#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 1.88 -4.88 1.61 7.64 -1.26 -4.98 113.62 113.62 1xwe n SER 1509Ca 0.00 0.48 -0.30 0.00 1.01 0.00 0.00 58.87 60.06 1xwe n SER 1509Cb 0.00 -0.81 -0.01 0.00 -1.01 0.00 0.00 64.21 62.37 1xwe n SER 1509CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1xwe s HIS 1510N -2.56 3.53 -0.01 1.43 4.02 -1.26 -5.07 115.29 115.37 1xwe s HIS 1510Ca -0.23 1.06 -0.15 0.00 1.02 0.00 0.00 55.06 56.77 1xwe s HIS 1510Cb 0.04 -2.49 -0.06 0.00 -1.02 0.00 0.00 32.58 29.05 1xwe s HIS 1510CO 0.34 -0.30 0.40 -1.64 1.02 0.00 0.00 174.74 174.56 1xwe s MET 1511N -4.40 3.91 0.11 1.40 1.00 -1.26 -5.09 119.30 114.97 1xwe s MET 1511Ca 0.52 0.40 0.09 0.00 0.00 0.00 0.00 55.69 56.69 1xwe s MET 1511Cb -0.10 -3.22 -0.04 0.00 0.00 0.00 0.00 34.83 31.46 1xwe s MET 1511CO 0.40 0.68 -0.19 0.00 0.00 0.00 0.00 175.02 175.91 1xwe s ALA 1512N -1.04 2.64 -0.22 3.03 0.00 -1.26 -5.03 121.76 119.87 1xwe s ALA 1512Ca 0.23 -1.34 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 1xwe s ALA 1512Cb -0.17 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.33 1xwe s ALA 1512CO 0.13 0.58 2.66 -0.25 0.00 0.00 0.00 175.76 178.88 1xwe n ASP 1513N 0.92 5.96 -4.45 0.00 9.92 -1.26 -4.76 116.55 122.88 1xwe n ASP 1513Ca -0.16 -2.84 -0.35 0.00 -0.53 0.00 0.00 54.79 50.91 1xwe n ASP 1513Cb 0.53 -1.22 0.09 0.00 -0.64 0.00 0.00 41.12 39.87 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 1.61 -0.48 0.41 0.00 0.00 -1.24 -4.12 105.19 101.38 1xwe n GLY 1515Ca 0.09 0.07 0.24 0.00 0.00 0.00 0.00 46.02 46.42 1xwe n GLY 1515CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1xwe h GLN 1516N -0.79 0.34 0.00 1.61 3.07 -1.58 -2.50 115.11 115.27 1xwe h GLN 1516Ca -0.39 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.33 1xwe h GLN 1516Cb 1.26 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.75 1xwe h GLN 1516CO 0.49 0.23 0.00 -1.33 0.09 0.00 0.00 178.83 178.31 1xwe n MET 1517N -4.63 0.00 -4.36 0.06 2.81 -1.26 -4.83 117.12 104.91 1xwe n MET 1517Ca 0.27 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.98 1xwe n MET 1517Cb 0.94 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 33.35 1xwe n MET 1517CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1xwe s GLN 1518N 0.00 1.43 1.24 0.03 -2.07 -1.25 -5.04 119.66 113.99 1xwe s GLN 1518Ca 0.00 -1.75 -0.19 0.00 -1.82 0.00 0.00 55.36 51.60 1xwe s GLN 1518Cb 0.00 -0.60 0.30 0.00 -1.09 0.00 0.00 33.01 31.62 1xwe s GLN 1518CO 0.00 -0.16 1.05 -1.21 -1.32 0.00 0.00 175.29 173.65 1xwe s GLU 1519N -3.91 -1.52 -0.02 9.60 2.02 -1.26 -4.82 118.70 118.79 1xwe s GLU 1519Ca 0.32 0.12 -0.09 0.00 0.02 0.00 0.00 54.97 55.34 1xwe s GLU 1519Cb 0.07 -1.54 -0.05 0.00 0.10 0.00 0.00 34.13 32.70 1xwe s GLU 1519CO 0.11 -3.95 0.29 -1.21 0.02 0.00 0.00 175.26 170.53 1xwe s GLU 1520N -5.19 3.66 -1.83 1.61 2.02 -1.26 -4.17 118.70 113.55 1xwe s GLU 1520Ca 0.69 0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.77 1xwe s GLU 1520Cb -0.13 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 30.96 1xwe s GLU 1520CO 0.57 0.69 0.00 1.28 0.02 0.00 0.00 175.26 177.82 1xwe n LEU 1521N 1.53 -1.41 -4.54 1.80 4.77 -1.26 -4.84 117.00 113.05 1xwe n LEU 1521Ca -0.14 0.35 -0.42 0.00 -0.03 0.00 0.00 56.01 55.77 1xwe n LEU 1521Cb 0.53 -2.59 -0.05 0.00 -2.33 0.00 0.00 43.42 38.99 1xwe n LEU 1521CO 0.37 -0.75 1.94 -0.67 -1.33 0.00 0.00 177.39 176.95 1xwe n ASP 1522N -1.29 2.47 -0.87 -1.43 -0.08 -1.26 -4.78 116.55 109.32 1xwe n ASP 1522Ca -0.19 -0.04 0.11 0.00 -1.51 0.00 0.00 54.79 53.16 1xwe n ASP 1522Cb 0.61 -1.47 0.28 0.00 2.34 0.00 0.00 41.12 42.89 1xwe n ASP 1522CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1xwe n LEU 1523N 12.92 2.59 -0.10 -2.67 4.77 -1.26 -4.05 117.00 129.20 1xwe n LEU 1523Ca 0.37 -1.11 0.10 0.00 -0.03 0.00 0.00 56.01 55.34 1xwe n LEU 1523Cb 0.42 -0.19 0.55 0.00 -2.33 0.00 0.00 43.42 41.87 1xwe n LEU 1523CO 0.72 0.55 0.86 0.35 -1.33 0.00 0.00 177.39 178.54 1xwe n THR 1524N 0.93 0.03 -4.34 -5.08 -2.24 -1.26 -4.70 114.28 97.62 1xwe n THR 1524Ca 0.18 -0.06 -0.31 0.00 -2.27 0.00 0.00 64.05 61.59 1xwe n THR 1524Cb 0.47 -0.18 -0.16 0.00 -2.10 0.00 0.00 70.33 68.35 1xwe n THR 1524CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xwe s ILE 1525N -1.97 1.75 0.87 2.28 1.01 -1.26 -5.13 121.20 118.76 1xwe s ILE 1525Ca 0.30 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 60.05 1xwe s ILE 1525Cb 0.14 -1.59 0.15 0.00 0.01 0.00 0.00 42.46 41.17 1xwe s ILE 1525CO 0.23 0.49 1.22 -0.55 0.00 0.00 0.00 174.94 176.33 1xwe s SER 1526N 1.12 3.76 0.01 3.58 0.15 -1.26 -4.98 113.70 116.09 1xwe s SER 1526Ca -0.02 0.33 -0.25 0.00 0.70 0.00 0.00 55.95 56.71 1xwe s SER 1526Cb -0.14 -0.58 -0.15 0.00 -1.71 0.00 0.00 66.02 63.43 1xwe s SER 1526CO -0.06 -2.32 1.15 0.00 1.20 0.00 0.00 173.24 173.22 1xwe h ALA 1527N -1.26 -0.64 0.00 5.45 0.00 -2.00 -3.02 119.26 117.79 1xwe h ALA 1527Ca -0.44 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1xwe h ALA 1527Cb 1.27 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1xwe h ALA 1527CO 0.47 -0.69 0.00 0.93 0.00 0.00 0.00 179.25 179.96 1xwe h GLU 1528N -0.97 0.00 -0.83 0.00 5.08 -1.96 -0.24 114.58 115.67 1xwe h GLU 1528Ca -0.06 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1xwe h GLU 1528Cb 0.59 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 1xwe h GLU 1528CO 0.11 0.00 0.50 1.15 -1.00 0.00 0.00 179.01 179.77 1xwe h THR 1529N 0.00 1.01 0.00 1.13 2.02 -1.91 -2.11 112.91 113.05 1xwe h THR 1529Ca 0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1xwe h THR 1529Cb 0.19 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1xwe h THR 1529CO 0.00 0.16 -1.31 -2.11 0.37 0.00 0.00 175.52 172.63 1xwe n ARG 1530N -4.66 1.11 -0.10 6.66 1.85 -1.01 -4.52 116.66 115.98 1xwe n ARG 1530Ca 0.12 -0.09 -0.11 0.00 -1.00 0.00 0.00 57.85 56.77 1xwe n ARG 1530Cb 0.20 -1.28 -0.03 0.00 -1.05 0.00 0.00 32.46 30.29 1xwe n ARG 1530CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1xwe h LYS 1531N 0.00 0.54 0.00 2.89 1.63 -0.88 -2.23 116.57 118.52 1xwe h LYS 1531Ca 0.00 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 1xwe h LYS 1531Cb 0.55 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1xwe h LYS 1531CO 0.00 0.71 0.00 -0.56 -3.45 0.00 0.00 179.45 176.15 1xwe h GLN 1532N 0.32 0.00 0.01 1.90 3.07 -1.62 -0.27 115.11 118.53 1xwe h GLN 1532Ca 0.08 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.61 1xwe h GLN 1532Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.03 1xwe h GLN 1532CO 0.02 0.00 -0.93 1.15 0.09 0.00 0.00 178.83 179.16 1xwe h THR 1533N 0.00 1.47 -0.02 1.86 2.02 -1.64 -3.10 112.91 113.51 1xwe h THR 1533Ca 0.00 -2.62 0.00 0.00 0.77 0.00 0.00 66.41 64.57 1xwe h THR 1533Cb 0.05 2.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1xwe h THR 1533CO 0.00 0.77 0.06 0.00 0.37 0.00 0.00 175.52 176.71 1xwe h ALA 1534N 0.87 1.22 0.00 6.16 0.00 -1.00 0.76 119.26 127.27 1xwe h ALA 1534Ca -0.06 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1xwe h ALA 1534Cb 1.57 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1xwe h ALA 1534CO 0.15 -0.06 -0.95 0.00 0.00 0.00 0.00 179.25 178.39 1xwe n LYS 1536N -3.13 0.91 0.24 0.00 5.02 0.26 -4.88 118.16 116.57 1xwe n LYS 1536Ca -0.03 0.35 0.16 0.00 -2.02 0.00 0.00 58.31 56.77 1xwe n LYS 1536Cb 0.82 -2.21 0.62 0.00 -0.02 0.00 0.00 35.03 34.25 1xwe n LYS 1536CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1xwe h PRO 1537N 0.47 0.00 0.00 1.97 0.13 -1.91 -2.73 132.00 129.94 1xwe h PRO 1537Ca -0.49 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 1xwe h PRO 1537Cb 1.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 1xwe h PRO 1537CO 0.51 0.00 -0.20 1.05 -0.23 0.00 0.00 178.00 179.13 1xwe h GLU 1538N 0.00 0.00 -4.71 0.86 4.11 -1.90 -3.40 114.58 109.54 1xwe h GLU 1538Ca 0.00 0.00 -0.70 0.00 0.07 0.00 0.00 59.36 58.73 1xwe h GLU 1538Cb 0.50 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.56 1xwe h GLU 1538CO 0.00 0.20 0.04 0.42 0.07 0.00 0.00 179.01 179.74 1xwe s ILE 1539N -3.52 4.89 0.14 -1.06 -1.09 -1.03 -2.35 121.20 117.18 1xwe s ILE 1539Ca 0.02 -0.87 -0.09 0.00 -2.23 0.00 0.00 60.65 57.48 1xwe s ILE 1539Cb 0.09 -4.39 -0.10 0.00 -1.58 0.00 0.00 42.46 36.48 1xwe s ILE 1539CO 0.64 -0.97 1.40 0.00 -1.23 0.00 0.00 174.94 174.78 1xwe h ALA 1540N 9.07 0.48 -2.33 9.38 0.00 -0.55 -3.46 119.26 131.86 1xwe h ALA 1540Ca -0.29 -0.55 -0.15 0.00 0.00 0.00 0.00 54.91 53.93 1xwe h ALA 1540Cb 1.09 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.67 1xwe h ALA 1540CO 1.04 0.69 -0.66 1.52 0.00 0.00 0.00 179.25 181.84 1xwe s TYR 1541N -3.95 0.66 -0.32 0.00 -0.85 -0.78 -4.41 117.35 107.70 1xwe s TYR 1541Ca -0.09 -1.13 0.01 0.00 -0.52 0.00 0.00 57.07 55.34 1xwe s TYR 1541Cb 0.10 -0.42 0.14 0.00 0.38 0.00 0.00 41.96 42.17 1xwe s TYR 1541CO 0.88 -0.45 0.33 0.00 -1.52 0.00 0.00 175.55 174.80 1xwe s ALA 1542N -3.97 -0.49 0.31 9.51 0.00 -0.87 -2.16 121.76 124.08 1xwe s ALA 1542Ca 0.14 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.61 1xwe s ALA 1542Cb 0.08 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 1xwe s ALA 1542CO -0.05 -1.87 0.35 2.48 0.00 0.00 0.00 175.76 176.67 1xwe n TYR 1543N 4.93 -1.03 -5.15 0.00 0.18 -0.91 -1.94 117.16 113.23 1xwe n TYR 1543Ca 0.03 -2.34 -0.32 0.00 1.88 0.00 0.00 57.90 57.15 1xwe n TYR 1543Cb 0.46 0.38 -0.16 0.00 -0.38 0.00 0.00 39.34 39.64 1xwe n TYR 1543CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1xwe s LYS 1544N -2.98 2.80 0.31 -3.48 2.20 -0.51 -2.21 119.74 115.87 1xwe s LYS 1544Ca 0.31 -0.85 0.03 0.00 -0.36 0.00 0.00 55.97 55.11 1xwe s LYS 1544Cb 0.00 -2.28 -0.01 0.00 -1.51 0.00 0.00 37.83 34.03 1xwe s LYS 1544CO 0.22 0.32 0.12 1.33 -0.36 0.00 0.00 175.35 176.98 1xwe n VAL 1545N 3.14 0.00 -3.71 4.02 0.24 -0.95 -1.00 118.33 120.07 1xwe n VAL 1545Ca -0.18 -1.81 -0.13 0.00 -2.04 0.00 0.00 64.34 60.18 1xwe n VAL 1545Cb 0.52 0.67 -0.13 0.00 -1.47 0.00 0.00 33.84 33.43 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 -2.90 -0.06 0.33 -1.34 0.15 -0.83 -2.08 113.70 106.98 1xwe s SER 1546Ca 0.17 0.53 -0.28 0.00 0.70 0.00 0.00 55.95 57.07 1xwe s SER 1546Cb 0.01 0.48 -0.09 0.00 -1.71 0.00 0.00 66.02 64.70 1xwe s SER 1546CO 0.12 -0.19 1.18 -0.63 1.20 0.00 0.00 173.24 174.92 1xwe s ILE 1547N 1.62 3.15 0.00 6.45 -1.09 0.05 -2.18 121.20 129.19 1xwe s ILE 1547Ca -0.06 1.09 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 1xwe s ILE 1547Cb -0.11 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1xwe s ILE 1547CO -0.08 0.21 0.00 0.35 -1.23 0.00 0.00 174.94 174.19 1xwe n THR 1548N 0.70 0.00 -4.10 2.92 -2.24 -0.93 -1.00 114.28 109.64 1xwe n THR 1548Ca 0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 1xwe n THR 1548Cb 0.44 -0.92 -0.09 0.00 -2.10 0.00 0.00 70.33 67.67 1xwe n THR 1548CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1xwe s SER 1549N -4.43 0.19 -0.10 3.42 0.01 -0.77 -4.41 113.70 107.61 1xwe s SER 1549Ca 0.00 -1.14 -0.01 0.00 1.31 0.00 0.00 55.95 56.11 1xwe s SER 1549Cb 0.00 0.36 0.03 0.00 0.21 0.00 0.00 66.02 66.62 1xwe s SER 1549CO 0.00 -0.81 -0.06 -0.63 0.41 0.00 0.00 173.24 172.15 1xwe s ILE 1550N -4.05 0.85 -0.25 1.44 1.01 -1.26 -1.60 121.20 117.35 1xwe s ILE 1550Ca 0.25 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.57 1xwe s ILE 1550Cb 0.06 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 1xwe s ILE 1550CO 0.04 0.34 0.37 -0.89 0.00 0.00 0.00 174.94 174.79 1xwe s THR 1551N 1.77 5.19 -0.19 2.92 2.01 -0.11 -4.97 115.64 122.26 1xwe s THR 1551Ca 0.05 0.59 -0.03 0.00 0.31 0.00 0.00 61.69 62.61 1xwe s THR 1551Cb -0.12 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 1xwe s THR 1551CO -0.07 0.20 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.30 1xwe s VAL 1552N 1.77 3.30 0.00 3.82 1.01 -1.26 -1.10 120.40 127.94 1xwe s VAL 1552Ca 0.16 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1xwe s VAL 1552Cb -0.15 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1xwe s VAL 1552CO 0.09 0.46 0.00 1.21 0.00 0.00 0.00 175.10 176.86 1xwe n GLU 1553N 4.38 0.00 0.00 2.72 2.13 -1.26 -5.04 120.64 123.58 1xwe n GLU 1553Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1xwe n GLU 1553Cb 0.51 -0.11 0.00 0.00 0.27 0.00 0.00 31.44 32.11 1xwe n GLU 1553CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1xwe n ASN 1554N -1.83 0.00 -0.08 4.31 4.05 -1.26 -4.99 115.26 115.46 1xwe n ASN 1554Ca 0.00 0.00 -0.15 0.00 0.45 0.00 0.00 54.58 54.88 1xwe n ASN 1554Cb 0.00 0.21 -0.14 0.00 1.23 0.00 0.00 39.78 41.08 1xwe n ASN 1554CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1xwe n VAL 1555N -1.73 1.53 -3.73 3.44 0.31 -1.26 -4.86 118.33 112.03 1xwe n VAL 1555Ca 0.00 -0.70 -0.38 0.00 -0.01 0.00 0.00 64.34 63.25 1xwe n VAL 1555Cb 0.00 -1.14 -0.12 0.00 -0.91 0.00 0.00 33.84 31.67 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 3.15 0.16 3.52 0.08 -1.26 -2.52 117.98 118.58 1xwe s PHE 1556Ca -0.21 -0.79 -0.16 0.00 0.12 0.00 0.00 56.93 55.89 1xwe s PHE 1556Cb 0.08 -2.28 -0.07 0.00 -0.57 0.00 0.00 43.02 40.17 1xwe s PHE 1556CO 0.73 -0.52 0.59 0.08 -0.10 0.00 0.00 175.22 176.00 1xwe s VAL 1557N 1.55 4.79 0.16 -0.44 1.01 -0.51 -4.08 120.40 122.88 1xwe s VAL 1557Ca 0.04 0.95 0.07 0.00 0.00 0.00 0.00 61.98 63.03 1xwe s VAL 1557Cb -0.17 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1xwe s VAL 1557CO 0.04 0.26 -0.14 -0.54 0.00 0.00 0.00 175.10 174.71 1xwe s LYS 1558N -1.90 1.17 -0.04 2.72 1.02 -0.26 -1.18 119.74 121.28 1xwe s LYS 1558Ca 0.38 -1.41 -0.01 0.00 0.02 0.00 0.00 55.97 54.95 1xwe s LYS 1558Cb -0.16 -1.02 0.03 0.00 -0.52 0.00 0.00 37.83 36.17 1xwe s LYS 1558CO 0.19 0.18 0.06 0.71 -0.92 0.00 0.00 175.35 175.58 1xwe s TYR 1559N -2.53 0.03 -0.43 3.18 2.02 0.16 -0.94 117.35 118.85 1xwe s TYR 1559Ca 0.15 0.25 -0.19 0.00 -0.37 0.00 0.00 57.07 56.91 1xwe s TYR 1559Cb -0.03 -0.38 0.02 0.00 -0.40 0.00 0.00 41.96 41.17 1xwe s TYR 1559CO 0.05 -0.16 0.53 0.15 -1.57 0.00 0.00 175.55 174.55 1xwe s LYS 1560N 1.82 3.19 0.35 -0.62 -0.14 -0.63 -2.19 119.74 121.52 1xwe s LYS 1560Ca 0.00 -0.57 0.04 0.00 -1.36 0.00 0.00 55.97 54.08 1xwe s LYS 1560Cb -0.12 -3.96 -0.06 0.00 -1.68 0.00 0.00 37.83 32.01 1xwe s LYS 1560CO -0.03 -0.92 0.06 0.00 -0.76 0.00 0.00 175.35 173.69 1xwe s ALA 1561N 2.46 2.60 -0.01 5.17 0.00 -0.91 -1.85 121.76 129.22 1xwe s ALA 1561Ca 0.17 -1.92 0.04 0.00 0.00 0.00 0.00 51.96 50.25 1xwe s ALA 1561Cb -0.16 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.54 1xwe s ALA 1561CO 0.16 -0.28 -0.15 0.99 0.00 0.00 0.00 175.76 176.49 1xwe s THR 1562N -3.20 1.16 0.29 0.00 2.01 -0.93 -2.41 115.64 112.57 1xwe s THR 1562Ca 0.34 -0.62 -0.29 0.00 0.31 0.00 0.00 61.69 61.42 1xwe s THR 1562Cb 0.08 -0.97 -0.10 0.00 0.01 0.00 0.00 72.50 71.52 1xwe s THR 1562CO 0.15 0.33 1.28 -0.22 -0.69 0.00 0.00 174.62 175.47 1xwe s LEU 1563N -0.31 4.44 -0.21 4.42 1.98 -0.42 -1.96 118.68 126.62 1xwe s LEU 1563Ca 0.05 2.54 -0.01 0.00 -2.89 0.00 0.00 54.13 53.82 1xwe s LEU 1563Cb -0.06 -3.63 -0.13 0.00 0.66 0.00 0.00 46.19 43.03 1xwe s LEU 1563CO -0.00 -0.47 -0.20 0.18 -1.89 0.00 0.00 176.35 173.96 1xwe n LEU 1564N 1.40 2.66 -3.62 -0.68 4.32 -0.17 -2.94 117.00 117.97 1xwe n LEU 1564Ca 0.02 -0.03 -0.10 0.00 -0.02 0.00 0.00 56.01 55.89 1xwe n LEU 1564Cb 0.42 -0.70 -0.07 0.00 -1.62 0.00 0.00 43.42 41.46 1xwe n LEU 1564CO 0.58 0.76 0.75 -0.62 -1.22 0.00 0.00 177.39 177.64 1xwe s ASP 1565N -6.21 -0.43 -0.08 -1.43 2.15 -0.97 -4.22 116.67 105.49 1xwe s ASP 1565Ca -0.28 0.76 0.04 0.00 0.43 0.00 0.00 52.55 53.49 1xwe s ASP 1565Cb 0.08 0.74 -0.02 0.00 -0.30 0.00 0.00 42.92 43.43 1xwe s ASP 1565CO 0.45 -0.19 -0.18 -0.63 -0.17 0.00 0.00 175.17 174.45 1xwe s ILE 1566N -0.08 2.65 -0.04 4.11 1.01 -1.26 -1.42 121.20 126.18 1xwe s ILE 1566Ca 0.02 -0.84 0.15 0.00 0.00 0.00 0.00 60.65 59.98 1xwe s ILE 1566Cb -0.04 -2.04 -0.23 0.00 0.01 0.00 0.00 42.46 40.16 1xwe s ILE 1566CO -0.04 0.56 0.30 -1.22 0.00 0.00 0.00 174.94 174.54 1xwe n TYR 1567N 2.90 0.00 -3.53 3.97 4.01 -0.82 -4.87 117.16 118.82 1xwe n TYR 1567Ca -0.18 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.34 1xwe n TYR 1567Cb 0.52 -0.40 -0.14 0.00 -0.31 0.00 0.00 39.34 39.01 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 -2.97 0.16 0.55 -0.72 2.20 -0.90 -4.94 119.74 113.13 1xwe s LYS 1568Ca -0.06 -0.08 -0.18 0.00 -0.36 0.00 0.00 55.97 55.30 1xwe s LYS 1568Cb 0.09 -1.35 -0.13 0.00 -1.51 0.00 0.00 37.83 34.93 1xwe s LYS 1568CO 0.63 -0.78 0.04 2.41 -0.36 0.00 0.00 175.35 177.29 1xwe n THR 1569N 5.29 0.64 0.87 3.43 -1.04 -1.26 -2.05 114.28 120.16 1xwe n THR 1569Ca -0.06 -0.50 0.11 0.00 -2.04 0.00 0.00 64.05 61.57 1xwe n THR 1569Cb 0.48 -0.20 0.06 0.00 -1.82 0.00 0.00 70.33 68.85 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 2.33 -1.16 4.34 3.41 0.00 -1.26 -3.96 105.19 108.89 1xwe n GLY 1570Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.64 0.00 -2.50 1.61 1.02 -1.26 -4.65 120.64 113.23 1xwe n GLU 1571Ca 0.04 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 1xwe n GLU 1571Cb 0.36 -0.46 0.01 0.00 -0.02 0.00 0.00 31.44 31.33 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 5.86 -2.98 0.62 0.00 -1.26 -4.82 120.51 117.93 1xwe n ALA 1572Ca 0.00 -4.46 -0.06 0.00 0.00 0.00 0.00 53.44 48.92 1xwe n ALA 1572Cb 0.00 -2.57 0.01 0.00 0.00 0.00 0.00 19.45 16.88 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 1.57 -7.78 -4.19 0.00 0.31 -1.26 -4.85 118.33 102.13 1xwe n VAL 1573Ca 0.44 1.08 -0.12 0.00 -0.01 0.00 0.00 64.34 65.73 1xwe n VAL 1573Cb 0.30 -5.34 -0.10 0.00 -0.91 0.00 0.00 33.84 27.78 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 -1.56 1.10 0.11 3.52 0.00 -1.26 -4.89 121.76 118.78 1xwe s ALA 1574Ca 0.08 -1.53 -0.25 0.00 0.00 0.00 0.00 51.96 50.26 1xwe s ALA 1574Cb -0.01 0.73 0.08 0.00 0.00 0.00 0.00 23.12 23.92 1xwe s ALA 1574CO 0.54 -0.41 1.13 -1.83 0.00 0.00 0.00 175.76 175.19 1xwe s GLU 1575N -3.99 0.96 -0.04 0.00 -1.05 -1.26 -4.87 118.70 108.44 1xwe s GLU 1575Ca 0.24 -0.61 0.00 0.00 -0.15 0.00 0.00 54.97 54.45 1xwe s GLU 1575Cb 0.07 0.27 0.04 0.00 -0.44 0.00 0.00 34.13 34.07 1xwe s GLU 1575CO 0.03 -0.45 1.64 0.36 0.95 0.00 0.00 175.26 177.79 1xwe n LYS 1576N -0.74 1.11 0.00 -4.83 2.85 -1.26 -3.56 118.16 111.72 1xwe n LYS 1576Ca -0.01 -0.22 0.00 0.00 -1.05 0.00 0.00 58.31 57.02 1xwe n LYS 1576Cb 0.59 -1.09 0.00 0.00 -0.65 0.00 0.00 35.03 33.89 1xwe n LYS 1576CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1xwe n ASP 1577N 0.96 0.00 -1.91 -5.58 5.75 -1.15 -3.86 116.55 110.75 1xwe n ASP 1577Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 1xwe n ASP 1577Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1xwe n ASP 1577CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1xwe n SER 1578N 0.00 0.00 -4.41 -1.12 3.41 -1.23 -4.70 113.62 105.56 1xwe n SER 1578Ca 0.00 -0.80 -0.33 0.00 -0.26 0.00 0.00 58.87 57.48 1xwe n SER 1578Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.74 3.19 0.03 4.33 -6.30 -1.26 -1.30 118.70 115.64 1xwe s GLU 1579Ca 0.00 -0.67 0.03 0.00 -2.50 0.00 0.00 54.97 51.83 1xwe s GLU 1579Cb 0.00 -2.59 -0.02 0.00 0.00 0.00 0.00 34.13 31.52 1xwe s GLU 1579CO 0.00 0.32 -0.09 0.96 0.02 0.00 0.00 175.26 176.47 1xwe s ILE 1580N 0.07 0.71 -0.07 -3.70 -4.36 -1.01 -4.93 121.20 107.90 1xwe s ILE 1580Ca -0.05 -0.80 -0.01 0.00 -0.26 0.00 0.00 60.65 59.54 1xwe s ILE 1580Cb -0.14 -0.68 0.03 0.00 1.25 0.00 0.00 42.46 42.92 1xwe s ILE 1580CO 0.04 -0.09 -0.03 -0.89 0.24 0.00 0.00 174.94 174.21 1xwe s THR 1581N -0.82 0.54 -0.12 8.37 2.01 -1.26 -2.15 115.64 122.21 1xwe s THR 1581Ca -0.02 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.93 1xwe s THR 1581Cb -0.07 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 1xwe s THR 1581CO 0.00 0.27 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.83 1xwe s PHE 1582N 1.63 3.08 0.09 4.92 0.40 -0.93 0.41 117.98 127.57 1xwe s PHE 1582Ca 0.01 -0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.36 1xwe s PHE 1582Cb -0.13 -1.87 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 1xwe s PHE 1582CO -0.04 0.23 -0.15 0.96 0.70 0.00 0.00 175.22 176.91 1xwe s ILE 1583N -0.29 1.24 0.38 0.64 -4.36 -0.86 -0.66 121.20 117.29 1xwe s ILE 1583Ca 0.05 -1.43 -0.07 0.00 -0.26 0.00 0.00 60.65 58.95 1xwe s ILE 1583Cb -0.12 -1.24 0.03 0.00 1.25 0.00 0.00 42.46 42.37 1xwe s ILE 1583CO 0.02 -0.25 0.61 2.29 0.24 0.00 0.00 174.94 177.85 1xwe n LYS 1584N 1.08 0.88 -1.07 0.37 2.85 -0.32 -0.85 118.16 121.09 1xwe n LYS 1584Ca -0.20 -2.66 -0.01 0.00 -1.05 0.00 0.00 58.31 54.40 1xwe n LYS 1584Cb 0.55 2.79 0.00 0.00 -0.65 0.00 0.00 35.03 37.72 1xwe n LYS 1584CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1xwe n LYS 1585N -0.58 1.00 0.16 -1.58 5.02 -1.26 -1.42 118.16 119.50 1xwe n LYS 1585Ca -0.03 -0.10 0.12 0.00 -2.02 0.00 0.00 58.31 56.29 1xwe n LYS 1585Cb 0.60 -0.01 0.20 0.00 -0.02 0.00 0.00 35.03 35.81 1xwe n LYS 1585CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1xwe h VAL 1586N 0.01 0.00 -0.39 -0.18 -1.51 -1.86 -3.18 116.25 109.15 1xwe h VAL 1586Ca -0.01 -0.83 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 1xwe h VAL 1586Cb 0.04 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1xwe h VAL 1586CO 0.01 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 176.70 1xwe n THR 1587N -2.75 0.52 -0.83 7.19 -2.24 -1.26 -3.65 114.28 111.26 1xwe n THR 1587Ca 0.04 -0.53 0.06 0.00 -2.27 0.00 0.00 64.05 61.35 1xwe n THR 1587Cb 0.50 0.28 0.08 0.00 -2.10 0.00 0.00 70.33 69.09 1xwe n THR 1587CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe n THR 1589N -0.99 0.59 0.30 0.00 -2.24 -1.24 -2.81 114.28 107.89 1xwe n THR 1589Ca 0.09 0.15 0.19 0.00 -2.27 0.00 0.00 64.05 62.21 1xwe n THR 1589Cb 0.52 -0.96 1.00 0.00 -2.10 0.00 0.00 70.33 68.80 1xwe n THR 1589CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1xwe h ASN 1590N 0.00 0.00 -3.70 3.42 4.21 -1.83 -3.39 115.58 114.29 1xwe h ASN 1590Ca 0.00 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 56.95 1xwe h ASN 1590Cb 0.09 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.22 1xwe h ASN 1590CO 0.00 0.00 0.90 0.00 -1.29 0.00 0.00 177.43 177.04 1xwe s ALA 1591N -4.39 3.17 -0.42 -0.83 0.00 -0.94 -4.76 121.76 113.59 1xwe s ALA 1591Ca -0.05 -0.49 -0.19 0.00 0.00 0.00 0.00 51.96 51.23 1xwe s ALA 1591Cb 0.14 -3.87 0.02 0.00 0.00 0.00 0.00 23.12 19.40 1xwe s ALA 1591CO 0.46 -2.23 0.56 -1.21 0.00 0.00 0.00 175.76 173.35 1xwe s GLU 1592N 4.39 3.25 0.19 0.00 2.02 -1.26 -5.05 118.70 122.23 1xwe s GLU 1592Ca 0.47 -0.49 0.09 0.00 0.02 0.00 0.00 54.97 55.07 1xwe s GLU 1592Cb -0.07 -3.94 -0.04 0.00 0.10 0.00 0.00 34.13 30.17 1xwe s GLU 1592CO 0.31 -0.92 -0.12 -0.51 0.02 0.00 0.00 175.26 174.04 1xwe s LEU 1593N 2.55 2.88 -0.07 1.80 1.43 -1.26 -5.12 118.68 120.89 1xwe s LEU 1593Ca 0.19 -0.65 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1xwe s LEU 1593Cb -0.15 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.52 1xwe s LEU 1593CO 0.17 0.10 -0.13 -0.69 0.23 0.00 0.00 176.35 176.02 1xwe s VAL 1594N -1.77 1.22 0.06 -1.59 1.01 -1.26 -5.11 120.40 112.95 1xwe s VAL 1594Ca 0.25 -0.53 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 1xwe s VAL 1594Cb -0.08 -1.11 -0.06 0.00 0.00 0.00 0.00 36.38 35.12 1xwe s VAL 1594CO 0.15 0.37 1.33 -1.59 0.00 0.00 0.00 175.10 175.36 1xwe s LYS 1595N 0.66 4.34 0.00 2.72 -2.85 -1.26 -2.96 119.74 120.39 1xwe s LYS 1595Ca -0.15 1.93 0.00 0.00 -1.00 0.00 0.00 55.97 56.76 1xwe s LYS 1595Cb -0.16 -3.38 0.00 0.00 -2.06 0.00 0.00 37.83 32.23 1xwe s LYS 1595CO 0.04 -0.42 0.00 0.41 0.10 0.00 0.00 175.35 175.48 1xwe n GLY 1596N 3.45 0.90 3.83 0.59 0.00 -0.17 -4.95 105.19 108.84 1xwe n GLY 1596Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.91 2.26 -0.03 1.61 0.52 -1.15 -4.91 118.95 116.34 1xwe s ARG 1597Ca 0.00 -1.98 0.05 0.00 -0.52 0.00 0.00 55.73 53.28 1xwe s ARG 1597Cb 0.00 -2.01 -0.03 0.00 0.52 0.00 0.00 34.95 33.43 1xwe s ARG 1597CO 0.00 -0.39 -0.17 -0.65 0.02 0.00 0.00 175.30 174.11 1xwe s GLN 1598N -4.10 2.36 0.04 3.54 -0.21 -1.26 -0.77 119.66 119.26 1xwe s GLN 1598Ca 0.33 -0.78 -0.03 0.00 0.02 0.00 0.00 55.36 54.91 1xwe s GLN 1598Cb 0.00 -2.28 -0.02 0.00 1.00 0.00 0.00 33.01 31.70 1xwe s GLN 1598CO 0.20 0.60 0.02 0.71 -2.12 0.00 0.00 175.29 174.70 1xwe s TYR 1599N -0.74 0.31 -0.13 0.91 2.02 -0.89 -1.81 117.35 117.03 1xwe s TYR 1599Ca 0.12 -0.68 -0.10 0.00 -0.37 0.00 0.00 57.07 56.04 1xwe s TYR 1599Cb -0.10 -0.23 -0.05 0.00 -0.40 0.00 0.00 41.96 41.18 1xwe s TYR 1599CO 0.01 -0.32 0.22 -1.17 -1.57 0.00 0.00 175.55 172.72 1xwe s LEU 1600N -2.17 4.33 -0.05 -1.29 1.98 -0.54 -2.23 118.68 118.72 1xwe s LEU 1600Ca -0.05 0.51 0.03 0.00 -2.89 0.00 0.00 54.13 51.73 1xwe s LEU 1600Cb -0.01 -2.23 0.01 0.00 0.66 0.00 0.00 46.19 44.62 1xwe s LEU 1600CO -0.05 0.28 -0.12 -0.63 -1.89 0.00 0.00 176.35 173.94 1xwe s ILE 1601N -0.40 1.05 -0.17 6.68 1.01 -0.94 -1.99 121.20 126.44 1xwe s ILE 1601Ca 0.15 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.28 1xwe s ILE 1601Cb -0.13 -0.94 0.08 0.00 0.01 0.00 0.00 42.46 41.48 1xwe s ILE 1601CO 0.04 0.32 0.31 -0.04 0.00 0.00 0.00 174.94 175.58 1xwe s MET 1602N 0.39 0.22 0.00 2.79 -1.94 -0.66 -2.14 119.30 117.96 1xwe s MET 1602Ca -0.08 0.74 0.00 0.00 -1.71 0.00 0.00 55.69 54.64 1xwe s MET 1602Cb -0.12 -0.11 0.00 0.00 2.01 0.00 0.00 34.83 36.61 1xwe s MET 1602CO 0.02 -0.35 0.00 0.41 -0.01 0.00 0.00 175.02 175.09 1xwe n GLY 1603N 5.36 -0.98 3.34 -0.03 0.00 -0.92 -1.37 105.19 110.60 1xwe n GLY 1603Ca -0.06 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.16 -0.48 1.61 4.76 -0.99 0.11 118.16 123.01 1xwe n LYS 1604Ca 0.00 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1xwe n LYS 1604Cb 0.00 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.50 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 -0.77 0.63 -4.42 1.97 0.28 -1.26 -4.62 120.64 112.45 1xwe n GLU 1605Ca 0.06 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.72 1xwe n GLU 1605Cb 0.53 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.31 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 -2.97 3.20 -0.27 -1.84 0.00 -1.26 -4.80 121.76 113.82 1xwe s ALA 1606Ca 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 1xwe s ALA 1606Cb 0.00 -1.37 0.08 0.00 0.00 0.00 0.00 23.12 21.84 1xwe s ALA 1606CO 0.00 0.60 0.05 -0.48 0.00 0.00 0.00 175.76 175.94 1xwe s LEU 1607N -1.06 2.18 0.21 0.00 2.34 -1.26 -4.70 118.68 116.40 1xwe s LEU 1607Ca 0.15 -1.39 0.00 0.00 0.06 0.00 0.00 54.13 52.94 1xwe s LEU 1607Cb -0.11 -0.90 0.00 0.00 -0.56 0.00 0.00 46.19 44.62 1xwe s LEU 1607CO 0.04 -0.36 0.00 0.00 -1.06 0.00 0.00 176.35 174.98 1xwe n GLN 1608N 4.83 0.00 -2.18 1.48 1.13 -1.26 -4.90 117.38 116.48 1xwe n GLN 1608Ca -0.05 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.00 1xwe n GLN 1608Cb 0.44 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.77 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 -3.02 -8.31 -1.51 5.09 5.41 -1.26 -4.50 119.36 111.26 1xwe n ILE 1609Ca 0.00 1.32 -0.43 0.00 1.00 0.00 0.00 62.75 64.64 1xwe n ILE 1609Cb 0.00 -5.55 -0.06 0.00 -0.71 0.00 0.00 39.64 33.32 1xwe n ILE 1609CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1xwe n LYS 1610N 0.66 1.10 -3.39 0.38 2.85 -1.26 -3.86 118.16 114.64 1xwe n LYS 1610Ca -0.11 0.21 -0.44 0.00 -1.05 0.00 0.00 58.31 56.92 1xwe n LYS 1610Cb 0.16 -2.81 -0.07 0.00 -0.65 0.00 0.00 35.03 31.67 1xwe n LYS 1610CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1xwe s TYR 1611N 9.31 3.28 0.00 5.58 5.04 -0.77 -4.80 117.35 134.99 1xwe s TYR 1611Ca 1.08 -1.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.45 1xwe s TYR 1611Cb -0.59 -3.50 0.00 0.00 0.35 0.00 0.00 41.96 38.22 1xwe s TYR 1611CO 0.39 -0.93 0.00 0.09 -1.34 0.00 0.00 175.55 173.76 1xwe n ASN 1612N 5.17 0.00 -0.61 4.32 3.02 -1.26 -1.48 115.26 124.41 1xwe n ASN 1612Ca -0.12 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1xwe n ASN 1612Cb 0.41 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.58 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 0.50 2.12 -4.21 5.41 0.00 -1.26 -5.12 120.51 117.95 1xwe n ALA 1613Ca 0.00 -0.78 -0.19 0.00 0.00 0.00 0.00 53.44 52.47 1xwe n ALA 1613Cb 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 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 0.04 1.40 0.00 0.00 7.64 -0.55 -4.99 113.62 117.15 1xwe n SER 1614Ca -0.01 -2.49 0.00 0.00 1.01 0.00 0.00 58.87 57.39 1xwe n SER 1614Cb 0.67 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 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 -0.66 0.00 -1.23 1.43 3.01 -1.26 -1.84 117.46 116.91 1xwe n PHE 1615Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1xwe n PHE 1615Cb 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 1xwe n PHE 1615CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1xwe n ARG 1616N 0.00 -3.32 -1.68 -1.08 1.74 -1.25 -4.83 116.66 106.24 1xwe n ARG 1616Ca 0.00 2.42 -0.44 0.00 -0.77 0.00 0.00 57.85 59.06 1xwe n ARG 1616Cb 0.00 -2.62 -0.04 0.00 -1.02 0.00 0.00 32.46 28.79 1xwe n ARG 1616CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1xwe n TYR 1617N 0.34 2.48 -3.38 -1.55 4.01 -1.26 -4.59 117.16 113.21 1xwe n TYR 1617Ca 0.00 -0.02 -0.16 0.00 -0.16 0.00 0.00 57.90 57.56 1xwe n TYR 1617Cb 0.00 -2.67 -0.09 0.00 -0.31 0.00 0.00 39.34 36.27 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 2.61 -0.43 0.16 -0.72 -4.36 -1.26 -4.65 121.20 112.55 1xwe s ILE 1618Ca 0.84 -0.54 -0.34 0.00 -0.26 0.00 0.00 60.65 60.34 1xwe s ILE 1618Cb -0.57 -0.94 -0.14 0.00 1.25 0.00 0.00 42.46 42.06 1xwe s ILE 1618CO 0.41 -0.46 1.57 -1.22 0.24 0.00 0.00 174.94 175.48 1xwe n TYR 1619N 5.14 2.26 -2.60 1.37 4.02 0.16 -4.77 117.16 122.75 1xwe n TYR 1619Ca 0.01 0.27 -0.38 0.00 -0.01 0.00 0.00 57.90 57.79 1xwe n TYR 1619Cb 0.47 -2.54 -0.05 0.00 -0.02 0.00 0.00 39.34 37.20 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 0.90 4.44 -0.53 -0.72 0.04 -1.26 -2.02 135.00 135.84 1xwe s PRO 1620Ca 0.79 1.54 -0.09 0.00 0.04 0.00 0.00 61.00 63.28 1xwe s PRO 1620Cb -0.68 -2.83 0.14 0.00 0.04 0.00 0.00 34.50 31.17 1xwe s PRO 1620CO 0.38 0.10 0.41 -1.17 0.04 0.00 0.00 177.00 176.76 1xwe s LEU 1621N -2.08 5.77 0.00 -3.56 2.96 -0.03 -4.82 118.68 116.92 1xwe s LEU 1621Ca 0.51 -2.13 0.00 0.00 -0.22 0.00 0.00 54.13 52.30 1xwe s LEU 1621Cb -0.24 -2.02 -0.00 0.00 0.50 0.00 0.00 46.19 44.43 1xwe s LEU 1621CO 0.30 -0.64 0.00 0.47 -1.32 0.00 0.00 176.35 175.16 1xwe n ASP 1622N 4.62 2.22 0.15 3.68 9.92 -1.26 -4.69 116.55 131.19 1xwe n ASP 1622Ca -0.03 -1.51 0.13 0.00 -0.53 0.00 0.00 54.79 52.84 1xwe n ASP 1622Cb 0.41 0.09 0.29 0.00 -0.64 0.00 0.00 41.12 41.27 1xwe n ASP 1622CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1xwe h SER 1623N 0.29 0.00 0.63 -2.24 4.64 -1.88 -3.23 113.55 111.76 1xwe h SER 1623Ca -0.10 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.02 1xwe h SER 1623Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1xwe h SER 1623CO 0.16 0.01 -0.89 0.17 -0.87 0.00 0.00 176.83 175.40 1xwe h LEU 1624N 0.00 0.22 -8.56 5.97 8.10 -1.98 -3.43 115.31 115.64 1xwe h LEU 1624Ca 0.00 -0.19 -0.43 0.00 0.11 0.00 0.00 57.88 57.38 1xwe h LEU 1624Cb 0.85 -0.07 -0.00 0.00 -0.44 0.00 0.00 40.66 41.00 1xwe h LEU 1624CO 0.00 1.00 1.44 -0.89 -4.11 0.00 0.00 178.44 175.88 1xwe s THR 1625N -3.15 3.08 -0.18 0.15 2.01 -1.22 -4.83 115.64 111.50 1xwe s THR 1625Ca -0.02 0.03 -0.28 0.00 0.31 0.00 0.00 61.69 61.72 1xwe s THR 1625Cb 0.10 -3.21 -0.06 0.00 0.01 0.00 0.00 72.50 69.34 1xwe s THR 1625CO 0.83 -0.20 2.19 1.87 -0.69 0.00 0.00 174.62 178.61 1xwe n TRP 1626N 15.53 2.05 -4.46 4.92 -0.00 -0.47 -4.87 117.44 130.13 1xwe n TRP 1626Ca 0.34 -0.17 -0.28 0.00 -0.00 0.00 0.00 57.50 57.40 1xwe n TRP 1626Cb 0.53 -2.74 -0.17 0.00 -0.00 0.00 0.00 31.31 28.94 1xwe n TRP 1626CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1xwe s ILE 1627N 7.75 1.46 0.09 5.87 1.01 -1.25 -1.65 121.20 134.48 1xwe s ILE 1627Ca 0.99 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 61.10 1xwe s ILE 1627Cb -0.35 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 1xwe s ILE 1627CO 0.36 0.43 -0.22 -0.70 0.00 0.00 0.00 174.94 174.82 1xwe s GLU 1628N 0.97 1.27 -0.25 2.79 2.12 -0.84 -3.93 118.70 120.82 1xwe s GLU 1628Ca -0.07 -1.13 -0.26 0.00 0.36 0.00 0.00 54.97 53.87 1xwe s GLU 1628Cb -0.15 -1.53 0.00 0.00 0.26 0.00 0.00 34.13 32.72 1xwe s GLU 1628CO -0.01 0.37 0.89 -0.47 -0.54 0.00 0.00 175.26 175.50 1xwe s TYR 1629N -1.03 3.29 -0.34 5.30 5.04 -1.26 -1.47 117.35 126.87 1xwe s TYR 1629Ca 0.08 1.18 -0.15 0.00 -2.44 0.00 0.00 57.07 55.74 1xwe s TYR 1629Cb -0.10 -3.18 -0.01 0.00 0.35 0.00 0.00 41.96 39.02 1xwe s TYR 1629CO 0.04 -0.47 0.37 -0.46 -1.34 0.00 0.00 175.55 173.68 1xwe s TRP 1630N 3.01 3.21 -0.74 4.97 -0.11 -0.75 -4.69 118.94 123.84 1xwe s TRP 1630Ca 0.38 -0.01 -0.29 0.00 1.22 0.00 0.00 56.10 57.40 1xwe s TRP 1630Cb -0.15 -2.68 -0.15 0.00 -1.50 0.00 0.00 33.47 29.00 1xwe s TRP 1630CO 0.08 -0.43 2.54 -2.30 -4.62 0.00 0.00 176.95 172.23 1xwe n PRO 1631N 5.40 0.52 0.30 5.86 -0.02 -1.26 -4.31 135.00 141.49 1xwe n PRO 1631Ca -0.09 0.01 0.19 0.00 -2.02 0.00 0.00 63.50 61.59 1xwe n PRO 1631Cb 0.49 -2.42 0.97 0.00 -0.02 0.00 0.00 33.50 32.52 1xwe n PRO 1631CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1xwe h ARG 1632N 15.44 0.00 -5.16 -0.52 9.65 -1.94 -3.43 114.38 128.41 1xwe h ARG 1632Ca -0.15 0.00 -0.36 0.00 -1.10 0.00 0.00 59.98 58.37 1xwe h ARG 1632Cb 1.29 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.73 1xwe h ARG 1632CO 1.27 0.03 -0.71 -0.51 2.80 0.00 0.00 179.97 182.85 1xwe s ASP 1633N -5.61 1.95 0.16 -3.80 1.11 -1.26 -5.06 116.67 104.16 1xwe s ASP 1633Ca -0.03 -1.05 0.00 0.00 0.18 0.00 0.00 52.55 51.65 1xwe s ASP 1633Cb 0.12 -0.03 0.00 0.00 1.07 0.00 0.00 42.92 44.08 1xwe s ASP 1633CO 0.49 -0.33 0.00 0.35 1.18 0.00 0.00 175.17 176.86 1xwe n THR 1634N -0.27 0.00 -1.36 -1.27 -2.24 -1.26 -4.80 114.28 103.07 1xwe n THR 1634Ca -0.09 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.58 1xwe n THR 1634Cb 0.61 -0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 68.30 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 -3.04 -0.02 -2.64 4.28 -2.24 -1.26 -1.93 114.28 107.43 1xwe n THR 1635Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1xwe n THR 1635Cb 0.00 -1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 67.17 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 -1.61 0.00 0.15 0.00 2.88 -0.89 -4.94 113.62 109.22 1xwe n SER 1637Ca -0.01 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.46 1xwe n SER 1637Cb 0.51 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.93 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 -0.40 -3.22 -3.46 0.02 -1.61 -3.48 113.55 101.40 1xwe h SER 1638Ca 0.00 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.04 1xwe h SER 1638Cb 0.00 0.10 -0.27 0.00 0.14 0.00 0.00 62.40 62.38 1xwe h SER 1638CO 0.00 0.04 0.53 0.00 -1.14 0.00 0.00 176.83 176.26 1xwe n GLN 1640N 1.85 0.00 0.00 0.00 1.13 -1.26 -4.67 117.38 114.43 1xwe n GLN 1640Ca -0.12 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 55.04 1xwe n GLN 1640Cb 0.56 -0.06 0.47 0.00 0.11 0.00 0.00 30.24 31.32 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xwe n ALA 1641N 0.00 2.00 -0.05 -1.58 0.00 -1.26 -2.04 120.51 117.58 1xwe n ALA 1641Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 1xwe n ALA 1641Cb 0.03 -1.33 -0.11 0.00 0.00 0.00 0.00 19.45 18.04 1xwe n ALA 1641CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xwe n PHE 1642N -1.40 0.00 -0.05 0.00 7.35 -1.26 -4.21 117.46 117.89 1xwe n PHE 1642Ca 0.07 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.66 1xwe n PHE 1642Cb 0.20 -0.61 -0.10 0.00 0.35 0.00 0.00 39.48 39.33 1xwe n PHE 1642CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1xwe h LEU 1643N 0.00 -0.02 -1.27 -2.13 -0.00 -1.83 -0.88 115.31 109.18 1xwe h LEU 1643Ca -0.29 -0.70 0.00 0.00 -0.00 0.00 0.00 57.88 56.89 1xwe h LEU 1643Cb 1.59 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.25 1xwe h LEU 1643CO 0.02 0.81 0.00 0.00 -0.00 0.00 0.00 178.44 179.27 1xwe h ALA 1644N -0.23 1.00 0.05 1.53 0.00 -1.68 -0.38 119.26 119.56 1xwe h ALA 1644Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 1xwe h ALA 1644Cb 0.72 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1xwe h ALA 1644CO 0.00 0.00 -2.20 -1.71 0.00 0.00 0.00 179.25 175.34 1xwe n ASN 1645N -2.32 1.76 0.19 0.00 5.15 -1.23 -4.22 115.26 114.59 1xwe n ASN 1645Ca -0.00 0.07 0.06 0.00 -0.60 0.00 0.00 54.58 54.11 1xwe n ASN 1645Cb 0.11 -0.44 0.33 0.00 -0.53 0.00 0.00 39.78 39.25 1xwe n ASN 1645CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1xwe h LEU 1646N 0.03 0.00 -1.62 1.20 5.85 -0.58 -2.81 115.31 117.37 1xwe h LEU 1646Ca -0.49 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.19 1xwe h LEU 1646Cb 2.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.02 1xwe h LEU 1646CO 0.01 0.35 -0.19 -0.78 -0.34 0.00 0.00 178.44 177.49 1xwe h ASP 1647N 0.00 0.00 -0.32 1.25 3.58 -1.26 -2.82 116.42 116.86 1xwe h ASP 1647Ca -0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1xwe h ASP 1647Cb 0.91 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 1xwe h ASP 1647CO 0.05 0.19 0.15 -0.33 -2.88 0.00 0.00 179.24 176.42 1xwe h GLU 1648N 0.00 0.45 -0.53 0.28 4.39 -1.67 -2.21 114.58 115.30 1xwe h GLU 1648Ca -0.00 -0.06 0.14 0.00 0.34 0.00 0.00 59.36 59.77 1xwe h GLU 1648Cb 0.47 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1xwe h GLU 1648CO 0.03 0.42 0.37 0.35 -1.16 0.00 0.00 179.01 179.01 1xwe h PHE 1649N 0.38 0.07 -0.06 4.33 3.57 -1.63 -0.87 116.94 122.73 1xwe h PHE 1649Ca 0.11 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1xwe h PHE 1649Cb 0.11 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 1xwe h PHE 1649CO -0.02 0.03 -0.09 0.00 -2.23 0.00 0.00 178.31 176.01 1xwe h ALA 1650N 1.74 0.09 0.00 2.41 0.00 -1.46 -3.05 119.26 118.99 1xwe h ALA 1650Ca 0.25 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xwe h ALA 1650Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1xwe h ALA 1650CO -0.02 -0.07 0.00 -1.91 0.00 0.00 0.00 179.25 177.25 1xwe n GLU 1651N -4.69 0.16 0.01 0.00 2.13 -0.66 -2.49 120.64 115.09 1xwe n GLU 1651Ca -0.08 0.36 -0.01 0.00 0.66 0.00 0.00 57.16 58.09 1xwe n GLU 1651Cb 0.33 -1.78 -0.00 0.00 0.27 0.00 0.00 31.44 30.25 1xwe n GLU 1651CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1xwe h ASP 1652N 0.00 -0.04 -0.03 4.31 3.32 -1.10 -0.88 116.42 122.01 1xwe h ASP 1652Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1xwe h ASP 1652Cb 0.38 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1xwe h ASP 1652CO 0.00 0.04 0.08 -0.29 -1.72 0.00 0.00 179.24 177.34 1xwe h ILE 1653N -0.18 0.19 0.00 0.35 6.09 -1.62 0.53 117.51 122.87 1xwe h ILE 1653Ca -0.00 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.47 1xwe h ILE 1653Cb 0.04 0.93 -0.00 0.00 0.47 0.00 0.00 36.82 38.25 1xwe h ILE 1653CO 0.01 0.00 -0.15 0.15 -3.07 0.00 0.00 178.15 175.08 1xwe h PHE 1654N 0.00 0.00 0.00 2.19 3.57 -1.59 -3.30 116.94 117.81 1xwe h PHE 1654Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1xwe h PHE 1654Cb 0.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1xwe h PHE 1654CO 0.00 0.36 -0.01 1.25 -2.23 0.00 0.00 178.31 177.68 1xwe h LEU 1655N -1.00 0.00 0.00 0.59 5.85 -0.89 -3.42 115.31 116.44 1xwe h LEU 1655Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1xwe h LEU 1655Cb 0.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1xwe h LEU 1655CO -0.01 0.41 0.00 0.59 -0.34 0.00 0.00 178.44 179.08 1xwe n ASN 1656N -4.22 0.00 0.00 1.25 5.03 0.16 -5.05 115.26 112.43 1xwe n ASN 1656Ca -0.00 0.74 0.00 0.00 0.87 0.00 0.00 54.58 56.19 1xwe n ASN 1656Cb 0.01 -0.34 0.00 0.00 -1.02 0.00 0.00 39.78 38.42 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 -0.20 0.20 0.63 7.41 0.00 0.30 -4.97 105.19 108.56 1xwe n GLY 1657Ca 0.00 -1.89 0.08 0.00 0.00 0.00 0.00 46.02 44.21 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32