#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 -6.40 -2.62 1.61 7.64 -1.26 -5.01 113.62 107.59 1xwe n SER 1509Ca 0.00 0.46 -0.05 0.00 1.01 0.00 0.00 58.87 60.29 1xwe n SER 1509Cb 0.00 -1.31 -0.04 0.00 -1.01 0.00 0.00 64.21 61.85 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 -2.55 -4.45 -3.42 1.43 -0.00 -1.26 -4.97 115.22 100.00 1xwe n HIS 1510Ca 0.00 2.53 0.01 0.00 -0.00 0.00 0.00 57.72 60.27 1xwe n HIS 1510Cb 0.20 -3.93 -0.03 0.00 -0.00 0.00 0.00 29.99 26.22 1xwe n HIS 1510CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1xwe s MET 1511N -0.77 0.42 0.00 -0.41 1.75 -1.26 -4.61 119.30 114.41 1xwe s MET 1511Ca -0.26 0.98 0.00 0.00 -1.25 0.00 0.00 55.69 55.16 1xwe s MET 1511Cb 0.02 0.58 0.00 0.00 2.84 0.00 0.00 34.83 38.27 1xwe s MET 1511CO 0.80 -0.22 0.00 0.00 -0.65 0.00 0.00 175.02 174.94 1xwe n ALA 1512N 5.26 0.00 -2.25 4.11 0.00 -1.26 -5.02 120.51 121.35 1xwe n ALA 1512Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 1xwe n ALA 1512Cb 0.51 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.98 1xwe n ALA 1512CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xwe n ASP 1513N -2.29 -0.99 -4.60 0.00 5.75 -1.26 -4.84 116.55 108.33 1xwe n ASP 1513Ca 0.00 -1.79 -0.48 0.00 -0.01 0.00 0.00 54.79 52.51 1xwe n ASP 1513Cb 0.00 0.39 -0.04 0.00 -1.03 0.00 0.00 41.12 40.44 1xwe n ASP 1513CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xwe n GLY 1515N 1.99 1.72 5.00 0.00 0.00 -0.18 -3.23 105.19 110.49 1xwe n GLY 1515Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 -3.03 1.61 -0.06 -0.55 -4.51 117.38 110.83 1xwe n GLN 1516Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.99 1xwe n GLN 1516Cb 0.00 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.17 1xwe n GLN 1516CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1xwe n MET 1517N 0.00 -1.61 -0.74 3.69 0.00 -1.26 -4.84 117.12 112.36 1xwe n MET 1517Ca 0.00 1.47 -0.32 0.00 0.00 0.00 0.00 57.70 58.84 1xwe n MET 1517Cb 0.00 -1.36 0.14 0.00 0.00 0.00 0.00 33.22 32.01 1xwe n MET 1517CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1xwe n GLN 1518N 2.33 -0.72 -1.17 3.17 3.00 -0.95 -4.92 117.38 118.11 1xwe n GLN 1518Ca -0.05 -0.17 -0.34 0.00 -0.01 0.00 0.00 57.00 56.43 1xwe n GLN 1518Cb 0.12 -1.88 0.12 0.00 0.00 0.00 0.00 30.24 28.59 1xwe n GLN 1518CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1xwe n GLU 1519N -2.18 0.27 -2.83 -1.09 1.02 -1.26 -4.79 120.64 109.78 1xwe n GLU 1519Ca 0.06 0.17 -0.42 0.00 -0.02 0.00 0.00 57.16 56.94 1xwe n GLU 1519Cb 0.55 -2.41 -0.04 0.00 -0.02 0.00 0.00 31.44 29.53 1xwe n GLU 1519CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1xwe s GLU 1520N -3.97 4.08 -0.23 3.49 8.01 -1.26 -4.54 118.70 124.27 1xwe s GLU 1520Ca 0.74 0.87 -0.08 0.00 0.01 0.00 0.00 54.97 56.51 1xwe s GLU 1520Cb -0.30 -3.70 0.03 0.00 -4.31 0.00 0.00 34.13 25.85 1xwe s GLU 1520CO 0.50 -0.68 0.15 1.28 0.01 0.00 0.00 175.26 176.53 1xwe n LEU 1521N 6.30 -6.88 -3.68 1.80 4.77 -1.26 -5.05 117.00 112.99 1xwe n LEU 1521Ca 0.07 1.97 -0.17 0.00 -0.03 0.00 0.00 56.01 57.85 1xwe n LEU 1521Cb 0.47 -3.31 -0.16 0.00 -2.33 0.00 0.00 43.42 38.10 1xwe n LEU 1521CO 0.51 -3.74 -0.25 1.51 -1.33 0.00 0.00 177.39 174.09 1xwe s ASP 1522N -1.05 0.66 -0.04 -1.43 -4.77 -1.26 -5.01 116.67 103.77 1xwe s ASP 1522Ca -0.18 0.30 0.06 0.00 -3.30 0.00 0.00 52.55 49.42 1xwe s ASP 1522Cb 0.01 0.21 0.24 0.00 -1.09 0.00 0.00 42.92 42.29 1xwe s ASP 1522CO 0.79 -0.23 1.01 0.18 0.70 0.00 0.00 175.17 177.62 1xwe n LEU 1523N 5.15 1.95 0.06 2.11 4.77 -1.26 -3.70 117.00 126.08 1xwe n LEU 1523Ca -0.08 -0.98 -0.00 0.00 -0.03 0.00 0.00 56.01 54.91 1xwe n LEU 1523Cb 0.50 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1xwe n LEU 1523CO 0.07 0.34 -0.06 0.71 -1.33 0.00 0.00 177.39 177.12 1xwe h THR 1524N 1.30 0.72 -2.72 -5.08 1.35 -2.03 -3.45 112.91 102.99 1xwe h THR 1524Ca 0.00 -2.21 -0.66 0.00 -0.55 0.00 0.00 66.41 62.98 1xwe h THR 1524Cb 0.68 2.23 -0.07 0.00 -1.73 0.00 0.00 68.15 69.26 1xwe h THR 1524CO 0.09 0.41 -0.47 -0.63 -0.25 0.00 0.00 175.52 174.67 1xwe s ILE 1525N -2.90 5.48 0.76 6.82 1.01 -1.24 -5.11 121.20 126.02 1xwe s ILE 1525Ca -0.01 0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.84 1xwe s ILE 1525Cb 0.08 -3.42 0.13 0.00 0.01 0.00 0.00 42.46 39.27 1xwe s ILE 1525CO 0.79 0.60 1.05 -0.55 0.00 0.00 0.00 174.94 176.83 1xwe s SER 1526N -0.88 4.18 0.15 3.58 0.15 -1.26 -4.99 113.70 114.62 1xwe s SER 1526Ca 0.15 -0.22 0.06 0.00 0.70 0.00 0.00 55.95 56.64 1xwe s SER 1526Cb -0.12 -0.13 -0.09 0.00 -1.71 0.00 0.00 66.02 63.98 1xwe s SER 1526CO 0.04 -1.99 1.34 0.00 1.20 0.00 0.00 173.24 173.83 1xwe h ALA 1527N -0.71 0.47 0.19 5.45 0.00 -2.00 -3.15 119.26 119.51 1xwe h ALA 1527Ca -0.38 -0.82 -0.33 0.00 0.00 0.00 0.00 54.91 53.38 1xwe h ALA 1527Cb 1.26 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.95 1xwe h ALA 1527CO 0.41 1.09 -1.56 0.93 0.00 0.00 0.00 179.25 180.12 1xwe h GLU 1528N 0.02 0.40 -0.48 0.00 5.08 -1.95 -3.20 114.58 114.45 1xwe h GLU 1528Ca -0.02 -0.68 0.04 0.00 -1.00 0.00 0.00 59.36 57.69 1xwe h GLU 1528Cb 1.63 0.25 -0.04 0.00 0.50 0.00 0.00 28.75 31.09 1xwe h GLU 1528CO 0.13 1.30 0.26 1.15 -1.00 0.00 0.00 179.01 180.85 1xwe h THR 1529N 0.11 0.98 0.00 1.13 2.02 -1.96 -0.28 112.91 114.91 1xwe h THR 1529Ca -0.27 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1xwe h THR 1529Cb 2.09 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1xwe h THR 1529CO 0.21 0.09 0.00 0.08 0.37 0.00 0.00 175.52 176.27 1xwe h ARG 1530N 0.50 0.00 0.00 6.66 0.11 -1.68 -2.57 114.38 117.41 1xwe h ARG 1530Ca 0.21 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.20 1xwe h ARG 1530Cb 0.09 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 1xwe h ARG 1530CO -0.13 0.00 -0.93 -0.22 0.10 0.00 0.00 179.97 178.79 1xwe h LYS 1531N 0.00 0.00 0.00 0.08 3.11 -1.11 -3.30 116.57 115.35 1xwe h LYS 1531Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1xwe h LYS 1531Cb 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 1xwe h LYS 1531CO 0.00 0.23 0.19 1.96 -2.81 0.00 0.00 179.45 179.02 1xwe h GLN 1532N 0.00 0.00 0.00 1.90 1.08 -0.69 0.27 115.11 117.66 1xwe h GLN 1532Ca -0.06 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.89 1xwe h GLN 1532Cb 1.32 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.70 1xwe h GLN 1532CO 0.03 0.00 -1.66 2.41 -0.95 0.00 0.00 178.83 178.67 1xwe n THR 1533N -2.72 1.42 1.32 -0.54 -1.04 -1.24 -3.67 114.28 107.82 1xwe n THR 1533Ca -0.02 -0.76 0.09 0.00 -2.04 0.00 0.00 64.05 61.32 1xwe n THR 1533Cb 0.23 -0.88 0.53 0.00 -1.82 0.00 0.00 70.33 68.40 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 -2.51 2.27 -0.30 2.41 0.00 0.93 -2.41 120.51 120.89 1xwe n ALA 1534Ca -0.15 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1xwe n ALA 1534Cb 0.98 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.05 3.38 0.53 0.00 1.02 -1.01 -4.86 119.74 118.74 1xwe s LYS 1536Ca 0.00 2.15 0.31 0.00 0.02 0.00 0.00 55.97 58.45 1xwe s LYS 1536Cb 0.00 -2.36 1.68 0.00 -0.52 0.00 0.00 37.83 36.63 1xwe s LYS 1536CO 0.00 -0.97 1.94 -1.35 -0.92 0.00 0.00 175.35 174.04 1xwe h PRO 1537N 1.75 0.00 0.00 -1.68 0.11 -1.95 -2.97 132.00 127.26 1xwe h PRO 1537Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xwe h PRO 1537Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1xwe h PRO 1537CO 0.59 0.00 -0.15 1.49 -0.21 0.00 0.00 178.00 179.72 1xwe h GLU 1538N 0.00 0.00 -5.98 1.05 4.81 -1.93 -3.45 114.58 109.09 1xwe h GLU 1538Ca 0.00 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.59 1xwe h GLU 1538Cb 0.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1xwe h GLU 1538CO 0.00 0.00 1.45 -0.89 -0.73 0.00 0.00 179.01 178.84 1xwe n ILE 1539N -3.65 0.23 -0.01 2.32 2.08 -1.12 -3.94 119.36 115.26 1xwe n ILE 1539Ca -0.02 -0.33 -0.01 0.00 0.56 0.00 0.00 62.75 62.95 1xwe n ILE 1539Cb 0.08 -1.94 -0.00 0.00 -0.75 0.00 0.00 39.64 37.02 1xwe n ILE 1539CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1xwe h ALA 1540N 13.35 -0.07 -2.49 -1.39 0.00 -0.24 -3.42 119.26 125.01 1xwe h ALA 1540Ca -0.31 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.06 1xwe h ALA 1540Cb 1.30 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1xwe h ALA 1540CO 1.00 -0.07 -0.45 1.52 0.00 0.00 0.00 179.25 181.26 1xwe s TYR 1541N -1.64 3.48 -0.38 0.00 -0.85 0.00 -4.69 117.35 113.28 1xwe s TYR 1541Ca -0.01 0.11 0.03 0.00 -0.52 0.00 0.00 57.07 56.69 1xwe s TYR 1541Cb 0.00 -1.67 0.16 0.00 0.38 0.00 0.00 41.96 40.83 1xwe s TYR 1541CO 0.03 0.49 0.39 0.00 -1.52 0.00 0.00 175.55 174.93 1xwe s ALA 1542N -1.80 -0.40 0.16 9.51 0.00 -0.90 -1.88 121.76 126.45 1xwe s ALA 1542Ca 0.35 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 1xwe s ALA 1542Cb -0.11 -2.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 1xwe s ALA 1542CO 0.29 -2.15 0.13 1.52 0.00 0.00 0.00 175.76 175.55 1xwe s TYR 1543N 1.34 0.82 -0.14 0.00 -0.85 -0.93 -1.59 117.35 116.00 1xwe s TYR 1543Ca 0.18 -1.16 -0.05 0.00 -0.52 0.00 0.00 57.07 55.52 1xwe s TYR 1543Cb -0.14 -0.39 -0.04 0.00 0.38 0.00 0.00 41.96 41.77 1xwe s TYR 1543CO -0.03 -0.61 0.03 0.21 -1.52 0.00 0.00 175.55 173.63 1xwe s LYS 1544N -4.06 3.56 0.23 -3.49 2.20 -0.57 -1.36 119.74 116.25 1xwe s LYS 1544Ca 0.26 -0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.50 1xwe s LYS 1544Cb 0.06 -3.02 -0.00 0.00 -1.51 0.00 0.00 37.83 33.36 1xwe s LYS 1544CO 0.04 0.45 0.04 1.33 -0.36 0.00 0.00 175.35 176.85 1xwe n VAL 1545N 2.95 0.00 -3.67 4.02 0.24 -0.91 -0.46 118.33 120.51 1xwe n VAL 1545Ca -0.18 -1.19 -0.10 0.00 -2.04 0.00 0.00 64.34 60.83 1xwe n VAL 1545Cb 0.53 0.34 -0.11 0.00 -1.47 0.00 0.00 33.84 33.13 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 -2.32 -0.20 0.42 -1.34 0.15 -0.66 -1.21 113.70 108.55 1xwe s SER 1546Ca 0.06 0.87 -0.25 0.00 0.70 0.00 0.00 55.95 57.33 1xwe s SER 1546Cb 0.00 1.05 -0.08 0.00 -1.71 0.00 0.00 66.02 65.28 1xwe s SER 1546CO 0.04 -0.22 1.32 -0.63 1.20 0.00 0.00 173.24 174.95 1xwe s ILE 1547N 2.24 2.51 0.00 6.45 -1.09 -0.31 -1.91 121.20 129.09 1xwe s ILE 1547Ca -0.03 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.84 1xwe s ILE 1547Cb -0.11 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 1xwe s ILE 1547CO -0.12 0.06 0.00 0.35 -1.23 0.00 0.00 174.94 174.00 1xwe n THR 1548N -0.02 0.00 -3.73 2.92 -2.24 -0.95 -2.09 114.28 108.16 1xwe n THR 1548Ca 0.04 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.70 1xwe n THR 1548Cb 0.44 -0.50 -0.08 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.50 -0.20 -0.02 3.42 0.01 -0.35 -4.63 113.70 109.42 1xwe s SER 1549Ca 0.00 0.02 0.04 0.00 1.31 0.00 0.00 55.95 57.31 1xwe s SER 1549Cb 0.00 0.35 -0.00 0.00 0.21 0.00 0.00 66.02 66.58 1xwe s SER 1549CO 0.00 -0.54 -0.14 -0.63 0.41 0.00 0.00 173.24 172.34 1xwe s ILE 1550N -1.86 1.14 -0.00 1.44 1.01 -1.26 -1.31 121.20 120.35 1xwe s ILE 1550Ca -0.10 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 59.98 1xwe s ILE 1550Cb -0.03 -0.97 -0.00 0.00 0.01 0.00 0.00 42.46 41.46 1xwe s ILE 1550CO 0.01 0.33 -0.03 -0.89 0.00 0.00 0.00 174.94 174.37 1xwe s THR 1551N -0.08 0.20 -0.01 2.92 2.01 -0.71 -4.99 115.64 114.97 1xwe s THR 1551Ca 0.00 -0.15 -0.04 0.00 0.31 0.00 0.00 61.69 61.81 1xwe s THR 1551Cb -0.08 -0.18 0.00 0.00 0.01 0.00 0.00 72.50 72.25 1xwe s THR 1551CO 0.01 0.03 0.09 0.54 -0.69 0.00 0.00 174.62 174.59 1xwe s VAL 1552N -0.13 0.05 0.00 3.82 0.11 -1.26 -0.53 120.40 122.45 1xwe s VAL 1552Ca 0.00 -0.37 -0.02 0.00 -2.93 0.00 0.00 61.98 58.66 1xwe s VAL 1552Cb -0.01 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.58 1xwe s VAL 1552CO -0.00 -0.21 -0.04 -0.62 -3.33 0.00 0.00 175.10 170.90 1xwe n GLU 1553N 2.30 0.06 0.00 1.54 -0.58 -1.25 -5.04 120.64 117.68 1xwe n GLU 1553Ca -0.18 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 1xwe n GLU 1553Cb 0.57 -0.39 0.00 0.00 -0.57 0.00 0.00 31.44 31.05 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 -2.96 0.00 -0.05 1.62 3.02 -1.26 -5.03 115.26 110.59 1xwe n ASN 1554Ca -0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.42 1xwe n ASN 1554Cb 0.06 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.19 1xwe n ASN 1554CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1xwe n VAL 1555N -2.29 0.70 -2.27 2.41 0.24 -1.26 -4.99 118.33 110.88 1xwe n VAL 1555Ca 0.00 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.34 61.78 1xwe n VAL 1555Cb 0.00 -1.68 -0.03 0.00 -1.47 0.00 0.00 33.84 30.66 1xwe n VAL 1555CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1xwe s PHE 1556N -2.22 2.85 -0.33 6.34 0.08 -1.26 -3.52 117.98 119.91 1xwe s PHE 1556Ca -0.15 0.86 -0.07 0.00 0.12 0.00 0.00 56.93 57.69 1xwe s PHE 1556Cb 0.05 -3.62 0.03 0.00 -0.57 0.00 0.00 43.02 38.91 1xwe s PHE 1556CO 0.19 -2.28 0.11 0.08 -0.10 0.00 0.00 175.22 173.22 1xwe s VAL 1557N 2.58 3.88 0.43 -0.44 1.01 -0.60 -3.76 120.40 123.50 1xwe s VAL 1557Ca 0.62 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 1xwe s VAL 1557Cb -0.29 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 1xwe s VAL 1557CO 0.25 -0.14 0.90 -0.54 0.00 0.00 0.00 175.10 175.57 1xwe s LYS 1558N 1.43 4.07 -0.17 2.72 3.01 0.31 -1.42 119.74 129.69 1xwe s LYS 1558Ca -0.01 0.93 -0.03 0.00 -1.01 0.00 0.00 55.97 55.86 1xwe s LYS 1558Cb -0.19 -2.23 0.06 0.00 -1.01 0.00 0.00 37.83 34.45 1xwe s LYS 1558CO 0.03 -0.06 0.04 0.71 0.51 0.00 0.00 175.35 176.58 1xwe s TYR 1559N -2.28 0.82 -0.48 3.18 2.02 0.61 -1.74 117.35 119.48 1xwe s TYR 1559Ca 0.59 -0.66 -0.23 0.00 -0.37 0.00 0.00 57.07 56.39 1xwe s TYR 1559Cb -0.10 -0.93 0.03 0.00 -0.40 0.00 0.00 41.96 40.56 1xwe s TYR 1559CO 0.20 -0.55 0.83 0.15 -1.57 0.00 0.00 175.55 174.61 1xwe s LYS 1560N 1.93 3.39 0.10 -0.62 -0.14 -0.43 -0.73 119.74 123.24 1xwe s LYS 1560Ca 0.00 -0.15 0.03 0.00 -1.36 0.00 0.00 55.97 54.50 1xwe s LYS 1560Cb -0.16 -3.97 -0.04 0.00 -1.68 0.00 0.00 37.83 31.98 1xwe s LYS 1560CO -0.08 -1.22 -0.09 0.00 -0.76 0.00 0.00 175.35 173.20 1xwe s ALA 1561N 3.47 1.13 -0.13 5.17 0.00 -0.97 -1.21 121.76 129.22 1xwe s ALA 1561Ca 0.30 -1.26 -0.04 0.00 0.00 0.00 0.00 51.96 50.96 1xwe s ALA 1561Cb -0.12 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1xwe s ALA 1561CO 0.22 -0.08 0.03 0.99 0.00 0.00 0.00 175.76 176.92 1xwe s THR 1562N -2.79 4.56 0.35 0.00 2.01 -0.80 -3.01 115.64 115.95 1xwe s THR 1562Ca 0.08 -0.14 -0.28 0.00 0.31 0.00 0.00 61.69 61.66 1xwe s THR 1562Cb -0.01 -2.97 -0.10 0.00 0.01 0.00 0.00 72.50 69.43 1xwe s THR 1562CO -0.01 0.55 1.28 -0.22 -0.69 0.00 0.00 174.62 175.54 1xwe s LEU 1563N -0.41 4.37 -0.25 4.42 0.20 -1.09 -1.65 118.68 124.26 1xwe s LEU 1563Ca 0.09 2.62 -0.08 0.00 0.69 0.00 0.00 54.13 57.45 1xwe s LEU 1563Cb -0.12 -3.74 -0.16 0.00 -0.43 0.00 0.00 46.19 41.74 1xwe s LEU 1563CO 0.02 -0.59 -0.20 0.18 -0.29 0.00 0.00 176.35 175.47 1xwe n LEU 1564N 0.61 2.40 -3.64 -0.68 4.77 0.40 -3.36 117.00 117.50 1xwe n LEU 1564Ca 0.01 0.15 -0.08 0.00 -0.03 0.00 0.00 56.01 56.06 1xwe n LEU 1564Cb 0.43 -0.89 -0.07 0.00 -2.33 0.00 0.00 43.42 40.55 1xwe n LEU 1564CO 0.57 0.71 0.71 -0.62 -1.33 0.00 0.00 177.39 177.44 1xwe s ASP 1565N -7.03 -0.48 -0.25 -1.43 -1.08 -0.89 -4.39 116.67 101.13 1xwe s ASP 1565Ca -0.35 0.90 -0.10 0.00 -0.52 0.00 0.00 52.55 52.48 1xwe s ASP 1565Cb 0.11 0.95 -0.04 0.00 -1.46 0.00 0.00 42.92 42.48 1xwe s ASP 1565CO 0.57 -0.15 0.14 -0.63 0.52 0.00 0.00 175.17 175.62 1xwe s ILE 1566N 0.40 5.07 -0.47 4.11 1.01 -1.26 -1.51 121.20 128.55 1xwe s ILE 1566Ca 0.01 0.08 0.22 0.00 0.00 0.00 0.00 60.65 60.97 1xwe s ILE 1566Cb -0.05 -3.38 -0.23 0.00 0.01 0.00 0.00 42.46 38.81 1xwe s ILE 1566CO -0.07 0.32 0.78 -1.22 0.00 0.00 0.00 174.94 174.75 1xwe n TYR 1567N 4.62 0.12 -3.34 3.97 4.02 -0.62 -4.84 117.16 121.10 1xwe n TYR 1567Ca -0.15 0.04 -0.06 0.00 -0.01 0.00 0.00 57.90 57.72 1xwe n TYR 1567Cb 0.52 -0.36 -0.07 0.00 -0.02 0.00 0.00 39.34 39.41 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 -3.28 0.40 0.37 -0.72 2.20 -0.74 -4.72 119.74 113.25 1xwe s LYS 1568Ca 0.00 0.71 -0.23 0.00 -0.36 0.00 0.00 55.97 56.08 1xwe s LYS 1568Cb 0.14 -0.15 -0.14 0.00 -1.51 0.00 0.00 37.83 36.17 1xwe s LYS 1568CO 0.86 -0.59 0.43 2.41 -0.36 0.00 0.00 175.35 178.10 1xwe n THR 1569N 5.38 1.47 -3.88 3.43 -1.04 -1.26 -2.11 114.28 116.27 1xwe n THR 1569Ca -0.04 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.12 1xwe n THR 1569Cb 0.50 -0.31 -0.08 0.00 -1.82 0.00 0.00 70.33 68.62 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 -0.95 2.01 0.61 3.41 0.00 -1.26 -4.11 107.32 107.03 1xwe s GLY 1570Ca 0.62 -0.70 0.34 0.00 0.00 0.00 0.00 44.72 44.97 1xwe s GLY 1570CO 0.59 -0.02 2.27 0.83 0.00 0.00 0.00 173.10 176.78 1xwe h GLU 1571N 6.29 0.00 -2.86 2.90 5.08 -1.92 -3.05 114.58 121.02 1xwe h GLU 1571Ca -0.43 0.00 -0.79 0.00 -1.00 0.00 0.00 59.36 57.14 1xwe h GLU 1571Cb 1.17 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.19 1xwe h GLU 1571CO 0.70 0.01 1.35 0.00 -1.00 0.00 0.00 179.01 180.07 1xwe n ALA 1572N -2.25 5.66 -3.19 3.43 0.00 -1.26 -4.85 120.51 118.05 1xwe n ALA 1572Ca -0.03 -4.55 -0.24 0.00 0.00 0.00 0.00 53.44 48.61 1xwe n ALA 1572Cb 0.10 -2.52 0.02 0.00 0.00 0.00 0.00 19.45 17.05 1xwe n ALA 1572CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1xwe n VAL 1573N 1.52 -2.95 -4.72 0.00 3.14 -1.18 -4.83 118.33 109.32 1xwe n VAL 1573Ca 0.39 0.20 -0.33 0.00 -2.96 0.00 0.00 64.34 61.63 1xwe n VAL 1573Cb 0.31 -3.05 -0.14 0.00 -1.06 0.00 0.00 33.84 29.90 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 -1.19 2.69 0.04 1.55 0.00 -1.16 -4.97 121.76 118.72 1xwe s ALA 1574Ca 0.24 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 1xwe s ALA 1574Cb -0.02 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 1xwe s ALA 1574CO 0.54 0.26 -0.04 -1.21 0.00 0.00 0.00 175.76 175.30 1xwe s GLU 1575N 0.31 0.52 0.21 0.00 2.02 -1.26 -4.50 118.70 116.00 1xwe s GLU 1575Ca -0.09 -0.97 -0.32 0.00 0.02 0.00 0.00 54.97 53.61 1xwe s GLU 1575Cb -0.15 0.08 -0.13 0.00 0.10 0.00 0.00 34.13 34.03 1xwe s GLU 1575CO 0.05 -0.06 1.58 1.17 0.02 0.00 0.00 175.26 178.02 1xwe n LYS 1576N 0.76 2.36 -3.81 1.61 4.81 -1.26 -1.83 118.16 120.80 1xwe n LYS 1576Ca -0.18 0.85 -0.29 0.00 -0.87 0.00 0.00 58.31 57.81 1xwe n LYS 1576Cb 0.58 -2.62 -0.03 0.00 0.02 0.00 0.00 35.03 32.99 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 3.12 -2.98 -2.24 3.14 5.68 -1.21 -4.93 116.55 117.12 1xwe n ASP 1577Ca 0.14 -0.69 0.00 0.00 -0.50 0.00 0.00 54.79 53.75 1xwe n ASP 1577Cb 0.32 -2.49 0.00 0.00 -1.14 0.00 0.00 41.12 37.81 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 -2.38 -0.19 -4.36 -1.12 3.41 -0.76 -4.62 113.62 103.61 1xwe n SER 1578Ca 0.05 -0.78 -0.34 0.00 -0.26 0.00 0.00 58.87 57.54 1xwe n SER 1578Cb 0.50 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.31 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 -2.61 3.42 -0.01 4.33 2.12 -1.26 -2.66 118.70 122.03 1xwe s GLU 1579Ca 0.00 -0.64 -0.05 0.00 0.36 0.00 0.00 54.97 54.64 1xwe s GLU 1579Cb 0.00 -2.83 0.00 0.00 0.26 0.00 0.00 34.13 31.56 1xwe s GLU 1579CO 0.00 0.04 0.10 0.96 -0.54 0.00 0.00 175.26 175.83 1xwe s ILE 1580N 0.83 0.07 -0.18 -3.70 -4.36 -1.16 -5.01 121.20 107.67 1xwe s ILE 1580Ca -0.03 -0.54 0.01 0.00 -0.26 0.00 0.00 60.65 59.83 1xwe s ILE 1580Cb -0.15 -0.33 0.03 0.00 1.25 0.00 0.00 42.46 43.27 1xwe s ILE 1580CO 0.01 -0.30 -0.12 -0.89 0.24 0.00 0.00 174.94 173.89 1xwe s THR 1581N -1.00 1.62 -0.26 8.37 2.01 -1.26 -2.29 115.64 122.82 1xwe s THR 1581Ca -0.11 -0.87 -0.17 0.00 0.31 0.00 0.00 61.69 60.85 1xwe s THR 1581Cb -0.06 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 1xwe s THR 1581CO 0.01 0.28 0.48 -0.36 -0.69 0.00 0.00 174.62 174.33 1xwe s PHE 1582N 1.43 3.26 -0.42 4.92 0.40 0.09 -0.98 117.98 126.68 1xwe s PHE 1582Ca 0.01 0.58 -0.15 0.00 -0.60 0.00 0.00 56.93 56.77 1xwe s PHE 1582Cb -0.15 -2.68 0.03 0.00 0.51 0.00 0.00 43.02 40.73 1xwe s PHE 1582CO -0.09 -0.26 0.31 -1.50 0.70 0.00 0.00 175.22 174.38 1xwe s ILE 1583N 2.22 5.26 0.10 0.64 2.07 0.96 -0.28 121.20 132.16 1xwe s ILE 1583Ca 0.20 -0.71 0.03 0.00 -1.41 0.00 0.00 60.65 58.76 1xwe s ILE 1583Cb -0.16 -3.95 -0.04 0.00 0.13 0.00 0.00 42.46 38.44 1xwe s ILE 1583CO 0.09 -0.34 0.13 -0.75 -1.91 0.00 0.00 174.94 172.16 1xwe s LYS 1584N 1.68 3.03 0.24 3.50 2.20 -0.51 -1.41 119.74 128.47 1xwe s LYS 1584Ca 0.05 -0.67 -0.08 0.00 -0.36 0.00 0.00 55.97 54.92 1xwe s LYS 1584Cb -0.20 -2.79 -0.06 0.00 -1.51 0.00 0.00 37.83 33.27 1xwe s LYS 1584CO 0.10 0.56 0.53 0.15 -0.36 0.00 0.00 175.35 176.33 1xwe s LYS 1585N -2.60 3.73 0.20 4.03 1.02 -1.26 -1.55 119.74 123.30 1xwe s LYS 1585Ca 0.31 0.15 0.23 0.00 0.02 0.00 0.00 55.97 56.68 1xwe s LYS 1585Cb -0.12 -2.67 0.16 0.00 -0.52 0.00 0.00 37.83 34.68 1xwe s LYS 1585CO 0.24 0.30 1.20 -0.24 -0.92 0.00 0.00 175.35 175.92 1xwe h VAL 1586N 1.79 0.00 -0.29 3.17 3.04 -1.96 -3.30 116.25 118.70 1xwe h VAL 1586Ca -0.47 -0.81 0.00 0.00 -1.01 0.00 0.00 66.70 64.41 1xwe h VAL 1586Cb 1.17 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 1xwe h VAL 1586CO 0.69 0.00 0.00 1.07 -1.01 0.00 0.00 177.57 178.32 1xwe n THR 1587N -2.51 0.64 -2.74 3.17 5.66 -1.26 -4.91 114.28 112.33 1xwe n THR 1587Ca 0.02 -0.47 -0.36 0.00 -3.05 0.00 0.00 64.05 60.19 1xwe n THR 1587Cb 0.51 0.03 -0.06 0.00 -1.55 0.00 0.00 70.33 69.25 1xwe n THR 1587CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xwe n THR 1589N 0.03 0.00 -3.90 0.00 -1.04 -1.26 -4.61 114.28 103.50 1xwe n THR 1589Ca 0.04 0.96 -0.29 0.00 -2.04 0.00 0.00 64.05 62.72 1xwe n THR 1589Cb 0.51 -1.83 -0.13 0.00 -1.82 0.00 0.00 70.33 67.06 1xwe n THR 1589CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1xwe s ASN 1590N -2.13 4.42 -0.28 8.00 0.02 -1.21 -4.97 114.94 118.79 1xwe s ASN 1590Ca 0.00 -3.36 0.02 0.00 -1.02 0.00 0.00 52.86 48.50 1xwe s ASN 1590Cb 0.00 -1.57 0.16 0.00 0.02 0.00 0.00 41.25 39.87 1xwe s ASN 1590CO 0.00 -0.17 0.44 0.00 0.02 0.00 0.00 177.10 177.40 1xwe s ALA 1591N -0.76 -1.44 0.06 0.60 0.00 -1.20 -1.49 121.76 117.54 1xwe s ALA 1591Ca 0.21 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.69 1xwe s ALA 1591Cb -0.16 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 1xwe s ALA 1591CO -0.08 -1.69 -0.06 -1.21 0.00 0.00 0.00 175.76 172.73 1xwe s GLU 1592N 2.60 0.63 0.22 0.00 2.02 -1.26 -4.97 118.70 117.94 1xwe s GLU 1592Ca 0.11 -1.05 0.02 0.00 0.02 0.00 0.00 54.97 54.06 1xwe s GLU 1592Cb -0.12 -0.08 -0.05 0.00 0.10 0.00 0.00 34.13 33.97 1xwe s GLU 1592CO -0.27 -0.03 0.04 -0.51 0.02 0.00 0.00 175.26 174.51 1xwe s LEU 1593N -2.41 1.94 -0.00 1.80 1.43 -1.26 -5.06 118.68 115.12 1xwe s LEU 1593Ca 0.01 -1.27 0.05 0.00 -1.03 0.00 0.00 54.13 51.89 1xwe s LEU 1593Cb -0.00 -0.06 -0.01 0.00 0.03 0.00 0.00 46.19 46.14 1xwe s LEU 1593CO -0.04 -0.62 -0.15 -0.69 0.23 0.00 0.00 176.35 175.07 1xwe s VAL 1594N -3.65 1.19 0.26 -1.59 1.01 -1.26 -5.13 120.40 111.23 1xwe s VAL 1594Ca 0.30 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 1xwe s VAL 1594Cb 0.07 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.36 1xwe s VAL 1594CO 0.09 0.29 1.02 -0.75 0.00 0.00 0.00 175.10 175.75 1xwe s LYS 1595N -0.46 4.73 -0.81 2.72 2.20 -1.26 -4.11 119.74 122.75 1xwe s LYS 1595Ca 0.05 1.64 -0.04 0.00 -0.36 0.00 0.00 55.97 57.26 1xwe s LYS 1595Cb -0.06 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 1xwe s LYS 1595CO -0.00 0.35 0.72 0.41 -0.36 0.00 0.00 175.35 176.47 1xwe n GLY 1596N 1.30 -0.79 3.52 5.54 0.00 -0.89 -4.98 105.19 108.89 1xwe n GLY 1596Ca -0.01 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 1xwe n GLY 1596CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xwe s ARG 1597N -3.99 0.91 -0.03 1.61 3.52 -1.22 -4.96 118.95 114.80 1xwe s ARG 1597Ca 0.33 0.02 -0.21 0.00 -0.13 0.00 0.00 55.73 55.74 1xwe s ARG 1597Cb -0.04 0.43 -0.05 0.00 -1.56 0.00 0.00 34.95 33.73 1xwe s ARG 1597CO 0.59 -0.33 0.61 -0.65 -0.81 0.00 0.00 175.30 174.72 1xwe s GLN 1598N -1.88 4.35 -0.07 5.12 -0.21 -1.26 -1.17 119.66 124.54 1xwe s GLN 1598Ca -0.04 0.74 -0.03 0.00 0.02 0.00 0.00 55.36 56.06 1xwe s GLN 1598Cb -0.00 -3.38 0.04 0.00 1.00 0.00 0.00 33.01 30.67 1xwe s GLN 1598CO 0.01 0.28 0.15 0.71 -2.12 0.00 0.00 175.29 174.31 1xwe s TYR 1599N 0.11 -0.16 0.27 0.91 2.02 -0.35 -2.22 117.35 117.94 1xwe s TYR 1599Ca 0.32 0.52 -0.29 0.00 -0.37 0.00 0.00 57.07 57.25 1xwe s TYR 1599Cb -0.18 -0.18 -0.09 0.00 -0.40 0.00 0.00 41.96 41.11 1xwe s TYR 1599CO 0.17 -0.21 1.06 -1.17 -1.57 0.00 0.00 175.55 173.83 1xwe s LEU 1600N 1.70 4.56 -0.03 -1.29 2.96 -0.42 -2.15 118.68 124.02 1xwe s LEU 1600Ca -0.03 2.19 -0.00 0.00 -0.22 0.00 0.00 54.13 56.07 1xwe s LEU 1600Cb -0.12 -3.64 0.03 0.00 0.50 0.00 0.00 46.19 42.96 1xwe s LEU 1600CO -0.06 -0.09 0.03 -0.63 -1.32 0.00 0.00 176.35 174.29 1xwe s ILE 1601N -1.18 -0.04 -0.06 6.68 1.01 -0.47 -2.06 121.20 125.08 1xwe s ILE 1601Ca 0.44 0.25 -0.01 0.00 0.00 0.00 0.00 60.65 61.33 1xwe s ILE 1601Cb -0.30 -0.12 0.03 0.00 0.01 0.00 0.00 42.46 42.07 1xwe s ILE 1601CO 0.39 0.12 0.01 -0.04 0.00 0.00 0.00 174.94 175.42 1xwe s MET 1602N 1.33 0.47 0.38 2.79 -1.94 -0.78 -2.19 119.30 119.36 1xwe s MET 1602Ca -0.06 0.16 -0.16 0.00 -1.71 0.00 0.00 55.69 53.92 1xwe s MET 1602Cb -0.13 -0.87 0.06 0.00 2.01 0.00 0.00 34.83 35.90 1xwe s MET 1602CO -0.03 -0.30 0.81 0.20 -0.01 0.00 0.00 175.02 175.69 1xwe s GLY 1603N 1.98 0.39 -0.91 -0.03 0.00 -0.79 -1.18 107.32 106.78 1xwe s GLY 1603Ca 0.04 -0.76 -0.22 0.00 0.00 0.00 0.00 44.72 43.78 1xwe s GLY 1603CO -0.05 -0.15 1.26 1.25 0.00 0.00 0.00 173.10 175.42 1xwe s LYS 1604N -2.18 3.48 0.11 2.90 2.20 -1.25 0.49 119.74 125.49 1xwe s LYS 1604Ca 0.16 -1.18 0.00 0.00 -0.36 0.00 0.00 55.97 54.59 1xwe s LYS 1604Cb -0.05 -4.92 0.00 0.00 -1.51 0.00 0.00 37.83 31.35 1xwe s LYS 1604CO 0.11 -2.01 0.00 -0.85 -0.36 0.00 0.00 175.35 172.25 1xwe n GLU 1605N 8.02 0.00 -2.00 4.03 0.28 -1.26 -4.81 120.64 124.90 1xwe n GLU 1605Ca 0.21 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.21 1xwe n GLU 1605Cb 0.49 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.36 1xwe n GLU 1605CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xwe n ALA 1606N 0.92 0.00 -1.48 -1.84 0.00 -1.26 -4.89 120.51 111.96 1xwe n ALA 1606Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xwe n ALA 1606Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xwe n ALA 1606CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xwe n LEU 1607N 0.00 0.00 -3.13 0.00 4.77 -1.14 -4.97 117.00 112.53 1xwe n LEU 1607Ca -0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1xwe n LEU 1607Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1xwe n LEU 1607CO 0.00 -0.30 0.35 -1.58 -1.33 0.00 0.00 177.39 174.54 1xwe s GLN 1608N -1.23 0.32 0.00 3.23 0.74 -1.26 -3.86 119.66 117.60 1xwe s GLN 1608Ca 0.00 0.25 0.12 0.00 0.05 0.00 0.00 55.36 55.78 1xwe s GLN 1608Cb 0.00 0.13 -0.11 0.00 1.10 0.00 0.00 33.01 34.12 1xwe s GLN 1608CO 0.00 -0.57 0.55 -0.89 -0.55 0.00 0.00 175.29 173.83 1xwe n ILE 1609N 5.09 0.00 -3.14 -2.34 2.08 -1.26 -4.88 119.36 114.90 1xwe n ILE 1609Ca 0.08 -0.23 0.06 0.00 0.56 0.00 0.00 62.75 63.22 1xwe n ILE 1609Cb 0.57 1.02 -0.02 0.00 -0.75 0.00 0.00 39.64 40.46 1xwe n ILE 1609CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1xwe n LYS 1610N -1.13 -0.93 0.00 0.38 5.02 -1.26 -4.77 118.16 115.46 1xwe n LYS 1610Ca 0.03 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1xwe n LYS 1610Cb 0.20 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1xwe n LYS 1610CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1xwe n TYR 1611N -2.45 -0.64 0.10 2.13 9.36 -1.26 -3.91 117.16 120.49 1xwe n TYR 1611Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1xwe n TYR 1611Cb 0.21 0.13 0.00 0.00 -0.63 0.00 0.00 39.34 39.05 1xwe n TYR 1611CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1xwe n ASN 1612N -1.39 -1.76 -0.00 2.98 5.15 -1.26 -4.96 115.26 114.02 1xwe n ASN 1612Ca 0.00 0.53 0.05 0.00 -0.60 0.00 0.00 54.58 54.56 1xwe n ASN 1612Cb 0.00 1.86 -0.07 0.00 -0.53 0.00 0.00 39.78 41.04 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xwe n ALA 1613N -2.91 2.72 -3.42 5.20 0.00 -1.26 -4.93 120.51 115.92 1xwe n ALA 1613Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 53.44 53.05 1xwe n ALA 1613Cb 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 1xwe n ALA 1613CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xwe s SER 1614N -2.66 0.81 1.05 0.00 0.15 -1.26 -5.15 113.70 106.64 1xwe s SER 1614Ca -0.01 -0.02 -0.12 0.00 0.70 0.00 0.00 55.95 56.50 1xwe s SER 1614Cb 0.07 0.76 0.22 0.00 -1.71 0.00 0.00 66.02 65.36 1xwe s SER 1614CO 0.41 -0.32 1.07 -0.36 1.20 0.00 0.00 173.24 175.24 1xwe s PHE 1615N 2.44 1.63 0.00 3.44 0.08 -1.26 -4.22 117.98 120.09 1xwe s PHE 1615Ca 0.10 1.31 0.00 0.00 0.12 0.00 0.00 56.93 58.46 1xwe s PHE 1615Cb -0.15 -3.17 0.00 0.00 -0.57 0.00 0.00 43.02 39.12 1xwe s PHE 1615CO -0.15 -3.32 0.17 0.54 -0.10 0.00 0.00 175.22 172.36 1xwe n ARG 1616N -4.54 0.00 -1.62 0.44 5.12 -1.25 -4.82 116.66 109.99 1xwe n ARG 1616Ca 0.06 0.41 -0.20 0.00 -1.93 0.00 0.00 57.85 56.18 1xwe n ARG 1616Cb 0.54 -1.00 -0.08 0.00 -1.16 0.00 0.00 32.46 30.76 1xwe n ARG 1616CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1xwe n TYR 1617N -1.72 -0.10 -1.71 -1.55 4.01 -1.25 -4.90 117.16 109.94 1xwe n TYR 1617Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1xwe n TYR 1617Cb 0.00 -3.41 -0.03 0.00 -0.31 0.00 0.00 39.34 35.59 1xwe n TYR 1617CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1xwe n ILE 1618N -2.41 0.04 -2.56 -0.72 -5.35 -1.26 -4.20 119.36 102.89 1xwe n ILE 1618Ca -0.20 -0.01 -0.43 0.00 -0.27 0.00 0.00 62.75 61.84 1xwe n ILE 1618Cb 0.66 -1.96 -0.02 0.00 -1.74 0.00 0.00 39.64 36.58 1xwe n ILE 1618CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1xwe s TYR 1619N 1.33 2.77 0.51 4.28 1.51 -0.15 -2.89 117.35 124.71 1xwe s TYR 1619Ca 0.76 0.74 -0.19 0.00 -1.01 0.00 0.00 57.07 57.37 1xwe s TYR 1619Cb -0.52 -4.37 -0.07 0.00 -0.11 0.00 0.00 41.96 36.89 1xwe s TYR 1619CO 0.33 -1.35 1.04 -1.25 -1.11 0.00 0.00 175.55 173.21 1xwe s PRO 1620N 4.48 3.68 -0.51 -1.71 0.04 -1.26 -0.03 135.00 139.70 1xwe s PRO 1620Ca 0.50 1.31 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 1xwe s PRO 1620Cb -0.08 -2.08 0.13 0.00 0.04 0.00 0.00 34.50 32.50 1xwe s PRO 1620CO 0.31 -0.53 0.42 -0.51 0.04 0.00 0.00 177.00 176.73 1xwe s LEU 1621N -3.77 5.94 0.00 -3.56 2.01 -0.50 -4.85 118.68 113.96 1xwe s LEU 1621Ca 0.66 -1.86 0.00 0.00 0.01 0.00 0.00 54.13 52.94 1xwe s LEU 1621Cb -0.16 -2.11 0.00 0.00 0.01 0.00 0.00 46.19 43.93 1xwe s LEU 1621CO 0.25 -0.77 0.00 0.47 1.01 0.00 0.00 176.35 177.31 1xwe n ASP 1622N 5.06 1.70 0.12 2.29 9.92 -1.26 -4.38 116.55 129.99 1xwe n ASP 1622Ca -0.11 -0.33 -0.02 0.00 -0.53 0.00 0.00 54.79 53.81 1xwe n ASP 1622Cb 0.40 0.00 0.20 0.00 -0.64 0.00 0.00 41.12 41.08 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 0.00 0.15 0.00 -2.24 4.64 -1.87 -0.38 113.55 113.84 1xwe h SER 1623Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1xwe h SER 1623Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1xwe h SER 1623CO 0.00 0.64 0.00 0.00 -0.87 0.00 0.00 176.83 176.60 1xwe n LEU 1624N -3.93 0.00 -4.58 5.97 -0.00 -1.26 -4.73 117.00 108.47 1xwe n LEU 1624Ca -0.02 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.59 1xwe n LEU 1624Cb 0.54 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.88 1xwe n LEU 1624CO 0.42 0.00 0.11 -0.89 -0.00 0.00 0.00 177.39 177.03 1xwe s THR 1625N -2.00 5.13 -0.61 1.47 2.01 -1.02 -4.46 115.64 116.16 1xwe s THR 1625Ca 0.01 0.43 -0.21 0.00 0.31 0.00 0.00 61.69 62.22 1xwe s THR 1625Cb 0.00 -3.79 0.08 0.00 0.01 0.00 0.00 72.50 68.79 1xwe s THR 1625CO 0.00 0.01 0.85 0.86 -0.69 0.00 0.00 174.62 175.66 1xwe s TRP 1626N 2.15 2.81 -0.16 4.92 -0.11 -0.33 -4.58 118.94 123.65 1xwe s TRP 1626Ca 0.16 -0.62 -0.03 0.00 1.22 0.00 0.00 56.10 56.82 1xwe s TRP 1626Cb -0.16 -4.12 -0.02 0.00 -1.50 0.00 0.00 33.47 27.67 1xwe s TRP 1626CO 0.11 -1.46 -0.05 0.42 -4.62 0.00 0.00 176.95 171.35 1xwe s ILE 1627N 3.51 3.74 -0.14 5.86 1.01 -1.26 -1.86 121.20 132.07 1xwe s ILE 1627Ca 0.19 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.39 1xwe s ILE 1627Cb -0.19 -2.64 0.07 0.00 0.01 0.00 0.00 42.46 39.71 1xwe s ILE 1627CO 0.10 0.49 0.18 -0.70 0.00 0.00 0.00 174.94 175.01 1xwe s GLU 1628N 0.48 0.10 0.15 2.79 2.12 -0.88 -2.25 118.70 121.22 1xwe s GLU 1628Ca -0.04 0.36 -0.32 0.00 0.36 0.00 0.00 54.97 55.33 1xwe s GLU 1628Cb -0.14 -0.79 -0.12 0.00 0.26 0.00 0.00 34.13 33.33 1xwe s GLU 1628CO 0.03 -0.48 1.74 0.98 -0.54 0.00 0.00 175.26 177.00 1xwe n TYR 1629N 5.32 2.58 -3.78 5.30 9.36 -1.26 -1.30 117.16 133.38 1xwe n TYR 1629Ca -0.05 0.02 -0.36 0.00 3.32 0.00 0.00 57.90 60.82 1xwe n TYR 1629Cb 0.50 -2.67 -0.12 0.00 -0.63 0.00 0.00 39.34 36.42 1xwe n TYR 1629CO 0.00 0.00 0.00 -0.46 0.22 0.00 0.00 176.86 176.62 1xwe s TRP 1630N 1.84 3.58 -0.55 2.98 -0.11 -0.94 -4.80 118.94 120.94 1xwe s TRP 1630Ca 0.79 -2.40 -0.35 0.00 1.22 0.00 0.00 56.10 55.37 1xwe s TRP 1630Cb -0.55 -3.20 -0.15 0.00 -1.50 0.00 0.00 33.47 28.07 1xwe s TRP 1630CO 0.36 -0.97 2.33 -2.30 -4.62 0.00 0.00 176.95 171.75 1xwe n PRO 1631N 4.60 0.58 -0.33 5.86 -0.02 -1.26 -4.42 135.00 140.01 1xwe n PRO 1631Ca -0.03 0.12 0.07 0.00 -2.02 0.00 0.00 63.50 61.65 1xwe n PRO 1631Cb 0.41 -2.15 0.27 0.00 -0.02 0.00 0.00 33.50 32.01 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 12.48 0.91 -6.56 -0.52 3.08 -1.97 -3.42 114.38 118.40 1xwe h ARG 1632Ca -0.18 -0.05 -0.49 0.00 0.07 0.00 0.00 59.98 59.32 1xwe h ARG 1632Cb 1.33 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 31.18 1xwe h ARG 1632CO 1.14 0.60 -0.14 -0.51 -1.07 0.00 0.00 179.97 180.00 1xwe s ASP 1633N -5.80 6.35 0.00 7.04 1.11 -1.26 -5.01 116.67 119.10 1xwe s ASP 1633Ca -0.11 0.61 0.00 0.00 0.18 0.00 0.00 52.55 53.23 1xwe s ASP 1633Cb 0.22 -2.10 0.00 0.00 1.07 0.00 0.00 42.92 42.10 1xwe s ASP 1633CO 0.80 -0.29 0.00 0.35 1.18 0.00 0.00 175.17 177.21 1xwe n THR 1634N -1.50 0.00 0.00 -1.27 -2.24 -1.26 -4.81 114.28 103.20 1xwe n THR 1634Ca -0.03 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1xwe n THR 1634Cb 0.55 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 1xwe n THR 1634CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1xwe n THR 1635N -0.59 0.00 -0.17 4.28 5.66 -1.26 -3.92 114.28 118.28 1xwe n THR 1635Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 1xwe n THR 1635Cb 0.00 0.06 0.02 0.00 -1.55 0.00 0.00 70.33 68.86 1xwe n THR 1635CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xwe n SER 1637N -4.72 3.99 -1.05 0.00 3.41 -1.26 -4.93 113.62 109.06 1xwe n SER 1637Ca 0.03 -2.39 -0.14 0.00 -0.26 0.00 0.00 58.87 56.10 1xwe n SER 1637Cb 0.03 -0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 63.46 1xwe n SER 1637CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xwe n SER 1638N 0.65 -5.67 -4.58 4.04 7.64 -1.00 -4.93 113.62 109.78 1xwe n SER 1638Ca 0.21 0.34 -0.41 0.00 1.01 0.00 0.00 58.87 60.01 1xwe n SER 1638Cb 0.73 -4.39 -0.07 0.00 -1.01 0.00 0.00 64.21 59.48 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xwe n GLN 1640N 5.87 2.67 -0.17 0.00 7.27 -1.26 -4.19 117.38 127.58 1xwe n GLN 1640Ca -0.02 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.00 1xwe n GLN 1640Cb 0.49 -0.25 0.05 0.00 2.41 0.00 0.00 30.24 32.94 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xwe h ALA 1641N 0.00 0.64 0.00 1.69 0.00 -1.94 0.61 119.26 120.26 1xwe h ALA 1641Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1xwe h ALA 1641Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1xwe h ALA 1641CO 0.00 -0.10 -0.57 0.35 0.00 0.00 0.00 179.25 178.93 1xwe h PHE 1642N 0.49 0.00 -0.00 0.00 3.57 -1.96 -3.06 116.94 115.98 1xwe h PHE 1642Ca 0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1xwe h PHE 1642Cb 0.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1xwe h PHE 1642CO -0.10 0.57 -0.01 1.28 -2.23 0.00 0.00 178.31 177.81 1xwe n LEU 1643N -3.33 0.38 0.09 0.59 4.77 -0.72 -3.49 117.00 115.29 1xwe n LEU 1643Ca 0.01 -0.09 -0.21 0.00 -0.03 0.00 0.00 56.01 55.69 1xwe n LEU 1643Cb 0.72 -0.03 -0.15 0.00 -2.33 0.00 0.00 43.42 41.63 1xwe n LEU 1643CO 0.41 0.06 -0.35 0.00 -1.33 0.00 0.00 177.39 176.18 1xwe h ALA 1644N 4.01 0.11 0.00 -1.18 0.00 -0.80 -3.18 119.26 118.22 1xwe h ALA 1644Ca 0.00 -1.04 -0.16 0.00 0.00 0.00 0.00 54.91 53.72 1xwe h ALA 1644Cb 0.16 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1xwe h ALA 1644CO 0.00 0.98 -0.74 -0.91 0.00 0.00 0.00 179.25 178.58 1xwe h ASN 1645N 0.10 0.00 -0.02 0.00 2.35 -1.71 -3.21 115.58 113.10 1xwe h ASN 1645Ca -0.27 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.38 1xwe h ASN 1645Cb 2.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.43 1xwe h ASN 1645CO 0.20 0.74 -0.31 -0.07 -1.65 0.00 0.00 177.43 176.34 1xwe h LEU 1646N 0.00 0.48 -0.77 1.61 3.38 -1.66 -2.95 115.31 115.40 1xwe h LEU 1646Ca -0.01 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1xwe h LEU 1646Cb 1.47 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 42.04 1xwe h LEU 1646CO 0.10 0.77 0.49 -0.78 0.09 0.00 0.00 178.44 179.11 1xwe h ASP 1647N 0.41 0.82 -0.80 -0.43 3.58 -1.55 -1.97 116.42 116.48 1xwe h ASP 1647Ca 0.05 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1xwe h ASP 1647Cb 0.75 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.57 1xwe h ASP 1647CO 0.06 0.57 0.45 -0.33 -2.88 0.00 0.00 179.24 177.10 1xwe h GLU 1648N 0.97 1.11 -0.44 0.28 4.39 -1.62 -2.25 114.58 117.01 1xwe h GLU 1648Ca 0.31 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 1xwe h GLU 1648Cb -0.00 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 1xwe h GLU 1648CO -0.11 0.81 0.18 0.35 -1.16 0.00 0.00 179.01 179.08 1xwe h PHE 1649N 1.10 0.62 -0.20 4.33 3.57 -1.30 0.45 116.94 125.52 1xwe h PHE 1649Ca 0.28 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.77 1xwe h PHE 1649Cb 0.02 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1xwe h PHE 1649CO 0.00 0.49 0.12 0.00 -2.23 0.00 0.00 178.31 176.69 1xwe h ALA 1650N 1.58 0.25 -0.01 2.41 0.00 -0.77 -2.19 119.26 120.53 1xwe h ALA 1650Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xwe h ALA 1650Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xwe h ALA 1650CO -0.02 -0.29 -0.14 -1.91 0.00 0.00 0.00 179.25 176.90 1xwe n GLU 1651N -4.97 0.96 0.00 0.00 2.13 -1.07 -3.61 120.64 114.08 1xwe n GLU 1651Ca -0.03 -0.47 0.00 0.00 0.66 0.00 0.00 57.16 57.32 1xwe n GLU 1651Cb 0.04 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.26 1xwe n GLU 1651CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1xwe n ASP 1652N -0.61 0.00 0.11 4.31 -0.08 0.13 -2.27 116.55 118.14 1xwe n ASP 1652Ca 0.15 0.27 0.19 0.00 -1.51 0.00 0.00 54.79 53.89 1xwe n ASP 1652Cb 0.31 -0.31 0.76 0.00 2.34 0.00 0.00 41.12 44.22 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 0.50 0.02 5.18 6.09 -1.66 0.98 117.51 128.62 1xwe h ILE 1653Ca 0.00 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1xwe h ILE 1653Cb 0.00 0.74 0.00 0.00 0.47 0.00 0.00 36.82 38.03 1xwe h ILE 1653CO 0.00 0.00 -0.01 0.15 -3.07 0.00 0.00 178.15 175.22 1xwe h PHE 1654N 0.00 -0.03 0.00 2.19 3.57 -1.73 -3.34 116.94 117.60 1xwe h PHE 1654Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1xwe h PHE 1654Cb 0.85 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.60 1xwe h PHE 1654CO 0.00 0.68 -0.32 -0.11 -2.23 0.00 0.00 178.31 176.34 1xwe n LEU 1655N -4.74 0.91 0.00 0.59 7.94 -0.74 -4.76 117.00 116.20 1xwe n LEU 1655Ca -0.09 0.36 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 1xwe n LEU 1655Cb 0.36 -0.67 0.00 0.00 0.53 0.00 0.00 43.42 43.64 1xwe n LEU 1655CO 0.31 -0.46 0.38 0.59 -1.11 0.00 0.00 177.39 177.09 1xwe n ASN 1656N -3.43 0.00 -0.85 1.96 5.03 0.32 -5.02 115.26 113.27 1xwe n ASN 1656Ca -0.04 0.75 0.00 0.00 0.87 0.00 0.00 54.58 56.16 1xwe n ASN 1656Cb 0.16 -0.25 0.00 0.00 -1.02 0.00 0.00 39.78 38.67 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 -0.81 -3.88 0.00 7.41 0.00 0.01 -4.96 105.19 102.96 1xwe n GLY 1657Ca 0.00 -0.90 0.03 0.00 0.00 0.00 0.00 46.02 45.14 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32