#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwe n SER 1509N 0.00 0.00 -1.22 1.61 7.64 -1.26 -5.15 113.62 115.24 1xwe n SER 1509Ca 0.00 -1.00 0.10 0.00 1.01 0.00 0.00 58.87 58.98 1xwe n SER 1509Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1xwe n SER 1509CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1xwe n HIS 1510N 0.00 -2.87 -4.15 1.43 -0.00 -1.26 -4.88 115.22 103.50 1xwe n HIS 1510Ca 0.00 0.96 -0.25 0.00 -0.00 0.00 0.00 57.72 58.43 1xwe n HIS 1510Cb 0.48 -1.64 -0.06 0.00 -0.00 0.00 0.00 29.99 28.77 1xwe n HIS 1510CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1xwe s MET 1511N -1.19 2.69 -0.56 -0.41 1.00 -1.26 -5.08 119.30 114.49 1xwe s MET 1511Ca 0.00 -1.03 -0.19 0.00 0.00 0.00 0.00 55.69 54.48 1xwe s MET 1511Cb 0.00 -2.50 0.09 0.00 0.00 0.00 0.00 34.83 32.43 1xwe s MET 1511CO 0.00 0.45 0.66 0.00 0.00 0.00 0.00 175.02 176.13 1xwe s ALA 1512N -1.86 3.43 0.07 3.03 0.00 -1.20 -5.04 121.76 120.19 1xwe s ALA 1512Ca 0.30 -2.13 -0.31 0.00 0.00 0.00 0.00 51.96 49.82 1xwe s ALA 1512Cb -0.09 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 1xwe s ALA 1512CO 0.22 -2.23 1.27 0.16 0.00 0.00 0.00 175.76 175.18 1xwe s ASP 1513N 3.37 6.99 -0.43 0.00 -4.77 -1.26 -2.71 116.67 117.86 1xwe s ASP 1513Ca 0.11 2.12 0.02 0.00 -3.30 0.00 0.00 52.55 51.50 1xwe s ASP 1513Cb -0.23 -2.58 0.52 0.00 -1.09 0.00 0.00 42.92 39.53 1xwe s ASP 1513CO 0.07 -0.54 1.85 0.00 0.70 0.00 0.00 175.17 177.25 1xwe n GLY 1515N -0.81 0.49 3.46 0.00 0.00 -0.96 -2.72 105.19 104.66 1xwe n GLY 1515Ca 0.52 -0.44 -0.49 0.00 0.00 0.00 0.00 46.02 45.61 1xwe n GLY 1515CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xwe n GLN 1516N 0.00 1.05 -1.67 1.61 7.27 -1.26 -4.36 117.38 120.02 1xwe n GLN 1516Ca 0.00 0.26 -0.46 0.00 0.07 0.00 0.00 57.00 56.87 1xwe n GLN 1516Cb 0.00 -2.51 -0.04 0.00 2.41 0.00 0.00 30.24 30.10 1xwe n GLN 1516CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1xwe n MET 1517N 8.30 2.43 -0.64 3.69 2.81 -1.26 -4.93 117.12 127.52 1xwe n MET 1517Ca 0.42 0.89 -0.30 0.00 -1.81 0.00 0.00 57.70 56.90 1xwe n MET 1517Cb 0.25 -2.77 0.26 0.00 -0.71 0.00 0.00 33.22 30.25 1xwe n MET 1517CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1xwe s GLN 1518N 4.05 -1.92 1.24 0.03 -1.52 -1.25 -5.00 119.66 115.29 1xwe s GLN 1518Ca 0.91 0.24 -0.16 0.00 -1.95 0.00 0.00 55.36 54.40 1xwe s GLN 1518Cb -0.60 -1.49 0.31 0.00 -0.22 0.00 0.00 33.01 31.01 1xwe s GLN 1518CO 0.48 -4.24 1.00 -1.21 -0.25 0.00 0.00 175.29 171.07 1xwe s GLU 1519N -5.02 -1.50 0.00 2.91 8.01 -1.26 -4.82 118.70 117.02 1xwe s GLU 1519Ca 0.69 0.56 0.00 0.00 0.01 0.00 0.00 54.97 56.23 1xwe s GLU 1519Cb -0.15 -1.51 0.00 0.00 -4.31 0.00 0.00 34.13 28.16 1xwe s GLU 1519CO 0.59 -4.04 0.00 0.39 0.01 0.00 0.00 175.26 172.21 1xwe n GLU 1520N -5.10 0.00 -3.47 1.61 1.02 -1.26 -4.37 120.64 109.07 1xwe n GLU 1520Ca 0.06 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.77 1xwe n GLU 1520Cb 0.56 -0.04 -0.08 0.00 -0.02 0.00 0.00 31.44 31.86 1xwe n GLU 1520CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1xwe s LEU 1521N -1.16 5.61 -0.22 -4.62 1.02 -1.26 -4.79 118.68 113.25 1xwe s LEU 1521Ca 0.00 -1.59 -0.04 0.00 0.02 0.00 0.00 54.13 52.52 1xwe s LEU 1521Cb 0.00 -2.10 0.09 0.00 0.02 0.00 0.00 46.19 44.20 1xwe s LEU 1521CO 0.00 -0.66 0.16 -1.81 0.02 0.00 0.00 176.35 174.06 1xwe s ASP 1522N 2.67 2.22 0.00 2.29 1.11 -1.26 -4.99 116.67 118.70 1xwe s ASP 1522Ca 0.04 -0.65 0.16 0.00 0.18 0.00 0.00 52.55 52.28 1xwe s ASP 1522Cb -0.25 0.01 0.93 0.00 1.07 0.00 0.00 42.92 44.67 1xwe s ASP 1522CO 0.03 -0.37 1.36 0.18 1.18 0.00 0.00 175.17 177.55 1xwe n LEU 1523N 5.29 0.00 0.23 1.23 4.77 -1.26 -2.73 117.00 124.53 1xwe n LEU 1523Ca -0.06 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.07 1xwe n LEU 1523Cb 0.47 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 42.05 1xwe n LEU 1523CO 0.07 0.00 0.92 0.71 -1.33 0.00 0.00 177.39 177.76 1xwe h THR 1524N 0.00 0.00 -2.86 -5.08 1.35 -2.02 -3.43 112.91 100.86 1xwe h THR 1524Ca 0.00 -0.64 -0.64 0.00 -0.55 0.00 0.00 66.41 64.57 1xwe h THR 1524Cb 0.00 1.62 -0.08 0.00 -1.73 0.00 0.00 68.15 67.95 1xwe h THR 1524CO 0.00 0.00 -0.46 -0.63 -0.25 0.00 0.00 175.52 174.18 1xwe s ILE 1525N -3.45 5.45 0.77 6.82 1.01 -1.11 -5.10 121.20 125.59 1xwe s ILE 1525Ca 0.04 0.25 -0.03 0.00 0.00 0.00 0.00 60.65 60.91 1xwe s ILE 1525Cb 0.08 -3.44 0.15 0.00 0.01 0.00 0.00 42.46 39.25 1xwe s ILE 1525CO 0.57 0.56 1.05 -0.44 0.00 0.00 0.00 174.94 176.69 1xwe s SER 1526N -0.58 4.09 -0.00 3.58 0.01 -1.26 -5.03 113.70 114.50 1xwe s SER 1526Ca 0.14 -0.34 0.17 0.00 1.31 0.00 0.00 55.95 57.22 1xwe s SER 1526Cb -0.12 0.06 -0.18 0.00 0.21 0.00 0.00 66.02 65.99 1xwe s SER 1526CO 0.03 -2.05 0.65 0.00 0.41 0.00 0.00 173.24 172.28 1xwe n ALA 1527N -2.99 1.89 0.09 1.44 0.00 -1.26 -4.15 120.51 115.52 1xwe n ALA 1527Ca 0.16 -0.69 -0.12 0.00 0.00 0.00 0.00 53.44 52.78 1xwe n ALA 1527Cb 0.60 -0.80 -0.07 0.00 0.00 0.00 0.00 19.45 19.18 1xwe n ALA 1527CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xwe h GLU 1528N 0.00 0.25 -0.18 0.00 4.39 -1.95 -2.59 114.58 114.50 1xwe h GLU 1528Ca -0.23 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.13 1xwe h GLU 1528Cb 1.69 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 30.44 1xwe h GLU 1528CO 0.04 1.09 0.06 1.15 -1.16 0.00 0.00 179.01 180.19 1xwe h THR 1529N 0.11 1.08 0.10 1.13 2.02 -1.98 -1.56 112.91 113.82 1xwe h THR 1529Ca -0.08 -0.27 -0.31 0.00 0.77 0.00 0.00 66.41 66.52 1xwe h THR 1529Cb 1.71 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 1xwe h THR 1529CO 0.16 0.10 -1.60 0.03 0.37 0.00 0.00 175.52 174.58 1xwe h ARG 1530N 0.25 0.21 -0.70 6.66 3.08 -1.71 -3.35 114.38 118.82 1xwe h ARG 1530Ca 0.06 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 1xwe h ARG 1530Cb 0.08 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1xwe h ARG 1530CO -0.01 1.04 0.30 -0.22 -1.07 0.00 0.00 179.97 180.02 1xwe h LYS 1531N 0.06 1.01 0.00 0.04 3.11 -1.04 -1.19 116.57 118.56 1xwe h LYS 1531Ca -0.27 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 57.42 1xwe h LYS 1531Cb 2.01 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 33.06 1xwe h LYS 1531CO 0.14 0.80 0.08 1.96 -2.81 0.00 0.00 179.45 179.62 1xwe h GLN 1532N 1.00 0.00 0.00 1.90 4.20 -1.42 0.17 115.11 120.96 1xwe h GLN 1532Ca 0.24 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.78 1xwe h GLN 1532Cb 0.15 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 1xwe h GLN 1532CO -0.03 0.00 -1.21 1.15 -0.67 0.00 0.00 178.83 178.07 1xwe h THR 1533N 0.00 0.68 -0.63 -0.54 2.02 -1.38 -3.25 112.91 109.81 1xwe h THR 1533Ca 0.00 -2.19 0.02 0.00 0.77 0.00 0.00 66.41 65.00 1xwe h THR 1533Cb 0.16 2.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.74 1xwe h THR 1533CO 0.00 0.39 0.40 0.00 0.37 0.00 0.00 175.52 176.68 1xwe h ALA 1534N 1.38 0.81 -0.10 6.16 0.00 -0.55 -1.47 119.26 125.48 1xwe h ALA 1534Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xwe h ALA 1534Cb 1.59 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1xwe h ALA 1534CO 0.06 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1xwe s LYS 1536N -1.87 4.04 0.22 0.00 2.20 -0.55 -4.92 119.74 118.86 1xwe s LYS 1536Ca 0.34 2.49 -0.08 0.00 -0.36 0.00 0.00 55.97 58.37 1xwe s LYS 1536Cb 0.19 -2.91 0.31 0.00 -1.51 0.00 0.00 37.83 33.91 1xwe s LYS 1536CO 0.29 -0.56 1.78 -1.00 -0.36 0.00 0.00 175.35 175.50 1xwe h PRO 1537N 2.89 0.57 0.00 4.03 0.13 -1.91 0.83 132.00 138.53 1xwe h PRO 1537Ca -0.51 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1xwe h PRO 1537Cb 1.24 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xwe h PRO 1537CO 0.64 0.38 0.00 -0.85 -0.23 0.00 0.00 178.00 177.93 1xwe n GLU 1538N -4.87 0.25 -4.00 0.86 0.28 -1.26 -4.52 120.64 107.38 1xwe n GLU 1538Ca 0.10 0.12 -0.35 0.00 -0.16 0.00 0.00 57.16 56.88 1xwe n GLU 1538Cb 0.26 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.48 1xwe n GLU 1538CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xwe s ILE 1539N -2.46 3.22 -0.07 3.84 -1.09 0.28 -3.25 121.20 121.68 1xwe s ILE 1539Ca 0.15 -0.55 -0.04 0.00 -2.23 0.00 0.00 60.65 57.98 1xwe s ILE 1539Cb 0.10 -2.45 -0.01 0.00 -1.58 0.00 0.00 42.46 38.51 1xwe s ILE 1539CO 0.21 0.44 -0.08 0.00 -1.23 0.00 0.00 174.94 174.28 1xwe h ALA 1540N 7.96 0.00 -2.06 9.38 0.00 -1.01 -3.41 119.26 130.12 1xwe h ALA 1540Ca -0.41 -0.31 -0.51 0.00 0.00 0.00 0.00 54.91 53.68 1xwe h ALA 1540Cb 1.16 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1xwe h ALA 1540CO 0.60 0.22 -0.52 1.52 0.00 0.00 0.00 179.25 181.08 1xwe s TYR 1541N -1.59 2.96 -0.31 0.00 -0.85 -0.55 -4.62 117.35 112.39 1xwe s TYR 1541Ca -0.06 -0.21 0.01 0.00 -0.52 0.00 0.00 57.07 56.29 1xwe s TYR 1541Cb 0.01 -1.53 0.15 0.00 0.38 0.00 0.00 41.96 40.97 1xwe s TYR 1541CO 0.09 0.41 0.35 0.00 -1.52 0.00 0.00 175.55 174.89 1xwe s ALA 1542N -2.24 -0.71 0.25 9.51 0.00 -0.98 -1.97 121.76 125.62 1xwe s ALA 1542Ca 0.36 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.91 1xwe s ALA 1542Cb -0.07 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 1xwe s ALA 1542CO 0.25 -1.83 0.44 1.52 0.00 0.00 0.00 175.76 176.13 1xwe s TYR 1543N 2.20 0.51 -0.13 0.00 -0.85 -0.88 -0.59 117.35 117.61 1xwe s TYR 1543Ca 0.11 -0.85 -0.04 0.00 -0.52 0.00 0.00 57.07 55.77 1xwe s TYR 1543Cb -0.14 0.08 -0.03 0.00 0.38 0.00 0.00 41.96 42.25 1xwe s TYR 1543CO -0.25 -0.96 0.02 0.21 -1.52 0.00 0.00 175.55 173.04 1xwe s LYS 1544N -3.95 3.42 0.23 -3.49 2.20 -0.80 -1.82 119.74 115.52 1xwe s LYS 1544Ca 0.25 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 55.48 1xwe s LYS 1544Cb 0.00 -2.95 -0.01 0.00 -1.51 0.00 0.00 37.83 33.37 1xwe s LYS 1544CO 0.10 0.49 0.08 1.33 -0.36 0.00 0.00 175.35 177.00 1xwe n VAL 1545N 2.80 0.00 -3.70 4.02 0.24 -0.64 -1.14 118.33 119.91 1xwe n VAL 1545Ca -0.18 -1.34 -0.11 0.00 -2.04 0.00 0.00 64.34 60.67 1xwe n VAL 1545Cb 0.53 0.48 -0.12 0.00 -1.47 0.00 0.00 33.84 33.27 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 -2.41 -0.37 0.40 -1.34 0.15 -0.70 -2.18 113.70 107.25 1xwe s SER 1546Ca 0.12 0.76 -0.26 0.00 0.70 0.00 0.00 55.95 57.27 1xwe s SER 1546Cb 0.01 0.68 -0.09 0.00 -1.71 0.00 0.00 66.02 64.91 1xwe s SER 1546CO 0.08 -0.19 1.25 -0.63 1.20 0.00 0.00 173.24 174.96 1xwe s ILE 1547N 1.48 2.82 0.00 6.45 -1.09 -1.11 -1.83 121.20 127.92 1xwe s ILE 1547Ca -0.08 0.72 0.00 0.00 -2.23 0.00 0.00 60.65 59.05 1xwe s ILE 1547Cb -0.09 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 1xwe s ILE 1547CO -0.11 0.10 0.00 1.07 -1.23 0.00 0.00 174.94 174.76 1xwe n THR 1548N 0.15 0.00 -3.63 2.92 5.66 -1.09 -3.31 114.28 114.98 1xwe n THR 1548Ca 0.04 -0.01 -0.12 0.00 -3.05 0.00 0.00 64.05 60.91 1xwe n THR 1548Cb 0.44 0.15 -0.05 0.00 -1.55 0.00 0.00 70.33 69.32 1xwe n THR 1548CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1xwe s SER 1549N -0.26 -0.31 -0.07 1.09 0.15 0.24 -4.91 113.70 109.62 1xwe s SER 1549Ca 0.00 -0.06 -0.03 0.00 0.70 0.00 0.00 55.95 56.56 1xwe s SER 1549Cb 0.00 0.46 0.04 0.00 -1.71 0.00 0.00 66.02 64.81 1xwe s SER 1549CO 0.00 -0.74 0.13 -0.63 1.20 0.00 0.00 173.24 173.20 1xwe s ILE 1550N -2.91 -0.16 -0.05 6.45 1.01 -1.26 -1.34 121.20 122.93 1xwe s ILE 1550Ca -0.03 0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.94 1xwe s ILE 1550Cb 0.00 -0.24 0.02 0.00 0.01 0.00 0.00 42.46 42.25 1xwe s ILE 1550CO -0.05 0.12 -0.07 -0.89 0.00 0.00 0.00 174.94 174.05 1xwe s THR 1551N 1.83 0.75 -0.08 2.92 2.01 -0.80 -4.97 115.64 117.28 1xwe s THR 1551Ca -0.02 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 61.78 1xwe s THR 1551Cb -0.12 -0.73 -0.00 0.00 0.01 0.00 0.00 72.50 71.66 1xwe s THR 1551CO -0.05 0.27 -0.24 0.54 -0.69 0.00 0.00 174.62 174.45 1xwe s VAL 1552N 0.78 2.10 0.00 3.82 0.11 -1.26 -0.87 120.40 125.07 1xwe s VAL 1552Ca -0.13 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 57.90 1xwe s VAL 1552Cb -0.15 -1.78 0.00 0.00 -1.53 0.00 0.00 36.38 32.92 1xwe s VAL 1552CO 0.02 0.56 0.00 -0.62 -3.33 0.00 0.00 175.10 171.73 1xwe n GLU 1553N 3.29 0.00 0.00 1.54 -0.58 -1.23 -5.00 120.64 118.66 1xwe n GLU 1553Ca -0.18 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 1xwe n GLU 1553Cb 0.53 -0.06 0.00 0.00 -0.57 0.00 0.00 31.44 31.34 1xwe n GLU 1553CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xwe n ASN 1554N -0.41 0.00 -0.07 1.62 5.03 -1.26 -4.99 115.26 115.18 1xwe n ASN 1554Ca 0.00 0.00 -0.20 0.00 0.87 0.00 0.00 54.58 55.25 1xwe n ASN 1554Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 38.63 1xwe n ASN 1554CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1xwe n VAL 1555N -1.78 1.62 -3.59 2.41 0.31 -1.26 -4.90 118.33 111.15 1xwe n VAL 1555Ca 0.00 -0.57 -0.37 0.00 -0.01 0.00 0.00 64.34 63.40 1xwe n VAL 1555Cb 0.00 -1.62 -0.08 0.00 -0.91 0.00 0.00 33.84 31.23 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 -2.53 3.37 0.06 3.52 0.40 -1.26 -1.90 117.98 119.64 1xwe s PHE 1556Ca -0.29 0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 56.36 1xwe s PHE 1556Cb 0.08 -2.32 -0.05 0.00 0.51 0.00 0.00 43.02 41.24 1xwe s PHE 1556CO 0.67 0.13 0.32 0.08 0.70 0.00 0.00 175.22 177.12 1xwe s VAL 1557N 0.86 5.22 0.13 -0.44 1.01 -0.45 -3.52 120.40 123.21 1xwe s VAL 1557Ca 0.12 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.38 1xwe s VAL 1557Cb -0.13 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1xwe s VAL 1557CO 0.04 0.27 -0.21 -0.54 0.00 0.00 0.00 175.10 174.66 1xwe s LYS 1558N -2.01 1.21 -0.08 2.72 1.02 -0.05 -0.99 119.74 121.57 1xwe s LYS 1558Ca 0.32 -1.27 -0.01 0.00 0.02 0.00 0.00 55.97 55.03 1xwe s LYS 1558Cb -0.13 -1.45 0.03 0.00 -0.52 0.00 0.00 37.83 35.76 1xwe s LYS 1558CO 0.19 0.33 -0.01 0.71 -0.92 0.00 0.00 175.35 175.64 1xwe s TYR 1559N -1.43 0.81 -0.42 3.18 2.02 0.21 -1.91 117.35 119.82 1xwe s TYR 1559Ca 0.11 -0.28 -0.19 0.00 -0.37 0.00 0.00 57.07 56.33 1xwe s TYR 1559Cb -0.09 -0.88 0.02 0.00 -0.40 0.00 0.00 41.96 40.61 1xwe s TYR 1559CO 0.05 -0.37 0.54 0.21 -1.57 0.00 0.00 175.55 174.42 1xwe s LYS 1560N 1.93 3.27 0.26 -0.62 2.47 -0.45 -2.07 119.74 124.53 1xwe s LYS 1560Ca 0.05 -0.48 0.06 0.00 -1.56 0.00 0.00 55.97 54.04 1xwe s LYS 1560Cb -0.12 -3.93 -0.06 0.00 -1.46 0.00 0.00 37.83 32.26 1xwe s LYS 1560CO -0.06 -0.89 -0.05 0.00 0.16 0.00 0.00 175.35 174.52 1xwe s ALA 1561N 2.49 2.18 -0.08 3.13 0.00 -0.93 -0.59 121.76 127.95 1xwe s ALA 1561Ca 0.18 -1.85 0.05 0.00 0.00 0.00 0.00 51.96 50.34 1xwe s ALA 1561Cb -0.15 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 1xwe s ALA 1561CO 0.16 -0.11 -0.22 0.99 0.00 0.00 0.00 175.76 176.57 1xwe s THR 1562N -3.12 2.27 0.57 0.00 2.01 -0.76 -2.44 115.64 114.16 1xwe s THR 1562Ca 0.29 -0.97 -0.20 0.00 0.31 0.00 0.00 61.69 61.11 1xwe s THR 1562Cb 0.04 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 1xwe s THR 1562CO 0.11 0.56 1.26 -0.22 -0.69 0.00 0.00 174.62 175.64 1xwe s LEU 1563N -0.01 3.75 -0.13 4.42 0.20 -0.93 -1.73 118.68 124.25 1xwe s LEU 1563Ca -0.07 2.53 -0.09 0.00 0.69 0.00 0.00 54.13 57.18 1xwe s LEU 1563Cb -0.15 -4.46 -0.06 0.00 -0.43 0.00 0.00 46.19 41.09 1xwe s LEU 1563CO 0.05 -1.57 -0.21 0.18 -0.29 0.00 0.00 176.35 174.51 1xwe n LEU 1564N -1.34 1.31 -3.67 -0.68 4.77 -0.29 -3.47 117.00 113.64 1xwe n LEU 1564Ca 0.12 0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 56.18 1xwe n LEU 1564Cb 0.48 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 1xwe n LEU 1564CO 0.48 0.04 0.29 -1.81 -1.33 0.00 0.00 177.39 175.06 1xwe s ASP 1565N -6.28 -0.61 -0.22 -1.43 1.01 -0.93 -3.97 116.67 104.23 1xwe s ASP 1565Ca -0.21 1.16 -0.11 0.00 0.71 0.00 0.00 52.55 54.10 1xwe s ASP 1565Cb 0.06 1.17 -0.05 0.00 1.01 0.00 0.00 42.92 45.12 1xwe s ASP 1565CO 0.27 -0.23 0.20 -0.63 0.21 0.00 0.00 175.17 175.00 1xwe s ILE 1566N 0.23 5.34 -0.03 0.77 1.01 -1.26 -1.91 121.20 125.34 1xwe s ILE 1566Ca -0.01 0.29 0.19 0.00 0.00 0.00 0.00 60.65 61.12 1xwe s ILE 1566Cb -0.04 -3.54 -0.29 0.00 0.01 0.00 0.00 42.46 38.60 1xwe s ILE 1566CO 0.01 0.35 0.40 -1.22 0.00 0.00 0.00 174.94 174.49 1xwe n TYR 1567N 4.12 0.00 -3.67 3.97 4.01 -0.64 -4.93 117.16 120.02 1xwe n TYR 1567Ca -0.14 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.51 1xwe n TYR 1567Cb 0.52 -0.46 -0.10 0.00 -0.31 0.00 0.00 39.34 38.98 1xwe n TYR 1567CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1xwe s LYS 1568N -3.28 0.35 0.95 -0.72 2.20 0.24 -4.72 119.74 114.76 1xwe s LYS 1568Ca -0.07 0.92 -0.14 0.00 -0.36 0.00 0.00 55.97 56.32 1xwe s LYS 1568Cb 0.12 0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.57 1xwe s LYS 1568CO 0.80 -0.21 0.02 2.41 -0.36 0.00 0.00 175.35 178.01 1xwe n THR 1569N 4.88 0.10 0.89 3.43 -1.04 -1.26 -2.33 114.28 118.95 1xwe n THR 1569Ca -0.15 -0.30 0.11 0.00 -2.04 0.00 0.00 64.05 61.66 1xwe n THR 1569Cb 0.52 -0.42 0.09 0.00 -1.82 0.00 0.00 70.33 68.69 1xwe n THR 1569CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xwe n GLY 1570N 2.15 0.69 4.60 3.41 0.00 -1.26 -3.72 105.19 111.05 1xwe n GLY 1570Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1xwe n GLY 1570CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xwe n GLU 1571N 1.15 0.00 -1.19 1.61 1.02 -1.26 -4.62 120.64 117.35 1xwe n GLU 1571Ca 0.12 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.06 1xwe n GLU 1571Cb 0.53 -0.08 -0.04 0.00 -0.02 0.00 0.00 31.44 31.83 1xwe n GLU 1571CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xwe n ALA 1572N 0.00 5.91 -2.55 0.62 0.00 -1.26 -4.81 120.51 118.42 1xwe n ALA 1572Ca 0.00 -2.29 -0.01 0.00 0.00 0.00 0.00 53.44 51.14 1xwe n ALA 1572Cb 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1xwe n ALA 1572CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xwe n VAL 1573N 0.97-10.39 -3.64 0.00 0.31 -1.26 -4.98 118.33 99.34 1xwe n VAL 1573Ca 0.40 1.43 -0.36 0.00 -0.01 0.00 0.00 64.34 65.80 1xwe n VAL 1573Cb 0.61 -6.55 -0.08 0.00 -0.91 0.00 0.00 33.84 26.91 1xwe n VAL 1573CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xwe s ALA 1574N -1.55 3.64 0.02 3.52 0.00 -1.26 -4.91 121.76 121.21 1xwe s ALA 1574Ca 0.04 -0.62 0.06 0.00 0.00 0.00 0.00 51.96 51.44 1xwe s ALA 1574Cb -0.01 -2.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.80 1xwe s ALA 1574CO 0.66 0.08 -0.19 -1.21 0.00 0.00 0.00 175.76 175.10 1xwe s GLU 1575N 0.52 1.39 0.37 0.00 0.41 -1.26 -4.85 118.70 115.28 1xwe s GLU 1575Ca 0.11 -0.80 -0.28 0.00 -0.41 0.00 0.00 54.97 53.60 1xwe s GLU 1575Cb -0.12 -1.42 -0.11 0.00 -1.78 0.00 0.00 34.13 30.69 1xwe s GLU 1575CO 0.01 0.37 1.48 1.17 -0.49 0.00 0.00 175.26 177.81 1xwe n LYS 1576N 2.20 2.65 -2.95 1.61 4.81 -1.26 -1.82 118.16 123.40 1xwe n LYS 1576Ca -0.16 0.93 -0.16 0.00 -0.87 0.00 0.00 58.31 58.04 1xwe n LYS 1576Cb 0.54 -2.65 -0.01 0.00 0.02 0.00 0.00 35.03 32.92 1xwe n LYS 1576CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1xwe n ASP 1577N 0.58 -3.26 -2.96 3.14 5.68 -1.23 -4.93 116.55 113.59 1xwe n ASP 1577Ca 0.02 -0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 1xwe n ASP 1577Cb 0.39 -2.76 0.00 0.00 -1.14 0.00 0.00 41.12 37.61 1xwe n ASP 1577CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1xwe n SER 1578N -2.00 -0.67 -4.34 -1.12 3.41 -0.75 -4.45 113.62 103.70 1xwe n SER 1578Ca -0.05 -0.26 -0.34 0.00 -0.26 0.00 0.00 58.87 57.95 1xwe n SER 1578Cb 0.56 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.80 3.41 0.02 4.33 2.56 -1.26 -2.20 118.70 123.75 1xwe s GLU 1579Ca 0.00 -0.63 0.08 0.00 0.00 0.00 0.00 54.97 54.42 1xwe s GLU 1579Cb 0.00 -2.92 -0.02 0.00 2.00 0.00 0.00 34.13 33.18 1xwe s GLU 1579CO 0.00 -0.07 -0.23 0.96 -0.56 0.00 0.00 175.26 175.35 1xwe s ILE 1580N 1.15 1.86 -0.19 -3.70 -4.36 -1.02 -4.97 121.20 109.96 1xwe s ILE 1580Ca 0.02 -1.16 -0.03 0.00 -0.26 0.00 0.00 60.65 59.21 1xwe s ILE 1580Cb -0.14 -1.58 0.06 0.00 1.25 0.00 0.00 42.46 42.05 1xwe s ILE 1580CO -0.01 0.38 0.05 -0.89 0.24 0.00 0.00 174.94 174.70 1xwe s THR 1581N -0.69 0.40 -0.21 8.37 2.01 -1.26 -2.20 115.64 122.05 1xwe s THR 1581Ca 0.09 -0.47 -0.09 0.00 0.31 0.00 0.00 61.69 61.53 1xwe s THR 1581Cb -0.09 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 1xwe s THR 1581CO 0.01 -0.22 0.12 -0.36 -0.69 0.00 0.00 174.62 173.48 1xwe s PHE 1582N 1.92 3.32 0.17 4.92 0.40 -0.88 -1.20 117.98 126.62 1xwe s PHE 1582Ca -0.00 0.18 0.11 0.00 -0.60 0.00 0.00 56.93 56.62 1xwe s PHE 1582Cb -0.17 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1xwe s PHE 1582CO -0.08 0.13 -0.22 0.96 0.70 0.00 0.00 175.22 176.71 1xwe s ILE 1583N 0.71 2.52 0.32 0.64 -4.36 -0.87 -0.62 121.20 119.55 1xwe s ILE 1583Ca 0.06 -1.86 -0.04 0.00 -0.26 0.00 0.00 60.65 58.55 1xwe s ILE 1583Cb -0.13 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.39 1xwe s ILE 1583CO 0.01 -0.05 0.46 -1.59 0.24 0.00 0.00 174.94 174.02 1xwe s LYS 1584N -2.51 1.83 0.00 0.37 -2.85 -0.16 -2.61 119.74 113.80 1xwe s LYS 1584Ca 0.20 -1.67 0.00 0.00 -1.00 0.00 0.00 55.97 53.49 1xwe s LYS 1584Cb -0.09 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 1xwe s LYS 1584CO 0.10 -0.76 0.00 1.63 0.10 0.00 0.00 175.35 176.42 1xwe n LYS 1585N -0.52 0.72 -0.00 1.78 4.01 -1.26 -1.34 118.16 121.54 1xwe n LYS 1585Ca 0.00 0.00 0.07 0.00 -0.51 0.00 0.00 58.31 57.88 1xwe n LYS 1585Cb 0.62 0.00 -0.13 0.00 -0.51 0.00 0.00 35.03 35.00 1xwe n LYS 1585CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 1xwe n VAL 1586N -1.28 0.39 0.34 -0.18 3.14 -0.80 -4.15 118.33 115.80 1xwe n VAL 1586Ca 0.00 -0.57 0.14 0.00 -2.96 0.00 0.00 64.34 60.94 1xwe n VAL 1586Cb 0.00 -0.18 0.59 0.00 -1.06 0.00 0.00 33.84 33.19 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 0.00 0.00 1.55 1.35 -1.87 -3.34 112.91 110.60 1xwe h THR 1587Ca -0.09 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1xwe h THR 1587Cb 1.22 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1xwe h THR 1587CO 0.01 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.28 1xwe n THR 1589N -0.26 0.00 0.00 0.00 -1.04 -1.25 -4.57 114.28 107.15 1xwe n THR 1589Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1xwe n THR 1589Cb 0.00 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 1xwe n THR 1589CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1xwe n ASN 1590N -0.76 3.88 -4.26 8.00 3.02 -1.26 -4.95 115.26 118.92 1xwe n ASN 1590Ca -0.09 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.03 1xwe n ASN 1590Cb 0.51 0.41 -0.06 0.00 -0.61 0.00 0.00 39.78 40.03 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xwe s ALA 1591N -1.77 3.59 -0.08 5.41 0.00 -1.26 -4.32 121.76 123.33 1xwe s ALA 1591Ca 0.00 -2.65 -0.01 0.00 0.00 0.00 0.00 51.96 49.30 1xwe s ALA 1591Cb 0.00 -3.10 0.03 0.00 0.00 0.00 0.00 23.12 20.05 1xwe s ALA 1591CO 0.00 -2.00 0.01 -1.21 0.00 0.00 0.00 175.76 172.55 1xwe s GLU 1592N 1.30 0.57 -0.28 0.00 2.02 -1.26 -5.02 118.70 116.02 1xwe s GLU 1592Ca 0.06 0.09 -0.13 0.00 0.02 0.00 0.00 54.97 55.02 1xwe s GLU 1592Cb -0.26 -1.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.91 1xwe s GLU 1592CO 0.00 -0.32 0.28 -0.51 0.02 0.00 0.00 175.26 174.73 1xwe s LEU 1593N 1.98 4.09 0.45 1.80 1.02 -1.26 -5.06 118.68 121.70 1xwe s LEU 1593Ca 0.05 0.07 -0.24 0.00 0.02 0.00 0.00 54.13 54.03 1xwe s LEU 1593Cb -0.12 -2.26 -0.07 0.00 0.02 0.00 0.00 46.19 43.75 1xwe s LEU 1593CO -0.05 -0.14 1.27 0.54 0.02 0.00 0.00 176.35 177.99 1xwe s VAL 1594N 1.91 2.66 -0.38 -1.59 0.11 -1.26 -4.96 120.40 116.88 1xwe s VAL 1594Ca 0.11 0.54 -0.27 0.00 -2.93 0.00 0.00 61.98 59.42 1xwe s VAL 1594Cb -0.16 -3.29 0.02 0.00 -1.53 0.00 0.00 36.38 31.41 1xwe s VAL 1594CO 0.11 0.03 1.01 -0.75 -3.33 0.00 0.00 175.10 172.17 1xwe s LYS 1595N -2.53 3.86 0.00 1.54 2.20 -1.26 -3.62 119.74 119.93 1xwe s LYS 1595Ca 0.62 0.69 0.00 0.00 -0.36 0.00 0.00 55.97 56.92 1xwe s LYS 1595Cb -0.35 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.15 1xwe s LYS 1595CO 0.44 -1.04 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 1xwe n GLY 1596N 4.37 1.11 3.97 5.54 0.00 -1.21 -4.99 105.19 113.98 1xwe n GLY 1596Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 2.10 0.06 1.61 3.00 -1.24 -4.91 118.95 119.58 1xwe s ARG 1597Ca 0.00 -0.74 0.08 0.00 0.00 0.00 0.00 55.73 55.07 1xwe s ARG 1597Cb 0.00 -2.33 -0.03 0.00 0.00 0.00 0.00 34.95 32.58 1xwe s ARG 1597CO 0.00 -1.15 -0.18 -0.65 0.00 0.00 0.00 175.30 173.33 1xwe s GLN 1598N -5.05 1.99 0.05 3.54 -0.21 -1.26 -2.73 119.66 116.00 1xwe s GLN 1598Ca 0.62 -1.04 -0.02 0.00 0.02 0.00 0.00 55.36 54.94 1xwe s GLN 1598Cb -0.09 -2.17 -0.03 0.00 1.00 0.00 0.00 33.01 31.72 1xwe s GLN 1598CO 0.42 0.52 0.01 0.71 -2.12 0.00 0.00 175.29 174.83 1xwe s TYR 1599N -1.00 0.43 -0.22 0.91 2.02 -0.92 -1.87 117.35 116.70 1xwe s TYR 1599Ca 0.16 -0.92 -0.07 0.00 -0.37 0.00 0.00 57.07 55.87 1xwe s TYR 1599Cb -0.11 -0.31 -0.03 0.00 -0.40 0.00 0.00 41.96 41.11 1xwe s TYR 1599CO 0.07 -0.38 0.05 -1.17 -1.57 0.00 0.00 175.55 172.54 1xwe s LEU 1600N -2.74 3.47 -0.09 -1.29 2.96 -0.54 -1.63 118.68 118.83 1xwe s LEU 1600Ca 0.04 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1xwe s LEU 1600Cb 0.05 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 1xwe s LEU 1600CO -0.09 0.05 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.22 1xwe s ILE 1601N 1.12 3.00 -0.20 6.68 1.01 -0.76 -1.94 121.20 130.12 1xwe s ILE 1601Ca 0.04 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 1xwe s ILE 1601Cb -0.14 -2.22 0.10 0.00 0.01 0.00 0.00 42.46 40.21 1xwe s ILE 1601CO 0.03 0.55 0.28 -0.04 0.00 0.00 0.00 174.94 175.76 1xwe s MET 1602N -0.10 0.22 0.00 2.79 -1.94 -0.73 -2.06 119.30 117.48 1xwe s MET 1602Ca -0.02 0.44 0.00 0.00 -1.71 0.00 0.00 55.69 54.40 1xwe s MET 1602Cb -0.14 -0.70 0.00 0.00 2.01 0.00 0.00 34.83 36.00 1xwe s MET 1602CO 0.04 -0.55 0.00 0.41 -0.01 0.00 0.00 175.02 174.90 1xwe n GLY 1603N 5.34 -1.01 3.44 -0.03 0.00 -0.83 -2.32 105.19 109.77 1xwe n GLY 1603Ca -0.05 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 1xwe n GLY 1603CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xwe n LYS 1604N 0.00 0.39 -0.49 1.61 4.76 -1.20 -0.49 118.16 122.75 1xwe n LYS 1604Ca 0.00 0.16 -0.11 0.00 -2.87 0.00 0.00 58.31 55.49 1xwe n LYS 1604Cb 0.00 -1.66 0.08 0.00 -1.84 0.00 0.00 35.03 31.62 1xwe n LYS 1604CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1xwe n GLU 1605N -0.04 -1.31 -3.07 1.97 0.00 -1.26 -4.65 120.64 112.28 1xwe n GLU 1605Ca 0.10 -0.67 -0.34 0.00 0.00 0.00 0.00 57.16 56.26 1xwe n GLU 1605Cb 0.48 -0.55 -0.06 0.00 0.00 0.00 0.00 31.44 31.31 1xwe n GLU 1605CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xwe s ALA 1606N -3.35 3.30 -0.33 -1.84 0.00 -1.26 -4.73 121.76 113.55 1xwe s ALA 1606Ca 0.26 0.15 -0.21 0.00 0.00 0.00 0.00 51.96 52.15 1xwe s ALA 1606Cb -0.02 -2.85 -0.00 0.00 0.00 0.00 0.00 23.12 20.25 1xwe s ALA 1606CO 0.19 0.30 0.69 -0.51 0.00 0.00 0.00 175.76 176.43 1xwe s LEU 1607N -2.68 4.17 -0.07 0.00 1.02 -0.32 -4.84 118.68 115.95 1xwe s LEU 1607Ca 0.52 0.37 -0.30 0.00 0.02 0.00 0.00 54.13 54.74 1xwe s LEU 1607Cb -0.12 -2.89 -0.04 0.00 0.02 0.00 0.00 46.19 43.16 1xwe s LEU 1607CO 0.18 -0.59 1.36 -1.10 0.02 0.00 0.00 176.35 176.23 1xwe s GLN 1608N 2.79 4.26 0.00 1.70 -0.21 -1.26 -3.39 119.66 123.55 1xwe s GLN 1608Ca 0.27 1.85 0.00 0.00 0.02 0.00 0.00 55.36 57.51 1xwe s GLN 1608Cb -0.14 -3.70 0.00 0.00 1.00 0.00 0.00 33.01 30.17 1xwe s GLN 1608CO 0.14 -0.64 0.19 0.44 -2.12 0.00 0.00 175.29 173.29 1xwe n ILE 1609N 5.01 0.00 -1.43 1.08 -5.35 -1.17 -5.01 119.36 112.50 1xwe n ILE 1609Ca 0.14 0.00 -0.51 0.00 -0.27 0.00 0.00 62.75 62.11 1xwe n ILE 1609Cb 0.44 1.51 -0.08 0.00 -1.74 0.00 0.00 39.64 39.77 1xwe n ILE 1609CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1xwe n LYS 1610N 0.00 0.92 -0.04 6.28 4.81 -1.26 -4.29 118.16 124.59 1xwe n LYS 1610Ca 0.00 0.24 -0.06 0.00 -0.87 0.00 0.00 58.31 57.62 1xwe n LYS 1610Cb 0.35 -2.36 -0.02 0.00 0.02 0.00 0.00 35.03 33.02 1xwe n LYS 1610CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1xwe n TYR 1611N 9.84 0.00 -2.78 5.64 9.36 -1.26 -4.86 117.16 133.10 1xwe n TYR 1611Ca 0.43 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.61 1xwe n TYR 1611Cb 0.20 -0.31 0.01 0.00 -0.63 0.00 0.00 39.34 38.62 1xwe n TYR 1611CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1xwe s ASN 1612N -5.70 -1.40 -1.44 2.98 2.47 -1.26 -4.93 114.94 105.66 1xwe s ASN 1612Ca -0.18 -1.74 0.00 0.00 0.42 0.00 0.00 52.86 51.36 1xwe s ASN 1612Cb 0.02 1.86 0.00 0.00 -1.45 0.00 0.00 41.25 41.69 1xwe s ASN 1612CO 0.26 -0.06 0.00 0.00 -3.72 0.00 0.00 177.10 173.59 1xwe n ALA 1613N 2.97 -0.21 -0.00 1.71 0.00 -1.26 -4.70 120.51 119.02 1xwe n ALA 1613Ca 0.18 0.22 0.02 0.00 0.00 0.00 0.00 53.44 53.86 1xwe n ALA 1613Cb 0.56 -1.55 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 1xwe n ALA 1613CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xwe n SER 1614N -0.68 4.15 -1.85 0.00 2.88 -1.26 -5.08 113.62 111.78 1xwe n SER 1614Ca -0.14 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.33 1xwe n SER 1614Cb 0.50 1.13 -0.03 0.00 -0.75 0.00 0.00 64.21 65.06 1xwe n SER 1614CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1xwe n PHE 1615N -1.66 -0.34 -3.43 0.66 3.72 -1.26 -4.96 117.46 110.18 1xwe n PHE 1615Ca -0.01 -1.07 0.00 0.00 -0.05 0.00 0.00 57.45 56.32 1xwe n PHE 1615Cb 0.13 0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 1xwe n PHE 1615CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1xwe n ARG 1616N -0.24 -0.70 -2.35 -1.08 1.85 -1.26 -4.22 116.66 108.65 1xwe n ARG 1616Ca 0.03 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.53 1xwe n ARG 1616Cb 0.23 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.60 1xwe n ARG 1616CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1xwe s TYR 1617N -3.00 2.24 0.08 2.89 1.51 -1.26 -3.05 117.35 116.75 1xwe s TYR 1617Ca 0.00 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 55.84 1xwe s TYR 1617Cb 0.00 -4.43 -0.04 0.00 -0.11 0.00 0.00 41.96 37.38 1xwe s TYR 1617CO 0.00 -1.85 0.09 0.96 -1.11 0.00 0.00 175.55 173.64 1xwe s ILE 1618N 7.09 4.58 -0.19 2.71 -4.36 -1.22 -4.79 121.20 125.02 1xwe s ILE 1618Ca 0.56 -0.74 -0.09 0.00 -0.26 0.00 0.00 60.65 60.12 1xwe s ILE 1618Cb -0.03 -3.21 -0.05 0.00 1.25 0.00 0.00 42.46 40.43 1xwe s ILE 1618CO -0.06 0.13 0.11 -0.31 0.24 0.00 0.00 174.94 175.06 1xwe s TYR 1619N -1.39 3.37 0.00 1.37 1.51 -0.34 -1.17 117.35 120.70 1xwe s TYR 1619Ca 0.29 0.27 0.00 0.00 -1.01 0.00 0.00 57.07 56.62 1xwe s TYR 1619Cb -0.12 -2.14 0.00 0.00 -0.11 0.00 0.00 41.96 39.59 1xwe s TYR 1619CO 0.22 0.26 0.00 -0.35 -1.11 0.00 0.00 175.55 174.57 1xwe n PRO 1620N 3.50 0.11 -3.15 -1.71 -0.04 -1.26 -2.05 135.00 130.40 1xwe n PRO 1620Ca -0.16 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.34 1xwe n PRO 1620Cb 0.52 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1xwe n PRO 1620CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1xwe s LEU 1621N 0.00 -1.31 0.00 1.53 2.96 -1.07 -4.38 118.68 116.41 1xwe s LEU 1621Ca 0.00 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 1xwe s LEU 1621Cb 0.00 1.89 0.00 0.00 0.50 0.00 0.00 46.19 48.58 1xwe s LEU 1621CO 0.00 -0.24 0.00 0.47 -1.32 0.00 0.00 176.35 175.26 1xwe n ASP 1622N 5.37 0.62 -0.07 3.68 9.92 -1.10 -4.74 116.55 130.23 1xwe n ASP 1622Ca 0.04 -0.45 0.00 0.00 -0.53 0.00 0.00 54.79 53.86 1xwe n ASP 1622Cb 0.54 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.03 1xwe n ASP 1622CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1xwe n SER 1623N -1.06 0.17 -0.39 -2.24 3.41 -1.26 -2.25 113.62 109.99 1xwe n SER 1623Ca 0.00 -2.00 0.06 0.00 -0.26 0.00 0.00 58.87 56.67 1xwe n SER 1623Cb 0.00 -0.05 0.02 0.00 -0.26 0.00 0.00 64.21 63.92 1xwe n SER 1623CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xwe n LEU 1624N -0.42 1.70 -4.71 1.04 -0.00 -1.26 -4.84 117.00 108.51 1xwe n LEU 1624Ca 0.01 -0.87 -0.40 0.00 -0.00 0.00 0.00 56.01 54.75 1xwe n LEU 1624Cb 0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.41 1xwe n LEU 1624CO 0.00 0.32 0.45 -0.89 -0.00 0.00 0.00 177.39 177.27 1xwe s THR 1625N -1.39 5.01 -0.39 1.47 2.01 -1.15 -4.76 115.64 116.45 1xwe s THR 1625Ca 0.13 1.52 -0.18 0.00 0.31 0.00 0.00 61.69 63.48 1xwe s THR 1625Cb 0.11 -4.08 0.01 0.00 0.01 0.00 0.00 72.50 68.55 1xwe s THR 1625CO 0.25 0.22 0.47 0.86 -0.69 0.00 0.00 174.62 175.73 1xwe s TRP 1626N 0.97 3.16 -0.10 4.92 -0.11 -0.98 -4.87 118.94 121.93 1xwe s TRP 1626Ca 0.39 -0.12 0.02 0.00 1.22 0.00 0.00 56.10 57.61 1xwe s TRP 1626Cb -0.18 -2.93 0.01 0.00 -1.50 0.00 0.00 33.47 28.87 1xwe s TRP 1626CO 0.19 -0.64 -0.18 0.42 -4.62 0.00 0.00 176.95 172.12 1xwe s ILE 1627N 2.28 1.65 -0.12 5.86 1.01 -1.25 -1.77 121.20 128.86 1xwe s ILE 1627Ca 0.15 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1xwe s ILE 1627Cb -0.16 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.86 1xwe s ILE 1627CO 0.14 0.47 -0.10 -0.70 0.00 0.00 0.00 174.94 174.75 1xwe s GLU 1628N 0.75 1.79 -0.11 2.79 -6.30 -0.82 -3.78 118.70 113.01 1xwe s GLU 1628Ca -0.11 -0.36 -0.29 0.00 -2.50 0.00 0.00 54.97 51.71 1xwe s GLU 1628Cb -0.16 -1.74 -0.06 0.00 0.00 0.00 0.00 34.13 32.17 1xwe s GLU 1628CO 0.02 -0.24 2.04 -0.47 0.02 0.00 0.00 175.26 176.63 1xwe s TYR 1629N 1.56 1.33 -0.55 5.30 5.04 -1.26 -1.47 117.35 127.31 1xwe s TYR 1629Ca 0.04 0.12 -0.10 0.00 -2.44 0.00 0.00 57.07 54.68 1xwe s TYR 1629Cb -0.13 -4.07 0.14 0.00 0.35 0.00 0.00 41.96 38.25 1xwe s TYR 1629CO -0.08 -4.58 0.43 -0.46 -1.34 0.00 0.00 175.55 169.52 1xwe s TRP 1630N 6.31 3.45 -0.73 4.97 -0.11 -0.78 -4.88 118.94 127.16 1xwe s TRP 1630Ca 0.92 -1.93 -0.34 0.00 1.22 0.00 0.00 56.10 55.97 1xwe s TRP 1630Cb -0.36 -3.54 -0.18 0.00 -1.50 0.00 0.00 33.47 27.89 1xwe s TRP 1630CO 0.37 -0.98 2.47 -2.30 -4.62 0.00 0.00 176.95 171.89 1xwe n PRO 1631N 4.64 0.30 0.24 5.86 -0.02 -1.26 -4.11 135.00 140.66 1xwe n PRO 1631Ca -0.04 0.04 0.17 0.00 -2.02 0.00 0.00 63.50 61.66 1xwe n PRO 1631Cb 0.41 -1.92 0.88 0.00 -0.02 0.00 0.00 33.50 32.86 1xwe n PRO 1631CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1xwe h ARG 1632N 12.54 0.00 -5.40 -0.52 0.11 -1.95 -3.39 114.38 115.77 1xwe h ARG 1632Ca -0.12 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.36 1xwe h ARG 1632Cb 1.33 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 32.29 1xwe h ARG 1632CO 1.24 0.00 -0.28 -0.51 0.10 0.00 0.00 179.97 180.52 1xwe s ASP 1633N -5.63 6.39 -0.25 0.08 1.01 -1.26 -4.96 116.67 112.05 1xwe s ASP 1633Ca -0.05 0.46 0.13 0.00 0.71 0.00 0.00 52.55 53.80 1xwe s ASP 1633Cb 0.14 -2.20 0.63 0.00 1.01 0.00 0.00 42.92 42.51 1xwe s ASP 1633CO 0.51 -0.00 1.59 0.35 0.21 0.00 0.00 175.17 177.83 1xwe n THR 1634N 4.09 2.59 -3.01 -1.27 -2.24 -1.26 -4.75 114.28 108.42 1xwe n THR 1634Ca -0.10 -1.88 -0.04 0.00 -2.27 0.00 0.00 64.05 59.76 1xwe n THR 1634Cb 0.51 -0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 68.43 1xwe n THR 1634CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xwe s THR 1635N -2.94 -0.89 0.00 4.28 -1.32 -1.26 -4.73 115.64 108.79 1xwe s THR 1635Ca 0.48 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 60.28 1xwe s THR 1635Cb 0.39 -0.11 0.00 0.00 -1.51 0.00 0.00 72.50 71.27 1xwe s THR 1635CO 0.10 -0.10 0.00 0.00 -2.21 0.00 0.00 174.62 172.41 1xwe s SER 1637N -0.44 -0.66 -1.88 0.00 0.15 -1.26 -4.93 113.70 104.68 1xwe s SER 1637Ca 0.00 0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.95 1xwe s SER 1637Cb 0.00 1.51 0.00 0.00 -1.71 0.00 0.00 66.02 65.82 1xwe s SER 1637CO 0.00 -0.12 0.00 -1.20 1.20 0.00 0.00 173.24 173.12 1xwe n SER 1638N 5.38 -4.79 0.05 5.45 7.64 -1.26 -4.82 113.62 121.28 1xwe n SER 1638Ca -0.02 0.44 -0.18 0.00 1.01 0.00 0.00 58.87 60.12 1xwe n SER 1638Cb 0.54 -4.25 -0.14 0.00 -1.01 0.00 0.00 64.21 59.35 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xwe h GLN 1640N 0.07 0.00 -0.41 0.00 4.15 -1.87 -2.84 115.11 114.22 1xwe h GLN 1640Ca -0.30 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.24 1xwe h GLN 1640Cb 2.04 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.71 1xwe h GLN 1640CO 0.15 0.23 0.30 0.00 -1.93 0.00 0.00 178.83 177.58 1xwe h ALA 1641N 1.77 2.36 0.03 3.38 0.00 -1.96 -1.65 119.26 123.18 1xwe h ALA 1641Ca -0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.55 1xwe h ALA 1641Cb 0.63 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1xwe h ALA 1641CO 0.03 -0.51 -2.07 0.34 0.00 0.00 0.00 179.25 177.04 1xwe n PHE 1642N -4.36 0.64 0.27 0.00 7.35 -1.08 -4.06 117.46 116.22 1xwe n PHE 1642Ca 0.07 0.19 0.08 0.00 -0.76 0.00 0.00 57.45 57.03 1xwe n PHE 1642Cb 0.50 -1.10 0.36 0.00 0.35 0.00 0.00 39.48 39.58 1xwe n PHE 1642CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1xwe n LEU 1643N -3.09 0.33 0.06 -2.13 4.77 -0.70 -2.01 117.00 114.23 1xwe n LEU 1643Ca -0.29 0.61 -0.02 0.00 -0.03 0.00 0.00 56.01 56.29 1xwe n LEU 1643Cb 1.07 -0.60 0.24 0.00 -2.33 0.00 0.00 43.42 41.80 1xwe n LEU 1643CO 0.41 -0.57 0.72 0.00 -1.33 0.00 0.00 177.39 176.63 1xwe h ALA 1644N 2.19 1.17 0.00 -1.18 0.00 -1.50 -2.71 119.26 117.24 1xwe h ALA 1644Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 1xwe h ALA 1644Cb 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1xwe h ALA 1644CO 0.00 0.54 -0.73 -0.91 0.00 0.00 0.00 179.25 178.15 1xwe h ASN 1645N 0.30 0.00 0.52 0.00 2.35 -1.66 -3.10 115.58 114.00 1xwe h ASN 1645Ca 0.04 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 1xwe h ASN 1645Cb 0.68 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1xwe h ASN 1645CO 0.05 0.73 -0.37 -0.07 -1.65 0.00 0.00 177.43 176.11 1xwe h LEU 1646N 0.00 0.00 -0.43 1.61 -0.00 -1.58 -3.02 115.31 111.90 1xwe h LEU 1646Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 1xwe h LEU 1646Cb 1.32 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.96 1xwe h LEU 1646CO 0.09 0.37 0.09 -0.78 -0.00 0.00 0.00 178.44 178.22 1xwe h ASP 1647N 0.00 0.67 0.30 -0.43 1.82 -1.43 0.40 116.42 117.75 1xwe h ASP 1647Ca -0.00 -0.24 -0.02 0.00 -0.39 0.00 0.00 57.03 56.37 1xwe h ASP 1647Cb 0.73 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.57 1xwe h ASP 1647CO 0.05 0.74 -0.11 -0.08 -1.61 0.00 0.00 179.24 178.23 1xwe h GLU 1648N 0.57 0.00 0.00 0.28 4.81 -1.61 -2.25 114.58 116.38 1xwe h GLU 1648Ca 0.13 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.10 1xwe h GLU 1648Cb 0.34 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 1xwe h GLU 1648CO 0.00 0.11 -1.50 0.35 -0.73 0.00 0.00 179.01 177.24 1xwe h PHE 1649N 0.00 0.00 0.00 0.92 3.57 -1.40 -2.69 116.94 117.34 1xwe h PHE 1649Ca -0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1xwe h PHE 1649Cb 0.29 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1xwe h PHE 1649CO 0.00 1.00 -0.15 0.00 -2.23 0.00 0.00 178.31 176.92 1xwe h ALA 1650N 1.00 1.06 0.01 2.41 0.00 -0.34 -3.15 119.26 120.26 1xwe h ALA 1650Ca -0.21 -0.14 -0.37 0.00 0.00 0.00 0.00 54.91 54.20 1xwe h ALA 1650Cb 1.94 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.64 1xwe h ALA 1650CO 0.09 0.19 -2.32 -0.85 0.00 0.00 0.00 179.25 176.37 1xwe n GLU 1651N -3.36 0.68 0.00 0.00 0.28 -1.04 -4.03 120.64 113.16 1xwe n GLU 1651Ca -0.00 0.10 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1xwe n GLU 1651Cb 0.36 -1.57 0.00 0.00 1.43 0.00 0.00 31.44 31.66 1xwe n GLU 1651CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1xwe n ASP 1652N -3.03 0.00 0.16 -1.84 -0.08 -1.01 0.73 116.55 111.47 1xwe n ASP 1652Ca -0.36 0.68 0.18 0.00 -1.51 0.00 0.00 54.79 53.78 1xwe n ASP 1652Cb 1.08 -0.18 0.79 0.00 2.34 0.00 0.00 41.12 45.15 1xwe n ASP 1652CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1xwe h ILE 1653N 0.00 0.48 0.01 5.18 6.09 -1.83 0.12 117.51 127.57 1xwe h ILE 1653Ca 0.00 0.00 -0.20 0.00 -1.37 0.00 0.00 64.86 63.29 1xwe h ILE 1653Cb 0.00 0.78 -0.01 0.00 0.47 0.00 0.00 36.82 38.06 1xwe h ILE 1653CO 0.00 0.00 -0.89 0.15 -3.07 0.00 0.00 178.15 174.34 1xwe h PHE 1654N 0.00 0.24 0.00 2.19 3.04 -1.64 -3.29 116.94 117.48 1xwe h PHE 1654Ca 0.13 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1xwe h PHE 1654Cb 0.68 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.16 1xwe h PHE 1654CO 0.00 0.97 0.00 1.28 -2.02 0.00 0.00 178.31 178.54 1xwe n LEU 1655N -3.62 0.06 0.01 0.59 4.77 0.22 -4.86 117.00 114.18 1xwe n LEU 1655Ca -0.03 0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.88 1xwe n LEU 1655Cb 0.82 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1xwe n LEU 1655CO 0.48 -0.28 0.27 -0.55 -1.33 0.00 0.00 177.39 175.98 1xwe h ASN 1656N 0.00 -0.12 0.00 -1.43 7.08 -1.03 -3.50 115.58 116.58 1xwe h ASN 1656Ca 0.00 -0.36 0.00 0.00 -3.08 0.00 0.00 56.30 52.86 1xwe h ASN 1656Cb 0.00 0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.27 1xwe h ASN 1656CO 0.00 0.50 0.00 0.61 -2.08 0.00 0.00 177.43 176.46 1xwe n GLY 1657N 1.10 0.74 0.87 9.14 0.00 -0.25 -4.95 105.19 111.84 1xwe n GLY 1657Ca -0.06 -0.84 0.11 0.00 0.00 0.00 0.00 46.02 45.23 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32