#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxb s VAL 1496N 0.00 3.90 -0.21 3.17 1.01 -1.26 -2.96 120.40 124.05 3gxb s VAL 1496Ca 0.00 -0.45 -0.15 0.00 0.00 0.00 0.00 61.98 61.38 3gxb s VAL 1496Cb 0.00 -2.88 0.06 0.00 0.00 0.00 0.00 36.38 33.56 3gxb s VAL 1496CO 0.00 0.28 0.53 -0.22 0.00 0.00 0.00 175.10 175.68 3gxb s LEU 1497N 1.53 -0.25 -0.35 3.92 2.96 -1.25 -4.18 118.68 121.06 3gxb s LEU 1497Ca 0.05 1.11 -0.13 0.00 -0.22 0.00 0.00 54.13 54.94 3gxb s LEU 1497Cb -0.16 1.79 -0.01 0.00 0.50 0.00 0.00 46.19 48.32 3gxb s LEU 1497CO 0.01 -0.20 0.24 -1.81 -1.32 0.00 0.00 176.35 173.27 3gxb s ASP 1498N 0.93 5.97 -0.14 3.68 1.01 -0.58 -0.78 116.67 126.76 3gxb s ASP 1498Ca -0.05 -0.58 0.00 0.00 0.71 0.00 0.00 52.55 52.64 3gxb s ASP 1498Cb -0.05 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 3gxb s ASP 1498CO -0.08 -0.28 -0.15 -0.69 0.21 0.00 0.00 175.17 174.18 3gxb s VAL 1499N 1.69 2.83 -0.16 -1.27 1.01 0.33 -0.48 120.40 124.35 3gxb s VAL 1499Ca 0.05 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 3gxb s VAL 1499Cb -0.18 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 3gxb s VAL 1499CO 0.09 0.52 -0.10 0.00 0.00 0.00 0.00 175.10 175.62 3gxb s ALA 1500N 0.54 2.72 -0.19 5.51 0.00 0.45 -1.09 121.76 129.70 3gxb s ALA 1500Ca -0.09 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.83 3gxb s ALA 1500Cb -0.16 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 3gxb s ALA 1500CO 0.04 0.07 0.09 -0.06 0.00 0.00 0.00 175.76 175.90 3gxb s PHE 1501N 0.64 3.31 -0.23 0.00 0.08 0.22 -0.51 117.98 121.49 3gxb s PHE 1501Ca -0.05 0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.18 3gxb s PHE 1501Cb -0.15 -2.11 0.05 0.00 -0.57 0.00 0.00 43.02 40.25 3gxb s PHE 1501CO 0.03 0.21 -0.09 0.08 -0.10 0.00 0.00 175.22 175.35 3gxb s VAL 1502N 0.34 1.77 -0.19 -0.44 1.01 -0.29 -0.67 120.40 121.93 3gxb s VAL 1502Ca 0.05 -1.26 -0.06 0.00 0.00 0.00 0.00 61.98 60.71 3gxb s VAL 1502Cb -0.12 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3gxb s VAL 1502CO -0.01 0.04 0.03 -0.76 0.00 0.00 0.00 175.10 174.40 3gxb s LEU 1503N 1.31 3.49 0.03 3.92 2.01 0.20 -0.36 118.68 129.28 3gxb s LEU 1503Ca -0.05 -0.08 -0.30 0.00 0.01 0.00 0.00 54.13 53.70 3gxb s LEU 1503Cb -0.18 -1.88 -0.05 0.00 0.01 0.00 0.00 46.19 44.08 3gxb s LEU 1503CO -0.07 0.11 1.22 -0.70 1.01 0.00 0.00 176.35 177.92 3gxb s GLU 1504N 0.74 4.40 -0.27 1.70 2.12 -0.85 -1.08 118.70 125.46 3gxb s GLU 1504Ca 0.01 1.77 0.16 0.00 0.36 0.00 0.00 54.97 57.27 3gxb s GLU 1504Cb -0.14 -3.41 0.49 0.00 0.26 0.00 0.00 34.13 31.33 3gxb s GLU 1504CO 0.02 -0.33 1.15 0.41 -0.54 0.00 0.00 175.26 175.97 3gxb n GLY 1505N 3.29 3.87 3.89 -1.50 0.00 0.39 -4.88 105.19 110.25 3gxb n GLY 1505Ca 0.10 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 3gxb n GLY 1505CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gxb s SER 1506N -3.71 4.65 0.40 1.61 1.04 -1.25 -1.16 113.70 115.28 3gxb s SER 1506Ca 0.38 0.88 0.13 0.00 0.48 0.00 0.00 55.95 57.82 3gxb s SER 1506Cb 0.36 -1.46 0.96 0.00 0.10 0.00 0.00 66.02 65.99 3gxb s SER 1506CO -0.00 -1.82 1.89 0.44 0.98 0.00 0.00 173.24 174.73 3gxb h ASP 1507N -1.00 0.49 0.29 7.02 3.32 -0.95 -1.73 116.42 123.86 3gxb h ASP 1507Ca -0.46 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.54 3gxb h ASP 1507Cb 1.31 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 3gxb h ASP 1507CO 0.65 0.25 -0.35 0.11 -1.72 0.00 0.00 179.24 178.18 3gxb h LYS 1508N 0.52 0.09 0.35 3.56 1.57 -1.94 -2.96 116.57 117.76 3gxb h LYS 1508Ca 0.41 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.14 3gxb h LYS 1508Cb 0.83 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3gxb h LYS 1508CO -0.16 0.43 -0.17 0.82 -0.57 0.00 0.00 179.45 179.80 3gxb h ILE 1509N 0.08 0.44 0.00 1.86 1.08 -1.70 -3.51 117.51 115.76 3gxb h ILE 1509Ca 0.01 -0.71 0.00 0.00 -0.39 0.00 0.00 64.86 63.77 3gxb h ILE 1509Cb 0.65 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 35.09 3gxb h ILE 1509CO 0.05 0.10 0.00 0.61 -0.69 0.00 0.00 178.15 178.21 3gxb n GLY 1510N 0.11 -0.85 0.20 5.37 0.00 -0.84 -4.32 105.19 104.86 3gxb n GLY 1510Ca -0.09 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 3gxb n GLY 1510CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gxb h GLU 1511N 0.00 0.63 -0.04 1.61 4.81 -1.90 -1.11 114.58 118.57 3gxb h GLU 1511Ca 0.00 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3gxb h GLU 1511Cb 0.00 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 3gxb h GLU 1511CO 0.00 0.68 -0.17 0.00 -0.73 0.00 0.00 179.01 178.79 3gxb h ALA 1512N 0.92 -0.17 -0.29 2.92 0.00 -2.00 -0.34 119.26 120.30 3gxb h ALA 1512Ca 0.12 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3gxb h ALA 1512Cb 0.35 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3gxb h ALA 1512CO 0.01 -0.65 -0.25 -0.44 0.00 0.00 0.00 179.25 177.92 3gxb h ASP 1513N -0.25 0.57 -0.68 0.00 3.32 -1.74 -2.81 116.42 114.82 3gxb h ASP 1513Ca 0.07 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3gxb h ASP 1513Cb 0.35 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3gxb h ASP 1513CO -0.19 0.81 0.43 0.15 -1.72 0.00 0.00 179.24 178.72 3gxb h PHE 1514N 0.50 0.87 -0.96 4.55 3.57 -0.77 -1.70 116.94 122.99 3gxb h PHE 1514Ca 0.07 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.69 3gxb h PHE 1514Cb 0.69 -0.29 -0.08 0.00 2.79 0.00 0.00 35.95 39.07 3gxb h PHE 1514CO 0.03 0.57 0.61 -0.91 -2.23 0.00 0.00 178.31 176.38 3gxb h ASN 1515N 0.92 0.87 0.50 0.41 4.21 -0.83 -0.73 115.58 120.93 3gxb h ASN 1515Ca 0.25 0.04 -0.08 0.00 1.21 0.00 0.00 56.30 57.71 3gxb h ASN 1515Cb -0.07 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 36.98 3gxb h ASN 1515CO -0.05 0.48 -0.40 0.03 -1.29 0.00 0.00 177.43 176.21 3gxb h ARG 1516N 0.95 0.00 -0.45 0.81 3.08 -1.20 -0.74 114.38 116.83 3gxb h ARG 1516Ca 0.46 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.39 3gxb h ARG 1516Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3gxb h ARG 1516CO -0.23 0.40 -0.19 0.77 -1.07 0.00 0.00 179.97 179.65 3gxb h SER 1517N 0.00 0.94 -0.58 7.04 0.02 -0.30 -1.83 113.55 118.84 3gxb h SER 1517Ca -0.00 -0.39 -0.05 0.00 -0.84 0.00 0.00 61.79 60.50 3gxb h SER 1517Cb 0.75 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 3gxb h SER 1517CO 0.05 1.12 0.16 0.11 -1.14 0.00 0.00 176.83 177.14 3gxb h LYS 1518N 0.76 0.91 -0.26 3.45 1.57 -0.82 -1.65 116.57 120.52 3gxb h LYS 1518Ca 0.10 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3gxb h LYS 1518Cb 0.75 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3gxb h LYS 1518CO 0.06 0.83 0.17 1.49 -0.57 0.00 0.00 179.45 181.43 3gxb h GLU 1519N 0.82 0.34 -0.32 3.15 4.81 -1.10 -0.12 114.58 122.15 3gxb h GLU 1519Ca 0.18 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.45 3gxb h GLU 1519Cb 0.32 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 3gxb h GLU 1519CO -0.00 0.22 -0.03 0.35 -0.73 0.00 0.00 179.01 178.82 3gxb h PHE 1520N 0.35 -0.08 -0.60 0.92 3.57 -1.18 -1.95 116.94 117.97 3gxb h PHE 1520Ca 0.10 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 3gxb h PHE 1520Cb -0.03 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3gxb h PHE 1520CO -0.06 -0.09 0.03 1.98 -2.23 0.00 0.00 178.31 177.93 3gxb h MET 1521N 0.05 1.04 -0.58 1.11 4.05 -0.98 -2.49 114.93 117.12 3gxb h MET 1521Ca 0.15 -0.32 0.04 0.00 -0.28 0.00 0.00 59.70 59.30 3gxb h MET 1521Cb 0.22 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 30.88 3gxb h MET 1521CO -0.29 1.01 0.33 0.93 0.23 0.00 0.00 176.91 179.12 3gxb h GLU 1522N 0.93 0.62 -0.94 0.39 5.08 -0.82 -1.06 114.58 118.78 3gxb h GLU 1522Ca 0.17 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 3gxb h GLU 1522Cb 0.52 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 3gxb h GLU 1522CO 0.02 0.41 0.61 0.93 -1.00 0.00 0.00 179.01 179.98 3gxb h GLU 1523N 0.64 1.12 0.26 2.33 4.39 -1.09 -0.66 114.58 121.57 3gxb h GLU 1523Ca 0.24 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 3gxb h GLU 1523Cb 0.09 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 3gxb h GLU 1523CO -0.13 0.74 -0.12 0.28 -1.16 0.00 0.00 179.01 178.61 3gxb h VAL 1524N 1.16 0.77 -0.87 3.13 2.07 -1.01 -3.22 116.25 118.29 3gxb h VAL 1524Ca 0.39 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3gxb h VAL 1524Cb 0.06 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3gxb h VAL 1524CO -0.14 0.14 0.57 0.40 0.02 0.00 0.00 177.57 178.56 3gxb h ILE 1525N -0.72 1.20 -0.71 4.57 2.04 -1.07 -2.10 117.51 120.72 3gxb h ILE 1525Ca -0.04 -0.40 0.13 0.00 1.00 0.00 0.00 64.86 65.56 3gxb h ILE 1525Cb 0.49 -0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 3gxb h ILE 1525CO 0.06 0.21 0.47 -0.61 0.00 0.00 0.00 178.15 178.28 3gxb h GLN 1526N 1.15 0.43 -0.45 2.37 5.75 -1.19 -1.81 115.11 121.37 3gxb h GLN 1526Ca 0.32 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.80 3gxb h GLN 1526Cb -0.10 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.35 3gxb h GLN 1526CO -0.08 0.29 0.00 0.54 -2.65 0.00 0.00 178.83 176.93 3gxb n ARG 1527N -4.48 2.55 -3.49 1.69 1.74 -0.82 -4.93 116.66 108.91 3gxb n ARG 1527Ca 0.13 -2.36 -0.35 0.00 -0.77 0.00 0.00 57.85 54.50 3gxb n ARG 1527Cb 0.46 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 30.32 3gxb n ARG 1527CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3gxb s MET 1528N -1.40 3.84 -1.39 5.56 -1.94 -0.68 -5.00 119.30 118.29 3gxb s MET 1528Ca 0.40 0.29 -0.15 0.00 -1.71 0.00 0.00 55.69 54.53 3gxb s MET 1528Cb 0.23 -2.95 0.02 0.00 2.01 0.00 0.00 34.83 34.14 3gxb s MET 1528CO 0.32 0.51 2.22 -3.47 -0.01 0.00 0.00 175.02 174.59 3gxb n ASP 1529N 0.79 3.86 -4.71 3.03 2.03 -1.26 -4.94 116.55 115.34 3gxb n ASP 1529Ca -0.06 -2.81 -0.42 0.00 0.52 0.00 0.00 54.79 52.01 3gxb n ASP 1529Cb 0.52 -1.60 -0.03 0.00 -0.72 0.00 0.00 41.12 39.29 3gxb n ASP 1529CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3gxb s VAL 1530N 3.37 4.76 -0.10 5.18 1.01 -1.26 -1.99 120.40 131.37 3gxb s VAL 1530Ca 0.49 2.03 -0.32 0.00 0.00 0.00 0.00 61.98 64.17 3gxb s VAL 1530Cb 0.14 -4.30 0.12 0.00 0.00 0.00 0.00 36.38 32.34 3gxb s VAL 1530CO -0.07 0.19 1.15 -0.83 0.00 0.00 0.00 175.10 175.54 3gxb s GLY 1531N 0.82 -0.34 0.40 4.51 0.00 -0.77 -4.44 107.32 107.50 3gxb s GLY 1531Ca 0.51 1.20 0.07 0.00 0.00 0.00 0.00 44.72 46.50 3gxb s GLY 1531CO 0.28 0.37 2.04 -1.61 0.00 0.00 0.00 173.10 174.19 3gxb h GLN 1532N 2.00 0.53 -0.41 2.90 5.75 -1.80 -1.60 115.11 122.48 3gxb h GLN 1532Ca -0.17 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.29 3gxb h GLN 1532Cb 1.19 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.63 3gxb h GLN 1532CO 0.26 0.37 0.00 -0.40 -2.65 0.00 0.00 178.83 176.41 3gxb n ASP 1533N -4.45 4.29 0.00 -0.69 5.75 -1.26 -4.95 116.55 115.23 3gxb n ASP 1533Ca 0.03 -2.75 0.00 0.00 -0.01 0.00 0.00 54.79 52.06 3gxb n ASP 1533Cb 0.08 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 3gxb n ASP 1533CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3gxb n SER 1534N 0.17 0.00 -4.70 -1.12 7.64 -0.60 -4.83 113.62 110.19 3gxb n SER 1534Ca 0.22 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.68 3gxb n SER 1534Cb 0.89 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.06 3gxb n SER 1534CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3gxb s ILE 1535N 3.86 4.21 -0.04 0.44 1.01 -0.84 -3.80 121.20 126.04 3gxb s ILE 1535Ca 0.00 1.56 -0.02 0.00 0.00 0.00 0.00 60.65 62.19 3gxb s ILE 1535Cb 0.00 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 3gxb s ILE 1535CO 0.00 0.05 0.11 -1.00 0.00 0.00 0.00 174.94 174.10 3gxb s HIS 1536N 1.70 3.40 -0.04 3.97 3.76 0.04 -1.85 115.29 126.27 3gxb s HIS 1536Ca 0.57 0.31 0.04 0.00 -0.15 0.00 0.00 55.06 55.82 3gxb s HIS 1536Cb -0.26 -1.81 -0.00 0.00 1.11 0.00 0.00 32.58 31.62 3gxb s HIS 1536CO 0.25 0.60 -0.15 0.08 -0.85 0.00 0.00 174.74 174.68 3gxb s VAL 1537N -1.15 1.25 0.11 -0.90 1.01 -1.26 -0.51 120.40 118.94 3gxb s VAL 1537Ca 0.21 -0.61 0.10 0.00 0.00 0.00 0.00 61.98 61.68 3gxb s VAL 1537Cb -0.12 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3gxb s VAL 1537CO 0.12 0.37 -0.26 0.28 0.00 0.00 0.00 175.10 175.61 3gxb s THR 1538N 0.10 2.12 -0.10 3.92 -1.32 -0.25 -4.25 115.64 115.86 3gxb s THR 1538Ca -0.04 -1.64 0.01 0.00 -1.21 0.00 0.00 61.69 58.81 3gxb s THR 1538Cb -0.11 -1.87 0.02 0.00 -1.51 0.00 0.00 72.50 69.03 3gxb s THR 1538CO 0.02 0.11 -0.13 -0.69 -2.21 0.00 0.00 174.62 171.72 3gxb s VAL 1539N -1.03 1.33 0.03 5.08 1.01 0.30 -0.89 120.40 126.23 3gxb s VAL 1539Ca 0.12 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.64 3gxb s VAL 1539Cb -0.10 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 3gxb s VAL 1539CO 0.05 0.41 -0.21 -0.76 0.00 0.00 0.00 175.10 174.58 3gxb s LEU 1540N 1.05 2.41 -0.04 3.92 1.43 0.16 -0.66 118.68 126.94 3gxb s LEU 1540Ca -0.06 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 3gxb s LEU 1540Cb -0.15 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 3gxb s LEU 1540CO -0.02 0.27 -0.15 -1.58 0.23 0.00 0.00 176.35 175.10 3gxb s GLN 1541N -1.24 2.46 0.01 1.70 0.74 -0.37 -0.63 119.66 122.32 3gxb s GLN 1541Ca 0.13 -0.72 -0.02 0.00 0.05 0.00 0.00 55.36 54.79 3gxb s GLN 1541Cb -0.10 -2.35 -0.01 0.00 1.10 0.00 0.00 33.01 31.65 3gxb s GLN 1541CO 0.03 0.62 0.03 1.52 -0.55 0.00 0.00 175.29 176.94 3gxb s TYR 1542N -0.73 0.13 0.00 1.67 -0.85 -0.24 -0.19 117.35 117.14 3gxb s TYR 1542Ca 0.12 -0.28 0.00 0.00 -0.52 0.00 0.00 57.07 56.39 3gxb s TYR 1542Cb -0.11 -0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.13 3gxb s TYR 1542CO 0.01 -0.17 0.00 -1.13 -1.52 0.00 0.00 175.55 172.73 3gxb n SER 1543N 1.91 0.00 0.17 -0.18 3.41 -1.26 -0.46 113.62 117.21 3gxb n SER 1543Ca -0.21 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.46 3gxb n SER 1543Cb 0.56 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.65 3gxb n SER 1543CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 3gxb h TYR 1544N 0.00 0.00 -4.37 7.33 -0.00 -1.82 0.10 116.97 118.22 3gxb h TYR 1544Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.53 3gxb h TYR 1544Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 36.73 36.58 3gxb h TYR 1544CO 0.00 0.34 -0.65 0.00 -0.00 0.00 0.00 178.16 177.85 3gxb s MET 1545N -3.14 0.99 -0.17 0.10 0.23 -1.26 -4.84 119.30 111.21 3gxb s MET 1545Ca 0.04 -1.48 -0.09 0.00 -1.03 0.00 0.00 55.69 53.13 3gxb s MET 1545Cb 0.07 0.18 -0.05 0.00 -1.53 0.00 0.00 34.83 33.51 3gxb s MET 1545CO 0.71 -0.26 0.12 0.08 -2.03 0.00 0.00 175.02 173.63 3gxb s VAL 1546N -4.02 5.32 -0.14 5.16 1.01 -1.26 -4.37 120.40 122.10 3gxb s VAL 1546Ca 0.26 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 3gxb s VAL 1546Cb 0.07 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 3gxb s VAL 1546CO 0.03 0.49 -0.12 -0.89 0.00 0.00 0.00 175.10 174.62 3gxb s THR 1547N -0.03 3.06 -0.48 3.92 2.01 0.74 -5.01 115.64 119.85 3gxb s THR 1547Ca 0.09 -0.65 -0.25 0.00 0.31 0.00 0.00 61.69 61.19 3gxb s THR 1547Cb -0.11 -2.30 0.03 0.00 0.01 0.00 0.00 72.50 70.12 3gxb s THR 1547CO -0.00 0.51 0.94 -0.69 -0.69 0.00 0.00 174.62 174.69 3gxb s VAL 1548N 0.54 4.44 -0.09 3.82 1.01 -1.26 -1.24 120.40 127.61 3gxb s VAL 1548Ca -0.08 0.67 -0.00 0.00 0.00 0.00 0.00 61.98 62.57 3gxb s VAL 1548Cb -0.16 -4.47 -0.25 0.00 0.00 0.00 0.00 36.38 31.50 3gxb s VAL 1548CO 0.04 -0.91 0.48 -0.62 0.00 0.00 0.00 175.10 174.09 3gxb n GLU 1549N 7.28 0.72 -3.67 2.72 -0.58 0.16 -4.82 120.64 122.46 3gxb n GLU 1549Ca 0.05 0.28 -0.14 0.00 -0.42 0.00 0.00 57.16 56.94 3gxb n GLU 1549Cb 0.48 -1.74 -0.13 0.00 -0.57 0.00 0.00 31.44 29.48 3gxb n GLU 1549CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 3gxb s TYR 1550N -2.57 -0.41 0.36 -0.32 6.14 -0.88 -4.91 117.35 114.76 3gxb s TYR 1550Ca -0.16 0.95 -0.07 0.00 0.64 0.00 0.00 57.07 58.43 3gxb s TYR 1550Cb 0.07 -0.04 -0.05 0.00 0.42 0.00 0.00 41.96 42.35 3gxb s TYR 1550CO 0.79 -0.35 0.68 -1.25 0.64 0.00 0.00 175.55 176.06 3gxb s PRO 1551N 2.37 3.68 0.44 4.97 0.04 -1.26 -0.54 135.00 144.70 3gxb s PRO 1551Ca 0.01 0.22 0.13 0.00 0.04 0.00 0.00 61.00 61.40 3gxb s PRO 1551Cb -0.12 -2.50 1.04 0.00 0.04 0.00 0.00 34.50 32.95 3gxb s PRO 1551CO -0.08 0.05 2.01 0.74 0.04 0.00 0.00 177.00 179.76 3gxb h PHE 1552N 1.29 0.39 -0.07 0.56 0.05 -1.91 -2.95 116.94 114.29 3gxb h PHE 1552Ca -0.47 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.33 3gxb h PHE 1552Cb 1.19 -0.13 0.00 0.00 2.00 0.00 0.00 35.95 39.01 3gxb h PHE 1552CO 0.59 0.20 0.00 -1.13 -0.18 0.00 0.00 178.31 177.79 3gxb n SER 1553N -4.47 0.86 -4.97 2.17 3.41 -1.26 -4.77 113.62 104.59 3gxb n SER 1553Ca 0.07 -1.52 -0.21 0.00 -0.26 0.00 0.00 58.87 56.96 3gxb n SER 1553Cb 0.30 -0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.22 3gxb n SER 1553CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3gxb s GLU 1554N -1.91 3.03 0.12 4.33 2.02 -1.12 -5.03 118.70 120.15 3gxb s GLU 1554Ca 0.32 -0.77 -0.35 0.00 0.02 0.00 0.00 54.97 54.20 3gxb s GLU 1554Cb 0.16 -2.67 -0.15 0.00 0.10 0.00 0.00 34.13 31.57 3gxb s GLU 1554CO 0.26 -0.17 1.50 0.00 0.02 0.00 0.00 175.26 176.86 3gxb n ALA 1555N -1.91 0.44 -2.38 5.21 0.00 -1.26 -4.85 120.51 115.77 3gxb n ALA 1555Ca 0.02 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 53.50 3gxb n ALA 1555Cb 0.58 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3gxb n ALA 1555CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3gxb n GLN 1556N 3.16 3.95 -4.84 0.00 1.13 -1.26 -4.80 117.38 114.72 3gxb n GLN 1556Ca 0.18 -3.69 -0.33 0.00 -1.94 0.00 0.00 57.00 51.22 3gxb n GLN 1556Cb 0.25 -2.81 -0.15 0.00 0.11 0.00 0.00 30.24 27.65 3gxb n GLN 1556CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3gxb s SER 1557N 0.33 3.90 0.19 1.08 0.15 -1.26 -2.77 113.70 115.33 3gxb s SER 1557Ca 0.41 -0.35 -0.11 0.00 0.70 0.00 0.00 55.95 56.59 3gxb s SER 1557Cb 0.11 -1.55 0.17 0.00 -1.71 0.00 0.00 66.02 63.04 3gxb s SER 1557CO 0.00 0.17 1.81 0.50 1.20 0.00 0.00 173.24 176.92 3gxb h LYS 1558N 6.64 0.61 -0.51 5.44 3.64 -1.91 -2.00 116.57 128.48 3gxb h LYS 1558Ca -0.26 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.12 3gxb h LYS 1558Cb 1.21 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 3gxb h LYS 1558CO 0.54 0.40 0.27 0.78 -2.27 0.00 0.00 179.45 179.18 3gxb h GLY 1559N 0.62 0.72 0.90 5.01 0.00 -1.96 -0.32 103.07 108.04 3gxb h GLY 1559Ca 0.25 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 3gxb h GLY 1559CO -0.15 0.14 0.01 -0.55 0.00 0.00 0.00 176.54 175.99 3gxb h ASP 1560N 0.54 0.55 -0.42 0.19 5.19 -1.88 -2.51 116.42 118.07 3gxb h ASP 1560Ca 0.22 -0.30 -0.04 0.00 -0.62 0.00 0.00 57.03 56.29 3gxb h ASP 1560Cb 0.10 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 3gxb h ASP 1560CO -0.14 0.71 0.13 0.40 -3.12 0.00 0.00 179.24 177.22 3gxb h ILE 1561N 0.37 1.22 -0.66 0.35 2.04 -1.17 -1.91 117.51 117.74 3gxb h ILE 1561Ca 0.09 -0.74 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 3gxb h ILE 1561Cb 0.42 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3gxb h ILE 1561CO 0.01 0.26 0.11 -0.07 0.00 0.00 0.00 178.15 178.47 3gxb h LEU 1562N 0.54 1.04 -0.41 1.44 3.38 -1.06 0.16 115.31 120.41 3gxb h LEU 1562Ca 0.14 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3gxb h LEU 1562Cb 0.28 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3gxb h LEU 1562CO -0.00 1.03 0.11 -0.61 0.09 0.00 0.00 178.44 179.05 3gxb h GLN 1563N 1.02 0.64 -0.72 1.13 5.75 -1.35 -1.11 115.11 120.47 3gxb h GLN 1563Ca 0.20 -0.15 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 3gxb h GLN 1563Cb 0.43 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 3gxb h GLN 1563CO 0.01 0.65 0.39 0.00 -2.65 0.00 0.00 178.83 177.23 3gxb h ARG 1564N 0.51 1.01 -0.38 1.69 2.47 -1.04 -2.43 114.38 116.21 3gxb h ARG 1564Ca 0.13 -0.12 0.03 0.00 -1.26 0.00 0.00 59.98 58.76 3gxb h ARG 1564Cb 0.29 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.39 3gxb h ARG 1564CO -0.00 0.76 0.19 0.28 0.56 0.00 0.00 179.97 181.75 3gxb h VAL 1565N 0.99 0.97 -0.44 2.04 2.07 -0.45 -2.33 116.25 119.10 3gxb h VAL 1565Ca 0.25 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.67 3gxb h VAL 1565Cb 0.05 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3gxb h VAL 1565CO -0.04 0.07 0.29 0.03 0.02 0.00 0.00 177.57 177.94 3gxb h ARG 1566N 0.38 0.45 -0.00 1.57 3.08 -0.95 -2.24 114.38 116.67 3gxb h ARG 1566Ca 0.16 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3gxb h ARG 1566Cb 0.08 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3gxb h ARG 1566CO -0.12 0.30 -0.11 0.39 -1.07 0.00 0.00 179.97 179.36 3gxb n GLU 1567N -4.48 0.66 -1.78 0.04 1.02 -0.92 -4.90 120.64 110.29 3gxb n GLU 1567Ca 0.05 -0.21 -0.42 0.00 -0.02 0.00 0.00 57.16 56.55 3gxb n GLU 1567Cb 0.16 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 3gxb n GLU 1567CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3gxb s ILE 1568N -2.49 2.14 -0.18 -3.67 1.01 -0.84 -4.98 121.20 112.18 3gxb s ILE 1568Ca 0.28 0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.97 3gxb s ILE 1568Cb 0.20 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 3gxb s ILE 1568CO 0.48 0.01 0.06 -0.13 0.00 0.00 0.00 174.94 175.36 3gxb s ARG 1569N 0.87 3.98 -0.12 2.79 0.52 -1.26 -5.06 118.95 120.66 3gxb s ARG 1569Ca 0.72 -0.34 -0.38 0.00 -0.52 0.00 0.00 55.73 55.21 3gxb s ARG 1569Cb -0.48 -3.21 -0.15 0.00 0.52 0.00 0.00 34.95 31.62 3gxb s ARG 1569CO 0.35 0.28 1.64 0.98 0.02 0.00 0.00 175.30 178.56 3gxb n TYR 1570N 3.53 1.95 0.00 -0.53 9.36 -1.26 -4.90 117.16 125.31 3gxb n TYR 1570Ca -0.17 0.48 -0.01 0.00 3.32 0.00 0.00 57.90 61.52 3gxb n TYR 1570Cb 0.52 -2.46 -0.11 0.00 -0.63 0.00 0.00 39.34 36.67 3gxb n TYR 1570CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3gxb n GLN 1571N 4.59 0.64 -0.38 2.98 10.64 -1.26 -5.09 117.38 129.50 3gxb n GLN 1571Ca 0.23 0.13 0.05 0.00 -1.83 0.00 0.00 57.00 55.58 3gxb n GLN 1571Cb 0.18 -1.72 -0.01 0.00 -0.86 0.00 0.00 30.24 27.83 3gxb n GLN 1571CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3gxb n GLY 1572N 1.45 -1.72 0.00 2.61 0.00 -0.31 -5.02 105.19 102.20 3gxb n GLY 1572Ca -0.14 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3gxb n GLY 1572CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxb n GLY 1573N -1.31 4.46 0.63 -0.02 0.00 -1.26 -4.51 105.19 103.19 3gxb n GLY 1573Ca 0.00 -1.04 0.11 0.00 0.00 0.00 0.00 46.02 45.10 3gxb n GLY 1573CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3gxb n ASN 1574N 0.00 1.91 -4.20 1.61 0.23 -1.26 -0.36 115.26 113.20 3gxb n ASN 1574Ca 0.00 -1.72 -0.12 0.00 -0.53 0.00 0.00 54.58 52.21 3gxb n ASN 1574Cb 0.00 -0.10 -0.10 0.00 -2.08 0.00 0.00 39.78 37.50 3gxb n ASN 1574CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 3gxb s ARG 1575N -1.80 0.96 -0.74 -3.83 0.52 -1.26 -4.99 118.95 107.79 3gxb s ARG 1575Ca 0.34 -1.43 0.04 0.00 -0.52 0.00 0.00 55.73 54.16 3gxb s ARG 1575Cb 0.19 -0.21 0.21 0.00 0.52 0.00 0.00 34.95 35.65 3gxb s ARG 1575CO 0.28 -0.08 0.66 2.41 0.02 0.00 0.00 175.30 178.60 3gxb n THR 1576N -0.13 2.27 -1.71 0.02 -1.04 -1.26 -3.08 114.28 109.35 3gxb n THR 1576Ca -0.09 -5.07 -0.41 0.00 -2.04 0.00 0.00 64.05 56.44 3gxb n THR 1576Cb 0.62 -2.20 -0.01 0.00 -1.82 0.00 0.00 70.33 66.92 3gxb n THR 1576CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3gxb n ASN 1577N 1.68 5.75 -0.37 8.00 3.02 0.36 -0.55 115.26 133.17 3gxb n ASN 1577Ca 0.23 -2.82 0.00 0.00 -0.03 0.00 0.00 54.58 51.96 3gxb n ASN 1577Cb 0.37 -1.58 0.15 0.00 -0.61 0.00 0.00 39.78 38.10 3gxb n ASN 1577CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3gxb h THR 1578N 3.57 1.18 -0.98 3.41 2.02 -1.91 -2.16 112.91 118.05 3gxb h THR 1578Ca 0.64 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 67.42 3gxb h THR 1578Cb 0.51 -0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 66.66 3gxb h THR 1578CO 1.79 0.23 0.64 1.23 0.37 0.00 0.00 175.52 179.79 3gxb h GLY 1579N 1.27 1.42 1.02 2.16 0.00 -1.84 -1.26 103.07 105.82 3gxb h GLY 1579Ca 0.40 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 3gxb h GLY 1579CO -0.12 0.43 0.06 -2.00 0.00 0.00 0.00 176.54 174.91 3gxb h LEU 1580N 1.25 0.89 -0.39 3.11 5.85 -1.67 -0.92 115.31 123.44 3gxb h LEU 1580Ca 0.38 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3gxb h LEU 1580Cb -0.03 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3gxb h LEU 1580CO -0.12 0.94 0.21 0.00 -0.34 0.00 0.00 178.44 179.13 3gxb h ALA 1581N 0.98 0.50 -0.53 1.25 0.00 -1.05 -1.28 119.26 119.13 3gxb h ALA 1581Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gxb h ALA 1581Cb 0.45 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3gxb h ALA 1581CO 0.02 0.03 0.33 -0.07 0.00 0.00 0.00 179.25 179.56 3gxb h LEU 1582N 0.49 0.62 -1.30 0.00 3.38 -1.13 -2.53 115.31 114.83 3gxb h LEU 1582Ca 0.14 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3gxb h LEU 1582Cb 0.07 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3gxb h LEU 1582CO -0.02 0.48 0.48 0.03 0.09 0.00 0.00 178.44 179.50 3gxb h ARG 1583N 0.71 0.89 -0.76 1.13 3.08 -0.90 -2.02 114.38 116.51 3gxb h ARG 1583Ca 0.19 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3gxb h ARG 1583Cb -0.04 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.77 3gxb h ARG 1583CO -0.04 0.59 0.44 -0.92 -1.07 0.00 0.00 179.97 178.97 3gxb h TYR 1584N 0.92 1.02 -0.59 3.04 3.20 -0.82 -0.34 116.97 123.41 3gxb h TYR 1584Ca 0.29 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.15 3gxb h TYR 1584Cb 0.01 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 37.92 3gxb h TYR 1584CO -0.00 0.70 0.39 -0.07 -1.64 0.00 0.00 178.16 177.54 3gxb h LEU 1585N 1.04 0.67 -0.15 2.82 3.38 -1.12 0.14 115.31 122.10 3gxb h LEU 1585Ca 0.27 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 58.00 3gxb h LEU 1585Cb -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3gxb h LEU 1585CO -0.05 0.48 -0.98 0.77 0.09 0.00 0.00 178.44 178.76 3gxb h SER 1586N 0.79 0.46 0.77 -0.43 4.64 -1.33 0.35 113.55 118.79 3gxb h SER 1586Ca 0.22 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3gxb h SER 1586Cb -0.09 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 3gxb h SER 1586CO -0.05 1.20 -0.68 0.47 -0.87 0.00 0.00 176.83 176.90 3gxb n ASP 1587N -3.69 0.67 0.01 4.97 8.00 -0.15 -4.64 116.55 121.71 3gxb n ASP 1587Ca -0.06 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.48 3gxb n ASP 1587Cb 0.86 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 42.23 3gxb n ASP 1587CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3gxb n HIS 1588N -2.05 -0.10 0.05 1.24 8.25 0.48 -4.91 115.22 118.19 3gxb n HIS 1588Ca 0.03 0.02 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 3gxb n HIS 1588Cb 0.43 0.39 -0.06 0.00 1.12 0.00 0.00 29.99 31.87 3gxb n HIS 1588CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3gxb h SER 1589N 0.00 -1.22 -0.01 0.41 0.02 -1.37 -2.46 113.55 108.92 3gxb h SER 1589Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3gxb h SER 1589Cb 0.00 0.48 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3gxb h SER 1589CO 0.00 -0.44 0.00 0.49 -1.14 0.00 0.00 176.83 175.74 3gxb n PHE 1590N -5.44 0.01 1.15 3.45 3.01 0.10 -2.23 117.46 117.51 3gxb n PHE 1590Ca -0.05 -0.01 0.12 0.00 1.01 0.00 0.00 57.45 58.52 3gxb n PHE 1590Cb 0.36 0.00 0.25 0.00 -0.01 0.00 0.00 39.48 40.08 3gxb n PHE 1590CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3gxb n LEU 1591N -0.66 1.23 -0.01 4.37 4.77 -0.92 -4.42 117.00 121.34 3gxb n LEU 1591Ca 0.11 -0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 55.58 3gxb n LEU 1591Cb 0.06 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 3gxb n LEU 1591CO 0.08 0.24 0.66 0.58 -1.33 0.00 0.00 177.39 177.62 3gxb h VAL 1592N 1.34 1.35 -2.68 4.08 2.07 -1.52 -3.43 116.25 117.46 3gxb h VAL 1592Ca 0.00 -1.03 -0.52 0.00 0.82 0.00 0.00 66.70 65.96 3gxb h VAL 1592Cb 0.57 2.02 0.06 0.00 -1.52 0.00 0.00 31.29 32.42 3gxb h VAL 1592CO 0.00 0.27 1.01 -1.20 0.02 0.00 0.00 177.57 177.67 3gxb n SER 1593N -4.86 4.00 -4.26 0.57 7.64 -1.26 -5.00 113.62 110.45 3gxb n SER 1593Ca -0.08 1.06 -0.14 0.00 1.01 0.00 0.00 58.87 60.72 3gxb n SER 1593Cb 0.23 -1.58 -0.10 0.00 -1.01 0.00 0.00 64.21 61.75 3gxb n SER 1593CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3gxb s GLN 1594N 1.11 1.26 6.39 1.43 -1.52 -1.26 -4.42 119.66 122.65 3gxb s GLN 1594Ca 0.75 -1.66 0.00 0.00 -1.95 0.00 0.00 55.36 52.50 3gxb s GLN 1594Cb -0.50 -0.10 0.00 0.00 -0.22 0.00 0.00 33.01 32.19 3gxb s GLN 1594CO 0.33 -0.28 0.00 0.41 -0.25 0.00 0.00 175.29 175.50 3gxb n GLY 1595N -0.34 2.63 0.36 3.09 0.00 -1.26 -2.84 105.19 106.82 3gxb n GLY 1595Ca -0.01 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.67 3gxb n GLY 1595CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3gxb h ASP 1596N 5.77 0.85 0.37 1.61 2.03 -2.03 -2.63 116.42 122.39 3gxb h ASP 1596Ca 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.28 3gxb h ASP 1596Cb 0.00 -0.18 -0.00 0.00 -0.83 0.00 0.00 39.33 38.31 3gxb h ASP 1596CO 0.00 0.56 -0.12 -0.09 -1.03 0.00 0.00 179.24 178.55 3gxb h ARG 1597N 0.97 0.00 -0.23 4.15 2.43 -1.90 -2.42 114.38 117.38 3gxb h ARG 1597Ca 0.36 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.59 3gxb h ARG 1597Cb 0.17 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3gxb h ARG 1597CO -0.12 0.12 0.31 1.49 -1.51 0.00 0.00 179.97 180.26 3gxb h GLU 1598N 0.00 0.00 -0.01 0.20 4.81 -1.54 0.27 114.58 118.31 3gxb h GLU 1598Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3gxb h GLU 1598Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3gxb h GLU 1598CO 0.02 0.00 -0.28 1.04 -0.73 0.00 0.00 179.01 179.05 3gxb n GLN 1599N -3.56 0.83 -2.20 1.92 1.13 -0.91 -4.92 117.38 109.67 3gxb n GLN 1599Ca 0.03 -0.51 -0.35 0.00 -1.94 0.00 0.00 57.00 54.23 3gxb n GLN 1599Cb 0.44 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 29.31 3gxb n GLN 1599CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gxb s ALA 1600N -2.52 2.68 0.43 -1.58 0.00 0.08 -4.97 121.76 115.88 3gxb s ALA 1600Ca 0.23 0.88 -0.25 0.00 0.00 0.00 0.00 51.96 52.82 3gxb s ALA 1600Cb 0.19 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 3gxb s ALA 1600CO 0.53 -0.86 1.33 -2.14 0.00 0.00 0.00 175.76 174.61 3gxb s PRO 1601N -3.26 3.84 -0.19 0.00 0.02 -1.26 -4.81 135.00 129.34 3gxb s PRO 1601Ca 0.73 2.20 -0.05 0.00 0.02 0.00 0.00 61.00 63.91 3gxb s PRO 1601Cb -0.26 -2.68 -0.03 0.00 0.02 0.00 0.00 34.50 31.55 3gxb s PRO 1601CO 0.29 -0.62 -0.01 -0.80 -0.33 0.00 0.00 177.00 175.53 3gxb s ASN 1602N -0.73 4.82 -0.03 2.53 0.01 -1.25 -1.53 114.94 118.77 3gxb s ASN 1602Ca 0.59 -0.18 0.04 0.00 -0.71 0.00 0.00 52.86 52.60 3gxb s ASN 1602Cb -0.39 -1.81 -0.00 0.00 0.41 0.00 0.00 41.25 39.45 3gxb s ASN 1602CO 0.50 0.10 -0.14 -0.22 -1.51 0.00 0.00 177.10 175.83 3gxb s LEU 1603N 0.79 1.91 -0.08 0.60 2.96 0.37 -0.87 118.68 124.36 3gxb s LEU 1603Ca -0.00 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 3gxb s LEU 1603Cb -0.14 -0.76 0.00 0.00 0.50 0.00 0.00 46.19 45.79 3gxb s LEU 1603CO 0.02 0.13 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.28 3gxb s VAL 1604N -0.04 1.79 -0.40 1.68 1.01 0.40 -0.41 120.40 124.43 3gxb s VAL 1604Ca -0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 3gxb s VAL 1604Cb -0.09 -1.55 0.09 0.00 0.00 0.00 0.00 36.38 34.83 3gxb s VAL 1604CO 0.01 0.50 0.20 -0.31 0.00 0.00 0.00 175.10 175.50 3gxb s TYR 1605N 0.27 3.41 -0.43 5.22 2.02 0.33 -0.34 117.35 127.85 3gxb s TYR 1605Ca -0.13 -1.90 -0.17 0.00 -0.37 0.00 0.00 57.07 54.50 3gxb s TYR 1605Cb -0.16 -2.93 0.02 0.00 -0.40 0.00 0.00 41.96 38.49 3gxb s TYR 1605CO 0.06 -0.89 0.43 0.00 -1.57 0.00 0.00 175.55 173.58 3gxb s MET 1606N 1.30 3.08 -0.25 -0.62 0.23 -1.18 -1.14 119.30 120.72 3gxb s MET 1606Ca 0.04 -0.80 -0.17 0.00 -1.03 0.00 0.00 55.69 53.72 3gxb s MET 1606Cb -0.23 -3.98 -0.03 0.00 -1.53 0.00 0.00 34.83 29.06 3gxb s MET 1606CO -0.01 -0.87 0.47 0.08 -2.03 0.00 0.00 175.02 172.67 3gxb s VAL 1607N 2.11 5.11 -0.02 5.16 1.01 0.52 -0.83 120.40 133.45 3gxb s VAL 1607Ca 0.11 0.79 -0.12 0.00 0.00 0.00 0.00 61.98 62.77 3gxb s VAL 1607Cb -0.17 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.43 3gxb s VAL 1607CO 0.13 0.12 0.26 0.28 0.00 0.00 0.00 175.10 175.89 3gxb s THR 1608N 2.13 0.06 -0.10 3.92 -1.32 -0.62 -2.00 115.64 117.71 3gxb s THR 1608Ca 0.20 -0.47 0.01 0.00 -1.21 0.00 0.00 61.69 60.21 3gxb s THR 1608Cb -0.16 -0.53 0.03 0.00 -1.51 0.00 0.00 72.50 70.33 3gxb s THR 1608CO 0.09 -0.26 0.97 0.61 -2.21 0.00 0.00 174.62 173.82 3gxb n GLY 1609N 1.54 2.50 3.16 6.08 0.00 -1.26 -0.90 105.19 116.31 3gxb n GLY 1609Ca -0.21 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 3gxb n GLY 1609CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gxb s ASN 1610N -0.90 0.08 0.66 1.61 0.01 -1.26 -3.21 114.94 111.93 3gxb s ASN 1610Ca 0.02 -0.42 -0.17 0.00 -0.71 0.00 0.00 52.86 51.59 3gxb s ASN 1610Cb 0.01 0.27 -0.00 0.00 0.41 0.00 0.00 41.25 41.94 3gxb s ASN 1610CO 0.02 -0.54 1.19 -2.84 -1.51 0.00 0.00 177.10 173.42 3gxb s PRO 1611N -2.56 2.62 0.37 -0.60 0.02 -1.23 -4.57 135.00 129.04 3gxb s PRO 1611Ca -0.05 1.72 -0.27 0.00 0.02 0.00 0.00 61.00 62.41 3gxb s PRO 1611Cb -0.01 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.52 3gxb s PRO 1611CO -0.04 -1.46 1.32 0.00 -0.33 0.00 0.00 177.00 176.49 3gxb s ALA 1612N -1.88 3.40 -0.10 -1.55 0.00 -1.26 -4.75 121.76 115.61 3gxb s ALA 1612Ca 0.74 1.27 0.14 0.00 0.00 0.00 0.00 51.96 54.12 3gxb s ALA 1612Cb -0.28 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.29 3gxb s ALA 1612CO 0.39 -0.75 1.17 0.77 0.00 0.00 0.00 175.76 177.34 3gxb h SER 1613N 3.04 0.00 -4.98 0.00 0.02 -1.19 -3.48 113.55 106.96 3gxb h SER 1613Ca -0.49 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.04 3gxb h SER 1613Cb 1.24 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.73 3gxb h SER 1613CO 0.64 0.62 -0.23 -0.90 -1.14 0.00 0.00 176.83 175.82 3gxb n ASP 1614N -3.12 2.41 -4.73 3.07 5.75 -1.26 -5.00 116.55 113.67 3gxb n ASP 1614Ca -0.03 -2.39 -0.41 0.00 -0.01 0.00 0.00 54.79 51.96 3gxb n ASP 1614Cb 0.81 0.04 -0.04 0.00 -1.03 0.00 0.00 41.12 40.90 3gxb n ASP 1614CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3gxb s GLU 1615N -3.51 4.60 -0.23 0.11 2.02 -1.26 -4.76 118.70 115.67 3gxb s GLU 1615Ca 0.17 1.30 -0.12 0.00 0.02 0.00 0.00 54.97 56.34 3gxb s GLU 1615Cb -0.01 -3.39 -0.05 0.00 0.10 0.00 0.00 34.13 30.78 3gxb s GLU 1615CO 0.11 0.18 0.21 0.42 0.02 0.00 0.00 175.26 176.19 3gxb s ILE 1616N 0.20 5.33 -0.05 -1.63 1.01 -1.26 -4.32 121.20 120.47 3gxb s ILE 1616Ca 0.45 0.29 0.00 0.00 0.00 0.00 0.00 60.65 61.38 3gxb s ILE 1616Cb -0.22 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 3gxb s ILE 1616CO 0.27 0.33 -0.02 -0.54 0.00 0.00 0.00 174.94 174.97 3gxb s LYS 1617N 1.09 2.83 0.35 2.79 -0.14 -1.26 -5.07 119.74 120.34 3gxb s LYS 1617Ca 0.10 -0.52 -0.28 0.00 -1.36 0.00 0.00 55.97 53.91 3gxb s LYS 1617Cb -0.14 -2.68 -0.10 0.00 -1.68 0.00 0.00 37.83 33.24 3gxb s LYS 1617CO 0.05 0.67 1.29 1.03 -0.76 0.00 0.00 175.35 177.63 3gxb s ARG 1618N -1.06 4.24 0.65 1.68 0.52 -1.26 -4.93 118.95 118.79 3gxb s ARG 1618Ca 0.15 2.16 -0.11 0.00 -0.52 0.00 0.00 55.73 57.41 3gxb s ARG 1618Cb -0.11 -2.96 -0.02 0.00 0.52 0.00 0.00 34.95 32.37 3gxb s ARG 1618CO 0.04 -0.27 1.04 -0.51 0.02 0.00 0.00 175.30 175.63 3gxb s LEU 1619N -2.00 3.19 0.71 2.53 1.43 -1.26 -5.02 118.68 118.25 3gxb s LEU 1619Ca 0.51 1.48 -0.16 0.00 -1.03 0.00 0.00 54.13 54.93 3gxb s LEU 1619Cb -0.38 -4.46 -0.00 0.00 0.03 0.00 0.00 46.19 41.37 3gxb s LEU 1619CO 0.51 -1.07 0.97 -2.65 0.23 0.00 0.00 176.35 174.34 3gxb n PRO 1620N -2.88 0.57 0.06 1.29 -0.02 -1.26 -4.87 135.00 127.88 3gxb n PRO 1620Ca 0.07 0.25 0.19 0.00 -2.02 0.00 0.00 63.50 61.99 3gxb n PRO 1620Cb 0.54 -2.22 0.73 0.00 -0.02 0.00 0.00 33.50 32.52 3gxb n PRO 1620CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3gxb h GLY 1621N -0.15 0.00 0.86 -1.23 0.00 -2.01 -1.23 103.07 99.31 3gxb h GLY 1621Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3gxb h GLY 1621CO 0.47 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.10 3gxb n ASP 1622N -4.13 0.00 -4.17 0.19 5.75 -1.26 -4.53 116.55 108.40 3gxb n ASP 1622Ca 0.07 -1.08 -0.35 0.00 -0.01 0.00 0.00 54.79 53.43 3gxb n ASP 1622Cb 0.55 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.50 3gxb n ASP 1622CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3gxb s ILE 1623N -2.00 2.90 -0.22 2.12 1.01 -0.47 -3.86 121.20 120.68 3gxb s ILE 1623Ca 0.39 -1.30 -0.19 0.00 0.00 0.00 0.00 60.65 59.55 3gxb s ILE 1623Cb 0.18 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 3gxb s ILE 1623CO 0.30 -0.01 0.57 -1.10 0.00 0.00 0.00 174.94 174.70 3gxb s GLN 1624N 1.26 4.16 -0.17 2.79 -0.21 -0.05 -4.79 119.66 122.66 3gxb s GLN 1624Ca -0.04 0.48 -0.04 0.00 0.02 0.00 0.00 55.36 55.78 3gxb s GLN 1624Cb -0.19 -3.60 -0.03 0.00 1.00 0.00 0.00 33.01 30.19 3gxb s GLN 1624CO -0.02 -0.27 -0.02 0.08 -2.12 0.00 0.00 175.29 172.93 3gxb s VAL 1625N 2.02 3.94 -0.44 1.09 1.01 -1.26 -0.45 120.40 126.31 3gxb s VAL 1625Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3gxb s VAL 1625Cb -0.16 -2.74 0.12 0.00 0.00 0.00 0.00 36.38 33.60 3gxb s VAL 1625CO 0.09 0.48 0.21 -0.69 0.00 0.00 0.00 175.10 175.19 3gxb s VAL 1626N 0.51 2.94 0.21 2.92 1.01 0.54 -4.48 120.40 124.06 3gxb s VAL 1626Ca -0.03 -2.50 -0.30 0.00 0.00 0.00 0.00 61.98 59.15 3gxb s VAL 1626Cb -0.14 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 3gxb s VAL 1626CO 0.03 -0.71 1.32 -2.84 0.00 0.00 0.00 175.10 172.89 3gxb s PRO 1627N 0.63 4.38 -0.42 2.72 0.02 -1.26 -3.09 135.00 137.98 3gxb s PRO 1627Ca 0.12 2.08 -0.03 0.00 0.02 0.00 0.00 61.00 63.19 3gxb s PRO 1627Cb -0.22 -3.18 0.11 0.00 0.02 0.00 0.00 34.50 31.24 3gxb s PRO 1627CO -0.05 -0.26 0.22 0.42 -0.33 0.00 0.00 177.00 177.01 3gxb s ILE 1628N 0.02 3.33 -0.26 2.83 1.01 -0.01 -0.57 121.20 127.55 3gxb s ILE 1628Ca 0.56 -2.12 -0.23 0.00 0.00 0.00 0.00 60.65 58.86 3gxb s ILE 1628Cb -0.37 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 3gxb s ILE 1628CO 0.39 -0.71 0.78 -0.83 0.00 0.00 0.00 174.94 174.58 3gxb s GLY 1629N 1.76 1.75 -0.16 6.18 0.00 -0.34 -1.60 107.32 114.91 3gxb s GLY 1629Ca 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 44.72 44.53 3gxb s GLY 1629CO -0.04 1.73 -0.11 0.14 0.00 0.00 0.00 173.10 174.82 3gxb s VAL 1630N 2.82 3.05 0.00 1.40 1.01 -0.08 -0.75 120.40 127.85 3gxb s VAL 1630Ca 0.33 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3gxb s VAL 1630Cb -0.15 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.91 3gxb s VAL 1630CO 0.09 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3gxb n GLY 1631N 4.02 -0.99 0.00 4.51 0.00 -0.32 -4.25 105.19 108.16 3gxb n GLY 1631Ca -0.18 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.30 3gxb n GLY 1631CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gxb n PRO 1632N -1.04 0.05 -0.04 1.61 -0.05 -1.26 -3.40 135.00 130.88 3gxb n PRO 1632Ca 0.00 0.09 0.12 0.00 -0.05 0.00 0.00 63.50 63.66 3gxb n PRO 1632Cb 0.00 -1.50 0.19 0.00 -0.05 0.00 0.00 33.50 32.14 3gxb n PRO 1632CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 3gxb n ASN 1633N -1.47 2.84 -4.75 3.54 3.02 -1.26 -4.93 115.26 112.25 3gxb n ASN 1633Ca 0.07 -1.92 -0.41 0.00 -0.03 0.00 0.00 54.58 52.28 3gxb n ASN 1633Cb 0.27 -0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 3gxb n ASN 1633CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gxb s ALA 1634N -1.90 3.62 -0.74 5.41 0.00 -1.20 -3.54 121.76 123.41 3gxb s ALA 1634Ca 0.31 1.37 -0.23 0.00 0.00 0.00 0.00 51.96 53.41 3gxb s ALA 1634Cb 0.21 -3.56 0.06 0.00 0.00 0.00 0.00 23.12 19.83 3gxb s ALA 1634CO 0.31 -0.78 1.10 1.21 0.00 0.00 0.00 175.76 177.59 3gxb s ASN 1635N 0.20 6.24 0.17 0.00 3.84 -1.26 -4.91 114.94 119.22 3gxb s ASN 1635Ca 0.58 -1.00 -0.14 0.00 0.21 0.00 0.00 52.86 52.50 3gxb s ASN 1635Cb -0.43 -2.46 0.10 0.00 -0.55 0.00 0.00 41.25 37.91 3gxb s ASN 1635CO 0.47 -1.51 1.78 0.58 -2.79 0.00 0.00 177.10 175.63 3gxb h VAL 1636N 6.04 0.95 -0.80 -5.21 2.07 -1.98 -1.13 116.25 116.20 3gxb h VAL 1636Ca -0.20 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 3gxb h VAL 1636Cb 1.06 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3gxb h VAL 1636CO 1.22 0.08 0.48 1.56 0.02 0.00 0.00 177.57 180.93 3gxb h GLN 1637N 0.43 1.08 -0.42 1.57 4.20 -1.99 0.77 115.11 120.75 3gxb h GLN 1637Ca 0.19 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 3gxb h GLN 1637Cb 0.11 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3gxb h GLN 1637CO -0.14 0.76 0.11 1.49 -0.67 0.00 0.00 178.83 180.38 3gxb h GLU 1638N 1.09 0.67 -0.69 1.46 4.81 -1.89 -1.61 114.58 118.42 3gxb h GLU 1638Ca 0.29 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 3gxb h GLU 1638Cb -0.05 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 3gxb h GLU 1638CO -0.05 0.67 0.14 -0.07 -0.73 0.00 0.00 179.01 178.96 3gxb h LEU 1639N 0.54 1.08 -0.96 1.64 3.38 -0.84 -1.64 115.31 118.51 3gxb h LEU 1639Ca 0.13 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3gxb h LEU 1639Cb 0.30 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3gxb h LEU 1639CO -0.00 1.05 0.26 -0.33 0.09 0.00 0.00 178.44 179.52 3gxb h GLU 1640N 1.06 1.02 -0.13 1.13 5.08 -0.74 -0.07 114.58 121.92 3gxb h GLU 1640Ca 0.21 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3gxb h GLU 1640Cb 0.42 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3gxb h GLU 1640CO 0.01 0.83 0.03 -0.09 -1.00 0.00 0.00 179.01 178.80 3gxb h ARG 1641N 0.99 0.22 -0.62 2.33 2.43 -0.95 -1.57 114.38 117.21 3gxb h ARG 1641Ca 0.23 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3gxb h ARG 1641Cb 0.21 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 3gxb h ARG 1641CO -0.02 0.38 0.27 0.82 -1.51 0.00 0.00 179.97 179.91 3gxb h ILE 1642N 0.02 1.22 0.00 1.20 2.04 -1.17 -3.31 117.51 117.51 3gxb h ILE 1642Ca 0.04 -0.67 -0.22 0.00 1.00 0.00 0.00 64.86 65.01 3gxb h ILE 1642Cb 0.26 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3gxb h ILE 1642CO 0.00 0.27 -0.92 1.23 0.00 0.00 0.00 178.15 178.73 3gxb h GLY 1643N 0.85 0.38 -5.38 5.37 0.00 -0.93 -3.44 103.07 99.93 3gxb h GLY 1643Ca 0.21 -0.67 -0.69 0.00 0.00 0.00 0.00 47.33 46.18 3gxb h GLY 1643CO -0.02 0.59 0.27 1.87 0.00 0.00 0.00 176.54 179.25 3gxb n TRP 1644N -3.72 1.18 1.96 5.60 -0.00 -0.60 -0.39 117.44 121.47 3gxb n TRP 1644Ca -0.06 0.74 0.13 0.00 -0.00 0.00 0.00 57.50 58.32 3gxb n TRP 1644Cb 0.82 -2.25 0.76 0.00 -0.00 0.00 0.00 31.31 30.65 3gxb n TRP 1644CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3gxb n PRO 1645N 1.99 1.05 -2.73 5.87 -0.04 -1.26 -4.95 135.00 134.92 3gxb n PRO 1645Ca 0.17 -0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 3gxb n PRO 1645Cb 0.19 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.20 3gxb n PRO 1645CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3gxb s ASN 1646N -1.83 7.40 0.26 3.54 0.01 0.48 -5.04 114.94 119.76 3gxb s ASN 1646Ca 0.39 1.69 -0.30 0.00 -0.71 0.00 0.00 52.86 53.94 3gxb s ASN 1646Cb 0.18 -2.57 -0.09 0.00 0.41 0.00 0.00 41.25 39.18 3gxb s ASN 1646CO 0.31 -0.18 1.13 0.00 -1.51 0.00 0.00 177.10 176.84 3gxb s ALA 1647N 0.61 3.41 0.65 0.60 0.00 -1.26 -4.48 121.76 121.29 3gxb s ALA 1647Ca 0.49 0.92 -0.16 0.00 0.00 0.00 0.00 51.96 53.21 3gxb s ALA 1647Cb -0.22 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 3gxb s ALA 1647CO 0.28 -0.23 1.15 -2.14 0.00 0.00 0.00 175.76 174.82 3gxb s PRO 1648N -1.15 2.77 -0.34 0.00 0.02 -1.26 -4.73 135.00 130.30 3gxb s PRO 1648Ca 0.47 1.56 -0.15 0.00 0.02 0.00 0.00 61.00 62.90 3gxb s PRO 1648Cb -0.32 -1.93 -0.01 0.00 0.02 0.00 0.00 34.50 32.25 3gxb s PRO 1648CO 0.40 -1.31 0.35 0.42 -0.33 0.00 0.00 177.00 176.54 3gxb s ILE 1649N -2.08 5.18 -0.32 2.83 1.01 0.27 -4.99 121.20 123.10 3gxb s ILE 1649Ca 0.71 0.03 -0.10 0.00 0.00 0.00 0.00 60.65 61.28 3gxb s ILE 1649Cb -0.24 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 3gxb s ILE 1649CO 0.39 -0.09 0.18 -0.76 0.00 0.00 0.00 174.94 174.66 3gxb s LEU 1650N 2.00 4.25 -0.09 2.97 1.43 -1.26 -1.20 118.68 126.77 3gxb s LEU 1650Ca 0.11 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3gxb s LEU 1650Cb -0.17 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 3gxb s LEU 1650CO 0.12 -0.22 -0.04 -0.63 0.23 0.00 0.00 176.35 175.81 3gxb s ILE 1651N 1.64 3.96 0.19 -0.59 -1.09 0.07 -4.99 121.20 120.38 3gxb s ILE 1651Ca 0.05 -0.37 -0.22 0.00 -2.23 0.00 0.00 60.65 57.88 3gxb s ILE 1651Cb -0.17 -2.66 0.11 0.00 -1.58 0.00 0.00 42.46 38.16 3gxb s ILE 1651CO 0.07 0.58 1.57 -0.61 -1.23 0.00 0.00 174.94 175.32 3gxb h GLN 1652N 5.52 -0.15 -2.45 2.79 4.15 -1.93 -0.84 115.11 122.20 3gxb h GLN 1652Ca -0.46 0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.13 3gxb h GLN 1652Cb 1.18 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.84 3gxb h GLN 1652CO 0.55 -0.10 0.49 0.16 -1.93 0.00 0.00 178.83 178.01 3gxb s ASP 1653N -5.21 -0.11 0.27 -0.69 1.47 -1.26 -3.29 116.67 107.85 3gxb s ASP 1653Ca -0.14 -0.54 0.01 0.00 1.18 0.00 0.00 52.55 53.07 3gxb s ASP 1653Cb 0.16 0.52 0.38 0.00 -0.34 0.00 0.00 42.92 43.63 3gxb s ASP 1653CO 0.68 -0.99 1.71 -0.26 0.68 0.00 0.00 175.17 176.99 3gxb h PHE 1654N 2.00 0.60 -0.94 2.11 -1.00 -1.90 -2.46 116.94 115.35 3gxb h PHE 1654Ca -0.25 -0.13 0.12 0.00 2.81 0.00 0.00 57.97 60.51 3gxb h PHE 1654Cb 1.23 -0.15 -0.07 0.00 3.61 0.00 0.00 35.95 40.57 3gxb h PHE 1654CO 0.72 0.73 0.60 1.49 -1.61 0.00 0.00 178.31 180.24 3gxb h GLU 1655N 0.47 0.86 0.00 1.51 4.81 -1.95 -2.39 114.58 117.89 3gxb h GLU 1655Ca 0.07 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3gxb h GLU 1655Cb 0.67 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3gxb h GLU 1655CO 0.05 0.57 -0.79 0.25 -0.73 0.00 0.00 179.01 178.36 3gxb n THR 1656N -4.57 0.30 -0.28 0.32 -2.24 -1.09 -4.44 114.28 102.28 3gxb n THR 1656Ca 0.17 -0.28 0.07 0.00 -2.27 0.00 0.00 64.05 61.74 3gxb n THR 1656Cb 0.36 -0.03 0.22 0.00 -2.10 0.00 0.00 70.33 68.79 3gxb n THR 1656CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3gxb h LEU 1657N 0.00 0.42 0.00 3.22 5.85 -0.95 -1.24 115.31 122.61 3gxb h LEU 1657Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3gxb h LEU 1657Cb 0.76 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3gxb h LEU 1657CO 0.00 0.15 0.00 -2.65 -0.34 0.00 0.00 178.44 175.60 3gxb n PRO 1658N -4.94 0.24 0.00 5.25 -0.02 -1.26 -3.40 135.00 130.87 3gxb n PRO 1658Ca 0.17 0.09 -0.09 0.00 -2.02 0.00 0.00 63.50 61.64 3gxb n PRO 1658Cb 0.46 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.36 3gxb n PRO 1658CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gxb h ARG 1659N 0.00 -0.11 0.00 -0.52 2.47 -1.52 -3.43 114.38 111.27 3gxb h ARG 1659Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3gxb h ARG 1659Cb 0.25 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 3gxb h ARG 1659CO 0.00 0.37 -0.86 0.39 0.56 0.00 0.00 179.97 180.43 3gxb n GLU 1660N -4.82 3.30 -0.16 0.04 1.02 -1.26 -4.78 120.64 113.99 3gxb n GLU 1660Ca -0.07 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.20 3gxb n GLU 1660Cb 0.26 -0.93 0.46 0.00 -0.02 0.00 0.00 31.44 31.21 3gxb n GLU 1660CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gxb h ALA 1661N 0.00 1.97 -0.99 0.62 0.00 -1.83 -1.18 119.26 117.85 3gxb h ALA 1661Ca 0.00 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3gxb h ALA 1661Cb 0.82 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 3gxb h ALA 1661CO 0.00 -0.15 0.63 -1.35 0.00 0.00 0.00 179.25 178.38 3gxb h PRO 1662N 0.52 1.00 -0.39 0.00 0.11 -1.82 -1.24 132.00 130.17 3gxb h PRO 1662Ca 0.35 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.27 3gxb h PRO 1662Cb 0.65 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 3gxb h PRO 1662CO -0.12 0.66 -0.26 -0.44 -0.21 0.00 0.00 178.00 177.64 3gxb h ASP 1663N 1.03 0.83 -0.87 -2.05 3.32 -1.55 -0.80 116.42 116.33 3gxb h ASP 1663Ca 0.47 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 57.22 3gxb h ASP 1663Cb 0.40 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 3gxb h ASP 1663CO -0.23 1.04 0.57 -0.07 -1.72 0.00 0.00 179.24 178.84 3gxb h LEU 1664N 0.69 0.99 -0.08 1.55 3.38 -1.24 -0.54 115.31 120.06 3gxb h LEU 1664Ca 0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3gxb h LEU 1664Cb 0.79 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3gxb h LEU 1664CO 0.06 0.71 -0.01 0.58 0.09 0.00 0.00 178.44 179.88 3gxb h VAL 1665N 1.17 1.27 -0.27 1.22 2.07 -1.06 -2.85 116.25 117.80 3gxb h VAL 1665Ca 0.32 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 3gxb h VAL 1665Cb -0.12 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3gxb h VAL 1665CO -0.08 0.24 -0.02 -0.07 0.02 0.00 0.00 177.57 177.67 3gxb h LEU 1666N -0.16 0.39 -1.19 2.57 3.38 -0.95 -1.46 115.31 117.88 3gxb h LEU 1666Ca 0.02 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3gxb h LEU 1666Cb 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3gxb h LEU 1666CO 0.01 0.47 -0.12 1.56 0.09 0.00 0.00 178.44 180.45 3gxb h GLN 1667N 0.40 0.42 0.22 1.13 4.20 -1.09 0.29 115.11 120.68 3gxb h GLN 1667Ca 0.09 -0.11 -0.33 0.00 0.06 0.00 0.00 58.65 58.35 3gxb h GLN 1667Cb 0.30 -0.05 0.03 0.00 0.30 0.00 0.00 27.48 28.06 3gxb h GLN 1667CO 0.01 0.54 -1.51 -0.09 -0.67 0.00 0.00 178.83 177.11 3gxb h ARG 1668N 0.39 0.47 0.10 1.46 1.12 -1.11 -3.35 114.38 113.46 3gxb h ARG 1668Ca 0.08 -0.80 -0.23 0.00 -1.11 0.00 0.00 59.98 57.92 3gxb h ARG 1668Cb 0.45 0.30 -0.00 0.00 -0.01 0.00 0.00 29.97 30.71 3gxb h ARG 1668CO 0.03 1.38 -1.16 0.00 -3.11 0.00 0.00 179.97 177.10 3gxb s SER 1671N -2.16 6.49 0.00 0.00 0.15 -1.18 -4.92 113.70 112.09 3gxb s SER 1671Ca 0.25 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.48 3gxb s SER 1671Cb 0.26 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 3gxb s SER 1671CO -0.07 0.26 0.00 -0.81 1.20 0.00 0.00 173.24 173.82