#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lqj n GLY 1566N 0.00 1.37 2.90 0.46 0.00 -1.26 -4.92 105.19 103.74 3lqj n GLY 1566Ca 0.00 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 3lqj n GLY 1566CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3lqj n ASN 1567N 0.00 4.71 -3.85 1.61 6.94 -1.26 -4.91 115.26 118.51 3lqj n ASN 1567Ca 0.00 -3.01 -0.11 0.00 -0.02 0.00 0.00 54.58 51.44 3lqj n ASN 1567Cb 0.00 -1.55 -0.09 0.00 -2.36 0.00 0.00 39.78 35.77 3lqj n ASN 1567CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3lqj s PHE 1568N 1.53 0.01 -0.11 -2.53 -0.12 -1.26 -1.63 117.98 113.87 3lqj s PHE 1568Ca 0.43 -0.10 -0.27 0.00 -0.05 0.00 0.00 56.93 56.94 3lqj s PHE 1568Cb 0.10 -0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.44 3lqj s PHE 1568CO -0.02 -0.32 0.90 0.00 -0.05 0.00 0.00 175.22 175.72 3lqj h PRO 1570N 7.11 0.00 0.16 0.00 0.13 -1.91 0.34 132.00 137.83 3lqj h PRO 1570Ca -0.33 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.46 3lqj h PRO 1570Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3lqj h PRO 1570CO 0.82 0.00 -1.75 -0.07 -0.23 0.00 0.00 178.00 176.77 3lqj h LEU 1571N 0.00 0.53 0.00 1.56 3.38 -1.92 -3.40 115.31 115.46 3lqj h LEU 1571Ca 0.00 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.13 3lqj h LEU 1571Cb 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3lqj h LEU 1571CO 0.00 1.71 -1.00 0.00 0.09 0.00 0.00 178.44 179.25 3lqj n ASP 1573N -1.56 -4.61 -4.87 0.00 8.00 0.12 -5.01 116.55 108.61 3lqj n ASP 1573Ca -0.00 0.14 -0.31 0.00 0.71 0.00 0.00 54.79 55.33 3lqj n ASP 1573Cb 0.21 -2.63 -0.04 0.00 -0.02 0.00 0.00 41.12 38.64 3lqj n ASP 1573CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3lqj s LYS 1574N -2.05 3.82 0.71 -1.24 -0.14 -1.26 -4.75 119.74 114.82 3lqj s LYS 1574Ca 0.00 0.41 -0.11 0.00 -1.36 0.00 0.00 55.97 54.91 3lqj s LYS 1574Cb 0.00 -2.49 0.01 0.00 -1.68 0.00 0.00 37.83 33.68 3lqj s LYS 1574CO 0.00 0.12 1.07 0.00 -0.76 0.00 0.00 175.35 175.77 3lqj s TYR 1576N -3.14 0.12 -0.20 0.00 -0.85 -0.64 -4.85 117.35 107.79 3lqj s TYR 1576Ca 0.58 -0.26 -0.18 0.00 -0.52 0.00 0.00 57.07 56.69 3lqj s TYR 1576Cb -0.13 -0.10 -0.03 0.00 0.38 0.00 0.00 41.96 42.08 3lqj s TYR 1576CO 0.54 -0.24 0.49 -0.51 -1.52 0.00 0.00 175.55 174.31 3lqj s ASP 1577N -1.34 6.53 0.45 -0.18 1.01 -1.26 -4.70 116.67 117.17 3lqj s ASP 1577Ca -0.14 0.63 0.22 0.00 0.71 0.00 0.00 52.55 53.96 3lqj s ASP 1577Cb -0.08 -2.28 1.20 0.00 1.01 0.00 0.00 42.92 42.77 3lqj s ASP 1577CO 0.01 -0.16 1.84 0.44 0.21 0.00 0.00 175.17 177.51 3lqj h ASP 1578N 7.46 0.30 -0.30 0.27 3.32 -2.01 0.76 116.42 126.23 3lqj h ASP 1578Ca -0.34 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3lqj h ASP 1578Cb 1.16 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3lqj h ASP 1578CO 0.73 0.10 0.00 0.47 -1.72 0.00 0.00 179.24 178.82 3lqj n ASP 1579N -4.46 2.82 -4.47 6.45 8.00 -1.26 -4.81 116.55 118.82 3lqj n ASP 1579Ca 0.21 -1.90 -0.43 0.00 0.71 0.00 0.00 54.79 53.37 3lqj n ASP 1579Cb 0.82 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 41.70 3lqj n ASP 1579CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3lqj s ASP 1580N -1.54 6.50 -0.09 -2.24 2.15 0.26 -4.86 116.67 116.86 3lqj s ASP 1580Ca 0.36 -1.70 0.09 0.00 0.43 0.00 0.00 52.55 51.73 3lqj s ASP 1580Cb 0.21 -2.43 0.42 0.00 -0.30 0.00 0.00 42.92 40.81 3lqj s ASP 1580CO 0.30 -1.23 1.21 -1.22 -0.17 0.00 0.00 175.17 174.06 3lqj n TYR 1581N 7.23 0.95 1.17 -5.34 4.02 -1.26 -3.10 117.16 120.82 3lqj n TYR 1581Ca 0.19 -0.35 0.12 0.00 -0.01 0.00 0.00 57.90 57.85 3lqj n TYR 1581Cb 0.49 -0.22 0.23 0.00 -0.02 0.00 0.00 39.34 39.81 3lqj n TYR 1581CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3lqj n GLU 1582N 0.44 1.59 -2.20 -0.72 1.02 -1.26 -4.92 120.64 114.59 3lqj n GLU 1582Ca 0.15 -1.18 -0.37 0.00 -0.02 0.00 0.00 57.16 55.74 3lqj n GLU 1582Cb 0.63 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.58 3lqj n GLU 1582CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3lqj s SER 1583N -2.22 6.00 -0.60 1.62 0.01 -1.18 -4.99 113.70 112.33 3lqj s SER 1583Ca 0.27 2.34 -0.03 0.00 1.31 0.00 0.00 55.95 59.84 3lqj s SER 1583Cb 0.20 -2.60 0.16 0.00 0.21 0.00 0.00 66.02 63.98 3lqj s SER 1583CO 0.42 -1.04 0.42 -0.54 0.41 0.00 0.00 173.24 172.91 3lqj s LYS 1584N -2.81 2.53 0.03 12.44 1.02 -1.26 -5.04 119.74 126.65 3lqj s LYS 1584Ca 0.66 -2.43 -0.01 0.00 0.02 0.00 0.00 55.97 54.21 3lqj s LYS 1584Cb -0.29 -3.74 -0.03 0.00 -0.52 0.00 0.00 37.83 33.25 3lqj s LYS 1584CO 0.35 -1.17 -0.01 -1.64 -0.92 0.00 0.00 175.35 171.97 3lqj s MET 1585N 0.12 0.46 0.00 1.68 -1.94 -1.26 -1.07 119.30 117.30 3lqj s MET 1585Ca 0.16 -0.84 0.06 0.00 -1.71 0.00 0.00 55.69 53.35 3lqj s MET 1585Cb -0.20 0.17 -0.03 0.00 2.01 0.00 0.00 34.83 36.77 3lqj s MET 1585CO -0.04 -0.09 -0.18 -1.64 -0.01 0.00 0.00 175.02 173.07 3lqj s MET 1586N -2.51 2.22 -0.27 2.03 -1.94 -0.10 -4.90 119.30 113.83 3lqj s MET 1586Ca -0.06 -0.88 -0.10 0.00 -1.71 0.00 0.00 55.69 52.94 3lqj s MET 1586Cb -0.02 -2.23 -0.05 0.00 2.01 0.00 0.00 34.83 34.54 3lqj s MET 1586CO -0.05 0.57 0.16 -1.14 -0.01 0.00 0.00 175.02 174.55 3lqj s GLN 1587N -1.10 3.90 0.23 2.03 0.74 -1.26 -0.93 119.66 123.27 3lqj s GLN 1587Ca 0.13 -0.35 -0.31 0.00 0.05 0.00 0.00 55.36 54.88 3lqj s GLN 1587Cb -0.10 -3.56 -0.12 0.00 1.10 0.00 0.00 33.01 30.33 3lqj s GLN 1587CO 0.03 -0.14 1.67 0.00 -0.55 0.00 0.00 175.29 176.30 3lqj h GLY 1589N 6.29 0.00 0.34 0.00 0.00 -1.52 -1.05 103.07 107.13 3lqj h GLY 1589Ca -0.44 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.55 3lqj h GLY 1589CO 0.91 0.00 -1.92 0.28 0.00 0.00 0.00 176.54 175.82 3lqj n LYS 1590N -3.34 0.69 0.00 4.80 5.02 -1.26 -4.60 118.16 119.46 3lqj n LYS 1590Ca -0.00 0.33 0.07 0.00 -2.02 0.00 0.00 58.31 56.68 3lqj n LYS 1590Cb 0.33 -1.68 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 3lqj n LYS 1590CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3lqj n ASP 1592N -0.64 -0.43 -4.78 0.00 8.00 -0.40 -5.00 116.55 113.29 3lqj n ASP 1592Ca 0.05 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.19 3lqj n ASP 1592Cb 0.28 -1.06 -0.03 0.00 -0.02 0.00 0.00 41.12 40.29 3lqj n ASP 1592CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3lqj s ARG 1593N -0.44 3.86 -0.13 -1.24 0.52 -1.26 -4.62 118.95 115.64 3lqj s ARG 1593Ca 0.00 1.53 -0.12 0.00 -0.52 0.00 0.00 55.73 56.62 3lqj s ARG 1593Cb 0.00 -2.29 -0.05 0.00 0.52 0.00 0.00 34.95 33.13 3lqj s ARG 1593CO 0.00 -0.41 0.25 -1.58 0.02 0.00 0.00 175.30 173.58 3lqj s TRP 1594N -1.76 3.54 0.02 -0.53 0.52 -1.26 -0.80 118.94 118.67 3lqj s TRP 1594Ca 0.64 0.61 0.06 0.00 0.02 0.00 0.00 56.10 57.44 3lqj s TRP 1594Cb -0.22 -2.21 -0.02 0.00 -1.15 0.00 0.00 33.47 29.88 3lqj s TRP 1594CO 0.26 0.44 -0.19 0.08 0.02 0.00 0.00 176.95 177.57 3lqj s VAL 1595N -0.20 1.52 0.34 4.03 1.01 -0.11 -4.33 120.40 122.67 3lqj s VAL 1595Ca 0.16 -1.03 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 3lqj s VAL 1595Cb -0.13 -1.31 -0.09 0.00 0.00 0.00 0.00 36.38 34.85 3lqj s VAL 1595CO 0.05 0.25 1.07 -1.00 0.00 0.00 0.00 175.10 175.47 3lqj s HIS 1596N -0.67 3.42 0.21 5.22 3.76 -1.26 -0.92 115.29 125.04 3lqj s HIS 1596Ca 0.07 1.67 -0.09 0.00 -0.15 0.00 0.00 55.06 56.56 3lqj s HIS 1596Cb -0.08 -3.20 0.15 0.00 1.11 0.00 0.00 32.58 30.56 3lqj s HIS 1596CO 0.01 -0.58 1.79 0.66 -0.85 0.00 0.00 174.74 175.77 3lqj h SER 1597N 3.12 1.01 0.62 1.40 4.64 -1.45 -1.42 113.55 121.47 3lqj h SER 1597Ca -0.47 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 60.66 3lqj h SER 1597Cb 1.21 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 3lqj h SER 1597CO 0.64 0.87 -0.21 0.07 -0.87 0.00 0.00 176.83 177.34 3lqj h LYS 1598N 1.08 0.00 0.00 4.77 2.10 -1.81 -1.63 116.57 121.09 3lqj h LYS 1598Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 3lqj h LYS 1598Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 3lqj h LYS 1598CO -0.03 0.21 0.00 0.00 -2.00 0.00 0.00 179.45 177.63 3lqj n GLU 1600N -2.61 3.48 -3.58 0.00 -0.58 -0.91 -4.94 120.64 111.51 3lqj n GLU 1600Ca 0.03 -2.82 -0.24 0.00 -0.42 0.00 0.00 57.16 53.71 3lqj n GLU 1600Cb 0.35 -1.82 0.08 0.00 -0.57 0.00 0.00 31.44 29.48 3lqj n GLU 1600CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3lqj n ASN 1601N 1.29 -6.40 -4.73 1.62 3.02 -0.46 -5.00 115.26 104.61 3lqj n ASN 1601Ca 0.26 -0.53 -0.35 0.00 -0.03 0.00 0.00 54.58 53.92 3lqj n ASN 1601Cb 0.83 -5.04 -0.09 0.00 -0.61 0.00 0.00 39.78 34.87 3lqj n ASN 1601CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3lqj s LEU 1602N -7.30 3.83 0.85 3.41 1.43 -0.66 -5.01 118.68 115.23 3lqj s LEU 1602Ca 0.58 0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 53.77 3lqj s LEU 1602Cb -0.26 -1.91 0.11 0.00 0.03 0.00 0.00 46.19 44.17 3lqj s LEU 1602CO 0.72 0.36 1.21 -0.94 0.23 0.00 0.00 176.35 177.92 3lqj s SER 1603N -0.73 4.13 0.24 2.29 1.04 -1.26 -4.14 113.70 115.27 3lqj s SER 1603Ca 0.12 0.67 -0.05 0.00 0.48 0.00 0.00 55.95 57.17 3lqj s SER 1603Cb -0.12 -1.06 0.25 0.00 0.10 0.00 0.00 66.02 65.20 3lqj s SER 1603CO 0.02 -2.13 1.76 0.44 0.98 0.00 0.00 173.24 174.31 3lqj h ASP 1604N -1.22 0.91 -0.40 7.02 3.32 -1.99 -1.64 116.42 122.43 3lqj h ASP 1604Ca -0.46 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 56.44 3lqj h ASP 1604Cb 1.31 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 3lqj h ASP 1604CO 0.59 0.91 0.16 -0.33 -1.72 0.00 0.00 179.24 178.85 3lqj h GLU 1605N 0.91 0.33 -0.40 3.56 5.08 -2.00 -0.90 114.58 121.16 3lqj h GLU 1605Ca 0.19 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 3lqj h GLU 1605Cb 0.38 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3lqj h GLU 1605CO 0.01 0.22 -0.05 0.52 -1.00 0.00 0.00 179.01 178.71 3lqj h MET 1606N 0.34 0.67 -0.71 2.33 2.86 -1.86 -1.60 114.93 116.95 3lqj h MET 1606Ca 0.18 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3lqj h MET 1606Cb 0.13 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 3lqj h MET 1606CO -0.16 0.72 0.39 -0.92 1.06 0.00 0.00 176.91 177.99 3lqj h TYR 1607N 0.62 0.98 -0.77 -0.22 3.20 -0.63 0.33 116.97 120.49 3lqj h TYR 1607Ca 0.12 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 3lqj h TYR 1607Cb 0.46 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 3lqj h TYR 1607CO 0.02 0.70 0.29 0.93 -1.64 0.00 0.00 178.16 178.46 3lqj h GLU 1608N 0.98 1.16 -0.20 1.82 4.39 -0.73 -0.55 114.58 121.45 3lqj h GLU 1608Ca 0.25 -0.22 -0.21 0.00 0.34 0.00 0.00 59.36 59.53 3lqj h GLU 1608Cb 0.04 -0.19 0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3lqj h GLU 1608CO -0.04 0.95 -0.69 0.82 -1.16 0.00 0.00 179.01 178.90 3lqj h ILE 1609N 1.13 1.28 -0.91 3.13 2.04 -0.71 -2.88 117.51 120.59 3lqj h ILE 1609Ca 0.26 -1.88 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 3lqj h ILE 1609Cb 0.23 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 3lqj h ILE 1609CO -0.02 0.60 0.55 0.25 0.00 0.00 0.00 178.15 179.53 3lqj h LEU 1610N 0.58 1.10 -2.64 1.44 5.85 -0.12 0.38 115.31 121.90 3lqj h LEU 1610Ca -0.03 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3lqj h LEU 1610Cb 1.30 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 3lqj h LEU 1610CO 0.14 0.85 -0.00 0.28 -0.34 0.00 0.00 178.44 179.37 3lqj h SER 1611N 1.26 0.00 0.38 1.25 0.02 -0.96 -2.34 113.55 113.16 3lqj h SER 1611Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3lqj h SER 1611Cb -0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3lqj h SER 1611CO -0.06 0.00 -0.92 0.59 -1.14 0.00 0.00 176.83 175.31 3lqj n ASN 1612N -3.10 0.64 -4.66 3.07 4.13 0.08 -4.97 115.26 110.45 3lqj n ASN 1612Ca -0.02 -0.33 -0.32 0.00 1.68 0.00 0.00 54.58 55.59 3lqj n ASN 1612Cb 0.12 0.71 0.16 0.00 -1.54 0.00 0.00 39.78 39.24 3lqj n ASN 1612CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3lqj n LEU 1613N -1.80 3.33 -4.76 3.41 4.77 -0.88 -4.94 117.00 116.13 3lqj n LEU 1613Ca 0.03 0.45 -0.35 0.00 -0.03 0.00 0.00 56.01 56.10 3lqj n LEU 1613Cb 0.40 -1.47 0.03 0.00 -2.33 0.00 0.00 43.42 40.05 3lqj n LEU 1613CO 0.40 -2.16 0.82 -2.84 -1.33 0.00 0.00 177.39 172.27 3lqj s PRO 1614N -4.47 3.01 0.64 3.23 0.02 -1.26 -4.88 135.00 131.29 3lqj s PRO 1614Ca 0.68 1.74 0.35 0.00 0.02 0.00 0.00 61.00 63.79 3lqj s PRO 1614Cb -0.24 -1.94 1.93 0.00 0.02 0.00 0.00 34.50 34.27 3lqj s PRO 1614CO 0.57 -1.16 2.15 1.49 -0.33 0.00 0.00 177.00 179.73 3lqj h GLU 1615N 0.84 0.00 0.00 5.54 4.81 -1.98 0.09 114.58 123.89 3lqj h GLU 1615Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3lqj h GLU 1615Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3lqj h GLU 1615CO 0.55 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.49 3lqj h SER 1616N 0.00 0.00 -3.33 1.04 4.64 -2.03 -3.37 113.55 110.50 3lqj h SER 1616Ca 0.03 0.00 -0.74 0.00 -0.47 0.00 0.00 61.79 60.61 3lqj h SER 1616Cb 0.36 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.17 3lqj h SER 1616CO -0.00 0.00 -0.27 -0.69 -0.87 0.00 0.00 176.83 175.00 3lqj s VAL 1617N -3.38 4.71 0.36 0.95 1.01 0.02 -5.07 120.40 119.01 3lqj s VAL 1617Ca 0.04 -1.83 -0.05 0.00 0.00 0.00 0.00 61.98 60.15 3lqj s VAL 1617Cb 0.09 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 3lqj s VAL 1617CO 0.47 -0.85 0.64 0.00 0.00 0.00 0.00 175.10 175.36 3lqj s ALA 1618N 1.23 3.55 0.15 5.51 0.00 -1.26 -4.76 121.76 126.17 3lqj s ALA 1618Ca 0.07 -0.57 -0.18 0.00 0.00 0.00 0.00 51.96 51.28 3lqj s ALA 1618Cb -0.25 -2.39 -0.07 0.00 0.00 0.00 0.00 23.12 20.41 3lqj s ALA 1618CO -0.01 0.01 0.62 -0.47 0.00 0.00 0.00 175.76 175.91 3lqj s TYR 1619N -2.33 3.69 -0.03 0.00 5.04 -1.26 -4.42 117.35 118.04 3lqj s TYR 1619Ca 0.45 1.25 0.00 0.00 -2.44 0.00 0.00 57.07 56.33 3lqj s TYR 1619Cb -0.10 -2.50 0.03 0.00 0.35 0.00 0.00 41.96 39.74 3lqj s TYR 1619CO 0.35 0.45 0.01 0.95 -1.34 0.00 0.00 175.55 175.97 3lqj s THR 1620N -1.37 0.14 0.94 4.34 -4.23 -1.26 -1.24 115.64 112.96 3lqj s THR 1620Ca 0.37 0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.87 3lqj s THR 1620Cb -0.17 -0.25 0.15 0.00 1.34 0.00 0.00 72.50 73.57 3lqj s THR 1620CO 0.20 0.14 1.09 0.00 -0.54 0.00 0.00 174.62 175.51 3lqj h VAL 1622N -1.73 1.21 -0.22 0.00 3.04 -2.01 -2.68 116.25 113.86 3lqj h VAL 1622Ca -0.51 -0.50 -0.06 0.00 -1.01 0.00 0.00 66.70 64.62 3lqj h VAL 1622Cb 1.29 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 3lqj h VAL 1622CO 0.54 0.23 -0.11 0.78 -1.01 0.00 0.00 177.57 177.99 3lqj h ASN 1623N 1.00 0.34 -0.40 3.17 -0.26 -2.03 -2.40 115.58 115.01 3lqj h ASN 1623Ca 0.26 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 3lqj h ASN 1623Cb -0.00 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.17 3lqj h ASN 1623CO -0.04 0.49 0.00 0.00 -1.06 0.00 0.00 177.43 176.82 3lqj s THR 1625N -1.64 4.46 0.00 0.00 2.01 -0.90 -4.89 115.64 114.67 3lqj s THR 1625Ca 0.30 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.97 3lqj s THR 1625Cb 0.18 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.50 3lqj s THR 1625CO 0.16 0.18 0.97 -0.62 -0.69 0.00 0.00 174.62 174.62 3lqj n GLU 1626N 4.95 0.00 -4.42 4.92 4.71 -1.26 -4.76 120.64 124.79 3lqj n GLU 1626Ca -0.15 0.51 -0.22 0.00 -0.01 0.00 0.00 57.16 57.29 3lqj n GLU 1626Cb 0.50 -1.47 -0.16 0.00 -1.01 0.00 0.00 31.44 29.30 3lqj n GLU 1626CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 3lqj s ARG 1627N -2.89 1.27 0.65 3.49 3.00 -1.26 -5.14 118.95 118.08 3lqj s ARG 1627Ca 0.00 -0.29 -0.12 0.00 -1.00 0.00 0.00 55.73 54.32 3lqj s ARG 1627Cb 0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 34.95 33.81 3lqj s ARG 1627CO 0.00 0.01 1.05 -1.01 0.00 0.00 0.00 175.30 175.35 3lqj s HIS 1628N 0.64 3.25 0.33 5.12 3.76 -1.26 -4.46 115.29 122.67 3lqj s HIS 1628Ca -0.11 1.40 -0.24 0.00 -0.15 0.00 0.00 55.06 55.96 3lqj s HIS 1628Cb -0.14 -2.85 -0.10 0.00 1.11 0.00 0.00 32.58 30.60 3lqj s HIS 1628CO 0.02 -1.03 0.91 -1.25 -0.85 0.00 0.00 174.74 172.55 3lqj s PRO 1629N -4.90 4.46 0.37 8.40 0.04 -1.26 -5.10 135.00 137.01 3lqj s PRO 1629Ca 0.58 1.22 -0.26 0.00 0.04 0.00 0.00 61.00 62.58 3lqj s PRO 1629Cb -0.13 -2.68 -0.12 0.00 0.04 0.00 0.00 34.50 31.61 3lqj s PRO 1629CO 0.51 0.23 1.06 0.00 0.04 0.00 0.00 177.00 178.84 3lqj n ALA 1630N 0.33 0.28 -0.05 8.56 0.00 -1.26 -4.84 120.51 123.53 3lqj n ALA 1630Ca 0.02 0.30 0.16 0.00 0.00 0.00 0.00 53.44 53.92 3lqj n ALA 1630Cb 0.51 -2.10 0.59 0.00 0.00 0.00 0.00 19.45 18.45 3lqj n ALA 1630CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3lqj h GLU 1631N 1.85 0.21 0.00 0.00 4.11 -1.92 -2.17 114.58 116.66 3lqj h GLU 1631Ca -0.43 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 58.96 3lqj h GLU 1631Cb 1.33 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 3lqj h GLU 1631CO 0.59 0.14 -0.09 0.11 0.07 0.00 0.00 179.01 179.83 3lqj h TRP 1632N 0.22 0.00 -0.25 2.06 5.08 -1.89 -2.66 115.95 118.51 3lqj h TRP 1632Ca 0.27 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.22 3lqj h TRP 1632Cb 0.78 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.93 3lqj h TRP 1632CO -0.00 0.09 0.05 0.00 -1.28 0.00 0.00 178.44 177.30 3lqj h ARG 1633N 0.00 0.41 -0.61 0.12 3.08 -1.74 0.18 114.38 115.82 3lqj h ARG 1633Ca -0.00 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 3lqj h ARG 1633Cb 0.19 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3lqj h ARG 1633CO 0.01 0.53 0.04 1.25 -1.07 0.00 0.00 179.97 180.72 3lqj h LEU 1634N 0.22 1.03 -0.89 3.04 5.85 -1.67 -2.17 115.31 120.73 3lqj h LEU 1634Ca 0.08 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3lqj h LEU 1634Cb 0.31 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3lqj h LEU 1634CO 0.00 1.07 0.55 0.00 -0.34 0.00 0.00 178.44 179.72 3lqj h ALA 1635N 1.00 1.13 -0.43 1.25 0.00 -1.29 -1.49 119.26 119.43 3lqj h ALA 1635Ca 0.18 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3lqj h ALA 1635Cb 0.52 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3lqj h ALA 1635CO 0.02 0.57 -0.08 1.25 0.00 0.00 0.00 179.25 181.01 3lqj h LEU 1636N 1.21 0.82 -0.14 0.00 5.85 -0.77 -0.87 115.31 121.42 3lqj h LEU 1636Ca 0.32 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3lqj h LEU 1636Cb -0.08 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 3lqj h LEU 1636CO -0.06 0.98 0.07 -0.08 -0.34 0.00 0.00 178.44 179.01 3lqj h GLU 1637N 0.65 0.20 -0.56 1.25 4.22 -1.11 -2.82 114.58 116.40 3lqj h GLU 1637Ca 0.11 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.46 3lqj h GLU 1637Cb 0.61 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3lqj h GLU 1637CO 0.04 0.23 0.09 0.87 -2.18 0.00 0.00 179.01 178.06 3lqj h LYS 1638N 0.11 0.90 -0.81 1.92 1.57 -1.22 -2.99 116.57 116.05 3lqj h LYS 1638Ca 0.05 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.64 3lqj h LYS 1638Cb 0.10 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 3lqj h LYS 1638CO -0.01 0.84 0.52 1.49 -0.57 0.00 0.00 179.45 181.72 3lqj h GLU 1639N 0.86 0.97 0.47 3.15 4.57 -1.00 0.12 114.58 123.72 3lqj h GLU 1639Ca 0.18 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 3lqj h GLU 1639Cb 0.38 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 3lqj h GLU 1639CO 0.01 0.64 -0.23 1.25 -1.18 0.00 0.00 179.01 179.50 3lqj h LEU 1640N 1.00 -0.54 -0.85 1.64 5.85 -1.36 -0.97 115.31 120.08 3lqj h LEU 1640Ca 0.32 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.07 3lqj h LEU 1640Cb 0.02 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3lqj h LEU 1640CO -0.12 -0.30 0.52 1.56 -0.34 0.00 0.00 178.44 179.77 3lqj h GLN 1641N -0.76 0.93 0.23 1.25 1.08 -1.41 0.40 115.11 116.83 3lqj h GLN 1641Ca -0.06 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 3lqj h GLN 1641Cb 0.54 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 3lqj h GLN 1641CO 0.11 0.61 -0.18 0.82 -0.95 0.00 0.00 178.83 179.24 3lqj h ILE 1642N 0.95 0.62 -0.69 2.54 2.04 -0.65 0.71 117.51 123.04 3lqj h ILE 1642Ca 0.37 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.24 3lqj h ILE 1642Cb 0.18 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3lqj h ILE 1642CO -0.17 0.00 0.45 0.28 0.00 0.00 0.00 178.15 178.71 3lqj h SER 1643N -0.41 0.78 -0.06 1.72 0.02 -0.68 0.49 113.55 115.41 3lqj h SER 1643Ca -0.01 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3lqj h SER 1643Cb 0.36 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 3lqj h SER 1643CO -0.01 0.56 0.03 -0.07 -1.14 0.00 0.00 176.83 176.20 3lqj h LEU 1644N 0.92 0.07 -1.60 5.07 3.38 -0.68 -2.08 115.31 120.38 3lqj h LEU 1644Ca 0.26 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.25 3lqj h LEU 1644Cb -0.09 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3lqj h LEU 1644CO -0.06 0.10 0.37 0.11 0.09 0.00 0.00 178.44 179.04 3lqj h LYS 1645N 0.04 0.47 -0.43 1.13 1.79 -0.43 -1.50 116.57 117.64 3lqj h LYS 1645Ca 0.02 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 3lqj h LYS 1645Cb 0.04 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 3lqj h LYS 1645CO -0.00 0.31 0.17 0.37 -1.08 0.00 0.00 179.45 179.22 3lqj h GLN 1646N 0.48 0.64 -0.31 3.15 4.15 -0.24 0.49 115.11 123.47 3lqj h GLN 1646Ca 0.24 -0.11 -0.09 0.00 0.77 0.00 0.00 58.65 59.46 3lqj h GLN 1646Cb 0.35 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3lqj h GLN 1646CO -0.07 0.59 -0.17 0.28 -1.93 0.00 0.00 178.83 177.53 3lqj h VAL 1647N 0.55 1.29 -0.15 2.39 2.07 -0.89 -2.76 116.25 118.75 3lqj h VAL 1647Ca 0.14 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 3lqj h VAL 1647Cb 0.18 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3lqj h VAL 1647CO -0.01 0.42 0.03 0.25 0.02 0.00 0.00 177.57 178.28 3lqj h LEU 1648N 0.42 0.23 -2.16 2.57 5.85 -1.19 -1.53 115.31 119.51 3lqj h LEU 1648Ca 0.07 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3lqj h LEU 1648Cb 0.71 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 3lqj h LEU 1648CO 0.05 0.41 -0.03 0.71 -0.34 0.00 0.00 178.44 179.24 3lqj h THR 1649N 0.05 0.77 0.18 1.05 1.35 -0.94 -0.90 112.91 114.46 3lqj h THR 1649Ca 0.05 -0.12 -0.24 0.00 -0.55 0.00 0.00 66.41 65.55 3lqj h THR 1649Cb 0.27 1.07 0.03 0.00 -1.73 0.00 0.00 68.15 67.79 3lqj h THR 1649CO 0.00 0.03 -1.05 0.00 -0.25 0.00 0.00 175.52 174.25 3lqj h ALA 1650N 1.97 -0.10 0.09 6.62 0.00 -1.28 -3.27 119.26 123.28 3lqj h ALA 1650Ca -0.00 -0.77 0.01 0.00 0.00 0.00 0.00 54.91 54.15 3lqj h ALA 1650Cb 0.07 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3lqj h ALA 1650CO 0.00 0.49 -0.12 -0.07 0.00 0.00 0.00 179.25 179.56 3lqj h LEU 1651N -0.21 -0.34 0.00 0.00 3.38 -0.81 -1.52 115.31 115.81 3lqj h LEU 1651Ca -0.19 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3lqj h LEU 1651Cb 1.81 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.69 3lqj h LEU 1651CO 0.19 -0.19 0.09 0.18 0.09 0.00 0.00 178.44 178.80 3lqj n LEU 1652N -5.25 0.00 -0.03 1.67 4.77 -0.38 -1.60 117.00 116.18 3lqj n LEU 1652Ca -0.07 0.39 0.02 0.00 -0.03 0.00 0.00 56.01 56.33 3lqj n LEU 1652Cb 0.17 -0.39 -0.12 0.00 -2.33 0.00 0.00 43.42 40.74 3lqj n LEU 1652CO 0.30 -0.39 -0.80 0.59 -1.33 0.00 0.00 177.39 175.75 3lqj n ASN 1653N -1.39 1.25 -4.76 -1.43 3.02 -0.60 -4.94 115.26 106.41 3lqj n ASN 1653Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 3lqj n ASN 1653Cb 0.09 1.43 -0.04 0.00 -0.61 0.00 0.00 39.78 40.65 3lqj n ASN 1653CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3lqj s SER 1654N -4.25 7.28 0.55 6.41 1.04 -0.63 -4.88 113.70 119.23 3lqj s SER 1654Ca -0.07 2.25 0.36 0.00 0.48 0.00 0.00 55.95 58.97 3lqj s SER 1654Cb 0.08 -2.62 1.72 0.00 0.10 0.00 0.00 66.02 65.30 3lqj s SER 1654CO 0.66 -0.14 2.08 0.03 0.98 0.00 0.00 173.24 176.85 3lqj h ARG 1655N 3.93 0.00 0.00 4.02 2.47 -1.92 -2.74 114.38 120.14 3lqj h ARG 1655Ca -0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 3lqj h ARG 1655Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 3lqj h ARG 1655CO 0.67 0.00 0.02 1.79 0.56 0.00 0.00 179.97 183.01 3lqj h THR 1656N 0.00 0.00 -0.01 2.04 1.35 -1.89 -1.01 112.91 113.38 3lqj h THR 1656Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3lqj h THR 1656Cb 0.26 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 3lqj h THR 1656CO 0.00 0.00 -0.12 0.35 -0.25 0.00 0.00 175.52 175.50 3lqj n THR 1657N -2.46 0.00 -0.43 6.82 -2.24 -1.03 -4.58 114.28 110.36 3lqj n THR 1657Ca -0.02 -0.44 0.37 0.00 -2.27 0.00 0.00 64.05 61.70 3lqj n THR 1657Cb 0.06 1.23 0.71 0.00 -2.10 0.00 0.00 70.33 70.23 3lqj n THR 1657CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3lqj h SER 1658N 2.18 0.12 -0.11 3.42 4.64 -1.33 0.64 113.55 123.12 3lqj h SER 1658Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3lqj h SER 1658Cb 0.52 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3lqj h SER 1658CO 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 3lqj n HIS 1659N -4.30 0.13 0.07 4.77 1.44 -1.26 -3.77 115.22 112.30 3lqj n HIS 1659Ca 0.32 -0.07 0.02 0.00 -2.01 0.00 0.00 57.72 55.98 3lqj n HIS 1659Cb 1.38 0.00 0.04 0.00 0.12 0.00 0.00 29.99 31.53 3lqj n HIS 1659CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3lqj n LEU 1660N 0.37 1.80 -0.05 2.39 4.77 0.22 -4.69 117.00 121.81 3lqj n LEU 1660Ca 0.17 -1.45 -0.12 0.00 -0.03 0.00 0.00 56.01 54.58 3lqj n LEU 1660Cb 0.37 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 3lqj n LEU 1660CO 0.15 0.43 0.69 -0.07 -1.33 0.00 0.00 177.39 177.25 3lqj h LEU 1661N 0.79 0.28 -7.75 2.23 3.38 -1.60 -0.03 115.31 112.61 3lqj h LEU 1661Ca 0.00 -0.39 -0.57 0.00 0.09 0.00 0.00 57.88 57.01 3lqj h LEU 1661Cb 0.36 -0.08 -0.37 0.00 0.09 0.00 0.00 40.66 40.66 3lqj h LEU 1661CO 0.00 0.61 -0.81 -0.13 0.09 0.00 0.00 178.44 178.19 3lqj s ARG 1662N -4.66 1.81 0.00 1.13 0.52 -1.26 -2.30 118.95 114.18 3lqj s ARG 1662Ca -0.14 -0.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 3lqj s ARG 1662Cb 0.05 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.57 3lqj s ARG 1662CO 0.73 -0.31 0.00 0.98 0.02 0.00 0.00 175.30 176.71 3lqj n TYR 1663N 4.84 0.00 -1.63 -0.53 -0.00 -1.26 -5.03 117.16 113.55 3lqj n TYR 1663Ca -0.14 0.00 -0.51 0.00 -0.00 0.00 0.00 57.90 57.25 3lqj n TYR 1663Cb 0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.78 3lqj n TYR 1663CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.86 177.80 3lqj n GLN 1703N 0.00 1.49 -3.94 2.98 7.27 -1.26 -5.10 117.38 118.82 3lqj n GLN 1703Ca 0.00 0.54 -0.30 0.00 0.07 0.00 0.00 57.00 57.31 3lqj n GLN 1703Cb 0.00 -2.23 -0.14 0.00 2.41 0.00 0.00 30.24 30.28 3lqj n GLN 1703CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 3lqj s GLN 1704N 1.09 1.97 0.20 3.69 -1.52 -1.26 -5.10 119.66 118.74 3lqj s GLN 1704Ca 0.85 -2.62 -0.32 0.00 -1.95 0.00 0.00 55.36 51.32 3lqj s GLN 1704Cb -0.87 -3.28 -0.15 0.00 -0.22 0.00 0.00 33.01 28.48 3lqj s GLN 1704CO 0.46 -1.12 1.18 -2.30 -0.25 0.00 0.00 175.29 173.26 3lqj n PRO 1705N 3.09 1.35 -0.00 2.91 -0.02 -1.26 -4.91 135.00 136.15 3lqj n PRO 1705Ca 0.06 0.48 0.10 0.00 -2.02 0.00 0.00 63.50 62.12 3lqj n PRO 1705Cb 0.32 -1.98 -0.11 0.00 -0.02 0.00 0.00 33.50 31.71 3lqj n PRO 1705CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3lqj n LEU 1706N 1.91 0.63 -3.88 2.45 4.77 -1.26 -4.77 117.00 116.84 3lqj n LEU 1706Ca 0.13 -0.28 -0.09 0.00 -0.03 0.00 0.00 56.01 55.74 3lqj n LEU 1706Cb 0.27 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 3lqj n LEU 1706CO 0.61 0.14 0.13 1.51 -1.33 0.00 0.00 177.39 178.46 3lqj s ASP 1707N -3.59 -0.10 0.58 -1.43 1.47 -1.26 -4.60 116.67 107.74 3lqj s ASP 1707Ca 0.02 -0.73 0.28 0.00 1.18 0.00 0.00 52.55 53.30 3lqj s ASP 1707Cb 0.15 0.52 1.75 0.00 -0.34 0.00 0.00 42.92 45.01 3lqj s ASP 1707CO 0.87 -1.00 2.24 -0.07 0.68 0.00 0.00 175.17 177.89 3lqj h LEU 1708N 2.35 0.00 -0.65 2.11 4.07 -1.09 0.37 115.31 122.48 3lqj h LEU 1708Ca -0.29 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.61 3lqj h LEU 1708Cb 1.25 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.96 3lqj h LEU 1708CO 0.41 0.00 0.18 -0.33 -1.08 0.00 0.00 178.44 177.62 3lqj h GLU 1709N 0.00 1.02 -0.32 1.13 5.08 -1.68 -0.57 114.58 119.24 3lqj h GLU 1709Ca -0.00 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.02 3lqj h GLU 1709Cb 0.00 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3lqj h GLU 1709CO 0.00 0.91 -0.25 0.78 -1.00 0.00 0.00 179.01 179.45 3lqj h GLY 1710N 0.95 0.69 1.03 -3.84 0.00 -1.21 -2.58 103.07 98.11 3lqj h GLY 1710Ca 0.21 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 3lqj h GLY 1710CO -0.00 0.53 0.12 -2.08 0.00 0.00 0.00 176.54 175.11 3lqj h VAL 1711N 0.55 1.26 -0.69 4.60 2.07 -0.92 -2.06 116.25 121.06 3lqj h VAL 1711Ca 0.08 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3lqj h VAL 1711Cb 0.72 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3lqj h VAL 1711CO 0.06 0.36 0.38 0.50 0.02 0.00 0.00 177.57 178.89 3lqj h LYS 1712N 0.90 0.96 -0.39 1.57 3.64 -0.91 -0.22 116.57 122.12 3lqj h LYS 1712Ca 0.19 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3lqj h LYS 1712Cb 0.39 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3lqj h LYS 1712CO 0.01 0.72 0.07 0.00 -2.27 0.00 0.00 179.45 177.97 3lqj h ARG 1713N 0.95 0.64 -0.90 1.90 3.08 -1.26 0.25 114.38 119.03 3lqj h ARG 1713Ca 0.24 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.13 3lqj h ARG 1713Cb 0.03 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 3lqj h ARG 1713CO -0.04 0.69 0.59 -0.22 -1.07 0.00 0.00 179.97 179.92 3lqj h LYS 1714N 0.49 1.19 -0.06 0.04 3.64 -1.12 -1.57 116.57 119.19 3lqj h LYS 1714Ca 0.12 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3lqj h LYS 1714Cb 0.36 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3lqj h LYS 1714CO 0.01 0.79 -0.18 1.98 -2.27 0.00 0.00 179.45 179.78 3lqj h MET 1715N 1.22 0.22 -0.37 1.90 4.05 -0.72 -1.06 114.93 120.16 3lqj h MET 1715Ca 0.33 -0.16 0.11 0.00 -0.28 0.00 0.00 59.70 59.70 3lqj h MET 1715Cb -0.13 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.68 3lqj h MET 1715CO -0.07 0.78 0.27 -0.44 0.23 0.00 0.00 176.91 177.68 3lqj h ASP 1716N -0.31 0.00 0.71 1.39 3.32 -0.33 0.87 116.42 122.07 3lqj h ASP 1716Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3lqj h ASP 1716Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3lqj h ASP 1716CO 0.04 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 3lqj n GLN 1717N -4.42 0.14 -2.27 3.56 6.02 -0.61 -4.89 117.38 114.91 3lqj n GLN 1717Ca 0.06 0.06 -0.07 0.00 -0.01 0.00 0.00 57.00 57.05 3lqj n GLN 1717Cb 0.45 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.22 3lqj n GLN 1717CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3lqj n GLY 1718N 1.00 0.19 0.59 1.08 0.00 0.30 -4.95 105.19 103.40 3lqj n GLY 1718Ca 0.08 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.65 3lqj n GLY 1718CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3lqj n ASN 1719N 0.64 1.80 -4.56 1.61 5.03 -0.41 -4.77 115.26 114.61 3lqj n ASN 1719Ca -0.06 -1.66 -0.40 0.00 0.87 0.00 0.00 54.58 53.33 3lqj n ASN 1719Cb 0.55 -0.06 -0.10 0.00 -1.02 0.00 0.00 39.78 39.14 3lqj n ASN 1719CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3lqj s TYR 1720N -1.87 3.22 -1.57 3.10 2.02 -1.26 -4.92 117.35 116.07 3lqj s TYR 1720Ca 0.35 -0.00 0.13 0.00 -0.37 0.00 0.00 57.07 57.18 3lqj s TYR 1720Cb 0.19 -2.51 0.17 0.00 -0.40 0.00 0.00 41.96 39.41 3lqj s TYR 1720CO 0.30 -0.31 1.01 0.25 -1.57 0.00 0.00 175.55 175.24 3lqj n THR 1721N 5.13 0.22 -3.75 -0.71 -2.24 -1.26 -4.96 114.28 106.71 3lqj n THR 1721Ca -0.12 -0.61 -0.10 0.00 -2.27 0.00 0.00 64.05 60.95 3lqj n THR 1721Cb 0.50 1.11 -0.05 0.00 -2.10 0.00 0.00 70.33 69.80 3lqj n THR 1721CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3lqj s SER 1722N -1.10 -0.18 0.07 3.42 1.04 -1.26 -5.05 113.70 110.64 3lqj s SER 1722Ca 0.19 -0.51 -0.14 0.00 0.48 0.00 0.00 55.95 55.97 3lqj s SER 1722Cb 0.12 0.51 -0.24 0.00 0.10 0.00 0.00 66.02 66.51 3lqj s SER 1722CO 0.17 -0.95 1.18 0.58 0.98 0.00 0.00 173.24 175.20 3lqj h VAL 1723N 2.33 1.28 -0.68 5.02 2.07 -1.98 -3.18 116.25 121.12 3lqj h VAL 1723Ca -0.31 -2.26 0.09 0.00 0.82 0.00 0.00 66.70 65.04 3lqj h VAL 1723Cb 1.25 2.42 -0.07 0.00 -1.52 0.00 0.00 31.29 33.38 3lqj h VAL 1723CO 0.43 0.70 0.34 0.25 0.02 0.00 0.00 177.57 179.30 3lqj h LEU 1724N 0.36 0.44 -0.53 2.57 5.85 -1.99 0.13 115.31 122.14 3lqj h LEU 1724Ca -0.13 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 3lqj h LEU 1724Cb 1.71 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.70 3lqj h LEU 1724CO 0.21 0.26 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.44 3lqj h GLU 1725N 0.58 0.97 0.05 1.25 4.81 -1.98 -0.61 114.58 119.65 3lqj h GLU 1725Ca 0.33 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3lqj h GLU 1725Cb 0.34 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3lqj h GLU 1725CO -0.26 1.00 -0.02 0.35 -0.73 0.00 0.00 179.01 179.35 3lqj h PHE 1726N 0.84 -0.06 -0.08 0.92 3.57 -1.41 -1.93 116.94 118.79 3lqj h PHE 1726Ca 0.15 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3lqj h PHE 1726Cb 0.59 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 3lqj h PHE 1726CO 0.04 0.07 0.02 1.03 -2.23 0.00 0.00 178.31 177.25 3lqj h SER 1727N -0.18 0.01 -0.97 0.41 0.87 -0.65 -2.36 113.55 110.69 3lqj h SER 1727Ca -0.01 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 3lqj h SER 1727Cb 0.16 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.08 3lqj h SER 1727CO 0.01 0.02 0.64 0.44 -0.53 0.00 0.00 176.83 177.41 3lqj h ASP 1728N 0.06 1.09 -0.65 6.23 3.32 -1.09 0.13 116.42 125.50 3lqj h ASP 1728Ca 0.03 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3lqj h ASP 1728Cb 0.02 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 3lqj h ASP 1728CO -0.04 0.78 0.41 0.44 -1.72 0.00 0.00 179.24 179.10 3lqj h ASP 1729N 1.28 0.77 -0.13 6.45 5.19 -1.13 -0.56 116.42 128.29 3lqj h ASP 1729Ca 0.36 -0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.70 3lqj h ASP 1729Cb -0.10 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.21 3lqj h ASP 1729CO -0.09 0.59 -0.02 0.40 -3.12 0.00 0.00 179.24 176.99 3lqj h ILE 1730N 0.89 1.28 -0.46 0.35 1.08 -0.80 -2.61 117.51 117.23 3lqj h ILE 1730Ca 0.24 -0.94 0.09 0.00 -0.39 0.00 0.00 64.86 63.85 3lqj h ILE 1730Cb -0.05 1.64 -0.07 0.00 -3.07 0.00 0.00 36.82 35.27 3lqj h ILE 1730CO -0.05 0.27 0.02 0.58 -0.69 0.00 0.00 178.15 178.28 3lqj h VAL 1731N -0.06 0.67 -0.86 1.67 2.07 -0.54 0.40 116.25 119.60 3lqj h VAL 1731Ca 0.03 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3lqj h VAL 1731Cb 0.43 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 3lqj h VAL 1731CO 0.01 0.02 0.56 0.11 0.02 0.00 0.00 177.57 178.30 3lqj h LYS 1732N 0.13 1.08 -0.36 1.57 1.57 -1.05 0.68 116.57 120.19 3lqj h LYS 1732Ca 0.23 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.83 3lqj h LYS 1732Cb 0.33 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3lqj h LYS 1732CO -0.36 0.71 -0.20 0.82 -0.57 0.00 0.00 179.45 179.85 3lqj h ILE 1733N 1.11 1.29 -0.30 1.86 2.04 -0.83 -0.45 117.51 122.23 3lqj h ILE 1733Ca 0.33 -1.34 -0.15 0.00 1.00 0.00 0.00 64.86 64.70 3lqj h ILE 1733Cb -0.05 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3lqj h ILE 1733CO -0.09 0.44 -0.41 0.40 0.00 0.00 0.00 178.15 178.50 3lqj h ILE 1734N 0.57 1.29 0.00 -0.67 2.04 -0.44 -2.49 117.51 117.80 3lqj h ILE 1734Ca 0.08 -1.59 -0.00 0.00 1.00 0.00 0.00 64.86 64.34 3lqj h ILE 1734Cb 0.75 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 3lqj h ILE 1734CO 0.06 0.52 -0.00 -0.61 0.00 0.00 0.00 178.15 178.11 3lqj h GLN 1735N 0.57 0.00 0.02 2.37 5.75 0.39 -1.63 115.11 122.58 3lqj h GLN 1735Ca 0.03 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.40 3lqj h GLN 1735Cb 1.00 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.57 3lqj h GLN 1735CO 0.10 0.00 -0.54 0.00 -2.65 0.00 0.00 178.83 175.74 3lqj h ALA 1736N 2.00 0.04 0.00 3.38 0.00 -0.80 -1.05 119.26 122.82 3lqj h ALA 1736Ca -0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 3lqj h ALA 1736Cb 0.51 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3lqj h ALA 1736CO 0.00 0.29 -0.16 0.00 0.00 0.00 0.00 179.25 179.38 3lqj h ALA 1737N 0.26 1.06 -0.01 0.00 0.00 -1.30 -0.52 119.26 118.75 3lqj h ALA 1737Ca -0.07 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.44 3lqj h ALA 1737Cb 1.29 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.07 3lqj h ALA 1737CO 0.11 0.20 -0.96 0.82 0.00 0.00 0.00 179.25 179.41 3lqj h ILE 1738N 0.00 1.30 -0.01 0.00 2.04 -1.22 -3.13 117.51 116.49 3lqj h ILE 1738Ca -0.00 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 63.66 3lqj h ILE 1738Cb 0.62 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 3lqj h ILE 1738CO 0.02 0.68 -0.01 0.59 0.00 0.00 0.00 178.15 179.42 3lqj n ASN 1739N -3.91 0.61 -1.60 1.72 3.02 -0.41 -3.05 115.26 111.65 3lqj n ASN 1739Ca -0.11 -1.13 -0.12 0.00 -0.03 0.00 0.00 54.58 53.20 3lqj n ASN 1739Cb 0.84 -0.01 0.20 0.00 -0.61 0.00 0.00 39.78 40.20 3lqj n ASN 1739CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3lqj n SER 1740N -0.56 3.08 -4.72 6.41 7.64 -0.25 -4.98 113.62 120.23 3lqj n SER 1740Ca 0.21 -3.68 -0.42 0.00 1.01 0.00 0.00 58.87 55.99 3lqj n SER 1740Cb 0.22 -0.72 -0.03 0.00 -1.01 0.00 0.00 64.21 62.67 3lqj n SER 1740CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3lqj s ASP 1741N -2.00 6.98 0.00 6.43 1.01 -1.17 -5.00 116.67 122.92 3lqj s ASP 1741Ca 0.50 2.22 0.00 0.00 0.71 0.00 0.00 52.55 55.98 3lqj s ASP 1741Cb 0.43 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.77 3lqj s ASP 1741CO 0.05 -0.51 0.00 0.61 0.21 0.00 0.00 175.17 175.53 3lqj n GLY 1742N 2.91 1.63 0.41 0.21 0.00 -1.26 -4.96 105.19 104.13 3lqj n GLY 1742Ca 0.08 -1.75 0.04 0.00 0.00 0.00 0.00 46.02 44.39 3lqj n GLY 1742CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lqj n GLY 1743N 5.00 1.35 3.53 -0.02 0.00 -1.26 -5.00 105.19 108.79 3lqj n GLY 1743Ca 0.00 -0.26 -0.52 0.00 0.00 0.00 0.00 46.02 45.24 3lqj n GLY 1743CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3lqj n GLN 1744N 0.34 1.21 -0.26 1.61 -0.06 -1.26 -4.92 117.38 114.04 3lqj n GLN 1744Ca 0.07 0.38 -0.02 0.00 -2.00 0.00 0.00 57.00 55.43 3lqj n GLN 1744Cb 0.31 -2.37 0.10 0.00 -4.06 0.00 0.00 30.24 24.22 3lqj n GLN 1744CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 3lqj h PRO 1745N 10.61 0.83 -0.67 3.69 0.11 -2.00 -2.86 132.00 141.72 3lqj h PRO 1745Ca -0.34 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.66 3lqj h PRO 1745Cb 1.32 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3lqj h PRO 1745CO 1.00 0.55 0.17 0.93 -0.21 0.00 0.00 178.00 180.44 3lqj h GLU 1746N 0.85 1.06 -0.09 1.05 5.08 -2.00 -1.69 114.58 118.85 3lqj h GLU 1746Ca 0.31 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 3lqj h GLU 1746Cb 0.09 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3lqj h GLU 1746CO -0.14 0.94 -0.22 -0.84 -1.00 0.00 0.00 179.01 177.75 3lqj h ILE 1747N 0.99 1.40 -0.88 3.13 3.07 -1.94 -2.57 117.51 120.71 3lqj h ILE 1747Ca 0.21 -1.54 0.07 0.00 1.55 0.00 0.00 64.86 65.15 3lqj h ILE 1747Cb 0.35 2.16 -0.06 0.00 -0.27 0.00 0.00 36.82 39.00 3lqj h ILE 1747CO 0.00 0.44 0.55 0.11 -1.05 0.00 0.00 178.15 178.20 3lqj h LYS 1748N -0.14 0.95 -0.29 0.16 1.57 -1.49 1.01 116.57 118.35 3lqj h LYS 1748Ca -0.00 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3lqj h LYS 1748Cb 0.83 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3lqj h LYS 1748CO 0.05 0.63 0.17 -0.22 -0.57 0.00 0.00 179.45 179.51 3lqj h LYS 1749N 0.98 0.34 0.00 3.15 3.64 -1.28 0.64 116.57 124.05 3lqj h LYS 1749Ca 0.39 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.65 3lqj h LYS 1749Cb 0.21 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3lqj h LYS 1749CO -0.19 0.23 -0.51 0.00 -2.27 0.00 0.00 179.45 176.71 3lqj h ALA 1750N 1.13 1.10 0.68 5.00 0.00 -0.93 -0.82 119.26 125.42 3lqj h ALA 1750Ca 0.11 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 3lqj h ALA 1750Cb -0.01 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.71 3lqj h ALA 1750CO -0.05 0.63 -0.33 -0.97 0.00 0.00 0.00 179.25 178.54 3lqj h ASN 1751N 0.00 -0.77 -0.72 0.00 -0.73 0.20 -1.82 115.58 111.74 3lqj h ASN 1751Ca -0.01 0.03 0.02 0.00 1.87 0.00 0.00 56.30 58.21 3lqj h ASN 1751Cb 0.93 0.20 -0.04 0.00 0.27 0.00 0.00 38.32 39.68 3lqj h ASN 1751CO 0.07 -0.48 0.48 0.28 -0.37 0.00 0.00 177.43 177.41 3lqj h SER 1752N -1.06 0.80 0.30 1.15 0.02 0.26 0.33 113.55 115.34 3lqj h SER 1752Ca -0.09 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3lqj h SER 1752Cb 0.70 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3lqj h SER 1752CO 0.15 0.56 0.00 0.23 -1.14 0.00 0.00 176.83 176.64 3lqj n MET 1753N -4.44 0.09 -0.12 3.45 2.81 -0.32 -1.72 117.12 116.87 3lqj n MET 1753Ca 0.08 0.47 -0.17 0.00 -1.81 0.00 0.00 57.70 56.27 3lqj n MET 1753Cb 0.07 -1.73 -0.13 0.00 -0.71 0.00 0.00 33.22 30.73 3lqj n MET 1753CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 3lqj n VAL 1754N -1.91 1.47 0.21 2.03 3.14 0.11 -2.75 118.33 120.62 3lqj n VAL 1754Ca 0.01 -0.61 0.04 0.00 -2.96 0.00 0.00 64.34 60.82 3lqj n VAL 1754Cb 0.11 -1.26 0.44 0.00 -1.06 0.00 0.00 33.84 32.06 3lqj n VAL 1754CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 3lqj h LYS 1755N 0.00 0.00 0.18 1.45 3.64 -0.99 -0.27 116.57 120.57 3lqj h LYS 1755Ca -0.57 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.49 3lqj h LYS 1755Cb 1.95 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.78 3lqj h LYS 1755CO -0.07 0.28 -1.55 0.77 -2.27 0.00 0.00 179.45 176.61 3lqj h SER 1756N 0.00 0.58 -0.07 4.20 0.02 -1.52 -3.02 113.55 113.74 3lqj h SER 1756Ca -0.00 -0.92 -0.07 0.00 -0.84 0.00 0.00 61.79 59.97 3lqj h SER 1756Cb 0.51 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3lqj h SER 1756CO 0.04 1.70 -0.14 0.15 -1.14 0.00 0.00 176.83 177.45 3lqj h PHE 1757N -0.04 0.43 0.10 3.45 3.57 -1.33 -1.14 116.94 121.98 3lqj h PHE 1757Ca -0.31 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.13 3lqj h PHE 1757Cb 1.98 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.61 3lqj h PHE 1757CO 0.12 0.53 -0.05 0.35 -2.23 0.00 0.00 178.31 177.04 3lqj h PHE 1758N 0.38 -0.12 -0.53 0.41 3.57 -1.17 -1.44 116.94 118.05 3lqj h PHE 1758Ca 0.07 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.66 3lqj h PHE 1758Cb 0.47 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 3lqj h PHE 1758CO 0.01 0.39 0.36 0.82 -2.23 0.00 0.00 178.31 177.66 3lqj h ILE 1759N -0.75 0.90 0.05 1.41 2.04 -1.45 0.10 117.51 119.82 3lqj h ILE 1759Ca -0.01 -0.12 -0.23 0.00 1.00 0.00 0.00 64.86 65.50 3lqj h ILE 1759Cb 0.56 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3lqj h ILE 1759CO 0.02 0.06 -1.06 0.03 0.00 0.00 0.00 178.15 177.20 3lqj h ARG 1760N 0.34 0.15 0.00 2.37 3.08 -1.21 -2.48 114.38 116.64 3lqj h ARG 1760Ca 0.24 -0.23 -0.13 0.00 0.07 0.00 0.00 59.98 59.93 3lqj h ARG 1760Cb 0.51 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 3lqj h ARG 1760CO -0.06 1.07 -0.64 1.96 -1.07 0.00 0.00 179.97 181.24 3lqj h GLN 1761N 0.05 0.00 0.04 0.04 1.08 -0.02 -2.82 115.11 113.49 3lqj h GLN 1761Ca -0.07 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.88 3lqj h GLN 1761Cb 1.78 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 29.22 3lqj h GLN 1761CO 0.16 0.64 -1.04 0.52 -0.95 0.00 0.00 178.83 178.15 3lqj h MET 1762N 0.00 0.47 -0.74 1.46 2.86 -0.88 -3.16 114.93 114.93 3lqj h MET 1762Ca -0.01 -0.56 0.02 0.00 -2.06 0.00 0.00 59.70 57.09 3lqj h MET 1762Cb 1.23 0.17 -0.04 0.00 0.06 0.00 0.00 31.60 33.02 3lqj h MET 1762CO 0.08 1.20 0.49 1.49 1.06 0.00 0.00 176.91 181.23 3lqj h GLU 1763N 0.24 0.95 -0.49 1.72 4.81 -1.34 0.28 114.58 120.75 3lqj h GLU 1763Ca -0.11 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.01 3lqj h GLU 1763Cb 1.70 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.85 3lqj h GLU 1763CO 0.19 0.63 0.12 0.00 -0.73 0.00 0.00 179.01 179.22 3lqj h ARG 1764N 0.97 0.79 0.09 1.92 3.08 -1.49 -2.79 114.38 116.96 3lqj h ARG 1764Ca 0.28 -0.19 -0.34 0.00 0.07 0.00 0.00 59.98 59.80 3lqj h ARG 1764Cb -0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3lqj h ARG 1764CO -0.07 0.76 -1.89 0.28 -1.07 0.00 0.00 179.97 177.99 3lqj h VAL 1765N 0.68 0.72 -2.22 2.04 2.07 -1.46 -3.41 116.25 114.67 3lqj h VAL 1765Ca 0.16 -2.47 -0.59 0.00 0.82 0.00 0.00 66.70 64.62 3lqj h VAL 1765Cb 0.32 2.50 -0.41 0.00 -1.52 0.00 0.00 31.29 32.19 3lqj h VAL 1765CO 0.00 0.78 -0.73 0.49 0.02 0.00 0.00 177.57 178.13 3lqj n PHE 1766N -3.36 2.50 0.34 1.57 3.72 0.97 -4.93 117.46 118.26 3lqj n PHE 1766Ca -0.27 -4.00 0.22 0.00 -0.05 0.00 0.00 57.45 53.36 3lqj n PHE 1766Cb 1.05 -0.49 1.20 0.00 -0.94 0.00 0.00 39.48 40.30 3lqj n PHE 1766CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3lqj h PRO 1767N 4.27 0.00 0.00 -1.08 0.13 -1.65 -1.05 132.00 132.62 3lqj h PRO 1767Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3lqj h PRO 1767Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3lqj h PRO 1767CO 0.72 0.00 -0.38 -2.67 -0.23 0.00 0.00 178.00 175.45 3lqj n TRP 1768N -3.08 0.19 -3.81 1.56 4.27 -1.26 -4.88 117.44 110.43 3lqj n TRP 1768Ca -0.03 0.05 -0.34 0.00 -3.89 0.00 0.00 57.50 53.29 3lqj n TRP 1768Cb 0.09 -0.45 -0.05 0.00 -1.36 0.00 0.00 31.31 29.54 3lqj n TRP 1768CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3lqj s PHE 1769N -3.04 3.57 -0.29 -2.67 5.36 -0.40 -5.09 117.98 115.42 3lqj s PHE 1769Ca 0.11 0.51 -0.01 0.00 -0.96 0.00 0.00 56.93 56.58 3lqj s PHE 1769Cb 0.17 -1.94 0.05 0.00 -0.34 0.00 0.00 43.02 40.95 3lqj s PHE 1769CO 0.66 0.63 -0.03 0.45 -1.46 0.00 0.00 175.22 175.47 3lqj s SER 1770N -1.71 4.78 0.15 6.13 0.15 -1.26 -4.86 113.70 117.08 3lqj s SER 1770Ca 0.26 -1.30 -0.01 0.00 0.70 0.00 0.00 55.95 55.60 3lqj s SER 1770Cb -0.13 -1.67 -0.03 0.00 -1.71 0.00 0.00 66.02 62.48 3lqj s SER 1770CO 0.16 -0.24 1.35 0.58 1.20 0.00 0.00 173.24 176.29 3lqj h VAL 1771N 6.54 1.44 -0.01 4.45 2.07 -1.96 -3.12 116.25 125.66 3lqj h VAL 1771Ca -0.21 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 64.85 3lqj h VAL 1771Cb 1.06 2.39 -0.00 0.00 -1.52 0.00 0.00 31.29 33.22 3lqj h VAL 1771CO 0.51 0.73 0.09 0.11 0.02 0.00 0.00 177.57 179.03 3lqj h LYS 1772N 0.19 0.00 0.00 1.57 1.57 -1.97 -1.38 116.57 116.54 3lqj h LYS 1772Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3lqj h LYS 1772Cb 1.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.82 3lqj h LYS 1772CO 0.15 0.00 -0.19 -0.22 -0.57 0.00 0.00 179.45 178.62 3lqj h LYS 1773N 0.00 0.00 -6.12 3.15 3.64 -1.97 -3.48 116.57 111.78 3lqj h LYS 1773Ca 0.01 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.69 3lqj h LYS 1773Cb 0.19 0.00 0.08 0.00 -0.41 0.00 0.00 32.23 32.09 3lqj h LYS 1773CO -0.00 0.00 -0.06 0.45 -2.27 0.00 0.00 179.45 177.57 3lqj n SER 1774N -2.32 0.07 0.18 4.20 2.88 -0.52 -4.85 113.62 113.25 3lqj n SER 1774Ca 0.05 1.15 0.14 0.00 -1.33 0.00 0.00 58.87 58.87 3lqj n SER 1774Cb 0.45 -1.04 0.55 0.00 -0.75 0.00 0.00 64.21 63.42 3lqj n SER 1774CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3lqj h ARG 1775N 2.43 0.00 -0.64 -1.46 3.08 -1.92 -3.15 114.38 112.71 3lqj h ARG 1775Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3lqj h ARG 1775Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.45 3lqj h ARG 1775CO 0.64 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.73 3lqj n PHE 1776N -2.50 0.96 -2.65 3.04 3.72 -1.26 -4.90 117.46 113.86 3lqj n PHE 1776Ca 0.02 -0.36 -0.22 0.00 -0.05 0.00 0.00 57.45 56.83 3lqj n PHE 1776Cb 0.26 -0.22 0.08 0.00 -0.94 0.00 0.00 39.48 38.66 3lqj n PHE 1776CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3lqj s TRP 1777N -1.80 1.92 -2.00 1.38 0.23 -1.19 -4.54 118.94 112.94 3lqj s TRP 1777Ca 0.30 -0.26 0.14 0.00 -2.03 0.00 0.00 56.10 54.25 3lqj s TRP 1777Cb 0.20 -2.83 0.81 0.00 0.03 0.00 0.00 33.47 31.68 3lqj s TRP 1777CO 0.13 -1.41 1.23 -1.91 0.96 0.00 0.00 176.95 175.95