#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 0.23 -3.55 1.61 2.88 -1.26 -4.98 113.62 108.55 1xwe n SER 1509Ca 0.00 -0.60 -0.13 0.00 -1.33 0.00 0.00 58.87 56.81 1xwe n SER 1509Cb 0.00 0.71 -0.12 0.00 -0.75 0.00 0.00 64.21 64.06 1xwe n SER 1509CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1xwe s HIS 1510N -0.71 -0.50 0.00 0.66 2.46 -1.26 -4.99 115.29 110.94 1xwe s HIS 1510Ca 0.00 0.78 0.00 0.00 0.47 0.00 0.00 55.06 56.31 1xwe s HIS 1510Cb 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 32.58 32.36 1xwe s HIS 1510CO 0.00 -0.51 0.00 0.00 -2.47 0.00 0.00 174.74 171.76 1xwe n MET 1511N 5.35 0.40 -3.82 2.88 -0.00 -1.26 -5.10 117.12 115.56 1xwe n MET 1511Ca -0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.70 57.52 1xwe n MET 1511Cb 0.50 -0.60 -0.12 0.00 -0.00 0.00 0.00 33.22 33.00 1xwe n MET 1511CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xwe s ALA 1512N -1.21 -0.43 -0.48 3.17 0.00 -1.26 -5.04 121.76 116.52 1xwe s ALA 1512Ca 0.00 0.37 0.24 0.00 0.00 0.00 0.00 51.96 52.57 1xwe s ALA 1512Cb 0.00 -0.21 0.28 0.00 0.00 0.00 0.00 23.12 23.19 1xwe s ALA 1512CO 0.00 -0.11 1.33 0.38 0.00 0.00 0.00 175.76 177.36 1xwe h ASP 1513N 5.50 0.00 0.00 0.00 2.03 -1.96 -3.34 116.42 118.65 1xwe h ASP 1513Ca -0.26 -0.08 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 1xwe h ASP 1513Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 1xwe h ASP 1513CO 0.40 0.04 0.00 0.00 -1.03 0.00 0.00 179.24 178.65 1xwe n GLY 1515N 0.00 1.02 3.64 0.00 0.00 -1.26 -3.67 105.19 104.91 1xwe n GLY 1515Ca 0.00 -0.72 -0.52 0.00 0.00 0.00 0.00 46.02 44.78 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 7.87 1.35 -4.39 1.61 7.27 -0.88 -4.49 117.38 125.72 1xwe n GLN 1516Ca 0.46 0.49 -0.21 0.00 0.07 0.00 0.00 57.00 57.81 1xwe n GLN 1516Cb 0.44 -2.17 -0.16 0.00 2.41 0.00 0.00 30.24 30.77 1xwe n GLN 1516CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 1xwe s MET 1517N 1.52 1.00 1.20 3.69 -1.94 -1.26 -4.65 119.30 118.86 1xwe s MET 1517Ca 0.88 -0.30 -0.17 0.00 -1.71 0.00 0.00 55.69 54.40 1xwe s MET 1517Cb -0.93 -0.93 0.28 0.00 2.01 0.00 0.00 34.83 35.26 1xwe s MET 1517CO 0.51 0.09 1.04 -0.65 -0.01 0.00 0.00 175.02 176.00 1xwe s GLN 1518N 0.29 -1.16 0.98 2.03 1.11 -1.16 -4.99 119.66 116.75 1xwe s GLN 1518Ca -0.05 0.35 -0.16 0.00 0.01 0.00 0.00 55.36 55.51 1xwe s GLN 1518Cb -0.10 -1.57 0.25 0.00 -1.01 0.00 0.00 33.01 30.58 1xwe s GLN 1518CO 0.01 -3.76 0.81 0.39 0.01 0.00 0.00 175.29 172.75 1xwe n GLU 1519N -4.87 -2.96 0.00 2.91 1.02 -1.26 -4.74 120.64 110.74 1xwe n GLU 1519Ca 0.08 -1.30 0.00 0.00 -0.02 0.00 0.00 57.16 55.92 1xwe n GLU 1519Cb 0.58 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 1xwe n GLU 1519CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xwe n GLU 1520N -4.24 0.00 -0.42 3.49 4.71 -1.26 -4.06 120.64 118.86 1xwe n GLU 1520Ca 0.11 0.08 -0.08 0.00 -0.01 0.00 0.00 57.16 57.26 1xwe n GLU 1520Cb 0.45 -0.40 0.05 0.00 -1.01 0.00 0.00 31.44 30.53 1xwe n GLU 1520CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1xwe n LEU 1521N -1.38 4.40 -4.57 -4.62 4.77 -1.26 -4.61 117.00 109.73 1xwe n LEU 1521Ca 0.00 -2.25 -0.41 0.00 -0.03 0.00 0.00 56.01 53.32 1xwe n LEU 1521Cb 0.00 -0.67 -0.04 0.00 -2.33 0.00 0.00 43.42 40.38 1xwe n LEU 1521CO 0.00 0.73 1.93 -0.67 -1.33 0.00 0.00 177.39 178.05 1xwe n ASP 1522N 0.12 2.75 -4.25 -1.43 2.03 -1.26 -4.91 116.55 109.60 1xwe n ASP 1522Ca 0.18 -0.06 -0.43 0.00 0.52 0.00 0.00 54.79 55.00 1xwe n ASP 1522Cb 0.81 -1.53 -0.06 0.00 -0.72 0.00 0.00 41.12 39.61 1xwe n ASP 1522CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1xwe s LEU 1523N 9.79 6.02 0.00 -2.67 1.43 -1.26 -4.49 118.68 127.50 1xwe s LEU 1523Ca 1.01 -2.23 0.00 0.00 -1.03 0.00 0.00 54.13 51.89 1xwe s LEU 1523Cb -0.33 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.80 1xwe s LEU 1523CO 0.33 -0.65 0.00 1.07 0.23 0.00 0.00 176.35 177.33 1xwe n THR 1524N 4.54 0.00 -2.92 5.49 5.66 -1.26 -5.13 114.28 120.65 1xwe n THR 1524Ca -0.01 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.59 1xwe n THR 1524Cb 0.42 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.14 1xwe n THR 1524CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1xwe s ILE 1525N 0.00 4.44 0.70 1.09 1.01 -1.26 -5.06 121.20 122.12 1xwe s ILE 1525Ca 0.00 1.78 -0.10 0.00 0.00 0.00 0.00 60.65 62.33 1xwe s ILE 1525Cb 0.00 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.32 1xwe s ILE 1525CO 0.00 0.45 1.07 -0.55 0.00 0.00 0.00 174.94 175.91 1xwe s SER 1526N -0.71 5.26 0.35 3.58 0.15 -1.26 -4.98 113.70 116.09 1xwe s SER 1526Ca 0.39 0.93 0.25 0.00 0.70 0.00 0.00 55.95 58.22 1xwe s SER 1526Cb -0.23 -1.70 0.64 0.00 -1.71 0.00 0.00 66.02 63.02 1xwe s SER 1526CO 0.27 -1.41 1.71 0.00 1.20 0.00 0.00 173.24 175.01 1xwe h ALA 1527N -0.63 1.00 0.00 5.45 0.00 -1.97 -3.00 119.26 120.11 1xwe h ALA 1527Ca -0.45 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.18 1xwe h ALA 1527Cb 1.27 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1xwe h ALA 1527CO 0.63 0.00 -1.52 0.39 0.00 0.00 0.00 179.25 178.75 1xwe n GLU 1528N -2.72 0.57 -0.06 0.00 1.02 -1.26 -3.60 120.64 114.60 1xwe n GLU 1528Ca 0.04 0.51 0.10 0.00 -0.02 0.00 0.00 57.16 57.79 1xwe n GLU 1528Cb 0.46 -1.69 0.48 0.00 -0.02 0.00 0.00 31.44 30.66 1xwe n GLU 1528CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1xwe h THR 1529N -1.00 0.95 0.00 2.62 2.02 -1.97 0.74 112.91 116.27 1xwe h THR 1529Ca -0.42 -0.15 -0.09 0.00 0.77 0.00 0.00 66.41 66.51 1xwe h THR 1529Cb 1.36 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1xwe h THR 1529CO -0.25 0.08 -0.45 -0.09 0.37 0.00 0.00 175.52 175.18 1xwe h ARG 1530N 0.45 0.00 0.02 6.66 2.43 -1.71 -3.14 114.38 119.10 1xwe h ARG 1530Ca 0.24 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.17 1xwe h ARG 1530Cb 0.37 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1xwe h ARG 1530CO -0.06 0.45 -1.21 -0.22 -1.51 0.00 0.00 179.97 177.41 1xwe h LYS 1531N 0.00 0.05 0.00 0.20 3.11 -1.00 -3.24 116.57 115.69 1xwe h LYS 1531Ca -0.00 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 1xwe h LYS 1531Cb 1.08 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.34 1xwe h LYS 1531CO 0.06 0.94 0.10 1.96 -2.81 0.00 0.00 179.45 179.69 1xwe h GLN 1532N 0.01 0.00 0.09 1.90 4.20 -0.97 0.43 115.11 120.77 1xwe h GLN 1532Ca -0.10 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.29 1xwe h GLN 1532Cb 1.86 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.62 1xwe h GLN 1532CO 0.13 0.00 -1.72 1.15 -0.67 0.00 0.00 178.83 177.72 1xwe h THR 1533N 0.00 0.91 -0.00 -0.54 2.02 -1.67 -2.12 112.91 111.51 1xwe h THR 1533Ca 0.00 -2.63 0.00 0.00 0.77 0.00 0.00 66.41 64.55 1xwe h THR 1533Cb 0.20 2.60 -0.00 0.00 -1.74 0.00 0.00 68.15 69.20 1xwe h THR 1533CO 0.00 0.76 0.00 0.00 0.37 0.00 0.00 175.52 176.65 1xwe h ALA 1534N 0.49 1.58 -0.06 6.16 0.00 -1.03 -1.46 119.26 124.95 1xwe h ALA 1534Ca -0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1xwe h ALA 1534Cb 2.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1xwe h ALA 1534CO 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1xwe s LYS 1536N -0.66 3.93 0.20 0.00 2.20 -0.55 -4.91 119.74 119.94 1xwe s LYS 1536Ca 0.06 2.41 -0.13 0.00 -0.36 0.00 0.00 55.97 57.95 1xwe s LYS 1536Cb 0.04 -2.81 0.22 0.00 -1.51 0.00 0.00 37.83 33.77 1xwe s LYS 1536CO 0.05 -0.62 1.67 -1.35 -0.36 0.00 0.00 175.35 174.74 1xwe h PRO 1537N 2.69 0.09 0.00 4.03 0.11 -1.88 0.21 132.00 137.25 1xwe h PRO 1537Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xwe h PRO 1537Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xwe h PRO 1537CO 0.63 0.06 0.00 -0.85 -0.21 0.00 0.00 178.00 177.63 1xwe n GLU 1538N -5.27 0.16 -4.67 1.05 0.28 -1.26 -4.56 120.64 106.37 1xwe n GLU 1538Ca 0.07 0.18 -0.33 0.00 -0.16 0.00 0.00 57.16 56.91 1xwe n GLU 1538Cb 0.30 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.53 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 -2.58 3.18 -0.11 3.84 1.09 0.73 -2.30 121.20 125.04 1xwe s ILE 1539Ca 0.11 -0.61 -0.09 0.00 -1.10 0.00 0.00 60.65 58.96 1xwe s ILE 1539Cb 0.08 -2.35 -0.03 0.00 -1.06 0.00 0.00 42.46 39.10 1xwe s ILE 1539CO 0.18 0.51 -0.18 0.00 -0.10 0.00 0.00 174.94 175.35 1xwe n ALA 1540N 3.60 0.46 -2.90 9.38 0.00 0.12 -4.47 120.51 126.71 1xwe n ALA 1540Ca -0.18 -0.49 -0.22 0.00 0.00 0.00 0.00 53.44 52.55 1xwe n ALA 1540Cb 0.53 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1xwe n ALA 1540CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1xwe s TYR 1541N -2.08 3.29 -0.35 0.00 -0.85 -0.67 -4.68 117.35 112.01 1xwe s TYR 1541Ca -0.15 -0.06 0.03 0.00 -0.52 0.00 0.00 57.07 56.37 1xwe s TYR 1541Cb 0.02 -1.49 0.15 0.00 0.38 0.00 0.00 41.96 41.02 1xwe s TYR 1541CO 0.22 0.48 0.39 0.00 -1.52 0.00 0.00 175.55 175.12 1xwe s ALA 1542N -2.04 -0.71 0.28 9.51 0.00 -0.80 -2.05 121.76 125.95 1xwe s ALA 1542Ca 0.33 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.75 1xwe s ALA 1542Cb -0.09 -2.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.96 1xwe s ALA 1542CO 0.27 -2.01 0.29 2.48 0.00 0.00 0.00 175.76 176.80 1xwe n TYR 1543N 4.63 -0.88 -5.21 0.00 0.18 -0.78 -0.39 117.16 114.71 1xwe n TYR 1543Ca 0.07 -2.16 -0.32 0.00 1.88 0.00 0.00 57.90 57.38 1xwe n TYR 1543Cb 0.47 0.32 -0.17 0.00 -0.38 0.00 0.00 39.34 39.58 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 -2.94 2.86 0.24 -3.48 2.20 -0.77 -1.81 119.74 116.05 1xwe s LYS 1544Ca 0.29 -0.87 0.02 0.00 -0.36 0.00 0.00 55.97 55.05 1xwe s LYS 1544Cb 0.01 -2.23 -0.01 0.00 -1.51 0.00 0.00 37.83 34.09 1xwe s LYS 1544CO 0.21 0.23 0.08 1.33 -0.36 0.00 0.00 175.35 176.84 1xwe n VAL 1545N 3.37 0.00 -3.72 4.02 0.24 -0.90 -0.96 118.33 120.38 1xwe n VAL 1545Ca -0.19 -1.39 -0.12 0.00 -2.04 0.00 0.00 64.34 60.60 1xwe n VAL 1545Cb 0.53 0.48 -0.10 0.00 -1.47 0.00 0.00 33.84 33.28 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 -2.48 -0.47 0.02 -1.34 0.15 -0.35 -1.99 113.70 107.24 1xwe s SER 1546Ca 0.11 0.86 -0.30 0.00 0.70 0.00 0.00 55.95 57.32 1xwe s SER 1546Cb 0.01 0.82 -0.05 0.00 -1.71 0.00 0.00 66.02 65.08 1xwe s SER 1546CO 0.08 -0.16 1.29 -0.63 1.20 0.00 0.00 173.24 175.01 1xwe s ILE 1547N 0.68 3.89 -0.01 6.45 -1.09 -0.70 -1.19 121.20 129.23 1xwe s ILE 1547Ca -0.04 1.31 0.01 0.00 -2.23 0.00 0.00 60.65 59.70 1xwe s ILE 1547Cb -0.05 -3.84 -0.02 0.00 -1.58 0.00 0.00 42.46 36.97 1xwe s ILE 1547CO -0.05 0.04 0.01 0.35 -1.23 0.00 0.00 174.94 174.06 1xwe n THR 1548N 4.34 0.09 -3.99 2.92 -2.24 -0.81 -1.46 114.28 113.13 1xwe n THR 1548Ca 0.11 -0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.75 1xwe n THR 1548Cb 0.45 -0.80 -0.10 0.00 -2.10 0.00 0.00 70.33 67.78 1xwe n THR 1548CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xwe s SER 1549N -3.06 0.29 -0.12 3.42 0.15 -0.71 -4.80 113.70 108.87 1xwe s SER 1549Ca -0.01 -0.66 -0.04 0.00 0.70 0.00 0.00 55.95 55.94 1xwe s SER 1549Cb 0.00 0.18 0.06 0.00 -1.71 0.00 0.00 66.02 64.56 1xwe s SER 1549CO 0.06 -0.47 0.16 -0.63 1.20 0.00 0.00 173.24 173.55 1xwe s ILE 1550N -2.66 -0.24 -0.22 6.45 1.01 -1.26 -1.69 121.20 122.58 1xwe s ILE 1550Ca -0.05 0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.72 1xwe s ILE 1550Cb -0.01 -0.42 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 1xwe s ILE 1550CO -0.05 0.01 0.02 -0.89 0.00 0.00 0.00 174.94 174.03 1xwe s THR 1551N 2.27 4.01 -0.18 2.92 2.01 -0.88 -5.03 115.64 120.76 1xwe s THR 1551Ca 0.04 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 1xwe s THR 1551Cb -0.13 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.52 1xwe s THR 1551CO -0.08 0.39 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.48 1xwe s VAL 1552N 1.33 3.29 0.00 3.82 1.01 -1.26 -0.83 120.40 127.77 1xwe s VAL 1552Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1xwe s VAL 1552Cb -0.15 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1xwe s VAL 1552CO 0.02 0.47 0.00 -0.62 0.00 0.00 0.00 175.10 174.96 1xwe n GLU 1553N 4.23 0.00 0.00 2.72 -0.58 -1.26 -5.04 120.64 120.72 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 0.52 -0.01 0.00 0.00 -0.57 0.00 0.00 31.44 31.37 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 -1.45 0.00 -0.11 1.62 3.02 -1.26 -5.01 115.26 112.07 1xwe n ASN 1554Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.39 1xwe n ASN 1554Cb 0.00 0.14 -0.10 0.00 -0.61 0.00 0.00 39.78 39.21 1xwe n ASN 1554CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1xwe n VAL 1555N -2.11 1.31 -3.54 2.41 0.31 -1.26 -4.85 118.33 110.60 1xwe n VAL 1555Ca 0.00 -0.49 -0.39 0.00 -0.01 0.00 0.00 64.34 63.44 1xwe n VAL 1555Cb 0.00 -1.33 -0.11 0.00 -0.91 0.00 0.00 33.84 31.49 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 -2.45 3.22 -0.16 3.52 0.08 -1.26 -1.74 117.98 119.20 1xwe s PHE 1556Ca -0.31 -0.04 -0.07 0.00 0.12 0.00 0.00 56.93 56.63 1xwe s PHE 1556Cb 0.08 -2.46 -0.04 0.00 -0.57 0.00 0.00 43.02 40.03 1xwe s PHE 1556CO 0.52 -0.28 0.10 0.08 -0.10 0.00 0.00 175.22 175.54 1xwe s VAL 1557N 1.78 5.17 0.13 -0.44 1.01 -0.74 -4.00 120.40 123.31 1xwe s VAL 1557Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1xwe s VAL 1557Cb -0.17 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1xwe s VAL 1557CO 0.11 0.52 0.29 -0.54 0.00 0.00 0.00 175.10 175.48 1xwe s LYS 1558N -0.24 3.47 -0.13 2.72 3.01 -0.01 -2.04 119.74 126.52 1xwe s LYS 1558Ca 0.10 -0.46 -0.04 0.00 -1.01 0.00 0.00 55.97 54.56 1xwe s LYS 1558Cb -0.12 -2.95 0.05 0.00 -1.01 0.00 0.00 37.83 33.80 1xwe s LYS 1558CO 0.01 0.52 0.08 0.71 0.51 0.00 0.00 175.35 177.18 1xwe s TYR 1559N -1.70 0.15 -0.29 3.18 2.02 0.65 -2.08 117.35 119.28 1xwe s TYR 1559Ca 0.36 -0.12 -0.17 0.00 -0.37 0.00 0.00 57.07 56.77 1xwe s TYR 1559Cb -0.12 -0.62 -0.02 0.00 -0.40 0.00 0.00 41.96 40.80 1xwe s TYR 1559CO 0.28 -0.41 0.45 0.15 -1.57 0.00 0.00 175.55 174.45 1xwe s LYS 1560N 2.15 3.90 0.06 -0.62 -0.14 -0.68 -1.15 119.74 123.26 1xwe s LYS 1560Ca 0.03 0.03 0.05 0.00 -1.36 0.00 0.00 55.97 54.72 1xwe s LYS 1560Cb -0.15 -3.70 -0.03 0.00 -1.68 0.00 0.00 37.83 32.27 1xwe s LYS 1560CO -0.07 -0.41 -0.14 0.00 -0.76 0.00 0.00 175.35 173.97 1xwe s ALA 1561N 2.21 1.15 -0.13 5.17 0.00 -0.98 -1.73 121.76 127.46 1xwe s ALA 1561Ca 0.17 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 51.10 1xwe s ALA 1561Cb -0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1xwe s ALA 1561CO 0.11 0.17 0.17 0.99 0.00 0.00 0.00 175.76 177.19 1xwe s THR 1562N -1.18 5.44 -0.70 0.00 2.01 -0.33 -2.92 115.64 117.96 1xwe s THR 1562Ca -0.02 0.27 -0.27 0.00 0.31 0.00 0.00 61.69 61.99 1xwe s THR 1562Cb -0.10 -3.45 0.03 0.00 0.01 0.00 0.00 72.50 69.00 1xwe s THR 1562CO 0.02 0.57 1.22 -0.22 -0.69 0.00 0.00 174.62 175.53 1xwe s LEU 1563N -0.71 3.36 0.19 4.42 2.96 -1.17 -1.21 118.68 126.52 1xwe s LEU 1563Ca 0.15 -0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 53.51 1xwe s LEU 1563Cb -0.12 -2.64 0.12 0.00 0.50 0.00 0.00 46.19 44.05 1xwe s LEU 1563CO 0.04 -1.73 1.85 -0.07 -1.32 0.00 0.00 176.35 175.12 1xwe h LEU 1564N 12.63 0.78 -7.00 -0.68 -0.00 -1.36 -0.42 115.31 119.26 1xwe h LEU 1564Ca -0.28 -0.04 0.10 0.00 -0.00 0.00 0.00 57.88 57.66 1xwe h LEU 1564Cb 1.05 -0.20 -0.16 0.00 -0.00 0.00 0.00 40.66 41.36 1xwe h LEU 1564CO 1.25 0.59 0.48 -0.62 -0.00 0.00 0.00 178.44 180.14 1xwe s ASP 1565N -5.85 -0.38 -0.14 -0.43 -1.08 -1.00 -4.45 116.67 103.34 1xwe s ASP 1565Ca -0.13 0.06 -0.03 0.00 -0.52 0.00 0.00 52.55 51.94 1xwe s ASP 1565Cb 0.14 0.39 -0.03 0.00 -1.46 0.00 0.00 42.92 41.96 1xwe s ASP 1565CO 0.77 -0.60 -0.05 -0.63 0.52 0.00 0.00 175.17 175.17 1xwe s ILE 1566N -2.87 3.75 -0.28 4.11 1.01 -1.26 -1.85 121.20 123.82 1xwe s ILE 1566Ca 0.04 -0.41 0.15 0.00 0.00 0.00 0.00 60.65 60.42 1xwe s ILE 1566Cb -0.01 -2.62 -0.20 0.00 0.01 0.00 0.00 42.46 39.64 1xwe s ILE 1566CO -0.07 0.51 0.44 -1.22 0.00 0.00 0.00 174.94 174.59 1xwe n TYR 1567N 3.36 0.00 -3.20 3.97 4.01 -0.49 -4.90 117.16 119.91 1xwe n TYR 1567Ca -0.18 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.58 1xwe n TYR 1567Cb 0.53 -0.21 -0.02 0.00 -0.31 0.00 0.00 39.34 39.32 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 -2.77 0.53 0.41 -0.72 2.36 0.47 -4.77 119.74 115.25 1xwe s LYS 1568Ca -0.01 0.93 -0.21 0.00 -2.55 0.00 0.00 55.97 54.12 1xwe s LYS 1568Cb 0.10 0.36 -0.14 0.00 -1.05 0.00 0.00 37.83 37.10 1xwe s LYS 1568CO 0.61 -0.61 0.24 2.41 1.55 0.00 0.00 175.35 179.55 1xwe n THR 1569N 5.42 1.06 -4.10 3.43 -1.04 -1.26 -1.91 114.28 115.88 1xwe n THR 1569Ca -0.02 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.14 1xwe n THR 1569Cb 0.51 -0.19 -0.09 0.00 -1.82 0.00 0.00 70.33 68.75 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 -0.99 1.96 0.42 3.41 0.00 -1.26 -4.20 107.32 106.66 1xwe s GLY 1570Ca 0.61 -0.74 0.19 0.00 0.00 0.00 0.00 44.72 44.78 1xwe s GLY 1570CO 0.61 -0.29 1.89 0.83 0.00 0.00 0.00 173.10 176.14 1xwe h GLU 1571N 5.65 0.00 -1.81 2.90 5.08 -1.93 -2.93 114.58 121.55 1xwe h GLU 1571Ca -0.47 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.59 1xwe h GLU 1571Cb 1.19 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.33 1xwe h GLU 1571CO 0.61 0.28 0.22 0.00 -1.00 0.00 0.00 179.01 179.12 1xwe n ALA 1572N -2.38 5.52 -2.82 3.43 0.00 -1.26 -4.83 120.51 118.18 1xwe n ALA 1572Ca -0.02 -1.83 -0.03 0.00 0.00 0.00 0.00 53.44 51.57 1xwe n ALA 1572Cb 0.36 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 1.00-10.64 -4.50 0.00 0.31 -1.12 -4.87 118.33 98.51 1xwe n VAL 1573Ca 0.33 1.49 -0.33 0.00 -0.01 0.00 0.00 64.34 65.82 1xwe n VAL 1573Cb 0.61 -6.51 -0.16 0.00 -0.91 0.00 0.00 33.84 26.87 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 -1.75 2.37 0.06 3.52 0.00 -1.13 -4.94 121.76 119.89 1xwe s ALA 1574Ca 0.06 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1xwe s ALA 1574Cb -0.01 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 1xwe s ALA 1574CO 0.71 -0.10 -0.11 -1.21 0.00 0.00 0.00 175.76 175.05 1xwe s GLU 1575N 0.92 0.67 -0.08 0.00 0.41 -1.26 -4.40 118.70 114.96 1xwe s GLU 1575Ca -0.04 -0.88 -0.35 0.00 -0.41 0.00 0.00 54.97 53.29 1xwe s GLU 1575Cb -0.15 -0.52 -0.13 0.00 -1.78 0.00 0.00 34.13 31.55 1xwe s GLU 1575CO -0.03 0.10 1.78 1.63 -0.49 0.00 0.00 175.26 178.25 1xwe n LYS 1576N 1.29 1.91 -3.11 1.61 5.02 -1.26 -2.58 118.16 121.04 1xwe n LYS 1576Ca -0.21 0.70 -0.06 0.00 -2.02 0.00 0.00 58.31 56.72 1xwe n LYS 1576Cb 0.55 -2.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.09 1xwe n LYS 1576CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xwe n ASP 1577N 5.69 -7.30 -1.44 4.39 2.03 -0.17 -5.04 116.55 114.70 1xwe n ASP 1577Ca 0.22 -0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1xwe n ASP 1577Cb 0.25 -5.23 0.00 0.00 -0.72 0.00 0.00 41.12 35.43 1xwe n ASP 1577CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1xwe n SER 1578N -2.32 0.95 -4.01 1.67 3.41 -1.07 -4.85 113.62 107.40 1xwe n SER 1578Ca -0.03 -0.72 -0.30 0.00 -0.26 0.00 0.00 58.87 57.56 1xwe n SER 1578Cb 0.55 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.87 2.20 -0.00 4.33 2.56 -1.26 -3.02 118.70 122.64 1xwe s GLU 1579Ca 0.00 -0.73 0.05 0.00 0.00 0.00 0.00 54.97 54.30 1xwe s GLU 1579Cb 0.00 -2.30 -0.01 0.00 2.00 0.00 0.00 34.13 33.82 1xwe s GLU 1579CO 0.00 -0.33 -0.17 0.96 -0.56 0.00 0.00 175.26 175.16 1xwe s ILE 1580N 1.42 1.31 -0.04 -3.70 -4.36 -1.15 -5.06 121.20 109.63 1xwe s ILE 1580Ca 0.02 -0.78 0.05 0.00 -0.26 0.00 0.00 60.65 59.68 1xwe s ILE 1580Cb -0.15 -1.10 -0.03 0.00 1.25 0.00 0.00 42.46 42.43 1xwe s ILE 1580CO -0.10 0.31 -0.17 -0.89 0.24 0.00 0.00 174.94 174.34 1xwe s THR 1581N -0.47 2.85 -0.12 8.37 2.01 -1.26 -2.31 115.64 124.72 1xwe s THR 1581Ca 0.06 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1xwe s THR 1581Cb -0.07 -2.10 0.02 0.00 0.01 0.00 0.00 72.50 70.36 1xwe s THR 1581CO -0.00 0.57 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.02 1xwe s PHE 1582N -0.73 1.78 0.01 4.92 0.40 -0.30 -1.29 117.98 122.78 1xwe s PHE 1582Ca 0.11 -0.90 0.06 0.00 -0.60 0.00 0.00 56.93 55.60 1xwe s PHE 1582Cb -0.10 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 1xwe s PHE 1582CO 0.01 -0.54 -0.18 0.96 0.70 0.00 0.00 175.22 176.17 1xwe s ILE 1583N 1.42 2.79 0.20 0.64 -4.36 -0.91 -0.25 121.20 120.73 1xwe s ILE 1583Ca 0.01 -1.06 -0.03 0.00 -0.26 0.00 0.00 60.65 59.31 1xwe s ILE 1583Cb -0.13 -2.14 0.01 0.00 1.25 0.00 0.00 42.46 41.45 1xwe s ILE 1583CO -0.07 0.43 0.32 2.29 0.24 0.00 0.00 174.94 178.15 1xwe n LYS 1584N 1.83 0.46 -2.85 0.37 2.85 -0.87 -4.21 118.16 115.73 1xwe n LYS 1584Ca -0.16 -1.45 -0.29 0.00 -1.05 0.00 0.00 58.31 55.35 1xwe n LYS 1584Cb 0.52 1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 36.38 1xwe n LYS 1584CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1xwe s LYS 1585N -2.33 3.71 0.17 -1.58 3.01 -1.26 -1.80 119.74 119.66 1xwe s LYS 1585Ca 0.14 0.36 0.25 0.00 -1.01 0.00 0.00 55.97 55.71 1xwe s LYS 1585Cb -0.01 -2.41 0.46 0.00 -1.01 0.00 0.00 37.83 34.86 1xwe s LYS 1585CO 0.10 -0.05 1.45 -0.24 0.51 0.00 0.00 175.35 177.12 1xwe h VAL 1586N 0.92 0.00 -0.04 3.17 3.04 -1.66 -3.26 116.25 118.41 1xwe h VAL 1586Ca -0.47 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 64.68 1xwe h VAL 1586Cb 1.19 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 1xwe h VAL 1586CO 0.64 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.55 1xwe n THR 1587N -2.24 0.05 -1.84 3.17 -2.24 -1.26 -4.86 114.28 105.06 1xwe n THR 1587Ca 0.04 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.34 1xwe n THR 1587Cb 0.45 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 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 4.91 3.79 0.00 0.00 -1.04 -1.26 -4.58 114.28 116.11 1xwe n THR 1589Ca 0.17 -5.64 0.00 0.00 -2.04 0.00 0.00 64.05 56.54 1xwe n THR 1589Cb 0.40 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.48 1xwe n THR 1589CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1xwe n ASN 1590N -0.22 0.00 -4.55 8.00 0.23 -1.26 -4.91 115.26 112.55 1xwe n ASN 1590Ca 0.35 0.00 -0.35 0.00 -0.53 0.00 0.00 54.58 54.06 1xwe n ASN 1590Cb 0.37 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.96 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xwe s ALA 1591N 0.00 3.24 -0.40 -2.53 0.00 -1.26 -4.81 121.76 116.00 1xwe s ALA 1591Ca 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1xwe s ALA 1591Cb 0.00 -1.86 0.16 0.00 0.00 0.00 0.00 23.12 21.42 1xwe s ALA 1591CO 0.00 0.03 0.37 -1.21 0.00 0.00 0.00 175.76 174.95 1xwe s GLU 1592N 0.66 0.76 -0.01 0.00 0.41 -1.26 -4.89 118.70 114.37 1xwe s GLU 1592Ca 0.02 -1.42 -0.34 0.00 -0.41 0.00 0.00 54.97 52.82 1xwe s GLU 1592Cb -0.14 -1.01 -0.12 0.00 -1.78 0.00 0.00 34.13 31.09 1xwe s GLU 1592CO 0.02 -1.28 1.80 1.28 -0.49 0.00 0.00 175.26 176.58 1xwe n LEU 1593N 3.56 3.38 -4.72 1.80 7.99 -1.26 -4.96 117.00 122.78 1xwe n LEU 1593Ca 0.19 1.00 -0.35 0.00 -0.01 0.00 0.00 56.01 56.84 1xwe n LEU 1593Cb 0.46 -1.39 -0.08 0.00 -0.11 0.00 0.00 43.42 42.29 1xwe n LEU 1593CO 0.08 -0.11 -0.22 -0.69 -1.51 0.00 0.00 177.39 174.94 1xwe s VAL 1594N 3.14 5.05 -0.02 4.08 1.01 -1.26 -5.07 120.40 127.32 1xwe s VAL 1594Ca 0.88 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.61 1xwe s VAL 1594Cb -0.68 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1xwe s VAL 1594CO 0.47 0.51 1.15 -0.75 0.00 0.00 0.00 175.10 176.48 1xwe s LYS 1595N -0.13 4.41 0.00 2.72 2.20 -1.26 -3.13 119.74 124.55 1xwe s LYS 1595Ca 0.08 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 1xwe s LYS 1595Cb -0.12 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1xwe s LYS 1595CO 0.01 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 1xwe n GLY 1596N 3.23 0.57 3.84 5.54 0.00 -0.54 -5.02 105.19 112.83 1xwe n GLY 1596Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.92 2.72 -0.08 1.61 0.52 -1.19 -4.95 118.95 116.66 1xwe s ARG 1597Ca 0.00 -1.29 0.02 0.00 -0.52 0.00 0.00 55.73 53.93 1xwe s ARG 1597Cb 0.00 -2.46 -0.02 0.00 0.52 0.00 0.00 34.95 32.98 1xwe s ARG 1597CO 0.00 0.12 -0.11 -0.65 0.02 0.00 0.00 175.30 174.68 1xwe s GLN 1598N -3.97 2.84 0.03 3.54 -0.21 -1.26 -1.72 119.66 118.91 1xwe s GLN 1598Ca 0.40 -0.64 0.02 0.00 0.02 0.00 0.00 55.36 55.16 1xwe s GLN 1598Cb -0.06 -2.53 -0.02 0.00 1.00 0.00 0.00 33.01 31.40 1xwe s GLN 1598CO 0.26 0.52 -0.06 0.71 -2.12 0.00 0.00 175.29 174.60 1xwe s TYR 1599N -0.44 0.56 -0.22 0.91 2.02 -0.84 -2.19 117.35 117.15 1xwe s TYR 1599Ca 0.06 -0.40 -0.15 0.00 -0.37 0.00 0.00 57.07 56.20 1xwe s TYR 1599Cb -0.12 -0.34 -0.04 0.00 -0.40 0.00 0.00 41.96 41.06 1xwe s TYR 1599CO 0.02 -0.08 0.36 -1.17 -1.57 0.00 0.00 175.55 173.12 1xwe s LEU 1600N -1.22 4.13 -0.15 -1.29 2.96 -0.29 -2.12 118.68 120.70 1xwe s LEU 1600Ca -0.08 0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 54.25 1xwe s LEU 1600Cb -0.08 -2.45 -0.02 0.00 0.50 0.00 0.00 46.19 44.14 1xwe s LEU 1600CO 0.00 -0.07 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.23 1xwe s ILE 1601N 1.38 3.30 -0.21 6.68 1.01 -0.75 -1.99 121.20 130.62 1xwe s ILE 1601Ca 0.17 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 1xwe s ILE 1601Cb -0.15 -2.42 0.10 0.00 0.01 0.00 0.00 42.46 40.01 1xwe s ILE 1601CO 0.08 0.51 0.23 -0.04 0.00 0.00 0.00 174.94 175.72 1xwe s MET 1602N 0.46 0.21 -0.03 2.79 -1.94 -0.59 -1.86 119.30 118.34 1xwe s MET 1602Ca -0.07 0.19 -0.24 0.00 -1.71 0.00 0.00 55.69 53.86 1xwe s MET 1602Cb -0.15 -1.14 0.08 0.00 2.01 0.00 0.00 34.83 35.62 1xwe s MET 1602CO 0.04 -0.68 1.06 0.41 -0.01 0.00 0.00 175.02 175.84 1xwe n GLY 1603N 5.32 0.25 3.58 -0.03 0.00 -0.87 -0.62 105.19 112.83 1xwe n GLY 1603Ca -0.05 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 1xwe n GLY 1603CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xwe n LYS 1604N -0.76 -0.66 -0.72 1.61 3.00 -0.97 -0.70 118.16 118.94 1xwe n LYS 1604Ca 0.04 -0.14 -0.30 0.00 -0.00 0.00 0.00 58.31 57.92 1xwe n LYS 1604Cb 0.47 -2.22 0.26 0.00 0.00 0.00 0.00 35.03 33.55 1xwe n LYS 1604CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1xwe n GLU 1605N -3.67 -3.77 -3.50 1.64 0.28 -1.26 -4.57 120.64 105.80 1xwe n GLU 1605Ca 0.10 -1.61 -0.20 0.00 -0.16 0.00 0.00 57.16 55.29 1xwe n GLU 1605Cb 0.53 -1.70 -0.01 0.00 1.43 0.00 0.00 31.44 31.69 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 -2.68 4.14 -0.01 -1.84 0.00 -1.26 -4.99 121.76 115.12 1xwe s ALA 1606Ca 0.68 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 51.30 1xwe s ALA 1606Cb -0.09 -1.74 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 1xwe s ALA 1606CO 0.54 -0.03 -0.13 -0.48 0.00 0.00 0.00 175.76 175.67 1xwe s LEU 1607N -4.18 2.01 0.00 0.00 2.34 -1.26 -4.87 118.68 112.72 1xwe s LEU 1607Ca 0.44 -0.23 0.00 0.00 0.06 0.00 0.00 54.13 54.40 1xwe s LEU 1607Cb -0.09 -0.65 0.00 0.00 -0.56 0.00 0.00 46.19 44.88 1xwe s LEU 1607CO 0.32 0.15 0.00 1.67 -1.06 0.00 0.00 176.35 177.43 1xwe n GLN 1608N 2.80 0.00 -3.82 1.48 -0.06 -1.26 -4.32 117.38 112.20 1xwe n GLN 1608Ca -0.14 0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 54.57 1xwe n GLN 1608Cb 0.55 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.67 1xwe n GLN 1608CO 0.00 0.00 0.00 0.44 -0.20 0.00 0.00 177.06 177.30 1xwe n ILE 1609N 0.00 -0.30 0.00 1.69 -5.35 -1.18 -4.83 119.36 109.39 1xwe n ILE 1609Ca 0.00 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1xwe n ILE 1609Cb 0.00 -0.53 0.00 0.00 -1.74 0.00 0.00 39.64 37.37 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 -3.38 0.00 -3.26 6.28 3.00 -1.26 -4.26 118.16 115.28 1xwe n LYS 1610Ca -0.05 0.25 -0.31 0.00 -0.00 0.00 0.00 58.31 58.21 1xwe n LYS 1610Cb 0.41 -0.81 -0.05 0.00 0.00 0.00 0.00 35.03 34.59 1xwe n LYS 1610CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1xwe s TYR 1611N -0.61 3.44 0.35 5.64 2.02 -1.26 -4.84 117.35 122.08 1xwe s TYR 1611Ca 0.00 0.89 0.00 0.00 -0.37 0.00 0.00 57.07 57.59 1xwe s TYR 1611Cb 0.00 -2.29 0.00 0.00 -0.40 0.00 0.00 41.96 39.27 1xwe s TYR 1611CO 0.00 0.16 0.00 -1.71 -1.57 0.00 0.00 175.55 172.43 1xwe n ASN 1612N -0.56 -8.68 0.19 2.29 5.15 -1.26 -2.04 115.26 110.34 1xwe n ASN 1612Ca 0.01 0.60 0.13 0.00 -0.60 0.00 0.00 54.58 54.72 1xwe n ASN 1612Cb 0.53 -4.44 0.67 0.00 -0.53 0.00 0.00 39.78 36.01 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xwe h ALA 1613N -1.36 1.00 -0.84 5.20 0.00 -1.92 -3.39 119.26 117.95 1xwe h ALA 1613Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1xwe h ALA 1613Cb 1.34 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.92 1xwe h ALA 1613CO 0.01 0.00 -0.22 -1.12 0.00 0.00 0.00 179.25 177.92 1xwe s SER 1614N -4.27 -1.25 -0.00 0.00 0.01 -1.23 -4.91 113.70 102.04 1xwe s SER 1614Ca -0.02 0.53 -0.00 0.00 1.31 0.00 0.00 55.95 57.77 1xwe s SER 1614Cb 0.08 1.95 -0.00 0.00 0.21 0.00 0.00 66.02 68.25 1xwe s SER 1614CO 0.27 -0.23 -0.00 0.33 0.41 0.00 0.00 173.24 174.01 1xwe n PHE 1615N 5.41 0.01 -1.96 2.43 7.35 -0.87 -4.91 117.46 124.93 1xwe n PHE 1615Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1xwe n PHE 1615Cb 0.53 -0.19 0.00 0.00 0.35 0.00 0.00 39.48 40.17 1xwe n PHE 1615CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1xwe n ARG 1616N -2.35 0.00 -2.95 -4.13 0.63 -1.26 -4.92 116.66 101.68 1xwe n ARG 1616Ca -0.00 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.96 1xwe n ARG 1616Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.92 1xwe n ARG 1616CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1xwe s TYR 1617N 0.53 -0.53 -0.17 -0.14 1.51 -1.26 -3.10 117.35 114.18 1xwe s TYR 1617Ca 0.00 0.17 -0.00 0.00 -1.01 0.00 0.00 57.07 56.23 1xwe s TYR 1617Cb 0.00 0.09 0.00 0.00 -0.11 0.00 0.00 41.96 41.95 1xwe s TYR 1617CO 0.00 -0.34 -0.14 0.96 -1.11 0.00 0.00 175.55 174.92 1xwe s ILE 1618N 2.34 2.67 -0.06 2.71 -4.36 -1.26 -4.69 121.20 118.56 1xwe s ILE 1618Ca 0.19 -0.76 -0.30 0.00 -0.26 0.00 0.00 60.65 59.53 1xwe s ILE 1618Cb 0.01 -2.14 -0.05 0.00 1.25 0.00 0.00 42.46 41.53 1xwe s ILE 1618CO -0.18 0.51 1.52 -0.31 0.24 0.00 0.00 174.94 176.72 1xwe s TYR 1619N 0.99 2.36 0.37 1.37 1.51 -0.41 -4.37 117.35 119.17 1xwe s TYR 1619Ca -0.02 0.49 0.28 0.00 -1.01 0.00 0.00 57.07 56.81 1xwe s TYR 1619Cb -0.15 -3.79 1.43 0.00 -0.11 0.00 0.00 41.96 39.35 1xwe s TYR 1619CO -0.03 -3.14 2.05 -1.00 -1.11 0.00 0.00 175.55 172.32 1xwe h PRO 1620N 8.84 0.00 -5.70 -1.71 0.13 -1.86 -2.43 132.00 129.27 1xwe h PRO 1620Ca -0.37 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.71 1xwe h PRO 1620Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xwe h PRO 1620CO 0.94 0.12 -0.93 -0.11 -0.23 0.00 0.00 178.00 177.79 1xwe n LEU 1621N -3.54 -6.06 0.00 1.56 7.94 -1.26 -4.48 117.00 111.15 1xwe n LEU 1621Ca -0.01 0.76 -0.20 0.00 -1.11 0.00 0.00 56.01 55.44 1xwe n LEU 1621Cb 0.26 -2.65 0.01 0.00 0.53 0.00 0.00 43.42 41.56 1xwe n LEU 1621CO 0.30 -2.12 0.08 0.47 -1.11 0.00 0.00 177.39 175.00 1xwe n ASP 1622N 0.53 2.30 0.05 1.96 8.00 -1.26 -4.62 116.55 123.51 1xwe n ASP 1622Ca 0.01 -2.45 0.08 0.00 0.71 0.00 0.00 54.79 53.14 1xwe n ASP 1622Cb 0.32 -0.06 0.34 0.00 -0.02 0.00 0.00 41.12 41.70 1xwe n ASP 1622CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1xwe n SER 1623N -1.93 0.24 0.09 -2.24 3.41 -1.24 -2.07 113.62 109.87 1xwe n SER 1623Ca -0.00 0.57 -0.12 0.00 -0.26 0.00 0.00 58.87 59.06 1xwe n SER 1623Cb 0.49 -0.62 -0.07 0.00 -0.26 0.00 0.00 64.21 63.75 1xwe n SER 1623CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1xwe h LEU 1624N 0.00 0.34 -8.55 1.04 8.10 -1.90 -3.41 115.31 110.92 1xwe h LEU 1624Ca 0.00 -0.31 -0.37 0.00 0.11 0.00 0.00 57.88 57.31 1xwe h LEU 1624Cb 0.23 -0.11 0.01 0.00 -0.44 0.00 0.00 40.66 40.35 1xwe h LEU 1624CO 0.00 1.17 1.32 -0.89 -4.11 0.00 0.00 178.44 175.93 1xwe s THR 1625N -2.98 3.01 -0.42 0.15 2.01 -0.88 -4.81 115.64 111.72 1xwe s THR 1625Ca -0.03 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.69 1xwe s THR 1625Cb 0.09 -3.03 -0.07 0.00 0.01 0.00 0.00 72.50 69.50 1xwe s THR 1625CO 0.85 -0.03 2.36 1.87 -0.69 0.00 0.00 174.62 178.98 1xwe n TRP 1626N 16.45 1.57 -4.48 4.92 -0.00 0.21 -4.83 117.44 131.27 1xwe n TRP 1626Ca 0.38 0.07 -0.34 0.00 -0.00 0.00 0.00 57.50 57.61 1xwe n TRP 1626Cb 0.53 -2.65 -0.12 0.00 -0.00 0.00 0.00 31.31 29.07 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 10.54 3.76 -0.06 5.87 1.01 -1.26 -1.54 121.20 139.52 1xwe s ILE 1627Ca 1.02 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 61.24 1xwe s ILE 1627Cb -0.33 -2.63 0.03 0.00 0.01 0.00 0.00 42.46 39.55 1xwe s ILE 1627CO 0.32 0.51 0.04 -0.70 0.00 0.00 0.00 174.94 175.11 1xwe s GLU 1628N 0.20 0.21 0.29 2.79 2.12 -0.84 -2.99 118.70 120.47 1xwe s GLU 1628Ca -0.03 0.23 -0.30 0.00 0.36 0.00 0.00 54.97 55.23 1xwe s GLU 1628Cb -0.14 -0.79 -0.12 0.00 0.26 0.00 0.00 34.13 33.34 1xwe s GLU 1628CO 0.03 -0.34 1.47 0.98 -0.54 0.00 0.00 175.26 176.86 1xwe n TYR 1629N 5.23 2.53 -3.39 5.30 9.36 -1.26 -1.14 117.16 133.79 1xwe n TYR 1629Ca -0.05 0.38 -0.44 0.00 3.32 0.00 0.00 57.90 61.11 1xwe n TYR 1629Cb 0.50 -2.52 -0.07 0.00 -0.63 0.00 0.00 39.34 36.63 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 -0.27 3.28 -0.28 2.98 -0.11 -0.93 -4.86 118.94 118.75 1xwe s TRP 1630Ca 0.63 -1.27 -0.33 0.00 1.22 0.00 0.00 56.10 56.35 1xwe s TRP 1630Cb -0.56 -3.49 -0.10 0.00 -1.50 0.00 0.00 33.47 27.82 1xwe s TRP 1630CO 0.52 -0.93 2.16 -2.30 -4.62 0.00 0.00 176.95 171.77 1xwe n PRO 1631N 5.16 1.48 0.07 5.86 -0.02 -1.26 -4.67 135.00 141.62 1xwe n PRO 1631Ca -0.12 0.43 0.02 0.00 -2.02 0.00 0.00 63.50 61.81 1xwe n PRO 1631Cb 0.41 -2.72 -0.05 0.00 -0.02 0.00 0.00 33.50 31.13 1xwe n PRO 1631CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xwe h ARG 1632N 12.74 0.00 -6.47 -0.52 3.08 -1.95 -3.45 114.38 117.81 1xwe h ARG 1632Ca -0.34 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.14 1xwe h ARG 1632Cb 1.29 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.28 1xwe h ARG 1632CO 0.99 0.29 0.90 -0.51 -1.07 0.00 0.00 179.97 180.57 1xwe s ASP 1633N -5.87 6.77 0.00 7.04 1.01 -1.26 -4.76 116.67 119.60 1xwe s ASP 1633Ca -0.01 0.85 0.00 0.00 0.71 0.00 0.00 52.55 54.10 1xwe s ASP 1633Cb 0.08 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1xwe s ASP 1633CO 0.79 -1.06 0.00 0.35 0.21 0.00 0.00 175.17 175.46 1xwe n THR 1634N 6.31 0.00 -0.23 -1.27 -2.24 -1.25 -3.99 114.28 111.61 1xwe n THR 1634Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1xwe n THR 1634Cb 0.48 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1xwe n THR 1634CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xwe n THR 1635N -0.71 0.00 -0.02 4.28 -2.24 -1.26 -3.61 114.28 110.71 1xwe n THR 1635Ca 0.00 -0.32 -0.01 0.00 -2.27 0.00 0.00 64.05 61.45 1xwe n THR 1635Cb 0.07 1.23 -0.00 0.00 -2.10 0.00 0.00 70.33 69.53 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 -3.05 4.15 -2.63 0.00 3.41 -1.26 -5.02 113.62 109.22 1xwe n SER 1637Ca -0.02 -2.32 -0.04 0.00 -0.26 0.00 0.00 58.87 56.23 1xwe n SER 1637Cb 0.06 -0.49 -0.04 0.00 -0.26 0.00 0.00 64.21 63.49 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 0.96 -2.51 -3.15 4.04 7.64 -1.26 -5.04 113.62 114.31 1xwe n SER 1638Ca 0.22 1.38 0.04 0.00 1.01 0.00 0.00 58.87 61.53 1xwe n SER 1638Cb 0.74 -5.32 -0.01 0.00 -1.01 0.00 0.00 64.21 58.61 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 5.42 0.32 0.29 0.00 6.02 -1.26 -3.97 117.38 124.20 1xwe n GLN 1640Ca 0.02 -0.49 0.18 0.00 -0.01 0.00 0.00 57.00 56.70 1xwe n GLN 1640Cb 0.53 -0.60 0.87 0.00 1.02 0.00 0.00 30.24 32.06 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xwe h ALA 1641N 0.00 1.05 0.03 -1.58 0.00 -1.96 -1.55 119.26 115.25 1xwe h ALA 1641Ca 0.00 -0.03 -0.39 0.00 0.00 0.00 0.00 54.91 54.50 1xwe h ALA 1641Cb 0.73 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1xwe h ALA 1641CO 0.00 0.04 -2.27 0.34 0.00 0.00 0.00 179.25 177.36 1xwe n PHE 1642N -3.20 0.39 0.30 0.00 -0.00 -1.26 -4.24 117.46 109.46 1xwe n PHE 1642Ca -0.01 0.10 0.18 0.00 -0.00 0.00 0.00 57.45 57.73 1xwe n PHE 1642Cb 0.22 -1.05 0.86 0.00 -0.00 0.00 0.00 39.48 39.50 1xwe n PHE 1642CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1xwe h LEU 1643N -0.27 0.00 0.28 -2.13 -0.00 -1.84 -1.25 115.31 110.10 1xwe h LEU 1643Ca -0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.32 1xwe h LEU 1643Cb 1.82 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.48 1xwe h LEU 1643CO -0.13 0.00 -0.14 0.00 -0.00 0.00 0.00 178.44 178.18 1xwe h ALA 1644N 2.03 -0.38 0.00 1.53 0.00 -1.46 -0.30 119.26 120.68 1xwe h ALA 1644Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1xwe h ALA 1644Cb 0.26 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xwe h ALA 1644CO 0.00 -0.50 -0.09 -2.95 0.00 0.00 0.00 179.25 175.71 1xwe h ASN 1645N -0.81 0.00 1.01 0.00 -1.07 -1.71 -3.04 115.58 109.96 1xwe h ASN 1645Ca -0.04 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.14 1xwe h ASN 1645Cb 0.51 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.74 1xwe h ASN 1645CO 0.06 0.09 -0.89 0.25 0.07 0.00 0.00 177.43 177.01 1xwe h LEU 1646N 0.00 0.00 -1.15 6.14 5.85 -1.22 -3.24 115.31 121.69 1xwe h LEU 1646Ca -0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1xwe h LEU 1646Cb 0.83 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1xwe h LEU 1646CO 0.01 0.89 -0.09 -0.78 -0.34 0.00 0.00 178.44 178.14 1xwe h ASP 1647N 0.00 0.47 0.52 1.25 1.82 -0.92 -1.63 116.42 117.92 1xwe h ASP 1647Ca -0.01 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 1xwe h ASP 1647Cb 1.63 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.52 1xwe h ASP 1647CO 0.12 0.60 0.00 -0.33 -1.61 0.00 0.00 179.24 178.01 1xwe h GLU 1648N 0.46 0.00 0.00 0.28 5.08 -1.62 -1.80 114.58 116.98 1xwe h GLU 1648Ca 0.09 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1xwe h GLU 1648Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1xwe h GLU 1648CO 0.02 0.00 -1.29 0.35 -1.00 0.00 0.00 179.01 177.09 1xwe h PHE 1649N 0.00 0.00 0.00 4.33 3.57 -1.42 -3.31 116.94 120.11 1xwe h PHE 1649Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1xwe h PHE 1649Cb 0.26 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1xwe h PHE 1649CO 0.00 0.47 0.00 0.00 -2.23 0.00 0.00 178.31 176.55 1xwe n ALA 1650N -2.35 -0.35 0.18 2.41 0.00 -0.68 -1.61 120.51 118.12 1xwe n ALA 1650Ca -0.07 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.53 1xwe n ALA 1650Cb 0.78 0.05 0.78 0.00 0.00 0.00 0.00 19.45 21.05 1xwe n ALA 1650CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1xwe h GLU 1651N 0.00 0.00 0.19 0.00 4.11 -1.78 0.12 114.58 117.21 1xwe h GLU 1651Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1xwe h GLU 1651Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xwe h GLU 1651CO 0.00 0.00 -0.09 0.22 0.07 0.00 0.00 179.01 179.21 1xwe h ASP 1652N 0.00 -0.22 0.58 3.06 1.82 -1.60 0.30 116.42 120.36 1xwe h ASP 1652Ca 0.10 0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.71 1xwe h ASP 1652Cb 0.50 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 1xwe h ASP 1652CO -0.00 -0.15 -0.21 -0.29 -1.61 0.00 0.00 179.24 176.97 1xwe h ILE 1653N -0.26 0.69 -0.08 2.25 6.09 -1.13 0.53 117.51 125.61 1xwe h ILE 1653Ca -0.03 -0.92 -0.20 0.00 -1.37 0.00 0.00 64.86 62.34 1xwe h ILE 1653Cb 0.20 1.58 0.00 0.00 0.47 0.00 0.00 36.82 39.07 1xwe h ILE 1653CO 0.04 0.21 -0.79 0.15 -3.07 0.00 0.00 178.15 174.69 1xwe h PHE 1654N 0.00 0.71 0.00 2.19 3.57 -0.94 -3.03 116.94 119.43 1xwe h PHE 1654Ca -0.00 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1xwe h PHE 1654Cb 0.56 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1xwe h PHE 1654CO 0.00 1.12 0.00 -0.11 -2.23 0.00 0.00 178.31 177.09 1xwe n LEU 1655N -3.85 0.00 -0.97 0.59 -0.00 0.10 -4.64 117.00 108.24 1xwe n LEU 1655Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.94 1xwe n LEU 1655Cb 0.74 -0.31 0.03 0.00 -0.00 0.00 0.00 43.42 43.89 1xwe n LEU 1655CO 0.50 -0.42 0.50 0.59 -0.00 0.00 0.00 177.39 178.55 1xwe n ASN 1656N -2.32 2.54 -3.53 1.96 3.02 0.16 -4.91 115.26 112.17 1xwe n ASN 1656Ca 0.00 -2.16 -0.30 0.00 -0.03 0.00 0.00 54.58 52.08 1xwe n ASN 1656Cb 0.00 -0.53 0.28 0.00 -0.61 0.00 0.00 39.78 38.92 1xwe n ASN 1656CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1xwe s GLY 1657N 0.43 1.44 0.00 7.41 0.00 0.55 -4.70 107.32 112.45 1xwe s GLY 1657Ca 0.07 -0.80 0.25 0.00 0.00 0.00 0.00 44.72 44.23 1xwe s GLY 1657CO 0.02 0.18 1.33 0.00 0.00 0.00 0.00 173.10 174.62