#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3isu s PHE 1526N 0.00 3.44 -0.19 2.98 0.08 -1.26 -5.43 117.98 117.61 3isu s PHE 1526Ca 0.00 1.68 -0.03 0.00 0.12 0.00 0.00 56.93 58.70 3isu s PHE 1526Cb 0.00 -3.22 0.06 0.00 -0.57 0.00 0.00 43.02 39.29 3isu s PHE 1526CO 0.00 -0.59 0.04 -0.65 -0.10 0.00 0.00 175.22 173.93 3isu s GLN 1527N -1.90 0.56 0.00 0.44 -0.21 -1.26 -5.38 119.66 111.91 3isu s GLN 1527Ca 0.50 -0.37 0.00 0.00 0.02 0.00 0.00 55.36 55.51 3isu s GLN 1527Cb -0.28 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 31.66 3isu s GLN 1527CO 0.35 -0.65 0.00 1.04 -2.12 0.00 0.00 175.29 173.92 3isu n GLN 1532N 5.09 0.00 -2.32 2.91 3.00 -1.26 -5.45 117.38 119.34 3isu n GLN 1532Ca -0.09 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.50 3isu n GLN 1532Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.68 3isu n GLN 1532CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3isu s PRO 1533N 0.00 4.52 0.23 -1.09 0.04 -1.26 -5.03 135.00 132.41 3isu s PRO 1533Ca 0.00 1.98 -0.11 0.00 0.04 0.00 0.00 61.00 62.91 3isu s PRO 1533Cb 0.00 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 3isu s PRO 1533CO 0.00 0.04 0.41 -1.54 0.04 0.00 0.00 177.00 175.95 3isu s SER 1534N -0.68 -0.05 -0.07 6.66 1.04 -1.26 -4.35 113.70 114.98 3isu s SER 1534Ca 0.47 -0.99 0.02 0.00 0.48 0.00 0.00 55.95 55.93 3isu s SER 1534Cb -0.35 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.33 3isu s SER 1534CO 0.46 -1.08 -0.12 -0.76 0.98 0.00 0.00 173.24 172.73 3isu s LEU 1535N -3.03 1.59 -0.21 2.42 1.43 -0.43 -4.99 118.68 115.46 3isu s LEU 1535Ca 0.24 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 3isu s LEU 1535Cb 0.01 -0.82 0.05 0.00 0.03 0.00 0.00 46.19 45.46 3isu s LEU 1535CO 0.09 0.01 -0.07 -2.28 0.23 0.00 0.00 176.35 174.33 3isu s HIS 1536N 0.79 2.25 0.01 0.29 5.65 -1.26 -0.34 115.29 122.68 3isu s HIS 1536Ca -0.12 -1.55 0.00 0.00 0.25 0.00 0.00 55.06 53.63 3isu s HIS 1536Cb -0.15 -1.54 -0.01 0.00 -1.18 0.00 0.00 32.58 29.70 3isu s HIS 1536CO 0.02 -0.73 -0.01 0.71 -0.65 0.00 0.00 174.74 174.08 3isu s TYR 1537N 1.45 0.11 0.66 3.88 2.02 -0.17 -5.00 117.35 120.31 3isu s TYR 1537Ca -0.03 -0.23 -0.11 0.00 -0.37 0.00 0.00 57.07 56.33 3isu s TYR 1537Cb -0.17 -0.08 -0.01 0.00 -0.40 0.00 0.00 41.96 41.30 3isu s TYR 1537CO -0.07 -0.08 1.06 0.95 -1.57 0.00 0.00 175.55 175.84 3isu s THR 1538N -0.63 4.00 0.39 -0.71 -4.23 -1.26 -0.24 115.64 112.96 3isu s THR 1538Ca -0.07 0.62 0.12 0.00 -1.18 0.00 0.00 61.69 61.18 3isu s THR 1538Cb -0.04 -3.64 0.34 0.00 1.34 0.00 0.00 72.50 70.50 3isu s THR 1538CO -0.00 -0.83 1.90 0.00 -0.54 0.00 0.00 174.62 175.14 3isu h ALA 1539N -0.49 1.97 -0.43 3.99 0.00 -0.60 -0.93 119.26 122.77 3isu h ALA 1539Ca -0.45 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 3isu h ALA 1539Cb 1.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3isu h ALA 1539CO 0.63 -0.19 -0.29 0.00 0.00 0.00 0.00 179.25 179.40 3isu h ALA 1540N 1.62 0.68 -0.54 0.00 0.00 -1.78 -0.08 119.26 119.16 3isu h ALA 1540Ca 0.40 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3isu h ALA 1540Cb 0.77 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3isu h ALA 1540CO -0.16 0.67 0.10 1.96 0.00 0.00 0.00 179.25 181.82 3isu h GLN 1541N 0.79 0.88 -0.17 0.00 4.20 -1.67 -1.90 115.11 117.24 3isu h GLN 1541Ca 0.09 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 3isu h GLN 1541Cb 0.86 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 3isu h GLN 1541CO 0.08 0.85 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.84 3isu h LEU 1542N 0.77 0.27 -0.35 1.46 3.38 -0.98 -1.74 115.31 118.12 3isu h LEU 1542Ca 0.16 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3isu h LEU 1542Cb 0.39 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3isu h LEU 1542CO 0.01 0.47 0.10 0.25 0.09 0.00 0.00 178.44 179.36 3isu h LEU 1543N 0.26 0.51 -1.56 1.67 5.85 -0.83 -0.87 115.31 120.34 3isu h LEU 1543Ca 0.05 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 3isu h LEU 1543Cb 0.47 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3isu h LEU 1543CO 0.03 0.58 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.58 3isu h GLU 1544N 0.41 0.21 0.00 1.25 4.22 -0.95 -0.67 114.58 119.04 3isu h GLU 1544Ca 0.11 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.52 3isu h GLU 1544Cb 0.26 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3isu h GLU 1544CO -0.00 0.28 -0.12 1.63 -2.18 0.00 0.00 179.01 178.62 3isu n LYS 1545N -4.35 0.07 -0.70 1.92 5.02 -0.69 -4.92 118.16 114.50 3isu n LYS 1545Ca -0.01 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3isu n LYS 1545Cb 0.20 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3isu n LYS 1545CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3isu n GLY 1546N 1.45 0.84 0.18 0.72 0.00 -0.26 -4.92 105.19 103.20 3isu n GLY 1546Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 3isu n GLY 1546CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3isu h VAL 1547N 0.00 1.34 -3.11 1.61 2.07 -1.42 -3.40 116.25 113.33 3isu h VAL 1547Ca 0.00 -1.72 -0.60 0.00 0.82 0.00 0.00 66.70 65.20 3isu h VAL 1547Cb 0.00 2.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 3isu h VAL 1547CO 0.00 0.52 -0.22 -0.22 0.02 0.00 0.00 177.57 177.68 3isu s LEU 1548N -8.70 4.39 -0.23 2.57 2.96 -0.72 -0.33 118.68 118.62 3isu s LEU 1548Ca -0.13 0.85 -0.08 0.00 -0.22 0.00 0.00 54.13 54.55 3isu s LEU 1548Cb 0.07 -2.56 -0.11 0.00 0.50 0.00 0.00 46.19 44.08 3isu s LEU 1548CO 0.83 0.22 -0.28 0.52 -1.32 0.00 0.00 176.35 176.33 3isu n VAL 1549N 2.49 1.29 -3.47 1.68 0.31 0.26 -4.36 118.33 116.54 3isu n VAL 1549Ca -0.12 -0.37 -0.11 0.00 -0.01 0.00 0.00 64.34 63.73 3isu n VAL 1549Cb 0.52 -1.67 -0.02 0.00 -0.91 0.00 0.00 33.84 31.75 3isu n VAL 1549CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3isu s GLU 1550N -2.44 1.03 -0.23 5.55 -1.05 -1.18 -5.01 118.70 115.38 3isu s GLU 1550Ca -0.32 -0.32 0.00 0.00 -0.15 0.00 0.00 54.97 54.18 3isu s GLU 1550Cb 0.11 0.47 0.06 0.00 -0.44 0.00 0.00 34.13 34.34 3isu s GLU 1550CO 0.44 -0.44 -0.04 0.42 0.95 0.00 0.00 175.26 176.60 3isu s ILE 1551N -3.18 1.35 0.28 1.83 1.01 -1.26 -0.43 121.20 120.79 3isu s ILE 1551Ca 0.02 -1.09 -0.30 0.00 0.00 0.00 0.00 60.65 59.27 3isu s ILE 1551Cb -0.01 -1.65 -0.12 0.00 0.01 0.00 0.00 42.46 40.69 3isu s ILE 1551CO -0.09 -0.11 1.58 1.21 0.00 0.00 0.00 174.94 177.53 3isu n GLU 1552N 4.74 2.59 -1.51 2.79 2.13 0.18 -1.85 120.64 129.71 3isu n GLU 1552Ca -0.12 0.92 -0.16 0.00 0.66 0.00 0.00 57.16 58.47 3isu n GLU 1552Cb 0.45 -2.69 -0.06 0.00 0.27 0.00 0.00 31.44 29.40 3isu n GLU 1552CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3isu n ASP 1553N 2.33 -4.91 -3.93 4.31 8.00 -1.26 -4.95 116.55 116.14 3isu n ASP 1553Ca 0.10 0.37 -0.28 0.00 0.71 0.00 0.00 54.79 55.68 3isu n ASP 1553Cb 0.36 -3.82 -0.17 0.00 -0.02 0.00 0.00 41.12 37.47 3isu n ASP 1553CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3isu s LEU 1554N -3.67 1.60 0.43 0.64 2.96 -0.77 -5.12 118.68 114.75 3isu s LEU 1554Ca 0.00 -0.56 -0.26 0.00 -0.22 0.00 0.00 54.13 53.09 3isu s LEU 1554Cb 0.00 -0.99 -0.09 0.00 0.50 0.00 0.00 46.19 45.61 3isu s LEU 1554CO 0.00 -0.14 1.42 -2.65 -1.32 0.00 0.00 176.35 173.66 3isu n PRO 1555N 4.85 2.28 -0.38 0.98 -0.02 -1.26 -4.68 135.00 136.76 3isu n PRO 1555Ca -0.13 0.81 0.31 0.00 -2.02 0.00 0.00 63.50 62.46 3isu n PRO 1555Cb 0.49 -2.60 0.60 0.00 -0.02 0.00 0.00 33.50 31.97 3isu n PRO 1555CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3isu h ALA 1556N 2.38 2.56 0.00 3.55 0.00 -2.00 -1.40 119.26 124.35 3isu h ALA 1556Ca -0.50 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3isu h ALA 1556Cb 1.27 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3isu h ALA 1556CO 0.61 -1.07 0.00 0.66 0.00 0.00 0.00 179.25 179.46 3isu h SER 1557N 0.21 0.00 0.02 0.00 4.64 -2.05 -0.56 113.55 115.83 3isu h SER 1557Ca 0.70 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 3isu h SER 1557Cb 2.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.18 3isu h SER 1557CO -0.32 0.00 -0.12 1.41 -0.87 0.00 0.00 176.83 176.92 3isu n HIS 1558N -2.67 0.00 0.22 4.77 -0.00 -0.53 -4.43 115.22 112.58 3isu n HIS 1558Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.76 3isu n HIS 1558Cb 0.13 -0.02 0.49 0.00 -0.00 0.00 0.00 29.99 30.59 3isu n HIS 1558CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.34 177.08 3isu h PHE 1559N 2.92 0.00 -0.01 4.41 -1.00 -1.22 -0.25 116.94 121.79 3isu h PHE 1559Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3isu h PHE 1559Cb 0.70 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.26 3isu h PHE 1559CO 0.00 0.21 0.02 0.00 -1.61 0.00 0.00 178.31 176.93 3isu h ARG 1560N 0.00 0.00 -0.56 1.51 3.08 -1.78 -2.50 114.38 114.13 3isu h ARG 1560Ca -0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 3isu h ARG 1560Cb 0.38 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.32 3isu h ARG 1560CO 0.03 0.00 0.16 0.09 -1.07 0.00 0.00 179.97 179.18 3isu n ASN 1561N -3.63 3.83 -4.15 7.04 4.13 -0.11 -4.80 115.26 117.57 3isu n ASN 1561Ca -0.03 -3.38 -0.32 0.00 1.68 0.00 0.00 54.58 52.54 3isu n ASN 1561Cb 0.10 -0.68 -0.17 0.00 -1.54 0.00 0.00 39.78 37.49 3isu n ASN 1561CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3isu s VAL 1562N -3.07 1.93 -0.09 2.41 1.01 -0.96 -0.80 120.40 120.82 3isu s VAL 1562Ca 0.50 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3isu s VAL 1562Cb 0.41 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 35.09 3isu s VAL 1562CO 0.08 0.53 -0.18 -0.63 0.00 0.00 0.00 175.10 174.90 3isu s ILE 1563N 0.81 1.63 -0.10 2.22 1.09 -0.00 -0.61 121.20 126.23 3isu s ILE 1563Ca -0.08 -0.75 -0.02 0.00 -1.10 0.00 0.00 60.65 58.70 3isu s ILE 1563Cb -0.16 -1.45 -0.03 0.00 -1.06 0.00 0.00 42.46 39.77 3isu s ILE 1563CO -0.01 0.46 -0.02 -0.36 -0.10 0.00 0.00 174.94 174.91 3isu s PHE 1564N 0.64 3.07 -0.10 3.97 0.08 0.66 -0.52 117.98 125.78 3isu s PHE 1564Ca -0.14 0.02 0.01 0.00 0.12 0.00 0.00 56.93 56.94 3isu s PHE 1564Cb -0.16 -1.82 0.02 0.00 -0.57 0.00 0.00 43.02 40.48 3isu s PHE 1564CO 0.04 0.29 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.83 3isu s ASP 1565N -0.50 2.15 -0.11 1.36 1.01 -0.26 -1.00 116.67 119.32 3isu s ASP 1565Ca 0.08 -0.35 0.03 0.00 0.71 0.00 0.00 52.55 53.02 3isu s ASP 1565Cb -0.12 -0.93 0.01 0.00 1.01 0.00 0.00 42.92 42.89 3isu s ASP 1565CO 0.02 -0.03 -0.21 -0.63 0.21 0.00 0.00 175.17 174.53 3isu s ILE 1566N 1.16 1.93 0.10 0.77 1.01 0.54 -0.72 121.20 125.99 3isu s ILE 1566Ca -0.05 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.71 3isu s ILE 1566Cb -0.14 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 3isu s ILE 1566CO -0.03 0.53 -0.10 0.42 0.00 0.00 0.00 174.94 175.76 3isu s THR 1567N 0.60 0.94 0.37 2.92 -4.23 -0.56 -1.31 115.64 114.37 3isu s THR 1567Ca -0.13 -1.68 -0.27 0.00 -1.18 0.00 0.00 61.69 58.43 3isu s THR 1567Cb -0.17 -1.40 -0.09 0.00 1.34 0.00 0.00 72.50 72.18 3isu s THR 1567CO 0.04 -0.59 1.31 -2.84 -0.54 0.00 0.00 174.62 172.00 3isu s PRO 1568N -2.89 4.15 0.00 3.99 0.02 -1.26 -0.16 135.00 138.85 3isu s PRO 1568Ca 0.06 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.27 3isu s PRO 1568Cb -0.02 -2.90 0.00 0.00 0.02 0.00 0.00 34.50 31.60 3isu s PRO 1568CO -0.00 -0.35 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 3isu n GLY 1569N 0.71 0.67 1.82 0.52 0.00 0.10 -4.63 105.19 104.38 3isu n GLY 1569Ca 0.02 -1.87 0.06 0.00 0.00 0.00 0.00 46.02 44.24 3isu n GLY 1569CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3isu n ASP 1570N -0.58 5.54 -3.74 1.61 5.75 -1.26 -4.86 116.55 119.02 3isu n ASP 1570Ca 0.00 -2.97 -0.10 0.00 -0.01 0.00 0.00 54.79 51.71 3isu n ASP 1570Cb 0.00 -0.68 -0.06 0.00 -1.03 0.00 0.00 41.12 39.35 3isu n ASP 1570CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3isu s GLU 1571N -2.80 0.91 0.20 0.11 2.02 -1.26 -5.09 118.70 112.79 3isu s GLU 1571Ca 0.54 -0.69 -0.33 0.00 0.02 0.00 0.00 54.97 54.51 3isu s GLU 1571Cb 0.41 0.39 -0.13 0.00 0.10 0.00 0.00 34.13 34.91 3isu s GLU 1571CO 0.15 -0.32 1.59 0.00 0.02 0.00 0.00 175.26 176.70 3isu n ALA 1572N 0.12 1.80 -0.98 5.21 0.00 -1.26 -2.12 120.51 123.27 3isu n ALA 1572Ca -0.17 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3isu n ALA 1572Cb 0.62 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.67 3isu n ALA 1572CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3isu n GLY 1573N 3.25 0.85 3.76 0.00 0.00 -1.26 -4.91 105.19 106.88 3isu n GLY 1573Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3isu n GLY 1573CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3isu s LYS 1574N -0.06 3.62 -0.02 1.61 2.20 -0.90 -0.12 119.74 126.08 3isu s LYS 1574Ca 0.00 -0.24 0.04 0.00 -0.36 0.00 0.00 55.97 55.41 3isu s LYS 1574Cb 0.00 -3.17 -0.01 0.00 -1.51 0.00 0.00 37.83 33.14 3isu s LYS 1574CO 0.00 0.57 -0.12 -0.06 -0.36 0.00 0.00 175.35 175.37 3isu s PHE 1575N -0.44 1.14 -0.23 4.03 0.08 0.72 0.03 117.98 123.31 3isu s PHE 1575Ca 0.11 -0.25 -0.12 0.00 0.12 0.00 0.00 56.93 56.79 3isu s PHE 1575Cb -0.12 -0.76 -0.05 0.00 -0.57 0.00 0.00 43.02 41.53 3isu s PHE 1575CO 0.02 -0.05 0.22 -2.00 -0.10 0.00 0.00 175.22 173.30 3isu s GLU 1576N -0.14 4.09 -0.21 0.44 2.12 0.78 -0.19 118.70 125.59 3isu s GLU 1576Ca 0.02 -0.16 -0.04 0.00 0.36 0.00 0.00 54.97 55.15 3isu s GLU 1576Cb -0.06 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.77 3isu s GLU 1576CO -0.00 0.03 -0.02 0.08 -0.54 0.00 0.00 175.26 174.82 3isu s VAL 1577N 1.13 3.71 0.20 3.70 1.01 0.12 -1.50 120.40 128.77 3isu s VAL 1577Ca 0.10 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 61.78 3isu s VAL 1577Cb -0.14 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 3isu s VAL 1577CO 0.05 0.42 -0.05 0.20 0.00 0.00 0.00 175.10 175.73 3isu s ASN 1578N 1.19 4.47 0.06 3.32 0.01 0.10 -2.09 114.94 122.00 3isu s ASN 1578Ca 0.03 -0.54 -0.19 0.00 -0.71 0.00 0.00 52.86 51.45 3isu s ASN 1578Cb -0.15 -0.84 0.04 0.00 0.41 0.00 0.00 41.25 40.72 3isu s ASN 1578CO 0.00 0.07 0.43 0.00 -1.51 0.00 0.00 177.10 176.10 3isu s ALA 1579N -1.87 -1.06 -0.16 0.60 0.00 -1.26 -1.10 121.76 116.91 3isu s ALA 1579Ca 0.27 0.30 -0.02 0.00 0.00 0.00 0.00 51.96 52.51 3isu s ALA 1579Cb -0.08 0.42 0.05 0.00 0.00 0.00 0.00 23.12 23.51 3isu s ALA 1579CO 0.17 -0.50 0.01 0.21 0.00 0.00 0.00 175.76 175.65 3isu s LYS 1580N -2.73 0.80 -0.34 0.00 2.47 0.32 -0.77 119.74 119.50 3isu s LYS 1580Ca -0.04 -0.32 -0.11 0.00 -1.56 0.00 0.00 55.97 53.94 3isu s LYS 1580Cb -0.00 -1.82 -0.01 0.00 -1.46 0.00 0.00 37.83 34.54 3isu s LYS 1580CO -0.04 -0.52 0.21 -0.06 0.16 0.00 0.00 175.35 175.09 3isu s PHE 1581N 1.84 3.21 -1.48 4.03 2.99 -0.14 -0.82 117.98 127.61 3isu s PHE 1581Ca 0.01 -0.45 -0.07 0.00 0.00 0.00 0.00 56.93 56.42 3isu s PHE 1581Cb -0.16 -2.43 0.05 0.00 0.00 0.00 0.00 43.02 40.49 3isu s PHE 1581CO -0.07 -0.44 0.67 1.28 -0.00 0.00 0.00 175.22 176.66 3isu n LEU 1582N 5.05 -2.34 0.00 -0.37 4.77 0.02 -1.27 117.00 122.86 3isu n LEU 1582Ca -0.13 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 3isu n LEU 1582Cb 0.49 -2.34 0.00 0.00 -2.33 0.00 0.00 43.42 39.23 3isu n LEU 1582CO 0.36 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 3isu n GLY 1583N -1.73 1.84 3.59 -0.72 0.00 -1.26 -5.02 105.19 101.89 3isu n GLY 1583Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 3isu n GLY 1583CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3isu s VAL 1584N -2.82 5.15 0.10 1.61 1.01 -0.39 -5.06 120.40 120.00 3isu s VAL 1584Ca 0.00 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.78 3isu s VAL 1584Cb 0.00 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 32.87 3isu s VAL 1584CO 0.00 0.30 1.55 -1.81 0.00 0.00 0.00 175.10 175.14 3isu s ASP 1585N 1.46 6.66 0.32 3.32 1.01 -1.26 -0.96 116.67 127.22 3isu s ASP 1585Ca 0.07 2.47 0.01 0.00 0.71 0.00 0.00 52.55 55.81 3isu s ASP 1585Cb -0.15 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.17 3isu s ASP 1585CO 0.07 -0.81 0.50 -0.04 0.21 0.00 0.00 175.17 175.11 3isu s MET 1586N 1.81 3.48 0.07 8.23 -1.94 0.05 -4.96 119.30 126.04 3isu s MET 1586Ca 0.70 -0.43 -0.31 0.00 -1.71 0.00 0.00 55.69 53.95 3isu s MET 1586Cb -0.40 -2.71 -0.07 0.00 2.01 0.00 0.00 34.83 33.66 3isu s MET 1586CO 0.31 0.21 1.44 -2.00 -0.01 0.00 0.00 175.02 174.97 3isu s GLU 1587N -4.22 4.28 0.33 2.03 2.56 -1.26 -4.58 118.70 117.84 3isu s GLU 1587Ca 0.39 2.08 -0.27 0.00 0.00 0.00 0.00 54.97 57.17 3isu s GLU 1587Cb -0.09 -3.41 -0.13 0.00 2.00 0.00 0.00 34.13 32.49 3isu s GLU 1587CO 0.34 -0.54 1.02 -2.13 -0.56 0.00 0.00 175.26 173.39 3isu n ARG 1588N 4.71 1.40 -4.16 4.30 0.63 -1.26 -4.84 116.66 117.44 3isu n ARG 1588Ca 0.13 0.49 -0.15 0.00 -0.92 0.00 0.00 57.85 57.40 3isu n ARG 1588Cb 0.42 -1.93 -0.07 0.00 0.45 0.00 0.00 32.46 31.34 3isu n ARG 1588CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 3isu s PHE 1589N -1.14 1.23 -0.15 -0.14 -0.12 -0.89 -5.00 117.98 111.77 3isu s PHE 1589Ca 0.60 -1.37 0.02 0.00 -0.05 0.00 0.00 56.93 56.12 3isu s PHE 1589Cb -0.64 -0.34 0.01 0.00 -0.63 0.00 0.00 43.02 41.41 3isu s PHE 1589CO 0.59 -0.95 -0.20 -0.65 -0.05 0.00 0.00 175.22 173.96 3isu s GLN 1590N -3.46 3.07 -0.16 1.99 -1.52 -1.26 -0.70 119.66 117.62 3isu s GLN 1590Ca 0.34 -0.82 -0.08 0.00 -1.95 0.00 0.00 55.36 52.85 3isu s GLN 1590Cb 0.02 -2.51 -0.04 0.00 -0.22 0.00 0.00 33.01 30.26 3isu s GLN 1590CO 0.20 -0.03 0.12 -0.51 -0.25 0.00 0.00 175.29 174.82 3isu s LEU 1591N 0.87 4.20 -0.16 2.90 1.43 0.74 -4.95 118.68 123.71 3isu s LEU 1591Ca -0.05 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 3isu s LEU 1591Cb -0.15 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 3isu s LEU 1591CO -0.03 0.29 -0.11 -1.00 0.23 0.00 0.00 176.35 175.73 3isu s HIS 1592N -0.30 2.85 0.30 0.29 3.76 -1.26 -0.20 115.29 120.73 3isu s HIS 1592Ca 0.11 -0.81 0.02 0.00 -0.15 0.00 0.00 55.06 54.22 3isu s HIS 1592Cb -0.12 -1.92 0.56 0.00 1.11 0.00 0.00 32.58 32.22 3isu s HIS 1592CO 0.01 -0.36 1.88 -0.92 -0.85 0.00 0.00 174.74 174.51 3isu h TYR 1593N 7.19 1.06 -0.18 1.40 3.20 -0.87 -1.44 116.97 127.32 3isu h TYR 1593Ca -0.32 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.51 3isu h TYR 1593Cb 1.19 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 3isu h TYR 1593CO 0.52 0.50 -0.18 0.37 -1.64 0.00 0.00 178.16 177.73 3isu h GLN 1594N 0.99 0.31 -0.48 1.82 5.75 -1.95 -0.27 115.11 121.29 3isu h GLN 1594Ca 0.43 -0.09 -0.07 0.00 -0.15 0.00 0.00 58.65 58.77 3isu h GLN 1594Cb 0.34 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 3isu h GLN 1594CO -0.19 0.50 0.03 -0.44 -2.65 0.00 0.00 178.83 176.08 3isu h ASP 1595N 0.29 0.80 -0.56 -0.69 3.32 -1.67 -0.24 116.42 117.67 3isu h ASP 1595Ca 0.05 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 3isu h ASP 1595Cb 0.50 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3isu h ASP 1595CO 0.03 0.89 0.28 -0.07 -1.72 0.00 0.00 179.24 178.65 3isu h LEU 1596N 0.68 0.72 -1.16 1.55 3.38 -0.95 -0.97 115.31 118.55 3isu h LEU 1596Ca 0.14 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3isu h LEU 1596Cb 0.46 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3isu h LEU 1596CO 0.02 0.63 0.53 -0.07 0.09 0.00 0.00 178.44 179.64 3isu h LEU 1597N 0.75 0.96 -0.47 1.67 3.38 -0.88 -0.63 115.31 120.09 3isu h LEU 1597Ca 0.19 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 3isu h LEU 1597Cb 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3isu h LEU 1597CO -0.03 0.71 -0.03 -0.61 0.09 0.00 0.00 178.44 178.57 3isu h GLN 1598N 1.12 0.85 -0.28 1.13 5.75 -0.62 -0.09 115.11 122.98 3isu h GLN 1598Ca 0.30 -0.29 0.03 0.00 -0.15 0.00 0.00 58.65 58.54 3isu h GLN 1598Cb -0.11 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.34 3isu h GLN 1598CO -0.06 0.92 0.09 -0.07 -2.65 0.00 0.00 178.83 177.05 3isu h LEU 1599N 0.70 0.09 -0.98 -2.39 3.38 -0.85 -1.01 115.31 114.26 3isu h LEU 1599Ca 0.13 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3isu h LEU 1599Cb 0.55 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3isu h LEU 1599CO 0.03 0.09 0.43 -0.61 0.09 0.00 0.00 178.44 178.47 3isu h GLN 1600N 0.21 1.15 -0.51 1.13 4.15 -0.88 -0.66 115.11 119.71 3isu h GLN 1600Ca 0.12 -0.14 -0.09 0.00 0.77 0.00 0.00 58.65 59.31 3isu h GLN 1600Cb 0.10 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 3isu h GLN 1600CO -0.13 0.85 -0.06 -0.92 -1.93 0.00 0.00 178.83 176.64 3isu h TYR 1601N 1.15 0.97 0.00 3.99 3.20 -0.61 -2.08 116.97 123.59 3isu h TYR 1601Ca 0.29 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3isu h TYR 1601Cb 0.05 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.07 3isu h TYR 1601CO 0.01 0.91 0.00 0.39 -1.64 0.00 0.00 178.16 177.83 3isu n GLU 1602N -4.17 0.29 -1.31 1.82 1.02 -0.42 -4.90 120.64 112.96 3isu n GLU 1602Ca 0.02 0.06 -0.01 0.00 -0.02 0.00 0.00 57.16 57.22 3isu n GLU 1602Cb 0.35 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.27 3isu n GLU 1602CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3isu n GLY 1603N 0.79 0.41 3.70 0.62 0.00 -0.78 -5.03 105.19 104.91 3isu n GLY 1603Ca 0.10 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 3isu n GLY 1603CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3isu s VAL 1604N -2.03 4.96 0.03 1.61 1.01 -0.31 -4.96 120.40 120.70 3isu s VAL 1604Ca 0.00 1.63 -0.05 0.00 0.00 0.00 0.00 61.98 63.56 3isu s VAL 1604Cb 0.00 -4.13 -0.29 0.00 0.00 0.00 0.00 36.38 31.96 3isu s VAL 1604CO 0.00 0.16 0.98 0.00 0.00 0.00 0.00 175.10 176.24 3isu h ALA 1605N 6.95 0.16 -2.55 5.51 0.00 -1.96 -3.40 119.26 123.97 3isu h ALA 1605Ca -0.37 -1.00 -0.27 0.00 0.00 0.00 0.00 54.91 53.27 3isu h ALA 1605Cb 1.18 0.16 -0.17 0.00 0.00 0.00 0.00 17.79 18.97 3isu h ALA 1605CO 0.78 1.03 -0.71 0.14 0.00 0.00 0.00 179.25 180.48 3isu s VAL 1606N -2.63 0.76 0.09 0.00 -7.23 -1.26 -1.06 120.40 109.07 3isu s VAL 1606Ca -0.07 -1.70 0.04 0.00 -1.81 0.00 0.00 61.98 58.44 3isu s VAL 1606Cb 0.07 -1.40 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 3isu s VAL 1606CO 0.87 -0.69 -0.11 0.00 -0.31 0.00 0.00 175.10 174.87 3isu s MET 1607N -3.11 0.81 -0.16 4.82 0.00 -0.38 -4.87 119.30 116.41 3isu s MET 1607Ca 0.06 -1.07 -0.07 0.00 0.00 0.00 0.00 55.69 54.61 3isu s MET 1607Cb -0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 34.83 34.20 3isu s MET 1607CO -0.02 0.10 0.08 0.15 0.00 0.00 0.00 175.02 175.33 3isu s LYS 1608N -2.41 3.81 0.01 3.16 1.02 -1.26 -0.73 119.74 123.34 3isu s LYS 1608Ca 0.02 -0.30 0.06 0.00 0.02 0.00 0.00 55.97 55.77 3isu s LYS 1608Cb -0.05 -3.19 -0.03 0.00 -0.52 0.00 0.00 37.83 34.03 3isu s LYS 1608CO 0.01 0.41 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.18 3isu s LEU 1609N -0.01 2.69 -1.64 3.17 1.43 0.19 -4.70 118.68 119.81 3isu s LEU 1609Ca 0.07 -0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 52.68 3isu s LEU 1609Cb -0.12 -1.56 0.13 0.00 0.03 0.00 0.00 46.19 44.67 3isu s LEU 1609CO 0.01 0.28 0.79 0.49 0.23 0.00 0.00 176.35 178.15 3isu n PHE 1610N 1.78 -1.84 0.00 0.29 3.72 -1.26 -1.37 117.46 118.77 3isu n PHE 1610Ca -0.16 0.82 0.00 0.00 -0.05 0.00 0.00 57.45 58.05 3isu n PHE 1610Cb 0.52 -3.23 0.00 0.00 -0.94 0.00 0.00 39.48 35.84 3isu n PHE 1610CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3isu n ASN 1611N -2.72 0.00 -0.04 4.37 0.23 -1.26 -4.27 115.26 111.56 3isu n ASN 1611Ca 0.03 0.00 0.01 0.00 -0.53 0.00 0.00 54.58 54.09 3isu n ASN 1611Cb 0.52 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 3isu n ASN 1611CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3isu n LYS 1612N 0.00 1.97 -3.41 -3.83 5.02 -1.19 -4.97 118.16 111.75 3isu n LYS 1612Ca 0.00 -0.38 -0.39 0.00 -2.02 0.00 0.00 58.31 55.52 3isu n LYS 1612Cb 0.00 -0.86 -0.09 0.00 -0.02 0.00 0.00 35.03 34.06 3isu n LYS 1612CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3isu s ALA 1613N -0.53 3.56 -0.17 7.82 0.00 -0.47 -0.65 121.76 131.32 3isu s ALA 1613Ca 0.02 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 51.10 3isu s ALA 1613Cb 0.01 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 3isu s ALA 1613CO 0.04 -0.62 0.05 0.15 0.00 0.00 0.00 175.76 175.38 3isu s LYS 1614N 1.98 3.91 0.05 0.00 1.02 0.42 0.56 119.74 127.68 3isu s LYS 1614Ca 0.15 -0.36 0.08 0.00 0.02 0.00 0.00 55.97 55.86 3isu s LYS 1614Cb -0.16 -3.17 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 3isu s LYS 1614CO 0.10 0.30 -0.24 0.14 -0.92 0.00 0.00 175.35 174.73 3isu s VAL 1615N 0.29 1.90 -0.15 3.17 -7.23 0.09 -0.58 120.40 117.89 3isu s VAL 1615Ca 0.03 -1.30 -0.29 0.00 -1.81 0.00 0.00 61.98 58.61 3isu s VAL 1615Cb -0.12 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 3isu s VAL 1615CO 0.00 0.28 1.11 0.21 -0.31 0.00 0.00 175.10 176.39 3isu s ASN 1616N -1.22 7.10 0.11 4.85 3.84 0.55 -1.25 114.94 128.91 3isu s ASN 1616Ca 0.10 1.57 -0.20 0.00 0.21 0.00 0.00 52.86 54.53 3isu s ASN 1616Cb -0.09 -2.55 -0.08 0.00 -0.55 0.00 0.00 41.25 37.97 3isu s ASN 1616CO 0.02 -0.61 1.71 0.58 -2.79 0.00 0.00 177.10 176.01 3isu h VAL 1617N 5.28 1.09 -0.61 -5.21 2.07 -1.38 -1.01 116.25 116.48 3isu h VAL 1617Ca -0.27 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.03 3isu h VAL 1617Cb 1.11 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 3isu h VAL 1617CO 0.93 0.09 0.39 0.78 0.02 0.00 0.00 177.57 179.77 3isu h ASN 1618N 0.19 0.66 1.23 0.57 2.35 -1.89 -0.84 115.58 117.86 3isu h ASN 1618Ca 0.06 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.69 3isu h ASN 1618Cb 0.05 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 3isu h ASN 1618CO -0.01 0.47 -0.55 -0.07 -1.65 0.00 0.00 177.43 175.62 3isu h LEU 1619N 0.78 0.00 -0.20 1.61 3.38 -1.84 -1.76 115.31 117.28 3isu h LEU 1619Ca 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3isu h LEU 1619Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3isu h LEU 1619CO -0.07 0.55 0.02 0.25 0.09 0.00 0.00 178.44 179.28 3isu h LEU 1620N 0.00 0.33 -0.50 1.67 5.85 -0.94 0.15 115.31 121.87 3isu h LEU 1620Ca -0.01 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.51 3isu h LEU 1620Cb 1.31 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.19 3isu h LEU 1620CO 0.07 0.52 0.17 0.40 -0.34 0.00 0.00 178.44 179.26 3isu h ILE 1621N 0.12 0.81 -0.42 4.05 2.04 -1.01 -0.64 117.51 122.45 3isu h ILE 1621Ca 0.06 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3isu h ILE 1621Cb 0.34 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3isu h ILE 1621CO 0.01 0.06 0.26 0.15 0.00 0.00 0.00 178.15 178.63 3isu h PHE 1622N 0.33 0.55 -0.18 1.37 3.57 -1.17 -0.03 116.94 121.37 3isu h PHE 1622Ca 0.24 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 3isu h PHE 1622Cb 0.28 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3isu h PHE 1622CO -0.17 0.37 0.10 1.25 -2.23 0.00 0.00 178.31 177.63 3isu h LEU 1623N 0.56 0.23 -0.58 0.59 5.85 -0.50 -0.79 115.31 120.67 3isu h LEU 1623Ca 0.15 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.86 3isu h LEU 1623Cb -0.02 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3isu h LEU 1623CO -0.03 0.24 0.28 -0.07 -0.34 0.00 0.00 178.44 178.52 3isu h LEU 1624N 0.20 0.39 -0.01 2.25 3.38 -1.03 -0.61 115.31 119.88 3isu h LEU 1624Ca 0.07 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3isu h LEU 1624Cb 0.06 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3isu h LEU 1624CO -0.01 0.25 -0.13 0.78 0.09 0.00 0.00 178.44 179.43 3isu h ASN 1625N 0.53 -0.37 -0.37 -0.43 2.35 -0.72 0.41 115.58 116.99 3isu h ASN 1625Ca 0.27 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 56.04 3isu h ASN 1625Cb 0.21 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3isu h ASN 1625CO -0.20 -0.18 0.08 0.50 -1.65 0.00 0.00 177.43 175.98 3isu h LYS 1626N -0.21 0.59 0.00 0.81 3.64 -0.96 -1.75 116.57 118.69 3isu h LYS 1626Ca 0.05 -0.15 -0.18 0.00 -1.27 0.00 0.00 60.65 59.10 3isu h LYS 1626Cb 0.27 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3isu h LYS 1626CO -0.13 0.64 -1.12 0.87 -2.27 0.00 0.00 179.45 177.43 3isu h LYS 1627N 0.44 0.00 0.00 1.90 1.79 -1.08 -3.42 116.57 116.20 3isu h LYS 1627Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3isu h LYS 1627Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 3isu h LYS 1627CO 0.00 0.53 -0.65 1.19 -1.08 0.00 0.00 179.45 179.44 3isu n PHE 1628N -3.10 -0.09 0.26 -1.35 3.01 0.12 -4.85 117.46 111.46 3isu n PHE 1628Ca -0.06 0.02 0.15 0.00 1.01 0.00 0.00 57.45 58.57 3isu n PHE 1628Cb 0.87 0.12 0.45 0.00 -0.01 0.00 0.00 39.48 40.90 3isu n PHE 1628CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3isu h LEU 1629N 0.00 0.00 0.00 4.37 3.38 -1.29 -3.49 115.31 118.27 3isu h LEU 1629Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3isu h LEU 1629Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3isu h LEU 1629CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.07