#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 -4.65 1.61 2.88 -1.26 -5.07 113.62 107.13 1xwe n SER 1509Ca 0.00 -0.45 -0.42 0.00 -1.33 0.00 0.00 58.87 56.66 1xwe n SER 1509Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 0.00 1.88 -0.12 0.66 5.65 -1.26 -4.98 115.29 117.13 1xwe s HIS 1510Ca 0.00 0.19 -0.06 0.00 0.25 0.00 0.00 55.06 55.45 1xwe s HIS 1510Cb 0.00 -3.96 0.05 0.00 -1.18 0.00 0.00 32.58 27.49 1xwe s HIS 1510CO 0.00 -3.90 0.27 1.41 -0.65 0.00 0.00 174.74 171.87 1xwe s MET 1511N 4.30 0.22 0.01 2.88 -2.45 -1.26 -5.16 119.30 117.84 1xwe s MET 1511Ca 0.76 0.59 -0.09 0.00 -1.25 0.00 0.00 55.69 55.70 1xwe s MET 1511Cb -0.33 -0.10 0.01 0.00 1.25 0.00 0.00 34.83 35.66 1xwe s MET 1511CO 0.31 -0.18 0.19 0.00 1.05 0.00 0.00 175.02 176.39 1xwe s ALA 1512N 1.44 -0.42 0.00 4.11 0.00 -1.26 -5.11 121.76 120.53 1xwe s ALA 1512Ca -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1xwe s ALA 1512Cb -0.10 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1xwe s ALA 1512CO -0.09 -0.26 0.47 -0.25 0.00 0.00 0.00 175.76 175.63 1xwe n ASP 1513N 1.18 0.00 -2.88 0.00 8.00 -1.26 -4.01 116.55 117.57 1xwe n ASP 1513Ca -0.21 0.48 -0.01 0.00 0.71 0.00 0.00 54.79 55.76 1xwe n ASP 1513Cb 0.57 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.63 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 1.16 0.82 3.58 0.00 0.00 -1.24 -3.16 105.19 106.36 1xwe n GLY 1515Ca -0.05 -0.60 -0.52 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.62 1.09 -4.45 1.61 7.27 -1.26 -3.76 117.38 117.26 1xwe n GLN 1516Ca 0.00 0.39 -0.26 0.00 0.07 0.00 0.00 57.00 57.21 1xwe n GLN 1516Cb 0.48 -2.00 -0.10 0.00 2.41 0.00 0.00 30.24 31.03 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 0.31 1.97 0.24 3.69 -1.94 -1.26 -4.64 119.30 117.67 1xwe s MET 1517Ca 0.83 -1.89 -0.04 0.00 -1.71 0.00 0.00 55.69 52.88 1xwe s MET 1517Cb -0.95 -1.80 -0.05 0.00 2.01 0.00 0.00 34.83 34.04 1xwe s MET 1517CO 0.48 0.09 0.48 -0.65 -0.01 0.00 0.00 175.02 175.40 1xwe s GLN 1518N -3.69 3.60 0.98 2.03 -1.52 -0.84 -5.03 119.66 115.20 1xwe s GLN 1518Ca 0.34 -0.11 -0.12 0.00 -1.95 0.00 0.00 55.36 53.52 1xwe s GLN 1518Cb 0.03 -2.74 0.18 0.00 -0.22 0.00 0.00 33.01 30.26 1xwe s GLN 1518CO 0.18 0.31 1.08 -1.21 -0.25 0.00 0.00 175.29 175.41 1xwe s GLU 1519N -3.33 0.53 -0.27 2.91 2.02 -1.26 -4.73 118.70 114.57 1xwe s GLU 1519Ca 0.42 0.75 -0.12 0.00 0.02 0.00 0.00 54.97 56.05 1xwe s GLU 1519Cb -0.11 -1.73 -0.05 0.00 0.10 0.00 0.00 34.13 32.34 1xwe s GLU 1519CO 0.29 -2.72 0.22 -1.21 0.02 0.00 0.00 175.26 171.86 1xwe s GLU 1520N -4.84 3.98 -0.26 1.61 8.01 -1.26 -4.68 118.70 121.25 1xwe s GLU 1520Ca 0.65 -0.25 -0.00 0.00 0.01 0.00 0.00 54.97 55.38 1xwe s GLU 1520Cb -0.20 -3.65 0.00 0.00 -4.31 0.00 0.00 34.13 25.98 1xwe s GLU 1520CO 0.59 -0.17 0.01 1.28 0.01 0.00 0.00 175.26 176.97 1xwe n LEU 1521N 5.03 -7.35 -3.21 1.80 4.77 -1.26 -5.03 117.00 111.75 1xwe n LEU 1521Ca -0.13 1.32 -0.17 0.00 -0.03 0.00 0.00 56.01 57.00 1xwe n LEU 1521Cb 0.52 -3.10 -0.06 0.00 -2.33 0.00 0.00 43.42 38.45 1xwe n LEU 1521CO 0.34 -3.01 -0.14 1.51 -1.33 0.00 0.00 177.39 174.76 1xwe s ASP 1522N -1.51 0.54 -0.55 -1.43 -4.77 -1.26 -5.09 116.67 102.60 1xwe s ASP 1522Ca -0.01 -2.18 -0.26 0.00 -3.30 0.00 0.00 52.55 46.80 1xwe s ASP 1522Cb 0.00 0.55 -0.08 0.00 -1.09 0.00 0.00 42.92 42.30 1xwe s ASP 1522CO 0.67 -0.17 2.42 0.18 0.70 0.00 0.00 175.17 178.98 1xwe n LEU 1523N 3.37 2.21 0.00 2.11 7.99 -1.26 -3.76 117.00 127.66 1xwe n LEU 1523Ca 0.20 -0.69 0.00 0.00 -0.01 0.00 0.00 56.01 55.51 1xwe n LEU 1523Cb 0.49 -1.60 0.00 0.00 -0.11 0.00 0.00 43.42 42.20 1xwe n LEU 1523CO 0.06 -1.77 0.00 1.07 -1.51 0.00 0.00 177.39 175.24 1xwe n THR 1524N 8.15 0.00 -3.20 -5.08 5.66 -1.26 -5.13 114.28 113.41 1xwe n THR 1524Ca 0.39 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 61.00 1xwe n THR 1524Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.25 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 4.88 0.41 1.09 1.01 -1.25 -5.06 121.20 122.29 1xwe s ILE 1525Ca 0.00 1.26 -0.18 0.00 0.00 0.00 0.00 60.65 61.73 1xwe s ILE 1525Cb 0.00 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.43 1xwe s ILE 1525CO 0.00 0.43 0.89 -0.55 0.00 0.00 0.00 174.94 175.71 1xwe s SER 1526N -0.26 6.83 0.14 3.58 0.15 -1.26 -4.99 113.70 117.90 1xwe s SER 1526Ca 0.31 1.54 -0.01 0.00 0.70 0.00 0.00 55.95 58.49 1xwe s SER 1526Cb -0.18 -2.48 -0.06 0.00 -1.71 0.00 0.00 66.02 61.58 1xwe s SER 1526CO 0.18 -0.36 1.33 0.00 1.20 0.00 0.00 173.24 175.59 1xwe h ALA 1527N 1.82 0.42 -0.11 5.45 0.00 -1.98 -3.22 119.26 121.66 1xwe h ALA 1527Ca -0.48 -0.72 -0.20 0.00 0.00 0.00 0.00 54.91 53.50 1xwe h ALA 1527Cb 1.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xwe h ALA 1527CO 0.62 0.87 -0.75 0.93 0.00 0.00 0.00 179.25 180.92 1xwe h GLU 1528N 0.17 0.55 -0.37 0.00 5.08 -1.94 -2.31 114.58 115.76 1xwe h GLU 1528Ca -0.07 -0.45 0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1xwe h GLU 1528Cb 1.56 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.89 1xwe h GLU 1528CO 0.15 1.08 0.25 1.15 -1.00 0.00 0.00 179.01 180.64 1xwe h THR 1529N 0.38 1.06 0.23 1.13 2.02 -1.97 -1.25 112.91 114.51 1xwe h THR 1529Ca -0.04 -0.15 -0.33 0.00 0.77 0.00 0.00 66.41 66.65 1xwe h THR 1529Cb 1.35 0.57 0.03 0.00 -1.74 0.00 0.00 68.15 68.36 1xwe h THR 1529CO 0.14 0.08 -1.53 0.03 0.37 0.00 0.00 175.52 174.61 1xwe h ARG 1530N 0.45 0.48 -0.88 6.66 3.08 -1.55 -3.33 114.38 119.28 1xwe h ARG 1530Ca 0.14 -0.82 0.03 0.00 0.07 0.00 0.00 59.98 59.41 1xwe h ARG 1530Cb 0.03 0.30 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 1xwe h ARG 1530CO -0.03 1.39 0.57 -0.22 -1.07 0.00 0.00 179.97 180.61 1xwe h LYS 1531N 0.09 1.08 -0.78 0.04 3.11 -0.98 -1.09 116.57 118.05 1xwe h LYS 1531Ca -0.28 -0.07 0.23 0.00 -2.81 0.00 0.00 60.65 57.72 1xwe h LYS 1531Cb 2.11 -0.24 -0.03 0.00 -1.00 0.00 0.00 32.23 33.06 1xwe h LYS 1531CO 0.23 0.72 0.58 1.96 -2.81 0.00 0.00 179.45 180.13 1xwe h GLN 1532N 1.11 0.00 -0.29 1.90 1.08 -1.35 0.31 115.11 117.87 1xwe h GLN 1532Ca 0.35 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.39 1xwe h GLN 1532Cb -0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1xwe h GLN 1532CO -0.11 0.00 -0.47 1.15 -0.95 0.00 0.00 178.83 178.45 1xwe h THR 1533N 0.00 1.29 0.00 -0.54 2.02 -1.34 -2.53 112.91 111.80 1xwe h THR 1533Ca 0.37 -1.66 -0.05 0.00 0.77 0.00 0.00 66.41 65.84 1xwe h THR 1533Cb 1.53 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 1xwe h THR 1533CO -0.00 0.54 -0.25 0.00 0.37 0.00 0.00 175.52 176.17 1xwe h ALA 1534N 0.86 1.14 0.00 6.16 0.00 -0.40 -2.42 119.26 124.60 1xwe h ALA 1534Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xwe h ALA 1534Cb 1.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1xwe h ALA 1534CO 0.10 0.32 -0.38 0.00 0.00 0.00 0.00 179.25 179.29 1xwe n LYS 1536N -2.06 0.96 0.00 0.00 5.02 -0.91 -4.85 118.16 116.31 1xwe n LYS 1536Ca 0.04 0.38 0.06 0.00 -2.02 0.00 0.00 58.31 56.78 1xwe n LYS 1536Cb 0.42 -2.38 0.33 0.00 -0.02 0.00 0.00 35.03 33.38 1xwe n LYS 1536CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1xwe n PRO 1537N -1.66 0.23 0.00 1.97 -0.04 -1.26 -3.67 135.00 130.57 1xwe n PRO 1537Ca 0.15 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1xwe n PRO 1537Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1xwe n PRO 1537CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1xwe n GLU 1538N -1.22 0.00 -1.48 0.54 2.13 -1.26 -4.97 120.64 114.38 1xwe n GLU 1538Ca 0.07 0.17 -0.40 0.00 0.66 0.00 0.00 57.16 57.66 1xwe n GLU 1538Cb 0.09 -0.64 0.02 0.00 0.27 0.00 0.00 31.44 31.18 1xwe n GLU 1538CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1xwe n ILE 1539N -2.15 2.12 0.00 6.31 2.08 -1.24 -4.11 119.36 122.37 1xwe n ILE 1539Ca 0.00 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.81 1xwe n ILE 1539Cb 0.00 -0.70 0.00 0.00 -0.75 0.00 0.00 39.64 38.19 1xwe n ILE 1539CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1xwe n ALA 1540N -1.21 2.88 -2.32 -1.39 0.00 0.61 -4.70 120.51 114.38 1xwe n ALA 1540Ca 0.11 -0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.19 1xwe n ALA 1540Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.92 3.63 -0.27 0.00 -0.85 -0.51 -4.05 117.35 114.38 1xwe s TYR 1541Ca 0.00 1.12 -0.01 0.00 -0.52 0.00 0.00 57.07 57.66 1xwe s TYR 1541Cb 0.00 -2.41 0.16 0.00 0.38 0.00 0.00 41.96 40.09 1xwe s TYR 1541CO 0.00 0.43 0.49 0.00 -1.52 0.00 0.00 175.55 174.95 1xwe s ALA 1542N -1.44 -1.66 0.00 9.51 0.00 -1.01 -1.87 121.76 125.30 1xwe s ALA 1542Ca 0.37 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1xwe s ALA 1542Cb -0.16 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1xwe s ALA 1542CO 0.19 -1.35 0.00 0.98 0.00 0.00 0.00 175.76 175.58 1xwe n TYR 1543N 5.39 0.00 -4.09 0.00 4.19 -0.75 -1.36 117.16 120.55 1xwe n TYR 1543Ca -0.02 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.05 1xwe n TYR 1543Cb 0.51 0.00 -0.12 0.00 0.49 0.00 0.00 39.34 40.21 1xwe n TYR 1543CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1xwe s LYS 1544N 3.38 0.51 0.20 2.98 2.20 -1.16 -2.42 119.74 125.42 1xwe s LYS 1544Ca 0.00 -0.62 -0.05 0.00 -0.36 0.00 0.00 55.97 54.94 1xwe s LYS 1544Cb 0.00 -0.33 -0.03 0.00 -1.51 0.00 0.00 37.83 35.97 1xwe s LYS 1544CO 0.00 0.07 0.23 0.14 -0.36 0.00 0.00 175.35 175.42 1xwe s VAL 1545N -1.07 0.02 -0.07 4.02 -7.23 -0.89 -0.55 120.40 114.64 1xwe s VAL 1545Ca -0.07 -1.75 -0.02 0.00 -1.81 0.00 0.00 61.98 58.33 1xwe s VAL 1545Cb -0.08 -2.26 0.03 0.00 0.56 0.00 0.00 36.38 34.63 1xwe s VAL 1545CO 0.00 -0.11 0.04 -0.55 -0.31 0.00 0.00 175.10 174.17 1xwe s SER 1546N -3.08 1.45 0.28 4.85 0.15 -0.19 -1.02 113.70 116.14 1xwe s SER 1546Ca 0.30 -0.06 -0.30 0.00 0.70 0.00 0.00 55.95 56.59 1xwe s SER 1546Cb 0.05 -0.27 -0.12 0.00 -1.71 0.00 0.00 66.02 63.96 1xwe s SER 1546CO 0.08 -0.24 1.49 -0.38 1.20 0.00 0.00 173.24 175.39 1xwe n ILE 1547N 5.23 1.14 -0.06 6.45 2.08 -1.06 -0.75 119.36 132.39 1xwe n ILE 1547Ca -0.05 -0.29 -0.10 0.00 0.56 0.00 0.00 62.75 62.87 1xwe n ILE 1547Cb 0.50 -1.75 -0.05 0.00 -0.75 0.00 0.00 39.64 37.59 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 1.79 0.67 -3.75 1.39 -2.24 -0.33 -0.71 114.28 111.09 1xwe n THR 1548Ca 0.09 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.55 1xwe n THR 1548Cb 0.35 -1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 67.33 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 -5.49 -0.11 -0.34 3.42 0.01 -0.50 -4.62 113.70 106.07 1xwe s SER 1549Ca -0.16 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.61 1xwe s SER 1549Cb 0.05 0.45 0.10 0.00 0.21 0.00 0.00 66.02 66.83 1xwe s SER 1549CO 0.25 -0.85 0.10 -0.63 0.41 0.00 0.00 173.24 172.52 1xwe s ILE 1550N -3.85 1.38 -0.18 1.44 1.01 -1.26 -0.72 121.20 119.02 1xwe s ILE 1550Ca 0.06 -1.85 -0.28 0.00 0.00 0.00 0.00 60.65 58.59 1xwe s ILE 1550Cb 0.02 -2.03 -0.00 0.00 0.01 0.00 0.00 42.46 40.46 1xwe s ILE 1550CO -0.09 -0.68 0.94 -0.89 0.00 0.00 0.00 174.94 174.22 1xwe s THR 1551N 1.23 4.79 -0.20 2.92 2.01 0.82 -4.97 115.64 122.23 1xwe s THR 1551Ca 0.11 1.86 -0.03 0.00 0.31 0.00 0.00 61.69 63.94 1xwe s THR 1551Cb -0.19 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.07 1xwe s THR 1551CO -0.17 -0.06 -0.06 -0.69 -0.69 0.00 0.00 174.62 172.96 1xwe s VAL 1552N 2.53 3.38 0.00 3.82 1.01 -1.26 -0.11 120.40 129.78 1xwe s VAL 1552Ca 0.42 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1xwe s VAL 1552Cb -0.16 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.70 1xwe s VAL 1552CO 0.11 0.45 0.00 1.21 0.00 0.00 0.00 175.10 176.87 1xwe n GLU 1553N 4.42 0.00 0.00 2.72 2.13 -1.25 -5.01 120.64 123.64 1xwe n GLU 1553Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1xwe n GLU 1553Cb 0.51 -0.17 0.00 0.00 0.27 0.00 0.00 31.44 32.05 1xwe n GLU 1553CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1xwe n ASN 1554N -2.06 0.00 0.03 4.31 5.15 -1.26 -4.97 115.26 116.47 1xwe n ASN 1554Ca 0.00 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.06 1xwe n ASN 1554Cb 0.00 0.17 -0.10 0.00 -0.53 0.00 0.00 39.78 39.33 1xwe n ASN 1554CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1xwe n VAL 1555N -1.55 0.47 -3.91 3.44 0.31 -1.26 -4.80 118.33 111.02 1xwe n VAL 1555Ca 0.00 -0.57 -0.30 0.00 -0.01 0.00 0.00 64.34 63.46 1xwe n VAL 1555Cb 0.00 -0.24 -0.16 0.00 -0.91 0.00 0.00 33.84 32.53 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 -3.32 2.34 -0.34 3.52 0.08 -1.26 -3.43 117.98 115.56 1xwe s PHE 1556Ca -0.05 -1.78 -0.18 0.00 0.12 0.00 0.00 56.93 55.04 1xwe s PHE 1556Cb 0.11 -1.65 -0.00 0.00 -0.57 0.00 0.00 43.02 40.90 1xwe s PHE 1556CO 0.85 -0.79 0.52 0.08 -0.10 0.00 0.00 175.22 175.78 1xwe s VAL 1557N 1.41 5.01 0.23 -0.44 1.01 -0.58 -3.90 120.40 123.13 1xwe s VAL 1557Ca -0.03 0.40 -0.19 0.00 0.00 0.00 0.00 61.98 62.16 1xwe s VAL 1557Cb -0.19 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 1xwe s VAL 1557CO -0.08 -0.20 0.72 -0.54 0.00 0.00 0.00 175.10 175.00 1xwe s LYS 1558N 2.41 4.24 -0.33 2.72 3.01 0.85 -1.62 119.74 131.02 1xwe s LYS 1558Ca 0.19 0.86 0.01 0.00 -1.01 0.00 0.00 55.97 56.02 1xwe s LYS 1558Cb -0.15 -2.86 0.10 0.00 -1.01 0.00 0.00 37.83 33.91 1xwe s LYS 1558CO 0.13 0.38 0.09 0.71 0.51 0.00 0.00 175.35 177.17 1xwe s TYR 1559N -1.54 2.52 0.19 3.18 1.51 0.47 -0.13 117.35 123.55 1xwe s TYR 1559Ca 0.43 -2.26 -0.30 0.00 -1.01 0.00 0.00 57.07 53.93 1xwe s TYR 1559Cb -0.16 -2.20 -0.08 0.00 -0.11 0.00 0.00 41.96 39.41 1xwe s TYR 1559CO 0.21 -0.90 0.96 0.21 -1.11 0.00 0.00 175.55 174.92 1xwe s LYS 1560N 1.28 4.78 0.33 -0.62 2.47 0.10 -1.67 119.74 126.40 1xwe s LYS 1560Ca 0.11 1.49 -0.08 0.00 -1.56 0.00 0.00 55.97 55.93 1xwe s LYS 1560Cb -0.18 -3.31 0.01 0.00 -1.46 0.00 0.00 37.83 32.89 1xwe s LYS 1560CO -0.18 0.38 0.55 0.00 0.16 0.00 0.00 175.35 176.26 1xwe s ALA 1561N -0.70 0.15 -0.23 3.13 0.00 -0.90 -1.19 121.76 122.03 1xwe s ALA 1561Ca 0.44 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1xwe s ALA 1561Cb -0.25 1.02 0.05 0.00 0.00 0.00 0.00 23.12 23.94 1xwe s ALA 1561CO 0.32 -0.85 -0.09 0.99 0.00 0.00 0.00 175.76 176.12 1xwe s THR 1562N -3.14 1.75 -0.51 0.00 2.01 0.07 -2.76 115.64 113.07 1xwe s THR 1562Ca 0.25 -1.25 -0.27 0.00 0.31 0.00 0.00 61.69 60.73 1xwe s THR 1562Cb -0.02 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 1xwe s THR 1562CO 0.15 0.03 2.11 -0.22 -0.69 0.00 0.00 174.62 176.00 1xwe s LEU 1563N 1.32 3.37 0.03 4.42 2.96 -1.08 -1.03 118.68 128.67 1xwe s LEU 1563Ca -0.05 0.85 -0.13 0.00 -0.22 0.00 0.00 54.13 54.58 1xwe s LEU 1563Cb -0.18 -2.69 -0.06 0.00 0.50 0.00 0.00 46.19 43.76 1xwe s LEU 1563CO -0.07 -2.49 1.20 -0.07 -1.32 0.00 0.00 176.35 173.60 1xwe h LEU 1564N 17.38 -0.47 -8.58 -0.68 4.07 -1.13 1.38 115.31 127.28 1xwe h LEU 1564Ca -0.27 0.03 -0.24 0.00 0.08 0.00 0.00 57.88 57.48 1xwe h LEU 1564Cb 1.21 0.15 -0.15 0.00 1.08 0.00 0.00 40.66 42.95 1xwe h LEU 1564CO 1.16 -0.25 -0.63 -1.81 -1.08 0.00 0.00 178.44 175.83 1xwe s ASP 1565N -2.92 0.36 -0.15 -0.43 1.01 -0.74 0.61 116.67 114.41 1xwe s ASP 1565Ca -0.06 -1.33 -0.03 0.00 0.71 0.00 0.00 52.55 51.84 1xwe s ASP 1565Cb 0.01 0.32 0.05 0.00 1.01 0.00 0.00 42.92 44.31 1xwe s ASP 1565CO 0.21 -0.79 0.04 -0.63 0.21 0.00 0.00 175.17 174.21 1xwe s ILE 1566N -4.06 0.35 -0.02 0.77 -1.09 -1.26 -2.97 121.20 112.91 1xwe s ILE 1566Ca 0.34 -0.26 -0.22 0.00 -2.23 0.00 0.00 60.65 58.27 1xwe s ILE 1566Cb 0.07 -0.78 -0.24 0.00 -1.58 0.00 0.00 42.46 39.94 1xwe s ILE 1566CO 0.09 -0.08 1.06 1.88 -1.23 0.00 0.00 174.94 176.66 1xwe h TYR 1567N 8.31 0.43 -3.21 3.97 0.05 -1.62 -3.44 116.97 121.46 1xwe h TYR 1567Ca -0.17 -0.23 -0.62 0.00 0.05 0.00 0.00 58.73 57.76 1xwe h TYR 1567Cb 1.13 -0.05 -0.35 0.00 1.01 0.00 0.00 36.73 38.47 1xwe h TYR 1567CO 0.32 1.04 -0.85 0.21 -1.05 0.00 0.00 178.16 177.83 1xwe s LYS 1568N -3.16 2.55 0.34 4.88 2.20 -1.20 -4.91 119.74 120.44 1xwe s LYS 1568Ca -0.15 -0.68 -0.27 0.00 -0.36 0.00 0.00 55.97 54.52 1xwe s LYS 1568Cb 0.02 -2.14 -0.13 0.00 -1.51 0.00 0.00 37.83 34.07 1xwe s LYS 1568CO 0.78 -0.08 1.04 2.41 -0.36 0.00 0.00 175.35 179.15 1xwe n THR 1569N 4.26 2.12 2.00 3.43 -1.04 -1.26 -2.39 114.28 121.39 1xwe n THR 1569Ca -0.19 -0.50 0.14 0.00 -2.04 0.00 0.00 64.05 61.46 1xwe n THR 1569Cb 0.51 -1.13 0.83 0.00 -1.82 0.00 0.00 70.33 68.72 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 1.15 -1.00 2.96 3.41 0.00 -1.26 -3.39 105.19 107.07 1xwe n GLY 1570Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1xwe n GLY 1570CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xwe n GLU 1571N -0.93 -1.95 -3.17 1.61 1.02 -1.26 -4.21 120.64 111.75 1xwe n GLU 1571Ca 0.21 0.46 -0.19 0.00 -0.02 0.00 0.00 57.16 57.62 1xwe n GLU 1571Cb 0.10 -4.84 -0.06 0.00 -0.02 0.00 0.00 31.44 26.62 1xwe n GLU 1571CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xwe s ALA 1572N -0.94 0.09 -1.57 0.62 0.00 -1.26 -4.89 121.76 113.81 1xwe s ALA 1572Ca 0.00 -1.69 -0.08 0.00 0.00 0.00 0.00 51.96 50.19 1xwe s ALA 1572Cb 0.00 -2.01 0.07 0.00 0.00 0.00 0.00 23.12 21.19 1xwe s ALA 1572CO 0.00 -2.07 0.51 0.28 0.00 0.00 0.00 175.76 174.48 1xwe n VAL 1573N 2.92 -1.81 -4.11 0.00 0.31 -1.26 -4.87 118.33 109.50 1xwe n VAL 1573Ca 0.25 -0.28 -0.35 0.00 -0.01 0.00 0.00 64.34 63.95 1xwe n VAL 1573Cb 0.51 -1.93 -0.09 0.00 -0.91 0.00 0.00 33.84 31.42 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 -3.73 3.43 -0.10 3.52 0.00 -1.26 -4.86 121.76 118.76 1xwe s ALA 1574Ca 0.33 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 51.25 1xwe s ALA 1574Cb -0.18 -1.78 0.11 0.00 0.00 0.00 0.00 23.12 21.27 1xwe s ALA 1574CO 0.93 0.37 0.92 -1.83 0.00 0.00 0.00 175.76 176.15 1xwe s GLU 1575N -0.21 0.73 0.14 0.00 -1.05 -1.26 -4.53 118.70 112.52 1xwe s GLU 1575Ca 0.07 0.03 -0.34 0.00 -0.15 0.00 0.00 54.97 54.59 1xwe s GLU 1575Cb -0.12 0.34 -0.13 0.00 -0.44 0.00 0.00 34.13 33.78 1xwe s GLU 1575CO 0.01 -0.26 1.64 0.36 0.95 0.00 0.00 175.26 177.97 1xwe n LYS 1576N 0.48 2.26 -3.06 -4.83 2.85 -1.26 -2.00 118.16 112.60 1xwe n LYS 1576Ca -0.11 0.82 -0.13 0.00 -1.05 0.00 0.00 58.31 57.84 1xwe n LYS 1576Cb 0.59 -2.61 0.04 0.00 -0.65 0.00 0.00 35.03 32.40 1xwe n LYS 1576CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1xwe n ASP 1577N 3.92 -4.11 -1.06 -5.58 2.03 0.47 -4.90 116.55 107.32 1xwe n ASP 1577Ca 0.17 -0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.19 1xwe n ASP 1577Cb 0.30 -2.97 0.00 0.00 -0.72 0.00 0.00 41.12 37.73 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 -1.10 0.40 -4.51 1.67 3.41 -0.82 -4.91 113.62 107.76 1xwe n SER 1578Ca -0.01 -0.53 -0.33 0.00 -0.26 0.00 0.00 58.87 57.73 1xwe n SER 1578Cb 0.54 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.37 1xwe n SER 1578CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1xwe s GLU 1579N 0.16 2.78 0.03 4.33 8.01 -1.26 -2.63 118.70 130.13 1xwe s GLU 1579Ca 0.00 -0.62 0.00 0.00 0.01 0.00 0.00 54.97 54.36 1xwe s GLU 1579Cb 0.00 -2.53 -0.03 0.00 -4.31 0.00 0.00 34.13 27.26 1xwe s GLU 1579CO 0.00 0.57 -0.04 0.96 0.01 0.00 0.00 175.26 176.76 1xwe s ILE 1580N -0.57 0.22 -0.13 -1.63 -4.36 -1.11 -4.85 121.20 108.75 1xwe s ILE 1580Ca 0.08 -1.15 -0.04 0.00 -0.26 0.00 0.00 60.65 59.28 1xwe s ILE 1580Cb -0.12 -0.61 0.07 0.00 1.25 0.00 0.00 42.46 43.05 1xwe s ILE 1580CO 0.02 -0.59 0.25 -0.89 0.24 0.00 0.00 174.94 173.96 1xwe s THR 1581N -2.01 -0.39 -0.26 8.37 2.01 -1.26 -2.11 115.64 119.99 1xwe s THR 1581Ca -0.10 0.24 -0.06 0.00 0.31 0.00 0.00 61.69 62.08 1xwe s THR 1581Cb -0.06 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 1xwe s THR 1581CO -0.03 0.08 0.04 -0.36 -0.69 0.00 0.00 174.62 173.67 1xwe s PHE 1582N 2.40 3.08 0.02 4.92 0.40 -0.67 -1.36 117.98 126.77 1xwe s PHE 1582Ca 0.02 -0.81 -0.02 0.00 -0.60 0.00 0.00 56.93 55.53 1xwe s PHE 1582Cb -0.12 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.16 1xwe s PHE 1582CO -0.09 -0.50 0.19 0.96 0.70 0.00 0.00 175.22 176.47 1xwe s ILE 1583N 1.53 5.37 0.11 0.64 -4.36 -0.83 -0.40 121.20 123.26 1xwe s ILE 1583Ca 0.04 -0.26 0.05 0.00 -0.26 0.00 0.00 60.65 60.22 1xwe s ILE 1583Cb -0.16 -3.55 -0.04 0.00 1.25 0.00 0.00 42.46 39.97 1xwe s ILE 1583CO 0.01 0.26 -0.12 -0.75 0.24 0.00 0.00 174.94 174.58 1xwe s LYS 1584N -2.14 0.94 -0.17 0.37 2.20 -0.64 -2.62 119.74 117.69 1xwe s LYS 1584Ca 0.30 -1.20 0.07 0.00 -0.36 0.00 0.00 55.97 54.78 1xwe s LYS 1584Cb -0.13 -0.72 0.48 0.00 -1.51 0.00 0.00 37.83 35.95 1xwe s LYS 1584CO 0.22 0.13 1.32 1.63 -0.36 0.00 0.00 175.35 178.28 1xwe n LYS 1585N 0.53 3.03 -1.13 4.03 5.02 -1.26 -1.53 118.16 126.85 1xwe n LYS 1585Ca -0.16 -1.89 -0.08 0.00 -2.02 0.00 0.00 58.31 54.17 1xwe n LYS 1585Cb 0.57 -1.91 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 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 0.20 0.00 -0.05 -0.18 0.24 -1.22 -4.72 118.33 112.59 1xwe n VAL 1586Ca 0.21 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.40 1xwe n VAL 1586Cb 0.91 -0.80 -0.14 0.00 -1.47 0.00 0.00 33.84 32.33 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 -1.49 1.56 -1.54 3.34 -2.24 -1.26 -4.95 114.28 107.70 1xwe n THR 1587Ca -0.08 -0.79 -0.35 0.00 -2.27 0.00 0.00 64.05 60.57 1xwe n THR 1587Cb 0.29 -0.96 0.08 0.00 -2.10 0.00 0.00 70.33 67.64 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 -2.51 0.00 0.00 0.00 -1.04 -1.26 -4.79 114.28 104.70 1xwe n THR 1589Ca 0.14 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.09 1xwe n THR 1589Cb 0.50 -0.43 -0.12 0.00 -1.82 0.00 0.00 70.33 68.46 1xwe n THR 1589CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1xwe h ASN 1590N 0.00 0.00 -3.03 8.00 -1.24 -1.67 -3.44 115.58 114.20 1xwe h ASN 1590Ca 0.00 0.00 -0.55 0.00 0.71 0.00 0.00 56.30 56.46 1xwe h ASN 1590Cb 0.48 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.46 1xwe h ASN 1590CO 0.00 0.88 1.05 0.00 -1.29 0.00 0.00 177.43 178.07 1xwe s ALA 1591N -2.70 2.91 -0.08 1.57 0.00 -1.19 -4.74 121.76 117.53 1xwe s ALA 1591Ca -0.03 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 1xwe s ALA 1591Cb 0.08 -4.06 0.03 0.00 0.00 0.00 0.00 23.12 19.17 1xwe s ALA 1591CO 0.82 -2.76 -0.01 -1.21 0.00 0.00 0.00 175.76 172.59 1xwe s GLU 1592N 5.22 0.78 0.46 0.00 2.02 -1.26 -4.98 118.70 120.93 1xwe s GLU 1592Ca 0.49 0.04 0.07 0.00 0.02 0.00 0.00 54.97 55.59 1xwe s GLU 1592Cb -0.10 -1.08 0.02 0.00 0.10 0.00 0.00 34.13 33.08 1xwe s GLU 1592CO 0.26 -0.29 0.63 -0.51 0.02 0.00 0.00 175.26 175.37 1xwe s LEU 1593N 1.90 3.54 -0.04 1.80 1.43 -1.26 -5.13 118.68 120.92 1xwe s LEU 1593Ca 0.05 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1xwe s LEU 1593Cb -0.12 -2.63 0.01 0.00 0.03 0.00 0.00 46.19 43.48 1xwe s LEU 1593CO -0.06 -0.89 -0.08 -0.69 0.23 0.00 0.00 176.35 174.86 1xwe s VAL 1594N -2.47 0.79 0.18 -1.59 1.01 -1.26 -5.12 120.40 111.94 1xwe s VAL 1594Ca 0.56 -0.32 -0.31 0.00 0.00 0.00 0.00 61.98 61.91 1xwe s VAL 1594Cb -0.10 -0.73 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 1xwe s VAL 1594CO 0.35 0.26 1.40 -0.75 0.00 0.00 0.00 175.10 176.36 1xwe s LYS 1595N 0.47 4.31 -0.43 2.72 2.20 -1.26 -4.04 119.74 123.71 1xwe s LYS 1595Ca -0.08 2.16 -0.07 0.00 -0.36 0.00 0.00 55.97 57.62 1xwe s LYS 1595Cb -0.12 -3.19 0.01 0.00 -1.51 0.00 0.00 37.83 33.03 1xwe s LYS 1595CO 0.01 -0.40 0.49 0.41 -0.36 0.00 0.00 175.35 175.51 1xwe n GLY 1596N 2.87 -1.11 3.62 5.54 0.00 0.11 -4.98 105.19 111.24 1xwe n GLY 1596Ca 0.09 0.67 -0.09 0.00 0.00 0.00 0.00 46.02 46.70 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 -2.57 0.46 -0.19 1.61 3.52 -1.25 -4.93 118.95 115.59 1xwe s ARG 1597Ca 0.11 0.39 -0.26 0.00 -0.13 0.00 0.00 55.73 55.84 1xwe s ARG 1597Cb -0.03 0.22 -0.01 0.00 -1.56 0.00 0.00 34.95 33.57 1xwe s ARG 1597CO 0.58 -0.09 0.88 -0.65 -0.81 0.00 0.00 175.30 175.21 1xwe s GLN 1598N -0.21 4.27 0.02 5.12 -0.21 -1.26 -2.57 119.66 124.82 1xwe s GLN 1598Ca 0.03 1.08 0.05 0.00 0.02 0.00 0.00 55.36 56.54 1xwe s GLN 1598Cb -0.04 -3.60 -0.02 0.00 1.00 0.00 0.00 33.01 30.36 1xwe s GLN 1598CO -0.05 -0.42 -0.16 0.71 -2.12 0.00 0.00 175.29 173.25 1xwe s TYR 1599N 2.48 1.40 -0.11 0.91 2.02 -0.19 -2.32 117.35 121.55 1xwe s TYR 1599Ca 0.39 -0.31 -0.29 0.00 -0.37 0.00 0.00 57.07 56.49 1xwe s TYR 1599Cb -0.16 -0.87 -0.01 0.00 -0.40 0.00 0.00 41.96 40.52 1xwe s TYR 1599CO 0.11 0.02 0.98 -1.17 -1.57 0.00 0.00 175.55 173.91 1xwe s LEU 1600N -0.78 4.24 -0.05 -1.29 2.96 0.21 -2.10 118.68 121.87 1xwe s LEU 1600Ca 0.05 1.48 0.04 0.00 -0.22 0.00 0.00 54.13 55.48 1xwe s LEU 1600Cb -0.07 -3.51 0.00 0.00 0.50 0.00 0.00 46.19 43.11 1xwe s LEU 1600CO 0.00 -0.43 -0.15 -0.63 -1.32 0.00 0.00 176.35 173.83 1xwe s ILE 1601N 1.97 1.28 -0.33 6.68 1.01 -1.02 -1.89 121.20 128.89 1xwe s ILE 1601Ca 0.47 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.49 1xwe s ILE 1601Cb -0.18 -1.11 0.13 0.00 0.01 0.00 0.00 42.46 41.31 1xwe s ILE 1601CO 0.18 0.38 0.20 -0.04 0.00 0.00 0.00 174.94 175.65 1xwe s MET 1602N 0.18 0.43 0.11 2.79 -1.94 -0.83 -1.81 119.30 118.24 1xwe s MET 1602Ca -0.06 -1.02 0.03 0.00 -1.71 0.00 0.00 55.69 52.93 1xwe s MET 1602Cb -0.12 -1.21 -0.04 0.00 2.01 0.00 0.00 34.83 35.48 1xwe s MET 1602CO 0.02 -1.15 -0.09 0.20 -0.01 0.00 0.00 175.02 173.99 1xwe s GLY 1603N 1.44 0.88 0.68 -0.03 0.00 -0.78 -3.17 107.32 106.34 1xwe s GLY 1603Ca 0.15 -1.30 -0.11 0.00 0.00 0.00 0.00 44.72 43.45 1xwe s GLY 1603CO -0.12 -1.39 0.47 0.58 0.00 0.00 0.00 173.10 172.64 1xwe n LYS 1604N 0.22 -2.88 -1.42 2.90 -0.00 -1.26 -0.28 118.16 115.44 1xwe n LYS 1604Ca -0.14 -0.78 -0.32 0.00 -0.00 0.00 0.00 58.31 57.08 1xwe n LYS 1604Cb 0.59 -0.88 0.08 0.00 -0.00 0.00 0.00 35.03 34.82 1xwe n LYS 1604CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1xwe s GLU 1605N -4.10 2.40 0.88 -1.58 2.12 -1.26 -4.27 118.70 112.88 1xwe s GLU 1605Ca 0.34 1.29 -0.15 0.00 0.36 0.00 0.00 54.97 56.81 1xwe s GLU 1605Cb -0.05 -1.91 0.21 0.00 0.26 0.00 0.00 34.13 32.65 1xwe s GLU 1605CO 0.27 -1.55 0.98 0.00 -0.54 0.00 0.00 175.26 174.42 1xwe n ALA 1606N -3.11 -1.97 -3.76 6.30 0.00 -1.26 -5.02 120.51 111.67 1xwe n ALA 1606Ca 0.10 -1.35 -0.32 0.00 0.00 0.00 0.00 53.44 51.87 1xwe n ALA 1606Cb 0.52 -0.08 -0.16 0.00 0.00 0.00 0.00 19.45 19.73 1xwe n ALA 1606CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xwe s LEU 1607N 0.00 2.03 0.33 0.00 2.01 -1.26 -5.05 118.68 116.75 1xwe s LEU 1607Ca 0.59 -0.58 -0.29 0.00 0.01 0.00 0.00 54.13 53.86 1xwe s LEU 1607Cb -0.04 -1.39 -0.10 0.00 0.01 0.00 0.00 46.19 44.67 1xwe s LEU 1607CO 0.43 0.05 1.32 -1.58 1.01 0.00 0.00 176.35 177.58 1xwe s GLN 1608N 0.96 4.35 0.00 1.70 0.74 -1.26 -4.32 119.66 121.82 1xwe s GLN 1608Ca -0.04 2.23 0.00 0.00 0.05 0.00 0.00 55.36 57.60 1xwe s GLN 1608Cb -0.15 -3.07 0.00 0.00 1.10 0.00 0.00 33.01 30.89 1xwe s GLN 1608CO -0.04 -0.20 0.00 0.44 -0.55 0.00 0.00 175.29 174.93 1xwe n ILE 1609N 0.80 0.00 -2.66 -2.34 -5.35 -0.94 -4.98 119.36 103.88 1xwe n ILE 1609Ca 0.00 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.43 1xwe n ILE 1609Cb 0.42 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.27 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 -0.17 -4.27 0.00 6.28 0.00 -1.26 -4.82 118.16 113.91 1xwe n LYS 1610Ca 0.00 3.24 0.00 0.00 0.00 0.00 0.00 58.31 61.55 1xwe n LYS 1610Cb 0.00 -4.65 0.00 0.00 0.00 0.00 0.00 35.03 30.38 1xwe n LYS 1610CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1xwe n TYR 1611N 1.79 -0.15 -4.50 5.64 9.36 -1.26 -4.81 117.16 123.22 1xwe n TYR 1611Ca -0.38 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.54 1xwe n TYR 1611Cb 0.59 0.44 -0.12 0.00 -0.63 0.00 0.00 39.34 39.61 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 -4.55 3.79 0.00 2.98 0.02 -1.26 -4.89 114.94 111.03 1xwe s ASN 1612Ca 0.00 -0.51 0.00 0.00 -1.02 0.00 0.00 52.86 51.33 1xwe s ASN 1612Cb 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 41.25 40.72 1xwe s ASN 1612CO 0.00 0.22 0.00 0.00 0.02 0.00 0.00 177.10 177.34 1xwe n ALA 1613N 1.19 0.00 -0.22 0.60 0.00 -1.26 -1.96 120.51 118.87 1xwe n ALA 1613Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1xwe n ALA 1613Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1xwe n ALA 1613CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xwe n SER 1614N 1.90 0.00 -3.62 0.00 7.64 -1.26 -5.14 113.62 113.14 1xwe n SER 1614Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1xwe n SER 1614Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1xwe n SER 1614CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1xwe s PHE 1615N 0.00 -0.21 -0.09 1.43 -0.12 -0.83 -4.69 117.98 113.47 1xwe s PHE 1615Ca 0.00 0.40 0.04 0.00 -0.05 0.00 0.00 56.93 57.32 1xwe s PHE 1615Cb 0.00 0.46 0.00 0.00 -0.63 0.00 0.00 43.02 42.85 1xwe s PHE 1615CO 0.00 -0.17 -0.21 1.03 -0.05 0.00 0.00 175.22 175.83 1xwe s ARG 1616N -0.76 2.63 -0.51 1.99 1.81 -1.26 -4.64 118.95 118.20 1xwe s ARG 1616Ca 0.04 -0.75 0.04 0.00 -1.72 0.00 0.00 55.73 53.34 1xwe s ARG 1616Cb -0.02 -2.03 0.41 0.00 -0.45 0.00 0.00 34.95 32.86 1xwe s ARG 1616CO -0.05 0.15 1.32 0.66 -0.68 0.00 0.00 175.30 176.70 1xwe n TYR 1617N 3.56 3.28 -1.81 -0.53 4.01 -1.26 -2.22 117.16 122.18 1xwe n TYR 1617Ca -0.20 -2.89 -0.40 0.00 -0.16 0.00 0.00 57.90 54.25 1xwe n TYR 1617Cb 0.53 -0.35 0.01 0.00 -0.31 0.00 0.00 39.34 39.22 1xwe n TYR 1617CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1xwe s ILE 1618N -5.36 2.08 -0.07 -0.72 -4.36 -1.26 -4.61 121.20 106.89 1xwe s ILE 1618Ca 0.49 0.07 -0.19 0.00 -0.26 0.00 0.00 60.65 60.76 1xwe s ILE 1618Cb 0.41 -3.04 -0.05 0.00 1.25 0.00 0.00 42.46 41.03 1xwe s ILE 1618CO -0.21 0.01 0.53 -0.31 0.24 0.00 0.00 174.94 175.20 1xwe s TYR 1619N -1.17 3.58 0.00 1.37 2.02 -0.46 -4.01 117.35 118.67 1xwe s TYR 1619Ca 0.58 1.03 0.00 0.00 -0.37 0.00 0.00 57.07 58.31 1xwe s TYR 1619Cb -0.45 -2.58 0.00 0.00 -0.40 0.00 0.00 41.96 38.54 1xwe s TYR 1619CO 0.58 0.25 0.00 -0.35 -1.57 0.00 0.00 175.55 174.46 1xwe n PRO 1620N 3.28 0.36 -3.30 -1.71 -0.04 -1.26 -1.97 135.00 130.36 1xwe n PRO 1620Ca -0.07 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.31 1xwe n PRO 1620Cb 0.51 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 1xwe n PRO 1620CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1xwe s LEU 1621N 0.00 -0.83 0.00 1.53 2.96 -1.08 -4.32 118.68 116.94 1xwe s LEU 1621Ca 0.00 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1xwe s LEU 1621Cb 0.00 1.18 0.00 0.00 0.50 0.00 0.00 46.19 47.87 1xwe s LEU 1621CO 0.00 -0.34 0.00 0.47 -1.32 0.00 0.00 176.35 175.16 1xwe n ASP 1622N 5.36 0.94 0.11 3.68 9.92 -1.26 -4.80 116.55 130.51 1xwe n ASP 1622Ca 0.00 -1.00 -0.03 0.00 -0.53 0.00 0.00 54.79 53.23 1xwe n ASP 1622Cb 0.50 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 41.08 1xwe n ASP 1622CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1xwe h SER 1623N 0.00 0.05 0.42 -2.24 4.64 -1.88 -2.96 113.55 111.58 1xwe h SER 1623Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1xwe h SER 1623Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1xwe h SER 1623CO 0.00 0.74 0.00 0.00 -0.87 0.00 0.00 176.83 176.70 1xwe n LEU 1624N -3.72 0.50 -4.63 5.97 -0.00 -1.26 -4.09 117.00 109.77 1xwe n LEU 1624Ca -0.01 0.66 -0.43 0.00 -0.00 0.00 0.00 56.01 56.23 1xwe n LEU 1624Cb 0.69 -0.64 -0.03 0.00 -0.00 0.00 0.00 43.42 43.45 1xwe n LEU 1624CO 0.44 -0.64 1.39 -0.89 -0.00 0.00 0.00 177.39 177.69 1xwe s THR 1625N -3.32 3.65 -0.38 1.47 2.01 -1.12 -4.90 115.64 113.05 1xwe s THR 1625Ca 0.02 0.74 -0.26 0.00 0.31 0.00 0.00 61.69 62.50 1xwe s THR 1625Cb 0.08 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.96 1xwe s THR 1625CO 0.29 -0.25 0.95 0.86 -0.69 0.00 0.00 174.62 175.77 1xwe s TRP 1626N 5.17 3.05 -0.06 4.92 -0.11 -1.19 -4.76 118.94 125.96 1xwe s TRP 1626Ca 0.73 0.76 0.02 0.00 1.22 0.00 0.00 56.10 58.82 1xwe s TRP 1626Cb -0.26 -3.73 0.02 0.00 -1.50 0.00 0.00 33.47 28.00 1xwe s TRP 1626CO 0.29 -0.88 -0.09 0.42 -4.62 0.00 0.00 176.95 172.08 1xwe s ILE 1627N 3.57 0.88 -0.17 5.86 1.01 -1.25 -1.96 121.20 129.15 1xwe s ILE 1627Ca 0.39 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.66 1xwe s ILE 1627Cb -0.11 -0.84 0.08 0.00 0.01 0.00 0.00 42.46 41.60 1xwe s ILE 1627CO 0.20 0.30 0.32 -0.70 0.00 0.00 0.00 174.94 175.06 1xwe s GLU 1628N 0.77 0.22 0.26 2.79 2.12 -0.79 -1.98 118.70 122.09 1xwe s GLU 1628Ca -0.13 0.80 -0.30 0.00 0.36 0.00 0.00 54.97 55.71 1xwe s GLU 1628Cb -0.15 -0.00 -0.14 0.00 0.26 0.00 0.00 34.13 34.09 1xwe s GLU 1628CO 0.02 -0.32 1.11 0.98 -0.54 0.00 0.00 175.26 176.51 1xwe n TYR 1629N 5.36 1.44 -3.72 5.30 9.36 -1.26 -0.62 117.16 133.02 1xwe n TYR 1629Ca -0.07 0.66 -0.37 0.00 3.32 0.00 0.00 57.90 61.44 1xwe n TYR 1629Cb 0.50 -2.29 -0.12 0.00 -0.63 0.00 0.00 39.34 36.79 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 -0.73 3.13 -0.36 2.98 -0.11 -0.98 -4.79 118.94 118.08 1xwe s TRP 1630Ca 0.63 -0.64 -0.40 0.00 1.22 0.00 0.00 56.10 56.92 1xwe s TRP 1630Cb -0.73 -2.28 -0.15 0.00 -1.50 0.00 0.00 33.47 28.81 1xwe s TRP 1630CO 0.57 -0.46 1.97 -2.30 -4.62 0.00 0.00 176.95 172.11 1xwe n PRO 1631N 4.93 0.84 0.06 5.86 -0.02 -1.26 -4.79 135.00 140.61 1xwe n PRO 1631Ca -0.15 0.27 0.05 0.00 -2.02 0.00 0.00 63.50 61.65 1xwe n PRO 1631Cb 0.50 -2.07 0.46 0.00 -0.02 0.00 0.00 33.50 32.36 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 9.20 0.41 0.00 -0.52 9.65 -1.96 -3.45 114.38 127.71 1xwe h ARG 1632Ca -0.33 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.52 1xwe h ARG 1632Cb 1.34 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 1xwe h ARG 1632CO 1.01 0.29 0.00 -0.25 2.80 0.00 0.00 179.97 183.82 1xwe n ASP 1633N -4.47 0.52 0.00 -3.80 9.92 -1.26 -5.09 116.55 112.37 1xwe n ASP 1633Ca 0.02 -0.93 0.00 0.00 -0.53 0.00 0.00 54.79 53.35 1xwe n ASP 1633Cb 0.08 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.56 1xwe n ASP 1633CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1xwe n THR 1634N 0.00 0.00 0.02 -3.53 -2.24 -1.26 -4.58 114.28 102.70 1xwe n THR 1634Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1xwe n THR 1634Cb 0.00 -0.53 -0.12 0.00 -2.10 0.00 0.00 70.33 67.58 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 -1.44 0.17 -2.20 4.28 -2.24 -1.26 -1.77 114.28 109.82 1xwe n THR 1635Ca 0.00 -0.51 -0.43 0.00 -2.27 0.00 0.00 64.05 60.84 1xwe n THR 1635Cb 0.28 -0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 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 7.77 -5.84 -2.76 0.00 2.88 -1.26 -3.89 113.62 110.53 1xwe n SER 1637Ca 0.17 0.11 -0.02 0.00 -1.33 0.00 0.00 58.87 57.80 1xwe n SER 1637Cb 0.45 -3.72 -0.01 0.00 -0.75 0.00 0.00 64.21 60.18 1xwe n SER 1637CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1xwe n SER 1638N -1.05 -5.65 -0.08 -3.46 2.88 -1.10 -4.99 113.62 100.16 1xwe n SER 1638Ca -0.04 1.28 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 1xwe n SER 1638Cb 0.53 -4.73 0.00 0.00 -0.75 0.00 0.00 64.21 59.26 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xwe h GLN 1640N 0.00 0.00 0.00 0.00 4.15 -1.59 -1.91 115.11 115.75 1xwe h GLN 1640Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1xwe h GLN 1640Cb 1.05 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.74 1xwe h GLN 1640CO 0.00 0.08 -0.00 0.00 -1.93 0.00 0.00 178.83 176.98 1xwe h ALA 1641N 1.92 1.17 0.15 3.38 0.00 -1.89 -2.17 119.26 121.82 1xwe h ALA 1641Ca -0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1xwe h ALA 1641Cb 0.23 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1xwe h ALA 1641CO 0.01 0.00 -1.35 0.35 0.00 0.00 0.00 179.25 178.26 1xwe h PHE 1642N 0.00 0.57 0.00 0.00 3.57 -1.74 -3.29 116.94 116.04 1xwe h PHE 1642Ca -0.00 -0.42 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1xwe h PHE 1642Cb 0.01 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1xwe h PHE 1642CO 0.00 1.53 0.00 1.28 -2.23 0.00 0.00 178.31 178.89 1xwe n LEU 1643N -3.89 0.00 0.05 0.59 4.77 -0.85 -2.62 117.00 115.05 1xwe n LEU 1643Ca -0.22 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.71 1xwe n LEU 1643Cb 0.94 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.93 1xwe n LEU 1643CO 0.46 0.00 -0.02 0.00 -1.33 0.00 0.00 177.39 176.51 1xwe h ALA 1644N 3.08 0.54 0.12 -1.18 0.00 -1.53 -2.80 119.26 117.49 1xwe h ALA 1644Ca 0.00 -0.97 -0.36 0.00 0.00 0.00 0.00 54.91 53.59 1xwe h ALA 1644Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1xwe h ALA 1644CO 0.00 1.19 -1.95 -0.91 0.00 0.00 0.00 179.25 177.58 1xwe h ASN 1645N 0.00 0.41 0.94 0.00 2.35 -1.69 -3.35 115.58 114.24 1xwe h ASN 1645Ca -0.09 -0.90 -0.02 0.00 -0.55 0.00 0.00 56.30 54.73 1xwe h ASN 1645Cb 1.75 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.98 1xwe h ASN 1645CO 0.10 1.80 -0.12 -0.07 -1.65 0.00 0.00 177.43 177.49 1xwe h LEU 1646N 0.07 0.00 -0.46 1.61 4.07 -1.69 -3.06 115.31 115.85 1xwe h LEU 1646Ca -0.41 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.57 1xwe h LEU 1646Cb 2.04 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.75 1xwe h LEU 1646CO 0.10 0.12 0.29 -0.78 -1.08 0.00 0.00 178.44 177.08 1xwe h ASP 1647N 0.00 0.48 -0.67 -0.43 1.82 -1.63 -2.11 116.42 113.88 1xwe h ASP 1647Ca -0.00 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1xwe h ASP 1647Cb 0.62 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.49 1xwe h ASP 1647CO 0.02 0.35 0.39 -0.08 -1.61 0.00 0.00 179.24 178.30 1xwe h GLU 1648N 0.58 0.93 -0.68 0.28 4.57 -1.71 -2.21 114.58 116.34 1xwe h GLU 1648Ca 0.17 -0.09 0.06 0.00 -1.18 0.00 0.00 59.36 58.32 1xwe h GLU 1648Cb -0.03 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.33 1xwe h GLU 1648CO -0.06 0.68 0.45 0.35 -1.18 0.00 0.00 179.01 179.24 1xwe h PHE 1649N 0.92 0.70 0.58 0.92 3.57 -1.51 -0.83 116.94 121.28 1xwe h PHE 1649Ca 0.24 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1xwe h PHE 1649Cb 0.00 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1xwe h PHE 1649CO -0.01 0.37 -0.29 0.00 -2.23 0.00 0.00 178.31 176.15 1xwe h ALA 1650N 1.63 -1.20 0.00 2.41 0.00 -0.75 -2.37 119.26 118.98 1xwe h ALA 1650Ca 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xwe h ALA 1650Cb 0.26 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xwe h ALA 1650CO -0.09 -1.15 0.00 -1.91 0.00 0.00 0.00 179.25 176.10 1xwe n GLU 1651N -4.16 0.33 0.00 0.00 4.07 -1.15 -2.46 120.64 117.27 1xwe n GLU 1651Ca -0.10 0.08 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1xwe n GLU 1651Cb 0.31 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.19 1xwe n GLU 1651CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1xwe n ASP 1652N -1.16 0.00 0.09 4.31 2.03 -0.33 -2.88 116.55 118.61 1xwe n ASP 1652Ca 0.09 0.29 0.13 0.00 0.52 0.00 0.00 54.79 55.82 1xwe n ASP 1652Cb 0.09 -0.40 0.62 0.00 -0.72 0.00 0.00 41.12 40.72 1xwe n ASP 1652CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1xwe h ILE 1653N 0.00 0.89 0.18 5.18 6.09 -1.51 0.70 117.51 129.04 1xwe h ILE 1653Ca 0.00 -0.03 -0.01 0.00 -1.37 0.00 0.00 64.86 63.45 1xwe h ILE 1653Cb 0.00 0.78 0.00 0.00 0.47 0.00 0.00 36.82 38.07 1xwe h ILE 1653CO 0.00 0.02 -0.09 0.15 -3.07 0.00 0.00 178.15 175.16 1xwe h PHE 1654N 0.10 -0.23 0.00 2.19 3.57 -1.68 -3.20 116.94 117.70 1xwe h PHE 1654Ca 0.15 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1xwe h PHE 1654Cb 0.46 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1xwe h PHE 1654CO -0.00 0.17 -0.03 1.25 -2.23 0.00 0.00 178.31 177.47 1xwe h LEU 1655N -0.74 0.00 0.00 0.59 6.46 -1.32 -3.43 115.31 116.87 1xwe h LEU 1655Ca -0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1xwe h LEU 1655Cb 0.51 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1xwe h LEU 1655CO 0.04 0.09 0.00 0.59 -0.62 0.00 0.00 178.44 178.54 1xwe n ASN 1656N -2.48 0.00 -0.54 1.25 5.03 0.22 -5.04 115.26 113.70 1xwe n ASN 1656Ca -0.00 0.74 0.00 0.00 0.87 0.00 0.00 54.58 56.19 1xwe n ASN 1656Cb 0.02 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 38.51 1xwe n ASN 1656CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xwe n GLY 1657N -0.64 -3.82 0.38 7.41 0.00 0.01 -4.95 105.19 103.58 1xwe n GLY 1657Ca 0.00 -0.81 0.14 0.00 0.00 0.00 0.00 46.02 45.36 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32