#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 -0.68 -4.70 1.61 7.64 -1.26 -4.89 113.62 111.34 1xwe n SER 1509Ca 0.00 1.36 -0.42 0.00 1.01 0.00 0.00 58.87 60.82 1xwe n SER 1509Cb 0.00 -5.29 -0.03 0.00 -1.01 0.00 0.00 64.21 57.88 1xwe n SER 1509CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1xwe s HIS 1510N -0.72 3.19 -0.22 1.43 5.65 -1.26 -5.01 115.29 118.35 1xwe s HIS 1510Ca -0.28 1.06 -0.08 0.00 0.25 0.00 0.00 55.06 56.01 1xwe s HIS 1510Cb 0.02 -3.56 0.10 0.00 -1.18 0.00 0.00 32.58 27.96 1xwe s HIS 1510CO 0.80 -1.92 0.48 1.41 -0.65 0.00 0.00 174.74 174.86 1xwe s MET 1511N 1.56 0.39 -0.03 2.88 -2.45 -1.26 -5.13 119.30 115.26 1xwe s MET 1511Ca 0.61 1.14 -0.02 0.00 -1.25 0.00 0.00 55.69 56.17 1xwe s MET 1511Cb -0.32 0.46 0.02 0.00 1.25 0.00 0.00 34.83 36.24 1xwe s MET 1511CO 0.28 -0.24 0.08 0.00 1.05 0.00 0.00 175.02 176.19 1xwe s ALA 1512N 2.64 -0.14 0.00 4.11 0.00 -1.26 -5.10 121.76 122.01 1xwe s ALA 1512Ca -0.03 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1xwe s ALA 1512Cb -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1xwe s ALA 1512CO -0.14 -0.07 0.20 -0.25 0.00 0.00 0.00 175.76 175.50 1xwe n ASP 1513N 3.49 0.00 -3.12 0.00 8.00 -1.26 -3.10 116.55 120.56 1xwe n ASP 1513Ca -0.18 0.20 -0.14 0.00 0.71 0.00 0.00 54.79 55.39 1xwe n ASP 1513Cb 0.56 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.68 1xwe n ASP 1513CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xwe n GLY 1515N 0.41 0.65 3.39 0.00 0.00 -1.05 -3.60 105.19 104.98 1xwe n GLY 1515Ca -0.00 -0.18 -0.56 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.28 0.58 -1.67 1.61 -0.06 -1.26 -3.59 117.38 112.71 1xwe n GLN 1516Ca 0.00 0.17 -0.26 0.00 -2.00 0.00 0.00 57.00 54.91 1xwe n GLN 1516Cb 0.17 -1.99 0.18 0.00 -4.06 0.00 0.00 30.24 24.54 1xwe n GLN 1516CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 1xwe n MET 1517N 7.54 -1.19 -4.19 3.69 2.81 -1.26 -4.64 117.12 119.87 1xwe n MET 1517Ca 0.46 -1.82 -0.19 0.00 -1.81 0.00 0.00 57.70 54.34 1xwe n MET 1517Cb 0.10 -1.22 -0.12 0.00 -0.71 0.00 0.00 33.22 31.27 1xwe n MET 1517CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1xwe s GLN 1518N -5.57 0.88 0.55 0.03 -1.52 -1.26 -5.02 119.66 107.75 1xwe s GLN 1518Ca 0.67 -1.02 -0.20 0.00 -1.95 0.00 0.00 55.36 52.86 1xwe s GLN 1518Cb -0.02 -0.90 -0.06 0.00 -0.22 0.00 0.00 33.01 31.81 1xwe s GLN 1518CO 0.47 0.20 0.96 -0.85 -0.25 0.00 0.00 175.29 175.82 1xwe n GLU 1519N 1.15 1.03 -2.94 2.91 0.00 -1.26 -4.81 120.64 116.71 1xwe n GLU 1519Ca -0.20 0.39 -0.42 0.00 0.00 0.00 0.00 57.16 56.93 1xwe n GLU 1519Cb 0.54 -2.12 -0.05 0.00 0.00 0.00 0.00 31.44 29.81 1xwe n GLU 1519CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1xwe s GLU 1520N -2.53 3.98 -0.14 3.44 2.02 -1.26 -4.64 118.70 119.58 1xwe s GLU 1520Ca 0.72 0.61 -0.10 0.00 0.02 0.00 0.00 54.97 56.22 1xwe s GLU 1520Cb -0.45 -3.72 0.04 0.00 0.10 0.00 0.00 34.13 30.09 1xwe s GLU 1520CO 0.50 -0.67 0.19 1.28 0.02 0.00 0.00 175.26 176.59 1xwe n LEU 1521N 6.20 -6.27 -3.64 1.80 4.77 -1.26 -5.08 117.00 113.52 1xwe n LEU 1521Ca 0.04 2.47 -0.07 0.00 -0.03 0.00 0.00 56.01 58.42 1xwe n LEU 1521Cb 0.48 -3.29 -0.07 0.00 -2.33 0.00 0.00 43.42 38.21 1xwe n LEU 1521CO 0.50 -3.82 0.35 -0.62 -1.33 0.00 0.00 177.39 172.46 1xwe s ASP 1522N -0.65 -0.93 -0.06 -1.43 -1.08 -1.26 -5.03 116.67 106.24 1xwe s ASP 1522Ca -0.22 1.50 0.08 0.00 -0.52 0.00 0.00 52.55 53.39 1xwe s ASP 1522Cb 0.01 1.38 0.34 0.00 -1.46 0.00 0.00 42.92 43.19 1xwe s ASP 1522CO 0.60 -0.24 1.16 0.18 0.52 0.00 0.00 175.17 177.39 1xwe n LEU 1523N 4.22 2.51 -0.22 -1.34 4.77 -1.26 -3.90 117.00 121.78 1xwe n LEU 1523Ca -0.20 -1.26 0.15 0.00 -0.03 0.00 0.00 56.01 54.67 1xwe n LEU 1523Cb 0.59 -0.41 0.73 0.00 -2.33 0.00 0.00 43.42 42.00 1xwe n LEU 1523CO -0.01 0.44 0.98 0.35 -1.33 0.00 0.00 177.39 177.82 1xwe n THR 1524N 0.39 0.01 -4.91 -5.08 -2.24 -1.26 -4.77 114.28 96.42 1xwe n THR 1524Ca 0.12 -0.12 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 1xwe n THR 1524Cb 0.49 -0.04 -0.17 0.00 -2.10 0.00 0.00 70.33 68.51 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 -1.99 1.59 0.71 2.28 1.01 -1.25 -5.14 121.20 118.40 1xwe s ILE 1525Ca 0.42 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1xwe s ILE 1525Cb 0.21 -1.39 0.13 0.00 0.01 0.00 0.00 42.46 41.42 1xwe s ILE 1525CO 0.34 0.45 0.97 -0.94 0.00 0.00 0.00 174.94 175.77 1xwe s SER 1526N 0.37 4.41 0.00 3.58 1.04 -1.26 -5.01 113.70 116.83 1xwe s SER 1526Ca -0.13 -0.52 0.26 0.00 0.48 0.00 0.00 55.95 56.03 1xwe s SER 1526Cb -0.16 0.16 0.60 0.00 0.10 0.00 0.00 66.02 66.73 1xwe s SER 1526CO 0.05 -1.83 1.47 0.00 0.98 0.00 0.00 173.24 173.92 1xwe n ALA 1527N -2.75 3.35 -0.08 5.32 0.00 -1.26 -4.02 120.51 121.06 1xwe n ALA 1527Ca 0.16 -0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.00 1xwe n ALA 1527Cb 0.61 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 18.82 1xwe n ALA 1527CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xwe n GLU 1528N -1.08 0.66 -0.18 0.00 1.02 -1.26 -3.77 120.64 116.04 1xwe n GLU 1528Ca 0.09 0.26 0.11 0.00 -0.02 0.00 0.00 57.16 57.60 1xwe n GLU 1528Cb 0.34 -1.61 0.42 0.00 -0.02 0.00 0.00 31.44 30.58 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 -0.28 0.90 -0.01 2.62 2.02 -1.98 -0.00 112.91 116.17 1xwe h THR 1529Ca -0.52 -0.20 -0.19 0.00 0.77 0.00 0.00 66.41 66.27 1xwe h THR 1529Cb 1.82 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1xwe h THR 1529CO -0.10 0.11 -0.84 0.03 0.37 0.00 0.00 175.52 175.09 1xwe h ARG 1530N 0.59 0.23 0.00 6.66 3.08 -1.75 -3.16 114.38 120.03 1xwe h ARG 1530Ca 0.35 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 60.05 1xwe h ARG 1530Cb 0.57 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1xwe h ARG 1530CO -0.13 0.94 -0.56 -0.22 -1.07 0.00 0.00 179.97 178.94 1xwe h LYS 1531N 0.14 0.00 0.00 0.04 1.63 -1.20 -2.78 116.57 114.40 1xwe h LYS 1531Ca -0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1xwe h LYS 1531Cb 1.44 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.07 1xwe h LYS 1531CO 0.13 0.56 0.02 1.96 -3.45 0.00 0.00 179.45 178.67 1xwe h GLN 1532N 0.00 0.00 0.00 1.90 4.20 -1.03 -0.48 115.11 119.69 1xwe h GLN 1532Ca -0.01 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.43 1xwe h GLN 1532Cb 1.05 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.78 1xwe h GLN 1532CO 0.07 0.00 -2.28 2.41 -0.67 0.00 0.00 178.83 178.36 1xwe n THR 1533N -2.85 1.04 0.27 -0.54 -1.04 -1.07 -4.27 114.28 105.82 1xwe n THR 1533Ca -0.03 -0.76 0.16 0.00 -2.04 0.00 0.00 64.05 61.38 1xwe n THR 1533Cb 0.08 -0.35 0.73 0.00 -1.82 0.00 0.00 70.33 68.97 1xwe n THR 1533CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xwe h ALA 1534N 1.24 1.06 -0.00 2.41 0.00 -0.91 -1.89 119.26 121.16 1xwe h ALA 1534Ca -0.41 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xwe h ALA 1534Cb 1.93 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1xwe h ALA 1534CO 0.02 0.08 -0.33 0.00 0.00 0.00 0.00 179.25 179.02 1xwe s LYS 1536N -2.74 3.96 0.24 0.00 1.02 -0.71 -4.95 119.74 116.56 1xwe s LYS 1536Ca 0.18 0.62 0.15 0.00 0.02 0.00 0.00 55.97 56.95 1xwe s LYS 1536Cb 0.19 -2.43 0.83 0.00 -0.52 0.00 0.00 37.83 35.90 1xwe s LYS 1536CO 0.59 0.12 1.45 -2.30 -0.92 0.00 0.00 175.35 174.30 1xwe n PRO 1537N -0.53 0.10 0.00 -1.68 -0.02 -1.26 -1.48 135.00 130.13 1xwe n PRO 1537Ca 0.03 0.59 0.06 0.00 -2.02 0.00 0.00 63.50 62.17 1xwe n PRO 1537Cb 0.53 -1.85 0.28 0.00 -0.02 0.00 0.00 33.50 32.44 1xwe n PRO 1537CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1xwe n GLU 1538N -2.04 0.02 -4.73 -0.52 4.07 -1.26 -4.67 120.64 111.51 1xwe n GLU 1538Ca -0.01 0.27 -0.29 0.00 -0.06 0.00 0.00 57.16 57.07 1xwe n GLU 1538Cb 0.05 -1.50 -0.14 0.00 -0.06 0.00 0.00 31.44 29.79 1xwe n GLU 1538CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1xwe s ILE 1539N -2.96 2.03 0.00 6.31 -1.09 -0.55 -2.72 121.20 122.23 1xwe s ILE 1539Ca 0.07 -1.42 0.00 0.00 -2.23 0.00 0.00 60.65 57.07 1xwe s ILE 1539Cb 0.08 -1.76 0.00 0.00 -1.58 0.00 0.00 42.46 39.20 1xwe s ILE 1539CO 0.23 0.26 0.00 0.00 -1.23 0.00 0.00 174.94 174.20 1xwe n ALA 1540N 1.61 1.94 -2.14 9.38 0.00 0.39 -4.71 120.51 126.98 1xwe n ALA 1540Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 1xwe n ALA 1540Cb 0.52 0.33 -0.10 0.00 0.00 0.00 0.00 19.45 20.20 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 -1.89 0.66 -0.24 0.00 -0.85 -0.72 -4.30 117.35 110.01 1xwe s TYR 1541Ca 0.00 -1.00 -0.03 0.00 -0.52 0.00 0.00 57.07 55.52 1xwe s TYR 1541Cb 0.00 -0.43 0.13 0.00 0.38 0.00 0.00 41.96 42.04 1xwe s TYR 1541CO 0.00 -0.29 0.36 0.00 -1.52 0.00 0.00 175.55 174.10 1xwe s ALA 1542N -3.76 -0.99 0.37 9.51 0.00 -0.83 -2.05 121.76 124.02 1xwe s ALA 1542Ca 0.08 0.78 -0.08 0.00 0.00 0.00 0.00 51.96 52.74 1xwe s ALA 1542Cb 0.07 -1.66 0.03 0.00 0.00 0.00 0.00 23.12 21.56 1xwe s ALA 1542CO -0.08 -1.29 0.63 2.48 0.00 0.00 0.00 175.76 177.50 1xwe n TYR 1543N 5.36 -1.91 -5.00 0.00 0.18 -0.86 0.81 117.16 115.74 1xwe n TYR 1543Ca -0.04 -2.05 -0.32 0.00 1.88 0.00 0.00 57.90 57.37 1xwe n TYR 1543Cb 0.50 0.73 -0.16 0.00 -0.38 0.00 0.00 39.34 40.03 1xwe n TYR 1543CO 0.00 0.00 0.00 -1.59 -2.08 0.00 0.00 176.86 173.19 1xwe s LYS 1544N -2.42 3.17 0.41 -3.48 0.00 -0.99 -2.10 119.74 114.34 1xwe s LYS 1544Ca 0.22 -0.80 0.05 0.00 0.00 0.00 0.00 55.97 55.43 1xwe s LYS 1544Cb -0.03 -2.44 -0.06 0.00 0.00 0.00 0.00 37.83 35.30 1xwe s LYS 1544CO 0.16 0.17 0.03 0.08 0.00 0.00 0.00 175.35 175.78 1xwe s VAL 1545N 0.40 1.60 -0.15 1.79 1.01 -0.83 -1.31 120.40 122.92 1xwe s VAL 1545Ca -0.15 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 59.79 1xwe s VAL 1545Cb -0.17 -2.77 0.07 0.00 0.00 0.00 0.00 36.38 33.51 1xwe s VAL 1545CO 0.07 0.00 0.20 -0.55 0.00 0.00 0.00 175.10 174.82 1xwe s SER 1546N -3.69 1.02 0.45 3.32 0.15 -0.75 -0.05 113.70 114.16 1xwe s SER 1546Ca 0.29 0.10 -0.24 0.00 0.70 0.00 0.00 55.95 56.81 1xwe s SER 1546Cb 0.08 0.37 -0.09 0.00 -1.71 0.00 0.00 66.02 64.67 1xwe s SER 1546CO 0.15 -0.28 1.15 -0.38 1.20 0.00 0.00 173.24 175.08 1xwe n ILE 1547N 5.32 2.74 0.00 6.45 2.08 -0.80 -2.17 119.36 132.98 1xwe n ILE 1547Ca -0.05 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.76 1xwe n ILE 1547Cb 0.50 -1.38 0.00 0.00 -0.75 0.00 0.00 39.64 38.00 1xwe n ILE 1547CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1xwe n THR 1548N -0.53 0.00 -3.74 1.39 -2.24 -0.88 -2.38 114.28 105.90 1xwe n THR 1548Ca 0.09 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.76 1xwe n THR 1548Cb 0.41 -0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.50 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 -0.98 -0.08 -0.10 3.42 0.15 -0.52 -4.79 113.70 110.80 1xwe s SER 1549Ca 0.00 -0.40 -0.02 0.00 0.70 0.00 0.00 55.95 56.22 1xwe s SER 1549Cb 0.00 0.40 0.04 0.00 -1.71 0.00 0.00 66.02 64.74 1xwe s SER 1549CO 0.00 -0.75 0.04 -0.63 1.20 0.00 0.00 173.24 173.10 1xwe s ILE 1550N -3.51 0.20 -0.16 6.45 1.01 -1.26 -1.62 121.20 122.32 1xwe s ILE 1550Ca 0.02 0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 1xwe s ILE 1550Cb 0.02 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 1xwe s ILE 1550CO -0.09 0.08 0.05 -0.89 0.00 0.00 0.00 174.94 174.08 1xwe s THR 1551N 2.03 4.66 -0.06 2.92 2.01 0.45 -4.98 115.64 122.67 1xwe s THR 1551Ca 0.04 -0.09 -0.03 0.00 0.31 0.00 0.00 61.69 61.92 1xwe s THR 1551Cb -0.14 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1xwe s THR 1551CO -0.06 0.49 0.11 0.54 -0.69 0.00 0.00 174.62 175.01 1xwe s VAL 1552N 0.13 5.07 0.14 3.82 0.11 -1.26 -1.75 120.40 126.67 1xwe s VAL 1552Ca 0.04 -0.12 -0.05 0.00 -2.93 0.00 0.00 61.98 58.93 1xwe s VAL 1552Cb -0.12 -3.26 -0.03 0.00 -1.53 0.00 0.00 36.38 31.44 1xwe s VAL 1552CO 0.01 0.48 0.15 -0.70 -3.33 0.00 0.00 175.10 171.71 1xwe s GLU 1553N -1.39 1.01 -0.13 1.54 2.56 -1.17 -4.91 118.70 116.22 1xwe s GLU 1553Ca 0.19 -1.31 -0.29 0.00 0.00 0.00 0.00 54.97 53.56 1xwe s GLU 1553Cb -0.12 0.30 -0.02 0.00 2.00 0.00 0.00 34.13 36.29 1xwe s GLU 1553CO 0.10 -0.33 1.26 -0.80 -0.56 0.00 0.00 175.26 174.93 1xwe s ASN 1554N -3.01 6.97 0.00 -1.70 -0.87 -1.26 -3.71 114.94 111.36 1xwe s ASN 1554Ca 0.20 1.75 0.00 0.00 -1.57 0.00 0.00 52.86 53.24 1xwe s ASN 1554Cb 0.06 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.74 1xwe s ASN 1554CO 0.00 -0.71 0.00 0.52 -2.57 0.00 0.00 177.10 174.34 1xwe n VAL 1555N 5.14 0.00 -3.80 1.60 0.31 -1.26 -4.86 118.33 115.46 1xwe n VAL 1555Ca 0.13 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.33 1xwe n VAL 1555Cb 0.45 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.38 1xwe n VAL 1555CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1xwe n PHE 1556N 0.00 -0.79 -3.61 3.52 3.01 -1.24 -0.73 117.46 117.63 1xwe n PHE 1556Ca 0.00 -1.17 -0.12 0.00 1.01 0.00 0.00 57.45 57.16 1xwe n PHE 1556Cb 0.00 -0.21 -0.07 0.00 -0.01 0.00 0.00 39.48 39.19 1xwe n PHE 1556CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1xwe s VAL 1557N -1.44 0.00 0.01 -4.37 0.11 0.98 -3.03 120.40 112.66 1xwe s VAL 1557Ca 0.13 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.25 1xwe s VAL 1557Cb -0.01 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1xwe s VAL 1557CO 0.08 0.00 -0.20 -0.54 -3.33 0.00 0.00 175.10 171.11 1xwe s LYS 1558N -0.19 1.52 -0.11 1.54 1.02 -0.71 -1.36 119.74 121.45 1xwe s LYS 1558Ca -0.01 -0.82 0.02 0.00 0.02 0.00 0.00 55.97 55.18 1xwe s LYS 1558Cb -0.03 -1.54 0.01 0.00 -0.52 0.00 0.00 37.83 35.74 1xwe s LYS 1558CO 0.00 0.41 -0.17 0.71 -0.92 0.00 0.00 175.35 175.38 1xwe s TYR 1559N -0.62 2.11 -0.52 3.18 1.51 -0.58 -0.41 117.35 122.02 1xwe s TYR 1559Ca 0.08 -0.98 -0.19 0.00 -1.01 0.00 0.00 57.07 54.96 1xwe s TYR 1559Cb -0.08 -1.49 0.06 0.00 -0.11 0.00 0.00 41.96 40.34 1xwe s TYR 1559CO 0.00 -0.48 0.65 0.15 -1.11 0.00 0.00 175.55 174.76 1xwe s LYS 1560N 0.87 3.13 0.01 -0.62 -0.14 -0.64 -1.32 119.74 121.03 1xwe s LYS 1560Ca -0.08 -0.90 0.08 0.00 -1.36 0.00 0.00 55.97 53.70 1xwe s LYS 1560Cb -0.15 -4.11 -0.02 0.00 -1.68 0.00 0.00 37.83 31.86 1xwe s LYS 1560CO -0.00 -1.27 -0.24 0.00 -0.76 0.00 0.00 175.35 173.08 1xwe s ALA 1561N 2.71 1.99 -0.30 5.17 0.00 -0.95 -1.44 121.76 128.94 1xwe s ALA 1561Ca 0.16 -1.08 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 1xwe s ALA 1561Cb -0.19 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 1xwe s ALA 1561CO 0.12 0.48 0.32 0.99 0.00 0.00 0.00 175.76 177.66 1xwe s THR 1562N -0.65 5.21 -0.48 0.00 2.01 -0.92 -2.17 115.64 118.64 1xwe s THR 1562Ca 0.09 0.24 -0.27 0.00 0.31 0.00 0.00 61.69 62.06 1xwe s THR 1562Cb -0.09 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1xwe s THR 1562CO 0.00 0.08 1.85 -0.22 -0.69 0.00 0.00 174.62 175.64 1xwe s LEU 1563N 1.96 3.40 0.12 4.42 2.96 -1.10 -1.81 118.68 128.62 1xwe s LEU 1563Ca 0.11 0.80 -0.14 0.00 -0.22 0.00 0.00 54.13 54.68 1xwe s LEU 1563Cb -0.16 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.52 1xwe s LEU 1563CO 0.11 -2.10 1.50 -0.07 -1.32 0.00 0.00 176.35 174.47 1xwe h LEU 1564N 15.34 0.78 -7.51 -0.68 -0.00 -1.44 0.49 115.31 122.29 1xwe h LEU 1564Ca -0.29 -0.40 -0.09 0.00 -0.00 0.00 0.00 57.88 57.11 1xwe h LEU 1564Cb 1.17 -0.22 -0.16 0.00 -0.00 0.00 0.00 40.66 41.45 1xwe h LEU 1564CO 1.13 1.00 -0.20 -1.81 -0.00 0.00 0.00 178.44 178.56 1xwe s ASP 1565N -6.45 -0.16 -0.19 -0.43 1.01 -1.00 -4.04 116.67 105.42 1xwe s ASP 1565Ca -0.12 -0.17 -0.06 0.00 0.71 0.00 0.00 52.55 52.91 1xwe s ASP 1565Cb 0.10 0.38 -0.03 0.00 1.01 0.00 0.00 42.92 44.38 1xwe s ASP 1565CO 0.82 -0.65 0.02 -0.63 0.21 0.00 0.00 175.17 174.94 1xwe s ILE 1566N -2.68 4.28 -0.03 0.77 -1.09 -1.26 -2.33 121.20 118.86 1xwe s ILE 1566Ca -0.04 -0.21 0.08 0.00 -2.23 0.00 0.00 60.65 58.25 1xwe s ILE 1566Cb -0.00 -2.93 -0.12 0.00 -1.58 0.00 0.00 42.46 37.83 1xwe s ILE 1566CO -0.04 0.45 0.14 -1.22 -1.23 0.00 0.00 174.94 173.04 1xwe n TYR 1567N 3.86 0.00 -3.34 3.97 4.02 -0.46 -4.93 117.16 120.27 1xwe n TYR 1567Ca -0.17 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.63 1xwe n TYR 1567Cb 0.52 -0.24 -0.08 0.00 -0.02 0.00 0.00 39.34 39.52 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 -2.47 0.36 0.13 -0.72 2.36 0.24 -4.05 119.74 115.59 1xwe s LYS 1568Ca -0.03 0.40 -0.33 0.00 -2.55 0.00 0.00 55.97 53.46 1xwe s LYS 1568Cb 0.04 -0.45 -0.17 0.00 -1.05 0.00 0.00 37.83 36.20 1xwe s LYS 1568CO 0.34 -0.75 0.93 2.41 1.55 0.00 0.00 175.35 179.82 1xwe n THR 1569N 5.36 0.98 1.89 3.43 -1.04 -1.26 -1.96 114.28 121.68 1xwe n THR 1569Ca -0.03 -0.25 0.14 0.00 -2.04 0.00 0.00 64.05 61.88 1xwe n THR 1569Cb 0.50 -0.31 0.77 0.00 -1.82 0.00 0.00 70.33 69.46 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 1.82 -0.79 4.46 3.41 0.00 -1.26 -4.28 105.19 108.56 1xwe n GLY 1570Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1xwe n GLY 1570CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xwe n GLU 1571N -0.71 0.00 -3.24 1.61 4.07 -1.26 -4.78 120.64 116.33 1xwe n GLU 1571Ca 0.21 0.00 -0.45 0.00 -0.06 0.00 0.00 57.16 56.85 1xwe n GLU 1571Cb 0.15 -0.16 -0.01 0.00 -0.06 0.00 0.00 31.44 31.36 1xwe n GLU 1571CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xwe s ALA 1572N 0.00 4.32 -0.38 4.31 0.00 -1.26 -4.76 121.76 123.99 1xwe s ALA 1572Ca 0.00 -3.53 -0.27 0.00 0.00 0.00 0.00 51.96 48.17 1xwe s ALA 1572Cb 0.00 -3.68 0.04 0.00 0.00 0.00 0.00 23.12 19.48 1xwe s ALA 1572CO 0.00 -2.38 0.54 0.28 0.00 0.00 0.00 175.76 174.20 1xwe n VAL 1573N 3.60 -6.08 -4.07 0.00 0.31 -1.26 -4.96 118.33 105.87 1xwe n VAL 1573Ca 0.23 0.45 -0.35 0.00 -0.01 0.00 0.00 64.34 64.65 1xwe n VAL 1573Cb 0.43 -4.68 -0.09 0.00 -0.91 0.00 0.00 33.84 28.59 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 -1.72 3.48 0.00 3.52 0.00 -1.26 -4.95 121.76 120.83 1xwe s ALA 1574Ca 0.28 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.51 1xwe s ALA 1574Cb -0.04 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.26 1xwe s ALA 1574CO 0.74 0.38 0.00 -2.00 0.00 0.00 0.00 175.76 174.89 1xwe s GLU 1575N -0.26 0.11 -0.03 0.00 2.56 -1.26 -4.93 118.70 114.89 1xwe s GLU 1575Ca 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 54.97 54.85 1xwe s GLU 1575Cb -0.12 0.04 -0.09 0.00 2.00 0.00 0.00 34.13 35.96 1xwe s GLU 1575CO 0.01 -0.02 2.66 0.36 -0.56 0.00 0.00 175.26 177.72 1xwe n LYS 1576N 2.60 1.47 0.00 4.30 2.85 -1.26 -2.65 118.16 125.47 1xwe n LYS 1576Ca -0.16 -0.53 0.00 0.00 -1.05 0.00 0.00 58.31 56.57 1xwe n LYS 1576Cb 0.58 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 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 1.82 0.00 -2.58 -5.58 5.68 0.17 -4.00 116.55 112.07 1xwe n ASP 1577Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.49 1xwe n ASP 1577Cb 0.67 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 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 0.00 -0.44 -3.89 -1.12 3.41 -1.08 -4.73 113.62 105.77 1xwe n SER 1578Ca 0.00 -0.51 -0.28 0.00 -0.26 0.00 0.00 58.87 57.82 1xwe n SER 1578Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 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 -2.18 1.46 0.01 4.33 -6.30 -1.26 -2.72 118.70 112.03 1xwe s GLU 1579Ca 0.00 -0.55 0.05 0.00 -2.50 0.00 0.00 54.97 51.97 1xwe s GLU 1579Cb 0.00 -2.05 -0.03 0.00 0.00 0.00 0.00 34.13 32.05 1xwe s GLU 1579CO 0.00 -0.44 -0.13 0.96 0.02 0.00 0.00 175.26 175.67 1xwe s ILE 1580N 1.62 3.18 -0.15 -3.70 -4.36 -0.92 -5.01 121.20 111.86 1xwe s ILE 1580Ca 0.00 -0.92 0.00 0.00 -0.26 0.00 0.00 60.65 59.47 1xwe s ILE 1580Cb -0.15 -2.34 -0.00 0.00 1.25 0.00 0.00 42.46 41.21 1xwe s ILE 1580CO -0.08 0.42 -0.15 -0.89 0.24 0.00 0.00 174.94 174.48 1xwe s THR 1581N -0.91 2.68 -0.34 8.37 2.01 -1.26 -2.23 115.64 123.95 1xwe s THR 1581Ca 0.15 -0.77 -0.19 0.00 0.31 0.00 0.00 61.69 61.19 1xwe s THR 1581Cb -0.11 -2.13 -0.00 0.00 0.01 0.00 0.00 72.50 70.27 1xwe s THR 1581CO 0.05 0.51 0.58 -0.36 -0.69 0.00 0.00 174.62 174.71 1xwe s PHE 1582N 0.80 3.18 -0.24 4.92 0.08 -0.43 -1.28 117.98 125.01 1xwe s PHE 1582Ca -0.05 0.34 -0.12 0.00 0.12 0.00 0.00 56.93 57.21 1xwe s PHE 1582Cb -0.15 -3.01 -0.05 0.00 -0.57 0.00 0.00 43.02 39.25 1xwe s PHE 1582CO 0.00 -0.55 0.25 0.42 -0.10 0.00 0.00 175.22 175.24 1xwe s ILE 1583N 2.55 5.29 0.10 0.64 -1.09 -0.28 -1.52 121.20 126.89 1xwe s ILE 1583Ca 0.22 0.36 -0.06 0.00 -2.23 0.00 0.00 60.65 58.95 1xwe s ILE 1583Cb -0.15 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.12 1xwe s ILE 1583CO 0.13 0.29 0.13 -0.75 -1.23 0.00 0.00 174.94 173.52 1xwe s LYS 1584N 1.32 0.87 0.55 2.79 2.20 -0.46 -2.65 119.74 124.35 1xwe s LYS 1584Ca 0.11 -1.15 0.07 0.00 -0.36 0.00 0.00 55.97 54.65 1xwe s LYS 1584Cb -0.14 0.30 0.07 0.00 -1.51 0.00 0.00 37.83 36.55 1xwe s LYS 1584CO 0.07 -0.26 0.62 1.63 -0.36 0.00 0.00 175.35 177.05 1xwe n LYS 1585N -0.06 0.66 -0.08 4.03 5.02 -1.26 -0.01 118.16 126.45 1xwe n LYS 1585Ca -0.11 -3.12 0.10 0.00 -2.02 0.00 0.00 58.31 53.15 1xwe n LYS 1585Cb 0.62 0.00 0.37 0.00 -0.02 0.00 0.00 35.03 36.00 1xwe n LYS 1585CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1xwe n VAL 1586N -2.03 0.21 -0.03 -0.18 0.24 0.09 -3.93 118.33 112.71 1xwe n VAL 1586Ca 0.09 -0.32 -0.22 0.00 -2.04 0.00 0.00 64.34 61.85 1xwe n VAL 1586Cb 0.59 0.29 -0.13 0.00 -1.47 0.00 0.00 33.84 33.12 1xwe n VAL 1586CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1xwe n THR 1587N 0.23 1.71 -1.55 3.34 -2.24 -1.26 -4.79 114.28 109.72 1xwe n THR 1587Ca 0.15 -0.48 -0.35 0.00 -2.27 0.00 0.00 64.05 61.10 1xwe n THR 1587Cb 0.30 -1.83 -0.03 0.00 -2.10 0.00 0.00 70.33 66.67 1xwe n THR 1587CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe h THR 1589N 7.72 1.09 -0.13 0.00 2.02 -1.68 -3.37 112.91 118.56 1xwe h THR 1589Ca -0.23 -2.84 -0.09 0.00 0.77 0.00 0.00 66.41 64.02 1xwe h THR 1589Cb 1.26 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 70.28 1xwe h THR 1589CO 1.16 0.72 -0.28 0.78 0.37 0.00 0.00 175.52 178.27 1xwe h ASN 1590N 0.03 0.47 -2.31 4.18 4.21 -1.63 -3.42 115.58 117.10 1xwe h ASN 1590Ca -0.23 -0.57 -0.57 0.00 1.21 0.00 0.00 56.30 56.14 1xwe h ASN 1590Cb 1.97 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 39.03 1xwe h ASN 1590CO 0.11 0.95 1.35 0.00 -1.29 0.00 0.00 177.43 178.56 1xwe s ALA 1591N -3.97 2.97 0.04 -0.83 0.00 -1.24 -4.58 121.76 114.15 1xwe s ALA 1591Ca -0.14 0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.55 1xwe s ALA 1591Cb 0.05 -3.99 -0.02 0.00 0.00 0.00 0.00 23.12 19.15 1xwe s ALA 1591CO 0.78 -2.45 -0.07 -1.21 0.00 0.00 0.00 175.76 172.81 1xwe s GLU 1592N 5.67 0.51 0.20 0.00 2.02 -1.26 -4.98 118.70 120.86 1xwe s GLU 1592Ca 0.90 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 55.13 1xwe s GLU 1592Cb -0.31 -0.20 -0.05 0.00 0.10 0.00 0.00 34.13 33.67 1xwe s GLU 1592CO 0.35 0.02 0.05 -0.51 0.02 0.00 0.00 175.26 175.19 1xwe s LEU 1593N -1.68 1.83 -0.01 1.80 1.43 -1.26 -5.09 118.68 115.70 1xwe s LEU 1593Ca -0.09 -1.27 0.01 0.00 -1.03 0.00 0.00 54.13 51.75 1xwe s LEU 1593Cb -0.09 0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.19 1xwe s LEU 1593CO -0.00 -0.66 -0.02 -0.69 0.23 0.00 0.00 176.35 175.21 1xwe s VAL 1594N -3.78 0.21 0.36 -1.59 1.01 -1.26 -5.14 120.40 110.21 1xwe s VAL 1594Ca 0.30 -0.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.98 1xwe s VAL 1594Cb 0.07 -0.23 -0.09 0.00 0.00 0.00 0.00 36.38 36.12 1xwe s VAL 1594CO 0.08 0.10 1.23 -0.75 0.00 0.00 0.00 175.10 175.76 1xwe s LYS 1595N 0.44 4.23 -1.01 2.72 2.20 -1.26 -3.68 119.74 123.37 1xwe s LYS 1595Ca -0.04 2.02 -0.03 0.00 -0.36 0.00 0.00 55.97 57.56 1xwe s LYS 1595Cb -0.07 -2.91 -0.03 0.00 -1.51 0.00 0.00 37.83 33.31 1xwe s LYS 1595CO -0.01 -0.23 0.87 0.41 -0.36 0.00 0.00 175.35 176.03 1xwe n GLY 1596N 0.78 -0.66 3.49 5.54 0.00 -1.00 -4.99 105.19 108.36 1xwe n GLY 1596Ca 0.02 0.30 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.70 0.62 0.13 1.61 3.52 -1.24 -4.95 118.95 113.94 1xwe s ARG 1597Ca 0.23 0.98 -0.31 0.00 -0.13 0.00 0.00 55.73 56.49 1xwe s ARG 1597Cb -0.03 0.16 -0.09 0.00 -1.56 0.00 0.00 34.95 33.43 1xwe s ARG 1597CO 0.67 -0.13 1.45 -0.65 -0.81 0.00 0.00 175.30 175.83 1xwe s GLN 1598N 1.15 4.28 -0.11 5.12 -0.21 -1.25 -1.91 119.66 126.72 1xwe s GLN 1598Ca -0.07 2.18 -0.00 0.00 0.02 0.00 0.00 55.36 57.49 1xwe s GLN 1598Cb -0.06 -3.21 0.02 0.00 1.00 0.00 0.00 33.01 30.76 1xwe s GLN 1598CO -0.11 -0.50 -0.09 0.71 -2.12 0.00 0.00 175.29 173.18 1xwe s TYR 1599N 1.10 1.59 0.29 0.91 2.02 0.93 -2.08 117.35 122.11 1xwe s TYR 1599Ca 0.66 -0.79 -0.28 0.00 -0.37 0.00 0.00 57.07 56.29 1xwe s TYR 1599Cb -0.39 -1.27 -0.09 0.00 -0.40 0.00 0.00 41.96 39.80 1xwe s TYR 1599CO 0.31 -0.51 1.02 -1.17 -1.57 0.00 0.00 175.55 173.63 1xwe s LEU 1600N 1.57 4.50 0.01 -1.29 2.96 -0.02 -1.97 118.68 124.43 1xwe s LEU 1600Ca 0.03 2.08 0.02 0.00 -0.22 0.00 0.00 54.13 56.04 1xwe s LEU 1600Cb -0.13 -3.75 -0.01 0.00 0.50 0.00 0.00 46.19 42.80 1xwe s LEU 1600CO -0.07 -0.09 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.17 1xwe s ILE 1601N -1.30 0.50 -0.30 6.68 1.01 -0.89 -2.03 121.20 124.87 1xwe s ILE 1601Ca 0.46 -0.43 -0.00 0.00 0.00 0.00 0.00 60.65 60.68 1xwe s ILE 1601Cb -0.27 -0.45 0.19 0.00 0.01 0.00 0.00 42.46 41.94 1xwe s ILE 1601CO 0.34 0.03 0.60 -0.32 0.00 0.00 0.00 174.94 175.59 1xwe s MET 1602N -0.44 0.57 -0.07 2.79 1.75 -0.35 -2.03 119.30 121.52 1xwe s MET 1602Ca -0.00 0.97 -0.24 0.00 -1.25 0.00 0.00 55.69 55.17 1xwe s MET 1602Cb -0.04 0.53 0.08 0.00 2.84 0.00 0.00 34.83 38.23 1xwe s MET 1602CO -0.00 -0.65 1.07 0.41 -0.65 0.00 0.00 175.02 175.19 1xwe n GLY 1603N 5.43 0.17 3.42 2.11 0.00 -0.87 -1.02 105.19 114.42 1xwe n GLY 1603Ca -0.01 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.77 -0.47 -0.06 1.61 4.76 -1.10 -0.46 118.16 121.66 1xwe n LYS 1604Ca 0.05 -0.10 -0.03 0.00 -2.87 0.00 0.00 58.31 55.36 1xwe n LYS 1604Cb 0.45 -1.87 0.03 0.00 -1.84 0.00 0.00 35.03 31.80 1xwe n LYS 1604CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1xwe n GLU 1605N -1.93 -1.81 -0.98 1.97 1.02 -1.26 -4.64 120.64 113.01 1xwe n GLU 1605Ca 0.06 -0.16 -0.01 0.00 -0.02 0.00 0.00 57.16 57.03 1xwe n GLU 1605Cb 0.54 -0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.79 1xwe n GLU 1605CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xwe n ALA 1606N -3.24 0.04 -3.40 0.62 0.00 -1.26 -4.80 120.51 108.48 1xwe n ALA 1606Ca -0.02 -0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.12 1xwe n ALA 1606Cb 0.06 0.02 0.03 0.00 0.00 0.00 0.00 19.45 19.56 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 -3.68 0.00 4.77 -1.20 -4.96 117.00 111.93 1xwe n LEU 1607Ca 0.01 -2.00 -0.11 0.00 -0.03 0.00 0.00 56.01 53.88 1xwe n LEU 1607Cb 0.03 -0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 40.82 1xwe n LEU 1607CO 0.02 -0.58 -0.05 -1.58 -1.33 0.00 0.00 177.39 173.87 1xwe s GLN 1608N -3.83 0.25 0.00 3.23 0.74 -1.25 -4.12 119.66 114.68 1xwe s GLN 1608Ca 0.35 0.82 0.00 0.00 0.05 0.00 0.00 55.36 56.58 1xwe s GLN 1608Cb -0.03 0.08 0.00 0.00 1.10 0.00 0.00 33.01 34.16 1xwe s GLN 1608CO 0.22 -0.24 0.00 1.51 -0.55 0.00 0.00 175.29 176.23 1xwe n ILE 1609N 5.03 0.00 -2.64 -2.34 0.13 -1.24 -4.93 119.36 113.36 1xwe n ILE 1609Ca -0.12 -0.05 -0.04 0.00 -1.10 0.00 0.00 62.75 61.43 1xwe n ILE 1609Cb 0.51 0.74 -0.04 0.00 -0.84 0.00 0.00 39.64 40.01 1xwe n ILE 1609CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1xwe n LYS 1610N -0.17 -4.31 0.00 9.51 4.81 -1.26 -4.79 118.16 121.95 1xwe n LYS 1610Ca 0.00 3.28 0.00 0.00 -0.87 0.00 0.00 58.31 60.72 1xwe n LYS 1610Cb 0.00 -5.07 0.00 0.00 0.02 0.00 0.00 35.03 29.98 1xwe n LYS 1610CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1xwe n TYR 1611N 1.50 0.00 -3.58 5.64 9.36 0.51 -4.78 117.16 125.81 1xwe n TYR 1611Ca -0.32 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 60.61 1xwe n TYR 1611Cb 0.50 -0.13 -0.16 0.00 -0.63 0.00 0.00 39.34 38.92 1xwe n TYR 1611CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1xwe s ASN 1612N -1.86 3.25 -0.75 2.98 0.01 -1.26 -4.83 114.94 112.48 1xwe s ASN 1612Ca 0.00 -1.12 0.00 0.00 -0.71 0.00 0.00 52.86 51.03 1xwe s ASN 1612Cb 0.00 -0.37 0.00 0.00 0.41 0.00 0.00 41.25 41.29 1xwe s ASN 1612CO 0.00 -0.41 0.00 0.00 -1.51 0.00 0.00 177.10 175.18 1xwe n ALA 1613N 5.22 -0.11 -3.55 0.60 0.00 -1.26 -4.90 120.51 116.52 1xwe n ALA 1613Ca -0.06 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 1xwe n ALA 1613Cb 0.44 -1.68 -0.09 0.00 0.00 0.00 0.00 19.45 18.13 1xwe n ALA 1613CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xwe s SER 1614N -2.25 -0.65 0.51 0.00 0.01 -1.26 -5.15 113.70 104.91 1xwe s SER 1614Ca 0.00 1.16 -0.23 0.00 1.31 0.00 0.00 55.95 58.19 1xwe s SER 1614Cb 0.00 1.12 -0.06 0.00 0.21 0.00 0.00 66.02 67.29 1xwe s SER 1614CO 0.00 -0.20 1.38 0.72 0.41 0.00 0.00 173.24 175.55 1xwe s PHE 1615N 0.79 2.36 -0.49 2.43 -0.12 -1.26 -0.37 117.98 121.33 1xwe s PHE 1615Ca -0.04 1.33 -0.09 0.00 -0.05 0.00 0.00 56.93 58.08 1xwe s PHE 1615Cb -0.05 -3.84 0.12 0.00 -0.63 0.00 0.00 43.02 38.62 1xwe s PHE 1615CO -0.06 -2.89 0.37 0.50 -0.05 0.00 0.00 175.22 173.08 1xwe s ARG 1616N -2.73 2.53 -0.66 1.99 3.52 -1.26 -4.61 118.95 117.74 1xwe s ARG 1616Ca 0.67 -1.81 -0.17 0.00 -0.13 0.00 0.00 55.73 54.29 1xwe s ARG 1616Cb -0.41 -3.95 0.13 0.00 -1.56 0.00 0.00 34.95 29.15 1xwe s ARG 1616CO 0.51 -1.20 0.71 0.71 -0.81 0.00 0.00 175.30 175.22 1xwe s TYR 1617N 1.29 3.20 -0.14 5.12 2.02 -1.26 -3.71 117.35 123.87 1xwe s TYR 1617Ca 0.06 -1.26 -0.01 0.00 -0.37 0.00 0.00 57.07 55.50 1xwe s TYR 1617Cb -0.26 -3.96 -0.01 0.00 -0.40 0.00 0.00 41.96 37.33 1xwe s TYR 1617CO -0.01 -1.20 -0.12 0.96 -1.57 0.00 0.00 175.55 173.61 1xwe s ILE 1618N 2.00 3.04 -0.33 2.71 -4.36 -1.26 -4.71 121.20 118.29 1xwe s ILE 1618Ca 0.13 -0.66 -0.25 0.00 -0.26 0.00 0.00 60.65 59.61 1xwe s ILE 1618Cb -0.21 -2.29 0.01 0.00 1.25 0.00 0.00 42.46 41.22 1xwe s ILE 1618CO 0.01 0.51 0.88 -0.31 0.24 0.00 0.00 174.94 176.27 1xwe s TYR 1619N 0.53 3.15 0.86 1.37 1.51 -0.40 -3.22 117.35 121.14 1xwe s TYR 1619Ca -0.08 0.85 -0.14 0.00 -1.01 0.00 0.00 57.07 56.69 1xwe s TYR 1619Cb -0.16 -3.43 0.21 0.00 -0.11 0.00 0.00 41.96 38.47 1xwe s TYR 1619CO 0.04 -0.68 0.90 -0.35 -1.11 0.00 0.00 175.55 174.34 1xwe n PRO 1620N 6.49 -1.99 -3.46 -1.71 -0.04 -1.26 -1.12 135.00 131.92 1xwe n PRO 1620Ca 0.06 -1.41 -0.27 0.00 -0.04 0.00 0.00 63.50 61.83 1xwe n PRO 1620Cb 0.48 -1.16 -0.11 0.00 -0.04 0.00 0.00 33.50 32.67 1xwe n PRO 1620CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xwe s LEU 1621N 0.00 1.67 0.58 1.53 1.43 -1.09 -4.65 118.68 118.16 1xwe s LEU 1621Ca 0.55 -2.99 0.10 0.00 -1.03 0.00 0.00 54.13 50.75 1xwe s LEU 1621Cb -0.04 -0.55 0.09 0.00 0.03 0.00 0.00 46.19 45.72 1xwe s LEU 1621CO 0.41 -0.19 0.81 -1.81 0.23 0.00 0.00 176.35 175.80 1xwe s ASP 1622N 0.09 5.07 0.58 2.29 1.01 -1.26 -3.61 116.67 120.83 1xwe s ASP 1622Ca 0.30 -0.88 0.38 0.00 0.71 0.00 0.00 52.55 53.06 1xwe s ASP 1622Cb -0.02 0.36 1.93 0.00 1.01 0.00 0.00 42.92 46.20 1xwe s ASP 1622CO -0.16 -1.38 2.16 0.77 0.21 0.00 0.00 175.17 176.77 1xwe h SER 1623N 0.15 0.00 1.11 0.27 4.64 -1.91 -0.44 113.55 117.37 1xwe h SER 1623Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1xwe h SER 1623Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1xwe h SER 1623CO 0.40 0.00 -0.38 0.00 -0.87 0.00 0.00 176.83 175.99 1xwe n LEU 1624N -2.97 0.75 -4.55 5.97 -0.00 -1.26 -4.32 117.00 110.62 1xwe n LEU 1624Ca -0.02 0.37 -0.36 0.00 -0.00 0.00 0.00 56.01 56.00 1xwe n LEU 1624Cb 0.15 -0.24 -0.03 0.00 -0.00 0.00 0.00 43.42 43.30 1xwe n LEU 1624CO 0.21 -0.11 1.55 -0.89 -0.00 0.00 0.00 177.39 178.15 1xwe s THR 1625N -3.14 3.39 -0.24 1.47 2.01 -0.20 -4.63 115.64 114.30 1xwe s THR 1625Ca 0.08 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.89 1xwe s THR 1625Cb 0.13 -3.99 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 1xwe s THR 1625CO 0.67 -0.95 1.53 0.86 -0.69 0.00 0.00 174.62 176.04 1xwe s TRP 1626N 9.13 2.26 -0.13 4.92 -0.11 -0.19 -4.70 118.94 130.12 1xwe s TRP 1626Ca 0.67 0.63 0.02 0.00 1.22 0.00 0.00 56.10 58.63 1xwe s TRP 1626Cb -0.11 -3.95 0.01 0.00 -1.50 0.00 0.00 33.47 27.92 1xwe s TRP 1626CO 0.16 -2.62 -0.19 0.42 -4.62 0.00 0.00 176.95 170.11 1xwe s ILE 1627N 4.94 1.81 -0.15 5.86 1.01 -1.26 -1.21 121.20 132.20 1xwe s ILE 1627Ca 0.67 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1xwe s ILE 1627Cb -0.23 -1.62 0.03 0.00 0.01 0.00 0.00 42.46 40.65 1xwe s ILE 1627CO 0.27 0.50 -0.11 -0.70 0.00 0.00 0.00 174.94 174.90 1xwe s GLU 1628N 0.92 1.98 0.02 2.79 2.56 -0.86 -4.02 118.70 122.10 1xwe s GLU 1628Ca -0.06 -0.52 -0.30 0.00 0.00 0.00 0.00 54.97 54.08 1xwe s GLU 1628Cb -0.15 -2.02 -0.08 0.00 2.00 0.00 0.00 34.13 33.88 1xwe s GLU 1628CO -0.02 -0.29 1.88 -0.47 -0.56 0.00 0.00 175.26 175.79 1xwe s TYR 1629N 1.54 1.51 -0.38 5.30 5.04 -1.26 -0.84 117.35 128.25 1xwe s TYR 1629Ca 0.04 -0.27 -0.08 0.00 -2.44 0.00 0.00 57.07 54.31 1xwe s TYR 1629Cb -0.14 -4.16 0.06 0.00 0.35 0.00 0.00 41.96 38.07 1xwe s TYR 1629CO -0.09 -5.11 0.19 -0.46 -1.34 0.00 0.00 175.55 168.73 1xwe s TRP 1630N 4.24 3.30 -0.40 4.97 -0.11 -0.88 -4.79 118.94 125.26 1xwe s TRP 1630Ca 0.84 -1.44 -0.39 0.00 1.22 0.00 0.00 56.10 56.34 1xwe s TRP 1630Cb -0.41 -2.63 -0.14 0.00 -1.50 0.00 0.00 33.47 28.79 1xwe s TRP 1630CO 0.38 -0.78 2.15 -2.30 -4.62 0.00 0.00 176.95 171.78 1xwe n PRO 1631N 4.88 0.69 -0.16 5.86 -0.02 -1.26 -3.97 135.00 141.02 1xwe n PRO 1631Ca -0.11 0.19 0.25 0.00 -2.02 0.00 0.00 63.50 61.81 1xwe n PRO 1631Cb 0.44 -2.09 0.67 0.00 -0.02 0.00 0.00 33.50 32.50 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 10.87 0.09 -6.52 -0.52 2.43 -1.95 -3.40 114.38 115.37 1xwe h ARG 1632Ca -0.22 -0.01 -0.68 0.00 -0.81 0.00 0.00 59.98 58.26 1xwe h ARG 1632Cb 1.36 -0.02 -0.21 0.00 -0.42 0.00 0.00 29.97 30.68 1xwe h ARG 1632CO 1.04 0.06 -0.78 -0.51 -1.51 0.00 0.00 179.97 178.26 1xwe s ASP 1633N -5.75 3.97 -0.06 -3.80 1.11 -1.26 -5.02 116.67 105.86 1xwe s ASP 1633Ca -0.06 -0.37 0.07 0.00 0.18 0.00 0.00 52.55 52.37 1xwe s ASP 1633Cb 0.21 -0.71 -0.09 0.00 1.07 0.00 0.00 42.92 43.40 1xwe s ASP 1633CO 0.77 0.26 0.04 0.35 1.18 0.00 0.00 175.17 177.77 1xwe n THR 1634N 1.56 0.43 0.12 -1.27 -2.24 -1.26 -4.57 114.28 107.04 1xwe n THR 1634Ca -0.16 -0.29 -0.08 0.00 -2.27 0.00 0.00 64.05 61.26 1xwe n THR 1634Cb 0.52 -0.65 0.09 0.00 -2.10 0.00 0.00 70.33 68.19 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 -2.20 1.77 0.17 4.28 -2.24 -1.26 -4.46 114.28 110.33 1xwe n THR 1635Ca -0.10 -0.74 -0.10 0.00 -2.27 0.00 0.00 64.05 60.84 1xwe n THR 1635Cb 0.66 -0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 68.12 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 -3.94 -1.93 -0.06 0.00 3.41 -1.26 -5.00 113.62 104.83 1xwe n SER 1637Ca -0.07 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1xwe n SER 1637Cb 0.24 2.01 0.00 0.00 -0.26 0.00 0.00 64.21 66.21 1xwe n SER 1637CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1xwe n SER 1638N -3.02 0.00 -0.74 4.04 2.88 -1.26 -4.94 113.62 110.58 1xwe n SER 1638Ca 0.00 -0.63 0.06 0.00 -1.33 0.00 0.00 58.87 56.97 1xwe n SER 1638Cb 0.00 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xwe n GLN 1640N 0.60 1.73 -0.05 0.00 10.64 -1.26 -4.12 117.38 124.92 1xwe n GLN 1640Ca 0.13 -0.72 -0.11 0.00 -1.83 0.00 0.00 57.00 54.47 1xwe n GLN 1640Cb 0.35 -1.46 -0.05 0.00 -0.86 0.00 0.00 30.24 28.22 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xwe h ALA 1641N 2.84 0.24 0.00 2.61 0.00 -1.95 -2.28 119.26 120.71 1xwe h ALA 1641Ca 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xwe h ALA 1641Cb 0.61 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xwe h ALA 1641CO 0.07 -0.16 -0.00 0.35 0.00 0.00 0.00 179.25 179.51 1xwe h PHE 1642N 0.13 0.00 0.00 0.00 3.57 -1.94 -1.44 116.94 117.26 1xwe h PHE 1642Ca 0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1xwe h PHE 1642Cb 0.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1xwe h PHE 1642CO -0.01 0.00 0.00 1.28 -2.23 0.00 0.00 178.31 177.36 1xwe n LEU 1643N -3.10 0.00 -0.06 0.59 4.77 -0.86 -3.06 117.00 115.28 1xwe n LEU 1643Ca -0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.77 1xwe n LEU 1643Cb 0.18 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.14 1xwe n LEU 1643CO 0.24 0.00 -1.06 0.00 -1.33 0.00 0.00 177.39 175.24 1xwe n ALA 1644N -0.89 1.14 0.28 -1.18 0.00 -0.54 -4.13 120.51 115.19 1xwe n ALA 1644Ca 0.15 -0.83 0.18 0.00 0.00 0.00 0.00 53.44 52.94 1xwe n ALA 1644Cb 0.07 -0.41 0.76 0.00 0.00 0.00 0.00 19.45 19.87 1xwe n ALA 1644CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1xwe h ASN 1645N 0.02 0.00 0.61 0.00 2.35 -1.68 -2.43 115.58 114.46 1xwe h ASN 1645Ca -0.50 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.10 1xwe h ASN 1645Cb 1.97 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.32 1xwe h ASN 1645CO 0.00 0.02 -0.69 -0.07 -1.65 0.00 0.00 177.43 175.04 1xwe h LEU 1646N 0.00 0.08 -0.90 1.61 3.38 -1.72 -3.09 115.31 114.66 1xwe h LEU 1646Ca -0.00 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1xwe h LEU 1646Cb 0.44 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1xwe h LEU 1646CO 0.00 0.74 -0.14 -0.78 0.09 0.00 0.00 178.44 178.35 1xwe h ASP 1647N 0.04 0.65 -0.45 -0.43 1.82 -1.59 0.20 116.42 116.66 1xwe h ASP 1647Ca -0.01 -0.19 -0.06 0.00 -0.39 0.00 0.00 57.03 56.38 1xwe h ASP 1647Cb 1.21 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 41.03 1xwe h ASP 1647CO 0.09 0.81 0.10 -0.08 -1.61 0.00 0.00 179.24 178.55 1xwe h GLU 1648N 0.60 0.81 0.00 0.28 4.81 -1.58 -2.31 114.58 117.18 1xwe h GLU 1648Ca 0.10 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1xwe h GLU 1648Cb 0.58 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1xwe h GLU 1648CO 0.04 0.75 -0.59 0.35 -0.73 0.00 0.00 179.01 178.83 1xwe h PHE 1649N 0.77 0.00 0.29 0.92 3.57 -1.47 -3.24 116.94 117.78 1xwe h PHE 1649Ca 0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1xwe h PHE 1649Cb 0.33 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 1xwe h PHE 1649CO 0.02 0.00 -0.50 0.00 -2.23 0.00 0.00 178.31 175.60 1xwe h ALA 1650N 2.49 -1.01 -0.01 2.41 0.00 -0.01 -2.28 119.26 120.85 1xwe h ALA 1650Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xwe h ALA 1650Cb 0.75 0.79 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1xwe h ALA 1650CO 0.00 -1.13 -0.38 -1.91 0.00 0.00 0.00 179.25 175.83 1xwe n GLU 1651N -5.52 0.56 0.18 0.00 4.07 -1.24 -3.81 120.64 114.88 1xwe n GLU 1651Ca -0.10 -0.34 0.13 0.00 -0.06 0.00 0.00 57.16 56.78 1xwe n GLU 1651Cb 0.43 -1.49 0.28 0.00 -0.06 0.00 0.00 31.44 30.60 1xwe n GLU 1651CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1xwe h ASP 1652N 0.84 0.00 0.17 4.31 3.58 -1.51 -0.30 116.42 123.51 1xwe h ASP 1652Ca 0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 1xwe h ASP 1652Cb 0.52 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 1xwe h ASP 1652CO 0.00 0.00 -1.94 0.00 -2.88 0.00 0.00 179.24 174.42 1xwe n ILE 1653N -2.77 0.54 -0.11 2.25 0.13 -0.89 -1.42 119.36 117.09 1xwe n ILE 1653Ca 0.04 -0.62 -0.22 0.00 -1.10 0.00 0.00 62.75 60.86 1xwe n ILE 1653Cb 0.48 -0.23 -0.11 0.00 -0.84 0.00 0.00 39.64 38.94 1xwe n ILE 1653CO 0.00 0.00 0.00 0.33 2.80 0.00 0.00 176.55 179.68 1xwe n PHE 1654N -2.49 0.92 -0.08 9.51 -0.00 -1.21 -3.00 117.46 121.11 1xwe n PHE 1654Ca -0.12 0.40 -0.13 0.00 -0.00 0.00 0.00 57.45 57.60 1xwe n PHE 1654Cb 0.75 -1.08 -0.09 0.00 -0.00 0.00 0.00 39.48 39.06 1xwe n PHE 1654CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1xwe h LEU 1655N -1.00 0.00 -1.58 -2.13 3.38 -1.28 -3.35 115.31 109.35 1xwe h LEU 1655Ca -0.38 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.07 1xwe h LEU 1655Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1xwe h LEU 1655CO -0.23 1.04 0.00 0.59 0.09 0.00 0.00 178.44 179.94 1xwe n ASN 1656N -4.58 2.29 -4.58 -0.43 5.03 -1.15 -4.97 115.26 106.87 1xwe n ASN 1656Ca -0.15 -2.00 -0.41 0.00 0.87 0.00 0.00 54.58 52.89 1xwe n ASN 1656Cb 0.44 -0.29 0.02 0.00 -1.02 0.00 0.00 39.78 38.93 1xwe n ASN 1656CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xwe n GLY 1657N 1.18 -0.50 0.00 7.41 0.00 -0.51 -4.75 105.19 108.02 1xwe n GLY 1657Ca 0.14 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32