#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9x s LYS 1503N 0.00 3.30 0.77 9.51 1.02 -1.26 -5.03 119.74 128.05 1a9x s LYS 1503Ca 0.00 -2.70 -0.13 0.00 0.02 0.00 0.00 55.97 53.16 1a9x s LYS 1503Cb 0.00 -4.16 0.06 0.00 -0.52 0.00 0.00 37.83 33.21 1a9x s LYS 1503CO 0.00 -1.24 1.16 -1.12 -0.92 0.00 0.00 175.35 173.22 1a9x s SER 1504N 1.26 4.09 0.07 2.83 0.01 -1.25 0.41 113.70 121.12 1a9x s SER 1504Ca 0.21 2.18 -0.25 0.00 1.31 0.00 0.00 55.95 59.40 1a9x s SER 1504Cb -0.13 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.60 1a9x s SER 1504CO -0.07 -2.32 0.59 0.00 0.41 0.00 0.00 173.24 171.84 1a9x s ALA 1505N -2.34 -1.53 -0.09 1.44 0.00 -1.04 -1.64 121.76 116.57 1a9x s ALA 1505Ca 0.69 0.72 -0.19 0.00 0.00 0.00 0.00 51.96 53.18 1a9x s ALA 1505Cb -0.24 0.49 0.04 0.00 0.00 0.00 0.00 23.12 23.41 1a9x s ALA 1505CO 0.49 -0.58 0.45 -1.17 0.00 0.00 0.00 175.76 174.96 1a9x s LEU 1506N -2.10 0.27 -0.05 0.00 2.96 0.13 -1.13 118.68 118.76 1a9x s LEU 1506Ca -0.04 0.57 0.05 0.00 -0.22 0.00 0.00 54.13 54.49 1a9x s LEU 1506Cb -0.01 1.67 -0.01 0.00 0.50 0.00 0.00 46.19 48.35 1a9x s LEU 1506CO -0.03 -0.37 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.20 1a9x s LEU 1507N -0.66 1.98 -0.00 -0.68 2.96 -0.61 -0.25 118.68 121.41 1a9x s LEU 1507Ca -0.08 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.45 1a9x s LEU 1507Cb -0.03 -1.15 -0.01 0.00 0.50 0.00 0.00 46.19 45.50 1a9x s LEU 1507CO 0.04 0.19 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.45 1a9x s VAL 1508N -0.01 0.95 0.16 1.68 1.01 0.18 -1.20 120.40 123.16 1a9x s VAL 1508Ca -0.05 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1a9x s VAL 1508Cb -0.13 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1a9x s VAL 1508CO 0.03 0.22 0.16 -0.76 0.00 0.00 0.00 175.10 174.75 1a9x s LEU 1509N -0.40 3.89 0.39 3.92 1.43 -0.62 0.51 118.68 127.80 1a9x s LEU 1509Ca 0.04 -0.08 0.23 0.00 -1.03 0.00 0.00 54.13 53.30 1a9x s LEU 1509Cb -0.05 -2.50 1.35 0.00 0.03 0.00 0.00 46.19 45.02 1a9x s LEU 1509CO -0.00 0.07 1.60 -0.08 0.23 0.00 0.00 176.35 178.17 1a9x h GLU 1510N 2.39 0.06 0.00 1.70 4.81 -0.34 0.61 114.58 123.82 1a9x h GLU 1510Ca -0.48 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1a9x h GLU 1510Cb 1.20 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1a9x h GLU 1510CO 0.64 0.04 0.00 -0.40 -0.73 0.00 0.00 179.01 178.56 1a9x n ASP 1511N -5.05 0.00 0.00 1.04 5.75 -1.26 -4.86 116.55 112.16 1a9x n ASP 1511Ca 0.37 0.22 0.00 0.00 -0.01 0.00 0.00 54.79 55.37 1a9x n ASP 1511Cb 1.31 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 41.02 1a9x n ASP 1511CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a9x n GLY 1512N 0.42 1.33 3.74 6.12 0.00 0.21 -5.07 105.19 111.95 1a9x n GLY 1512Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1a9x n GLY 1512CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a9x s THR 1513N -2.24 2.66 0.02 2.61 2.01 -1.25 -4.77 115.64 114.68 1a9x s THR 1513Ca 0.00 0.55 0.08 0.00 0.31 0.00 0.00 61.69 62.63 1a9x s THR 1513Cb 0.00 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 1a9x s THR 1513CO 0.00 0.08 -0.24 -1.10 -0.69 0.00 0.00 174.62 172.68 1a9x s GLN 1514N -0.21 2.00 -0.08 4.92 -0.21 -1.26 -1.59 119.66 123.22 1a9x s GLN 1514Ca 0.60 -1.00 -0.01 0.00 0.02 0.00 0.00 55.36 54.97 1a9x s GLN 1514Cb -0.42 -2.07 0.03 0.00 1.00 0.00 0.00 33.01 31.54 1a9x s GLN 1514CO 0.42 0.54 -0.02 -0.06 -2.12 0.00 0.00 175.29 174.05 1a9x s PHE 1515N -0.77 0.91 -0.20 0.91 0.40 -0.34 -5.00 117.98 113.88 1a9x s PHE 1515Ca 0.12 -0.34 -0.07 0.00 -0.60 0.00 0.00 56.93 56.04 1a9x s PHE 1515Cb -0.10 -0.93 -0.03 0.00 0.51 0.00 0.00 43.02 42.47 1a9x s PHE 1515CO 0.02 -0.38 0.05 -1.01 0.70 0.00 0.00 175.22 174.60 1a9x s HIS 1516N 1.87 3.15 0.00 0.36 3.76 -1.26 -1.58 115.29 121.60 1a9x s HIS 1516Ca 0.05 -0.16 0.00 0.00 -0.15 0.00 0.00 55.06 54.80 1a9x s HIS 1516Cb -0.12 -2.12 0.00 0.00 1.11 0.00 0.00 32.58 31.45 1a9x s HIS 1516CO -0.06 -0.06 0.00 0.41 -0.85 0.00 0.00 174.74 174.18 1a9x n GLY 1517N 4.04 4.95 3.15 -2.22 0.00 -0.29 -4.73 105.19 110.10 1a9x n GLY 1517Ca -0.16 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 1a9x n GLY 1517CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a9x s ARG 1518N 4.90 1.56 0.11 1.61 3.52 0.06 -2.49 118.95 128.22 1a9x s ARG 1518Ca 0.00 -0.61 -0.31 0.00 -0.13 0.00 0.00 55.73 54.68 1a9x s ARG 1518Cb 0.00 -1.44 -0.08 0.00 -1.56 0.00 0.00 34.95 31.88 1a9x s ARG 1518CO 0.00 0.32 1.35 0.00 -0.81 0.00 0.00 175.30 176.16 1a9x s ALA 1519N -0.22 3.55 0.00 6.12 0.00 0.17 -0.10 121.76 131.28 1a9x s ALA 1519Ca 0.02 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1a9x s ALA 1519Cb -0.09 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1a9x s ALA 1519CO 0.00 -0.57 0.29 0.44 0.00 0.00 0.00 175.76 175.92 1a9x n ILE 1520N 3.82 0.00 -0.34 0.00 -5.35 0.11 -4.90 119.36 112.70 1a9x n ILE 1520Ca 0.10 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 1a9x n ILE 1520Cb 0.43 1.41 0.00 0.00 -1.74 0.00 0.00 39.64 39.74 1a9x n ILE 1520CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a9x n GLY 1521N 0.01 5.42 3.72 3.28 0.00 -1.25 -4.57 105.19 111.81 1a9x n GLY 1521Ca 0.00 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 1a9x n GLY 1521CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 1522N -2.00 1.86 0.07 4.61 0.00 0.38 -4.78 121.76 121.90 1a9x s ALA 1522Ca 0.00 0.45 -0.24 0.00 0.00 0.00 0.00 51.96 52.17 1a9x s ALA 1522Cb 0.00 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 1a9x s ALA 1522CO 0.00 -2.26 0.74 0.99 0.00 0.00 0.00 175.76 175.22 1a9x s THR 1523N -2.74 4.65 -5.00 0.00 2.01 -1.26 -4.43 115.64 108.87 1a9x s THR 1523Ca 0.64 1.58 0.00 0.00 0.31 0.00 0.00 61.69 64.22 1a9x s THR 1523Cb -0.20 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.22 1a9x s THR 1523CO 0.56 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 175.53 1a9x n GLY 1524N 2.13 0.32 3.13 4.40 0.00 -0.64 -4.98 105.19 109.55 1a9x n GLY 1524Ca -0.04 -1.35 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 1a9x n GLY 1524CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a9x s SER 1525N -4.00 0.87 -0.13 1.61 1.04 -1.26 -0.04 113.70 111.80 1a9x s SER 1525Ca 0.00 -0.94 -0.11 0.00 0.48 0.00 0.00 55.95 55.39 1a9x s SER 1525Cb 0.00 0.12 0.04 0.00 0.10 0.00 0.00 66.02 66.28 1a9x s SER 1525CO 0.00 -0.47 0.34 0.00 0.98 0.00 0.00 173.24 174.08 1a9x s ALA 1526N -3.39 -0.84 -0.03 5.32 0.00 -0.18 -4.90 121.76 117.73 1a9x s ALA 1526Ca 0.07 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.09 1a9x s ALA 1526Cb 0.04 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.55 1a9x s ALA 1526CO -0.06 -0.18 -0.09 0.08 0.00 0.00 0.00 175.76 175.52 1a9x s VAL 1527N 0.46 0.77 -0.73 0.00 1.01 -1.26 -0.73 120.40 119.92 1a9x s VAL 1527Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1a9x s VAL 1527Cb -0.04 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1a9x s VAL 1527CO -0.02 0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1a9x n GLY 1528N 3.42 -1.27 3.76 4.51 0.00 -1.09 -4.79 105.19 109.74 1a9x n GLY 1528Ca -0.19 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 1a9x n GLY 1528CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a9x s GLU 1529N -0.35 4.36 -0.16 1.61 2.12 -0.75 -0.82 118.70 124.71 1a9x s GLU 1529Ca 0.00 0.80 -0.20 0.00 0.36 0.00 0.00 54.97 55.93 1a9x s GLU 1529Cb 0.00 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 1a9x s GLU 1529CO 0.00 0.33 0.58 0.08 -0.54 0.00 0.00 175.26 175.71 1a9x s VAL 1530N -0.08 5.08 0.17 3.70 1.01 0.34 0.22 120.40 130.84 1a9x s VAL 1530Ca 0.33 1.11 0.06 0.00 0.00 0.00 0.00 61.98 63.48 1a9x s VAL 1530Cb -0.18 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1a9x s VAL 1530CO 0.18 0.19 -0.12 0.68 0.00 0.00 0.00 175.10 176.03 1a9x s VAL 1531N 1.42 1.43 -0.01 2.92 -7.23 0.53 -4.09 120.40 115.37 1a9x s VAL 1531Ca 0.28 -2.10 0.05 0.00 -1.81 0.00 0.00 61.98 58.41 1a9x s VAL 1531Cb -0.16 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 1a9x s VAL 1531CO 0.11 -0.65 -0.15 0.72 -0.31 0.00 0.00 175.10 174.82 1a9x s PHE 1532N -3.07 2.66 -0.07 2.82 -0.12 -1.26 -0.13 117.98 118.80 1a9x s PHE 1532Ca 0.18 -0.19 0.02 0.00 -0.05 0.00 0.00 56.93 56.90 1a9x s PHE 1532Cb 0.00 -1.56 0.01 0.00 -0.63 0.00 0.00 43.02 40.84 1a9x s PHE 1532CO 0.03 0.22 -0.13 1.21 -0.05 0.00 0.00 175.22 176.50 1a9x s ASN 1533N -1.07 1.93 0.00 1.98 3.84 0.71 -4.46 114.94 117.88 1a9x s ASN 1533Ca 0.13 -0.33 0.23 0.00 0.21 0.00 0.00 52.86 53.10 1a9x s ASN 1533Cb -0.11 -0.89 0.86 0.00 -0.55 0.00 0.00 41.25 40.56 1a9x s ASN 1533CO 0.03 0.04 1.62 0.35 -2.79 0.00 0.00 177.10 176.35 1a9x n THR 1534N 3.81 0.15 -1.68 -5.21 -2.24 -0.95 -2.06 114.28 106.11 1a9x n THR 1534Ca -0.22 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 60.83 1a9x n THR 1534Cb 0.52 0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 1a9x n THR 1534CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1a9x n SER 1535N 0.21 4.12 0.11 3.42 7.64 -1.26 -4.73 113.62 123.13 1a9x n SER 1535Ca 0.17 0.95 0.13 0.00 1.01 0.00 0.00 58.87 61.13 1a9x n SER 1535Cb 0.32 -1.54 0.38 0.00 -1.01 0.00 0.00 64.21 62.36 1a9x n SER 1535CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1a9x h MET 1536N 9.49 0.00 -4.57 1.43 2.86 -1.98 -3.41 114.93 118.75 1a9x h MET 1536Ca -0.48 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 56.93 1a9x h MET 1536Cb 1.23 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.74 1a9x h MET 1536CO 0.95 0.00 -0.65 0.95 1.06 0.00 0.00 176.91 179.22 1a9x s THR 1537N -3.11 0.25 0.00 2.22 -4.23 -1.26 -4.95 115.64 104.56 1a9x s THR 1537Ca 0.10 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 1a9x s THR 1537Cb 0.12 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.80 1a9x s THR 1537CO 0.61 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 1a9x n GLY 1538N -0.18 0.62 0.35 3.99 0.00 -1.26 -4.89 105.19 103.82 1a9x n GLY 1538Ca -0.04 -0.76 0.06 0.00 0.00 0.00 0.00 46.02 45.27 1a9x n GLY 1538CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1a9x h TYR 1539N 0.00 1.06 -0.39 1.61 -0.00 -1.92 -1.45 116.97 115.88 1a9x h TYR 1539Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 58.73 58.79 1a9x h TYR 1539Cb 0.21 -0.33 -0.03 0.00 0.00 0.00 0.00 36.73 36.57 1a9x h TYR 1539CO 0.00 0.43 0.19 0.37 -0.00 0.00 0.00 178.16 179.15 1a9x h GLN 1540N 0.94 0.37 -0.60 0.10 4.15 -1.91 0.45 115.11 118.62 1a9x h GLN 1540Ca 0.46 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.81 1a9x h GLN 1540Cb 0.44 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 1a9x h GLN 1540CO -0.26 0.25 0.15 0.93 -1.93 0.00 0.00 178.83 177.97 1a9x h GLU 1541N 0.38 0.92 0.16 1.69 3.07 -1.51 -1.80 114.58 117.50 1a9x h GLU 1541Ca 0.17 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1a9x h GLU 1541Cb 0.08 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1a9x h GLU 1541CO -0.12 0.82 -0.08 0.82 -1.40 0.00 0.00 179.01 179.05 1a9x h ILE 1542N 0.89 0.95 -0.85 3.13 2.04 -0.40 -3.00 117.51 120.27 1a9x h ILE 1542Ca 0.19 -0.53 0.22 0.00 1.00 0.00 0.00 64.86 65.74 1a9x h ILE 1542Cb 0.31 1.27 -0.13 0.00 -0.74 0.00 0.00 36.82 37.53 1a9x h ILE 1542CO -0.00 0.12 0.22 -0.07 0.00 0.00 0.00 178.15 178.42 1a9x h LEU 1543N -0.47 0.00 -2.09 1.44 3.38 -0.70 -2.12 115.31 114.76 1a9x h LEU 1543Ca -0.02 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1a9x h LEU 1543Cb 0.37 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1a9x h LEU 1543CO 0.04 -0.12 0.00 0.35 0.09 0.00 0.00 178.44 178.79 1a9x n THR 1544N -5.21 1.17 -3.20 0.22 -2.24 -0.70 -1.89 114.28 102.43 1a9x n THR 1544Ca 0.20 -0.70 -0.40 0.00 -2.27 0.00 0.00 64.05 60.88 1a9x n THR 1544Cb 0.63 -0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 1a9x n THR 1544CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a9x s ASP 1545N -0.65 6.52 0.50 3.42 2.15 -0.80 -2.48 116.67 125.32 1a9x s ASP 1545Ca 0.29 0.63 0.23 0.00 0.43 0.00 0.00 52.55 54.13 1a9x s ASP 1545Cb 0.20 -2.30 1.30 0.00 -0.30 0.00 0.00 42.92 41.82 1a9x s ASP 1545CO 0.13 -0.28 1.95 -0.65 -0.17 0.00 0.00 175.17 176.15 1a9x h PRO 1546N 7.82 0.13 -0.21 4.34 0.11 -1.89 0.75 132.00 143.05 1a9x h PRO 1546Ca -0.30 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.87 1a9x h PRO 1546Cb 1.14 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1a9x h PRO 1546CO 0.74 0.09 0.40 0.77 -0.21 0.00 0.00 178.00 179.79 1a9x h SER 1547N 0.14 0.00 -0.03 -2.05 0.02 -1.85 0.35 113.55 110.13 1a9x h SER 1547Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1a9x h SER 1547Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1a9x h SER 1547CO -0.04 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.43 1a9x n TYR 1548N -3.31 0.03 -1.61 3.45 4.01 0.26 -4.24 117.16 115.74 1a9x n TYR 1548Ca 0.03 -0.02 -0.50 0.00 -0.16 0.00 0.00 57.90 57.26 1a9x n TYR 1548Cb 0.51 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.49 1a9x n TYR 1548CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1a9x n SER 1549N -0.61 2.03 -1.91 7.72 2.88 0.12 -1.40 113.62 122.46 1a9x n SER 1549Ca 0.17 1.11 -0.19 0.00 -1.33 0.00 0.00 58.87 58.63 1a9x n SER 1549Cb 0.13 -1.27 -0.04 0.00 -0.75 0.00 0.00 64.21 62.28 1a9x n SER 1549CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1a9x n ARG 1550N 2.60 -1.47 -4.85 -1.46 5.12 -1.26 -4.72 116.66 110.62 1a9x n ARG 1550Ca 0.17 1.05 -0.27 0.00 -1.93 0.00 0.00 57.85 56.88 1a9x n ARG 1550Cb 0.23 -5.52 -0.15 0.00 -1.16 0.00 0.00 32.46 25.86 1a9x n ARG 1550CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1a9x s GLN 1551N -4.40 1.56 -0.36 5.56 -0.21 -0.49 -1.81 119.66 119.51 1a9x s GLN 1551Ca 0.00 -0.85 -0.15 0.00 0.02 0.00 0.00 55.36 54.38 1a9x s GLN 1551Cb 0.00 -1.59 -0.01 0.00 1.00 0.00 0.00 33.01 32.41 1a9x s GLN 1551CO 0.00 0.42 0.35 0.42 -2.12 0.00 0.00 175.29 174.36 1a9x s ILE 1552N -0.64 5.18 -0.28 1.08 1.01 0.61 -0.36 121.20 127.81 1a9x s ILE 1552Ca 0.08 -0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.45 1a9x s ILE 1552Cb -0.08 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 1a9x s ILE 1552CO 0.00 -0.14 0.54 -0.69 0.00 0.00 0.00 174.94 174.65 1a9x s VAL 1553N 1.96 5.04 -0.23 2.92 1.01 -0.72 -0.34 120.40 130.04 1a9x s VAL 1553Ca 0.10 0.83 -0.10 0.00 0.00 0.00 0.00 61.98 62.82 1a9x s VAL 1553Cb -0.17 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1a9x s VAL 1553CO 0.12 0.02 0.14 -0.89 0.00 0.00 0.00 175.10 174.49 1a9x s THR 1554N 2.37 5.20 -0.21 3.92 2.01 0.81 -0.02 115.64 129.73 1a9x s THR 1554Ca 0.22 0.12 -0.06 0.00 0.31 0.00 0.00 61.69 62.28 1a9x s THR 1554Cb -0.15 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 1a9x s THR 1554CO 0.10 0.36 0.04 -0.76 -0.69 0.00 0.00 174.62 173.67 1a9x s LEU 1555N 1.00 3.51 0.24 4.42 1.43 -0.63 -0.20 118.68 128.44 1a9x s LEU 1555Ca 0.07 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.14 1a9x s LEU 1555Cb -0.13 -1.90 0.24 0.00 0.03 0.00 0.00 46.19 44.43 1a9x s LEU 1555CO 0.04 0.08 1.55 0.71 0.23 0.00 0.00 176.35 178.95 1a9x h THR 1556N 5.24 1.45 -2.62 5.49 1.35 -1.74 -3.42 112.91 118.65 1a9x h THR 1556Ca -0.36 -2.21 -0.55 0.00 -0.55 0.00 0.00 66.41 62.74 1a9x h THR 1556Cb 1.18 2.18 -0.01 0.00 -1.73 0.00 0.00 68.15 69.77 1a9x h THR 1556CO 0.63 0.64 1.08 -0.47 -0.25 0.00 0.00 175.52 177.15 1a9x s TYR 1557N -3.55 2.01 0.20 4.73 5.04 -1.26 -4.92 117.35 119.59 1a9x s TYR 1557Ca -0.02 0.21 -0.11 0.00 -2.44 0.00 0.00 57.07 54.71 1a9x s TYR 1557Cb 0.12 -3.91 0.24 0.00 0.35 0.00 0.00 41.96 38.76 1a9x s TYR 1557CO 0.79 -3.82 1.72 -1.00 -1.34 0.00 0.00 175.55 171.90 1a9x h PRO 1558N 9.46 0.27 -5.26 4.97 0.13 -1.95 -3.39 132.00 136.23 1a9x h PRO 1558Ca -0.39 -0.02 -0.66 0.00 -0.87 0.00 0.00 66.00 64.06 1a9x h PRO 1558Cb 1.18 -0.06 -0.16 0.00 0.13 0.00 0.00 31.00 32.09 1a9x h PRO 1558CO 0.95 0.18 0.17 -1.01 -0.23 0.00 0.00 178.00 178.06 1a9x s HIS 1559N -6.12 3.00 -0.22 1.56 3.76 -1.26 -1.62 115.29 114.39 1a9x s HIS 1559Ca -0.13 -0.31 -0.05 0.00 -0.15 0.00 0.00 55.06 54.42 1a9x s HIS 1559Cb 0.16 -3.60 -0.02 0.00 1.11 0.00 0.00 32.58 30.24 1a9x s HIS 1559CO 0.73 -1.06 -0.01 0.42 -0.85 0.00 0.00 174.74 173.97 1a9x s ILE 1560N 2.94 3.66 0.00 0.60 -1.09 -0.84 -4.50 121.20 121.98 1a9x s ILE 1560Ca 0.20 -0.40 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 1a9x s ILE 1560Cb -0.17 -2.67 0.00 0.00 -1.58 0.00 0.00 42.46 38.04 1a9x s ILE 1560CO 0.15 0.41 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 1a9x n GLY 1561N 4.66 1.17 0.47 6.18 0.00 -1.26 -4.15 105.19 112.27 1a9x n GLY 1561Ca -0.18 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.15 1a9x n GLY 1561CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1a9x h ASN 1562N 0.00 0.23 -0.39 1.61 2.35 -1.84 0.17 115.58 117.71 1a9x h ASN 1562Ca 0.00 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1a9x h ASN 1562Cb 0.00 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1a9x h ASN 1562CO 0.00 0.01 0.00 1.33 -1.65 0.00 0.00 177.43 177.12 1a9x n VAL 1563N -4.44 1.56 -4.37 2.81 0.24 -1.26 0.79 118.33 113.66 1a9x n VAL 1563Ca 0.27 -1.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.26 1a9x n VAL 1563Cb 1.13 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 33.69 1a9x n VAL 1563CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 1564N 0.35 1.93 3.28 7.63 0.00 0.61 -4.28 105.19 114.72 1a9x n GLY 1564Ca 0.18 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 1a9x n GLY 1564CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a9x s THR 1565N 0.00 0.10 0.07 2.61 -4.23 -0.74 -4.73 115.64 108.72 1a9x s THR 1565Ca 0.00 -0.90 -0.22 0.00 -1.18 0.00 0.00 61.69 59.40 1a9x s THR 1565Cb 0.00 -1.31 0.05 0.00 1.34 0.00 0.00 72.50 72.58 1a9x s THR 1565CO 0.00 -0.44 0.52 0.54 -0.54 0.00 0.00 174.62 174.70 1a9x s ASN 1566N -2.84 -0.44 0.31 3.99 2.20 -1.26 0.11 114.94 117.01 1a9x s ASN 1566Ca 0.05 0.10 0.00 0.00 -0.94 0.00 0.00 52.86 52.08 1a9x s ASN 1566Cb 0.03 0.51 0.50 0.00 -2.00 0.00 0.00 41.25 40.29 1a9x s ASN 1566CO -0.10 -0.77 1.91 0.44 -2.94 0.00 0.00 177.10 175.63 1a9x h ASP 1567N 2.62 0.74 -0.01 3.54 3.32 -1.99 -2.25 116.42 122.39 1a9x h ASP 1567Ca -0.32 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.62 1a9x h ASP 1567Cb 1.23 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1a9x h ASP 1567CO 0.41 0.65 -0.05 0.00 -1.72 0.00 0.00 179.24 178.54 1a9x h ALA 1568N 1.46 1.70 0.00 3.45 0.00 -1.97 -1.43 119.26 122.47 1a9x h ALA 1568Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1a9x h ALA 1568Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1a9x h ALA 1568CO -0.02 0.23 0.00 -0.25 0.00 0.00 0.00 179.25 179.21 1a9x n ASP 1569N -4.38 0.13 -4.70 0.00 8.00 -0.85 -4.81 116.55 109.94 1a9x n ASP 1569Ca -0.01 -1.88 -0.39 0.00 0.71 0.00 0.00 54.79 53.22 1a9x n ASP 1569Cb 0.19 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 1a9x n ASP 1569CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1a9x s GLU 1570N -1.86 4.32 0.05 -1.24 2.02 -0.54 -3.70 118.70 117.75 1a9x s GLU 1570Ca 0.00 0.57 0.27 0.00 0.02 0.00 0.00 54.97 55.83 1a9x s GLU 1570Cb 0.00 -3.48 0.79 0.00 0.10 0.00 0.00 34.13 31.55 1a9x s GLU 1570CO 0.00 0.03 1.64 0.39 0.02 0.00 0.00 175.26 177.34 1a9x n GLU 1571N 4.06 0.08 -3.35 1.61 -0.58 -1.26 -4.84 120.64 116.36 1a9x n GLU 1571Ca -0.04 0.04 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1a9x n GLU 1571Cb 0.51 -1.57 0.02 0.00 -0.57 0.00 0.00 31.44 29.82 1a9x n GLU 1571CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1a9x n SER 1572N -1.71 -1.78 0.00 1.62 3.41 -1.04 -0.66 113.62 113.47 1a9x n SER 1572Ca 0.06 -2.37 0.10 0.00 -0.26 0.00 0.00 58.87 56.39 1a9x n SER 1572Cb 0.37 3.01 0.45 0.00 -0.26 0.00 0.00 64.21 67.77 1a9x n SER 1572CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1a9x n SER 1573N -1.49 0.00 -3.90 4.04 3.41 -1.26 -4.85 113.62 109.57 1a9x n SER 1573Ca -0.06 0.32 -0.08 0.00 -0.26 0.00 0.00 58.87 58.79 1a9x n SER 1573Cb 0.49 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1a9x n SER 1573CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a9x s GLN 1574N -2.85 1.65 -0.37 4.33 -2.07 -1.26 -5.11 119.66 113.98 1a9x s GLN 1574Ca 0.13 -1.08 -0.26 0.00 -1.82 0.00 0.00 55.36 52.33 1a9x s GLN 1574Cb 0.13 0.55 0.02 0.00 -1.09 0.00 0.00 33.01 32.61 1a9x s GLN 1574CO 0.34 -0.73 0.96 0.08 -1.32 0.00 0.00 175.29 174.62 1a9x s VAL 1575N -3.95 4.54 -0.06 3.63 1.01 -1.26 -4.51 120.40 119.79 1a9x s VAL 1575Ca 0.15 1.24 0.13 0.00 0.00 0.00 0.00 61.98 63.51 1a9x s VAL 1575Cb -0.03 -4.37 -0.12 0.00 0.00 0.00 0.00 36.38 31.86 1a9x s VAL 1575CO 0.07 -0.58 1.05 0.45 0.00 0.00 0.00 175.10 176.08 1a9x h HIS 1576N 8.51 0.00 -2.66 5.22 -0.00 -1.61 -3.47 115.15 121.14 1a9x h HIS 1576Ca -0.23 0.00 -0.59 0.00 -0.00 0.00 0.00 60.37 59.55 1a9x h HIS 1576Cb 1.07 0.00 0.09 0.00 -0.00 0.00 0.00 27.41 28.57 1a9x h HIS 1576CO 0.84 0.73 0.50 0.00 -0.00 0.00 0.00 177.93 180.00 1a9x n ALA 1577N -2.37 0.74 0.06 2.45 0.00 -1.10 -3.82 120.51 116.47 1a9x n ALA 1577Ca -0.06 0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.75 1a9x n ALA 1577Cb 0.88 -2.21 0.19 0.00 0.00 0.00 0.00 19.45 18.31 1a9x n ALA 1577CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1a9x h GLN 1578N 3.57 0.33 -2.30 0.00 5.75 -0.85 -3.47 115.11 118.14 1a9x h GLN 1578Ca -0.44 -0.16 0.18 0.00 -0.15 0.00 0.00 58.65 58.07 1a9x h GLN 1578Cb 1.29 -0.00 -0.09 0.00 1.07 0.00 0.00 27.48 29.75 1a9x h GLN 1578CO 0.71 0.69 0.50 0.20 -2.65 0.00 0.00 178.83 178.28 1a9x s GLY 1579N -4.17 -0.26 -0.06 2.39 0.00 -1.24 -4.41 107.32 99.57 1a9x s GLY 1579Ca -0.05 0.22 0.03 0.00 0.00 0.00 0.00 44.72 44.92 1a9x s GLY 1579CO 0.79 0.03 -0.14 -2.27 0.00 0.00 0.00 173.10 171.51 1a9x s LEU 1580N -2.91 1.75 -0.21 0.66 2.96 -0.94 -1.75 118.68 118.24 1a9x s LEU 1580Ca 0.12 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 1a9x s LEU 1580Cb -0.01 -0.87 0.03 0.00 0.50 0.00 0.00 46.19 45.84 1a9x s LEU 1580CO 0.01 0.07 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.26 1a9x s VAL 1581N 0.45 2.16 0.17 1.68 1.01 0.97 -1.29 120.40 125.56 1a9x s VAL 1581Ca -0.11 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.74 1a9x s VAL 1581Cb -0.14 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 1a9x s VAL 1581CO 0.03 0.34 -0.01 0.27 0.00 0.00 0.00 175.10 175.74 1a9x s ILE 1582N 1.24 0.76 -0.09 2.22 -4.36 -0.76 -1.60 121.20 118.59 1a9x s ILE 1582Ca 0.00 -1.99 0.04 0.00 -0.26 0.00 0.00 60.65 58.44 1a9x s ILE 1582Cb -0.15 -2.10 -0.24 0.00 1.25 0.00 0.00 42.46 41.21 1a9x s ILE 1582CO -0.10 -0.50 0.48 -1.14 0.24 0.00 0.00 174.94 173.93 1a9x n ARG 1583N -0.25 0.69 -3.68 0.37 3.00 -1.25 -2.91 116.66 112.63 1a9x n ARG 1583Ca -0.07 0.27 -0.09 0.00 -0.00 0.00 0.00 57.85 57.96 1a9x n ARG 1583Cb 0.63 -1.74 -0.10 0.00 0.00 0.00 0.00 32.46 31.25 1a9x n ARG 1583CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1a9x s ASP 1584N -6.52 -0.50 -0.23 6.15 -1.08 -0.64 -2.19 116.67 111.66 1a9x s ASP 1584Ca -0.14 0.99 -0.15 0.00 -0.52 0.00 0.00 52.55 52.74 1a9x s ASP 1584Cb 0.07 1.02 -0.04 0.00 -1.46 0.00 0.00 42.92 42.52 1a9x s ASP 1584CO 0.79 -0.21 0.37 -0.22 0.52 0.00 0.00 175.17 176.42 1a9x s LEU 1585N 1.80 4.10 0.61 -1.34 2.96 -1.26 -1.99 118.68 123.55 1a9x s LEU 1585Ca -0.07 0.38 -0.17 0.00 -0.22 0.00 0.00 54.13 54.05 1a9x s LEU 1585Cb -0.09 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.13 1a9x s LEU 1585CO -0.14 -0.11 1.11 -2.16 -1.32 0.00 0.00 176.35 173.74 1a9x s PRO 1586N 1.62 3.06 0.22 0.98 0.04 -1.26 -4.92 135.00 134.73 1a9x s PRO 1586Ca 0.16 1.46 -0.09 0.00 0.04 0.00 0.00 61.00 62.57 1a9x s PRO 1586Cb -0.15 -1.98 0.33 0.00 0.04 0.00 0.00 34.50 32.74 1a9x s PRO 1586CO 0.08 -1.06 1.68 -0.07 0.04 0.00 0.00 177.00 177.67 1a9x h LEU 1587N 0.52 -0.12 -8.58 -3.56 4.07 -1.98 -3.43 115.31 102.22 1a9x h LEU 1587Ca -0.48 0.14 -0.26 0.00 0.08 0.00 0.00 57.88 57.35 1a9x h LEU 1587Cb 1.25 0.22 -0.15 0.00 1.08 0.00 0.00 40.66 43.06 1a9x h LEU 1587CO 0.55 -0.06 -0.67 0.27 -1.08 0.00 0.00 178.44 177.45 1a9x s ILE 1588N -6.11 0.64 -0.03 1.22 -4.36 -1.26 -5.14 121.20 106.16 1a9x s ILE 1588Ca -0.13 -1.96 -0.06 0.00 -0.26 0.00 0.00 60.65 58.23 1a9x s ILE 1588Cb 0.19 -1.99 -0.04 0.00 1.25 0.00 0.00 42.46 41.86 1a9x s ILE 1588CO 0.74 -0.59 0.22 0.00 0.24 0.00 0.00 174.94 175.56 1a9x s ALA 1589N -3.67 3.87 -0.38 2.27 0.00 -1.26 -4.72 121.76 117.87 1a9x s ALA 1589Ca 0.21 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.57 1a9x s ALA 1589Cb 0.06 -2.02 0.16 0.00 0.00 0.00 0.00 23.12 21.32 1a9x s ALA 1589CO 0.01 0.66 0.29 0.45 0.00 0.00 0.00 175.76 177.17 1a9x s SER 1590N -1.55 2.04 -0.27 0.00 0.15 0.24 -4.88 113.70 109.42 1a9x s SER 1590Ca 0.24 -2.55 -0.25 0.00 0.70 0.00 0.00 55.95 54.09 1a9x s SER 1590Cb -0.13 -0.31 0.08 0.00 -1.71 0.00 0.00 66.02 63.96 1a9x s SER 1590CO 0.13 -0.24 0.80 0.21 1.20 0.00 0.00 173.24 175.35 1a9x s ASN 1591N 0.62 -0.68 0.63 5.45 3.84 -1.26 -4.75 114.94 118.79 1a9x s ASN 1591Ca 0.25 1.30 0.36 0.00 0.21 0.00 0.00 52.86 54.98 1a9x s ASN 1591Cb -0.10 1.32 2.05 0.00 -0.55 0.00 0.00 41.25 43.97 1a9x s ASN 1591CO -0.09 -0.22 2.25 2.19 -2.79 0.00 0.00 177.10 178.44 1a9x h PHE 1592N 4.83 0.00 -0.01 0.43 -0.00 -1.98 -1.25 116.94 118.97 1a9x h PHE 1592Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.68 1a9x h PHE 1592Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.12 1a9x h PHE 1592CO 0.36 0.00 -0.27 0.54 -0.00 0.00 0.00 178.31 178.94 1a9x n ARG 1593N -3.42 0.71 -2.05 6.09 1.74 -1.26 -4.92 116.66 113.56 1a9x n ARG 1593Ca -0.02 -0.40 -0.42 0.00 -0.77 0.00 0.00 57.85 56.24 1a9x n ARG 1593Cb 0.15 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 1a9x n ARG 1593CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a9x s ASN 1594N -2.57 6.70 -0.00 0.55 2.47 -0.47 -4.51 114.94 117.11 1a9x s ASN 1594Ca 0.23 2.54 0.01 0.00 0.42 0.00 0.00 52.86 56.06 1a9x s ASN 1594Cb 0.19 -2.60 -0.01 0.00 -1.45 0.00 0.00 41.25 37.38 1a9x s ASN 1594CO 0.54 -0.71 0.03 0.35 -3.72 0.00 0.00 177.10 173.58 1a9x n THR 1595N 3.28 0.00 -3.64 -5.21 -2.24 0.29 -4.92 114.28 101.84 1a9x n THR 1595Ca 0.10 -0.24 -0.06 0.00 -2.27 0.00 0.00 64.05 61.58 1a9x n THR 1595Cb 0.40 0.73 -0.07 0.00 -2.10 0.00 0.00 70.33 69.30 1a9x n THR 1595CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1a9x s GLU 1596N -1.58 0.54 0.73 -0.78 2.12 -1.12 -4.98 118.70 113.64 1a9x s GLU 1596Ca -0.00 0.88 -0.16 0.00 0.36 0.00 0.00 54.97 56.05 1a9x s GLU 1596Cb 0.01 0.14 0.02 0.00 0.26 0.00 0.00 34.13 34.56 1a9x s GLU 1596CO 0.03 -0.10 1.11 -0.40 -0.54 0.00 0.00 175.26 175.36 1a9x n ASP 1597N 3.69 1.00 -0.13 -1.70 5.75 -1.26 -1.79 116.55 122.11 1a9x n ASP 1597Ca -0.18 0.68 -0.09 0.00 -0.01 0.00 0.00 54.79 55.19 1a9x n ASP 1597Cb 0.58 -1.47 -0.00 0.00 -1.03 0.00 0.00 41.12 39.19 1a9x n ASP 1597CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1a9x h LEU 1598N -0.26 0.50 -0.35 -2.12 5.85 -1.85 -0.47 115.31 116.62 1a9x h LEU 1598Ca -0.48 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.19 1a9x h LEU 1598Cb 1.32 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 1a9x h LEU 1598CO 0.48 0.46 0.08 -1.28 -0.34 0.00 0.00 178.44 177.84 1a9x h SER 1599N 0.51 0.04 -0.90 1.25 0.87 -1.92 -0.67 113.55 112.73 1a9x h SER 1599Ca 0.14 0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.82 1a9x h SER 1599Cb 0.08 0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.03 1a9x h SER 1599CO -0.02 0.06 0.56 0.28 -0.53 0.00 0.00 176.83 177.18 1a9x h SER 1600N 0.21 0.87 -0.41 6.23 0.02 -1.81 -0.30 113.55 118.36 1a9x h SER 1600Ca 0.16 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1a9x h SER 1600Cb 0.17 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1a9x h SER 1600CO -0.20 0.54 0.17 0.22 -1.14 0.00 0.00 176.83 176.42 1a9x h TYR 1601N 1.00 0.61 -0.37 3.45 5.03 -0.00 -0.45 116.97 126.23 1a9x h TYR 1601Ca 0.40 -0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.65 1a9x h TYR 1601Cb 0.22 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 1a9x h TYR 1601CO -0.03 0.53 0.16 -0.07 -1.32 0.00 0.00 178.16 177.44 1a9x h LEU 1602N 0.51 0.50 -0.28 2.82 3.38 -0.46 -0.71 115.31 121.08 1a9x h LEU 1602Ca 0.14 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1a9x h LEU 1602Cb 0.17 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1a9x h LEU 1602CO -0.01 0.51 0.11 0.11 0.09 0.00 0.00 178.44 179.24 1a9x h LYS 1603N 0.46 0.23 -0.20 1.13 1.57 -0.95 0.39 116.57 119.20 1a9x h LYS 1603Ca 0.13 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1a9x h LYS 1603Cb 0.15 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1a9x h LYS 1603CO -0.01 0.15 0.14 -0.09 -0.57 0.00 0.00 179.45 179.07 1a9x h ARG 1604N 0.24 0.11 -0.37 3.15 2.43 -0.82 -0.71 114.38 118.40 1a9x h ARG 1604Ca 0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1a9x h ARG 1604Cb 0.08 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1a9x h ARG 1604CO -0.11 0.07 0.00 0.72 -1.51 0.00 0.00 179.97 179.14 1a9x n HIS 1605N -4.50 0.48 -3.18 2.20 8.25 -0.30 -4.93 115.22 113.25 1a9x n HIS 1605Ca 0.01 -0.24 -0.15 0.00 -0.26 0.00 0.00 57.72 57.08 1a9x n HIS 1605Cb 0.20 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.37 1a9x n HIS 1605CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1a9x n ASN 1606N 1.42 -3.81 -4.68 0.41 3.02 0.13 -4.93 115.26 106.82 1a9x n ASN 1606Ca 0.19 -0.41 -0.35 0.00 -0.03 0.00 0.00 54.58 53.98 1a9x n ASN 1606Cb 0.59 -3.78 -0.09 0.00 -0.61 0.00 0.00 39.78 35.88 1a9x n ASN 1606CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1a9x s ILE 1607N -3.24 4.69 -0.17 2.41 -1.09 0.12 -4.81 121.20 119.11 1a9x s ILE 1607Ca 0.24 -0.09 -0.27 0.00 -2.23 0.00 0.00 60.65 58.30 1a9x s ILE 1607Cb -0.11 -3.05 -0.01 0.00 -1.58 0.00 0.00 42.46 37.71 1a9x s ILE 1607CO 0.52 0.54 0.92 -0.69 -1.23 0.00 0.00 174.94 175.00 1a9x s VAL 1608N -0.28 4.81 -0.03 2.92 1.01 -1.26 0.14 120.40 127.71 1a9x s VAL 1608Ca 0.08 1.82 -0.04 0.00 0.00 0.00 0.00 61.98 63.84 1a9x s VAL 1608Cb -0.12 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.05 1a9x s VAL 1608CO 0.02 -0.02 0.09 0.00 0.00 0.00 0.00 175.10 175.19 1a9x s ALA 1609N 2.34 -0.22 0.08 5.51 0.00 -1.26 -2.23 121.76 125.98 1a9x s ALA 1609Ca 0.42 0.14 0.09 0.00 0.00 0.00 0.00 51.96 52.61 1a9x s ALA 1609Cb -0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 1a9x s ALA 1609CO 0.13 -0.08 -0.24 -1.50 0.00 0.00 0.00 175.76 174.07 1a9x s ILE 1610N -0.28 1.98 0.35 0.00 2.07 -0.41 -0.71 121.20 124.20 1a9x s ILE 1610Ca -0.03 -1.49 0.03 0.00 -1.41 0.00 0.00 60.65 57.75 1a9x s ILE 1610Cb -0.02 -1.74 -0.05 0.00 0.13 0.00 0.00 42.46 40.78 1a9x s ILE 1610CO 0.00 0.16 0.10 0.00 -1.91 0.00 0.00 174.94 173.29 1a9x s ALA 1611N -0.95 2.46 -0.98 1.50 0.00 0.86 -1.84 121.76 122.81 1a9x s ALA 1611Ca 0.10 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.36 1a9x s ALA 1611Cb -0.10 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.80 1a9x s ALA 1611CO 0.04 -0.35 0.00 -0.25 0.00 0.00 0.00 175.76 175.19 1a9x n ASP 1612N -0.90 -3.74 -4.66 0.00 8.00 -0.93 -0.76 116.55 113.56 1a9x n ASP 1612Ca -0.03 0.06 -0.24 0.00 0.71 0.00 0.00 54.79 55.29 1a9x n ASP 1612Cb 0.66 -2.78 -0.08 0.00 -0.02 0.00 0.00 41.12 38.90 1a9x n ASP 1612CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1a9x s ILE 1613N -2.51 2.89 -1.07 0.53 -5.25 -1.22 -4.69 121.20 109.87 1a9x s ILE 1613Ca 0.00 -1.89 -0.22 0.00 -0.99 0.00 0.00 60.65 57.55 1a9x s ILE 1613Cb 0.00 -2.85 0.06 0.00 2.95 0.00 0.00 42.46 42.62 1a9x s ILE 1613CO 0.00 -0.23 1.50 -0.62 -1.79 0.00 0.00 174.94 173.79 1a9x s ASP 1614N -3.74 6.58 0.61 4.36 -1.08 -1.26 -4.38 116.67 117.76 1a9x s ASP 1614Ca 0.35 -1.68 0.37 0.00 -0.52 0.00 0.00 52.55 51.06 1a9x s ASP 1614Cb -0.02 -2.56 2.01 0.00 -1.46 0.00 0.00 42.92 40.88 1a9x s ASP 1614CO 0.20 -1.42 2.26 0.71 0.52 0.00 0.00 175.17 177.44 1a9x h THR 1615N 6.50 0.24 -0.09 1.71 1.35 -1.93 -2.73 112.91 117.96 1a9x h THR 1615Ca 0.25 -0.14 -0.07 0.00 -0.55 0.00 0.00 66.41 65.90 1a9x h THR 1615Cb 0.98 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1a9x h THR 1615CO 1.42 0.02 -0.22 -0.09 -0.25 0.00 0.00 175.52 176.40 1a9x h ARG 1616N 0.00 0.31 -0.85 4.72 2.43 -1.92 0.13 114.38 119.21 1a9x h ARG 1616Ca -0.00 -0.21 0.09 0.00 -0.81 0.00 0.00 59.98 59.05 1a9x h ARG 1616Cb 0.11 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.61 1a9x h ARG 1616CO 0.00 0.82 0.50 -0.22 -1.51 0.00 0.00 179.97 179.56 1a9x h LYS 1617N -0.15 0.82 0.31 0.20 3.64 -1.90 0.18 116.57 119.68 1a9x h LYS 1617Ca -0.00 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1a9x h LYS 1617Cb 0.82 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1a9x h LYS 1617CO 0.05 0.54 -0.15 1.25 -2.27 0.00 0.00 179.45 178.87 1a9x h LEU 1618N 0.84 -0.36 -0.87 5.20 5.85 -1.34 -1.22 115.31 123.42 1a9x h LEU 1618Ca 0.40 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.09 1a9x h LEU 1618Cb 0.34 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1a9x h LEU 1618CO -0.24 -0.17 0.56 0.74 -0.34 0.00 0.00 178.44 179.00 1a9x h THR 1619N -0.53 1.17 -0.58 1.05 2.02 -0.61 -1.21 112.91 114.22 1a9x h THR 1619Ca -0.04 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 1a9x h THR 1619Cb 0.39 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1a9x h THR 1619CO 0.07 0.20 0.25 0.03 0.37 0.00 0.00 175.52 176.45 1a9x h ARG 1620N 1.12 0.83 -0.15 6.66 3.08 -0.45 0.06 114.38 125.53 1a9x h ARG 1620Ca 0.34 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 1a9x h ARG 1620Cb -0.04 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 1a9x h ARG 1620CO -0.10 0.66 -0.07 1.25 -1.07 0.00 0.00 179.97 180.64 1a9x h LEU 1621N 0.82 0.33 -0.92 3.04 5.85 -0.41 -1.08 115.31 122.93 1a9x h LEU 1621Ca 0.20 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1a9x h LEU 1621Cb 0.13 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1a9x h LEU 1621CO -0.02 0.67 0.48 -0.07 -0.34 0.00 0.00 178.44 179.16 1a9x h LEU 1622N -0.02 1.12 -0.02 2.25 3.38 -1.04 0.63 115.31 121.61 1a9x h LEU 1622Ca 0.03 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1a9x h LEU 1622Cb 0.55 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1a9x h LEU 1622CO 0.02 0.90 -0.00 -0.09 0.09 0.00 0.00 178.44 179.36 1a9x h ARG 1623N 1.25 0.04 0.28 1.13 2.43 -0.91 0.31 114.38 118.90 1a9x h ARG 1623Ca 0.31 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1a9x h ARG 1623Cb 0.03 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1a9x h ARG 1623CO -0.05 0.38 -0.13 0.93 -1.51 0.00 0.00 179.97 179.59 1a9x h GLU 1624N -0.31 -0.36 -0.02 0.20 4.39 -0.91 -3.30 114.58 114.27 1a9x h GLU 1624Ca 0.01 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1a9x h GLU 1624Cb 0.37 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1a9x h GLU 1624CO 0.00 -0.06 -0.15 1.63 -1.16 0.00 0.00 179.01 179.28 1a9x n LYS 1625N -5.13 1.71 0.00 2.33 5.02 0.22 -5.08 118.16 117.23 1a9x n LYS 1625Ca -0.09 -1.30 0.00 0.00 -2.02 0.00 0.00 58.31 54.90 1a9x n LYS 1625Cb 0.25 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1a9x n LYS 1625CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a9x n GLY 1626N 1.33 -0.50 3.65 0.72 0.00 0.11 -4.97 105.19 105.53 1a9x n GLY 1626Ca 0.14 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 1a9x n GLY 1626CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x n ALA 1627N -0.42 0.52 -3.07 4.61 0.00 -0.23 -4.45 120.51 117.46 1a9x n ALA 1627Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1a9x n ALA 1627Cb 0.00 -2.19 -0.10 0.00 0.00 0.00 0.00 19.45 17.17 1a9x n ALA 1627CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1a9x s GLN 1628N -2.97 0.53 0.27 0.00 -0.21 -1.26 -5.05 119.66 110.98 1a9x s GLN 1628Ca 0.78 -0.43 -0.12 0.00 0.02 0.00 0.00 55.36 55.61 1a9x s GLN 1628Cb -0.40 0.22 -0.08 0.00 1.00 0.00 0.00 33.01 33.75 1a9x s GLN 1628CO 0.45 -0.13 0.63 -0.80 -2.12 0.00 0.00 175.29 173.32 1a9x s ASN 1629N -1.51 6.70 0.16 5.90 0.01 -1.26 -0.51 114.94 124.43 1a9x s ASN 1629Ca -0.13 1.09 -0.01 0.00 -0.71 0.00 0.00 52.86 53.10 1a9x s ASN 1629Cb -0.06 -2.29 0.00 0.00 0.41 0.00 0.00 41.25 39.31 1a9x s ASN 1629CO 0.01 -0.13 0.22 0.61 -1.51 0.00 0.00 177.10 176.30 1a9x n GLY 1630N -0.23 2.64 3.45 0.66 0.00 0.00 0.40 105.19 112.12 1a9x n GLY 1630Ca 0.02 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 1a9x n GLY 1630CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ILE 1632N 0.62 3.32 -0.14 0.00 1.01 0.09 0.47 121.20 126.58 1a9x s ILE 1632Ca -0.03 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.07 1a9x s ILE 1632Cb -0.05 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 40.04 1a9x s ILE 1632CO -0.04 0.53 -0.20 -0.63 0.00 0.00 0.00 174.94 174.60 1a9x s ILE 1633N 0.16 1.92 -0.21 2.92 1.01 0.66 -1.02 121.20 126.64 1a9x s ILE 1633Ca -0.05 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 1a9x s ILE 1633Cb -0.15 -1.72 0.02 0.00 0.01 0.00 0.00 42.46 40.62 1a9x s ILE 1633CO 0.04 0.52 -0.11 0.00 0.00 0.00 0.00 174.94 175.39 1a9x s ALA 1634N 1.01 2.58 0.00 9.38 0.00 0.95 -0.69 121.76 134.98 1a9x s ALA 1634Ca -0.03 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1a9x s ALA 1634Cb -0.15 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.49 1a9x s ALA 1634CO -0.05 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1a9x n GLY 1635N 4.68 0.79 0.32 0.00 0.00 -0.65 -1.62 105.19 108.70 1a9x n GLY 1635Ca -0.19 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 1a9x n GLY 1635CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a9x h ASP 1636N 0.00 -0.78 -2.32 1.61 3.32 -1.96 -3.33 116.42 112.97 1a9x h ASP 1636Ca 0.00 0.07 -0.55 0.00 0.02 0.00 0.00 57.03 56.57 1a9x h ASP 1636Cb 0.00 0.27 -0.37 0.00 0.22 0.00 0.00 39.33 39.45 1a9x h ASP 1636CO 0.00 -0.42 -0.90 0.20 -1.72 0.00 0.00 179.24 176.40 1a9x s ASN 1637N -4.69 1.63 -0.05 6.45 -0.87 -1.26 -4.77 114.94 111.38 1a9x s ASN 1637Ca -0.16 -2.67 -0.35 0.00 -1.57 0.00 0.00 52.86 48.11 1a9x s ASN 1637Cb 0.06 -0.23 -0.13 0.00 -0.02 0.00 0.00 41.25 40.93 1a9x s ASN 1637CO 0.64 -0.21 1.76 -2.65 -2.57 0.00 0.00 177.10 174.07 1a9x n PRO 1638N 3.25 1.95 -2.48 -0.60 -0.02 -1.26 -4.93 135.00 130.91 1a9x n PRO 1638Ca 0.23 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 62.01 1a9x n PRO 1638Cb 0.45 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.40 1a9x n PRO 1638CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1a9x s ASP 1639N 3.08 6.30 0.41 2.55 2.15 -1.26 -4.88 116.67 125.03 1a9x s ASP 1639Ca 0.90 0.26 0.19 0.00 0.43 0.00 0.00 52.55 54.32 1a9x s ASP 1639Cb -0.76 -2.55 0.89 0.00 -0.30 0.00 0.00 42.92 40.20 1a9x s ASP 1639CO 0.50 -1.57 1.86 0.00 -0.17 0.00 0.00 175.17 175.79 1a9x h ALA 1640N 10.31 1.22 0.15 3.66 0.00 -1.99 0.14 119.26 132.75 1a9x h ALA 1640Ca -0.26 -0.28 -0.29 0.00 0.00 0.00 0.00 54.91 54.08 1a9x h ALA 1640Cb 1.08 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1a9x h ALA 1640CO 1.17 0.38 -1.32 0.00 0.00 0.00 0.00 179.25 179.49 1a9x h ALA 1641N 1.69 0.07 0.09 0.00 0.00 -2.00 -2.59 119.26 116.52 1a9x h ALA 1641Ca -0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 54.91 54.00 1a9x h ALA 1641Cb 0.66 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1a9x h ALA 1641CO 0.04 0.94 -0.04 1.25 0.00 0.00 0.00 179.25 181.44 1a9x h LEU 1642N 0.09 -0.10 -0.84 0.00 5.85 -1.84 -2.21 115.31 116.26 1a9x h LEU 1642Ca -0.17 -0.14 0.15 0.00 0.84 0.00 0.00 57.88 58.57 1a9x h LEU 1642Cb 2.01 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 42.97 1a9x h LEU 1642CO 0.21 0.07 0.41 0.00 -0.34 0.00 0.00 178.44 178.80 1a9x h ALA 1643N 0.62 1.25 -0.75 1.25 0.00 -0.77 -0.06 119.26 120.80 1a9x h ALA 1643Ca -0.01 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1a9x h ALA 1643Cb 0.23 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1a9x h ALA 1643CO 0.02 -0.13 0.35 1.25 0.00 0.00 0.00 179.25 180.74 1a9x h LEU 1644N 0.57 1.00 -0.03 0.00 5.85 -1.24 -0.77 115.31 120.68 1a9x h LEU 1644Ca 0.46 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1a9x h LEU 1644Cb 0.68 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1a9x h LEU 1644CO -0.38 0.86 0.02 -0.08 -0.34 0.00 0.00 178.44 178.52 1a9x h GLU 1645N 1.07 0.04 -0.59 1.25 4.81 -0.41 0.28 114.58 121.02 1a9x h GLU 1645Ca 0.26 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1a9x h GLU 1645Cb 0.13 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1a9x h GLU 1645CO -0.03 0.05 0.33 0.87 -0.73 0.00 0.00 179.01 179.50 1a9x h LYS 1646N 0.03 0.81 -0.64 1.92 1.57 -1.13 0.36 116.57 119.49 1a9x h LYS 1646Ca 0.01 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1a9x h LYS 1646Cb 0.01 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1a9x h LYS 1646CO -0.00 0.59 0.19 0.00 -0.57 0.00 0.00 179.45 179.66 1a9x h ALA 1647N 1.55 0.83 -0.03 3.86 0.00 -0.53 -1.59 119.26 123.36 1a9x h ALA 1647Ca 0.21 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1a9x h ALA 1647Cb 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1a9x h ALA 1647CO -0.04 0.51 -0.70 0.00 0.00 0.00 0.00 179.25 179.03 1a9x h ARG 1648N 0.92 0.14 0.00 0.00 3.08 -0.26 -2.93 114.38 115.32 1a9x h ARG 1648Ca 0.20 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1a9x h ARG 1648Cb 0.30 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1a9x h ARG 1648CO -0.01 0.78 0.00 0.00 -1.07 0.00 0.00 179.97 179.67 1a9x n ALA 1649N -2.44 2.13 -1.78 0.04 0.00 0.12 -4.82 120.51 113.76 1a9x n ALA 1649Ca -0.02 -0.03 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 1a9x n ALA 1649Cb 0.68 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 1a9x n ALA 1649CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1a9x s PHE 1650N -3.09 2.80 0.12 0.00 5.36 -0.63 -4.90 117.98 117.64 1a9x s PHE 1650Ca 0.10 0.80 -0.16 0.00 -0.96 0.00 0.00 56.93 56.72 1a9x s PHE 1650Cb 0.14 -4.03 -0.02 0.00 -0.34 0.00 0.00 43.02 38.77 1a9x s PHE 1650CO 0.51 -3.47 1.63 -1.00 -1.46 0.00 0.00 175.22 171.43 1a9x h PRO 1651N 4.97 0.61 0.00 10.12 0.13 -1.90 -3.50 132.00 142.43 1a9x h PRO 1651Ca -0.47 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1a9x h PRO 1651Cb 1.22 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1a9x h PRO 1651CO 0.80 0.64 0.00 0.41 -0.23 0.00 0.00 178.00 179.61 1a9x n GLY 1652N -0.59 2.61 0.20 1.56 0.00 -1.26 -4.84 105.19 102.87 1a9x n GLY 1652Ca -0.01 -1.82 0.10 0.00 0.00 0.00 0.00 46.02 44.29 1a9x n GLY 1652CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a9x h LEU 1653N 0.00 0.00 -9.35 0.99 4.07 -1.95 -3.40 115.31 105.67 1a9x h LEU 1653Ca 0.00 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.42 1a9x h LEU 1653Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1a9x h LEU 1653CO 0.00 0.15 1.02 0.21 -1.08 0.00 0.00 178.44 178.74 1a9x s ASN 1654N -6.23 6.67 -0.04 -0.43 3.04 -1.26 -1.45 114.94 115.25 1a9x s ASN 1654Ca 0.05 2.32 0.00 0.00 0.04 0.00 0.00 52.86 55.27 1a9x s ASN 1654Cb 0.06 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 37.23 1a9x s ASN 1654CO 0.68 -0.88 0.00 0.61 -3.04 0.00 0.00 177.10 174.46 1a9x n GLY 1655N 4.02 0.45 3.59 1.21 0.00 -1.26 -5.02 105.19 108.17 1a9x n GLY 1655Ca 0.16 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1a9x n GLY 1655CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1a9x s MET 1656N -0.53 3.93 -0.36 1.61 0.00 -0.53 -4.84 119.30 118.59 1a9x s MET 1656Ca 0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 55.69 55.23 1a9x s MET 1656Cb 0.00 -3.67 0.01 0.00 0.00 0.00 0.00 34.83 31.17 1a9x s MET 1656CO 0.00 -0.23 0.73 0.34 0.00 0.00 0.00 175.02 175.86 1a9x s ASP 1657N 1.72 6.51 0.00 1.11 2.15 -1.26 -1.49 116.67 125.41 1a9x s ASP 1657Ca 0.09 0.29 0.09 0.00 0.43 0.00 0.00 52.55 53.46 1a9x s ASP 1657Cb -0.16 -2.37 -0.06 0.00 -0.30 0.00 0.00 42.92 40.03 1a9x s ASP 1657CO 0.11 -0.67 0.48 0.18 -0.17 0.00 0.00 175.17 175.09 1a9x n LEU 1658N 6.27 0.73 -0.26 -1.34 4.77 -1.26 -4.59 117.00 121.32 1a9x n LEU 1658Ca 0.01 -0.61 -0.06 0.00 -0.03 0.00 0.00 56.01 55.33 1a9x n LEU 1658Cb 0.48 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.62 1a9x n LEU 1658CO 0.52 0.16 1.07 0.00 -1.33 0.00 0.00 177.39 177.81 1a9x h ALA 1659N 1.44 0.91 0.00 -1.18 0.00 -1.80 -2.46 119.26 116.17 1a9x h ALA 1659Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1a9x h ALA 1659Cb 0.26 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1a9x h ALA 1659CO 0.00 0.47 -0.16 1.57 0.00 0.00 0.00 179.25 181.12 1a9x h LYS 1660N 0.98 0.00 0.00 0.00 2.10 -1.88 -2.25 116.57 115.52 1a9x h LYS 1660Ca 0.24 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.86 1a9x h LYS 1660Cb 0.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 1a9x h LYS 1660CO -0.03 0.16 -0.17 0.93 -2.00 0.00 0.00 179.45 178.34 1a9x h GLU 1661N 0.00 0.00 -0.01 0.07 4.39 -1.71 -3.32 114.58 114.00 1a9x h GLU 1661Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1a9x h GLU 1661Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1a9x h GLU 1661CO 0.02 0.17 0.00 1.33 -1.16 0.00 0.00 179.01 179.37 1a9x n VAL 1662N -3.18 0.35 -1.67 3.13 0.24 -1.04 -5.04 118.33 111.13 1a9x n VAL 1662Ca 0.02 -0.68 -0.32 0.00 -2.04 0.00 0.00 64.34 61.32 1a9x n VAL 1662Cb 0.54 0.84 0.05 0.00 -1.47 0.00 0.00 33.84 33.80 1a9x n VAL 1662CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1a9x s THR 1663N -0.40 3.34 0.63 3.34 -1.32 -0.87 -4.60 115.64 115.76 1a9x s THR 1663Ca 0.01 0.57 -0.16 0.00 -1.21 0.00 0.00 61.69 60.91 1a9x s THR 1663Cb 0.01 -3.10 -0.01 0.00 -1.51 0.00 0.00 72.50 67.89 1a9x s THR 1663CO 0.01 -0.43 1.11 0.28 -2.21 0.00 0.00 174.62 173.38 1a9x s THR 1664N -2.50 3.25 -0.02 5.08 -1.32 -1.26 -4.94 115.64 113.94 1a9x s THR 1664Ca 0.65 0.62 -0.21 0.00 -1.21 0.00 0.00 61.69 61.54 1a9x s THR 1664Cb -0.19 -3.15 -0.23 0.00 -1.51 0.00 0.00 72.50 67.41 1a9x s THR 1664CO 0.45 -0.32 1.08 0.00 -2.21 0.00 0.00 174.62 173.61 1a9x h ALA 1665N 0.29 0.06 -2.67 11.08 0.00 -1.98 -3.39 119.26 122.65 1a9x h ALA 1665Ca -0.47 -0.53 -0.47 0.00 0.00 0.00 0.00 54.91 53.44 1a9x h ALA 1665Cb 1.25 0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.90 1a9x h ALA 1665CO 0.55 0.25 -0.76 -1.83 0.00 0.00 0.00 179.25 177.46 1a9x s GLU 1666N -3.20 1.23 0.53 0.00 -1.05 -1.26 -4.85 118.70 110.09 1a9x s GLU 1666Ca -0.14 -1.43 -0.20 0.00 -0.15 0.00 0.00 54.97 53.05 1a9x s GLU 1666Cb 0.03 -1.14 -0.06 0.00 -0.44 0.00 0.00 34.13 32.51 1a9x s GLU 1666CO 0.79 0.21 1.16 0.00 0.95 0.00 0.00 175.26 178.38 1a9x s ALA 1667N -2.40 2.76 0.13 -0.84 0.00 -1.26 -4.73 121.76 115.42 1a9x s ALA 1667Ca 0.16 0.91 -0.03 0.00 0.00 0.00 0.00 51.96 53.00 1a9x s ALA 1667Cb -0.04 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1a9x s ALA 1667CO 0.06 -0.82 0.11 1.52 0.00 0.00 0.00 175.76 176.62 1a9x s TYR 1668N -1.65 0.70 -0.13 0.00 1.13 -0.25 -4.96 117.35 112.20 1a9x s TYR 1668Ca 0.71 -1.09 -0.04 0.00 -1.41 0.00 0.00 57.07 55.24 1a9x s TYR 1668Cb -0.27 -0.36 -0.03 0.00 -1.10 0.00 0.00 41.96 40.20 1a9x s TYR 1668CO 0.31 -0.56 0.02 0.45 -2.51 0.00 0.00 175.55 173.26 1a9x s SER 1669N -3.01 5.37 -0.06 -0.18 0.15 -1.26 0.16 113.70 114.87 1a9x s SER 1669Ca 0.21 0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.99 1a9x s SER 1669Cb 0.06 -1.71 0.01 0.00 -1.71 0.00 0.00 66.02 62.68 1a9x s SER 1669CO 0.00 0.29 -0.12 0.86 1.20 0.00 0.00 173.24 175.48 1a9x s TRP 1670N -0.37 1.38 -0.01 3.44 -0.11 -0.63 -4.96 118.94 117.68 1a9x s TRP 1670Ca 0.08 -0.48 0.23 0.00 1.22 0.00 0.00 56.10 57.14 1a9x s TRP 1670Cb -0.12 -1.01 0.38 0.00 -1.50 0.00 0.00 33.47 31.22 1a9x s TRP 1670CO 0.02 -0.25 1.15 0.25 -4.62 0.00 0.00 176.95 173.50 1a9x n THR 1671N 3.76 0.03 -4.23 5.86 -2.24 -1.26 -1.78 114.28 114.40 1a9x n THR 1671Ca -0.23 -0.92 -0.34 0.00 -2.27 0.00 0.00 64.05 60.30 1a9x n THR 1671Cb 0.52 0.95 -0.12 0.00 -2.10 0.00 0.00 70.33 69.58 1a9x n THR 1671CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1a9x s GLN 1672N -0.07 3.74 0.00 -0.78 0.74 -1.26 0.12 119.66 122.14 1a9x s GLN 1672Ca 0.30 -0.48 0.00 0.00 0.05 0.00 0.00 55.36 55.23 1a9x s GLN 1672Cb 0.34 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 31.43 1a9x s GLN 1672CO -0.15 0.20 0.00 0.41 -0.55 0.00 0.00 175.29 175.20 1a9x n GLY 1673N 3.69 -1.08 3.88 2.59 0.00 -1.26 -3.97 105.19 109.03 1a9x n GLY 1673Ca -0.17 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 1a9x n GLY 1673CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a9x s SER 1674N -1.00 6.00 0.60 1.61 1.04 -1.25 -4.62 113.70 116.07 1a9x s SER 1674Ca 0.00 1.28 -0.15 0.00 0.48 0.00 0.00 55.95 57.56 1a9x s SER 1674Cb 0.00 -2.28 -0.03 0.00 0.10 0.00 0.00 66.02 63.80 1a9x s SER 1674CO 0.00 -0.98 1.06 0.86 0.98 0.00 0.00 173.24 175.15 1a9x s TRP 1675N -3.19 3.01 0.03 5.02 -0.00 -1.26 -4.27 118.94 118.27 1a9x s TRP 1675Ca 0.55 1.50 0.03 0.00 -0.00 0.00 0.00 56.10 58.18 1a9x s TRP 1675Cb -0.11 -3.00 -0.02 0.00 -0.00 0.00 0.00 33.47 30.35 1a9x s TRP 1675CO 0.52 -1.11 -0.09 0.95 -0.00 0.00 0.00 176.95 177.23 1a9x s THR 1676N -2.49 0.66 0.25 5.86 -4.23 -0.42 -4.94 115.64 110.33 1a9x s THR 1676Ca 0.63 -0.82 -0.04 0.00 -1.18 0.00 0.00 61.69 60.28 1a9x s THR 1676Cb -0.16 -0.64 0.22 0.00 1.34 0.00 0.00 72.50 73.25 1a9x s THR 1676CO 0.38 -0.14 1.78 0.25 -0.54 0.00 0.00 174.62 176.35 1a9x h LEU 1677N 5.03 0.56 -0.06 4.79 5.85 -1.98 0.57 115.31 130.08 1a9x h LEU 1677Ca -0.34 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 1a9x h LEU 1677Cb 1.19 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1a9x h LEU 1677CO 0.44 0.29 -0.10 0.74 -0.34 0.00 0.00 178.44 179.47 1a9x h THR 1678N 0.68 1.41 -0.10 1.05 2.02 -2.03 -3.36 112.91 112.58 1a9x h THR 1678Ca 0.41 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 66.19 1a9x h THR 1678Cb 0.47 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1a9x h THR 1678CO -0.30 0.39 0.00 0.61 0.37 0.00 0.00 175.52 176.59 1a9x n GLY 1679N 0.41 0.49 7.00 2.16 0.00 -1.13 -5.08 105.19 109.04 1a9x n GLY 1679Ca -0.08 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1a9x n GLY 1679CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 1680N 0.73 1.93 3.71 -0.02 0.00 0.20 -4.41 105.19 107.33 1a9x n GLY 1680Ca 0.09 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1a9x n GLY 1680CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9x s LEU 1681N 0.00 4.36 0.63 0.99 1.43 -1.26 -1.30 118.68 123.53 1a9x s LEU 1681Ca 0.00 1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 54.68 1a9x s LEU 1681Cb 0.00 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 1a9x s LEU 1681CO 0.00 -0.31 1.04 -2.16 0.23 0.00 0.00 176.35 175.15 1a9x s PRO 1682N 1.13 3.50 0.61 1.29 0.04 -1.26 -5.01 135.00 135.31 1a9x s PRO 1682Ca 0.52 0.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.15 1a9x s PRO 1682Cb -0.22 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1a9x s PRO 1682CO 0.27 -0.64 1.14 -0.65 0.04 0.00 0.00 177.00 177.16 1a9x s GLN 1683N -5.17 3.00 0.46 4.56 -1.52 -1.26 -4.76 119.66 114.98 1a9x s GLN 1683Ca 0.55 1.58 -0.25 0.00 -1.95 0.00 0.00 55.36 55.30 1a9x s GLN 1683Cb -0.11 -1.96 -0.08 0.00 -0.22 0.00 0.00 33.01 30.64 1a9x s GLN 1683CO 0.54 -1.12 1.42 0.00 -0.25 0.00 0.00 175.29 175.88 1a9x s ALA 1684N -1.96 3.19 0.69 6.09 0.00 -1.26 -4.69 121.76 123.82 1a9x s ALA 1684Ca 0.72 1.46 -0.11 0.00 0.00 0.00 0.00 51.96 54.02 1a9x s ALA 1684Cb -0.24 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 19.29 1a9x s ALA 1684CO 0.34 -1.23 1.08 0.15 0.00 0.00 0.00 175.76 176.11 1a9x s LYS 1685N -2.51 2.98 0.01 0.00 1.02 0.12 -4.96 119.74 116.39 1a9x s LYS 1685Ca 0.62 0.57 -0.23 0.00 0.02 0.00 0.00 55.97 56.96 1a9x s LYS 1685Cb -0.43 -2.03 -0.05 0.00 -0.52 0.00 0.00 37.83 34.80 1a9x s LYS 1685CO 0.55 -0.98 0.67 0.15 -0.92 0.00 0.00 175.35 174.83 1a9x s LYS 1686N -5.28 4.40 0.38 1.68 1.02 -1.26 -4.77 119.74 115.90 1a9x s LYS 1686Ca 0.58 0.88 0.20 0.00 0.02 0.00 0.00 55.97 57.65 1a9x s LYS 1686Cb -0.11 -3.36 1.24 0.00 -0.52 0.00 0.00 37.83 35.07 1a9x s LYS 1686CO 0.53 0.30 1.64 0.93 -0.92 0.00 0.00 175.35 177.83 1a9x h GLU 1687N 5.78 0.18 0.00 1.68 5.08 -1.96 0.19 114.58 125.54 1a9x h GLU 1687Ca -0.44 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1a9x h GLU 1687Cb 1.20 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1a9x h GLU 1687CO 0.71 0.12 0.00 0.38 -1.00 0.00 0.00 179.01 179.22 1a9x h ASP 1688N 0.19 0.00 0.65 1.42 2.03 -2.02 -2.22 116.42 116.47 1a9x h ASP 1688Ca 0.78 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 57.08 1a9x h ASP 1688Cb 2.04 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.54 1a9x h ASP 1688CO -0.58 0.00 -0.15 -0.62 -1.03 0.00 0.00 179.24 176.87 1a9x n GLU 1689N -2.66 0.26 -3.85 4.15 1.02 0.68 -4.71 120.64 115.52 1a9x n GLU 1689Ca -0.00 -0.07 -0.36 0.00 -0.02 0.00 0.00 57.16 56.70 1a9x n GLU 1689Cb 0.17 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.95 1a9x n GLU 1689CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1a9x s LEU 1690N -2.79 3.68 0.10 -4.62 1.43 -0.83 -4.99 118.68 110.64 1a9x s LEU 1690Ca 0.19 -0.88 -0.18 0.00 -1.03 0.00 0.00 54.13 52.23 1a9x s LEU 1690Cb 0.19 -1.78 -0.06 0.00 0.03 0.00 0.00 46.19 44.57 1a9x s LEU 1690CO 0.54 -0.19 1.56 1.55 0.23 0.00 0.00 176.35 180.04 1a9x h PRO 1691N 8.13 0.50 -6.46 1.29 0.13 -1.81 -3.45 132.00 130.31 1a9x h PRO 1691Ca -0.30 -0.14 -0.45 0.00 -0.87 0.00 0.00 66.00 64.24 1a9x h PRO 1691Cb 1.11 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 32.20 1a9x h PRO 1691CO 0.58 0.62 -0.25 -0.06 -0.23 0.00 0.00 178.00 178.67 1a9x s PHE 1692N -5.11 3.27 -0.24 1.56 0.08 -0.48 -5.01 117.98 112.04 1a9x s PHE 1692Ca -0.13 0.06 -0.04 0.00 0.12 0.00 0.00 56.93 56.93 1a9x s PHE 1692Cb 0.08 -2.02 0.08 0.00 -0.57 0.00 0.00 43.02 40.59 1a9x s PHE 1692CO 0.75 -0.04 0.10 -1.58 -0.10 0.00 0.00 175.22 174.36 1a9x s HIS 1693N -2.30 0.42 0.01 0.36 5.65 -1.26 -1.15 115.29 117.02 1a9x s HIS 1693Ca 0.44 -0.71 0.02 0.00 0.25 0.00 0.00 55.06 55.06 1a9x s HIS 1693Cb -0.10 -0.88 -0.04 0.00 -1.18 0.00 0.00 32.58 30.39 1a9x s HIS 1693CO 0.34 -0.69 0.01 0.08 -0.65 0.00 0.00 174.74 173.83 1a9x s VAL 1694N 2.06 4.17 -0.32 0.89 1.01 0.23 -1.32 120.40 127.12 1a9x s VAL 1694Ca 0.05 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1a9x s VAL 1694Cb -0.16 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 1a9x s VAL 1694CO -0.23 0.33 0.22 -0.69 0.00 0.00 0.00 175.10 174.73 1a9x s VAL 1695N -1.13 5.19 -0.20 2.92 1.01 -0.81 -1.68 120.40 125.69 1a9x s VAL 1695Ca 0.21 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1a9x s VAL 1695Cb -0.12 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1a9x s VAL 1695CO 0.12 0.06 0.03 0.00 0.00 0.00 0.00 175.10 175.31 1a9x s ALA 1696N 1.71 3.16 -0.28 5.51 0.00 0.13 -1.13 121.76 130.87 1a9x s ALA 1696Ca 0.06 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 50.78 1a9x s ALA 1696Cb -0.17 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.09 1a9x s ALA 1696CO 0.10 -0.12 1.09 0.71 0.00 0.00 0.00 175.76 177.53 1a9x s TYR 1697N 0.94 3.17 -0.80 0.00 1.51 -0.21 0.12 117.35 122.08 1a9x s TYR 1697Ca 0.02 1.26 -0.21 0.00 -1.01 0.00 0.00 57.07 57.14 1a9x s TYR 1697Cb -0.14 -3.55 0.09 0.00 -0.11 0.00 0.00 41.96 38.25 1a9x s TYR 1697CO 0.02 -0.77 1.08 0.34 -1.11 0.00 0.00 175.55 175.12 1a9x s ASP 1698N 1.58 6.38 -0.06 2.29 -1.08 -0.03 -2.22 116.67 123.52 1a9x s ASP 1698Ca 0.46 -1.43 0.14 0.00 -0.52 0.00 0.00 52.55 51.21 1a9x s ASP 1698Cb -0.14 -2.43 0.45 0.00 -1.46 0.00 0.00 42.92 39.34 1a9x s ASP 1698CO 0.12 -1.32 1.37 0.49 0.52 0.00 0.00 175.17 176.36 1a9x n PHE 1699N 7.42 0.77 0.00 -5.34 3.72 -1.26 -2.52 117.46 120.26 1a9x n PHE 1699Ca 0.11 -0.61 0.00 0.00 -0.05 0.00 0.00 57.45 56.90 1a9x n PHE 1699Cb 0.47 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 1a9x n PHE 1699CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a9x n GLY 1700N 0.44 0.88 3.74 1.37 0.00 -1.20 -3.84 105.19 106.58 1a9x n GLY 1700Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1a9x n GLY 1700CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x n ALA 1701N 0.00 2.57 -1.96 4.61 0.00 -1.22 -4.22 120.51 120.29 1a9x n ALA 1701Ca 0.00 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.48 1a9x n ALA 1701Cb 0.00 -2.47 -0.06 0.00 0.00 0.00 0.00 19.45 16.91 1a9x n ALA 1701CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1a9x s LYS 1702N -0.19 4.22 0.38 0.00 1.02 -1.26 -4.86 119.74 119.05 1a9x s LYS 1702Ca 0.66 0.97 0.05 0.00 0.02 0.00 0.00 55.97 57.68 1a9x s LYS 1702Cb -0.50 -2.47 0.75 0.00 -0.52 0.00 0.00 37.83 35.09 1a9x s LYS 1702CO 0.45 0.14 2.03 0.00 -0.92 0.00 0.00 175.35 177.05 1a9x h ARG 1703N 2.45 0.66 -0.23 1.68 3.08 -1.22 -2.40 114.38 118.41 1a9x h ARG 1703Ca -0.48 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 59.57 1a9x h ARG 1703Cb 1.18 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 1a9x h ARG 1703CO 0.64 0.45 0.16 -0.97 -1.07 0.00 0.00 179.97 179.18 1a9x h ASN 1704N 0.68 0.09 0.09 7.04 -1.24 -1.92 -1.22 115.58 119.10 1a9x h ASN 1704Ca 0.18 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.18 1a9x h ASN 1704Cb -0.05 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 38.98 1a9x h ASN 1704CO -0.04 0.06 -0.04 0.40 -1.29 0.00 0.00 177.43 176.52 1a9x h ILE 1705N 0.10 0.98 -0.32 2.57 2.04 -1.78 -1.78 117.51 119.33 1a9x h ILE 1705Ca 0.10 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.80 1a9x h ILE 1705Cb 0.28 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 1a9x h ILE 1705CO -0.01 0.06 -0.11 -0.07 0.00 0.00 0.00 178.15 178.02 1a9x h LEU 1706N -0.22 -0.38 -0.79 1.44 3.38 -1.52 -1.16 115.31 116.06 1a9x h LEU 1706Ca -0.01 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1a9x h LEU 1706Cb 0.18 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1a9x h LEU 1706CO 0.02 -0.14 0.42 0.03 0.09 0.00 0.00 178.44 178.86 1a9x h ARG 1707N -0.04 1.11 0.00 1.13 3.08 -1.09 -1.20 114.38 117.37 1a9x h ARG 1707Ca 0.16 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1a9x h ARG 1707Cb 0.28 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1a9x h ARG 1707CO -0.35 0.83 -0.41 0.52 -1.07 0.00 0.00 179.97 179.49 1a9x h MET 1708N 1.11 0.00 -0.11 0.04 2.86 -0.84 -0.30 114.93 117.68 1a9x h MET 1708Ca 0.28 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.84 1a9x h MET 1708Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1a9x h MET 1708CO -0.04 0.41 -0.24 -0.07 1.06 0.00 0.00 176.91 178.03 1a9x h LEU 1709N 0.00 0.40 -0.58 1.22 3.38 -0.89 -2.72 115.31 116.12 1a9x h LEU 1709Ca -0.00 -0.56 0.06 0.00 0.09 0.00 0.00 57.88 57.46 1a9x h LEU 1709Cb 0.75 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1a9x h LEU 1709CO 0.05 0.89 0.29 0.58 0.09 0.00 0.00 178.44 180.35 1a9x h VAL 1710N -0.07 0.93 -0.10 1.22 2.07 -0.93 0.28 116.25 119.65 1a9x h VAL 1710Ca 0.00 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1a9x h VAL 1710Cb 0.83 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1a9x h VAL 1710CO 0.05 0.10 0.11 0.44 0.02 0.00 0.00 177.57 178.30 1a9x h ASP 1711N 0.55 0.00 -0.51 0.57 3.32 -1.00 -0.56 116.42 118.79 1a9x h ASP 1711Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1a9x h ASP 1711Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1a9x h ASP 1711CO -0.19 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.87 1a9x n ARG 1712N -3.85 2.94 0.00 3.56 1.74 0.02 -4.90 116.66 116.17 1a9x n ARG 1712Ca -0.00 -2.16 0.00 0.00 -0.77 0.00 0.00 57.85 54.92 1a9x n ARG 1712Cb 0.22 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1a9x n ARG 1712CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a9x n GLY 1713N 1.04 0.85 3.91 -0.13 0.00 -0.22 -4.99 105.19 105.65 1a9x n GLY 1713Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1a9x n GLY 1713CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ARG 1715N -3.31 1.89 0.24 0.00 3.52 -0.30 -4.15 118.95 116.84 1a9x s ARG 1715Ca 0.43 -0.60 0.08 0.00 -0.13 0.00 0.00 55.73 55.51 1a9x s ARG 1715Cb -0.11 -1.60 -0.05 0.00 -1.56 0.00 0.00 34.95 31.63 1a9x s ARG 1715CO 0.28 0.19 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.33 1a9x s LEU 1716N 0.19 2.55 -0.27 -0.88 1.43 -0.74 -0.60 118.68 120.37 1a9x s LEU 1716Ca -0.07 -1.07 0.01 0.00 -1.03 0.00 0.00 54.13 51.96 1a9x s LEU 1716Cb -0.13 -0.74 0.07 0.00 0.03 0.00 0.00 46.19 45.42 1a9x s LEU 1716CO 0.03 -0.18 -0.01 -0.89 0.23 0.00 0.00 176.35 175.53 1a9x s THR 1717N -2.90 1.53 -0.02 5.49 2.01 -0.68 -1.60 115.64 119.47 1a9x s THR 1717Ca 0.26 -1.45 -0.25 0.00 0.31 0.00 0.00 61.69 60.56 1a9x s THR 1717Cb -0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1a9x s THR 1717CO 0.10 -0.30 0.78 -0.63 -0.69 0.00 0.00 174.62 173.88 1a9x s ILE 1718N 1.35 4.93 0.11 1.82 -1.09 0.42 0.19 121.20 128.93 1a9x s ILE 1718Ca 0.00 1.63 0.09 0.00 -2.23 0.00 0.00 60.65 60.14 1a9x s ILE 1718Cb -0.19 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 1a9x s ILE 1718CO -0.10 0.26 -0.21 0.68 -1.23 0.00 0.00 174.94 174.34 1a9x s VAL 1719N 0.63 1.80 0.62 2.92 -7.23 0.31 -1.09 120.40 118.36 1a9x s VAL 1719Ca 0.41 -1.62 -0.19 0.00 -1.81 0.00 0.00 61.98 58.77 1a9x s VAL 1719Cb -0.19 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 35.08 1a9x s VAL 1719CO 0.22 -0.07 1.30 -2.65 -0.31 0.00 0.00 175.10 173.58 1a9x n PRO 1720N 0.96 1.27 -0.33 4.82 -0.02 -1.26 -0.85 135.00 139.59 1a9x n PRO 1720Ca -0.19 0.49 0.08 0.00 -2.02 0.00 0.00 63.50 61.87 1a9x n PRO 1720Cb 0.54 -2.53 0.18 0.00 -0.02 0.00 0.00 33.50 31.67 1a9x n PRO 1720CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a9x n ALA 1721N -1.65 0.31 1.63 3.55 0.00 -1.05 -0.34 120.51 122.95 1a9x n ALA 1721Ca 0.14 1.01 0.06 0.00 0.00 0.00 0.00 53.44 54.65 1a9x n ALA 1721Cb 0.47 -0.65 0.34 0.00 0.00 0.00 0.00 19.45 19.61 1a9x n ALA 1721CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1a9x n GLN 1722N -5.46 0.81 -1.70 0.00 3.00 -1.26 -4.67 117.38 108.10 1a9x n GLN 1722Ca 0.17 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.77 1a9x n GLN 1722Cb 0.55 -1.22 0.03 0.00 0.00 0.00 0.00 30.24 29.60 1a9x n GLN 1722CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1a9x n THR 1723N -0.72 3.09 -2.67 5.09 -1.04 0.53 -4.96 114.28 113.60 1a9x n THR 1723Ca 0.09 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 61.28 1a9x n THR 1723Cb 0.04 -1.52 -0.04 0.00 -1.82 0.00 0.00 70.33 66.99 1a9x n THR 1723CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1a9x s SER 1724N -0.75 6.65 0.11 8.00 1.04 -1.26 -4.92 113.70 122.57 1a9x s SER 1724Ca 0.66 1.42 -0.21 0.00 0.48 0.00 0.00 55.95 58.30 1a9x s SER 1724Cb -0.47 -2.44 -0.09 0.00 0.10 0.00 0.00 66.02 63.13 1a9x s SER 1724CO 0.54 -0.46 1.74 0.00 0.98 0.00 0.00 173.24 176.03 1a9x h ALA 1725N 1.29 0.11 -0.58 5.32 0.00 -1.93 -0.62 119.26 122.85 1a9x h ALA 1725Ca -0.47 0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.57 1a9x h ALA 1725Cb 1.18 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1a9x h ALA 1725CO 0.63 -0.44 0.08 0.93 0.00 0.00 0.00 179.25 180.45 1a9x h GLU 1726N 0.07 0.20 -0.29 0.00 3.07 -1.95 0.89 114.58 116.56 1a9x h GLU 1726Ca 0.05 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.80 1a9x h GLU 1726Cb 0.05 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1a9x h GLU 1726CO -0.07 0.13 -0.24 -0.44 -1.40 0.00 0.00 179.01 176.99 1a9x h ASP 1727N 0.21 0.57 0.78 1.42 3.32 -1.89 -1.25 116.42 119.59 1a9x h ASP 1727Ca 0.31 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1a9x h ASP 1727Cb 0.46 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.87 1a9x h ASP 1727CO -0.43 0.81 -0.38 0.58 -1.72 0.00 0.00 179.24 178.10 1a9x h VAL 1728N 0.50 0.00 -0.59 -1.35 2.07 0.10 -2.98 116.25 114.00 1a9x h VAL 1728Ca 0.07 -0.05 0.17 0.00 0.82 0.00 0.00 66.70 67.71 1a9x h VAL 1728Cb 0.69 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1a9x h VAL 1728CO 0.05 0.00 0.47 -0.07 0.02 0.00 0.00 177.57 178.04 1a9x h LEU 1729N -1.10 0.00 -1.02 2.57 3.38 0.72 0.49 115.31 120.35 1a9x h LEU 1729Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1a9x h LEU 1729Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1a9x h LEU 1729CO 0.18 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.88 1a9x n LYS 1730N -4.16 0.15 0.05 1.13 4.81 -0.48 -1.89 118.16 117.77 1a9x n LYS 1730Ca 0.11 0.53 0.12 0.00 -0.87 0.00 0.00 58.31 58.20 1a9x n LYS 1730Cb 0.71 -1.89 0.12 0.00 0.02 0.00 0.00 35.03 33.99 1a9x n LYS 1730CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1a9x n MET 1731N -2.19 0.28 -3.27 1.64 2.81 0.17 -4.98 117.12 111.59 1a9x n MET 1731Ca 0.00 0.05 -0.15 0.00 -1.81 0.00 0.00 57.70 55.79 1a9x n MET 1731Cb 0.12 -1.65 0.08 0.00 -0.71 0.00 0.00 33.22 31.06 1a9x n MET 1731CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1a9x n ASN 1732N -2.04 -3.84 -4.80 7.83 5.03 -0.79 -4.99 115.26 111.66 1a9x n ASN 1732Ca 0.03 -0.62 -0.33 0.00 0.87 0.00 0.00 54.58 54.53 1a9x n ASN 1732Cb 0.44 -4.91 0.00 0.00 -1.02 0.00 0.00 39.78 34.29 1a9x n ASN 1732CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1a9x s PRO 1733N -4.88 3.39 0.45 3.52 0.04 -1.26 -4.93 135.00 131.33 1a9x s PRO 1733Ca 0.18 1.28 0.24 0.00 0.04 0.00 0.00 61.00 62.74 1a9x s PRO 1733Cb -0.02 -2.04 0.48 0.00 0.04 0.00 0.00 34.50 32.96 1a9x s PRO 1733CO 0.69 -0.76 1.66 -0.44 0.04 0.00 0.00 177.00 178.19 1a9x h ASP 1734N 0.70 0.00 -5.05 6.66 3.32 -1.58 -3.47 116.42 117.00 1a9x h ASP 1734Ca -0.48 0.00 0.15 0.00 0.02 0.00 0.00 57.03 56.73 1a9x h ASP 1734Cb 1.22 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.66 1a9x h ASP 1734CO 0.57 0.04 0.50 -0.83 -1.72 0.00 0.00 179.24 177.80 1a9x s GLY 1735N -4.22 -0.34 -0.04 2.75 0.00 -1.24 -4.32 107.32 99.90 1a9x s GLY 1735Ca 0.06 0.52 0.04 0.00 0.00 0.00 0.00 44.72 45.34 1a9x s GLY 1735CO 0.66 0.15 -0.16 -0.42 0.00 0.00 0.00 173.10 173.33 1a9x s ILE 1736N -3.19 1.32 -0.12 0.90 1.01 0.56 -1.92 121.20 119.76 1a9x s ILE 1736Ca 0.09 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 60.08 1a9x s ILE 1736Cb -0.01 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.30 1a9x s ILE 1736CO -0.03 0.39 -0.12 0.12 0.00 0.00 0.00 174.94 175.29 1a9x s PHE 1737N 0.06 2.82 -0.51 3.97 5.36 -0.28 -1.90 117.98 127.50 1a9x s PHE 1737Ca -0.04 -0.56 -0.09 0.00 -0.96 0.00 0.00 56.93 55.28 1a9x s PHE 1737Cb -0.11 -1.83 0.13 0.00 -0.34 0.00 0.00 43.02 40.87 1a9x s PHE 1737CO 0.02 -0.15 0.38 -0.51 -1.46 0.00 0.00 175.22 173.50 1a9x s LEU 1738N 0.24 5.74 1.34 6.12 1.43 0.08 -1.04 118.68 132.59 1a9x s LEU 1738Ca -0.08 -2.05 -0.19 0.00 -1.03 0.00 0.00 54.13 50.78 1a9x s LEU 1738Cb -0.15 -2.01 0.35 0.00 0.03 0.00 0.00 46.19 44.40 1a9x s LEU 1738CO 0.05 -0.66 0.95 -0.94 0.23 0.00 0.00 176.35 175.98 1a9x s SER 1739N 2.48 -0.48 0.77 2.29 1.04 -0.94 -1.71 113.70 117.16 1a9x s SER 1739Ca 0.07 1.14 -0.10 0.00 0.48 0.00 0.00 55.95 57.55 1a9x s SER 1739Cb -0.25 -1.70 0.08 0.00 0.10 0.00 0.00 66.02 64.25 1a9x s SER 1739CO -0.02 -5.04 1.12 0.54 0.98 0.00 0.00 173.24 170.82 1a9x s ASN 1740N -2.80 4.53 0.00 7.02 4.22 -1.19 -1.44 114.94 125.28 1a9x s ASN 1740Ca 0.69 0.58 0.00 0.00 -2.14 0.00 0.00 52.86 51.99 1a9x s ASN 1740Cb -0.19 -1.11 0.00 0.00 1.28 0.00 0.00 41.25 41.24 1a9x s ASN 1740CO 0.61 -1.83 0.00 0.61 -2.04 0.00 0.00 177.10 174.45 1a9x n GLY 1741N -3.17 1.16 3.69 0.45 0.00 -1.26 -3.25 105.19 102.81 1a9x n GLY 1741Ca 0.09 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 1a9x n GLY 1741CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a9x s PRO 1742N -2.00 1.01 1.65 1.61 0.04 -1.25 -4.63 135.00 131.43 1a9x s PRO 1742Ca 0.00 0.94 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1a9x s PRO 1742Cb 0.00 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1a9x s PRO 1742CO 0.00 -2.45 0.00 0.41 0.04 0.00 0.00 177.00 175.00 1a9x n GLY 1743N -0.72 -1.33 3.71 0.56 0.00 -1.26 -3.66 105.19 102.49 1a9x n GLY 1743Ca 0.07 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1a9x n GLY 1743CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a9x s ASP 1744N -4.00 7.09 0.19 1.61 -1.08 -0.56 -4.90 116.67 115.03 1a9x s ASP 1744Ca 0.00 1.95 0.10 0.00 -0.52 0.00 0.00 52.55 54.08 1a9x s ASP 1744Cb 0.00 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 1a9x s ASP 1744CO 0.00 -0.48 1.40 1.55 0.52 0.00 0.00 175.17 178.16 1a9x h PRO 1745N 6.94 0.00 -0.81 4.34 0.13 -1.88 -3.38 132.00 137.34 1a9x h PRO 1745Ca -0.40 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.93 1a9x h PRO 1745Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1a9x h PRO 1745CO 0.82 0.81 0.11 0.00 -0.23 0.00 0.00 178.00 179.51 1a9x h ALA 1746N 1.19 1.00 0.00 -0.56 0.00 -1.94 -2.49 119.26 116.46 1a9x h ALA 1746Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1a9x h ALA 1746Cb 1.52 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1a9x h ALA 1746CO 0.11 -0.43 0.00 -1.35 0.00 0.00 0.00 179.25 177.57 1a9x h PRO 1747N 0.16 0.00 -2.47 0.00 0.11 -1.89 -3.37 132.00 124.53 1a9x h PRO 1747Ca 0.47 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.46 1a9x h PRO 1747Cb 0.89 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.96 1a9x h PRO 1747CO -0.66 0.00 0.12 0.00 -0.21 0.00 0.00 178.00 177.25 1a9x n ASP 1749N 2.78 0.29 -0.14 0.00 5.68 -1.26 -0.80 116.55 123.09 1a9x n ASP 1749Ca 0.26 1.45 -0.06 0.00 -0.50 0.00 0.00 54.79 55.95 1a9x n ASP 1749Cb 0.51 -0.70 0.03 0.00 -1.14 0.00 0.00 41.12 39.82 1a9x n ASP 1749CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 1a9x h TYR 1750N 0.00 0.44 -0.31 2.11 -0.00 -1.97 -1.47 116.97 115.78 1a9x h TYR 1750Ca 0.73 0.02 -0.04 0.00 -0.00 0.00 0.00 58.73 59.44 1a9x h TYR 1750Cb 1.93 -0.13 -0.01 0.00 -0.00 0.00 0.00 36.73 38.52 1a9x h TYR 1750CO -0.03 0.23 0.04 0.00 -0.00 0.00 0.00 178.16 178.40 1a9x h ALA 1751N 1.23 0.41 -0.27 0.10 0.00 -1.24 -1.34 119.26 118.15 1a9x h ALA 1751Ca 0.19 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1a9x h ALA 1751Cb 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1a9x h ALA 1751CO -0.12 0.12 0.00 0.82 0.00 0.00 0.00 179.25 180.07 1a9x h ILE 1752N 0.34 0.81 -0.24 0.00 2.04 -1.28 0.37 117.51 119.55 1a9x h ILE 1752Ca 0.09 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1a9x h ILE 1752Cb 0.37 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1a9x h ILE 1752CO 0.01 0.02 0.13 0.74 0.00 0.00 0.00 178.15 179.04 1a9x h THR 1753N 0.09 1.12 -0.15 -0.27 2.02 -1.18 0.15 112.91 114.69 1a9x h THR 1753Ca 0.13 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 67.00 1a9x h THR 1753Cb 0.17 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1a9x h THR 1753CO -0.22 0.12 0.04 0.00 0.37 0.00 0.00 175.52 175.83 1a9x h ALA 1754N 1.00 0.16 -0.30 6.16 0.00 -0.95 -1.08 119.26 124.25 1a9x h ALA 1754Ca 0.08 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1a9x h ALA 1754Cb 0.08 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1a9x h ALA 1754CO -0.01 -0.40 -0.02 0.82 0.00 0.00 0.00 179.25 179.64 1a9x h ILE 1755N 0.11 0.76 -0.84 0.00 2.04 0.13 0.50 117.51 120.20 1a9x h ILE 1755Ca 0.07 -0.02 0.14 0.00 1.00 0.00 0.00 64.86 66.05 1a9x h ILE 1755Cb 0.05 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 1a9x h ILE 1755CO -0.08 0.01 0.55 1.56 0.00 0.00 0.00 178.15 180.19 1a9x h GLN 1756N 0.07 0.58 -0.47 2.37 4.20 -0.54 0.16 115.11 121.48 1a9x h GLN 1756Ca 0.15 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1a9x h GLN 1756Cb 0.20 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1a9x h GLN 1756CO -0.26 0.38 0.27 -0.22 -0.67 0.00 0.00 178.83 178.33 1a9x h LYS 1757N 0.59 0.64 -0.31 1.46 1.63 0.34 -2.84 116.57 118.09 1a9x h LYS 1757Ca 0.42 -0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 60.05 1a9x h LYS 1757Cb 0.75 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 1a9x h LYS 1757CO -0.17 0.49 -0.22 0.74 -3.45 0.00 0.00 179.45 176.84 1a9x h PHE 1758N 0.62 0.66 0.00 1.91 0.04 0.66 -3.00 116.94 117.83 1a9x h PHE 1758Ca 0.17 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1a9x h PHE 1758Cb 0.02 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.01 1a9x h PHE 1758CO -0.03 0.77 0.00 1.28 -0.60 0.00 0.00 178.31 179.73 1a9x n LEU 1759N -4.13 0.00 0.07 1.54 4.77 -0.56 -1.45 117.00 117.24 1a9x n LEU 1759Ca -0.00 0.36 0.12 0.00 -0.03 0.00 0.00 56.01 56.46 1a9x n LEU 1759Cb 0.41 -0.36 0.14 0.00 -2.33 0.00 0.00 43.42 41.28 1a9x n LEU 1759CO 0.43 -0.25 0.31 -0.33 -1.33 0.00 0.00 177.39 176.22 1a9x h GLU 1760N 0.00 0.00 0.00 3.23 5.08 -1.50 -3.47 114.58 117.93 1a9x h GLU 1760Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1a9x h GLU 1760Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1a9x h GLU 1760CO 0.00 0.00 -0.05 0.25 -1.00 0.00 0.00 179.01 178.21 1a9x n THR 1761N -2.24 0.00 -0.75 1.13 -2.24 -0.53 -5.05 114.28 104.60 1a9x n THR 1761Ca 0.03 -0.80 0.08 0.00 -2.27 0.00 0.00 64.05 61.09 1a9x n THR 1761Cb 0.46 -0.69 0.28 0.00 -2.10 0.00 0.00 70.33 68.28 1a9x n THR 1761CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1a9x n ASP 1762N -2.55 4.16 -4.72 3.42 8.00 -1.26 -4.90 116.55 118.69 1a9x n ASP 1762Ca 0.05 -2.70 -0.41 0.00 0.71 0.00 0.00 54.79 52.43 1a9x n ASP 1762Cb 0.24 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 40.79 1a9x n ASP 1762CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a9x s ILE 1763N -2.28 4.36 0.30 0.53 1.01 -1.26 -4.88 121.20 118.98 1a9x s ILE 1763Ca 0.42 1.86 -0.29 0.00 0.00 0.00 0.00 60.65 62.65 1a9x s ILE 1763Cb 0.31 -4.19 -0.10 0.00 0.01 0.00 0.00 42.46 38.49 1a9x s ILE 1763CO 0.14 0.24 1.35 -2.84 0.00 0.00 0.00 174.94 173.84 1a9x s PRO 1764N 0.29 4.32 -0.06 2.79 0.02 -1.26 -4.77 135.00 136.34 1a9x s PRO 1764Ca 0.50 2.24 0.03 0.00 0.02 0.00 0.00 61.00 63.80 1a9x s PRO 1764Cb -0.25 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.19 1a9x s PRO 1764CO 0.31 -0.27 -0.16 0.08 -0.33 0.00 0.00 177.00 176.62 1a9x s VAL 1765N -0.72 1.41 -0.08 3.83 1.01 -0.57 -0.32 120.40 124.96 1a9x s VAL 1765Ca 0.53 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1a9x s VAL 1765Cb -0.40 -1.25 0.03 0.00 0.00 0.00 0.00 36.38 34.76 1a9x s VAL 1765CO 0.50 0.41 -0.00 0.12 0.00 0.00 0.00 175.10 176.13 1a9x s PHE 1766N 0.38 0.73 0.08 5.22 5.36 -0.80 -1.64 117.98 127.31 1a9x s PHE 1766Ca -0.12 -0.22 0.08 0.00 -0.96 0.00 0.00 56.93 55.71 1a9x s PHE 1766Cb -0.15 -0.84 -0.04 0.00 -0.34 0.00 0.00 43.02 41.66 1a9x s PHE 1766CO 0.04 -0.35 -0.16 0.20 -1.46 0.00 0.00 175.22 173.50 1a9x s GLY 1767N 1.95 1.67 0.00 13.12 0.00 -0.80 -0.74 107.32 122.53 1a9x s GLY 1767Ca 0.05 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1a9x s GLY 1767CO -0.05 -1.19 0.59 1.39 0.00 0.00 0.00 173.10 173.84 1a9x n ILE 1768N 1.10 0.30 0.00 0.90 5.41 -0.70 -1.84 119.36 124.54 1a9x n ILE 1768Ca -0.15 -0.57 0.00 0.00 1.00 0.00 0.00 62.75 63.03 1a9x n ILE 1768Cb 0.52 0.96 0.00 0.00 -0.71 0.00 0.00 39.64 40.41 1a9x n ILE 1768CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1a9x n LEU 1770N -0.15 0.00 -0.17 1.39 7.94 -1.26 -3.19 117.00 121.56 1a9x n LEU 1770Ca 0.00 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.99 1a9x n LEU 1770Cb 0.13 0.00 0.40 0.00 0.53 0.00 0.00 43.42 44.48 1a9x n LEU 1770CO 0.00 0.00 1.21 1.23 -1.11 0.00 0.00 177.39 178.72 1a9x h GLY 1771N 0.00 0.88 0.97 -3.96 0.00 -1.34 -0.97 103.07 98.65 1a9x h GLY 1771Ca 0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 1a9x h GLY 1771CO 0.00 0.16 -0.03 0.84 0.00 0.00 0.00 176.54 177.51 1a9x h HIS 1772N 0.63 0.85 -0.52 5.60 -0.00 -1.70 -2.75 115.15 117.26 1a9x h HIS 1772Ca 0.33 -0.16 -0.12 0.00 -0.00 0.00 0.00 60.37 60.42 1a9x h HIS 1772Cb 0.43 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.61 1a9x h HIS 1772CO -0.00 0.85 -0.14 1.96 -0.00 0.00 0.00 177.93 180.60 1a9x h GLN 1773N 0.60 1.01 -0.10 5.26 4.20 -1.70 -2.16 115.11 122.22 1a9x h GLN 1773Ca 0.12 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 1a9x h GLN 1773Cb 0.53 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1a9x h GLN 1773CO 0.03 1.07 0.02 -0.07 -0.67 0.00 0.00 178.83 179.21 1a9x h LEU 1774N 0.89 0.15 -0.45 1.46 3.38 -1.24 0.20 115.31 119.71 1a9x h LEU 1774Ca 0.13 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.93 1a9x h LEU 1774Cb 0.71 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1a9x h LEU 1774CO 0.05 0.35 0.16 0.25 0.09 0.00 0.00 178.44 179.34 1a9x h LEU 1775N -0.05 0.17 -0.13 1.67 5.85 -1.47 0.44 115.31 121.78 1a9x h LEU 1775Ca 0.03 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1a9x h LEU 1775Cb 0.26 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1a9x h LEU 1775CO 0.00 0.13 0.00 0.00 -0.34 0.00 0.00 178.44 178.23 1a9x h ALA 1776N 1.30 0.12 -0.51 1.25 0.00 -1.24 -1.39 119.26 118.79 1a9x h ALA 1776Ca 0.21 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1a9x h ALA 1776Cb 0.21 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1a9x h ALA 1776CO -0.22 -0.45 0.31 -0.07 0.00 0.00 0.00 179.25 178.82 1a9x h LEU 1777N 0.05 0.50 -0.34 0.00 3.38 0.11 0.14 115.31 119.15 1a9x h LEU 1777Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1a9x h LEU 1777Cb 0.07 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1a9x h LEU 1777CO -0.10 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.78 1a9x n ALA 1778N -2.27 1.38 0.83 1.53 0.00 0.14 -1.21 120.51 120.91 1a9x n ALA 1778Ca 0.03 0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.60 1a9x n ALA 1778Cb 0.07 -1.21 0.07 0.00 0.00 0.00 0.00 19.45 18.38 1a9x n ALA 1778CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1a9x n SER 1779N -1.75 2.49 0.00 0.00 7.64 -0.49 -4.69 113.62 116.82 1a9x n SER 1779Ca 0.01 -1.74 0.00 0.00 1.01 0.00 0.00 58.87 58.15 1a9x n SER 1779Cb 0.11 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1a9x n SER 1779CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a9x n GLY 1780N 1.15 0.88 3.95 0.23 0.00 -0.35 -4.69 105.19 106.37 1a9x n GLY 1780Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1a9x n GLY 1780CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x n ALA 1781N -2.00 -0.84 -2.56 4.61 0.00 0.36 -4.57 120.51 115.51 1a9x n ALA 1781Ca 0.00 -1.86 -0.23 0.00 0.00 0.00 0.00 53.44 51.35 1a9x n ALA 1781Cb 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 19.45 19.39 1a9x n ALA 1781CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1a9x s LYS 1782N -5.64 1.19 0.12 0.00 1.02 -1.26 -4.40 119.74 110.77 1a9x s LYS 1782Ca 0.73 -0.67 0.05 0.00 0.02 0.00 0.00 55.97 56.10 1a9x s LYS 1782Cb -0.03 -1.19 -0.04 0.00 -0.52 0.00 0.00 37.83 36.06 1a9x s LYS 1782CO 0.50 0.31 0.08 0.95 -0.92 0.00 0.00 175.35 176.27 1a9x s THR 1783N -0.56 4.33 0.12 2.17 -4.23 -1.26 -1.26 115.64 114.95 1a9x s THR 1783Ca 0.05 -0.99 0.05 0.00 -1.18 0.00 0.00 61.69 59.62 1a9x s THR 1783Cb -0.07 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 1a9x s THR 1783CO 0.00 0.01 -0.13 0.68 -0.54 0.00 0.00 174.62 174.65 1a9x s VAL 1784N -1.54 1.21 -0.22 2.29 -7.23 0.21 -4.90 120.40 110.22 1a9x s VAL 1784Ca 0.29 -1.72 -0.17 0.00 -1.81 0.00 0.00 61.98 58.56 1a9x s VAL 1784Cb -0.11 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 1a9x s VAL 1784CO 0.21 -0.48 0.48 -0.75 -0.31 0.00 0.00 175.10 174.26 1a9x s LYS 1785N -2.78 4.15 0.85 4.82 2.20 -1.26 0.90 119.74 128.62 1a9x s LYS 1785Ca 0.09 0.32 -0.11 0.00 -0.36 0.00 0.00 55.97 55.90 1a9x s LYS 1785Cb -0.04 -3.58 0.10 0.00 -1.51 0.00 0.00 37.83 32.80 1a9x s LYS 1785CO 0.02 -0.18 1.09 -1.64 -0.36 0.00 0.00 175.35 174.28 1a9x s MET 1786N 1.74 1.62 0.16 4.03 -1.94 0.18 -4.92 119.30 120.17 1a9x s MET 1786Ca 0.22 0.88 -0.16 0.00 -1.71 0.00 0.00 55.69 54.92 1a9x s MET 1786Cb -0.15 -1.85 0.06 0.00 2.01 0.00 0.00 34.83 34.90 1a9x s MET 1786CO 0.09 -2.01 1.77 -0.22 -0.01 0.00 0.00 175.02 174.64 1a9x h LYS 1787N -1.38 0.35 0.00 2.03 3.64 -1.97 -3.39 116.57 115.85 1a9x h LYS 1787Ca -0.48 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1a9x h LYS 1787Cb 1.27 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1a9x h LYS 1787CO 0.54 0.23 0.00 1.97 -2.27 0.00 0.00 179.45 179.92 1a9x n PHE 1788N -4.96 0.00 -4.17 1.91 1.16 -1.26 -1.07 117.46 109.07 1a9x n PHE 1788Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.59 1a9x n PHE 1788Cb 0.11 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.98 1a9x n PHE 1788CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1a9x n GLY 1789N 0.00 -1.79 3.02 4.97 0.00 -1.26 -4.86 105.19 105.27 1a9x n GLY 1789Ca 0.00 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 1a9x n GLY 1789CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a9x s HIS 1790N 0.00 2.31 -0.20 1.61 0.09 0.70 -5.00 115.29 114.80 1a9x s HIS 1790Ca 0.00 -1.38 -0.05 0.00 -0.00 0.00 0.00 55.06 53.63 1a9x s HIS 1790Cb 0.00 -1.64 0.07 0.00 -0.00 0.00 0.00 32.58 31.01 1a9x s HIS 1790CO 0.00 -0.71 0.11 -1.01 -0.00 0.00 0.00 174.74 173.13 1a9x s HIS 1791N 1.44 0.18 -1.39 1.40 3.76 -1.25 -0.91 115.29 118.51 1a9x s HIS 1791Ca 0.03 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 1a9x s HIS 1791Cb -0.14 -0.71 0.00 0.00 1.11 0.00 0.00 32.58 32.84 1a9x s HIS 1791CO -0.10 -0.58 0.00 0.41 -0.85 0.00 0.00 174.74 173.61 1a9x n GLY 1792N 5.28 -1.60 0.48 -2.22 0.00 -0.79 -2.23 105.19 104.10 1a9x n GLY 1792Ca -0.07 -1.10 0.06 0.00 0.00 0.00 0.00 46.02 44.91 1a9x n GLY 1792CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 1793N -0.28 3.22 0.43 -0.02 0.00 -1.26 -1.18 105.19 106.11 1a9x n GLY 1793Ca 0.00 -0.82 0.06 0.00 0.00 0.00 0.00 46.02 45.26 1a9x n GLY 1793CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a9x n ASN 1794N -0.73 1.50 -4.63 1.61 6.94 -1.22 -4.44 115.26 114.29 1a9x n ASN 1794Ca 0.11 -2.87 -0.43 0.00 -0.02 0.00 0.00 54.58 51.37 1a9x n ASN 1794Cb 0.73 -0.38 -0.03 0.00 -2.36 0.00 0.00 39.78 37.75 1a9x n ASN 1794CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1a9x s HIS 1795N -1.94 3.14 0.05 -2.53 2.46 -1.03 -4.76 115.29 110.69 1a9x s HIS 1795Ca 0.26 1.09 -0.30 0.00 0.47 0.00 0.00 55.06 56.57 1a9x s HIS 1795Cb 0.24 -3.66 -0.05 0.00 -0.13 0.00 0.00 32.58 28.98 1a9x s HIS 1795CO -0.02 -0.77 1.03 -1.25 -2.47 0.00 0.00 174.74 171.26 1a9x s PRO 1796N 3.59 4.57 -0.05 2.88 0.04 -1.26 -0.47 135.00 144.30 1a9x s PRO 1796Ca 0.43 1.52 0.02 0.00 0.04 0.00 0.00 61.00 63.01 1a9x s PRO 1796Cb -0.12 -3.40 0.01 0.00 0.04 0.00 0.00 34.50 31.03 1a9x s PRO 1796CO 0.16 -0.02 -0.09 0.08 0.04 0.00 0.00 177.00 177.17 1a9x s VAL 1797N 0.69 0.87 -0.14 -0.36 1.01 -0.37 -0.56 120.40 121.54 1a9x s VAL 1797Ca 0.52 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 1a9x s VAL 1797Cb -0.24 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1a9x s VAL 1797CO 0.29 0.29 0.11 -0.75 0.00 0.00 0.00 175.10 175.04 1a9x s LYS 1798N 0.61 3.62 -0.60 2.72 2.20 0.85 -0.63 119.74 128.50 1a9x s LYS 1798Ca -0.11 -0.21 -0.28 0.00 -0.36 0.00 0.00 55.97 55.01 1a9x s LYS 1798Cb -0.14 -3.19 0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1a9x s LYS 1798CO 0.02 0.59 1.18 0.34 -0.36 0.00 0.00 175.35 177.13 1a9x s ASP 1799N -0.51 6.40 0.43 1.43 -1.08 0.29 -2.33 116.67 121.29 1a9x s ASP 1799Ca 0.12 -0.02 0.20 0.00 -0.52 0.00 0.00 52.55 52.33 1a9x s ASP 1799Cb -0.12 -2.54 0.99 0.00 -1.46 0.00 0.00 42.92 39.79 1a9x s ASP 1799CO 0.02 -1.51 1.90 -0.37 0.52 0.00 0.00 175.17 175.72 1a9x h VAL 1800N 6.13 0.88 0.00 1.11 -1.51 -1.71 0.27 116.25 121.42 1a9x h VAL 1800Ca -0.25 -1.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.18 1a9x h VAL 1800Cb 1.06 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 1a9x h VAL 1800CO 1.19 0.26 0.00 -0.62 -1.23 0.00 0.00 177.57 177.17 1a9x n GLU 1801N -3.76 0.17 0.00 5.19 1.02 -1.26 -3.22 120.64 118.77 1a9x n GLU 1801Ca -0.01 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1a9x n GLU 1801Cb 0.37 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1a9x n GLU 1801CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a9x n LYS 1802N -2.05 0.33 -3.92 3.49 5.02 -0.94 -5.02 118.16 115.08 1a9x n LYS 1802Ca 0.04 -0.32 -0.25 0.00 -2.02 0.00 0.00 58.31 55.76 1a9x n LYS 1802Cb 0.32 -0.80 -0.01 0.00 -0.02 0.00 0.00 35.03 34.52 1a9x n LYS 1802CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1a9x n ASN 1803N -0.14 -0.91 -4.10 4.39 5.15 0.90 -4.98 115.26 115.57 1a9x n ASN 1803Ca 0.00 -0.96 -0.16 0.00 -0.60 0.00 0.00 54.58 52.87 1a9x n ASN 1803Cb 0.04 -3.28 -0.12 0.00 -0.53 0.00 0.00 39.78 35.89 1a9x n ASN 1803CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1a9x s VAL 1804N -3.82 0.78 -0.11 3.44 -7.23 -0.86 -4.95 120.40 107.65 1a9x s VAL 1804Ca 0.09 -1.13 -0.05 0.00 -1.81 0.00 0.00 61.98 59.08 1a9x s VAL 1804Cb -0.05 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 36.06 1a9x s VAL 1804CO 0.87 -0.28 0.08 -0.69 -0.31 0.00 0.00 175.10 174.77 1a9x s VAL 1805N -1.26 5.01 0.00 1.32 1.01 -1.26 0.10 120.40 125.32 1a9x s VAL 1805Ca -0.06 0.02 0.05 0.00 0.00 0.00 0.00 61.98 61.99 1a9x s VAL 1805Cb -0.10 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 1a9x s VAL 1805CO 0.01 0.60 -0.15 -0.04 0.00 0.00 0.00 175.10 175.52 1a9x s MET 1806N -0.86 1.16 -0.11 2.72 -1.94 0.20 -4.97 119.30 115.50 1a9x s MET 1806Ca 0.13 -0.60 -0.19 0.00 -1.71 0.00 0.00 55.69 53.32 1a9x s MET 1806Cb -0.12 -1.14 -0.04 0.00 2.01 0.00 0.00 34.83 35.54 1a9x s MET 1806CO 0.03 0.31 0.52 0.42 -0.01 0.00 0.00 175.02 176.29 1a9x s ILE 1807N -0.47 5.16 0.26 2.53 -1.09 -1.26 -1.24 121.20 125.09 1a9x s ILE 1807Ca 0.05 1.05 0.01 0.00 -2.23 0.00 0.00 60.65 59.53 1a9x s ILE 1807Cb -0.06 -3.86 -0.05 0.00 -1.58 0.00 0.00 42.46 36.91 1a9x s ILE 1807CO -0.00 0.31 0.11 0.42 -1.23 0.00 0.00 174.94 174.55 1a9x s THR 1808N 0.67 0.48 -0.08 2.92 -4.23 0.38 -4.27 115.64 111.52 1a9x s THR 1808Ca 0.28 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.62 1a9x s THR 1808Cb -0.16 -2.61 -0.05 0.00 1.34 0.00 0.00 72.50 71.03 1a9x s THR 1808CO 0.12 0.00 0.45 0.00 -0.54 0.00 0.00 174.62 174.65 1a9x s ALA 1809N -3.77 3.55 0.03 3.99 0.00 -1.26 -2.45 121.76 121.85 1a9x s ALA 1809Ca 0.38 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.18 1a9x s ALA 1809Cb 0.07 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 1a9x s ALA 1809CO 0.14 0.16 -0.14 -0.65 0.00 0.00 0.00 175.76 175.27 1a9x s GLN 1810N 0.04 0.97 -0.46 0.00 -1.52 -0.32 -0.33 119.66 118.03 1a9x s GLN 1810Ca 0.25 -0.73 0.03 0.00 -1.95 0.00 0.00 55.36 52.96 1a9x s GLN 1810Cb -0.16 -0.98 0.19 0.00 -0.22 0.00 0.00 33.01 31.85 1a9x s GLN 1810CO 0.11 0.25 0.82 1.21 -0.25 0.00 0.00 175.29 177.43 1a9x s ASN 1811N -1.04 -1.13 -0.12 5.90 2.47 -0.53 -1.88 114.94 118.60 1a9x s ASN 1811Ca 0.02 -1.24 -0.23 0.00 0.42 0.00 0.00 52.86 51.83 1a9x s ASN 1811Cb -0.08 1.47 0.06 0.00 -1.45 0.00 0.00 41.25 41.25 1a9x s ASN 1811CO 0.01 -0.05 0.57 -1.38 -3.72 0.00 0.00 177.10 172.53 1a9x s HIS 1812N 1.03 -0.56 -0.59 0.43 -3.43 -0.09 -5.00 115.29 107.09 1a9x s HIS 1812Ca 0.26 1.17 0.06 0.00 -0.80 0.00 0.00 55.06 55.75 1a9x s HIS 1812Cb 0.03 0.27 0.01 0.00 -1.43 0.00 0.00 32.58 31.45 1a9x s HIS 1812CO -0.07 -0.43 0.52 0.41 -2.00 0.00 0.00 174.74 173.16 1a9x n GLY 1813N 1.81 -0.31 3.43 -1.38 0.00 -1.26 -0.22 105.19 107.26 1a9x n GLY 1813Ca -0.17 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 1a9x n GLY 1813CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a9x s PHE 1814N -0.94 2.05 0.19 1.61 0.08 -1.26 0.52 117.98 120.23 1a9x s PHE 1814Ca 0.05 -0.51 -0.09 0.00 0.12 0.00 0.00 56.93 56.50 1a9x s PHE 1814Cb 0.05 -1.01 -0.01 0.00 -0.57 0.00 0.00 43.02 41.48 1a9x s PHE 1814CO 0.14 0.49 0.33 0.00 -0.10 0.00 0.00 175.22 176.08 1a9x s ALA 1815N -2.78 0.02 -0.15 5.36 0.00 0.26 -4.80 121.76 119.66 1a9x s ALA 1815Ca 0.28 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 51.13 1a9x s ALA 1815Cb -0.01 0.97 -0.04 0.00 0.00 0.00 0.00 23.12 24.04 1a9x s ALA 1815CO 0.12 -0.70 0.43 0.08 0.00 0.00 0.00 175.76 175.69 1a9x s VAL 1816N -4.00 5.20 -0.12 0.00 1.01 -1.26 0.64 120.40 121.88 1a9x s VAL 1816Ca 0.20 0.83 -0.29 0.00 0.00 0.00 0.00 61.98 62.72 1a9x s VAL 1816Cb 0.02 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1a9x s VAL 1816CO 0.03 0.31 1.36 -0.62 0.00 0.00 0.00 175.10 176.18 1a9x s ASP 1817N 0.74 6.88 0.15 3.32 2.15 -0.39 -4.49 116.67 125.03 1a9x s ASP 1817Ca 0.23 1.86 -0.14 0.00 0.43 0.00 0.00 52.55 54.93 1a9x s ASP 1817Cb -0.15 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 39.96 1a9x s ASP 1817CO 0.08 -0.78 1.67 -0.08 -0.17 0.00 0.00 175.17 175.89 1a9x h GLU 1818N 8.43 0.77 -0.78 4.34 4.81 -1.96 -3.13 114.58 127.06 1a9x h GLU 1818Ca -0.31 -0.17 0.17 0.00 -0.13 0.00 0.00 59.36 58.92 1a9x h GLU 1818Cb 1.13 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.35 1a9x h GLU 1818CO 0.95 0.73 0.53 0.00 -0.73 0.00 0.00 179.01 180.49 1a9x h ALA 1819N 1.01 2.25 -0.51 2.92 0.00 -1.98 -2.09 119.26 120.85 1a9x h ALA 1819Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1a9x h ALA 1819Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1a9x h ALA 1819CO -0.00 -0.47 0.00 0.25 0.00 0.00 0.00 179.25 179.02 1a9x n THR 1820N -4.46 0.67 -1.68 0.00 -2.24 -1.18 -4.97 114.28 100.42 1a9x n THR 1820Ca 0.16 -0.76 -0.49 0.00 -2.27 0.00 0.00 64.05 60.69 1a9x n THR 1820Cb 0.62 0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 69.39 1a9x n THR 1820CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1a9x n LEU 1821N 1.28 3.25 -4.70 3.22 7.94 -0.79 -4.59 117.00 122.60 1a9x n LEU 1821Ca 0.20 1.00 -0.31 0.00 -1.11 0.00 0.00 56.01 55.79 1a9x n LEU 1821Cb 0.53 -1.35 0.14 0.00 0.53 0.00 0.00 43.42 43.27 1a9x n LEU 1821CO 0.15 -0.15 0.68 -2.16 -1.11 0.00 0.00 177.39 174.80 1a9x s PRO 1822N 3.49 1.42 0.56 1.96 0.04 -1.26 -4.89 135.00 136.32 1a9x s PRO 1822Ca 0.91 1.33 0.24 0.00 0.04 0.00 0.00 61.00 63.53 1a9x s PRO 1822Cb -0.74 -1.79 1.54 0.00 0.04 0.00 0.00 34.50 33.55 1a9x s PRO 1822CO 0.51 -2.28 2.15 0.00 0.04 0.00 0.00 177.00 177.42 1a9x h ALA 1823N -1.61 1.88 0.00 8.56 0.00 -1.93 -2.70 119.26 123.46 1a9x h ALA 1823Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1a9x h ALA 1823Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1a9x h ALA 1823CO 0.46 -0.15 0.00 0.27 0.00 0.00 0.00 179.25 179.84 1a9x n ASN 1824N -4.15 0.00 -4.33 0.00 2.04 -1.26 -4.69 115.26 102.87 1a9x n ASN 1824Ca -0.00 -0.84 -0.37 0.00 -0.44 0.00 0.00 54.58 52.92 1a9x n ASN 1824Cb 0.20 -0.04 -0.13 0.00 -2.53 0.00 0.00 39.78 37.28 1a9x n ASN 1824CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1a9x s LEU 1825N -2.09 3.76 -0.11 -4.53 1.43 -1.02 0.22 118.68 116.34 1a9x s LEU 1825Ca 0.44 -0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 1a9x s LEU 1825Cb 0.21 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 1a9x s LEU 1825CO 0.37 -0.18 0.06 0.00 0.23 0.00 0.00 176.35 176.84 1a9x s ARG 1826N 1.48 3.28 -0.05 1.70 1.70 0.15 -4.84 118.95 122.37 1a9x s ARG 1826Ca 0.02 -0.30 -0.30 0.00 -0.47 0.00 0.00 55.73 54.69 1a9x s ARG 1826Cb -0.17 -2.99 -0.05 0.00 -0.57 0.00 0.00 34.95 31.16 1a9x s ARG 1826CO 0.02 0.68 1.59 0.08 -1.08 0.00 0.00 175.30 176.59 1a9x s VAL 1827N -0.78 3.64 -0.03 4.99 1.01 -1.26 -1.23 120.40 126.73 1a9x s VAL 1827Ca 0.13 0.81 0.11 0.00 0.00 0.00 0.00 61.98 63.03 1a9x s VAL 1827Cb -0.12 -3.53 -0.17 0.00 0.00 0.00 0.00 36.38 32.57 1a9x s VAL 1827CO 0.03 -0.06 0.21 0.35 0.00 0.00 0.00 175.10 175.62 1a9x n THR 1828N 5.36 0.16 -3.68 3.92 -2.24 -0.00 -4.87 114.28 112.93 1a9x n THR 1828Ca 0.16 -0.31 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 1a9x n THR 1828Cb 0.43 0.04 -0.07 0.00 -2.10 0.00 0.00 70.33 68.62 1a9x n THR 1828CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1a9x s HIS 1829N -2.69 -0.31 0.04 4.78 3.76 -1.19 -2.11 115.29 117.57 1a9x s HIS 1829Ca -0.04 0.45 -0.01 0.00 -0.15 0.00 0.00 55.06 55.30 1a9x s HIS 1829Cb 0.07 0.20 -0.03 0.00 1.11 0.00 0.00 32.58 33.92 1a9x s HIS 1829CO 0.47 -0.49 -0.02 0.15 -0.85 0.00 0.00 174.74 174.00 1a9x s LYS 1830N -1.62 0.53 0.09 1.40 1.02 -0.98 -0.01 119.74 120.16 1a9x s LYS 1830Ca -0.11 -1.03 -0.27 0.00 0.02 0.00 0.00 55.97 54.58 1a9x s LYS 1830Cb -0.03 0.19 -0.06 0.00 -0.52 0.00 0.00 37.83 37.41 1a9x s LYS 1830CO 0.04 -0.10 0.86 0.45 -0.92 0.00 0.00 175.35 175.68 1a9x s SER 1831N -2.48 7.37 0.07 2.83 0.15 -0.07 -0.11 113.70 121.46 1a9x s SER 1831Ca 0.00 1.63 0.26 0.00 0.70 0.00 0.00 55.95 58.54 1a9x s SER 1831Cb 0.03 -2.53 0.67 0.00 -1.71 0.00 0.00 66.02 62.47 1a9x s SER 1831CO -0.07 0.01 1.56 0.18 1.20 0.00 0.00 173.24 176.11 1a9x n LEU 1832N 2.62 0.50 0.03 3.45 4.32 0.27 0.85 117.00 129.04 1a9x n LEU 1832Ca -0.01 0.28 -0.10 0.00 -0.02 0.00 0.00 56.01 56.16 1a9x n LEU 1832Cb 0.49 -0.29 -0.13 0.00 -1.62 0.00 0.00 43.42 41.87 1a9x n LEU 1832CO 0.49 -0.01 -0.24 -0.26 -1.22 0.00 0.00 177.39 176.15 1a9x h PHE 1833N 0.00 0.10 0.00 -1.77 0.04 -1.92 -3.42 116.94 109.98 1a9x h PHE 1833Ca 0.00 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1a9x h PHE 1833Cb 0.62 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 1a9x h PHE 1833CO 0.00 1.09 0.00 -0.40 -0.60 0.00 0.00 178.31 178.40 1a9x n ASP 1834N -3.25 0.00 0.00 2.17 5.68 -1.23 -5.01 116.55 114.91 1a9x n ASP 1834Ca -0.11 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.18 1a9x n ASP 1834Cb 1.01 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.99 1a9x n ASP 1834CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a9x n GLY 1835N 0.00 0.65 3.72 6.12 0.00 0.25 -4.97 105.19 110.96 1a9x n GLY 1835Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1a9x n GLY 1835CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a9x s THR 1836N -2.86 2.62 0.16 2.61 -4.23 -1.25 -4.43 115.64 108.25 1a9x s THR 1836Ca 0.00 0.22 -0.31 0.00 -1.18 0.00 0.00 61.69 60.42 1a9x s THR 1836Cb 0.00 -2.52 -0.09 0.00 1.34 0.00 0.00 72.50 71.23 1a9x s THR 1836CO 0.00 -0.24 1.46 -0.22 -0.54 0.00 0.00 174.62 175.08 1a9x s LEU 1837N -6.04 4.38 0.00 4.79 2.96 -1.26 -0.89 118.68 122.61 1a9x s LEU 1837Ca 0.66 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 57.06 1a9x s LEU 1837Cb -0.22 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.88 1a9x s LEU 1837CO 0.54 -0.72 0.00 0.00 -1.32 0.00 0.00 176.35 174.85 1a9x n GLN 1838N 3.66 1.86 -3.66 1.98 1.13 0.98 -4.74 117.38 118.59 1a9x n GLN 1838Ca 0.11 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 55.02 1a9x n GLN 1838Cb 0.41 -0.83 -0.08 0.00 0.11 0.00 0.00 30.24 29.85 1a9x n GLN 1838CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1a9x s GLY 1839N -1.53 -0.34 0.07 1.08 0.00 -0.62 0.97 107.32 106.96 1a9x s GLY 1839Ca 0.00 0.76 -0.10 0.00 0.00 0.00 0.00 44.72 45.39 1a9x s GLY 1839CO 0.00 0.49 0.21 -0.26 0.00 0.00 0.00 173.10 173.54 1a9x s ILE 1840N -1.24 0.13 -0.09 0.90 -4.36 -0.64 -0.82 121.20 115.08 1a9x s ILE 1840Ca -0.12 -1.03 -0.05 0.00 -0.26 0.00 0.00 60.65 59.19 1a9x s ILE 1840Cb -0.03 -1.17 0.04 0.00 1.25 0.00 0.00 42.46 42.55 1a9x s ILE 1840CO 0.07 -0.57 0.20 -2.28 0.24 0.00 0.00 174.94 172.60 1a9x s HIS 1841N -3.34 -0.25 0.00 1.37 2.46 -0.36 -1.09 115.29 114.07 1a9x s HIS 1841Ca 0.01 0.64 -0.30 0.00 0.47 0.00 0.00 55.06 55.88 1a9x s HIS 1841Cb 0.02 0.01 -0.06 0.00 -0.13 0.00 0.00 32.58 32.42 1a9x s HIS 1841CO -0.08 -0.19 1.52 1.03 -2.47 0.00 0.00 174.74 174.55 1a9x s ARG 1842N 1.04 4.23 0.37 2.88 1.81 0.11 0.34 118.95 129.73 1a9x s ARG 1842Ca -0.08 2.11 0.06 0.00 -1.72 0.00 0.00 55.73 56.10 1a9x s ARG 1842Cb -0.09 -3.68 0.70 0.00 -0.45 0.00 0.00 34.95 31.44 1a9x s ARG 1842CO -0.06 -0.68 1.93 1.79 -0.68 0.00 0.00 175.30 177.59 1a9x h THR 1843N 5.05 1.17 0.00 0.02 1.35 0.24 -3.21 112.91 117.54 1a9x h THR 1843Ca -0.39 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1a9x h THR 1843Cb 1.18 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1a9x h THR 1843CO 0.92 0.22 -1.58 -0.90 -0.25 0.00 0.00 175.52 173.94 1a9x n ASP 1844N -4.33 0.71 -4.34 5.36 5.75 -1.26 -5.01 116.55 113.44 1a9x n ASP 1844Ca 0.01 -0.27 -0.18 0.00 -0.01 0.00 0.00 54.79 54.34 1a9x n ASP 1844Cb 0.20 1.62 -0.10 0.00 -1.03 0.00 0.00 41.12 41.81 1a9x n ASP 1844CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1a9x s LYS 1845N -3.15 1.33 -1.42 0.11 -0.14 -1.21 -5.03 119.74 110.22 1a9x s LYS 1845Ca -0.03 -1.64 -0.07 0.00 -1.36 0.00 0.00 55.97 52.87 1a9x s LYS 1845Cb 0.13 -0.83 0.06 0.00 -1.68 0.00 0.00 37.83 35.50 1a9x s LYS 1845CO 0.78 0.02 2.52 -0.35 -0.76 0.00 0.00 175.35 177.56 1a9x n PRO 1846N -0.40 4.20 -4.24 -1.68 -0.04 -1.26 -4.15 135.00 127.43 1a9x n PRO 1846Ca -0.07 -3.06 -0.20 0.00 -0.04 0.00 0.00 63.50 60.12 1a9x n PRO 1846Cb 0.62 -2.73 -0.16 0.00 -0.04 0.00 0.00 33.50 31.19 1a9x n PRO 1846CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a9x s ALA 1847N 0.10 0.76 0.14 0.55 0.00 -1.26 -1.51 121.76 120.53 1a9x s ALA 1847Ca 0.57 -0.10 -0.14 0.00 0.00 0.00 0.00 51.96 52.30 1a9x s ALA 1847Cb 0.18 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1a9x s ALA 1847CO -0.08 0.02 0.37 -0.59 0.00 0.00 0.00 175.76 175.48 1a9x s PHE 1848N 0.84 0.01 0.15 0.00 -0.71 -0.65 0.05 117.98 117.67 1a9x s PHE 1848Ca -0.12 -0.36 -0.18 0.00 -1.04 0.00 0.00 56.93 55.22 1a9x s PHE 1848Cb -0.15 0.17 0.04 0.00 -1.21 0.00 0.00 43.02 41.87 1a9x s PHE 1848CO 0.01 -0.73 0.48 -1.54 -1.34 0.00 0.00 175.22 172.10 1a9x s SER 1849N -2.87 -0.33 -0.05 1.98 1.04 -0.25 -1.89 113.70 111.34 1a9x s SER 1849Ca 0.08 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.28 1a9x s SER 1849Cb 0.02 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1a9x s SER 1849CO -0.07 -0.92 -0.14 0.12 0.98 0.00 0.00 173.24 173.21 1a9x s PHE 1850N -3.80 1.51 0.23 5.02 5.36 -0.76 -1.63 117.98 123.91 1a9x s PHE 1850Ca 0.04 -0.47 0.02 0.00 -0.96 0.00 0.00 56.93 55.56 1a9x s PHE 1850Cb 0.01 -1.05 0.24 0.00 -0.34 0.00 0.00 43.02 41.87 1a9x s PHE 1850CO -0.11 -0.19 1.56 0.37 -1.46 0.00 0.00 175.22 175.39 1a9x h GLN 1851N 6.50 0.34 0.00 10.12 5.75 0.29 -3.39 115.11 134.72 1a9x h GLN 1851Ca -0.32 -0.21 -0.18 0.00 -0.15 0.00 0.00 58.65 57.79 1a9x h GLN 1851Cb 1.18 0.03 0.07 0.00 1.07 0.00 0.00 27.48 29.83 1a9x h GLN 1851CO 0.48 0.81 0.15 0.41 -2.65 0.00 0.00 178.83 178.03 1a9x n GLY 1852N 0.20 -1.50 3.03 2.39 0.00 -1.26 -4.81 105.19 103.24 1a9x n GLY 1852Ca -0.02 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 1a9x n GLY 1852CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a9x s ASN 1853N -2.98 4.82 0.50 1.61 -0.87 0.55 -4.94 114.94 113.62 1a9x s ASN 1853Ca 0.31 -2.47 0.21 0.00 -1.57 0.00 0.00 52.86 49.34 1a9x s ASN 1853Cb -0.01 -1.71 1.27 0.00 -0.02 0.00 0.00 41.25 40.78 1a9x s ASN 1853CO 0.22 -0.37 2.00 -0.65 -2.57 0.00 0.00 177.10 175.73 1a9x h PRO 1854N 7.31 0.12 0.00 -0.60 0.11 -1.85 0.19 132.00 137.29 1a9x h PRO 1854Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1a9x h PRO 1854Cb 0.98 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1a9x h PRO 1854CO 0.63 0.08 0.00 -0.85 -0.21 0.00 0.00 178.00 177.65 1a9x n GLU 1855N -4.42 0.22 0.00 1.05 0.00 -1.26 -3.58 120.64 112.64 1a9x n GLU 1855Ca 0.09 0.33 0.00 0.00 0.00 0.00 0.00 57.16 57.57 1a9x n GLU 1855Cb 0.50 -1.84 0.00 0.00 0.00 0.00 0.00 31.44 30.10 1a9x n GLU 1855CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a9x n ALA 1856N -1.77 0.00 -3.30 -1.84 0.00 0.67 -4.90 120.51 109.37 1a9x n ALA 1856Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.39 1a9x n ALA 1856Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1a9x n ALA 1856CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1a9x n SER 1857N 6.26 -6.81 -4.94 0.00 2.88 -1.26 -4.77 113.62 104.97 1a9x n SER 1857Ca 0.00 -0.33 -0.24 0.00 -1.33 0.00 0.00 58.87 56.97 1a9x n SER 1857Cb 0.00 -4.07 0.01 0.00 -0.75 0.00 0.00 64.21 59.41 1a9x n SER 1857CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1a9x s PRO 1858N -3.59 3.10 0.00 -1.46 0.04 -1.26 -4.75 135.00 127.08 1a9x s PRO 1858Ca 0.02 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 60.73 1a9x s PRO 1858Cb -0.00 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1a9x s PRO 1858CO 0.80 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.93 1a9x n GLY 1859N -2.17 2.37 3.66 0.56 0.00 -1.26 -4.78 105.19 103.57 1a9x n GLY 1859Ca 0.01 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 1a9x n GLY 1859CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a9x n PRO 1860N -1.45 1.42 -0.10 1.61 -0.05 -1.26 -4.86 135.00 130.30 1a9x n PRO 1860Ca 0.00 0.52 0.10 0.00 -0.05 0.00 0.00 63.50 64.07 1a9x n PRO 1860Cb 0.00 -2.28 0.34 0.00 -0.05 0.00 0.00 33.50 31.51 1a9x n PRO 1860CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 1a9x n HIS 1861N -0.95 0.25 -0.30 0.54 8.25 -1.26 -4.54 115.22 117.20 1a9x n HIS 1861Ca 0.10 -0.13 0.14 0.00 -0.26 0.00 0.00 57.72 57.58 1a9x n HIS 1861Cb 0.43 0.00 0.31 0.00 1.12 0.00 0.00 29.99 31.85 1a9x n HIS 1861CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1a9x h ASP 1862N 2.22 0.18 -0.23 0.41 5.19 -1.91 -2.54 116.42 119.73 1a9x h ASP 1862Ca 0.00 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1a9x h ASP 1862Cb 0.49 0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.20 1a9x h ASP 1862CO 0.00 -0.09 0.00 0.00 -3.12 0.00 0.00 179.24 176.03 1a9x n ALA 1863N -2.58 2.49 -0.34 3.45 0.00 -1.26 -4.45 120.51 117.83 1a9x n ALA 1863Ca 0.23 -0.58 0.22 0.00 0.00 0.00 0.00 53.44 53.30 1a9x n ALA 1863Cb 0.70 -1.04 0.46 0.00 0.00 0.00 0.00 19.45 19.57 1a9x n ALA 1863CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a9x h ALA 1864N 3.97 2.06 -0.09 0.00 0.00 -1.51 -2.23 119.26 121.47 1a9x h ALA 1864Ca 0.00 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1a9x h ALA 1864Cb 0.51 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1a9x h ALA 1864CO 0.00 -0.53 0.26 -1.35 0.00 0.00 0.00 179.25 177.64 1a9x h PRO 1865N 0.45 0.00 -0.53 0.00 0.11 -1.84 -0.96 132.00 129.24 1a9x h PRO 1865Ca 0.64 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.83 1a9x h PRO 1865Cb 1.47 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.55 1a9x h PRO 1865CO -0.40 0.00 0.35 -0.07 -0.21 0.00 0.00 178.00 177.67 1a9x h LEU 1866N 0.00 0.32 -0.92 2.35 4.07 -1.77 0.24 115.31 119.61 1a9x h LEU 1866Ca 0.04 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.97 1a9x h LEU 1866Cb 0.57 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.21 1a9x h LEU 1866CO -0.00 0.20 0.33 -0.26 -1.08 0.00 0.00 178.44 177.63 1a9x h PHE 1867N 0.37 1.12 -0.23 1.13 0.04 -1.39 -2.21 116.94 115.76 1a9x h PHE 1867Ca 0.24 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.90 1a9x h PHE 1867Cb 0.46 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1a9x h PHE 1867CO -0.00 0.83 -0.04 -0.44 -0.60 0.00 0.00 178.31 178.06 1a9x h ASP 1868N 1.09 0.32 -0.28 2.17 3.32 -0.62 -2.19 116.42 120.23 1a9x h ASP 1868Ca 0.26 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1a9x h ASP 1868Cb 0.16 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1a9x h ASP 1868CO -0.03 0.41 0.08 -0.74 -1.72 0.00 0.00 179.24 177.24 1a9x h HIS 1869N 0.34 0.54 0.01 4.55 2.76 -1.25 -1.36 115.15 120.73 1a9x h HIS 1869Ca 0.07 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1a9x h HIS 1869Cb 0.29 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.08 1a9x h HIS 1869CO 0.01 0.48 -0.00 0.35 -1.30 0.00 0.00 177.93 177.46 1a9x h PHE 1870N 0.53 -0.01 -0.69 5.26 3.57 -1.29 -0.59 116.94 123.73 1a9x h PHE 1870Ca 0.12 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.69 1a9x h PHE 1870Cb 0.22 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 1a9x h PHE 1870CO 0.01 0.16 0.37 0.82 -2.23 0.00 0.00 178.31 177.43 1a9x h ILE 1871N -0.17 0.92 -0.30 1.41 1.08 -1.08 0.11 117.51 119.48 1a9x h ILE 1871Ca -0.00 -0.22 0.07 0.00 -0.39 0.00 0.00 64.86 64.31 1a9x h ILE 1871Cb 0.17 0.21 -0.07 0.00 -3.07 0.00 0.00 36.82 34.06 1a9x h ILE 1871CO 0.00 0.12 -0.20 -0.33 -0.69 0.00 0.00 178.15 177.06 1a9x h GLU 1872N 0.66 -0.16 -0.52 2.37 5.08 -0.96 0.54 114.58 121.58 1a9x h GLU 1872Ca 0.32 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1a9x h GLU 1872Cb 0.25 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1a9x h GLU 1872CO -0.21 -0.11 0.34 -0.07 -1.00 0.00 0.00 179.01 177.96 1a9x h LEU 1873N -0.17 0.59 -0.08 1.33 3.38 -0.40 -1.09 115.31 118.88 1a9x h LEU 1873Ca 0.16 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1a9x h LEU 1873Cb 0.41 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1a9x h LEU 1873CO -0.40 0.42 -0.04 0.40 0.09 0.00 0.00 178.44 178.91 1a9x h ILE 1874N 0.69 0.86 -0.23 1.22 2.04 0.11 -0.46 117.51 121.74 1a9x h ILE 1874Ca 0.19 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.00 1a9x h ILE 1874Cb -0.07 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1a9x h ILE 1874CO -0.05 0.00 -0.09 -0.33 0.00 0.00 0.00 178.15 177.69 1a9x h GLU 1875N -0.04 0.37 -0.56 2.37 5.08 0.29 -2.24 114.58 119.84 1a9x h GLU 1875Ca 0.05 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1a9x h GLU 1875Cb 0.11 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1a9x h GLU 1875CO -0.11 0.47 -0.05 0.37 -1.00 0.00 0.00 179.01 178.68 1a9x h GLN 1876N 0.35 1.00 0.00 2.33 4.15 -0.50 -1.37 115.11 121.07 1a9x h GLN 1876Ca 0.07 -0.34 -0.04 0.00 0.77 0.00 0.00 58.65 59.12 1a9x h GLN 1876Cb 0.37 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1a9x h GLN 1876CO 0.02 1.02 -0.18 -0.92 -1.93 0.00 0.00 178.83 176.84 1a9x h TYR 1877N 0.91 0.00 0.00 3.99 3.20 -0.63 -2.39 116.97 122.05 1a9x h TYR 1877Ca 0.15 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.87 1a9x h TYR 1877Cb 0.60 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1a9x h TYR 1877CO 0.04 0.18 -0.74 0.00 -1.64 0.00 0.00 178.16 176.00 1a9x h ARG 1878N 0.00 0.00 -0.07 1.82 3.08 -0.78 -2.80 114.38 115.63 1a9x h ARG 1878Ca -0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1a9x h ARG 1878Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1a9x h ARG 1878CO 0.02 0.74 0.05 0.87 -1.07 0.00 0.00 179.97 180.59 1a9x h LYS 1879N 0.00 0.00 -0.01 0.04 1.57 -0.74 -3.51 116.57 113.92 1a9x h LYS 1879Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1a9x h LYS 1879Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.70 1a9x h LYS 1879CO 0.10 0.00 0.00 2.41 -0.57 0.00 0.00 179.45 181.39