#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwe n SER 1509N 0.00 0.00 0.11 1.61 2.88 -1.26 -4.89 113.62 112.07 1xwe n SER 1509Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1xwe n SER 1509Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1xwe n SER 1509CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1xwe h HIS 1510N 0.00 0.82 -3.23 0.66 -0.00 -1.93 -3.40 115.15 108.07 1xwe h HIS 1510Ca 0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 60.37 59.82 1xwe h HIS 1510Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 1xwe h HIS 1510CO 0.00 1.41 0.00 0.00 -0.00 0.00 0.00 177.93 179.34 1xwe n MET 1511N -3.70 2.71 0.00 2.45 -0.00 -1.26 -3.56 117.12 113.76 1xwe n MET 1511Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.58 1xwe n MET 1511Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 34.23 1xwe n MET 1511CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xwe n ALA 1512N -3.00 0.00 0.02 3.17 0.00 -1.25 -3.88 120.51 115.56 1xwe n ALA 1512Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xwe n ALA 1512Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xwe n ALA 1512CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xwe n ASP 1513N 3.53 0.02 -2.53 0.00 8.00 -1.26 -4.82 116.55 119.50 1xwe n ASP 1513Ca 0.00 0.06 -0.14 0.00 0.71 0.00 0.00 54.79 55.41 1xwe n ASP 1513Cb 0.00 0.03 -0.00 0.00 -0.02 0.00 0.00 41.12 41.13 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 -0.88 0.86 3.57 0.00 0.00 -1.26 -4.67 105.19 102.81 1xwe n GLY 1515Ca -0.14 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.37 1xwe n GLY 1515CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xwe n GLN 1516N 0.00 1.03 -2.93 1.61 7.27 -1.23 -4.45 117.38 118.67 1xwe n GLN 1516Ca 0.00 0.37 -0.21 0.00 0.07 0.00 0.00 57.00 57.23 1xwe n GLN 1516Cb 0.00 -1.91 0.08 0.00 2.41 0.00 0.00 30.24 30.82 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 -0.02 2.08 0.38 3.69 -1.94 -1.26 -4.56 119.30 117.68 1xwe s MET 1517Ca 0.79 -1.57 -0.04 0.00 -1.71 0.00 0.00 55.69 53.16 1xwe s MET 1517Cb -0.93 -2.56 -0.04 0.00 2.01 0.00 0.00 34.83 33.31 1xwe s MET 1517CO 0.50 -1.08 0.66 -0.65 -0.01 0.00 0.00 175.02 174.44 1xwe s GLN 1518N -4.82 3.58 1.10 2.03 -1.52 -0.61 -5.00 119.66 114.42 1xwe s GLN 1518Ca 0.64 0.03 -0.14 0.00 -1.95 0.00 0.00 55.36 53.93 1xwe s GLN 1518Cb -0.05 -2.53 0.24 0.00 -0.22 0.00 0.00 33.01 30.45 1xwe s GLN 1518CO 0.41 0.02 1.07 -1.21 -0.25 0.00 0.00 175.29 175.34 1xwe s GLU 1519N -4.21 -0.40 0.00 2.91 0.41 -1.26 -4.76 118.70 111.40 1xwe s GLU 1519Ca 0.45 0.42 0.00 0.00 -0.41 0.00 0.00 54.97 55.43 1xwe s GLU 1519Cb -0.10 -1.65 0.00 0.00 -1.78 0.00 0.00 34.13 30.60 1xwe s GLU 1519CO 0.37 -3.27 0.00 0.39 -0.49 0.00 0.00 175.26 172.26 1xwe n GLU 1520N -4.53 2.55 -1.53 1.61 -0.58 -1.26 -4.55 120.64 112.34 1xwe n GLU 1520Ca 0.06 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.40 1xwe n GLU 1520Cb 0.57 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.39 1xwe n GLU 1520CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1xwe n LEU 1521N 0.00 2.07 -3.71 -4.62 4.77 -1.26 -4.90 117.00 109.35 1xwe n LEU 1521Ca 0.00 -0.13 -0.12 0.00 -0.03 0.00 0.00 56.01 55.73 1xwe n LEU 1521Cb 0.00 -1.41 -0.12 0.00 -2.33 0.00 0.00 43.42 39.56 1xwe n LEU 1521CO 0.00 -1.16 -0.08 -1.81 -1.33 0.00 0.00 177.39 173.02 1xwe s ASP 1522N 10.26 -0.22 0.00 -1.43 1.01 -1.26 -5.01 116.67 120.02 1xwe s ASP 1522Ca 1.07 0.64 0.14 0.00 0.71 0.00 0.00 52.55 55.11 1xwe s ASP 1522Cb -0.51 0.58 0.58 0.00 1.01 0.00 0.00 42.92 44.59 1xwe s ASP 1522CO 0.35 -0.19 1.41 0.18 0.21 0.00 0.00 175.17 177.14 1xwe n LEU 1523N 4.47 1.04 0.21 1.23 4.77 -1.26 -3.89 117.00 123.57 1xwe n LEU 1523Ca -0.21 -0.47 0.04 0.00 -0.03 0.00 0.00 56.01 55.34 1xwe n LEU 1523Cb 0.53 -0.10 0.45 0.00 -2.33 0.00 0.00 43.42 41.97 1xwe n LEU 1523CO 0.10 0.24 0.84 0.71 -1.33 0.00 0.00 177.39 177.94 1xwe h THR 1524N 1.26 1.18 -3.13 -5.08 1.35 -1.97 -3.41 112.91 103.10 1xwe h THR 1524Ca 0.00 -0.87 -0.61 0.00 -0.55 0.00 0.00 66.41 64.39 1xwe h THR 1524Cb 0.28 1.46 -0.09 0.00 -1.73 0.00 0.00 68.15 68.08 1xwe h THR 1524CO 0.00 0.25 -0.35 -0.63 -0.25 0.00 0.00 175.52 174.54 1xwe s ILE 1525N -4.48 5.31 0.46 6.82 1.01 -1.25 -5.09 121.20 123.98 1xwe s ILE 1525Ca -0.04 0.50 -0.03 0.00 0.00 0.00 0.00 60.65 61.08 1xwe s ILE 1525Cb 0.15 -3.59 0.10 0.00 0.01 0.00 0.00 42.46 39.13 1xwe s ILE 1525CO 0.71 0.46 0.63 -1.20 0.00 0.00 0.00 174.94 175.55 1xwe n SER 1526N 3.02 0.53 -0.02 3.58 7.64 -1.26 -5.03 113.62 122.07 1xwe n SER 1526Ca -0.14 -1.52 -0.00 0.00 1.01 0.00 0.00 58.87 58.21 1xwe n SER 1526Cb 0.52 -0.44 -0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1xwe n SER 1526CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xwe h ALA 1527N -1.00 -0.04 -0.13 -0.43 0.00 -1.98 -3.31 119.26 112.38 1xwe h ALA 1527Ca -0.21 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1xwe h ALA 1527Cb 0.69 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1xwe h ALA 1527CO 0.19 -0.03 0.12 0.93 0.00 0.00 0.00 179.25 180.45 1xwe h GLU 1528N -0.72 0.00 -0.75 0.00 5.08 -1.97 0.57 114.58 116.79 1xwe h GLU 1528Ca -0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1xwe h GLU 1528Cb 0.02 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1xwe h GLU 1528CO 0.00 0.00 0.48 1.15 -1.00 0.00 0.00 179.01 179.64 1xwe h THR 1529N 0.00 1.13 -0.49 1.13 2.02 -1.97 -2.07 112.91 112.65 1xwe h THR 1529Ca 0.06 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1xwe h THR 1529Cb 0.29 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1xwe h THR 1529CO -0.00 0.17 0.00 -2.11 0.37 0.00 0.00 175.52 173.95 1xwe n ARG 1530N -4.62 2.84 -0.09 6.66 1.85 -0.69 -4.42 116.66 118.19 1xwe n ARG 1530Ca 0.08 -2.30 -0.15 0.00 -1.00 0.00 0.00 57.85 54.48 1xwe n ARG 1530Cb 0.07 -1.40 -0.14 0.00 -1.05 0.00 0.00 32.46 29.95 1xwe n ARG 1530CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1xwe n LYS 1531N 0.93 0.68 0.02 2.89 3.00 0.11 -4.11 118.16 121.67 1xwe n LYS 1531Ca 0.17 0.13 0.03 0.00 -0.00 0.00 0.00 58.31 58.65 1xwe n LYS 1531Cb 0.51 -1.58 0.16 0.00 0.00 0.00 0.00 35.03 34.12 1xwe n LYS 1531CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1xwe n GLN 1532N -3.12 0.02 0.07 1.64 6.02 -0.82 -1.01 117.38 120.18 1xwe n GLN 1532Ca -0.37 0.44 -0.04 0.00 -0.01 0.00 0.00 57.00 57.02 1xwe n GLN 1532Cb 1.06 -1.55 -0.08 0.00 1.02 0.00 0.00 30.24 30.68 1xwe n GLN 1532CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1xwe h THR 1533N 0.00 1.25 0.00 5.09 2.02 -1.83 -3.06 112.91 116.38 1xwe h THR 1533Ca 0.00 -2.86 0.00 0.00 0.77 0.00 0.00 66.41 64.32 1xwe h THR 1533Cb 0.09 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1xwe h THR 1533CO 0.00 0.71 0.00 0.00 0.37 0.00 0.00 175.52 176.60 1xwe n ALA 1534N -2.35 1.24 0.06 6.16 0.00 -0.18 -1.23 120.51 124.22 1xwe n ALA 1534Ca -0.03 0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.56 1xwe n ALA 1534Cb 0.89 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 19.05 1xwe n ALA 1534CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xwe n LYS 1536N 0.04 0.13 -0.14 0.00 5.02 -0.37 -4.91 118.16 117.93 1xwe n LYS 1536Ca 0.01 0.12 -0.08 0.00 -2.02 0.00 0.00 58.31 56.34 1xwe n LYS 1536Cb 0.06 -2.40 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 1xwe n LYS 1536CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1xwe h PRO 1537N -0.98 0.60 0.00 1.97 0.13 -1.93 -1.83 132.00 129.96 1xwe h PRO 1537Ca -0.46 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1xwe h PRO 1537Cb 1.30 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1xwe h PRO 1537CO 0.45 0.46 0.00 -0.85 -0.23 0.00 0.00 178.00 177.84 1xwe n GLU 1538N -4.72 0.69 -3.98 0.86 0.28 -1.26 -4.55 120.64 107.96 1xwe n GLU 1538Ca 0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.67 1xwe n GLU 1538Cb 0.07 -1.32 -0.14 0.00 1.43 0.00 0.00 31.44 31.48 1xwe n GLU 1538CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xwe s ILE 1539N -2.00 2.72 -0.21 3.84 1.09 -0.69 0.18 121.20 126.14 1xwe s ILE 1539Ca 0.21 -1.16 -0.05 0.00 -1.10 0.00 0.00 60.65 58.55 1xwe s ILE 1539Cb 0.10 -2.42 -0.20 0.00 -1.06 0.00 0.00 42.46 38.88 1xwe s ILE 1539CO 0.16 0.15 0.02 0.00 -0.10 0.00 0.00 174.94 175.17 1xwe n ALA 1540N 4.62 1.14 -2.43 9.38 0.00 0.42 -4.53 120.51 129.12 1xwe n ALA 1540Ca -0.16 -0.86 -0.21 0.00 0.00 0.00 0.00 53.44 52.21 1xwe n ALA 1540Cb 0.46 -0.33 -0.10 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.52 1.98 -0.31 0.00 -0.85 -0.63 -4.37 117.35 110.64 1xwe s TYR 1541Ca -0.30 -0.66 0.04 0.00 -0.52 0.00 0.00 57.07 55.63 1xwe s TYR 1541Cb 0.09 -1.10 0.17 0.00 0.38 0.00 0.00 41.96 41.50 1xwe s TYR 1541CO 0.65 0.33 0.49 0.00 -1.52 0.00 0.00 175.55 175.49 1xwe s ALA 1542N -2.96 -1.64 0.29 9.51 0.00 -0.84 -2.19 121.76 123.93 1xwe s ALA 1542Ca 0.29 0.35 0.05 0.00 0.00 0.00 0.00 51.96 52.65 1xwe s ALA 1542Cb 0.03 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 1xwe s ALA 1542CO 0.12 -1.87 0.23 1.52 0.00 0.00 0.00 175.76 175.76 1xwe s TYR 1543N 2.44 1.59 -0.07 0.00 -0.85 -0.69 -0.35 117.35 119.42 1xwe s TYR 1543Ca 0.11 -1.58 0.05 0.00 -0.52 0.00 0.00 57.07 55.14 1xwe s TYR 1543Cb -0.11 -0.68 -0.01 0.00 0.38 0.00 0.00 41.96 41.54 1xwe s TYR 1543CO -0.24 -0.80 -0.24 0.21 -1.52 0.00 0.00 175.55 172.97 1xwe s LYS 1544N -3.66 2.69 0.37 -3.49 2.20 -0.87 -1.32 119.74 115.66 1xwe s LYS 1544Ca 0.40 -0.89 0.05 0.00 -0.36 0.00 0.00 55.97 55.17 1xwe s LYS 1544Cb 0.04 -2.21 -0.03 0.00 -1.51 0.00 0.00 37.83 34.12 1xwe s LYS 1544CO 0.23 0.34 0.17 0.14 -0.36 0.00 0.00 175.35 175.87 1xwe s VAL 1545N -0.05 0.40 -0.02 4.02 -7.23 -0.93 -0.93 120.40 115.66 1xwe s VAL 1545Ca -0.07 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.10 1xwe s VAL 1545Cb -0.15 -2.40 0.03 0.00 0.56 0.00 0.00 36.38 34.42 1xwe s VAL 1545CO 0.05 0.00 0.04 -0.55 -0.31 0.00 0.00 175.10 174.32 1xwe s SER 1546N -3.52 0.08 0.35 4.85 0.15 -0.51 -2.07 113.70 113.04 1xwe s SER 1546Ca 0.30 0.05 -0.28 0.00 0.70 0.00 0.00 55.95 56.71 1xwe s SER 1546Cb 0.03 -0.06 -0.10 0.00 -1.71 0.00 0.00 66.02 64.17 1xwe s SER 1546CO 0.18 -0.13 1.35 -0.63 1.20 0.00 0.00 173.24 175.21 1xwe s ILE 1547N 1.11 2.53 0.00 6.45 -1.09 -1.01 -1.86 121.20 127.34 1xwe s ILE 1547Ca -0.09 0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.86 1xwe s ILE 1547Cb -0.13 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 1xwe s ILE 1547CO -0.03 0.12 0.00 0.35 -1.23 0.00 0.00 174.94 174.15 1xwe n THR 1548N 0.66 0.00 -3.64 2.92 -2.24 -0.94 -2.78 114.28 108.25 1xwe n THR 1548Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1xwe n THR 1548Cb 0.41 0.04 -0.08 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.11 -0.52 -0.10 3.42 0.01 -0.21 -4.90 113.70 110.29 1xwe s SER 1549Ca 0.00 0.74 -0.00 0.00 1.31 0.00 0.00 55.95 58.00 1xwe s SER 1549Cb 0.00 0.74 0.02 0.00 0.21 0.00 0.00 66.02 66.99 1xwe s SER 1549CO 0.00 -0.40 -0.07 -0.63 0.41 0.00 0.00 173.24 172.55 1xwe s ILE 1550N -0.62 0.91 -0.03 1.44 1.01 -1.26 -0.51 121.20 122.14 1xwe s ILE 1550Ca -0.07 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.42 1xwe s ILE 1550Cb -0.03 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 1xwe s ILE 1550CO 0.05 0.34 -0.25 -0.89 0.00 0.00 0.00 174.94 174.19 1xwe s THR 1551N 1.63 2.02 -0.08 2.92 2.01 -0.73 -4.99 115.64 118.41 1xwe s THR 1551Ca 0.03 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 60.96 1xwe s THR 1551Cb -0.13 -1.68 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1xwe s THR 1551CO -0.06 0.57 -0.13 0.54 -0.69 0.00 0.00 174.62 174.85 1xwe s VAL 1552N -0.51 3.16 0.00 3.82 0.11 -1.26 -0.79 120.40 124.93 1xwe s VAL 1552Ca 0.07 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 1xwe s VAL 1552Cb -0.11 -2.28 0.00 0.00 -1.53 0.00 0.00 36.38 32.47 1xwe s VAL 1552CO -0.00 0.57 0.00 -0.62 -3.33 0.00 0.00 175.10 171.72 1xwe n GLU 1553N 2.70 2.53 -0.30 1.54 1.02 -1.25 -4.96 120.64 121.92 1xwe n GLU 1553Ca -0.18 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 56.97 1xwe n GLU 1553Cb 0.52 0.00 0.14 0.00 -0.02 0.00 0.00 31.44 32.08 1xwe n GLU 1553CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1xwe h ASN 1554N 0.00 0.80 0.00 1.62 4.21 -2.03 -3.42 115.58 116.75 1xwe h ASN 1554Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1xwe h ASN 1554Cb 0.00 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.05 1xwe h ASN 1554CO 0.00 0.51 0.00 1.33 -1.29 0.00 0.00 177.43 177.98 1xwe n VAL 1555N -4.65 0.00 -2.52 2.81 0.24 -1.26 -5.05 118.33 107.91 1xwe n VAL 1555Ca 0.12 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.00 1xwe n VAL 1555Cb 0.18 -0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 32.13 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 -2.00 2.47 0.13 6.34 0.08 -1.26 -2.48 117.98 121.25 1xwe s PHE 1556Ca 0.00 0.39 -0.28 0.00 0.12 0.00 0.00 56.93 57.16 1xwe s PHE 1556Cb 0.00 -4.49 -0.07 0.00 -0.57 0.00 0.00 43.02 37.90 1xwe s PHE 1556CO 0.00 -1.76 0.89 0.54 -0.10 0.00 0.00 175.22 174.79 1xwe s VAL 1557N 5.37 4.46 0.16 -0.44 0.11 0.37 -3.76 120.40 126.67 1xwe s VAL 1557Ca 0.45 1.92 0.06 0.00 -2.93 0.00 0.00 61.98 61.49 1xwe s VAL 1557Cb -0.09 -4.25 -0.04 0.00 -1.53 0.00 0.00 36.38 30.47 1xwe s VAL 1557CO 0.24 0.39 0.05 -0.54 -3.33 0.00 0.00 175.10 171.91 1xwe s LYS 1558N -0.38 2.60 -0.28 1.54 -0.14 0.03 -1.19 119.74 121.92 1xwe s LYS 1558Ca 0.42 -0.99 -0.03 0.00 -1.36 0.00 0.00 55.97 54.02 1xwe s LYS 1558Cb -0.23 -2.48 0.09 0.00 -1.68 0.00 0.00 37.83 33.53 1xwe s LYS 1558CO 0.28 0.48 0.10 0.71 -0.76 0.00 0.00 175.35 176.16 1xwe s TYR 1559N -1.68 0.96 -0.11 3.18 2.02 -0.75 -1.77 117.35 119.19 1xwe s TYR 1559Ca 0.28 -1.18 -0.30 0.00 -0.37 0.00 0.00 57.07 55.51 1xwe s TYR 1559Cb -0.10 -1.23 -0.02 0.00 -0.40 0.00 0.00 41.96 40.22 1xwe s TYR 1559CO 0.20 -0.80 1.13 0.21 -1.57 0.00 0.00 175.55 174.72 1xwe s LYS 1560N 1.88 4.34 0.10 -0.62 2.47 0.34 -1.56 119.74 126.68 1xwe s LYS 1560Ca 0.07 1.54 -0.05 0.00 -1.56 0.00 0.00 55.97 55.98 1xwe s LYS 1560Cb -0.17 -3.60 -0.02 0.00 -1.46 0.00 0.00 37.83 32.58 1xwe s LYS 1560CO -0.27 -0.48 0.11 0.00 0.16 0.00 0.00 175.35 174.87 1xwe s ALA 1561N 2.51 0.28 -0.09 3.13 0.00 -0.98 -1.04 121.76 125.57 1xwe s ALA 1561Ca 0.52 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.42 1xwe s ALA 1561Cb -0.21 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 1xwe s ALA 1561CO 0.17 -0.48 -0.00 0.99 0.00 0.00 0.00 175.76 176.43 1xwe s THR 1562N -3.94 4.26 -0.48 0.00 2.01 -0.77 -2.63 115.64 114.09 1xwe s THR 1562Ca 0.12 -0.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 1xwe s THR 1562Cb 0.06 -2.80 0.03 0.00 0.01 0.00 0.00 72.50 69.80 1xwe s THR 1562CO -0.06 0.59 1.15 -0.22 -0.69 0.00 0.00 174.62 175.39 1xwe s LEU 1563N -0.72 3.62 0.08 4.42 2.96 -1.13 -1.42 118.68 126.49 1xwe s LEU 1563Ca 0.11 0.46 -0.21 0.00 -0.22 0.00 0.00 54.13 54.28 1xwe s LEU 1563Cb -0.12 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.93 1xwe s LEU 1563CO 0.02 -1.27 1.60 -0.07 -1.32 0.00 0.00 176.35 175.31 1xwe h LEU 1564N 11.29 0.22 -7.06 -0.68 4.07 -1.35 -0.22 115.31 121.59 1xwe h LEU 1564Ca -0.23 -0.18 0.16 0.00 0.08 0.00 0.00 57.88 57.70 1xwe h LEU 1564Cb 1.06 -0.06 -0.16 0.00 1.08 0.00 0.00 40.66 42.59 1xwe h LEU 1564CO 1.13 0.35 0.58 -0.62 -1.08 0.00 0.00 178.44 178.80 1xwe s ASP 1565N -5.58 -0.28 -0.20 -0.43 2.15 -0.98 -4.33 116.67 107.01 1xwe s ASP 1565Ca -0.14 -0.03 -0.05 0.00 0.43 0.00 0.00 52.55 52.75 1xwe s ASP 1565Cb 0.07 0.32 -0.03 0.00 -0.30 0.00 0.00 42.92 42.98 1xwe s ASP 1565CO 0.70 -0.53 0.01 -0.63 -0.17 0.00 0.00 175.17 174.55 1xwe s ILE 1566N -2.93 4.07 -0.43 4.11 1.01 -1.26 -2.06 121.20 123.70 1xwe s ILE 1566Ca 0.07 -0.27 0.22 0.00 0.00 0.00 0.00 60.65 60.66 1xwe s ILE 1566Cb -0.01 -2.85 -0.27 0.00 0.01 0.00 0.00 42.46 39.35 1xwe s ILE 1566CO -0.07 0.42 0.70 -1.22 0.00 0.00 0.00 174.94 174.77 1xwe n TYR 1567N 4.26 0.05 -3.30 3.97 4.02 -0.35 -4.85 117.16 120.97 1xwe n TYR 1567Ca -0.17 0.02 -0.04 0.00 -0.01 0.00 0.00 57.90 57.69 1xwe n TYR 1567Cb 0.52 -0.33 -0.05 0.00 -0.02 0.00 0.00 39.34 39.45 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 -3.30 0.43 0.44 -0.72 2.47 0.53 -4.57 119.74 115.01 1xwe s LYS 1568Ca -0.01 0.75 -0.21 0.00 -1.56 0.00 0.00 55.97 54.94 1xwe s LYS 1568Cb 0.15 -0.04 -0.13 0.00 -1.46 0.00 0.00 37.83 36.34 1xwe s LYS 1568CO 0.88 -0.61 0.31 2.41 0.16 0.00 0.00 175.35 178.51 1xwe n THR 1569N 5.39 1.25 -4.18 3.43 -1.04 -1.26 -1.99 114.28 115.88 1xwe n THR 1569Ca -0.03 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.13 1xwe n THR 1569Cb 0.50 -0.30 -0.09 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 -1.00 1.90 0.56 3.41 0.00 -1.26 -4.10 107.32 106.83 1xwe s GLY 1570Ca 0.62 -0.76 0.25 0.00 0.00 0.00 0.00 44.72 44.82 1xwe s GLY 1570CO 0.60 -0.26 2.20 0.83 0.00 0.00 0.00 173.10 176.47 1xwe h GLU 1571N 5.86 0.00 -3.03 2.90 4.39 -1.93 -3.09 114.58 119.67 1xwe h GLU 1571Ca -0.44 0.00 -0.78 0.00 0.34 0.00 0.00 59.36 58.48 1xwe h GLU 1571Cb 1.19 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.62 1xwe h GLU 1571CO 0.62 0.00 1.45 0.00 -1.16 0.00 0.00 179.01 179.91 1xwe n ALA 1572N -2.41 5.52 -2.95 3.43 0.00 -1.26 -4.84 120.51 118.00 1xwe n ALA 1572Ca -0.02 -4.53 -0.17 0.00 0.00 0.00 0.00 53.44 48.72 1xwe n ALA 1572Cb 0.12 -2.61 0.02 0.00 0.00 0.00 0.00 19.45 16.98 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 1.96 -2.46 -4.25 0.00 3.14 -1.18 -4.76 118.33 110.77 1xwe n VAL 1573Ca 0.37 0.24 -0.34 0.00 -2.96 0.00 0.00 64.34 61.65 1xwe n VAL 1573Cb 0.33 -2.74 -0.10 0.00 -1.06 0.00 0.00 33.84 30.26 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 -1.03 3.24 -0.08 1.55 0.00 -1.17 -4.96 121.76 119.30 1xwe s ALA 1574Ca 0.16 -0.79 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1xwe s ALA 1574Cb -0.02 -1.66 0.03 0.00 0.00 0.00 0.00 23.12 21.47 1xwe s ALA 1574CO 0.37 0.33 0.19 -2.00 0.00 0.00 0.00 175.76 174.66 1xwe s GLU 1575N -0.06 0.19 0.23 0.00 2.56 -1.26 -4.62 118.70 115.73 1xwe s GLU 1575Ca 0.04 0.35 -0.31 0.00 0.00 0.00 0.00 54.97 55.06 1xwe s GLU 1575Cb -0.13 -0.02 -0.15 0.00 2.00 0.00 0.00 34.13 35.84 1xwe s GLU 1575CO 0.02 -0.09 1.17 1.63 -0.56 0.00 0.00 175.26 177.43 1xwe n LYS 1576N 3.58 1.43 -3.32 4.30 5.02 -1.26 -1.78 118.16 126.12 1xwe n LYS 1576Ca -0.19 0.51 -0.18 0.00 -2.02 0.00 0.00 58.31 56.43 1xwe n LYS 1576Cb 0.56 -2.00 0.06 0.00 -0.02 0.00 0.00 35.03 33.63 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 1.78 -5.25 -1.98 4.39 2.03 -0.09 -5.01 116.55 112.41 1xwe n ASP 1577Ca 0.12 -0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.03 1xwe n ASP 1577Cb 0.28 -3.93 0.00 0.00 -0.72 0.00 0.00 41.12 36.76 1xwe n ASP 1577CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1xwe n SER 1578N -1.92 0.00 -4.03 1.67 2.88 -0.73 -4.76 113.62 106.72 1xwe n SER 1578Ca 0.00 -0.77 -0.31 0.00 -1.33 0.00 0.00 58.87 56.46 1xwe n SER 1578Cb 0.55 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.85 1xwe n SER 1578CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1xwe s GLU 1579N -1.78 2.16 0.03 -1.46 2.56 -1.26 -2.86 118.70 116.09 1xwe s GLU 1579Ca 0.00 -1.03 0.04 0.00 0.00 0.00 0.00 54.97 53.97 1xwe s GLU 1579Cb 0.00 -2.62 -0.04 0.00 2.00 0.00 0.00 34.13 33.47 1xwe s GLU 1579CO 0.00 -0.47 -0.05 0.96 -0.56 0.00 0.00 175.26 175.13 1xwe s ILE 1580N 1.28 3.73 -0.34 -3.70 -4.36 -1.08 -5.03 121.20 111.70 1xwe s ILE 1580Ca -0.04 -0.85 0.00 0.00 -0.26 0.00 0.00 60.65 59.51 1xwe s ILE 1580Cb -0.17 -2.66 0.11 0.00 1.25 0.00 0.00 42.46 40.98 1xwe s ILE 1580CO -0.07 0.32 0.12 -0.89 0.24 0.00 0.00 174.94 174.65 1xwe s THR 1581N -1.08 1.16 0.68 8.37 2.01 -1.26 -2.31 115.64 123.21 1xwe s THR 1581Ca 0.19 -1.74 -0.16 0.00 0.31 0.00 0.00 61.69 60.30 1xwe s THR 1581Cb -0.11 -1.86 0.01 0.00 0.01 0.00 0.00 72.50 70.55 1xwe s THR 1581CO 0.10 -0.71 1.18 -0.36 -0.69 0.00 0.00 174.62 174.14 1xwe s PHE 1582N 1.29 2.28 -0.23 4.92 0.08 -0.60 -2.19 117.98 123.53 1xwe s PHE 1582Ca 0.11 1.57 -0.03 0.00 0.12 0.00 0.00 56.93 58.70 1xwe s PHE 1582Cb -0.19 -3.38 0.10 0.00 -0.57 0.00 0.00 43.02 38.98 1xwe s PHE 1582CO -0.18 -2.25 0.20 -1.50 -0.10 0.00 0.00 175.22 171.39 1xwe s ILE 1583N -2.03 -0.27 0.24 0.64 2.07 0.70 -1.82 121.20 120.74 1xwe s ILE 1583Ca 0.73 -0.28 0.08 0.00 -1.41 0.00 0.00 60.65 59.76 1xwe s ILE 1583Cb -0.27 -0.76 -0.05 0.00 0.13 0.00 0.00 42.46 41.51 1xwe s ILE 1583CO 0.42 -0.34 -0.12 -0.75 -1.91 0.00 0.00 174.94 172.24 1xwe s LYS 1584N 2.27 1.45 -0.01 3.50 2.20 -0.33 -2.64 119.74 126.18 1xwe s LYS 1584Ca 0.07 -1.68 -0.18 0.00 -0.36 0.00 0.00 55.97 53.82 1xwe s LYS 1584Cb -0.15 -1.20 -0.06 0.00 -1.51 0.00 0.00 37.83 34.91 1xwe s LYS 1584CO -0.19 0.15 0.50 0.15 -0.36 0.00 0.00 175.35 175.59 1xwe s LYS 1585N -3.66 4.15 0.00 4.03 3.01 -1.26 -0.48 119.74 125.53 1xwe s LYS 1585Ca 0.26 0.56 0.03 0.00 -1.01 0.00 0.00 55.97 55.81 1xwe s LYS 1585Cb 0.00 -3.29 0.17 0.00 -1.01 0.00 0.00 37.83 33.70 1xwe s LYS 1585CO 0.10 0.51 1.01 1.33 0.51 0.00 0.00 175.35 178.80 1xwe n VAL 1586N 2.35 0.00 -0.04 3.17 0.24 -1.04 -2.65 118.33 120.36 1xwe n VAL 1586Ca -0.10 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.21 1xwe n VAL 1586Cb 0.52 -0.11 0.05 0.00 -1.47 0.00 0.00 33.84 32.83 1xwe n VAL 1586CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1xwe n THR 1587N -0.55 0.92 -0.16 3.34 5.66 -1.26 -4.66 114.28 117.57 1xwe n THR 1587Ca 0.02 -0.96 -0.08 0.00 -3.05 0.00 0.00 64.05 59.99 1xwe n THR 1587Cb 0.01 0.55 0.07 0.00 -1.55 0.00 0.00 70.33 69.41 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 -4.17 -5.79 0.00 0.00 -1.04 -1.26 -3.94 114.28 98.08 1xwe n THR 1589Ca 0.02 -0.65 0.00 0.00 -2.04 0.00 0.00 64.05 61.39 1xwe n THR 1589Cb 0.36 -4.66 0.00 0.00 -1.82 0.00 0.00 70.33 64.21 1xwe n THR 1589CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1xwe n ASN 1590N -3.08 0.00 -4.76 8.00 2.85 -1.26 -4.42 115.26 112.58 1xwe n ASN 1590Ca -0.25 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.80 1xwe n ASN 1590Cb 0.66 0.31 -0.01 0.00 1.24 0.00 0.00 39.78 41.98 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xwe s ALA 1591N -1.00 3.68 -0.29 5.20 0.00 -1.26 -4.93 121.76 123.15 1xwe s ALA 1591Ca 0.00 1.53 0.02 0.00 0.00 0.00 0.00 51.96 53.51 1xwe s ALA 1591Cb 0.00 -3.62 0.18 0.00 0.00 0.00 0.00 23.12 19.68 1xwe s ALA 1591CO 0.00 -0.96 0.54 -2.00 0.00 0.00 0.00 175.76 173.34 1xwe s GLU 1592N -0.94 0.52 0.43 0.00 2.12 -1.26 -5.03 118.70 114.53 1xwe s GLU 1592Ca 0.59 0.60 0.08 0.00 0.36 0.00 0.00 54.97 56.61 1xwe s GLU 1592Cb -0.46 0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.11 1xwe s GLU 1592CO 0.51 -0.89 0.58 -0.51 -0.54 0.00 0.00 175.26 174.42 1xwe s LEU 1593N 2.76 3.61 0.00 2.70 1.02 -1.26 -5.13 118.68 122.38 1xwe s LEU 1593Ca 0.13 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 53.84 1xwe s LEU 1593Cb -0.12 -2.57 -0.01 0.00 0.02 0.00 0.00 46.19 43.51 1xwe s LEU 1593CO -0.24 -0.80 -0.05 0.54 0.02 0.00 0.00 176.35 175.82 1xwe s VAL 1594N -2.38 0.37 0.42 -1.59 0.11 -1.26 -5.14 120.40 110.93 1xwe s VAL 1594Ca 0.55 -0.29 -0.24 0.00 -2.93 0.00 0.00 61.98 59.07 1xwe s VAL 1594Cb -0.10 -0.33 -0.08 0.00 -1.53 0.00 0.00 36.38 34.34 1xwe s VAL 1594CO 0.33 0.04 1.16 -0.75 -3.33 0.00 0.00 175.10 172.56 1xwe s LYS 1595N -0.28 3.95 0.00 1.54 2.20 -1.26 -3.37 119.74 122.53 1xwe s LYS 1595Ca 0.00 1.80 0.00 0.00 -0.36 0.00 0.00 55.97 57.41 1xwe s LYS 1595Cb -0.03 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.73 1xwe s LYS 1595CO -0.00 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1xwe n GLY 1596N 0.54 3.02 3.92 5.54 0.00 -1.12 -5.02 105.19 112.07 1xwe n GLY 1596Ca 0.05 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 1xwe n GLY 1596CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xwe s ARG 1597N 0.00 2.27 0.02 1.61 3.00 -1.22 -4.82 118.95 119.82 1xwe s ARG 1597Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 55.73 55.73 1xwe s ARG 1597Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 34.95 32.81 1xwe s ARG 1597CO 0.00 -1.26 -0.14 -0.65 0.00 0.00 0.00 175.30 173.25 1xwe s GLN 1598N -5.32 2.27 0.06 3.54 -0.21 -1.25 -2.39 119.66 116.36 1xwe s GLN 1598Ca 0.60 -0.87 -0.00 0.00 0.02 0.00 0.00 55.36 55.10 1xwe s GLN 1598Cb -0.11 -2.31 -0.04 0.00 1.00 0.00 0.00 33.01 31.55 1xwe s GLN 1598CO 0.47 0.57 -0.04 0.71 -2.12 0.00 0.00 175.29 174.87 1xwe s TYR 1599N -0.95 0.61 -0.13 0.91 2.02 -0.88 -1.12 117.35 117.82 1xwe s TYR 1599Ca 0.16 -0.97 -0.04 0.00 -0.37 0.00 0.00 57.07 55.84 1xwe s TYR 1599Cb -0.11 -0.41 -0.03 0.00 -0.40 0.00 0.00 41.96 41.01 1xwe s TYR 1599CO 0.06 -0.29 0.02 -1.17 -1.57 0.00 0.00 175.55 172.60 1xwe s LEU 1600N -2.81 3.64 -0.10 -1.29 2.96 -0.10 -2.19 118.68 118.80 1xwe s LEU 1600Ca 0.06 0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 1xwe s LEU 1600Cb 0.05 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 1xwe s LEU 1600CO -0.08 0.28 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.39 1xwe s ILE 1601N -0.26 2.34 -0.23 6.68 1.09 -0.44 -2.27 121.20 128.11 1xwe s ILE 1601Ca 0.07 -0.93 -0.03 0.00 -1.10 0.00 0.00 60.65 58.65 1xwe s ILE 1601Cb -0.12 -1.91 0.11 0.00 -1.06 0.00 0.00 42.46 39.47 1xwe s ILE 1601CO 0.02 0.56 0.25 -0.04 -0.10 0.00 0.00 174.94 175.62 1xwe s MET 1602N 0.19 0.23 -0.02 2.79 -1.94 -0.82 -1.70 119.30 118.04 1xwe s MET 1602Ca -0.13 0.15 -0.15 0.00 -1.71 0.00 0.00 55.69 53.86 1xwe s MET 1602Cb -0.16 -1.03 0.05 0.00 2.01 0.00 0.00 34.83 35.70 1xwe s MET 1602CO 0.07 -0.74 0.66 0.41 -0.01 0.00 0.00 175.02 175.41 1xwe n GLY 1603N 5.32 0.38 3.46 -0.03 0.00 -0.93 -0.52 105.19 112.87 1xwe n GLY 1603Ca -0.05 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.47 -0.55 -0.34 1.61 3.00 0.13 -0.44 118.16 121.09 1xwe n LYS 1604Ca 0.03 -0.12 -0.29 0.00 -0.00 0.00 0.00 58.31 57.93 1xwe n LYS 1604Cb 0.29 -1.97 0.27 0.00 0.00 0.00 0.00 35.03 33.62 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 -2.45 -3.88 -1.68 1.64 0.28 -1.26 -4.52 120.64 108.76 1xwe n GLU 1605Ca 0.07 -1.14 -0.30 0.00 -0.16 0.00 0.00 57.16 55.63 1xwe n GLU 1605Cb 0.54 -1.93 0.19 0.00 1.43 0.00 0.00 31.44 31.67 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 -2.19 1.80 0.56 -1.84 0.00 -1.26 -4.98 121.76 113.86 1xwe s ALA 1606Ca 0.64 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1xwe s ALA 1606Cb -0.15 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1xwe s ALA 1606CO 0.57 -2.69 0.00 1.28 0.00 0.00 0.00 175.76 174.92 1xwe n LEU 1607N -4.01 0.00 -3.01 0.00 7.99 -0.80 -4.89 117.00 112.28 1xwe n LEU 1607Ca 0.14 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 56.13 1xwe n LEU 1607Cb 0.59 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.90 1xwe n LEU 1607CO 0.47 0.00 0.13 -1.58 -1.51 0.00 0.00 177.39 174.90 1xwe s GLN 1608N 1.37 0.87 0.06 3.23 0.74 -1.26 -4.38 119.66 120.28 1xwe s GLN 1608Ca 0.00 -0.54 -0.30 0.00 0.05 0.00 0.00 55.36 54.57 1xwe s GLN 1608Cb 0.00 0.04 -0.18 0.00 1.10 0.00 0.00 33.01 33.97 1xwe s GLN 1608CO 0.00 -1.17 1.55 0.82 -0.55 0.00 0.00 175.29 175.93 1xwe h ILE 1609N 4.86 0.48 -6.93 -2.34 2.04 -1.15 -3.46 117.51 111.02 1xwe h ILE 1609Ca 0.05 -0.13 -0.58 0.00 1.00 0.00 0.00 64.86 65.20 1xwe h ILE 1609Cb 1.16 0.54 -0.26 0.00 -0.74 0.00 0.00 36.82 37.52 1xwe h ILE 1609CO 0.05 0.02 -0.88 2.29 0.00 0.00 0.00 178.15 179.64 1xwe n LYS 1610N -5.36 -0.86 -4.15 2.37 2.85 -1.23 -4.88 118.16 106.90 1xwe n LYS 1610Ca -0.12 0.10 -0.22 0.00 -1.05 0.00 0.00 58.31 57.02 1xwe n LYS 1610Cb 0.30 -3.75 -0.05 0.00 -0.65 0.00 0.00 35.03 30.88 1xwe n LYS 1610CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1xwe s TYR 1611N -3.81 3.03 0.00 5.58 5.04 -1.26 -4.75 117.35 121.18 1xwe s TYR 1611Ca 0.31 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.81 1xwe s TYR 1611Cb -0.18 -1.36 0.00 0.00 0.35 0.00 0.00 41.96 40.76 1xwe s TYR 1611CO 0.94 0.54 0.00 -1.71 -1.34 0.00 0.00 175.55 173.98 1xwe n ASN 1612N -1.09 0.00 -0.03 4.32 2.85 -1.26 -2.57 115.26 117.48 1xwe n ASN 1612Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 1xwe n ASN 1612Cb 0.58 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.60 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xwe n ALA 1613N 4.34 0.56 -0.07 5.20 0.00 -1.26 -4.99 120.51 124.29 1xwe n ALA 1613Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1xwe n ALA 1613Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1xwe n ALA 1613CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1xwe h SER 1614N 0.00 0.13 -4.74 0.00 0.02 -1.87 -3.51 113.55 103.58 1xwe h SER 1614Ca 0.00 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 1xwe h SER 1614Cb 0.51 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1xwe h SER 1614CO 0.00 1.59 -1.00 0.49 -1.14 0.00 0.00 176.83 176.76 1xwe n PHE 1615N -4.17 -4.77 -3.83 3.45 3.72 -1.25 -4.98 117.46 105.63 1xwe n PHE 1615Ca -0.31 2.83 -0.06 0.00 -0.05 0.00 0.00 57.45 59.86 1xwe n PHE 1615Cb 0.78 -3.81 -0.01 0.00 -0.94 0.00 0.00 39.48 35.50 1xwe n PHE 1615CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1xwe s ARG 1616N -0.60 1.70 0.25 -1.08 1.70 -1.26 -4.80 118.95 114.86 1xwe s ARG 1616Ca -0.01 -0.97 0.11 0.00 -0.47 0.00 0.00 55.73 54.38 1xwe s ARG 1616Cb 0.00 0.55 -0.05 0.00 -0.57 0.00 0.00 34.95 34.89 1xwe s ARG 1616CO 0.04 -0.78 -0.17 0.71 -1.08 0.00 0.00 175.30 174.01 1xwe s TYR 1617N -3.44 2.38 0.26 5.89 2.02 -1.26 -0.47 117.35 122.73 1xwe s TYR 1617Ca 0.12 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.52 1xwe s TYR 1617Cb -0.05 -1.07 -0.03 0.00 -0.40 0.00 0.00 41.96 40.41 1xwe s TYR 1617CO 0.06 0.64 0.25 0.96 -1.57 0.00 0.00 175.55 175.90 1xwe s ILE 1618N -2.24 0.00 -0.18 2.71 -4.36 -1.26 -4.79 121.20 111.07 1xwe s ILE 1618Ca 0.28 -1.90 -0.01 0.00 -0.26 0.00 0.00 60.65 58.76 1xwe s ILE 1618Cb -0.06 -2.49 0.05 0.00 1.25 0.00 0.00 42.46 41.21 1xwe s ILE 1618CO 0.15 0.00 -0.04 -0.31 0.24 0.00 0.00 174.94 174.97 1xwe s TYR 1619N -3.78 1.75 0.77 1.37 1.51 -0.93 -1.90 117.35 116.14 1xwe s TYR 1619Ca 0.37 -1.18 -0.11 0.00 -1.01 0.00 0.00 57.07 55.14 1xwe s TYR 1619Cb 0.04 -1.33 0.06 0.00 -0.11 0.00 0.00 41.96 40.62 1xwe s TYR 1619CO 0.18 -0.64 1.14 -1.25 -1.11 0.00 0.00 175.55 173.86 1xwe s PRO 1620N 1.62 2.26 -0.39 -1.71 0.04 -1.26 -0.21 135.00 135.35 1xwe s PRO 1620Ca -0.01 0.19 0.04 0.00 0.04 0.00 0.00 61.00 61.26 1xwe s PRO 1620Cb -0.16 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.50 1xwe s PRO 1620CO -0.07 -1.39 0.11 -0.51 0.04 0.00 0.00 177.00 175.17 1xwe s LEU 1621N -5.48 4.64 0.44 -3.56 2.01 -1.08 -4.76 118.68 110.88 1xwe s LEU 1621Ca 0.61 -2.40 0.03 0.00 0.01 0.00 0.00 54.13 52.38 1xwe s LEU 1621Cb -0.11 -1.63 -0.03 0.00 0.01 0.00 0.00 46.19 44.43 1xwe s LEU 1621CO 0.49 -0.34 0.06 -1.81 1.01 0.00 0.00 176.35 175.77 1xwe s ASP 1622N 0.57 3.32 0.50 2.29 1.01 -1.26 -4.27 116.67 118.83 1xwe s ASP 1622Ca 0.13 -1.60 0.25 0.00 0.71 0.00 0.00 52.55 52.03 1xwe s ASP 1622Cb -0.21 0.36 1.35 0.00 1.01 0.00 0.00 42.92 45.43 1xwe s ASP 1622CO -0.06 -0.82 2.05 -1.28 0.21 0.00 0.00 175.17 175.27 1xwe h SER 1623N 1.67 0.00 0.41 0.27 0.87 -1.81 -2.07 113.55 112.89 1xwe h SER 1623Ca -0.40 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.01 1xwe h SER 1623Cb 1.28 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1xwe h SER 1623CO 0.67 0.14 -0.65 0.17 -0.53 0.00 0.00 176.83 176.62 1xwe h LEU 1624N 0.00 0.26 -8.52 2.23 8.10 -1.96 -3.41 115.31 112.01 1xwe h LEU 1624Ca -0.00 -0.16 -0.55 0.00 0.11 0.00 0.00 57.88 57.28 1xwe h LEU 1624Cb 0.34 -0.08 -0.07 0.00 -0.44 0.00 0.00 40.66 40.41 1xwe h LEU 1624CO 0.02 0.84 1.05 -0.89 -4.11 0.00 0.00 178.44 175.35 1xwe s THR 1625N -3.65 3.85 0.01 0.15 2.01 -0.78 -4.71 115.64 112.52 1xwe s THR 1625Ca -0.04 0.69 -0.30 0.00 0.31 0.00 0.00 61.69 62.35 1xwe s THR 1625Cb 0.12 -4.67 -0.08 0.00 0.01 0.00 0.00 72.50 67.87 1xwe s THR 1625CO 0.80 -1.42 1.90 0.86 -0.69 0.00 0.00 174.62 176.08 1xwe s TRP 1626N 5.61 1.42 -0.24 4.92 -0.11 0.33 -4.68 118.94 126.19 1xwe s TRP 1626Ca 0.44 -0.31 0.00 0.00 1.22 0.00 0.00 56.10 57.45 1xwe s TRP 1626Cb -0.09 -4.17 0.06 0.00 -1.50 0.00 0.00 33.47 27.77 1xwe s TRP 1626CO 0.22 -5.20 -0.02 0.42 -4.62 0.00 0.00 176.95 167.76 1xwe s ILE 1627N 4.43 1.31 0.08 5.86 1.01 -1.26 -1.95 121.20 130.69 1xwe s ILE 1627Ca 0.85 -1.15 0.07 0.00 0.00 0.00 0.00 60.65 60.43 1xwe s ILE 1627Cb -0.40 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1xwe s ILE 1627CO 0.39 -0.18 -0.15 -0.70 0.00 0.00 0.00 174.94 174.30 1xwe s GLU 1628N 1.48 2.04 -0.44 2.79 2.12 -0.96 -1.57 118.70 124.16 1xwe s GLU 1628Ca -0.03 -1.03 -0.22 0.00 0.36 0.00 0.00 54.97 54.05 1xwe s GLU 1628Cb -0.18 -2.22 0.02 0.00 0.26 0.00 0.00 34.13 32.01 1xwe s GLU 1628CO -0.08 0.52 0.70 -0.47 -0.54 0.00 0.00 175.26 175.40 1xwe s TYR 1629N -1.07 3.03 -0.46 5.30 5.04 -1.26 -0.92 117.35 127.02 1xwe s TYR 1629Ca 0.17 0.04 -0.17 0.00 -2.44 0.00 0.00 57.07 54.68 1xwe s TYR 1629Cb -0.11 -3.48 0.05 0.00 0.35 0.00 0.00 41.96 38.77 1xwe s TYR 1629CO 0.09 -0.92 0.43 -0.46 -1.34 0.00 0.00 175.55 173.36 1xwe s TRP 1630N 3.02 3.19 -0.52 4.97 -0.11 -0.27 -4.86 118.94 124.35 1xwe s TRP 1630Ca 0.26 -0.67 -0.34 0.00 1.22 0.00 0.00 56.10 56.56 1xwe s TRP 1630Cb -0.13 -3.08 -0.14 0.00 -1.50 0.00 0.00 33.47 28.61 1xwe s TRP 1630CO 0.21 -0.79 2.32 -2.30 -4.62 0.00 0.00 176.95 171.77 1xwe n PRO 1631N 5.48 0.69 -0.20 5.86 -0.02 -1.26 -3.76 135.00 141.78 1xwe n PRO 1631Ca -0.10 0.14 0.20 0.00 -2.02 0.00 0.00 63.50 61.72 1xwe n PRO 1631Cb 0.45 -2.27 0.55 0.00 -0.02 0.00 0.00 33.50 32.21 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 12.90 0.32 -6.51 -0.52 2.43 -1.93 -3.42 114.38 117.66 1xwe h ARG 1632Ca -0.20 -0.02 -0.43 0.00 -0.81 0.00 0.00 59.98 58.52 1xwe h ARG 1632Cb 1.33 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.83 1xwe h ARG 1632CO 1.13 0.21 -0.22 -0.51 -1.51 0.00 0.00 179.97 179.06 1xwe s ASP 1633N -5.74 5.67 0.00 -3.80 1.01 -1.26 -5.03 116.67 107.52 1xwe s ASP 1633Ca -0.08 -0.24 0.00 0.00 0.71 0.00 0.00 52.55 52.95 1xwe s ASP 1633Cb 0.22 -0.89 0.00 0.00 1.01 0.00 0.00 42.92 43.26 1xwe s ASP 1633CO 0.77 -0.75 0.00 0.35 0.21 0.00 0.00 175.17 175.75 1xwe n THR 1634N -1.91 0.00 -0.87 -1.27 -2.24 -1.26 -4.77 114.28 101.96 1xwe n THR 1634Ca 0.06 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1xwe n THR 1634Cb 0.59 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.52 0.10 -3.63 4.28 -2.24 -1.26 -4.03 114.28 106.97 1xwe n THR 1635Ca 0.00 -0.12 -0.37 0.00 -2.27 0.00 0.00 64.05 61.29 1xwe n THR 1635Cb 0.00 1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 69.32 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 2.89 -2.61 -0.03 0.00 3.41 -1.26 -4.71 113.62 111.30 1xwe n SER 1637Ca 0.16 0.27 -0.03 0.00 -0.26 0.00 0.00 58.87 59.01 1xwe n SER 1637Cb 0.38 -2.38 -0.04 0.00 -0.26 0.00 0.00 64.21 61.91 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 -1.14 3.53 -1.20 4.04 7.64 -1.26 -5.12 113.62 120.11 1xwe n SER 1638Ca -0.09 -0.01 0.09 0.00 1.01 0.00 0.00 58.87 59.88 1xwe n SER 1638Cb 0.47 0.51 -0.05 0.00 -1.01 0.00 0.00 64.21 64.14 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 -3.39 2.78 0.31 0.00 6.02 -1.26 -4.59 117.38 117.26 1xwe n GLN 1640Ca -0.05 -2.73 0.18 0.00 -0.01 0.00 0.00 57.00 54.39 1xwe n GLN 1640Cb 0.50 -1.75 1.01 0.00 1.02 0.00 0.00 30.24 31.02 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 1.65 1.25 0.00 -1.58 0.00 -1.95 -2.44 119.26 116.20 1xwe h ALA 1641Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xwe h ALA 1641Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xwe h ALA 1641CO 0.18 0.02 -0.54 0.34 0.00 0.00 0.00 179.25 179.25 1xwe n PHE 1642N -3.47 0.00 1.85 0.00 7.35 -1.26 -4.55 117.46 117.38 1xwe n PHE 1642Ca -0.03 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.74 1xwe n PHE 1642Cb 0.11 -0.03 0.43 0.00 0.35 0.00 0.00 39.48 40.35 1xwe n PHE 1642CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1xwe n LEU 1643N -1.28 0.30 -0.06 -2.13 4.77 -0.93 -2.91 117.00 114.76 1xwe n LEU 1643Ca 0.00 -0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 55.74 1xwe n LEU 1643Cb 0.05 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1xwe n LEU 1643CO 0.05 0.07 -0.68 0.00 -1.33 0.00 0.00 177.39 175.50 1xwe n ALA 1644N -0.54 1.65 0.29 -1.18 0.00 -1.11 -4.02 120.51 115.60 1xwe n ALA 1644Ca 0.12 -0.61 0.17 0.00 0.00 0.00 0.00 53.44 53.12 1xwe n ALA 1644Cb 0.10 0.16 0.90 0.00 0.00 0.00 0.00 19.45 20.60 1xwe n ALA 1644CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1xwe h ASN 1645N -0.67 0.00 1.19 0.00 -1.07 -1.81 -1.36 115.58 111.85 1xwe h ASN 1645Ca -0.16 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.12 1xwe h ASN 1645Cb 0.92 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.15 1xwe h ASN 1645CO -0.10 0.04 -0.85 0.25 0.07 0.00 0.00 177.43 176.85 1xwe h LEU 1646N 0.00 0.00 -1.20 6.14 5.85 -1.77 -3.32 115.31 121.01 1xwe h LEU 1646Ca -0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1xwe h LEU 1646Cb 0.25 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1xwe h LEU 1646CO 0.01 0.36 0.55 -0.78 -0.34 0.00 0.00 178.44 178.24 1xwe h ASP 1647N 0.00 0.91 -0.17 1.25 3.58 -1.38 -1.13 116.42 119.48 1xwe h ASP 1647Ca -0.06 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 1xwe h ASP 1647Cb 1.32 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.15 1xwe h ASP 1647CO 0.04 0.63 0.04 -0.08 -2.88 0.00 0.00 179.24 176.99 1xwe h GLU 1648N 1.06 0.36 -0.45 0.28 4.81 -1.66 -1.99 114.58 116.99 1xwe h GLU 1648Ca 0.33 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1xwe h GLU 1648Cb -0.00 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1xwe h GLU 1648CO -0.09 0.35 0.19 0.35 -0.73 0.00 0.00 179.01 179.08 1xwe h PHE 1649N 0.36 0.63 -0.22 0.92 3.57 -1.38 -0.35 116.94 120.47 1xwe h PHE 1649Ca 0.09 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1xwe h PHE 1649Cb 0.17 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1xwe h PHE 1649CO 0.00 0.49 -0.12 0.00 -2.23 0.00 0.00 178.31 176.45 1xwe h ALA 1650N 1.57 0.31 0.00 2.41 0.00 -1.30 -2.82 119.26 119.42 1xwe h ALA 1650Ca 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xwe h ALA 1650Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xwe h ALA 1650CO -0.02 0.17 0.00 -1.91 0.00 0.00 0.00 179.25 177.49 1xwe n GLU 1651N -4.51 0.43 0.00 0.00 2.13 -1.05 -1.30 120.64 116.34 1xwe n GLU 1651Ca -0.05 0.02 0.11 0.00 0.66 0.00 0.00 57.16 57.90 1xwe n GLU 1651Cb 0.35 -1.50 0.01 0.00 0.27 0.00 0.00 31.44 30.56 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 -1.27 0.86 -0.00 4.31 -0.08 -0.17 -3.39 116.55 116.81 1xwe n ASP 1652Ca 0.14 -0.77 0.01 0.00 -1.51 0.00 0.00 54.79 52.66 1xwe n ASP 1652Cb 0.22 0.74 -0.02 0.00 2.34 0.00 0.00 41.12 44.40 1xwe n ASP 1652CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xwe n ILE 1653N -1.46 0.01 0.00 5.18 0.13 -1.09 -0.49 119.36 121.65 1xwe n ILE 1653Ca 0.05 -0.05 -0.08 0.00 -1.10 0.00 0.00 62.75 61.56 1xwe n ILE 1653Cb 0.33 0.29 -0.13 0.00 -0.84 0.00 0.00 39.64 39.29 1xwe n ILE 1653CO 0.00 0.00 0.00 0.15 2.80 0.00 0.00 176.55 179.50 1xwe h PHE 1654N 0.00 0.01 0.00 9.51 3.04 -1.37 -3.32 116.94 124.81 1xwe h PHE 1654Ca -0.01 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1xwe h PHE 1654Cb 0.21 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.72 1xwe h PHE 1654CO 0.00 1.01 0.00 -0.11 -2.02 0.00 0.00 178.31 177.19 1xwe n LEU 1655N -3.14 0.03 0.10 0.59 -0.00 -1.22 -4.81 117.00 108.56 1xwe n LEU 1655Ca -0.13 0.01 -0.23 0.00 -0.00 0.00 0.00 56.01 55.67 1xwe n LEU 1655Cb 1.02 -0.35 -0.15 0.00 -0.00 0.00 0.00 43.42 43.94 1xwe n LEU 1655CO 0.46 -0.35 -0.38 -0.55 -0.00 0.00 0.00 177.39 176.56 1xwe h ASN 1656N 0.00 0.69 0.00 1.96 7.08 -1.74 -3.49 115.58 120.08 1xwe h ASN 1656Ca 0.00 -0.88 0.00 0.00 -3.08 0.00 0.00 56.30 52.34 1xwe h ASN 1656Cb 0.00 -0.22 0.00 0.00 -2.08 0.00 0.00 38.32 36.02 1xwe h ASN 1656CO 0.00 1.72 0.00 0.61 -2.08 0.00 0.00 177.43 177.68 1xwe n GLY 1657N 1.78 3.08 0.15 9.14 0.00 0.35 -4.94 105.19 114.75 1xwe n GLY 1657Ca -0.20 -0.24 0.15 0.00 0.00 0.00 0.00 46.02 45.73 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32