#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwe s SER 1509N 0.00 2.78 -0.13 1.61 0.15 -1.26 -5.11 113.70 111.74 1xwe s SER 1509Ca 0.00 -0.89 -0.01 0.00 0.70 0.00 0.00 55.95 55.75 1xwe s SER 1509Cb 0.00 -0.22 0.04 0.00 -1.71 0.00 0.00 66.02 64.13 1xwe s SER 1509CO 0.00 -0.39 -0.03 -1.00 1.20 0.00 0.00 173.24 173.02 1xwe s HIS 1510N 2.14 1.28 0.03 3.44 4.02 -1.26 -5.13 115.29 119.81 1xwe s HIS 1510Ca 0.06 -0.71 0.07 0.00 1.02 0.00 0.00 55.06 55.50 1xwe s HIS 1510Cb -0.16 -1.12 -0.03 0.00 -1.02 0.00 0.00 32.58 30.25 1xwe s HIS 1510CO -0.22 -0.51 -0.18 0.00 1.02 0.00 0.00 174.74 174.84 1xwe s MET 1511N 1.77 2.11 0.00 1.40 0.00 -1.26 -5.10 119.30 118.23 1xwe s MET 1511Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 55.69 54.77 1xwe s MET 1511Cb -0.14 -2.19 -0.00 0.00 0.00 0.00 0.00 34.83 32.50 1xwe s MET 1511CO -0.07 0.55 0.00 0.00 0.00 0.00 0.00 175.02 175.50 1xwe n ALA 1512N 1.68 0.01 -0.08 3.16 0.00 -1.26 -5.10 120.51 118.92 1xwe n ALA 1512Ca -0.16 -0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 1xwe n ALA 1512Cb 0.52 0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.41 1.62 0.00 0.00 9.92 -1.26 -4.49 116.55 119.93 1xwe n ASP 1513Ca -0.00 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 1xwe n ASP 1513Cb 0.01 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 1xwe n ASP 1513CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xwe n GLY 1515N 0.00 -0.33 3.54 0.00 0.00 -1.26 -3.48 105.19 103.66 1xwe n GLY 1515Ca 0.00 0.12 -0.57 0.00 0.00 0.00 0.00 46.02 45.57 1xwe n GLY 1515CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xwe n GLN 1516N 7.55 0.44 -5.19 1.61 7.27 -1.23 -3.53 117.38 124.29 1xwe n GLN 1516Ca 0.38 0.16 -0.30 0.00 0.07 0.00 0.00 57.00 57.30 1xwe n GLN 1516Cb 0.44 -1.71 -0.16 0.00 2.41 0.00 0.00 30.24 31.23 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 0.27 2.00 0.26 3.69 -1.94 -1.26 -4.67 119.30 117.65 1xwe s MET 1517Ca 0.89 -0.96 -0.05 0.00 -1.71 0.00 0.00 55.69 53.86 1xwe s MET 1517Cb -1.16 -1.99 -0.05 0.00 2.01 0.00 0.00 34.83 33.64 1xwe s MET 1517CO 0.54 0.54 0.52 -0.65 -0.01 0.00 0.00 175.02 175.96 1xwe s GLN 1518N -0.75 3.64 0.49 2.03 -1.52 -1.25 -5.07 119.66 117.24 1xwe s GLN 1518Ca 0.10 -0.01 -0.21 0.00 -1.95 0.00 0.00 55.36 53.29 1xwe s GLN 1518Cb -0.10 -2.68 -0.07 0.00 -0.22 0.00 0.00 33.01 29.94 1xwe s GLN 1518CO -0.00 0.26 1.15 -1.21 -0.25 0.00 0.00 175.29 175.24 1xwe s GLU 1519N -3.38 3.59 0.34 2.91 0.41 -1.26 -4.72 118.70 116.58 1xwe s GLU 1519Ca 0.43 1.71 -0.17 0.00 -0.41 0.00 0.00 54.97 56.53 1xwe s GLU 1519Cb -0.11 -2.24 -0.09 0.00 -1.78 0.00 0.00 34.13 29.91 1xwe s GLU 1519CO 0.28 -0.68 0.80 -1.83 -0.49 0.00 0.00 175.26 173.34 1xwe s GLU 1520N -2.94 4.11 -1.31 1.61 -1.05 -1.26 -3.84 118.70 114.02 1xwe s GLU 1520Ca 0.67 0.83 0.00 0.00 -0.15 0.00 0.00 54.97 56.33 1xwe s GLU 1520Cb -0.27 -2.44 0.00 0.00 -0.44 0.00 0.00 34.13 30.98 1xwe s GLU 1520CO 0.32 0.15 0.00 1.28 0.95 0.00 0.00 175.26 177.95 1xwe n LEU 1521N -0.26 -1.43 -4.05 1.83 4.32 -1.26 -4.82 117.00 111.33 1xwe n LEU 1521Ca 0.04 0.12 -0.39 0.00 -0.02 0.00 0.00 56.01 55.76 1xwe n LEU 1521Cb 0.53 -2.43 -0.04 0.00 -1.62 0.00 0.00 43.42 39.86 1xwe n LEU 1521CO 0.41 -0.16 2.00 -0.67 -1.22 0.00 0.00 177.39 177.74 1xwe n ASP 1522N -1.87 3.20 -4.56 -1.43 2.03 -1.25 -4.87 116.55 107.80 1xwe n ASP 1522Ca -0.18 -2.74 -0.32 0.00 0.52 0.00 0.00 54.79 52.06 1xwe n ASP 1522Cb 0.64 -1.46 -0.04 0.00 -0.72 0.00 0.00 41.12 39.53 1xwe n ASP 1522CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1xwe s LEU 1523N 4.69 3.27 0.00 -2.67 1.43 -1.26 -3.61 118.68 120.53 1xwe s LEU 1523Ca 0.59 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1xwe s LEU 1523Cb 0.08 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.75 1xwe s LEU 1523CO 0.09 -2.34 0.00 1.07 0.23 0.00 0.00 176.35 175.40 1xwe n THR 1524N 7.48 0.00 -3.10 5.49 5.66 -1.26 -5.13 114.28 123.41 1xwe n THR 1524Ca 0.34 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.95 1xwe n THR 1524Cb 0.49 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.22 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 5.04 0.85 1.09 1.01 -1.24 -5.06 121.20 122.89 1xwe s ILE 1525Ca 0.00 1.35 -0.12 0.00 0.00 0.00 0.00 60.65 61.88 1xwe s ILE 1525Cb 0.00 -3.99 0.10 0.00 0.01 0.00 0.00 42.46 38.58 1xwe s ILE 1525CO 0.00 0.29 1.10 -0.44 0.00 0.00 0.00 174.94 175.89 1xwe s SER 1526N 0.61 3.97 0.03 3.58 0.01 -1.26 -4.92 113.70 115.71 1xwe s SER 1526Ca 0.35 1.32 0.19 0.00 1.31 0.00 0.00 55.95 59.12 1xwe s SER 1526Cb -0.17 -2.02 0.79 0.00 0.21 0.00 0.00 66.02 64.83 1xwe s SER 1526CO 0.17 -2.30 1.60 0.00 0.41 0.00 0.00 173.24 173.11 1xwe n ALA 1527N -3.65 1.82 -0.04 1.44 0.00 -1.26 -2.82 120.51 115.99 1xwe n ALA 1527Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 1xwe n ALA 1527Cb 0.56 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.59 1.41 0.27 0.00 1.02 -1.26 -3.76 120.64 116.73 1xwe n GLU 1528Ca 0.04 -0.05 0.16 0.00 -0.02 0.00 0.00 57.16 57.30 1xwe n GLU 1528Cb 0.22 -1.33 0.91 0.00 -0.02 0.00 0.00 31.44 31.22 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 0.00 0.45 0.00 2.62 2.02 -1.89 -0.47 112.91 115.64 1xwe h THR 1529Ca -0.23 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.65 1xwe h THR 1529Cb 1.40 0.94 -0.06 0.00 -1.74 0.00 0.00 68.15 68.70 1xwe h THR 1529CO 0.01 0.00 -2.13 -1.14 0.37 0.00 0.00 175.52 172.63 1xwe n ARG 1530N -3.75 1.02 0.01 6.66 0.63 -1.24 -4.48 116.66 115.51 1xwe n ARG 1530Ca -0.01 0.04 -0.01 0.00 -0.92 0.00 0.00 57.85 56.95 1xwe n ARG 1530Cb 0.17 -1.41 0.27 0.00 0.45 0.00 0.00 32.46 31.94 1xwe n ARG 1530CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1xwe h LYS 1531N 0.00 0.50 0.00 -0.14 1.63 -1.56 -1.74 116.57 115.25 1xwe h LYS 1531Ca -0.44 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.23 1xwe h LYS 1531Cb 1.87 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.44 1xwe h LYS 1531CO -0.02 0.59 0.11 1.96 -3.45 0.00 0.00 179.45 178.64 1xwe h GLN 1532N 0.47 0.00 0.16 1.90 4.20 -1.32 -0.19 115.11 120.34 1xwe h GLN 1532Ca 0.09 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.51 1xwe h GLN 1532Cb 0.43 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.22 1xwe h GLN 1532CO 0.02 0.00 -1.40 1.15 -0.67 0.00 0.00 178.83 177.93 1xwe h THR 1533N 0.00 1.13 0.00 -0.54 2.02 -1.57 -3.31 112.91 110.64 1xwe h THR 1533Ca 0.00 -2.50 -0.03 0.00 0.77 0.00 0.00 66.41 64.65 1xwe h THR 1533Cb 0.21 2.87 -0.00 0.00 -1.74 0.00 0.00 68.15 69.49 1xwe h THR 1533CO 0.00 0.76 -0.13 0.00 0.37 0.00 0.00 175.52 176.53 1xwe h ALA 1534N 0.05 1.20 -0.00 6.16 0.00 -1.07 -1.54 119.26 124.06 1xwe h ALA 1534Ca -0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xwe h ALA 1534Cb 1.89 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1xwe h ALA 1534CO 0.14 0.16 -0.08 0.00 0.00 0.00 0.00 179.25 179.47 1xwe s LYS 1536N -2.54 4.09 0.00 0.00 1.02 -0.58 -4.93 119.74 116.79 1xwe s LYS 1536Ca 0.28 1.28 0.13 0.00 0.02 0.00 0.00 55.97 57.67 1xwe s LYS 1536Cb 0.20 -2.24 0.54 0.00 -0.52 0.00 0.00 37.83 35.80 1xwe s LYS 1536CO 0.48 -0.17 1.40 -0.35 -0.92 0.00 0.00 175.35 175.79 1xwe n PRO 1537N -0.59 0.00 0.00 -1.68 -0.04 -1.26 -1.86 135.00 129.57 1xwe n PRO 1537Ca 0.07 0.28 0.14 0.00 -0.04 0.00 0.00 63.50 63.95 1xwe n PRO 1537Cb 0.53 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 33.01 1xwe n PRO 1537CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1xwe n GLU 1538N -1.50 0.97 -3.94 0.54 0.28 -1.26 -4.66 120.64 111.08 1xwe n GLU 1538Ca 0.03 -0.47 -0.33 0.00 -0.16 0.00 0.00 57.16 56.23 1xwe n GLU 1538Cb 0.15 -1.49 -0.14 0.00 1.43 0.00 0.00 31.44 31.39 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 -2.35 2.67 -0.06 3.84 -1.09 -0.78 -3.15 121.20 120.29 1xwe s ILE 1539Ca 0.30 -2.02 -0.15 0.00 -2.23 0.00 0.00 60.65 56.55 1xwe s ILE 1539Cb 0.20 -2.81 -0.10 0.00 -1.58 0.00 0.00 42.46 38.17 1xwe s ILE 1539CO 0.45 -0.48 0.60 0.00 -1.23 0.00 0.00 174.94 174.29 1xwe h ALA 1540N 7.82 -0.32 -2.32 9.38 0.00 0.14 -3.45 119.26 130.51 1xwe h ALA 1540Ca -0.11 -0.15 -0.57 0.00 0.00 0.00 0.00 54.91 54.08 1xwe h ALA 1540Cb 1.04 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 1xwe h ALA 1540CO 0.57 -0.33 -0.66 1.52 0.00 0.00 0.00 179.25 180.34 1xwe s TYR 1541N -2.99 2.66 -0.27 0.00 -0.85 -0.78 -4.46 117.35 110.65 1xwe s TYR 1541Ca -0.08 -0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.24 1xwe s TYR 1541Cb 0.00 -1.19 0.15 0.00 0.38 0.00 0.00 41.96 41.30 1xwe s TYR 1541CO 0.29 0.61 0.40 0.00 -1.52 0.00 0.00 175.55 175.33 1xwe s ALA 1542N -2.24 -1.17 0.28 9.51 0.00 -0.82 -2.19 121.76 125.13 1xwe s ALA 1542Ca 0.30 0.50 -0.02 0.00 0.00 0.00 0.00 51.96 52.74 1xwe s ALA 1542Cb -0.07 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.14 1xwe s ALA 1542CO 0.19 -1.56 0.41 2.48 0.00 0.00 0.00 175.76 177.28 1xwe n TYR 1543N 5.36 -1.31 -4.06 0.00 0.18 -0.77 0.34 117.16 116.89 1xwe n TYR 1543Ca -0.01 -1.82 -0.35 0.00 1.88 0.00 0.00 57.90 57.60 1xwe n TYR 1543Cb 0.50 0.46 -0.14 0.00 -0.38 0.00 0.00 39.34 39.78 1xwe n TYR 1543CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1xwe s LYS 1544N -2.58 3.41 0.42 -3.48 2.36 -0.58 -2.10 119.74 117.18 1xwe s LYS 1544Ca 0.22 -0.62 0.06 0.00 -2.55 0.00 0.00 55.97 53.08 1xwe s LYS 1544Cb -0.01 -2.96 -0.07 0.00 -1.05 0.00 0.00 37.83 33.74 1xwe s LYS 1544CO 0.16 -0.11 0.02 0.08 1.55 0.00 0.00 175.35 177.05 1xwe s VAL 1545N 1.24 1.94 -0.18 4.02 1.01 -0.26 -1.07 120.40 127.10 1xwe s VAL 1545Ca 0.03 -1.98 -0.06 0.00 0.00 0.00 0.00 61.98 59.97 1xwe s VAL 1545Cb -0.14 -2.92 0.08 0.00 0.00 0.00 0.00 36.38 33.40 1xwe s VAL 1545CO -0.02 0.00 0.36 -0.55 0.00 0.00 0.00 175.10 174.89 1xwe s SER 1546N -3.74 0.03 0.39 3.32 0.15 -0.77 0.26 113.70 113.34 1xwe s SER 1546Ca 0.33 0.77 -0.26 0.00 0.70 0.00 0.00 55.95 57.49 1xwe s SER 1546Cb 0.09 1.08 -0.11 0.00 -1.71 0.00 0.00 66.02 65.37 1xwe s SER 1546CO 0.17 -0.24 1.27 -0.38 1.20 0.00 0.00 173.24 175.26 1xwe n ILE 1547N 5.37 2.33 0.00 6.45 2.08 -0.59 -2.07 119.36 132.94 1xwe n ILE 1547Ca -0.07 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.74 1xwe n ILE 1547Cb 0.50 -1.56 0.00 0.00 -0.75 0.00 0.00 39.64 37.82 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 -0.00 0.00 -3.74 1.39 -2.24 -0.71 -1.56 114.28 107.42 1xwe n THR 1548Ca 0.06 -0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.67 1xwe n THR 1548Cb 0.38 0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 68.93 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 -0.94 -0.15 -0.03 3.42 0.01 -0.98 -4.77 113.70 110.26 1xwe s SER 1549Ca 0.00 -0.15 0.07 0.00 1.31 0.00 0.00 55.95 57.17 1xwe s SER 1549Cb 0.00 0.37 -0.02 0.00 0.21 0.00 0.00 66.02 66.59 1xwe s SER 1549CO 0.00 -0.62 -0.23 -0.63 0.41 0.00 0.00 173.24 172.16 1xwe s ILE 1550N -2.53 1.87 -0.15 1.44 -1.09 -1.26 -1.79 121.20 117.69 1xwe s ILE 1550Ca -0.05 -1.00 0.01 0.00 -2.23 0.00 0.00 60.65 57.38 1xwe s ILE 1550Cb -0.01 -1.56 0.02 0.00 -1.58 0.00 0.00 42.46 39.33 1xwe s ILE 1550CO -0.03 0.53 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.16 1xwe s THR 1551N -0.41 1.67 -0.12 2.92 2.01 -0.37 -4.93 115.64 116.41 1xwe s THR 1551Ca 0.05 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.32 1xwe s THR 1551Cb -0.10 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1xwe s THR 1551CO 0.00 0.48 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.67 1xwe s VAL 1552N 1.32 3.84 0.00 3.82 1.01 -1.26 -1.83 120.40 127.30 1xwe s VAL 1552Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1xwe s VAL 1552Cb -0.13 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1xwe s VAL 1552CO -0.09 0.54 0.35 1.21 0.00 0.00 0.00 175.10 177.11 1xwe n GLU 1553N 3.00 0.00 0.00 2.72 4.07 -1.26 -4.98 120.64 124.20 1xwe n GLU 1553Ca -0.18 -0.35 0.00 0.00 -0.06 0.00 0.00 57.16 56.58 1xwe n GLU 1553Cb 0.53 -0.47 0.00 0.00 -0.06 0.00 0.00 31.44 31.44 1xwe n GLU 1553CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1xwe n ASN 1554N 0.00 0.00 0.12 4.31 3.02 -1.26 -4.09 115.26 117.36 1xwe n ASN 1554Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 1xwe n ASN 1554Cb 0.44 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.58 1xwe n ASN 1554CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1xwe h VAL 1555N 0.00 0.00 -3.47 2.41 2.07 -1.97 -3.41 116.25 111.89 1xwe h VAL 1555Ca 0.00 -0.02 -0.71 0.00 0.82 0.00 0.00 66.70 66.79 1xwe h VAL 1555Cb 0.00 0.00 -0.31 0.00 -1.52 0.00 0.00 31.29 29.46 1xwe h VAL 1555CO 0.00 0.00 -0.50 -0.36 0.02 0.00 0.00 177.57 176.73 1xwe s PHE 1556N -3.51 3.43 0.12 1.57 0.08 -1.26 -2.97 117.98 115.44 1xwe s PHE 1556Ca -0.04 -1.93 -0.25 0.00 0.12 0.00 0.00 56.93 54.83 1xwe s PHE 1556Cb 0.00 -3.06 -0.07 0.00 -0.57 0.00 0.00 43.02 39.32 1xwe s PHE 1556CO 0.13 -0.91 0.77 0.08 -0.10 0.00 0.00 175.22 175.19 1xwe s VAL 1557N 1.30 4.51 0.18 -0.44 1.01 -0.07 -4.13 120.40 122.77 1xwe s VAL 1557Ca 0.04 1.67 0.08 0.00 0.00 0.00 0.00 61.98 63.78 1xwe s VAL 1557Cb -0.23 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1xwe s VAL 1557CO -0.01 0.46 -0.16 -0.54 0.00 0.00 0.00 175.10 174.85 1xwe s LYS 1558N -0.72 1.29 -0.03 2.72 1.02 -0.76 0.24 119.74 123.51 1xwe s LYS 1558Ca 0.37 -1.48 0.01 0.00 0.02 0.00 0.00 55.97 54.89 1xwe s LYS 1558Cb -0.22 -1.23 0.01 0.00 -0.52 0.00 0.00 37.83 35.87 1xwe s LYS 1558CO 0.25 0.23 -0.04 0.71 -0.92 0.00 0.00 175.35 175.58 1xwe s TYR 1559N -2.45 0.60 -0.32 3.18 2.02 -0.28 -1.24 117.35 118.85 1xwe s TYR 1559Ca 0.19 -0.13 -0.16 0.00 -0.37 0.00 0.00 57.07 56.59 1xwe s TYR 1559Cb -0.04 -0.50 -0.02 0.00 -0.40 0.00 0.00 41.96 41.01 1xwe s TYR 1559CO 0.07 -0.11 0.41 0.21 -1.57 0.00 0.00 175.55 174.56 1xwe s LYS 1560N 0.50 3.74 0.15 -0.62 2.47 -0.74 -1.62 119.74 123.63 1xwe s LYS 1560Ca -0.06 -0.18 0.10 0.00 -1.56 0.00 0.00 55.97 54.27 1xwe s LYS 1560Cb -0.10 -3.75 -0.04 0.00 -1.46 0.00 0.00 37.83 32.48 1xwe s LYS 1560CO -0.00 -0.47 -0.22 0.00 0.16 0.00 0.00 175.35 174.81 1xwe s ALA 1561N 2.15 2.20 -0.23 3.13 0.00 -0.94 -1.74 121.76 126.33 1xwe s ALA 1561Ca 0.15 -1.48 -0.01 0.00 0.00 0.00 0.00 51.96 50.61 1xwe s ALA 1561Cb -0.16 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1xwe s ALA 1561CO 0.11 0.38 -0.09 0.99 0.00 0.00 0.00 175.76 177.16 1xwe s THR 1562N -1.55 2.79 -0.49 0.00 2.01 -0.88 -2.72 115.64 114.80 1xwe s THR 1562Ca 0.15 -0.91 -0.27 0.00 0.31 0.00 0.00 61.69 60.97 1xwe s THR 1562Cb -0.08 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 1xwe s THR 1562CO 0.07 0.31 2.00 -0.22 -0.69 0.00 0.00 174.62 176.09 1xwe s LEU 1563N 1.34 3.38 0.04 4.42 2.96 -1.22 -1.85 118.68 127.76 1xwe s LEU 1563Ca 0.02 0.85 -0.27 0.00 -0.22 0.00 0.00 54.13 54.52 1xwe s LEU 1563Cb -0.15 -2.84 -0.17 0.00 0.50 0.00 0.00 46.19 43.53 1xwe s LEU 1563CO -0.06 -2.30 1.44 -0.07 -1.32 0.00 0.00 176.35 174.04 1xwe h LEU 1564N 16.39 -0.36 -7.57 -0.68 -0.00 -1.42 0.72 115.31 122.39 1xwe h LEU 1564Ca -0.28 -0.11 -0.10 0.00 -0.00 0.00 0.00 57.88 57.39 1xwe h LEU 1564Cb 1.19 0.09 -0.17 0.00 -0.00 0.00 0.00 40.66 41.77 1xwe h LEU 1564CO 1.14 -0.10 -0.27 -0.62 -0.00 0.00 0.00 178.44 178.59 1xwe s ASP 1565N -4.97 -0.11 -0.12 -0.43 -1.08 -0.99 -3.32 116.67 105.66 1xwe s ASP 1565Ca -0.15 -0.17 -0.05 0.00 -0.52 0.00 0.00 52.55 51.66 1xwe s ASP 1565Cb 0.03 0.34 -0.04 0.00 -1.46 0.00 0.00 42.92 41.80 1xwe s ASP 1565CO 0.59 -0.58 0.07 -0.63 0.52 0.00 0.00 175.17 175.15 1xwe s ILE 1566N -2.36 4.91 -0.01 4.11 1.01 -1.26 -1.53 121.20 126.07 1xwe s ILE 1566Ca -0.06 -0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.64 1xwe s ILE 1566Cb -0.02 -3.12 -0.11 0.00 0.01 0.00 0.00 42.46 39.22 1xwe s ILE 1566CO -0.02 0.59 0.15 -1.22 0.00 0.00 0.00 174.94 174.44 1xwe n TYR 1567N 2.28 0.00 -3.30 3.97 4.02 -0.57 -4.92 117.16 118.63 1xwe n TYR 1567Ca -0.19 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.63 1xwe n TYR 1567Cb 0.54 -0.16 -0.06 0.00 -0.02 0.00 0.00 39.34 39.65 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 0.41 0.34 -0.72 2.20 0.15 -4.40 119.74 115.25 1xwe s LYS 1568Ca -0.02 0.38 -0.24 0.00 -0.36 0.00 0.00 55.97 55.73 1xwe s LYS 1568Cb 0.04 -0.26 -0.16 0.00 -1.51 0.00 0.00 37.83 35.95 1xwe s LYS 1568CO 0.28 -0.86 0.26 2.41 -0.36 0.00 0.00 175.35 177.08 1xwe n THR 1569N 5.37 1.16 -3.61 3.43 -1.04 -1.26 -1.94 114.28 116.38 1xwe n THR 1569Ca -0.01 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.14 1xwe n THR 1569Cb 0.50 -0.04 -0.07 0.00 -1.82 0.00 0.00 70.33 68.90 1xwe n THR 1569CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1xwe s GLY 1570N -0.99 2.15 0.56 3.41 0.00 -1.26 -4.29 107.32 106.90 1xwe s GLY 1570Ca 0.61 -0.54 0.25 0.00 0.00 0.00 0.00 44.72 45.04 1xwe s GLY 1570CO 0.60 0.30 2.16 0.83 0.00 0.00 0.00 173.10 176.99 1xwe h GLU 1571N 6.60 0.00 -1.53 2.90 4.39 -1.92 -1.55 114.58 123.46 1xwe h GLU 1571Ca -0.42 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 58.90 1xwe h GLU 1571Cb 1.16 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.65 1xwe h GLU 1571CO 0.75 0.00 0.47 0.00 -1.16 0.00 0.00 179.01 179.07 1xwe n ALA 1572N -2.42 5.44 -2.75 3.43 0.00 -1.26 -4.88 120.51 118.06 1xwe n ALA 1572Ca -0.01 -2.05 -0.01 0.00 0.00 0.00 0.00 53.44 51.37 1xwe n ALA 1572Cb 0.20 -1.52 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 1xwe n ALA 1572CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xwe n VAL 1573N 0.28-11.06 -4.78 0.00 0.31 -0.60 -5.01 118.33 97.47 1xwe n VAL 1573Ca 0.36 1.89 -0.33 0.00 -0.01 0.00 0.00 64.34 66.26 1xwe n VAL 1573Cb 0.58 -6.38 -0.15 0.00 -0.91 0.00 0.00 33.84 26.98 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 -1.33 2.46 0.10 3.52 0.00 -1.12 -4.91 121.76 120.48 1xwe s ALA 1574Ca -0.06 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 50.99 1xwe s ALA 1574Cb 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 1xwe s ALA 1574CO 0.70 0.14 -0.17 -1.21 0.00 0.00 0.00 175.76 175.22 1xwe s GLU 1575N 0.54 1.01 0.24 0.00 0.41 -1.26 -4.48 118.70 115.17 1xwe s GLU 1575Ca -0.11 -1.13 -0.30 0.00 -0.41 0.00 0.00 54.97 53.02 1xwe s GLU 1575Cb -0.16 -1.09 -0.09 0.00 -1.78 0.00 0.00 34.13 31.00 1xwe s GLU 1575CO 0.04 0.24 1.33 0.15 -0.49 0.00 0.00 175.26 176.53 1xwe s LYS 1576N -2.10 4.36 -1.73 1.61 1.02 -1.26 -2.29 119.74 119.35 1xwe s LYS 1576Ca 0.05 2.14 0.00 0.00 0.02 0.00 0.00 55.97 58.18 1xwe s LYS 1576Cb -0.09 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 1xwe s LYS 1576CO 0.04 -0.26 0.00 -3.47 -0.92 0.00 0.00 175.35 170.73 1xwe n ASP 1577N 2.09 -5.18 -2.35 2.83 2.03 0.25 -4.98 116.55 111.24 1xwe n ASP 1577Ca 0.05 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.60 1xwe n ASP 1577Cb 0.42 -4.25 0.00 0.00 -0.72 0.00 0.00 41.12 36.57 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 -1.12 -0.24 -4.19 1.67 2.88 -0.97 -4.81 113.62 106.84 1xwe n SER 1578Ca -0.19 -0.68 -0.32 0.00 -1.33 0.00 0.00 58.87 56.35 1xwe n SER 1578Cb 0.62 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.91 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 -2.40 3.02 0.01 -1.46 2.12 -1.26 -3.36 118.70 115.37 1xwe s GLU 1579Ca 0.00 -0.86 0.02 0.00 0.36 0.00 0.00 54.97 54.49 1xwe s GLU 1579Cb 0.00 -2.37 -0.01 0.00 0.26 0.00 0.00 34.13 32.01 1xwe s GLU 1579CO 0.00 0.06 -0.06 0.96 -0.54 0.00 0.00 175.26 175.68 1xwe s ILE 1580N 0.62 0.44 -0.07 -3.70 -4.36 -1.10 -4.99 121.20 108.04 1xwe s ILE 1580Ca -0.12 -0.56 0.05 0.00 -0.26 0.00 0.00 60.65 59.76 1xwe s ILE 1580Cb -0.17 -0.44 -0.01 0.00 1.25 0.00 0.00 42.46 43.10 1xwe s ILE 1580CO 0.03 -0.09 -0.23 -0.89 0.24 0.00 0.00 174.94 173.99 1xwe s THR 1581N -0.63 1.96 -0.25 8.37 2.01 -1.26 -2.20 115.64 123.63 1xwe s THR 1581Ca -0.03 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.00 1xwe s THR 1581Cb -0.05 -1.68 0.06 0.00 0.01 0.00 0.00 72.50 70.84 1xwe s THR 1581CO 0.00 0.54 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.04 1xwe s PHE 1582N 0.07 2.88 0.62 4.92 0.40 -0.64 -0.51 117.98 125.73 1xwe s PHE 1582Ca -0.10 -2.10 -0.04 0.00 -0.60 0.00 0.00 56.93 54.09 1xwe s PHE 1582Cb -0.15 -1.82 0.04 0.00 0.51 0.00 0.00 43.02 41.60 1xwe s PHE 1582CO 0.05 -0.84 0.91 0.96 0.70 0.00 0.00 175.22 177.01 1xwe s ILE 1583N 1.23 2.83 -0.24 0.64 -4.36 -0.83 -1.13 121.20 119.35 1xwe s ILE 1583Ca -0.06 -0.30 -0.27 0.00 -0.26 0.00 0.00 60.65 59.75 1xwe s ILE 1583Cb -0.19 -3.15 0.13 0.00 1.25 0.00 0.00 42.46 40.50 1xwe s ILE 1583CO -0.06 -0.14 1.08 -0.75 0.24 0.00 0.00 174.94 175.30 1xwe s LYS 1584N -5.03 0.47 0.04 0.37 2.36 0.14 -3.42 119.74 114.68 1xwe s LYS 1584Ca 0.57 0.34 -0.26 0.00 -2.55 0.00 0.00 55.97 54.07 1xwe s LYS 1584Cb -0.11 0.23 -0.05 0.00 -1.05 0.00 0.00 37.83 36.85 1xwe s LYS 1584CO 0.43 -0.10 0.81 0.15 1.55 0.00 0.00 175.35 178.19 1xwe s LYS 1585N -0.37 4.53 0.37 4.03 3.01 -1.26 -0.89 119.74 129.17 1xwe s LYS 1585Ca 0.02 1.15 0.22 0.00 -1.01 0.00 0.00 55.97 56.35 1xwe s LYS 1585Cb -0.03 -3.38 1.22 0.00 -1.01 0.00 0.00 37.83 34.63 1xwe s LYS 1585CO -0.04 0.22 1.67 -0.24 0.51 0.00 0.00 175.35 177.46 1xwe h VAL 1586N 4.22 0.00 0.00 3.17 3.04 -1.75 -1.59 116.25 123.35 1xwe h VAL 1586Ca -0.43 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 1xwe h VAL 1586Cb 1.21 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 1xwe h VAL 1586CO 0.72 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.63 1xwe n THR 1587N -2.32 1.10 -0.89 3.17 -2.24 -1.26 -4.72 114.28 107.12 1xwe n THR 1587Ca -0.01 0.72 -0.31 0.00 -2.27 0.00 0.00 64.05 62.17 1xwe n THR 1587Cb 0.11 -1.71 0.14 0.00 -2.10 0.00 0.00 70.33 66.78 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 -3.91 0.00 0.00 0.00 -2.24 -1.26 -4.86 114.28 102.01 1xwe n THR 1589Ca 0.12 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1xwe n THR 1589Cb 0.52 1.88 0.00 0.00 -2.10 0.00 0.00 70.33 70.63 1xwe n THR 1589CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1xwe n ASN 1590N -0.00 1.24 -4.61 3.42 4.05 -1.25 -4.91 115.26 113.19 1xwe n ASN 1590Ca 0.00 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.60 1xwe n ASN 1590Cb 0.28 0.19 -0.02 0.00 1.23 0.00 0.00 39.78 41.45 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xwe s ALA 1591N -0.87 3.34 -0.05 5.20 0.00 -1.23 -4.57 121.76 123.58 1xwe s ALA 1591Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 1xwe s ALA 1591Cb 0.00 -3.73 0.02 0.00 0.00 0.00 0.00 23.12 19.41 1xwe s ALA 1591CO 0.00 -1.82 0.12 -1.21 0.00 0.00 0.00 175.76 172.85 1xwe s GLU 1592N 3.93 0.13 0.14 0.00 2.02 -1.26 -4.96 118.70 118.69 1xwe s GLU 1592Ca 0.45 0.21 0.08 0.00 0.02 0.00 0.00 54.97 55.72 1xwe s GLU 1592Cb -0.10 0.02 -0.04 0.00 0.10 0.00 0.00 34.13 34.11 1xwe s GLU 1592CO 0.23 -0.05 -0.19 -0.51 0.02 0.00 0.00 175.26 174.76 1xwe s LEU 1593N 0.28 2.38 0.01 1.80 1.43 -1.26 -5.11 118.68 118.20 1xwe s LEU 1593Ca -0.02 -0.78 0.06 0.00 -1.03 0.00 0.00 54.13 52.35 1xwe s LEU 1593Cb -0.03 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.35 1xwe s LEU 1593CO -0.01 -0.01 -0.17 -0.69 0.23 0.00 0.00 176.35 175.70 1xwe s VAL 1594N -1.69 1.36 0.30 -1.59 1.01 -1.26 -5.13 120.40 113.39 1xwe s VAL 1594Ca 0.11 -0.89 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 1xwe s VAL 1594Cb -0.07 -1.16 -0.09 0.00 0.00 0.00 0.00 36.38 35.05 1xwe s VAL 1594CO 0.05 0.25 0.99 -0.75 0.00 0.00 0.00 175.10 175.64 1xwe s LYS 1595N -0.75 4.61 0.00 2.72 2.20 -1.26 -3.39 119.74 123.87 1xwe s LYS 1595Ca 0.06 1.49 0.00 0.00 -0.36 0.00 0.00 55.97 57.16 1xwe s LYS 1595Cb -0.07 -2.97 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 1xwe s LYS 1595CO 0.00 0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.68 1xwe n GLY 1596N 0.91 1.69 3.94 5.54 0.00 -0.60 -4.98 105.19 111.69 1xwe n GLY 1596Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.42 3.49 -0.28 1.61 0.52 -1.22 -4.91 118.95 117.74 1xwe s ARG 1597Ca 0.00 -0.40 -0.13 0.00 -0.52 0.00 0.00 55.73 54.68 1xwe s ARG 1597Cb 0.00 -2.74 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 1xwe s ARG 1597CO 0.00 0.25 0.29 -0.65 0.02 0.00 0.00 175.30 175.21 1xwe s GLN 1598N -4.03 3.94 -0.12 3.54 -0.21 -1.26 -1.54 119.66 119.97 1xwe s GLN 1598Ca 0.39 -0.17 0.01 0.00 0.02 0.00 0.00 55.36 55.61 1xwe s GLN 1598Cb -0.10 -3.67 -0.01 0.00 1.00 0.00 0.00 33.01 30.23 1xwe s GLN 1598CO 0.33 -0.26 -0.17 0.71 -2.12 0.00 0.00 175.29 173.78 1xwe s TYR 1599N 1.92 2.72 -0.04 0.91 2.02 0.14 -1.93 117.35 123.10 1xwe s TYR 1599Ca 0.11 -0.79 -0.23 0.00 -0.37 0.00 0.00 57.07 55.78 1xwe s TYR 1599Cb -0.16 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 1xwe s TYR 1599CO 0.11 -0.29 0.70 -1.17 -1.57 0.00 0.00 175.55 173.32 1xwe s LEU 1600N 0.35 4.35 -0.07 -1.29 1.98 0.01 -1.11 118.68 122.92 1xwe s LEU 1600Ca -0.14 1.23 0.04 0.00 -2.89 0.00 0.00 54.13 52.37 1xwe s LEU 1600Cb -0.17 -3.08 0.00 0.00 0.66 0.00 0.00 46.19 43.60 1xwe s LEU 1600CO 0.07 -0.06 -0.19 -0.63 -1.89 0.00 0.00 176.35 173.65 1xwe s ILE 1601N 0.51 1.63 -0.21 6.68 1.01 -0.89 -2.20 121.20 127.73 1xwe s ILE 1601Ca 0.37 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 1xwe s ILE 1601Cb -0.18 -1.41 0.11 0.00 0.01 0.00 0.00 42.46 40.98 1xwe s ILE 1601CO 0.19 0.46 0.33 -0.04 0.00 0.00 0.00 174.94 175.88 1xwe s MET 1602N 0.23 0.27 0.00 2.79 -1.94 -0.77 -1.86 119.30 118.02 1xwe s MET 1602Ca -0.10 0.56 0.00 0.00 -1.71 0.00 0.00 55.69 54.44 1xwe s MET 1602Cb -0.15 -0.47 0.00 0.00 2.01 0.00 0.00 34.83 36.23 1xwe s MET 1602CO 0.05 -0.53 0.00 0.41 -0.01 0.00 0.00 175.02 174.93 1xwe n GLY 1603N 5.35 1.28 2.28 -0.03 0.00 -0.93 -0.23 105.19 112.91 1xwe n GLY 1603Ca -0.05 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 -2.58 -2.31 1.61 4.76 -1.19 0.74 118.16 119.18 1xwe n LYS 1604Ca 0.00 -0.81 -0.40 0.00 -2.87 0.00 0.00 58.31 54.23 1xwe n LYS 1604Cb 0.00 -1.24 0.03 0.00 -1.84 0.00 0.00 35.03 31.97 1xwe n LYS 1604CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1xwe n GLU 1605N -3.03 4.30 -0.75 1.97 0.28 -1.26 -4.07 120.64 118.07 1xwe n GLU 1605Ca 0.08 -4.14 0.10 0.00 -0.16 0.00 0.00 57.16 53.04 1xwe n GLU 1605Cb 0.33 -2.39 -0.03 0.00 1.43 0.00 0.00 31.44 30.79 1xwe n GLU 1605CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xwe n ALA 1606N -0.19 -2.05 -3.95 -1.84 0.00 -1.26 -4.47 120.51 106.75 1xwe n ALA 1606Ca 0.50 0.24 -0.30 0.00 0.00 0.00 0.00 53.44 53.87 1xwe n ALA 1606Cb 0.25 -0.70 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 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 4.29 -0.15 0.00 1.43 -0.96 -4.95 118.68 118.34 1xwe s LEU 1607Ca 0.00 -2.57 -0.29 0.00 -1.03 0.00 0.00 54.13 50.24 1xwe s LEU 1607Cb 0.00 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 1xwe s LEU 1607CO 0.00 -0.30 1.87 -1.10 0.23 0.00 0.00 176.35 177.05 1xwe s GLN 1608N 0.33 3.72 0.00 1.70 -0.21 -1.26 -4.18 119.66 119.76 1xwe s GLN 1608Ca 0.14 2.02 0.00 0.00 0.02 0.00 0.00 55.36 57.54 1xwe s GLN 1608Cb -0.23 -4.16 0.00 0.00 1.00 0.00 0.00 33.01 29.63 1xwe s GLN 1608CO -0.04 -1.41 0.58 0.44 -2.12 0.00 0.00 175.29 172.73 1xwe n ILE 1609N 6.52 0.00 -1.54 1.08 -5.35 -0.80 -5.00 119.36 114.27 1xwe n ILE 1609Ca 0.22 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.34 1xwe n ILE 1609Cb 0.44 0.79 -0.07 0.00 -1.74 0.00 0.00 39.64 39.06 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 0.00 0.72 0.00 6.28 0.00 -1.24 -3.98 118.16 119.94 1xwe n LYS 1610Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 58.31 58.27 1xwe n LYS 1610Cb 0.54 -2.90 0.00 0.00 0.00 0.00 0.00 35.03 32.68 1xwe n LYS 1610CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1xwe n TYR 1611N 14.45 0.00 -3.74 5.64 4.01 -1.26 -4.90 117.16 131.36 1xwe n TYR 1611Ca 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.20 1xwe n TYR 1611Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 1xwe n TYR 1611CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1xwe n ASN 1612N 0.00 0.00 -0.81 7.72 3.02 -1.26 -5.03 115.26 118.90 1xwe n ASN 1612Ca 0.00 -0.90 0.05 0.00 -0.03 0.00 0.00 54.58 53.69 1xwe n ASN 1612Cb 0.00 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.33 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xwe n ALA 1613N -3.00 2.68 -0.73 5.41 0.00 -1.26 -3.58 120.51 120.03 1xwe n ALA 1613Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1xwe n ALA 1613Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1xwe n ALA 1613CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xwe n SER 1614N 0.44 0.47 -4.20 0.00 3.41 -1.26 -5.08 113.62 107.40 1xwe n SER 1614Ca 0.12 -1.20 -0.14 0.00 -0.26 0.00 0.00 58.87 57.39 1xwe n SER 1614Cb 0.42 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 1xwe n SER 1614CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1xwe s PHE 1615N -0.20 1.09 -0.93 7.33 0.08 -1.23 -5.09 117.98 119.03 1xwe s PHE 1615Ca 0.00 -0.72 0.00 0.00 0.12 0.00 0.00 56.93 56.33 1xwe s PHE 1615Cb 0.00 -0.59 0.00 0.00 -0.57 0.00 0.00 43.02 41.86 1xwe s PHE 1615CO 0.00 0.00 0.00 2.89 -0.10 0.00 0.00 175.22 178.01 1xwe n ARG 1616N 0.27 0.00 -0.09 0.44 1.85 -1.26 -4.22 116.66 113.65 1xwe n ARG 1616Ca -0.14 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.70 1xwe n ARG 1616Cb 0.59 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 32.02 1xwe n ARG 1616CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1xwe n TYR 1617N 1.67 0.23 -1.68 2.89 4.02 -1.26 -1.91 117.16 121.12 1xwe n TYR 1617Ca 0.00 -0.53 -0.41 0.00 -0.01 0.00 0.00 57.90 56.95 1xwe n TYR 1617Cb 0.00 -0.28 0.02 0.00 -0.02 0.00 0.00 39.34 39.06 1xwe n TYR 1617CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 1xwe n ILE 1618N 0.33 2.74 -3.49 -0.72 -5.35 -1.26 -4.51 119.36 107.10 1xwe n ILE 1618Ca 0.04 -0.50 -0.37 0.00 -0.27 0.00 0.00 62.75 61.65 1xwe n ILE 1618Cb 0.56 -1.45 -0.07 0.00 -1.74 0.00 0.00 39.64 36.94 1xwe n ILE 1618CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1xwe s TYR 1619N -1.25 3.52 0.00 4.28 1.51 0.33 -2.27 117.35 123.47 1xwe s TYR 1619Ca 0.64 0.72 0.00 0.00 -1.01 0.00 0.00 57.07 57.42 1xwe s TYR 1619Cb -0.50 -2.37 0.00 0.00 -0.11 0.00 0.00 41.96 38.97 1xwe s TYR 1619CO 0.56 0.30 0.00 -0.35 -1.11 0.00 0.00 175.55 174.95 1xwe n PRO 1620N 3.29 0.01 -3.15 -1.71 -0.04 -1.26 -1.96 135.00 130.18 1xwe n PRO 1620Ca -0.11 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.39 1xwe n PRO 1620Cb 0.52 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 -1.46 0.00 1.53 2.96 -1.22 -4.52 118.68 115.97 1xwe s LEU 1621Ca 0.00 0.45 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 1xwe s LEU 1621Cb 0.00 2.04 0.00 0.00 0.50 0.00 0.00 46.19 48.73 1xwe s LEU 1621CO 0.00 -0.27 0.00 0.47 -1.32 0.00 0.00 176.35 175.23 1xwe n ASP 1622N 5.41 0.46 0.08 3.68 8.00 -1.26 -4.55 116.55 128.37 1xwe n ASP 1622Ca 0.02 -0.24 0.03 0.00 0.71 0.00 0.00 54.79 55.31 1xwe n ASP 1622Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 1xwe n ASP 1622CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1xwe h SER 1623N 0.00 0.00 -0.38 -2.24 4.64 -1.86 -3.28 113.55 110.43 1xwe h SER 1623Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1xwe h SER 1623Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1xwe h SER 1623CO 0.00 0.46 -0.14 0.17 -0.87 0.00 0.00 176.83 176.45 1xwe h LEU 1624N 0.00 0.85 -9.21 5.97 -0.00 -1.94 -3.41 115.31 107.57 1xwe h LEU 1624Ca -0.08 -0.28 -0.56 0.00 -0.00 0.00 0.00 57.88 56.96 1xwe h LEU 1624Cb 1.43 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 41.83 1xwe h LEU 1624CO 0.05 1.00 1.02 -0.89 -0.00 0.00 0.00 178.44 179.61 1xwe s THR 1625N -4.75 3.85 0.15 0.15 2.01 -1.25 -4.96 115.64 110.84 1xwe s THR 1625Ca -0.10 1.03 -0.31 0.00 0.31 0.00 0.00 61.69 62.62 1xwe s THR 1625Cb 0.13 -3.67 -0.09 0.00 0.01 0.00 0.00 72.50 68.88 1xwe s THR 1625CO 0.84 -0.10 1.50 0.86 -0.69 0.00 0.00 174.62 177.03 1xwe s TRP 1626N 3.86 3.12 -0.05 4.92 -0.11 0.68 -4.86 118.94 126.51 1xwe s TRP 1626Ca 0.66 0.77 0.02 0.00 1.22 0.00 0.00 56.10 58.77 1xwe s TRP 1626Cb -0.29 -3.83 0.02 0.00 -1.50 0.00 0.00 33.47 27.87 1xwe s TRP 1626CO 0.24 -3.00 -0.07 0.42 -4.62 0.00 0.00 176.95 169.91 1xwe s ILE 1627N 1.04 0.75 0.12 5.86 1.01 -1.26 -1.84 121.20 126.89 1xwe s ILE 1627Ca 0.67 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 61.13 1xwe s ILE 1627Cb -0.41 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1xwe s ILE 1627CO 0.32 0.27 -0.15 -0.70 0.00 0.00 0.00 174.94 174.68 1xwe s GLU 1628N 0.80 1.03 -0.13 2.79 2.56 -0.93 -3.78 118.70 121.03 1xwe s GLU 1628Ca -0.13 -1.23 -0.10 0.00 0.00 0.00 0.00 54.97 53.51 1xwe s GLU 1628Cb -0.15 -0.95 -0.05 0.00 2.00 0.00 0.00 34.13 34.98 1xwe s GLU 1628CO 0.02 0.19 0.21 -0.47 -0.56 0.00 0.00 175.26 174.64 1xwe s TYR 1629N -2.04 3.54 -0.41 5.30 6.14 -1.26 -0.81 117.35 127.81 1xwe s TYR 1629Ca 0.09 0.56 -0.07 0.00 0.64 0.00 0.00 57.07 58.29 1xwe s TYR 1629Cb -0.05 -2.14 0.09 0.00 0.42 0.00 0.00 41.96 40.28 1xwe s TYR 1629CO 0.03 0.50 0.23 -0.46 0.64 0.00 0.00 175.55 176.50 1xwe s TRP 1630N -0.35 3.42 -0.38 4.97 -0.11 -0.81 -4.71 118.94 120.97 1xwe s TRP 1630Ca 0.15 -1.88 -0.35 0.00 1.22 0.00 0.00 56.10 55.24 1xwe s TRP 1630Cb -0.13 -3.05 -0.12 0.00 -1.50 0.00 0.00 33.47 28.67 1xwe s TRP 1630CO 0.04 -0.91 2.22 -0.35 -4.62 0.00 0.00 176.95 173.33 1xwe n PRO 1631N 4.80 1.00 -0.03 5.86 -0.04 -1.26 -4.31 135.00 141.02 1xwe n PRO 1631Ca -0.08 0.26 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 1xwe n PRO 1631Cb 0.42 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.40 1xwe n PRO 1631CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xwe h ARG 1632N 12.64 -0.03 -6.53 0.54 3.08 -1.96 -3.41 114.38 118.71 1xwe h ARG 1632Ca -0.26 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.27 1xwe h ARG 1632Cb 1.32 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.36 1xwe h ARG 1632CO 1.04 -0.02 0.37 -0.51 -1.07 0.00 0.00 179.97 179.78 1xwe s ASP 1633N -5.18 7.46 0.00 7.04 1.01 -1.26 -4.93 116.67 120.81 1xwe s ASP 1633Ca -0.14 1.77 0.00 0.00 0.71 0.00 0.00 52.55 54.90 1xwe s ASP 1633Cb 0.10 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.44 1xwe s ASP 1633CO 0.68 -0.12 0.70 0.35 0.21 0.00 0.00 175.17 176.99 1xwe n THR 1634N 3.07 0.47 -3.25 -1.27 -2.24 -1.26 -4.82 114.28 104.98 1xwe n THR 1634Ca 0.03 -0.66 -0.26 0.00 -2.27 0.00 0.00 64.05 60.90 1xwe n THR 1634Cb 0.49 0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.24 1.81 -0.02 4.28 -2.24 -1.26 -4.21 114.28 112.40 1xwe n THR 1635Ca 0.00 -5.05 -0.14 0.00 -2.27 0.00 0.00 64.05 56.59 1xwe n THR 1635Cb 0.18 -1.78 -0.02 0.00 -2.10 0.00 0.00 70.33 66.61 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 -3.95 -1.01 0.00 0.00 3.41 -1.26 -5.00 113.62 105.81 1xwe n SER 1637Ca -0.05 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1xwe n SER 1637Cb 0.67 1.26 0.00 0.00 -0.26 0.00 0.00 64.21 65.88 1xwe n SER 1637CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xwe n SER 1638N -2.69 0.00 -3.43 4.04 3.41 -1.26 -5.14 113.62 108.55 1xwe n SER 1638Ca 0.00 -0.86 -0.17 0.00 -0.26 0.00 0.00 58.87 57.58 1xwe n SER 1638Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xwe n GLN 1640N -0.70 0.44 -2.16 0.00 1.13 -1.26 -4.18 117.38 110.65 1xwe n GLN 1640Ca -0.11 0.12 -0.04 0.00 -1.94 0.00 0.00 57.00 55.03 1xwe n GLN 1640Cb 0.34 -1.33 -0.03 0.00 0.11 0.00 0.00 30.24 29.33 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xwe n ALA 1641N -3.15 -3.45 0.00 -1.58 0.00 -1.26 -4.22 120.51 106.85 1xwe n ALA 1641Ca -0.33 1.49 0.00 0.00 0.00 0.00 0.00 53.44 54.60 1xwe n ALA 1641Cb 0.83 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 17.37 1xwe n ALA 1641CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xwe n PHE 1642N 1.02 0.00 0.81 0.00 7.35 -1.26 -4.68 117.46 120.71 1xwe n PHE 1642Ca -0.26 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.51 1xwe n PHE 1642Cb 0.40 -0.01 0.42 0.00 0.35 0.00 0.00 39.48 40.64 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 0.00 0.00 0.00 -2.13 7.99 -1.26 -2.22 117.00 119.38 1xwe n LEU 1643Ca 0.00 0.22 -0.08 0.00 -0.01 0.00 0.00 56.01 56.13 1xwe n LEU 1643Cb 0.00 -0.22 -0.13 0.00 -0.11 0.00 0.00 43.42 42.96 1xwe n LEU 1643CO 0.00 -0.10 -0.34 0.00 -1.51 0.00 0.00 177.39 175.44 1xwe h ALA 1644N 2.81 0.65 0.00 -1.18 0.00 -1.90 -3.25 119.26 116.39 1xwe h ALA 1644Ca 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 54.91 53.57 1xwe h ALA 1644Cb 0.11 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xwe h ALA 1644CO 0.00 1.49 -0.46 -0.91 0.00 0.00 0.00 179.25 179.37 1xwe h ASN 1645N 0.00 0.00 0.85 0.00 4.21 -1.83 -3.28 115.58 115.52 1xwe h ASN 1645Ca -0.21 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.11 1xwe h ASN 1645Cb 1.95 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 39.12 1xwe h ASN 1645CO 0.09 0.12 -0.91 -0.07 -1.29 0.00 0.00 177.43 175.38 1xwe h LEU 1646N 0.00 0.05 -1.18 1.61 3.38 -1.65 -3.20 115.31 114.32 1xwe h LEU 1646Ca -0.01 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1xwe h LEU 1646Cb 1.10 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1xwe h LEU 1646CO 0.01 0.93 0.03 -0.78 0.09 0.00 0.00 178.44 178.73 1xwe h ASP 1647N 0.02 0.55 1.06 -0.43 3.58 -1.61 0.22 116.42 119.81 1xwe h ASP 1647Ca -0.02 -0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.27 1xwe h ASP 1647Cb 1.60 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.49 1xwe h ASP 1647CO 0.12 0.61 -0.27 -0.33 -2.88 0.00 0.00 179.24 176.49 1xwe h GLU 1648N 0.57 0.00 0.00 0.28 5.08 -1.67 -3.00 114.58 115.84 1xwe h GLU 1648Ca 0.12 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1xwe h GLU 1648Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1xwe h GLU 1648CO 0.01 0.27 -1.28 0.34 -1.00 0.00 0.00 179.01 177.34 1xwe n PHE 1649N -3.36 0.80 0.12 4.33 7.35 -0.71 -3.70 117.46 122.29 1xwe n PHE 1649Ca 0.01 0.24 -0.05 0.00 -0.76 0.00 0.00 57.45 56.89 1xwe n PHE 1649Cb 0.49 -0.92 -0.02 0.00 0.35 0.00 0.00 39.48 39.37 1xwe n PHE 1649CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xwe h ALA 1650N 1.84 -1.05 0.00 3.13 0.00 -0.44 -2.44 119.26 120.30 1xwe h ALA 1650Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xwe h ALA 1650Cb 1.16 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xwe h ALA 1650CO 0.01 -1.03 0.00 -1.91 0.00 0.00 0.00 179.25 176.32 1xwe n GLU 1651N -2.85 0.14 0.00 0.00 2.13 -1.24 -2.49 120.64 116.33 1xwe n GLU 1651Ca -0.04 0.18 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1xwe n GLU 1651Cb 0.12 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.33 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 -1.36 0.00 0.29 4.31 2.03 -1.09 -1.60 116.55 119.13 1xwe n ASP 1652Ca 0.06 0.58 0.15 0.00 0.52 0.00 0.00 54.79 56.10 1xwe n ASP 1652Cb 0.14 -0.47 0.90 0.00 -0.72 0.00 0.00 41.12 40.97 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 0.50 0.15 5.18 6.09 -1.51 0.47 117.51 128.40 1xwe h ILE 1653Ca 0.00 -0.11 -0.01 0.00 -1.37 0.00 0.00 64.86 63.37 1xwe h ILE 1653Cb 0.00 1.07 0.00 0.00 0.47 0.00 0.00 36.82 38.36 1xwe h ILE 1653CO 0.00 0.02 -0.07 0.15 -3.07 0.00 0.00 178.15 175.18 1xwe h PHE 1654N 0.00 -0.19 0.00 2.19 3.57 -1.61 -3.15 116.94 117.75 1xwe h PHE 1654Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1xwe h PHE 1654Cb 0.07 0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1xwe h PHE 1654CO 0.00 0.23 -0.05 1.25 -2.23 0.00 0.00 178.31 177.51 1xwe h LEU 1655N -0.91 0.00 0.00 0.59 5.85 -1.05 -3.42 115.31 116.37 1xwe h LEU 1655Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1xwe h LEU 1655Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1xwe h LEU 1655CO 0.03 0.34 0.00 0.59 -0.34 0.00 0.00 178.44 179.06 1xwe n ASN 1656N -3.73 0.00 -0.89 1.25 5.03 0.15 -5.01 115.26 112.07 1xwe n ASN 1656Ca -0.01 0.82 0.09 0.00 0.87 0.00 0.00 54.58 56.35 1xwe n ASN 1656Cb 0.03 -0.42 -0.02 0.00 -1.02 0.00 0.00 39.78 38.34 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 -0.29 -1.76 0.00 7.41 0.00 -0.35 -4.96 105.19 105.25 1xwe n GLY 1657Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32