#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvh s ALA 1607N 0.00 1.45 0.26 0.00 0.00 -1.26 -0.29 121.76 121.92 1wvh s ALA 1607Ca 0.00 -0.67 0.12 0.00 0.00 0.00 0.00 51.96 51.41 1wvh s ALA 1607Cb 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1wvh s ALA 1607CO 0.00 0.28 -0.20 0.00 0.00 0.00 0.00 175.76 175.84 1wvh s ASN 1609N -3.34 5.75 0.26 0.00 0.01 -1.26 -0.28 114.94 116.09 1wvh s ASN 1609Ca 0.28 -0.00 -0.02 0.00 -0.71 0.00 0.00 52.86 52.41 1wvh s ASN 1609Cb -0.05 -2.03 -0.02 0.00 0.41 0.00 0.00 41.25 39.55 1wvh s ASN 1609CO 0.14 0.04 0.30 0.68 -1.51 0.00 0.00 177.10 176.74 1wvh s VAL 1610N 1.21 0.00 -0.23 1.60 -7.23 -0.94 -4.10 120.40 110.71 1wvh s VAL 1610Ca 0.06 -1.80 -0.10 0.00 -1.81 0.00 0.00 61.98 58.33 1wvh s VAL 1610Cb -0.14 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 1wvh s VAL 1610CO 0.05 0.00 0.14 -0.76 -0.31 0.00 0.00 175.10 174.22 1wvh s LEU 1611N -3.19 4.07 -0.03 1.32 1.43 -0.41 -0.76 118.68 121.12 1wvh s LEU 1611Ca 0.34 0.11 -0.24 0.00 -1.03 0.00 0.00 54.13 53.30 1wvh s LEU 1611Cb 0.03 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1wvh s LEU 1611CO 0.16 0.08 0.74 0.12 0.23 0.00 0.00 176.35 177.69 1wvh s PHE 1612N 0.94 3.64 -0.19 0.29 5.36 0.72 -0.70 117.98 128.04 1wvh s PHE 1612Ca 0.07 1.36 -0.08 0.00 -0.96 0.00 0.00 56.93 57.32 1wvh s PHE 1612Cb -0.13 -2.83 -0.09 0.00 -0.34 0.00 0.00 43.02 39.63 1wvh s PHE 1612CO 0.03 0.14 -0.23 -0.89 -1.46 0.00 0.00 175.22 172.81 1wvh n ILE 1613N 3.47 1.03 -3.58 3.12 2.08 0.27 -1.65 119.36 124.11 1wvh n ILE 1613Ca -0.01 -0.28 -0.05 0.00 0.56 0.00 0.00 62.75 62.97 1wvh n ILE 1613Cb 0.51 -1.67 -0.02 0.00 -0.75 0.00 0.00 39.64 37.71 1wvh n ILE 1613CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1wvh s ASN 1614N -6.56 -0.19 -0.07 4.38 2.47 -1.16 -4.58 114.94 109.23 1wvh s ASN 1614Ca -0.26 -0.02 0.04 0.00 0.42 0.00 0.00 52.86 53.04 1wvh s ASN 1614Cb 0.10 0.22 0.00 0.00 -1.45 0.00 0.00 41.25 40.11 1wvh s ASN 1614CO 0.34 -0.35 -0.19 -0.44 -3.72 0.00 0.00 177.10 172.74 1wvh s SER 1615N -2.32 2.45 -0.07 -4.21 0.01 -1.26 -0.47 113.70 107.83 1wvh s SER 1615Ca 0.09 -0.42 0.03 0.00 1.31 0.00 0.00 55.95 56.95 1wvh s SER 1615Cb -0.01 -0.96 0.01 0.00 0.21 0.00 0.00 66.02 65.27 1wvh s SER 1615CO -0.06 0.13 -0.15 -0.69 0.41 0.00 0.00 173.24 172.88 1wvh s VAL 1616N 0.30 1.35 -0.03 3.43 1.01 0.07 -4.97 120.40 121.57 1wvh s VAL 1616Ca -0.12 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 1wvh s VAL 1616Cb -0.15 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1wvh s VAL 1616CO 0.05 0.40 1.28 -1.61 0.00 0.00 0.00 175.10 175.22 1wvh s GLU 1617N 0.45 4.33 0.00 2.72 0.41 -1.26 -0.75 118.70 124.60 1wvh s GLU 1617Ca -0.13 1.79 0.09 0.00 -0.41 0.00 0.00 54.97 56.32 1wvh s GLU 1617Cb -0.15 -3.55 0.09 0.00 -1.78 0.00 0.00 34.13 28.74 1wvh s GLU 1617CO 0.04 -0.49 0.84 -1.33 -0.49 0.00 0.00 175.26 173.84 1wvh n MET 1618N 5.20 0.57 0.00 1.61 2.81 -0.27 -4.95 117.12 122.09 1wvh n MET 1618Ca 0.12 -1.16 0.00 0.00 -1.81 0.00 0.00 57.70 54.85 1wvh n MET 1618Cb 0.45 -1.19 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 1wvh n MET 1618CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1wvh n GLU 1619N 0.52 0.00 -0.05 0.03 1.02 -1.22 -1.45 120.64 119.48 1wvh n GLU 1619Ca 0.06 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.32 1wvh n GLU 1619Cb 0.25 0.00 0.43 0.00 -0.02 0.00 0.00 31.44 32.11 1wvh n GLU 1619CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1wvh n SER 1620N 4.99 1.62 -4.76 1.62 3.41 -1.25 0.08 113.62 119.34 1wvh n SER 1620Ca 0.00 -1.63 -0.37 0.00 -0.26 0.00 0.00 58.87 56.61 1wvh n SER 1620Cb 0.00 -0.06 0.02 0.00 -0.26 0.00 0.00 64.21 63.91 1wvh n SER 1620CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1wvh s LEU 1621N -1.74 3.82 0.00 1.04 2.96 -0.53 -4.95 118.68 119.28 1wvh s LEU 1621Ca 0.35 2.49 -0.10 0.00 -0.22 0.00 0.00 54.13 56.64 1wvh s LEU 1621Cb 0.19 -4.40 0.04 0.00 0.50 0.00 0.00 46.19 42.52 1wvh s LEU 1621CO 0.29 -1.40 0.68 1.07 -1.32 0.00 0.00 176.35 175.67 1wvh n THR 1622N -1.11 0.00 -4.94 3.68 5.66 -1.26 -4.73 114.28 111.58 1wvh n THR 1622Ca 0.11 -1.28 0.00 0.00 -3.05 0.00 0.00 64.05 59.83 1wvh n THR 1622Cb 0.48 1.03 0.00 0.00 -1.55 0.00 0.00 70.33 70.28 1wvh n THR 1622CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wvh n GLY 1623N -0.55 0.87 0.34 1.09 0.00 -1.26 -2.05 105.19 103.63 1wvh n GLY 1623Ca -0.05 -0.75 0.07 0.00 0.00 0.00 0.00 46.02 45.29 1wvh n GLY 1623CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wvh h PRO 1624N 0.00 0.58 -0.80 1.61 0.11 -1.99 -1.46 132.00 130.06 1wvh h PRO 1624Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1wvh h PRO 1624Cb 0.00 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 30.94 1wvh h PRO 1624CO 0.00 0.38 0.51 0.37 -0.21 0.00 0.00 178.00 179.05 1wvh h GLN 1625N 0.60 1.06 -0.22 1.05 4.15 -1.99 -0.07 115.11 119.69 1wvh h GLN 1625Ca 0.26 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.57 1wvh h GLN 1625Cb 0.26 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1wvh h GLN 1625CO -0.08 0.72 -0.00 0.00 -1.93 0.00 0.00 178.83 177.54 1wvh h ALA 1626N 1.28 0.30 -0.13 3.38 0.00 -0.69 -0.75 119.26 122.65 1wvh h ALA 1626Ca 0.29 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wvh h ALA 1626Cb -0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1wvh h ALA 1626CO -0.06 0.03 0.06 0.82 0.00 0.00 0.00 179.25 180.10 1wvh h ILE 1627N 0.16 1.00 -0.48 0.00 1.08 -1.16 0.02 117.51 118.13 1wvh h ILE 1627Ca 0.06 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1wvh h ILE 1627Cb 0.41 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 1wvh h ILE 1627CO 0.01 0.03 0.27 -1.28 -0.69 0.00 0.00 178.15 176.49 1wvh h SER 1628N 0.14 0.59 -0.70 1.72 0.87 -0.99 -1.64 113.55 113.54 1wvh h SER 1628Ca 0.05 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.49 1wvh h SER 1628Cb 0.01 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 1wvh h SER 1628CO -0.03 0.50 0.27 0.50 -0.53 0.00 0.00 176.83 177.54 1wvh h LYS 1629N 0.64 1.06 -0.61 2.24 1.63 -0.91 -1.51 116.57 119.10 1wvh h LYS 1629Ca 0.17 -0.20 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 1wvh h LYS 1629Cb 0.03 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.46 1wvh h LYS 1629CO -0.03 0.88 0.24 0.00 -3.45 0.00 0.00 179.45 177.09 1wvh h ALA 1630N 1.13 1.27 -0.26 5.00 0.00 -0.70 -1.17 119.26 124.53 1wvh h ALA 1630Ca 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1wvh h ALA 1630Cb 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1wvh h ALA 1630CO -0.02 0.54 0.05 0.28 0.00 0.00 0.00 179.25 180.10 1wvh h VAL 1631N 0.88 1.22 -0.19 0.00 2.07 -0.78 -1.16 116.25 118.29 1wvh h VAL 1631Ca 0.21 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 67.02 1wvh h VAL 1631Cb 0.18 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1wvh h VAL 1631CO -0.02 0.24 0.01 0.00 0.02 0.00 0.00 177.57 177.82 1wvh h ALA 1632N 0.87 0.17 -0.48 1.67 0.00 -0.85 -0.87 119.26 119.78 1wvh h ALA 1632Ca 0.08 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1wvh h ALA 1632Cb 0.31 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1wvh h ALA 1632CO 0.00 -0.42 0.14 0.93 0.00 0.00 0.00 179.25 179.90 1wvh h GLU 1633N 0.07 0.70 -0.47 0.00 5.08 -1.11 -2.71 114.58 116.15 1wvh h GLU 1633Ca 0.09 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1wvh h GLU 1633Cb 0.10 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1wvh h GLU 1633CO -0.14 0.62 -0.23 1.15 -1.00 0.00 0.00 179.01 179.40 1wvh h THR 1634N 0.69 1.27 0.00 1.13 2.02 -0.67 -2.14 112.91 115.21 1wvh h THR 1634Ca 0.16 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.94 1wvh h THR 1634Cb 0.22 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1wvh h THR 1634CO -0.01 0.48 0.00 0.18 0.37 0.00 0.00 175.52 176.54 1wvh n LEU 1635N -4.10 0.41 -0.23 2.58 4.77 -0.38 -2.57 117.00 117.47 1wvh n LEU 1635Ca -0.00 0.59 0.02 0.00 -0.03 0.00 0.00 56.01 56.59 1wvh n LEU 1635Cb 0.47 -0.52 0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1wvh n LEU 1635CO 0.47 -0.37 0.46 1.33 -1.33 0.00 0.00 177.39 177.95 1wvh n VAL 1636N -1.93 0.58 -1.82 4.08 0.24 -1.15 -5.04 118.33 113.29 1wvh n VAL 1636Ca 0.03 -0.79 -0.40 0.00 -2.04 0.00 0.00 64.34 61.14 1wvh n VAL 1636Cb 0.24 0.75 0.01 0.00 -1.47 0.00 0.00 33.84 33.37 1wvh n VAL 1636CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wvh s ALA 1637N -0.74 3.40 -0.12 2.33 0.00 -0.82 -5.02 121.76 120.79 1wvh s ALA 1637Ca 0.08 1.50 -0.01 0.00 0.00 0.00 0.00 51.96 53.53 1wvh s ALA 1637Cb 0.05 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.61 1wvh s ALA 1637CO 0.06 -1.10 -0.04 0.34 0.00 0.00 0.00 175.76 175.02 1wvh s ASP 1638N -0.36 2.18 0.85 0.00 2.15 -1.26 -3.20 116.67 117.03 1wvh s ASP 1638Ca 0.57 -0.34 -0.11 0.00 0.43 0.00 0.00 52.55 53.09 1wvh s ASP 1638Cb -0.45 -0.71 0.10 0.00 -0.30 0.00 0.00 42.92 41.56 1wvh s ASP 1638CO 0.59 -0.17 1.09 -2.16 -0.17 0.00 0.00 175.17 174.35 1wvh s PRO 1639N 1.79 1.63 0.26 4.34 0.04 -1.26 -5.08 135.00 136.72 1wvh s PRO 1639Ca 0.04 0.82 -0.31 0.00 0.04 0.00 0.00 61.00 61.59 1wvh s PRO 1639Cb -0.13 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.43 1wvh s PRO 1639CO -0.07 -1.98 1.56 2.41 0.04 0.00 0.00 177.00 178.96 1wvh n THR 1640N -3.70 0.80 -1.52 1.26 -1.04 -1.20 -4.91 114.28 103.97 1wvh n THR 1640Ca 0.07 -0.20 -0.35 0.00 -2.04 0.00 0.00 64.05 61.53 1wvh n THR 1640Cb 0.55 -1.81 0.09 0.00 -1.82 0.00 0.00 70.33 67.34 1wvh n THR 1640CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1wvh s PRO 1641N -0.16 2.23 -0.29 -2.82 0.02 -1.26 -4.96 135.00 127.76 1wvh s PRO 1641Ca 0.68 1.91 -0.11 0.00 0.02 0.00 0.00 61.00 63.50 1wvh s PRO 1641Cb -0.55 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.11 1wvh s PRO 1641CO 0.46 -1.80 0.18 0.95 -0.33 0.00 0.00 177.00 176.45 1wvh s THR 1642N -1.72 5.10 0.67 0.99 -4.23 -1.26 -4.92 115.64 110.26 1wvh s THR 1642Ca 0.78 0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 61.16 1wvh s THR 1642Cb -0.33 -3.47 0.01 0.00 1.34 0.00 0.00 72.50 70.05 1wvh s THR 1642CO 0.43 0.21 1.11 0.00 -0.54 0.00 0.00 174.62 175.83 1wvh s ALA 1643N 1.72 2.45 -0.02 3.99 0.00 -1.26 -4.89 121.76 123.75 1wvh s ALA 1643Ca 0.07 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.55 1wvh s ALA 1643Cb -0.16 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.66 1wvh s ALA 1643CO 0.09 -1.32 -0.02 0.99 0.00 0.00 0.00 175.76 175.50 1wvh s THR 1644N -2.40 0.26 -0.03 0.00 2.01 -0.66 -4.96 115.64 109.86 1wvh s THR 1644Ca 0.66 -0.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.32 1wvh s THR 1644Cb -0.20 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1wvh s THR 1644CO 0.43 0.12 1.18 -0.63 -0.69 0.00 0.00 174.62 175.03 1wvh s ILE 1645N 0.49 4.28 0.14 1.82 1.01 -1.26 -0.20 121.20 127.48 1wvh s ILE 1645Ca -0.05 1.61 0.05 0.00 0.00 0.00 0.00 60.65 62.26 1wvh s ILE 1645Cb -0.08 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1wvh s ILE 1645CO -0.01 0.03 -0.11 0.68 0.00 0.00 0.00 174.94 175.54 1wvh s VAL 1646N 1.93 1.17 -0.27 2.92 -7.23 0.06 -1.74 120.40 117.25 1wvh s VAL 1646Ca 0.56 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.54 1wvh s VAL 1646Cb -0.25 -1.78 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 1wvh s VAL 1646CO 0.23 -0.70 0.58 -2.28 -0.31 0.00 0.00 175.10 172.63 1wvh s HIS 1647N -3.13 3.26 -0.44 2.82 2.46 0.94 -2.22 115.29 118.98 1wvh s HIS 1647Ca 0.15 0.70 -0.09 0.00 0.47 0.00 0.00 55.06 56.29 1wvh s HIS 1647Cb 0.01 -2.82 0.10 0.00 -0.13 0.00 0.00 32.58 29.74 1wvh s HIS 1647CO 0.01 -0.34 0.30 0.12 -2.47 0.00 0.00 174.74 172.36 1wvh s PHE 1648N 2.45 3.39 -0.20 3.88 5.36 0.62 -1.60 117.98 131.87 1wvh s PHE 1648Ca 0.24 -1.71 -0.07 0.00 -0.96 0.00 0.00 56.93 54.43 1wvh s PHE 1648Cb -0.15 -3.23 -0.04 0.00 -0.34 0.00 0.00 43.02 39.26 1wvh s PHE 1648CO 0.09 -0.92 0.06 0.21 -1.46 0.00 0.00 175.22 173.20 1wvh s LYS 1649N 1.39 3.84 -0.21 10.12 2.20 -0.25 -0.25 119.74 136.58 1wvh s LYS 1649Ca 0.04 -0.41 -0.06 0.00 -0.36 0.00 0.00 55.97 55.19 1wvh s LYS 1649Cb -0.25 -3.23 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 1wvh s LYS 1649CO 0.01 0.11 0.04 0.08 -0.36 0.00 0.00 175.35 175.23 1wvh s VAL 1650N 0.80 4.30 0.35 4.02 1.01 0.60 -1.06 120.40 130.42 1wvh s VAL 1650Ca 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1wvh s VAL 1650Cb -0.14 -2.96 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 1wvh s VAL 1650CO 0.02 0.41 0.43 -0.94 0.00 0.00 0.00 175.10 175.02 1wvh s SER 1651N 0.98 1.26 0.49 3.32 1.04 -0.45 -1.51 113.70 118.84 1wvh s SER 1651Ca 0.03 -1.61 0.33 0.00 0.48 0.00 0.00 55.95 55.18 1wvh s SER 1651Cb -0.14 0.65 1.61 0.00 0.10 0.00 0.00 66.02 68.24 1wvh s SER 1651CO 0.02 -1.26 2.00 0.00 0.98 0.00 0.00 173.24 174.99 1wvh h ALA 1652N 2.08 1.00 0.00 5.32 0.00 -1.98 -1.68 119.26 124.01 1wvh h ALA 1652Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1wvh h ALA 1652Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1wvh h ALA 1652CO 0.37 0.00 -0.55 1.04 0.00 0.00 0.00 179.25 180.12 1wvh n GLN 1653N -2.78 0.29 0.00 0.00 3.00 -1.26 -4.75 117.38 111.88 1wvh n GLN 1653Ca -0.01 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1wvh n GLN 1653Cb 0.17 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 28.71 1wvh n GLN 1653CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wvh n GLY 1654N 1.33 0.32 3.30 1.08 0.00 -0.63 -0.79 105.19 109.80 1wvh n GLY 1654Ca 0.04 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 1wvh n GLY 1654CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wvh s ILE 1655N -1.83 2.97 -0.13 -0.61 -1.09 -0.47 -1.34 121.20 118.69 1wvh s ILE 1655Ca 0.00 -0.66 0.02 0.00 -2.23 0.00 0.00 60.65 57.78 1wvh s ILE 1655Cb 0.00 -2.28 0.01 0.00 -1.58 0.00 0.00 42.46 38.60 1wvh s ILE 1655CO 0.00 0.49 -0.21 -0.89 -1.23 0.00 0.00 174.94 173.10 1wvh s THR 1656N 0.89 2.17 -0.16 2.92 2.01 -0.23 -0.30 115.64 122.95 1wvh s THR 1656Ca -0.03 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 60.98 1wvh s THR 1656Cb -0.15 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 1wvh s THR 1656CO -0.00 0.55 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.68 1wvh s LEU 1657N 0.69 3.27 0.09 4.42 1.43 0.56 -1.09 118.68 128.05 1wvh s LEU 1657Ca -0.10 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 1wvh s LEU 1657Cb -0.16 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1wvh s LEU 1657CO 0.01 0.17 -0.10 0.42 0.23 0.00 0.00 176.35 177.07 1wvh s THR 1658N 0.38 0.91 0.31 5.49 -4.23 -0.63 -1.64 115.64 116.23 1wvh s THR 1658Ca -0.04 -1.52 -0.29 0.00 -1.18 0.00 0.00 61.69 58.67 1wvh s THR 1658Cb -0.14 -1.22 -0.10 0.00 1.34 0.00 0.00 72.50 72.38 1wvh s THR 1658CO 0.03 -0.49 1.36 -0.62 -0.54 0.00 0.00 174.62 174.36 1wvh s ASP 1659N -2.23 6.71 -0.04 3.99 2.15 -1.14 -0.04 116.67 126.07 1wvh s ASP 1659Ca 0.02 2.70 0.22 0.00 0.43 0.00 0.00 52.55 55.92 1wvh s ASP 1659Cb -0.05 -2.64 0.38 0.00 -0.30 0.00 0.00 42.92 40.31 1wvh s ASP 1659CO 0.00 -0.61 1.15 0.59 -0.17 0.00 0.00 175.17 176.14 1wvh n ASN 1660N 1.23 0.75 0.00 -0.34 3.02 -0.71 -4.70 115.26 114.51 1wvh n ASN 1660Ca 0.02 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 1wvh n ASN 1660Cb 0.41 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 1wvh n ASN 1660CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1wvh n GLN 1661N 0.24 0.00 -3.67 3.52 -0.06 -1.18 -4.75 117.38 111.47 1wvh n GLN 1661Ca 0.01 0.00 -0.16 0.00 -2.00 0.00 0.00 57.00 54.85 1wvh n GLN 1661Cb 1.04 0.00 -0.15 0.00 -4.06 0.00 0.00 30.24 27.07 1wvh n GLN 1661CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1wvh s ARG 1662N 1.55 0.06 -0.90 3.69 0.52 -1.26 -5.07 118.95 117.53 1wvh s ARG 1662Ca 0.00 0.58 -0.18 0.00 -0.52 0.00 0.00 55.73 55.61 1wvh s ARG 1662Cb 0.00 -0.22 -0.26 0.00 0.52 0.00 0.00 34.95 34.99 1wvh s ARG 1662CO 0.00 -0.29 2.18 1.63 0.02 0.00 0.00 175.30 178.84 1wvh n LYS 1663N 5.22 0.00 -0.00 3.54 4.01 -1.26 -4.77 118.16 124.90 1wvh n LYS 1663Ca -0.07 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.73 1wvh n LYS 1663Cb 0.50 -1.12 -0.00 0.00 -0.51 0.00 0.00 35.03 33.90 1wvh n LYS 1663CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1wvh h LEU 1664N 10.37 0.00 -9.82 -0.35 6.46 -1.98 -3.47 115.31 116.53 1wvh h LEU 1664Ca -0.00 0.00 -0.55 0.00 -0.12 0.00 0.00 57.88 57.20 1wvh h LEU 1664Cb 1.10 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.95 1wvh h LEU 1664CO 1.37 0.01 -0.53 0.72 -0.62 0.00 0.00 178.44 179.39 1wvh s PHE 1665N -1.02 2.65 -0.17 1.25 -0.12 -1.26 -5.08 117.98 114.24 1wvh s PHE 1665Ca -0.00 -0.46 -0.13 0.00 -0.05 0.00 0.00 56.93 56.29 1wvh s PHE 1665Cb 0.00 -1.74 -0.07 0.00 -0.63 0.00 0.00 43.02 40.58 1wvh s PHE 1665CO 0.00 0.29 -0.15 0.34 -0.05 0.00 0.00 175.22 175.65 1wvh n PHE 1666N -1.17 0.74 -3.66 3.49 7.35 -1.26 -4.54 117.46 118.42 1wvh n PHE 1666Ca -0.02 0.32 -0.14 0.00 -0.76 0.00 0.00 57.45 56.85 1wvh n PHE 1666Cb 0.62 -0.79 -0.08 0.00 0.35 0.00 0.00 39.48 39.58 1wvh n PHE 1666CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1wvh s ARG 1667N -2.39 0.74 -0.01 -4.13 3.52 -1.26 -2.87 118.95 112.55 1wvh s ARG 1667Ca -0.21 0.55 0.02 0.00 -0.13 0.00 0.00 55.73 55.96 1wvh s ARG 1667Cb 0.04 0.35 -0.00 0.00 -1.56 0.00 0.00 34.95 33.78 1wvh s ARG 1667CO 0.33 -0.14 -0.05 1.03 -0.81 0.00 0.00 175.30 175.65 1wvh s ARG 1668N -0.21 0.48 -0.04 5.12 0.52 -0.65 -5.00 118.95 119.16 1wvh s ARG 1668Ca -0.04 -0.18 0.03 0.00 -0.52 0.00 0.00 55.73 55.02 1wvh s ARG 1668Cb -0.03 -0.47 0.01 0.00 0.52 0.00 0.00 34.95 34.97 1wvh s ARG 1668CO 0.03 0.09 -0.11 -1.58 0.02 0.00 0.00 175.30 173.75 1wvh s HIS 1669N 0.01 1.25 -0.31 -0.53 2.46 -1.26 -0.32 115.29 116.58 1wvh s HIS 1669Ca 0.00 -0.38 0.01 0.00 0.47 0.00 0.00 55.06 55.16 1wvh s HIS 1669Cb -0.04 -0.90 0.07 0.00 -0.13 0.00 0.00 32.58 31.58 1wvh s HIS 1669CO -0.00 -0.18 0.01 0.71 -2.47 0.00 0.00 174.74 172.80 1wvh s TYR 1670N 0.39 3.41 0.30 3.88 2.02 0.58 -5.00 117.35 122.93 1wvh s TYR 1670Ca -0.08 -2.31 -0.29 0.00 -0.37 0.00 0.00 57.07 54.02 1wvh s TYR 1670Cb -0.12 -2.37 -0.13 0.00 -0.40 0.00 0.00 41.96 38.93 1wvh s TYR 1670CO 0.02 -0.88 1.19 -2.30 -1.57 0.00 0.00 175.55 172.01 1wvh n PRO 1671N 4.49 1.75 -0.33 -1.71 -0.02 -1.26 -1.37 135.00 136.55 1wvh n PRO 1671Ca -0.08 0.61 0.15 0.00 -2.02 0.00 0.00 63.50 62.16 1wvh n PRO 1671Cb 0.42 -2.12 0.34 0.00 -0.02 0.00 0.00 33.50 32.13 1wvh n PRO 1671CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1wvh h LEU 1672N 2.61 0.54 -0.38 2.45 6.46 -1.26 -0.39 115.31 125.35 1wvh h LEU 1672Ca -0.43 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 1wvh h LEU 1672Cb 1.31 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.30 1wvh h LEU 1672CO 0.64 0.08 0.00 -0.46 -0.62 0.00 0.00 178.44 178.08 1wvh n ASN 1673N -4.94 0.29 0.02 1.25 6.94 -1.26 -2.48 115.26 115.08 1wvh n ASN 1673Ca 0.24 0.58 0.11 0.00 -0.02 0.00 0.00 54.58 55.50 1wvh n ASN 1673Cb 0.68 -0.64 0.05 0.00 -2.36 0.00 0.00 39.78 37.51 1wvh n ASN 1673CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1wvh n THR 1674N -1.83 0.14 -2.88 5.53 -2.24 -0.16 -4.83 114.28 108.02 1wvh n THR 1674Ca 0.02 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 1wvh n THR 1674Cb 0.16 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 1wvh n THR 1674CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1wvh s VAL 1675N -3.15 4.68 -0.42 2.28 1.01 -1.03 -0.58 120.40 123.18 1wvh s VAL 1675Ca 0.05 1.14 0.13 0.00 0.00 0.00 0.00 61.98 63.30 1wvh s VAL 1675Cb 0.15 -4.25 -0.16 0.00 0.00 0.00 0.00 36.38 32.11 1wvh s VAL 1675CO 0.79 -0.42 0.47 0.35 0.00 0.00 0.00 175.10 176.29 1wvh n THR 1676N 5.79 0.00 -3.52 3.92 -2.24 -0.16 -4.88 114.28 113.20 1wvh n THR 1676Ca 0.05 -0.23 -0.15 0.00 -2.27 0.00 0.00 64.05 61.45 1wvh n THR 1676Cb 0.48 0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 69.40 1wvh n THR 1676CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1wvh s PHE 1677N -2.46 -0.57 -0.22 4.78 5.36 -1.22 -4.93 117.98 118.72 1wvh s PHE 1677Ca 0.02 0.88 -0.12 0.00 -0.96 0.00 0.00 56.93 56.75 1wvh s PHE 1677Cb 0.09 0.44 0.07 0.00 -0.34 0.00 0.00 43.02 43.29 1wvh s PHE 1677CO 0.54 -0.59 0.54 0.00 -1.46 0.00 0.00 175.22 174.25 1wvh s ASP 1679N 1.68 -0.12 0.79 0.00 -1.08 -0.81 -4.90 116.67 112.23 1wvh s ASP 1679Ca -0.09 -0.38 -0.11 0.00 -0.52 0.00 0.00 52.55 51.45 1wvh s ASP 1679Cb -0.08 0.41 0.06 0.00 -1.46 0.00 0.00 42.92 41.86 1wvh s ASP 1679CO -0.16 -0.77 1.09 -0.76 0.52 0.00 0.00 175.17 175.09 1wvh s LEU 1680N -3.03 2.65 0.04 -1.34 1.43 -1.26 -1.63 118.68 115.53 1wvh s LEU 1680Ca 0.14 1.31 -0.30 0.00 -1.03 0.00 0.00 54.13 54.25 1wvh s LEU 1680Cb -0.00 -3.95 -0.08 0.00 0.03 0.00 0.00 46.19 42.19 1wvh s LEU 1680CO 0.01 -1.90 1.72 -0.62 0.23 0.00 0.00 176.35 175.80 1wvh s ASP 1681N -3.93 6.58 0.51 2.29 2.15 -0.96 -4.86 116.67 118.45 1wvh s ASP 1681Ca 0.60 2.48 0.21 0.00 0.43 0.00 0.00 52.55 56.27 1wvh s ASP 1681Cb -0.14 -2.55 1.29 0.00 -0.30 0.00 0.00 42.92 41.22 1wvh s ASP 1681CO 0.54 -0.93 2.03 -0.65 -0.17 0.00 0.00 175.17 175.98 1wvh h PRO 1682N 9.02 0.08 -0.53 4.34 0.11 -1.92 -1.20 132.00 141.90 1wvh h PRO 1682Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1wvh h PRO 1682Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1wvh h PRO 1682CO 0.94 0.05 0.00 1.04 -0.21 0.00 0.00 178.00 179.82 1wvh n GLN 1683N -4.43 2.25 -4.11 1.05 6.02 -1.26 -4.96 117.38 111.93 1wvh n GLN 1683Ca 0.07 -1.95 -0.34 0.00 -0.01 0.00 0.00 57.00 54.77 1wvh n GLN 1683Cb 0.44 -1.42 -0.01 0.00 1.02 0.00 0.00 30.24 30.27 1wvh n GLN 1683CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1wvh n GLU 1684N 1.09 -3.98 -2.81 -1.09 1.02 -0.45 -4.96 120.64 109.45 1wvh n GLU 1684Ca 0.18 0.45 -0.31 0.00 -0.02 0.00 0.00 57.16 57.46 1wvh n GLU 1684Cb 0.46 -5.22 -0.04 0.00 -0.02 0.00 0.00 31.44 26.62 1wvh n GLU 1684CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1wvh s ARG 1685N -6.81 3.84 0.28 3.49 0.52 -1.26 -5.02 118.95 113.98 1wvh s ARG 1685Ca 0.69 0.58 0.10 0.00 -0.52 0.00 0.00 55.73 56.59 1wvh s ARG 1685Cb -0.37 -2.35 -0.05 0.00 0.52 0.00 0.00 34.95 32.71 1wvh s ARG 1685CO 0.89 -0.05 -0.08 0.15 0.02 0.00 0.00 175.30 176.23 1wvh s LYS 1686N -3.77 2.02 -0.23 3.54 1.02 -1.26 -3.87 119.74 117.19 1wvh s LYS 1686Ca 0.53 -1.59 -0.11 0.00 0.02 0.00 0.00 55.97 54.81 1wvh s LYS 1686Cb -0.10 -1.98 -0.05 0.00 -0.52 0.00 0.00 37.83 35.18 1wvh s LYS 1686CO 0.29 0.33 0.20 -0.46 -0.92 0.00 0.00 175.35 174.80 1wvh s TRP 1687N -2.42 3.32 -0.52 3.18 -0.11 -0.35 -4.88 118.94 117.17 1wvh s TRP 1687Ca 0.31 0.29 -0.16 0.00 1.22 0.00 0.00 56.10 57.76 1wvh s TRP 1687Cb -0.05 -2.32 0.11 0.00 -1.50 0.00 0.00 33.47 29.71 1wvh s TRP 1687CO 0.18 0.05 0.47 0.95 -4.62 0.00 0.00 176.95 173.98 1wvh s THR 1688N 1.12 5.19 0.30 5.86 -4.23 -1.26 -1.16 115.64 121.47 1wvh s THR 1688Ca 0.09 -1.30 -0.29 0.00 -1.18 0.00 0.00 61.69 59.01 1wvh s THR 1688Cb -0.14 -4.27 -0.13 0.00 1.34 0.00 0.00 72.50 69.31 1wvh s THR 1688CO 0.05 -0.78 1.35 0.29 -0.54 0.00 0.00 174.62 174.99 1wvh n LYS 1689N 5.30 2.12 -1.72 3.99 4.01 -1.26 -4.72 118.16 125.88 1wvh n LYS 1689Ca -0.13 0.75 -0.18 0.00 -0.51 0.00 0.00 58.31 58.24 1wvh n LYS 1689Cb 0.42 -2.37 -0.08 0.00 -0.51 0.00 0.00 35.03 32.49 1wvh n LYS 1689CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1wvh s THR 1690N -0.66 3.15 0.00 -0.18 -4.23 -1.26 -3.83 115.64 108.63 1wvh s THR 1690Ca 0.60 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 1wvh s THR 1690Cb -0.59 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 69.55 1wvh s THR 1690CO 0.57 -0.30 0.00 -0.67 -0.54 0.00 0.00 174.62 173.68 1wvh n ASP 1691N 17.78 0.00 0.00 3.99 4.64 -1.26 -5.04 116.55 136.67 1wvh n ASP 1691Ca 0.44 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.85 1wvh n ASP 1691Cb 0.45 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.53 1wvh n ASP 1691CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1wvh n GLY 1692N 0.00 1.45 0.17 0.27 0.00 -1.25 -4.99 105.19 100.84 1wvh n GLY 1692Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1wvh n GLY 1692CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wvh n SER 1693N 0.00 0.00 -0.72 1.61 3.41 -1.26 -4.60 113.62 112.06 1wvh n SER 1693Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 1wvh n SER 1693Cb 0.00 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 1wvh n SER 1693CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wvh n GLY 1694N 0.00 -1.77 3.77 5.00 0.00 -1.26 -4.91 105.19 106.01 1wvh n GLY 1694Ca 0.00 -1.34 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 1wvh n GLY 1694CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1wvh s PRO 1695N -1.88 4.13 -0.01 1.61 0.02 -1.26 -4.39 135.00 133.22 1wvh s PRO 1695Ca 0.00 2.10 0.07 0.00 0.02 0.00 0.00 61.00 63.20 1wvh s PRO 1695Cb 0.00 -2.86 -0.02 0.00 0.02 0.00 0.00 34.50 31.64 1wvh s PRO 1695CO 0.00 -0.34 -0.23 0.00 -0.33 0.00 0.00 177.00 176.10 1wvh s ALA 1696N -1.25 1.92 0.37 -1.55 0.00 -0.31 -4.91 121.76 116.03 1wvh s ALA 1696Ca 0.54 -1.02 -0.27 0.00 0.00 0.00 0.00 51.96 51.21 1wvh s ALA 1696Cb -0.37 -0.47 -0.09 0.00 0.00 0.00 0.00 23.12 22.19 1wvh s ALA 1696CO 0.48 0.47 1.29 0.15 0.00 0.00 0.00 175.76 178.15 1wvh s LYS 1697N -0.66 4.15 -0.04 0.00 1.02 -1.26 -1.21 119.74 121.73 1wvh s LYS 1697Ca 0.09 2.16 -0.03 0.00 0.02 0.00 0.00 55.97 58.20 1wvh s LYS 1697Cb -0.09 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.29 1wvh s LYS 1697CO -0.00 -0.34 0.15 -0.51 -0.92 0.00 0.00 175.35 173.72 1wvh s LEU 1698N -2.15 4.27 0.17 3.17 1.43 -1.25 -1.65 118.68 122.67 1wvh s LEU 1698Ca 0.53 0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 53.84 1wvh s LEU 1698Cb -0.38 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.46 1wvh s LEU 1698CO 0.50 0.31 0.38 0.72 0.23 0.00 0.00 176.35 178.49 1wvh s PHE 1699N -1.21 0.14 0.32 0.29 -0.71 -0.45 -2.26 117.98 114.10 1wvh s PHE 1699Ca 0.23 -0.49 -0.18 0.00 -1.04 0.00 0.00 56.93 55.45 1wvh s PHE 1699Cb -0.12 0.14 0.06 0.00 -1.21 0.00 0.00 43.02 41.89 1wvh s PHE 1699CO 0.13 -0.79 0.86 0.20 -1.34 0.00 0.00 175.22 174.29 1wvh s GLY 1700N -2.91 0.28 0.08 1.99 0.00 -0.65 -0.33 107.32 105.78 1wvh s GLY 1700Ca 0.12 -0.62 0.02 0.00 0.00 0.00 0.00 44.72 44.25 1wvh s GLY 1700CO -0.03 0.46 -0.08 -0.11 0.00 0.00 0.00 173.10 173.35 1wvh s PHE 1701N -2.32 0.87 -0.16 1.90 -0.12 -0.49 -1.92 117.98 115.75 1wvh s PHE 1701Ca 0.17 -0.70 -0.05 0.00 -0.05 0.00 0.00 56.93 56.30 1wvh s PHE 1701Cb -0.04 -0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 41.81 1wvh s PHE 1701CO 0.09 -0.08 -0.01 0.08 -0.05 0.00 0.00 175.22 175.26 1wvh s VAL 1702N -2.54 4.18 -0.03 -2.49 1.01 0.28 -0.78 120.40 120.04 1wvh s VAL 1702Ca 0.03 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.80 1wvh s VAL 1702Cb -0.02 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1wvh s VAL 1702CO -0.02 0.49 -0.15 0.00 0.00 0.00 0.00 175.10 175.42 1wvh s ALA 1703N 0.30 1.29 0.08 5.51 0.00 -0.16 -0.99 121.76 127.79 1wvh s ALA 1703Ca -0.01 -0.61 -0.16 0.00 0.00 0.00 0.00 51.96 51.17 1wvh s ALA 1703Cb -0.13 -0.39 -0.12 0.00 0.00 0.00 0.00 23.12 22.47 1wvh s ALA 1703CO 0.02 0.27 1.35 0.00 0.00 0.00 0.00 175.76 177.40 1wvh h ARG 1704N 6.05 0.63 -6.31 0.00 3.08 -1.08 -0.25 114.38 116.50 1wvh h ARG 1704Ca -0.34 -0.39 -0.59 0.00 0.07 0.00 0.00 59.98 58.73 1wvh h ARG 1704Cb 1.17 0.04 -0.12 0.00 0.08 0.00 0.00 29.97 31.14 1wvh h ARG 1704CO 0.48 1.00 -0.69 0.21 -1.07 0.00 0.00 179.97 179.90 1wvh s LYS 1705N -4.11 2.11 0.00 0.04 2.47 -1.26 -4.51 119.74 114.47 1wvh s LYS 1705Ca -0.12 -1.39 0.00 0.00 -1.56 0.00 0.00 55.97 52.89 1wvh s LYS 1705Cb 0.07 -2.11 0.00 0.00 -1.46 0.00 0.00 37.83 34.33 1wvh s LYS 1705CO 0.83 0.39 0.00 0.41 0.16 0.00 0.00 175.35 177.14 1wvh n GLY 1707N -0.44 0.00 0.32 5.54 0.00 -1.26 -4.76 105.19 104.59 1wvh n GLY 1707Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1wvh n GLY 1707CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wvh n SER 1708N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.06 113.62 112.32 1wvh n SER 1708Ca 0.00 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 1wvh n SER 1708Cb 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1wvh n SER 1708CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wvh n THR 1709N 0.00 0.00 1.22 6.66 -2.24 -1.26 0.10 114.28 118.75 1wvh n THR 1709Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1wvh n THR 1709Cb 0.58 0.00 0.36 0.00 -2.10 0.00 0.00 70.33 69.16 1wvh n THR 1709CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wvh n THR 1710N 0.00 0.23 -3.56 4.28 -2.24 -1.26 -4.91 114.28 106.82 1wvh n THR 1710Ca 0.00 -0.35 -0.35 0.00 -2.27 0.00 0.00 64.05 61.08 1wvh n THR 1710Cb 0.00 0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.51 1wvh n THR 1710CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wvh s ASP 1711N -1.51 6.66 0.15 3.42 1.01 0.11 -3.89 116.67 122.62 1wvh s ASP 1711Ca 0.31 0.82 0.05 0.00 0.71 0.00 0.00 52.55 54.44 1wvh s ASP 1711Cb 0.17 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.87 1wvh s ASP 1711CO 0.25 0.19 -0.12 0.20 0.21 0.00 0.00 175.17 175.91 1wvh s ASN 1712N -1.66 1.93 -0.02 0.27 0.01 0.11 -4.54 114.94 111.04 1wvh s ASN 1712Ca 0.32 -0.96 0.03 0.00 -0.71 0.00 0.00 52.86 51.54 1wvh s ASN 1712Cb -0.14 -0.04 -0.00 0.00 0.41 0.00 0.00 41.25 41.47 1wvh s ASN 1712CO 0.17 -0.27 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.69 1wvh s VAL 1713N -2.99 0.93 -0.18 1.60 1.01 -0.10 -1.12 120.40 119.54 1wvh s VAL 1713Ca 0.15 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 1wvh s VAL 1713Cb 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 1wvh s VAL 1713CO 0.02 0.27 0.01 0.00 0.00 0.00 0.00 175.10 175.40 1wvh s HIS 1715N 0.66 3.11 -0.05 0.00 3.76 0.04 -0.75 115.29 122.06 1wvh s HIS 1715Ca 0.00 -0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 54.57 1wvh s HIS 1715Cb -0.14 -2.21 -0.04 0.00 1.11 0.00 0.00 32.58 31.31 1wvh s HIS 1715CO 0.02 -0.27 0.03 -0.51 -0.85 0.00 0.00 174.74 173.16 1wvh s LEU 1716N 1.40 3.68 0.16 0.89 1.43 0.38 -1.39 118.68 125.22 1wvh s LEU 1716Ca 0.05 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1wvh s LEU 1716Cb -0.15 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1wvh s LEU 1716CO 0.04 0.33 0.05 -0.36 0.23 0.00 0.00 176.35 176.63 1wvh s PHE 1717N -1.01 1.05 -0.02 0.29 0.40 0.55 -0.56 117.98 118.68 1wvh s PHE 1717Ca 0.17 -1.17 0.03 0.00 -0.60 0.00 0.00 56.93 55.36 1wvh s PHE 1717Cb -0.12 -0.59 -0.00 0.00 0.51 0.00 0.00 43.02 42.82 1wvh s PHE 1717CO 0.07 -0.41 -0.11 0.00 0.70 0.00 0.00 175.22 175.47 1wvh s ALA 1718N -3.90 0.95 0.65 5.36 0.00 0.13 -1.34 121.76 123.60 1wvh s ALA 1718Ca 0.26 -0.44 -0.18 0.00 0.00 0.00 0.00 51.96 51.61 1wvh s ALA 1718Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1wvh s ALA 1718CO 0.04 0.20 1.28 -1.83 0.00 0.00 0.00 175.76 175.45 1wvh s GLU 1719N -0.05 2.53 0.00 0.00 -1.05 -0.66 -1.29 118.70 118.18 1wvh s GLU 1719Ca 0.01 2.03 0.00 0.00 -0.15 0.00 0.00 54.97 56.85 1wvh s GLU 1719Cb -0.07 -1.85 0.00 0.00 -0.44 0.00 0.00 34.13 31.78 1wvh s GLU 1719CO 0.00 -1.61 0.00 -0.11 0.95 0.00 0.00 175.26 174.49 1wvh n LEU 1720N -1.97 0.02 -4.50 1.83 7.94 -1.26 -4.70 117.00 114.36 1wvh n LEU 1720Ca 0.16 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.71 1wvh n LEU 1720Cb 0.48 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.32 1wvh n LEU 1720CO 0.47 0.00 -0.31 -0.62 -1.11 0.00 0.00 177.39 175.83 1wvh s ASP 1721N -1.63 5.08 0.60 1.96 -1.08 -1.26 -5.00 116.67 115.34 1wvh s ASP 1721Ca 0.00 -0.12 0.33 0.00 -0.52 0.00 0.00 52.55 52.24 1wvh s ASP 1721Cb 0.00 -1.87 1.92 0.00 -1.46 0.00 0.00 42.92 41.51 1wvh s ASP 1721CO 0.00 0.09 2.26 1.55 0.52 0.00 0.00 175.17 179.59 1wvh h PRO 1722N 7.31 0.00 -0.01 4.34 0.13 -1.97 -0.51 132.00 141.29 1wvh h PRO 1722Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1wvh h PRO 1722Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wvh h PRO 1722CO 0.63 0.02 -0.05 -0.25 -0.23 0.00 0.00 178.00 178.11 1wvh n ASP 1723N -3.63 1.22 -3.17 1.44 8.00 -1.26 -4.14 116.55 115.02 1wvh n ASP 1723Ca -0.03 -1.29 -0.23 0.00 0.71 0.00 0.00 54.79 53.96 1wvh n ASP 1723Cb 0.10 0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 1wvh n ASP 1723CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wvh n GLN 1724N -0.14 1.55 -1.43 -1.24 6.02 -0.20 -5.11 117.38 116.83 1wvh n GLN 1724Ca 0.18 -3.80 -0.33 0.00 -0.01 0.00 0.00 57.00 53.04 1wvh n GLN 1724Cb 0.33 -1.75 0.09 0.00 1.02 0.00 0.00 30.24 29.93 1wvh n GLN 1724CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1wvh s PRO 1725N -2.29 2.19 0.23 -1.09 0.04 -1.23 -4.52 135.00 128.33 1wvh s PRO 1725Ca 0.40 1.62 -0.06 0.00 0.04 0.00 0.00 61.00 63.00 1wvh s PRO 1725Cb 0.26 -1.85 0.39 0.00 0.04 0.00 0.00 34.50 33.33 1wvh s PRO 1725CO -0.09 -1.76 1.73 0.00 0.04 0.00 0.00 177.00 176.91 1wvh h ALA 1726N -0.42 0.93 -0.56 8.56 0.00 -1.91 -1.44 119.26 124.42 1wvh h ALA 1726Ca -0.47 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1wvh h ALA 1726Cb 1.28 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1wvh h ALA 1726CO 0.50 -0.23 0.37 0.00 0.00 0.00 0.00 179.25 179.89 1wvh h ALA 1727N 1.51 1.61 -0.26 0.00 0.00 -1.98 -0.14 119.26 120.00 1wvh h ALA 1727Ca 0.37 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 55.05 1wvh h ALA 1727Cb 0.55 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wvh h ALA 1727CO -0.39 0.36 -0.59 0.00 0.00 0.00 0.00 179.25 178.63 1wvh h ALA 1728N 1.65 0.44 -0.42 0.00 0.00 -1.64 -1.04 119.26 118.25 1wvh h ALA 1728Ca 0.21 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1wvh h ALA 1728Cb -0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1wvh h ALA 1728CO -0.05 0.68 0.08 0.82 0.00 0.00 0.00 179.25 180.78 1wvh h ILE 1729N 0.65 1.24 -0.67 0.00 5.03 -0.80 -1.15 117.51 121.81 1wvh h ILE 1729Ca 0.00 -0.86 -0.01 0.00 -0.12 0.00 0.00 64.86 63.87 1wvh h ILE 1729Cb 1.20 0.99 -0.03 0.00 -3.03 0.00 0.00 36.82 35.95 1wvh h ILE 1729CO 0.13 0.30 0.36 0.58 -0.68 0.00 0.00 178.15 178.84 1wvh h VAL 1730N 0.55 1.21 -0.67 1.67 2.07 -0.98 -1.40 116.25 118.70 1wvh h VAL 1730Ca 0.13 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 1wvh h VAL 1730Cb 0.36 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1wvh h VAL 1730CO 0.01 0.23 0.17 -1.13 0.02 0.00 0.00 177.57 176.87 1wvh h ASN 1731N 0.92 1.00 -0.12 0.57 -0.73 -0.93 -0.62 115.58 115.66 1wvh h ASN 1731Ca 0.23 -0.20 -0.02 0.00 1.87 0.00 0.00 56.30 58.18 1wvh h ASN 1731Cb 0.05 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 38.37 1wvh h ASN 1731CO -0.04 0.95 -0.02 0.15 -0.37 0.00 0.00 177.43 178.11 1wvh h PHE 1732N 1.01 0.25 -0.86 0.67 3.57 -0.90 -1.32 116.94 119.36 1wvh h PHE 1732Ca 0.21 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.69 1wvh h PHE 1732Cb 0.34 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 1wvh h PHE 1732CO 0.03 0.50 0.56 0.28 -2.23 0.00 0.00 178.31 177.44 1wvh h VAL 1733N -0.07 1.16 -0.44 1.41 2.07 -1.15 -1.78 116.25 117.45 1wvh h VAL 1733Ca 0.03 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1wvh h VAL 1733Cb 0.41 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1wvh h VAL 1733CO 0.01 0.20 0.20 0.28 0.02 0.00 0.00 177.57 178.28 1wvh h SER 1734N 1.10 0.58 -0.14 0.57 0.02 -0.92 0.14 113.55 114.90 1wvh h SER 1734Ca 0.34 -0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 61.05 1wvh h SER 1734Cb -0.02 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1wvh h SER 1734CO -0.11 0.56 -0.23 0.03 -1.14 0.00 0.00 176.83 175.94 1wvh h ARG 1735N 0.57 0.58 0.11 3.45 2.47 -0.94 -1.80 114.38 118.81 1wvh h ARG 1735Ca 0.15 -0.22 -0.32 0.00 -1.26 0.00 0.00 59.98 58.33 1wvh h ARG 1735Cb 0.14 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1wvh h ARG 1735CO -0.02 0.77 -1.70 0.28 0.56 0.00 0.00 179.97 179.87 1wvh h VAL 1736N 0.52 0.95 0.00 2.04 2.07 -1.21 -3.42 116.25 117.19 1wvh h VAL 1736Ca 0.08 -2.64 0.00 0.00 0.82 0.00 0.00 66.70 64.96 1wvh h VAL 1736Cb 0.68 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1wvh h VAL 1736CO 0.05 0.79 -0.68 0.23 0.02 0.00 0.00 177.57 177.98 1wvh n MET 1737N -3.41 3.01 0.00 1.57 2.81 0.48 -5.05 117.12 116.53 1wvh n MET 1737Ca -0.21 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.66 1wvh n MET 1737Cb 1.05 -0.90 0.00 0.00 -0.71 0.00 0.00 33.22 32.65 1wvh n MET 1737CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76