#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug3 h LYS 1235N 0.00 0.07 -0.85 4.33 1.79 -2.05 -0.08 116.57 119.78 1ug3 h LYS 1235Ca 0.00 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1ug3 h LYS 1235Cb 0.00 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.59 1ug3 h LYS 1235CO 0.00 0.05 0.56 0.00 -1.08 0.00 0.00 179.45 178.98 1ug3 h ALA 1236N 1.16 1.08 -0.02 3.86 0.00 -2.06 -0.74 119.26 122.55 1ug3 h ALA 1236Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ug3 h ALA 1236Cb 0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1ug3 h ALA 1236CO -0.15 0.47 0.01 0.00 0.00 0.00 0.00 179.25 179.59 1ug3 h ALA 1237N 1.32 0.02 -0.52 0.00 0.00 -1.82 -1.62 119.26 116.64 1ug3 h ALA 1237Ca 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1ug3 h ALA 1237Cb -0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1ug3 h ALA 1237CO -0.07 -0.47 0.29 -0.07 0.00 0.00 0.00 179.25 178.93 1ug3 h LEU 1238N 0.00 0.63 -0.40 0.00 4.07 -0.72 -1.27 115.31 117.62 1ug3 h LEU 1238Ca 0.01 -0.04 0.02 0.00 0.08 0.00 0.00 57.88 57.95 1ug3 h LEU 1238Cb 0.02 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.57 1ug3 h LEU 1238CO -0.00 0.50 0.22 -1.28 -1.08 0.00 0.00 178.44 176.80 1ug3 h SER 1239N 0.72 0.34 -0.29 -0.43 0.87 -0.45 0.50 113.55 114.82 1ug3 h SER 1239Ca 0.19 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.66 1ug3 h SER 1239Cb 0.01 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1ug3 h SER 1239CO -0.03 0.24 -0.17 -0.33 -0.53 0.00 0.00 176.83 176.01 1ug3 h GLU 1240N 0.44 0.74 0.06 2.24 5.08 -0.70 -1.37 114.58 121.07 1ug3 h GLU 1240Ca 0.17 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1ug3 h GLU 1240Cb 0.05 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ug3 h GLU 1240CO -0.10 0.86 -0.03 0.93 -1.00 0.00 0.00 179.01 179.67 1ug3 h GLU 1241N 0.66 -0.08 -0.78 2.33 5.08 -0.42 -1.76 114.58 119.61 1ug3 h GLU 1241Ca 0.10 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1ug3 h GLU 1241Cb 0.65 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1ug3 h GLU 1241CO 0.05 0.11 0.50 1.49 -1.00 0.00 0.00 179.01 180.15 1ug3 h GLU 1242N -0.25 1.03 -0.56 2.33 4.57 0.06 -0.90 114.58 120.85 1ug3 h GLU 1242Ca -0.01 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 1ug3 h GLU 1242Cb 0.22 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1ug3 h GLU 1242CO 0.01 0.70 0.24 1.25 -1.18 0.00 0.00 179.01 180.03 1ug3 h LEU 1243N 1.06 0.77 -0.68 1.64 6.46 -1.16 -0.08 115.31 123.32 1ug3 h LEU 1243Ca 0.28 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.87 1ug3 h LEU 1243Cb -0.10 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.60 1ug3 h LEU 1243CO -0.06 0.72 0.35 -0.08 -0.62 0.00 0.00 178.44 178.75 1ug3 h GLU 1244N 0.77 0.96 -0.35 1.25 4.81 -0.92 0.15 114.58 121.25 1ug3 h GLU 1244Ca 0.19 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1ug3 h GLU 1244Cb 0.18 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1ug3 h GLU 1244CO -0.02 0.73 0.12 -0.22 -0.73 0.00 0.00 179.01 178.89 1ug3 h LYS 1245N 0.93 0.25 -0.11 1.92 3.64 -0.52 0.11 116.57 122.79 1ug3 h LYS 1245Ca 0.24 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1ug3 h LYS 1245Cb 0.07 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1ug3 h LYS 1245CO -0.03 0.17 -0.44 0.87 -2.27 0.00 0.00 179.45 177.74 1ug3 h LYS 1246N 0.26 0.26 -0.63 1.90 1.57 -0.62 -1.87 116.57 117.43 1ug3 h LYS 1246Ca 0.16 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1ug3 h LYS 1246Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1ug3 h LYS 1246CO -0.17 0.65 0.24 0.77 -0.57 0.00 0.00 179.45 180.37 1ug3 h SER 1247N 0.21 0.89 0.07 0.86 0.02 -0.04 -0.18 113.55 115.37 1ug3 h SER 1247Ca 0.02 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1ug3 h SER 1247Cb 0.87 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1ug3 h SER 1247CO 0.07 0.83 -0.03 0.50 -1.14 0.00 0.00 176.83 177.05 1ug3 h LYS 1248N 0.89 -0.09 0.16 3.45 3.64 -0.63 0.32 116.57 124.31 1ug3 h LYS 1248Ca 0.21 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1ug3 h LYS 1248Cb 0.23 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1ug3 h LYS 1248CO -0.01 -0.01 -0.24 0.00 -2.27 0.00 0.00 179.45 176.92 1ug3 h ALA 1249N 0.79 -0.43 -0.17 5.00 0.00 -1.11 0.14 119.26 123.48 1ug3 h ALA 1249Ca -0.01 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1ug3 h ALA 1249Cb 0.11 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1ug3 h ALA 1249CO 0.01 -0.78 -0.06 0.82 0.00 0.00 0.00 179.25 179.25 1ug3 h ILE 1250N -0.46 0.79 -0.67 0.00 2.04 -0.87 -1.73 117.51 116.61 1ug3 h ILE 1250Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1ug3 h ILE 1250Cb 0.46 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1ug3 h ILE 1250CO -0.11 0.00 0.38 0.40 0.00 0.00 0.00 178.15 178.82 1ug3 h ILE 1251N -0.02 1.20 -0.26 -0.67 2.04 -0.12 -1.42 117.51 118.26 1ug3 h ILE 1251Ca 0.09 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1ug3 h ILE 1251Cb 0.16 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1ug3 h ILE 1251CO -0.19 0.22 0.16 -0.33 0.00 0.00 0.00 178.15 178.00 1ug3 h GLU 1252N 0.91 0.36 -0.83 2.37 4.39 -0.42 -1.30 114.58 120.06 1ug3 h GLU 1252Ca 0.24 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.87 1ug3 h GLU 1252Cb 0.02 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1ug3 h GLU 1252CO -0.04 0.29 0.38 0.93 -1.16 0.00 0.00 179.01 179.41 1ug3 h GLU 1253N 0.33 1.20 -0.14 2.33 5.08 -1.14 -2.06 114.58 120.18 1ug3 h GLU 1253Ca 0.09 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1ug3 h GLU 1253Cb 0.03 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1ug3 h GLU 1253CO -0.02 0.93 0.07 -0.92 -1.00 0.00 0.00 179.01 178.07 1ug3 h TYR 1254N 1.18 0.20 0.00 4.33 3.20 -0.93 0.30 116.97 125.26 1ug3 h TYR 1254Ca 0.28 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 1ug3 h TYR 1254Cb 0.14 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 1ug3 h TYR 1254CO 0.02 0.24 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.58 1ug3 h LEU 1255N 0.09 0.00 0.00 2.82 3.38 -1.08 0.76 115.31 121.28 1ug3 h LEU 1255Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1ug3 h LEU 1255Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1ug3 h LEU 1255CO -0.01 0.13 -0.24 -0.74 0.09 0.00 0.00 178.44 177.68 1ug3 h HIS 1256N 0.00 0.00 0.00 1.13 2.76 -0.87 -3.40 115.15 114.77 1ug3 h HIS 1256Ca -0.00 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.04 1ug3 h HIS 1256Cb 0.36 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.29 1ug3 h HIS 1256CO 0.00 0.82 -1.45 1.28 -1.30 0.00 0.00 177.93 177.29 1ug3 n LEU 1257N -4.62 0.72 -1.30 0.26 4.77 0.10 -4.99 117.00 111.95 1ug3 n LEU 1257Ca -0.11 0.31 -0.14 0.00 -0.03 0.00 0.00 56.01 56.03 1ug3 n LEU 1257Cb 0.40 0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1ug3 n LEU 1257CO 0.23 0.08 -0.15 0.59 -1.33 0.00 0.00 177.39 176.81 1ug3 n ASN 1258N -2.78 -4.54 -4.47 -1.43 3.02 0.26 -4.94 115.26 100.38 1ug3 n ASN 1258Ca -0.09 0.20 -0.43 0.00 -0.03 0.00 0.00 54.58 54.23 1ug3 n ASN 1258Cb 0.77 -3.46 -0.03 0.00 -0.61 0.00 0.00 39.78 36.46 1ug3 n ASN 1258CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ug3 s ASP 1259N -2.65 6.47 0.12 6.41 -1.08 -1.26 -4.88 116.67 119.80 1ug3 s ASP 1259Ca 0.00 -1.61 -0.21 0.00 -0.52 0.00 0.00 52.55 50.22 1ug3 s ASP 1259Cb 0.00 -2.44 -0.05 0.00 -1.46 0.00 0.00 42.92 38.98 1ug3 s ASP 1259CO 0.00 -1.27 1.71 -0.03 0.52 0.00 0.00 175.17 176.10 1ug3 h MET 1260N 9.23 -0.02 -0.82 4.34 1.85 -1.92 -2.17 114.93 125.42 1ug3 h MET 1260Ca 0.03 0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.14 1ug3 h MET 1260Cb 1.04 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 33.03 1ug3 h MET 1260CO 1.19 -0.02 0.54 0.87 -0.40 0.00 0.00 176.91 179.09 1ug3 h LYS 1261N -0.02 1.04 -0.42 0.39 1.57 -1.99 -0.28 116.57 116.85 1ug3 h LYS 1261Ca 0.08 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1ug3 h LYS 1261Cb 0.14 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1ug3 h LYS 1261CO -0.17 0.69 -0.16 1.49 -0.57 0.00 0.00 179.45 180.72 1ug3 h GLU 1262N 1.07 0.86 -0.12 3.15 4.57 -1.90 -2.10 114.58 120.11 1ug3 h GLU 1262Ca 0.31 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1ug3 h GLU 1262Cb -0.06 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 1ug3 h GLU 1262CO -0.08 1.00 0.05 0.00 -1.18 0.00 0.00 179.01 178.80 1ug3 h ALA 1263N 0.84 0.16 -0.28 2.92 0.00 -0.82 -0.66 119.26 121.41 1ug3 h ALA 1263Ca 0.10 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1ug3 h ALA 1263Cb 0.72 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1ug3 h ALA 1263CO 0.05 -0.27 -0.05 0.28 0.00 0.00 0.00 179.25 179.26 1ug3 h VAL 1264N 0.06 0.74 -0.41 0.00 2.07 -1.02 -0.85 116.25 116.84 1ug3 h VAL 1264Ca 0.04 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1ug3 h VAL 1264Cb 0.14 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1ug3 h VAL 1264CO -0.00 0.00 0.23 -0.61 0.02 0.00 0.00 177.57 177.21 1ug3 h GLN 1265N 0.02 0.56 -0.98 1.57 4.15 -1.24 -0.88 115.11 118.32 1ug3 h GLN 1265Ca 0.13 -0.06 0.09 0.00 0.77 0.00 0.00 58.65 59.58 1ug3 h GLN 1265Cb 0.20 -0.11 -0.07 0.00 0.21 0.00 0.00 27.48 27.70 1ug3 h GLN 1265CO -0.27 0.44 0.62 0.00 -1.93 0.00 0.00 178.83 177.70 1ug3 h VAL 1267N 1.07 1.25 -0.75 0.00 2.07 -0.56 -2.48 116.25 116.85 1ug3 h VAL 1267Ca 0.45 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1ug3 h VAL 1267Cb 0.30 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1ug3 h VAL 1267CO -0.21 0.34 0.42 -0.61 0.02 0.00 0.00 177.57 177.52 1ug3 h GLN 1268N 0.73 1.03 0.00 1.57 4.15 0.28 -1.33 115.11 121.55 1ug3 h GLN 1268Ca 0.16 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1ug3 h GLN 1268Cb 0.40 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1ug3 h GLN 1268CO 0.01 0.75 0.00 0.39 -1.93 0.00 0.00 178.83 178.05 1ug3 n GLU 1269N -4.36 0.03 0.10 1.69 1.02 0.89 -1.40 120.64 118.60 1ug3 n GLU 1269Ca 0.08 0.31 -0.05 0.00 -0.02 0.00 0.00 57.16 57.47 1ug3 n GLU 1269Cb 0.09 -1.55 0.07 0.00 -0.02 0.00 0.00 31.44 30.03 1ug3 n GLU 1269CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ug3 h LEU 1270N 0.00 0.15 -2.49 -4.62 3.38 -1.01 -3.47 115.31 107.25 1ug3 h LEU 1270Ca 0.00 -0.11 -0.51 0.00 0.09 0.00 0.00 57.88 57.36 1ug3 h LEU 1270Cb 0.23 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1ug3 h LEU 1270CO 0.00 0.83 -0.92 0.00 0.09 0.00 0.00 178.44 178.44 1ug3 n ALA 1271N -2.44 -2.22 -3.14 1.53 0.00 -0.49 -4.91 120.51 108.84 1ug3 n ALA 1271Ca -0.02 -0.32 -0.17 0.00 0.00 0.00 0.00 53.44 52.93 1ug3 n ALA 1271Cb 0.71 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.93 1ug3 n ALA 1271CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ug3 n SER 1272N -2.80 0.48 -0.27 0.00 7.64 -1.26 -4.98 113.62 112.43 1ug3 n SER 1272Ca -0.24 -3.07 0.19 0.00 1.01 0.00 0.00 58.87 56.76 1ug3 n SER 1272Cb 0.65 -0.36 0.48 0.00 -1.01 0.00 0.00 64.21 63.97 1ug3 n SER 1272CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1ug3 h PRO 1273N 3.04 0.45 -0.00 1.43 0.11 -1.91 -1.13 132.00 133.99 1ug3 h PRO 1273Ca 0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1ug3 h PRO 1273Cb 0.98 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1ug3 h PRO 1273CO 0.46 0.30 -0.01 0.43 -0.21 0.00 0.00 178.00 178.97 1ug3 n SER 1274N -4.56 0.39 0.00 -2.05 7.64 -1.26 -3.39 113.62 110.39 1ug3 n SER 1274Ca 0.21 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 59.09 1ug3 n SER 1274Cb 0.70 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1ug3 n SER 1274CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ug3 n LEU 1275N -0.76 1.50 0.04 -3.43 4.77 -0.44 -4.69 117.00 114.00 1ug3 n LEU 1275Ca 0.21 -1.50 0.07 0.00 -0.03 0.00 0.00 56.01 54.76 1ug3 n LEU 1275Cb 0.19 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.61 1ug3 n LEU 1275CO 0.19 0.38 0.73 0.18 -1.33 0.00 0.00 177.39 177.54 1ug3 n LEU 1276N -0.31 0.21 0.11 2.23 4.77 -1.11 -1.75 117.00 121.15 1ug3 n LEU 1276Ca 0.00 0.56 0.06 0.00 -0.03 0.00 0.00 56.01 56.60 1ug3 n LEU 1276Cb 0.21 -0.54 0.51 0.00 -2.33 0.00 0.00 43.42 41.27 1ug3 n LEU 1276CO 0.00 -0.42 1.11 2.19 -1.33 0.00 0.00 177.39 178.95 1ug3 h PHE 1277N 0.00 0.29 -0.37 -1.77 -0.00 -1.84 -0.55 116.94 112.70 1ug3 h PHE 1277Ca 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 57.97 57.95 1ug3 h PHE 1277Cb 0.22 -0.10 -0.02 0.00 -0.00 0.00 0.00 35.95 36.06 1ug3 h PHE 1277CO 0.00 0.19 0.12 0.82 -0.00 0.00 0.00 178.31 179.44 1ug3 h ILE 1278N 0.32 1.21 -0.02 0.88 2.04 -1.69 0.16 117.51 120.41 1ug3 h ILE 1278Ca 0.08 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.27 1ug3 h ILE 1278Cb -0.02 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1ug3 h ILE 1278CO -0.02 0.24 -0.06 0.15 0.00 0.00 0.00 178.15 178.47 1ug3 h PHE 1279N 0.46 -0.14 0.08 1.37 3.57 -1.29 0.78 116.94 121.78 1ug3 h PHE 1279Ca 0.12 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.65 1ug3 h PHE 1279Cb 0.25 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1ug3 h PHE 1279CO 0.01 -0.09 -0.21 0.28 -2.23 0.00 0.00 178.31 176.07 1ug3 h VAL 1280N -0.09 0.51 -0.39 1.41 2.07 -0.92 0.34 116.25 119.19 1ug3 h VAL 1280Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1ug3 h VAL 1280Cb 0.13 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 1ug3 h VAL 1280CO -0.08 0.00 -0.04 -0.09 0.02 0.00 0.00 177.57 177.39 1ug3 h ARG 1281N -0.38 0.06 -0.36 1.57 2.43 -0.41 -0.84 114.38 116.44 1ug3 h ARG 1281Ca 0.04 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1ug3 h ARG 1281Cb 0.42 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1ug3 h ARG 1281CO -0.14 0.04 0.19 1.25 -1.51 0.00 0.00 179.97 179.80 1ug3 h HIS 1282N 0.06 0.50 -0.68 2.20 2.76 -0.49 -0.77 115.15 118.74 1ug3 h HIS 1282Ca 0.19 -0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.43 1ug3 h HIS 1282Cb 0.28 -0.16 -0.07 0.00 1.55 0.00 0.00 27.41 29.01 1ug3 h HIS 1282CO -0.30 0.41 0.33 0.78 -1.30 0.00 0.00 177.93 177.86 1ug3 h GLY 1283N 0.45 1.01 0.72 5.26 0.00 -0.26 0.71 103.07 110.96 1ug3 h GLY 1283Ca 0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1ug3 h GLY 1283CO -0.02 0.06 -0.02 -2.08 0.00 0.00 0.00 176.54 174.48 1ug3 h VAL 1284N 0.57 1.15 -0.05 4.60 2.07 -0.87 -2.79 116.25 120.93 1ug3 h VAL 1284Ca 0.33 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1ug3 h VAL 1284Cb 0.35 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1ug3 h VAL 1284CO -0.26 0.16 -0.11 -0.33 0.02 0.00 0.00 177.57 177.05 1ug3 h GLU 1285N -0.35 -0.16 0.00 1.57 5.08 -0.81 -0.27 114.58 119.65 1ug3 h GLU 1285Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ug3 h GLU 1285Cb 0.31 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1ug3 h GLU 1285CO 0.01 -0.11 0.00 0.66 -1.00 0.00 0.00 179.01 178.57 1ug3 h SER 1286N -0.16 0.00 0.00 1.42 4.64 -0.91 -3.21 113.55 115.32 1ug3 h SER 1286Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1ug3 h SER 1286Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1ug3 h SER 1286CO -0.15 0.00 -0.81 0.35 -0.87 0.00 0.00 176.83 175.35 1ug3 n THR 1287N -3.02 0.00 -0.31 2.95 -2.24 -1.05 -4.52 114.28 106.08 1ug3 n THR 1287Ca -0.00 -0.25 0.16 0.00 -2.27 0.00 0.00 64.05 61.69 1ug3 n THR 1287Cb 0.25 0.76 0.33 0.00 -2.10 0.00 0.00 70.33 69.57 1ug3 n THR 1287CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1ug3 h LEU 1288N 0.00 0.03 -3.09 3.22 5.85 -1.05 -1.04 115.31 119.22 1ug3 h LEU 1288Ca 0.00 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1ug3 h LEU 1288Cb 0.32 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1ug3 h LEU 1288CO 0.00 -0.20 -0.05 -0.62 -0.34 0.00 0.00 178.44 177.23 1ug3 n GLU 1289N -5.24 1.79 -0.00 1.25 1.02 -1.26 -4.79 120.64 113.41 1ug3 n GLU 1289Ca 0.24 -2.76 -0.00 0.00 -0.02 0.00 0.00 57.16 54.62 1ug3 n GLU 1289Cb 0.77 -1.63 -0.00 0.00 -0.02 0.00 0.00 31.44 30.56 1ug3 n GLU 1289CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1ug3 h ARG 1290N 0.65 0.00 -1.73 3.49 2.43 -1.41 -3.50 114.38 114.30 1ug3 h ARG 1290Ca 0.01 0.00 0.22 0.00 -0.81 0.00 0.00 59.98 59.41 1ug3 h ARG 1290Cb 1.16 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.55 1ug3 h ARG 1290CO 0.09 0.00 0.71 -1.54 -1.51 0.00 0.00 179.97 177.72 1ug3 s SER 1291N -3.26 -0.19 0.15 -3.80 1.04 -1.25 -4.99 113.70 101.40 1ug3 s SER 1291Ca -0.00 -0.04 -0.16 0.00 0.48 0.00 0.00 55.95 56.23 1ug3 s SER 1291Cb 0.00 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1ug3 s SER 1291CO 0.00 -0.38 1.76 0.00 0.98 0.00 0.00 173.24 175.60 1ug3 h ALA 1292N 2.00 0.52 -0.61 5.32 0.00 -1.96 -1.70 119.26 122.84 1ug3 h ALA 1292Ca -0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1ug3 h ALA 1292Cb 1.19 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1ug3 h ALA 1292CO 0.26 0.04 0.28 0.97 0.00 0.00 0.00 179.25 180.79 1ug3 h ILE 1293N 0.53 1.21 -0.44 0.00 6.09 -1.99 -0.46 117.51 122.45 1ug3 h ILE 1293Ca 0.15 -0.60 -0.08 0.00 -1.37 0.00 0.00 64.86 62.96 1ug3 h ILE 1293Cb 0.03 0.44 -0.02 0.00 0.47 0.00 0.00 36.82 37.75 1ug3 h ILE 1293CO -0.02 0.25 -0.02 0.00 -3.07 0.00 0.00 178.15 175.28 1ug3 h ALA 1294N 1.44 0.60 -0.81 0.18 0.00 -1.85 -0.47 119.26 118.34 1ug3 h ALA 1294Ca 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1ug3 h ALA 1294Cb 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1ug3 h ALA 1294CO -0.03 0.41 0.41 0.00 0.00 0.00 0.00 179.25 180.04 1ug3 h ARG 1295N 0.64 1.15 0.69 0.00 3.08 -0.83 0.38 114.38 119.49 1ug3 h ARG 1295Ca 0.12 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1ug3 h ARG 1295Cb 0.53 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 30.37 1ug3 h ARG 1295CO 0.03 0.88 -0.33 1.49 -1.07 0.00 0.00 179.97 180.97 1ug3 h GLU 1296N 1.14 -0.89 -0.85 0.04 4.57 -0.84 0.11 114.58 117.86 1ug3 h GLU 1296Ca 0.28 0.06 0.10 0.00 -1.18 0.00 0.00 59.36 58.62 1ug3 h GLU 1296Cb 0.09 0.20 -0.08 0.00 -0.16 0.00 0.00 28.75 28.81 1ug3 h GLU 1296CO -0.04 -0.59 0.49 0.45 -1.18 0.00 0.00 179.01 178.15 1ug3 h HIS 1297N -0.95 0.89 -0.57 0.92 3.86 -0.89 0.11 115.15 118.52 1ug3 h HIS 1297Ca -0.09 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 1ug3 h HIS 1297Cb 0.71 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1ug3 h HIS 1297CO -0.02 0.36 0.14 1.98 0.86 0.00 0.00 177.93 181.25 1ug3 h MET 1298N 0.81 0.92 -0.54 2.45 1.85 -0.74 -1.71 114.93 117.98 1ug3 h MET 1298Ca 0.41 -0.22 -0.02 0.00 -0.61 0.00 0.00 59.70 59.26 1ug3 h MET 1298Cb 0.39 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.27 1ug3 h MET 1298CO -0.25 0.85 0.24 0.78 -0.40 0.00 0.00 176.91 178.13 1ug3 h GLY 1299N 0.82 0.84 1.02 1.39 0.00 0.07 -2.18 103.07 105.03 1ug3 h GLY 1299Ca 0.18 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1ug3 h GLY 1299CO 0.00 0.41 0.55 1.46 0.00 0.00 0.00 176.54 178.97 1ug3 h GLN 1300N 0.73 1.25 -0.50 4.80 1.08 -0.79 -1.67 115.11 120.01 1ug3 h GLN 1300Ca 0.18 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 1ug3 h GLN 1300Cb 0.15 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 1ug3 h GLN 1300CO -0.02 0.88 0.22 1.25 -0.95 0.00 0.00 178.83 180.20 1ug3 h LEU 1301N 1.27 0.67 -0.77 1.46 5.85 -1.02 -0.67 115.31 122.10 1ug3 h LEU 1301Ca 0.33 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1ug3 h LEU 1301Cb -0.05 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1ug3 h LEU 1301CO -0.06 0.63 0.41 -0.07 -0.34 0.00 0.00 178.44 179.01 1ug3 h LEU 1302N 0.66 0.97 -0.57 2.25 3.38 -0.99 0.58 115.31 121.60 1ug3 h LEU 1302Ca 0.17 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1ug3 h LEU 1302Cb 0.16 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1ug3 h LEU 1302CO -0.02 0.80 0.37 -0.74 0.09 0.00 0.00 178.44 178.95 1ug3 h HIS 1303N 1.07 0.71 -0.10 1.13 2.76 -0.95 0.12 115.15 119.89 1ug3 h HIS 1303Ca 0.27 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1ug3 h HIS 1303Cb 0.06 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 1ug3 h HIS 1303CO 0.00 0.44 0.07 1.96 -1.30 0.00 0.00 177.93 179.10 1ug3 h GLN 1304N 0.76 0.13 -0.94 5.26 1.08 -0.39 0.21 115.11 121.23 1ug3 h GLN 1304Ca 0.21 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.44 1ug3 h GLN 1304Cb -0.08 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.26 1ug3 h GLN 1304CO -0.05 0.09 0.61 -0.07 -0.95 0.00 0.00 178.83 178.46 1ug3 h LEU 1305N 0.14 1.01 0.20 1.46 3.38 -0.50 0.18 115.31 121.17 1ug3 h LEU 1305Ca 0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1ug3 h LEU 1305Cb -0.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1ug3 h LEU 1305CO -0.01 0.68 -0.10 0.25 0.09 0.00 0.00 178.44 179.35 1ug3 h LEU 1306N 1.17 -0.23 -1.16 1.67 5.85 -0.36 -1.17 115.31 121.09 1ug3 h LEU 1306Ca 0.38 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 59.03 1ug3 h LEU 1306Cb 0.03 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1ug3 h LEU 1306CO -0.13 -0.01 0.58 0.00 -0.34 0.00 0.00 178.44 178.55 1ug3 n ALA 1308N -2.40 2.02 -0.88 0.00 0.00 0.57 -4.88 120.51 114.94 1ug3 n ALA 1308Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ug3 n ALA 1308Cb 0.18 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1ug3 n ALA 1308CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ug3 n GLY 1309N 0.65 0.56 0.09 0.00 0.00 -0.24 -4.92 105.19 101.31 1ug3 n GLY 1309Ca 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1ug3 n GLY 1309CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ug3 h HIS 1310N 0.00 0.16 -3.50 1.61 3.86 -1.45 -3.44 115.15 112.39 1ug3 h HIS 1310Ca 0.00 -0.11 -0.65 0.00 -1.16 0.00 0.00 60.37 58.44 1ug3 h HIS 1310Cb 0.00 -0.01 -0.25 0.00 1.06 0.00 0.00 27.41 28.21 1ug3 h HIS 1310CO 0.00 1.15 -0.68 -1.17 0.86 0.00 0.00 177.93 178.09 1ug3 s LEU 1311N -6.58 3.13 0.49 2.43 2.96 -0.69 -4.77 118.68 115.65 1ug3 s LEU 1311Ca -0.05 -0.31 -0.17 0.00 -0.22 0.00 0.00 54.13 53.38 1ug3 s LEU 1311Cb 0.08 -1.82 -0.08 0.00 0.50 0.00 0.00 46.19 44.87 1ug3 s LEU 1311CO 0.83 -0.02 0.96 -0.94 -1.32 0.00 0.00 176.35 175.86 1ug3 s SER 1312N 1.52 6.67 0.16 3.68 1.04 -1.26 -4.15 113.70 121.36 1ug3 s SER 1312Ca 0.06 1.56 -0.18 0.00 0.48 0.00 0.00 55.95 57.86 1ug3 s SER 1312Cb -0.15 -2.50 0.06 0.00 0.10 0.00 0.00 66.02 63.54 1ug3 s SER 1312CO -0.00 -0.53 1.67 0.74 0.98 0.00 0.00 173.24 176.09 1ug3 h THR 1313N 1.11 0.59 -0.46 2.02 2.02 -1.98 -0.32 112.91 115.88 1ug3 h THR 1313Ca -0.47 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.78 1ug3 h THR 1313Cb 1.18 0.59 -0.06 0.00 -1.74 0.00 0.00 68.15 68.12 1ug3 h THR 1313CO 0.62 0.00 0.11 0.00 0.37 0.00 0.00 175.52 176.62 1ug3 h ALA 1314N 1.25 0.52 -0.43 6.16 0.00 -1.99 -0.20 119.26 124.56 1ug3 h ALA 1314Ca 0.17 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1ug3 h ALA 1314Cb 0.31 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1ug3 h ALA 1314CO -0.38 -0.29 -0.02 1.96 0.00 0.00 0.00 179.25 180.52 1ug3 h GLN 1315N 0.25 0.72 0.27 0.00 1.08 -1.75 -0.20 115.11 115.49 1ug3 h GLN 1315Ca 0.23 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1ug3 h GLN 1315Cb 0.28 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1ug3 h GLN 1315CO -0.28 0.75 -0.17 -0.92 -0.95 0.00 0.00 178.83 177.26 1ug3 h TYR 1316N 0.67 -0.45 -0.67 2.96 3.20 0.01 -1.82 116.97 120.87 1ug3 h TYR 1316Ca 0.13 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1ug3 h TYR 1316Cb 0.45 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 1ug3 h TYR 1316CO 0.02 -0.27 0.43 1.88 -1.64 0.00 0.00 178.16 178.58 1ug3 h TYR 1317N -0.43 0.80 -0.51 -3.82 0.05 -0.76 -2.04 116.97 110.26 1ug3 h TYR 1317Ca -0.03 0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.84 1ug3 h TYR 1317Cb 0.36 -0.27 -0.06 0.00 1.01 0.00 0.00 36.73 37.78 1ug3 h TYR 1317CO -0.09 0.47 0.19 0.37 -1.05 0.00 0.00 178.16 178.05 1ug3 h GLN 1318N 0.85 0.37 -0.48 4.88 4.15 -0.76 0.15 115.11 124.26 1ug3 h GLN 1318Ca 0.26 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.64 1ug3 h GLN 1318Cb -0.02 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1ug3 h GLN 1318CO -0.09 0.24 0.20 0.78 -1.93 0.00 0.00 178.83 178.04 1ug3 h GLY 1319N 0.38 0.76 0.80 2.39 0.00 -0.98 -2.96 103.07 103.47 1ug3 h GLY 1319Ca 0.24 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1ug3 h GLY 1319CO -0.24 0.38 0.02 1.41 0.00 0.00 0.00 176.54 178.12 1ug3 h LEU 1320N 0.63 0.20 -0.98 3.11 3.38 -0.88 -3.03 115.31 117.74 1ug3 h LEU 1320Ca 0.16 -0.27 0.23 0.00 0.09 0.00 0.00 57.88 58.09 1ug3 h LEU 1320Cb 0.17 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 40.75 1ug3 h LEU 1320CO -0.02 0.41 0.56 1.88 0.09 0.00 0.00 178.44 181.37 1ug3 h TYR 1321N -0.02 0.96 -0.69 1.13 0.05 -0.69 0.31 116.97 118.01 1ug3 h TYR 1321Ca 0.04 0.04 0.13 0.00 0.05 0.00 0.00 58.73 58.99 1ug3 h TYR 1321Cb 0.30 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 37.73 1ug3 h TYR 1321CO 0.02 0.08 0.46 1.49 -1.05 0.00 0.00 178.16 179.16 1ug3 h GLU 1322N 0.59 0.36 0.02 4.88 4.81 -1.39 -0.49 114.58 123.36 1ug3 h GLU 1322Ca 0.61 -0.02 -0.37 0.00 -0.13 0.00 0.00 59.36 59.45 1ug3 h GLU 1322Cb 1.11 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.35 1ug3 h GLU 1322CO -0.46 0.24 -2.28 -0.89 -0.73 0.00 0.00 179.01 174.89 1ug3 n ILE 1323N -4.46 1.51 0.24 2.32 5.41 0.73 -4.18 119.36 120.94 1ug3 n ILE 1323Ca 0.12 -0.71 0.07 0.00 1.00 0.00 0.00 62.75 63.24 1ug3 n ILE 1323Cb 0.49 -1.08 0.60 0.00 -0.71 0.00 0.00 39.64 38.94 1ug3 n ILE 1323CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1ug3 h LEU 1324N 0.01 0.02 -1.45 1.39 3.38 -0.31 -0.44 115.31 117.90 1ug3 h LEU 1324Ca -0.51 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 1ug3 h LEU 1324Cb 2.06 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.78 1ug3 h LEU 1324CO -0.00 0.05 0.11 -0.08 0.09 0.00 0.00 178.44 178.61 1ug3 h GLU 1325N 0.02 0.48 -0.03 1.13 4.81 -1.26 -2.57 114.58 117.17 1ug3 h GLU 1325Ca 0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1ug3 h GLU 1325Cb 0.06 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1ug3 h GLU 1325CO 0.00 0.42 -0.13 1.28 -0.73 0.00 0.00 179.01 179.85 1ug3 n LEU 1326N -4.38 2.65 0.13 1.64 4.77 -0.26 -4.59 117.00 116.95 1ug3 n LEU 1326Ca 0.02 -0.90 -0.14 0.00 -0.03 0.00 0.00 56.01 54.95 1ug3 n LEU 1326Cb 0.15 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1ug3 n LEU 1326CO 0.37 0.45 0.60 0.00 -1.33 0.00 0.00 177.39 177.48 1ug3 h ALA 1327N 4.46 -0.73 -0.97 -1.18 0.00 -0.89 -2.21 119.26 117.75 1ug3 h ALA 1327Ca 0.00 -0.08 0.27 0.00 0.00 0.00 0.00 54.91 55.10 1ug3 h ALA 1327Cb 0.91 0.66 -0.14 0.00 0.00 0.00 0.00 17.79 19.22 1ug3 h ALA 1327CO 0.00 -0.97 0.52 1.49 0.00 0.00 0.00 179.25 180.29 1ug3 h GLU 1328N -0.65 0.40 -0.27 0.00 4.81 -1.81 0.91 114.58 117.97 1ug3 h GLU 1328Ca 0.02 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1ug3 h GLU 1328Cb 0.67 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1ug3 h GLU 1328CO -0.22 0.27 -0.43 -0.44 -0.73 0.00 0.00 179.01 177.46 1ug3 h ASP 1329N 0.42 0.72 0.57 1.04 3.32 -1.74 -3.08 116.42 117.66 1ug3 h ASP 1329Ca 0.66 -0.34 -0.08 0.00 0.02 0.00 0.00 57.03 57.29 1ug3 h ASP 1329Cb 1.37 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1ug3 h ASP 1329CO -0.55 1.05 -0.38 0.24 -1.72 0.00 0.00 179.24 177.88 1ug3 h MET 1330N 0.54 0.00 -1.23 3.56 2.86 -0.27 -3.16 114.93 117.23 1ug3 h MET 1330Ca 0.04 0.00 0.36 0.00 -2.06 0.00 0.00 59.70 58.04 1ug3 h MET 1330Cb 0.97 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.53 1ug3 h MET 1330CO 0.09 0.38 0.81 1.49 1.06 0.00 0.00 176.91 180.74 1ug3 h GLU 1331N 0.00 0.18 -0.33 1.72 4.81 -1.25 0.54 114.58 120.25 1ug3 h GLU 1331Ca -0.00 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1ug3 h GLU 1331Cb 0.76 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.06 1ug3 h GLU 1331CO 0.05 0.12 0.09 0.82 -0.73 0.00 0.00 179.01 179.36 1ug3 h ILE 1332N 0.19 0.88 0.00 2.32 2.04 -1.74 -2.93 117.51 118.26 1ug3 h ILE 1332Ca 0.70 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 66.49 1ug3 h ILE 1332Cb 2.18 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1ug3 h ILE 1332CO -0.29 0.04 -1.49 0.47 0.00 0.00 0.00 178.15 176.88 1ug3 n ASP 1333N -5.05 0.41 -3.73 1.72 8.00 0.30 -4.65 116.55 113.55 1ug3 n ASP 1333Ca 0.01 0.07 -0.28 0.00 0.71 0.00 0.00 54.79 55.29 1ug3 n ASP 1333Cb 0.13 1.25 -0.12 0.00 -0.02 0.00 0.00 41.12 42.36 1ug3 n ASP 1333CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ug3 s ILE 1334N -3.41 1.84 0.31 0.53 1.01 0.16 -5.00 121.20 116.64 1ug3 s ILE 1334Ca -0.03 -3.34 0.07 0.00 0.00 0.00 0.00 60.65 57.34 1ug3 s ILE 1334Cb 0.12 -2.24 0.32 0.00 0.01 0.00 0.00 42.46 40.67 1ug3 s ILE 1334CO 0.85 -1.02 1.66 -0.65 0.00 0.00 0.00 174.94 175.79 1ug3 h PRO 1335N 5.90 0.28 -0.61 2.79 0.11 -1.77 -1.06 132.00 137.65 1ug3 h PRO 1335Ca 0.12 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.16 1ug3 h PRO 1335Cb 0.85 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.87 1ug3 h PRO 1335CO 0.57 0.18 0.06 0.72 -0.21 0.00 0.00 178.00 179.32 1ug3 n HIS 1336N -5.13 2.16 -0.32 0.65 8.25 -1.26 -4.63 115.22 114.94 1ug3 n HIS 1336Ca 0.25 -0.83 0.16 0.00 -0.26 0.00 0.00 57.72 57.04 1ug3 n HIS 1336Cb 0.79 -0.55 0.35 0.00 1.12 0.00 0.00 29.99 31.69 1ug3 n HIS 1336CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1ug3 h VAL 1337N 3.69 0.46 -0.84 1.59 3.04 -1.54 0.31 116.25 122.96 1ug3 h VAL 1337Ca 0.06 -0.15 -0.01 0.00 -1.01 0.00 0.00 66.70 65.59 1ug3 h VAL 1337Cb 2.06 -0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 31.29 1ug3 h VAL 1337CO 0.54 0.08 0.49 -0.50 -1.01 0.00 0.00 177.57 177.17 1ug3 h TRP 1338N 0.42 1.13 -0.62 3.17 4.06 -1.84 -0.46 115.95 121.82 1ug3 h TRP 1338Ca 0.60 -0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.51 1ug3 h TRP 1338Cb 1.18 -0.37 -0.03 0.00 -1.00 0.00 0.00 29.16 28.94 1ug3 h TRP 1338CO -0.10 0.77 0.28 1.25 -3.56 0.00 0.00 178.44 177.08 1ug3 h LEU 1339N 1.17 0.83 -1.08 -4.49 5.85 -0.75 -0.09 115.31 116.74 1ug3 h LEU 1339Ca 0.30 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1ug3 h LEU 1339Cb -0.02 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1ug3 h LEU 1339CO -0.05 0.75 0.26 1.88 -0.34 0.00 0.00 178.44 180.94 1ug3 h TYR 1340N 0.86 0.91 -0.30 1.25 0.05 -0.59 -0.80 116.97 118.35 1ug3 h TYR 1340Ca 0.21 -0.05 -0.10 0.00 0.05 0.00 0.00 58.73 58.84 1ug3 h TYR 1340Cb 0.16 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 1ug3 h TYR 1340CO 0.01 0.70 -0.19 -0.07 -1.05 0.00 0.00 178.16 177.55 1ug3 h LEU 1341N 0.90 0.69 -0.85 3.88 3.38 -0.65 -2.47 115.31 120.20 1ug3 h LEU 1341Ca 0.21 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.79 1ug3 h LEU 1341Cb 0.16 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1ug3 h LEU 1341CO -0.02 0.98 0.55 0.00 0.09 0.00 0.00 178.44 180.03 1ug3 h ALA 1342N 0.74 1.12 0.00 1.53 0.00 -0.48 -0.76 119.26 121.41 1ug3 h ALA 1342Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ug3 h ALA 1342Cb 0.74 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ug3 h ALA 1342CO 0.05 0.38 -0.09 0.93 0.00 0.00 0.00 179.25 180.52 1ug3 h GLU 1343N 1.06 0.00 0.16 0.00 5.08 -0.92 -0.48 114.58 119.48 1ug3 h GLU 1343Ca 0.34 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.39 1ug3 h GLU 1343Cb 0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1ug3 h GLU 1343CO -0.12 0.09 -1.48 -0.07 -1.00 0.00 0.00 179.01 176.43 1ug3 h LEU 1344N 0.00 0.53 0.14 1.33 3.38 -0.73 -3.39 115.31 116.58 1ug3 h LEU 1344Ca -0.00 -0.66 -0.23 0.00 0.09 0.00 0.00 57.88 57.08 1ug3 h LEU 1344Cb 0.20 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1ug3 h LEU 1344CO 0.01 1.53 -1.08 0.58 0.09 0.00 0.00 178.44 179.57 1ug3 h VAL 1345N 0.09 1.32 -0.97 1.22 2.07 -0.76 -3.37 116.25 115.86 1ug3 h VAL 1345Ca -0.23 -2.50 0.31 0.00 0.82 0.00 0.00 66.70 65.09 1ug3 h VAL 1345Cb 2.05 3.02 -0.17 0.00 -1.52 0.00 0.00 31.29 34.67 1ug3 h VAL 1345CO 0.20 0.72 0.25 0.74 0.02 0.00 0.00 177.57 179.50 1ug3 h THR 1346N -0.31 0.10 -0.20 2.57 2.02 -1.31 0.28 112.91 116.06 1ug3 h THR 1346Ca -0.21 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 67.01 1ug3 h THR 1346Cb 1.73 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1ug3 h THR 1346CO 0.13 0.01 0.32 -0.65 0.37 0.00 0.00 175.52 175.70 1ug3 h PRO 1347N 0.07 0.00 0.00 6.66 0.11 -1.81 0.86 132.00 137.89 1ug3 h PRO 1347Ca 0.66 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.77 1ug3 h PRO 1347Cb 1.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.61 1ug3 h PRO 1347CO -0.80 0.00 0.00 0.82 -0.21 0.00 0.00 178.00 177.81 1ug3 h ILE 1348N 0.00 0.00 0.00 4.15 1.08 -0.69 -2.29 117.51 119.76 1ug3 h ILE 1348Ca 0.10 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1ug3 h ILE 1348Cb 0.73 1.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.54 1ug3 h ILE 1348CO -0.00 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.64 1ug3 n LEU 1349N -2.76 0.00 -4.74 1.44 4.77 0.30 -1.42 117.00 114.58 1ug3 n LEU 1349Ca -0.01 0.37 -0.31 0.00 -0.03 0.00 0.00 56.01 56.03 1ug3 n LEU 1349Cb 0.17 -0.37 0.10 0.00 -2.33 0.00 0.00 43.42 41.00 1ug3 n LEU 1349CO 0.20 -0.00 0.70 -1.10 -1.33 0.00 0.00 177.39 175.87 1ug3 s GLN 1350N -2.74 2.02 0.13 3.23 -0.21 -0.86 -4.74 119.66 116.49 1ug3 s GLN 1350Ca 0.23 1.31 -0.33 0.00 0.02 0.00 0.00 55.36 56.59 1ug3 s GLN 1350Cb 0.20 -1.86 -0.18 0.00 1.00 0.00 0.00 33.01 32.17 1ug3 s GLN 1350CO 0.48 -1.84 0.91 -1.91 -2.12 0.00 0.00 175.29 170.81 1ug3 n GLU 1351N -3.53 0.38 -0.10 2.91 4.07 -1.26 0.82 120.64 123.93 1ug3 n GLU 1351Ca 0.10 0.13 0.00 0.00 -0.06 0.00 0.00 57.16 57.34 1ug3 n GLU 1351Cb 0.53 -1.46 0.00 0.00 -0.06 0.00 0.00 31.44 30.45 1ug3 n GLU 1351CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ug3 n GLY 1352N 1.81 1.61 0.00 8.31 0.00 -1.26 -5.00 105.19 110.66 1ug3 n GLY 1352Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ug3 n GLY 1352CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ug3 n GLY 1353N -2.00 1.63 3.82 -0.02 0.00 0.24 -4.40 105.19 104.47 1ug3 n GLY 1353Ca 0.00 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.87 1ug3 n GLY 1353CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ug3 s VAL 1354N 2.25 5.22 0.39 1.61 1.01 -0.51 -4.98 120.40 125.39 1ug3 s VAL 1354Ca 0.00 0.61 -0.27 0.00 0.00 0.00 0.00 61.98 62.31 1ug3 s VAL 1354Cb 0.00 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 1ug3 s VAL 1354CO 0.00 0.55 1.45 -2.84 0.00 0.00 0.00 175.10 174.26 1ug3 s PRO 1355N -0.71 4.02 0.17 2.72 0.02 -1.26 -4.51 135.00 135.45 1ug3 s PRO 1355Ca 0.20 2.49 -0.19 0.00 0.02 0.00 0.00 61.00 63.52 1ug3 s PRO 1355Cb -0.15 -2.89 0.10 0.00 0.02 0.00 0.00 34.50 31.58 1ug3 s PRO 1355CO 0.09 -0.57 1.63 1.98 -0.33 0.00 0.00 177.00 179.79 1ug3 h MET 1356N 2.85 -0.13 -0.10 5.54 1.85 -1.94 0.14 114.93 123.14 1ug3 h MET 1356Ca -0.51 0.01 0.04 0.00 -0.61 0.00 0.00 59.70 58.64 1ug3 h MET 1356Cb 1.24 0.03 -0.05 0.00 0.43 0.00 0.00 31.60 33.25 1ug3 h MET 1356CO 0.63 -0.08 -0.23 0.78 -0.40 0.00 0.00 176.91 177.61 1ug3 h GLY 1357N -0.13 -0.26 0.97 1.39 0.00 -1.91 0.90 103.07 104.03 1ug3 h GLY 1357Ca 0.20 0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.81 1ug3 h GLY 1357CO -0.49 -0.20 0.12 0.83 0.00 0.00 0.00 176.54 176.81 1ug3 h GLU 1358N -0.31 0.28 0.25 4.80 5.08 -1.81 -2.01 114.58 120.86 1ug3 h GLU 1358Ca 0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1ug3 h GLU 1358Cb 0.45 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1ug3 h GLU 1358CO -0.28 0.23 -0.27 1.25 -1.00 0.00 0.00 179.01 178.95 1ug3 h LEU 1359N 0.25 -0.72 -1.00 1.33 5.85 -0.36 0.16 115.31 120.82 1ug3 h LEU 1359Ca 0.07 0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.95 1ug3 h LEU 1359Cb 0.03 0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 1ug3 h LEU 1359CO -0.01 -0.38 0.63 -0.26 -0.34 0.00 0.00 178.44 178.08 1ug3 h PHE 1360N -0.55 1.16 -0.15 1.25 -1.00 -0.79 0.11 116.94 116.97 1ug3 h PHE 1360Ca -0.00 0.03 -0.21 0.00 2.81 0.00 0.00 57.97 60.60 1ug3 h PHE 1360Cb 0.52 -0.38 0.01 0.00 3.61 0.00 0.00 35.95 39.71 1ug3 h PHE 1360CO -0.18 0.54 -0.74 0.00 -1.61 0.00 0.00 178.31 176.31 1ug3 h ARG 1361N 1.08 0.72 0.15 1.51 3.08 -1.05 -3.05 114.38 116.82 1ug3 h ARG 1361Ca 0.46 -0.57 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1ug3 h ARG 1361Cb 0.32 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1ug3 h ARG 1361CO -0.22 1.19 -0.07 1.49 -1.07 0.00 0.00 179.97 181.29 1ug3 h GLU 1362N 0.50 -0.19 -1.32 0.04 4.57 -0.59 -3.32 114.58 114.27 1ug3 h GLU 1362Ca -0.04 0.01 0.38 0.00 -1.18 0.00 0.00 59.36 58.54 1ug3 h GLU 1362Cb 1.36 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.92 1ug3 h GLU 1362CO 0.15 0.08 0.93 0.97 -1.18 0.00 0.00 179.01 179.96 1ug3 h ILE 1363N -1.00 0.32 -0.00 2.32 6.09 -0.93 -1.95 117.51 122.36 1ug3 h ILE 1363Ca -0.02 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.45 1ug3 h ILE 1363Cb 0.37 0.26 0.00 0.00 0.47 0.00 0.00 36.82 37.91 1ug3 h ILE 1363CO 0.03 0.01 -0.27 0.35 -3.07 0.00 0.00 178.15 175.21 1ug3 n THR 1364N -4.25 0.00 -0.12 2.19 -2.24 -1.15 -4.33 114.28 104.38 1ug3 n THR 1364Ca 0.30 -0.07 -0.05 0.00 -2.27 0.00 0.00 64.05 61.96 1ug3 n THR 1364Cb 1.35 0.18 0.01 0.00 -2.10 0.00 0.00 70.33 69.77 1ug3 n THR 1364CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1ug3 h LYS 1365N 0.66 -0.02 -0.49 -0.78 1.57 -1.46 0.34 116.57 116.38 1ug3 h LYS 1365Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 1ug3 h LYS 1365Cb 0.47 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1ug3 h LYS 1365CO 0.00 -0.02 0.59 -1.35 -0.57 0.00 0.00 179.45 178.11 1ug3 h PRO 1366N -0.03 0.00 -0.10 3.15 0.11 -1.81 1.09 132.00 134.41 1ug3 h PRO 1366Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1ug3 h PRO 1366Cb 0.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1ug3 h PRO 1366CO -0.42 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.65 1ug3 n LEU 1367N -3.53 2.72 -0.24 2.35 4.77 0.11 -4.05 117.00 119.13 1ug3 n LEU 1367Ca 0.10 -0.97 -0.03 0.00 -0.03 0.00 0.00 56.01 55.07 1ug3 n LEU 1367Cb 0.78 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.89 1ug3 n LEU 1367CO 0.25 0.49 1.13 -0.09 -1.33 0.00 0.00 177.39 177.84 1ug3 h ARG 1368N 4.08 0.79 0.63 3.23 2.43 0.21 -0.41 114.38 125.35 1ug3 h ARG 1368Ca 0.00 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1ug3 h ARG 1368Cb 0.87 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1ug3 h ARG 1368CO 0.00 0.52 -0.30 -1.35 -1.51 0.00 0.00 179.97 177.33 1ug3 h PRO 1369N 0.82 -0.82 -0.64 0.20 0.11 -1.70 -3.19 132.00 126.77 1ug3 h PRO 1369Ca 0.27 0.06 0.18 0.00 0.11 0.00 0.00 66.00 66.62 1ug3 h PRO 1369Cb 0.03 0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.30 1ug3 h PRO 1369CO -0.11 -0.53 0.56 -0.07 -0.21 0.00 0.00 178.00 177.63 1ug3 h LEU 1370N -1.21 0.00 1.38 2.35 3.38 -1.72 -3.44 115.31 116.06 1ug3 h LEU 1370Ca -0.09 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.68 1ug3 h LEU 1370Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1ug3 h LEU 1370CO 0.14 0.00 -0.26 0.61 0.09 0.00 0.00 178.44 179.02 1ug3 n GLY 1371N -1.60 -0.04 0.49 0.83 0.00 -0.19 -4.92 105.19 99.77 1ug3 n GLY 1371Ca 0.13 -0.46 0.04 0.00 0.00 0.00 0.00 46.02 45.73 1ug3 n GLY 1371CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ug3 n LYS 1372N -1.99 2.65 -0.28 1.61 4.76 -1.04 -4.75 118.16 119.13 1ug3 n LYS 1372Ca -0.12 -1.85 0.07 0.00 -2.87 0.00 0.00 58.31 53.55 1ug3 n LYS 1372Cb 0.59 -1.21 0.22 0.00 -1.84 0.00 0.00 35.03 32.79 1ug3 n LYS 1372CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ug3 h ALA 1373N 1.61 1.18 -0.85 7.82 0.00 -1.80 -1.73 119.26 125.50 1ug3 h ALA 1373Ca 0.00 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1ug3 h ALA 1373Cb 0.65 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1ug3 h ALA 1373CO 0.00 -0.22 0.53 0.00 0.00 0.00 0.00 179.25 179.55 1ug3 h ALA 1374N 1.59 1.16 -0.87 0.00 0.00 -1.86 -2.44 119.26 116.85 1ug3 h ALA 1374Ca 0.46 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.52 1ug3 h ALA 1374Cb 0.74 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1ug3 h ALA 1374CO -0.43 0.28 0.57 0.77 0.00 0.00 0.00 179.25 180.44 1ug3 h SER 1375N 0.97 0.53 0.00 0.00 0.02 -1.67 0.26 113.55 113.66 1ug3 h SER 1375Ca 0.37 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.31 1ug3 h SER 1375Cb 0.15 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1ug3 h SER 1375CO -0.17 0.25 -0.33 0.25 -1.14 0.00 0.00 176.83 175.69 1ug3 h LEU 1376N 0.55 0.00 -0.93 5.07 5.85 -1.52 -3.30 115.31 121.04 1ug3 h LEU 1376Ca 0.45 -0.38 0.15 0.00 0.84 0.00 0.00 57.88 58.94 1ug3 h LEU 1376Cb 0.89 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.83 1ug3 h LEU 1376CO -0.19 0.87 0.54 -0.07 -0.34 0.00 0.00 178.44 179.25 1ug3 h LEU 1377N -1.00 0.71 -0.45 2.25 3.38 -1.34 -0.70 115.31 118.16 1ug3 h LEU 1377Ca -0.06 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1ug3 h LEU 1377Cb 0.62 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 1ug3 h LEU 1377CO -0.04 0.31 0.18 -0.07 0.09 0.00 0.00 178.44 178.92 1ug3 h LEU 1378N 0.76 0.23 -1.25 1.67 3.38 -1.10 0.29 115.31 119.29 1ug3 h LEU 1378Ca 0.50 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.44 1ug3 h LEU 1378Cb 0.67 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1ug3 h LEU 1378CO -0.34 0.16 -0.25 -0.33 0.09 0.00 0.00 178.44 177.78 1ug3 h GLU 1379N 0.37 0.20 -0.20 1.13 4.39 -1.25 -1.00 114.58 118.23 1ug3 h GLU 1379Ca 0.21 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 1ug3 h GLU 1379Cb 0.17 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1ug3 h GLU 1379CO -0.19 0.44 -0.31 0.82 -1.16 0.00 0.00 179.01 178.61 1ug3 h ILE 1380N 0.18 1.33 -0.29 3.13 2.04 -0.18 -2.20 117.51 121.54 1ug3 h ILE 1380Ca 0.03 -1.53 -0.04 0.00 1.00 0.00 0.00 64.86 64.32 1ug3 h ILE 1380Cb 0.54 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1ug3 h ILE 1380CO 0.04 0.47 -0.00 -0.07 0.00 0.00 0.00 178.15 178.58 1ug3 h LEU 1381N 0.23 0.40 -0.34 1.44 3.38 -0.22 -1.74 115.31 118.46 1ug3 h LEU 1381Ca 0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1ug3 h LEU 1381Cb 0.89 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1ug3 h LEU 1381CO 0.07 0.47 0.15 1.23 0.09 0.00 0.00 178.44 180.45 1ug3 h GLY 1382N 0.75 0.54 0.93 0.83 0.00 -0.99 -0.04 103.07 105.10 1ug3 h GLY 1382Ca 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1ug3 h GLY 1382CO 0.01 0.27 0.13 1.41 0.00 0.00 0.00 176.54 178.36 1ug3 h LEU 1383N 0.41 0.38 -0.18 3.11 3.38 -0.92 -2.07 115.31 119.42 1ug3 h LEU 1383Ca 0.12 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1ug3 h LEU 1383Cb 0.15 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1ug3 h LEU 1383CO -0.01 0.41 0.03 -0.07 0.09 0.00 0.00 178.44 178.89 1ug3 h LEU 1384N 0.32 0.01 -0.65 1.67 3.38 -1.16 -2.03 115.31 116.86 1ug3 h LEU 1384Ca 0.10 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.22 1ug3 h LEU 1384Cb 0.13 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.83 1ug3 h LEU 1384CO -0.01 0.03 0.16 0.00 0.09 0.00 0.00 178.44 178.71 1ug3 h LYS 1386N 0.28 0.53 0.00 0.00 1.57 -0.66 0.20 116.57 118.49 1ug3 h LYS 1386Ca 0.35 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1ug3 h LYS 1386Cb 0.53 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1ug3 h LYS 1386CO -0.43 0.35 -1.28 -1.13 -0.57 0.00 0.00 179.45 176.39 1ug3 n SER 1387N -4.52 0.52 0.00 0.86 3.41 0.51 -4.71 113.62 109.69 1ug3 n SER 1387Ca 0.16 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1ug3 n SER 1387Cb 0.51 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.55 1ug3 n SER 1387CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1ug3 n MET 1388N -2.11 0.00 0.00 4.33 0.00 0.13 -4.88 117.12 114.59 1ug3 n MET 1388Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1ug3 n MET 1388Cb 0.48 -0.27 0.00 0.00 0.00 0.00 0.00 33.22 33.43 1ug3 n MET 1388CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ug3 n GLY 1389N 0.00 -0.13 0.39 3.17 0.00 0.66 -4.46 105.19 104.82 1ug3 n GLY 1389Ca 0.00 -1.25 0.18 0.00 0.00 0.00 0.00 46.02 44.95 1ug3 n GLY 1389CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ug3 h PRO 1390N 0.00 0.44 0.48 1.61 0.11 -1.78 -1.28 132.00 131.58 1ug3 h PRO 1390Ca 0.00 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1ug3 h PRO 1390Cb 0.00 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 1ug3 h PRO 1390CO 0.00 0.29 -0.48 -0.22 -0.21 0.00 0.00 178.00 177.38 1ug3 h LYS 1391N 0.46 -0.93 -0.54 1.05 3.64 -1.87 0.63 116.57 119.00 1ug3 h LYS 1391Ca 0.48 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.91 1ug3 h LYS 1391Cb 1.12 0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 33.13 1ug3 h LYS 1391CO -0.20 -0.62 0.28 -0.22 -2.27 0.00 0.00 179.45 176.42 1ug3 h LYS 1392N -0.97 0.75 -0.25 1.90 3.64 -1.61 -1.56 116.57 118.48 1ug3 h LYS 1392Ca -0.05 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1ug3 h LYS 1392Cb 0.85 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1ug3 h LYS 1392CO -0.07 0.57 0.12 0.28 -2.27 0.00 0.00 179.45 178.08 1ug3 h VAL 1393N 0.76 1.14 -0.97 2.00 2.07 -0.50 -0.51 116.25 120.25 1ug3 h VAL 1393Ca 0.19 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1ug3 h VAL 1393Cb 0.05 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 1ug3 h VAL 1393CO -0.03 0.14 0.63 1.23 0.02 0.00 0.00 177.57 179.56 1ug3 h GLY 1394N 0.27 1.44 0.99 2.17 0.00 0.88 0.50 103.07 109.32 1ug3 h GLY 1394Ca 0.08 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 1ug3 h GLY 1394CO -0.01 0.37 0.27 -0.91 0.00 0.00 0.00 176.54 176.27 1ug3 h THR 1395N 1.18 1.22 -0.49 4.70 1.35 -0.86 0.19 112.91 120.20 1ug3 h THR 1395Ca 0.40 -0.63 -0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1ug3 h THR 1395Cb 0.07 0.53 -0.02 0.00 -1.73 0.00 0.00 68.15 66.99 1ug3 h THR 1395CO -0.14 0.25 0.29 -0.07 -0.25 0.00 0.00 175.52 175.60 1ug3 h LEU 1396N 0.82 0.59 0.13 3.87 3.38 0.02 0.15 115.31 124.27 1ug3 h LEU 1396Ca 0.20 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ug3 h LEU 1396Cb 0.14 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1ug3 h LEU 1396CO -0.02 0.48 -0.09 -0.25 0.09 0.00 0.00 178.44 178.65 1ug3 h TRP 1397N 0.65 -0.22 -0.30 1.13 2.91 -0.53 -2.26 115.95 117.33 1ug3 h TRP 1397Ca 0.17 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.21 1ug3 h TRP 1397Cb 0.01 0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.71 1ug3 h TRP 1397CO -0.03 -0.14 0.15 0.00 -1.03 0.00 0.00 178.44 177.40 1ug3 h ARG 1398N -0.21 0.31 0.00 2.65 3.08 -0.26 -1.82 114.38 118.13 1ug3 h ARG 1398Ca -0.01 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1ug3 h ARG 1398Cb 0.18 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1ug3 h ARG 1398CO 0.01 0.20 -0.01 0.93 -1.07 0.00 0.00 179.97 180.03 1ug3 h GLU 1399N 0.32 0.00 -0.01 0.04 5.08 -0.59 0.54 114.58 119.96 1ug3 h GLU 1399Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1ug3 h GLU 1399Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ug3 h GLU 1399CO -0.08 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 177.94 1ug3 n ALA 1400N -2.32 2.65 -1.98 3.43 0.00 -0.71 -4.87 120.51 116.72 1ug3 n ALA 1400Ca -0.03 -0.25 -0.18 0.00 0.00 0.00 0.00 53.44 52.98 1ug3 n ALA 1400Cb 0.09 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 1ug3 n ALA 1400CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ug3 n GLY 1401N 1.02 0.60 3.78 0.00 0.00 0.19 -4.74 105.19 106.04 1ug3 n GLY 1401Ca 0.22 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1ug3 n GLY 1401CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ug3 s LEU 1402N -4.77 3.89 -0.04 0.99 1.43 -1.05 -5.05 118.68 114.09 1ug3 s LEU 1402Ca 0.00 2.09 -0.02 0.00 -1.03 0.00 0.00 54.13 55.17 1ug3 s LEU 1402Cb 0.00 -4.45 0.02 0.00 0.03 0.00 0.00 46.19 41.79 1ug3 s LEU 1402CO 0.00 -0.89 0.08 -0.55 0.23 0.00 0.00 176.35 175.22 1ug3 s SER 1403N -1.74 -0.04 0.60 2.29 0.15 -1.26 -4.79 113.70 108.90 1ug3 s SER 1403Ca 0.67 0.16 0.34 0.00 0.70 0.00 0.00 55.95 57.82 1ug3 s SER 1403Cb -0.22 0.08 1.92 0.00 -1.71 0.00 0.00 66.02 66.09 1ug3 s SER 1403CO 0.26 -0.10 2.24 -0.50 1.20 0.00 0.00 173.24 176.34 1ug3 h TRP 1404N 6.86 0.00 -0.97 3.44 4.06 -1.98 0.99 115.95 128.36 1ug3 h TRP 1404Ca -0.38 0.00 0.13 0.00 2.06 0.00 0.00 58.89 60.70 1ug3 h TRP 1404Cb 1.16 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 29.23 1ug3 h TRP 1404CO 0.45 0.03 0.60 -0.22 -3.56 0.00 0.00 178.44 175.73 1ug3 h LYS 1405N 0.00 0.89 -0.06 0.49 3.64 -1.95 0.50 116.57 120.08 1ug3 h LYS 1405Ca -0.00 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1ug3 h LYS 1405Cb 0.10 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1ug3 h LYS 1405CO 0.00 0.59 0.13 0.93 -2.27 0.00 0.00 179.45 178.83 1ug3 h GLU 1406N 0.92 0.00 0.00 1.90 5.08 -1.22 -3.13 114.58 118.14 1ug3 h GLU 1406Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1ug3 h GLU 1406Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1ug3 h GLU 1406CO -0.28 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 178.92 1ug3 n PHE 1407N -3.39 0.00 -3.84 4.33 3.72 0.15 -5.07 117.46 113.37 1ug3 n PHE 1407Ca -0.01 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.18 1ug3 n PHE 1407Cb 0.21 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 1ug3 n PHE 1407CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ug3 s LEU 1408N -0.30 3.72 0.53 4.37 1.43 0.07 -4.31 118.68 124.18 1ug3 s LEU 1408Ca 0.00 -0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 52.51 1ug3 s LEU 1408Cb 0.00 -2.33 -0.06 0.00 0.03 0.00 0.00 46.19 43.83 1ug3 s LEU 1408CO 0.00 -0.29 1.17 -2.84 0.23 0.00 0.00 176.35 174.62 1ug3 s PRO 1409N -3.98 3.38 0.35 1.29 0.02 -1.26 -4.93 135.00 129.87 1ug3 s PRO 1409Ca 0.39 1.73 -0.29 0.00 0.02 0.00 0.00 61.00 62.86 1ug3 s PRO 1409Cb -0.07 -2.11 -0.11 0.00 0.02 0.00 0.00 34.50 32.22 1ug3 s PRO 1409CO 0.27 -0.85 1.48 0.39 -0.33 0.00 0.00 177.00 177.96 1ug3 n GLU 1410N -1.12 2.58 0.00 5.54 4.71 -1.26 -1.73 120.64 129.36 1ug3 n GLU 1410Ca 0.11 0.91 0.00 0.00 -0.01 0.00 0.00 57.16 58.16 1ug3 n GLU 1410Cb 0.50 -2.62 0.00 0.00 -1.01 0.00 0.00 31.44 28.30 1ug3 n GLU 1410CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ug3 n GLY 1411N 0.94 2.78 3.68 0.62 0.00 -1.26 -4.99 105.19 106.96 1ug3 n GLY 1411Ca 0.04 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.52 1ug3 n GLY 1411CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ug3 n GLN 1412N -0.15 1.37 -2.31 1.61 -0.06 -0.71 -4.83 117.38 112.29 1ug3 n GLN 1412Ca 0.00 0.50 -0.42 0.00 -2.00 0.00 0.00 57.00 55.08 1ug3 n GLN 1412Cb 0.00 -2.21 -0.02 0.00 -4.06 0.00 0.00 30.24 23.95 1ug3 n GLN 1412CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1ug3 s ASP 1413N 2.81 6.16 0.16 1.69 2.15 -1.26 -4.86 116.67 123.52 1ug3 s ASP 1413Ca 0.93 0.66 -0.19 0.00 0.43 0.00 0.00 52.55 54.38 1ug3 s ASP 1413Cb -0.96 -2.54 0.07 0.00 -0.30 0.00 0.00 42.92 39.19 1ug3 s ASP 1413CO 0.58 -1.61 1.65 0.40 -0.17 0.00 0.00 175.17 176.02 1ug3 h ILE 1414N 6.49 0.50 -0.85 4.11 1.08 -1.97 -0.61 117.51 126.27 1ug3 h ILE 1414Ca -0.28 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.41 1ug3 h ILE 1414Cb 1.11 0.50 -0.13 0.00 -3.07 0.00 0.00 36.82 35.23 1ug3 h ILE 1414CO 1.12 0.00 0.25 1.23 -0.69 0.00 0.00 178.15 180.06 1ug3 h GLY 1415N -0.11 1.31 0.52 5.37 0.00 -2.00 0.04 103.07 108.20 1ug3 h GLY 1415Ca 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1ug3 h GLY 1415CO -0.41 -0.31 -0.16 0.00 0.00 0.00 0.00 176.54 175.66 1ug3 h ALA 1416N 1.73 -0.44 -0.51 3.60 0.00 -1.59 -2.46 119.26 119.59 1ug3 h ALA 1416Ca 0.52 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.35 1ug3 h ALA 1416Cb 1.01 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 1ug3 h ALA 1416CO -0.60 -0.50 -0.24 0.35 0.00 0.00 0.00 179.25 178.25 1ug3 h PHE 1417N -0.93 -0.61 -0.92 0.00 3.57 -0.62 0.46 116.94 117.90 1ug3 h PHE 1417Ca -0.05 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1ug3 h PHE 1417Cb 0.52 0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.56 1ug3 h PHE 1417CO 0.04 -0.32 0.61 0.28 -2.23 0.00 0.00 178.31 176.68 1ug3 h VAL 1418N -0.12 1.23 -0.38 1.41 2.07 -1.09 0.12 116.25 119.50 1ug3 h VAL 1418Ca 0.23 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.23 1ug3 h VAL 1418Cb 0.49 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1ug3 h VAL 1418CO -0.59 0.23 -0.16 0.00 0.02 0.00 0.00 177.57 177.07 1ug3 h ALA 1419N 1.43 0.53 -0.18 1.67 0.00 -0.48 -1.05 119.26 121.18 1ug3 h ALA 1419Ca 0.34 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1ug3 h ALA 1419Cb -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1ug3 h ALA 1419CO -0.07 0.45 -0.49 1.05 0.00 0.00 0.00 179.25 180.18 1ug3 h GLU 1420N 0.58 0.65 -0.00 0.00 4.11 0.36 -3.08 114.58 117.20 1ug3 h GLU 1420Ca 0.09 -0.46 0.00 0.00 0.07 0.00 0.00 59.36 59.05 1ug3 h GLU 1420Cb 0.71 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1ug3 h GLU 1420CO 0.05 1.08 -0.01 1.04 0.07 0.00 0.00 179.01 181.25 1ug3 n GLN 1421N -4.17 0.91 -3.28 1.06 3.00 0.37 -4.93 117.38 110.34 1ug3 n GLN 1421Ca -0.06 -0.07 -0.16 0.00 -0.01 0.00 0.00 57.00 56.69 1ug3 n GLN 1421Cb 0.59 -1.50 0.07 0.00 0.00 0.00 0.00 30.24 29.41 1ug3 n GLN 1421CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1ug3 n LYS 1422N -0.98 -5.96 -1.96 -1.09 5.02 -0.85 -4.95 118.16 107.38 1ug3 n LYS 1422Ca 0.21 0.72 -0.10 0.00 -2.02 0.00 0.00 58.31 57.12 1ug3 n LYS 1422Cb 0.16 -5.37 0.06 0.00 -0.02 0.00 0.00 35.03 29.85 1ug3 n LYS 1422CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1ug3 n VAL 1423N -3.93 1.89 0.30 -0.18 0.24 -0.46 -4.80 118.33 111.40 1ug3 n VAL 1423Ca -0.18 -3.40 0.19 0.00 -2.04 0.00 0.00 64.34 58.91 1ug3 n VAL 1423Cb 0.62 -0.12 1.00 0.00 -1.47 0.00 0.00 33.84 33.87 1ug3 n VAL 1423CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1ug3 h GLU 1424N 1.99 0.00 0.00 7.34 3.07 -1.93 -1.03 114.58 124.02 1ug3 h GLU 1424Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1ug3 h GLU 1424Cb 1.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.32 1ug3 h GLU 1424CO 0.41 0.00 0.00 0.10 -1.40 0.00 0.00 179.01 178.12 1ug3 h TYR 1425N 0.00 0.00 0.00 4.33 -0.00 -1.92 -1.43 116.97 117.94 1ug3 h TYR 1425Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.75 1ug3 h TYR 1425Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.97 1ug3 h TYR 1425CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.41 1ug3 n THR 1426N -2.98 0.48 -1.99 -0.90 -2.24 -0.39 -4.29 114.28 101.97 1ug3 n THR 1426Ca -0.01 -0.22 -0.25 0.00 -2.27 0.00 0.00 64.05 61.30 1ug3 n THR 1426Cb 0.16 -0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 67.75 1ug3 n THR 1426CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ug3 s LEU 1427N -4.21 3.11 0.03 3.22 1.43 -0.54 -4.66 118.68 117.06 1ug3 s LEU 1427Ca 0.11 -0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 1ug3 s LEU 1427Cb 0.14 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.81 1ug3 s LEU 1427CO 0.58 -2.92 0.30 0.00 0.23 0.00 0.00 176.35 174.53 1ug3 s ALA 1438N 10.77 -0.68 0.26 4.21 0.00 -1.26 -5.01 121.76 130.05 1ug3 s ALA 1438Ca 0.73 0.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 1ug3 s ALA 1438Cb -0.07 0.26 -0.10 0.00 0.00 0.00 0.00 23.12 23.21 1ug3 s ALA 1438CO 0.01 -0.37 1.36 -0.51 0.00 0.00 0.00 175.76 176.26 1ug3 s LEU 1439N -1.90 4.41 0.38 0.00 1.43 -1.26 -4.88 118.68 116.87 1ug3 s LEU 1439Ca -0.07 2.60 0.08 0.00 -1.03 0.00 0.00 54.13 55.71 1ug3 s LEU 1439Cb -0.02 -3.63 0.84 0.00 0.03 0.00 0.00 46.19 43.41 1ug3 s LEU 1439CO -0.02 -0.60 1.97 -0.65 0.23 0.00 0.00 176.35 177.28 1ug3 h PRO 1440N 4.63 0.62 -0.56 1.29 0.11 -2.05 0.68 132.00 136.72 1ug3 h PRO 1440Ca -0.46 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1ug3 h PRO 1440Cb 1.22 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1ug3 h PRO 1440CO 0.74 0.41 0.12 0.66 -0.21 0.00 0.00 178.00 179.72 1ug3 h SER 1441N 0.64 0.81 0.73 -2.05 4.64 -2.00 -0.46 113.55 115.87 1ug3 h SER 1441Ca 0.30 -0.15 -0.25 0.00 -0.47 0.00 0.00 61.79 61.21 1ug3 h SER 1441Cb 0.34 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1ug3 h SER 1441CO -0.10 0.80 -1.16 -0.33 -0.87 0.00 0.00 176.83 175.18 1ug3 h GLU 1442N 0.83 0.20 -0.53 4.77 5.08 -1.65 -3.12 114.58 120.15 1ug3 h GLU 1442Ca 0.18 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1ug3 h GLU 1442Cb 0.32 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1ug3 h GLU 1442CO 0.00 1.15 0.26 1.49 -1.00 0.00 0.00 179.01 180.91 1ug3 h GLU 1443N 0.06 0.74 -0.10 2.33 4.57 -0.60 -2.40 114.58 119.18 1ug3 h GLU 1443Ca -0.10 -0.09 0.04 0.00 -1.18 0.00 0.00 59.36 58.04 1ug3 h GLU 1443Cb 1.90 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 30.29 1ug3 h GLU 1443CO 0.18 0.58 -0.23 1.25 -1.18 0.00 0.00 179.01 179.61 1ug3 h LEU 1444N 0.75 -0.70 -0.77 1.64 6.46 -1.02 -0.33 115.31 121.33 1ug3 h LEU 1444Ca 0.19 0.11 0.09 0.00 -0.12 0.00 0.00 57.88 58.15 1ug3 h LEU 1444Cb 0.08 0.31 -0.07 0.00 -0.73 0.00 0.00 40.66 40.24 1ug3 h LEU 1444CO -0.03 -0.28 0.41 0.78 -0.62 0.00 0.00 178.44 178.71 1ug3 h ASN 1445N -0.31 0.57 -0.71 1.25 2.35 -1.46 -0.57 115.58 116.70 1ug3 h ASN 1445Ca 0.09 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 1ug3 h ASN 1445Cb 0.44 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1ug3 h ASN 1445CO -0.28 0.32 0.24 0.03 -1.65 0.00 0.00 177.43 176.10 1ug3 h ARG 1446N 0.70 1.10 -0.04 0.81 3.08 -1.06 -1.35 114.38 117.62 1ug3 h ARG 1446Ca 0.37 -0.22 -0.24 0.00 0.07 0.00 0.00 59.98 59.97 1ug3 h ARG 1446Cb 0.37 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.26 1ug3 h ARG 1446CO -0.26 0.92 -0.92 1.96 -1.07 0.00 0.00 179.97 180.60 1ug3 h GLN 1447N 1.06 0.59 -0.48 0.04 4.20 -0.23 -2.01 115.11 118.29 1ug3 h GLN 1447Ca 0.24 -0.59 -0.11 0.00 0.06 0.00 0.00 58.65 58.25 1ug3 h GLN 1447Cb 0.27 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1ug3 h GLN 1447CO -0.01 1.20 -0.12 -0.07 -0.67 0.00 0.00 178.83 179.16 1ug3 h LEU 1448N 0.36 0.94 -0.29 1.46 3.38 -1.08 -0.56 115.31 119.51 1ug3 h LEU 1448Ca -0.09 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.56 1ug3 h LEU 1448Cb 1.55 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 1ug3 h LEU 1448CO 0.17 1.08 0.07 -0.08 0.09 0.00 0.00 178.44 179.78 1ug3 h GLU 1449N 0.78 0.19 -0.14 1.13 4.81 -1.23 -1.25 114.58 118.87 1ug3 h GLU 1449Ca 0.12 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1ug3 h GLU 1449Cb 0.67 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1ug3 h GLU 1449CO 0.05 0.12 0.08 -0.22 -0.73 0.00 0.00 179.01 178.31 1ug3 h LYS 1450N 0.19 0.19 -0.55 1.92 3.64 -1.14 0.92 116.57 121.73 1ug3 h LYS 1450Ca 0.13 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.61 1ug3 h LYS 1450Cb 0.13 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.82 1ug3 h LYS 1450CO -0.16 0.18 0.03 -0.07 -2.27 0.00 0.00 179.45 177.15 1ug3 h LEU 1451N 0.15 -0.18 -0.27 5.20 3.38 -0.63 0.11 115.31 123.07 1ug3 h LEU 1451Ca 0.05 0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 1ug3 h LEU 1451Cb 0.04 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1ug3 h LEU 1451CO -0.01 -0.07 -0.17 -0.07 0.09 0.00 0.00 178.44 178.21 1ug3 h LEU 1452N 0.15 0.61 -0.91 1.67 3.38 -0.98 -2.26 115.31 116.97 1ug3 h LEU 1452Ca 0.28 -0.43 0.15 0.00 0.09 0.00 0.00 57.88 57.97 1ug3 h LEU 1452Cb 0.44 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 1ug3 h LEU 1452CO -0.44 0.91 0.52 0.50 0.09 0.00 0.00 178.44 180.02 1ug3 h LYS 1453N 0.31 0.72 -0.49 1.13 1.63 0.05 0.10 116.57 120.03 1ug3 h LYS 1453Ca 0.05 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1ug3 h LYS 1453Cb 0.71 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1ug3 h LYS 1453CO 0.05 0.48 0.00 -0.85 -3.45 0.00 0.00 179.45 175.68 1ug3 n GLU 1454N -4.78 1.50 -2.36 1.90 0.28 -0.06 -4.89 120.64 112.23 1ug3 n GLU 1454Ca 0.18 -0.53 -0.17 0.00 -0.16 0.00 0.00 57.16 56.48 1ug3 n GLU 1454Cb 0.43 -1.34 -0.01 0.00 1.43 0.00 0.00 31.44 31.95 1ug3 n GLU 1454CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ug3 n GLY 1455N 0.45 -0.34 3.76 -1.84 0.00 0.35 -4.96 105.19 102.60 1ug3 n GLY 1455Ca 0.05 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1ug3 n GLY 1455CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ug3 n SER 1456N -1.33 3.18 -4.82 1.61 7.64 -0.86 -4.99 113.62 114.06 1ug3 n SER 1456Ca -0.20 1.09 -0.30 0.00 1.01 0.00 0.00 58.87 60.47 1ug3 n SER 1456Cb 0.65 -1.60 0.09 0.00 -1.01 0.00 0.00 64.21 62.34 1ug3 n SER 1456CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ug3 s SER 1457N -0.57 4.59 0.32 6.43 1.04 -1.26 -4.88 113.70 119.37 1ug3 s SER 1457Ca 0.64 1.25 0.00 0.00 0.48 0.00 0.00 55.95 58.32 1ug3 s SER 1457Cb -0.44 -1.98 0.53 0.00 0.10 0.00 0.00 66.02 64.23 1ug3 s SER 1457CO 0.56 -1.90 1.96 0.78 0.98 0.00 0.00 173.24 175.62 1ug3 h ASN 1458N -1.04 0.87 -0.35 7.02 2.35 -1.94 -2.17 115.58 120.32 1ug3 h ASN 1458Ca -0.47 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.26 1ug3 h ASN 1458Cb 1.27 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.42 1ug3 h ASN 1458CO 0.60 0.61 0.19 1.56 -1.65 0.00 0.00 177.43 178.73 1ug3 h GLN 1459N 1.01 0.49 -0.85 0.81 1.08 -1.98 0.28 115.11 115.95 1ug3 h GLN 1459Ca 0.31 -0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.51 1ug3 h GLN 1459Cb 0.00 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.28 1ug3 h GLN 1459CO -0.09 0.41 0.53 -0.09 -0.95 0.00 0.00 178.83 178.64 1ug3 h ARG 1460N 0.43 0.94 -0.32 1.46 2.43 -1.79 0.35 114.38 117.89 1ug3 h ARG 1460Ca 0.12 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 1ug3 h ARG 1460Cb 0.07 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1ug3 h ARG 1460CO -0.02 0.62 -0.20 0.28 -1.51 0.00 0.00 179.97 179.14 1ug3 h VAL 1461N 0.97 1.29 -0.32 0.20 2.07 -0.89 -0.03 116.25 119.54 1ug3 h VAL 1461Ca 0.37 -1.33 0.05 0.00 0.82 0.00 0.00 66.70 66.60 1ug3 h VAL 1461Cb 0.15 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1ug3 h VAL 1461CO -0.17 0.43 0.07 -0.26 0.02 0.00 0.00 177.57 177.66 1ug3 h PHE 1462N 0.46 0.12 -0.37 1.57 0.04 0.51 -0.98 116.94 118.27 1ug3 h PHE 1462Ca 0.06 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 1ug3 h PHE 1462Cb 0.75 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 1ug3 h PHE 1462CO 0.06 0.03 0.17 -0.44 -0.60 0.00 0.00 178.31 177.53 1ug3 h ASP 1463N 0.19 0.50 -0.23 2.17 3.32 -0.21 -2.18 116.42 119.98 1ug3 h ASP 1463Ca 0.15 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.10 1ug3 h ASP 1463Cb 0.16 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1ug3 h ASP 1463CO -0.19 0.50 -0.02 -0.25 -1.72 0.00 0.00 179.24 177.56 1ug3 h TRP 1464N 0.46 -0.05 -0.41 4.55 7.01 -0.60 0.31 115.95 127.23 1ug3 h TRP 1464Ca 0.13 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.20 1ug3 h TRP 1464Cb 0.15 0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.21 1ug3 h TRP 1464CO -0.01 -0.05 0.10 0.82 -2.79 0.00 0.00 178.44 176.51 1ug3 h ILE 1465N 0.05 0.81 -0.77 2.65 2.04 -1.03 0.30 117.51 121.56 1ug3 h ILE 1465Ca 0.11 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 1ug3 h ILE 1465Cb 0.15 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1ug3 h ILE 1465CO -0.20 0.04 0.36 -0.33 0.00 0.00 0.00 178.15 178.03 1ug3 h GLU 1466N 0.24 1.10 0.00 2.37 4.39 -0.72 -0.86 114.58 121.10 1ug3 h GLU 1466Ca 0.20 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 1ug3 h GLU 1466Cb 0.22 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1ug3 h GLU 1466CO -0.24 0.86 -0.31 0.00 -1.16 0.00 0.00 179.01 178.15 1ug3 h ALA 1467N 1.30 0.83 0.00 3.43 0.00 0.52 -3.38 119.26 121.95 1ug3 h ALA 1467Ca 0.26 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ug3 h ALA 1467Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ug3 h ALA 1467CO -0.03 0.39 -1.16 0.09 0.00 0.00 0.00 179.25 178.53 1ug3 n ASN 1468N -3.22 1.90 -4.65 0.00 3.02 0.97 -5.02 115.26 108.25 1ug3 n ASN 1468Ca 0.02 -0.24 -0.25 0.00 -0.03 0.00 0.00 54.58 54.08 1ug3 n ASN 1468Cb 0.62 1.33 -0.08 0.00 -0.61 0.00 0.00 39.78 41.04 1ug3 n ASN 1468CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ug3 s LEU 1469N -3.33 3.26 0.80 3.41 1.43 -0.35 -5.06 118.68 118.83 1ug3 s LEU 1469Ca -0.01 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 1ug3 s LEU 1469Cb 0.07 -1.87 0.09 0.00 0.03 0.00 0.00 46.19 44.51 1ug3 s LEU 1469CO 0.44 0.06 1.15 -0.94 0.23 0.00 0.00 176.35 177.28 1ug3 s SER 1470N -3.18 4.40 0.17 2.29 1.04 -1.26 -4.79 113.70 112.38 1ug3 s SER 1470Ca 0.28 0.58 -0.14 0.00 0.48 0.00 0.00 55.95 57.16 1ug3 s SER 1470Cb -0.08 -1.06 0.14 0.00 0.10 0.00 0.00 66.02 65.12 1ug3 s SER 1470CO 0.19 -1.93 1.74 -0.33 0.98 0.00 0.00 173.24 173.89 1ug3 h GLU 1471N -0.99 0.29 -0.27 4.02 5.08 -1.99 0.12 114.58 120.84 1ug3 h GLU 1471Ca -0.45 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 1ug3 h GLU 1471Cb 1.31 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1ug3 h GLU 1471CO 0.60 0.19 0.13 1.96 -1.00 0.00 0.00 179.01 180.89 1ug3 h GLN 1472N 0.30 0.39 -0.94 2.33 1.08 -1.99 -2.78 115.11 113.49 1ug3 h GLN 1472Ca 0.22 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.38 1ug3 h GLN 1472Cb 0.23 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.54 1ug3 h GLN 1472CO -0.24 0.38 0.62 1.96 -0.95 0.00 0.00 178.83 180.60 1ug3 h GLN 1473N 0.30 1.20 -0.40 1.46 4.20 -1.77 -2.64 115.11 117.48 1ug3 h GLN 1473Ca 0.09 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1ug3 h GLN 1473Cb 0.12 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1ug3 h GLN 1473CO -0.01 0.80 0.25 0.82 -0.67 0.00 0.00 178.83 180.02 1ug3 h ILE 1474N 1.24 1.11 -0.65 2.54 2.04 -0.51 -2.53 117.51 120.75 1ug3 h ILE 1474Ca 0.36 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1ug3 h ILE 1474Cb -0.08 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1ug3 h ILE 1474CO -0.09 0.11 0.00 1.33 0.00 0.00 0.00 178.15 179.50 1ug3 n VAL 1475N -4.46 0.92 -2.05 1.67 0.24 -1.02 -4.94 118.33 108.68 1ug3 n VAL 1475Ca 0.03 -0.96 -0.33 0.00 -2.04 0.00 0.00 64.34 61.04 1ug3 n VAL 1475Cb 0.07 0.57 0.01 0.00 -1.47 0.00 0.00 33.84 33.03 1ug3 n VAL 1475CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1ug3 s SER 1476N -1.07 5.70 0.34 -1.34 1.04 -0.95 -4.95 113.70 112.47 1ug3 s SER 1476Ca 0.45 1.89 0.12 0.00 0.48 0.00 0.00 55.95 58.89 1ug3 s SER 1476Cb 0.24 -2.54 0.59 0.00 0.10 0.00 0.00 66.02 64.41 1ug3 s SER 1476CO 0.32 -1.22 1.75 0.78 0.98 0.00 0.00 173.24 175.84 1ug3 h ASN 1477N 0.51 0.00 -0.37 7.02 2.35 -1.92 -2.80 115.58 120.38 1ug3 h ASN 1477Ca -0.47 -0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.32 1ug3 h ASN 1477Cb 1.23 -0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.56 1ug3 h ASN 1477CO 0.57 0.46 0.11 0.74 -1.65 0.00 0.00 177.43 177.66 1ug3 h THR 1478N 0.00 0.87 -0.34 2.81 2.02 -1.92 0.16 112.91 116.52 1ug3 h THR 1478Ca -0.00 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1ug3 h THR 1478Cb 0.81 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1ug3 h THR 1478CO 0.06 0.05 0.19 0.25 0.37 0.00 0.00 175.52 176.44 1ug3 h LEU 1479N 0.26 0.41 -0.16 2.58 6.46 -1.74 -0.05 115.31 123.07 1ug3 h LEU 1479Ca 0.17 -0.07 0.05 0.00 -0.12 0.00 0.00 57.88 57.91 1ug3 h LEU 1479Cb 0.16 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 39.93 1ug3 h LEU 1479CO -0.19 0.36 -0.19 0.58 -0.62 0.00 0.00 178.44 178.38 1ug3 h VAL 1480N 0.43 0.51 -0.18 1.05 2.07 -1.11 0.31 116.25 119.33 1ug3 h VAL 1480Ca 0.12 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 1ug3 h VAL 1480Cb 0.03 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1ug3 h VAL 1480CO -0.02 0.00 0.10 0.03 0.02 0.00 0.00 177.57 177.70 1ug3 h ARG 1481N -0.23 0.25 -0.34 1.57 3.08 -0.44 -0.23 114.38 118.04 1ug3 h ARG 1481Ca 0.11 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1ug3 h ARG 1481Cb 0.39 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1ug3 h ARG 1481CO -0.29 0.25 0.18 0.00 -1.07 0.00 0.00 179.97 179.04 1ug3 h ALA 1482N 0.99 0.43 -0.23 0.04 0.00 -0.70 -0.20 119.26 119.60 1ug3 h ALA 1482Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ug3 h ALA 1482Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ug3 h ALA 1482CO -0.01 -0.04 0.15 1.25 0.00 0.00 0.00 179.25 180.60 1ug3 h LEU 1483N 0.42 0.26 -0.37 0.00 6.46 -0.26 0.27 115.31 122.09 1ug3 h LEU 1483Ca 0.12 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.89 1ug3 h LEU 1483Cb 0.07 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 1ug3 h LEU 1483CO -0.02 0.19 0.20 -0.03 -0.62 0.00 0.00 178.44 178.17 1ug3 h MET 1484N 0.30 0.40 0.05 1.25 4.05 -0.84 -0.16 114.93 119.99 1ug3 h MET 1484Ca 0.08 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1ug3 h MET 1484Cb -0.03 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.68 1ug3 h MET 1484CO -0.02 0.27 -0.02 1.15 0.23 0.00 0.00 176.91 178.52 1ug3 h THR 1485N 0.42 1.01 -0.27 -0.77 2.02 -0.65 -0.21 112.91 114.46 1ug3 h THR 1485Ca 0.15 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1ug3 h THR 1485Cb 0.03 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1ug3 h THR 1485CO -0.09 0.05 0.16 0.00 0.37 0.00 0.00 175.52 176.01 1ug3 h ALA 1486N 0.79 0.35 -0.21 6.16 0.00 -0.80 0.56 119.26 126.11 1ug3 h ALA 1486Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ug3 h ALA 1486Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ug3 h ALA 1486CO 0.01 -0.14 0.10 0.28 0.00 0.00 0.00 179.25 179.51 1ug3 h VAL 1487N 0.33 1.13 -0.61 0.00 2.07 -0.94 -0.01 116.25 118.21 1ug3 h VAL 1487Ca 0.10 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 1ug3 h VAL 1487Cb 0.04 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1ug3 h VAL 1487CO -0.02 0.13 0.10 0.00 0.02 0.00 0.00 177.57 177.80 1ug3 h TYR 1489N 0.93 0.79 0.00 0.00 3.20 -0.56 -1.46 116.97 119.87 1ug3 h TYR 1489Ca 0.19 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1ug3 h TYR 1489Cb 0.40 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1ug3 h TYR 1489CO 0.03 0.56 0.00 0.66 -1.64 0.00 0.00 178.16 177.77 1ug3 h SER 1490N 0.79 0.00 -0.35 -2.11 4.64 -0.65 -1.69 113.55 114.18 1ug3 h SER 1490Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1ug3 h SER 1490Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1ug3 h SER 1490CO -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.92 1ug3 n ALA 1491N -1.82 2.44 -2.50 5.18 0.00 -0.56 -4.93 120.51 118.32 1ug3 n ALA 1491Ca -0.00 -0.91 -0.41 0.00 0.00 0.00 0.00 53.44 52.12 1ug3 n ALA 1491Cb 0.11 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 1ug3 n ALA 1491CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ug3 s ILE 1492N -1.55 4.76 -0.36 0.00 1.01 -0.64 -0.32 121.20 124.10 1ug3 s ILE 1492Ca 0.37 1.83 -0.11 0.00 0.00 0.00 0.00 60.65 62.74 1ug3 s ILE 1492Cb 0.22 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.49 1ug3 s ILE 1492CO 0.31 0.28 0.21 -0.63 0.00 0.00 0.00 174.94 175.10 1ug3 s ILE 1493N 0.39 4.73 -1.45 2.92 1.01 0.42 -4.90 121.20 124.32 1ug3 s ILE 1493Ca 0.44 -0.69 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 1ug3 s ILE 1493Cb -0.21 -3.58 0.04 0.00 0.01 0.00 0.00 42.46 38.73 1ug3 s ILE 1493CO 0.25 -0.16 2.30 0.49 0.00 0.00 0.00 174.94 177.82 1ug3 n PHE 1494N 5.03 3.22 -3.63 3.97 3.01 -1.26 -2.21 117.46 125.58 1ug3 n PHE 1494Ca -0.12 -2.96 -0.05 0.00 1.01 0.00 0.00 57.45 55.33 1ug3 n PHE 1494Cb 0.47 -2.42 -0.00 0.00 -0.01 0.00 0.00 39.48 37.52 1ug3 n PHE 1494CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1ug3 n GLU 1495N 5.15 1.41 -3.93 -1.08 1.02 -1.26 -4.82 120.64 117.13 1ug3 n GLU 1495Ca 0.55 -0.59 -0.30 0.00 -0.02 0.00 0.00 57.16 56.79 1ug3 n GLU 1495Cb 0.35 0.08 -0.15 0.00 -0.02 0.00 0.00 31.44 31.70 1ug3 n GLU 1495CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ug3 s THR 1496N -0.56 1.55 0.95 2.62 2.01 -1.26 -2.51 115.64 118.44 1ug3 s THR 1496Ca 0.05 -1.37 -0.15 0.00 0.31 0.00 0.00 61.69 60.52 1ug3 s THR 1496Cb -0.00 -1.89 0.19 0.00 0.01 0.00 0.00 72.50 70.81 1ug3 s THR 1496CO 0.03 -0.22 1.30 -2.16 -0.69 0.00 0.00 174.62 172.88 1ug3 s PRO 1497N 1.36 0.71 0.42 4.92 0.04 -1.26 -5.13 135.00 136.06 1ug3 s PRO 1497Ca -0.02 -0.45 -0.23 0.00 0.04 0.00 0.00 61.00 60.33 1ug3 s PRO 1497Cb -0.19 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1ug3 s PRO 1497CO -0.08 -2.35 1.06 -0.51 0.04 0.00 0.00 177.00 175.15 1ug3 s LEU 1498N -5.84 4.08 0.22 -3.56 1.43 -1.04 -4.94 118.68 109.02 1ug3 s LEU 1498Ca 0.73 2.04 -0.00 0.00 -1.03 0.00 0.00 54.13 55.88 1ug3 s LEU 1498Cb -0.04 -4.26 -0.04 0.00 0.03 0.00 0.00 46.19 41.88 1ug3 s LEU 1498CO 0.52 -0.58 0.13 0.00 0.23 0.00 0.00 176.35 176.65 1ug3 s ARG 1499N -2.65 1.28 -0.17 1.70 1.70 -0.94 -4.96 118.95 114.92 1ug3 s ARG 1499Ca 0.60 -1.68 -0.06 0.00 -0.47 0.00 0.00 55.73 54.11 1ug3 s ARG 1499Cb -0.22 0.11 -0.04 0.00 -0.57 0.00 0.00 34.95 34.24 1ug3 s ARG 1499CO 0.27 -0.37 0.03 0.08 -1.08 0.00 0.00 175.30 174.23 1ug3 s VAL 1500N -4.01 4.54 -0.83 4.99 1.01 -1.26 -0.44 120.40 124.40 1ug3 s VAL 1500Ca 0.39 -0.12 -0.20 0.00 0.00 0.00 0.00 61.98 62.04 1ug3 s VAL 1500Cb 0.07 -3.03 0.10 0.00 0.00 0.00 0.00 36.38 33.53 1ug3 s VAL 1500CO 0.13 0.48 1.08 -0.62 0.00 0.00 0.00 175.10 176.17 1ug3 s ASP 1501N 0.29 6.44 0.59 3.32 -1.08 0.56 -4.85 116.67 121.94 1ug3 s ASP 1501Ca 0.02 -1.61 0.30 0.00 -0.52 0.00 0.00 52.55 50.74 1ug3 s ASP 1501Cb -0.13 -2.41 1.80 0.00 -1.46 0.00 0.00 42.92 40.72 1ug3 s ASP 1501CO 0.01 -1.23 2.22 -0.37 0.52 0.00 0.00 175.17 176.31 1ug3 h VAL 1502N 5.95 0.49 -0.40 1.11 -1.51 -1.96 -0.83 116.25 119.09 1ug3 h VAL 1502Ca -0.01 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.40 1ug3 h VAL 1502Cb 1.04 0.95 -0.02 0.00 -2.13 0.00 0.00 31.29 31.13 1ug3 h VAL 1502CO 1.16 0.00 -0.01 0.00 -1.23 0.00 0.00 177.57 177.48 1ug3 h ALA 1503N 1.93 1.23 -0.26 5.19 0.00 -1.97 -0.45 119.26 124.92 1ug3 h ALA 1503Ca 0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1ug3 h ALA 1503Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ug3 h ALA 1503CO -0.00 0.51 -0.03 0.28 0.00 0.00 0.00 179.25 180.01 1ug3 h VAL 1504N 0.61 1.27 0.11 0.00 2.07 -1.53 -1.63 116.25 117.15 1ug3 h VAL 1504Ca 0.12 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1ug3 h VAL 1504Cb 0.40 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1ug3 h VAL 1504CO 0.02 0.31 -0.06 -0.07 0.02 0.00 0.00 177.57 177.79 1ug3 h LEU 1505N 0.25 -0.15 -0.60 2.57 3.38 -1.41 -1.16 115.31 118.19 1ug3 h LEU 1505Ca 0.07 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.16 1ug3 h LEU 1505Cb 0.47 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 1ug3 h LEU 1505CO 0.02 -0.10 0.15 0.50 0.09 0.00 0.00 178.44 179.10 1ug3 h LYS 1506N -0.16 0.28 0.00 1.13 3.64 -1.01 0.33 116.57 120.79 1ug3 h LYS 1506Ca -0.01 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1ug3 h LYS 1506Cb 0.13 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1ug3 h LYS 1506CO 0.02 0.19 -0.09 0.00 -2.27 0.00 0.00 179.45 177.29 1ug3 h ALA 1507N 1.47 1.67 -0.01 5.00 0.00 -0.75 -2.65 119.26 123.99 1ug3 h ALA 1507Ca 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ug3 h ALA 1507Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ug3 h ALA 1507CO -0.38 0.12 -0.65 0.54 0.00 0.00 0.00 179.25 178.88 1ug3 n ARG 1508N -4.18 0.77 -0.29 0.00 5.12 0.18 -4.59 116.66 113.66 1ug3 n ARG 1508Ca -0.03 -0.63 0.06 0.00 -1.93 0.00 0.00 57.85 55.32 1ug3 n ARG 1508Cb 0.18 -1.49 0.15 0.00 -1.16 0.00 0.00 32.46 30.14 1ug3 n ARG 1508CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ug3 h ALA 1509N 3.57 0.71 -0.47 7.54 0.00 -0.08 0.19 119.26 130.72 1ug3 h ALA 1509Ca 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1ug3 h ALA 1509Cb 0.66 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1ug3 h ALA 1509CO 0.00 -0.43 0.13 0.87 0.00 0.00 0.00 179.25 179.81 1ug3 h LYS 1510N 0.03 0.70 -0.13 0.00 6.56 -1.81 0.40 116.57 122.32 1ug3 h LYS 1510Ca 0.44 -0.12 -0.01 0.00 -1.06 0.00 0.00 60.65 59.90 1ug3 h LYS 1510Cb 0.74 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.28 1ug3 h LYS 1510CO -0.83 0.63 0.06 1.25 -2.06 0.00 0.00 179.45 178.49 1ug3 h LEU 1511N 0.68 0.18 -0.31 2.94 6.46 -0.96 -2.46 115.31 121.85 1ug3 h LEU 1511Ca 0.16 -0.15 -0.07 0.00 -0.12 0.00 0.00 57.88 57.70 1ug3 h LEU 1511Cb 0.23 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 1ug3 h LEU 1511CO -0.01 0.28 -0.08 -0.07 -0.62 0.00 0.00 178.44 177.94 1ug3 h LEU 1512N 0.07 0.60 -1.20 2.25 3.38 -0.98 -3.13 115.31 116.29 1ug3 h LEU 1512Ca 0.04 -0.37 0.12 0.00 0.09 0.00 0.00 57.88 57.76 1ug3 h LEU 1512Cb 0.15 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 1ug3 h LEU 1512CO -0.00 0.83 0.58 1.56 0.09 0.00 0.00 178.44 181.50 1ug3 h GLN 1513N 0.37 0.80 -0.54 1.13 4.20 -0.87 0.27 115.11 120.48 1ug3 h GLN 1513Ca 0.08 -0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.83 1ug3 h GLN 1513Cb 0.57 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 28.10 1ug3 h GLN 1513CO 0.03 0.53 0.15 -0.22 -0.67 0.00 0.00 178.83 178.65 1ug3 h LYS 1514N 0.83 0.29 0.00 1.46 3.11 -1.38 -2.95 116.57 117.92 1ug3 h LYS 1514Ca 0.44 -0.02 -0.19 0.00 -2.81 0.00 0.00 60.65 58.07 1ug3 h LYS 1514Cb 0.54 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.67 1ug3 h LYS 1514CO -0.20 0.19 -1.71 0.66 -2.81 0.00 0.00 179.45 175.58 1ug3 n TYR 1515N -5.07 0.64 -1.84 1.91 4.01 -0.78 -4.16 117.16 111.86 1ug3 n TYR 1515Ca 0.07 0.21 -0.40 0.00 -0.16 0.00 0.00 57.90 57.62 1ug3 n TYR 1515Cb 0.25 -0.99 -0.01 0.00 -0.31 0.00 0.00 39.34 38.29 1ug3 n TYR 1515CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1ug3 n LEU 1516N -2.77 8.06 -0.02 7.72 4.32 0.89 -4.67 117.00 130.53 1ug3 n LEU 1516Ca -0.14 -4.71 0.16 0.00 -0.02 0.00 0.00 56.01 51.30 1ug3 n LEU 1516Cb 0.87 -1.43 0.92 0.00 -1.62 0.00 0.00 43.42 42.16 1ug3 n LEU 1516CO 0.43 1.97 1.10 0.00 -1.22 0.00 0.00 177.39 179.67 1ug3 s ASP 1518N -2.03 -0.27 0.28 0.00 1.47 -1.26 -5.03 116.67 109.82 1ug3 s ASP 1518Ca 0.47 -0.48 0.01 0.00 1.18 0.00 0.00 52.55 53.73 1ug3 s ASP 1518Cb 0.22 0.59 0.60 0.00 -0.34 0.00 0.00 42.92 43.99 1ug3 s ASP 1518CO 0.37 -1.07 1.76 -0.08 0.68 0.00 0.00 175.17 176.83 1ug3 h GLU 1519N 2.18 0.63 -0.01 2.11 4.81 -1.99 0.56 114.58 122.87 1ug3 h GLU 1519Ca -0.28 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 58.94 1ug3 h GLU 1519Cb 1.26 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1ug3 h GLU 1519CO 0.36 0.42 -0.15 1.96 -0.73 0.00 0.00 179.01 180.87 1ug3 h GLN 1520N 0.65 -0.24 -0.44 1.92 1.08 -1.99 0.34 115.11 116.43 1ug3 h GLN 1520Ca 0.50 0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.62 1ug3 h GLN 1520Cb 0.74 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.21 1ug3 h GLN 1520CO -0.38 -0.16 -0.12 0.87 -0.95 0.00 0.00 178.83 178.09 1ug3 h LYS 1521N -0.25 0.80 -0.54 1.46 1.57 -1.62 -0.90 116.57 117.10 1ug3 h LYS 1521Ca 0.05 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1ug3 h LYS 1521Cb 0.32 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1ug3 h LYS 1521CO -0.16 0.89 0.32 0.93 -0.57 0.00 0.00 179.45 180.86 1ug3 h GLU 1522N 0.72 0.73 -0.22 3.15 5.08 -0.66 0.13 114.58 123.51 1ug3 h GLU 1522Ca 0.12 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1ug3 h GLU 1522Cb 0.62 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1ug3 h GLU 1522CO 0.04 0.53 0.14 1.25 -1.00 0.00 0.00 179.01 179.97 1ug3 h LEU 1523N 0.72 0.25 -1.16 1.33 6.46 -0.52 0.21 115.31 122.60 1ug3 h LEU 1523Ca 0.19 -0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.98 1ug3 h LEU 1523Cb -0.00 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 39.81 1ug3 h LEU 1523CO -0.04 0.21 0.58 -0.61 -0.62 0.00 0.00 178.44 177.96 1ug3 h GLN 1524N 0.28 1.02 -0.57 1.25 5.75 -0.73 -0.89 115.11 121.22 1ug3 h GLN 1524Ca 0.08 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.45 1ug3 h GLN 1524Cb -0.01 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.29 1ug3 h GLN 1524CO -0.02 0.67 0.10 0.00 -2.65 0.00 0.00 178.83 176.94 1ug3 h ALA 1525N 1.50 0.76 -0.79 3.38 0.00 0.27 -2.16 119.26 122.22 1ug3 h ALA 1525Ca 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ug3 h ALA 1525Cb 0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1ug3 h ALA 1525CO -0.13 0.50 0.51 -0.07 0.00 0.00 0.00 179.25 180.06 1ug3 h LEU 1526N 0.84 0.92 -0.46 0.00 3.38 0.27 -0.19 115.31 120.07 1ug3 h LEU 1526Ca 0.17 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1ug3 h LEU 1526Cb 0.40 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1ug3 h LEU 1526CO 0.01 0.68 0.28 1.88 0.09 0.00 0.00 178.44 181.38 1ug3 h TYR 1527N 1.08 0.52 -0.05 1.13 0.05 -0.93 0.58 116.97 119.34 1ug3 h TYR 1527Ca 0.29 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.09 1ug3 h TYR 1527Cb -0.10 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.46 1ug3 h TYR 1527CO -0.01 0.30 0.02 0.00 -1.05 0.00 0.00 178.16 177.42 1ug3 h ALA 1528N 1.20 0.06 -0.94 3.88 0.00 -0.74 -0.18 119.26 122.54 1ug3 h ALA 1528Ca 0.18 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1ug3 h ALA 1528Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1ug3 h ALA 1528CO -0.08 -0.46 0.60 1.25 0.00 0.00 0.00 179.25 180.57 1ug3 h LEU 1529N 0.05 0.98 -0.06 0.00 5.85 -0.68 -0.91 115.31 120.53 1ug3 h LEU 1529Ca 0.02 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1ug3 h LEU 1529Cb 0.01 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 1ug3 h LEU 1529CO -0.02 0.64 0.04 -0.61 -0.34 0.00 0.00 178.44 178.14 1ug3 h GLN 1530N 1.12 0.09 -0.38 1.25 4.15 -0.20 -0.88 115.11 120.25 1ug3 h GLN 1530Ca 0.40 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.82 1ug3 h GLN 1530Cb 0.12 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 1ug3 h GLN 1530CO -0.16 0.13 0.26 0.00 -1.93 0.00 0.00 178.83 177.12 1ug3 h ALA 1531N 0.96 1.76 0.51 3.38 0.00 -0.46 -0.24 119.26 125.17 1ug3 h ALA 1531Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ug3 h ALA 1531Cb 0.06 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ug3 h ALA 1531CO -0.00 0.22 -0.25 1.25 0.00 0.00 0.00 179.25 180.47 1ug3 h LEU 1532N 0.49 -0.59 -1.77 0.00 6.46 -0.46 -1.95 115.31 117.50 1ug3 h LEU 1532Ca 0.14 -0.04 0.07 0.00 -0.12 0.00 0.00 57.88 57.93 1ug3 h LEU 1532Cb -0.02 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 1ug3 h LEU 1532CO -0.03 -0.31 0.29 0.58 -0.62 0.00 0.00 178.44 178.35 1ug3 h VAL 1533N -0.85 0.93 -0.38 1.05 2.07 -0.69 -0.40 116.25 117.98 1ug3 h VAL 1533Ca -0.07 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1ug3 h VAL 1533Cb 0.59 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1ug3 h VAL 1533CO 0.12 0.05 0.20 0.58 0.02 0.00 0.00 177.57 178.54 1ug3 h VAL 1534N 0.28 1.16 0.00 2.57 2.07 -0.73 -1.67 116.25 119.92 1ug3 h VAL 1534Ca 0.19 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1ug3 h VAL 1534Cb 0.39 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1ug3 h VAL 1534CO -0.04 0.16 0.00 0.71 0.02 0.00 0.00 177.57 178.42 1ug3 h THR 1535N 0.49 0.00 -0.26 2.57 1.35 -0.30 0.13 112.91 116.89 1ug3 h THR 1535Ca 0.13 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1ug3 h THR 1535Cb 0.08 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1ug3 h THR 1535CO -0.02 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.43 1ug3 n LEU 1536N -2.95 1.98 -2.95 3.87 4.77 -0.65 -4.46 117.00 116.61 1ug3 n LEU 1536Ca -0.01 -1.00 -0.13 0.00 -0.03 0.00 0.00 56.01 54.84 1ug3 n LEU 1536Cb 0.15 -0.33 0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1ug3 n LEU 1536CO 0.21 0.38 0.07 -0.62 -1.33 0.00 0.00 177.39 176.10 1ug3 n GLU 1537N 0.29 -4.15 -3.69 3.23 1.02 0.44 -3.84 120.64 113.94 1ug3 n GLU 1537Ca 0.10 0.69 -0.15 0.00 -0.02 0.00 0.00 57.16 57.78 1ug3 n GLU 1537Cb 0.38 -5.15 -0.00 0.00 -0.02 0.00 0.00 31.44 26.64 1ug3 n GLU 1537CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1ug3 n GLN 1538N -3.32 -0.81 -1.21 3.49 1.13 -1.05 -4.82 117.38 110.81 1ug3 n GLN 1538Ca -0.17 -0.24 -0.35 0.00 -1.94 0.00 0.00 57.00 54.30 1ug3 n GLN 1538Cb 0.62 -0.48 0.10 0.00 0.11 0.00 0.00 30.24 30.59 1ug3 n GLN 1538CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1ug3 n PRO 1539N -2.37 0.29 -1.69 -1.09 -0.04 -1.25 -4.78 135.00 124.07 1ug3 n PRO 1539Ca -0.06 0.15 -0.52 0.00 -0.04 0.00 0.00 63.50 63.04 1ug3 n PRO 1539Cb 0.21 -2.15 -0.06 0.00 -0.04 0.00 0.00 33.50 31.46 1ug3 n PRO 1539CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ug3 n PRO 1540N -1.95 1.68 -3.67 0.54 -0.04 -1.26 -3.37 135.00 126.93 1ug3 n PRO 1540Ca 0.12 0.61 -0.29 0.00 -0.04 0.00 0.00 63.50 63.90 1ug3 n PRO 1540Cb 0.50 -2.37 -0.05 0.00 -0.04 0.00 0.00 33.50 31.54 1ug3 n PRO 1540CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1ug3 n ASN 1541N 5.54 -1.39 0.12 3.54 0.23 -1.26 -4.81 115.26 117.22 1ug3 n ASN 1541Ca 0.23 -0.74 -0.19 0.00 -0.53 0.00 0.00 54.58 53.35 1ug3 n ASN 1541Cb 0.22 -1.24 -0.14 0.00 -2.08 0.00 0.00 39.78 36.54 1ug3 n ASN 1541CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1ug3 h LEU 1542N -0.58 0.63 -0.87 -4.53 5.85 -1.93 -3.17 115.31 110.71 1ug3 h LEU 1542Ca -0.40 -0.64 0.04 0.00 0.84 0.00 0.00 57.88 57.71 1ug3 h LEU 1542Cb 1.10 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 1ug3 h LEU 1542CO 0.60 1.49 0.56 0.25 -0.34 0.00 0.00 178.44 181.00 1ug3 h LEU 1543N 0.13 0.92 -1.26 2.25 5.85 -1.87 -0.60 115.31 120.73 1ug3 h LEU 1543Ca -0.18 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 1ug3 h LEU 1543Cb 2.00 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.81 1ug3 h LEU 1543CO 0.23 0.63 -0.00 -0.09 -0.34 0.00 0.00 178.44 178.86 1ug3 h ARG 1544N 1.07 0.49 -0.36 1.25 1.12 -1.96 0.14 114.38 116.14 1ug3 h ARG 1544Ca 0.35 -0.10 -0.10 0.00 -1.11 0.00 0.00 59.98 59.02 1ug3 h ARG 1544Cb 0.02 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 29.89 1ug3 h ARG 1544CO -0.12 0.52 -0.18 0.52 -3.11 0.00 0.00 179.97 177.60 1ug3 h MET 1545N 0.47 0.66 -0.16 0.20 2.86 -1.11 -0.48 114.93 117.38 1ug3 h MET 1545Ca 0.10 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.41 1ug3 h MET 1545Cb 0.32 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1ug3 h MET 1545CO 0.01 0.81 -0.26 0.74 1.06 0.00 0.00 176.91 179.27 1ug3 h PHE 1546N 0.59 0.57 -0.41 -0.22 0.04 -0.48 -2.85 116.94 114.17 1ug3 h PHE 1546Ca 0.09 -0.20 0.08 0.00 2.80 0.00 0.00 57.97 60.75 1ug3 h PHE 1546Cb 0.64 -0.11 -0.08 0.00 2.20 0.00 0.00 35.95 38.61 1ug3 h PHE 1546CO 0.03 0.89 -0.07 0.74 -0.60 0.00 0.00 178.31 179.30 1ug3 h PHE 1547N 0.09 -0.16 0.06 -0.55 -1.00 -0.38 0.89 116.94 115.90 1ug3 h PHE 1547Ca 0.01 0.04 0.02 0.00 2.81 0.00 0.00 57.97 60.84 1ug3 h PHE 1547Cb 0.84 0.13 -0.02 0.00 3.61 0.00 0.00 35.95 40.50 1ug3 h PHE 1547CO 0.09 -0.15 -0.15 -0.44 -1.61 0.00 0.00 178.31 176.05 1ug3 h ASP 1548N 0.03 -0.42 -0.56 2.17 3.32 -1.11 0.18 116.42 120.03 1ug3 h ASP 1548Ca 0.20 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1ug3 h ASP 1548Cb 0.30 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 1ug3 h ASP 1548CO -0.40 -0.22 0.36 0.00 -1.72 0.00 0.00 179.24 177.27 1ug3 h ALA 1549N 0.61 0.71 -0.74 3.45 0.00 -1.21 0.26 119.26 122.35 1ug3 h ALA 1549Ca 0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ug3 h ALA 1549Cb 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1ug3 h ALA 1549CO -0.10 0.16 0.36 -0.07 0.00 0.00 0.00 179.25 179.60 1ug3 h LEU 1550N 0.76 0.96 -0.32 0.00 3.38 -0.51 0.20 115.31 119.77 1ug3 h LEU 1550Ca 0.20 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1ug3 h LEU 1550Cb -0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1ug3 h LEU 1550CO -0.04 0.81 -0.10 0.22 0.09 0.00 0.00 178.44 179.42 1ug3 h TYR 1551N 1.03 0.72 -0.49 1.13 3.20 -0.28 -0.44 116.97 121.84 1ug3 h TYR 1551Ca 0.25 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1ug3 h TYR 1551Cb 0.11 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 1ug3 h TYR 1551CO 0.01 0.82 0.28 -0.44 -1.64 0.00 0.00 178.16 177.19 1ug3 h ASP 1552N 0.41 0.59 -0.08 -2.11 3.32 0.11 -1.84 116.42 116.82 1ug3 h ASP 1552Ca 0.08 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1ug3 h ASP 1552Cb 0.60 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1ug3 h ASP 1552CO 0.04 0.48 0.00 -0.62 -1.72 0.00 0.00 179.24 177.41 1ug3 n GLU 1553N -4.42 1.53 -1.84 3.56 -0.58 0.64 -4.90 120.64 114.63 1ug3 n GLU 1553Ca 0.04 -0.78 -0.12 0.00 -0.42 0.00 0.00 57.16 55.88 1ug3 n GLU 1553Cb 0.09 -1.41 -0.02 0.00 -0.57 0.00 0.00 31.44 29.52 1ug3 n GLU 1553CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1ug3 n ASP 1554N -0.02 -4.04 0.07 1.62 -0.08 -0.69 -4.90 116.55 108.52 1ug3 n ASP 1554Ca 0.17 0.12 -0.23 0.00 -1.51 0.00 0.00 54.79 53.34 1ug3 n ASP 1554Cb 0.27 -2.96 -0.15 0.00 2.34 0.00 0.00 41.12 40.63 1ug3 n ASP 1554CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1ug3 h VAL 1555N 0.00 0.99 -3.17 5.18 2.07 -1.31 -3.45 116.25 116.56 1ug3 h VAL 1555Ca -0.26 -2.51 -0.61 0.00 0.82 0.00 0.00 66.70 64.15 1ug3 h VAL 1555Cb 1.01 2.79 -0.35 0.00 -1.52 0.00 0.00 31.29 33.22 1ug3 h VAL 1555CO 0.34 0.83 -0.84 -0.69 0.02 0.00 0.00 177.57 177.23 1ug3 s VAL 1556N -2.56 1.61 0.58 2.57 1.01 -1.15 -4.85 120.40 117.60 1ug3 s VAL 1556Ca -0.16 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 1ug3 s VAL 1556Cb 0.05 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1ug3 s VAL 1556CO 0.85 0.46 0.88 -0.54 0.00 0.00 0.00 175.10 176.75 1ug3 s LYS 1557N 1.27 2.99 0.25 2.72 3.01 -1.26 -4.28 119.74 124.44 1ug3 s LYS 1557Ca 0.00 -0.00 -0.05 0.00 -1.01 0.00 0.00 55.97 54.92 1ug3 s LYS 1557Cb -0.14 -2.29 0.48 0.00 -1.01 0.00 0.00 37.83 34.88 1ug3 s LYS 1557CO -0.07 -0.64 1.68 0.93 0.51 0.00 0.00 175.35 177.75 1ug3 h GLU 1558N -0.12 0.24 -0.89 1.68 5.08 -1.99 -2.06 114.58 116.51 1ug3 h GLU 1558Ca -0.46 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1ug3 h GLU 1558Cb 1.25 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1ug3 h GLU 1558CO 0.61 0.16 0.56 -0.44 -1.00 0.00 0.00 179.01 178.89 1ug3 h ASP 1559N 0.24 1.05 -0.59 1.42 5.19 -1.99 0.11 116.42 121.86 1ug3 h ASP 1559Ca 0.43 -0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.75 1ug3 h ASP 1559Cb 0.75 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.97 1ug3 h ASP 1559CO -0.54 0.79 0.25 0.00 -3.12 0.00 0.00 179.24 176.62 1ug3 h ALA 1560N 1.30 1.27 -0.45 3.45 0.00 -1.70 0.18 119.26 123.31 1ug3 h ALA 1560Ca 0.32 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1ug3 h ALA 1560Cb -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1ug3 h ALA 1560CO -0.06 0.54 -0.01 0.74 0.00 0.00 0.00 179.25 180.46 1ug3 h PHE 1561N 0.90 0.87 0.14 0.00 0.04 -1.00 -0.06 116.94 117.83 1ug3 h PHE 1561Ca 0.21 -0.15 0.01 0.00 2.80 0.00 0.00 57.97 60.84 1ug3 h PHE 1561Cb 0.17 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 1ug3 h PHE 1561CO 0.01 0.85 -0.22 -0.92 -0.60 0.00 0.00 178.31 177.42 1ug3 h TYR 1562N 0.64 -0.60 -0.81 -0.55 5.03 -0.03 -1.95 116.97 118.71 1ug3 h TYR 1562Ca 0.13 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.46 1ug3 h TYR 1562Cb 0.50 0.24 -0.04 0.00 1.55 0.00 0.00 36.73 38.99 1ug3 h TYR 1562CO 0.04 -0.32 0.54 0.77 -1.32 0.00 0.00 178.16 177.86 1ug3 h SER 1563N -0.43 0.92 -0.83 -2.11 0.02 -0.86 -1.89 113.55 108.36 1ug3 h SER 1563Ca 0.02 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ug3 h SER 1563Cb 0.44 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 1ug3 h SER 1563CO -0.11 0.66 0.52 -0.25 -1.14 0.00 0.00 176.83 176.51 1ug3 h TRP 1564N 1.09 1.08 -0.39 3.45 7.01 -0.51 -1.81 115.95 125.86 1ug3 h TRP 1564Ca 0.30 0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.42 1ug3 h TRP 1564Cb -0.10 -0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 26.59 1ug3 h TRP 1564CO -0.00 0.70 0.51 0.93 -2.79 0.00 0.00 178.44 177.79 1ug3 h GLU 1565N 1.14 0.00 0.00 2.65 4.39 -0.58 -3.51 114.58 118.66 1ug3 h GLU 1565Ca 0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.00 1ug3 h GLU 1565Cb -0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1ug3 h GLU 1565CO -0.06 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.22