#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lql s PHE 1597N 0.00 0.92 0.24 2.98 0.08 -1.26 -5.12 117.98 115.83 1lql s PHE 1597Ca 0.00 -1.22 -0.25 0.00 0.12 0.00 0.00 56.93 55.58 1lql s PHE 1597Cb 0.00 -1.24 -0.09 0.00 -0.57 0.00 0.00 43.02 41.12 1lql s PHE 1597CO 0.00 -0.83 0.85 -1.14 -0.10 0.00 0.00 175.22 174.00 1lql s GLN 1598N 1.89 4.56 1.16 0.44 0.74 -1.26 -5.04 119.66 122.16 1lql s GLN 1598Ca 0.09 1.21 -0.13 0.00 0.05 0.00 0.00 55.36 56.58 1lql s GLN 1598Cb -0.17 -3.03 0.28 0.00 1.10 0.00 0.00 33.01 31.19 1lql s GLN 1598CO -0.30 0.43 1.03 0.20 -0.55 0.00 0.00 175.29 176.10 1lql s GLY 1599N -1.41 1.54 0.31 2.59 0.00 -1.26 -5.00 107.32 104.08 1lql s GLY 1599Ca 0.43 -0.22 -0.05 0.00 0.00 0.00 0.00 44.72 44.88 1lql s GLY 1599CO 0.25 0.51 0.58 -1.58 0.00 0.00 0.00 173.10 172.86 1lql s HIS 1600N -2.53 3.48 -1.13 1.90 2.46 -1.26 -5.02 115.29 113.19 1lql s HIS 1600Ca 0.68 0.64 -0.07 0.00 0.47 0.00 0.00 55.06 56.78 1lql s HIS 1600Cb -0.24 -2.11 0.27 0.00 -0.13 0.00 0.00 32.58 30.37 1lql s HIS 1600CO 0.64 0.13 1.37 -1.33 -2.47 0.00 0.00 174.74 173.08 1lql n MET 1601N -1.09 3.92 0.00 2.88 2.81 -1.26 -4.91 117.12 119.47 1lql n MET 1601Ca -0.02 -4.35 0.00 0.00 -1.81 0.00 0.00 57.70 51.52 1lql n MET 1601Cb 0.54 -2.62 0.00 0.00 -0.71 0.00 0.00 33.22 30.43 1lql n MET 1601CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1lql n ASP 1602N 2.52 0.00 -4.68 7.83 8.00 -1.26 -4.75 116.55 124.20 1lql n ASP 1602Ca 0.28 0.83 -0.42 0.00 0.71 0.00 0.00 54.79 56.19 1lql n ASP 1602Cb 0.37 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1lql n ASP 1602CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1lql s LYS 1603N -2.34 4.16 0.10 -1.24 -0.14 -1.26 -5.01 119.74 114.01 1lql s LYS 1603Ca 0.00 2.48 0.09 0.00 -1.36 0.00 0.00 55.97 57.18 1lql s LYS 1603Cb 0.00 -3.70 -0.04 0.00 -1.68 0.00 0.00 37.83 32.41 1lql s LYS 1603CO 0.00 -0.82 -0.22 0.15 -0.76 0.00 0.00 175.35 173.70 1lql s LYS 1604N 3.03 1.72 0.01 1.68 -0.14 -1.26 -5.14 119.74 119.64 1lql s LYS 1604Ca 0.79 -1.18 0.04 0.00 -1.36 0.00 0.00 55.97 54.26 1lql s LYS 1604Cb -0.43 -2.05 -0.01 0.00 -1.68 0.00 0.00 37.83 33.67 1lql s LYS 1604CO 0.35 0.49 -0.14 0.71 -0.76 0.00 0.00 175.35 176.00 1lql s TYR 1605N -1.03 1.22 -0.13 3.18 2.02 -1.26 -5.13 117.35 116.21 1lql s TYR 1605Ca 0.15 -0.27 -0.04 0.00 -0.37 0.00 0.00 57.07 56.55 1lql s TYR 1605Cb -0.10 -0.76 0.06 0.00 -0.40 0.00 0.00 41.96 40.75 1lql s TYR 1605CO 0.07 -0.00 0.11 0.34 -1.57 0.00 0.00 175.55 174.50 1lql s ASP 1606N -0.57 1.63 0.11 2.29 -1.08 -1.26 -5.14 116.67 112.65 1lql s ASP 1606Ca 0.04 -0.23 0.04 0.00 -0.52 0.00 0.00 52.55 51.89 1lql s ASP 1606Cb -0.06 -0.03 -0.04 0.00 -1.46 0.00 0.00 42.92 41.33 1lql s ASP 1606CO 0.00 -0.30 -0.11 -0.63 0.52 0.00 0.00 175.17 174.65 1lql s ILE 1607N 2.20 1.06 -0.01 4.11 1.09 -1.26 -4.61 121.20 123.78 1lql s ILE 1607Ca 0.04 -1.73 0.00 0.00 -1.10 0.00 0.00 60.65 57.86 1lql s ILE 1607Cb -0.14 -1.48 0.01 0.00 -1.06 0.00 0.00 42.46 39.79 1lql s ILE 1607CO -0.07 -0.56 -0.00 0.42 -0.10 0.00 0.00 174.94 174.62 1lql s THR 1608N -2.54 0.10 -0.16 2.92 -4.23 -1.15 -5.00 115.64 105.58 1lql s THR 1608Ca 0.08 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1lql s THR 1608Cb -0.02 -0.15 -0.00 0.00 1.34 0.00 0.00 72.50 73.67 1lql s THR 1608CO 0.01 0.07 -0.15 0.00 -0.54 0.00 0.00 174.62 174.01 1lql s ALA 1609N 0.45 2.50 -0.17 3.99 0.00 -1.26 -1.00 121.76 126.26 1lql s ALA 1609Ca -0.04 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 1lql s ALA 1609Cb -0.06 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 1lql s ALA 1609CO -0.01 -0.08 -0.05 0.08 0.00 0.00 0.00 175.76 175.70 1lql s VAL 1610N 0.89 3.65 -0.47 0.00 1.01 0.17 -4.95 120.40 120.71 1lql s VAL 1610Ca -0.04 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.28 1lql s VAL 1610Cb -0.15 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.65 1lql s VAL 1610CO -0.01 0.47 0.81 -0.22 0.00 0.00 0.00 175.10 176.15 1lql s LEU 1611N 0.68 4.26 0.79 3.92 2.96 -1.26 -0.48 118.68 129.54 1lql s LEU 1611Ca -0.03 -0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 53.62 1lql s LEU 1611Cb -0.15 -2.92 0.13 0.00 0.50 0.00 0.00 46.19 43.75 1lql s LEU 1611CO 0.02 -0.98 1.10 0.20 -1.32 0.00 0.00 176.35 175.38 1lql s ASN 1612N 2.29 4.10 0.51 3.68 0.01 0.42 -5.01 114.94 120.95 1lql s ASN 1612Ca 0.29 0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.51 1lql s ASN 1612Cb -0.12 -0.42 0.00 0.00 0.41 0.00 0.00 41.25 41.12 1lql s ASN 1612CO 0.22 -2.05 0.00 -0.62 -1.51 0.00 0.00 177.10 173.13 1lql n GLU 1613N -3.14 -0.32 -1.40 -0.60 1.02 -1.26 -3.11 120.64 111.82 1lql n GLU 1613Ca 0.13 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.22 1lql n GLU 1613Cb 0.60 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.00 1lql n GLU 1613CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1lql n ASP 1614N -1.54 -1.43 0.00 1.62 5.68 -1.26 -2.58 116.55 117.04 1lql n ASP 1614Ca 0.00 0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 1lql n ASP 1614Cb 0.00 -1.58 0.00 0.00 -1.14 0.00 0.00 41.12 38.40 1lql n ASP 1614CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1lql n SER 1615N 0.05 0.00 -4.81 -1.12 3.41 -1.18 -4.92 113.62 105.04 1lql n SER 1615Ca -0.05 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.23 1lql n SER 1615Cb 0.23 -1.35 0.01 0.00 -0.26 0.00 0.00 64.21 62.84 1lql n SER 1615CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1lql s SER 1616N -1.28 5.89 0.19 4.04 1.04 -1.07 -4.70 113.70 117.81 1lql s SER 1616Ca 0.00 1.78 0.11 0.00 0.48 0.00 0.00 55.95 58.32 1lql s SER 1616Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 1lql s SER 1616CO 0.00 -1.09 -0.23 -0.04 0.98 0.00 0.00 173.24 172.85 1lql s MET 1617N -4.10 1.54 -0.03 4.02 -1.94 0.33 -0.44 119.30 118.68 1lql s MET 1617Ca 0.63 -1.49 0.02 0.00 -1.71 0.00 0.00 55.69 53.13 1lql s MET 1617Cb -0.15 -1.87 0.01 0.00 2.01 0.00 0.00 34.83 34.83 1lql s MET 1617CO 0.37 0.41 -0.06 0.95 -0.01 0.00 0.00 175.02 176.67 1lql s THR 1618N -1.61 0.57 0.07 2.05 -4.23 0.37 0.19 115.64 113.05 1lql s THR 1618Ca 0.20 -0.21 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1lql s THR 1618Cb -0.08 -0.55 -0.04 0.00 1.34 0.00 0.00 72.50 73.17 1lql s THR 1618CO 0.10 0.21 -0.07 0.00 -0.54 0.00 0.00 174.62 174.32 1lql s ALA 1619N 0.49 3.06 -0.11 3.99 0.00 0.14 0.45 121.76 129.78 1lql s ALA 1619Ca -0.07 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.77 1lql s ALA 1619Cb -0.10 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 21.99 1lql s ALA 1619CO 0.00 0.65 -0.17 0.42 0.00 0.00 0.00 175.76 176.66 1lql s ILE 1620N -1.18 1.65 -0.21 0.00 1.09 -0.17 -1.49 121.20 120.89 1lql s ILE 1620Ca 0.21 -0.74 -0.00 0.00 -1.10 0.00 0.00 60.65 59.02 1lql s ILE 1620Cb -0.11 -1.49 0.06 0.00 -1.06 0.00 0.00 42.46 39.86 1lql s ILE 1620CO 0.13 0.47 -0.04 -0.55 -0.10 0.00 0.00 174.94 174.85 1lql s SER 1621N 0.87 3.50 0.91 3.58 0.15 0.13 -2.95 113.70 119.90 1lql s SER 1621Ca -0.08 -1.01 0.00 0.00 0.70 0.00 0.00 55.95 55.55 1lql s SER 1621Cb -0.15 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 1lql s SER 1621CO -0.00 -0.23 0.00 0.47 1.20 0.00 0.00 173.24 174.67 1lql n ASP 1622N 4.77 0.00 -2.44 5.45 9.92 -1.26 0.87 116.55 133.86 1lql n ASP 1622Ca -0.12 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.79 1lql n ASP 1622Cb 0.45 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 41.00 1lql n ASP 1622CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1lql n GLN 1623N 14.00 2.68 -4.25 -1.24 6.02 -1.26 -4.95 117.38 128.38 1lql n GLN 1623Ca 0.00 -3.29 -0.17 0.00 -0.01 0.00 0.00 57.00 53.53 1lql n GLN 1623Cb 0.00 -2.27 -0.13 0.00 1.02 0.00 0.00 30.24 28.86 1lql n GLN 1623CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1lql s PHE 1624N -3.82 0.84 -0.02 1.08 0.08 0.25 -5.15 117.98 111.24 1lql s PHE 1624Ca 0.62 -0.29 0.03 0.00 0.12 0.00 0.00 56.93 57.41 1lql s PHE 1624Cb 0.49 -0.51 -0.00 0.00 -0.57 0.00 0.00 43.02 42.42 1lql s PHE 1624CO -0.09 -0.01 -0.12 -0.65 -0.10 0.00 0.00 175.22 174.25 1lql s GLN 1625N -0.82 1.15 -0.09 0.44 -0.21 -1.26 0.21 119.66 119.07 1lql s GLN 1625Ca -0.01 -0.42 0.01 0.00 0.02 0.00 0.00 55.36 54.96 1lql s GLN 1625Cb -0.06 -1.06 0.02 0.00 1.00 0.00 0.00 33.01 32.91 1lql s GLN 1625CO 0.00 0.20 -0.10 0.42 -2.12 0.00 0.00 175.29 173.69 1lql s ILE 1626N -0.01 1.12 -0.41 1.08 1.09 -0.56 -4.95 121.20 118.56 1lql s ILE 1626Ca -0.00 -0.40 -0.18 0.00 -1.10 0.00 0.00 60.65 58.97 1lql s ILE 1626Cb -0.08 -1.08 0.02 0.00 -1.06 0.00 0.00 42.46 40.26 1lql s ILE 1626CO 0.00 0.37 0.46 0.42 -0.10 0.00 0.00 174.94 176.10 1lql s THR 1627N 1.22 5.06 0.32 2.92 -4.23 -1.26 0.23 115.64 119.89 1lql s THR 1627Ca -0.04 -0.18 0.02 0.00 -1.18 0.00 0.00 61.69 60.31 1lql s THR 1627Cb -0.14 -4.03 -0.03 0.00 1.34 0.00 0.00 72.50 69.64 1lql s THR 1627CO -0.03 -0.38 0.50 -0.76 -0.54 0.00 0.00 174.62 173.40 1lql s LEU 1628N 2.23 4.10 -0.24 4.79 1.02 0.49 -3.49 118.68 127.59 1lql s LEU 1628Ca 0.14 0.35 -0.17 0.00 0.02 0.00 0.00 54.13 54.47 1lql s LEU 1628Cb -0.16 -3.19 0.07 0.00 0.02 0.00 0.00 46.19 42.92 1lql s LEU 1628CO 0.14 -0.23 0.60 -0.62 0.02 0.00 0.00 176.35 176.26 1lql s ASP 1629N -4.01 -0.73 0.00 2.29 -1.08 0.98 0.12 116.67 114.24 1lql s ASP 1629Ca 0.38 1.28 0.23 0.00 -0.52 0.00 0.00 52.55 53.92 1lql s ASP 1629Cb -0.09 1.21 0.35 0.00 -1.46 0.00 0.00 42.92 42.93 1lql s ASP 1629CO 0.34 -0.22 1.34 0.00 0.52 0.00 0.00 175.17 177.16 1lql n ALA 1630N 3.65 2.43 -1.23 3.66 0.00 -1.26 -3.61 120.51 124.14 1lql n ALA 1630Ca -0.18 -0.91 -0.31 0.00 0.00 0.00 0.00 53.44 52.03 1lql n ALA 1630Cb 0.57 -0.83 0.09 0.00 0.00 0.00 0.00 19.45 19.28 1lql n ALA 1630CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1lql s ARG 1631N -1.59 2.19 0.95 0.00 0.52 -1.26 -5.01 118.95 114.76 1lql s ARG 1631Ca 0.35 1.25 -0.12 0.00 -0.52 0.00 0.00 55.73 56.69 1lql s ARG 1631Cb 0.21 -1.88 0.16 0.00 0.52 0.00 0.00 34.95 33.96 1lql s ARG 1631CO 0.30 -1.71 1.09 -2.14 0.02 0.00 0.00 175.30 172.87 1lql s PRO 1632N -4.76 0.78 0.14 3.54 0.02 -1.26 -4.60 135.00 128.86 1lql s PRO 1632Ca 0.63 0.70 -0.31 0.00 0.02 0.00 0.00 61.00 62.03 1lql s PRO 1632Cb -0.18 -1.76 -0.07 0.00 0.02 0.00 0.00 34.50 32.50 1lql s PRO 1632CO 0.54 -2.54 1.55 0.87 -0.33 0.00 0.00 177.00 177.09 1lql h LYS 1633N -1.76 -0.26 -0.48 5.54 1.57 -1.99 -0.98 116.57 118.20 1lql h LYS 1633Ca -0.52 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.35 1lql h LYS 1633Cb 1.31 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 33.58 1lql h LYS 1633CO 0.55 -0.18 -0.47 1.12 -0.57 0.00 0.00 179.45 179.91 1lql h HIS 1634N -0.27 -1.40 0.78 -1.35 2.07 -2.05 -2.51 115.15 110.42 1lql h HIS 1634Ca 0.11 0.08 -0.04 0.00 -2.85 0.00 0.00 60.37 57.67 1lql h HIS 1634Cb 0.55 0.68 0.01 0.00 2.57 0.00 0.00 27.41 31.21 1lql h HIS 1634CO -0.80 -0.45 -0.38 1.15 -3.07 0.00 0.00 177.93 174.38 1lql h THR 1635N -0.31 0.22 -3.25 6.12 2.02 -1.85 -3.49 112.91 112.38 1lql h THR 1635Ca 0.14 -0.02 0.38 0.00 0.77 0.00 0.00 66.41 67.67 1lql h THR 1635Cb 0.58 0.23 -0.12 0.00 -1.74 0.00 0.00 68.15 67.10 1lql h THR 1635CO -0.63 0.00 -0.67 0.00 0.37 0.00 0.00 175.52 174.60 1lql n ALA 1636N -2.55 -3.76 0.00 6.16 0.00 -0.40 -5.02 120.51 114.94 1lql n ALA 1636Ca -0.15 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1lql n ALA 1636Cb 0.42 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1lql n ALA 1636CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1lql n LYS 1637N -4.22 0.00 -3.27 0.00 5.02 -1.26 -5.01 118.16 109.42 1lql n LYS 1637Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1lql n LYS 1637Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.68 1lql n LYS 1637CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lql n GLY 1638N 0.00 -1.37 3.68 0.72 0.00 -1.24 -4.81 105.19 102.18 1lql n GLY 1638Ca 0.00 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 1lql n GLY 1638CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lql s PHE 1639N -2.72 2.11 0.36 1.61 2.99 -1.23 -4.41 117.98 116.70 1lql s PHE 1639Ca 0.00 1.16 -0.03 0.00 0.00 0.00 0.00 56.93 58.06 1lql s PHE 1639Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 43.02 39.78 1lql s PHE 1639CO 0.00 -2.75 0.60 0.20 -0.00 0.00 0.00 175.22 173.27 1lql s GLY 1640N -3.32 1.54 0.00 4.36 0.00 -1.24 -0.01 107.32 108.65 1lql s GLY 1640Ca 0.65 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.66 1lql s GLY 1640CO 0.58 -0.60 0.99 -1.05 0.00 0.00 0.00 173.10 173.01 1lql n PRO 1641N -1.61 0.00 -0.31 2.90 -0.02 -1.26 -1.10 135.00 133.60 1lql n PRO 1641Ca -0.03 0.96 0.06 0.00 -2.02 0.00 0.00 63.50 62.48 1lql n PRO 1641Cb 0.55 -1.49 0.26 0.00 -0.02 0.00 0.00 33.50 32.81 1lql n PRO 1641CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1lql h LEU 1642N 0.00 0.87 -0.34 2.45 3.38 -1.97 -0.71 115.31 118.99 1lql h LEU 1642Ca 0.00 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1lql h LEU 1642Cb 0.00 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1lql h LEU 1642CO 0.00 0.52 -0.01 0.00 0.09 0.00 0.00 178.44 179.04 1lql h ALA 1643N 1.53 0.30 -0.49 1.53 0.00 -1.63 0.17 119.26 120.67 1lql h ALA 1643Ca 0.43 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.37 1lql h ALA 1643Cb 0.36 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1lql h ALA 1643CO -0.18 -0.41 0.07 0.00 0.00 0.00 0.00 179.25 178.73 1lql h ALA 1644N 1.30 0.65 -0.15 0.00 0.00 -0.32 -1.22 119.26 119.52 1lql h ALA 1644Ca 0.16 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1lql h ALA 1644Cb 0.23 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1lql h ALA 1644CO -0.28 0.39 -0.18 1.25 0.00 0.00 0.00 179.25 180.43 1lql h LEU 1645N 0.69 -0.56 -1.70 0.00 6.46 -0.16 0.18 115.31 120.20 1lql h LEU 1645Ca 0.15 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1lql h LEU 1645Cb 0.41 0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 1lql h LEU 1645CO 0.01 -0.23 0.14 -0.07 -0.62 0.00 0.00 178.44 177.67 1lql h LEU 1646N -0.22 0.30 -1.13 2.25 3.38 -0.52 0.72 115.31 120.08 1lql h LEU 1646Ca 0.10 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1lql h LEU 1646Cb 0.37 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1lql h LEU 1646CO -0.28 0.24 -0.25 0.28 0.09 0.00 0.00 178.44 178.52 1lql h SER 1647N 0.34 0.29 0.16 -0.43 0.02 0.30 0.65 113.55 114.88 1lql h SER 1647Ca 0.09 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1lql h SER 1647Cb 0.01 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1lql h SER 1647CO -0.02 0.55 -0.08 1.23 -1.14 0.00 0.00 176.83 177.38 1lql h GLY 1648N 0.99 -0.22 -0.13 -3.77 0.00 0.15 0.55 103.07 100.63 1lql h GLY 1648Ca 0.04 0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.51 1lql h GLY 1648CO 0.04 -0.08 -0.44 -2.00 0.00 0.00 0.00 176.54 174.06 1lql h LEU 1649N -0.43 -1.41 -0.20 3.11 6.46 -0.37 0.38 115.31 122.85 1lql h LEU 1649Ca -0.02 0.20 0.04 0.00 -0.12 0.00 0.00 57.88 57.97 1lql h LEU 1649Cb 0.33 0.59 -0.07 0.00 -0.73 0.00 0.00 40.66 40.78 1lql h LEU 1649CO 0.04 -0.41 -0.51 0.00 -0.62 0.00 0.00 178.44 176.94 1lql h ALA 1650N 0.20 -0.77 -0.82 1.25 0.00 0.66 -0.85 119.26 118.94 1lql h ALA 1650Ca 0.10 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.15 1lql h ALA 1650Cb 0.61 0.97 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 1lql h ALA 1650CO -0.48 -1.03 0.54 0.00 0.00 0.00 0.00 179.25 178.29 1lql h ALA 1651N -0.10 2.18 0.19 0.00 0.00 0.15 -0.47 119.26 121.21 1lql h ALA 1651Ca 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1lql h ALA 1651Cb 0.65 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1lql h ALA 1651CO -0.47 -0.42 -0.09 0.00 0.00 0.00 0.00 179.25 178.27 1lql h GLU 1653N -0.42 -0.66 -0.43 0.00 4.39 -0.11 0.13 114.58 117.48 1lql h GLU 1653Ca -0.03 0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.78 1lql h GLU 1653Cb 0.33 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.07 1lql h GLU 1653CO 0.04 -0.44 0.12 -0.07 -1.16 0.00 0.00 179.01 177.50 1lql h LEU 1654N -0.69 0.09 0.19 1.33 3.38 -1.18 -0.35 115.31 118.09 1lql h LEU 1654Ca 0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1lql h LEU 1654Cb 0.69 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1lql h LEU 1654CO -0.21 0.09 -0.09 0.00 0.09 0.00 0.00 178.44 178.32 1lql h ALA 1655N 1.30 -0.25 -0.61 1.53 0.00 -0.85 0.18 119.26 120.56 1lql h ALA 1655Ca 0.21 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1lql h ALA 1655Cb 0.22 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1lql h ALA 1655CO -0.24 -0.63 0.03 1.79 0.00 0.00 0.00 179.25 180.20 1lql h THR 1656N -0.27 1.26 -0.36 0.00 1.35 -0.81 -0.46 112.91 113.62 1lql h THR 1656Ca -0.03 -1.11 -0.03 0.00 -0.55 0.00 0.00 66.41 64.70 1lql h THR 1656Cb 0.21 0.77 -0.02 0.00 -1.73 0.00 0.00 68.15 67.38 1lql h THR 1656CO 0.04 0.40 0.09 0.00 -0.25 0.00 0.00 175.52 175.81 1lql h ALA 1657N 1.06 1.50 0.00 6.62 0.00 -0.90 0.12 119.26 127.66 1lql h ALA 1657Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1lql h ALA 1657Cb 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1lql h ALA 1657CO 0.03 0.37 0.00 -1.71 0.00 0.00 0.00 179.25 177.94 1lql n ASN 1658N -4.35 0.00 -0.10 0.00 2.85 0.60 -2.40 115.26 111.87 1lql n ASN 1658Ca 0.02 0.39 -0.10 0.00 -0.11 0.00 0.00 54.58 54.78 1lql n ASN 1658Cb 0.18 -0.46 -0.16 0.00 1.24 0.00 0.00 39.78 40.58 1lql n ASN 1658CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1lql n LEU 1659N -1.46 0.13 0.04 1.20 4.77 -0.05 -4.51 117.00 117.12 1lql n LEU 1659Ca 0.08 0.03 0.02 0.00 -0.03 0.00 0.00 56.01 56.11 1lql n LEU 1659Cb 0.32 0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 41.78 1lql n LEU 1659CO 0.26 0.50 -0.25 0.23 -1.33 0.00 0.00 177.39 176.80 1lql n MET 1660N -2.78 0.62 -0.39 3.23 2.81 0.23 -4.49 117.12 116.35 1lql n MET 1660Ca -0.32 0.19 -0.08 0.00 -1.81 0.00 0.00 57.70 55.68 1lql n MET 1660Cb 1.15 -1.80 -0.07 0.00 -0.71 0.00 0.00 33.22 31.79 1lql n MET 1660CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1lql n ALA 1661N -2.36 -0.50 -0.12 3.04 0.00 -1.01 -1.63 120.51 117.93 1lql n ALA 1661Ca -0.08 0.83 -0.06 0.00 0.00 0.00 0.00 53.44 54.13 1lql n ALA 1661Cb 0.78 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1lql n ALA 1661CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1lql h PRO 1662N 0.00 -0.17 0.00 0.00 0.11 -1.79 0.83 132.00 130.99 1lql h PRO 1662Ca 0.19 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1lql h PRO 1662Cb 0.42 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1lql h PRO 1662CO -0.90 -0.11 0.00 0.00 -0.21 0.00 0.00 178.00 176.78 1lql n ALA 1663N -2.94 2.42 -0.01 -0.75 0.00 -0.65 -1.75 120.51 116.84 1lql n ALA 1663Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1lql n ALA 1663Cb 0.31 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1lql n ALA 1663CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1lql n LYS 1664N -0.65 5.50 -3.58 0.00 4.76 0.25 -5.02 118.16 119.43 1lql n LYS 1664Ca 0.06 -0.07 -0.20 0.00 -2.87 0.00 0.00 58.31 55.23 1lql n LYS 1664Cb 0.03 -0.55 0.06 0.00 -1.84 0.00 0.00 35.03 32.73 1lql n LYS 1664CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1lql n MET 1665N -0.81 -6.07 -4.37 1.97 2.81 0.27 -5.00 117.12 105.92 1lql n MET 1665Ca 0.00 0.75 -0.34 0.00 -1.81 0.00 0.00 57.70 56.30 1lql n MET 1665Cb 0.00 -5.59 -0.13 0.00 -0.71 0.00 0.00 33.22 26.79 1lql n MET 1665CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1lql s ILE 1666N -3.47 3.74 -0.25 2.02 1.09 -0.81 -5.01 121.20 118.52 1lql s ILE 1666Ca 0.10 -0.40 -0.08 0.00 -1.10 0.00 0.00 60.65 59.17 1lql s ILE 1666Cb -0.05 -2.64 -0.03 0.00 -1.06 0.00 0.00 42.46 38.68 1lql s ILE 1666CO 0.77 0.48 0.09 0.28 -0.10 0.00 0.00 174.94 176.46 1lql s THR 1667N 0.53 4.47 -0.17 2.92 -1.32 -1.26 -4.39 115.64 116.42 1lql s THR 1667Ca -0.04 -0.12 -0.07 0.00 -1.21 0.00 0.00 61.69 60.26 1lql s THR 1667Cb -0.14 -3.09 -0.04 0.00 -1.51 0.00 0.00 72.50 67.71 1lql s THR 1667CO 0.03 0.33 0.06 -0.63 -2.21 0.00 0.00 174.62 172.20 1lql s ILE 1668N 1.57 4.74 -0.03 5.08 1.01 -1.26 -4.04 121.20 128.27 1lql s ILE 1668Ca 0.06 -0.06 0.12 0.00 0.00 0.00 0.00 60.65 60.78 1lql s ILE 1668Cb -0.15 -3.12 -0.18 0.00 0.01 0.00 0.00 42.46 39.02 1lql s ILE 1668CO 0.05 0.49 0.24 0.59 0.00 0.00 0.00 174.94 176.30 1lql n ASN 1669N 3.31 2.19 -3.64 3.58 4.13 -0.48 -4.99 115.26 119.36 1lql n ASN 1669Ca -0.17 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 55.97 1lql n ASN 1669Cb 0.52 1.46 -0.07 0.00 -1.54 0.00 0.00 39.78 40.16 1lql n ASN 1669CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1lql s LYS 1670N -2.78 0.77 -0.07 3.52 -0.14 -1.22 -4.99 119.74 114.83 1lql s LYS 1670Ca -0.05 1.02 -0.08 0.00 -1.36 0.00 0.00 55.97 55.50 1lql s LYS 1670Cb 0.07 0.32 0.02 0.00 -1.68 0.00 0.00 37.83 36.56 1lql s LYS 1670CO 0.51 -0.11 0.21 -1.17 -0.76 0.00 0.00 175.35 174.02 1lql s LEU 1671N 0.69 1.21 -0.07 3.17 0.20 -1.26 -0.91 118.68 121.71 1lql s LEU 1671Ca -0.03 0.35 -0.30 0.00 0.69 0.00 0.00 54.13 54.85 1lql s LEU 1671Cb -0.05 0.75 0.11 0.00 -0.43 0.00 0.00 46.19 46.57 1lql s LEU 1671CO -0.04 -0.12 0.93 -1.48 -0.29 0.00 0.00 176.35 175.35 1lql s LEU 1672N -0.10 -0.37 -0.04 -0.68 0.05 -1.14 -5.03 118.68 111.36 1lql s LEU 1672Ca -0.02 0.16 -0.05 0.00 0.05 0.00 0.00 54.13 54.27 1lql s LEU 1672Cb -0.02 1.96 0.01 0.00 -2.05 0.00 0.00 46.19 46.09 1lql s LEU 1672CO 0.01 -0.51 0.13 -0.32 -0.55 0.00 0.00 176.35 175.11 1lql s MET 1673N -2.35 0.24 -0.14 1.48 1.75 -1.26 -1.28 119.30 117.73 1lql s MET 1673Ca 0.02 0.04 -0.02 0.00 -1.25 0.00 0.00 55.69 54.48 1lql s MET 1673Cb -0.01 0.11 -0.02 0.00 2.84 0.00 0.00 34.83 37.75 1lql s MET 1673CO -0.05 -0.04 -0.08 1.21 -0.65 0.00 0.00 175.02 175.41 1lql s ASN 1674N -0.29 4.46 -0.04 1.11 3.84 -0.38 -4.95 114.94 118.68 1lql s ASN 1674Ca -0.04 -0.20 0.07 0.00 0.21 0.00 0.00 52.86 52.90 1lql s ASN 1674Cb -0.03 -1.67 -0.02 0.00 -0.55 0.00 0.00 41.25 38.99 1lql s ASN 1674CO 0.00 0.18 -0.25 -0.69 -2.79 0.00 0.00 177.10 173.56 1lql s VAL 1675N 0.27 2.12 0.01 -5.21 1.01 -1.26 -0.21 120.40 117.14 1lql s VAL 1675Ca -0.06 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1lql s VAL 1675Cb -0.15 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 1lql s VAL 1675CO 0.04 0.58 -0.04 0.42 0.00 0.00 0.00 175.10 176.10 1lql s THR 1676N -0.39 0.23 0.28 3.92 -4.23 -0.51 -4.96 115.64 109.98 1lql s THR 1676Ca 0.03 -0.50 -0.11 0.00 -1.18 0.00 0.00 61.69 59.93 1lql s THR 1676Cb -0.12 -0.27 0.00 0.00 1.34 0.00 0.00 72.50 73.45 1lql s THR 1676CO 0.01 -0.18 0.50 -0.83 -0.54 0.00 0.00 174.62 173.59 1lql s GLY 1677N -0.72 0.74 0.18 3.99 0.00 -1.26 0.13 107.32 110.38 1lql s GLY 1677Ca -0.06 -1.02 -0.20 0.00 0.00 0.00 0.00 44.72 43.45 1lql s GLY 1677CO -0.00 -0.69 0.55 -1.35 0.00 0.00 0.00 173.10 171.61 1lql s SER 1678N -3.07 -0.39 0.13 1.64 1.04 -0.37 -4.98 113.70 107.70 1lql s SER 1678Ca 0.24 -0.26 -0.17 0.00 0.48 0.00 0.00 55.95 56.23 1lql s SER 1678Cb -0.01 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.74 1lql s SER 1678CO 0.12 -1.01 0.44 0.00 0.98 0.00 0.00 173.24 173.76 1lql s ARG 1679N -3.81 1.10 -0.13 4.02 1.70 -1.26 -1.18 118.95 119.39 1lql s ARG 1679Ca 0.05 -0.67 -0.12 0.00 -0.47 0.00 0.00 55.73 54.52 1lql s ARG 1679Cb -0.01 0.49 -0.05 0.00 -0.57 0.00 0.00 34.95 34.81 1lql s ARG 1679CO -0.08 -0.44 0.25 -1.12 -1.08 0.00 0.00 175.30 172.83 1lql s SER 1680N -2.79 6.45 0.06 -2.89 0.01 -1.26 -4.98 113.70 108.29 1lql s SER 1680Ca 0.03 0.53 -0.05 0.00 1.31 0.00 0.00 55.95 57.76 1lql s SER 1680Cb 0.01 -2.15 -0.29 0.00 0.21 0.00 0.00 66.02 63.81 1lql s SER 1680CO -0.12 0.22 1.07 0.71 0.41 0.00 0.00 173.24 175.53 1lql h THR 1681N 4.36 1.41 -2.69 1.44 1.35 -1.94 -3.38 112.91 113.46 1lql h THR 1681Ca -0.46 -2.99 -0.61 0.00 -0.55 0.00 0.00 66.41 61.80 1lql h THR 1681Cb 1.19 2.91 -0.42 0.00 -1.73 0.00 0.00 68.15 70.10 1lql h THR 1681CO 0.69 0.87 -0.62 -3.20 -0.25 0.00 0.00 175.52 173.01 1lql n ASN 1682N -3.53 2.96 -4.87 5.36 5.15 -1.26 -5.09 115.26 113.99 1lql n ASN 1682Ca -0.11 -3.22 -0.30 0.00 -0.60 0.00 0.00 54.58 50.35 1lql n ASN 1682Cb 1.03 -0.71 -0.01 0.00 -0.53 0.00 0.00 39.78 39.56 1lql n ASN 1682CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1lql s PRO 1683N -1.72 3.71 -0.12 1.20 0.04 -1.26 -4.99 135.00 131.86 1lql s PRO 1683Ca 0.31 0.57 0.16 0.00 0.04 0.00 0.00 61.00 62.08 1lql s PRO 1683Cb 0.04 -2.26 -0.24 0.00 0.04 0.00 0.00 34.50 32.08 1lql s PRO 1683CO -0.12 -0.26 0.36 2.41 0.04 0.00 0.00 177.00 179.44 1lql n THR 1684N -1.95 1.44 0.00 1.26 -1.04 -1.26 -4.36 114.28 108.38 1lql n THR 1684Ca 0.04 -0.82 -0.12 0.00 -2.04 0.00 0.00 64.05 61.11 1lql n THR 1684Cb 0.54 -0.71 -0.06 0.00 -1.82 0.00 0.00 70.33 68.28 1lql n THR 1684CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1lql h ASP 1685N 0.00 0.08 0.00 8.00 3.32 -2.02 -3.46 116.42 122.34 1lql h ASP 1685Ca -0.41 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1lql h ASP 1685Cb 2.09 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.62 1lql h ASP 1685CO 0.05 0.14 0.00 0.61 -1.72 0.00 0.00 179.24 178.32 1lql n GLY 1686N -0.89 1.14 3.52 2.75 0.00 -1.26 -5.07 105.19 105.38 1lql n GLY 1686Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1lql n GLY 1686CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lql s TYR 1687N -2.00 3.21 -1.04 1.61 5.04 -1.26 -4.90 117.35 118.00 1lql s TYR 1687Ca 0.00 -0.18 0.17 0.00 -2.44 0.00 0.00 57.07 54.62 1lql s TYR 1687Cb 0.00 -2.70 -0.13 0.00 0.35 0.00 0.00 41.96 39.49 1lql s TYR 1687CO 0.00 -0.50 0.77 1.19 -1.34 0.00 0.00 175.55 175.67 1lql n PHE 1688N 5.38 0.00 -1.23 4.97 3.72 -1.26 -4.70 117.46 124.34 1lql n PHE 1688Ca -0.09 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.01 1lql n PHE 1688Cb 0.49 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.26 1lql n PHE 1688CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1lql s GLY 1689N -2.41 1.62 0.04 1.37 0.00 -1.26 -4.62 107.32 102.06 1lql s GLY 1689Ca 0.09 -1.00 -0.30 0.00 0.00 0.00 0.00 44.72 43.51 1lql s GLY 1689CO 0.61 -0.13 1.69 1.08 0.00 0.00 0.00 173.10 176.35 1lql s LEU 1690N -6.76 4.36 0.06 0.66 1.43 -1.26 -4.55 118.68 112.62 1lql s LEU 1690Ca 0.71 2.45 0.12 0.00 -1.03 0.00 0.00 54.13 56.39 1lql s LEU 1690Cb -0.09 -3.55 -0.17 0.00 0.03 0.00 0.00 46.19 42.41 1lql s LEU 1690CO 0.55 -0.92 0.97 0.03 0.23 0.00 0.00 176.35 177.21 1lql h ARG 1691N 8.88 0.00 -3.11 1.70 3.08 -1.33 -3.37 114.38 120.24 1lql h ARG 1691Ca -0.43 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.46 1lql h ARG 1691Cb 1.20 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.99 1lql h ARG 1691CO 0.94 0.61 -0.43 -2.00 -1.07 0.00 0.00 179.97 178.02 1lql s GLU 1692N -2.73 0.29 -0.03 0.04 2.12 -1.21 -1.32 118.70 115.86 1lql s GLU 1692Ca -0.02 0.37 0.01 0.00 0.36 0.00 0.00 54.97 55.69 1lql s GLU 1692Cb 0.09 0.12 0.02 0.00 0.26 0.00 0.00 34.13 34.62 1lql s GLU 1692CO 0.81 -0.05 -0.01 -1.50 -0.54 0.00 0.00 175.26 173.97 1lql s ILE 1693N 0.25 0.27 -0.19 -3.70 -1.16 -1.13 -1.24 121.20 114.30 1lql s ILE 1693Ca -0.01 0.01 0.00 0.00 -0.51 0.00 0.00 60.65 60.15 1lql s ILE 1693Cb -0.03 -0.34 0.02 0.00 0.61 0.00 0.00 42.46 42.72 1lql s ILE 1693CO -0.01 0.16 -0.18 0.20 -2.81 0.00 0.00 174.94 172.30 1lql s ASN 1694N 0.88 3.31 -0.27 4.50 0.01 0.35 -1.37 114.94 122.35 1lql s ASN 1694Ca -0.10 -0.64 -0.10 0.00 -0.71 0.00 0.00 52.86 51.32 1lql s ASN 1694Cb -0.13 -1.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.98 1lql s ASN 1694CO -0.01 -0.01 0.15 -0.76 -1.51 0.00 0.00 177.10 174.96 1lql s LEU 1695N 1.31 3.81 -0.21 0.60 1.43 0.70 -1.43 118.68 124.89 1lql s LEU 1695Ca 0.05 -0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1lql s LEU 1695Cb -0.13 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1lql s LEU 1695CO -0.12 -0.04 -0.08 -2.28 0.23 0.00 0.00 176.35 174.06 1lql s HIS 1696N 1.69 2.92 0.06 0.29 2.46 0.70 -2.33 115.29 121.09 1lql s HIS 1696Ca 0.07 -1.14 -0.12 0.00 0.47 0.00 0.00 55.06 54.33 1lql s HIS 1696Cb -0.16 -2.06 -0.06 0.00 -0.13 0.00 0.00 32.58 30.18 1lql s HIS 1696CO 0.08 -0.62 0.42 -1.58 -2.47 0.00 0.00 174.74 170.57 1lql s TRP 1697N 1.43 3.64 -0.37 3.88 0.52 0.24 -1.25 118.94 127.02 1lql s TRP 1697Ca 0.05 0.89 0.00 0.00 0.02 0.00 0.00 56.10 57.07 1lql s TRP 1697Cb -0.14 -2.23 0.13 0.00 -1.15 0.00 0.00 33.47 30.08 1lql s TRP 1697CO -0.06 0.55 0.20 -2.00 0.02 0.00 0.00 176.95 175.67 1lql s GLU 1698N -1.63 0.76 -0.17 4.98 2.12 -0.40 0.54 118.70 124.89 1lql s GLU 1698Ca 0.30 -1.44 -0.09 0.00 0.36 0.00 0.00 54.97 54.10 1lql s GLU 1698Cb -0.15 -1.67 -0.05 0.00 0.26 0.00 0.00 34.13 32.53 1lql s GLU 1698CO 0.16 -1.16 0.14 0.42 -0.54 0.00 0.00 175.26 174.29 1lql s ILE 1699N 1.00 5.43 -0.67 -3.70 1.01 -0.56 -2.90 121.20 120.81 1lql s ILE 1699Ca 0.16 0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.94 1lql s ILE 1699Cb -0.22 -3.46 0.17 0.00 0.01 0.00 0.00 42.46 38.96 1lql s ILE 1699CO -0.05 0.49 0.55 -1.00 0.00 0.00 0.00 174.94 174.93 1lql s HIS 1700N -0.02 3.54 0.01 3.97 3.76 -0.09 -0.60 115.29 125.86 1lql s HIS 1700Ca 0.10 -2.19 0.03 0.00 -0.15 0.00 0.00 55.06 52.85 1lql s HIS 1700Cb -0.11 -3.53 -0.01 0.00 1.11 0.00 0.00 32.58 30.03 1lql s HIS 1700CO 0.00 -0.94 -0.09 0.45 -0.85 0.00 0.00 174.74 173.31 1lql s SER 1701N 1.81 1.03 0.00 1.40 0.15 -1.11 -1.39 113.70 115.59 1lql s SER 1701Ca 0.14 -0.28 0.30 0.00 0.70 0.00 0.00 55.95 56.82 1lql s SER 1701Cb -0.18 -0.07 1.77 0.00 -1.71 0.00 0.00 66.02 65.83 1lql s SER 1701CO -0.05 0.02 2.13 -0.81 1.20 0.00 0.00 173.24 175.74 1lql n PRO 1702N 2.43 0.88 -1.94 5.44 -0.04 -1.26 -4.38 135.00 136.12 1lql n PRO 1702Ca -0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 1lql n PRO 1702Cb 0.56 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.54 1lql n PRO 1702CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1lql s ASN 1703N -2.09 5.64 0.78 3.54 0.01 -1.26 -5.04 114.94 116.53 1lql s ASN 1703Ca 0.43 1.81 -0.11 0.00 -0.71 0.00 0.00 52.86 54.28 1lql s ASN 1703Cb 0.21 -2.53 0.06 0.00 0.41 0.00 0.00 41.25 39.40 1lql s ASN 1703CO 0.37 -1.26 1.09 -0.94 -1.51 0.00 0.00 177.10 174.84 1lql s SER 1704N -2.90 4.60 0.08 -1.22 1.04 -1.26 -4.80 113.70 109.24 1lql s SER 1704Ca 0.63 1.41 -0.29 0.00 0.48 0.00 0.00 55.95 58.18 1lql s SER 1704Cb -0.16 -2.17 -0.13 0.00 0.10 0.00 0.00 66.02 63.66 1lql s SER 1704CO 0.40 -1.91 1.45 -0.33 0.98 0.00 0.00 173.24 173.83 1lql h GLU 1705N -1.05 -0.68 -0.78 4.02 5.08 -1.97 0.62 114.58 119.83 1lql h GLU 1705Ca -0.46 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.10 1lql h GLU 1705Cb 1.26 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.61 1lql h GLU 1705CO 0.58 -0.45 0.52 1.79 -1.00 0.00 0.00 179.01 180.45 1lql h THR 1706N -0.71 0.79 0.49 1.13 1.35 -1.97 1.11 112.91 115.10 1lql h THR 1706Ca -0.02 -0.15 -0.02 0.00 -0.55 0.00 0.00 66.41 65.66 1lql h THR 1706Cb 0.66 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1lql h THR 1706CO -0.16 0.08 -0.23 -0.33 -0.25 0.00 0.00 175.52 174.63 1lql h GLU 1707N 0.44 -0.63 -0.90 4.72 5.08 -1.78 -1.27 114.58 120.25 1lql h GLU 1707Ca 0.39 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.83 1lql h GLU 1707Cb 0.86 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.20 1lql h GLU 1707CO -0.13 -0.33 0.58 0.82 -1.00 0.00 0.00 179.01 178.95 1lql h ILE 1708N -1.00 1.12 0.29 3.13 1.08 0.00 0.24 117.51 122.37 1lql h ILE 1708Ca -0.07 -0.38 -0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1lql h ILE 1708Cb 0.60 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.26 1lql h ILE 1708CO 0.11 0.20 -0.24 0.50 -0.69 0.00 0.00 178.15 178.03 1lql h LYS 1709N 1.10 -0.52 -0.61 2.37 3.11 0.12 -1.22 116.57 120.92 1lql h LYS 1709Ca 0.37 0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 58.23 1lql h LYS 1709Cb 0.05 0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.37 1lql h LYS 1709CO -0.13 -0.35 0.34 0.93 -2.81 0.00 0.00 179.45 177.43 1lql h GLU 1710N -0.54 0.85 -0.27 1.90 5.08 -0.77 -2.51 114.58 118.33 1lql h GLU 1710Ca -0.02 -0.10 0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1lql h GLU 1710Cb 0.48 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1lql h GLU 1710CO -0.02 0.65 -0.11 0.35 -1.00 0.00 0.00 179.01 178.88 1lql h PHE 1711N 0.83 -0.26 -0.69 4.33 -0.00 -0.30 -2.09 116.94 118.76 1lql h PHE 1711Ca 0.22 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 58.21 1lql h PHE 1711Cb 0.04 0.16 -0.03 0.00 -0.00 0.00 0.00 35.95 36.11 1lql h PHE 1711CO -0.01 -0.17 0.43 0.82 -0.00 0.00 0.00 178.31 179.38 1lql h ILE 1712N -0.07 1.19 -0.68 1.41 2.04 -0.99 -0.33 117.51 120.09 1lql h ILE 1712Ca 0.14 -0.39 0.10 0.00 1.00 0.00 0.00 64.86 65.71 1lql h ILE 1712Cb 0.27 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 1lql h ILE 1712CO -0.31 0.19 0.45 0.44 0.00 0.00 0.00 178.15 178.92 1lql h ASP 1713N 0.93 0.46 0.07 1.72 3.45 -1.06 0.30 116.42 122.29 1lql h ASP 1713Ca 0.25 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.72 1lql h ASP 1713Cb -0.06 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.63 1lql h ASP 1713CO -0.05 0.27 -0.03 0.15 -1.57 0.00 0.00 179.24 178.01 1lql h PHE 1714N 0.51 -0.09 -0.30 4.55 3.04 -0.51 -2.28 116.94 121.85 1lql h PHE 1714Ca 0.31 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.26 1lql h PHE 1714Cb 0.54 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.07 1lql h PHE 1714CO -0.00 0.22 0.17 0.28 -2.02 0.00 0.00 178.31 176.96 1lql h VAL 1715N -0.41 1.10 0.00 1.41 2.07 0.22 0.45 116.25 121.09 1lql h VAL 1715Ca -0.01 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 1lql h VAL 1715Cb 0.35 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1lql h VAL 1715CO 0.02 0.10 -0.37 0.28 0.02 0.00 0.00 177.57 177.62 1lql h SER 1716N 0.42 0.00 0.42 0.57 0.02 -0.32 0.44 113.55 115.09 1lql h SER 1716Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1lql h SER 1716Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1lql h SER 1716CO -0.02 0.37 -0.88 0.29 -1.14 0.00 0.00 176.83 175.45 1lql n LYS 1717N -3.45 0.19 -0.11 3.45 5.02 -0.73 -4.37 118.16 118.16 1lql n LYS 1717Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.09 1lql n LYS 1717Cb 0.53 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 1lql n LYS 1717CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1lql n ARG 1718N -1.81 0.56 -1.67 1.97 3.00 0.07 -4.87 116.66 113.92 1lql n ARG 1718Ca 0.03 0.33 -0.50 0.00 -0.00 0.00 0.00 57.85 57.71 1lql n ARG 1718Cb 0.40 -1.54 -0.05 0.00 0.00 0.00 0.00 32.46 31.27 1lql n ARG 1718CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1lql h PRO 1720N 7.09 0.51 0.02 0.00 0.11 -1.91 -2.02 132.00 135.81 1lql h PRO 1720Ca -0.47 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.64 1lql h PRO 1720Cb 1.29 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 1lql h PRO 1720CO 0.90 0.34 -0.31 0.00 -0.21 0.00 0.00 178.00 178.72 1lql h ALA 1721N 1.39 -0.47 -0.98 -0.75 0.00 -1.93 0.16 119.26 116.68 1lql h ALA 1721Ca 0.31 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.26 1lql h ALA 1721Cb 0.30 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1lql h ALA 1721CO -0.25 -0.83 0.63 1.25 0.00 0.00 0.00 179.25 180.05 1lql h HIS 1722N -0.47 1.17 -0.60 0.00 6.17 -1.82 -1.37 115.15 118.23 1lql h HIS 1722Ca 0.06 0.03 -0.08 0.00 0.71 0.00 0.00 60.37 61.09 1lql h HIS 1722Cb 0.55 -0.38 -0.02 0.00 2.52 0.00 0.00 27.41 30.07 1lql h HIS 1722CO -0.33 0.61 0.07 -0.97 0.71 0.00 0.00 177.93 178.02 1lql h ASN 1723N 1.15 0.94 0.67 3.26 -1.24 -0.57 0.30 115.58 120.10 1lql h ASN 1723Ca 0.42 -0.22 -0.03 0.00 0.71 0.00 0.00 56.30 57.18 1lql h ASN 1723Cb 0.15 -0.25 0.01 0.00 0.73 0.00 0.00 38.32 38.96 1lql h ASN 1723CO -0.17 0.96 -0.32 0.74 -1.29 0.00 0.00 177.43 177.35 1lql h THR 1724N 0.92 0.30 0.00 -3.57 2.02 0.17 -3.05 112.91 109.71 1lql h THR 1724Ca 0.18 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 1lql h THR 1724Cb 0.43 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1lql h THR 1724CO 0.01 0.01 -0.13 -0.07 0.37 0.00 0.00 175.52 175.72 1lql h LEU 1725N -0.99 0.00 -2.10 2.58 3.38 -1.14 -3.09 115.31 113.96 1lql h LEU 1725Ca -0.09 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1lql h LEU 1725Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1lql h LEU 1725CO 0.15 0.13 0.13 -0.61 0.09 0.00 0.00 178.44 178.33 1lql h GLN 1726N 0.00 0.00 -0.56 1.13 -0.00 -0.28 -2.38 115.11 113.02 1lql h GLN 1726Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1lql h GLN 1726Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.81 1lql h GLN 1726CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 178.83 179.26 1lql n GLY 1727N -1.51 1.63 0.37 2.39 0.00 -1.17 -4.58 105.19 102.33 1lql n GLY 1727Ca 0.01 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 1lql n GLY 1727CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1lql h VAL 1728N 3.09 0.00 0.00 1.61 2.07 -1.63 -3.48 116.25 117.92 1lql h VAL 1728Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1lql h VAL 1728Cb 0.82 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1lql h VAL 1728CO 0.04 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.09 1lql n SER 1729N -4.73 0.00 -0.80 0.57 3.41 -1.26 -4.68 113.62 106.13 1lql n SER 1729Ca -0.12 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.59 1lql n SER 1729Cb 0.37 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.42 1lql n SER 1729CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lql n GLN 1730N -0.06 1.77 -5.03 4.33 6.02 -1.26 -4.77 117.38 118.37 1lql n GLN 1730Ca 0.00 -1.73 -0.28 0.00 -0.01 0.00 0.00 57.00 54.98 1lql n GLN 1730Cb 0.00 -1.37 -0.15 0.00 1.02 0.00 0.00 30.24 29.73 1lql n GLN 1730CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1lql s LEU 1731N -1.50 2.07 -0.22 1.08 2.96 -1.26 -4.27 118.68 117.55 1lql s LEU 1731Ca 0.24 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 1lql s LEU 1731Cb 0.16 -1.15 0.06 0.00 0.50 0.00 0.00 46.19 45.76 1lql s LEU 1731CO 0.24 0.26 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.72 1lql s LYS 1732N -0.70 1.62 -0.12 1.98 2.20 -0.44 -4.83 119.74 119.45 1lql s LYS 1732Ca 0.09 -0.89 -0.22 0.00 -0.36 0.00 0.00 55.97 54.58 1lql s LYS 1732Cb -0.09 -2.48 -0.03 0.00 -1.51 0.00 0.00 37.83 33.71 1lql s LYS 1732CO -0.00 -0.56 0.65 0.42 -0.36 0.00 0.00 175.35 175.50 1lql s ILE 1733N 1.44 5.05 -0.12 5.43 1.01 -1.26 -2.84 121.20 129.92 1lql s ILE 1733Ca -0.04 1.30 -0.00 0.00 0.00 0.00 0.00 60.65 61.90 1lql s ILE 1733Cb -0.18 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 1lql s ILE 1733CO -0.07 0.20 -0.11 0.20 0.00 0.00 0.00 174.94 175.17 1lql s ASN 1734N 0.91 4.20 0.02 3.58 0.01 -0.47 -5.01 114.94 118.18 1lql s ASN 1734Ca 0.33 -0.25 0.08 0.00 -0.71 0.00 0.00 52.86 52.31 1lql s ASN 1734Cb -0.17 -1.49 -0.02 0.00 0.41 0.00 0.00 41.25 39.98 1lql s ASN 1734CO 0.14 0.21 -0.24 -0.69 -1.51 0.00 0.00 177.10 175.01 1lql s VAL 1735N 0.10 1.90 0.08 1.60 1.01 -1.26 -0.22 120.40 123.61 1lql s VAL 1735Ca -0.05 -1.18 -0.20 0.00 0.00 0.00 0.00 61.98 60.55 1lql s VAL 1735Cb -0.14 -1.61 0.05 0.00 0.00 0.00 0.00 36.38 34.67 1lql s VAL 1735CO 0.04 0.40 0.49 0.54 0.00 0.00 0.00 175.10 176.57 1lql s ASN 1736N -0.93 -0.39 0.06 3.32 4.22 -0.98 -5.00 114.94 115.24 1lql s ASN 1736Ca 0.10 0.02 -0.01 0.00 -2.14 0.00 0.00 52.86 50.83 1lql s ASN 1736Cb -0.09 0.49 -0.04 0.00 1.28 0.00 0.00 41.25 42.89 1lql s ASN 1736CO 0.01 -0.77 -0.04 0.54 -2.04 0.00 0.00 177.10 174.80 1lql s VAL 1737N -2.91 0.29 -0.21 3.54 0.11 -1.26 -0.59 120.40 119.37 1lql s VAL 1737Ca -0.03 -1.79 0.00 0.00 -2.93 0.00 0.00 61.98 57.23 1lql s VAL 1737Cb -0.00 -1.49 0.05 0.00 -1.53 0.00 0.00 36.38 33.41 1lql s VAL 1737CO -0.05 -0.96 -0.05 -0.89 -3.33 0.00 0.00 175.10 169.82 1lql s THR 1738N -3.76 1.35 -0.33 5.04 2.01 0.19 -4.89 115.64 115.25 1lql s THR 1738Ca 0.07 -1.00 -0.17 0.00 0.31 0.00 0.00 61.69 60.89 1lql s THR 1738Cb 0.07 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 1lql s THR 1738CO -0.09 -0.03 0.49 -0.22 -0.69 0.00 0.00 174.62 174.08 1lql s LEU 1739N 1.49 4.28 -0.31 4.42 0.20 -1.26 -1.49 118.68 126.01 1lql s LEU 1739Ca -0.03 0.07 -0.03 0.00 0.69 0.00 0.00 54.13 54.83 1lql s LEU 1739Cb -0.18 -2.56 0.05 0.00 -0.43 0.00 0.00 46.19 43.07 1lql s LEU 1739CO -0.07 -0.41 0.02 -0.69 -0.29 0.00 0.00 176.35 174.91 1lql s VAL 1740N 2.32 3.12 -2.18 1.68 1.01 0.23 -5.00 120.40 121.58 1lql s VAL 1740Ca 0.18 -1.35 0.31 0.00 0.00 0.00 0.00 61.98 61.12 1lql s VAL 1740Cb -0.16 -2.79 0.78 0.00 0.00 0.00 0.00 36.38 34.21 1lql s VAL 1740CO 0.12 -0.12 2.06 1.41 0.00 0.00 0.00 175.10 178.57