 0.00 0.00 0.00 173.10 177.36 3cdz s PRO 1854N 0.08 3.65 -0.06 2.90 0.04 -1.26 -0.55 135.00 139.80 3cdz s PRO 1854Ca -0.01 0.01 -0.02 0.00 0.04 0.00 0.00 61.00 61.02 3cdz s PRO 1854Cb -0.03 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 31.50 3cdz s PRO 1854CO 0.01 0.61 0.13 -1.17 0.04 0.00 0.00 177.00 176.62 3cdz s LEU 1855N -1.85 0.67 -0.09 -3.56 0.20 0.13 -2.79 118.68 111.39 3cdz s LEU 1855Ca 0.30 0.27 0.04 0.00 0.69 0.00 0.00 54.13 55.43 3cdz s LEU 1855Cb -0.13 0.29 -0.01 0.00 -0.43 0.00 0.00 46.19 45.91 3cdz s LEU 1855CO 0.17 -0.16 -0.23 -0.76 -0.29 0.00 0.00 176.35 175.09 3cdz s LEU 1856N 1.30 2.18 -0.18 -0.68 1.02 0.11 -0.95 118.68 121.47 3cdz s LEU 1856Ca -0.08 -0.51 0.01 0.00 0.02 0.00 0.00 54.13 53.57 3cdz s LEU 1856Cb -0.12 -1.43 0.04 0.00 0.02 0.00 0.00 46.19 44.70 3cdz s LEU 1856CO -0.06 0.19 -0.12 -0.69 0.02 0.00 0.00 176.35 175.70 3cdz s VAL 1857N 0.15 1.61 0.21 -1.59 1.01 -1.15 -0.99 120.40 119.65 3cdz s VAL 1857Ca -0.12 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.08 3cdz s VAL 1857Cb -0.16 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3cdz s VAL 1857CO 0.07 0.27 -0.12 0.00 0.00 0.00 0.00 175.10 175.31 3cdz n HIS 1859N -0.14 1.11 -2.24 0.00 8.25 -1.19 -1.28 115.22 119.73 3cdz n HIS 1859Ca -0.10 0.40 -0.38 0.00 -0.26 0.00 0.00 57.72 57.39 3cdz n HIS 1859Cb 0.57 -2.07 -0.01 0.00 1.12 0.00 0.00 29.99 29.59 3cdz n HIS 1859CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3cdz s THR 1860N -2.26 3.06 -1.02 1.59 -4.23 -1.26 -3.50 115.64 108.02 3cdz s THR 1860Ca 0.71 0.84 -0.02 0.00 -1.18 0.00 0.00 61.69 62.05 3cdz s THR 1860Cb -0.27 -3.45 -0.02 0.00 1.34 0.00 0.00 72.50 70.09 3cdz s THR 1860CO 0.53 0.03 0.86 -3.20 -0.54 0.00 0.00 174.62 172.31 3cdz n ASN 1861N -0.24 -3.59 0.00 3.99 4.05 -1.26 -4.96 115.26 113.26 3cdz n ASN 1861Ca 0.06 -0.58 0.00 0.00 0.45 0.00 0.00 54.58 54.51 3cdz n ASN 1861Cb 0.47 -4.66 0.00 0.00 1.23 0.00 0.00 39.78 36.82 3cdz n ASN 1861CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 3cdz n THR 1862N -3.51 0.00 -1.14 -0.44 -2.24 -1.23 -5.08 114.28 100.64 3cdz n THR 1862Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3cdz n THR 1862Cb 0.63 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 3cdz n THR 1862CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3cdz n LEU 1863N -0.85 0.00 -4.04 3.22 4.77 -1.26 -4.49 117.00 114.35 3cdz n LEU 1863Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3cdz n LEU 1863Cb 0.05 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 3cdz n LEU 1863CO 0.00 -0.06 0.16 0.20 -1.33 0.00 0.00 177.39 176.36 3cdz s ASN 1864N -1.00 0.43 0.32 -1.43 0.02 -1.01 -4.91 114.94 107.36 3cdz s ASN 1864Ca 0.00 -1.25 0.06 0.00 -1.02 0.00 0.00 52.86 50.65 3cdz s ASN 1864Cb 0.00 0.63 0.55 0.00 0.02 0.00 0.00 41.25 42.46 3cdz s ASN 1864CO 0.00 -1.25 1.78 1.55 0.02 0.00 0.00 177.10 179.21 3cdz h PRO 1865N 2.18 0.32 -0.07 -0.60 0.13 -2.01 -3.34 132.00 128.61 3cdz h PRO 1865Ca -0.28 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3cdz h PRO 1865Cb 1.24 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3cdz h PRO 1865CO 0.39 0.56 0.00 0.00 -0.23 0.00 0.00 178.00 178.71 3cdz n ALA 1866N -2.48 2.05 -1.50 -0.56 0.00 -1.26 -4.94 120.51 111.82 3cdz n ALA 1866Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3cdz n ALA 1866Cb 0.38 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3cdz n ALA 1866CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3cdz n HIS 1867N -0.42 -3.97 -4.44 0.00 -0.00 -1.25 -4.78 115.22 100.36 3cdz n HIS 1867Ca 0.00 2.08 0.00 0.00 0.46 0.00 0.00 57.72 60.26 3cdz n HIS 1867Cb 0.02 -3.29 0.00 0.00 -0.12 0.00 0.00 29.99 26.60 3cdz n HIS 1867CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3cdz n GLY 1868N -0.15 -0.45 3.75 1.57 0.00 -1.26 -4.84 105.19 103.81 3cdz n GLY 1868Ca 0.00 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 3cdz n GLY 1868CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3cdz s ARG 1869N 0.00 2.20 0.00 1.61 1.70 -1.26 -2.41 118.95 120.78 3cdz s ARG 1869Ca 0.00 -2.42 0.00 0.00 -0.47 0.00 0.00 55.73 52.84 3cdz s ARG 1869Cb 0.00 -1.41 0.00 0.00 -0.57 0.00 0.00 34.95 32.97 3cdz s ARG 1869CO 0.00 -0.42 0.00 0.00 -1.08 0.00 0.00 175.30 173.80 3cdz n GLN 1870N -1.27 0.00 -1.48 3.89 -0.00 -1.26 -4.75 117.38 112.51 3cdz n GLN 1870Ca -0.20 0.00 -0.13 0.00 -0.00 0.00 0.00 57.00 56.68 3cdz n GLN 1870Cb 0.67 0.00 -0.10 0.00 -0.00 0.00 0.00 30.24 30.81 3cdz n GLN 1870CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3cdz n VAL 1871N 0.00 0.00 -3.93 -0.39 0.31 -1.26 -1.05 118.33 112.01 3cdz n VAL 1871Ca 0.00 -0.29 -0.26 0.00 -0.01 0.00 0.00 64.34 63.78 3cdz n VAL 1871Cb 0.06 -1.49 -0.02 0.00 -0.91 0.00 0.00 33.84 31.49 3cdz n VAL 1871CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3cdz n THR 1872N 7.96 -3.28 0.00 2.52 -1.04 -1.26 -4.99 114.28 114.19 3cdz n THR 1872Ca 0.40 -0.53 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3cdz n THR 1872Cb 0.42 -2.79 0.00 0.00 -1.82 0.00 0.00 70.33 66.15 3cdz n THR 1872CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3cdz n VAL 1873N -4.39 0.00 -2.05 12.58 0.31 -0.22 -4.20 118.33 120.36 3cdz n VAL 1873Ca -0.30 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.02 3cdz n VAL 1873Cb 0.68 -0.02 -0.01 0.00 -0.91 0.00 0.00 33.84 33.57 3cdz n VAL 1873CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3cdz n GLN 1874N 0.00 -2.03 -4.08 5.55 7.27 -1.26 -4.05 117.38 118.78 3cdz n GLN 1874Ca 0.00 1.81 -0.29 0.00 0.07 0.00 0.00 57.00 58.59 3cdz n GLN 1874Cb 0.00 -3.03 -0.07 0.00 2.41 0.00 0.00 30.24 29.55 3cdz n GLN 1874CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 3cdz s GLU 1875N -0.82 2.79 -0.02 3.69 2.02 -1.26 -2.40 118.70 122.69 3cdz s GLU 1875Ca -0.09 -0.79 -0.02 0.00 0.02 0.00 0.00 54.97 54.09 3cdz s GLU 1875Cb 0.01 -2.64 0.01 0.00 0.10 0.00 0.00 34.13 31.60 3cdz s GLU 1875CO 0.38 0.53 0.05 -0.06 0.02 0.00 0.00 175.26 176.19 3cdz s PHE 1876N -1.49 -0.05 0.05 1.61 0.08 -0.87 -4.99 117.98 112.33 3cdz s PHE 1876Ca 0.29 0.15 -0.06 0.00 0.12 0.00 0.00 56.93 57.43 3cdz s PHE 1876Cb -0.11 0.00 -0.05 0.00 -0.57 0.00 0.00 43.02 42.29 3cdz s PHE 1876CO 0.21 -0.03 0.30 0.00 -0.10 0.00 0.00 175.22 175.60 3cdz s ALA 1877N 0.11 3.84 -0.03 5.36 0.00 -1.26 0.34 121.76 130.13 3cdz s ALA 1877Ca -0.01 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.38 3cdz s ALA 1877Cb -0.01 -2.07 0.02 0.00 0.00 0.00 0.00 23.12 21.06 3cdz s ALA 1877CO -0.00 0.67 -0.04 -0.51 0.00 0.00 0.00 175.76 175.88 3cdz s LEU 1878N -2.04 1.42 -0.36 0.00 1.02 -0.35 -4.84 118.68 113.53 3cdz s LEU 1878Ca 0.32 -0.10 0.08 0.00 0.02 0.00 0.00 54.13 54.45 3cdz s LEU 1878Cb -0.13 -0.37 0.44 0.00 0.02 0.00 0.00 46.19 46.16 3cdz s LEU 1878CO 0.19 -0.04 1.13 0.49 0.02 0.00 0.00 176.35 178.14 3cdz n PHE 1879N 3.86 2.82 -1.93 0.29 3.01 -1.26 -1.40 117.46 122.84 3cdz n PHE 1879Ca -0.24 -2.69 -0.39 0.00 1.01 0.00 0.00 57.45 55.14 3cdz n PHE 1879Cb 0.52 -0.21 -0.03 0.00 -0.01 0.00 0.00 39.48 39.75 3cdz n PHE 1879CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3cdz s LEU 1880N -3.54 3.36 0.41 4.37 1.43 -1.21 -4.22 118.68 119.27 3cdz s LEU 1880Ca 0.46 0.70 0.04 0.00 -1.03 0.00 0.00 54.13 54.29 3cdz s LEU 1880Cb 0.40 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 3cdz s LEU 1880CO -0.07 -2.34 0.05 -0.89 0.23 0.00 0.00 176.35 173.33 3cdz s THR 1881N 9.25 1.19 -0.49 5.49 2.01 -1.18 -2.94 115.64 128.96 3cdz s THR 1881Ca 0.76 -2.00 0.03 0.00 0.31 0.00 0.00 61.69 60.79 3cdz s THR 1881Cb -0.16 -2.57 0.13 0.00 0.01 0.00 0.00 72.50 69.92 3cdz s THR 1881CO 0.24 0.00 0.26 -0.63 -0.69 0.00 0.00 174.62 173.80 3cdz s ILE 1882N -3.06 2.12 0.69 1.82 1.01 -1.26 -0.84 121.20 121.68 3cdz s ILE 1882Ca 0.26 -3.05 -0.17 0.00 0.00 0.00 0.00 60.65 57.69 3cdz s ILE 1882Cb 0.06 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 40.06 3cdz s ILE 1882CO 0.13 -0.85 1.23 0.49 0.00 0.00 0.00 174.94 175.95 3cdz n PHE 1883N 3.24 1.63 -3.77 3.97 3.01 -1.14 -4.94 117.46 119.45 3cdz n PHE 1883Ca 0.07 0.42 -0.13 0.00 1.01 0.00 0.00 57.45 58.82 3cdz n PHE 1883Cb 0.33 -2.21 -0.11 0.00 -0.01 0.00 0.00 39.48 37.48 3cdz n PHE 1883CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3cdz s ASP 1884N -1.58 -0.31 -0.81 4.37 2.15 -1.26 -4.53 116.67 114.71 3cdz s ASP 1884Ca 0.80 0.57 0.02 0.00 0.43 0.00 0.00 52.55 54.37 3cdz s ASP 1884Cb -0.36 0.60 0.29 0.00 -0.30 0.00 0.00 42.92 43.16 3cdz s ASP 1884CO 0.44 -0.14 1.14 -0.62 -0.17 0.00 0.00 175.17 175.82 3cdz n GLU 1885N 2.77 3.62 -0.25 4.34 -0.58 -1.26 -3.76 120.64 125.52 3cdz n GLU 1885Ca -0.14 -4.68 0.09 0.00 -0.42 0.00 0.00 57.16 52.01 3cdz n GLU 1885Cb 0.58 -2.36 0.22 0.00 -0.57 0.00 0.00 31.44 29.31 3cdz n GLU 1885CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3cdz n THR 1886N 0.65 0.88 -4.76 2.62 -1.04 -1.26 -4.93 114.28 106.45 3cdz n THR 1886Ca 0.31 -0.94 -0.27 0.00 -2.04 0.00 0.00 64.05 61.11 3cdz n THR 1886Cb 0.36 0.60 -0.14 0.00 -1.82 0.00 0.00 70.33 69.33 3cdz n THR 1886CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3cdz s LYS 1887N -1.05 1.53 0.01 -2.82 3.01 -1.25 -4.98 119.74 114.19 3cdz s LYS 1887Ca 0.35 -0.96 -0.00 0.00 -1.01 0.00 0.00 55.97 54.34 3cdz s LYS 1887Cb 0.19 -1.64 0.00 0.00 -1.01 0.00 0.00 37.83 35.37 3cdz s LYS 1887CO 0.25 0.42 0.01 -1.13 0.51 0.00 0.00 175.35 175.41 3cdz n SER 1888N 1.92 -6.33 -0.12 2.83 3.41 -1.26 -4.15 113.62 109.92 3cdz n SER 1888Ca -0.17 1.58 0.00 0.00 -0.26 0.00 0.00 58.87 60.03 3cdz n SER 1888Cb 0.53 -4.03 0.00 0.00 -0.26 0.00 0.00 64.21 60.45 3cdz n SER 1888CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 3cdz n TRP 1889N 1.91 -0.12 0.26 7.33 2.14 -1.26 -4.69 117.44 123.02 3cdz n TRP 1889Ca -0.01 0.00 0.16 0.00 2.07 0.00 0.00 57.50 59.71 3cdz n TRP 1889Cb 0.02 -0.20 0.72 0.00 -0.81 0.00 0.00 31.31 31.04 3cdz n TRP 1889CO 0.00 0.00 0.00 0.10 2.07 0.00 0.00 177.69 179.86 3cdz h TYR 1890N 0.00 0.00 -0.84 -2.67 -0.00 -1.92 0.36 116.97 111.90 3cdz h TYR 1890Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 58.73 58.93 3cdz h TYR 1890Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 36.73 36.58 3cdz h TYR 1890CO 0.00 0.00 -0.04 0.74 -0.00 0.00 0.00 178.16 178.86 3cdz h PHE 1891N 0.00 -0.14 0.00 0.10 -1.00 -1.94 0.18 116.94 114.14 3cdz h PHE 1891Ca 0.06 0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.91 3cdz h PHE 1891Cb 0.96 0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.71 3cdz h PHE 1891CO 0.00 -0.32 0.00 -2.37 -1.61 0.00 0.00 178.31 174.01 3cdz n THR 1892N -5.43 1.04 0.00 -1.55 5.66 0.12 -2.68 114.28 111.43 3cdz n THR 1892Ca 0.16 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 3cdz n THR 1892Cb 0.54 -1.24 0.00 0.00 -1.55 0.00 0.00 70.33 68.08 3cdz n THR 1892CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3cdz n GLU 1893N 1.68 0.00 -0.17 1.09 1.02 0.59 -4.67 120.64 120.18 3cdz n GLU 1893Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 3cdz n GLU 1893Cb 0.27 -0.23 0.01 0.00 -0.02 0.00 0.00 31.44 31.46 3cdz n GLU 1893CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3cdz h ASN 1894N 0.00 0.66 -0.27 1.62 4.21 -1.25 -1.91 115.58 118.65 3cdz h ASN 1894Ca 0.00 -0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.35 3cdz h ASN 1894Cb 0.00 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.03 3cdz h ASN 1894CO 0.00 0.64 0.00 0.23 -1.29 0.00 0.00 177.43 177.01 3cdz n MET 1895N -4.58 2.84 -0.03 0.81 2.81 -1.22 -4.32 117.12 113.43 3cdz n MET 1895Ca 0.01 -2.15 -0.21 0.00 -1.81 0.00 0.00 57.70 53.54 3cdz n MET 1895Cb 0.15 -1.35 -0.13 0.00 -0.71 0.00 0.00 33.22 31.17 3cdz n MET 1895CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3cdz h GLU 1896N 1.60 0.17 -4.81 0.03 4.81 -1.73 -3.46 114.58 111.19 3cdz h GLU 1896Ca 0.00 -0.29 -0.27 0.00 -0.13 0.00 0.00 59.36 58.67 3cdz h GLU 1896Cb 0.85 0.11 -0.15 0.00 0.63 0.00 0.00 28.75 30.19 3cdz h GLU 1896CO 0.04 1.14 -0.69 0.50 -0.73 0.00 0.00 179.01 179.27 3cdz s ARG 1897N -2.45 0.99 0.00 1.92 3.00 -0.73 -4.82 118.95 116.87 3cdz s ARG 1897Ca -0.23 -1.44 0.00 0.00 -1.00 0.00 0.00 55.73 53.06 3cdz s ARG 1897Cb 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 34.95 34.66 3cdz s ARG 1897CO 0.71 -0.04 0.00 0.09 0.00 0.00 0.00 175.30 176.07 3cdz n ASN 1898N -0.16 0.00 -3.74 -2.12 5.03 -1.26 -4.41 115.26 108.60 3cdz n ASN 1898Ca -0.10 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.23 3cdz n ASN 1898Cb 0.62 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.26 3cdz n ASN 1898CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3cdz n ARG 1900N 3.52 0.00 0.09 0.00 3.00 -1.26 -4.81 116.66 117.19 3cdz n ARG 1900Ca -0.18 0.00 0.12 0.00 -0.01 0.00 0.00 57.85 57.78 3cdz n ARG 1900Cb 0.56 0.00 0.13 0.00 0.00 0.00 0.00 32.46 33.15 3cdz n ARG 1900CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3cdz h ALA 1901N 1.19 0.60 -2.04 7.54 0.00 -2.04 -3.39 119.26 121.12 3cdz h ALA 1901Ca 0.00 0.00 -0.78 0.00 0.00 0.00 0.00 54.91 54.13 3cdz h ALA 1901Cb 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.55 3cdz h ALA 1901CO 0.00 0.00 0.93 -0.35 0.00 0.00 0.00 179.25 179.83 3cdz n PRO 1902N -2.35 3.65 0.00 0.00 -0.04 -1.26 -5.00 135.00 130.00 3cdz n PRO 1902Ca 0.02 -4.20 0.00 0.00 -0.04 0.00 0.00 63.50 59.28 3cdz n PRO 1902Cb 0.48 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 3cdz n PRO 1902CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cdz n ASN 1904N 0.00 -1.37 -3.80 0.00 4.13 -1.26 -5.00 115.26 107.97 3cdz n ASN 1904Ca 0.00 -1.01 -0.27 0.00 1.68 0.00 0.00 54.58 54.98 3cdz n ASN 1904Cb 0.00 -3.13 -0.17 0.00 -1.54 0.00 0.00 39.78 34.94 3cdz n ASN 1904CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3cdz s ILE 1905N -3.84 0.74 -0.15 2.41 -4.36 -1.26 -5.00 121.20 109.74 3cdz s ILE 1905Ca 0.10 -0.54 -0.10 0.00 -0.26 0.00 0.00 60.65 59.85 3cdz s ILE 1905Cb -0.04 -1.09 0.04 0.00 1.25 0.00 0.00 42.46 42.62 3cdz s ILE 1905CO 0.88 -0.04 0.21 0.00 0.24 0.00 0.00 174.94 176.22 3cdz n GLN 1906N 4.98 -3.71 0.05 0.37 1.13 -1.26 -5.03 117.38 113.91 3cdz n GLN 1906Ca -0.10 2.89 -0.04 0.00 -1.94 0.00 0.00 57.00 57.82 3cdz n GLN 1906Cb 0.47 -4.27 -0.02 0.00 0.11 0.00 0.00 30.24 26.54 3cdz n GLN 1906CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cdz h MET 1907N 3.28 -0.22 0.00 -1.09 -0.00 -2.03 -3.45 114.93 111.42 3cdz h MET 1907Ca -0.47 0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.25 3cdz h MET 1907Cb 1.05 0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.70 3cdz h MET 1907CO 0.01 -0.15 0.00 0.39 -0.00 0.00 0.00 176.91 177.16 3cdz n GLU 1908N -4.78 0.00 -2.80 -0.10 4.71 -1.26 -5.02 120.64 111.39 3cdz n GLU 1908Ca -0.03 -0.12 -0.33 0.00 -0.01 0.00 0.00 57.16 56.67 3cdz n GLU 1908Cb 0.09 -0.32 -0.07 0.00 -1.01 0.00 0.00 31.44 30.13 3cdz n GLU 1908CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3cdz s ASP 1909N 0.00 6.94 0.00 1.62 1.01 -1.26 -4.34 116.67 120.64 3cdz s ASP 1909Ca 0.00 1.71 0.00 0.00 0.71 0.00 0.00 52.55 54.97 3cdz s ASP 1909Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3cdz s ASP 1909CO 0.00 -0.36 0.00 -2.65 0.21 0.00 0.00 175.17 172.37 3cdz n PRO 1910N -0.57 0.00 0.01 8.23 -0.02 -1.26 -4.60 135.00 136.79 3cdz n PRO 1910Ca 0.07 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.34 3cdz n PRO 1910Cb 0.54 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.88 3cdz n PRO 1910CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cdz h THR 1911N 0.00 0.67 -1.13 3.45 1.03 -1.94 -3.49 112.91 111.50 3cdz h THR 1911Ca 0.00 -2.38 0.00 0.00 -0.01 0.00 0.00 66.41 64.02 3cdz h THR 1911Cb 0.00 2.54 0.00 0.00 -1.07 0.00 0.00 68.15 69.62 3cdz h THR 1911CO 0.00 0.88 0.00 2.22 -0.01 0.00 0.00 175.52 178.61 3cdz n PHE 1912N -3.48 0.00 0.68 0.00 1.16 -1.26 -4.71 117.46 109.85 3cdz n PHE 1912Ca -0.30 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.40 3cdz n PHE 1912Cb 1.05 0.00 0.47 0.00 -1.61 0.00 0.00 39.48 39.39 3cdz n PHE 1912CO 0.00 0.00 0.00 0.36 -1.87 0.00 0.00 176.76 175.25 3cdz n LYS 1913N 0.10 0.11 -0.02 3.97 2.85 -1.26 0.15 118.16 124.06 3cdz n LYS 1913Ca 0.00 0.19 -0.01 0.00 -1.05 0.00 0.00 58.31 57.44 3cdz n LYS 1913Cb 0.00 -1.65 -0.03 0.00 -0.65 0.00 0.00 35.03 32.69 3cdz n LYS 1913CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3cdz n GLU 1914N -1.85 2.73 -0.24 -1.58 4.71 -1.26 -3.91 120.64 119.23 3cdz n GLU 1914Ca 0.05 -0.01 -0.03 0.00 -0.01 0.00 0.00 57.16 57.16 3cdz n GLU 1914Cb 0.31 -1.10 0.06 0.00 -1.01 0.00 0.00 31.44 29.70 3cdz n GLU 1914CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3cdz n ASN 1915N -2.05 2.72 -0.00 1.62 4.13 -1.21 0.13 115.26 120.60 3cdz n ASN 1915Ca -0.05 -2.30 0.04 0.00 1.68 0.00 0.00 54.58 53.95 3cdz n ASN 1915Cb 0.53 -0.56 -0.06 0.00 -1.54 0.00 0.00 39.78 38.15 3cdz n ASN 1915CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3cdz n TYR 1916N 0.14 0.00 0.00 3.10 9.36 0.41 -4.81 117.16 125.35 3cdz n TYR 1916Ca 0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.32 3cdz n TYR 1916Cb 0.64 -0.14 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 3cdz n TYR 1916CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3cdz n ARG 1917N -1.63 0.00 -1.47 2.98 1.74 -0.85 -5.03 116.66 112.39 3cdz n ARG 1917Ca -0.01 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.62 3cdz n ARG 1917Cb 0.19 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.54 3cdz n ARG 1917CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3cdz n PHE 1918N -0.06 1.20 -3.24 -1.55 0.99 0.35 -4.86 117.46 110.29 3cdz n PHE 1918Ca 0.00 0.31 -0.25 0.00 -0.00 0.00 0.00 57.45 57.51 3cdz n PHE 1918Cb 0.00 -2.49 -0.06 0.00 -1.00 0.00 0.00 39.48 35.93 3cdz n PHE 1918CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 3cdz n HIS 1919N 11.35 2.40 -1.60 1.38 8.25 -1.26 -2.90 115.22 132.84 3cdz n HIS 1919Ca 0.49 -3.95 -0.42 0.00 -0.26 0.00 0.00 57.72 53.59 3cdz n HIS 1919Cb 0.22 -0.48 0.01 0.00 1.12 0.00 0.00 29.99 30.86 3cdz n HIS 1919CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3cdz n ALA 1920N 0.68 0.08 -1.98 -1.41 0.00 -0.02 -4.60 120.51 113.25 3cdz n ALA 1920Ca 0.28 0.25 0.04 0.00 0.00 0.00 0.00 53.44 54.01 3cdz n ALA 1920Cb 0.46 -2.06 0.13 0.00 0.00 0.00 0.00 19.45 17.98 3cdz n ALA 1920CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3cdz n ILE 1921N -0.39 1.39 0.00 0.00 5.41 -1.26 -3.12 119.36 121.39 3cdz n ILE 1921Ca 0.09 -2.46 0.00 0.00 1.00 0.00 0.00 62.75 61.39 3cdz n ILE 1921Cb 0.38 0.22 0.00 0.00 -0.71 0.00 0.00 39.64 39.53 3cdz n ILE 1921CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3cdz n ASN 1922N -0.49 0.00 0.00 4.38 5.15 -1.26 -4.32 115.26 118.72 3cdz n ASN 1922Ca 0.15 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 3cdz n ASN 1922Cb 0.87 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.12 3cdz n ASN 1922CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3cdz n GLY 1923N 0.00 1.35 2.14 8.20 0.00 -1.26 -4.45 105.19 111.17 3cdz n GLY 1923Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3cdz n GLY 1923CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cdz n TYR 1924N -0.12 2.86 -3.10 1.61 4.01 -1.26 -4.74 117.16 116.42 3cdz n TYR 1924Ca 0.00 -1.68 -0.38 0.00 -0.16 0.00 0.00 57.90 55.69 3cdz n TYR 1924Cb 0.00 -0.87 -0.02 0.00 -0.31 0.00 0.00 39.34 38.14 3cdz n TYR 1924CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3cdz n ILE 1925N -0.90 4.44 0.00 -0.72 2.08 -1.26 -3.00 119.36 120.01 3cdz n ILE 1925Ca 0.54 -5.72 0.00 0.00 0.56 0.00 0.00 62.75 58.13 3cdz n ILE 1925Cb 1.59 -2.02 0.00 0.00 -0.75 0.00 0.00 39.64 38.46 3cdz n ILE 1925CO 0.00 0.00 0.00 1.15 0.56 0.00 0.00 176.55 178.26 3cdz n MET 1926N 1.01 0.00 -2.34 0.38 -0.00 -1.26 -4.46 117.12 110.45 3cdz n MET 1926Ca 0.29 0.00 -0.19 0.00 -0.00 0.00 0.00 57.70 57.80 3cdz n MET 1926Cb 0.35 0.00 0.02 0.00 -0.00 0.00 0.00 33.22 33.59 3cdz n MET 1926CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3cdz n ASP 1927N 0.00 3.92 0.00 3.17 9.92 -1.26 -4.20 116.55 128.10 3cdz n ASP 1927Ca 0.00 -3.32 0.00 0.00 -0.53 0.00 0.00 54.79 50.94 3cdz n ASP 1927Cb 0.00 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 3cdz n ASP 1927CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 3cdz n THR 1928N -0.58 0.00 -4.30 -3.53 5.66 -1.26 -4.33 114.28 105.95 3cdz n THR 1928Ca 0.33 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 61.07 3cdz n THR 1928Cb 0.85 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.55 3cdz n THR 1928CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 3cdz s LEU 1929N 0.00 3.04 0.00 1.09 2.34 -1.16 -4.60 118.68 119.39 3cdz s LEU 1929Ca 0.00 -0.61 0.00 0.00 0.06 0.00 0.00 54.13 53.58 3cdz s LEU 1929Cb 0.00 -1.66 0.00 0.00 -0.56 0.00 0.00 46.19 43.97 3cdz s LEU 1929CO 0.00 0.07 0.04 -0.81 -1.06 0.00 0.00 176.35 174.58 3cdz n PRO 1930N -0.31 0.00 -0.93 1.48 -0.04 -1.26 -4.68 135.00 129.26 3cdz n PRO 1930Ca -0.09 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.03 3cdz n PRO 1930Cb 0.57 -0.28 -0.04 0.00 -0.04 0.00 0.00 33.50 33.70 3cdz n PRO 1930CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cdz n GLY 1931N 1.88 2.60 2.77 0.55 0.00 -1.26 -4.76 105.19 106.96 3cdz n GLY 1931Ca 0.00 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 3cdz n GLY 1931CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cdz n LEU 1932N 6.38 5.89 -4.67 0.99 4.77 -1.26 -4.11 117.00 124.99 3cdz n LEU 1932Ca 0.45 -5.48 -0.39 0.00 -0.03 0.00 0.00 56.01 50.56 3cdz n LEU 1932Cb 0.30 -0.92 -0.06 0.00 -2.33 0.00 0.00 43.42 40.40 3cdz n LEU 1932CO 0.91 2.11 0.28 0.68 -1.33 0.00 0.00 177.39 180.05 3cdz s VAL 1933N -3.99 5.08 -0.11 4.08 -7.23 -1.26 -2.28 120.40 114.69 3cdz s VAL 1933Ca 0.41 1.04 -0.24 0.00 -1.81 0.00 0.00 61.98 61.39 3cdz s VAL 1933Cb 0.20 -3.88 0.06 0.00 0.56 0.00 0.00 36.38 33.32 3cdz s VAL 1933CO -0.09 0.17 0.57 0.00 -0.31 0.00 0.00 175.10 175.45 3cdz s MET 1934N 1.60 0.84 -0.05 4.82 0.23 -1.12 -5.04 119.30 120.58 3cdz s MET 1934Ca 0.26 0.38 -0.30 0.00 -1.03 0.00 0.00 55.69 55.00 3cdz s MET 1934Cb -0.16 0.40 -0.05 0.00 -1.53 0.00 0.00 34.83 33.50 3cdz s MET 1934CO 0.10 -0.21 1.41 0.00 -2.03 0.00 0.00 175.02 174.30 3cdz s ALA 1935N -0.66 3.60 -1.56 3.16 0.00 -1.26 -2.93 121.76 122.11 3cdz s ALA 1935Ca -0.07 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3cdz s ALA 1935Cb -0.03 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3cdz s ALA 1935CO 0.05 -1.05 0.13 0.00 0.00 0.00 0.00 175.76 174.89 3cdz n GLN 1936N 5.96 0.00 0.00 0.00 -0.00 0.12 -3.08 117.38 120.39 3cdz n GLN 1936Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.14 3cdz n GLN 1936Cb 0.44 -1.17 0.00 0.00 -0.00 0.00 0.00 30.24 29.51 3cdz n GLN 1936CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3cdz n ASP 1937N -0.56 0.00 -1.00 2.61 10.43 -1.26 -3.82 116.55 122.95 3cdz n ASP 1937Ca 0.00 0.00 -0.06 0.00 2.57 0.00 0.00 54.79 57.30 3cdz n ASP 1937Cb 0.00 0.00 -0.05 0.00 1.84 0.00 0.00 41.12 42.91 3cdz n ASP 1937CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3cdz n GLN 1938N -1.96 0.00 -1.96 -1.24 6.02 -1.18 -4.52 117.38 112.55 3cdz n GLN 1938Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 3cdz n GLN 1938Cb 0.00 -0.26 -0.03 0.00 1.02 0.00 0.00 30.24 30.97 3cdz n GLN 1938CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3cdz s ARG 1939N 1.70 4.22 -0.17 -1.09 1.70 -1.26 -4.68 118.95 119.36 3cdz s ARG 1939Ca 0.30 2.30 -0.09 0.00 -0.47 0.00 0.00 55.73 57.77 3cdz s ARG 1939Cb -0.22 -3.42 -0.05 0.00 -0.57 0.00 0.00 34.95 30.69 3cdz s ARG 1939CO 0.12 -0.66 0.14 0.96 -1.08 0.00 0.00 175.30 174.78 3cdz s ILE 1940N 2.01 5.44 -0.20 4.99 -5.25 -0.47 -4.42 121.20 123.30 3cdz s ILE 1940Ca 0.71 0.20 -0.10 0.00 -0.99 0.00 0.00 60.65 60.48 3cdz s ILE 1940Cb -0.40 -3.45 -0.05 0.00 2.95 0.00 0.00 42.46 41.51 3cdz s ILE 1940CO 0.31 0.50 0.12 -0.60 -1.79 0.00 0.00 174.94 173.49 3cdz s ARG 1941N -0.11 4.15 -0.16 0.37 3.52 -1.01 -1.78 118.95 123.93 3cdz s ARG 1941Ca 0.11 -0.24 -0.07 0.00 -0.13 0.00 0.00 55.73 55.40 3cdz s ARG 1941Cb -0.11 -3.40 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 3cdz s ARG 1941CO 0.00 0.28 0.07 -1.58 -0.81 0.00 0.00 175.30 173.26 3cdz s TRP 1942N 0.41 3.29 -0.79 5.12 0.52 0.13 -2.04 118.94 125.58 3cdz s TRP 1942Ca 0.07 0.16 -0.05 0.00 0.02 0.00 0.00 56.10 56.30 3cdz s TRP 1942Cb -0.11 -2.03 0.20 0.00 -1.15 0.00 0.00 33.47 30.38 3cdz s TRP 1942CO -0.01 0.27 0.66 0.71 0.02 0.00 0.00 176.95 178.60 3cdz s TYR 1943N 0.03 3.69 -0.33 -1.98 1.51 0.15 -1.68 117.35 118.74 3cdz s TYR 1943Ca 0.06 -2.69 -0.22 0.00 -1.01 0.00 0.00 57.07 53.22 3cdz s TYR 1943Cb -0.12 -3.37 0.00 0.00 -0.11 0.00 0.00 41.96 38.36 3cdz s TYR 1943CO 0.01 -0.84 0.70 -0.51 -1.11 0.00 0.00 175.55 173.80 3cdz s LEU 1944N -0.54 4.16 -0.26 -1.29 1.43 -0.17 -1.21 118.68 120.80 3cdz s LEU 1944Ca 0.22 0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 53.70 3cdz s LEU 1944Cb -0.13 -2.92 0.08 0.00 0.03 0.00 0.00 46.19 43.25 3cdz s LEU 1944CO -0.08 -0.60 0.04 -0.76 0.23 0.00 0.00 176.35 175.18 3cdz s LEU 1945N 2.83 2.24 0.38 1.79 1.43 -0.50 0.10 118.68 126.96 3cdz s LEU 1945Ca 0.28 -1.35 -0.24 0.00 -1.03 0.00 0.00 54.13 51.79 3cdz s LEU 1945Cb -0.14 -0.93 -0.10 0.00 0.03 0.00 0.00 46.19 45.05 3cdz s LEU 1945CO 0.14 -0.34 0.96 -0.55 0.23 0.00 0.00 176.35 176.79 3cdz s SER 1946N 1.57 7.09 0.00 2.29 0.15 -1.26 -3.32 113.70 120.22 3cdz s SER 1946Ca 0.03 1.80 0.00 0.00 0.70 0.00 0.00 55.95 58.48 3cdz s SER 1946Cb -0.18 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 3cdz s SER 1946CO -0.15 -0.25 0.00 0.23 1.20 0.00 0.00 173.24 174.27 3cdz n MET 1947N -0.03 0.56 0.00 5.44 2.81 -1.15 -2.70 117.12 122.05 3cdz n MET 1947Ca 0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 3cdz n MET 1947Cb 0.52 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.03 3cdz n MET 1947CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3cdz n GLY 1948N 1.58 1.51 0.00 3.03 0.00 -1.26 -4.53 105.19 105.51 3cdz n GLY 1948Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3cdz n GLY 1948CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cdz n SER 1949N 6.96 0.00 -0.89 1.61 7.64 -1.26 -5.02 113.62 122.66 3cdz n SER 1949Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.96 3cdz n SER 1949Cb 0.00 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 63.41 3cdz n SER 1949CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3cdz n ASN 1950N 0.00 3.24 -0.33 6.43 2.85 -1.26 -3.73 115.26 122.46 3cdz n ASN 1950Ca 0.00 -1.97 0.05 0.00 -0.11 0.00 0.00 54.58 52.55 3cdz n ASN 1950Cb 0.00 -0.30 0.02 0.00 1.24 0.00 0.00 39.78 40.74 3cdz n ASN 1950CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 3cdz n GLU 1951N 0.95 1.35 -0.18 1.20 0.00 -1.26 -4.79 120.64 117.91 3cdz n GLU 1951Ca 0.16 -0.86 0.00 0.00 0.00 0.00 0.00 57.16 56.46 3cdz n GLU 1951Cb 0.49 -1.15 0.00 0.00 0.00 0.00 0.00 31.44 30.79 3cdz n GLU 1951CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3cdz n ASN 1952N 0.15 3.26 -4.75 -1.84 3.02 -1.24 -4.78 115.26 109.07 3cdz n ASN 1952Ca 0.05 -1.84 -0.41 0.00 -0.03 0.00 0.00 54.58 52.35 3cdz n ASN 1952Cb 0.24 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 3cdz n ASN 1952CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3cdz s ILE 1953N 0.29 3.12 -0.03 2.41 1.01 -1.26 -4.21 121.20 122.54 3cdz s ILE 1953Ca 0.00 0.97 0.01 0.00 0.00 0.00 0.00 60.65 61.63 3cdz s ILE 1953Cb 0.00 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.87 3cdz s ILE 1953CO 0.00 0.17 -0.01 -1.00 0.00 0.00 0.00 174.94 174.10 3cdz s HIS 1954N -0.23 0.36 -0.45 3.97 3.76 -0.98 -5.02 115.29 116.71 3cdz s HIS 1954Ca 0.54 -0.03 -0.04 0.00 -0.15 0.00 0.00 55.06 55.39 3cdz s HIS 1954Cb -0.37 -0.43 0.12 0.00 1.11 0.00 0.00 32.58 33.01 3cdz s HIS 1954CO 0.41 -0.13 0.26 -1.12 -0.85 0.00 0.00 174.74 173.31 3cdz s SER 1955N 0.96 5.30 0.03 1.40 0.01 -1.26 0.36 113.70 120.50 3cdz s SER 1955Ca -0.10 -2.14 -0.04 0.00 1.31 0.00 0.00 55.95 54.97 3cdz s SER 1955Cb -0.13 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.20 3cdz s SER 1955CO -0.01 -0.53 0.24 -0.63 0.41 0.00 0.00 173.24 172.72 3cdz s ILE 1956N 0.98 5.34 0.23 1.44 1.01 -1.19 0.64 121.20 129.65 3cdz s ILE 1956Ca 0.09 -0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.62 3cdz s ILE 1956Cb -0.23 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 3cdz s ILE 1956CO -0.04 0.28 0.35 -1.38 0.00 0.00 0.00 174.94 174.16 3cdz s HIS 1957N -1.38 0.63 -0.25 3.97 -3.43 -1.10 -1.02 115.29 112.71 3cdz s HIS 1957Ca 0.30 -0.95 0.02 0.00 -0.80 0.00 0.00 55.06 53.63 3cdz s HIS 1957Cb -0.13 -0.07 0.05 0.00 -1.43 0.00 0.00 32.58 31.00 3cdz s HIS 1957CO 0.20 -0.87 -0.11 -0.06 -2.00 0.00 0.00 174.74 171.90 3cdz s PHE 1958N -4.07 3.16 0.39 0.38 0.08 -1.26 -2.73 117.98 113.94 3cdz s PHE 1958Ca 0.28 -2.07 -0.25 0.00 0.12 0.00 0.00 56.93 55.00 3cdz s PHE 1958Cb 0.02 -1.96 -0.11 0.00 -0.57 0.00 0.00 43.02 40.39 3cdz s PHE 1958CO 0.10 -0.84 1.07 0.45 -0.10 0.00 0.00 175.22 175.89 3cdz n SER 1959N 4.51 1.56 -3.32 1.36 2.88 -1.20 -2.38 113.62 117.04 3cdz n SER 1959Ca -0.15 1.08 -0.23 0.00 -1.33 0.00 0.00 58.87 58.24 3cdz n SER 1959Cb 0.44 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 3cdz n SER 1959CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cdz n GLY 1960N 1.11 -0.49 3.18 0.46 0.00 -1.26 -4.87 105.19 103.31 3cdz n GLY 1960Ca 0.09 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 3cdz n GLY 1960CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cdz s HIS 1961N -2.98 0.12 0.00 1.61 4.02 -1.00 -4.89 115.29 112.18 3cdz s HIS 1961Ca 0.39 -0.44 -0.02 0.00 1.02 0.00 0.00 55.06 56.00 3cdz s HIS 1961Cb -0.20 -0.07 -0.01 0.00 -1.02 0.00 0.00 32.58 31.29 3cdz s HIS 1961CO 0.48 -0.46 0.03 0.08 1.02 0.00 0.00 174.74 175.89 3cdz s VAL 1962N -3.10 0.06 0.22 -0.90 1.01 -1.26 -4.74 120.40 111.68 3cdz s VAL 1962Ca -0.01 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.56 3cdz s VAL 1962Cb 0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.14 3cdz s VAL 1962CO -0.07 -0.26 -0.08 0.72 0.00 0.00 0.00 175.10 175.41 3cdz s PHE 1963N -0.78 1.64 -0.07 5.22 -0.71 -0.99 -4.47 117.98 117.81 3cdz s PHE 1963Ca -0.09 -0.73 0.02 0.00 -1.04 0.00 0.00 56.93 55.10 3cdz s PHE 1963Cb -0.05 -0.87 -0.03 0.00 -1.21 0.00 0.00 43.02 40.87 3cdz s PHE 1963CO -0.00 0.18 -0.11 -0.08 -1.34 0.00 0.00 175.22 173.87 3cdz s THR 1964N -3.17 3.30 0.02 -4.49 -1.32 -0.03 -1.43 115.64 108.52 3cdz s THR 1964Ca 0.24 -0.62 0.09 0.00 -1.21 0.00 0.00 61.69 60.19 3cdz s THR 1964Cb 0.03 -2.33 -0.03 0.00 -1.51 0.00 0.00 72.50 68.66 3cdz s THR 1964CO 0.07 0.58 -0.26 -0.69 -2.21 0.00 0.00 174.62 172.12 3cdz s VAL 1965N -0.59 2.17 0.29 5.08 1.01 -1.01 -2.70 120.40 124.65 3cdz s VAL 1965Ca 0.09 -1.28 0.06 0.00 0.00 0.00 0.00 61.98 60.84 3cdz s VAL 1965Cb -0.11 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 3cdz s VAL 1965CO 0.01 0.43 0.41 0.00 0.00 0.00 0.00 175.10 175.96 3cdz s ARG 1966N -1.05 3.26 0.00 2.72 3.03 -1.25 -0.69 118.95 124.97 3cdz s ARG 1966Ca 0.11 -0.90 0.00 0.00 2.03 0.00 0.00 55.73 56.98 3cdz s ARG 1966Cb -0.10 -2.84 0.00 0.00 -1.03 0.00 0.00 34.95 30.98 3cdz s ARG 1966CO 0.01 0.25 0.00 1.17 -1.13 0.00 0.00 175.30 175.60 3cdz n LYS 1967N -1.52 0.00 0.19 3.89 0.00 -1.26 -4.92 118.16 114.54 3cdz n LYS 1967Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.18 3cdz n LYS 1967Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.56 3cdz n LYS 1967CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 3cdz h LYS 1968N 0.00 -0.52 0.00 1.64 1.79 -1.95 -3.42 116.57 114.11 3cdz h LYS 1968Ca 0.00 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3cdz h LYS 1968Cb 0.00 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3cdz h LYS 1968CO 0.00 -0.35 0.00 0.39 -1.08 0.00 0.00 179.45 178.41 3cdz n GLU 1969N -3.65 3.78 -4.04 3.15 4.71 -1.26 -4.87 120.64 118.46 3cdz n GLU 1969Ca -0.07 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.78 3cdz n GLU 1969Cb 0.22 0.00 -0.16 0.00 -1.01 0.00 0.00 31.44 30.49 3cdz n GLU 1969CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3cdz s GLU 1970N 3.02 2.46 0.05 3.49 2.02 -1.26 -3.97 118.70 124.50 3cdz s GLU 1970Ca 0.00 -0.65 0.06 0.00 0.02 0.00 0.00 54.97 54.39 3cdz s GLU 1970Cb 0.00 -2.25 -0.02 0.00 0.10 0.00 0.00 34.13 31.96 3cdz s GLU 1970CO 0.00 -0.25 -0.16 1.52 0.02 0.00 0.00 175.26 176.39 3cdz s TYR 1971N 1.43 1.40 0.02 1.61 1.13 0.14 -4.94 117.35 118.14 3cdz s TYR 1971Ca 0.04 -0.37 -0.23 0.00 -1.41 0.00 0.00 57.07 55.11 3cdz s TYR 1971Cb -0.13 -0.83 -0.05 0.00 -1.10 0.00 0.00 41.96 39.85 3cdz s TYR 1971CO -0.11 0.06 0.68 0.21 -2.51 0.00 0.00 175.55 173.88 3cdz s LYS 1972N -1.23 4.40 0.02 -3.49 2.47 -1.26 -2.39 119.74 118.26 3cdz s LYS 1972Ca 0.03 0.89 -0.04 0.00 -1.56 0.00 0.00 55.97 55.29 3cdz s LYS 1972Cb -0.08 -3.35 -0.01 0.00 -1.46 0.00 0.00 37.83 32.92 3cdz s LYS 1972CO 0.02 0.32 0.06 -1.64 0.16 0.00 0.00 175.35 174.27 3cdz s MET 1973N -0.11 0.48 -0.10 4.03 -1.94 -0.52 -4.99 119.30 116.15 3cdz s MET 1973Ca 0.35 -0.64 0.16 0.00 -1.71 0.00 0.00 55.69 53.84 3cdz s MET 1973Cb -0.19 0.18 -0.23 0.00 2.01 0.00 0.00 34.83 36.60 3cdz s MET 1973CO 0.20 -0.11 0.20 0.00 -0.01 0.00 0.00 175.02 175.30 3cdz n ALA 1974N 1.17 2.07 -3.46 3.03 0.00 -1.26 -2.35 120.51 119.71 3cdz n ALA 1974Ca -0.21 -0.77 -0.16 0.00 0.00 0.00 0.00 53.44 52.30 3cdz n ALA 1974Cb 0.57 -0.32 -0.05 0.00 0.00 0.00 0.00 19.45 19.65 3cdz n ALA 1974CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3cdz s LEU 1975N -4.74 -0.52 -0.21 0.00 -0.00 -1.26 -4.36 118.68 107.58 3cdz s LEU 1975Ca -0.07 0.47 -0.01 0.00 -0.00 0.00 0.00 54.13 54.52 3cdz s LEU 1975Cb 0.08 2.46 0.06 0.00 -0.00 0.00 0.00 46.19 48.79 3cdz s LEU 1975CO 0.69 -0.70 0.00 -0.47 -0.00 0.00 0.00 176.35 175.87 3cdz s TYR 1976N -1.92 1.63 -0.85 3.48 6.14 -0.19 -4.94 117.35 120.70 3cdz s TYR 1976Ca -0.08 -1.26 -0.25 0.00 0.64 0.00 0.00 57.07 56.12 3cdz s TYR 1976Cb -0.00 -1.28 -0.17 0.00 0.42 0.00 0.00 41.96 40.93 3cdz s TYR 1976CO 0.03 -0.69 2.33 0.09 0.64 0.00 0.00 175.55 177.96 3cdz n ASN 1977N 4.88 1.53 -4.74 4.32 4.13 -1.26 -3.18 115.26 120.95 3cdz n ASN 1977Ca -0.10 -1.65 -0.42 0.00 1.68 0.00 0.00 54.58 54.09 3cdz n ASN 1977Cb 0.46 -1.62 -0.01 0.00 -1.54 0.00 0.00 39.78 37.06 3cdz n ASN 1977CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3cdz n LEU 1978N 18.32 4.17 -4.70 3.41 4.77 0.16 -4.90 117.00 138.23 3cdz n LEU 1978Ca 0.46 1.17 -0.23 0.00 -0.03 0.00 0.00 56.01 57.39 3cdz n LEU 1978Cb 0.43 -1.56 -0.06 0.00 -2.33 0.00 0.00 43.42 39.89 3cdz n LEU 1978CO 0.57 -0.02 -0.28 -0.31 -1.33 0.00 0.00 177.39 176.03 3cdz s TYR 1979N -0.39 2.81 -0.10 -1.77 1.51 -1.26 -2.31 117.35 115.84 3cdz s TYR 1979Ca 0.61 -0.20 -0.29 0.00 -1.01 0.00 0.00 57.07 56.18 3cdz s TYR 1979Cb -0.52 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 3cdz s TYR 1979CO 0.54 0.59 1.51 -1.25 -1.11 0.00 0.00 175.55 175.83 3cdz s PRO 1980N -3.73 4.18 0.00 -1.71 0.04 -1.26 -2.96 135.00 129.56 3cdz s PRO 1980Ca 0.32 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.33 3cdz s PRO 1980Cb -0.07 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.56 3cdz s PRO 1980CO 0.21 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.84 3cdz n GLY 1981N 3.98 0.56 3.25 0.56 0.00 -1.10 -4.99 105.19 107.45 3cdz n GLY 1981Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3cdz n GLY 1981CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cdz s VAL 1982N -2.00 3.60 -0.69 1.61 1.01 -1.15 -5.04 120.40 117.73 3cdz s VAL 1982Ca 0.00 -1.15 -0.13 0.00 0.00 0.00 0.00 61.98 60.69 3cdz s VAL 1982Cb 0.00 -3.03 0.18 0.00 0.00 0.00 0.00 36.38 33.53 3cdz s VAL 1982CO 0.00 -0.14 0.62 -0.36 0.00 0.00 0.00 175.10 175.23 3cdz s PHE 1983N 1.38 3.55 0.16 5.22 0.08 -1.26 -4.25 117.98 122.85 3cdz s PHE 1983Ca -0.02 -1.83 -0.30 0.00 0.12 0.00 0.00 56.93 54.90 3cdz s PHE 1983Cb -0.19 -3.74 -0.07 0.00 -0.57 0.00 0.00 43.02 38.45 3cdz s PHE 1983CO 0.02 -0.99 0.94 -1.21 -0.10 0.00 0.00 175.22 173.88 3cdz s GLU 1984N 0.68 4.75 -0.12 0.44 0.41 0.29 -4.50 118.70 120.65 3cdz s GLU 1984Ca 0.12 1.45 0.02 0.00 -0.41 0.00 0.00 54.97 56.15 3cdz s GLU 1984Cb -0.18 -3.34 -0.01 0.00 -1.78 0.00 0.00 34.13 28.82 3cdz s GLU 1984CO -0.04 0.34 -0.17 0.95 -0.49 0.00 0.00 175.26 175.84 3cdz s THR 1985N -0.46 2.67 -0.07 3.63 -4.23 -1.26 -0.99 115.64 114.93 3cdz s THR 1985Ca 0.44 -0.80 -0.08 0.00 -1.18 0.00 0.00 61.69 60.07 3cdz s THR 1985Cb -0.24 -2.09 0.02 0.00 1.34 0.00 0.00 72.50 71.53 3cdz s THR 1985CO 0.30 0.54 0.22 0.54 -0.54 0.00 0.00 174.62 175.68 3cdz s VAL 1986N 0.32 0.01 0.13 2.29 0.11 -0.67 -4.63 120.40 117.95 3cdz s VAL 1986Ca -0.13 -0.11 0.10 0.00 -2.93 0.00 0.00 61.98 58.91 3cdz s VAL 1986Cb -0.17 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 3cdz s VAL 1986CO 0.07 -0.06 -0.24 -1.61 -3.33 0.00 0.00 175.10 169.93 3cdz s GLU 1987N -0.15 1.52 0.11 1.54 2.02 -1.10 0.18 118.70 122.82 3cdz s GLU 1987Ca -0.03 -1.31 -0.14 0.00 0.02 0.00 0.00 54.97 53.52 3cdz s GLU 1987Cb -0.03 -1.96 0.02 0.00 0.10 0.00 0.00 34.13 32.27 3cdz s GLU 1987CO 0.01 0.46 0.33 0.00 0.02 0.00 0.00 175.26 176.07 3cdz s MET 1988N -2.12 0.97 -0.64 1.61 0.23 -0.73 -0.85 119.30 117.77 3cdz s MET 1988Ca 0.16 -0.77 0.03 0.00 -1.03 0.00 0.00 55.69 54.08 3cdz s MET 1988Cb -0.10 0.42 0.16 0.00 -1.53 0.00 0.00 34.83 33.78 3cdz s MET 1988CO 0.07 -0.36 0.42 -1.17 -2.03 0.00 0.00 175.02 171.96 3cdz s LEU 1989N -2.76 4.71 0.00 0.18 0.20 -1.26 -1.37 118.68 118.38 3cdz s LEU 1989Ca 0.03 -3.42 -0.02 0.00 0.69 0.00 0.00 54.13 51.40 3cdz s LEU 1989Cb 0.03 -1.68 -0.11 0.00 -0.43 0.00 0.00 46.19 44.00 3cdz s LEU 1989CO -0.11 -0.17 1.80 -0.81 -0.29 0.00 0.00 176.35 176.77 3cdz n PRO 1990N 2.58 0.84 0.00 0.98 -0.04 -1.26 -4.71 135.00 133.39 3cdz n PRO 1990Ca 0.13 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 3cdz n PRO 1990Cb 0.34 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 3cdz n PRO 1990CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3cdz n SER 1991N 2.72 0.04 -4.19 3.54 7.64 -1.25 -4.38 113.62 117.74 3cdz n SER 1991Ca 0.18 -0.10 -0.35 0.00 1.01 0.00 0.00 58.87 59.61 3cdz n SER 1991Cb 0.39 -0.02 -0.14 0.00 -1.01 0.00 0.00 64.21 63.43 3cdz n SER 1991CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3cdz s LYS 1992N -1.15 2.74 0.71 1.43 -0.14 -1.26 -5.10 119.74 116.97 3cdz s LYS 1992Ca 0.00 -1.04 -0.11 0.00 -1.36 0.00 0.00 55.97 53.45 3cdz s LYS 1992Cb 0.00 -3.03 0.02 0.00 -1.68 0.00 0.00 37.83 33.13 3cdz s LYS 1992CO 0.00 -0.45 1.08 0.00 -0.76 0.00 0.00 175.35 175.22 3cdz s ALA 1993N 1.31 2.73 0.00 5.17 0.00 -1.26 -4.88 121.76 124.83 3cdz s ALA 1993Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.77 3cdz s ALA 1993Cb -0.17 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3cdz s ALA 1993CO -0.04 -1.22 0.00 0.41 0.00 0.00 0.00 175.76 174.92 3cdz n GLY 1994N -2.53 -0.22 2.97 0.00 0.00 -0.31 -5.00 105.19 100.09 3cdz n GLY 1994Ca 0.07 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.66 3cdz n GLY 1994CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3cdz s ILE 1995N 0.00 1.48 0.00 -0.61 1.10 -1.26 -0.80 121.20 121.11 3cdz s ILE 1995Ca 0.00 -0.84 0.00 0.00 -0.51 0.00 0.00 60.65 59.30 3cdz s ILE 1995Cb 0.00 -1.55 0.00 0.00 0.15 0.00 0.00 42.46 41.06 3cdz s ILE 1995CO 0.00 0.21 0.00 0.79 -2.11 0.00 0.00 174.94 173.83 3cdz n TRP 1996N 4.75 0.00 -3.48 3.50 7.02 0.22 -4.98 117.44 124.46 3cdz n TRP 1996Ca -0.14 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.23 3cdz n TRP 1996Cb 0.47 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.34 3cdz n TRP 1996CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3cdz s ARG 1997N 1.79 0.96 -0.08 -0.99 3.00 -1.26 -0.92 118.95 121.46 3cdz s ARG 1997Ca 0.00 -0.28 -0.02 0.00 -1.00 0.00 0.00 55.73 54.43 3cdz s ARG 1997Cb 0.00 0.45 -0.03 0.00 0.00 0.00 0.00 34.95 35.36 3cdz s ARG 1997CO 0.00 -0.41 0.00 0.14 0.00 0.00 0.00 175.30 175.03 3cdz s VAL 1998N -3.04 4.30 -0.12 7.11 -7.23 -1.16 -3.28 120.40 116.99 3cdz s VAL 1998Ca 0.02 -0.27 -0.07 0.00 -1.81 0.00 0.00 61.98 59.85 3cdz s VAL 1998Cb -0.01 -2.81 0.05 0.00 0.56 0.00 0.00 36.38 34.16 3cdz s VAL 1998CO -0.08 0.59 0.30 -1.83 -0.31 0.00 0.00 175.10 173.77 3cdz s GLU 1999N -0.92 0.29 -0.43 4.82 -1.05 -1.11 -2.16 118.70 118.14 3cdz s GLU 1999Ca 0.14 0.57 -0.28 0.00 -0.15 0.00 0.00 54.97 55.24 3cdz s GLU 1999Cb -0.11 -0.03 -0.00 0.00 -0.44 0.00 0.00 34.13 33.55 3cdz s GLU 1999CO 0.03 -0.13 1.57 0.00 0.95 0.00 0.00 175.26 177.68 3cdz n LEU 2001N 9.79 0.00 -4.56 0.00 7.94 0.21 -3.64 117.00 126.74 3cdz n LEU 2001Ca 0.18 0.25 -0.28 0.00 -1.11 0.00 0.00 56.01 55.05 3cdz n LEU 2001Cb 0.48 -0.25 -0.05 0.00 0.53 0.00 0.00 43.42 44.14 3cdz n LEU 2001CO 0.70 -0.20 1.36 -0.63 -1.11 0.00 0.00 177.39 177.51 3cdz s ILE 2002N -2.50 3.49 0.00 1.96 1.01 -1.26 -4.86 121.20 119.05 3cdz s ILE 2002Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3cdz s ILE 2002Cb 0.04 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.40 3cdz s ILE 2002CO 0.09 -1.02 0.00 0.61 0.00 0.00 0.00 174.94 174.61 3cdz n GLY 2003N 6.81 0.00 0.25 6.18 0.00 -1.26 0.16 105.19 117.33 3cdz n GLY 2003Ca 0.40 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.56 3cdz n GLY 2003CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3cdz h GLU 2004N 0.00 0.00 -0.02 1.61 5.08 -1.93 -2.79 114.58 116.54 3cdz h GLU 2004Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3cdz h GLU 2004Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 3cdz h GLU 2004CO 0.00 0.05 -0.42 0.45 -1.00 0.00 0.00 179.01 178.09 3cdz h HIS 2005N 0.00 0.46 -0.75 4.33 3.86 0.12 -3.29 115.15 119.89 3cdz h HIS 2005Ca -0.00 -0.24 0.07 0.00 -1.16 0.00 0.00 60.37 59.05 3cdz h HIS 2005Cb 0.68 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 29.03 3cdz h HIS 2005CO 0.00 1.03 0.42 1.25 0.86 0.00 0.00 177.93 181.50 3cdz h LEU 2006N -0.24 0.62 -0.03 2.43 7.12 -1.49 -2.70 115.31 121.01 3cdz h LEU 2006Ca -0.05 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.00 3cdz h LEU 2006Cb 1.14 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.18 3cdz h LEU 2006CO 0.08 0.38 0.00 1.41 -0.13 0.00 0.00 178.44 180.19 3cdz n HIS 2007N -4.76 0.00 -2.85 1.25 8.25 -1.07 -2.52 115.22 113.52 3cdz n HIS 2007Ca 0.11 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.45 3cdz n HIS 2007Cb 0.22 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.37 3cdz n HIS 2007CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3cdz n ALA 2008N -0.48 1.57 0.00 -1.41 0.00 -1.02 -5.06 120.51 114.10 3cdz n ALA 2008Ca 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 53.44 50.97 3cdz n ALA 2008Cb 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3cdz n ALA 2008CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cdz n GLY 2009N 0.04 0.78 0.00 0.00 0.00 -1.05 -4.36 105.19 100.60 3cdz n GLY 2009Ca 0.11 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3cdz n GLY 2009CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cdz n MET 2010N 0.00 5.63 -0.85 1.61 2.00 -1.24 -4.58 117.12 119.69 3cdz n MET 2010Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.27 3cdz n MET 2010Cb 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 33.22 32.64 3cdz n MET 2010CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3cdz n SER 2011N -0.03 1.74 -4.08 7.83 2.88 -1.26 -4.16 113.62 116.54 3cdz n SER 2011Ca 0.00 -2.59 -0.35 0.00 -1.33 0.00 0.00 58.87 54.61 3cdz n SER 2011Cb 0.00 -0.83 -0.12 0.00 -0.75 0.00 0.00 64.21 62.52 3cdz n SER 2011CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3cdz s THR 2012N 6.37 3.18 0.55 2.46 2.01 -0.92 -4.21 115.64 125.07 3cdz s THR 2012Ca 0.64 -2.54 -0.18 0.00 0.31 0.00 0.00 61.69 59.92 3cdz s THR 2012Cb 0.14 -3.16 -0.10 0.00 0.01 0.00 0.00 72.50 69.39 3cdz s THR 2012CO 0.24 -0.75 0.41 0.00 -0.69 0.00 0.00 174.62 173.82 3cdz n LEU 2013N 4.01 -0.08 -3.92 4.42 -0.00 -1.26 -2.98 117.00 117.19 3cdz n LEU 2013Ca 0.03 0.73 -0.11 0.00 -0.00 0.00 0.00 56.01 56.66 3cdz n LEU 2013Cb 0.39 -1.11 -0.12 0.00 -0.00 0.00 0.00 43.42 42.58 3cdz n LEU 2013CO 0.32 -3.37 -0.34 0.72 -0.00 0.00 0.00 177.39 174.72 3cdz s PHE 2014N -1.76 0.12 -0.08 1.47 -0.00 -0.09 -4.75 117.98 112.89 3cdz s PHE 2014Ca 0.66 -0.24 0.03 0.00 -0.00 0.00 0.00 56.93 57.39 3cdz s PHE 2014Cb -0.46 -0.09 -0.02 0.00 -0.00 0.00 0.00 43.02 42.45 3cdz s PHE 2014CO 0.57 -0.11 -0.18 -1.17 -0.00 0.00 0.00 175.22 174.32 3cdz s LEU 2015N -0.77 2.46 -0.15 -1.99 2.96 -0.97 0.69 118.68 120.91 3cdz s LEU 2015Ca -0.08 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3cdz s LEU 2015Cb -0.05 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 45.14 3cdz s LEU 2015CO -0.00 0.25 -0.19 0.68 -1.32 0.00 0.00 176.35 175.76 3cdz s VAL 2016N -0.15 2.27 0.20 1.68 -7.23 0.02 -2.79 120.40 114.41 3cdz s VAL 2016Ca -0.02 -0.90 0.06 0.00 -1.81 0.00 0.00 61.98 59.31 3cdz s VAL 2016Cb -0.14 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 3cdz s VAL 2016CO 0.04 0.53 0.16 -0.72 -0.31 0.00 0.00 175.10 174.80 3cdz s TYR 2017N 0.90 3.12 0.29 2.82 -0.85 -1.15 -1.17 117.35 121.32 3cdz s TYR 2017Ca -0.04 -0.06 -0.09 0.00 -0.52 0.00 0.00 57.07 56.35 3cdz s TYR 2017Cb -0.15 -1.46 -0.07 0.00 0.38 0.00 0.00 41.96 40.66 3cdz s TYR 2017CO -0.03 0.52 0.62 -1.12 -1.52 0.00 0.00 175.55 174.02 3cdz s SER 2018N -3.42 6.58 0.00 -0.18 0.01 -1.26 -0.70 113.70 114.73 3cdz s SER 2018Ca 0.32 0.96 0.10 0.00 1.31 0.00 0.00 55.95 58.64 3cdz s SER 2018Cb -0.09 -2.24 0.21 0.00 0.21 0.00 0.00 66.02 64.10 3cdz s SER 2018CO 0.24 -0.18 1.08 -0.46 0.41 0.00 0.00 173.24 174.32 3cdz n ASN 2019N -0.58 2.47 -0.08 2.44 0.23 -1.26 -3.95 115.26 114.53 3cdz n ASN 2019Ca 0.01 -1.77 0.15 0.00 -0.53 0.00 0.00 54.58 52.44 3cdz n ASN 2019Cb 0.53 -0.13 0.82 0.00 -2.08 0.00 0.00 39.78 38.92 3cdz n ASN 2019CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3cdz n LYS 2020N 0.51 0.97 -3.48 -3.83 5.02 -1.26 -4.65 118.16 111.44 3cdz n LYS 2020Ca 0.09 -0.17 -0.39 0.00 -2.02 0.00 0.00 58.31 55.82 3cdz n LYS 2020Cb 0.35 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.77 3cdz n LYS 2020CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cdz s GLN 2022N 1.90 0.37 0.15 0.00 0.74 -1.26 -4.81 119.66 116.75 3cdz s GLN 2022Ca 0.10 0.07 0.08 0.00 0.05 0.00 0.00 55.36 55.66 3cdz s GLN 2022Cb -0.16 0.09 -0.04 0.00 1.10 0.00 0.00 33.01 34.00 3cdz s GLN 2022CO 0.11 -0.60 -0.10 -0.08 -0.55 0.00 0.00 175.29 174.07 3cdz s THR 2023N 2.39 3.21 -0.01 -0.34 -1.32 -0.75 -4.84 115.64 113.99 3cdz s THR 2023Ca 0.18 -1.54 -0.38 0.00 -1.21 0.00 0.00 61.69 58.74 3cdz s THR 2023Cb -0.02 -2.56 -0.17 0.00 -1.51 0.00 0.00 72.50 68.24 3cdz s THR 2023CO -0.18 -0.03 1.40 -2.65 -2.21 0.00 0.00 174.62 170.95 3cdz n PRO 2024N 0.28 0.99 0.00 7.08 -0.02 -1.26 -2.20 135.00 139.87 3cdz n PRO 2024Ca -0.12 0.36 0.04 0.00 -2.02 0.00 0.00 63.50 61.76 3cdz n PRO 2024Cb 0.54 -1.99 0.23 0.00 -0.02 0.00 0.00 33.50 32.26 3cdz n PRO 2024CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3cdz n LEU 2025N 3.01 0.00 -0.69 2.45 4.77 0.31 -4.87 117.00 121.97 3cdz n LEU 2025Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3cdz n LEU 2025Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3cdz n LEU 2025CO 0.66 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 3cdz n GLY 2026N 0.09 -0.95 0.00 -0.72 0.00 -1.26 -4.87 105.19 97.49 3cdz n GLY 2026Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3cdz n GLY 2026CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cdz n MET 2027N -0.08 1.25 -0.09 1.61 2.81 -1.26 -3.75 117.12 117.62 3cdz n MET 2027Ca 0.00 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.76 3cdz n MET 2027Cb 0.00 -0.92 -0.06 0.00 -0.71 0.00 0.00 33.22 31.52 3cdz n MET 2027CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3cdz h ALA 2028N 0.00 0.12 -0.75 3.04 0.00 -1.94 -3.42 119.26 116.32 3cdz h ALA 2028Ca 0.00 -0.82 -0.70 0.00 0.00 0.00 0.00 54.91 53.40 3cdz h ALA 2028Cb 0.11 0.58 -0.17 0.00 0.00 0.00 0.00 17.79 18.31 3cdz h ALA 2028CO 0.00 0.56 1.58 0.43 0.00 0.00 0.00 179.25 181.83 3cdz n SER 2029N -4.54 7.51 0.00 0.00 7.64 -1.26 -4.68 113.62 118.29 3cdz n SER 2029Ca -0.19 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.39 3cdz n SER 2029Cb 0.45 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 3cdz n SER 2029CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cdz n GLY 2030N 1.03 0.33 3.15 0.23 0.00 -1.25 -4.38 105.19 104.31 3cdz n GLY 2030Ca 0.56 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.63 3cdz n GLY 2030CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3cdz s HIS 2031N 0.00 -0.92 0.25 1.61 -0.00 -1.26 -5.02 115.29 109.95 3cdz s HIS 2031Ca 0.00 0.56 -0.08 0.00 -0.00 0.00 0.00 55.06 55.55 3cdz s HIS 2031Cb 0.00 0.17 0.41 0.00 -0.00 0.00 0.00 32.58 33.15 3cdz s HIS 2031CO 0.00 -0.54 1.41 -0.89 -0.00 0.00 0.00 174.74 174.73 3cdz n ILE 2032N 5.23 -0.39 -3.21 -5.38 5.41 -1.26 -2.40 119.36 117.36 3cdz n ILE 2032Ca 0.07 2.08 -0.20 0.00 1.00 0.00 0.00 62.75 65.70 3cdz n ILE 2032Cb 0.56 -2.87 -0.07 0.00 -0.71 0.00 0.00 39.64 36.56 3cdz n ILE 2032CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3cdz s ARG 2033N -6.13 0.93 0.00 0.38 0.52 -1.26 -4.83 118.95 108.56 3cdz s ARG 2033Ca -0.14 -1.75 0.00 0.00 -0.52 0.00 0.00 55.73 53.32 3cdz s ARG 2033Cb 0.24 -1.00 0.00 0.00 0.52 0.00 0.00 34.95 34.71 3cdz s ARG 2033CO 0.70 -1.36 0.00 -3.47 0.02 0.00 0.00 175.30 171.19 3cdz n ASP 2034N 2.94 0.00 -4.09 0.23 -0.08 -1.01 -4.98 116.55 109.56 3cdz n ASP 2034Ca 0.26 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.45 3cdz n ASP 2034Cb 0.50 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.86 3cdz n ASP 2034CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 3cdz s PHE 2035N 0.00 0.59 0.00 -0.67 0.40 -1.26 -5.00 117.98 112.03 3cdz s PHE 2035Ca 0.00 -0.87 0.00 0.00 -0.60 0.00 0.00 56.93 55.46 3cdz s PHE 2035Cb 0.00 -0.39 0.00 0.00 0.51 0.00 0.00 43.02 43.14 3cdz s PHE 2035CO 0.00 -0.25 0.00 0.00 0.70 0.00 0.00 175.22 175.67 3cdz n GLN 2036N 0.48 0.00 0.00 0.44 10.64 -1.02 -4.67 117.38 123.25 3cdz n GLN 2036Ca -0.16 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.01 3cdz n GLN 2036Cb 0.59 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.97 3cdz n GLN 2036CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3cdz n ILE 2037N -0.69 0.00 -1.57 -0.39 -0.00 -1.26 0.95 119.36 116.40 3cdz n ILE 2037Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 3cdz n ILE 2037Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 3cdz n ILE 2037CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 3cdz n THR 2038N 0.00 0.00 0.00 7.28 5.66 -1.26 -5.00 114.28 120.96 3cdz n THR 2038Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3cdz n THR 2038Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3cdz n THR 2038CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3cdz n ALA 2039N 0.00 0.00 -1.90 1.79 0.00 -1.26 -5.08 120.51 114.06 3cdz n ALA 2039Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3cdz n ALA 2039Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 3cdz n ALA 2039CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3cdz s SER 2040N -0.85 5.06 0.00 0.00 1.04 -1.26 -4.61 113.70 113.08 3cdz s SER 2040Ca 0.00 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.02 3cdz s SER 2040Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 3cdz s SER 2040CO 0.00 -2.49 0.00 0.61 0.98 0.00 0.00 173.24 172.34 3cdz n GLY 2041N 5.77 2.94 3.64 7.32 0.00 -1.26 -4.53 105.19 119.07 3cdz n GLY 2041Ca 0.25 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 3cdz n GLY 2041CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3cdz s GLN 2042N -2.56 0.28 0.00 1.61 2.00 -1.25 -4.70 119.66 115.04 3cdz s GLN 2042Ca 0.00 0.39 0.00 0.00 -2.00 0.00 0.00 55.36 53.75 3cdz s GLN 2042Cb 0.00 0.10 0.00 0.00 0.80 0.00 0.00 33.01 33.91 3cdz s GLN 2042CO 0.00 -0.04 0.00 0.98 -0.50 0.00 0.00 175.29 175.73 3cdz n TYR 2043N 2.64 0.00 0.00 1.67 4.19 -1.20 -4.23 117.16 120.22 3cdz n TYR 2043Ca -0.15 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.06 3cdz n TYR 2043Cb 0.57 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.40 3cdz n TYR 2043CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3cdz n GLY 2044N 0.00 -0.01 3.56 2.98 0.00 -1.26 -3.85 105.19 106.60 3cdz n GLY 2044Ca 0.00 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 3cdz n GLY 2044CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3cdz s GLN 2045N 0.00 1.91 0.00 1.61 0.74 -1.26 -4.91 119.66 117.75 3cdz s GLN 2045Ca 0.00 0.50 0.00 0.00 0.05 0.00 0.00 55.36 55.91 3cdz s GLN 2045Cb 0.00 -4.78 0.00 0.00 1.10 0.00 0.00 33.01 29.33 3cdz s GLN 2045CO 0.00 -3.97 0.00 1.87 -0.55 0.00 0.00 175.29 172.64 3cdz n TRP 2046N 17.04 -2.41 0.00 1.67 -0.00 -1.25 -4.63 117.44 127.87 3cdz n TRP 2046Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.92 3cdz n TRP 2046Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.77 3cdz n TRP 2046CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3cdz n ALA 2047N -3.00 0.00 -0.80 5.87 0.00 -1.26 -4.26 120.51 117.06 3cdz n ALA 2047Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3cdz n ALA 2047Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 3cdz n ALA 2047CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3cdz n PRO 2048N -0.20 -0.77 0.00 0.00 -0.02 -1.26 -3.65 135.00 129.10 3cdz n PRO 2048Ca 0.00 -0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 3cdz n PRO 2048Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3cdz n PRO 2048CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3cdz n LYS 2049N -0.74 0.00 -1.28 -0.52 4.81 -1.26 -4.78 118.16 114.38 3cdz n LYS 2049Ca 0.02 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.42 3cdz n LYS 2049Cb 0.61 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.65 3cdz n LYS 2049CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 3cdz n LEU 2050N 0.00 -0.82 -2.19 3.14 -0.00 -1.24 -4.69 117.00 111.21 3cdz n LEU 2050Ca 0.00 -1.77 -0.28 0.00 -0.00 0.00 0.00 56.01 53.96 3cdz n LEU 2050Cb 0.00 0.10 0.13 0.00 -0.00 0.00 0.00 43.42 43.64 3cdz n LEU 2050CO 0.00 1.31 1.26 0.00 -0.00 0.00 0.00 177.39 179.96 3cdz n ALA 2051N -0.32 5.83 -2.08 1.47 0.00 -1.26 -1.81 120.51 122.34 3cdz n ALA 2051Ca -0.18 -3.24 -0.26 0.00 0.00 0.00 0.00 53.44 49.76 3cdz n ALA 2051Cb 0.63 -1.49 0.04 0.00 0.00 0.00 0.00 19.45 18.63 3cdz n ALA 2051CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3cdz s ARG 2052N -3.56 2.79 0.37 0.00 3.00 -1.26 -1.94 118.95 118.35 3cdz s ARG 2052Ca 0.60 -0.16 -0.27 0.00 0.00 0.00 0.00 55.73 55.89 3cdz s ARG 2052Cb 0.48 -2.31 -0.09 0.00 0.00 0.00 0.00 34.95 33.03 3cdz s ARG 2052CO 0.04 -0.73 1.28 -1.17 0.00 0.00 0.00 175.30 174.72 3cdz s LEU 2053N -4.96 4.31 0.00 2.53 2.96 -1.12 -3.56 118.68 118.84 3cdz s LEU 2053Ca 0.54 2.62 0.00 0.00 -0.22 0.00 0.00 54.13 57.08 3cdz s LEU 2053Cb -0.10 -3.81 0.00 0.00 0.50 0.00 0.00 46.19 42.78 3cdz s LEU 2053CO 0.44 -0.68 0.00 1.41 -1.32 0.00 0.00 176.35 176.20 3cdz n HIS 2054N 0.42 0.00 -1.54 5.38 8.25 -1.26 -4.86 115.22 121.61 3cdz n HIS 2054Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 3cdz n HIS 2054Cb 0.43 -0.62 -0.05 0.00 1.12 0.00 0.00 29.99 30.87 3cdz n HIS 2054CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3cdz n TYR 2055N -2.00 1.65 -1.88 4.41 9.36 -1.23 -4.93 117.16 122.52 3cdz n TYR 2055Ca 0.00 0.06 -0.32 0.00 3.32 0.00 0.00 57.90 60.96 3cdz n TYR 2055Cb 0.00 -2.64 0.02 0.00 -0.63 0.00 0.00 39.34 36.09 3cdz n TYR 2055CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3cdz s SER 2056N 9.35 5.66 0.00 2.98 0.15 -1.26 -4.83 113.70 125.76 3cdz s SER 2056Ca 1.04 1.74 0.00 0.00 0.70 0.00 0.00 55.95 59.43 3cdz s SER 2056Cb -0.45 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.34 3cdz s SER 2056CO 0.36 -1.25 0.00 0.61 1.20 0.00 0.00 173.24 174.16 3cdz n GLY 2057N -1.36 0.81 0.12 9.45 0.00 -1.26 -4.85 105.19 108.10 3cdz n GLY 2057Ca 0.08 -2.19 -0.17 0.00 0.00 0.00 0.00 46.02 43.75 3cdz n GLY 2057CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cdz n SER 2058N 1.04 1.59 -2.15 1.61 3.41 -1.26 -4.51 113.62 113.35 3cdz n SER 2058Ca 0.00 0.15 -0.17 0.00 -0.26 0.00 0.00 58.87 58.59 3cdz n SER 2058Cb 0.00 -0.38 -0.13 0.00 -0.26 0.00 0.00 64.21 63.44 3cdz n SER 2058CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3cdz n ILE 2059N -3.26 3.09 -3.95 -1.33 -5.35 -1.26 -4.94 119.36 102.36 3cdz n ILE 2059Ca -0.32 -1.97 -0.31 0.00 -0.27 0.00 0.00 62.75 59.88 3cdz n ILE 2059Cb 1.05 -1.86 -0.15 0.00 -1.74 0.00 0.00 39.64 36.93 3cdz n ILE 2059CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3cdz s ASN 2060N 1.46 4.15 0.00 7.28 4.22 -1.26 -4.93 114.94 125.86 3cdz s ASN 2060Ca 0.64 -1.46 0.00 0.00 -2.14 0.00 0.00 52.86 49.89 3cdz s ASN 2060Cb 0.34 -1.29 0.00 0.00 1.28 0.00 0.00 41.25 41.58 3cdz s ASN 2060CO -0.07 -0.28 0.00 0.00 -2.04 0.00 0.00 177.10 174.71 3cdz n ALA 2061N 4.57 0.00 -2.54 3.54 0.00 -0.75 -4.88 120.51 120.44 3cdz n ALA 2061Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.07 3cdz n ALA 2061Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 3cdz n ALA 2061CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3cdz s TRP 2062N -0.15 3.47 -0.34 0.00 -0.00 0.40 -4.57 118.94 117.76 3cdz s TRP 2062Ca 0.00 0.64 0.04 0.00 -0.00 0.00 0.00 56.10 56.77 3cdz s TRP 2062Cb 0.00 -2.09 0.19 0.00 -0.00 0.00 0.00 33.47 31.57 3cdz s TRP 2062CO 0.00 0.24 0.69 -1.54 -0.00 0.00 0.00 176.95 176.34 3cdz s SER 2063N -2.96 -1.37 -0.16 5.86 1.04 -1.26 -2.30 113.70 112.56 3cdz s SER 2063Ca 0.44 -0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.62 3cdz s SER 2063Cb -0.11 1.80 0.08 0.00 0.10 0.00 0.00 66.02 67.89 3cdz s SER 2063CO 0.28 -0.21 0.31 -0.89 0.98 0.00 0.00 173.24 173.71 3cdz s THR 2064N 2.43 -0.48 -1.31 2.02 2.01 -0.91 -3.24 115.64 116.16 3cdz s THR 2064Ca 0.14 0.21 -0.17 0.00 0.31 0.00 0.00 61.69 62.19 3cdz s THR 2064Cb -0.06 -0.53 0.08 0.00 0.01 0.00 0.00 72.50 71.99 3cdz s THR 2064CO -0.18 0.08 1.77 2.29 -0.69 0.00 0.00 174.62 177.89 3cdz n LYS 2065N 5.36 3.18 -3.62 4.92 2.85 -1.26 -2.67 118.16 126.92 3cdz n LYS 2065Ca -0.07 -3.25 -0.26 0.00 -1.05 0.00 0.00 58.31 53.68 3cdz n LYS 2065Cb 0.50 -3.43 -0.17 0.00 -0.65 0.00 0.00 35.03 31.28 3cdz n LYS 2065CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3cdz s GLU 2066N 3.85 0.10 0.54 -1.58 2.56 -1.26 -5.01 118.70 117.90 3cdz s GLU 2066Ca 0.52 -0.11 0.27 0.00 0.00 0.00 0.00 54.97 55.65 3cdz s GLU 2066Cb 0.05 -1.85 1.43 0.00 2.00 0.00 0.00 34.13 35.76 3cdz s GLU 2066CO 0.05 -0.67 1.98 -1.35 -0.56 0.00 0.00 175.26 174.71 3cdz h PRO 2067N 8.41 0.00 -4.33 4.30 0.11 -2.01 -3.29 132.00 135.19 3cdz h PRO 2067Ca -0.15 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.28 3cdz h PRO 2067Cb 1.15 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.89 3cdz h PRO 2067CO 0.29 0.00 -0.59 -0.06 -0.21 0.00 0.00 178.00 177.44 3cdz s PHE 2068N -4.96 3.58 0.35 0.65 0.40 -1.26 -5.02 117.98 111.73 3cdz s PHE 2068Ca -0.05 -2.72 0.03 0.00 -0.60 0.00 0.00 56.93 53.59 3cdz s PHE 2068Cb 0.19 -3.09 -0.05 0.00 0.51 0.00 0.00 43.02 40.59 3cdz s PHE 2068CO 0.72 -0.93 0.09 -1.12 0.70 0.00 0.00 175.22 174.68 3cdz s SER 2069N 1.18 2.34 0.00 1.36 0.01 -1.24 -4.88 113.70 112.47 3cdz s SER 2069Ca 0.11 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.87 3cdz s SER 2069Cb -0.22 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.22 3cdz s SER 2069CO -0.05 -0.76 0.00 -2.67 0.41 0.00 0.00 173.24 170.17 3cdz n TRP 2070N -0.74 0.00 -4.41 2.43 4.27 -1.26 -4.50 117.44 113.23 3cdz n TRP 2070Ca -0.03 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.36 3cdz n TRP 2070Cb 0.66 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.51 3cdz n TRP 2070CO 0.00 0.00 0.00 0.96 -2.29 0.00 0.00 177.69 176.36 3cdz s ILE 2071N -1.97 2.14 -0.04 -1.67 -5.25 -0.92 -4.67 121.20 108.81 3cdz s ILE 2071Ca 0.00 -2.27 -0.01 0.00 -0.99 0.00 0.00 60.65 57.38 3cdz s ILE 2071Cb 0.00 -2.15 0.03 0.00 2.95 0.00 0.00 42.46 43.29 3cdz s ILE 2071CO 0.00 -0.45 0.08 -0.75 -1.79 0.00 0.00 174.94 172.03 3cdz s LYS 2072N -3.44 0.01 -0.24 0.37 2.20 0.27 -1.58 119.74 117.33 3cdz s LYS 2072Ca 0.25 0.27 0.02 0.00 -0.36 0.00 0.00 55.97 56.16 3cdz s LYS 2072Cb -0.04 -0.23 0.05 0.00 -1.51 0.00 0.00 37.83 36.10 3cdz s LYS 2072CO 0.11 -0.18 -0.13 0.14 -0.36 0.00 0.00 175.35 174.93 3cdz s VAL 2073N 1.18 2.14 -0.62 4.02 -7.23 -0.98 -2.44 120.40 116.46 3cdz s VAL 2073Ca -0.08 -1.45 -0.28 0.00 -1.81 0.00 0.00 61.98 58.36 3cdz s VAL 2073Cb -0.12 -2.16 0.02 0.00 0.56 0.00 0.00 36.38 34.67 3cdz s VAL 2073CO -0.04 0.13 1.40 -0.62 -0.31 0.00 0.00 175.10 175.66 3cdz s ASP 2074N 1.15 6.08 0.00 4.85 -1.08 -1.26 -3.29 116.67 123.12 3cdz s ASP 2074Ca -0.05 0.07 0.14 0.00 -0.52 0.00 0.00 52.55 52.19 3cdz s ASP 2074Cb -0.18 -2.55 0.85 0.00 -1.46 0.00 0.00 42.92 39.58 3cdz s ASP 2074CO -0.07 -1.79 1.31 0.18 0.52 0.00 0.00 175.17 175.31 3cdz n LEU 2075N 9.74 0.00 -1.69 -1.34 4.77 0.87 -4.87 117.00 124.48 3cdz n LEU 2075Ca 0.10 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.94 3cdz n LEU 2075Cb 0.49 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 3cdz n LEU 2075CO 0.71 0.00 -0.14 0.18 -1.33 0.00 0.00 177.39 176.81 3cdz n LEU 2076N -0.86 -1.09 0.00 2.23 7.99 -1.26 -4.85 117.00 119.17 3cdz n LEU 2076Ca 0.11 0.29 0.00 0.00 -0.01 0.00 0.00 56.01 56.40 3cdz n LEU 2076Cb 0.05 -2.13 0.00 0.00 -0.11 0.00 0.00 43.42 41.23 3cdz n LEU 2076CO 0.08 -0.56 0.00 0.00 -1.51 0.00 0.00 177.39 175.40 3cdz n ALA 2077N -0.19 0.00 -1.68 -1.18 0.00 -1.26 -5.12 120.51 111.09 3cdz n ALA 2077Ca -0.15 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 52.82 3cdz n ALA 2077Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 3cdz n ALA 2077CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3cdz n PRO 2078N -0.27 2.33 -4.19 0.00 -0.04 -1.26 -4.41 135.00 127.16 3cdz n PRO 2078Ca 0.00 0.85 -0.16 0.00 -0.04 0.00 0.00 63.50 64.15 3cdz n PRO 2078Cb 0.00 -2.72 -0.11 0.00 -0.04 0.00 0.00 33.50 30.63 3cdz n PRO 2078CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3cdz s MET 2079N 4.11 0.88 -0.21 0.54 -1.94 0.73 -4.69 119.30 118.73 3cdz s MET 2079Ca 0.92 -1.13 -0.21 0.00 -1.71 0.00 0.00 55.69 53.56 3cdz s MET 2079Cb -0.64 -0.68 -0.02 0.00 2.01 0.00 0.00 34.83 35.50 3cdz s MET 2079CO 0.49 0.12 0.64 0.42 -0.01 0.00 0.00 175.02 176.68 3cdz s ILE 2080N -2.12 5.01 -0.33 2.53 1.01 -0.56 -1.65 121.20 125.09 3cdz s ILE 2080Ca 0.05 1.19 -0.01 0.00 0.00 0.00 0.00 60.65 61.88 3cdz s ILE 2080Cb -0.05 -3.95 0.07 0.00 0.01 0.00 0.00 42.46 38.54 3cdz s ILE 2080CO 0.01 0.09 0.05 0.27 0.00 0.00 0.00 174.94 175.37 3cdz s ILE 2081N 2.01 2.90 -0.41 2.92 -4.36 0.24 -1.60 121.20 122.91 3cdz s ILE 2081Ca 0.29 -1.70 0.23 0.00 -0.26 0.00 0.00 60.65 59.20 3cdz s ILE 2081Cb -0.16 -2.81 0.27 0.00 1.25 0.00 0.00 42.46 41.01 3cdz s ILE 2081CO 0.10 -0.31 1.50 0.45 0.24 0.00 0.00 174.94 176.92 3cdz h HIS 2082N 7.94 0.00 0.00 1.37 3.86 -1.07 -2.09 115.15 125.16 3cdz h HIS 2082Ca -0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 3cdz h HIS 2082Cb 1.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.52 3cdz h HIS 2082CO 0.58 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.78 3cdz n GLY 2083N 1.12 -0.96 2.95 2.45 0.00 -1.19 0.57 105.19 110.14 3cdz n GLY 2083Ca 0.03 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 3cdz n GLY 2083CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3cdz s ILE 2084N -2.00 -0.54 -0.12 -0.61 2.07 0.11 0.84 121.20 120.95 3cdz s ILE 2084Ca 0.00 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.95 3cdz s ILE 2084Cb 0.00 -0.72 -0.01 0.00 0.13 0.00 0.00 42.46 41.85 3cdz s ILE 2084CO 0.00 -0.08 1.07 -0.54 -1.91 0.00 0.00 174.94 173.49 3cdz s LYS 2085N 2.51 4.36 0.03 3.50 1.02 -0.91 -1.52 119.74 128.72 3cdz s LYS 2085Ca 0.08 1.46 0.08 0.00 0.02 0.00 0.00 55.97 57.62 3cdz s LYS 2085Cb -0.15 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.56 3cdz s LYS 2085CO -0.14 -0.43 -0.24 -0.08 -0.92 0.00 0.00 175.35 173.54 3cdz s THR 2086N 2.39 1.91 0.22 2.17 -1.32 -1.26 -0.34 115.64 119.41 3cdz s THR 2086Ca 0.49 -1.24 -0.11 0.00 -1.21 0.00 0.00 61.69 59.63 3cdz s THR 2086Cb -0.19 -1.63 -0.01 0.00 -1.51 0.00 0.00 72.50 69.16 3cdz s THR 2086CO 0.16 0.34 0.39 -1.58 -2.21 0.00 0.00 174.62 171.72 3cdz s GLN 2087N -1.08 1.41 0.43 7.08 0.74 0.25 -0.45 119.66 128.04 3cdz s GLN 2087Ca 0.10 -1.26 0.06 0.00 0.05 0.00 0.00 55.36 54.31 3cdz s GLN 2087Cb -0.09 0.43 -0.07 0.00 1.10 0.00 0.00 33.01 34.38 3cdz s GLN 2087CO 0.01 -0.56 0.01 0.20 -0.55 0.00 0.00 175.29 174.41 3cdz s GLY 2088N -3.02 2.59 0.43 2.59 0.00 -1.26 -2.06 107.32 106.60 3cdz s GLY 2088Ca 0.23 -1.97 0.05 0.00 0.00 0.00 0.00 44.72 43.02 3cdz s GLY 2088CO 0.07 -2.11 0.41 0.00 0.00 0.00 0.00 173.10 171.47 3cdz n ALA 2089N -1.03 0.75 -3.72 3.20 0.00 -0.95 -4.23 120.51 114.54 3cdz n ALA 2089Ca -0.07 -1.69 -0.19 0.00 0.00 0.00 0.00 53.44 51.49 3cdz n ALA 2089Cb 0.67 0.63 -0.17 0.00 0.00 0.00 0.00 19.45 20.58 3cdz n ALA 2089CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3cdz s ARG 2090N -3.85 0.20 0.00 0.00 3.00 -1.26 -3.48 118.95 113.56 3cdz s ARG 2090Ca 0.31 0.18 0.00 0.00 -1.00 0.00 0.00 55.73 55.23 3cdz s ARG 2090Cb -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 34.95 34.38 3cdz s ARG 2090CO 0.20 -0.23 0.00 1.04 0.00 0.00 0.00 175.30 176.31 3cdz n GLN 2091N 4.66 3.56 0.04 5.12 1.13 -0.45 -4.97 117.38 126.46 3cdz n GLN 2091Ca -0.17 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 54.84 3cdz n GLN 2091Cb 0.50 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.82 3cdz n GLN 2091CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 3cdz h LYS 2092N 0.00 -0.26 0.00 -1.09 1.63 -2.01 -3.37 116.57 111.47 3cdz h LYS 2092Ca 0.00 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 3cdz h LYS 2092Cb 0.00 0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.62 3cdz h LYS 2092CO 0.00 -0.17 -0.51 1.19 -3.45 0.00 0.00 179.45 176.50 3cdz n PHE 2093N -3.52 0.00 -3.93 1.91 3.01 -1.26 -5.11 117.46 108.55 3cdz n PHE 2093Ca -0.03 -0.09 -0.35 0.00 1.01 0.00 0.00 57.45 57.98 3cdz n PHE 2093Cb 0.15 -0.01 -0.08 0.00 -0.01 0.00 0.00 39.48 39.52 3cdz n PHE 2093CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3cdz s SER 2094N -1.03 5.92 -0.42 4.37 0.01 -1.26 -5.07 113.70 116.23 3cdz s SER 2094Ca 0.05 0.21 -0.22 0.00 1.31 0.00 0.00 55.95 57.30 3cdz s SER 2094Cb 0.06 -1.98 0.02 0.00 0.21 0.00 0.00 66.02 64.33 3cdz s SER 2094CO -0.03 0.24 0.73 -0.55 0.41 0.00 0.00 173.24 174.05 3cdz s SER 2095N -0.04 6.42 -0.03 2.44 0.15 -1.26 -1.34 113.70 120.04 3cdz s SER 2095Ca 0.08 -0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.70 3cdz s SER 2095Cb -0.12 -2.37 0.02 0.00 -1.71 0.00 0.00 66.02 61.84 3cdz s SER 2095CO 0.00 -0.81 -0.03 -1.48 1.20 0.00 0.00 173.24 172.12 3cdz s LEU 2096N 3.08 1.50 0.39 3.45 2.34 -1.23 -4.57 118.68 123.64 3cdz s LEU 2096Ca 0.28 -0.08 -0.14 0.00 0.06 0.00 0.00 54.13 54.25 3cdz s LEU 2096Cb -0.13 -0.32 0.05 0.00 -0.56 0.00 0.00 46.19 45.24 3cdz s LEU 2096CO 0.20 -0.03 0.76 -0.72 -1.06 0.00 0.00 176.35 175.50 3cdz s TYR 2097N 0.61 0.24 -0.12 3.48 -0.85 -1.26 -2.24 117.35 117.21 3cdz s TYR 2097Ca -0.07 -0.89 -0.02 0.00 -0.52 0.00 0.00 57.07 55.57 3cdz s TYR 2097Cb -0.10 0.76 -0.03 0.00 0.38 0.00 0.00 41.96 42.96 3cdz s TYR 2097CO -0.00 -1.55 -0.04 0.96 -1.52 0.00 0.00 175.55 173.39 3cdz s ILE 2098N -2.27 3.86 -0.10 -3.49 -5.25 -1.17 -1.38 121.20 111.40 3cdz s ILE 2098Ca 0.17 -0.39 0.21 0.00 -0.99 0.00 0.00 60.65 59.65 3cdz s ILE 2098Cb -0.05 -2.65 -0.26 0.00 2.95 0.00 0.00 42.46 42.46 3cdz s ILE 2098CO 0.13 0.54 0.50 -1.54 -1.79 0.00 0.00 174.94 172.78 3cdz n SER 2099N 3.00 0.19 -3.71 4.36 3.41 0.56 -1.63 113.62 119.80 3cdz n SER 2099Ca -0.18 0.08 -0.14 0.00 -0.26 0.00 0.00 58.87 58.37 3cdz n SER 2099Cb 0.53 1.42 -0.09 0.00 -0.26 0.00 0.00 64.21 65.81 3cdz n SER 2099CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3cdz s GLN 2100N -3.24 0.65 -0.10 4.33 -0.21 -1.13 0.06 119.66 120.03 3cdz s GLN 2100Ca -0.07 0.28 -0.27 0.00 0.02 0.00 0.00 55.36 55.32 3cdz s GLN 2100Cb 0.11 0.30 0.06 0.00 1.00 0.00 0.00 33.01 34.49 3cdz s GLN 2100CO 0.87 -0.14 0.63 -0.59 -2.12 0.00 0.00 175.29 173.93 3cdz s PHE 2101N -0.52 -0.61 0.16 0.91 -0.12 0.11 0.14 117.98 118.05 3cdz s PHE 2101Ca -0.06 1.18 0.06 0.00 -0.05 0.00 0.00 56.93 58.06 3cdz s PHE 2101Cb -0.03 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 3cdz s PHE 2101CO 0.03 -0.51 0.06 0.96 -0.05 0.00 0.00 175.22 175.71 3cdz s ILE 2102N -0.81 4.07 -0.21 -4.49 -4.36 -1.00 0.18 121.20 114.58 3cdz s ILE 2102Ca -0.08 -1.24 0.01 0.00 -0.26 0.00 0.00 60.65 59.08 3cdz s ILE 2102Cb -0.02 -3.05 0.04 0.00 1.25 0.00 0.00 42.46 40.69 3cdz s ILE 2102CO 0.07 -0.09 -0.11 -0.63 0.24 0.00 0.00 174.94 174.42 3cdz s ILE 2103N -1.70 1.80 0.15 8.37 1.01 -1.26 -2.50 121.20 127.07 3cdz s ILE 2103Ca 0.29 -1.15 0.04 0.00 0.00 0.00 0.00 60.65 59.82 3cdz s ILE 2103Cb -0.10 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 3cdz s ILE 2103CO 0.21 0.15 0.19 -0.04 0.00 0.00 0.00 174.94 175.45 3cdz s MET 2104N 1.32 3.12 0.01 2.79 -1.94 -1.17 -3.21 119.30 120.21 3cdz s MET 2104Ca -0.02 -0.75 -0.11 0.00 -1.71 0.00 0.00 55.69 53.10 3cdz s MET 2104Cb -0.17 -2.78 0.01 0.00 2.01 0.00 0.00 34.83 33.90 3cdz s MET 2104CO -0.08 0.51 0.22 1.52 -0.01 0.00 0.00 175.02 177.18 3cdz s TYR 2105N -1.73 -0.03 -0.03 -0.03 -0.85 -1.10 -1.32 117.35 112.27 3cdz s TYR 2105Ca 0.32 -0.06 0.05 0.00 -0.52 0.00 0.00 57.07 56.87 3cdz s TYR 2105Cb -0.11 0.01 -0.01 0.00 0.38 0.00 0.00 41.96 42.24 3cdz s TYR 2105CO 0.25 -0.38 -0.19 -1.12 -1.52 0.00 0.00 175.55 172.60 3cdz s SER 2106N -1.66 2.23 0.00 -0.18 0.01 -0.80 -3.51 113.70 109.80 3cdz s SER 2106Ca -0.10 -0.35 0.26 0.00 1.31 0.00 0.00 55.95 57.06 3cdz s SER 2106Cb -0.04 -0.39 0.58 0.00 0.21 0.00 0.00 66.02 66.38 3cdz s SER 2106CO 0.00 0.21 1.47 0.00 0.41 0.00 0.00 173.24 175.33 3cdz n LEU 2107N 2.80 2.05 0.00 2.44 -0.00 -1.26 -0.88 117.00 122.15 3cdz n LEU 2107Ca -0.16 -0.68 0.00 0.00 -0.00 0.00 0.00 56.01 55.17 3cdz n LEU 2107Cb 0.53 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 3cdz n LEU 2107CO 0.24 0.35 0.00 -0.90 -0.00 0.00 0.00 177.39 177.08 3cdz n ASP 2108N 0.47 0.00 0.00 1.45 3.85 -1.26 -4.54 116.55 116.53 3cdz n ASP 2108Ca 0.15 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.23 3cdz n ASP 2108Cb 0.46 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.23 3cdz n ASP 2108CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3cdz n GLY 2109N 0.46 3.11 0.00 6.12 0.00 -1.26 -4.99 105.19 108.63 3cdz n GLY 2109Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3cdz n GLY 2109CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cdz n LYS 2110N 0.00 0.00 -2.49 1.61 5.02 -1.26 -4.83 118.16 116.22 3cdz n LYS 2110Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 3cdz n LYS 2110Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 3cdz n LYS 2110CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3cdz s LYS 2111N 0.00 4.23 0.48 1.97 0.00 -1.26 -5.03 119.74 120.13 3cdz s LYS 2111Ca 0.00 1.57 0.04 0.00 0.00 0.00 0.00 55.97 57.58 3cdz s LYS 2111Cb 0.00 -3.73 0.09 0.00 0.00 0.00 0.00 37.83 34.18 3cdz s LYS 2111CO 0.00 -0.70 0.66 0.91 0.00 0.00 0.00 175.35 176.22 3cdz n TRP 2112N 6.56 -2.71 -3.70 1.78 7.02 -1.26 -4.77 117.44 120.36 3cdz n TRP 2112Ca 0.13 -1.47 -0.03 0.00 -1.02 0.00 0.00 57.50 55.12 3cdz n TRP 2112Cb 0.45 -0.46 -0.01 0.00 -2.42 0.00 0.00 31.31 28.87 3cdz n TRP 2112CO 0.00 0.00 0.00 1.14 -2.02 0.00 0.00 177.69 176.81 3cdz s GLN 2113N -4.14 0.98 0.00 -0.99 0.00 -1.23 -5.05 119.66 109.23 3cdz s GLN 2113Ca 0.47 -0.52 0.00 0.00 -0.00 0.00 0.00 55.36 55.31 3cdz s GLN 2113Cb -0.03 0.34 0.00 0.00 0.00 0.00 0.00 33.01 33.32 3cdz s GLN 2113CO 0.30 -0.45 0.00 0.25 0.00 0.00 0.00 175.29 175.40 3cdz n THR 2114N -0.45 0.00 -4.08 3.63 -2.24 -1.26 -2.70 114.28 107.19 3cdz n THR 2114Ca -0.07 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 3cdz n THR 2114Cb 0.61 -0.49 -0.11 0.00 -2.10 0.00 0.00 70.33 68.24 3cdz n THR 2114CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3cdz s TYR 2115N -0.81 0.74 -0.40 4.78 5.04 -1.20 -4.69 117.35 120.82 3cdz s TYR 2115Ca 0.00 -0.52 0.09 0.00 -2.44 0.00 0.00 57.07 54.21 3cdz s TYR 2115Cb 0.00 -0.44 0.30 0.00 0.35 0.00 0.00 41.96 42.17 3cdz s TYR 2115CO 0.00 -0.07 0.72 0.54 -1.34 0.00 0.00 175.55 175.39 3cdz n ARG 2116N 1.36 0.87 -0.90 4.97 1.74 -1.26 -0.82 116.66 122.62 3cdz n ARG 2116Ca -0.22 -3.01 -0.28 0.00 -0.77 0.00 0.00 57.85 53.56 3cdz n ARG 2116Cb 0.55 -1.44 0.01 0.00 -1.02 0.00 0.00 32.46 30.56 3cdz n ARG 2116CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cdz n GLY 2117N 0.80 -2.22 2.28 -0.13 0.00 -1.26 -4.33 105.19 100.34 3cdz n GLY 2117Ca 0.20 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3cdz n GLY 2117CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cdz n ASN 2118N 1.76 0.04 -2.10 1.61 0.23 -1.26 -2.48 115.26 113.06 3cdz n ASN 2118Ca 0.06 0.75 -0.04 0.00 -0.53 0.00 0.00 54.58 54.83 3cdz n ASN 2118Cb 0.32 -0.59 -0.01 0.00 -2.08 0.00 0.00 39.78 37.42 3cdz n ASN 2118CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3cdz n SER 2119N 1.08 -0.77 0.00 0.53 7.64 -1.26 -4.84 113.62 116.00 3cdz n SER 2119Ca 0.13 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.21 3cdz n SER 2119Cb 0.05 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 3cdz n SER 2119CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3cdz n THR 2120N -1.89 0.00 0.00 0.44 5.66 -1.03 -4.93 114.28 112.53 3cdz n THR 2120Ca 0.01 0.59 0.00 0.00 -3.05 0.00 0.00 64.05 61.60 3cdz n THR 2120Cb 0.34 -1.44 0.00 0.00 -1.55 0.00 0.00 70.33 67.68 3cdz n THR 2120CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3cdz n GLY 2121N 0.25 0.26 0.01 1.09 0.00 -1.26 -5.02 105.19 100.53 3cdz n GLY 2121Ca 0.00 0.32 0.02 0.00 0.00 0.00 0.00 46.02 46.35 3cdz n GLY 2121CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3cdz n THR 2122N 0.00 0.17 -3.64 2.61 5.66 -1.26 -4.97 114.28 112.85 3cdz n THR 2122Ca 0.00 -0.23 -0.08 0.00 -3.05 0.00 0.00 64.05 60.69 3cdz n THR 2122Cb 0.00 -0.05 -0.07 0.00 -1.55 0.00 0.00 70.33 68.66 3cdz n THR 2122CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3cdz s LEU 2123N -3.89 -0.69 -0.63 1.09 2.96 -1.26 -4.85 118.68 111.41 3cdz s LEU 2123Ca -0.03 1.21 -0.21 0.00 -0.22 0.00 0.00 54.13 54.88 3cdz s LEU 2123Cb 0.04 2.16 0.09 0.00 0.50 0.00 0.00 46.19 48.98 3cdz s LEU 2123CO 0.33 -0.20 0.83 -0.32 -1.32 0.00 0.00 176.35 175.67 3cdz s MET 2124N 0.95 3.08 -0.16 1.98 -2.45 -0.00 -4.97 119.30 117.73 3cdz s MET 2124Ca -0.04 -1.09 -0.25 0.00 -1.25 0.00 0.00 55.69 53.06 3cdz s MET 2124Cb -0.05 -4.25 -0.02 0.00 1.25 0.00 0.00 34.83 31.76 3cdz s MET 2124CO -0.11 -1.68 0.80 0.54 1.05 0.00 0.00 175.02 175.62 3cdz s VAL 2125N 3.35 4.91 -0.09 10.11 0.11 -1.26 -4.34 120.40 133.18 3cdz s VAL 2125Ca 0.17 1.57 -0.01 0.00 -2.93 0.00 0.00 61.98 60.78 3cdz s VAL 2125Cb -0.21 -4.11 -0.03 0.00 -1.53 0.00 0.00 36.38 30.51 3cdz s VAL 2125CO 0.08 0.06 -0.04 -0.36 -3.33 0.00 0.00 175.10 171.51 3cdz s PHE 2126N 1.96 3.03 -0.18 1.54 0.08 0.13 -4.96 117.98 119.57 3cdz s PHE 2126Ca 0.37 0.01 -0.22 0.00 0.12 0.00 0.00 56.93 57.21 3cdz s PHE 2126Cb -0.17 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.47 3cdz s PHE 2126CO 0.13 0.30 0.68 -0.06 -0.10 0.00 0.00 175.22 176.17 3cdz s PHE 2127N -0.58 3.41 0.00 0.36 0.08 -1.26 -0.71 117.98 119.27 3cdz s PHE 2127Ca 0.09 1.04 0.00 0.00 0.12 0.00 0.00 56.93 58.18 3cdz s PHE 2127Cb -0.12 -2.85 0.00 0.00 -0.57 0.00 0.00 43.02 39.49 3cdz s PHE 2127CO 0.02 -0.16 0.00 0.41 -0.10 0.00 0.00 175.22 175.39 3cdz n GLY 2128N 3.63 -0.84 1.20 4.36 0.00 0.11 -4.92 105.19 108.73 3cdz n GLY 2128Ca -0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3cdz n GLY 2128CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cdz n ASN 2129N 0.00 2.15 0.00 1.61 3.02 -0.65 -4.60 115.26 116.80 3cdz n ASN 2129Ca 0.00 -1.69 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 3cdz n ASN 2129Cb 0.00 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 3cdz n ASN 2129CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3cdz n VAL 2130N -0.59 0.00 -1.77 2.41 0.31 -1.26 -4.68 118.33 112.75 3cdz n VAL 2130Ca -0.05 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3cdz n VAL 2130Cb 0.21 1.04 0.00 0.00 -0.91 0.00 0.00 33.84 34.18 3cdz n VAL 2130CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3cdz n ASP 2131N -0.39 0.00 -1.55 4.52 5.68 -1.26 -5.02 116.55 118.53 3cdz n ASP 2131Ca 0.00 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.38 3cdz n ASP 2131Cb 0.01 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.34 3cdz n ASP 2131CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3cdz n SER 2132N 0.00 4.59 -0.64 -1.12 7.64 -1.26 -4.01 113.62 118.81 3cdz n SER 2132Ca 0.00 -2.41 -0.01 0.00 1.01 0.00 0.00 58.87 57.45 3cdz n SER 2132Cb 0.00 -0.57 -0.01 0.00 -1.01 0.00 0.00 64.21 62.62 3cdz n SER 2132CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3cdz n SER 2133N 1.11 -0.14 -4.42 6.43 7.64 -1.26 -4.54 113.62 118.44 3cdz n SER 2133Ca 0.25 -1.40 -0.43 0.00 1.01 0.00 0.00 58.87 58.30 3cdz n SER 2133Cb 0.86 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 3cdz n SER 2133CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cdz n GLY 2134N 0.02 3.03 3.58 0.23 0.00 -1.26 -4.92 105.19 105.87 3cdz n GLY 2134Ca -0.05 -1.57 -0.21 0.00 0.00 0.00 0.00 46.02 44.19 3cdz n GLY 2134CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3cdz s ILE 2135N 3.65 3.28 -1.11 -0.61 -5.25 -1.25 -4.04 121.20 115.87 3cdz s ILE 2135Ca 0.51 -0.45 -0.07 0.00 -0.99 0.00 0.00 60.65 59.65 3cdz s ILE 2135Cb 0.05 -4.19 0.28 0.00 2.95 0.00 0.00 42.46 41.55 3cdz s ILE 2135CO 0.04 -0.52 1.33 1.17 -1.79 0.00 0.00 174.94 175.17 3cdz n LYS 2136N 8.30 3.98 -1.52 0.37 3.00 0.40 -4.85 118.16 127.84 3cdz n LYS 2136Ca 0.43 -4.45 -0.29 0.00 -0.00 0.00 0.00 58.31 54.00 3cdz n LYS 2136Cb 0.46 -2.57 -0.15 0.00 0.00 0.00 0.00 35.03 32.78 3cdz n LYS 2136CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 3cdz n HIS 2137N 2.21 0.57 -2.96 5.64 -0.00 -1.26 -3.98 115.22 115.44 3cdz n HIS 2137Ca 0.26 0.15 -0.40 0.00 -0.00 0.00 0.00 57.72 57.73 3cdz n HIS 2137Cb 0.36 -1.77 -0.05 0.00 -0.00 0.00 0.00 29.99 28.53 3cdz n HIS 2137CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 3cdz s ASN 2138N 6.47 7.28 -0.03 0.26 0.01 -0.58 -4.93 114.94 123.42 3cdz s ASN 2138Ca 1.23 1.52 0.03 0.00 -0.71 0.00 0.00 52.86 54.93 3cdz s ASN 2138Cb -0.80 -2.49 -0.03 0.00 0.41 0.00 0.00 41.25 38.35 3cdz s ASN 2138CO 0.43 0.05 -0.09 0.27 -1.51 0.00 0.00 177.10 176.25 3cdz s ILE 2139N -0.28 3.52 -0.56 0.60 -4.36 -1.26 0.10 121.20 118.96 3cdz s ILE 2139Ca 0.39 -0.67 -0.25 0.00 -0.26 0.00 0.00 60.65 59.85 3cdz s ILE 2139Cb -0.21 -2.47 0.04 0.00 1.25 0.00 0.00 42.46 41.07 3cdz s ILE 2139CO 0.24 0.50 1.02 -0.36 0.24 0.00 0.00 174.94 176.59 3cdz s PHE 2140N -0.87 2.73 0.11 1.37 0.08 0.19 -4.92 117.98 116.68 3cdz s PHE 2140Ca 0.14 0.13 -0.29 0.00 0.12 0.00 0.00 56.93 57.03 3cdz s PHE 2140Cb -0.11 -4.22 -0.09 0.00 -0.57 0.00 0.00 43.02 38.04 3cdz s PHE 2140CO 0.04 -1.43 1.60 -0.91 -0.10 0.00 0.00 175.22 174.42 3cdz h ASN 2141N 9.39 -1.07 -3.44 1.36 -0.26 -1.96 -3.24 115.58 116.34 3cdz h ASN 2141Ca -0.26 0.12 -0.54 0.00 -0.56 0.00 0.00 56.30 55.07 3cdz h ASN 2141Cb 1.07 0.41 -0.03 0.00 -1.06 0.00 0.00 38.32 38.71 3cdz h ASN 2141CO 1.12 -0.45 -0.11 -2.16 -1.06 0.00 0.00 177.43 174.78 3cdz s PRO 2142N -5.96 3.80 0.44 0.81 0.05 -1.26 -4.90 135.00 127.98 3cdz s PRO 2142Ca -0.16 0.28 -0.07 0.00 0.05 0.00 0.00 61.00 61.09 3cdz s PRO 2142Cb 0.08 -2.64 0.10 0.00 0.05 0.00 0.00 34.50 32.09 3cdz s PRO 2142CO 0.64 0.30 0.54 -0.35 0.05 0.00 0.00 177.00 178.19 3cdz n PRO 2143N -0.19 -0.86 -4.38 0.56 -0.05 -1.23 -4.89 135.00 123.97 3cdz n PRO 2143Ca 0.01 -0.84 -0.21 0.00 -0.05 0.00 0.00 63.50 62.41 3cdz n PRO 2143Cb 0.52 -0.61 -0.16 0.00 -0.05 0.00 0.00 33.50 33.21 3cdz n PRO 2143CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 3cdz s ILE 2144N -2.14 0.79 -0.32 0.52 1.01 -0.79 -4.99 121.20 115.28 3cdz s ILE 2144Ca 0.32 -0.33 -0.10 0.00 0.00 0.00 0.00 60.65 60.53 3cdz s ILE 2144Cb -0.01 -0.72 -0.00 0.00 0.01 0.00 0.00 42.46 41.74 3cdz s ILE 2144CO 0.23 0.26 0.16 0.27 0.00 0.00 0.00 174.94 175.85 3cdz s ILE 2145N 0.38 4.60 0.31 2.92 -5.25 -1.26 0.83 121.20 123.73 3cdz s ILE 2145Ca -0.06 -0.50 -0.05 0.00 -0.99 0.00 0.00 60.65 59.04 3cdz s ILE 2145Cb -0.11 -3.38 -0.00 0.00 2.95 0.00 0.00 42.46 41.92 3cdz s ILE 2145CO 0.01 0.01 0.45 0.00 -1.79 0.00 0.00 174.94 173.62 3cdz s ALA 2146N 1.60 0.54 -0.06 2.27 0.00 -0.66 -4.71 121.76 120.74 3cdz s ALA 2146Ca 0.04 -1.37 0.04 0.00 0.00 0.00 0.00 51.96 50.68 3cdz s ALA 2146Cb -0.17 1.15 -0.06 0.00 0.00 0.00 0.00 23.12 24.03 3cdz s ALA 2146CO 0.06 -0.79 0.01 -2.13 0.00 0.00 0.00 175.76 172.91 3cdz n ARG 2147N -0.49 2.59 -5.20 0.00 0.63 -0.06 -0.19 116.66 113.94 3cdz n ARG 2147Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.62 3cdz n ARG 2147Cb 0.62 -1.14 -0.16 0.00 0.45 0.00 0.00 32.46 32.23 3cdz n ARG 2147CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3cdz s TYR 2148N -2.14 2.46 -0.05 -0.14 1.51 -0.19 -0.09 117.35 118.72 3cdz s TYR 2148Ca -0.04 -0.54 0.05 0.00 -1.01 0.00 0.00 57.07 55.53 3cdz s TYR 2148Cb 0.02 -1.58 -0.01 0.00 -0.11 0.00 0.00 41.96 40.28 3cdz s TYR 2148CO 0.22 -0.10 -0.19 0.42 -1.11 0.00 0.00 175.55 174.79 3cdz s ILE 2149N -0.37 1.58 -0.07 2.71 1.09 -1.21 -1.90 121.20 123.03 3cdz s ILE 2149Ca 0.03 -0.80 -0.02 0.00 -1.10 0.00 0.00 60.65 58.76 3cdz s ILE 2149Cb -0.12 -1.35 -0.03 0.00 -1.06 0.00 0.00 42.46 39.89 3cdz s ILE 2149CO 0.02 0.45 0.02 -0.13 -0.10 0.00 0.00 174.94 175.20 3cdz s ARG 2150N -0.02 3.01 -0.12 2.79 0.52 -0.44 -2.33 118.95 122.37 3cdz s ARG 2150Ca -0.04 -0.42 0.01 0.00 -0.52 0.00 0.00 55.73 54.77 3cdz s ARG 2150Cb -0.12 -2.82 -0.01 0.00 0.52 0.00 0.00 34.95 32.52 3cdz s ARG 2150CO 0.02 0.69 -0.17 -1.17 0.02 0.00 0.00 175.30 174.70 3cdz s LEU 2151N -1.09 2.47 -0.16 2.53 0.20 -0.62 -3.05 118.68 118.96 3cdz s LEU 2151Ca 0.15 -0.42 0.01 0.00 0.69 0.00 0.00 54.13 54.57 3cdz s LEU 2151Cb -0.11 -1.53 0.02 0.00 -0.43 0.00 0.00 46.19 44.13 3cdz s LEU 2151CO 0.05 0.16 -0.20 -1.00 -0.29 0.00 0.00 176.35 175.07 3cdz s HIS 2152N 0.37 2.65 0.41 5.38 3.76 -1.04 -2.17 115.29 124.65 3cdz s HIS 2152Ca -0.14 -1.49 -0.26 0.00 -0.15 0.00 0.00 55.06 53.03 3cdz s HIS 2152Cb -0.17 -1.83 -0.09 0.00 1.11 0.00 0.00 32.58 31.60 3cdz s HIS 2152CO 0.07 -0.72 1.37 -1.25 -0.85 0.00 0.00 174.74 173.35 3cdz s PRO 2153N 1.16 3.92 -0.00 8.40 0.04 -1.26 -2.37 135.00 144.88 3cdz s PRO 2153Ca 0.01 2.30 0.02 0.00 0.04 0.00 0.00 61.00 63.37 3cdz s PRO 2153Cb -0.14 -2.77 -0.02 0.00 0.04 0.00 0.00 34.50 31.61 3cdz s PRO 2153CO -0.09 -0.58 0.08 2.41 0.04 0.00 0.00 177.00 178.85 3cdz n THR 2154N 0.11 0.00 -3.60 1.26 -1.04 0.37 -4.88 114.28 106.50 3cdz n THR 2154Ca 0.04 -0.39 -0.09 0.00 -2.04 0.00 0.00 64.05 61.57 3cdz n THR 2154Cb 0.42 0.91 -0.05 0.00 -1.82 0.00 0.00 70.33 69.79 3cdz n THR 2154CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3cdz s HIS 2155N -1.34 -0.32 0.45 -1.42 2.46 -1.16 -4.82 115.29 109.14 3cdz s HIS 2155Ca 0.00 0.57 0.03 0.00 0.47 0.00 0.00 55.06 56.14 3cdz s HIS 2155Cb 0.01 0.45 -0.02 0.00 -0.13 0.00 0.00 32.58 32.89 3cdz s HIS 2155CO 0.08 -0.27 0.08 1.52 -2.47 0.00 0.00 174.74 173.68 3cdz s TYR 2156N -0.93 1.83 0.00 3.88 -0.85 -1.26 0.21 117.35 120.23 3cdz s TYR 2156Ca 0.01 -1.15 0.00 0.00 -0.52 0.00 0.00 57.07 55.41 3cdz s TYR 2156Cb -0.01 -1.34 0.00 0.00 0.38 0.00 0.00 41.96 40.99 3cdz s TYR 2156CO -0.01 -0.08 0.00 0.43 -1.52 0.00 0.00 175.55 174.36 3cdz n SER 2157N -1.29 0.00 -0.09 -0.18 7.64 -0.48 -4.78 113.62 114.44 3cdz n SER 2157Ca -0.11 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.64 3cdz n SER 2157Cb 0.66 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.77 3cdz n SER 2157CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3cdz n ILE 2158N -0.63 1.04 -4.03 0.44 5.41 -1.26 -4.98 119.36 115.35 3cdz n ILE 2158Ca 0.00 -0.40 -0.12 0.00 1.00 0.00 0.00 62.75 63.23 3cdz n ILE 2158Cb 0.00 -1.14 -0.12 0.00 -0.71 0.00 0.00 39.64 37.67 3cdz n ILE 2158CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3cdz s ARG 2159N -2.36 0.39 -0.59 0.38 0.52 -1.26 -4.88 118.95 111.15 3cdz s ARG 2159Ca -0.24 -0.57 -0.29 0.00 -0.52 0.00 0.00 55.73 54.11 3cdz s ARG 2159Cb 0.06 -0.13 -0.11 0.00 0.52 0.00 0.00 34.95 35.29 3cdz s ARG 2159CO 0.42 0.02 2.45 0.43 0.02 0.00 0.00 175.30 178.63 3cdz n SER 2160N 1.84 1.83 -3.81 0.23 7.64 -1.09 -4.18 113.62 116.08 3cdz n SER 2160Ca -0.21 -0.17 -0.22 0.00 1.01 0.00 0.00 58.87 59.28 3cdz n SER 2160Cb 0.56 -1.37 -0.17 0.00 -1.01 0.00 0.00 64.21 62.21 3cdz n SER 2160CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3cdz s THR 2161N 10.55 0.42 -0.01 0.44 2.01 -1.26 -2.13 115.64 125.67 3cdz s THR 2161Ca 1.09 0.05 -0.10 0.00 0.31 0.00 0.00 61.69 63.04 3cdz s THR 2161Cb -0.55 -0.54 0.01 0.00 0.01 0.00 0.00 72.50 71.43 3cdz s THR 2161CO 0.36 0.25 0.20 -0.22 -0.69 0.00 0.00 174.62 174.51 3cdz s LEU 2162N 1.65 1.29 -0.10 4.42 2.96 -0.97 -3.03 118.68 124.90 3cdz s LEU 2162Ca 0.00 -0.08 -0.09 0.00 -0.22 0.00 0.00 54.13 53.74 3cdz s LEU 2162Cb -0.13 0.89 0.03 0.00 0.50 0.00 0.00 46.19 47.48 3cdz s LEU 2162CO -0.04 -0.39 0.26 0.00 -1.32 0.00 0.00 176.35 174.86 3cdz s ARG 2163N -1.31 0.29 0.09 1.98 1.70 -0.88 -0.45 118.95 120.37 3cdz s ARG 2163Ca -0.14 0.38 -0.22 0.00 -0.47 0.00 0.00 55.73 55.29 3cdz s ARG 2163Cb -0.07 0.12 0.05 0.00 -0.57 0.00 0.00 34.95 34.49 3cdz s ARG 2163CO 0.02 -0.05 0.53 0.00 -1.08 0.00 0.00 175.30 174.72 3cdz s MET 2164N 0.26 1.11 0.33 3.89 0.23 -0.82 -0.58 119.30 123.72 3cdz s MET 2164Ca -0.01 -0.36 0.07 0.00 -1.03 0.00 0.00 55.69 54.36 3cdz s MET 2164Cb -0.03 0.51 -0.06 0.00 -1.53 0.00 0.00 34.83 33.71 3cdz s MET 2164CO -0.01 -0.43 -0.04 -2.00 -2.03 0.00 0.00 175.02 170.52 3cdz s GLU 2165N -2.98 1.72 -0.03 3.16 2.56 0.53 -2.79 118.70 120.87 3cdz s GLU 2165Ca -0.02 -1.91 0.05 0.00 0.00 0.00 0.00 54.97 53.09 3cdz s GLU 2165Cb -0.00 -1.35 -0.01 0.00 2.00 0.00 0.00 34.13 34.77 3cdz s GLU 2165CO -0.06 0.01 -0.18 -0.51 -0.56 0.00 0.00 175.26 173.96 3cdz s LEU 2166N -3.54 1.97 -0.11 2.70 1.43 -1.26 -2.15 118.68 117.71 3cdz s LEU 2166Ca 0.32 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 52.97 3cdz s LEU 2166Cb 0.05 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 3cdz s LEU 2166CO 0.15 0.19 0.20 -0.04 0.23 0.00 0.00 176.35 177.08 3cdz s MET 2167N -0.15 3.67 0.00 1.70 -1.94 0.25 0.11 119.30 122.94 3cdz s MET 2167Ca 0.00 -0.02 0.00 0.00 -1.71 0.00 0.00 55.69 53.97 3cdz s MET 2167Cb -0.10 -3.24 0.00 0.00 2.01 0.00 0.00 34.83 33.50 3cdz s MET 2167CO 0.01 0.68 0.00 0.41 -0.01 0.00 0.00 175.02 176.11 3cdz n GLY 2168N 2.20 0.19 0.00 -0.03 0.00 -0.94 -0.51 105.19 106.10 3cdz n GLY 2168Ca -0.18 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3cdz n GLY 2168CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cdz s ASP 2170N 0.00 5.72 0.14 0.00 2.15 -1.26 -1.49 116.67 121.92 3cdz s ASP 2170Ca 0.00 1.72 -0.09 0.00 0.43 0.00 0.00 52.55 54.61 3cdz s ASP 2170Cb 0.00 -2.52 0.16 0.00 -0.30 0.00 0.00 42.92 40.26 3cdz s ASP 2170CO 0.00 -1.21 0.91 0.18 -0.17 0.00 0.00 175.17 174.88 3cdz n LEU 2171N -2.39 -0.36 -2.70 -1.34 4.77 -1.26 -3.50 117.00 110.23 3cdz n LEU 2171Ca 0.08 1.02 -0.05 0.00 -0.03 0.00 0.00 56.01 57.03 3cdz n LEU 2171Cb 0.53 -0.25 0.06 0.00 -2.33 0.00 0.00 43.42 41.44 3cdz n LEU 2171CO 0.50 -0.93 0.44 -3.20 -1.33 0.00 0.00 177.39 172.88 3cdz n ASN 2172N -4.88 -1.89 -1.19 -1.43 2.85 -1.26 -4.64 115.26 102.81 3cdz n ASN 2172Ca 0.07 -2.16 -0.04 0.00 -0.11 0.00 0.00 54.58 52.34 3cdz n ASN 2172Cb 0.24 1.09 0.06 0.00 1.24 0.00 0.00 39.78 42.41 3cdz n ASN 2172CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 3cdz n SER 2173N 1.79 2.94 -3.76 1.20 2.88 -1.23 -4.91 113.62 112.53 3cdz n SER 2173Ca 0.06 -2.36 -0.23 0.00 -1.33 0.00 0.00 58.87 55.00 3cdz n SER 2173Cb 0.67 -0.58 0.01 0.00 -0.75 0.00 0.00 64.21 63.56 3cdz n SER 2173CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cdz n SER 2175N -0.83 4.84 -3.87 0.00 7.64 -1.26 -2.83 113.62 117.31 3cdz n SER 2175Ca -0.09 -2.39 -0.18 0.00 1.01 0.00 0.00 58.87 57.22 3cdz n SER 2175Cb 0.32 -1.14 -0.16 0.00 -1.01 0.00 0.00 64.21 62.22 3cdz n SER 2175CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 3cdz s MET 2176N 3.53 0.57 -0.33 1.43 0.00 -1.26 -4.42 119.30 118.83 3cdz s MET 2176Ca 0.44 -0.04 -0.43 0.00 0.00 0.00 0.00 55.69 55.66 3cdz s MET 2176Cb 0.11 -0.64 -0.18 0.00 0.00 0.00 0.00 34.83 34.13 3cdz s MET 2176CO -0.02 -0.08 1.64 -0.35 0.00 0.00 0.00 175.02 176.21 3cdz n PRO 2177N 3.95 0.67 0.21 4.11 -0.04 -1.26 -1.53 135.00 141.11 3cdz n PRO 2177Ca -0.25 0.25 0.09 0.00 -0.04 0.00 0.00 63.50 63.54 3cdz n PRO 2177Cb 0.51 -1.85 0.44 0.00 -0.04 0.00 0.00 33.50 32.57 3cdz n PRO 2177CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3cdz h LEU 2178N 6.05 0.00 0.00 1.53 6.46 -0.95 -3.46 115.31 124.94 3cdz h LEU 2178Ca -0.46 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.30 3cdz h LEU 2178Cb 1.34 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.27 3cdz h LEU 2178CO 0.94 0.26 0.00 0.61 -0.62 0.00 0.00 178.44 179.64 3cdz n GLY 2179N 0.09 -0.54 0.20 3.75 0.00 -1.26 -4.87 105.19 102.56 3cdz n GLY 2179Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 3cdz n GLY 2179CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3cdz h MET 2180N 0.00 0.70 0.12 1.61 2.86 -1.87 -0.13 114.93 118.22 3cdz h MET 2180Ca 0.00 -0.65 -0.01 0.00 -2.06 0.00 0.00 59.70 56.98 3cdz h MET 2180Cb 0.00 0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.82 3cdz h MET 2180CO 0.00 1.25 -0.06 0.93 1.06 0.00 0.00 176.91 180.09 3cdz h GLU 2181N 0.44 -0.15 0.00 1.72 4.39 -1.94 -3.25 114.58 115.80 3cdz h GLU 2181Ca -0.08 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3cdz h GLU 2181Cb 1.53 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.21 3cdz h GLU 2181CO 0.18 -0.10 0.08 -1.13 -1.16 0.00 0.00 179.01 176.88 3cdz n SER 2182N -3.86 0.41 -3.17 1.42 3.41 -1.26 -4.82 113.62 105.76 3cdz n SER 2182Ca -0.02 0.66 -0.20 0.00 -0.26 0.00 0.00 58.87 59.04 3cdz n SER 2182Cb 0.06 -0.69 0.07 0.00 -0.26 0.00 0.00 64.21 63.40 3cdz n SER 2182CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3cdz n LYS 2183N -2.06 -6.83 0.23 4.33 5.02 -0.87 -4.89 118.16 113.07 3cdz n LYS 2183Ca -0.01 0.72 0.15 0.00 -2.02 0.00 0.00 58.31 57.15 3cdz n LYS 2183Cb 0.11 -5.42 0.53 0.00 -0.02 0.00 0.00 35.03 30.23 3cdz n LYS 2183CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cdz h ALA 2184N 0.87 1.00 -2.60 7.82 0.00 -1.35 -3.39 119.26 121.61 3cdz h ALA 2184Ca -0.49 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.76 3cdz h ALA 2184Cb 1.32 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.94 3cdz h ALA 2184CO 0.48 0.00 -0.26 0.42 0.00 0.00 0.00 179.25 179.89 3cdz s ILE 2185N -3.48 5.15 0.81 0.00 1.01 -0.95 -5.05 121.20 118.69 3cdz s ILE 2185Ca 0.03 0.13 -0.12 0.00 0.00 0.00 0.00 60.65 60.70 3cdz s ILE 2185Cb 0.08 -3.82 0.08 0.00 0.01 0.00 0.00 42.46 38.81 3cdz s ILE 2185CO 0.54 -0.08 1.14 -0.55 0.00 0.00 0.00 174.94 175.99 3cdz s SER 2186N 1.73 3.92 0.37 3.58 0.15 -1.26 -4.86 113.70 117.32 3cdz s SER 2186Ca 0.13 2.08 0.06 0.00 0.70 0.00 0.00 55.95 58.92 3cdz s SER 2186Cb -0.16 -2.55 0.76 0.00 -1.71 0.00 0.00 66.02 62.35 3cdz s SER 2186CO 0.12 -2.44 1.99 0.44 1.20 0.00 0.00 173.24 174.55 3cdz h ASP 2187N -1.13 0.63 -0.10 5.45 3.45 -1.92 -0.64 116.42 122.17 3cdz h ASP 2187Ca -0.44 -0.00 0.01 0.00 0.43 0.00 0.00 57.03 57.03 3cdz h ASP 2187Cb 1.26 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 39.88 3cdz h ASP 2187CO 0.48 0.42 0.07 0.00 -1.57 0.00 0.00 179.24 178.64 3cdz h ALA 2188N 1.63 2.00 0.00 3.45 0.00 -1.97 -3.25 119.26 121.13 3cdz h ALA 2188Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3cdz h ALA 2188Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3cdz h ALA 2188CO -0.08 -0.02 0.00 0.94 0.00 0.00 0.00 179.25 180.09 3cdz n GLN 2189N -4.52 0.68 -4.35 0.00 7.27 -0.25 -4.63 117.38 111.59 3cdz n GLN 2189Ca -0.01 0.01 -0.26 0.00 0.07 0.00 0.00 57.00 56.82 3cdz n GLN 2189Cb 0.13 -1.50 -0.17 0.00 2.41 0.00 0.00 30.24 31.11 3cdz n GLN 2189CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3cdz s ILE 2190N -2.24 1.13 0.43 1.69 1.01 -1.23 -2.10 121.20 119.89 3cdz s ILE 2190Ca 0.36 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.64 3cdz s ILE 2190Cb 0.19 -1.07 -0.05 0.00 0.01 0.00 0.00 42.46 41.54 3cdz s ILE 2190CO 0.37 0.37 0.12 0.42 0.00 0.00 0.00 174.94 176.21 3cdz s THR 2191N 1.03 2.02 0.41 2.92 -4.23 -1.04 -4.43 115.64 112.32 3cdz s THR 2191Ca -0.08 -1.82 0.04 0.00 -1.18 0.00 0.00 61.69 58.65 3cdz s THR 2191Cb -0.15 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 70.83 3cdz s THR 2191CO -0.01 0.00 0.12 0.00 -0.54 0.00 0.00 174.62 174.20 3cdz s ALA 2192N -2.68 2.96 0.39 3.99 0.00 -1.26 -1.41 121.76 123.75 3cdz s ALA 2192Ca 0.34 -1.22 0.13 0.00 0.00 0.00 0.00 51.96 51.21 3cdz s ALA 2192Cb 0.05 0.72 0.79 0.00 0.00 0.00 0.00 23.12 24.68 3cdz s ALA 2192CO 0.19 -0.32 1.87 1.03 0.00 0.00 0.00 175.76 178.52 3cdz h SER 2193N 1.77 0.01 0.00 0.00 0.87 -1.71 -3.47 113.55 111.03 3cdz h SER 2193Ca -0.36 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 3cdz h SER 2193Cb 1.27 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 3cdz h SER 2193CO 0.58 0.33 0.00 -1.54 -0.53 0.00 0.00 176.83 175.66 3cdz n SER 2194N -4.16 0.00 -4.11 6.23 3.41 -1.26 -5.00 113.62 108.72 3cdz n SER 2194Ca -0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.35 3cdz n SER 2194Cb 0.36 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.15 3cdz n SER 2194CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3cdz s TYR 2195N -2.00 1.45 0.20 7.33 -0.85 -1.26 -3.77 117.35 118.45 3cdz s TYR 2195Ca 0.00 -0.35 -0.30 0.00 -0.52 0.00 0.00 57.07 55.90 3cdz s TYR 2195Cb 0.00 -0.96 -0.09 0.00 0.38 0.00 0.00 41.96 41.29 3cdz s TYR 2195CO 0.00 -0.09 1.35 0.12 -1.52 0.00 0.00 175.55 175.40 3cdz s PHE 2196N -0.11 3.20 -0.27 -3.49 5.36 -0.34 -4.40 117.98 117.94 3cdz s PHE 2196Ca 0.01 1.15 -0.21 0.00 -0.96 0.00 0.00 56.93 56.91 3cdz s PHE 2196Cb -0.09 -3.66 0.07 0.00 -0.34 0.00 0.00 43.02 39.01 3cdz s PHE 2196CO 0.01 -2.11 0.70 -0.08 -1.46 0.00 0.00 175.22 172.28 3cdz s THR 2197N 0.18 -0.00 0.00 0.12 -1.32 -1.26 -1.66 115.64 111.69 3cdz s THR 2197Ca 0.58 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.06 3cdz s THR 2197Cb -0.38 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.62 3cdz s THR 2197CO 0.39 0.00 0.00 -0.46 -2.21 0.00 0.00 174.62 172.34 3cdz n ASN 2198N 3.30 0.00 0.00 8.08 0.23 -1.03 -5.04 115.26 120.80 3cdz n ASN 2198Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.89 3cdz n ASN 2198Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 3cdz n ASN 2198CO 0.00 0.00 0.00 1.15 -0.93 0.00 0.00 177.26 177.48 3cdz n MET 2199N 0.00 0.00 -0.01 -3.83 0.00 -1.26 -4.88 117.12 107.14 3cdz n MET 2199Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 57.70 57.73 3cdz n MET 2199Cb 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 33.22 33.34 3cdz n MET 2199CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3cdz n PHE 2200N -2.42 0.04 -3.53 3.17 3.01 -1.26 -4.86 117.46 111.60 3cdz n PHE 2200Ca 0.00 -0.02 -0.13 0.00 1.01 0.00 0.00 57.45 58.31 3cdz n PHE 2200Cb 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.42 3cdz n PHE 2200CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3cdz s ALA 2201N -1.96 -1.83 -0.44 4.37 0.00 -1.26 -4.82 121.76 115.82 3cdz s ALA 2201Ca 0.09 1.32 0.05 0.00 0.00 0.00 0.00 51.96 53.41 3cdz s ALA 2201Cb 0.04 -0.15 0.17 0.00 0.00 0.00 0.00 23.12 23.19 3cdz s ALA 2201CO 0.07 -0.42 0.49 0.99 0.00 0.00 0.00 175.76 176.89 3cdz s THR 2202N -1.61 -0.30 -0.69 0.00 2.01 -1.26 -2.47 115.64 111.31 3cdz s THR 2202Ca -0.04 -1.68 -0.07 0.00 0.31 0.00 0.00 61.69 60.20 3cdz s THR 2202Cb -0.00 -0.66 -0.17 0.00 0.01 0.00 0.00 72.50 71.67 3cdz s THR 2202CO 0.02 -0.64 3.12 0.79 -0.69 0.00 0.00 174.62 177.22 3cdz n TRP 2203N 3.18 1.03 -2.00 4.92 7.02 -0.67 -4.91 117.44 126.01 3cdz n TRP 2203Ca 0.22 -2.08 -0.36 0.00 -1.02 0.00 0.00 57.50 54.26 3cdz n TRP 2203Cb 0.50 -1.89 0.03 0.00 -2.42 0.00 0.00 31.31 27.54 3cdz n TRP 2203CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3cdz s SER 2204N 2.23 5.17 0.49 -0.99 1.04 -1.26 -1.21 113.70 119.17 3cdz s SER 2204Ca 0.63 2.40 0.23 0.00 0.48 0.00 0.00 55.95 59.69 3cdz s SER 2204Cb 0.24 -2.60 1.29 0.00 0.10 0.00 0.00 66.02 65.04 3cdz s SER 2204CO -0.03 -1.61 1.95 1.55 0.98 0.00 0.00 173.24 176.08 3cdz h PRO 2205N 0.87 0.14 -0.03 4.02 0.13 -1.89 -0.89 132.00 134.36 3cdz h PRO 2205Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3cdz h PRO 2205Cb 1.30 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3cdz h PRO 2205CO 0.55 0.09 0.00 0.43 -0.23 0.00 0.00 178.00 178.84 3cdz n SER 2206N -4.40 0.03 -0.00 1.44 7.64 -1.26 -1.69 113.62 115.37 3cdz n SER 2206Ca 0.13 -0.54 0.05 0.00 1.01 0.00 0.00 58.87 59.52 3cdz n SER 2206Cb 0.64 -0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.76 3cdz n SER 2206CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3cdz n LYS 2207N -0.42 1.02 -1.49 1.43 4.76 -0.34 -4.89 118.16 118.24 3cdz n LYS 2207Ca 0.00 -0.07 -0.15 0.00 -2.87 0.00 0.00 58.31 55.21 3cdz n LYS 2207Cb 0.01 -1.17 -0.12 0.00 -1.84 0.00 0.00 35.03 31.91 3cdz n LYS 2207CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3cdz n ALA 2208N -1.71 0.23 -3.79 7.82 0.00 -0.68 -4.44 120.51 117.93 3cdz n ALA 2208Ca -0.01 -2.21 -0.24 0.00 0.00 0.00 0.00 53.44 50.98 3cdz n ALA 2208Cb 0.23 -3.26 -0.17 0.00 0.00 0.00 0.00 19.45 16.25 3cdz n ALA 2208CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3cdz s ARG 2209N 8.32 0.81 0.18 0.00 0.52 -1.26 -2.95 118.95 124.57 3cdz s ARG 2209Ca 0.78 -0.05 0.13 0.00 -0.52 0.00 0.00 55.73 56.06 3cdz s ARG 2209Cb -0.03 -1.28 0.62 0.00 0.52 0.00 0.00 34.95 34.78 3cdz s ARG 2209CO 0.19 -0.35 0.67 -0.11 0.02 0.00 0.00 175.30 175.72 3cdz n LEU 2210N 5.09 0.10 -3.63 2.53 7.94 0.48 -2.56 117.00 126.95 3cdz n LEU 2210Ca -0.08 0.62 -0.20 0.00 -1.11 0.00 0.00 56.01 55.24 3cdz n LEU 2210Cb 0.50 -0.30 -0.16 0.00 0.53 0.00 0.00 43.42 43.98 3cdz n LEU 2210CO 0.12 -0.68 -0.27 -1.00 -1.11 0.00 0.00 177.39 174.45 3cdz s HIS 2211N -4.38 -0.07 -0.13 1.96 3.76 -1.26 -4.81 115.29 110.37 3cdz s HIS 2211Ca -0.03 0.28 -0.04 0.00 -0.15 0.00 0.00 55.06 55.12 3cdz s HIS 2211Cb 0.13 -0.41 0.06 0.00 1.11 0.00 0.00 32.58 33.48 3cdz s HIS 2211CO 0.35 -0.36 0.23 -1.17 -0.85 0.00 0.00 174.74 172.93 3cdz s LEU 2212N 2.24 -0.21 0.45 0.89 2.96 -1.06 -5.09 118.68 118.87 3cdz s LEU 2212Ca 0.04 0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 54.34 3cdz s LEU 2212Cb -0.13 0.53 -0.01 0.00 0.50 0.00 0.00 46.19 47.08 3cdz s LEU 2212CO -0.07 -0.25 0.68 -1.10 -1.32 0.00 0.00 176.35 174.29 3cdz s GLN 2213N 2.37 3.10 0.00 1.98 -1.52 -1.26 -4.77 119.66 119.56 3cdz s GLN 2213Ca 0.03 -0.42 0.00 0.00 -1.95 0.00 0.00 55.36 53.02 3cdz s GLN 2213Cb -0.13 -2.54 0.00 0.00 -0.22 0.00 0.00 33.01 30.12 3cdz s GLN 2213CO -0.08 -0.27 0.00 0.41 -0.25 0.00 0.00 175.29 175.10 3cdz n GLY 2214N -2.10 -0.38 0.09 3.09 0.00 -1.26 -4.74 105.19 99.89 3cdz n GLY 2214Ca 0.01 -1.49 -0.18 0.00 0.00 0.00 0.00 46.02 44.36 3cdz n GLY 2214CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3cdz h ARG 2215N 2.85 0.01 -3.76 1.61 3.08 -1.97 -3.41 114.38 112.78 3cdz h ARG 2215Ca 0.00 -0.01 -0.73 0.00 0.07 0.00 0.00 59.98 59.31 3cdz h ARG 2215Cb 0.00 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 29.73 3cdz h ARG 2215CO 0.00 1.01 -0.24 -1.54 -1.07 0.00 0.00 179.97 178.12 3cdz s SER 2216N -6.55 5.72 -0.26 7.04 1.04 -1.26 -4.95 113.70 114.47 3cdz s SER 2216Ca -0.24 -2.68 0.11 0.00 0.48 0.00 0.00 55.95 53.63 3cdz s SER 2216Cb 0.01 -1.97 0.52 0.00 0.10 0.00 0.00 66.02 64.69 3cdz s SER 2216CO 0.64 -0.47 1.48 -0.46 0.98 0.00 0.00 173.24 175.42 3cdz n ASN 2217N 3.82 3.04 -3.60 7.02 0.23 -1.26 -4.86 115.26 119.65 3cdz n ASN 2217Ca 0.07 -3.50 -0.03 0.00 -0.53 0.00 0.00 54.58 50.59 3cdz n ASN 2217Cb 0.41 -0.62 -0.00 0.00 -2.08 0.00 0.00 39.78 37.49 3cdz n ASN 2217CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3cdz s ALA 2218N -3.11 -1.68 0.07 -2.53 0.00 -1.26 -4.64 121.76 108.61 3cdz s ALA 2218Ca 0.45 0.00 -0.22 0.00 0.00 0.00 0.00 51.96 52.19 3cdz s ALA 2218Cb 0.39 0.66 -0.06 0.00 0.00 0.00 0.00 23.12 24.10 3cdz s ALA 2218CO 0.04 -1.05 0.67 -0.46 0.00 0.00 0.00 175.76 174.95 3cdz s TRP 2219N -2.80 3.78 -0.01 0.00 -0.00 -0.82 -4.24 118.94 114.85 3cdz s TRP 2219Ca 0.16 1.38 0.01 0.00 -0.00 0.00 0.00 56.10 57.65 3cdz s TRP 2219Cb -0.01 -2.66 0.00 0.00 -0.00 0.00 0.00 33.47 30.80 3cdz s TRP 2219CO 0.03 0.44 -0.03 1.03 -0.00 0.00 0.00 176.95 178.42 3cdz s ARG 2220N -0.64 0.28 0.70 5.86 0.52 -0.35 -1.66 118.95 123.66 3cdz s ARG 2220Ca 0.33 -0.09 -0.12 0.00 -0.52 0.00 0.00 55.73 55.33 3cdz s ARG 2220Cb -0.20 -0.30 0.02 0.00 0.52 0.00 0.00 34.95 34.99 3cdz s ARG 2220CO 0.21 0.03 1.09 -1.25 0.02 0.00 0.00 175.30 175.40 3cdz s PRO 2221N 0.12 2.67 0.17 3.54 0.04 -1.26 -1.20 135.00 139.08 3cdz s PRO 2221Ca -0.01 1.20 -0.14 0.00 0.04 0.00 0.00 61.00 62.08 3cdz s PRO 2221Cb -0.04 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.61 3cdz s PRO 2221CO -0.00 -1.33 1.81 -0.56 0.04 0.00 0.00 177.00 176.95 3cdz h GLN 2222N -0.53 0.69 0.00 4.56 3.07 -1.77 -3.33 115.11 117.80 3cdz h GLN 2222Ca -0.45 -0.06 -0.35 0.00 0.09 0.00 0.00 58.65 57.88 3cdz h GLN 2222Cb 1.23 -0.15 -0.08 0.00 0.08 0.00 0.00 27.48 28.56 3cdz h GLN 2222CO 0.54 0.50 -0.31 1.33 0.09 0.00 0.00 178.83 180.97 3cdz n VAL 2223N -4.69 0.00 -3.57 1.86 0.24 -1.26 -4.78 118.33 106.12 3cdz n VAL 2223Ca 0.03 -1.59 -0.41 0.00 -2.04 0.00 0.00 64.34 60.33 3cdz n VAL 2223Cb 0.05 0.63 -0.10 0.00 -1.47 0.00 0.00 33.84 32.95 3cdz n VAL 2223CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3cdz s ASN 2224N -2.63 5.70 0.01 -1.34 0.01 -1.26 -5.00 114.94 110.43 3cdz s ASN 2224Ca 0.17 -1.51 0.04 0.00 -0.71 0.00 0.00 52.86 50.85 3cdz s ASN 2224Cb 0.01 -2.01 -0.01 0.00 0.41 0.00 0.00 41.25 39.64 3cdz s ASN 2224CO 0.12 -0.56 -0.12 0.20 -1.51 0.00 0.00 177.10 175.24 3cdz s ASN 2225N 2.21 1.36 0.19 -1.22 0.01 -1.26 -5.07 114.94 111.16 3cdz s ASN 2225Ca 0.03 -0.30 -0.06 0.00 -0.71 0.00 0.00 52.86 51.82 3cdz s ASN 2225Cb -0.23 -0.12 0.11 0.00 0.41 0.00 0.00 41.25 41.42 3cdz s ASN 2225CO 0.02 0.08 1.56 -0.65 -1.51 0.00 0.00 177.10 176.60 3cdz h PRO 2226N 5.48 0.77 -0.64 -0.60 0.11 -1.86 -2.64 132.00 132.63 3cdz h PRO 2226Ca -0.34 -0.37 0.00 0.00 0.11 0.00 0.00 66.00 65.40 3cdz h PRO 2226Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3cdz h PRO 2226CO 0.47 1.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.89 3cdz n LYS 2227N -4.07 0.57 -3.47 1.05 5.02 -1.26 -4.50 118.16 111.51 3cdz n LYS 2227Ca -0.01 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.98 3cdz n LYS 2227Cb 0.50 -1.28 -0.04 0.00 -0.02 0.00 0.00 35.03 34.19 3cdz n LYS 2227CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3cdz s GLU 2228N -0.90 3.66 0.20 1.97 0.41 -1.00 -5.11 118.70 117.94 3cdz s GLU 2228Ca 0.00 0.01 -0.10 0.00 -0.41 0.00 0.00 54.97 54.47 3cdz s GLU 2228Cb 0.00 -2.71 -0.01 0.00 -1.78 0.00 0.00 34.13 29.63 3cdz s GLU 2228CO 0.00 0.31 0.37 1.67 -0.49 0.00 0.00 175.26 177.12 3cdz s TRP 2229N -1.91 0.42 -0.02 1.61 1.48 -1.26 -3.89 118.94 115.37 3cdz s TRP 2229Ca 0.43 -0.76 0.03 0.00 -1.06 0.00 0.00 56.10 54.74 3cdz s TRP 2229Cb -0.11 0.03 0.00 0.00 -1.16 0.00 0.00 33.47 32.23 3cdz s TRP 2229CO 0.27 -0.84 -0.10 -1.17 -4.06 0.00 0.00 176.95 171.04 3cdz s LEU 2230N -3.00 1.84 -0.15 -4.66 2.96 -0.58 -1.67 118.68 113.43 3cdz s LEU 2230Ca 0.21 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 3cdz s LEU 2230Cb 0.02 -0.60 0.02 0.00 0.50 0.00 0.00 46.19 46.13 3cdz s LEU 2230CO 0.05 0.09 -0.13 -1.58 -1.32 0.00 0.00 176.35 173.45 3cdz s GLN 2231N 0.09 2.21 0.16 1.98 0.74 -0.50 0.94 119.66 125.28 3cdz s GLN 2231Ca -0.02 -0.56 -0.20 0.00 0.05 0.00 0.00 55.36 54.64 3cdz s GLN 2231Cb -0.08 -2.09 -0.08 0.00 1.10 0.00 0.00 33.01 31.86 3cdz s GLN 2231CO 0.00 -0.26 0.66 0.08 -0.55 0.00 0.00 175.29 175.23 3cdz s VAL 2232N 1.50 4.64 -0.20 1.34 1.01 0.21 -2.48 120.40 126.42 3cdz s VAL 2232Ca 0.04 1.25 0.01 0.00 0.00 0.00 0.00 61.98 63.29 3cdz s VAL 2232Cb -0.13 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.38 3cdz s VAL 2232CO -0.10 0.37 -0.18 -0.62 0.00 0.00 0.00 175.10 174.57 3cdz s ASP 2233N -1.42 3.40 -0.02 3.32 3.68 -0.89 -2.79 116.67 121.95 3cdz s ASP 2233Ca 0.37 -0.77 -0.23 0.00 2.13 0.00 0.00 52.55 54.05 3cdz s ASP 2233Cb -0.18 -1.50 -0.05 0.00 -1.45 0.00 0.00 42.92 39.74 3cdz s ASP 2233CO 0.21 -0.03 0.69 -0.36 0.13 0.00 0.00 175.17 175.81 3cdz s PHE 2234N 1.27 3.65 -2.00 -5.34 0.40 -0.79 -4.79 117.98 110.37 3cdz s PHE 2234Ca 0.03 1.30 0.06 0.00 -0.60 0.00 0.00 56.93 57.72 3cdz s PHE 2234Cb -0.14 -2.76 0.39 0.00 0.51 0.00 0.00 43.02 41.01 3cdz s PHE 2234CO -0.11 0.20 1.00 1.04 0.70 0.00 0.00 175.22 178.05 3cdz n GLN 2235N 3.26 0.70 -4.01 0.44 6.02 -1.26 -4.77 117.38 117.75 3cdz n GLN 2235Ca -0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.84 3cdz n GLN 2235Cb 0.51 -1.14 -0.03 0.00 1.02 0.00 0.00 30.24 30.60 3cdz n GLN 2235CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3cdz s LYS 2236N -2.00 1.92 -0.21 -1.09 -2.85 -1.26 -5.15 119.74 109.10 3cdz s LYS 2236Ca 0.10 -1.60 -0.25 0.00 -1.00 0.00 0.00 55.97 53.22 3cdz s LYS 2236Cb 0.04 0.49 -0.01 0.00 -2.06 0.00 0.00 37.83 36.29 3cdz s LYS 2236CO 0.07 -0.82 0.82 0.99 0.10 0.00 0.00 175.35 176.52 3cdz s THR 2237N -3.06 4.86 0.31 3.79 2.01 -1.26 -4.67 115.64 117.62 3cdz s THR 2237Ca 0.26 1.58 0.10 0.00 0.31 0.00 0.00 61.69 63.94 3cdz s THR 2237Cb -0.01 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 3cdz s THR 2237CO 0.16 -0.02 -0.09 -0.04 -0.69 0.00 0.00 174.62 173.94 3cdz s MET 2238N 2.51 1.91 -0.05 4.92 1.00 0.16 -4.20 119.30 125.55 3cdz s MET 2238Ca 0.36 -1.77 0.04 0.00 0.00 0.00 0.00 55.69 54.32 3cdz s MET 2238Cb -0.16 -1.85 -0.02 0.00 0.00 0.00 0.00 34.83 32.80 3cdz s MET 2238CO 0.09 0.23 -0.16 0.21 0.00 0.00 0.00 175.02 175.39 3cdz s LYS 2239N -3.62 2.53 -0.07 2.03 2.20 -0.80 -0.88 119.74 121.13 3cdz s LYS 2239Ca 0.32 -0.73 0.04 0.00 -0.36 0.00 0.00 55.97 55.25 3cdz s LYS 2239Cb -0.02 -2.35 -0.00 0.00 -1.51 0.00 0.00 37.83 33.95 3cdz s LYS 2239CO 0.17 0.58 -0.21 0.08 -0.36 0.00 0.00 175.35 175.61 3cdz s VAL 2240N -0.62 1.78 -0.14 4.02 1.01 -0.52 -2.22 120.40 123.70 3cdz s VAL 2240Ca 0.09 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 3cdz s VAL 2240Cb -0.11 -1.53 -0.14 0.00 0.00 0.00 0.00 36.38 34.59 3cdz s VAL 2240CO 0.01 0.50 0.31 0.74 0.00 0.00 0.00 175.10 176.66 3cdz h THR 2241N 5.51 0.87 0.00 3.92 2.02 -1.46 -3.02 112.91 120.75 3cdz h THR 2241Ca -0.27 -1.75 0.00 0.00 0.77 0.00 0.00 66.41 65.16 3cdz h THR 2241Cb 1.20 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 3cdz h THR 2241CO 0.47 0.29 0.00 0.61 0.37 0.00 0.00 175.52 177.27 3cdz n GLY 2242N 1.62 0.62 3.66 2.16 0.00 -1.25 0.69 105.19 112.69 3cdz n GLY 2242Ca -0.11 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 3cdz n GLY 2242CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cdz s VAL 2243N -2.00 5.16 -0.37 1.61 -7.23 -0.62 -0.68 120.40 116.27 3cdz s VAL 2243Ca 0.00 0.11 -0.19 0.00 -1.81 0.00 0.00 61.98 60.09 3cdz s VAL 2243Cb 0.00 -3.37 0.01 0.00 0.56 0.00 0.00 36.38 33.57 3cdz s VAL 2243CO 0.00 0.40 0.55 -0.89 -0.31 0.00 0.00 175.10 174.85 3cdz s THR 2244N 0.73 4.96 0.28 5.32 2.01 0.26 -3.94 115.64 125.27 3cdz s THR 2244Ca 0.06 0.28 0.08 0.00 0.31 0.00 0.00 61.69 62.42 3cdz s THR 2244Cb -0.13 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 3cdz s THR 2244CO 0.02 -0.33 0.16 0.42 -0.69 0.00 0.00 174.62 174.20 3cdz s THR 2245N 2.51 3.90 -0.04 -0.82 -4.23 -1.24 -1.11 115.64 114.60 3cdz s THR 2245Ca 0.20 -1.54 -0.29 0.00 -1.18 0.00 0.00 61.69 58.87 3cdz s THR 2245Cb -0.15 -3.19 0.11 0.00 1.34 0.00 0.00 72.50 70.60 3cdz s THR 2245CO 0.15 -0.30 0.92 -1.58 -0.54 0.00 0.00 174.62 173.27 3cdz s GLN 2246N -3.83 0.75 0.00 3.99 0.74 -0.65 -1.32 119.66 119.33 3cdz s GLN 2246Ca 0.35 -0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.53 3cdz s GLN 2246Cb -0.07 0.35 0.00 0.00 1.10 0.00 0.00 33.01 34.39 3cdz s GLN 2246CO 0.24 -0.32 0.00 0.41 -0.55 0.00 0.00 175.29 175.07 3cdz n GLY 2247N -0.10 2.80 3.38 2.59 0.00 -1.23 -2.17 105.19 110.46 3cdz n GLY 2247Ca -0.08 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 3cdz n GLY 2247CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cdz s VAL 2248N 0.34 2.27 -0.76 1.61 -7.23 0.32 -4.51 120.40 112.44 3cdz s VAL 2248Ca 0.00 -1.50 -0.16 0.00 -1.81 0.00 0.00 61.98 58.51 3cdz s VAL 2248Cb 0.00 -1.94 0.18 0.00 0.56 0.00 0.00 36.38 35.18 3cdz s VAL 2248CO 0.00 0.26 0.76 -1.59 -0.31 0.00 0.00 175.10 174.21 3cdz s LYS 2249N -1.58 3.42 -0.03 4.82 -2.85 -1.26 -2.27 119.74 120.00 3cdz s LYS 2249Ca 0.13 -2.10 0.07 0.00 -1.00 0.00 0.00 55.97 53.06 3cdz s LYS 2249Cb -0.10 -4.45 0.25 0.00 -2.06 0.00 0.00 37.83 31.47 3cdz s LYS 2249CO 0.04 -1.39 1.09 0.45 0.10 0.00 0.00 175.35 175.64 3cdz n SER 2250N 4.81 1.91 0.00 0.03 2.88 -1.15 -4.87 113.62 117.23 3cdz n SER 2250Ca 0.07 -2.13 0.00 0.00 -1.33 0.00 0.00 58.87 55.48 3cdz n SER 2250Cb 0.45 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 3cdz n SER 2250CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3cdz n LEU 2251N 0.25 0.00 0.00 2.46 7.99 -1.26 -4.50 117.00 121.93 3cdz n LEU 2251Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.09 3cdz n LEU 2251Cb 0.37 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.68 3cdz n LEU 2251CO 0.08 0.00 0.01 -0.11 -1.51 0.00 0.00 177.39 175.86 3cdz n LEU 2252N 0.00 0.01 0.00 2.23 7.94 -1.26 -5.04 117.00 120.88 3cdz n LEU 2252Ca 0.00 0.01 -0.24 0.00 -1.11 0.00 0.00 56.01 54.68 3cdz n LEU 2252Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 3cdz n LEU 2252CO 0.00 0.00 -0.15 0.35 -1.11 0.00 0.00 177.39 176.48 3cdz n THR 2253N -0.02 0.00 -1.95 1.96 -2.24 -1.26 -5.15 114.28 105.62 3cdz n THR 2253Ca 0.00 -2.20 -0.35 0.00 -2.27 0.00 0.00 64.05 59.23 3cdz n THR 2253Cb 0.00 0.78 0.03 0.00 -2.10 0.00 0.00 70.33 69.05 3cdz n THR 2253CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3cdz s SER 2254N -3.33 5.20 -0.22 3.42 0.01 -1.26 -2.92 113.70 114.61 3cdz s SER 2254Ca 0.19 2.22 -0.10 0.00 1.31 0.00 0.00 55.95 59.56 3cdz s SER 2254Cb 0.01 -2.58 0.08 0.00 0.21 0.00 0.00 66.02 63.74 3cdz s SER 2254CO 0.13 -1.57 0.51 -0.04 0.41 0.00 0.00 173.24 172.68 3cdz s MET 2255N -3.59 0.48 0.18 12.44 -1.94 -0.96 -4.60 119.30 121.30 3cdz s MET 2255Ca 0.73 1.04 -0.24 0.00 -1.71 0.00 0.00 55.69 55.51 3cdz s MET 2255Cb -0.26 0.21 0.06 0.00 2.01 0.00 0.00 34.83 36.85 3cdz s MET 2255CO 0.35 -0.18 0.78 1.52 -0.01 0.00 0.00 175.02 177.48 3cdz s TYR 2256N 1.92 -0.28 -0.19 -0.03 -0.85 -1.26 0.12 117.35 116.79 3cdz s TYR 2256Ca -0.07 -0.03 -0.04 0.00 -0.52 0.00 0.00 57.07 56.41 3cdz s TYR 2256Cb -0.09 0.63 -0.02 0.00 0.38 0.00 0.00 41.96 42.86 3cdz s TYR 2256CO -0.15 -0.93 -0.04 0.08 -1.52 0.00 0.00 175.55 172.98 3cdz s VAL 2257N -3.59 3.65 -0.04 -3.49 1.01 -1.26 -1.85 120.40 114.83 3cdz s VAL 2257Ca 0.08 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 3cdz s VAL 2257Cb -0.03 -2.63 -0.31 0.00 0.00 0.00 0.00 36.38 33.41 3cdz s VAL 2257CO -0.01 0.45 0.80 0.50 0.00 0.00 0.00 175.10 176.84 3cdz h LYS 2258N 7.37 0.37 -3.72 2.72 1.63 -0.18 -0.94 116.57 123.81 3cdz h LYS 2258Ca -0.35 -0.63 -0.19 0.00 -0.85 0.00 0.00 60.65 58.63 3cdz h LYS 2258Cb 1.18 0.23 -0.25 0.00 -0.60 0.00 0.00 32.23 32.80 3cdz h LYS 2258CO 0.60 1.30 -0.66 -1.21 -3.45 0.00 0.00 179.45 176.04 3cdz s GLU 2259N -2.51 0.19 0.27 1.90 2.02 0.02 -1.14 118.70 119.45 3cdz s GLU 2259Ca -0.14 -0.21 -0.08 0.00 0.02 0.00 0.00 54.97 54.56 3cdz s GLU 2259Cb 0.03 0.07 -0.01 0.00 0.10 0.00 0.00 34.13 34.33 3cdz s GLU 2259CO 0.85 -0.03 0.42 -0.59 0.02 0.00 0.00 175.26 175.93 3cdz s PHE 2260N -0.62 0.71 0.37 1.61 -0.12 -1.15 0.24 117.98 119.03 3cdz s PHE 2260Ca -0.07 -1.01 0.09 0.00 -0.05 0.00 0.00 56.93 55.89 3cdz s PHE 2260Cb -0.04 -0.02 -0.07 0.00 -0.63 0.00 0.00 43.02 42.26 3cdz s PHE 2260CO -0.00 -0.98 -0.05 -0.51 -0.05 0.00 0.00 175.22 173.63 3cdz s LEU 2261N -3.11 2.79 0.08 -1.99 1.43 0.50 -1.08 118.68 117.30 3cdz s LEU 2261Ca 0.28 -1.27 0.05 0.00 -1.03 0.00 0.00 54.13 52.16 3cdz s LEU 2261Cb 0.01 -0.96 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 3cdz s LEU 2261CO 0.13 -0.30 -0.12 -0.63 0.23 0.00 0.00 176.35 175.65 3cdz s ILE 2262N -2.65 1.04 0.05 -0.59 1.01 -1.26 0.29 121.20 119.08 3cdz s ILE 2262Ca 0.33 -1.43 0.05 0.00 0.00 0.00 0.00 60.65 59.61 3cdz s ILE 2262Cb 0.05 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 3cdz s ILE 2262CO 0.17 -0.35 -0.14 -0.94 0.00 0.00 0.00 174.94 173.67 3cdz s SER 2263N -2.01 1.69 0.22 3.58 1.04 -0.64 -0.86 113.70 116.72 3cdz s SER 2263Ca 0.01 -0.50 0.11 0.00 0.48 0.00 0.00 55.95 56.05 3cdz s SER 2263Cb -0.07 -0.09 -0.05 0.00 0.10 0.00 0.00 66.02 65.91 3cdz s SER 2263CO 0.02 0.01 -0.20 -0.94 0.98 0.00 0.00 173.24 173.10 3cdz s SER 2264N -1.29 3.61 0.04 7.02 1.04 -0.43 -1.81 113.70 121.88 3cdz s SER 2264Ca 0.01 -0.88 -0.17 0.00 0.48 0.00 0.00 55.95 55.39 3cdz s SER 2264Cb -0.08 -0.34 0.03 0.00 0.10 0.00 0.00 66.02 65.73 3cdz s SER 2264CO 0.02 0.09 0.39 -0.55 0.98 0.00 0.00 173.24 174.16 3cdz s SER 2265N -2.97 -0.25 -0.15 7.02 0.15 -0.72 -0.83 113.70 115.96 3cdz s SER 2265Ca 0.24 -0.05 0.04 0.00 0.70 0.00 0.00 55.95 56.89 3cdz s SER 2265Cb -0.07 0.41 -0.12 0.00 -1.71 0.00 0.00 66.02 64.53 3cdz s SER 2265CO 0.12 -0.65 -0.08 0.00 1.20 0.00 0.00 173.24 173.83 3cdz n GLN 2266N 0.53 0.89 0.07 5.44 1.13 -1.26 -2.67 117.38 121.50 3cdz n GLN 2266Ca -0.19 0.06 -0.15 0.00 -1.94 0.00 0.00 57.00 54.79 3cdz n GLN 2266Cb 0.60 -1.32 -0.06 0.00 0.11 0.00 0.00 30.24 29.57 3cdz n GLN 2266CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 3cdz h ASP 2267N 0.00 0.59 0.00 1.08 -0.00 -1.97 -3.47 116.42 112.65 3cdz h ASP 2267Ca -0.35 -0.48 0.00 0.00 -0.00 0.00 0.00 57.03 56.20 3cdz h ASP 2267Cb 1.62 -0.18 0.00 0.00 -0.00 0.00 0.00 39.33 40.77 3cdz h ASP 2267CO -0.03 1.28 0.00 0.61 -0.00 0.00 0.00 179.24 181.10 3cdz n GLY 2268N 1.00 0.67 0.00 7.15 0.00 -1.26 -4.85 105.19 107.89 3cdz n GLY 2268Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3cdz n GLY 2268CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3cdz n HIS 2269N -2.64 0.00 -4.06 1.61 8.25 -1.26 -5.08 115.22 112.03 3cdz n HIS 2269Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 3cdz n HIS 2269Cb 0.00 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 30.98 3cdz n HIS 2269CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3cdz s GLN 2270N -0.27 0.35 -0.15 -0.41 0.74 -1.26 -5.16 119.66 113.51 3cdz s GLN 2270Ca 0.00 -0.32 -0.00 0.00 0.05 0.00 0.00 55.36 55.09 3cdz s GLN 2270Cb 0.00 -0.25 0.03 0.00 1.10 0.00 0.00 33.01 33.89 3cdz s GLN 2270CO 0.00 0.06 -0.08 -1.58 -0.55 0.00 0.00 175.29 173.14 3cdz s TRP 2271N -0.50 1.75 -0.41 1.67 0.52 -1.26 -4.63 118.94 116.07 3cdz s TRP 2271Ca -0.03 -1.02 -0.18 0.00 0.02 0.00 0.00 56.10 54.90 3cdz s TRP 2271Cb -0.04 -1.35 0.02 0.00 -1.15 0.00 0.00 33.47 30.94 3cdz s TRP 2271CO -0.00 -0.60 0.49 0.99 0.02 0.00 0.00 176.95 177.85 3cdz s THR 2272N 1.62 5.03 0.90 2.01 2.01 -0.01 -4.90 115.64 122.29 3cdz s THR 2272Ca 0.03 -0.14 -0.13 0.00 0.31 0.00 0.00 61.69 61.76 3cdz s THR 2272Cb -0.14 -4.05 0.18 0.00 0.01 0.00 0.00 72.50 68.49 3cdz s THR 2272CO -0.08 -0.42 1.24 -1.48 -0.69 0.00 0.00 174.62 173.19 3cdz s LEU 2273N 2.31 2.76 0.20 4.42 0.05 -1.26 -1.31 118.68 125.84 3cdz s LEU 2273Ca 0.15 0.18 -0.20 0.00 0.05 0.00 0.00 54.13 54.31 3cdz s LEU 2273Cb -0.16 -2.32 -0.08 0.00 -2.05 0.00 0.00 46.19 41.58 3cdz s LEU 2273CO 0.15 -2.49 0.70 0.12 -0.55 0.00 0.00 176.35 174.27 3cdz s PHE 2274N -3.71 3.68 0.12 3.48 2.19 -0.04 -4.74 117.98 118.95 3cdz s PHE 2274Ca 0.71 1.37 0.04 0.00 0.33 0.00 0.00 56.93 59.38 3cdz s PHE 2274Cb -0.05 -2.60 -0.04 0.00 -1.31 0.00 0.00 43.02 39.02 3cdz s PHE 2274CO 0.51 0.38 -0.10 -0.06 1.83 0.00 0.00 175.22 177.78 3cdz s PHE 2275N -1.45 1.12 0.00 10.12 0.40 -1.26 -3.56 117.98 123.35 3cdz s PHE 2275Ca 0.41 -0.73 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 3cdz s PHE 2275Cb -0.17 -0.60 0.00 0.00 0.51 0.00 0.00 43.02 42.76 3cdz s PHE 2275CO 0.21 0.01 0.00 1.04 0.70 0.00 0.00 175.22 177.19 3cdz n GLN 2276N 0.20 0.00 0.00 0.44 1.13 -0.63 -4.76 117.38 113.75 3cdz n GLN 2276Ca -0.13 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.00 3cdz n GLN 2276Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.94 3cdz n GLN 2276CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3cdz n ASN 2277N 0.00 1.54 0.00 1.08 0.23 -1.26 -4.96 115.26 111.89 3cdz n ASN 2277Ca 0.00 -1.27 0.00 0.00 -0.53 0.00 0.00 54.58 52.78 3cdz n ASN 2277Cb 0.00 0.44 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 3cdz n ASN 2277CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3cdz n GLY 2278N 1.06 3.30 0.00 4.83 0.00 -1.26 -5.16 105.19 107.95 3cdz n GLY 2278Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3cdz n GLY 2278CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cdz n LYS 2279N 0.00 -0.62 -0.79 1.61 4.76 -1.26 -4.95 118.16 116.90 3cdz n LYS 2279Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 3cdz n LYS 2279Cb 0.00 0.00 0.15 0.00 -1.84 0.00 0.00 35.03 33.34 3cdz n LYS 2279CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3cdz s VAL 2280N -0.97 2.28 -0.47 -0.18 -7.23 -1.26 -1.61 120.40 110.97 3cdz s VAL 2280Ca 0.00 0.09 -0.23 0.00 -1.81 0.00 0.00 61.98 60.03 3cdz s VAL 2280Cb 0.00 -2.19 0.03 0.00 0.56 0.00 0.00 36.38 34.78 3cdz s VAL 2280CO 0.00 -0.12 0.82 -0.75 -0.31 0.00 0.00 175.10 174.74 3cdz s LYS 2281N -4.69 3.40 -0.60 4.82 2.47 -1.23 -4.57 119.74 119.33 3cdz s LYS 2281Ca 0.66 -0.11 -0.28 0.00 -1.56 0.00 0.00 55.97 54.68 3cdz s LYS 2281Cb -0.22 -3.96 0.01 0.00 -1.46 0.00 0.00 37.83 32.21 3cdz s LYS 2281CO 0.58 -1.19 1.41 0.08 0.16 0.00 0.00 175.35 176.39 3cdz s VAL 2282N 3.42 3.76 0.01 4.02 1.01 -1.26 -4.47 120.40 126.90 3cdz s VAL 2282Ca 0.30 0.61 -0.25 0.00 0.00 0.00 0.00 61.98 62.64 3cdz s VAL 2282Cb -0.12 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.71 3cdz s VAL 2282CO 0.22 -1.28 0.76 -0.36 0.00 0.00 0.00 175.10 174.44 3cdz s PHE 2283N 6.15 3.69 -0.73 5.22 0.40 -0.24 -4.93 117.98 127.53 3cdz s PHE 2283Ca 0.50 1.43 -0.27 0.00 -0.60 0.00 0.00 56.93 57.98 3cdz s PHE 2283Cb -0.10 -2.83 0.03 0.00 0.51 0.00 0.00 43.02 40.62 3cdz s PHE 2283CO 0.23 0.21 1.29 -0.65 0.70 0.00 0.00 175.22 177.00 3cdz s GLN 2284N 0.25 3.19 0.00 0.44 -1.52 -1.26 -2.92 119.66 117.84 3cdz s GLN 2284Ca 0.39 -0.18 0.00 0.00 -1.95 0.00 0.00 55.36 53.62 3cdz s GLN 2284Cb -0.20 -4.18 0.00 0.00 -0.22 0.00 0.00 33.01 28.42 3cdz s GLN 2284CO 0.22 -2.14 0.00 0.41 -0.25 0.00 0.00 175.29 173.53 3cdz n GLY 2285N 5.37 1.71 3.01 3.09 0.00 -0.29 -4.93 105.19 113.16 3cdz n GLY 2285Ca 0.04 -1.95 -0.28 0.00 0.00 0.00 0.00 46.02 43.83 3cdz n GLY 2285CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cdz n ASN 2286N 0.00 -3.16 0.00 1.61 3.02 -0.36 -4.90 115.26 111.47 3cdz n ASN 2286Ca 0.00 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 3cdz n ASN 2286Cb 0.00 -0.91 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 3cdz n ASN 2286CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cdz n GLN 2287N -5.09 0.00 -3.70 3.52 10.64 -1.26 -4.52 117.38 116.96 3cdz n GLN 2287Ca 0.13 -0.12 -0.10 0.00 -1.83 0.00 0.00 57.00 55.08 3cdz n GLN 2287Cb 0.54 -0.15 -0.04 0.00 -0.86 0.00 0.00 30.24 29.73 3cdz n GLN 2287CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 3cdz s ASP 2288N 0.00 -0.25 0.32 2.61 3.84 -1.26 -5.03 116.67 116.90 3cdz s ASP 2288Ca 0.00 -0.43 0.09 0.00 -0.00 0.00 0.00 52.55 52.21 3cdz s ASP 2288Cb 0.00 0.54 0.85 0.00 -1.38 0.00 0.00 42.92 42.93 3cdz s ASP 2288CO 0.00 -0.98 1.75 0.28 -0.00 0.00 0.00 175.17 176.23 3cdz h SER 2289N 2.26 0.70 0.00 2.11 0.02 -1.80 -3.25 113.55 113.59 3cdz h SER 2289Ca -0.31 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3cdz h SER 2289Cb 1.26 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3cdz h SER 2289CO 0.41 0.17 0.00 2.22 -1.14 0.00 0.00 176.83 178.49 3cdz n PHE 2290N -4.81 0.00 -1.89 3.45 1.16 -1.26 -3.13 117.46 110.97 3cdz n PHE 2290Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.83 3cdz n PHE 2290Cb 0.69 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.56 3cdz n PHE 2290CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 3cdz n THR 2291N 0.00 -8.68 -2.58 1.97 -1.04 -1.26 -4.25 114.28 98.43 3cdz n THR 2291Ca 0.00 2.21 -0.22 0.00 -2.04 0.00 0.00 64.05 63.99 3cdz n THR 2291Cb 0.00 -3.71 0.06 0.00 -1.82 0.00 0.00 70.33 64.86 3cdz n THR 2291CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3cdz s PRO 2292N -0.33 2.25 -0.27 -2.82 0.04 -1.26 -4.57 135.00 128.05 3cdz s PRO 2292Ca 0.00 -0.83 0.01 0.00 0.04 0.00 0.00 61.00 60.22 3cdz s PRO 2292Cb 0.00 -2.41 0.08 0.00 0.04 0.00 0.00 34.50 32.21 3cdz s PRO 2292CO 0.00 -0.99 0.00 0.08 0.04 0.00 0.00 177.00 176.13 3cdz s VAL 2293N -2.92 1.48 -0.22 -0.36 1.01 -0.44 -4.91 120.40 114.04 3cdz s VAL 2293Ca 0.60 -1.43 -0.23 0.00 0.00 0.00 0.00 61.98 60.92 3cdz s VAL 2293Cb -0.09 -1.89 -0.27 0.00 0.00 0.00 0.00 36.38 34.13 3cdz s VAL 2293CO 0.41 -0.31 1.48 1.33 0.00 0.00 0.00 175.10 178.01 3cdz n VAL 2294N 4.65 0.00 -3.69 2.92 0.24 -1.26 -3.73 118.33 117.46 3cdz n VAL 2294Ca -0.07 -0.11 -0.38 0.00 -2.04 0.00 0.00 64.34 61.74 3cdz n VAL 2294Cb 0.43 -1.56 -0.10 0.00 -1.47 0.00 0.00 33.84 31.14 3cdz n VAL 2294CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3cdz s ASN 2295N 6.26 5.42 0.47 -1.34 2.47 -1.25 -5.08 114.94 121.88 3cdz s ASN 2295Ca 0.56 -1.92 0.05 0.00 0.42 0.00 0.00 52.86 51.97 3cdz s ASN 2295Cb 0.08 -1.90 -0.02 0.00 -1.45 0.00 0.00 41.25 37.96 3cdz s ASN 2295CO 0.24 -0.58 0.17 -0.94 -3.72 0.00 0.00 177.10 172.27 3cdz s SER 2296N 2.11 4.35 -0.09 -4.21 1.04 -1.26 -1.59 113.70 114.04 3cdz s SER 2296Ca 0.07 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.19 3cdz s SER 2296Cb -0.24 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 3cdz s SER 2296CO -0.02 -0.76 -0.09 -0.76 0.98 0.00 0.00 173.24 172.59 3cdz s LEU 2297N -3.98 3.03 0.03 2.42 1.43 0.22 -4.91 118.68 116.92 3cdz s LEU 2297Ca 0.29 -0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 52.98 3cdz s LEU 2297Cb 0.02 -1.67 -0.16 0.00 0.03 0.00 0.00 46.19 44.41 3cdz s LEU 2297CO 0.16 0.29 1.24 -0.78 0.23 0.00 0.00 176.35 177.50 3cdz h ASP 2298N 5.77 -0.88 -3.56 2.29 1.82 -1.94 -3.34 116.42 116.58 3cdz h ASP 2298Ca -0.41 0.03 -0.62 0.00 -0.39 0.00 0.00 57.03 55.64 3cdz h ASP 2298Cb 1.18 0.23 -0.12 0.00 0.68 0.00 0.00 39.33 41.29 3cdz h ASP 2298CO 0.54 -0.54 0.28 -2.16 -1.61 0.00 0.00 179.24 175.76 3cdz s PRO 2299N -4.99 3.65 -0.27 0.28 0.04 -1.26 -4.99 135.00 127.46 3cdz s PRO 2299Ca -0.15 0.13 -0.39 0.00 0.04 0.00 0.00 61.00 60.63 3cdz s PRO 2299Cb 0.02 -3.84 -0.15 0.00 0.04 0.00 0.00 34.50 30.57 3cdz s PRO 2299CO 0.46 -0.86 1.82 -2.30 0.04 0.00 0.00 177.00 176.15 3cdz n PRO 2300N 6.34 1.27 -2.70 0.56 -0.02 -1.25 -4.84 135.00 134.35 3cdz n PRO 2300Ca 0.01 0.46 -0.43 0.00 -2.02 0.00 0.00 63.50 61.52 3cdz n PRO 2300Cb 0.48 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 3cdz n PRO 2300CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3cdz s LEU 2301N 4.05 4.03 -0.40 2.45 0.20 -1.14 -4.83 118.68 123.05 3cdz s LEU 2301Ca 0.99 1.14 -0.19 0.00 0.69 0.00 0.00 54.13 56.76 3cdz s LEU 2301Cb -1.01 -3.46 0.01 0.00 -0.43 0.00 0.00 46.19 41.31 3cdz s LEU 2301CO 0.62 -0.73 0.55 -0.76 -0.29 0.00 0.00 176.35 175.74 3cdz s LEU 2302N 3.32 4.49 0.00 -0.68 1.02 -1.26 -1.44 118.68 124.13 3cdz s LEU 2302Ca 0.42 -0.25 -0.06 0.00 0.02 0.00 0.00 54.13 54.26 3cdz s LEU 2302Cb -0.14 -2.61 0.03 0.00 0.02 0.00 0.00 46.19 43.49 3cdz s LEU 2302CO 0.11 -0.61 0.41 1.07 0.02 0.00 0.00 176.35 177.35 3cdz n THR 2303N 5.59 0.00 -0.03 5.49 5.66 -0.06 -4.97 114.28 125.96 3cdz n THR 2303Ca -0.04 -0.76 0.00 0.00 -3.05 0.00 0.00 64.05 60.20 3cdz n THR 2303Cb 0.48 0.62 0.00 0.00 -1.55 0.00 0.00 70.33 69.88 3cdz n THR 2303CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 3cdz n ARG 2304N -0.33 3.97 -3.92 1.09 0.63 -1.15 0.38 116.66 117.33 3cdz n ARG 2304Ca -0.03 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.59 3cdz n ARG 2304Cb 0.36 -0.33 -0.15 0.00 0.45 0.00 0.00 32.46 32.78 3cdz n ARG 2304CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3cdz s TYR 2305N 0.00 2.48 -0.19 -0.14 1.51 -1.09 -1.89 117.35 118.03 3cdz s TYR 2305Ca 0.00 -1.92 -0.05 0.00 -1.01 0.00 0.00 57.07 54.09 3cdz s TYR 2305Cb 0.00 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 40.04 3cdz s TYR 2305CO 0.00 -0.81 -0.02 -1.17 -1.11 0.00 0.00 175.55 172.44 3cdz s LEU 2306N 1.36 3.19 -0.09 -1.29 2.96 -1.12 -1.75 118.68 121.93 3cdz s LEU 2306Ca -0.01 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3cdz s LEU 2306Cb -0.19 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.70 3cdz s LEU 2306CO -0.09 0.07 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.66 3cdz s ARG 2307N 0.95 2.84 -0.03 1.98 0.52 -0.75 -0.62 118.95 123.84 3cdz s ARG 2307Ca 0.01 -0.81 -0.21 0.00 -0.52 0.00 0.00 55.73 54.19 3cdz s ARG 2307Cb -0.14 -2.17 -0.05 0.00 0.52 0.00 0.00 34.95 33.11 3cdz s ARG 2307CO 0.01 0.16 0.62 0.42 0.02 0.00 0.00 175.30 176.54 3cdz s ILE 2308N 0.37 4.96 -0.51 1.52 -1.09 0.27 -1.63 121.20 125.10 3cdz s ILE 2308Ca -0.18 1.30 0.04 0.00 -2.23 0.00 0.00 60.65 59.57 3cdz s ILE 2308Cb -0.18 -3.96 0.13 0.00 -1.58 0.00 0.00 42.46 36.87 3cdz s ILE 2308CO 0.08 0.36 0.27 -1.00 -1.23 0.00 0.00 174.94 173.42 3cdz s HIS 2309N 0.18 2.92 0.24 3.97 3.76 0.14 -1.53 115.29 124.98 3cdz s HIS 2309Ca 0.33 -3.01 -0.31 0.00 -0.15 0.00 0.00 55.06 51.91 3cdz s HIS 2309Cb -0.18 -2.59 -0.12 0.00 1.11 0.00 0.00 32.58 30.80 3cdz s HIS 2309CO 0.17 -0.74 1.68 -1.25 -0.85 0.00 0.00 174.74 173.75 3cdz s PRO 2310N -0.20 4.12 -0.03 8.40 0.04 -1.25 0.19 135.00 146.26 3cdz s PRO 2310Ca 0.18 2.61 -0.05 0.00 0.04 0.00 0.00 61.00 63.78 3cdz s PRO 2310Cb -0.24 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 3cdz s PRO 2310CO -0.01 -0.72 -0.10 1.04 0.04 0.00 0.00 177.00 177.26 3cdz n GLN 2311N 3.32 0.15 -4.69 4.56 1.13 0.14 -4.55 117.38 117.43 3cdz n GLN 2311Ca 0.13 0.06 -0.30 0.00 -1.94 0.00 0.00 57.00 54.95 3cdz n GLN 2311Cb 0.36 -0.64 -0.14 0.00 0.11 0.00 0.00 30.24 29.93 3cdz n GLN 2311CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3cdz s SER 2312N -5.20 3.30 0.00 1.08 0.01 -0.68 -4.76 113.70 107.46 3cdz s SER 2312Ca -0.08 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.55 3cdz s SER 2312Cb 0.01 -0.30 -0.00 0.00 0.21 0.00 0.00 66.02 65.94 3cdz s SER 2312CO 0.12 0.23 0.00 -2.67 0.41 0.00 0.00 173.24 171.33 3cdz n TRP 2313N 1.43 -0.06 0.00 2.43 2.14 -1.26 0.50 117.44 122.63 3cdz n TRP 2313Ca -0.17 -0.03 0.00 0.00 2.07 0.00 0.00 57.50 59.37 3cdz n TRP 2313Cb 0.52 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.03 3cdz n TRP 2313CO 0.00 0.00 0.00 1.55 2.07 0.00 0.00 177.69 181.31 3cdz n VAL 2314N -0.01 0.00 -0.03 -1.67 3.14 -0.77 -4.66 118.33 114.33 3cdz n VAL 2314Ca 0.00 0.29 -0.06 0.00 -2.96 0.00 0.00 64.34 61.62 3cdz n VAL 2314Cb 0.01 -1.29 -0.02 0.00 -1.06 0.00 0.00 33.84 31.47 3cdz n VAL 2314CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3cdz n HIS 2315N -2.08 0.00 -4.18 1.45 8.25 -1.26 -5.04 115.22 112.36 3cdz n HIS 2315Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 3cdz n HIS 2315Cb 0.00 -0.22 -0.10 0.00 1.12 0.00 0.00 29.99 30.79 3cdz n HIS 2315CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3cdz s GLN 2316N -2.11 1.01 -0.19 -0.41 -1.52 -1.26 -5.10 119.66 110.07 3cdz s GLN 2316Ca -0.08 -1.49 -0.29 0.00 -1.95 0.00 0.00 55.36 51.54 3cdz s GLN 2316Cb 0.03 0.12 -0.00 0.00 -0.22 0.00 0.00 33.01 32.93 3cdz s GLN 2316CO 0.12 -0.25 1.14 0.42 -0.25 0.00 0.00 175.29 176.47 3cdz s ILE 2317N -3.97 4.50 -0.07 1.08 1.01 -1.26 -3.99 121.20 118.51 3cdz s ILE 2317Ca 0.26 1.81 -0.03 0.00 0.00 0.00 0.00 60.65 62.70 3cdz s ILE 2317Cb 0.07 -4.17 0.04 0.00 0.01 0.00 0.00 42.46 38.41 3cdz s ILE 2317CO 0.04 -0.15 0.14 0.00 0.00 0.00 0.00 174.94 174.97 3cdz s ALA 2318N 3.24 -0.14 -0.09 9.38 0.00 -1.26 -4.33 121.76 128.55 3cdz s ALA 2318Ca 0.49 0.55 -0.02 0.00 0.00 0.00 0.00 51.96 52.98 3cdz s ALA 2318Cb -0.18 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.31 3cdz s ALA 2318CO 0.11 -0.42 0.01 -1.17 0.00 0.00 0.00 175.76 174.29 3cdz s LEU 2319N 1.90 0.64 -0.14 0.00 2.96 -0.67 -3.99 118.68 119.39 3cdz s LEU 2319Ca -0.01 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.66 3cdz s LEU 2319Cb -0.12 -0.44 -0.03 0.00 0.50 0.00 0.00 46.19 46.11 3cdz s LEU 2319CO -0.05 -0.22 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.58 3cdz s ARG 2320N 1.97 3.54 0.09 1.98 0.52 -0.92 -1.95 118.95 124.17 3cdz s ARG 2320Ca 0.04 -0.53 -0.00 0.00 -0.52 0.00 0.00 55.73 54.71 3cdz s ARG 2320Cb -0.13 -2.85 0.00 0.00 0.52 0.00 0.00 34.95 32.49 3cdz s ARG 2320CO -0.06 0.30 0.12 0.00 0.02 0.00 0.00 175.30 175.69 3cdz n MET 2321N 3.35 0.18 -3.59 3.54 0.00 -1.15 -1.64 117.12 117.80 3cdz n MET 2321Ca -0.18 -0.71 -0.10 0.00 0.00 0.00 0.00 57.70 56.72 3cdz n MET 2321Cb 0.53 0.68 -0.06 0.00 0.00 0.00 0.00 33.22 34.37 3cdz n MET 2321CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 3cdz s GLU 2322N -2.20 0.55 0.02 3.17 2.56 -0.27 -0.38 118.70 122.15 3cdz s GLU 2322Ca 0.07 0.24 0.03 0.00 0.00 0.00 0.00 54.97 55.31 3cdz s GLU 2322Cb -0.00 0.26 -0.04 0.00 2.00 0.00 0.00 34.13 36.35 3cdz s GLU 2322CO 0.05 -0.15 -0.03 0.08 -0.56 0.00 0.00 175.26 174.65 3cdz s VAL 2323N -0.79 3.91 -0.10 3.70 1.01 -1.26 0.91 120.40 127.78 3cdz s VAL 2323Ca -0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 3cdz s VAL 2323Cb -0.02 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3cdz s VAL 2323CO -0.01 0.34 0.02 -0.76 0.00 0.00 0.00 175.10 174.69 3cdz s LEU 2324N -1.63 3.69 0.00 3.92 1.43 0.15 -0.38 118.68 125.86 3cdz s LEU 2324Ca 0.20 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 3cdz s LEU 2324Cb -0.11 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.25 3cdz s LEU 2324CO 0.10 0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.65 3cdz n GLY 2325N 2.28 -0.03 0.00 -3.19 0.00 -0.58 -1.30 105.19 102.37 3cdz n GLY 2325Ca -0.19 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.57 3cdz n GLY 2325CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cdz s GLU 2327N 4.52 0.80 0.00 0.00 1.03 -1.26 -1.91 118.70 121.88 3cdz s GLU 2327Ca 0.00 0.96 0.00 0.00 0.03 0.00 0.00 54.97 55.96 3cdz s GLU 2327Cb 0.00 0.39 0.00 0.00 -0.80 0.00 0.00 34.13 33.72 3cdz s GLU 2327CO 0.00 -0.10 0.00 0.00 -1.33 0.00 0.00 175.26 173.83 3cdz n ALA 2328N 2.73 0.00 -0.86 -0.84 0.00 -1.26 -4.85 120.51 115.42 3cdz n ALA 2328Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.95 3cdz n ALA 2328Cb 0.55 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.10 3cdz n ALA 2328CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cdz n GLN 2329N 0.00 -0.43 -3.33 0.00 -0.00 -1.26 -4.90 117.38 107.46 3cdz n GLN 2329Ca 0.00 -0.11 -0.46 0.00 -0.00 0.00 0.00 57.00 56.44 3cdz n GLN 2329Cb 0.00 -1.43 -0.05 0.00 -0.00 0.00 0.00 30.24 28.77 3cdz n GLN 2329CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3cdz s ASP 2330N -1.51 6.22 0.00 2.61 2.15 -1.26 -4.67 116.67 120.21 3cdz s ASP 2330Ca 0.48 -1.93 0.00 0.00 0.43 0.00 0.00 52.55 51.54 3cdz s ASP 2330Cb -0.13 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 3cdz s ASP 2330CO 0.72 -0.81 0.00 0.18 -0.17 0.00 0.00 175.17 175.09 3cdz n LEU 2331N 5.04 0.00 0.00 -1.34 7.99 -1.26 -4.94 117.00 122.49 3cdz n LEU 2331Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 3cdz n LEU 2331Cb 0.41 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 3cdz n LEU 2331CO 0.50 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.38