#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 0.10 -0.67 4.33 1.79 -2.05 -1.11 116.57 118.96 1ug3 h LYS 1235Ca 0.00 -0.01 0.02 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 30.60 1ug3 h LYS 1235CO 0.00 0.19 0.44 0.00 -1.08 0.00 0.00 179.45 179.00 1ug3 h ALA 1236N 0.90 1.58 0.21 3.86 0.00 -2.06 0.24 119.26 124.00 1ug3 h ALA 1236Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ug3 h ALA 1236Cb 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ug3 h ALA 1236CO -0.00 0.37 -0.10 0.00 0.00 0.00 0.00 179.25 179.51 1ug3 h ALA 1237N 1.60 -0.28 -0.70 0.00 0.00 -1.91 -2.16 119.26 115.81 1ug3 h ALA 1237Ca 0.26 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1ug3 h ALA 1237Cb -0.01 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1ug3 h ALA 1237CO -0.07 -0.54 0.31 -0.07 0.00 0.00 0.00 179.25 178.89 1ug3 h LEU 1238N -0.53 0.91 -0.51 0.00 4.07 -0.88 -1.93 115.31 116.44 1ug3 h LEU 1238Ca -0.03 -0.11 0.09 0.00 0.08 0.00 0.00 57.88 57.91 1ug3 h LEU 1238Cb 0.39 -0.23 -0.07 0.00 1.08 0.00 0.00 40.66 41.83 1ug3 h LEU 1238CO 0.05 0.79 0.11 -1.28 -1.08 0.00 0.00 178.44 177.03 1ug3 h SER 1239N 0.99 0.02 -0.25 -0.43 0.87 -0.34 0.88 113.55 115.29 1ug3 h SER 1239Ca 0.24 0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.79 1ug3 h SER 1239Cb 0.13 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1ug3 h SER 1239CO -0.03 0.04 -0.18 -0.33 -0.53 0.00 0.00 176.83 175.80 1ug3 h GLU 1240N 0.25 0.70 0.09 2.24 5.08 -0.91 -1.37 114.58 120.66 1ug3 h GLU 1240Ca 0.26 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ug3 h GLU 1240Cb 0.34 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1ug3 h GLU 1240CO -0.33 0.83 -0.04 0.93 -1.00 0.00 0.00 179.01 179.40 1ug3 h GLU 1241N 0.62 -0.11 -0.72 2.33 5.08 -0.24 -1.85 114.58 119.69 1ug3 h GLU 1241Ca 0.10 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1ug3 h GLU 1241Cb 0.65 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 1ug3 h GLU 1241CO 0.05 0.11 0.47 1.49 -1.00 0.00 0.00 179.01 180.12 1ug3 h GLU 1242N -0.32 0.92 -0.63 2.33 4.57 0.76 -0.91 114.58 121.30 1ug3 h GLU 1242Ca -0.01 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1ug3 h GLU 1242Cb 0.27 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 1ug3 h GLU 1242CO 0.02 0.61 0.30 1.25 -1.18 0.00 0.00 179.01 180.01 1ug3 h LEU 1243N 0.95 0.82 -0.65 1.64 6.46 -1.17 0.01 115.31 123.36 1ug3 h LEU 1243Ca 0.27 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1ug3 h LEU 1243Cb -0.08 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 39.61 1ug3 h LEU 1243CO -0.07 0.73 0.33 -0.08 -0.62 0.00 0.00 178.44 178.73 1ug3 h GLU 1244N 0.86 0.93 -0.35 1.25 4.81 -0.92 0.16 114.58 121.31 1ug3 h GLU 1244Ca 0.21 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1ug3 h GLU 1244Cb 0.13 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1ug3 h GLU 1244CO -0.03 0.72 0.10 -0.22 -0.73 0.00 0.00 179.01 178.86 1ug3 h LYS 1245N 0.90 0.23 -0.13 1.92 3.64 -0.43 0.33 116.57 123.03 1ug3 h LYS 1245Ca 0.23 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1ug3 h LYS 1245Cb 0.08 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1ug3 h LYS 1245CO -0.03 0.15 -0.45 0.87 -2.27 0.00 0.00 179.45 177.72 1ug3 h LYS 1246N 0.24 0.32 -0.66 1.90 1.57 -0.60 -1.81 116.57 117.54 1ug3 h LYS 1246Ca 0.16 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1ug3 h LYS 1246Cb 0.16 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1ug3 h LYS 1246CO -0.18 0.72 0.30 0.77 -0.57 0.00 0.00 179.45 180.48 1ug3 h SER 1247N 0.26 0.88 0.09 0.86 0.02 -0.05 -0.15 113.55 115.46 1ug3 h SER 1247Ca 0.02 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1ug3 h SER 1247Cb 0.90 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1ug3 h SER 1247CO 0.07 0.78 -0.04 0.50 -1.14 0.00 0.00 176.83 177.00 1ug3 h LYS 1248N 0.92 -0.12 0.14 3.45 3.64 -0.57 0.30 116.57 124.33 1ug3 h LYS 1248Ca 0.22 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1ug3 h LYS 1248Cb 0.15 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1ug3 h LYS 1248CO -0.03 -0.05 -0.23 0.00 -2.27 0.00 0.00 179.45 176.87 1ug3 h ALA 1249N 0.74 -0.41 -0.15 5.00 0.00 -1.10 0.14 119.26 123.49 1ug3 h ALA 1249Ca -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ug3 h ALA 1249Cb 0.13 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1ug3 h ALA 1249CO 0.02 -0.77 -0.07 0.82 0.00 0.00 0.00 179.25 179.25 1ug3 h ILE 1250N -0.44 0.78 -0.65 0.00 2.04 -0.88 -1.72 117.51 116.64 1ug3 h ILE 1250Ca 0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1ug3 h ILE 1250Cb 0.46 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1ug3 h ILE 1250CO -0.12 0.00 0.39 0.40 0.00 0.00 0.00 178.15 178.82 1ug3 h ILE 1251N -0.05 1.19 -0.26 -0.67 2.04 -0.16 -1.42 117.51 118.18 1ug3 h ILE 1251Ca 0.08 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1ug3 h ILE 1251Cb 0.17 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1ug3 h ILE 1251CO -0.18 0.20 0.16 -0.33 0.00 0.00 0.00 178.15 178.00 1ug3 h GLU 1252N 0.88 0.34 -0.83 2.37 4.39 -0.41 -1.33 114.58 119.99 1ug3 h GLU 1252Ca 0.23 -0.03 -0.04 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 28.52 1ug3 h GLU 1252CO -0.04 0.25 0.37 0.93 -1.16 0.00 0.00 179.01 179.36 1ug3 h GLU 1253N 0.33 1.21 -0.15 2.33 5.08 -1.13 -2.06 114.58 120.19 1ug3 h GLU 1253Ca 0.09 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1ug3 h GLU 1253Cb -0.01 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1ug3 h GLU 1253CO -0.02 0.95 0.07 -0.92 -1.00 0.00 0.00 179.01 178.09 1ug3 h TYR 1254N 1.19 0.22 0.00 4.33 3.20 -0.95 0.32 116.97 125.28 1ug3 h TYR 1254Ca 0.28 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 1ug3 h TYR 1254Cb 0.16 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 1ug3 h TYR 1254CO 0.02 0.25 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.60 1ug3 h LEU 1255N 0.12 0.00 0.00 2.82 3.38 -1.10 0.77 115.31 121.30 1ug3 h LEU 1255Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1ug3 h LEU 1255Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ug3 h LEU 1255CO -0.01 0.12 -0.22 -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 -0.85 -3.40 115.15 114.79 1ug3 h HIS 1256Ca -0.00 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.03 1ug3 h HIS 1256Cb 0.35 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 1ug3 h HIS 1256CO 0.00 0.70 -1.43 1.28 -1.30 0.00 0.00 177.93 177.18 1ug3 n LEU 1257N -4.64 0.75 -1.28 0.26 4.77 0.11 -4.99 117.00 111.99 1ug3 n LEU 1257Ca -0.10 0.32 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 1ug3 n LEU 1257Cb 0.35 0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 1ug3 n LEU 1257CO 0.20 0.09 -0.15 0.59 -1.33 0.00 0.00 177.39 176.79 1ug3 n ASN 1258N -2.80 -4.52 -4.47 -1.43 3.02 0.27 -4.94 115.26 100.39 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 0.78 -3.43 -0.03 0.00 -0.61 0.00 0.00 39.78 36.50 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 -2.66 6.45 0.13 6.41 -1.08 -1.26 -4.88 116.67 119.77 1ug3 s ASP 1259Ca 0.00 -1.56 -0.19 0.00 -0.52 0.00 0.00 52.55 50.27 1ug3 s ASP 1259Cb 0.00 -2.44 -0.03 0.00 -1.46 0.00 0.00 42.92 38.99 1ug3 s ASP 1259CO 0.00 -1.28 1.73 -0.03 0.52 0.00 0.00 175.17 176.11 1ug3 h MET 1260N 9.26 0.09 -0.79 4.34 1.85 -1.92 -2.18 114.93 125.57 1ug3 h MET 1260Ca 0.01 -0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.10 1ug3 h MET 1260Cb 1.04 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 33.01 1ug3 h MET 1260CO 1.19 0.06 0.52 0.87 -0.40 0.00 0.00 176.91 179.14 1ug3 h LYS 1261N 0.09 1.05 -0.41 0.39 1.57 -1.99 -0.20 116.57 117.07 1ug3 h LYS 1261Ca 0.10 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1ug3 h LYS 1261Cb 0.11 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1ug3 h LYS 1261CO -0.15 0.70 -0.17 1.49 -0.57 0.00 0.00 179.45 180.75 1ug3 h GLU 1262N 1.08 0.84 -0.21 3.15 4.57 -1.90 -2.13 114.58 119.97 1ug3 h GLU 1262Ca 0.29 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1ug3 h GLU 1262Cb -0.11 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 1ug3 h GLU 1262CO -0.06 0.99 0.10 0.00 -1.18 0.00 0.00 179.01 178.85 1ug3 h ALA 1263N 0.83 0.27 -0.24 2.92 0.00 -0.83 -0.64 119.26 121.56 1ug3 h ALA 1263Ca 0.09 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ug3 h ALA 1263Cb 0.72 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1ug3 h ALA 1263CO 0.05 -0.15 -0.03 0.28 0.00 0.00 0.00 179.25 179.40 1ug3 h VAL 1264N 0.21 0.80 -0.40 0.00 2.07 -1.00 -1.10 116.25 116.82 1ug3 h VAL 1264Ca 0.07 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1ug3 h VAL 1264Cb 0.14 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1ug3 h VAL 1264CO -0.01 0.01 0.23 -0.61 0.02 0.00 0.00 177.57 177.21 1ug3 h GLN 1265N 0.04 0.56 -0.99 1.57 4.15 -1.24 -0.97 115.11 118.23 1ug3 h GLN 1265Ca 0.12 -0.06 0.09 0.00 0.77 0.00 0.00 58.65 59.57 1ug3 h GLN 1265Cb 0.16 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 27.66 1ug3 h GLN 1265CO -0.22 0.44 0.63 0.00 -1.93 0.00 0.00 178.83 177.75 1ug3 h VAL 1267N 1.07 1.26 -0.75 0.00 2.07 -0.60 -2.43 116.25 116.87 1ug3 h VAL 1267Ca 0.46 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1ug3 h VAL 1267Cb 0.33 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1ug3 h VAL 1267CO -0.22 0.38 0.35 -0.61 0.02 0.00 0.00 177.57 177.49 1ug3 h GLN 1268N 0.89 1.07 0.00 1.57 4.15 0.29 -1.69 115.11 121.40 1ug3 h GLN 1268Ca 0.18 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1ug3 h GLN 1268Cb 0.46 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1ug3 h GLN 1268CO 0.02 0.83 0.00 0.39 -1.93 0.00 0.00 178.83 178.14 1ug3 n GLU 1269N -4.32 0.01 0.10 1.69 1.02 0.90 -1.39 120.64 118.66 1ug3 n GLU 1269Ca 0.07 0.29 -0.05 0.00 -0.02 0.00 0.00 57.16 57.45 1ug3 n GLU 1269Cb 0.14 -1.52 0.06 0.00 -0.02 0.00 0.00 31.44 30.10 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 0.11 -2.44 -4.62 3.38 -1.08 -3.47 115.31 107.19 1ug3 h LEU 1270Ca 0.00 -0.08 -0.51 0.00 0.09 0.00 0.00 57.88 57.38 1ug3 h LEU 1270Cb 0.23 -0.03 -0.04 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 0.00 178.44 178.43 1ug3 n ALA 1271N -2.43 -2.20 -3.15 1.53 0.00 -0.49 -4.90 120.51 108.87 1ug3 n ALA 1271Ca -0.02 -0.32 -0.18 0.00 0.00 0.00 0.00 53.44 52.93 1ug3 n ALA 1271Cb 0.73 -2.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.04 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 -2.81 0.55 -0.26 0.00 7.64 -1.26 -4.98 113.62 112.50 1ug3 n SER 1272Ca -0.24 -3.05 0.18 0.00 1.01 0.00 0.00 58.87 56.77 1ug3 n SER 1272Cb 0.65 -0.42 0.48 0.00 -1.01 0.00 0.00 64.21 63.91 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 3.05 0.46 -0.00 1.43 0.11 -1.90 -1.17 132.00 133.97 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 31.98 1ug3 h PRO 1273CO 0.47 0.30 -0.01 0.43 -0.21 0.00 0.00 178.00 178.98 1ug3 n SER 1274N -4.54 0.38 0.00 -2.05 7.64 -1.26 -3.41 113.62 110.38 1ug3 n SER 1274Ca 0.19 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 59.05 1ug3 n SER 1274Cb 0.66 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 -0.75 1.53 0.04 -3.43 4.77 -0.46 -4.69 117.00 114.01 1ug3 n LEU 1275Ca 0.21 -1.53 0.07 0.00 -0.03 0.00 0.00 56.01 54.73 1ug3 n LEU 1275Cb 0.19 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.60 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 -0.32 0.18 0.14 2.23 4.77 -1.11 -1.64 117.00 121.26 1ug3 n LEU 1276Ca 0.00 0.55 0.07 0.00 -0.03 0.00 0.00 56.01 56.60 1ug3 n LEU 1276Cb 0.21 -0.53 0.55 0.00 -2.33 0.00 0.00 43.42 41.31 1ug3 n LEU 1276CO 0.00 -0.39 1.11 2.19 -1.33 0.00 0.00 177.39 178.97 1ug3 h PHE 1277N 0.00 0.22 -0.34 -1.77 -0.00 -1.84 -0.54 116.94 112.66 1ug3 h PHE 1277Ca 0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 57.97 57.94 1ug3 h PHE 1277Cb 0.23 -0.07 -0.01 0.00 -0.00 0.00 0.00 35.95 36.09 1ug3 h PHE 1277CO 0.00 0.13 0.07 0.82 -0.00 0.00 0.00 178.31 179.33 1ug3 h ILE 1278N 0.23 1.23 0.08 0.88 2.04 -1.66 0.16 117.51 120.48 1ug3 h ILE 1278Ca 0.07 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.15 1ug3 h ILE 1278Cb 0.01 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1ug3 h ILE 1278CO -0.02 0.27 -0.11 0.15 0.00 0.00 0.00 178.15 178.44 1ug3 h PHE 1279N 0.40 -0.29 -0.02 1.37 3.57 -1.29 0.64 116.94 121.32 1ug3 h PHE 1279Ca 0.11 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.64 1ug3 h PHE 1279Cb 0.33 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 1ug3 h PHE 1279CO 0.02 -0.17 -0.18 0.28 -2.23 0.00 0.00 178.31 176.03 1ug3 h VAL 1280N -0.23 0.56 -0.36 1.41 2.07 -0.92 0.53 116.25 119.30 1ug3 h VAL 1280Ca 0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.60 1ug3 h VAL 1280Cb 0.24 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1ug3 h VAL 1280CO -0.06 0.00 -0.03 -0.09 0.02 0.00 0.00 177.57 177.42 1ug3 h ARG 1281N -0.29 0.07 -0.40 1.57 2.43 -0.44 -0.71 114.38 116.60 1ug3 h ARG 1281Ca 0.06 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1ug3 h ARG 1281Cb 0.37 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1ug3 h ARG 1281CO -0.18 0.04 0.22 1.25 -1.51 0.00 0.00 179.97 179.79 1ug3 h HIS 1282N 0.07 0.56 -0.70 2.20 2.76 -0.46 -0.66 115.15 118.92 1ug3 h HIS 1282Ca 0.18 -0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.41 1ug3 h HIS 1282Cb 0.26 -0.18 -0.06 0.00 1.55 0.00 0.00 27.41 28.97 1ug3 h HIS 1282CO -0.28 0.44 0.38 0.78 -1.30 0.00 0.00 177.93 177.95 1ug3 h GLY 1283N 0.52 1.05 0.72 5.26 0.00 -0.24 0.56 103.07 110.94 1ug3 h GLY 1283Ca 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1ug3 h GLY 1283CO -0.02 0.12 -0.03 -2.08 0.00 0.00 0.00 176.54 174.52 1ug3 h VAL 1284N 0.67 1.11 -0.08 4.60 2.07 -0.83 -2.80 116.25 121.00 1ug3 h VAL 1284Ca 0.33 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.25 1ug3 h VAL 1284Cb 0.27 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1ug3 h VAL 1284CO -0.22 0.16 -0.10 -0.33 0.02 0.00 0.00 177.57 177.09 1ug3 h GLU 1285N -0.37 -0.14 0.00 1.57 5.08 -0.80 -0.18 114.58 119.75 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 0.33 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ug3 h GLU 1285CO 0.02 -0.09 0.00 0.66 -1.00 0.00 0.00 179.01 178.59 1ug3 h SER 1286N -0.14 0.00 0.00 1.42 4.64 -0.94 -3.22 113.55 115.31 1ug3 h SER 1286Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1ug3 h SER 1286Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1ug3 h SER 1286CO -0.16 0.00 -0.85 0.35 -0.87 0.00 0.00 176.83 175.30 1ug3 n THR 1287N -3.02 0.00 -0.31 2.95 -2.24 -1.06 -4.52 114.28 106.08 1ug3 n THR 1287Ca -0.00 -0.25 0.17 0.00 -2.27 0.00 0.00 64.05 61.70 1ug3 n THR 1287Cb 0.25 0.73 0.35 0.00 -2.10 0.00 0.00 70.33 69.56 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 0.02 -3.08 3.22 5.85 -1.04 -1.00 115.31 119.28 1ug3 h LEU 1288Ca 0.00 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1ug3 h LEU 1288Cb 0.33 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1ug3 h LEU 1288CO 0.00 -0.22 -0.05 -0.62 -0.34 0.00 0.00 178.44 177.21 1ug3 n GLU 1289N -5.25 1.73 -0.01 1.25 1.02 -1.26 -4.79 120.64 113.34 1ug3 n GLU 1289Ca 0.25 -2.74 -0.00 0.00 -0.02 0.00 0.00 57.16 54.65 1ug3 n GLU 1289Cb 0.81 -1.61 -0.00 0.00 -0.02 0.00 0.00 31.44 30.61 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 0.57 0.00 -1.73 3.49 2.43 -1.41 -3.50 114.38 114.23 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 1.14 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 30.53 1ug3 h ARG 1290CO 0.07 0.00 0.71 -1.54 -1.51 0.00 0.00 179.97 177.71 1ug3 s SER 1291N -3.30 -0.18 0.14 -3.80 1.04 -1.25 -4.99 113.70 101.36 1ug3 s SER 1291Ca -0.00 -0.05 -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 1.74 0.00 0.98 0.00 0.00 173.24 175.58 1ug3 h ALA 1292N 2.00 0.54 -0.66 5.32 0.00 -1.96 -1.65 119.26 122.85 1ug3 h ALA 1292Ca -0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1ug3 h ALA 1292Cb 1.19 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1ug3 h ALA 1292CO 0.26 0.08 0.30 0.97 0.00 0.00 0.00 179.25 180.86 1ug3 h ILE 1293N 0.55 1.22 -0.44 0.00 6.09 -1.99 -0.41 117.51 122.52 1ug3 h ILE 1293Ca 0.15 -0.63 -0.07 0.00 -1.37 0.00 0.00 64.86 62.94 1ug3 h ILE 1293Cb 0.08 0.38 -0.02 0.00 0.47 0.00 0.00 36.82 37.74 1ug3 h ILE 1293CO -0.02 0.26 0.02 0.00 -3.07 0.00 0.00 178.15 175.34 1ug3 h ALA 1294N 1.39 0.59 -0.85 0.18 0.00 -1.85 -0.47 119.26 118.25 1ug3 h ALA 1294Ca 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ug3 h ALA 1294Cb 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1ug3 h ALA 1294CO -0.03 0.37 0.42 0.00 0.00 0.00 0.00 179.25 180.01 1ug3 h ARG 1295N 0.61 1.22 0.66 0.00 3.08 -0.84 0.26 114.38 119.38 1ug3 h ARG 1295Ca 0.13 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1ug3 h ARG 1295Cb 0.46 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.30 1ug3 h ARG 1295CO 0.02 0.93 -0.32 1.49 -1.07 0.00 0.00 179.97 181.02 1ug3 h GLU 1296N 1.21 -0.86 -0.80 0.04 4.57 -0.79 0.18 114.58 118.13 1ug3 h GLU 1296Ca 0.29 0.06 0.09 0.00 -1.18 0.00 0.00 59.36 58.63 1ug3 h GLU 1296Cb 0.10 0.20 -0.07 0.00 -0.16 0.00 0.00 28.75 28.81 1ug3 h GLU 1296CO -0.04 -0.57 0.45 0.45 -1.18 0.00 0.00 179.01 178.12 1ug3 h HIS 1297N -0.91 0.81 -0.60 0.92 3.86 -0.90 0.03 115.15 118.36 1ug3 h HIS 1297Ca -0.09 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.10 1ug3 h HIS 1297Cb 0.69 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.89 1ug3 h HIS 1297CO -0.02 0.33 0.18 1.98 0.86 0.00 0.00 177.93 181.26 1ug3 h MET 1298N 0.76 0.94 -0.53 2.45 1.85 -0.77 -1.68 114.93 117.95 1ug3 h MET 1298Ca 0.39 -0.21 -0.02 0.00 -0.61 0.00 0.00 59.70 59.25 1ug3 h MET 1298Cb 0.36 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.23 1ug3 h MET 1298CO -0.25 0.84 0.26 0.78 -0.40 0.00 0.00 176.91 178.15 1ug3 h GLY 1299N 0.86 0.82 1.01 1.39 0.00 0.12 -2.16 103.07 105.11 1ug3 h GLY 1299Ca 0.19 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1ug3 h GLY 1299CO -0.00 0.38 0.51 1.46 0.00 0.00 0.00 176.54 178.89 1ug3 h GLN 1300N 0.72 1.09 -0.43 4.80 1.08 -0.80 -1.63 115.11 119.94 1ug3 h GLN 1300Ca 0.18 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 1ug3 h GLN 1300Cb 0.11 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 1ug3 h GLN 1300CO -0.02 0.75 0.22 1.25 -0.95 0.00 0.00 178.83 180.07 1ug3 h LEU 1301N 1.11 0.55 -0.75 1.46 5.85 -1.01 -0.62 115.31 121.91 1ug3 h LEU 1301Ca 0.30 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1ug3 h LEU 1301Cb -0.08 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1ug3 h LEU 1301CO -0.06 0.51 0.45 -0.07 -0.34 0.00 0.00 178.44 178.93 1ug3 h LEU 1302N 0.56 0.90 -0.63 2.25 3.38 -1.03 0.62 115.31 121.35 1ug3 h LEU 1302Ca 0.15 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1ug3 h LEU 1302Cb 0.09 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1ug3 h LEU 1302CO -0.02 0.69 0.40 -0.74 0.09 0.00 0.00 178.44 178.86 1ug3 h HIS 1303N 1.02 0.76 0.03 1.13 2.76 -0.94 0.12 115.15 120.03 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 -0.04 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.67 1ug3 h HIS 1303CO -0.01 0.45 -0.01 1.96 -1.30 0.00 0.00 177.93 179.02 1ug3 h GLN 1304N 0.81 -0.04 -0.88 5.26 1.08 -0.32 0.20 115.11 121.22 1ug3 h GLN 1304Ca 0.24 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.51 1ug3 h GLN 1304Cb -0.03 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.34 1ug3 h GLN 1304CO -0.08 -0.02 0.54 -0.07 -0.95 0.00 0.00 178.83 178.26 1ug3 h LEU 1305N -0.05 0.84 0.21 1.46 3.38 -0.51 0.19 115.31 120.83 1ug3 h LEU 1305Ca -0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ug3 h LEU 1305Cb 0.04 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1ug3 h LEU 1305CO 0.01 0.53 -0.10 0.25 0.09 0.00 0.00 178.44 179.21 1ug3 h LEU 1306N 0.97 -0.24 -1.17 1.67 5.85 -0.37 -1.26 115.31 120.76 1ug3 h LEU 1306Ca 0.39 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 59.07 1ug3 h LEU 1306Cb 0.21 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 1ug3 h LEU 1306CO -0.19 -0.03 0.58 0.00 -0.34 0.00 0.00 178.44 178.46 1ug3 n ALA 1308N -2.40 2.09 -0.92 0.00 0.00 0.60 -4.88 120.51 115.00 1ug3 n ALA 1308Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ug3 n ALA 1308Cb 0.21 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 0.75 0.53 0.09 0.00 0.00 -0.27 -4.92 105.19 101.36 1ug3 n GLY 1309Ca 0.08 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 0.14 -3.51 1.61 3.86 -1.46 -3.44 115.15 112.35 1ug3 h HIS 1310Ca 0.00 -0.10 -0.65 0.00 -1.16 0.00 0.00 60.37 58.46 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 1.13 -0.68 -1.17 0.86 0.00 0.00 177.93 178.08 1ug3 s LEU 1311N -6.54 3.15 0.46 2.43 2.96 -0.75 -4.77 118.68 115.63 1ug3 s LEU 1311Ca -0.05 -0.30 -0.17 0.00 -0.22 0.00 0.00 54.13 53.39 1ug3 s LEU 1311Cb 0.08 -1.82 -0.09 0.00 0.50 0.00 0.00 46.19 44.86 1ug3 s LEU 1311CO 0.83 -0.02 0.93 -0.94 -1.32 0.00 0.00 176.35 175.83 1ug3 s SER 1312N 1.51 6.73 0.17 3.68 1.04 -1.26 -4.16 113.70 121.42 1ug3 s SER 1312Ca 0.06 1.54 -0.16 0.00 0.48 0.00 0.00 55.95 57.87 1ug3 s SER 1312Cb -0.15 -2.49 0.12 0.00 0.10 0.00 0.00 66.02 63.60 1ug3 s SER 1312CO 0.00 -0.46 1.67 0.74 0.98 0.00 0.00 173.24 176.16 1ug3 h THR 1313N 1.35 0.58 -0.43 2.02 2.02 -1.98 -0.16 112.91 116.31 1ug3 h THR 1313Ca -0.48 -0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.76 1ug3 h THR 1313Cb 1.18 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 68.11 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 1.42 0.48 -0.49 6.16 0.00 -1.99 -0.39 119.26 124.45 1ug3 h ALA 1314Ca 0.21 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1ug3 h ALA 1314Cb 0.32 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ug3 h ALA 1314CO -0.43 -0.29 0.03 1.96 0.00 0.00 0.00 179.25 180.52 1ug3 h GLN 1315N 0.25 0.79 0.13 0.00 1.08 -1.73 -0.30 115.11 115.33 1ug3 h GLN 1315Ca 0.20 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1ug3 h GLN 1315Cb 0.24 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1ug3 h GLN 1315CO -0.25 0.77 -0.09 -0.92 -0.95 0.00 0.00 178.83 177.39 1ug3 h TYR 1316N 0.74 -0.23 -0.67 2.96 3.20 -0.13 -1.70 116.97 121.15 1ug3 h TYR 1316Ca 0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1ug3 h TYR 1316Cb 0.41 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 1ug3 h TYR 1316CO 0.02 -0.14 0.43 1.88 -1.64 0.00 0.00 178.16 178.71 1ug3 h TYR 1317N -0.22 0.85 -0.54 -3.82 0.05 -0.78 -2.10 116.97 110.40 1ug3 h TYR 1317Ca -0.01 0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.85 1ug3 h TYR 1317Cb 0.19 -0.28 -0.06 0.00 1.01 0.00 0.00 36.73 37.59 1ug3 h TYR 1317CO -0.09 0.54 0.22 0.37 -1.05 0.00 0.00 178.16 178.15 1ug3 h GLN 1318N 0.90 0.41 -0.45 4.88 4.15 -0.70 0.16 115.11 124.46 1ug3 h GLN 1318Ca 0.24 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.60 1ug3 h GLN 1318Cb -0.09 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 1ug3 h GLN 1318CO -0.05 0.27 0.14 0.78 -1.93 0.00 0.00 178.83 178.04 1ug3 h GLY 1319N 0.42 0.74 0.84 2.39 0.00 -1.00 -2.95 103.07 103.51 1ug3 h GLY 1319Ca 0.26 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1ug3 h GLY 1319CO -0.24 0.41 0.03 1.41 0.00 0.00 0.00 176.54 178.15 1ug3 h LEU 1320N 0.58 0.32 -1.00 3.11 3.38 -0.91 -3.03 115.31 117.75 1ug3 h LEU 1320Ca 0.14 -0.26 0.20 0.00 0.09 0.00 0.00 57.88 58.06 1ug3 h LEU 1320Cb 0.26 -0.08 -0.11 0.00 0.09 0.00 0.00 40.66 40.81 1ug3 h LEU 1320CO -0.01 0.50 0.61 1.88 0.09 0.00 0.00 178.44 181.51 1ug3 h TYR 1321N 0.12 1.06 -0.66 1.13 0.05 -0.66 0.31 116.97 118.33 1ug3 h TYR 1321Ca 0.06 0.03 0.13 0.00 0.05 0.00 0.00 58.73 59.01 1ug3 h TYR 1321Cb 0.32 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 1ug3 h TYR 1321CO 0.02 0.20 0.45 1.49 -1.05 0.00 0.00 178.16 179.26 1ug3 h GLU 1322N 0.72 0.31 0.01 4.88 4.81 -1.39 -0.28 114.58 123.65 1ug3 h GLU 1322Ca 0.60 -0.02 -0.37 0.00 -0.13 0.00 0.00 59.36 59.44 1ug3 h GLU 1322Cb 0.97 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.22 1ug3 h GLU 1322CO -0.40 0.21 -2.32 -0.89 -0.73 0.00 0.00 179.01 174.87 1ug3 n ILE 1323N -4.45 1.50 0.24 2.32 5.41 0.64 -4.19 119.36 120.82 1ug3 n ILE 1323Ca 0.12 -0.71 0.07 0.00 1.00 0.00 0.00 62.75 63.23 1ug3 n ILE 1323Cb 0.50 -1.05 0.60 0.00 -0.71 0.00 0.00 39.64 38.98 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 0.03 -1.47 1.39 3.38 -0.26 -0.39 115.31 118.00 1ug3 h LEU 1324Ca -0.52 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 1ug3 h LEU 1324Cb 2.06 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.78 1ug3 h LEU 1324CO -0.01 0.06 0.16 -0.08 0.09 0.00 0.00 178.44 178.66 1ug3 h GLU 1325N 0.04 0.52 -0.02 1.13 4.81 -1.22 -2.49 114.58 117.34 1ug3 h GLU 1325Ca 0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ug3 h GLU 1325Cb 0.06 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.33 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 -4.40 2.61 0.12 1.64 4.77 -0.25 -4.58 117.00 116.90 1ug3 n LEU 1326Ca 0.02 -0.89 -0.14 0.00 -0.03 0.00 0.00 56.01 54.98 1ug3 n LEU 1326Cb 0.13 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1ug3 n LEU 1326CO 0.37 0.45 0.61 0.00 -1.33 0.00 0.00 177.39 177.48 1ug3 h ALA 1327N 4.45 -0.67 -0.97 -1.18 0.00 -0.83 -2.19 119.26 117.87 1ug3 h ALA 1327Ca 0.00 -0.07 0.26 0.00 0.00 0.00 0.00 54.91 55.11 1ug3 h ALA 1327Cb 0.89 0.63 -0.13 0.00 0.00 0.00 0.00 17.79 19.18 1ug3 h ALA 1327CO 0.00 -0.94 0.51 1.49 0.00 0.00 0.00 179.25 180.31 1ug3 h GLU 1328N -0.62 0.42 -0.24 0.00 4.81 -1.81 0.81 114.58 117.96 1ug3 h GLU 1328Ca 0.03 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1ug3 h GLU 1328Cb 0.64 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1ug3 h GLU 1328CO -0.22 0.28 -0.46 -0.44 -0.73 0.00 0.00 179.01 177.44 1ug3 h ASP 1329N 0.43 0.66 0.56 1.04 3.32 -1.74 -3.08 116.42 117.61 1ug3 h ASP 1329Ca 0.65 -0.32 -0.09 0.00 0.02 0.00 0.00 57.03 57.29 1ug3 h ASP 1329Cb 1.32 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1ug3 h ASP 1329CO -0.54 1.02 -0.41 0.24 -1.72 0.00 0.00 179.24 177.83 1ug3 h MET 1330N 0.49 0.00 -1.27 3.56 2.86 -0.28 -3.16 114.93 117.13 1ug3 h MET 1330Ca 0.03 0.00 0.37 0.00 -2.06 0.00 0.00 59.70 58.05 1ug3 h MET 1330Cb 0.99 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.55 1ug3 h MET 1330CO 0.09 0.41 0.85 1.49 1.06 0.00 0.00 176.91 180.81 1ug3 h GLU 1331N 0.00 0.15 -0.33 1.72 4.81 -1.25 0.56 114.58 120.23 1ug3 h GLU 1331Ca -0.00 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1ug3 h GLU 1331Cb 0.80 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 1ug3 h GLU 1331CO 0.05 0.10 0.13 0.82 -0.73 0.00 0.00 179.01 179.38 1ug3 h ILE 1332N 0.15 0.93 0.00 2.32 2.04 -1.74 -2.97 117.51 118.25 1ug3 h ILE 1332Ca 0.70 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.46 1ug3 h ILE 1332Cb 2.29 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1ug3 h ILE 1332CO -0.24 0.05 -1.50 0.47 0.00 0.00 0.00 178.15 176.93 1ug3 n ASP 1333N -5.00 0.41 -3.74 1.72 8.00 0.40 -4.65 116.55 113.68 1ug3 n ASP 1333Ca 0.00 0.09 -0.28 0.00 0.71 0.00 0.00 54.79 55.31 1ug3 n ASP 1333Cb 0.11 1.26 -0.12 0.00 -0.02 0.00 0.00 41.12 42.34 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 -3.42 1.89 0.31 0.53 1.01 0.17 -5.00 121.20 116.68 1ug3 s ILE 1334Ca -0.04 -3.34 0.06 0.00 0.00 0.00 0.00 60.65 57.34 1ug3 s ILE 1334Cb 0.12 -2.28 0.32 0.00 0.01 0.00 0.00 42.46 40.63 1ug3 s ILE 1334CO 0.85 -1.00 1.66 -0.65 0.00 0.00 0.00 174.94 175.80 1ug3 h PRO 1335N 5.95 0.27 -0.60 2.79 0.11 -1.77 -1.01 132.00 137.74 1ug3 h PRO 1335Ca 0.10 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 1ug3 h PRO 1335Cb 0.85 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 1ug3 h PRO 1335CO 0.57 0.18 0.04 0.72 -0.21 0.00 0.00 178.00 179.31 1ug3 n HIS 1336N -5.14 2.14 -0.32 0.65 8.25 -1.26 -4.63 115.22 114.91 1ug3 n HIS 1336Ca 0.25 -0.81 0.15 0.00 -0.26 0.00 0.00 57.72 57.05 1ug3 n HIS 1336Cb 0.78 -0.54 0.34 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 3.75 0.44 -0.86 1.59 3.04 -1.53 0.30 116.25 122.98 1ug3 h VAL 1337Ca 0.04 -0.14 -0.01 0.00 -1.01 0.00 0.00 66.70 65.59 1ug3 h VAL 1337Cb 2.04 0.01 -0.04 0.00 -2.01 0.00 0.00 31.29 31.29 1ug3 h VAL 1337CO 0.53 0.07 0.50 -0.50 -1.01 0.00 0.00 177.57 177.17 1ug3 h TRP 1338N 0.40 1.16 -0.64 3.17 4.06 -1.84 -0.45 115.95 121.81 1ug3 h TRP 1338Ca 0.60 -0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.50 1ug3 h TRP 1338Cb 1.18 -0.38 -0.03 0.00 -1.00 0.00 0.00 29.16 28.93 1ug3 h TRP 1338CO -0.11 0.78 0.28 1.25 -3.56 0.00 0.00 178.44 177.08 1ug3 h LEU 1339N 1.19 0.85 -1.14 -4.49 5.85 -0.78 -0.25 115.31 116.55 1ug3 h LEU 1339Ca 0.31 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1ug3 h LEU 1339Cb -0.02 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1ug3 h LEU 1339CO -0.05 0.77 0.16 1.88 -0.34 0.00 0.00 178.44 180.85 1ug3 h TYR 1340N 0.88 0.78 -0.26 1.25 0.05 -0.57 -0.83 116.97 118.27 1ug3 h TYR 1340Ca 0.22 -0.05 -0.11 0.00 0.05 0.00 0.00 58.73 58.83 1ug3 h TYR 1340Cb 0.16 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 37.66 1ug3 h TYR 1340CO 0.01 0.63 -0.26 -0.07 -1.05 0.00 0.00 178.16 177.42 1ug3 h LEU 1341N 0.75 0.67 -0.88 3.88 3.38 -0.69 -2.54 115.31 119.88 1ug3 h LEU 1341Ca 0.17 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.70 1ug3 h LEU 1341Cb 0.22 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1ug3 h LEU 1341CO -0.01 1.01 0.57 0.00 0.09 0.00 0.00 178.44 180.10 1ug3 h ALA 1342N 0.68 1.16 0.00 1.53 0.00 -0.50 -0.66 119.26 121.47 1ug3 h ALA 1342Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ug3 h ALA 1342Cb 0.82 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ug3 h ALA 1342CO 0.06 0.41 -0.08 0.93 0.00 0.00 0.00 179.25 180.58 1ug3 h GLU 1343N 1.10 0.00 0.16 0.00 5.08 -0.97 -0.36 114.58 119.59 1ug3 h GLU 1343Ca 0.35 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.40 1ug3 h GLU 1343Cb 0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1ug3 h GLU 1343CO -0.12 0.08 -1.47 -0.07 -1.00 0.00 0.00 179.01 176.43 1ug3 h LEU 1344N 0.00 0.54 0.13 1.33 3.38 -0.75 -3.39 115.31 116.55 1ug3 h LEU 1344Ca -0.00 -0.66 -0.21 0.00 0.09 0.00 0.00 57.88 57.10 1ug3 h LEU 1344Cb 0.16 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1ug3 h LEU 1344CO 0.01 1.53 -1.00 0.58 0.09 0.00 0.00 178.44 179.66 1ug3 h VAL 1345N 0.09 1.36 -0.98 1.22 2.07 -0.78 -3.37 116.25 115.87 1ug3 h VAL 1345Ca -0.23 -2.49 0.32 0.00 0.82 0.00 0.00 66.70 65.12 1ug3 h VAL 1345Cb 2.05 3.05 -0.17 0.00 -1.52 0.00 0.00 31.29 34.70 1ug3 h VAL 1345CO 0.20 0.71 0.31 0.74 0.02 0.00 0.00 177.57 179.55 1ug3 h THR 1346N -0.36 0.09 -0.12 2.57 2.02 -1.29 0.28 112.91 116.10 1ug3 h THR 1346Ca -0.19 -0.03 0.04 0.00 0.77 0.00 0.00 66.41 67.00 1ug3 h THR 1346Cb 1.67 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1ug3 h THR 1346CO 0.12 0.01 0.26 -0.65 0.37 0.00 0.00 175.52 175.63 1ug3 h PRO 1347N 0.08 0.00 0.00 6.66 0.11 -1.81 0.88 132.00 137.92 1ug3 h PRO 1347Ca 0.70 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.81 1ug3 h PRO 1347Cb 1.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.74 1ug3 h PRO 1347CO -0.79 0.00 0.00 0.82 -0.21 0.00 0.00 178.00 177.82 1ug3 h ILE 1348N 0.00 0.00 0.00 4.15 1.08 -0.69 -2.38 117.51 119.67 1ug3 h ILE 1348Ca 0.06 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1ug3 h ILE 1348Cb 0.57 1.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.45 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 -2.78 0.00 -4.75 1.44 4.77 0.30 -1.51 117.00 114.47 1ug3 n LEU 1349Ca -0.00 0.32 -0.31 0.00 -0.03 0.00 0.00 56.01 55.99 1ug3 n LEU 1349Cb 0.20 -0.32 0.10 0.00 -2.33 0.00 0.00 43.42 41.07 1ug3 n LEU 1349CO 0.21 -0.01 0.70 -1.10 -1.33 0.00 0.00 177.39 175.87 1ug3 s GLN 1350N -2.64 2.06 0.14 3.23 -0.21 -0.90 -4.74 119.66 116.60 1ug3 s GLN 1350Ca 0.26 1.26 -0.33 0.00 0.02 0.00 0.00 55.36 56.57 1ug3 s GLN 1350Cb 0.20 -1.87 -0.17 0.00 1.00 0.00 0.00 33.01 32.17 1ug3 s GLN 1350CO 0.46 -1.80 0.90 -1.91 -2.12 0.00 0.00 175.29 170.82 1ug3 n GLU 1351N -3.57 0.43 -0.15 2.91 4.07 -1.26 0.74 120.64 123.82 1ug3 n GLU 1351Ca 0.10 0.15 0.00 0.00 -0.06 0.00 0.00 57.16 57.35 1ug3 n GLU 1351Cb 0.53 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.44 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 1.82 1.62 0.00 8.31 0.00 -1.26 -5.00 105.19 110.67 1ug3 n GLY 1352Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 1.65 3.82 -0.02 0.00 0.23 -4.38 105.19 104.49 1ug3 n GLY 1353Ca 0.00 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.86 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 2.35 5.23 0.38 1.61 1.01 -0.57 -4.98 120.40 125.42 1ug3 s VAL 1354Ca 0.00 0.60 -0.28 0.00 0.00 0.00 0.00 61.98 62.30 1ug3 s VAL 1354Cb 0.00 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.66 1ug3 s VAL 1354CO 0.00 0.54 1.47 -2.84 0.00 0.00 0.00 175.10 174.27 1ug3 s PRO 1355N -0.70 4.09 0.18 2.72 0.02 -1.26 -4.51 135.00 135.54 1ug3 s PRO 1355Ca 0.20 2.54 -0.16 0.00 0.02 0.00 0.00 61.00 63.59 1ug3 s PRO 1355Cb -0.15 -2.95 0.15 0.00 0.02 0.00 0.00 34.50 31.57 1ug3 s PRO 1355CO 0.09 -0.53 1.64 1.98 -0.33 0.00 0.00 177.00 179.84 1ug3 h MET 1356N 2.97 -0.04 -0.12 5.54 1.85 -1.94 0.12 114.93 123.31 1ug3 h MET 1356Ca -0.51 0.00 0.04 0.00 -0.61 0.00 0.00 59.70 58.63 1ug3 h MET 1356Cb 1.24 0.01 -0.05 0.00 0.43 0.00 0.00 31.60 33.23 1ug3 h MET 1356CO 0.64 -0.02 -0.18 0.78 -0.40 0.00 0.00 176.91 177.73 1ug3 h GLY 1357N -0.04 -0.14 0.93 1.39 0.00 -1.91 0.75 103.07 104.06 1ug3 h GLY 1357Ca 0.23 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 1ug3 h GLY 1357CO -0.52 -0.17 0.13 0.83 0.00 0.00 0.00 176.54 176.81 1ug3 h GLU 1358N -0.23 0.40 0.33 4.80 5.08 -1.79 -2.03 114.58 121.14 1ug3 h GLU 1358Ca 0.09 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1ug3 h GLU 1358Cb 0.37 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1ug3 h GLU 1358CO -0.26 0.38 -0.26 1.25 -1.00 0.00 0.00 179.01 179.13 1ug3 h LEU 1359N 0.32 -0.68 -0.99 1.33 5.85 -0.40 0.15 115.31 120.88 1ug3 h LEU 1359Ca 0.10 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.96 1ug3 h LEU 1359Cb 0.12 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 1ug3 h LEU 1359CO -0.01 -0.39 0.63 -0.26 -0.34 0.00 0.00 178.44 178.06 1ug3 h PHE 1360N -0.60 1.15 -0.14 1.25 -1.00 -0.83 0.13 116.94 116.91 1ug3 h PHE 1360Ca -0.02 0.03 -0.21 0.00 2.81 0.00 0.00 57.97 60.58 1ug3 h PHE 1360Cb 0.52 -0.37 0.01 0.00 3.61 0.00 0.00 35.95 39.72 1ug3 h PHE 1360CO -0.14 0.52 -0.75 0.00 -1.61 0.00 0.00 178.31 176.32 1ug3 h ARG 1361N 1.06 0.70 0.14 1.51 3.08 -1.08 -3.05 114.38 116.73 1ug3 h ARG 1361Ca 0.46 -0.56 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1ug3 h ARG 1361Cb 0.35 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1ug3 h ARG 1361CO -0.23 1.18 -0.07 1.49 -1.07 0.00 0.00 179.97 181.27 1ug3 h GLU 1362N 0.48 -0.18 -1.32 0.04 4.57 -0.58 -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 58.53 1ug3 h GLU 1362Cb 1.37 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.93 1ug3 h GLU 1362CO 0.15 0.09 0.93 0.97 -1.18 0.00 0.00 179.01 179.97 1ug3 h ILE 1363N -1.00 0.32 -0.01 2.32 6.09 -0.88 -1.19 117.51 123.16 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 0.35 0.25 0.00 0.00 0.47 0.00 0.00 36.82 37.89 1ug3 h ILE 1363CO 0.03 0.01 -0.14 0.35 -3.07 0.00 0.00 178.15 175.33 1ug3 n THR 1364N -4.25 0.00 -0.05 2.19 -2.24 -1.15 -4.27 114.28 104.50 1ug3 n THR 1364Ca 0.30 -0.09 -0.08 0.00 -2.27 0.00 0.00 64.05 61.91 1ug3 n THR 1364Cb 1.35 0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 69.65 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 0.87 -0.18 -0.56 -0.78 1.57 -1.33 0.30 116.57 116.45 1ug3 h LYS 1365Ca 0.00 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.96 1ug3 h LYS 1365Cb 0.40 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1ug3 h LYS 1365CO 0.00 -0.12 0.47 -1.35 -0.57 0.00 0.00 179.45 177.88 1ug3 h PRO 1366N -0.19 0.00 -0.09 3.15 0.11 -1.81 1.24 132.00 134.41 1ug3 h PRO 1366Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1ug3 h PRO 1366Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1ug3 h PRO 1366CO -0.36 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.71 1ug3 n LEU 1367N -4.05 1.66 -0.09 2.35 4.32 0.91 -3.64 117.00 118.46 1ug3 n LEU 1367Ca 0.11 -0.63 -0.09 0.00 -0.02 0.00 0.00 56.01 55.38 1ug3 n LEU 1367Cb 0.70 -0.06 -0.02 0.00 -1.62 0.00 0.00 43.42 42.42 1ug3 n LEU 1367CO 0.33 0.31 0.98 -0.09 -1.22 0.00 0.00 177.39 177.70 1ug3 h ARG 1368N 2.40 0.43 0.10 3.23 2.43 0.31 0.23 114.38 123.51 1ug3 h ARG 1368Ca 0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1ug3 h ARG 1368Cb 0.52 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1ug3 h ARG 1368CO 0.00 0.32 -0.05 -1.35 -1.51 0.00 0.00 179.97 177.38 1ug3 h PRO 1369N 0.41 -0.14 -0.91 0.20 0.11 -1.67 -3.22 132.00 126.78 1ug3 h PRO 1369Ca 0.11 0.01 0.13 0.00 0.11 0.00 0.00 66.00 66.36 1ug3 h PRO 1369Cb 0.01 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.08 1ug3 h PRO 1369CO -0.02 0.21 0.59 -0.07 -0.21 0.00 0.00 178.00 178.49 1ug3 h LEU 1370N -0.50 0.74 0.22 2.35 3.38 -1.65 -3.45 115.31 116.41 1ug3 h LEU 1370Ca -0.01 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1ug3 h LEU 1370Cb 0.41 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1ug3 h LEU 1370CO 0.02 0.39 -0.06 0.61 0.09 0.00 0.00 178.44 179.50 1ug3 n GLY 1371N -1.41 0.47 0.50 0.83 0.00 0.06 -4.93 105.19 100.72 1ug3 n GLY 1371Ca 0.17 -0.89 0.07 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.35 2.60 -0.29 1.61 5.02 -1.18 -4.75 118.16 118.83 1ug3 n LYS 1372Ca -0.03 -2.33 0.11 0.00 -2.02 0.00 0.00 58.31 54.04 1ug3 n LYS 1372Cb 0.24 -1.47 0.27 0.00 -0.02 0.00 0.00 35.03 34.05 1ug3 n LYS 1372CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ug3 h ALA 1373N 1.19 1.27 -0.88 7.82 0.00 -1.80 -0.63 119.26 126.24 1ug3 h ALA 1373Ca 0.00 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1ug3 h ALA 1373Cb 0.99 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1ug3 h ALA 1373CO 0.08 -0.36 0.56 0.00 0.00 0.00 0.00 179.25 179.52 1ug3 h ALA 1374N 1.70 1.20 -0.88 0.00 0.00 -1.86 -2.41 119.26 117.01 1ug3 h ALA 1374Ca 0.52 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.57 1ug3 h ALA 1374Cb 0.97 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1ug3 h ALA 1374CO -0.55 0.34 0.57 0.77 0.00 0.00 0.00 179.25 180.38 1ug3 h SER 1375N 1.03 0.56 0.00 0.00 0.02 -1.47 0.04 113.55 113.73 1ug3 h SER 1375Ca 0.38 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.32 1ug3 h SER 1375Cb 0.13 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1ug3 h SER 1375CO -0.16 0.27 -0.35 0.25 -1.14 0.00 0.00 176.83 175.70 1ug3 h LEU 1376N 0.59 0.00 -0.94 5.07 5.85 -1.50 -3.30 115.31 121.09 1ug3 h LEU 1376Ca 0.45 -0.39 0.15 0.00 0.84 0.00 0.00 57.88 58.93 1ug3 h LEU 1376Cb 0.85 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.78 1ug3 h LEU 1376CO -0.19 0.89 0.54 -0.07 -0.34 0.00 0.00 178.44 179.26 1ug3 h LEU 1377N -1.00 0.71 -0.44 2.25 3.38 -1.35 -0.38 115.31 118.48 1ug3 h LEU 1377Ca -0.07 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1ug3 h LEU 1377Cb 0.64 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1ug3 h LEU 1377CO -0.04 0.30 0.18 -0.07 0.09 0.00 0.00 178.44 178.90 1ug3 h LEU 1378N 0.76 0.22 -1.27 1.67 3.38 -1.14 0.30 115.31 119.22 1ug3 h LEU 1378Ca 0.51 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.45 1ug3 h LEU 1378Cb 0.70 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1ug3 h LEU 1378CO -0.35 0.16 -0.20 -0.33 0.09 0.00 0.00 178.44 177.82 1ug3 h GLU 1379N 0.37 0.25 -0.18 1.13 4.39 -1.19 -1.03 114.58 118.31 1ug3 h GLU 1379Ca 0.20 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1ug3 h GLU 1379Cb 0.16 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1ug3 h GLU 1379CO -0.18 0.44 -0.29 0.82 -1.16 0.00 0.00 179.01 178.65 1ug3 h ILE 1380N 0.23 1.34 -0.30 3.13 2.04 -0.09 -2.23 117.51 121.63 1ug3 h ILE 1380Ca 0.04 -1.51 -0.04 0.00 1.00 0.00 0.00 64.86 64.36 1ug3 h ILE 1380Cb 0.49 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1ug3 h ILE 1380CO 0.03 0.46 0.03 -0.07 0.00 0.00 0.00 178.15 178.60 1ug3 h LEU 1381N 0.18 0.41 -0.38 1.44 3.38 -0.23 -1.87 115.31 118.23 1ug3 h LEU 1381Ca 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1ug3 h LEU 1381Cb 0.87 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1ug3 h LEU 1381CO 0.07 0.46 0.17 1.23 0.09 0.00 0.00 178.44 180.45 1ug3 h GLY 1382N 0.73 0.60 0.90 0.83 0.00 -0.99 -0.03 103.07 105.10 1ug3 h GLY 1382Ca 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1ug3 h GLY 1382CO 0.00 0.29 0.09 1.41 0.00 0.00 0.00 176.54 178.34 1ug3 h LEU 1383N 0.48 0.33 -0.18 3.11 3.38 -0.94 -2.04 115.31 119.45 1ug3 h LEU 1383Ca 0.13 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1ug3 h LEU 1383Cb 0.15 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1ug3 h LEU 1383CO -0.01 0.41 0.01 -0.07 0.09 0.00 0.00 178.44 178.86 1ug3 h LEU 1384N 0.24 -0.06 -0.65 1.67 3.38 -1.20 -1.98 115.31 116.71 1ug3 h LEU 1384Ca 0.08 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.22 1ug3 h LEU 1384Cb 0.18 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.90 1ug3 h LEU 1384CO -0.01 -0.00 0.13 0.00 0.09 0.00 0.00 178.44 178.65 1ug3 h LYS 1386N 0.25 0.52 0.00 0.00 1.57 -0.63 0.21 116.57 118.49 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 0.56 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1ug3 h LYS 1386CO -0.45 0.35 -1.26 -1.13 -0.57 0.00 0.00 179.45 176.39 1ug3 n SER 1387N -4.52 0.54 0.00 0.86 3.41 0.60 -4.71 113.62 109.79 1ug3 n SER 1387Ca 0.16 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1ug3 n SER 1387Cb 0.53 1.07 0.00 0.00 -0.26 0.00 0.00 64.21 65.54 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 -2.06 0.00 0.00 4.33 0.00 0.15 -4.87 117.12 114.66 1ug3 n MET 1388Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.71 1ug3 n MET 1388Cb 0.47 -0.26 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 -0.01 0.39 3.17 0.00 0.69 -4.47 105.19 104.96 1ug3 n GLY 1389Ca 0.00 -1.27 0.17 0.00 0.00 0.00 0.00 46.02 44.92 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 0.46 0.42 1.61 0.11 -1.75 -1.35 132.00 131.51 1ug3 h PRO 1390Ca 0.00 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1ug3 h PRO 1390Cb 0.00 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 30.98 1ug3 h PRO 1390CO 0.00 0.31 -0.45 -0.22 -0.21 0.00 0.00 178.00 177.43 1ug3 h LYS 1391N 0.48 -0.86 -0.49 1.05 3.64 -1.87 0.62 116.57 119.14 1ug3 h LYS 1391Ca 0.46 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.87 1ug3 h LYS 1391Cb 1.03 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1ug3 h LYS 1391CO -0.19 -0.57 0.20 -0.22 -2.27 0.00 0.00 179.45 176.40 1ug3 h LYS 1392N -0.89 0.69 -0.26 1.90 3.64 -1.63 -1.53 116.57 118.49 1ug3 h LYS 1392Ca -0.04 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1ug3 h LYS 1392Cb 0.79 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1ug3 h LYS 1392CO -0.08 0.57 0.13 0.28 -2.27 0.00 0.00 179.45 178.07 1ug3 h VAL 1393N 0.69 1.15 -1.00 2.00 2.07 -0.43 -0.49 116.25 120.24 1ug3 h VAL 1393Ca 0.17 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.31 1ug3 h VAL 1393Cb 0.13 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 1ug3 h VAL 1393CO -0.02 0.15 0.65 1.23 0.02 0.00 0.00 177.57 179.60 1ug3 h GLY 1394N 0.30 1.46 0.99 2.17 0.00 0.88 0.55 103.07 109.42 1ug3 h GLY 1394Ca 0.09 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1ug3 h GLY 1394CO -0.01 0.42 0.25 -0.91 0.00 0.00 0.00 176.54 176.29 1ug3 h THR 1395N 1.26 1.22 -0.50 4.70 1.35 -0.87 0.20 112.91 120.27 1ug3 h THR 1395Ca 0.40 -0.67 -0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1ug3 h THR 1395Cb 0.01 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 66.98 1ug3 h THR 1395CO -0.13 0.26 0.30 -0.07 -0.25 0.00 0.00 175.52 175.63 1ug3 h LEU 1396N 0.80 0.61 0.17 3.87 3.38 0.03 0.16 115.31 124.33 1ug3 h LEU 1396Ca 0.20 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1ug3 h LEU 1396Cb 0.17 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1ug3 h LEU 1396CO -0.02 0.49 -0.10 -0.25 0.09 0.00 0.00 178.44 178.66 1ug3 h TRP 1397N 0.67 -0.25 -0.29 1.13 2.91 -0.51 -2.28 115.95 117.33 1ug3 h TRP 1397Ca 0.18 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.22 1ug3 h TRP 1397Cb 0.00 0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 28.71 1ug3 h TRP 1397CO -0.03 -0.16 0.13 0.00 -1.03 0.00 0.00 178.44 177.35 1ug3 h ARG 1398N -0.25 0.26 -0.00 2.65 3.08 -0.23 -1.70 114.38 118.19 1ug3 h ARG 1398Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1ug3 h ARG 1398Cb 0.21 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1ug3 h ARG 1398CO 0.02 0.17 0.00 0.93 -1.07 0.00 0.00 179.97 180.03 1ug3 h GLU 1399N 0.27 0.00 -0.01 0.04 5.08 -0.57 0.57 114.58 119.96 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 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1ug3 h GLU 1399CO -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.91 1ug3 n ALA 1400N -2.34 2.65 -2.02 3.43 0.00 -0.66 -4.86 120.51 116.70 1ug3 n ALA 1400Ca -0.03 -0.23 -0.19 0.00 0.00 0.00 0.00 53.44 52.99 1ug3 n ALA 1400Cb 0.08 -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 0.99 0.53 3.78 0.00 0.00 0.20 -4.74 105.19 105.96 1ug3 n GLY 1401Ca 0.21 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.95 3.88 -0.03 0.99 1.43 -1.06 -5.05 118.68 113.88 1ug3 s LEU 1402Ca 0.00 2.07 -0.01 0.00 -1.03 0.00 0.00 54.13 55.15 1ug3 s LEU 1402Cb 0.00 -4.47 0.02 0.00 0.03 0.00 0.00 46.19 41.77 1ug3 s LEU 1402CO 0.00 -0.89 0.07 -0.55 0.23 0.00 0.00 176.35 175.21 1ug3 s SER 1403N -1.77 -0.02 0.60 2.29 0.15 -1.26 -4.79 113.70 108.88 1ug3 s SER 1403Ca 0.67 0.14 0.34 0.00 0.70 0.00 0.00 55.95 57.80 1ug3 s SER 1403Cb -0.21 0.06 1.89 0.00 -1.71 0.00 0.00 66.02 66.06 1ug3 s SER 1403CO 0.25 -0.10 2.23 -0.50 1.20 0.00 0.00 173.24 176.33 1ug3 h TRP 1404N 6.84 0.00 -0.96 3.44 4.06 -1.98 0.85 115.95 128.21 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 0.59 -0.22 -3.56 0.00 0.00 178.44 175.73 1ug3 h LYS 1405N 0.00 0.88 -0.06 0.49 3.64 -1.95 0.48 116.57 120.05 1ug3 h LYS 1405Ca -0.00 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1ug3 h LYS 1405Cb 0.11 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1ug3 h LYS 1405CO 0.00 0.58 0.12 0.93 -2.27 0.00 0.00 179.45 178.82 1ug3 h GLU 1406N 0.91 0.00 0.00 1.90 5.08 -1.24 -3.13 114.58 118.09 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 -3.44 0.00 -4.00 4.33 3.72 0.15 -5.05 117.46 113.16 1ug3 n PHE 1407Ca -0.01 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.13 1ug3 n PHE 1407Cb 0.21 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.71 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 -0.33 4.13 0.61 4.37 1.43 0.05 -4.31 118.68 124.63 1ug3 s LEU 1408Ca 0.00 0.05 -0.19 0.00 -1.03 0.00 0.00 54.13 52.95 1ug3 s LEU 1408Cb 0.00 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 1ug3 s LEU 1408CO 0.00 0.05 1.18 -2.65 0.23 0.00 0.00 176.35 175.16 1ug3 n PRO 1409N -0.55 1.16 -1.68 1.29 -0.02 -1.26 -4.85 135.00 129.09 1ug3 n PRO 1409Ca -0.08 0.44 -0.45 0.00 -2.02 0.00 0.00 63.50 61.40 1ug3 n PRO 1409Cb 0.55 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 1ug3 n PRO 1409CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ug3 n GLU 1410N -1.34 2.29 0.00 -0.52 4.71 -1.26 -1.85 120.64 122.67 1ug3 n GLU 1410Ca 0.14 0.83 0.00 0.00 -0.01 0.00 0.00 57.16 58.11 1ug3 n GLU 1410Cb 0.47 -2.61 0.00 0.00 -1.01 0.00 0.00 31.44 28.29 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 3.43 1.85 3.76 0.62 0.00 -1.26 -5.03 105.19 108.56 1ug3 n GLY 1411Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1ug3 n GLY 1411CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ug3 s GLN 1412N -0.42 4.30 -0.49 1.61 0.74 -0.77 -4.91 119.66 119.72 1ug3 s GLN 1412Ca 0.00 2.28 -0.29 0.00 0.05 0.00 0.00 55.36 57.40 1ug3 s GLN 1412Cb 0.00 -3.08 0.02 0.00 1.10 0.00 0.00 33.01 31.05 1ug3 s GLN 1412CO 0.00 -0.31 1.24 0.34 -0.55 0.00 0.00 175.29 176.01 1ug3 s ASP 1413N -0.11 6.47 0.15 6.67 2.15 -1.26 -4.89 116.67 125.86 1ug3 s ASP 1413Ca 0.53 0.46 -0.19 0.00 0.43 0.00 0.00 52.55 53.78 1ug3 s ASP 1413Cb -0.41 -2.55 0.05 0.00 -0.30 0.00 0.00 42.92 39.71 1ug3 s ASP 1413CO 0.50 -1.39 1.67 0.40 -0.17 0.00 0.00 175.17 176.17 1ug3 h ILE 1414N 6.29 0.59 -0.77 4.11 1.08 -1.98 -0.17 117.51 126.66 1ug3 h ILE 1414Ca -0.25 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.40 1ug3 h ILE 1414Cb 1.07 0.59 -0.12 0.00 -3.07 0.00 0.00 36.82 35.29 1ug3 h ILE 1414CO 1.14 0.00 0.13 1.23 -0.69 0.00 0.00 178.15 179.95 1ug3 h GLY 1415N -0.07 1.03 0.53 5.37 0.00 -1.99 0.58 103.07 108.52 1ug3 h GLY 1415Ca 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1ug3 h GLY 1415CO -0.36 -0.27 -0.15 0.00 0.00 0.00 0.00 176.54 175.77 1ug3 h ALA 1416N 1.68 -0.41 -0.45 3.60 0.00 -1.68 -2.47 119.26 119.53 1ug3 h ALA 1416Ca 0.44 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.25 1ug3 h ALA 1416Cb 0.80 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 1ug3 h ALA 1416CO -0.59 -0.49 -0.26 0.35 0.00 0.00 0.00 179.25 178.25 1ug3 h PHE 1417N -0.89 -0.68 -0.93 0.00 3.57 -0.61 0.45 116.94 117.86 1ug3 h PHE 1417Ca -0.04 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1ug3 h PHE 1417Cb 0.52 0.37 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 1ug3 h PHE 1417CO 0.04 -0.33 0.61 0.28 -2.23 0.00 0.00 178.31 176.68 1ug3 h VAL 1418N -0.17 1.20 -0.39 1.41 2.07 -0.98 0.13 116.25 119.53 1ug3 h VAL 1418Ca 0.21 -0.42 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 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 -0.55 0.22 -0.14 0.00 0.02 0.00 0.00 177.57 177.13 1ug3 h ALA 1419N 1.44 0.54 -0.19 1.67 0.00 -0.52 -1.14 119.26 121.06 1ug3 h ALA 1419Ca 0.36 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1ug3 h ALA 1419Cb -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ug3 h ALA 1419CO -0.09 0.45 -0.57 1.05 0.00 0.00 0.00 179.25 180.08 1ug3 h GLU 1420N 0.59 0.72 -0.00 0.00 4.11 0.40 -3.09 114.58 117.30 1ug3 h GLU 1420Ca 0.09 -0.52 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1ug3 h GLU 1420Cb 0.67 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1ug3 h GLU 1420CO 0.05 1.14 -0.01 1.04 0.07 0.00 0.00 179.01 181.29 1ug3 n GLN 1421N -4.09 0.94 -3.31 1.06 3.00 0.41 -4.94 117.38 110.45 1ug3 n GLN 1421Ca -0.06 -0.14 -0.16 0.00 -0.01 0.00 0.00 57.00 56.62 1ug3 n GLN 1421Cb 0.64 -1.50 0.08 0.00 0.00 0.00 0.00 30.24 29.46 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 -0.91 -6.13 -1.90 -1.09 5.02 -0.82 -4.95 118.16 107.38 1ug3 n LYS 1422Ca 0.21 0.74 -0.09 0.00 -2.02 0.00 0.00 58.31 57.15 1ug3 n LYS 1422Cb 0.18 -5.47 0.06 0.00 -0.02 0.00 0.00 35.03 29.79 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 -3.99 1.85 0.30 -0.18 0.24 -0.49 -4.79 118.33 111.26 1ug3 n VAL 1423Ca -0.19 -3.32 0.19 0.00 -2.04 0.00 0.00 64.34 58.97 1ug3 n VAL 1423Cb 0.63 -0.08 0.99 0.00 -1.47 0.00 0.00 33.84 33.91 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 1.93 0.00 0.00 7.34 3.07 -1.93 -0.95 114.58 124.04 1ug3 h GLU 1424Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 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 0.39 0.00 0.00 0.10 -1.40 0.00 0.00 179.01 178.10 1ug3 h TYR 1425N 0.00 0.00 0.00 4.33 -0.00 -1.92 -1.37 116.97 118.01 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 0.27 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.00 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 -2.94 0.48 -2.01 -0.90 -2.24 -0.36 -4.29 114.28 102.02 1ug3 n THR 1426Ca -0.01 -0.20 -0.26 0.00 -2.27 0.00 0.00 64.05 61.31 1ug3 n THR 1426Cb 0.16 -0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 67.74 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 -4.18 3.05 0.03 3.22 1.43 -0.52 -4.66 118.68 117.05 1ug3 s LEU 1427Ca 0.11 -1.12 -0.10 0.00 -1.03 0.00 0.00 54.13 51.98 1ug3 s LEU 1427Cb 0.14 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.79 1ug3 s LEU 1427CO 0.57 -3.08 0.22 0.00 0.23 0.00 0.00 176.35 174.29 1ug3 s ALA 1438N 11.17 -0.45 0.26 4.21 0.00 -1.26 -5.01 121.76 130.67 1ug3 s ALA 1438Ca 0.71 -0.16 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 1ug3 s ALA 1438Cb -0.04 0.26 -0.10 0.00 0.00 0.00 0.00 23.12 23.24 1ug3 s ALA 1438CO 0.07 -0.35 1.36 -0.51 0.00 0.00 0.00 175.76 176.34 1ug3 s LEU 1439N -1.95 4.41 0.39 0.00 1.43 -1.26 -4.88 118.68 116.81 1ug3 s LEU 1439Ca -0.07 2.60 0.09 0.00 -1.03 0.00 0.00 54.13 55.72 1ug3 s LEU 1439Cb -0.02 -3.63 0.85 0.00 0.03 0.00 0.00 46.19 43.42 1ug3 s LEU 1439CO -0.03 -0.60 1.97 -0.65 0.23 0.00 0.00 176.35 177.28 1ug3 h PRO 1440N 4.61 0.61 -0.56 1.29 0.11 -2.05 0.68 132.00 136.70 1ug3 h PRO 1440Ca -0.47 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1ug3 h PRO 1440Cb 1.22 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1ug3 h PRO 1440CO 0.74 0.40 0.11 0.66 -0.21 0.00 0.00 178.00 179.70 1ug3 h SER 1441N 0.62 0.82 0.71 -2.05 4.64 -2.00 -0.51 113.55 115.78 1ug3 h SER 1441Ca 0.29 -0.16 -0.26 0.00 -0.47 0.00 0.00 61.79 61.19 1ug3 h SER 1441Cb 0.33 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1ug3 h SER 1441CO -0.09 0.81 -1.18 -0.33 -0.87 0.00 0.00 176.83 175.17 1ug3 h GLU 1442N 0.83 0.21 -0.58 4.77 5.08 -1.66 -3.10 114.58 120.13 1ug3 h GLU 1442Ca 0.18 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1ug3 h GLU 1442Cb 0.33 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1ug3 h GLU 1442CO 0.00 1.17 0.33 1.49 -1.00 0.00 0.00 179.01 181.00 1ug3 h GLU 1443N 0.06 0.79 -0.08 2.33 4.57 -0.62 -2.40 114.58 119.24 1ug3 h GLU 1443Ca -0.10 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.04 1ug3 h GLU 1443Cb 1.91 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 30.29 1ug3 h GLU 1443CO 0.19 0.57 -0.23 1.25 -1.18 0.00 0.00 179.01 179.61 1ug3 h LEU 1444N 0.80 -0.70 -0.76 1.64 6.46 -1.02 -0.34 115.31 121.39 1ug3 h LEU 1444Ca 0.21 0.11 0.10 0.00 -0.12 0.00 0.00 57.88 58.18 1ug3 h LEU 1444Cb 0.00 0.30 -0.07 0.00 -0.73 0.00 0.00 40.66 40.16 1ug3 h LEU 1444CO -0.04 -0.29 0.40 0.78 -0.62 0.00 0.00 178.44 178.67 1ug3 h ASN 1445N -0.32 0.53 -0.72 1.25 2.35 -1.46 -0.61 115.58 116.61 1ug3 h ASN 1445Ca 0.08 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 1ug3 h ASN 1445Cb 0.44 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 1ug3 h ASN 1445CO -0.26 0.29 0.26 0.03 -1.65 0.00 0.00 177.43 176.10 1ug3 h ARG 1446N 0.66 1.10 -0.03 0.81 3.08 -1.04 -1.34 114.38 117.61 1ug3 h ARG 1446Ca 0.38 -0.21 -0.23 0.00 0.07 0.00 0.00 59.98 59.98 1ug3 h ARG 1446Cb 0.40 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.29 1ug3 h ARG 1446CO -0.27 0.92 -0.92 1.96 -1.07 0.00 0.00 179.97 180.59 1ug3 h GLN 1447N 1.07 0.55 -0.47 0.04 4.20 -0.24 -2.04 115.11 118.23 1ug3 h GLN 1447Ca 0.24 -0.55 -0.12 0.00 0.06 0.00 0.00 58.65 58.28 1ug3 h GLN 1447Cb 0.26 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1ug3 h GLN 1447CO -0.01 1.17 -0.19 -0.07 -0.67 0.00 0.00 178.83 179.06 1ug3 h LEU 1448N 0.33 0.97 -0.27 1.46 3.38 -1.08 -0.57 115.31 119.54 1ug3 h LEU 1448Ca -0.08 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.53 1ug3 h LEU 1448Cb 1.55 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 1ug3 h LEU 1448CO 0.17 1.14 0.06 -0.08 0.09 0.00 0.00 178.44 179.82 1ug3 h GLU 1449N 0.80 0.16 -0.19 1.13 4.81 -1.23 -1.31 114.58 118.74 1ug3 h GLU 1449Ca 0.11 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1ug3 h GLU 1449Cb 0.76 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1ug3 h GLU 1449CO 0.06 0.10 0.11 -0.22 -0.73 0.00 0.00 179.01 178.34 1ug3 h LYS 1450N 0.16 0.26 -0.55 1.92 3.64 -1.15 0.99 116.57 121.84 1ug3 h LYS 1450Ca 0.12 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.58 1ug3 h LYS 1450Cb 0.12 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 31.80 1ug3 h LYS 1450CO -0.16 0.22 0.06 -0.07 -2.27 0.00 0.00 179.45 177.24 1ug3 h LEU 1451N 0.22 -0.11 -0.24 5.20 3.38 -0.63 0.18 115.31 123.30 1ug3 h LEU 1451Ca 0.07 0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1ug3 h LEU 1451Cb 0.03 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ug3 h LEU 1451CO -0.01 -0.04 -0.19 -0.07 0.09 0.00 0.00 178.44 178.22 1ug3 h LEU 1452N 0.18 0.59 -0.94 1.67 3.38 -0.99 -2.25 115.31 116.96 1ug3 h LEU 1452Ca 0.28 -0.45 0.15 0.00 0.09 0.00 0.00 57.88 57.96 1ug3 h LEU 1452Cb 0.43 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.92 1ug3 h LEU 1452CO -0.41 0.92 0.54 0.50 0.09 0.00 0.00 178.44 180.07 1ug3 h LYS 1453N 0.27 0.74 -0.50 1.13 1.63 0.05 0.10 116.57 120.00 1ug3 h LYS 1453Ca 0.05 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ug3 h LYS 1453Cb 0.73 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1ug3 h LYS 1453CO 0.05 0.49 0.00 -0.85 -3.45 0.00 0.00 179.45 175.69 1ug3 n GLU 1454N -4.77 1.57 -2.39 1.90 0.28 -0.03 -4.89 120.64 112.32 1ug3 n GLU 1454Ca 0.19 -0.61 -0.17 0.00 -0.16 0.00 0.00 57.16 56.41 1ug3 n GLU 1454Cb 0.46 -1.37 -0.00 0.00 1.43 0.00 0.00 31.44 31.96 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 0.47 -0.34 3.76 -1.84 0.00 0.36 -4.96 105.19 102.64 1ug3 n GLY 1455Ca 0.06 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1ug3 n GLY 1455CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug3 s SER 1456N -2.28 5.67 0.78 1.61 0.01 -0.86 -4.99 113.70 113.64 1ug3 s SER 1456Ca 0.03 2.90 -0.12 0.00 1.31 0.00 0.00 55.95 60.07 1ug3 s SER 1456Cb -0.01 -2.65 0.06 0.00 0.21 0.00 0.00 66.02 63.63 1ug3 s SER 1456CO 0.03 -1.31 1.10 -0.94 0.41 0.00 0.00 173.24 172.53 1ug3 s SER 1457N -0.61 4.66 0.32 2.44 1.04 -1.26 -4.88 113.70 115.40 1ug3 s SER 1457Ca 0.64 1.23 -0.00 0.00 0.48 0.00 0.00 55.95 58.30 1ug3 s SER 1457Cb -0.43 -1.96 0.52 0.00 0.10 0.00 0.00 66.02 64.25 1ug3 s SER 1457CO 0.55 -1.86 1.97 0.78 0.98 0.00 0.00 173.24 175.66 1ug3 h ASN 1458N -1.01 0.87 -0.33 7.02 2.35 -1.94 -2.17 115.58 120.36 1ug3 h ASN 1458Ca -0.47 -0.02 -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 0.61 0.62 0.18 1.56 -1.65 0.00 0.00 177.43 178.74 1ug3 h GLN 1459N 1.02 0.47 -0.88 0.81 1.08 -1.98 0.28 115.11 115.90 1ug3 h GLN 1459Ca 0.30 -0.06 0.07 0.00 -1.45 0.00 0.00 58.65 57.51 1ug3 h GLN 1459Cb -0.04 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.23 1ug3 h GLN 1459CO -0.08 0.41 0.55 -0.09 -0.95 0.00 0.00 178.83 178.67 1ug3 h ARG 1460N 0.41 0.96 -0.29 1.46 2.43 -1.80 0.32 114.38 117.88 1ug3 h ARG 1460Ca 0.12 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 1ug3 h ARG 1460Cb 0.08 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1ug3 h ARG 1460CO -0.02 0.63 -0.26 0.28 -1.51 0.00 0.00 179.97 179.10 1ug3 h VAL 1461N 0.98 1.30 -0.35 0.20 2.07 -0.91 0.06 116.25 119.60 1ug3 h VAL 1461Ca 0.39 -1.41 0.05 0.00 0.82 0.00 0.00 66.70 66.54 1ug3 h VAL 1461Cb 0.20 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1ug3 h VAL 1461CO -0.18 0.45 0.09 -0.26 0.02 0.00 0.00 177.57 177.68 1ug3 h PHE 1462N 0.42 0.15 -0.33 1.57 0.04 0.45 -0.98 116.94 118.26 1ug3 h PHE 1462Ca 0.05 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 1ug3 h PHE 1462Cb 0.82 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.94 1ug3 h PHE 1462CO 0.07 0.04 0.12 -0.44 -0.60 0.00 0.00 178.31 177.50 1ug3 h ASP 1463N 0.21 0.46 -0.23 2.17 3.32 -0.26 -2.20 116.42 119.90 1ug3 h ASP 1463Ca 0.17 -0.18 0.05 0.00 0.02 0.00 0.00 57.03 57.08 1ug3 h ASP 1463Cb 0.17 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 1ug3 h ASP 1463CO -0.20 0.52 -0.07 -0.25 -1.72 0.00 0.00 179.24 177.52 1ug3 h TRP 1464N 0.38 -0.15 -0.44 4.55 7.01 -0.58 0.28 115.95 127.00 1ug3 h TRP 1464Ca 0.11 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.19 1ug3 h TRP 1464Cb 0.21 0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.32 1ug3 h TRP 1464CO -0.00 -0.11 0.14 0.82 -2.79 0.00 0.00 178.44 176.50 1ug3 h ILE 1465N -0.02 0.84 -0.79 2.65 2.04 -1.05 0.29 117.51 121.48 1ug3 h ILE 1465Ca 0.11 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1ug3 h ILE 1465Cb 0.19 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1ug3 h ILE 1465CO -0.25 0.06 0.37 -0.33 0.00 0.00 0.00 178.15 178.00 1ug3 h GLU 1466N 0.30 1.13 0.00 2.37 4.39 -0.74 -0.92 114.58 121.11 1ug3 h GLU 1466Ca 0.21 -0.17 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 1ug3 h GLU 1466Cb 0.22 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1ug3 h GLU 1466CO -0.23 0.88 -0.29 0.00 -1.16 0.00 0.00 179.01 178.21 1ug3 h ALA 1467N 1.28 0.84 0.00 3.43 0.00 0.43 -3.38 119.26 121.86 1ug3 h ALA 1467Ca 0.27 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ug3 h ALA 1467Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ug3 h ALA 1467CO -0.03 0.36 -1.11 0.09 0.00 0.00 0.00 179.25 178.56 1ug3 n ASN 1468N -3.21 1.84 -4.63 0.00 3.02 0.94 -5.02 115.26 108.20 1ug3 n ASN 1468Ca 0.02 -0.27 -0.25 0.00 -0.03 0.00 0.00 54.58 54.05 1ug3 n ASN 1468Cb 0.61 1.30 -0.08 0.00 -0.61 0.00 0.00 39.78 41.00 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 -3.26 3.19 0.81 3.41 1.43 -0.38 -5.06 118.68 118.81 1ug3 s LEU 1469Ca -0.01 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.45 1ug3 s LEU 1469Cb 0.07 -1.80 0.10 0.00 0.03 0.00 0.00 46.19 44.59 1ug3 s LEU 1469CO 0.42 0.06 1.15 -0.94 0.23 0.00 0.00 176.35 177.28 1ug3 s SER 1470N -3.17 4.30 0.16 2.29 1.04 -1.26 -4.78 113.70 112.28 1ug3 s SER 1470Ca 0.28 0.53 -0.15 0.00 0.48 0.00 0.00 55.95 57.09 1ug3 s SER 1470Cb -0.08 -0.97 0.10 0.00 0.10 0.00 0.00 66.02 65.16 1ug3 s SER 1470CO 0.18 -1.99 1.74 -0.33 0.98 0.00 0.00 173.24 173.82 1ug3 h GLU 1471N -1.03 0.25 -0.31 4.02 5.08 -1.99 0.12 114.58 120.73 1ug3 h GLU 1471Ca -0.45 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1ug3 h GLU 1471Cb 1.30 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1ug3 h GLU 1471CO 0.58 0.17 0.16 1.96 -1.00 0.00 0.00 179.01 180.87 1ug3 h GLN 1472N 0.26 0.44 -0.96 2.33 1.08 -1.99 -2.76 115.11 113.51 1ug3 h GLN 1472Ca 0.19 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1ug3 h GLN 1472Cb 0.20 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.50 1ug3 h GLN 1472CO -0.22 0.39 0.64 1.96 -0.95 0.00 0.00 178.83 180.65 1ug3 h GLN 1473N 0.37 1.26 -0.37 1.46 4.20 -1.78 -2.64 115.11 117.61 1ug3 h GLN 1473Ca 0.11 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.75 1ug3 h GLN 1473Cb 0.09 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 1ug3 h GLN 1473CO -0.02 0.83 0.25 0.82 -0.67 0.00 0.00 178.83 180.04 1ug3 h ILE 1474N 1.29 1.09 -0.61 2.54 2.04 -0.49 -2.49 117.51 120.88 1ug3 h ILE 1474Ca 0.36 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 66.05 1ug3 h ILE 1474Cb -0.13 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1ug3 h ILE 1474CO -0.08 0.09 0.00 1.33 0.00 0.00 0.00 178.15 179.49 1ug3 n VAL 1475N -4.48 0.89 -1.98 1.67 0.24 -1.03 -4.95 118.33 108.69 1ug3 n VAL 1475Ca 0.03 -0.94 -0.33 0.00 -2.04 0.00 0.00 64.34 61.05 1ug3 n VAL 1475Cb 0.07 0.61 0.02 0.00 -1.47 0.00 0.00 33.84 33.07 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 -1.09 5.56 0.34 -1.34 1.04 -0.94 -4.95 113.70 112.31 1ug3 s SER 1476Ca 0.43 1.92 0.12 0.00 0.48 0.00 0.00 55.95 58.91 1ug3 s SER 1476Cb 0.23 -2.55 0.59 0.00 0.10 0.00 0.00 66.02 64.40 1ug3 s SER 1476CO 0.31 -1.32 1.75 0.78 0.98 0.00 0.00 173.24 175.73 1ug3 h ASN 1477N 0.41 0.00 -0.43 7.02 2.35 -1.92 -2.79 115.58 120.23 1ug3 h ASN 1477Ca -0.47 0.00 0.04 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 0.56 0.46 0.19 0.74 -1.65 0.00 0.00 177.43 177.73 1ug3 h THR 1478N 0.00 0.93 -0.31 2.81 2.02 -1.92 0.17 112.91 116.62 1ug3 h THR 1478Ca -0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1ug3 h THR 1478Cb 0.82 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1ug3 h THR 1478CO 0.06 0.07 0.17 0.25 0.37 0.00 0.00 175.52 176.44 1ug3 h LEU 1479N 0.39 0.39 -0.16 2.58 6.46 -1.74 -0.06 115.31 123.16 1ug3 h LEU 1479Ca 0.19 -0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.91 1ug3 h LEU 1479Cb 0.13 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 39.91 1ug3 h LEU 1479CO -0.16 0.37 -0.18 0.58 -0.62 0.00 0.00 178.44 178.43 1ug3 h VAL 1480N 0.38 0.53 -0.16 1.05 2.07 -1.10 0.29 116.25 119.31 1ug3 h VAL 1480Ca 0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 1ug3 h VAL 1480Cb 0.07 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1ug3 h VAL 1480CO -0.02 0.00 0.08 0.03 0.02 0.00 0.00 177.57 177.69 1ug3 h ARG 1481N -0.21 0.23 -0.39 1.57 3.08 -0.44 -0.25 114.38 117.96 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 0.37 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1ug3 h ARG 1481CO -0.29 0.25 0.22 0.00 -1.07 0.00 0.00 179.97 179.08 1ug3 h ALA 1482N 0.97 0.50 -0.26 0.04 0.00 -0.72 -0.04 119.26 119.74 1ug3 h ALA 1482Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ug3 h ALA 1482Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ug3 h ALA 1482CO -0.01 0.02 0.16 1.25 0.00 0.00 0.00 179.25 180.68 1ug3 h LEU 1483N 0.50 0.31 -0.42 0.00 6.46 -0.30 0.45 115.31 122.30 1ug3 h LEU 1483Ca 0.14 -0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1ug3 h LEU 1483Cb 0.05 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.88 1ug3 h LEU 1483CO -0.02 0.25 0.24 -0.03 -0.62 0.00 0.00 178.44 178.26 1ug3 h MET 1484N 0.34 0.48 0.10 1.25 4.05 -0.82 -0.06 114.93 120.27 1ug3 h MET 1484Ca 0.09 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 1ug3 h MET 1484Cb -0.01 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.69 1ug3 h MET 1484CO -0.02 0.32 -0.05 1.15 0.23 0.00 0.00 176.91 178.54 1ug3 h THR 1485N 0.49 0.97 -0.29 -0.77 2.02 -0.59 -0.28 112.91 114.47 1ug3 h THR 1485Ca 0.17 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1ug3 h THR 1485Cb 0.02 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1ug3 h THR 1485CO -0.08 0.07 0.19 0.00 0.37 0.00 0.00 175.52 176.06 1ug3 h ALA 1486N 0.62 0.37 -0.20 6.16 0.00 -0.77 0.72 119.26 126.16 1ug3 h ALA 1486Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ug3 h ALA 1486Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ug3 h ALA 1486CO 0.02 -0.15 0.09 0.28 0.00 0.00 0.00 179.25 179.49 1ug3 h VAL 1487N 0.38 1.15 -0.58 0.00 2.07 -0.94 -0.05 116.25 118.29 1ug3 h VAL 1487Ca 0.11 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 1ug3 h VAL 1487Cb -0.02 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1ug3 h VAL 1487CO -0.02 0.14 0.09 0.00 0.02 0.00 0.00 177.57 177.80 1ug3 h TYR 1489N 0.88 0.80 0.00 0.00 3.20 -0.53 -1.42 116.97 119.90 1ug3 h TYR 1489Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1ug3 h TYR 1489Cb 0.39 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.40 1ug3 h TYR 1489CO 0.02 0.56 0.00 0.66 -1.64 0.00 0.00 178.16 177.77 1ug3 h SER 1490N 0.80 0.00 -0.35 -2.11 4.64 -0.62 -1.56 113.55 114.34 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 -1.80 2.44 -2.53 5.18 0.00 -0.54 -4.93 120.51 118.33 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 -1.54 4.80 -0.36 0.00 1.01 -0.59 -0.37 121.20 124.15 1ug3 s ILE 1492Ca 0.38 1.77 -0.11 0.00 0.00 0.00 0.00 60.65 62.68 1ug3 s ILE 1492Cb 0.22 -4.18 0.01 0.00 0.01 0.00 0.00 42.46 38.51 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 0.42 4.80 -1.44 2.92 1.01 0.54 -4.90 121.20 124.56 1ug3 s ILE 1493Ca 0.43 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 60.35 1ug3 s ILE 1493Cb -0.20 -3.58 0.05 0.00 0.01 0.00 0.00 42.46 38.74 1ug3 s ILE 1493CO 0.24 -0.13 2.27 0.49 0.00 0.00 0.00 174.94 177.81 1ug3 n PHE 1494N 5.03 3.19 -3.65 3.97 3.01 -1.26 -2.20 117.46 125.55 1ug3 n PHE 1494Ca -0.12 -2.95 -0.05 0.00 1.01 0.00 0.00 57.45 55.34 1ug3 n PHE 1494Cb 0.48 -2.38 -0.00 0.00 -0.01 0.00 0.00 39.48 37.57 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 5.01 1.40 -3.93 -1.08 1.02 -1.26 -4.86 120.64 116.94 1ug3 n GLU 1495Ca 0.54 -0.67 -0.30 0.00 -0.02 0.00 0.00 57.16 56.70 1ug3 n GLU 1495Cb 0.35 0.09 -0.15 0.00 -0.02 0.00 0.00 31.44 31.71 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 -0.63 1.55 0.95 2.62 2.01 -1.26 -2.50 115.64 118.39 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 0.20 0.00 0.01 0.00 0.00 72.50 70.81 1ug3 s THR 1496CO 0.03 -0.22 1.31 -2.16 -0.69 0.00 0.00 174.62 172.89 1ug3 s PRO 1497N 1.36 0.67 0.42 4.92 0.04 -1.26 -5.13 135.00 136.01 1ug3 s PRO 1497Ca -0.02 -0.46 -0.23 0.00 0.04 0.00 0.00 61.00 60.32 1ug3 s PRO 1497Cb -0.19 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 1ug3 s PRO 1497CO -0.08 -2.38 1.06 -0.51 0.04 0.00 0.00 177.00 175.12 1ug3 s LEU 1498N -5.86 4.09 0.22 -3.56 1.43 -1.04 -4.94 118.68 109.01 1ug3 s LEU 1498Ca 0.74 2.04 -0.00 0.00 -1.03 0.00 0.00 54.13 55.88 1ug3 s LEU 1498Cb -0.04 -4.24 -0.04 0.00 0.03 0.00 0.00 46.19 41.90 1ug3 s LEU 1498CO 0.53 -0.56 0.12 0.00 0.23 0.00 0.00 176.35 176.66 1ug3 s ARG 1499N -2.62 1.25 -0.17 1.70 1.70 -0.94 -4.96 118.95 114.93 1ug3 s ARG 1499Ca 0.60 -1.66 -0.06 0.00 -0.47 0.00 0.00 55.73 54.13 1ug3 s ARG 1499Cb -0.22 0.12 -0.04 0.00 -0.57 0.00 0.00 34.95 34.25 1ug3 s ARG 1499CO 0.27 -0.36 0.04 0.08 -1.08 0.00 0.00 175.30 174.25 1ug3 s VAL 1500N -4.04 4.60 -0.83 4.99 1.01 -1.26 -0.34 120.40 124.53 1ug3 s VAL 1500Ca 0.38 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.05 1ug3 s VAL 1500Cb 0.07 -3.05 0.10 0.00 0.00 0.00 0.00 36.38 33.51 1ug3 s VAL 1500CO 0.12 0.48 1.07 -0.62 0.00 0.00 0.00 175.10 176.16 1ug3 s ASP 1501N 0.23 6.44 0.60 3.32 -1.08 0.50 -4.86 116.67 121.82 1ug3 s ASP 1501Ca 0.03 -1.61 0.30 0.00 -0.52 0.00 0.00 52.55 50.75 1ug3 s ASP 1501Cb -0.13 -2.41 1.81 0.00 -1.46 0.00 0.00 42.92 40.74 1ug3 s ASP 1501CO 0.01 -1.23 2.21 -0.37 0.52 0.00 0.00 175.17 176.31 1ug3 h VAL 1502N 5.94 0.47 -0.36 1.11 -1.51 -1.96 -0.94 116.25 118.99 1ug3 h VAL 1502Ca -0.01 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.39 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 1.15 0.00 -0.07 0.00 -1.23 0.00 0.00 177.57 177.43 1ug3 h ALA 1503N 1.92 1.20 -0.24 5.19 0.00 -1.98 -0.60 119.26 124.76 1ug3 h ALA 1503Ca 0.03 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1ug3 h ALA 1503Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ug3 h ALA 1503CO -0.00 0.52 -0.03 0.28 0.00 0.00 0.00 179.25 180.02 1ug3 h VAL 1504N 0.57 1.27 0.07 0.00 2.07 -1.56 -1.70 116.25 116.97 1ug3 h VAL 1504Ca 0.11 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1ug3 h VAL 1504Cb 0.46 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 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 0.20 -0.15 -0.62 2.57 3.38 -1.41 -1.19 115.31 118.08 1ug3 h LEU 1505Ca 0.06 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.16 1ug3 h LEU 1505Cb 0.47 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 1ug3 h LEU 1505CO 0.02 -0.09 0.20 0.50 0.09 0.00 0.00 178.44 179.15 1ug3 h LYS 1506N -0.14 0.34 0.00 1.13 3.64 -1.05 0.33 116.57 120.83 1ug3 h LYS 1506Ca -0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1ug3 h LYS 1506Cb 0.13 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1ug3 h LYS 1506CO -0.01 0.23 -0.10 0.00 -2.27 0.00 0.00 179.45 177.30 1ug3 h ALA 1507N 1.46 1.65 -0.01 5.00 0.00 -0.76 -2.71 119.26 123.89 1ug3 h ALA 1507Ca 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ug3 h ALA 1507Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ug3 h ALA 1507CO -0.36 0.12 -0.64 0.54 0.00 0.00 0.00 179.25 178.91 1ug3 n ARG 1508N -4.15 0.85 -0.30 0.00 5.12 0.21 -4.59 116.66 113.79 1ug3 n ARG 1508Ca -0.03 -0.68 0.05 0.00 -1.93 0.00 0.00 57.85 55.27 1ug3 n ARG 1508Cb 0.18 -1.48 0.14 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 0.66 -0.51 7.54 0.00 -0.13 0.16 119.26 130.56 1ug3 h ALA 1509Ca 0.00 0.32 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1ug3 h ALA 1509Cb 0.67 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1ug3 h ALA 1509CO 0.00 -0.42 0.14 0.87 0.00 0.00 0.00 179.25 179.84 1ug3 h LYS 1510N 0.02 0.76 -0.17 0.00 6.56 -1.81 0.44 116.57 122.36 1ug3 h LYS 1510Ca 0.43 -0.14 -0.01 0.00 -1.06 0.00 0.00 60.65 59.88 1ug3 h LYS 1510Cb 0.70 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.23 1ug3 h LYS 1510CO -0.84 0.67 0.08 1.25 -2.06 0.00 0.00 179.45 178.55 1ug3 h LEU 1511N 0.74 0.23 -0.29 2.94 6.46 -1.02 -2.53 115.31 121.84 1ug3 h LEU 1511Ca 0.17 -0.12 -0.08 0.00 -0.12 0.00 0.00 57.88 57.72 1ug3 h LEU 1511Cb 0.24 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 1ug3 h LEU 1511CO -0.01 0.29 -0.13 -0.07 -0.62 0.00 0.00 178.44 177.90 1ug3 h LEU 1512N 0.15 0.61 -1.22 2.25 3.38 -0.98 -3.14 115.31 116.37 1ug3 h LEU 1512Ca 0.06 -0.41 0.12 0.00 0.09 0.00 0.00 57.88 57.74 1ug3 h LEU 1512Cb 0.12 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1ug3 h LEU 1512CO -0.01 0.88 0.58 1.56 0.09 0.00 0.00 178.44 181.54 1ug3 h GLN 1513N 0.34 0.79 -0.53 1.13 4.20 -0.87 0.25 115.11 120.42 1ug3 h GLN 1513Ca 0.06 -0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.81 1ug3 h GLN 1513Cb 0.65 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 28.18 1ug3 h GLN 1513CO 0.04 0.52 0.14 -0.22 -0.67 0.00 0.00 178.83 178.65 1ug3 h LYS 1514N 0.81 0.29 0.00 1.46 3.11 -1.40 -2.94 116.57 117.90 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 0.55 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.68 1ug3 h LYS 1514CO -0.20 0.19 -1.70 0.66 -2.81 0.00 0.00 179.45 175.59 1ug3 n TYR 1515N -5.07 0.67 -1.88 1.91 4.01 -0.80 -4.16 117.16 111.84 1ug3 n TYR 1515Ca 0.06 0.22 -0.40 0.00 -0.16 0.00 0.00 57.90 57.62 1ug3 n TYR 1515Cb 0.25 -1.00 -0.01 0.00 -0.31 0.00 0.00 39.34 38.27 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 -2.79 7.94 -0.04 7.72 4.32 0.83 -4.67 117.00 130.30 1ug3 n LEU 1516Ca -0.14 -4.70 0.16 0.00 -0.02 0.00 0.00 56.01 51.30 1ug3 n LEU 1516Cb 0.88 -1.44 0.88 0.00 -1.62 0.00 0.00 43.42 42.12 1ug3 n LEU 1516CO 0.43 1.91 1.07 0.00 -1.22 0.00 0.00 177.39 179.59 1ug3 s ASP 1518N -2.09 -0.24 0.26 0.00 1.47 -1.26 -5.04 116.67 109.77 1ug3 s ASP 1518Ca 0.44 -0.53 -0.01 0.00 1.18 0.00 0.00 52.55 53.63 1ug3 s ASP 1518Cb 0.22 0.58 0.55 0.00 -0.34 0.00 0.00 42.92 43.93 1ug3 s ASP 1518CO 0.38 -1.07 1.75 -0.08 0.68 0.00 0.00 175.17 176.83 1ug3 h GLU 1519N 2.20 0.54 -0.03 2.11 4.81 -1.99 0.61 114.58 122.84 1ug3 h GLU 1519Ca -0.28 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.95 1ug3 h GLU 1519Cb 1.26 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 1ug3 h GLU 1519CO 0.37 0.36 -0.19 1.96 -0.73 0.00 0.00 179.01 180.78 1ug3 h GLN 1520N 0.56 -0.28 -0.46 1.92 1.08 -1.99 0.71 115.11 116.65 1ug3 h GLN 1520Ca 0.47 0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.60 1ug3 h GLN 1520Cb 0.72 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.19 1ug3 h GLN 1520CO -0.40 -0.19 -0.09 0.87 -0.95 0.00 0.00 178.83 178.08 1ug3 h LYS 1521N -0.29 0.82 -0.48 1.46 1.57 -1.65 -0.88 116.57 117.12 1ug3 h LYS 1521Ca 0.07 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1ug3 h LYS 1521Cb 0.38 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1ug3 h LYS 1521CO -0.20 0.88 0.31 0.93 -0.57 0.00 0.00 179.45 180.81 1ug3 h GLU 1522N 0.74 0.64 -0.22 3.15 5.08 -0.57 0.67 114.58 124.08 1ug3 h GLU 1522Ca 0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1ug3 h GLU 1522Cb 0.58 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1ug3 h GLU 1522CO 0.04 0.44 0.14 1.25 -1.00 0.00 0.00 179.01 179.87 1ug3 h LEU 1523N 0.65 0.25 -1.27 1.33 6.46 -0.45 0.07 115.31 122.35 1ug3 h LEU 1523Ca 0.17 -0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.97 1ug3 h LEU 1523Cb -0.05 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 39.77 1ug3 h LEU 1523CO -0.04 0.20 0.52 -0.61 -0.62 0.00 0.00 178.44 177.90 1ug3 h GLN 1524N 0.28 0.86 -0.49 1.25 5.75 -0.74 -0.83 115.11 121.19 1ug3 h GLN 1524Ca 0.08 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.44 1ug3 h GLN 1524Cb -0.02 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 1ug3 h GLN 1524CO -0.02 0.57 -0.03 0.00 -2.65 0.00 0.00 178.83 176.70 1ug3 h ALA 1525N 1.56 0.67 -0.84 3.38 0.00 0.16 -2.22 119.26 121.97 1ug3 h ALA 1525Ca 0.34 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ug3 h ALA 1525Cb 0.21 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1ug3 h ALA 1525CO -0.12 0.51 0.53 -0.07 0.00 0.00 0.00 179.25 180.10 1ug3 h LEU 1526N 0.75 0.98 -0.39 0.00 3.38 0.27 -0.17 115.31 120.13 1ug3 h LEU 1526Ca 0.14 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1ug3 h LEU 1526Cb 0.56 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1ug3 h LEU 1526CO 0.03 0.74 0.23 1.88 0.09 0.00 0.00 178.44 181.41 1ug3 h TYR 1527N 1.14 0.44 -0.07 1.13 0.05 -0.94 0.72 116.97 119.44 1ug3 h TYR 1527Ca 0.30 0.01 0.01 0.00 0.05 0.00 0.00 58.73 59.11 1ug3 h TYR 1527Cb -0.09 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.50 1ug3 h TYR 1527CO -0.01 0.26 -0.00 0.00 -1.05 0.00 0.00 178.16 177.35 1ug3 h ALA 1528N 1.17 0.06 -0.96 3.88 0.00 -0.79 -0.09 119.26 122.53 1ug3 h ALA 1528Ca 0.16 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1ug3 h ALA 1528Cb 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1ug3 h ALA 1528CO -0.07 -0.48 0.62 1.25 0.00 0.00 0.00 179.25 180.57 1ug3 h LEU 1529N 0.02 0.99 -0.05 0.00 5.85 -0.68 -0.87 115.31 120.57 1ug3 h LEU 1529Ca 0.03 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1ug3 h LEU 1529Cb 0.04 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 1ug3 h LEU 1529CO -0.06 0.64 0.03 -0.61 -0.34 0.00 0.00 178.44 178.10 1ug3 h GLN 1530N 1.14 0.07 -0.45 1.25 4.15 -0.13 -0.95 115.11 120.19 1ug3 h GLN 1530Ca 0.41 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.84 1ug3 h GLN 1530Cb 0.13 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 1ug3 h GLN 1530CO -0.16 0.15 0.30 0.00 -1.93 0.00 0.00 178.83 177.18 1ug3 h ALA 1531N 0.92 1.78 0.63 3.38 0.00 -0.45 -0.17 119.26 125.35 1ug3 h ALA 1531Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ug3 h ALA 1531Cb 0.10 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ug3 h ALA 1531CO -0.00 0.17 -0.30 1.25 0.00 0.00 0.00 179.25 180.37 1ug3 h LEU 1532N 0.52 -0.71 -1.81 0.00 6.46 -0.47 -1.96 115.31 117.33 1ug3 h LEU 1532Ca 0.18 -0.01 0.08 0.00 -0.12 0.00 0.00 57.88 58.00 1ug3 h LEU 1532Cb 0.07 0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 1ug3 h LEU 1532CO -0.04 -0.43 0.29 0.58 -0.62 0.00 0.00 178.44 178.21 1ug3 h VAL 1533N -0.97 0.90 -0.40 1.05 2.07 -0.68 -0.23 116.25 118.00 1ug3 h VAL 1533Ca -0.09 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1ug3 h VAL 1533Cb 0.68 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1ug3 h VAL 1533CO 0.14 0.04 0.20 0.58 0.02 0.00 0.00 177.57 178.55 1ug3 h VAL 1534N 0.22 1.17 0.00 2.57 2.07 -0.71 -1.76 116.25 119.81 1ug3 h VAL 1534Ca 0.19 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1ug3 h VAL 1534Cb 0.46 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1ug3 h VAL 1534CO -0.03 0.18 0.00 0.71 0.02 0.00 0.00 177.57 178.44 1ug3 h THR 1535N 0.50 0.00 -0.28 2.57 1.35 -0.28 0.21 112.91 116.99 1ug3 h THR 1535Ca 0.14 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1ug3 h THR 1535Cb 0.10 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 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 -2.96 1.76 -2.88 3.87 4.77 -0.69 -4.11 117.00 116.76 1ug3 n LEU 1536Ca -0.01 -0.88 -0.12 0.00 -0.03 0.00 0.00 56.01 54.96 1ug3 n LEU 1536Cb 0.15 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 41.04 1ug3 n LEU 1536CO 0.21 0.39 0.05 -0.62 -1.33 0.00 0.00 177.39 176.09 1ug3 n GLU 1537N 0.33 -2.97 -3.61 3.23 1.02 0.73 -3.95 120.64 115.42 1ug3 n GLU 1537Ca 0.10 0.67 -0.11 0.00 -0.02 0.00 0.00 57.16 57.81 1ug3 n GLU 1537Cb 0.31 -4.98 -0.00 0.00 -0.02 0.00 0.00 31.44 26.75 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 -3.06 -0.89 -0.74 3.49 1.13 -1.04 -4.82 117.38 111.45 1ug3 n GLN 1538Ca -0.12 -0.29 -0.32 0.00 -1.94 0.00 0.00 57.00 54.33 1ug3 n GLN 1538Cb 0.61 -0.09 0.14 0.00 0.11 0.00 0.00 30.24 31.01 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 -1.91 -0.37 -1.68 -1.09 -0.04 -1.25 -4.79 135.00 123.86 1ug3 n PRO 1539Ca -0.04 -0.06 -0.46 0.00 -0.04 0.00 0.00 63.50 62.90 1ug3 n PRO 1539Cb 0.14 -2.10 -0.04 0.00 -0.04 0.00 0.00 33.50 31.47 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 -2.87 2.40 -3.86 0.54 -0.04 -1.26 -3.63 135.00 126.27 1ug3 n PRO 1540Ca 0.09 0.88 -0.30 0.00 -0.04 0.00 0.00 63.50 64.13 1ug3 n PRO 1540Cb 0.53 -2.75 -0.06 0.00 -0.04 0.00 0.00 33.50 31.18 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 6.78 -1.53 0.11 3.54 0.23 -1.26 -4.82 115.26 118.31 1ug3 n ASN 1541Ca 0.22 -0.75 -0.17 0.00 -0.53 0.00 0.00 54.58 53.34 1ug3 n ASN 1541Cb 0.33 -1.36 -0.13 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 -0.61 0.55 -0.90 -4.53 5.85 -1.94 -3.18 115.31 110.55 1ug3 h LEU 1542Ca -0.42 -0.55 0.03 0.00 0.84 0.00 0.00 57.88 57.77 1ug3 h LEU 1542Cb 1.22 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1ug3 h LEU 1542CO 0.63 1.41 0.59 0.25 -0.34 0.00 0.00 178.44 180.98 1ug3 h LEU 1543N 0.13 0.99 -1.23 2.25 5.85 -1.87 -0.73 115.31 120.68 1ug3 h LEU 1543Ca -0.15 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 1ug3 h LEU 1543Cb 1.94 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.72 1ug3 h LEU 1543CO 0.21 0.69 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.87 1ug3 h ARG 1544N 1.16 0.47 -0.38 1.25 1.12 -1.96 0.13 114.38 116.18 1ug3 h ARG 1544Ca 0.35 -0.11 -0.09 0.00 -1.11 0.00 0.00 59.98 59.02 1ug3 h ARG 1544Cb -0.03 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 29.85 1ug3 h ARG 1544CO -0.11 0.53 -0.16 0.52 -3.11 0.00 0.00 179.97 177.65 1ug3 h MET 1545N 0.45 0.69 -0.18 0.20 2.86 -1.14 -0.55 114.93 117.26 1ug3 h MET 1545Ca 0.09 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.40 1ug3 h MET 1545Cb 0.37 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1ug3 h MET 1545CO 0.02 0.81 -0.26 0.74 1.06 0.00 0.00 176.91 179.28 1ug3 h PHE 1546N 0.62 0.60 -0.39 -0.22 0.04 -0.51 -2.84 116.94 114.23 1ug3 h PHE 1546Ca 0.10 -0.20 0.08 0.00 2.80 0.00 0.00 57.97 60.75 1ug3 h PHE 1546Cb 0.62 -0.12 -0.07 0.00 2.20 0.00 0.00 35.95 38.58 1ug3 h PHE 1546CO 0.03 0.89 -0.09 0.74 -0.60 0.00 0.00 178.31 179.29 1ug3 h PHE 1547N 0.13 -0.19 0.01 -0.55 -1.00 -0.37 0.77 116.94 115.74 1ug3 h PHE 1547Ca 0.02 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.85 1ug3 h PHE 1547Cb 0.83 0.14 -0.03 0.00 3.61 0.00 0.00 35.95 40.51 1ug3 h PHE 1547CO 0.09 -0.16 -0.13 -0.44 -1.61 0.00 0.00 178.31 176.06 1ug3 h ASP 1548N 0.01 -0.38 -0.49 2.17 3.32 -1.12 0.18 116.42 120.11 1ug3 h ASP 1548Ca 0.19 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1ug3 h ASP 1548Cb 0.29 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1ug3 h ASP 1548CO -0.39 -0.19 0.31 0.00 -1.72 0.00 0.00 179.24 177.25 1ug3 h ALA 1549N 0.73 0.63 -0.77 3.45 0.00 -1.20 0.25 119.26 122.34 1ug3 h ALA 1549Ca 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ug3 h ALA 1549Cb 0.28 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1ug3 h ALA 1549CO -0.12 0.10 0.40 -0.07 0.00 0.00 0.00 179.25 179.56 1ug3 h LEU 1550N 0.66 0.98 -0.29 0.00 3.38 -0.53 0.23 115.31 119.75 1ug3 h LEU 1550Ca 0.18 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1ug3 h LEU 1550Cb -0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1ug3 h LEU 1550CO -0.04 0.82 -0.08 0.22 0.09 0.00 0.00 178.44 179.45 1ug3 h TYR 1551N 1.08 0.64 -0.50 1.13 3.20 -0.29 -0.49 116.97 121.74 1ug3 h TYR 1551Ca 0.27 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1ug3 h TYR 1551Cb 0.07 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 1ug3 h TYR 1551CO 0.00 0.77 0.31 -0.44 -1.64 0.00 0.00 178.16 177.17 1ug3 h ASP 1552N 0.33 0.58 -0.08 -2.11 3.32 0.14 -1.72 116.42 116.88 1ug3 h ASP 1552Ca 0.07 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1ug3 h ASP 1552Cb 0.57 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1ug3 h ASP 1552CO 0.03 0.44 0.00 -0.62 -1.72 0.00 0.00 179.24 177.37 1ug3 n GLU 1553N -4.44 1.53 -1.86 3.56 -0.58 0.75 -4.90 120.64 114.70 1ug3 n GLU 1553Ca 0.04 -0.79 -0.12 0.00 -0.42 0.00 0.00 57.16 55.87 1ug3 n GLU 1553Cb 0.07 -1.41 -0.02 0.00 -0.57 0.00 0.00 31.44 29.50 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 -0.01 -4.07 0.07 1.62 -0.08 -0.65 -4.90 116.55 108.53 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 0.28 -3.01 -0.15 0.00 2.34 0.00 0.00 41.12 40.58 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 -1.32 -3.45 116.25 116.55 1ug3 h VAL 1555Ca -0.27 -2.51 -0.61 0.00 0.82 0.00 0.00 66.70 64.14 1ug3 h VAL 1555Cb 1.03 2.79 -0.35 0.00 -1.52 0.00 0.00 31.29 33.24 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 1.64 0.58 2.57 1.01 -1.14 -4.85 120.40 117.64 1ug3 s VAL 1556Ca -0.16 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 1ug3 s VAL 1556Cb 0.05 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1ug3 s VAL 1556CO 0.85 0.47 0.89 -0.54 0.00 0.00 0.00 175.10 176.76 1ug3 s LYS 1557N 1.24 3.00 0.25 2.72 3.01 -1.26 -4.28 119.74 124.42 1ug3 s LYS 1557Ca 0.00 0.02 -0.05 0.00 -1.01 0.00 0.00 55.97 54.93 1ug3 s LYS 1557Cb -0.14 -2.29 0.48 0.00 -1.01 0.00 0.00 37.83 34.87 1ug3 s LYS 1557CO -0.07 -0.64 1.67 0.93 0.51 0.00 0.00 175.35 177.75 1ug3 h GLU 1558N -0.12 0.22 -0.88 1.68 5.08 -1.99 -2.08 114.58 116.48 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 30.41 1ug3 h GLU 1558CO 0.61 0.14 0.54 -0.44 -1.00 0.00 0.00 179.01 178.86 1ug3 h ASP 1559N 0.22 1.05 -0.65 1.42 5.19 -1.99 0.98 116.42 122.64 1ug3 h ASP 1559Ca 0.42 -0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.74 1ug3 h ASP 1559Cb 0.75 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.96 1ug3 h ASP 1559CO -0.56 0.80 0.28 0.00 -3.12 0.00 0.00 179.24 176.64 1ug3 h ALA 1560N 1.30 1.22 -0.48 3.45 0.00 -1.70 0.28 119.26 123.32 1ug3 h ALA 1560Ca 0.32 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ug3 h ALA 1560Cb -0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1ug3 h ALA 1560CO -0.06 0.57 0.08 0.74 0.00 0.00 0.00 179.25 180.58 1ug3 h PHE 1561N 0.97 0.85 0.13 0.00 0.04 -1.02 0.10 116.94 118.01 1ug3 h PHE 1561Ca 0.23 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.90 1ug3 h PHE 1561Cb 0.17 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 1ug3 h PHE 1561CO 0.01 0.78 -0.21 -0.92 -0.60 0.00 0.00 178.31 177.37 1ug3 h TYR 1562N 0.67 -0.56 -0.80 -0.55 5.03 -0.07 -2.00 116.97 118.70 1ug3 h TYR 1562Ca 0.15 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.48 1ug3 h TYR 1562Cb 0.39 0.23 -0.04 0.00 1.55 0.00 0.00 36.73 38.86 1ug3 h TYR 1562CO 0.03 -0.31 0.53 0.77 -1.32 0.00 0.00 178.16 177.86 1ug3 h SER 1563N -0.41 0.90 -0.72 -2.11 0.02 -0.82 -1.83 113.55 108.58 1ug3 h SER 1563Ca 0.02 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1ug3 h SER 1563Cb 0.42 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1ug3 h SER 1563CO -0.10 0.65 0.42 -0.25 -1.14 0.00 0.00 176.83 176.40 1ug3 h TRP 1564N 1.06 0.98 -0.38 3.45 7.01 -0.50 -1.85 115.95 125.72 1ug3 h TRP 1564Ca 0.30 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.40 1ug3 h TRP 1564Cb -0.09 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 26.64 1ug3 h TRP 1564CO -0.00 0.67 0.49 0.93 -2.79 0.00 0.00 178.44 177.74 1ug3 h GLU 1565N 1.02 0.00 0.00 2.65 4.39 -0.60 -3.51 114.58 118.52 1ug3 h GLU 1565Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1ug3 h GLU 1565Cb -0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ug3 h GLU 1565CO -0.05 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.23