#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwe s SER 1509N 0.00 -0.29 0.00 1.61 0.15 -1.26 -4.99 113.70 108.92 1xwe s SER 1509Ca 0.00 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.63 1xwe s SER 1509Cb 0.00 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.71 1xwe s SER 1509CO 0.00 -0.24 0.00 1.57 1.20 0.00 0.00 173.24 175.77 1xwe n HIS 1510N 5.39 0.00 -1.23 3.44 -0.00 -1.26 -5.14 115.22 116.42 1xwe n HIS 1510Ca -0.08 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.44 1xwe n HIS 1510Cb 0.49 0.00 0.15 0.00 -0.00 0.00 0.00 29.99 30.63 1xwe n HIS 1510CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1xwe n MET 1511N -0.79 -1.61 -4.33 1.57 2.00 -1.26 -5.10 117.12 107.59 1xwe n MET 1511Ca 0.00 -1.24 -0.17 0.00 0.00 0.00 0.00 57.70 56.29 1xwe n MET 1511Cb 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 33.22 32.14 1xwe n MET 1511CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xwe s ALA 1512N -3.50 1.82 0.00 3.04 0.00 -1.26 -5.11 121.76 116.74 1xwe s ALA 1512Ca 0.48 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1xwe s ALA 1512Cb -0.03 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1xwe s ALA 1512CO 0.35 -0.31 0.00 -0.25 0.00 0.00 0.00 175.76 175.55 1xwe n ASP 1513N -0.45 0.00 -3.13 0.00 9.92 -1.26 -3.86 116.55 117.76 1xwe n ASP 1513Ca -0.04 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.06 1xwe n ASP 1513Cb 0.65 -0.27 0.02 0.00 -0.64 0.00 0.00 41.12 40.87 1xwe n ASP 1513CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xwe n GLY 1515N 0.23 3.53 3.03 0.00 0.00 -0.98 -3.96 105.19 107.05 1xwe n GLY 1515Ca 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 46.02 45.17 1xwe n GLY 1515CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xwe n GLN 1516N 0.00 -1.63 -3.00 1.61 6.02 -1.26 -4.21 117.38 114.90 1xwe n GLN 1516Ca 0.00 1.60 -0.18 0.00 -0.01 0.00 0.00 57.00 58.41 1xwe n GLN 1516Cb 0.00 -2.83 0.03 0.00 1.02 0.00 0.00 30.24 28.46 1xwe n GLN 1516CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xwe s MET 1517N -1.40 2.61 0.52 -1.09 0.23 -1.26 -4.46 119.30 114.44 1xwe s MET 1517Ca 0.04 -1.38 0.08 0.00 -1.03 0.00 0.00 55.69 53.40 1xwe s MET 1517Cb -0.01 -2.70 0.04 0.00 -1.53 0.00 0.00 34.83 30.63 1xwe s MET 1517CO 0.38 -0.52 0.56 -0.65 -2.03 0.00 0.00 175.02 172.75 1xwe s GLN 1518N -4.49 2.37 0.57 3.16 -1.52 -1.16 -5.03 119.66 113.57 1xwe s GLN 1518Ca 0.58 -1.73 -0.20 0.00 -1.95 0.00 0.00 55.36 52.06 1xwe s GLN 1518Cb -0.08 -2.41 -0.04 0.00 -0.22 0.00 0.00 33.01 30.26 1xwe s GLN 1518CO 0.36 -0.61 1.28 -1.21 -0.25 0.00 0.00 175.29 174.86 1xwe s GLU 1519N -4.41 3.03 0.00 2.91 0.41 -1.26 -4.75 118.70 114.63 1xwe s GLU 1519Ca 0.49 2.04 0.00 0.00 -0.41 0.00 0.00 54.97 57.08 1xwe s GLU 1519Cb -0.04 -2.09 0.00 0.00 -1.78 0.00 0.00 34.13 30.21 1xwe s GLU 1519CO 0.30 -1.21 0.56 0.39 -0.49 0.00 0.00 175.26 174.81 1xwe n GLU 1520N -1.31 0.00 -3.94 1.61 1.02 -1.26 -4.55 120.64 112.20 1xwe n GLU 1520Ca 0.12 0.22 -0.30 0.00 -0.02 0.00 0.00 57.16 57.17 1xwe n GLU 1520Cb 0.47 -1.11 -0.14 0.00 -0.02 0.00 0.00 31.44 30.64 1xwe n GLU 1520CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1xwe s LEU 1521N -2.29 4.24 -0.17 -4.62 1.98 -1.26 -4.67 118.68 111.89 1xwe s LEU 1521Ca 0.00 -2.67 -0.04 0.00 -2.89 0.00 0.00 54.13 48.53 1xwe s LEU 1521Cb 0.00 -1.56 0.08 0.00 0.66 0.00 0.00 46.19 45.37 1xwe s LEU 1521CO 0.00 -0.29 0.22 -1.81 -1.89 0.00 0.00 176.35 172.59 1xwe s ASP 1522N 0.19 1.03 -0.73 3.68 1.11 -1.26 -5.10 116.67 115.59 1xwe s ASP 1522Ca 0.15 0.05 -0.27 0.00 0.18 0.00 0.00 52.55 52.66 1xwe s ASP 1522Cb -0.23 0.45 0.03 0.00 1.07 0.00 0.00 42.92 44.23 1xwe s ASP 1522CO -0.03 -0.29 1.28 -0.76 1.18 0.00 0.00 175.17 176.55 1xwe s LEU 1523N 2.34 3.18 0.00 1.23 1.43 -1.26 -4.19 118.68 121.41 1xwe s LEU 1523Ca 0.05 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1xwe s LEU 1523Cb -0.14 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.48 1xwe s LEU 1523CO -0.10 -1.82 0.00 1.07 0.23 0.00 0.00 176.35 175.72 1xwe n THR 1524N 6.41 0.00 -3.30 5.49 5.66 -1.26 -5.12 114.28 122.16 1xwe n THR 1524Ca 0.04 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.65 1xwe n THR 1524Cb 0.49 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.20 1xwe n THR 1524CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1xwe s ILE 1525N 0.00 5.15 0.62 1.09 1.01 -1.26 -5.07 121.20 122.73 1xwe s ILE 1525Ca 0.00 0.87 -0.10 0.00 0.00 0.00 0.00 60.65 61.42 1xwe s ILE 1525Cb 0.00 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 1xwe s ILE 1525CO 0.00 0.22 1.00 -0.44 0.00 0.00 0.00 174.94 175.71 1xwe s SER 1526N 1.07 5.98 0.08 3.58 0.01 -1.26 -4.96 113.70 118.20 1xwe s SER 1526Ca 0.22 1.21 -0.31 0.00 1.31 0.00 0.00 55.95 58.38 1xwe s SER 1526Cb -0.15 -2.23 -0.17 0.00 0.21 0.00 0.00 66.02 63.68 1xwe s SER 1526CO 0.09 -0.96 1.64 0.00 0.41 0.00 0.00 173.24 174.42 1xwe h ALA 1527N -0.31 -0.75 -0.06 1.44 0.00 -1.98 -2.36 119.26 115.24 1xwe h ALA 1527Ca -0.45 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.32 1xwe h ALA 1527Cb 1.21 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 1xwe h ALA 1527CO 0.62 -0.93 0.04 1.05 0.00 0.00 0.00 179.25 180.03 1xwe h GLU 1528N -0.75 0.00 -0.73 0.00 4.11 -1.94 -1.47 114.58 113.80 1xwe h GLU 1528Ca -0.06 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.38 1xwe h GLU 1528Cb 0.60 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1xwe h GLU 1528CO 0.08 0.00 0.48 1.15 0.07 0.00 0.00 179.01 180.79 1xwe h THR 1529N 0.00 1.16 0.21 -1.06 2.02 -1.81 0.11 112.91 113.55 1xwe h THR 1529Ca 0.03 -0.33 -0.34 0.00 0.77 0.00 0.00 66.41 66.54 1xwe h THR 1529Cb 0.11 0.13 0.02 0.00 -1.74 0.00 0.00 68.15 66.67 1xwe h THR 1529CO -0.00 0.17 -1.63 0.03 0.37 0.00 0.00 175.52 174.47 1xwe h ARG 1530N 0.95 0.45 0.00 6.66 3.08 -1.15 -3.29 114.38 121.08 1xwe h ARG 1530Ca 0.27 -0.77 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 1xwe h ARG 1530Cb -0.07 0.29 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1xwe h ARG 1530CO -0.06 1.37 -0.05 -0.22 -1.07 0.00 0.00 179.97 179.93 1xwe h LYS 1531N 0.10 0.00 -0.02 0.04 3.64 -1.09 -2.11 116.57 117.14 1xwe h LYS 1531Ca -0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1xwe h LYS 1531Cb 2.11 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.93 1xwe h LYS 1531CO 0.21 0.05 0.22 0.37 -2.27 0.00 0.00 179.45 178.04 1xwe h GLN 1532N 0.00 0.00 0.00 1.90 5.75 -0.85 0.12 115.11 122.02 1xwe h GLN 1532Ca -0.00 0.00 -0.25 0.00 -0.15 0.00 0.00 58.65 58.25 1xwe h GLN 1532Cb 0.31 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.81 1xwe h GLN 1532CO 0.01 0.00 -2.18 2.41 -2.65 0.00 0.00 178.83 176.41 1xwe n THR 1533N -3.01 0.95 1.11 2.39 -1.04 -0.80 -4.28 114.28 109.60 1xwe n THR 1533Ca -0.02 -0.70 0.07 0.00 -2.04 0.00 0.00 64.05 61.36 1xwe n THR 1533Cb 0.28 -0.36 0.42 0.00 -1.82 0.00 0.00 70.33 68.85 1xwe n THR 1533CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xwe n ALA 1534N -2.56 2.14 -1.23 2.41 0.00 0.38 -2.18 120.51 119.47 1xwe n ALA 1534Ca -0.23 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.15 1xwe n ALA 1534Cb 0.96 -1.23 0.05 0.00 0.00 0.00 0.00 19.45 19.22 1xwe n ALA 1534CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xwe s LYS 1536N -1.18 3.62 0.21 0.00 1.02 -0.93 -5.01 119.74 117.47 1xwe s LYS 1536Ca 0.11 -0.09 -0.09 0.00 0.02 0.00 0.00 55.97 55.93 1xwe s LYS 1536Cb 0.10 -2.78 0.28 0.00 -0.52 0.00 0.00 37.83 34.91 1xwe s LYS 1536CO 0.01 0.38 1.78 -1.35 -0.92 0.00 0.00 175.35 175.25 1xwe h PRO 1537N 2.35 0.56 -0.01 -1.68 0.11 -1.98 -0.44 132.00 130.91 1xwe h PRO 1537Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xwe h PRO 1537Cb 1.18 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1xwe h PRO 1537CO 0.70 0.37 0.03 1.05 -0.21 0.00 0.00 178.00 179.93 1xwe h GLU 1538N 0.57 0.00 -4.61 1.05 4.11 -1.95 -3.38 114.58 110.38 1xwe h GLU 1538Ca 0.32 0.00 -0.70 0.00 0.07 0.00 0.00 59.36 59.04 1xwe h GLU 1538Cb 0.30 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.32 1xwe h GLU 1538CO -0.24 0.00 -0.50 0.42 0.07 0.00 0.00 179.01 178.76 1xwe s ILE 1539N -4.40 4.77 -0.12 -1.06 -1.09 -0.17 -1.56 121.20 117.57 1xwe s ILE 1539Ca -0.05 -0.70 -0.06 0.00 -2.23 0.00 0.00 60.65 57.61 1xwe s ILE 1539Cb 0.14 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.37 1xwe s ILE 1539CO 0.47 -0.18 0.03 0.00 -1.23 0.00 0.00 174.94 174.04 1xwe h ALA 1540N 8.47 0.01 -2.23 9.38 0.00 -1.18 -3.41 119.26 130.31 1xwe h ALA 1540Ca -0.27 -0.23 -0.51 0.00 0.00 0.00 0.00 54.91 53.89 1xwe h ALA 1540Cb 1.12 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1xwe h ALA 1540CO 0.67 0.16 -0.54 1.52 0.00 0.00 0.00 179.25 181.06 1xwe s TYR 1541N -1.83 3.06 -0.27 0.00 -0.85 -0.30 -4.68 117.35 112.47 1xwe s TYR 1541Ca -0.07 -0.12 -0.01 0.00 -0.52 0.00 0.00 57.07 56.36 1xwe s TYR 1541Cb 0.01 -1.38 0.14 0.00 0.38 0.00 0.00 41.96 41.10 1xwe s TYR 1541CO 0.15 0.53 0.33 0.00 -1.52 0.00 0.00 175.55 175.04 1xwe s ALA 1542N -2.14 -0.71 0.33 9.51 0.00 -0.86 -1.55 121.76 126.34 1xwe s ALA 1542Ca 0.33 0.03 -0.07 0.00 0.00 0.00 0.00 51.96 52.25 1xwe s ALA 1542Cb -0.08 -1.80 0.01 0.00 0.00 0.00 0.00 23.12 21.25 1xwe s ALA 1542CO 0.24 -1.61 0.53 1.52 0.00 0.00 0.00 175.76 176.44 1xwe s TYR 1543N 2.43 0.78 -0.03 0.00 -0.85 -0.85 0.30 117.35 119.13 1xwe s TYR 1543Ca 0.10 -1.11 0.06 0.00 -0.52 0.00 0.00 57.07 55.59 1xwe s TYR 1543Cb -0.14 0.12 -0.02 0.00 0.38 0.00 0.00 41.96 42.30 1xwe s TYR 1543CO -0.28 -1.19 -0.20 -1.59 -1.52 0.00 0.00 175.55 170.78 1xwe s LYS 1544N -3.09 2.29 0.17 -3.49 -2.85 -0.97 -1.66 119.74 110.13 1xwe s LYS 1544Ca 0.27 -0.83 0.02 0.00 -1.00 0.00 0.00 55.97 54.43 1xwe s LYS 1544Cb -0.01 -2.21 -0.01 0.00 -2.06 0.00 0.00 37.83 33.54 1xwe s LYS 1544CO 0.17 0.59 0.09 1.33 0.10 0.00 0.00 175.35 177.63 1xwe n VAL 1545N 2.29 0.00 -3.68 1.79 0.24 -0.50 -1.12 118.33 117.35 1xwe n VAL 1545Ca -0.17 -1.09 -0.10 0.00 -2.04 0.00 0.00 64.34 60.94 1xwe n VAL 1545Cb 0.52 0.45 -0.11 0.00 -1.47 0.00 0.00 33.84 33.23 1xwe n VAL 1545CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1xwe s SER 1546N -2.11 -0.27 0.46 -1.34 0.15 -0.72 -2.07 113.70 107.81 1xwe s SER 1546Ca 0.13 0.86 -0.25 0.00 0.70 0.00 0.00 55.95 57.39 1xwe s SER 1546Cb 0.01 0.96 -0.08 0.00 -1.71 0.00 0.00 66.02 65.20 1xwe s SER 1546CO 0.09 -0.21 1.39 -0.63 1.20 0.00 0.00 173.24 175.07 1xwe s ILE 1547N 2.01 2.20 0.00 6.45 -1.09 -0.95 -2.12 121.20 127.71 1xwe s ILE 1547Ca -0.05 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 1xwe s ILE 1547Cb -0.10 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.68 1xwe s ILE 1547CO -0.12 0.02 0.00 0.35 -1.23 0.00 0.00 174.94 173.96 1xwe n THR 1548N -0.26 0.00 -3.66 2.92 -2.24 -0.81 -3.09 114.28 107.14 1xwe n THR 1548Ca 0.06 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.73 1xwe n THR 1548Cb 0.43 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.55 1xwe n THR 1548CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xwe s SER 1549N -1.10 -0.20 -0.02 3.42 0.15 -0.09 -4.88 113.70 110.97 1xwe s SER 1549Ca 0.00 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1xwe s SER 1549Cb 0.00 0.46 0.03 0.00 -1.71 0.00 0.00 66.02 64.80 1xwe s SER 1549CO 0.00 -0.83 0.02 -0.63 1.20 0.00 0.00 173.24 173.00 1xwe s ILE 1550N -3.73 0.00 -0.20 6.45 1.01 -1.26 -1.75 121.20 121.72 1xwe s ILE 1550Ca 0.03 0.17 -0.05 0.00 0.00 0.00 0.00 60.65 60.80 1xwe s ILE 1550Cb 0.02 -0.12 0.07 0.00 0.01 0.00 0.00 42.46 42.44 1xwe s ILE 1550CO -0.11 0.10 0.12 -0.89 0.00 0.00 0.00 174.94 174.15 1xwe s THR 1551N 1.00 -0.12 -0.04 2.92 2.01 -0.74 -4.98 115.64 115.69 1xwe s THR 1551Ca -0.09 -0.27 -0.20 0.00 0.31 0.00 0.00 61.69 61.44 1xwe s THR 1551Cb -0.12 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.67 1xwe s THR 1551CO -0.03 -0.36 0.56 -0.69 -0.69 0.00 0.00 174.62 173.42 1xwe s VAL 1552N 2.16 4.99 0.00 3.82 1.01 -1.26 -0.55 120.40 130.58 1xwe s VAL 1552Ca 0.04 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1xwe s VAL 1552Cb -0.16 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1xwe s VAL 1552CO -0.15 0.39 0.00 -0.62 0.00 0.00 0.00 175.10 174.72 1xwe n GLU 1553N 2.97 1.30 -0.32 2.72 -0.58 -1.24 -4.90 120.64 120.60 1xwe n GLU 1553Ca -0.07 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.64 1xwe n GLU 1553Cb 0.51 0.00 0.09 0.00 -0.57 0.00 0.00 31.44 31.47 1xwe n GLU 1553CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1xwe h ASN 1554N 0.00 0.98 0.00 1.62 -0.26 -2.02 -3.42 115.58 112.48 1xwe h ASN 1554Ca 0.00 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1xwe h ASN 1554Cb 0.00 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.02 1xwe h ASN 1554CO 0.00 0.71 -0.09 0.52 -1.06 0.00 0.00 177.43 177.51 1xwe n VAL 1555N -4.49 0.15 -2.63 2.81 0.31 -1.26 -5.03 118.33 108.19 1xwe n VAL 1555Ca 0.10 0.05 -0.42 0.00 -0.01 0.00 0.00 64.34 64.05 1xwe n VAL 1555Cb 0.03 -0.72 -0.03 0.00 -0.91 0.00 0.00 33.84 32.21 1xwe n VAL 1555CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1xwe s PHE 1556N -2.00 2.59 0.43 3.52 0.08 -1.26 -3.61 117.98 117.74 1xwe s PHE 1556Ca 0.00 0.24 -0.24 0.00 0.12 0.00 0.00 56.93 57.05 1xwe s PHE 1556Cb 0.00 -4.45 -0.08 0.00 -0.57 0.00 0.00 43.02 37.93 1xwe s PHE 1556CO 0.00 -1.62 1.18 0.08 -0.10 0.00 0.00 175.22 174.76 1xwe s VAL 1557N 4.86 3.09 0.14 -0.44 1.01 0.13 -3.60 120.40 125.59 1xwe s VAL 1557Ca 0.39 0.87 0.11 0.00 0.00 0.00 0.00 61.98 63.35 1xwe s VAL 1557Cb -0.09 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1xwe s VAL 1557CO 0.22 0.04 -0.26 -0.54 0.00 0.00 0.00 175.10 174.56 1xwe s LYS 1558N -2.49 1.42 -0.03 2.72 -0.14 0.29 -0.79 119.74 120.72 1xwe s LYS 1558Ca 0.60 -1.38 -0.01 0.00 -1.36 0.00 0.00 55.97 53.82 1xwe s LYS 1558Cb -0.30 -1.89 0.03 0.00 -1.68 0.00 0.00 37.83 33.99 1xwe s LYS 1558CO 0.37 0.44 0.04 0.71 -0.76 0.00 0.00 175.35 176.16 1xwe s TYR 1559N -1.17 0.06 -0.17 3.18 2.02 0.66 -1.80 117.35 120.13 1xwe s TYR 1559Ca 0.15 0.18 -0.07 0.00 -0.37 0.00 0.00 57.07 56.96 1xwe s TYR 1559Cb -0.10 -0.35 -0.04 0.00 -0.40 0.00 0.00 41.96 41.07 1xwe s TYR 1559CO 0.07 -0.14 0.06 0.21 -1.57 0.00 0.00 175.55 174.18 1xwe s LYS 1560N 1.55 3.89 0.14 -0.62 2.47 -0.72 -0.14 119.74 126.32 1xwe s LYS 1560Ca -0.03 -0.33 -0.02 0.00 -1.56 0.00 0.00 55.97 54.03 1xwe s LYS 1560Cb -0.13 -3.19 0.01 0.00 -1.46 0.00 0.00 37.83 33.06 1xwe s LYS 1560CO -0.03 0.33 0.22 0.00 0.16 0.00 0.00 175.35 176.03 1xwe n ALA 1561N 3.34 -0.23 -3.38 3.13 0.00 -0.98 -0.91 120.51 121.48 1xwe n ALA 1561Ca -0.17 -0.63 -0.22 0.00 0.00 0.00 0.00 53.44 52.42 1xwe n ALA 1561Cb 0.52 0.51 -0.16 0.00 0.00 0.00 0.00 19.45 20.32 1xwe n ALA 1561CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xwe s THR 1562N -2.60 0.84 -0.51 0.00 2.01 -0.90 -3.00 115.64 111.49 1xwe s THR 1562Ca 0.11 -0.33 -0.28 0.00 0.31 0.00 0.00 61.69 61.49 1xwe s THR 1562Cb -0.01 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.74 1xwe s THR 1562CO 0.08 0.28 1.35 -0.22 -0.69 0.00 0.00 174.62 175.42 1xwe s LEU 1563N 0.59 3.49 0.01 4.42 2.96 -1.08 -1.75 118.68 127.32 1xwe s LEU 1563Ca -0.10 0.46 -0.26 0.00 -0.22 0.00 0.00 54.13 54.01 1xwe s LEU 1563Cb -0.13 -3.29 -0.15 0.00 0.50 0.00 0.00 46.19 43.12 1xwe s LEU 1563CO 0.02 -1.54 1.10 -0.07 -1.32 0.00 0.00 176.35 174.54 1xwe h LEU 1564N 12.44 -0.69 -8.06 -0.68 -0.00 -1.39 0.41 115.31 117.34 1xwe h LEU 1564Ca -0.26 -0.01 -0.13 0.00 -0.00 0.00 0.00 57.88 57.47 1xwe h LEU 1564Cb 1.09 0.18 -0.17 0.00 -0.00 0.00 0.00 40.66 41.76 1xwe h LEU 1564CO 1.14 -0.31 -0.62 -0.62 -0.00 0.00 0.00 178.44 178.03 1xwe s ASP 1565N -4.62 0.33 -0.28 -0.43 -1.08 -1.03 -3.70 116.67 105.87 1xwe s ASP 1565Ca -0.14 -0.75 -0.09 0.00 -0.52 0.00 0.00 52.55 51.06 1xwe s ASP 1565Cb 0.02 0.20 -0.02 0.00 -1.46 0.00 0.00 42.92 41.65 1xwe s ASP 1565CO 0.44 -0.52 0.13 -0.63 0.52 0.00 0.00 175.17 175.10 1xwe s ILE 1566N -3.06 4.61 -0.67 4.11 -1.09 -1.26 -2.28 121.20 121.55 1xwe s ILE 1566Ca -0.01 -0.21 0.21 0.00 -2.23 0.00 0.00 60.65 58.42 1xwe s ILE 1566Cb 0.02 -3.24 -0.27 0.00 -1.58 0.00 0.00 42.46 37.39 1xwe s ILE 1566CO -0.07 0.21 0.76 -1.22 -1.23 0.00 0.00 174.94 173.40 1xwe n TYR 1567N 4.97 0.00 -3.27 3.97 4.02 -0.22 -4.87 117.16 121.78 1xwe n TYR 1567Ca -0.15 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.77 1xwe n TYR 1567Cb 0.51 -0.17 -0.02 0.00 -0.02 0.00 0.00 39.34 39.64 1xwe n TYR 1567CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1xwe s LYS 1568N -3.17 0.45 0.48 -0.72 2.20 0.15 -4.88 119.74 114.25 1xwe s LYS 1568Ca 0.03 0.90 -0.20 0.00 -0.36 0.00 0.00 55.97 56.34 1xwe s LYS 1568Cb 0.15 0.52 -0.12 0.00 -1.51 0.00 0.00 37.83 36.87 1xwe s LYS 1568CO 0.88 -0.39 0.32 2.41 -0.36 0.00 0.00 175.35 178.21 1xwe n THR 1569N 5.39 1.35 -4.07 3.43 -1.04 -1.26 -2.04 114.28 116.04 1xwe n THR 1569Ca -0.05 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.05 61.17 1xwe n THR 1569Cb 0.51 -0.39 -0.06 0.00 -1.82 0.00 0.00 70.33 68.58 1xwe n THR 1569CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1xwe s GLY 1570N -1.04 1.90 0.00 3.41 0.00 -1.26 -4.18 107.32 106.15 1xwe s GLY 1570Ca 0.63 -1.10 0.27 0.00 0.00 0.00 0.00 44.72 44.52 1xwe s GLY 1570CO 0.59 -1.10 1.96 1.18 0.00 0.00 0.00 173.10 175.74 1xwe n GLU 1571N 0.17 0.63 -3.69 2.90 -0.58 -1.26 -4.09 120.64 114.72 1xwe n GLU 1571Ca -0.09 0.02 -0.28 0.00 -0.42 0.00 0.00 57.16 56.39 1xwe n GLU 1571Cb 0.53 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.78 1xwe n GLU 1571CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xwe s ALA 1572N -2.28 2.79 -0.25 0.62 0.00 -1.26 -4.96 121.76 116.42 1xwe s ALA 1572Ca 0.34 -3.24 -0.22 0.00 0.00 0.00 0.00 51.96 48.84 1xwe s ALA 1572Cb 0.19 -1.93 0.03 0.00 0.00 0.00 0.00 23.12 21.41 1xwe s ALA 1572CO 0.36 -2.05 0.37 1.55 0.00 0.00 0.00 175.76 176.00 1xwe n VAL 1573N 2.38 -2.54 -3.98 0.00 3.14 -1.26 -4.90 118.33 111.18 1xwe n VAL 1573Ca 0.23 0.14 -0.35 0.00 -2.96 0.00 0.00 64.34 61.40 1xwe n VAL 1573Cb 0.40 -2.57 -0.12 0.00 -1.06 0.00 0.00 33.84 30.49 1xwe n VAL 1573CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xwe s ALA 1574N -1.01 3.11 0.04 1.55 0.00 -1.26 -4.98 121.76 119.22 1xwe s ALA 1574Ca 0.22 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.21 1xwe s ALA 1574Cb -0.02 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.20 1xwe s ALA 1574CO 0.49 -0.20 -0.10 -2.00 0.00 0.00 0.00 175.76 173.95 1xwe s GLU 1575N 1.09 0.63 0.00 0.00 2.12 -1.26 -4.63 118.70 116.65 1xwe s GLU 1575Ca 0.03 -0.74 -0.05 0.00 0.36 0.00 0.00 54.97 54.58 1xwe s GLU 1575Cb -0.14 -0.50 -0.20 0.00 0.26 0.00 0.00 34.13 33.54 1xwe s GLU 1575CO 0.02 0.11 3.11 0.36 -0.54 0.00 0.00 175.26 178.32 1xwe n LYS 1576N 1.64 1.68 0.00 4.30 2.85 -1.26 -2.57 118.16 124.79 1xwe n LYS 1576Ca -0.21 -0.75 0.00 0.00 -1.05 0.00 0.00 58.31 56.30 1xwe n LYS 1576Cb 0.55 -1.79 0.00 0.00 -0.65 0.00 0.00 35.03 33.14 1xwe n LYS 1576CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1xwe n ASP 1577N 2.35 0.00 -2.60 -5.58 2.03 0.14 -4.26 116.55 108.64 1xwe n ASP 1577Ca 0.32 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.58 1xwe n ASP 1577Cb 0.78 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 41.22 1xwe n ASP 1577CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1xwe n SER 1578N 0.00 -0.90 -4.87 1.67 3.41 -1.06 -4.71 113.62 107.15 1xwe n SER 1578Ca 0.00 -0.72 -0.31 0.00 -0.26 0.00 0.00 58.87 57.58 1xwe n SER 1578Cb 0.00 -0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 1xwe n SER 1578CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1xwe s GLU 1579N -3.43 3.27 -0.02 4.33 2.12 -1.26 -2.64 118.70 121.06 1xwe s GLU 1579Ca 0.12 -0.51 -0.05 0.00 0.36 0.00 0.00 54.97 54.89 1xwe s GLU 1579Cb -0.01 -2.95 0.00 0.00 0.26 0.00 0.00 34.13 31.44 1xwe s GLU 1579CO 0.09 0.60 0.11 0.96 -0.54 0.00 0.00 175.26 176.49 1xwe s ILE 1580N -1.46 0.05 -0.31 -3.70 -4.36 -1.16 -4.85 121.20 105.41 1xwe s ILE 1580Ca 0.33 -0.44 -0.01 0.00 -0.26 0.00 0.00 60.65 60.26 1xwe s ILE 1580Cb -0.13 -0.31 0.10 0.00 1.25 0.00 0.00 42.46 43.37 1xwe s ILE 1580CO 0.26 -0.24 0.11 -0.89 0.24 0.00 0.00 174.94 174.41 1xwe s THR 1581N -0.81 0.67 -0.39 8.37 2.01 -1.26 -2.31 115.64 121.92 1xwe s THR 1581Ca -0.09 -1.27 -0.28 0.00 0.31 0.00 0.00 61.69 60.36 1xwe s THR 1581Cb -0.05 -1.52 0.02 0.00 0.01 0.00 0.00 72.50 70.96 1xwe s THR 1581CO 0.01 -0.69 1.04 -0.36 -0.69 0.00 0.00 174.62 173.92 1xwe s PHE 1582N 1.71 3.02 -0.40 4.92 0.08 0.81 -0.09 117.98 128.03 1xwe s PHE 1582Ca 0.10 0.88 -0.15 0.00 0.12 0.00 0.00 56.93 57.88 1xwe s PHE 1582Cb -0.17 -3.91 0.01 0.00 -0.57 0.00 0.00 43.02 38.39 1xwe s PHE 1582CO -0.28 -0.95 0.32 -1.50 -0.10 0.00 0.00 175.22 172.72 1xwe s ILE 1583N 3.83 5.23 0.13 0.64 2.07 0.40 -0.24 121.20 133.26 1xwe s ILE 1583Ca 0.43 -0.50 0.07 0.00 -1.41 0.00 0.00 60.65 59.24 1xwe s ILE 1583Cb -0.11 -3.91 -0.04 0.00 0.13 0.00 0.00 42.46 38.53 1xwe s ILE 1583CO 0.22 -0.27 -0.03 -0.75 -1.91 0.00 0.00 174.94 172.19 1xwe s LYS 1584N 1.79 2.35 0.84 3.50 2.20 0.03 -1.85 119.74 128.60 1xwe s LYS 1584Ca 0.07 -1.03 -0.08 0.00 -0.36 0.00 0.00 55.97 54.57 1xwe s LYS 1584Cb -0.18 -2.38 0.18 0.00 -1.51 0.00 0.00 37.83 33.94 1xwe s LYS 1584CO 0.11 0.49 1.15 1.63 -0.36 0.00 0.00 175.35 178.37 1xwe n LYS 1585N 0.28 -0.67 0.07 4.03 5.02 -1.26 0.17 118.16 125.80 1xwe n LYS 1585Ca -0.11 -2.40 0.09 0.00 -2.02 0.00 0.00 58.31 53.86 1xwe n LYS 1585Cb 0.54 -0.99 -0.04 0.00 -0.02 0.00 0.00 35.03 34.51 1xwe n LYS 1585CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1xwe n VAL 1586N -3.32 0.71 0.08 -0.18 3.14 -1.24 -4.05 118.33 113.47 1xwe n VAL 1586Ca 0.17 -0.58 -0.08 0.00 -2.96 0.00 0.00 64.34 60.89 1xwe n VAL 1586Cb 0.58 -0.40 0.03 0.00 -1.06 0.00 0.00 33.84 33.00 1xwe n VAL 1586CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 1xwe h THR 1587N 0.00 1.45 -1.78 1.55 1.35 -1.95 -3.43 112.91 110.10 1xwe h THR 1587Ca -0.04 -2.36 -0.57 0.00 -0.55 0.00 0.00 66.41 62.88 1xwe h THR 1587Cb 1.15 2.28 -0.00 0.00 -1.73 0.00 0.00 68.15 69.85 1xwe h THR 1587CO 0.01 0.69 1.52 0.00 -0.25 0.00 0.00 175.52 177.50 1xwe n THR 1589N 7.76 0.65 0.12 0.00 -1.04 -1.24 -4.41 114.28 116.12 1xwe n THR 1589Ca 0.33 -0.58 0.02 0.00 -2.04 0.00 0.00 64.05 61.79 1xwe n THR 1589Cb 0.44 -0.28 0.01 0.00 -1.82 0.00 0.00 70.33 68.68 1xwe n THR 1589CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1xwe h ASN 1590N 0.00 0.00 -3.52 8.00 -0.00 -1.66 -3.43 115.58 114.97 1xwe h ASN 1590Ca -0.26 0.00 -0.66 0.00 -0.00 0.00 0.00 56.30 55.39 1xwe h ASN 1590Cb 1.50 0.00 -0.16 0.00 -0.00 0.00 0.00 38.32 39.67 1xwe h ASN 1590CO 0.01 0.51 0.12 0.00 -0.00 0.00 0.00 177.43 178.07 1xwe s ALA 1591N -2.96 3.35 -0.00 1.57 0.00 -1.25 -4.54 121.76 117.92 1xwe s ALA 1591Ca 0.03 -1.30 0.03 0.00 0.00 0.00 0.00 51.96 50.73 1xwe s ALA 1591Cb 0.08 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1xwe s ALA 1591CO 0.75 -1.84 -0.11 -1.21 0.00 0.00 0.00 175.76 173.36 1xwe s GLU 1592N 2.82 0.83 0.03 0.00 2.02 -1.26 -4.97 118.70 118.16 1xwe s GLU 1592Ca 0.21 -0.42 0.06 0.00 0.02 0.00 0.00 54.97 54.85 1xwe s GLU 1592Cb -0.15 -0.80 -0.02 0.00 0.10 0.00 0.00 34.13 33.26 1xwe s GLU 1592CO 0.18 0.22 -0.18 -0.51 0.02 0.00 0.00 175.26 174.98 1xwe s LEU 1593N -0.37 2.14 -0.05 1.80 1.43 -1.26 -5.13 118.68 117.24 1xwe s LEU 1593Ca 0.03 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1xwe s LEU 1593Cb -0.05 -0.85 -0.03 0.00 0.03 0.00 0.00 46.19 45.29 1xwe s LEU 1593CO -0.00 0.14 -0.06 -0.69 0.23 0.00 0.00 176.35 175.96 1xwe s VAL 1594N -0.73 3.75 -0.55 -1.59 1.01 -1.26 -5.07 120.40 115.95 1xwe s VAL 1594Ca 0.06 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 1xwe s VAL 1594Cb -0.08 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 33.76 1xwe s VAL 1594CO 0.01 0.53 1.25 -0.75 0.00 0.00 0.00 175.10 176.14 1xwe s LYS 1595N -1.02 3.50 0.00 2.72 2.20 -1.26 -3.11 119.74 122.77 1xwe s LYS 1595Ca 0.14 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.13 1xwe s LYS 1595Cb -0.11 -4.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 1xwe s LYS 1595CO 0.04 -1.70 0.00 0.41 -0.36 0.00 0.00 175.35 173.74 1xwe n GLY 1596N 5.08 2.12 3.91 5.54 0.00 -1.18 -4.99 105.19 115.68 1xwe n GLY 1596Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1xwe n GLY 1596CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xwe s ARG 1597N 0.00 3.57 -0.03 1.61 3.00 -1.18 -4.83 118.95 121.10 1xwe s ARG 1597Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 55.73 55.85 1xwe s ARG 1597Cb 0.00 -2.44 -0.04 0.00 0.00 0.00 0.00 34.95 32.47 1xwe s ARG 1597CO 0.00 -0.10 0.13 -0.65 0.00 0.00 0.00 175.30 174.68 1xwe s GLN 1598N -4.47 3.27 0.05 3.54 -0.21 -1.26 -2.24 119.66 118.35 1xwe s GLN 1598Ca 0.47 -0.36 -0.04 0.00 0.02 0.00 0.00 55.36 55.44 1xwe s GLN 1598Cb -0.10 -3.00 -0.02 0.00 1.00 0.00 0.00 33.01 30.89 1xwe s GLN 1598CO 0.41 0.68 0.07 0.71 -2.12 0.00 0.00 175.29 175.03 1xwe s TYR 1599N -1.21 0.31 -0.25 0.91 2.02 -0.88 -1.41 117.35 116.83 1xwe s TYR 1599Ca 0.23 -0.73 -0.08 0.00 -0.37 0.00 0.00 57.07 56.11 1xwe s TYR 1599Cb -0.12 -0.21 -0.04 0.00 -0.40 0.00 0.00 41.96 41.19 1xwe s TYR 1599CO 0.14 -0.41 0.10 -1.17 -1.57 0.00 0.00 175.55 172.65 1xwe s LEU 1600N -2.58 3.63 -0.15 -1.29 2.96 -0.09 -1.41 118.68 119.76 1xwe s LEU 1600Ca 0.02 -0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 53.79 1xwe s LEU 1600Cb 0.03 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 1xwe s LEU 1600CO -0.08 -0.02 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.16 1xwe s ILE 1601N 1.57 2.83 -0.09 6.68 1.09 -0.67 -2.12 121.20 130.50 1xwe s ILE 1601Ca 0.06 -0.72 -0.03 0.00 -1.10 0.00 0.00 60.65 58.86 1xwe s ILE 1601Cb -0.15 -2.20 0.05 0.00 -1.06 0.00 0.00 42.46 39.09 1xwe s ILE 1601CO 0.06 0.51 0.13 -0.04 -0.10 0.00 0.00 174.94 175.50 1xwe s MET 1602N 0.74 0.01 0.00 2.79 -1.94 -0.73 -2.01 119.30 118.16 1xwe s MET 1602Ca -0.06 0.43 -0.22 0.00 -1.71 0.00 0.00 55.69 54.14 1xwe s MET 1602Cb -0.15 -0.53 0.07 0.00 2.01 0.00 0.00 34.83 36.22 1xwe s MET 1602CO 0.01 -0.37 0.99 0.41 -0.01 0.00 0.00 175.02 176.05 1xwe n GLY 1603N 5.31 0.36 3.59 -0.03 0.00 -0.60 -1.43 105.19 112.40 1xwe n GLY 1603Ca -0.04 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 1xwe n GLY 1603CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xwe n LYS 1604N -0.71 0.18 -0.52 1.61 3.00 -0.60 -0.85 118.16 120.27 1xwe n LYS 1604Ca 0.03 0.12 -0.29 0.00 -0.00 0.00 0.00 58.31 58.17 1xwe n LYS 1604Cb 0.46 -2.20 0.24 0.00 0.00 0.00 0.00 35.03 33.53 1xwe n LYS 1604CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1xwe n GLU 1605N -2.34 -2.41 -3.17 1.64 0.28 -1.26 -4.66 120.64 108.72 1xwe n GLU 1605Ca 0.12 -0.68 -0.41 0.00 -0.16 0.00 0.00 57.16 56.03 1xwe n GLU 1605Cb 0.51 -2.01 -0.07 0.00 1.43 0.00 0.00 31.44 31.30 1xwe n GLU 1605CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xwe s ALA 1606N -2.33 3.50 -0.86 -1.84 0.00 -1.26 -4.97 121.76 113.99 1xwe s ALA 1606Ca 0.65 -0.83 -0.19 0.00 0.00 0.00 0.00 51.96 51.60 1xwe s ALA 1606Cb -0.21 -3.07 0.13 0.00 0.00 0.00 0.00 23.12 19.97 1xwe s ALA 1606CO 0.66 -1.17 1.04 -0.51 0.00 0.00 0.00 175.76 175.78 1xwe s LEU 1607N 2.54 5.20 0.00 0.00 1.43 -1.26 -4.69 118.68 121.90 1xwe s LEU 1607Ca 0.22 -1.96 0.00 0.00 -1.03 0.00 0.00 54.13 51.37 1xwe s LEU 1607Cb -0.15 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.70 1xwe s LEU 1607CO 0.13 -1.05 0.00 0.00 0.23 0.00 0.00 176.35 175.66 1xwe n GLN 1608N 6.37 0.00 -1.77 1.70 1.13 -1.26 -4.94 117.38 118.60 1xwe n GLN 1608Ca 0.17 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 1xwe n GLN 1608Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.83 1xwe n GLN 1608CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1xwe n ILE 1609N -0.46 -9.91 -2.33 5.09 5.41 -1.26 -4.59 119.36 111.31 1xwe n ILE 1609Ca 0.00 2.26 -0.40 0.00 1.00 0.00 0.00 62.75 65.61 1xwe n ILE 1609Cb 0.00 -4.83 -0.03 0.00 -0.71 0.00 0.00 39.64 34.07 1xwe n ILE 1609CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1xwe s LYS 1610N -1.21 3.03 -0.18 0.38 2.20 -1.26 -3.21 119.74 119.48 1xwe s LYS 1610Ca 0.00 0.24 -0.25 0.00 -0.36 0.00 0.00 55.97 55.61 1xwe s LYS 1610Cb 0.00 -4.24 0.06 0.00 -1.51 0.00 0.00 37.83 32.15 1xwe s LYS 1610CO 0.00 -2.30 0.65 -0.47 -0.36 0.00 0.00 175.35 172.87 1xwe s TYR 1611N 6.98 -0.68 0.00 4.03 5.04 -1.26 -4.77 117.35 126.68 1xwe s TYR 1611Ca 0.51 1.53 0.00 0.00 -2.44 0.00 0.00 57.07 56.67 1xwe s TYR 1611Cb -0.10 0.28 0.00 0.00 0.35 0.00 0.00 41.96 42.49 1xwe s TYR 1611CO 0.20 -0.42 0.00 0.09 -1.34 0.00 0.00 175.55 174.08 1xwe n ASN 1612N 2.18 0.00 -0.41 4.32 3.02 -1.26 -1.66 115.26 121.45 1xwe n ASN 1612Ca -0.16 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.53 1xwe n ASN 1612Cb 0.56 0.00 0.58 0.00 -0.61 0.00 0.00 39.78 40.31 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xwe n ALA 1613N 3.02 2.59 -2.72 5.41 0.00 -1.26 -5.00 120.51 122.55 1xwe n ALA 1613Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 53.44 53.01 1xwe n ALA 1613Cb 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 1xwe n ALA 1613CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xwe n SER 1614N -0.00 -5.79 -0.09 0.00 7.64 -0.67 -4.99 113.62 109.71 1xwe n SER 1614Ca 0.20 1.35 -0.23 0.00 1.01 0.00 0.00 58.87 61.21 1xwe n SER 1614Cb 0.31 -5.05 -0.12 0.00 -1.01 0.00 0.00 64.21 58.34 1xwe n SER 1614CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1xwe n PHE 1615N 1.07 0.95 -1.04 1.43 3.72 -1.20 -4.81 117.46 117.58 1xwe n PHE 1615Ca -0.12 0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.65 1xwe n PHE 1615Cb 0.22 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 37.66 1xwe n PHE 1615CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1xwe n ARG 1616N -4.25 -2.91 -1.70 -1.08 0.63 -1.24 -4.81 116.66 101.30 1xwe n ARG 1616Ca -0.34 2.10 -0.43 0.00 -0.92 0.00 0.00 57.85 58.26 1xwe n ARG 1616Cb 0.76 -2.32 -0.03 0.00 0.45 0.00 0.00 32.46 31.32 1xwe n ARG 1616CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1xwe n TYR 1617N 0.06 2.60 -3.33 -0.14 4.01 -1.26 -4.40 117.16 114.70 1xwe n TYR 1617Ca 0.00 -0.01 -0.11 0.00 -0.16 0.00 0.00 57.90 57.62 1xwe n TYR 1617Cb 0.00 -2.68 -0.07 0.00 -0.31 0.00 0.00 39.34 36.28 1xwe n TYR 1617CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1xwe s ILE 1618N 1.94 -0.57 -0.29 -0.72 -4.36 -1.26 -4.61 121.20 111.33 1xwe s ILE 1618Ca 0.79 -0.34 -0.30 0.00 -0.26 0.00 0.00 60.65 60.55 1xwe s ILE 1618Cb -0.53 -0.98 -0.07 0.00 1.25 0.00 0.00 42.46 42.13 1xwe s ILE 1618CO 0.36 -0.33 2.24 -1.22 0.24 0.00 0.00 174.94 176.24 1xwe n TYR 1619N 5.34 1.80 -2.48 1.37 4.02 0.87 -4.52 117.16 123.56 1xwe n TYR 1619Ca -0.00 0.01 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 1xwe n TYR 1619Cb 0.49 -2.66 -0.04 0.00 -0.02 0.00 0.00 39.34 37.10 1xwe n TYR 1619CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1xwe s PRO 1620N 6.56 4.27 -0.69 -0.72 0.04 -1.26 -0.46 135.00 142.74 1xwe s PRO 1620Ca 1.03 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 63.61 1xwe s PRO 1620Cb -0.47 -2.75 0.18 0.00 0.04 0.00 0.00 34.50 31.51 1xwe s PRO 1620CO 0.38 -0.08 0.61 -0.51 0.04 0.00 0.00 177.00 177.44 1xwe s LEU 1621N -2.28 6.26 0.51 -3.56 1.02 -0.77 -4.87 118.68 114.98 1xwe s LEU 1621Ca 0.54 -2.45 0.04 0.00 0.02 0.00 0.00 54.13 52.28 1xwe s LEU 1621Cb -0.26 -2.12 0.00 0.00 0.02 0.00 0.00 46.19 43.83 1xwe s LEU 1621CO 0.33 -0.61 0.20 -1.81 0.02 0.00 0.00 176.35 174.48 1xwe s ASP 1622N 2.25 4.38 0.34 2.29 1.11 -1.26 -4.06 116.67 121.72 1xwe s ASP 1622Ca 0.13 -1.40 0.23 0.00 0.18 0.00 0.00 52.55 51.70 1xwe s ASP 1622Cb -0.18 0.33 1.23 0.00 1.07 0.00 0.00 42.92 45.37 1xwe s ASP 1622CO -0.05 -0.91 1.71 0.77 1.18 0.00 0.00 175.17 177.87 1xwe h SER 1623N 1.11 0.00 -0.47 0.27 4.64 -1.83 0.10 113.55 117.37 1xwe h SER 1623Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1xwe h SER 1623Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1xwe h SER 1623CO 0.67 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.63 1xwe n LEU 1624N -2.31 3.53 -4.37 5.97 -0.00 -1.26 -4.65 117.00 113.90 1xwe n LEU 1624Ca -0.01 -1.78 -0.36 0.00 -0.00 0.00 0.00 56.01 53.86 1xwe n LEU 1624Cb 0.06 -0.48 -0.13 0.00 -0.00 0.00 0.00 43.42 42.86 1xwe n LEU 1624CO 0.11 0.61 -0.34 -0.89 -0.00 0.00 0.00 177.39 176.89 1xwe s THR 1625N -1.74 3.79 -0.46 1.47 2.01 0.32 -4.57 115.64 116.46 1xwe s THR 1625Ca 0.37 -0.36 -0.27 0.00 0.31 0.00 0.00 61.69 61.74 1xwe s THR 1625Cb 0.23 -2.75 0.03 0.00 0.01 0.00 0.00 72.50 70.02 1xwe s THR 1625CO 0.18 0.38 1.03 0.86 -0.69 0.00 0.00 174.62 176.38 1xwe s TRP 1626N 1.54 2.88 -0.18 4.92 -0.11 -0.52 -4.63 118.94 122.85 1xwe s TRP 1626Ca 0.06 0.59 0.00 0.00 1.22 0.00 0.00 56.10 57.97 1xwe s TRP 1626Cb -0.15 -4.17 0.04 0.00 -1.50 0.00 0.00 33.47 27.69 1xwe s TRP 1626CO -0.00 -1.16 -0.09 0.42 -4.62 0.00 0.00 176.95 171.50 1xwe s ILE 1627N 4.08 1.45 0.12 5.86 1.01 -1.23 -1.78 121.20 130.70 1xwe s ILE 1627Ca 0.43 -0.84 0.09 0.00 0.00 0.00 0.00 60.65 60.33 1xwe s ILE 1627Cb -0.09 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1xwe s ILE 1627CO 0.28 0.18 -0.22 -0.70 0.00 0.00 0.00 174.94 174.49 1xwe s GLU 1628N 1.49 1.21 -0.38 2.79 2.12 -0.90 -2.96 118.70 122.07 1xwe s GLU 1628Ca 0.00 -1.23 -0.26 0.00 0.36 0.00 0.00 54.97 53.84 1xwe s GLU 1628Cb -0.16 -1.51 0.02 0.00 0.26 0.00 0.00 34.13 32.74 1xwe s GLU 1628CO -0.08 0.35 0.95 -0.47 -0.54 0.00 0.00 175.26 175.47 1xwe s TYR 1629N -1.23 3.06 -0.34 5.30 5.04 -1.26 -0.91 117.35 127.01 1xwe s TYR 1629Ca 0.09 0.79 -0.18 0.00 -2.44 0.00 0.00 57.07 55.33 1xwe s TYR 1629Cb -0.10 -3.72 -0.01 0.00 0.35 0.00 0.00 41.96 38.49 1xwe s TYR 1629CO 0.05 -0.87 0.51 -0.46 -1.34 0.00 0.00 175.55 173.44 1xwe s TRP 1630N 3.57 3.19 -0.48 4.97 -0.11 -0.50 -4.89 118.94 124.69 1xwe s TRP 1630Ca 0.39 0.20 -0.34 0.00 1.22 0.00 0.00 56.10 57.57 1xwe s TRP 1630Cb -0.12 -2.90 -0.13 0.00 -1.50 0.00 0.00 33.47 28.83 1xwe s TRP 1630CO 0.20 -0.51 2.29 -2.30 -4.62 0.00 0.00 176.95 172.00 1xwe n PRO 1631N 5.71 0.81 -0.30 5.86 -0.02 -1.26 -4.17 135.00 141.64 1xwe n PRO 1631Ca -0.05 0.18 0.22 0.00 -2.02 0.00 0.00 63.50 61.83 1xwe n PRO 1631Cb 0.49 -2.36 0.52 0.00 -0.02 0.00 0.00 33.50 32.13 1xwe n PRO 1631CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xwe h ARG 1632N 12.97 0.37 -6.70 -0.52 3.08 -1.94 -3.40 114.38 118.23 1xwe h ARG 1632Ca -0.22 -0.02 -0.68 0.00 0.07 0.00 0.00 59.98 59.13 1xwe h ARG 1632Cb 1.32 -0.08 -0.21 0.00 0.08 0.00 0.00 29.97 31.08 1xwe h ARG 1632CO 1.10 0.24 -0.82 0.34 -1.07 0.00 0.00 179.97 179.76 1xwe s ASP 1633N -5.39 3.72 -0.24 7.04 2.15 -1.26 -5.03 116.67 117.67 1xwe s ASP 1633Ca -0.08 -0.54 0.14 0.00 0.43 0.00 0.00 52.55 52.49 1xwe s ASP 1633Cb 0.24 -0.50 0.74 0.00 -0.30 0.00 0.00 42.92 43.10 1xwe s ASP 1633CO 0.79 0.21 1.68 0.35 -0.17 0.00 0.00 175.17 178.03 1xwe n THR 1634N 1.14 2.69 -3.15 1.71 -2.24 -1.26 -4.67 114.28 108.50 1xwe n THR 1634Ca -0.16 -1.60 -0.19 0.00 -2.27 0.00 0.00 64.05 59.83 1xwe n THR 1634Cb 0.52 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 1xwe n THR 1634CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xwe n THR 1635N 0.17 -0.75 0.00 4.28 -2.24 -1.20 -4.00 114.28 110.54 1xwe n THR 1635Ca 0.29 -2.69 0.00 0.00 -2.27 0.00 0.00 64.05 59.37 1xwe n THR 1635Cb 1.16 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1xwe n THR 1635CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe n SER 1637N -1.39 0.00 0.07 0.00 2.88 -1.26 -4.96 113.62 108.96 1xwe n SER 1637Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1xwe n SER 1637Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1xwe n SER 1637CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1xwe h SER 1638N 0.00 -0.16 0.00 -3.46 0.02 -1.99 -3.50 113.55 104.46 1xwe h SER 1638Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1xwe h SER 1638Cb 0.00 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1xwe h SER 1638CO 0.00 -0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.64 1xwe n GLN 1640N -0.05 1.30 0.00 0.00 6.02 -1.26 -3.25 117.38 120.15 1xwe n GLN 1640Ca 0.00 -3.83 0.00 0.00 -0.01 0.00 0.00 57.00 53.16 1xwe n GLN 1640Cb 0.00 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.49 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xwe n ALA 1641N 1.61 -0.25 0.18 -1.58 0.00 -1.26 -1.96 120.51 117.24 1xwe n ALA 1641Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.78 1xwe n ALA 1641Cb 0.46 0.12 0.10 0.00 0.00 0.00 0.00 19.45 20.13 1xwe n ALA 1641CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1xwe h PHE 1642N 0.00 0.00 0.00 0.00 3.57 -1.96 -3.18 116.94 115.37 1xwe h PHE 1642Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1xwe h PHE 1642Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1xwe h PHE 1642CO -0.08 0.16 0.00 1.28 -2.23 0.00 0.00 178.31 177.44 1xwe n LEU 1643N -3.08 0.00 0.06 0.59 7.99 -1.23 -2.88 117.00 118.45 1xwe n LEU 1643Ca 0.02 0.30 -0.21 0.00 -0.01 0.00 0.00 56.01 56.11 1xwe n LEU 1643Cb 0.60 -0.30 -0.15 0.00 -0.11 0.00 0.00 43.42 43.47 1xwe n LEU 1643CO 0.37 -0.12 -0.07 0.00 -1.51 0.00 0.00 177.39 176.06 1xwe h ALA 1644N 2.85 -0.06 0.00 -1.18 0.00 -1.37 -3.11 119.26 116.39 1xwe h ALA 1644Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1xwe h ALA 1644Cb 0.18 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xwe h ALA 1644CO 0.00 0.49 0.00 0.09 0.00 0.00 0.00 179.25 179.83 1xwe n ASN 1645N -4.04 0.26 0.02 0.00 3.02 -1.14 -2.57 115.26 110.82 1xwe n ASN 1645Ca -0.16 0.55 -0.06 0.00 -0.03 0.00 0.00 54.58 54.89 1xwe n ASN 1645Cb 0.87 -0.61 -0.11 0.00 -0.61 0.00 0.00 39.78 39.32 1xwe n ASN 1645CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1xwe h LEU 1646N 0.00 0.00 -0.84 3.41 3.38 -1.60 -3.32 115.31 116.34 1xwe h LEU 1646Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1xwe h LEU 1646Cb 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1xwe h LEU 1646CO 0.00 0.87 0.23 -0.78 0.09 0.00 0.00 178.44 178.85 1xwe h ASP 1647N 0.00 1.01 0.05 -0.43 3.58 -1.42 -0.93 116.42 118.29 1xwe h ASP 1647Ca -0.18 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.09 1xwe h ASP 1647Cb 1.82 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.61 1xwe h ASP 1647CO 0.08 0.94 -0.03 -0.08 -2.88 0.00 0.00 179.24 177.27 1xwe h GLU 1648N 1.05 -0.07 -0.04 0.28 4.81 -1.69 -2.83 114.58 116.10 1xwe h GLU 1648Ca 0.23 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1xwe h GLU 1648Cb 0.28 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1xwe h GLU 1648CO -0.01 0.16 -0.09 0.35 -0.73 0.00 0.00 179.01 178.69 1xwe h PHE 1649N -0.29 0.06 -0.72 0.92 3.57 -1.62 0.20 116.94 119.05 1xwe h PHE 1649Ca -0.01 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1xwe h PHE 1649Cb 0.26 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 1xwe h PHE 1649CO -0.00 0.15 0.45 0.00 -2.23 0.00 0.00 178.31 176.69 1xwe h ALA 1650N 1.85 0.94 -0.01 2.41 0.00 -0.91 -1.04 119.26 122.50 1xwe h ALA 1650Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xwe h ALA 1650Cb 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xwe h ALA 1650CO 0.01 0.23 -0.36 -1.91 0.00 0.00 0.00 179.25 177.22 1xwe n GLU 1651N -4.65 1.18 0.06 0.00 2.13 -0.97 -3.64 120.64 114.76 1xwe n GLU 1651Ca 0.08 -0.90 0.05 0.00 0.66 0.00 0.00 57.16 57.04 1xwe n GLU 1651Cb 0.09 -1.48 -0.05 0.00 0.27 0.00 0.00 31.44 30.27 1xwe n GLU 1651CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1xwe h ASP 1652N 2.20 0.00 0.26 4.31 3.58 -0.34 -2.67 116.42 123.76 1xwe h ASP 1652Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1xwe h ASP 1652Cb 0.69 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.74 1xwe h ASP 1652CO 0.00 0.34 -1.55 0.00 -2.88 0.00 0.00 179.24 175.14 1xwe n ILE 1653N -2.81 0.15 -0.10 2.25 0.13 -0.45 -1.57 119.36 116.95 1xwe n ILE 1653Ca -0.05 -0.42 -0.24 0.00 -1.10 0.00 0.00 62.75 60.94 1xwe n ILE 1653Cb 0.72 0.07 -0.11 0.00 -0.84 0.00 0.00 39.64 39.47 1xwe n ILE 1653CO 0.00 0.00 0.00 0.33 2.80 0.00 0.00 176.55 179.68 1xwe n PHE 1654N -2.21 0.68 -0.05 9.51 -0.00 -1.24 -3.84 117.46 120.31 1xwe n PHE 1654Ca -0.01 0.26 -0.08 0.00 -0.00 0.00 0.00 57.45 57.62 1xwe n PHE 1654Cb 0.52 -1.07 -0.07 0.00 -0.00 0.00 0.00 39.48 38.86 1xwe n PHE 1654CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1xwe h LEU 1655N -0.80 -0.02 0.00 -2.13 5.85 -1.69 -3.42 115.31 113.10 1xwe h LEU 1655Ca -0.48 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 57.73 1xwe h LEU 1655Cb 1.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.56 1xwe h LEU 1655CO -0.23 0.72 0.00 0.59 -0.34 0.00 0.00 178.44 179.18 1xwe n ASN 1656N -4.71 0.00 -1.09 1.25 5.03 -1.21 -5.07 115.26 109.46 1xwe n ASN 1656Ca -0.05 0.35 0.00 0.00 0.87 0.00 0.00 54.58 55.74 1xwe n ASN 1656Cb 0.25 -0.27 0.00 0.00 -1.02 0.00 0.00 39.78 38.74 1xwe n ASN 1656CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xwe n GLY 1657N 1.77 -4.30 0.00 7.41 0.00 -0.61 -4.99 105.19 104.48 1xwe n GLY 1657Ca 0.00 -0.56 0.16 0.00 0.00 0.00 0.00 46.02 45.61 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32