============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. HIS 7 0.900 10.544 96.391 6.771 -99.200 -91.000 PHE 14 1.000 13.187 92.467 21.066 -99.200 -91.000 HIS 17 0.900 14.610 94.171 15.676 -99.200 -91.000 PHE 64 1.000 49.048 78.316 31.133 -99.200 -91.000 HIS 66 0.900 42.451 70.276 30.308 -99.200 -91.000 HIS 69 0.900 54.483 77.371 33.897 -99.200 -91.000 TYR 71 0.840 50.310 70.653 24.542 -99.200 -91.000 HIS 72 0.900 48.709 75.486 28.095 -99.200 -91.000 PHE 86 1.000 47.860 84.946 7.531 -99.200 -91.000 TYR 93 0.840 49.739 91.442 11.690 -99.200 -91.000 TYR 136 0.840 46.735 53.754 42.235 -99.200 -91.000 TRP 146 1.040 45.795 61.226 42.191 -99.200 -91.000 TRP6 146 1.020 45.756 63.492 41.659 -99.200 -91.000 TYR 149 0.840 39.308 69.669 48.517 -99.200 -91.000 TYR 163 0.840 27.154 66.402 39.679 -99.200 -91.000 PHE 180 1.000 38.546 54.256 50.716 -99.200 -91.000 PHE 190 1.000 34.128 57.245 25.338 -99.200 -91.000 PHE 219 1.000 54.510 80.013 30.953 -99.200 -91.000 PHE 229 1.000 40.327 84.401 28.326 -99.200 -91.000 PHE 232 1.000 35.765 77.225 39.154 -99.200 -91.000 HIS 240 0.900 40.577 94.436 44.664 -99.200 -91.000 HIS 262 0.900 23.890 80.694 44.176 -99.200 -91.000 PHE 268 1.000 28.657 90.608 36.882 -99.200 -91.000 PHE 295 1.000 16.823 81.416 31.302 -99.200 -91.000 TYR 358 0.840 34.089 67.455 11.194 -99.200 -91.000 HIS 367 0.900 32.924 85.629 9.678 -99.200 -91.000 PHE 378 1.000 13.976 97.693 18.007 -99.200 -91.000 HIS 379 0.900 22.692 97.545 15.532 -99.200 -91.000 PHE 383 1.000 22.923 105.987 20.690 -99.200 -91.000 HIS 392 0.900 26.212 107.327 35.377 -99.200 -91.000 TYR 409 0.840 22.904 103.607 15.584 -99.200 -91.000 HIS 427 0.900 38.985 99.940 24.359 -99.200 -91.000 TYR 432 0.840 27.757 105.167 24.908 -99.200 -91.000 HIS 445 0.900 52.826 96.164 17.032 -99.200 -91.000 HIS 452 0.900 41.385 91.104 17.697 -99.200 -91.000 TYR 454 0.840 37.552 96.801 24.946 -99.200 -91.000 PHE 458 1.000 35.938 94.382 12.073 -99.200 -91.000 TRP 470 1.040 47.671 116.047 15.259 -99.200 -91.000 TRP6 470 1.020 48.193 114.088 16.489 -99.200 -91.000 PHE 490 1.000 35.484 95.294 6.989 -99.200 -91.000 PHE 491 1.000 35.766 101.599 4.179 -99.200 -91.000 TRP 503 1.040 42.256 121.210 16.512 -99.200 -91.000 TRP6 503 1.020 41.041 121.084 14.477 -99.200 -91.000 PHE 509 1.000 38.377 114.177 24.194 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1a49C1 ILE 1212 HA -0.01 -0.11 0.25 -0.75 4.18 3.55 1a49C1 ILE 1212 HB -0.01 -0.02 0.07 -0.04 1.89 1.89 1a49C1 ILE 1212 HG12 -0.01 -0.01 0.06 -0.04 1.49 1.49 1a49C1 ILE 1212 HG13 -0.01 -0.04 0.04 -0.04 1.21 1.16 1a49C1 ILE 1212 HG23 -0.00 0.01 -0.17 -0.04 0.93 0.73 1a49C1 ILE 1212 HD13 -0.00 0.01 0.00 -0.04 0.88 0.85 1a49C1 GLN 1213 H -0.02 0.13 0.14 -0.55 8.47 8.18 1a49C1 GLN 1213 HA -0.02 0.14 0.92 -0.75 4.36 4.65 1a49C1 GLN 1213 HB2 -0.02 0.05 0.08 -0.04 2.15 2.22 1a49C1 GLN 1213 HB3 -0.01 -0.09 -0.01 -0.04 2.02 1.86 1a49C1 GLN 1213 HG2 -0.05 0.03 -0.11 -0.04 2.40 2.24 1a49C1 GLN 1213 HG3 -0.05 -0.04 -0.04 -0.04 2.39 2.21 1a49C1 GLN 1213 HE21 -0.14 0.01 -0.05 -0.04 6.97 6.76 1a49C1 GLN 1213 HE22 -0.11 -0.03 -0.08 -0.04 7.69 7.43 1a49C1 THR 1214 H 0.00 0.20 0.19 -0.55 8.28 8.12 1a49C1 THR 1214 HA 0.01 0.15 0.85 -0.75 4.39 4.64 1a49C1 THR 1214 HB 0.00 -0.06 -0.46 -0.04 4.32 3.77 1a49C1 THR 1214 HG23 0.01 0.01 -0.12 -0.04 1.22 1.07 1a49C1 GLN 1215 H 0.01 0.65 -0.11 -0.55 8.47 8.48 1a49C1 GLN 1215 HA 0.02 0.07 0.21 -0.75 4.36 3.91 1a49C1 GLN 1215 HB2 0.02 0.03 -0.65 -0.04 2.15 1.50 1a49C1 GLN 1215 HB3 0.02 0.05 0.25 -0.04 2.02 2.30 1a49C1 GLN 1215 HG2 0.02 0.01 0.11 -0.04 2.40 2.51 1a49C1 GLN 1215 HG3 0.01 -0.00 0.03 -0.04 2.39 2.39 1a49C1 GLN 1215 HE21 0.00 0.06 -0.01 -0.04 6.97 6.98 1a49C1 GLN 1215 HE22 0.01 -0.05 -0.08 -0.04 7.69 7.53 1a49C1 GLN 1216 H 0.01 0.03 -0.33 -0.55 8.47 7.64 1a49C1 GLN 1216 HA 0.01 -0.11 0.29 -0.75 4.36 3.79 1a49C1 GLN 1216 HB2 0.04 0.45 -0.03 -0.04 2.15 2.57 1a49C1 GLN 1216 HB3 -0.05 -0.10 0.16 -0.04 2.02 2.00 1a49C1 GLN 1216 HG2 0.01 -0.03 -0.35 -0.04 2.40 1.99 1a49C1 GLN 1216 HG3 -0.01 0.05 -0.18 -0.04 2.39 2.20 1a49C1 GLN 1216 HE21 -0.02 0.44 0.18 -0.04 6.97 7.53 1a49C1 GLN 1216 HE22 -0.01 0.07 0.04 -0.04 7.69 7.75 1a49C1 LEU 1217 H 0.03 0.38 -0.38 -0.55 8.37 7.85 1a49C1 LEU 1217 HA 0.05 0.16 0.37 -0.75 4.35 4.18 1a49C1 LEU 1217 HB2 0.03 -0.03 0.14 -0.04 1.64 1.74 1a49C1 LEU 1217 HB3 0.03 -0.03 0.11 -0.04 1.64 1.71 1a49C1 LEU 1217 HG 0.02 0.13 0.07 -0.04 1.64 1.82 1a49C1 LEU 1217 HD13 0.01 -0.01 0.03 -0.04 0.93 0.92 1a49C1 LEU 1217 HD23 0.01 0.00 0.04 -0.04 0.89 0.90 1a49C1 HIS 1218 H 0.12 0.01 -0.31 -0.55 8.41 7.68 1a49C1 HIS 1218 HA -0.01 0.10 0.37 -0.75 4.63 4.33 1a49C1 HIS 1218 HB2 -0.02 -0.04 0.05 -0.04 3.26 3.21 1a49C1 HIS 1218 HB3 -0.05 0.06 -0.05 -0.04 3.20 3.12 1a49C1 HIS 1218 HD2 -0.01 0.04 0.06 -0.04 6.97 7.01 1a49C1 HIS 1218 HE1 -0.03 -0.04 -0.04 -0.04 7.75 7.60 1a49C1 ALA 1219 H 0.01 0.13 -0.20 -0.55 8.40 7.79 1a49C1 ALA 1219 HA -0.24 0.02 0.61 -0.75 4.34 3.97 1a49C1 ALA 1219 HB3 -0.29 0.09 0.02 -0.04 1.41 1.19 1a49C1 ALA 1220 H 0.04 0.47 -0.19 -0.55 8.40 8.18 1a49C1 ALA 1220 HA 0.17 -0.03 0.42 -0.75 4.34 4.15 1a49C1 ALA 1220 HB3 0.07 0.06 0.16 -0.04 1.41 1.67 1a49C1 MET 1221 H -0.03 0.18 -1.03 -0.55 8.47 7.05 1a49C1 MET 1221 HA 0.05 0.16 0.77 -0.75 4.52 4.75 1a49C1 MET 1221 HB2 -0.05 0.13 0.00 -0.04 2.15 2.19 1a49C1 MET 1221 HB3 0.01 -0.12 0.14 -0.04 2.03 2.01 1a49C1 MET 1221 HG2 0.04 0.22 -0.03 -0.04 2.63 2.81 1a49C1 MET 1221 HG3 0.07 -0.09 0.01 -0.04 2.56 2.51 1a49C1 MET 1221 HE3 0.01 0.03 -0.16 -0.04 2.10 1.95 1a49C1 ALA 1222 H -0.07 0.52 -0.20 -0.55 8.40 8.10 1a49C1 ALA 1222 HA -0.08 0.01 0.50 -0.75 4.34 4.02 1a49C1 ALA 1222 HB3 -0.22 -0.04 -0.13 -0.04 1.41 0.98 1a49C1 ASP 1223 H 0.02 -0.01 0.15 -0.55 8.40 8.01 1a49C1 ASP 1223 HA 0.12 0.26 0.68 -0.75 4.63 4.94 1a49C1 ASP 1223 HB2 0.04 -0.10 0.13 -0.04 2.71 2.74 1a49C1 ASP 1223 HB3 0.05 0.00 0.07 -0.04 2.70 2.78 1a49C1 THR 1224 H 0.06 -0.03 0.09 -0.55 8.28 7.86 1a49C1 THR 1224 HA 0.20 0.24 0.70 -0.75 4.39 4.78 1a49C1 THR 1224 HB 0.10 -0.08 0.13 -0.04 4.32 4.42 1a49C1 THR 1224 HG23 0.07 0.04 -0.05 -0.04 1.22 1.23 1a49C1 PHE 1225 H 0.31 0.21 0.17 -0.55 8.34 8.47 1a49C1 PHE 1225 HA 0.15 0.21 0.41 -0.75 4.62 4.64 1a49C1 PHE 1225 HB2 0.17 0.06 0.13 -0.04 3.15 3.47 1a49C1 PHE 1225 HB3 0.09 -0.04 0.07 -0.04 3.06 3.14 1a49C1 PHE 1225 HD2 0.22 -0.02 -0.07 -0.04 7.28 7.37 1a49C1 PHE 1225 HE2 0.10 0.02 0.00 -0.04 7.38 7.46 1a49C1 PHE 1225 HZ 0.10 0.07 -0.01 -0.04 7.32 7.43 1a49C1 LEU 1226 H 0.14 0.02 -0.19 -0.55 8.37 7.79 1a49C1 LEU 1226 HA 0.03 0.15 0.46 -0.75 4.35 4.23 1a49C1 LEU 1226 HB2 0.08 0.04 0.09 -0.04 1.64 1.82 1a49C1 LEU 1226 HB3 0.05 -0.08 0.10 -0.04 1.64 1.67 1a49C1 LEU 1226 HG -0.01 0.03 -0.22 -0.04 1.64 1.40 1a49C1 LEU 1226 HD13 0.02 0.01 0.02 -0.04 0.93 0.94 1a49C1 LEU 1226 HD23 0.02 0.01 -0.01 -0.04 0.89 0.87 1a49C1 GLU 1227 H -0.03 0.00 -0.15 -0.55 8.60 7.88 1a49C1 GLU 1227 HA -0.09 0.07 0.36 -0.75 4.29 3.88 1a49C1 GLU 1227 HB2 -0.04 -0.19 0.15 -0.04 2.09 1.98 1a49C1 GLU 1227 HB3 -0.10 0.10 -0.01 -0.04 1.99 1.94 1a49C1 GLU 1227 HG2 -0.04 -0.03 0.02 -0.04 2.34 2.26 1a49C1 GLU 1227 HG3 -0.03 -0.01 0.06 -0.04 2.34 2.31 1a49C1 HIS 1228 H -0.24 0.29 -0.55 -0.55 8.41 7.37 1a49C1 HIS 1228 HA -0.47 0.11 0.49 -0.75 4.63 4.00 1a49C1 HIS 1228 HB2 -1.48 0.02 0.03 -0.04 3.26 1.79 1a49C1 HIS 1228 HB3 -0.99 0.08 0.16 -0.04 3.20 2.40 1a49C1 HIS 1228 HD2 -0.89 -0.08 -0.08 -0.04 6.97 5.88 1a49C1 HIS 1228 HE1 -0.10 0.19 -0.31 -0.04 7.75 7.48 1a49C1 MET 1229 H -0.37 0.39 -0.10 -0.55 8.47 7.84 1a49C1 MET 1229 HA -0.38 0.07 0.42 -0.75 4.52 3.88 1a49C1 MET 1229 HB2 -0.19 0.16 0.31 -0.04 2.15 2.39 1a49C1 MET 1229 HB3 -0.12 -0.05 -0.04 -0.04 2.03 1.79 1a49C1 MET 1229 HG2 -0.10 -0.00 0.05 -0.04 2.63 2.54 1a49C1 MET 1229 HG3 -0.23 0.05 0.06 -0.04 2.56 2.40 1a49C1 MET 1229 HE3 0.02 -0.01 -0.02 -0.04 2.10 2.06 1a49C1 CYS 1230 H -0.16 0.49 -0.05 -0.55 8.50 8.23 1a49C1 CYS 1230 HA -0.09 -0.02 0.39 -0.75 4.58 4.11 1a49C1 CYS 1230 HB2 -0.10 0.05 0.08 -0.04 2.97 2.96 1a49C1 CYS 1230 HB3 -0.07 -0.03 -0.03 -0.04 2.97 2.81 1a49C1 ARG 1231 H -0.24 0.28 -0.87 -0.55 8.46 7.08 1a49C1 ARG 1231 HA -0.07 0.12 0.79 -0.75 4.34 4.43 1a49C1 ARG 1231 HB2 -0.26 0.14 0.04 -0.04 1.90 1.79 1a49C1 ARG 1231 HB3 -0.11 -0.15 0.05 -0.04 1.80 1.54 1a49C1 ARG 1231 HG2 -0.11 -0.08 -0.08 -0.04 1.67 1.36 1a49C1 ARG 1231 HG3 -0.19 0.20 -0.02 -0.04 1.67 1.62 1a49C1 ARG 1231 HD2 -0.38 0.03 -0.02 -0.04 3.22 2.80 1a49C1 ARG 1231 HD3 -1.02 -0.05 -0.26 -0.04 3.22 1.85 1a49C1 LEU 1232 H -0.20 0.42 -0.13 -0.55 8.37 7.91 1a49C1 LEU 1232 HA -0.15 0.03 0.63 -0.75 4.35 4.10 1a49C1 LEU 1232 HB2 -0.13 -0.02 0.15 -0.04 1.64 1.60 1a49C1 LEU 1232 HB3 -0.12 -0.02 0.06 -0.04 1.64 1.51 1a49C1 LEU 1232 HG -0.40 0.13 0.21 -0.04 1.64 1.55 1a49C1 LEU 1232 HD13 -0.20 -0.01 0.08 -0.04 0.93 0.75 1a49C1 LEU 1232 HD23 -0.34 0.01 0.05 -0.04 0.89 0.58 1a49C1 ASP 1233 H -0.05 0.20 0.20 -0.55 8.40 8.20 1a49C1 ASP 1233 HA -0.03 0.15 0.93 -0.75 4.63 4.92 1a49C1 ASP 1233 HB2 -0.01 0.15 -0.06 -0.04 2.71 2.75 1a49C1 ASP 1233 HB3 -0.01 -0.02 0.13 -0.04 2.70 2.76 1a49C1 ILE 1234 H -0.02 0.19 0.12 -0.55 8.25 7.99 1a49C1 ILE 1234 HA -0.02 0.18 0.48 -0.75 4.18 4.07 1a49C1 ILE 1234 HB -0.01 0.04 0.07 -0.04 1.89 1.94 1a49C1 ILE 1234 HG12 -0.02 -0.05 0.11 -0.04 1.49 1.49 1a49C1 ILE 1234 HG13 -0.01 0.05 -0.17 -0.04 1.21 1.03 1a49C1 ILE 1234 HG23 -0.02 0.01 0.01 -0.04 0.93 0.89 1a49C1 ILE 1234 HD13 -0.01 0.00 -0.01 -0.04 0.88 0.81 1a49C1 ASP 1235 H -0.02 -0.01 -0.25 -0.55 8.40 7.58 1a49C1 ASP 1235 HA -0.01 0.21 0.61 -0.75 4.63 4.69 1a49C1 ASP 1235 HB2 -0.01 -0.03 0.03 -0.04 2.71 2.65 1a49C1 ASP 1235 HB3 -0.01 0.04 0.14 -0.04 2.70 2.83 1a49C1 SER 1236 H -0.01 0.32 -0.62 -0.55 8.46 7.60 1a49C1 SER 1236 HA -0.00 0.24 0.63 -0.75 4.49 4.60 1a49C1 SER 1236 HB2 -0.01 -0.05 -0.03 -0.04 3.95 3.82 1a49C1 SER 1236 HB3 -0.01 0.16 0.18 -0.04 3.93 4.22 1a49C1 ALA 1237 H 0.00 0.41 0.22 -0.55 8.40 8.49 1a49C1 ALA 1237 HA 0.00 0.13 0.39 -0.75 4.34 4.10 1a49C1 ALA 1237 HB3 0.01 0.03 0.10 -0.04 1.41 1.50 1a49C1 PRO 1238 HA 0.02 -0.01 0.47 -0.51 4.44 4.41 1a49C1 PRO 1238 HB2 0.01 0.22 -0.04 -0.04 2.28 2.43 1a49C1 PRO 1238 HB3 0.01 0.06 -0.02 -0.04 2.02 2.02 1a49C1 PRO 1238 HG2 0.01 0.08 -0.00 -0.04 2.03 2.07 1a49C1 PRO 1238 HG3 0.00 -0.02 0.02 -0.04 2.03 1.99 1a49C1 PRO 1238 HD2 0.01 0.05 0.18 -0.04 3.68 3.88 1a49C1 PRO 1238 HD3 0.01 0.13 0.24 -0.04 3.65 3.98 1a49C1 ILE 1239 H 0.01 0.10 0.17 -0.55 8.25 7.98 1a49C1 ILE 1239 HA 0.02 0.09 0.55 -0.75 4.18 4.09 1a49C1 ILE 1239 HB -0.02 -0.06 0.21 -0.04 1.89 1.98 1a49C1 ILE 1239 HG12 -0.01 -0.02 0.11 -0.04 1.49 1.54 1a49C1 ILE 1239 HG13 -0.01 0.03 -0.01 -0.04 1.21 1.18 1a49C1 ILE 1239 HG23 0.00 0.01 0.07 -0.04 0.93 0.96 1a49C1 ILE 1239 HD13 -0.10 0.00 0.06 -0.04 0.88 0.80 1a49C1 THR 1240 H 0.06 0.17 0.18 -0.55 8.28 8.15 1a49C1 THR 1240 HA 0.11 0.10 0.42 -0.75 4.39 4.26 1a49C1 THR 1240 HB 0.14 -0.02 0.09 -0.04 4.32 4.49 1a49C1 THR 1240 HG23 0.07 -0.01 0.10 -0.04 1.22 1.34 1a49C1 ALA 1241 H -0.08 0.02 -0.10 -0.55 8.40 7.70 1a49C1 ALA 1241 HA 0.19 0.06 0.44 -0.75 4.34 4.28 1a49C1 ALA 1241 HB3 -0.99 0.01 0.00 -0.04 1.41 0.40 1a49C1 ARG 1242 H 0.44 0.18 0.15 -0.55 8.46 8.67 1a49C1 ARG 1242 HA 0.06 0.06 0.81 -0.75 4.34 4.52 1a49C1 ARG 1242 HB2 -0.09 0.06 0.07 -0.04 1.90 1.90 1a49C1 ARG 1242 HB3 0.29 0.03 0.16 -0.04 1.80 2.24 1a49C1 ARG 1242 HG2 -0.04 -0.16 0.02 -0.04 1.67 1.45 1a49C1 ARG 1242 HG3 -0.30 0.07 0.12 -0.04 1.67 1.52 1a49C1 ARG 1242 HD2 0.06 0.09 -0.31 -0.04 3.22 3.03 1a49C1 ARG 1242 HD3 0.04 -0.05 -0.07 -0.04 3.22 3.11 1a49C1 ASN 1243 H 0.10 0.12 0.08 -0.55 8.53 8.29 1a49C1 ASN 1243 HA 0.22 0.16 0.39 -0.75 4.76 4.78 1a49C1 ASN 1243 HB2 0.11 -0.02 0.01 -0.04 2.88 2.94 1a49C1 ASN 1243 HB3 0.13 -0.06 -0.11 -0.04 2.79 2.71 1a49C1 ASN 1243 HD21 0.09 0.23 -0.14 -0.04 7.03 7.17 1a49C1 ASN 1243 HD22 0.14 -0.03 -0.06 -0.04 7.74 7.75 1a49C1 THR 1244 H 0.04 -0.03 -0.05 -0.55 8.28 7.70 1a49C1 THR 1244 HA 0.02 0.23 0.66 -0.75 4.39 4.54 1a49C1 THR 1244 HB 0.01 -0.11 0.05 -0.04 4.32 4.23 1a49C1 THR 1244 HG23 0.00 0.02 -0.36 -0.04 1.22 0.84 1a49C1 GLY 1245 H 0.00 0.50 0.31 -0.55 8.43 8.70 1a49C1 GLY 1245 HA2 -0.02 0.11 0.42 -0.51 4.01 4.01 1a49C1 GLY 1245 HA3 0.01 0.17 0.35 -0.51 4.01 4.03 1a49C1 ILE 1246 H -0.04 0.22 0.21 -0.55 8.25 8.09 1a49C1 ILE 1246 HA -0.00 0.21 1.06 -0.75 4.18 4.69 1a49C1 ILE 1246 HB -0.00 0.27 0.09 -0.04 1.89 2.21 1a49C1 ILE 1246 HG12 0.02 -0.14 -0.13 -0.04 1.49 1.19 1a49C1 ILE 1246 HG13 0.02 0.19 -0.40 -0.04 1.21 0.99 1a49C1 ILE 1246 HG23 0.01 -0.07 -0.30 -0.04 0.93 0.53 1a49C1 ILE 1246 HD13 0.08 0.03 -0.17 -0.04 0.88 0.78 1a49C1 ILE 1247 H 0.00 0.82 0.41 -0.55 8.25 8.93 1a49C1 ILE 1247 HA 0.03 0.23 0.95 -0.75 4.18 4.63 1a49C1 ILE 1247 HB 0.03 -0.17 0.00 -0.04 1.89 1.72 1a49C1 ILE 1247 HG12 0.04 0.07 -0.39 -0.04 1.49 1.16 1a49C1 ILE 1247 HG13 -0.00 0.17 -0.19 -0.04 1.21 1.14 1a49C1 ILE 1247 HG23 0.21 -0.03 -0.30 -0.04 0.93 0.76 1a49C1 ILE 1247 HD13 0.04 -0.01 -0.28 -0.04 0.88 0.58 1a49C1 CYS 1248 H 0.04 0.88 0.37 -0.55 8.50 9.25 1a49C1 CYS 1248 HA 0.04 0.03 1.04 -0.75 4.58 4.94 1a49C1 CYS 1248 HB2 0.02 0.09 0.06 -0.04 2.97 3.11 1a49C1 CYS 1248 HB3 0.03 -0.01 -0.12 -0.04 2.97 2.82 1a49C1 THR 1249 H 0.06 0.40 0.23 -0.55 8.28 8.42 1a49C1 THR 1249 HA 0.09 0.11 0.75 -0.75 4.39 4.59 1a49C1 THR 1249 HB 0.06 -0.05 0.25 -0.04 4.32 4.55 1a49C1 THR 1249 HG23 0.10 -0.01 -0.13 -0.04 1.22 1.15 1a49C1 ILE 1250 H 0.08 0.61 0.33 -0.55 8.25 8.73 1a49C1 ILE 1250 HA 0.05 0.08 0.57 -0.75 4.18 4.14 1a49C1 ILE 1250 HB 0.07 0.01 0.06 -0.04 1.89 1.98 1a49C1 ILE 1250 HG12 0.04 -0.02 -0.02 -0.04 1.49 1.45 1a49C1 ILE 1250 HG13 0.03 0.09 -0.09 -0.04 1.21 1.20 1a49C1 ILE 1250 HG23 0.04 0.02 -0.24 -0.04 0.93 0.71 1a49C1 ILE 1250 HD13 0.03 -0.05 -0.51 -0.04 0.88 0.32 1a49C1 GLY 1251 H 0.06 0.17 0.05 -0.55 8.43 8.16 1a49C1 GLY 1251 HA2 0.17 0.17 0.81 -0.51 4.01 4.66 1a49C1 GLY 1251 HA3 0.08 0.06 0.43 -0.51 4.01 4.06 1a49C1 PRO 1252 HA 0.16 0.01 0.54 -0.51 4.44 4.64 1a49C1 PRO 1252 HB2 0.03 0.09 0.15 -0.04 2.28 2.51 1a49C1 PRO 1252 HB3 0.07 -0.01 0.15 -0.04 2.02 2.18 1a49C1 PRO 1252 HG2 -0.01 0.05 0.14 -0.04 2.03 2.17 1a49C1 PRO 1252 HG3 -0.00 -0.00 0.11 -0.04 2.03 2.10 1a49C1 PRO 1252 HD2 0.03 0.19 0.26 -0.04 3.68 4.13 1a49C1 PRO 1252 HD3 0.12 0.07 0.19 -0.04 3.65 4.00 1a49C1 ALA 1253 H 0.02 0.60 0.11 -0.55 8.40 8.58 1a49C1 ALA 1253 HA 0.00 0.04 0.41 -0.75 4.34 4.04 1a49C1 ALA 1253 HB3 -0.01 0.03 -0.12 -0.04 1.41 1.27 1a49C1 SER 1254 H 0.03 0.40 -0.52 -0.55 8.46 7.82 1a49C1 SER 1254 HA 0.01 0.14 0.77 -0.75 4.49 4.65 1a49C1 SER 1254 HB2 0.02 -0.01 0.05 -0.04 3.95 3.96 1a49C1 SER 1254 HB3 0.02 0.09 -0.12 -0.04 3.93 3.88 1a49C1 ARG 1255 H 0.00 0.30 0.06 -0.55 8.46 8.27 1a49C1 ARG 1255 HA -0.03 0.06 0.36 -0.75 4.34 3.98 1a49C1 ARG 1255 HB2 -0.05 -0.02 0.12 -0.04 1.90 1.91 1a49C1 ARG 1255 HB3 -0.12 -0.06 -0.10 -0.04 1.80 1.48 1a49C1 ARG 1255 HG2 -0.15 -0.04 -0.15 -0.04 1.67 1.29 1a49C1 ARG 1255 HG3 -0.01 0.34 -0.12 -0.04 1.67 1.83 1a49C1 ARG 1255 HD2 -0.13 -0.06 -0.08 -0.04 3.22 2.91 1a49C1 ARG 1255 HD3 -0.23 -0.01 -0.02 -0.04 3.22 2.92 1a49C1 SER 1256 H -0.01 0.10 -0.12 -0.55 8.46 7.87 1a49C1 SER 1256 HA -0.02 0.03 0.34 -0.75 4.49 4.09 1a49C1 SER 1256 HB2 -0.01 -0.10 -0.00 -0.04 3.95 3.80 1a49C1 SER 1256 HB3 -0.01 0.10 0.07 -0.04 3.93 4.04 1a49C1 VAL 1257 H -0.01 0.14 0.20 -0.55 8.24 8.02 1a49C1 VAL 1257 HA 0.01 0.25 0.47 -0.75 4.13 4.10 1a49C1 VAL 1257 HB -0.01 -0.04 0.22 -0.04 2.12 2.26 1a49C1 VAL 1257 HG13 -0.01 0.01 -0.10 -0.04 0.97 0.82 1a49C1 VAL 1257 HG23 0.01 0.01 0.16 -0.04 0.95 1.09 1a49C1 GLU 1258 H -0.00 0.06 -0.05 -0.55 8.60 8.06 1a49C1 GLU 1258 HA 0.00 0.13 0.23 -0.75 4.29 3.89 1a49C1 GLU 1258 HB2 -0.01 0.00 0.09 -0.04 2.09 2.13 1a49C1 GLU 1258 HB3 -0.00 -0.02 -0.01 -0.04 1.99 1.92 1a49C1 GLU 1258 HG2 0.01 0.03 0.00 -0.04 2.34 2.34 1a49C1 GLU 1258 HG3 -0.00 0.04 0.06 -0.04 2.34 2.40 1a49C1 THR 1259 H 0.01 0.17 -0.82 -0.55 8.28 7.09 1a49C1 THR 1259 HA 0.02 0.17 0.83 -0.75 4.39 4.65 1a49C1 THR 1259 HB 0.01 0.05 -0.04 -0.04 4.32 4.29 1a49C1 THR 1259 HG23 0.01 0.03 0.03 -0.04 1.22 1.25 1a49C1 LEU 1260 H 0.02 0.45 -0.05 -0.55 8.37 8.25 1a49C1 LEU 1260 HA 0.03 0.01 0.37 -0.75 4.35 4.00 1a49C1 LEU 1260 HB2 0.03 0.00 0.26 -0.04 1.64 1.90 1a49C1 LEU 1260 HB3 0.04 0.01 0.08 -0.04 1.64 1.73 1a49C1 LEU 1260 HG 0.01 0.15 -0.12 -0.04 1.64 1.64 1a49C1 LEU 1260 HD13 0.01 -0.04 -0.32 -0.04 0.93 0.54 1a49C1 LEU 1260 HD23 0.02 -0.04 -0.02 -0.04 0.89 0.80 1a49C1 LYS 1261 H 0.06 0.54 0.02 -0.55 8.42 8.49 1a49C1 LYS 1261 HA 0.28 0.14 0.39 -0.75 4.32 4.37 1a49C1 LYS 1261 HB2 0.04 -0.01 0.06 -0.04 1.87 1.92 1a49C1 LYS 1261 HB3 0.10 0.01 -0.04 -0.04 1.79 1.82 1a49C1 LYS 1261 HG2 -0.11 0.15 0.11 -0.04 1.46 1.56 1a49C1 LYS 1261 HG3 0.04 -0.09 0.14 -0.04 1.46 1.51 1a49C1 LYS 1261 HD2 -0.04 -0.12 -0.10 -0.04 1.69 1.39 1a49C1 LYS 1261 HD3 -0.10 0.00 -0.02 -0.04 1.68 1.52 1a49C1 LYS 1261 HE2 -0.23 0.06 -0.01 -0.04 2.99 2.77 1a49C1 LYS 1261 HE3 -0.08 -0.00 -0.03 -0.04 2.99 2.83 1a49C1 GLU 1262 H 0.05 0.23 -0.52 -0.55 8.60 7.82 1a49C1 GLU 1262 HA 0.07 0.13 0.60 -0.75 4.29 4.33 1a49C1 GLU 1262 HB2 0.03 0.06 0.11 -0.04 2.09 2.26 1a49C1 GLU 1262 HB3 0.03 -0.04 0.04 -0.04 1.99 1.97 1a49C1 GLU 1262 HG2 0.04 0.02 -0.00 -0.04 2.34 2.36 1a49C1 GLU 1262 HG3 0.03 -0.05 0.04 -0.04 2.34 2.32 1a49C1 MET 1263 H 0.03 0.47 -0.06 -0.55 8.47 8.36 1a49C1 MET 1263 HA 0.00 0.02 0.48 -0.75 4.52 4.27 1a49C1 MET 1263 HB2 0.01 0.11 0.10 -0.04 2.15 2.32 1a49C1 MET 1263 HB3 0.00 -0.10 -0.01 -0.04 2.03 1.88 1a49C1 MET 1263 HG2 0.02 -0.14 -0.02 -0.04 2.63 2.45 1a49C1 MET 1263 HG3 0.02 0.67 0.14 -0.04 2.56 3.35 1a49C1 MET 1263 HE3 0.02 -0.03 -0.14 -0.04 2.10 1.91 1a49C1 ILE 1264 H 0.01 0.63 -0.04 -0.55 8.25 8.30 1a49C1 ILE 1264 HA -0.09 0.17 0.52 -0.75 4.18 4.02 1a49C1 ILE 1264 HB -0.03 0.03 0.15 -0.04 1.89 2.00 1a49C1 ILE 1264 HG12 -0.04 -0.04 -0.00 -0.04 1.49 1.37 1a49C1 ILE 1264 HG13 0.04 0.29 0.03 -0.04 1.21 1.53 1a49C1 ILE 1264 HG23 -0.34 0.04 -0.15 -0.04 0.93 0.44 1a49C1 ILE 1264 HD13 0.07 0.02 -0.14 -0.04 0.88 0.80 1a49C1 LYS 1265 H -0.03 0.38 -0.16 -0.55 8.42 8.06 1a49C1 LYS 1265 HA -0.14 0.05 0.41 -0.75 4.32 3.89 1a49C1 LYS 1265 HB2 0.02 0.06 0.14 -0.04 1.87 2.05 1a49C1 LYS 1265 HB3 -0.00 -0.07 -0.13 -0.04 1.79 1.54 1a49C1 LYS 1265 HG2 0.06 -0.01 0.10 -0.04 1.46 1.57 1a49C1 LYS 1265 HG3 0.21 0.24 0.12 -0.04 1.46 1.99 1a49C1 LYS 1265 HD2 0.05 -0.03 -0.00 -0.04 1.69 1.67 1a49C1 LYS 1265 HD3 0.08 -0.01 0.02 -0.04 1.68 1.73 1a49C1 LYS 1265 HE2 0.17 -0.01 -0.02 -0.04 2.99 3.09 1a49C1 LYS 1265 HE3 0.12 -0.02 -0.09 -0.04 2.99 2.96 1a49C1 SER 1266 H -0.04 -0.01 -0.97 -0.55 8.46 6.90 1a49C1 SER 1266 HA -0.07 0.09 0.76 -0.75 4.49 4.51 1a49C1 SER 1266 HB2 -0.01 -0.09 0.28 -0.04 3.95 4.08 1a49C1 SER 1266 HB3 -0.01 -0.17 0.11 -0.04 3.93 3.82 1a49C1 GLY 1267 H -0.09 0.49 -0.17 -0.55 8.43 8.11 1a49C1 GLY 1267 HA2 -0.09 0.09 0.22 -0.51 4.01 3.72 1a49C1 GLY 1267 HA3 -0.06 0.07 0.78 -0.51 4.01 4.30 1a49C1 MET 1268 H -0.06 0.46 0.16 -0.55 8.47 8.48 1a49C1 MET 1268 HA -0.05 0.00 0.51 -0.75 4.52 4.23 1a49C1 MET 1268 HB2 -0.02 -0.08 -0.09 -0.04 2.15 1.92 1a49C1 MET 1268 HB3 -0.05 -0.02 -0.24 -0.04 2.03 1.68 1a49C1 MET 1268 HG2 -0.06 0.00 -0.24 -0.04 2.63 2.30 1a49C1 MET 1268 HG3 -0.02 -0.08 -0.03 -0.04 2.56 2.39 1a49C1 MET 1268 HE3 0.02 0.04 -0.09 -0.04 2.10 2.02 1a49C1 ASN 1269 H -0.11 0.36 0.43 -0.55 8.53 8.65 1a49C1 ASN 1269 HA -0.40 0.33 0.95 -0.75 4.76 4.88 1a49C1 ASN 1269 HB2 -0.23 -0.12 0.12 -0.04 2.88 2.61 1a49C1 ASN 1269 HB3 -1.12 0.01 0.11 -0.04 2.79 1.74 1a49C1 ASN 1269 HD21 -0.15 0.05 -0.06 -0.04 7.03 6.83 1a49C1 ASN 1269 HD22 -0.44 0.06 0.03 -0.04 7.74 7.35 1a49C1 VAL 1270 H -0.08 0.30 0.34 -0.55 8.24 8.25 1a49C1 VAL 1270 HA -0.03 0.27 0.77 -0.75 4.13 4.39 1a49C1 VAL 1270 HB 0.06 -0.11 -0.13 -0.04 2.12 1.90 1a49C1 VAL 1270 HG13 0.08 -0.04 -0.34 -0.04 0.97 0.63 1a49C1 VAL 1270 HG23 0.03 0.03 -0.34 -0.04 0.95 0.63 1a49C1 ALA 1271 H 0.00 0.61 0.20 -0.55 8.40 8.67 1a49C1 ALA 1271 HA 0.03 0.32 1.14 -0.75 4.34 5.08 1a49C1 ALA 1271 HB3 0.02 0.00 0.02 -0.04 1.41 1.41 1a49C1 ARG 1272 H 0.07 0.77 0.30 -0.55 8.46 9.05 1a49C1 ARG 1272 HA -0.05 0.32 0.91 -0.75 4.34 4.76 1a49C1 ARG 1272 HB2 0.30 0.02 -0.23 -0.04 1.90 1.95 1a49C1 ARG 1272 HB3 0.15 -0.07 -0.06 -0.04 1.80 1.79 1a49C1 ARG 1272 HG2 0.15 -0.06 -0.40 -0.04 1.67 1.32 1a49C1 ARG 1272 HG3 0.15 0.03 -0.22 -0.04 1.67 1.59 1a49C1 ARG 1272 HD2 0.44 0.04 -0.21 -0.04 3.22 3.45 1a49C1 ARG 1272 HD3 0.20 -0.04 -0.16 -0.04 3.22 3.18 1a49C1 MET 1273 H -0.04 0.84 0.35 -0.55 8.47 9.08 1a49C1 MET 1273 HA 0.05 0.17 0.89 -0.75 4.52 4.87 1a49C1 MET 1273 HB2 0.11 0.05 0.16 -0.04 2.15 2.43 1a49C1 MET 1273 HB3 -0.23 -0.04 -0.03 -0.04 2.03 1.69 1a49C1 MET 1273 HG2 0.16 0.02 -0.03 -0.04 2.63 2.73 1a49C1 MET 1273 HG3 0.18 0.04 0.01 -0.04 2.56 2.75 1a49C1 MET 1273 HE3 0.07 0.02 -0.18 -0.04 2.10 1.96 1a49C1 ASN 1274 H 0.11 0.26 0.05 -0.55 8.53 8.40 1a49C1 ASN 1274 HA 0.20 0.09 0.68 -0.75 4.76 4.98 1a49C1 ASN 1274 HB2 0.20 -0.00 0.01 -0.04 2.88 3.05 1a49C1 ASN 1274 HB3 0.31 0.03 0.10 -0.04 2.79 3.19 1a49C1 ASN 1274 HD21 0.22 0.02 -0.08 -0.04 7.03 7.14 1a49C1 ASN 1274 HD22 0.30 -0.01 -0.08 -0.04 7.74 7.91 1a49C1 PHE 1275 H 0.45 0.83 0.37 -0.55 8.34 9.44 1a49C1 PHE 1275 HA 0.27 0.26 0.45 -0.75 4.62 4.85 1a49C1 PHE 1275 HB2 0.06 0.08 0.16 -0.04 3.15 3.41 1a49C1 PHE 1275 HB3 0.12 -0.09 0.06 -0.04 3.06 3.12 1a49C1 PHE 1275 HD2 -0.01 0.07 -0.05 -0.04 7.28 7.24 1a49C1 PHE 1275 HE2 -0.20 -0.02 -0.06 -0.04 7.38 7.05 1a49C1 PHE 1275 HZ 0.41 0.02 -0.10 -0.04 7.32 7.61 1a49C1 SER 1276 H 0.19 0.06 -0.37 -0.55 8.46 7.78 1a49C1 SER 1276 HA 0.05 0.01 0.36 -0.75 4.49 4.15 1a49C1 SER 1276 HB2 -0.00 -0.07 -0.04 -0.04 3.95 3.79 1a49C1 SER 1276 HB3 -0.19 0.07 0.00 -0.04 3.93 3.77 1a49C1 HIS 1277 H 0.20 0.29 -0.55 -0.55 8.41 7.80 1a49C1 HIS 1277 HA 0.00 0.21 0.94 -0.75 4.63 5.03 1a49C1 HIS 1277 HB2 0.07 0.02 -0.02 -0.04 3.26 3.29 1a49C1 HIS 1277 HB3 -0.05 -0.07 0.07 -0.04 3.20 3.10 1a49C1 HIS 1277 HD2 0.10 -0.10 -0.12 -0.04 6.97 6.80 1a49C1 HIS 1277 HE1 0.05 0.10 -0.09 -0.04 7.75 7.76 1a49C1 GLY 1278 H -0.08 0.07 0.09 -0.55 8.43 7.97 1a49C1 GLY 1278 HA2 -0.35 -0.01 0.34 -0.51 4.01 3.48 1a49C1 GLY 1278 HA3 -0.52 0.05 0.40 -0.51 4.01 3.43 1a49C1 THR 1279 H -0.26 0.11 0.24 -0.55 8.28 7.82 1a49C1 THR 1279 HA -0.09 0.26 0.80 -0.75 4.39 4.59 1a49C1 THR 1279 HB -0.08 0.06 0.10 -0.04 4.32 4.36 1a49C1 THR 1279 HG23 -0.12 0.06 -0.16 -0.04 1.22 0.95 1a49C1 HIS 1280 H -0.07 0.22 0.14 -0.55 8.41 8.15 1a49C1 HIS 1280 HA -0.26 0.13 0.31 -0.75 4.63 4.06 1a49C1 HIS 1280 HB2 -0.28 -0.04 0.13 -0.04 3.26 3.04 1a49C1 HIS 1280 HB3 -0.88 0.08 0.03 -0.04 3.20 2.38 1a49C1 HIS 1280 HD2 0.01 -0.01 -0.02 -0.04 6.97 6.90 1a49C1 HIS 1280 HE1 0.00 0.09 -0.12 -0.04 7.75 7.67 1a49C1 GLU 1281 H 0.01 0.05 -0.25 -0.55 8.60 7.86 1a49C1 GLU 1281 HA 0.12 0.16 0.33 -0.75 4.29 4.14 1a49C1 GLU 1281 HB2 0.07 0.07 0.03 -0.04 2.09 2.22 1a49C1 GLU 1281 HB3 0.03 -0.03 0.07 -0.04 1.99 2.02 1a49C1 GLU 1281 HG2 0.05 0.02 -0.34 -0.04 2.34 2.03 1a49C1 GLU 1281 HG3 0.04 0.04 -0.08 -0.04 2.34 2.30 1a49C1 TYR 1282 H 0.07 0.02 -0.13 -0.55 8.29 7.70 1a49C1 TYR 1282 HA -0.05 0.07 0.40 -0.75 4.56 4.23 1a49C1 TYR 1282 HB2 -0.14 -0.03 0.16 -0.04 3.06 3.00 1a49C1 TYR 1282 HB3 -0.33 -0.01 0.20 -0.04 2.98 2.80 1a49C1 TYR 1282 HD2 -0.24 0.02 -0.08 -0.04 7.15 6.82 1a49C1 TYR 1282 HE2 -0.06 0.03 -0.05 -0.04 6.85 6.74 1a49C1 HIS 1283 H 0.01 0.43 -0.22 -0.55 8.41 8.08 1a49C1 HIS 1283 HA 0.05 0.03 0.24 -0.75 4.63 4.20 1a49C1 HIS 1283 HB2 0.03 0.04 0.02 -0.04 3.26 3.32 1a49C1 HIS 1283 HB3 0.19 -0.01 -0.04 -0.04 3.20 3.30 1a49C1 HIS 1283 HD2 -1.58 -0.07 -0.25 -0.04 6.97 5.02 1a49C1 HIS 1283 HE1 0.02 -0.07 -0.08 -0.04 7.75 7.58 1a49C1 ALA 1284 H 0.27 0.61 -0.06 -0.55 8.40 8.67 1a49C1 ALA 1284 HA 0.22 0.04 0.40 -0.75 4.34 4.25 1a49C1 ALA 1284 HB3 0.32 0.00 0.11 -0.04 1.41 1.80 1a49C1 GLU 1285 H 0.06 0.50 -0.19 -0.55 8.60 8.43 1a49C1 GLU 1285 HA 0.01 -0.00 0.41 -0.75 4.29 3.96 1a49C1 GLU 1285 HB2 -0.02 0.03 0.13 -0.04 2.09 2.19 1a49C1 GLU 1285 HB3 -0.13 0.12 0.11 -0.04 1.99 2.05 1a49C1 GLU 1285 HG2 -0.04 -0.04 0.00 -0.04 2.34 2.22 1a49C1 GLU 1285 HG3 -0.02 -0.02 0.03 -0.04 2.34 2.29 1a49C1 THR 1286 H -0.04 0.39 -0.15 -0.55 8.28 7.93 1a49C1 THR 1286 HA -0.06 0.03 0.33 -0.75 4.39 3.94 1a49C1 THR 1286 HB 0.09 0.07 0.13 -0.04 4.32 4.56 1a49C1 THR 1286 HG23 0.04 0.01 -0.15 -0.04 1.22 1.07 1a49C1 ILE 1287 H 0.08 0.62 -0.13 -0.55 8.25 8.27 1a49C1 ILE 1287 HA 0.04 -0.00 0.35 -0.75 4.18 3.81 1a49C1 ILE 1287 HB 0.05 0.14 0.24 -0.04 1.89 2.28 1a49C1 ILE 1287 HG12 0.12 0.02 -0.04 -0.04 1.49 1.56 1a49C1 ILE 1287 HG13 0.02 0.02 -0.00 -0.04 1.21 1.20 1a49C1 ILE 1287 HG23 0.00 0.01 -0.06 -0.04 0.93 0.84 1a49C1 ILE 1287 HD13 0.09 -0.04 -0.03 -0.04 0.88 0.85 1a49C1 LYS 1288 H 0.03 0.58 -0.06 -0.55 8.42 8.42 1a49C1 LYS 1288 HA 0.02 -0.02 0.31 -0.75 4.32 3.88 1a49C1 LYS 1288 HB2 0.03 0.12 0.21 -0.04 1.87 2.19 1a49C1 LYS 1288 HB3 0.01 0.10 0.26 -0.04 1.79 2.12 1a49C1 LYS 1288 HG2 0.02 -0.03 0.03 -0.04 1.46 1.43 1a49C1 LYS 1288 HG3 0.02 -0.02 0.03 -0.04 1.46 1.46 1a49C1 LYS 1288 HD2 0.01 -0.01 0.02 -0.04 1.69 1.66 1a49C1 LYS 1288 HD3 0.01 -0.02 -0.09 -0.04 1.68 1.53 1a49C1 LYS 1288 HE2 0.01 -0.00 -0.02 -0.04 2.99 2.93 1a49C1 LYS 1288 HE3 0.01 0.01 -0.01 -0.04 2.99 2.96 1a49C1 ASN 1289 H 0.00 0.72 0.02 -0.55 8.53 8.72 1a49C1 ASN 1289 HA 0.01 -0.12 0.41 -0.75 4.76 4.30 1a49C1 ASN 1289 HB2 -0.01 0.24 0.13 -0.04 2.88 3.20 1a49C1 ASN 1289 HB3 -0.00 -0.11 0.02 -0.04 2.79 2.66 1a49C1 ASN 1289 HD21 -0.06 -0.14 -0.13 -0.04 7.03 6.65 1a49C1 ASN 1289 HD22 -0.06 0.16 -0.11 -0.04 7.74 7.69 1a49C1 VAL 1290 H 0.02 0.71 -0.15 -0.55 8.24 8.27 1a49C1 VAL 1290 HA 0.03 -0.02 0.51 -0.75 4.13 3.89 1a49C1 VAL 1290 HB 0.03 0.18 0.28 -0.04 2.12 2.57 1a49C1 VAL 1290 HG13 0.03 -0.03 -0.20 -0.04 0.97 0.73 1a49C1 VAL 1290 HG23 0.03 0.12 -0.02 -0.04 0.95 1.03 1a49C1 ARG 1291 H 0.04 0.63 -0.01 -0.55 8.46 8.56 1a49C1 ARG 1291 HA 0.07 0.05 0.38 -0.75 4.34 4.08 1a49C1 ARG 1291 HB2 0.04 0.11 0.07 -0.04 1.90 2.07 1a49C1 ARG 1291 HB3 0.06 -0.07 0.06 -0.04 1.80 1.81 1a49C1 ARG 1291 HG2 0.05 0.00 0.00 -0.04 1.67 1.68 1a49C1 ARG 1291 HG3 0.03 0.09 0.01 -0.04 1.67 1.77 1a49C1 ARG 1291 HD2 0.02 -0.06 -0.16 -0.04 3.22 2.98 1a49C1 ARG 1291 HD3 0.03 -0.04 -0.03 -0.04 3.22 3.14 1a49C1 THR 1292 H 0.04 0.36 -0.35 -0.55 8.28 7.77 1a49C1 THR 1292 HA 0.04 0.04 0.52 -0.75 4.39 4.23 1a49C1 THR 1292 HB 0.02 0.09 0.18 -0.04 4.32 4.56 1a49C1 THR 1292 HG23 0.00 -0.02 -0.04 -0.04 1.22 1.12 1a49C1 ALA 1293 H 0.04 0.70 0.07 -0.55 8.40 8.67 1a49C1 ALA 1293 HA 0.02 -0.04 0.28 -0.75 4.34 3.85 1a49C1 ALA 1293 HB3 0.07 0.01 0.15 -0.04 1.41 1.60 1a49C1 THR 1294 H 0.11 0.12 -0.93 -0.55 8.28 7.03 1a49C1 THR 1294 HA 0.28 0.14 0.30 -0.75 4.39 4.37 1a49C1 THR 1294 HB 0.14 0.03 0.16 -0.04 4.32 4.61 1a49C1 THR 1294 HG23 0.19 0.01 -0.22 -0.04 1.22 1.16 1a49C1 GLU 1295 H 0.16 0.61 0.13 -0.55 8.60 8.95 1a49C1 GLU 1295 HA 0.29 0.07 0.46 -0.75 4.29 4.35 1a49C1 GLU 1295 HB2 0.05 -0.02 0.06 -0.04 2.09 2.14 1a49C1 GLU 1295 HB3 0.05 -0.04 0.15 -0.04 1.99 2.11 1a49C1 GLU 1295 HG2 0.11 0.64 0.31 -0.04 2.34 3.36 1a49C1 GLU 1295 HG3 0.07 -0.09 0.06 -0.04 2.34 2.34 1a49C1 SER 1296 H 0.09 0.28 -1.02 -0.55 8.46 7.27 1a49C1 SER 1296 HA -0.06 -0.02 0.39 -0.75 4.49 4.04 1a49C1 SER 1296 HB2 -0.21 -0.13 0.07 -0.04 3.95 3.64 1a49C1 SER 1296 HB3 -0.09 0.14 0.03 -0.04 3.93 3.98 1a49C1 PHE 1297 H 0.30 0.64 -0.35 -0.55 8.34 8.38 1a49C1 PHE 1297 HA 0.07 0.09 0.65 -0.75 4.62 4.67 1a49C1 PHE 1297 HB2 0.20 0.23 0.14 -0.04 3.15 3.68 1a49C1 PHE 1297 HB3 0.14 0.00 0.10 -0.04 3.06 3.26 1a49C1 PHE 1297 HD2 0.04 0.11 0.16 -0.04 7.28 7.55 1a49C1 PHE 1297 HE2 0.00 -0.04 0.06 -0.04 7.38 7.37 1a49C1 PHE 1297 HZ -0.00 0.01 0.07 -0.04 7.32 7.35 1a49C1 ALA 1298 H 0.14 0.51 -0.44 -0.55 8.40 8.06 1a49C1 ALA 1298 HA -0.13 0.06 0.24 -0.75 4.34 3.76 1a49C1 ALA 1298 HB3 -0.14 0.01 0.10 -0.04 1.41 1.33 1a49C1 SER 1299 H 0.04 0.16 -0.61 -0.55 8.46 7.51 1a49C1 SER 1299 HA -0.00 -0.01 0.29 -0.75 4.49 4.01 1a49C1 SER 1299 HB2 0.00 -0.06 0.02 -0.04 3.95 3.88 1a49C1 SER 1299 HB3 0.00 0.09 0.03 -0.04 3.93 4.01 1a49C1 ASP 1300 H 0.09 0.32 -0.25 -0.55 8.40 8.01 1a49C1 ASP 1300 HA 0.03 0.20 0.89 -0.75 4.63 5.00 1a49C1 ASP 1300 HB2 0.03 0.03 -0.01 -0.04 2.71 2.72 1a49C1 ASP 1300 HB3 0.07 0.06 0.11 -0.04 2.70 2.89 1a49C1 PRO 1301 HA 0.11 0.10 0.31 -0.51 4.44 4.44 1a49C1 PRO 1301 HB2 0.03 0.01 0.00 -0.04 2.28 2.28 1a49C1 PRO 1301 HB3 -0.00 0.05 0.13 -0.04 2.02 2.15 1a49C1 PRO 1301 HG2 0.01 -0.04 0.05 -0.04 2.03 2.00 1a49C1 PRO 1301 HG3 -0.02 0.06 0.06 -0.04 2.03 2.09 1a49C1 PRO 1301 HD2 0.02 0.03 0.19 -0.04 3.68 3.88 1a49C1 PRO 1301 HD3 0.01 0.39 -0.09 -0.04 3.65 3.92 1a49C1 ILE 1302 H 0.04 -0.02 -0.79 -0.55 8.25 6.93 1a49C1 ILE 1302 HA 0.03 0.14 0.68 -0.75 4.18 4.27 1a49C1 ILE 1302 HB 0.02 -0.07 0.03 -0.04 1.89 1.83 1a49C1 ILE 1302 HG12 0.01 -0.03 -0.04 -0.04 1.49 1.38 1a49C1 ILE 1302 HG13 0.00 0.02 -0.11 -0.04 1.21 1.08 1a49C1 ILE 1302 HG23 -0.02 0.02 -0.14 -0.04 0.93 0.75 1a49C1 ILE 1302 HD13 0.02 0.01 -0.19 -0.04 0.88 0.67 1a49C1 LEU 1303 H 0.06 0.38 0.04 -0.55 8.37 8.30 1a49C1 LEU 1303 HA -0.01 0.22 0.60 -0.75 4.35 4.40 1a49C1 LEU 1303 HB2 0.09 0.01 0.07 -0.04 1.64 1.77 1a49C1 LEU 1303 HB3 0.03 0.00 0.13 -0.04 1.64 1.76 1a49C1 LEU 1303 HG 0.01 -0.17 -0.15 -0.04 1.64 1.29 1a49C1 LEU 1303 HD13 0.03 -0.02 0.01 -0.04 0.93 0.91 1a49C1 LEU 1303 HD23 -0.04 0.04 -0.08 -0.04 0.89 0.77 1a49C1 TYR 1304 H 0.18 -0.02 -0.28 -0.55 8.29 7.62 1a49C1 TYR 1304 HA 0.04 0.05 0.56 -0.75 4.56 4.46 1a49C1 TYR 1304 HB2 0.06 0.05 -0.20 -0.04 3.06 2.94 1a49C1 TYR 1304 HB3 0.02 -0.02 -0.00 -0.04 2.98 2.93 1a49C1 TYR 1304 HD2 0.06 -0.01 -0.27 -0.04 7.15 6.89 1a49C1 TYR 1304 HE2 0.01 -0.07 -0.24 -0.04 6.85 6.51 1a49C1 ARG 1305 H -0.48 0.14 0.09 -0.55 8.46 7.65 1a49C1 ARG 1305 HA -0.26 0.32 1.03 -0.75 4.34 4.67 1a49C1 ARG 1305 HB2 -0.35 -0.10 0.10 -0.04 1.90 1.51 1a49C1 ARG 1305 HB3 -0.20 0.12 0.02 -0.04 1.80 1.69 1a49C1 ARG 1305 HG2 -0.09 0.06 -0.12 -0.04 1.67 1.48 1a49C1 ARG 1305 HG3 -0.19 0.05 -0.43 -0.04 1.67 1.06 1a49C1 ARG 1305 HD2 -0.25 -0.05 -0.06 -0.04 3.22 2.82 1a49C1 ARG 1305 HD3 -0.12 0.04 -0.04 -0.04 3.22 3.05 1a49C1 PRO 1306 HA -0.24 -0.04 0.45 -0.51 4.44 4.09 1a49C1 PRO 1306 HB2 0.16 0.12 -0.20 -0.04 2.28 2.33 1a49C1 PRO 1306 HB3 0.05 -0.11 -0.09 -0.04 2.02 1.82 1a49C1 PRO 1306 HG2 -0.00 0.11 -0.09 -0.04 2.03 2.01 1a49C1 PRO 1306 HG3 0.02 -0.12 -0.11 -0.04 2.03 1.78 1a49C1 PRO 1306 HD2 -0.07 0.26 0.22 -0.04 3.68 4.04 1a49C1 PRO 1306 HD3 -0.25 0.12 -0.08 -0.04 3.65 3.40 1a49C1 VAL 1307 H 0.01 0.11 0.09 -0.55 8.24 7.91 1a49C1 VAL 1307 HA -0.14 0.42 0.81 -0.75 4.13 4.47 1a49C1 VAL 1307 HB -0.01 -0.13 -0.01 -0.04 2.12 1.93 1a49C1 VAL 1307 HG13 -0.05 -0.01 -0.30 -0.04 0.97 0.57 1a49C1 VAL 1307 HG23 -0.11 0.06 -0.29 -0.04 0.95 0.56 1a49C1 ALA 1308 H -0.02 0.83 0.43 -0.55 8.40 9.09 1a49C1 ALA 1308 HA 0.06 0.07 0.72 -0.75 4.34 4.44 1a49C1 ALA 1308 HB3 0.09 0.03 -0.01 -0.04 1.41 1.49 1a49C1 VAL 1309 H 0.01 0.16 0.19 -0.55 8.24 8.04 1a49C1 VAL 1309 HA -0.02 0.19 0.95 -0.75 4.13 4.50 1a49C1 VAL 1309 HB -0.03 -0.06 0.25 -0.04 2.12 2.25 1a49C1 VAL 1309 HG13 -0.03 -0.00 -0.10 -0.04 0.97 0.80 1a49C1 VAL 1309 HG23 0.01 0.05 -0.07 -0.04 0.95 0.90 1a49C1 ALA 1310 H -0.10 0.86 0.24 -0.55 8.40 8.85 1a49C1 ALA 1310 HA -0.31 0.17 0.92 -0.75 4.34 4.37 1a49C1 ALA 1310 HB3 -0.80 -0.01 -0.25 -0.04 1.41 0.32 1a49C1 LEU 1311 H -0.35 0.74 0.27 -0.55 8.37 8.50 1a49C1 LEU 1311 HA -0.20 0.14 0.82 -0.75 4.35 4.36 1a49C1 LEU 1311 HB2 -0.27 0.04 0.07 -0.04 1.64 1.45 1a49C1 LEU 1311 HB3 -0.24 0.02 0.17 -0.04 1.64 1.54 1a49C1 LEU 1311 HG -0.72 0.07 -0.07 -0.04 1.64 0.88 1a49C1 LEU 1311 HD13 -0.70 -0.00 -0.07 -0.04 0.93 0.12 1a49C1 LEU 1311 HD23 -0.28 -0.05 -0.41 -0.04 0.89 0.11 1a49C1 ASP 1312 H -0.03 0.65 0.26 -0.55 8.40 8.73 1a49C1 ASP 1312 HA 0.07 0.14 0.98 -0.75 4.63 5.07 1a49C1 ASP 1312 HB2 0.16 -0.00 -0.11 -0.04 2.71 2.72 1a49C1 ASP 1312 HB3 0.17 -0.12 0.08 -0.04 2.70 2.79 1a49C1 THR 1313 H 0.08 0.57 0.26 -0.55 8.28 8.64 1a49C1 THR 1313 HA 0.05 0.04 0.39 -0.75 4.39 4.12 1a49C1 THR 1313 HB 0.06 0.37 0.27 -0.04 4.32 4.97 1a49C1 THR 1313 HG23 0.10 -0.06 -0.20 -0.04 1.22 1.02 1a49C1 LYS 1314 H 0.12 0.08 0.10 -0.55 8.42 8.17 1a49C1 LYS 1314 HA 0.14 0.10 0.50 -0.75 4.32 4.30 1a49C1 LYS 1314 HB2 0.10 -0.18 0.15 -0.04 1.87 1.91 1a49C1 LYS 1314 HB3 0.09 0.09 0.01 -0.04 1.79 1.94 1a49C1 LYS 1314 HG2 0.15 0.09 -0.38 -0.04 1.46 1.28 1a49C1 LYS 1314 HG3 0.22 -0.08 -0.11 -0.04 1.46 1.44 1a49C1 LYS 1314 HD2 0.13 -0.17 -0.09 -0.04 1.69 1.52 1a49C1 LYS 1314 HD3 0.10 0.02 -0.04 -0.04 1.68 1.72 1a49C1 LYS 1314 HE2 0.14 0.37 -0.02 -0.04 2.99 3.44 1a49C1 LYS 1314 HE3 0.28 -0.06 -0.06 -0.04 2.99 3.11 1a49C1 GLY 1315 H 0.09 -0.08 0.08 -0.55 8.43 7.97 1a49C1 GLY 1315 HA2 0.08 0.10 0.32 -0.51 4.01 4.00 1a49C1 GLY 1315 HA3 0.15 0.24 0.42 -0.51 4.01 4.31 1a49C1 PRO 1316 HA -0.06 0.03 0.50 -0.51 4.44 4.39 1a49C1 PRO 1316 HB2 -0.14 -0.04 0.16 -0.04 2.28 2.22 1a49C1 PRO 1316 HB3 -0.04 -0.01 -0.20 -0.04 2.02 1.72 1a49C1 PRO 1316 HG2 0.07 0.11 0.11 -0.04 2.03 2.28 1a49C1 PRO 1316 HG3 0.03 -0.03 -0.08 -0.04 2.03 1.91 1a49C1 PRO 1316 HD2 0.14 0.28 0.16 -0.04 3.68 4.22 1a49C1 PRO 1316 HD3 0.06 0.26 0.22 -0.04 3.65 4.15 1a49C1 GLU 1317 H -0.10 0.63 0.18 -0.55 8.60 8.76 1a49C1 GLU 1317 HA -0.41 0.19 1.02 -0.75 4.29 4.33 1a49C1 GLU 1317 HB2 -0.21 -0.05 -0.03 -0.04 2.09 1.76 1a49C1 GLU 1317 HB3 -0.17 0.06 -0.39 -0.04 1.99 1.45 1a49C1 GLU 1317 HG2 -0.01 0.03 -0.13 -0.04 2.34 2.19 1a49C1 GLU 1317 HG3 -0.03 -0.05 -0.49 -0.04 2.34 1.73 1a49C1 ILE 1318 H -0.20 0.23 0.19 -0.55 8.25 7.92 1a49C1 ILE 1318 HA -0.06 0.09 0.84 -0.75 4.18 4.29 1a49C1 ILE 1318 HB -0.13 0.16 0.24 -0.04 1.89 2.11 1a49C1 ILE 1318 HG12 -0.27 -0.07 -0.02 -0.04 1.49 1.08 1a49C1 ILE 1318 HG13 -0.37 0.01 -0.13 -0.04 1.21 0.68 1a49C1 ILE 1318 HG23 -0.05 -0.05 -0.17 -0.04 0.93 0.63 1a49C1 ILE 1318 HD13 -0.43 0.02 -0.05 -0.04 0.88 0.38 1a49C1 ARG 1319 H 0.04 0.09 0.20 -0.55 8.46 8.24 1a49C1 ARG 1319 HA 0.05 0.31 1.21 -0.75 4.34 5.15 1a49C1 ARG 1319 HB2 0.07 -0.08 -0.01 -0.04 1.90 1.84 1a49C1 ARG 1319 HB3 0.07 0.17 -0.04 -0.04 1.80 1.96 1a49C1 ARG 1319 HG2 0.02 0.10 -0.07 -0.04 1.67 1.69 1a49C1 ARG 1319 HG3 0.01 -0.13 -0.35 -0.04 1.67 1.17 1a49C1 ARG 1319 HD2 -0.05 -0.12 -0.02 -0.04 3.22 2.98 1a49C1 ARG 1319 HD3 -0.06 0.10 -0.01 -0.04 3.22 3.21 1a49C1 THR 1320 H 0.10 0.41 0.13 -0.55 8.28 8.37 1a49C1 THR 1320 HA 0.26 0.10 0.56 -0.75 4.39 4.55 1a49C1 THR 1320 HB 0.20 0.03 0.22 -0.04 4.32 4.73 1a49C1 THR 1320 HG23 0.09 0.01 -0.09 -0.04 1.22 1.18 1a49C1 GLY 1321 H 0.38 0.18 0.11 -0.55 8.43 8.55 1a49C1 GLY 1321 HA2 0.03 0.20 0.81 -0.51 4.01 4.54 1a49C1 GLY 1321 HA3 -0.02 0.31 0.45 -0.51 4.01 4.24 1a49C1 LEU 1322 H -0.12 0.34 0.29 -0.55 8.37 8.32 1a49C1 LEU 1322 HA -0.01 0.01 0.46 -0.75 4.35 4.06 1a49C1 LEU 1322 HB2 -0.10 -0.08 0.24 -0.04 1.64 1.66 1a49C1 LEU 1322 HB3 -0.05 -0.08 -0.33 -0.04 1.64 1.14 1a49C1 LEU 1322 HG -0.10 0.02 -0.02 -0.04 1.64 1.49 1a49C1 LEU 1322 HD13 -0.08 0.03 -0.27 -0.04 0.93 0.56 1a49C1 LEU 1322 HD23 -0.04 -0.02 -0.28 -0.04 0.89 0.51 1a49C1 ILE 1323 H 0.02 0.12 0.05 -0.55 8.25 7.90 1a49C1 ILE 1323 HA 0.04 0.07 0.38 -0.75 4.18 3.91 1a49C1 ILE 1323 HB 0.04 -0.08 -0.04 -0.04 1.89 1.76 1a49C1 ILE 1323 HG12 0.07 -0.05 -0.28 -0.04 1.49 1.18 1a49C1 ILE 1323 HG13 0.07 0.02 -0.51 -0.04 1.21 0.75 1a49C1 ILE 1323 HG23 0.04 0.04 -0.37 -0.04 0.93 0.59 1a49C1 ILE 1323 HD13 0.07 -0.01 -0.30 -0.04 0.88 0.60 1a49C1 LYS 1324 H 0.00 0.26 0.11 -0.55 8.42 8.25 1a49C1 LYS 1324 HA -0.02 0.08 0.41 -0.75 4.32 4.03 1a49C1 LYS 1324 HB2 -0.00 0.03 0.16 -0.04 1.87 2.02 1a49C1 LYS 1324 HB3 -0.01 0.01 0.14 -0.04 1.79 1.89 1a49C1 LYS 1324 HG2 0.01 0.17 0.01 -0.04 1.46 1.61 1a49C1 LYS 1324 HG3 0.02 -0.18 -0.61 -0.04 1.46 0.65 1a49C1 LYS 1324 HD2 0.02 0.01 -0.03 -0.04 1.69 1.64 1a49C1 LYS 1324 HD3 0.01 0.00 0.02 -0.04 1.68 1.67 1a49C1 LYS 1324 HE2 0.02 -0.01 0.05 -0.04 2.99 3.01 1a49C1 LYS 1324 HE3 0.03 -0.04 0.01 -0.04 2.99 2.95 1a49C1 GLY 1325 H -0.05 0.63 -0.06 -0.55 8.43 8.41 1a49C1 GLY 1325 HA2 -0.07 -0.06 0.30 -0.51 4.01 3.68 1a49C1 GLY 1325 HA3 -0.05 0.02 0.34 -0.51 4.01 3.80 1a49C1 SER 1326 H -0.02 0.23 -1.00 -0.55 8.46 7.11 1a49C1 SER 1326 HA -0.04 0.27 0.94 -0.75 4.49 4.91 1a49C1 SER 1326 HB2 -0.02 0.18 0.11 -0.04 3.95 4.18 1a49C1 SER 1326 HB3 -0.01 0.12 0.28 -0.04 3.93 4.28 1a49C1 GLY 1327 H -0.01 0.19 0.17 -0.55 8.43 8.23 1a49C1 GLY 1327 HA2 -0.00 -0.05 0.38 -0.51 4.01 3.82 1a49C1 GLY 1327 HA3 -0.05 0.33 1.01 -0.51 4.01 4.78 1a49C1 THR 1328 H -0.03 0.03 -0.19 -0.55 8.28 7.54 1a49C1 THR 1328 HA -0.03 0.23 0.93 -0.75 4.39 4.77 1a49C1 THR 1328 HB -0.02 0.02 -0.06 -0.04 4.32 4.22 1a49C1 THR 1328 HG23 -0.02 0.02 0.08 -0.04 1.22 1.25 1a49C1 ALA 1329 H -0.01 -0.31 0.15 -0.55 8.40 7.68 1a49C1 ALA 1329 HA 0.01 0.13 0.51 -0.75 4.34 4.24 1a49C1 ALA 1329 HB3 0.01 0.03 0.17 -0.04 1.41 1.58 1a49C1 GLU 1330 H 0.05 0.18 0.21 -0.55 8.60 8.50 1a49C1 GLU 1330 HA 0.10 0.16 0.70 -0.75 4.29 4.51 1a49C1 GLU 1330 HB2 0.07 0.02 -0.02 -0.04 2.09 2.11 1a49C1 GLU 1330 HB3 0.33 -0.06 -0.11 -0.04 1.99 2.10 1a49C1 GLU 1330 HG2 0.14 -0.04 -0.23 -0.04 2.34 2.17 1a49C1 GLU 1330 HG3 0.04 0.08 -0.19 -0.04 2.34 2.24 1a49C1 VAL 1331 H 0.23 0.25 0.12 -0.55 8.24 8.30 1a49C1 VAL 1331 HA 0.10 0.08 0.74 -0.75 4.13 4.29 1a49C1 VAL 1331 HB 0.06 0.17 -0.10 -0.04 2.12 2.21 1a49C1 VAL 1331 HG13 -0.01 -0.02 -0.33 -0.04 0.97 0.56 1a49C1 VAL 1331 HG23 0.04 0.00 -0.08 -0.04 0.95 0.88 1a49C1 GLU 1332 H -0.08 0.16 0.15 -0.55 8.60 8.29 1a49C1 GLU 1332 HA -0.79 0.18 0.74 -0.75 4.29 3.66 1a49C1 GLU 1332 HB2 -0.57 -0.03 0.03 -0.04 2.09 1.48 1a49C1 GLU 1332 HB3 -0.24 0.00 0.04 -0.04 1.99 1.75 1a49C1 GLU 1332 HG2 -0.37 0.11 -0.12 -0.04 2.34 1.92 1a49C1 GLU 1332 HG3 -1.22 -0.05 -0.08 -0.04 2.34 0.95 1a49C1 LEU 1333 H -0.26 0.66 0.39 -0.55 8.37 8.61 1a49C1 LEU 1333 HA -0.08 0.16 0.92 -0.75 4.35 4.60 1a49C1 LEU 1333 HB2 -0.07 0.00 0.11 -0.04 1.64 1.65 1a49C1 LEU 1333 HB3 -0.04 0.04 0.02 -0.04 1.64 1.61 1a49C1 LEU 1333 HG -0.05 0.03 -0.12 -0.04 1.64 1.45 1a49C1 LEU 1333 HD13 -0.00 -0.01 -0.16 -0.04 0.93 0.72 1a49C1 LEU 1333 HD23 -0.02 0.05 -0.13 -0.04 0.89 0.74 1a49C1 LYS 1334 H -0.05 0.19 0.13 -0.55 8.42 8.14 1a49C1 LYS 1334 HA -0.06 0.09 0.91 -0.75 4.32 4.51 1a49C1 LYS 1334 HB2 -0.03 0.07 -0.03 -0.04 1.87 1.85 1a49C1 LYS 1334 HB3 -0.03 0.01 0.09 -0.04 1.79 1.82 1a49C1 LYS 1334 HG2 -0.06 -0.03 -0.20 -0.04 1.46 1.13 1a49C1 LYS 1334 HG3 -0.04 0.01 0.02 -0.04 1.46 1.41 1a49C1 LYS 1334 HD2 -0.03 -0.01 -0.02 -0.04 1.69 1.60 1a49C1 LYS 1334 HD3 -0.02 0.00 -0.01 -0.04 1.68 1.61 1a49C1 LYS 1334 HE2 -0.01 0.01 0.00 -0.04 2.99 2.94 1a49C1 LYS 1334 HE3 -0.02 0.05 0.00 -0.04 2.99 2.98 1a49C1 LYS 1335 H -0.02 0.07 0.12 -0.55 8.42 8.03 1a49C1 LYS 1335 HA -0.01 0.15 0.04 -0.75 4.32 3.74 1a49C1 LYS 1335 HB2 -0.01 -0.12 0.02 -0.04 1.87 1.73 1a49C1 LYS 1335 HB3 -0.01 -0.03 0.11 -0.04 1.79 1.82 1a49C1 LYS 1335 HG2 -0.00 -0.02 -0.19 -0.04 1.46 1.20 1a49C1 LYS 1335 HG3 -0.01 -0.02 0.09 -0.04 1.46 1.48 1a49C1 LYS 1335 HD2 0.00 0.23 0.10 -0.04 1.69 1.98 1a49C1 LYS 1335 HD3 0.00 -0.10 0.07 -0.04 1.68 1.61 1a49C1 LYS 1335 HE2 -0.00 -0.03 -0.02 -0.04 2.99 2.91 1a49C1 LYS 1335 HE3 0.00 0.02 0.04 -0.04 2.99 3.01 1a49C1 GLY 1336 H -0.01 0.62 0.27 -0.55 8.43 8.76 1a49C1 GLY 1336 HA2 -0.01 0.00 0.40 -0.51 4.01 3.89 1a49C1 GLY 1336 HA3 -0.01 0.01 0.38 -0.51 4.01 3.88 1a49C1 ALA 1337 H -0.01 0.34 -0.70 -0.55 8.40 7.49 1a49C1 ALA 1337 HA -0.01 0.05 0.42 -0.75 4.34 4.05 1a49C1 ALA 1337 HB3 -0.02 -0.01 0.16 -0.04 1.41 1.51 1a49C1 THR 1338 H -0.01 0.17 0.27 -0.55 8.28 8.16 1a49C1 THR 1338 HA -0.01 0.25 1.15 -0.75 4.39 5.02 1a49C1 THR 1338 HB -0.01 -0.06 0.09 -0.04 4.32 4.30 1a49C1 THR 1338 HG23 -0.00 0.00 -0.19 -0.04 1.22 0.99 1a49C1 LEU 1339 H -0.00 0.81 0.40 -0.55 8.37 9.03 1a49C1 LEU 1339 HA 0.01 0.27 0.92 -0.75 4.35 4.79 1a49C1 LEU 1339 HB2 -0.00 0.04 -0.37 -0.04 1.64 1.27 1a49C1 LEU 1339 HB3 0.00 -0.09 -0.20 -0.04 1.64 1.32 1a49C1 LEU 1339 HG 0.02 -0.10 -0.43 -0.04 1.64 1.09 1a49C1 LEU 1339 HD13 0.03 0.02 -0.32 -0.04 0.93 0.62 1a49C1 LEU 1339 HD23 0.02 -0.00 -0.24 -0.04 0.89 0.62 1a49C1 LYS 1340 H 0.01 0.55 0.29 -0.55 8.42 8.71 1a49C1 LYS 1340 HA 0.03 0.32 1.46 -0.75 4.32 5.37 1a49C1 LYS 1340 HB2 -0.03 -0.01 0.00 -0.04 1.87 1.79 1a49C1 LYS 1340 HB3 -0.03 0.03 0.19 -0.04 1.79 1.94 1a49C1 LYS 1340 HG2 -0.06 -0.16 -0.37 -0.04 1.46 0.83 1a49C1 LYS 1340 HG3 0.05 0.19 -0.30 -0.04 1.46 1.37 1a49C1 LYS 1340 HD2 -0.23 -0.01 -0.19 -0.04 1.69 1.22 1a49C1 LYS 1340 HD3 -0.17 0.02 -0.10 -0.04 1.68 1.39 1a49C1 LYS 1340 HE2 -0.20 -0.04 -0.15 -0.04 2.99 2.56 1a49C1 LYS 1340 HE3 -0.21 -0.07 -0.16 -0.04 2.99 2.51 1a49C1 ILE 1341 H 0.04 0.67 0.38 -0.55 8.25 8.80 1a49C1 ILE 1341 HA 0.00 0.38 0.94 -0.75 4.18 4.75 1a49C1 ILE 1341 HB -0.01 -0.07 0.08 -0.04 1.89 1.85 1a49C1 ILE 1341 HG12 -0.01 0.02 -0.18 -0.04 1.49 1.28 1a49C1 ILE 1341 HG13 0.00 -0.02 -0.31 -0.04 1.21 0.84 1a49C1 ILE 1341 HG23 -0.08 0.01 -0.26 -0.04 0.93 0.56 1a49C1 ILE 1341 HD13 -0.02 -0.01 -0.20 -0.04 0.88 0.61 1a49C1 THR 1342 H -0.04 0.70 0.28 -0.55 8.28 8.67 1a49C1 THR 1342 HA -0.03 0.20 1.02 -0.75 4.39 4.84 1a49C1 THR 1342 HB -0.03 -0.02 -0.26 -0.04 4.32 3.96 1a49C1 THR 1342 HG23 -0.16 -0.07 -0.07 -0.04 1.22 0.88 1a49C1 LEU 1343 H -0.08 0.28 0.16 -0.55 8.37 8.19 1a49C1 LEU 1343 HA -0.55 0.18 0.70 -0.75 4.35 3.92 1a49C1 LEU 1343 HB2 -0.09 0.13 0.12 -0.04 1.64 1.76 1a49C1 LEU 1343 HB3 -0.10 -0.05 0.11 -0.04 1.64 1.56 1a49C1 LEU 1343 HG -0.31 -0.01 -0.19 -0.04 1.64 1.08 1a49C1 LEU 1343 HD13 -0.17 0.09 -0.20 -0.04 0.93 0.61 1a49C1 LEU 1343 HD23 -0.15 -0.02 -0.01 -0.04 0.89 0.67 1a49C1 ASP 1344 H 0.02 0.02 -0.15 -0.55 8.40 7.74 1a49C1 ASP 1344 HA 0.17 0.09 0.55 -0.75 4.63 4.69 1a49C1 ASP 1344 HB2 -0.02 0.03 0.03 -0.04 2.71 2.72 1a49C1 ASP 1344 HB3 -0.08 0.02 -0.01 -0.04 2.70 2.59 1a49C1 ASN 1345 H 0.29 0.30 0.26 -0.55 8.53 8.84 1a49C1 ASN 1345 HA 0.38 0.06 0.35 -0.75 4.76 4.80 1a49C1 ASN 1345 HB2 0.13 0.00 0.15 -0.04 2.88 3.12 1a49C1 ASN 1345 HB3 0.05 0.01 0.08 -0.04 2.79 2.89 1a49C1 ASN 1345 HD21 0.15 0.04 0.07 -0.04 7.03 7.25 1a49C1 ASN 1345 HD22 0.09 -0.00 0.06 -0.04 7.74 7.84 1a49C1 ALA 1346 H 0.21 0.08 -0.42 -0.55 8.40 7.73 1a49C1 ALA 1346 HA -0.01 0.09 0.21 -0.75 4.34 3.88 1a49C1 ALA 1346 HB3 0.09 0.02 0.06 -0.04 1.41 1.54 1a49C1 TYR 1347 H 0.16 -0.03 -0.89 -0.55 8.29 6.97 1a49C1 TYR 1347 HA -0.01 0.19 0.70 -0.75 4.56 4.69 1a49C1 TYR 1347 HB2 0.30 0.17 -0.15 -0.04 3.06 3.34 1a49C1 TYR 1347 HB3 0.15 -0.07 -0.16 -0.04 2.98 2.86 1a49C1 TYR 1347 HD2 0.08 -0.08 -0.40 -0.04 7.15 6.71 1a49C1 TYR 1347 HE2 0.03 -0.03 -0.08 -0.04 6.85 6.73 1a49C1 MET 1348 H -0.28 0.14 0.16 -0.55 8.47 7.94 1a49C1 MET 1348 HA -1.92 -0.00 0.35 -0.75 4.52 2.20 1a49C1 MET 1348 HB2 -1.57 -0.02 0.17 -0.04 2.15 0.69 1a49C1 MET 1348 HB3 -0.51 0.42 0.36 -0.04 2.03 2.26 1a49C1 MET 1348 HG2 -0.46 -0.01 -0.18 -0.04 2.63 1.94 1a49C1 MET 1348 HG3 -0.94 -0.03 -0.07 -0.04 2.56 1.47 1a49C1 MET 1348 HE3 -0.25 0.01 -0.01 -0.04 2.10 1.81 1a49C1 GLU 1349 H -0.25 0.17 -0.35 -0.55 8.60 7.63 1a49C1 GLU 1349 HA -0.17 0.00 0.97 -0.75 4.29 4.34 1a49C1 GLU 1349 HB2 -0.16 0.03 0.03 -0.04 2.09 1.95 1a49C1 GLU 1349 HB3 -0.11 -0.00 0.20 -0.04 1.99 2.03 1a49C1 GLU 1349 HG2 -0.12 -0.04 0.04 -0.04 2.34 2.18 1a49C1 GLU 1349 HG3 -0.20 -0.02 -0.08 -0.04 2.34 2.00 1a49C1 LYS 1350 H -0.07 1.19 -0.26 -0.55 8.42 8.72 1a49C1 LYS 1350 HA -0.04 0.04 1.07 -0.75 4.32 4.63 1a49C1 LYS 1350 HB2 -0.15 -0.00 0.21 -0.04 1.87 1.90 1a49C1 LYS 1350 HB3 -0.09 0.00 0.20 -0.04 1.79 1.86 1a49C1 LYS 1350 HG2 -0.11 0.08 -0.31 -0.04 1.46 1.08 1a49C1 LYS 1350 HG3 -0.16 -0.15 -0.34 -0.04 1.46 0.77 1a49C1 LYS 1350 HD2 -0.30 0.05 0.03 -0.04 1.69 1.43 1a49C1 LYS 1350 HD3 -0.14 -0.00 -0.01 -0.04 1.68 1.49 1a49C1 LYS 1350 HE2 -0.12 -0.01 -0.05 -0.04 2.99 2.77 1a49C1 LYS 1350 HE3 -0.16 -0.08 -0.13 -0.04 2.99 2.58 1a49C1 CYS 1351 H 0.03 0.57 0.02 -0.55 8.50 8.56 1a49C1 CYS 1351 HA 0.14 0.14 0.48 -0.75 4.58 4.59 1a49C1 CYS 1351 HB2 0.08 -0.08 -0.23 -0.04 2.97 2.70 1a49C1 CYS 1351 HB3 0.12 0.09 0.16 -0.04 2.97 3.30 1a49C1 ASP 1352 H 0.09 0.82 0.40 -0.55 8.40 9.17 1a49C1 ASP 1352 HA 0.05 0.05 0.27 -0.75 4.63 4.24 1a49C1 ASP 1352 HB2 0.03 -0.12 0.25 -0.04 2.71 2.83 1a49C1 ASP 1352 HB3 0.04 0.36 0.23 -0.04 2.70 3.29 1a49C1 GLU 1353 H 0.02 0.17 0.15 -0.55 8.60 8.40 1a49C1 GLU 1353 HA 0.01 0.09 0.27 -0.75 4.29 3.91 1a49C1 GLU 1353 HB2 -0.01 0.08 0.18 -0.04 2.09 2.29 1a49C1 GLU 1353 HB3 -0.01 -0.01 0.17 -0.04 1.99 2.10 1a49C1 GLU 1353 HG2 0.01 0.02 -0.04 -0.04 2.34 2.28 1a49C1 GLU 1353 HG3 -0.00 0.03 0.06 -0.04 2.34 2.38 1a49C1 ASN 1354 H 0.04 -0.07 -0.44 -0.55 8.53 7.51 1a49C1 ASN 1354 HA 0.02 0.26 0.79 -0.75 4.76 5.07 1a49C1 ASN 1354 HB2 0.05 -0.04 0.04 -0.04 2.88 2.89 1a49C1 ASN 1354 HB3 0.03 0.00 -0.04 -0.04 2.79 2.74 1a49C1 ASN 1354 HD21 0.01 -0.00 -0.04 -0.04 7.03 6.95 1a49C1 ASN 1354 HD22 0.01 0.13 -0.00 -0.04 7.74 7.83 1a49C1 ILE 1355 H 0.08 0.01 0.01 -0.55 8.25 7.80 1a49C1 ILE 1355 HA 0.05 0.19 0.97 -0.75 4.18 4.64 1a49C1 ILE 1355 HB 0.24 0.08 0.02 -0.04 1.89 2.19 1a49C1 ILE 1355 HG12 0.07 0.08 -0.38 -0.04 1.49 1.22 1a49C1 ILE 1355 HG13 0.12 -0.09 -0.06 -0.04 1.21 1.14 1a49C1 ILE 1355 HG23 0.07 -0.01 -0.07 -0.04 0.93 0.88 1a49C1 ILE 1355 HD13 0.31 0.02 -0.05 -0.04 0.88 1.12 1a49C1 LEU 1356 H 0.07 0.55 0.24 -0.55 8.37 8.68 1a49C1 LEU 1356 HA 0.16 0.04 0.93 -0.75 4.35 4.72 1a49C1 LEU 1356 HB2 0.07 0.08 -0.31 -0.04 1.64 1.43 1a49C1 LEU 1356 HB3 0.05 -0.01 -0.12 -0.04 1.64 1.51 1a49C1 LEU 1356 HG 0.06 -0.03 -0.37 -0.04 1.64 1.25 1a49C1 LEU 1356 HD13 0.16 -0.04 -0.00 -0.04 0.93 1.01 1a49C1 LEU 1356 HD23 0.05 -0.01 -0.21 -0.04 0.89 0.68 1a49C1 TRP 1357 H 0.38 0.13 0.03 -0.55 7.97 7.96 1a49C1 TRP 1357 HA 0.03 0.46 0.63 -0.75 4.62 4.99 1a49C1 TRP 1357 HB2 0.11 -0.03 -0.29 -0.04 3.23 2.98 1a49C1 TRP 1357 HB3 0.07 -0.01 -0.06 -0.04 3.23 3.19 1a49C1 TRP 1357 HD1 0.09 0.17 -0.46 -0.04 7.22 6.98 1a49C1 TRP 1357 HE1 0.05 -0.02 -0.49 -0.04 10.20 9.70 1a49C1 TRP 1357 HE3 0.04 -0.18 -0.65 -0.04 7.59 6.76 1a49C1 TRP 1357 HZ2 0.03 -0.04 -0.01 -0.04 7.44 7.37 1a49C1 TRP 1357 HZ3 0.02 0.25 -0.31 -0.04 7.13 7.06 1a49C1 TRP 1357 HH2 0.02 -0.02 -0.14 -0.04 7.19 7.01 1a49C1 LEU 1358 H -1.70 0.37 0.23 -0.55 8.37 6.72 1a49C1 LEU 1358 HA -0.19 0.15 0.61 -0.75 4.35 4.16 1a49C1 LEU 1358 HB2 -0.33 0.07 -0.18 -0.04 1.64 1.16 1a49C1 LEU 1358 HB3 -0.33 -0.13 -0.27 -0.04 1.64 0.87 1a49C1 LEU 1358 HG -0.09 -0.09 -0.14 -0.04 1.64 1.28 1a49C1 LEU 1358 HD13 -0.00 0.09 -0.21 -0.04 0.93 0.77 1a49C1 LEU 1358 HD23 -0.06 0.02 -0.23 -0.04 0.89 0.59 1a49C1 ASP 1359 H -0.12 0.14 0.08 -0.55 8.40 7.95 1a49C1 ASP 1359 HA 0.10 0.11 0.38 -0.75 4.63 4.46 1a49C1 ASP 1359 HB2 0.05 -0.62 0.37 -0.04 2.71 2.47 1a49C1 ASP 1359 HB3 0.06 0.09 0.09 -0.04 2.70 2.91 1a49C1 TYR 1360 H -0.07 0.06 -0.23 -0.55 8.29 7.50 1a49C1 TYR 1360 HA -0.09 0.16 0.56 -0.75 4.56 4.43 1a49C1 TYR 1360 HB2 -0.10 0.00 0.05 -0.04 3.06 2.97 1a49C1 TYR 1360 HB3 -0.13 0.01 0.17 -0.04 2.98 2.98 1a49C1 TYR 1360 HD2 -0.07 0.04 -0.03 -0.04 7.15 7.04 1a49C1 TYR 1360 HE2 -0.05 0.09 -0.19 -0.04 6.85 6.66 1a49C1 LYS 1361 H -0.18 0.28 0.19 -0.55 8.42 8.15 1a49C1 LYS 1361 HA -0.21 0.09 0.20 -0.75 4.32 3.66 1a49C1 LYS 1361 HB2 -0.16 0.00 0.09 -0.04 1.87 1.76 1a49C1 LYS 1361 HB3 -0.13 0.04 0.19 -0.04 1.79 1.85 1a49C1 LYS 1361 HG2 -0.06 0.04 0.13 -0.04 1.46 1.52 1a49C1 LYS 1361 HG3 -0.04 0.01 0.08 -0.04 1.46 1.47 1a49C1 LYS 1361 HD2 -0.07 0.00 0.07 -0.04 1.69 1.64 1a49C1 LYS 1361 HD3 -0.16 -0.06 -0.09 -0.04 1.68 1.32 1a49C1 LYS 1361 HE2 -0.02 0.07 0.02 -0.04 2.99 3.03 1a49C1 LYS 1361 HE3 0.06 -0.02 0.06 -0.04 2.99 3.05 1a49C1 ASN 1362 H -0.96 0.05 -0.61 -0.55 8.53 6.46 1a49C1 ASN 1362 HA -0.27 0.30 0.98 -0.75 4.76 5.02 1a49C1 ASN 1362 HB2 -0.35 0.05 -0.09 -0.04 2.88 2.45 1a49C1 ASN 1362 HB3 -1.10 -0.04 -0.06 -0.04 2.79 1.55 1a49C1 ASN 1362 HD21 0.04 0.11 -0.10 -0.04 7.03 7.03 1a49C1 ASN 1362 HD22 0.06 -0.04 -0.16 -0.04 7.74 7.56 1a49C1 ILE 1363 H -0.36 0.48 0.03 -0.55 8.25 7.85 1a49C1 ILE 1363 HA 0.29 0.01 0.21 -0.75 4.18 3.94 1a49C1 ILE 1363 HB 0.35 0.01 0.12 -0.04 1.89 2.33 1a49C1 ILE 1363 HG12 0.10 0.01 0.02 -0.04 1.49 1.58 1a49C1 ILE 1363 HG13 0.11 -0.05 -0.06 -0.04 1.21 1.17 1a49C1 ILE 1363 HG23 -0.07 0.02 -0.17 -0.04 0.93 0.67 1a49C1 ILE 1363 HD13 -0.02 0.01 -0.22 -0.04 0.88 0.61 1a49C1 CYS 1364 H -0.12 0.10 -0.61 -0.55 8.50 7.33 1a49C1 CYS 1364 HA -0.09 0.06 0.30 -0.75 4.58 4.10 1a49C1 CYS 1364 HB2 -0.13 0.01 0.01 -0.04 2.97 2.82 1a49C1 CYS 1364 HB3 -0.15 0.12 0.04 -0.04 2.97 2.93 1a49C1 LYS 1365 H -0.08 0.69 -0.04 -0.55 8.42 8.43 1a49C1 LYS 1365 HA -0.05 0.11 0.64 -0.75 4.32 4.27 1a49C1 LYS 1365 HB2 -0.07 0.06 0.15 -0.04 1.87 1.98 1a49C1 LYS 1365 HB3 -0.04 -0.04 0.05 -0.04 1.79 1.73 1a49C1 LYS 1365 HG2 -0.06 0.01 0.01 -0.04 1.46 1.38 1a49C1 LYS 1365 HG3 -0.09 -0.04 0.00 -0.04 1.46 1.29 1a49C1 LYS 1365 HD2 -0.08 -0.03 0.05 -0.04 1.69 1.59 1a49C1 LYS 1365 HD3 -0.06 -0.02 0.02 -0.04 1.68 1.59 1a49C1 LYS 1365 HE2 -0.08 -0.00 0.03 -0.04 2.99 2.90 1a49C1 LYS 1365 HE3 -0.11 0.04 0.10 -0.04 2.99 2.98 1a49C1 VAL 1366 H 0.02 0.16 -0.28 -0.55 8.24 7.60 1a49C1 VAL 1366 HA 0.02 0.20 0.73 -0.75 4.13 4.33 1a49C1 VAL 1366 HB 0.11 0.03 -0.11 -0.04 2.12 2.12 1a49C1 VAL 1366 HG13 0.27 -0.02 -0.18 -0.04 0.97 1.00 1a49C1 VAL 1366 HG23 0.02 -0.04 -0.24 -0.04 0.95 0.66 1a49C1 VAL 1367 H -0.01 0.30 -0.29 -0.55 8.24 7.68 1a49C1 VAL 1367 HA -0.01 0.17 0.96 -0.75 4.13 4.50 1a49C1 VAL 1367 HB -0.01 -0.04 -0.17 -0.04 2.12 1.87 1a49C1 VAL 1367 HG13 -0.03 0.11 -0.10 -0.04 0.97 0.90 1a49C1 VAL 1367 HG23 -0.03 0.00 -0.20 -0.04 0.95 0.68 1a49C1 ASP 1368 H -0.02 0.11 0.09 -0.55 8.40 8.04 1a49C1 ASP 1368 HA -0.03 0.26 0.91 -0.75 4.63 5.01 1a49C1 ASP 1368 HB2 -0.02 0.19 -0.02 -0.04 2.71 2.82 1a49C1 ASP 1368 HB3 -0.02 -0.01 0.11 -0.04 2.70 2.74 1a49C1 VAL 1369 H -0.03 0.12 0.11 -0.55 8.24 7.90 1a49C1 VAL 1369 HA -0.03 0.01 0.29 -0.75 4.13 3.65 1a49C1 VAL 1369 HB -0.02 -0.04 0.12 -0.04 2.12 2.14 1a49C1 VAL 1369 HG13 -0.01 0.03 -0.13 -0.04 0.97 0.81 1a49C1 VAL 1369 HG23 -0.03 -0.02 -0.05 -0.04 0.95 0.81 1a49C1 GLY 1370 H -0.02 0.80 0.25 -0.55 8.43 8.92 1a49C1 GLY 1370 HA2 -0.02 0.03 0.41 -0.51 4.01 3.92 1a49C1 GLY 1370 HA3 -0.01 0.07 0.65 -0.51 4.01 4.20 1a49C1 SER 1371 H -0.02 0.27 -0.78 -0.55 8.46 7.38 1a49C1 SER 1371 HA -0.02 0.04 0.38 -0.75 4.49 4.14 1a49C1 SER 1371 HB2 -0.03 0.10 0.05 -0.04 3.95 4.03 1a49C1 SER 1371 HB3 -0.02 -0.02 0.14 -0.04 3.93 4.00 1a49C1 LYS 1372 H -0.04 0.18 0.21 -0.55 8.42 8.22 1a49C1 LYS 1372 HA -0.15 0.37 1.22 -0.75 4.32 5.01 1a49C1 LYS 1372 HB2 -0.06 -0.03 0.11 -0.04 1.87 1.85 1a49C1 LYS 1372 HB3 -0.51 -0.03 -0.10 -0.04 1.79 1.12 1a49C1 LYS 1372 HG2 -0.22 -0.08 -0.10 -0.04 1.46 1.02 1a49C1 LYS 1372 HG3 -0.14 0.08 -0.12 -0.04 1.46 1.24 1a49C1 LYS 1372 HD2 -0.03 -0.01 -0.10 -0.04 1.69 1.51 1a49C1 LYS 1372 HD3 0.01 -0.03 -0.05 -0.04 1.68 1.57 1a49C1 LYS 1372 HE2 -0.05 -0.03 -0.10 -0.04 2.99 2.77 1a49C1 LYS 1372 HE3 -0.02 0.12 -0.04 -0.04 2.99 3.01 1a49C1 VAL 1373 H -0.24 1.15 0.46 -0.55 8.24 9.06 1a49C1 VAL 1373 HA -0.09 0.18 0.92 -0.75 4.13 4.38 1a49C1 VAL 1373 HB -0.09 -0.05 0.01 -0.04 2.12 1.95 1a49C1 VAL 1373 HG13 -0.03 -0.02 -0.24 -0.04 0.97 0.64 1a49C1 VAL 1373 HG23 -0.05 -0.00 -0.32 -0.04 0.95 0.54 1a49C1 TYR 1374 H 0.08 0.47 0.22 -0.55 8.29 8.50 1a49C1 TYR 1374 HA 0.02 0.37 1.14 -0.75 4.56 5.33 1a49C1 TYR 1374 HB2 0.02 0.03 0.26 -0.04 3.06 3.32 1a49C1 TYR 1374 HB3 0.03 -0.17 -0.08 -0.04 2.98 2.72 1a49C1 TYR 1374 HD2 0.01 0.13 -0.06 -0.04 7.15 7.19 1a49C1 TYR 1374 HE2 0.01 0.03 -0.08 -0.04 6.85 6.77 1a49C1 VAL 1375 H 0.12 0.74 0.27 -0.55 8.24 8.82 1a49C1 VAL 1375 HA 0.09 0.33 1.05 -0.75 4.13 4.84 1a49C1 VAL 1375 HB 0.06 0.04 -0.02 -0.04 2.12 2.16 1a49C1 VAL 1375 HG13 0.08 -0.02 -0.19 -0.04 0.97 0.80 1a49C1 VAL 1375 HG23 0.04 0.01 -0.35 -0.04 0.95 0.60 1a49C1 ASP 1376 H 0.09 0.76 0.33 -0.55 8.40 9.03 1a49C1 ASP 1376 HA 0.10 -0.14 0.46 -0.75 4.63 4.30 1a49C1 ASP 1376 HB2 0.10 -0.02 -0.14 -0.04 2.71 2.60 1a49C1 ASP 1376 HB3 0.09 0.10 0.20 -0.04 2.70 3.05 1a49C1 ASP 1377 H 0.09 0.14 -0.04 -0.55 8.40 8.04 1a49C1 ASP 1377 HA 0.06 0.03 0.15 -0.75 4.63 4.12 1a49C1 ASP 1377 HB2 0.05 0.10 -0.11 -0.04 2.71 2.72 1a49C1 ASP 1377 HB3 0.03 0.23 0.10 -0.04 2.70 3.02 1a49C1 GLY 1378 H 0.12 -0.00 -0.72 -0.55 8.43 7.28 1a49C1 GLY 1378 HA2 0.19 -0.03 0.11 -0.51 4.01 3.78 1a49C1 GLY 1378 HA3 -0.02 0.18 0.37 -0.51 4.01 4.02 1a49C1 LEU 1379 H 0.10 0.41 -0.36 -0.55 8.37 7.97 1a49C1 LEU 1379 HA 0.07 0.04 0.41 -0.75 4.35 4.12 1a49C1 LEU 1379 HB2 0.08 -0.00 0.13 -0.04 1.64 1.81 1a49C1 LEU 1379 HB3 0.09 0.05 0.22 -0.04 1.64 1.95 1a49C1 LEU 1379 HG 0.08 0.01 -0.52 -0.04 1.64 1.16 1a49C1 LEU 1379 HD13 0.07 -0.01 0.08 -0.04 0.93 1.02 1a49C1 LEU 1379 HD23 0.10 -0.05 -0.01 -0.04 0.89 0.89 1a49C1 ILE 1380 H 0.11 0.44 0.00 -0.55 8.25 8.26 1a49C1 ILE 1380 HA 0.06 0.26 0.91 -0.75 4.18 4.66 1a49C1 ILE 1380 HB 0.04 -0.14 -0.05 -0.04 1.89 1.70 1a49C1 ILE 1380 HG12 0.07 -0.10 -0.40 -0.04 1.49 1.02 1a49C1 ILE 1380 HG13 0.05 -0.07 -0.24 -0.04 1.21 0.92 1a49C1 ILE 1380 HG23 0.01 0.06 -0.21 -0.04 0.93 0.74 1a49C1 ILE 1380 HD13 0.02 0.04 -0.42 -0.04 0.88 0.48 1a49C1 SER 1381 H 0.03 0.18 0.08 -0.55 8.46 8.20 1a49C1 SER 1381 HA -0.26 0.20 0.81 -0.75 4.49 4.49 1a49C1 SER 1381 HB2 0.12 0.06 -0.07 -0.04 3.95 4.02 1a49C1 SER 1381 HB3 0.01 -0.03 0.08 -0.04 3.93 3.95 1a49C1 LEU 1382 H -0.26 0.81 0.36 -0.55 8.37 8.74 1a49C1 LEU 1382 HA -0.07 0.22 0.98 -0.75 4.35 4.73 1a49C1 LEU 1382 HB2 -0.08 -0.06 0.02 -0.04 1.64 1.48 1a49C1 LEU 1382 HB3 -0.05 0.00 -0.14 -0.04 1.64 1.41 1a49C1 LEU 1382 HG -0.04 -0.04 -0.44 -0.04 1.64 1.07 1a49C1 LEU 1382 HD13 -0.02 -0.02 -0.26 -0.04 0.93 0.60 1a49C1 LEU 1382 HD23 -0.02 0.01 -0.26 -0.04 0.89 0.58 1a49C1 GLN 1383 H -0.06 0.40 0.21 -0.55 8.47 8.47 1a49C1 GLN 1383 HA -0.08 0.41 1.16 -0.75 4.36 5.09 1a49C1 GLN 1383 HB2 -0.05 -0.01 0.03 -0.04 2.15 2.08 1a49C1 GLN 1383 HB3 -0.04 -0.05 0.19 -0.04 2.02 2.08 1a49C1 GLN 1383 HG2 -0.02 -0.13 -0.23 -0.04 2.40 1.97 1a49C1 GLN 1383 HG3 -0.03 0.21 -0.30 -0.04 2.39 2.22 1a49C1 GLN 1383 HE21 -0.01 -0.17 0.07 -0.04 6.97 6.82 1a49C1 GLN 1383 HE22 -0.03 0.67 0.15 -0.04 7.69 8.44 1a49C1 VAL 1384 H -0.05 0.65 -0.02 -0.55 8.24 8.27 1a49C1 VAL 1384 HA -0.02 -0.03 0.34 -0.75 4.13 3.67 1a49C1 VAL 1384 HB -0.04 0.09 0.03 -0.04 2.12 2.17 1a49C1 VAL 1384 HG13 -0.04 -0.01 -0.36 -0.04 0.97 0.53 1a49C1 VAL 1384 HG23 -0.04 0.00 -0.27 -0.04 0.95 0.60 1a49C1 LYS 1385 H -0.00 0.79 0.62 -0.55 8.42 9.27 1a49C1 LYS 1385 HA -0.01 0.08 0.82 -0.75 4.32 4.46 1a49C1 LYS 1385 HB2 0.01 0.19 0.12 -0.04 1.87 2.15 1a49C1 LYS 1385 HB3 0.01 -0.07 0.03 -0.04 1.79 1.72 1a49C1 LYS 1385 HG2 -0.01 0.14 0.15 -0.04 1.46 1.70 1a49C1 LYS 1385 HG3 -0.00 -0.06 -0.05 -0.04 1.46 1.31 1a49C1 LYS 1385 HD2 -0.00 -0.02 0.01 -0.04 1.69 1.64 1a49C1 LYS 1385 HD3 -0.00 -0.00 0.08 -0.04 1.68 1.72 1a49C1 LYS 1385 HE2 -0.01 0.08 -0.07 -0.04 2.99 2.94 1a49C1 LYS 1385 HE3 -0.01 -0.02 0.03 -0.04 2.99 2.95 1a49C1 GLN 1386 H 0.02 0.59 0.44 -0.55 8.47 8.98 1a49C1 GLN 1386 HA -0.00 0.10 0.46 -0.75 4.36 4.17 1a49C1 GLN 1386 HB2 0.04 0.01 0.19 -0.04 2.15 2.36 1a49C1 GLN 1386 HB3 0.03 0.21 -0.09 -0.04 2.02 2.13 1a49C1 GLN 1386 HG2 0.08 -0.05 -0.05 -0.04 2.40 2.34 1a49C1 GLN 1386 HG3 0.21 -0.05 -0.12 -0.04 2.39 2.39 1a49C1 GLN 1386 HE21 0.03 -0.00 -0.03 -0.04 6.97 6.92 1a49C1 GLN 1386 HE22 0.03 0.04 -0.09 -0.04 7.69 7.63 1a49C1 LYS 1387 H -0.06 0.28 0.20 -0.55 8.42 8.28 1a49C1 LYS 1387 HA -0.35 0.09 0.96 -0.75 4.32 4.26 1a49C1 LYS 1387 HB2 -0.24 0.19 0.09 -0.04 1.87 1.87 1a49C1 LYS 1387 HB3 -0.14 -0.05 -0.06 -0.04 1.79 1.50 1a49C1 LYS 1387 HG2 -0.08 -0.10 -0.11 -0.04 1.46 1.14 1a49C1 LYS 1387 HG3 -0.11 -0.07 0.08 -0.04 1.46 1.32 1a49C1 LYS 1387 HD2 -0.11 -0.06 -0.06 -0.04 1.69 1.42 1a49C1 LYS 1387 HD3 -0.12 0.13 0.02 -0.04 1.68 1.67 1a49C1 LYS 1387 HE2 -0.06 0.07 0.10 -0.04 2.99 3.06 1a49C1 LYS 1387 HE3 -0.06 -0.20 0.06 -0.04 2.99 2.75 1a49C1 GLY 1388 H -1.00 0.59 0.21 -0.55 8.43 7.68 1a49C1 GLY 1388 HA2 -0.29 0.24 0.90 -0.51 4.01 4.36 1a49C1 GLY 1388 HA3 -0.78 -0.08 0.34 -0.51 4.01 2.99 1a49C1 PRO 1389 HA -0.13 0.17 0.48 -0.51 4.44 4.45 1a49C1 PRO 1389 HB2 -0.04 0.05 -0.01 -0.04 2.28 2.24 1a49C1 PRO 1389 HB3 -0.05 0.07 0.11 -0.04 2.02 2.11 1a49C1 PRO 1389 HG2 0.04 -0.03 0.15 -0.04 2.03 2.14 1a49C1 PRO 1389 HG3 0.01 0.11 0.11 -0.04 2.03 2.22 1a49C1 PRO 1389 HD2 -0.00 0.03 0.21 -0.04 3.68 3.87 1a49C1 PRO 1389 HD3 -0.04 0.21 0.23 -0.04 3.65 4.01 1a49C1 ASP 1390 H -0.03 0.08 0.05 -0.55 8.40 7.95 1a49C1 ASP 1390 HA -0.03 0.10 0.39 -0.75 4.63 4.34 1a49C1 ASP 1390 HB2 0.22 -0.00 0.13 -0.04 2.71 3.01 1a49C1 ASP 1390 HB3 0.26 0.01 -0.17 -0.04 2.70 2.76 1a49C1 PHE 1391 H -0.26 0.04 -0.08 -0.55 8.34 7.49 1a49C1 PHE 1391 HA -0.10 0.21 1.06 -0.75 4.62 5.04 1a49C1 PHE 1391 HB2 -0.08 0.16 -0.01 -0.04 3.15 3.17 1a49C1 PHE 1391 HB3 -0.08 -0.12 -0.12 -0.04 3.06 2.70 1a49C1 PHE 1391 HD2 -0.05 -0.04 -0.33 -0.04 7.28 6.81 1a49C1 PHE 1391 HE2 -0.03 0.03 -0.18 -0.04 7.38 7.16 1a49C1 PHE 1391 HZ -0.03 0.08 -0.19 -0.04 7.32 7.14 1a49C1 LEU 1392 H 0.14 0.96 0.42 -0.55 8.37 9.35 1a49C1 LEU 1392 HA -0.09 0.18 1.13 -0.75 4.35 4.81 1a49C1 LEU 1392 HB2 -0.01 -0.10 0.01 -0.04 1.64 1.49 1a49C1 LEU 1392 HB3 -0.02 0.03 -0.13 -0.04 1.64 1.47 1a49C1 LEU 1392 HG -0.06 0.02 -0.22 -0.04 1.64 1.34 1a49C1 LEU 1392 HD13 -0.16 0.10 -0.08 -0.04 0.93 0.74 1a49C1 LEU 1392 HD23 -0.09 -0.06 -0.42 -0.04 0.89 0.28 1a49C1 VAL 1393 H 0.09 1.32 0.48 -0.55 8.24 9.58 1a49C1 VAL 1393 HA 0.08 0.21 1.27 -0.75 4.13 4.94 1a49C1 VAL 1393 HB 0.17 -0.02 0.14 -0.04 2.12 2.36 1a49C1 VAL 1393 HG13 0.03 -0.00 -0.10 -0.04 0.97 0.86 1a49C1 VAL 1393 HG23 0.12 -0.01 -0.20 -0.04 0.95 0.82 1a49C1 THR 1394 H 0.02 0.63 0.35 -0.55 8.28 8.73 1a49C1 THR 1394 HA -0.00 0.18 1.18 -0.75 4.39 4.99 1a49C1 THR 1394 HB -0.03 0.03 -0.27 -0.04 4.32 4.01 1a49C1 THR 1394 HG23 -0.01 0.02 -0.31 -0.04 1.22 0.88 1a49C1 GLU 1395 H -0.02 0.41 0.30 -0.55 8.60 8.74 1a49C1 GLU 1395 HA -0.01 0.25 1.17 -0.75 4.29 4.95 1a49C1 GLU 1395 HB2 -0.01 0.09 0.07 -0.04 2.09 2.20 1a49C1 GLU 1395 HB3 -0.01 -0.06 0.14 -0.04 1.99 2.02 1a49C1 GLU 1395 HG2 -0.02 -0.11 -0.09 -0.04 2.34 2.08 1a49C1 GLU 1395 HG3 -0.01 0.11 -0.48 -0.04 2.34 1.92 1a49C1 VAL 1396 H -0.01 0.61 -0.06 -0.55 8.24 8.22 1a49C1 VAL 1396 HA -0.02 0.07 0.67 -0.75 4.13 4.09 1a49C1 VAL 1396 HB -0.02 0.06 -0.02 -0.04 2.12 2.10 1a49C1 VAL 1396 HG13 -0.02 -0.06 -0.31 -0.04 0.97 0.54 1a49C1 VAL 1396 HG23 -0.01 -0.01 -0.24 -0.04 0.95 0.65 1a49C1 GLU 1397 H -0.03 0.61 0.38 -0.55 8.60 9.02 1a49C1 GLU 1397 HA -0.01 0.04 0.43 -0.75 4.29 4.00 1a49C1 GLU 1397 HB2 -0.03 -0.01 0.03 -0.04 2.09 2.03 1a49C1 GLU 1397 HB3 -0.03 0.06 0.12 -0.04 1.99 2.11 1a49C1 GLU 1397 HG2 0.00 -0.02 -0.05 -0.04 2.34 2.24 1a49C1 GLU 1397 HG3 -0.01 -0.01 0.07 -0.04 2.34 2.35 1a49C1 ASN 1398 H -0.01 0.23 0.01 -0.55 8.53 8.22 1a49C1 ASN 1398 HA 0.01 0.09 0.68 -0.75 4.76 4.78 1a49C1 ASN 1398 HB2 0.02 0.04 0.13 -0.04 2.88 3.04 1a49C1 ASN 1398 HB3 0.02 0.07 -0.00 -0.04 2.79 2.84 1a49C1 ASN 1398 HD21 0.06 0.57 0.31 -0.04 7.03 7.93 1a49C1 ASN 1398 HD22 0.03 0.13 -0.10 -0.04 7.74 7.77 1a49C1 GLY 1399 H -0.00 0.08 0.12 -0.55 8.43 8.08 1a49C1 GLY 1399 HA2 -0.04 0.12 0.32 -0.51 4.01 3.90 1a49C1 GLY 1399 HA3 -0.03 -0.06 0.39 -0.51 4.01 3.80 1a49C1 GLY 1400 H -0.13 0.58 0.40 -0.55 8.43 8.73 1a49C1 GLY 1400 HA2 -0.01 -0.00 0.37 -0.51 4.01 3.86 1a49C1 GLY 1400 HA3 0.02 0.20 0.51 -0.51 4.01 4.23 1a49C1 PHE 1401 H 0.24 0.18 0.15 -0.55 8.34 8.35 1a49C1 PHE 1401 HA 0.03 0.27 0.63 -0.75 4.62 4.79 1a49C1 PHE 1401 HB2 0.03 0.00 0.11 -0.04 3.15 3.25 1a49C1 PHE 1401 HB3 0.02 -0.02 -0.14 -0.04 3.06 2.89 1a49C1 PHE 1401 HD2 0.02 -0.05 -0.14 -0.04 7.28 7.07 1a49C1 PHE 1401 HE2 0.01 0.02 -0.10 -0.04 7.38 7.28 1a49C1 PHE 1401 HZ 0.01 0.03 -0.06 -0.04 7.32 7.26 1a49C1 LEU 1402 H 0.03 1.17 0.51 -0.55 8.37 9.53 1a49C1 LEU 1402 HA 0.09 0.13 1.00 -0.75 4.35 4.82 1a49C1 LEU 1402 HB2 0.03 0.01 -0.11 -0.04 1.64 1.54 1a49C1 LEU 1402 HB3 0.02 0.03 0.06 -0.04 1.64 1.71 1a49C1 LEU 1402 HG 0.08 0.11 -0.56 -0.04 1.64 1.22 1a49C1 LEU 1402 HD13 0.07 -0.04 -0.09 -0.04 0.93 0.83 1a49C1 LEU 1402 HD23 0.05 -0.02 -0.20 -0.04 0.89 0.67 1a49C1 GLY 1403 H 0.10 0.12 0.08 -0.55 8.43 8.20 1a49C1 GLY 1403 HA2 0.09 0.20 0.85 -0.51 4.01 4.65 1a49C1 GLY 1403 HA3 0.09 0.04 0.32 -0.51 4.01 3.94 1a49C1 SER 1404 H 0.07 0.25 0.11 -0.55 8.46 8.34 1a49C1 SER 1404 HA 0.08 0.23 0.72 -0.75 4.49 4.77 1a49C1 SER 1404 HB2 0.06 0.12 -0.01 -0.04 3.95 4.08 1a49C1 SER 1404 HB3 0.04 -0.28 0.16 -0.04 3.93 3.81 1a49C1 LYS 1405 H 0.09 0.46 -0.04 -0.55 8.42 8.36 1a49C1 LYS 1405 HA 0.08 0.30 0.14 -0.75 4.32 4.09 1a49C1 LYS 1405 HB2 0.18 -0.01 -0.25 -0.04 1.87 1.75 1a49C1 LYS 1405 HB3 -0.11 0.15 0.28 -0.04 1.79 2.06 1a49C1 LYS 1405 HG2 0.02 -0.07 -0.06 -0.04 1.46 1.31 1a49C1 LYS 1405 HG3 0.03 -0.10 -0.03 -0.04 1.46 1.32 1a49C1 LYS 1405 HD2 -0.04 0.16 0.13 -0.04 1.69 1.90 1a49C1 LYS 1405 HD3 0.01 -0.02 0.04 -0.04 1.68 1.68 1a49C1 LYS 1405 HE2 -0.03 -0.17 0.01 -0.04 2.99 2.76 1a49C1 LYS 1405 HE3 -0.02 0.21 -0.07 -0.04 2.99 3.06 1a49C1 LYS 1406 H 0.11 0.04 -0.41 -0.55 8.42 7.61 1a49C1 LYS 1406 HA 0.14 0.17 0.51 -0.75 4.32 4.38 1a49C1 LYS 1406 HB2 0.10 0.04 -0.07 -0.04 1.87 1.90 1a49C1 LYS 1406 HB3 0.10 -0.17 0.08 -0.04 1.79 1.76 1a49C1 LYS 1406 HG2 0.11 0.10 -0.48 -0.04 1.46 1.15 1a49C1 LYS 1406 HG3 0.11 -0.04 -0.06 -0.04 1.46 1.43 1a49C1 LYS 1406 HD2 0.20 -0.02 -0.06 -0.04 1.69 1.76 1a49C1 LYS 1406 HD3 0.20 0.67 -0.30 -0.04 1.68 2.20 1a49C1 LYS 1406 HE2 0.12 -0.06 -0.03 -0.04 2.99 2.98 1a49C1 LYS 1406 HE3 0.17 -0.02 -0.05 -0.04 2.99 3.05 1a49C1 GLY 1407 H 0.10 0.05 0.21 -0.55 8.43 8.25 1a49C1 GLY 1407 HA2 0.06 0.36 0.89 -0.51 4.01 4.81 1a49C1 GLY 1407 HA3 0.09 -0.02 0.33 -0.51 4.01 3.90 1a49C1 VAL 1408 H 0.02 0.53 0.28 -0.55 8.24 8.53 1a49C1 VAL 1408 HA 0.07 0.50 1.06 -0.75 4.13 5.01 1a49C1 VAL 1408 HB -0.02 -0.09 0.01 -0.04 2.12 1.98 1a49C1 VAL 1408 HG13 0.00 0.02 -0.23 -0.04 0.97 0.72 1a49C1 VAL 1408 HG23 0.03 -0.01 -0.24 -0.04 0.95 0.69 1a49C1 ASN 1409 H 0.13 0.71 0.25 -0.55 8.53 9.07 1a49C1 ASN 1409 HA 0.03 0.16 1.03 -0.75 4.76 5.22 1a49C1 ASN 1409 HB2 0.09 -0.03 0.03 -0.04 2.88 2.93 1a49C1 ASN 1409 HB3 0.05 0.09 -0.06 -0.04 2.79 2.83 1a49C1 ASN 1409 HD21 0.12 -0.06 -0.31 -0.04 7.03 6.73 1a49C1 ASN 1409 HD22 0.10 0.02 -0.44 -0.04 7.74 7.38 1a49C1 LEU 1410 H -0.00 0.18 -0.09 -0.55 8.37 7.90 1a49C1 LEU 1410 HA 0.07 0.25 0.81 -0.75 4.35 4.72 1a49C1 LEU 1410 HB2 -0.06 -0.08 0.11 -0.04 1.64 1.57 1a49C1 LEU 1410 HB3 -0.02 0.08 0.07 -0.04 1.64 1.73 1a49C1 LEU 1410 HG -0.02 0.06 -0.09 -0.04 1.64 1.56 1a49C1 LEU 1410 HD13 0.01 0.02 -0.18 -0.04 0.93 0.74 1a49C1 LEU 1410 HD23 -0.09 -0.03 -0.14 -0.04 0.89 0.58 1a49C1 PRO 1411 HA 0.03 -0.07 0.55 -0.51 4.44 4.44 1a49C1 PRO 1411 HB2 0.05 0.03 0.02 -0.04 2.28 2.34 1a49C1 PRO 1411 HB3 -0.01 0.17 0.10 -0.04 2.02 2.24 1a49C1 PRO 1411 HG2 0.37 0.02 0.02 -0.04 2.03 2.40 1a49C1 PRO 1411 HG3 0.06 0.03 -0.04 -0.04 2.03 2.03 1a49C1 PRO 1411 HD2 0.19 0.18 0.16 -0.04 3.68 4.16 1a49C1 PRO 1411 HD3 0.35 0.66 -0.17 -0.04 3.65 4.44 1a49C1 GLY 1412 H 0.01 0.05 0.26 -0.55 8.43 8.20 1a49C1 GLY 1412 HA2 -0.01 -0.05 0.35 -0.51 4.01 3.78 1a49C1 GLY 1412 HA3 -0.00 0.05 0.29 -0.51 4.01 3.84 1a49C1 ALA 1413 H -0.01 0.18 0.09 -0.55 8.40 8.12 1a49C1 ALA 1413 HA -0.00 0.11 0.77 -0.75 4.34 4.46 1a49C1 ALA 1413 HB3 -0.00 0.08 -0.07 -0.04 1.41 1.37 1a49C1 ALA 1414 H 0.00 0.23 0.11 -0.55 8.40 8.20 1a49C1 ALA 1414 HA -0.00 0.04 0.44 -0.75 4.34 4.06 1a49C1 ALA 1414 HB3 0.01 0.02 0.08 -0.04 1.41 1.47 1a49C1 VAL 1415 H -0.04 0.34 0.39 -0.55 8.24 8.39 1a49C1 VAL 1415 HA 0.03 0.08 0.74 -0.75 4.13 4.22 1a49C1 VAL 1415 HB -0.26 -0.08 0.01 -0.04 2.12 1.75 1a49C1 VAL 1415 HG13 -0.49 0.00 -0.10 -0.04 0.97 0.33 1a49C1 VAL 1415 HG23 -0.13 0.10 0.19 -0.04 0.95 1.07 1a49C1 ASP 1416 H 0.12 0.16 0.04 -0.55 8.40 8.17 1a49C1 ASP 1416 HA 0.02 0.19 0.62 -0.75 4.63 4.71 1a49C1 ASP 1416 HB2 0.04 0.00 0.14 -0.04 2.71 2.85 1a49C1 ASP 1416 HB3 0.04 0.05 -0.00 -0.04 2.70 2.75 1a49C1 LEU 1417 H -0.03 0.15 -0.53 -0.55 8.37 7.42 1a49C1 LEU 1417 HA 0.04 0.15 0.57 -0.75 4.35 4.36 1a49C1 LEU 1417 HB2 -0.09 0.05 -0.05 -0.04 1.64 1.51 1a49C1 LEU 1417 HB3 -0.02 0.07 0.02 -0.04 1.64 1.66 1a49C1 LEU 1417 HG 0.04 -0.13 -0.18 -0.04 1.64 1.32 1a49C1 LEU 1417 HD13 -0.20 0.01 -0.28 -0.04 0.93 0.42 1a49C1 LEU 1417 HD23 0.11 0.01 -0.03 -0.04 0.89 0.93 1a49C1 PRO 1418 HA 0.02 0.11 0.52 -0.51 4.44 4.58 1a49C1 PRO 1418 HB2 0.03 -0.08 -0.28 -0.04 2.28 1.90 1a49C1 PRO 1418 HB3 0.03 0.09 0.02 -0.04 2.02 2.12 1a49C1 PRO 1418 HG2 0.03 -0.08 0.02 -0.04 2.03 1.96 1a49C1 PRO 1418 HG3 0.03 0.08 0.05 -0.04 2.03 2.15 1a49C1 PRO 1418 HD2 0.03 0.06 0.18 -0.04 3.68 3.91 1a49C1 PRO 1418 HD3 0.04 0.25 0.23 -0.04 3.65 4.13 1a49C1 ALA 1419 H 0.03 0.15 0.12 -0.55 8.40 8.15 1a49C1 ALA 1419 HA 0.04 0.13 0.36 -0.75 4.34 4.11 1a49C1 ALA 1419 HB3 0.03 0.00 0.11 -0.04 1.41 1.51 1a49C1 VAL 1420 H 0.03 0.09 -0.23 -0.55 8.24 7.58 1a49C1 VAL 1420 HA 0.04 0.16 1.00 -0.75 4.13 4.58 1a49C1 VAL 1420 HB 0.03 -0.01 0.07 -0.04 2.12 2.18 1a49C1 VAL 1420 HG13 0.03 0.03 -0.11 -0.04 0.97 0.88 1a49C1 VAL 1420 HG23 0.03 0.01 -0.32 -0.04 0.95 0.63 1a49C1 SER 1421 H 0.04 0.20 -0.02 -0.55 8.46 8.13 1a49C1 SER 1421 HA 0.04 0.14 0.33 -0.75 4.49 4.24 1a49C1 SER 1421 HB2 0.06 -0.38 0.10 -0.04 3.95 3.69 1a49C1 SER 1421 HB3 0.05 -0.05 0.17 -0.04 3.93 4.06 1a49C1 GLU 1422 H 0.04 0.20 0.22 -0.55 8.60 8.51 1a49C1 GLU 1422 HA 0.04 0.21 0.54 -0.75 4.29 4.33 1a49C1 GLU 1422 HB2 0.03 0.08 0.15 -0.04 2.09 2.31 1a49C1 GLU 1422 HB3 0.03 -0.03 0.16 -0.04 1.99 2.12 1a49C1 GLU 1422 HG2 0.04 -0.02 0.10 -0.04 2.34 2.41 1a49C1 GLU 1422 HG3 0.03 0.06 0.04 -0.04 2.34 2.43 1a49C1 LYS 1423 H 0.05 0.05 -0.06 -0.55 8.42 7.90 1a49C1 LYS 1423 HA 0.06 0.14 0.41 -0.75 4.32 4.18 1a49C1 LYS 1423 HB2 0.06 -0.07 0.09 -0.04 1.87 1.91 1a49C1 LYS 1423 HB3 0.09 0.08 -0.10 -0.04 1.79 1.82 1a49C1 LYS 1423 HG2 0.03 0.04 0.04 -0.04 1.46 1.52 1a49C1 LYS 1423 HG3 0.04 -0.02 0.05 -0.04 1.46 1.48 1a49C1 LYS 1423 HD2 0.06 0.03 0.00 -0.04 1.69 1.74 1a49C1 LYS 1423 HD3 0.03 0.04 0.01 -0.04 1.68 1.72 1a49C1 LYS 1423 HE2 0.05 -0.04 0.04 -0.04 2.99 3.00 1a49C1 LYS 1423 HE3 0.07 0.02 0.04 -0.04 2.99 3.08 1a49C1 ASP 1424 H 0.06 -0.07 -0.33 -0.55 8.40 7.52 1a49C1 ASP 1424 HA 0.07 -0.03 0.38 -0.75 4.63 4.29 1a49C1 ASP 1424 HB2 0.05 0.26 0.02 -0.04 2.71 2.99 1a49C1 ASP 1424 HB3 0.05 0.13 0.02 -0.04 2.70 2.85 1a49C1 ILE 1425 H 0.05 0.97 -0.25 -0.55 8.25 8.47 1a49C1 ILE 1425 HA 0.04 0.02 0.18 -0.75 4.18 3.66 1a49C1 ILE 1425 HB 0.05 0.28 0.27 -0.04 1.89 2.45 1a49C1 ILE 1425 HG12 0.04 -0.03 0.02 -0.04 1.49 1.48 1a49C1 ILE 1425 HG13 0.04 0.30 0.00 -0.04 1.21 1.51 1a49C1 ILE 1425 HG23 0.05 -0.01 -0.14 -0.04 0.93 0.79 1a49C1 ILE 1425 HD13 0.03 -0.04 0.02 -0.04 0.88 0.86 1a49C1 GLN 1426 H 0.08 0.56 -0.13 -0.55 8.47 8.43 1a49C1 GLN 1426 HA 0.13 -0.01 0.39 -0.75 4.36 4.11 1a49C1 GLN 1426 HB2 0.08 0.02 0.19 -0.04 2.15 2.40 1a49C1 GLN 1426 HB3 0.13 0.27 0.31 -0.04 2.02 2.69 1a49C1 GLN 1426 HG2 0.26 -0.01 -0.16 -0.04 2.40 2.45 1a49C1 GLN 1426 HG3 0.14 -0.01 0.03 -0.04 2.39 2.50 1a49C1 GLN 1426 HE21 -0.17 -0.02 0.01 -0.04 6.97 6.75 1a49C1 GLN 1426 HE22 -0.43 -0.02 0.00 -0.04 7.69 7.21 1a49C1 ASP 1427 H 0.16 0.81 0.03 -0.55 8.40 8.85 1a49C1 ASP 1427 HA 0.14 -0.04 0.46 -0.75 4.63 4.44 1a49C1 ASP 1427 HB2 0.05 0.04 0.17 -0.04 2.71 2.93 1a49C1 ASP 1427 HB3 -0.22 -0.05 0.00 -0.04 2.70 2.39 1a49C1 LEU 1428 H 0.03 0.75 -0.05 -0.55 8.37 8.56 1a49C1 LEU 1428 HA -0.07 -0.05 0.31 -0.75 4.35 3.79 1a49C1 LEU 1428 HB2 0.02 0.19 0.09 -0.04 1.64 1.90 1a49C1 LEU 1428 HB3 -0.00 0.08 -0.19 -0.04 1.64 1.49 1a49C1 LEU 1428 HG 0.00 -0.06 -0.16 -0.04 1.64 1.38 1a49C1 LEU 1428 HD13 0.02 -0.01 -0.12 -0.04 0.93 0.78 1a49C1 LEU 1428 HD23 -0.03 -0.01 -0.09 -0.04 0.89 0.72 1a49C1 LYS 1429 H 0.06 0.72 -0.06 -0.55 8.42 8.58 1a49C1 LYS 1429 HA 0.01 0.07 0.44 -0.75 4.32 4.09 1a49C1 LYS 1429 HB2 0.10 0.06 0.11 -0.04 1.87 2.10 1a49C1 LYS 1429 HB3 0.06 -0.06 0.06 -0.04 1.79 1.80 1a49C1 LYS 1429 HG2 0.04 0.03 0.04 -0.04 1.46 1.53 1a49C1 LYS 1429 HG3 0.06 -0.08 -0.05 -0.04 1.46 1.35 1a49C1 LYS 1429 HD2 0.04 -0.06 0.01 -0.04 1.69 1.63 1a49C1 LYS 1429 HD3 0.03 0.06 0.02 -0.04 1.68 1.75 1a49C1 LYS 1429 HE2 0.03 -0.05 -0.00 -0.04 2.99 2.93 1a49C1 LYS 1429 HE3 0.03 -0.07 -0.00 -0.04 2.99 2.91 1a49C1 PHE 1430 H 0.16 0.49 -0.28 -0.55 8.34 8.16 1a49C1 PHE 1430 HA -0.05 -0.01 0.43 -0.75 4.62 4.24 1a49C1 PHE 1430 HB2 -0.24 -0.01 0.14 -0.04 3.15 3.00 1a49C1 PHE 1430 HB3 -0.32 0.26 0.31 -0.04 3.06 3.27 1a49C1 PHE 1430 HD2 -0.16 0.03 -0.00 -0.04 7.28 7.10 1a49C1 PHE 1430 HE2 0.26 -0.01 -0.06 -0.04 7.38 7.53 1a49C1 PHE 1430 HZ 0.13 0.04 0.01 -0.04 7.32 7.46 1a49C1 GLY 1431 H -0.14 0.62 -0.02 -0.55 8.43 8.34 1a49C1 GLY 1431 HA2 -0.46 0.02 0.50 -0.51 4.01 3.55 1a49C1 GLY 1431 HA3 -0.26 0.05 0.29 -0.51 4.01 3.58 1a49C1 VAL 1432 H -0.12 0.44 -0.29 -0.55 8.24 7.73 1a49C1 VAL 1432 HA -0.08 0.06 0.44 -0.75 4.13 3.80 1a49C1 VAL 1432 HB -0.04 0.17 0.16 -0.04 2.12 2.38 1a49C1 VAL 1432 HG13 -0.03 -0.02 -0.13 -0.04 0.97 0.76 1a49C1 VAL 1432 HG23 -0.04 0.07 0.04 -0.04 0.95 0.98 1a49C1 GLU 1433 H -0.16 0.31 -0.33 -0.55 8.60 7.87 1a49C1 GLU 1433 HA -0.07 0.09 0.65 -0.75 4.29 4.21 1a49C1 GLU 1433 HB2 -0.13 0.11 0.14 -0.04 2.09 2.17 1a49C1 GLU 1433 HB3 -0.04 -0.07 0.09 -0.04 1.99 1.93 1a49C1 GLU 1433 HG2 -0.03 0.26 0.11 -0.04 2.34 2.63 1a49C1 GLU 1433 HG3 0.03 -0.09 0.01 -0.04 2.34 2.25 1a49C1 GLN 1434 H -0.33 0.20 -0.25 -0.55 8.47 7.55 1a49C1 GLN 1434 HA -0.19 0.06 0.60 -0.75 4.36 4.07 1a49C1 GLN 1434 HB2 -0.45 -0.05 0.25 -0.04 2.15 1.86 1a49C1 GLN 1434 HB3 -0.25 -0.06 0.08 -0.04 2.02 1.75 1a49C1 GLN 1434 HG2 -1.42 0.33 0.04 -0.04 2.40 1.31 1a49C1 GLN 1434 HG3 -0.97 -0.13 -0.05 -0.04 2.39 1.20 1a49C1 GLN 1434 HE21 -0.01 -0.02 -0.04 -0.04 6.97 6.85 1a49C1 GLN 1434 HE22 -0.26 -0.02 -0.05 -0.04 7.69 7.32 1a49C1 ASP 1435 H -0.12 0.10 -0.81 -0.55 8.40 7.02 1a49C1 ASP 1435 HA -0.06 0.09 0.27 -0.75 4.63 4.18 1a49C1 ASP 1435 HB2 -0.04 -0.00 -0.12 -0.04 2.71 2.51 1a49C1 ASP 1435 HB3 -0.03 0.06 0.09 -0.04 2.70 2.78 1a49C1 VAL 1436 H -0.11 0.38 -0.07 -0.55 8.24 7.90 1a49C1 VAL 1436 HA -0.06 0.04 0.52 -0.75 4.13 3.88 1a49C1 VAL 1436 HB -0.13 0.01 0.05 -0.04 2.12 2.02 1a49C1 VAL 1436 HG13 -0.15 -0.02 -0.05 -0.04 0.97 0.70 1a49C1 VAL 1436 HG23 -0.12 0.10 -0.15 -0.04 0.95 0.73 1a49C1 ASP 1437 H -0.04 0.43 0.39 -0.55 8.40 8.64 1a49C1 ASP 1437 HA 0.00 0.21 0.72 -0.75 4.63 4.80 1a49C1 ASP 1437 HB2 0.02 -0.05 0.04 -0.04 2.71 2.68 1a49C1 ASP 1437 HB3 0.04 0.02 0.12 -0.04 2.70 2.84 1a49C1 MET 1438 H -0.09 0.27 0.22 -0.55 8.47 8.33 1a49C1 MET 1438 HA -0.01 0.24 0.73 -0.75 4.52 4.73 1a49C1 MET 1438 HB2 0.08 -0.02 -0.02 -0.04 2.15 2.15 1a49C1 MET 1438 HB3 0.05 0.13 -0.13 -0.04 2.03 2.04 1a49C1 MET 1438 HG2 -0.05 -0.04 -0.18 -0.04 2.63 2.32 1a49C1 MET 1438 HG3 -0.23 -0.17 -0.29 -0.04 2.56 1.83 1a49C1 MET 1438 HE3 0.09 0.02 -0.20 -0.04 2.10 1.97 1a49C1 VAL 1439 H 0.02 0.69 0.28 -0.55 8.24 8.69 1a49C1 VAL 1439 HA -0.19 0.19 1.05 -0.75 4.13 4.43 1a49C1 VAL 1439 HB -0.01 0.06 0.01 -0.04 2.12 2.14 1a49C1 VAL 1439 HG13 -0.01 -0.03 -0.36 -0.04 0.97 0.53 1a49C1 VAL 1439 HG23 -0.09 -0.00 -0.27 -0.04 0.95 0.55 1a49C1 PHE 1440 H -0.10 0.80 0.21 -0.55 8.34 8.71 1a49C1 PHE 1440 HA -0.02 0.34 0.85 -0.75 4.62 5.04 1a49C1 PHE 1440 HB2 0.01 -0.15 0.16 -0.04 3.15 3.13 1a49C1 PHE 1440 HB3 -0.00 -0.04 -0.07 -0.04 3.06 2.90 1a49C1 PHE 1440 HD2 0.00 0.02 -0.48 -0.04 7.28 6.78 1a49C1 PHE 1440 HE2 -0.00 0.04 -0.31 -0.04 7.38 7.06 1a49C1 PHE 1440 HZ -0.01 0.07 -0.32 -0.04 7.32 7.03 1a49C1 ALA 1441 H 0.10 0.87 0.17 -0.55 8.40 8.99 1a49C1 ALA 1441 HA 0.07 0.03 0.76 -0.75 4.34 4.44 1a49C1 ALA 1441 HB3 0.04 0.01 -0.03 -0.04 1.41 1.39 1a49C1 SER 1442 H 0.11 0.11 0.06 -0.55 8.46 8.20 1a49C1 SER 1442 HA 0.01 -0.05 0.37 -0.75 4.49 4.07 1a49C1 SER 1442 HB2 0.31 0.15 -0.23 -0.04 3.95 4.13 1a49C1 SER 1442 HB3 0.15 -0.13 -0.02 -0.04 3.93 3.90 1a49C1 PHE 1443 H -0.26 0.04 0.10 -0.55 8.34 7.67 1a49C1 PHE 1443 HA 0.01 -0.08 0.29 -0.75 4.62 4.09 1a49C1 PHE 1443 HB2 0.02 0.11 -0.10 -0.04 3.15 3.14 1a49C1 PHE 1443 HB3 0.01 -0.02 0.12 -0.04 3.06 3.13 1a49C1 PHE 1443 HD2 0.01 -0.01 -0.20 -0.04 7.28 7.04 1a49C1 PHE 1443 HE2 0.01 0.04 -0.05 -0.04 7.38 7.34 1a49C1 PHE 1443 HZ 0.01 -0.05 -0.02 -0.04 7.32 7.21 1a49C1 ILE 1444 H 0.01 0.46 0.06 -0.55 8.25 8.24 1a49C1 ILE 1444 HA 0.06 0.08 0.64 -0.75 4.18 4.21 1a49C1 ILE 1444 HB 0.01 0.07 0.01 -0.04 1.89 1.94 1a49C1 ILE 1444 HG12 0.04 0.12 -0.37 -0.04 1.49 1.24 1a49C1 ILE 1444 HG13 0.01 -0.02 -0.06 -0.04 1.21 1.10 1a49C1 ILE 1444 HG23 -0.02 -0.02 -0.18 -0.04 0.93 0.67 1a49C1 ILE 1444 HD13 0.02 -0.01 -0.17 -0.04 0.88 0.67 1a49C1 ARG 1445 H 0.04 0.12 0.19 -0.55 8.46 8.26 1a49C1 ARG 1445 HA 0.04 0.10 0.86 -0.75 4.34 4.59 1a49C1 ARG 1445 HB2 0.05 0.04 0.05 -0.04 1.90 2.00 1a49C1 ARG 1445 HB3 0.04 -0.00 -0.04 -0.04 1.80 1.76 1a49C1 ARG 1445 HG2 0.07 -0.16 -0.01 -0.04 1.67 1.53 1a49C1 ARG 1445 HG3 0.10 0.03 -0.28 -0.04 1.67 1.48 1a49C1 ARG 1445 HD2 0.04 0.01 -0.01 -0.04 3.22 3.22 1a49C1 ARG 1445 HD3 0.08 0.03 -0.03 -0.04 3.22 3.25 1a49C1 LYS 1446 H 0.00 0.16 0.11 -0.55 8.42 8.14 1a49C1 LYS 1446 HA -0.02 0.22 0.47 -0.75 4.32 4.24 1a49C1 LYS 1446 HB2 0.00 0.01 0.04 -0.04 1.87 1.88 1a49C1 LYS 1446 HB3 0.01 0.26 -0.21 -0.04 1.79 1.81 1a49C1 LYS 1446 HG2 0.01 -0.16 -0.03 -0.04 1.46 1.24 1a49C1 LYS 1446 HG3 0.02 -0.13 -0.17 -0.04 1.46 1.14 1a49C1 LYS 1446 HD2 0.02 0.06 -0.08 -0.04 1.69 1.65 1a49C1 LYS 1446 HD3 0.02 0.11 -0.14 -0.04 1.68 1.63 1a49C1 LYS 1446 HE2 0.03 0.09 -0.07 -0.04 2.99 2.99 1a49C1 LYS 1446 HE3 0.03 -0.14 -0.05 -0.04 2.99 2.78 1a49C1 ALA 1447 H -0.04 0.27 0.03 -0.55 8.40 8.11 1a49C1 ALA 1447 HA -0.16 0.10 0.23 -0.75 4.34 3.75 1a49C1 ALA 1447 HB3 -0.09 0.09 -0.06 -0.04 1.41 1.31 1a49C1 ALA 1448 H 0.02 0.09 -0.37 -0.55 8.40 7.59 1a49C1 ALA 1448 HA 0.23 0.10 0.37 -0.75 4.34 4.28 1a49C1 ALA 1448 HB3 0.06 0.02 0.01 -0.04 1.41 1.46 1a49C1 ASP 1449 H -0.01 0.60 -0.15 -0.55 8.40 8.30 1a49C1 ASP 1449 HA 0.02 0.03 0.44 -0.75 4.63 4.36 1a49C1 ASP 1449 HB2 -0.00 0.02 0.19 -0.04 2.71 2.87 1a49C1 ASP 1449 HB3 0.02 0.08 0.11 -0.04 2.70 2.87 1a49C1 VAL 1450 H -0.12 0.22 -0.22 -0.55 8.24 7.56 1a49C1 VAL 1450 HA -0.06 0.00 0.17 -0.75 4.13 3.49 1a49C1 VAL 1450 HB -0.40 0.13 0.07 -0.04 2.12 1.88 1a49C1 VAL 1450 HG13 -0.10 0.04 -0.24 -0.04 0.97 0.63 1a49C1 VAL 1450 HG23 -0.12 -0.01 -0.07 -0.04 0.95 0.71 1a49C1 HIS 1451 H -0.35 0.51 -0.01 -0.55 8.41 8.02 1a49C1 HIS 1451 HA 0.00 0.11 0.48 -0.75 4.63 4.46 1a49C1 HIS 1451 HB2 0.00 0.05 0.14 -0.04 3.26 3.42 1a49C1 HIS 1451 HB3 0.00 -0.01 0.03 -0.04 3.20 3.18 1a49C1 HIS 1451 HD2 -0.00 0.05 0.03 -0.04 6.97 7.00 1a49C1 HIS 1451 HE1 -0.01 -0.06 -0.08 -0.04 7.75 7.55 1a49C1 GLU 1452 H 0.08 0.45 -0.30 -0.55 8.60 8.29 1a49C1 GLU 1452 HA 0.06 0.00 0.38 -0.75 4.29 3.97 1a49C1 GLU 1452 HB2 0.04 0.18 0.21 -0.04 2.09 2.47 1a49C1 GLU 1452 HB3 0.03 -0.05 -0.10 -0.04 1.99 1.83 1a49C1 GLU 1452 HG2 0.04 -0.02 0.04 -0.04 2.34 2.37 1a49C1 GLU 1452 HG3 0.05 0.04 0.03 -0.04 2.34 2.42 1a49C1 VAL 1453 H 0.02 0.48 -0.05 -0.55 8.24 8.13 1a49C1 VAL 1453 HA 0.02 -0.03 0.51 -0.75 4.13 3.88 1a49C1 VAL 1453 HB 0.00 0.11 0.06 -0.04 2.12 2.25 1a49C1 VAL 1453 HG13 0.01 -0.01 -0.26 -0.04 0.97 0.67 1a49C1 VAL 1453 HG23 0.02 -0.00 -0.06 -0.04 0.95 0.87 1a49C1 ARG 1454 H 0.02 0.98 0.00 -0.55 8.46 8.91 1a49C1 ARG 1454 HA 0.02 0.07 0.43 -0.75 4.34 4.12 1a49C1 ARG 1454 HB2 0.04 0.15 0.16 -0.04 1.90 2.21 1a49C1 ARG 1454 HB3 0.08 0.12 0.20 -0.04 1.80 2.16 1a49C1 ARG 1454 HG2 0.08 -0.06 -0.03 -0.04 1.67 1.62 1a49C1 ARG 1454 HG3 0.04 0.02 0.03 -0.04 1.67 1.72 1a49C1 ARG 1454 HD2 0.03 -0.01 -0.02 -0.04 3.22 3.18 1a49C1 ARG 1454 HD3 0.07 -0.01 0.01 -0.04 3.22 3.25 1a49C1 LYS 1455 H 0.05 0.86 -0.09 -0.55 8.42 8.69 1a49C1 LYS 1455 HA 0.03 -0.04 0.37 -0.75 4.32 3.93 1a49C1 LYS 1455 HB2 0.05 0.13 0.13 -0.04 1.87 2.14 1a49C1 LYS 1455 HB3 0.04 0.28 0.27 -0.04 1.79 2.33 1a49C1 LYS 1455 HG2 0.02 -0.02 -0.10 -0.04 1.46 1.32 1a49C1 LYS 1455 HG3 0.02 -0.04 0.01 -0.04 1.46 1.42 1a49C1 LYS 1455 HD2 0.03 0.01 0.04 -0.04 1.69 1.73 1a49C1 LYS 1455 HD3 0.02 -0.04 -0.02 -0.04 1.68 1.60 1a49C1 LYS 1455 HE2 0.02 -0.02 -0.02 -0.04 2.99 2.93 1a49C1 LYS 1455 HE3 0.03 0.03 -0.05 -0.04 2.99 2.95 1a49C1 ILE 1456 H 0.03 0.49 -0.10 -0.55 8.25 8.12 1a49C1 ILE 1456 HA 0.02 -0.02 0.35 -0.75 4.18 3.77 1a49C1 ILE 1456 HB 0.02 0.12 -0.03 -0.04 1.89 1.95 1a49C1 ILE 1456 HG12 0.03 0.14 0.08 -0.04 1.49 1.69 1a49C1 ILE 1456 HG13 0.03 -0.13 -0.01 -0.04 1.21 1.06 1a49C1 ILE 1456 HG23 0.02 -0.04 -0.06 -0.04 0.93 0.82 1a49C1 ILE 1456 HD13 0.03 -0.07 -0.03 -0.04 0.88 0.77 1a49C1 LEU 1457 H 0.01 0.46 -0.46 -0.55 8.37 7.84 1a49C1 LEU 1457 HA -0.00 -0.05 0.55 -0.75 4.35 4.09 1a49C1 LEU 1457 HB2 0.01 0.12 0.20 -0.04 1.64 1.92 1a49C1 LEU 1457 HB3 0.00 0.13 0.00 -0.04 1.64 1.74 1a49C1 LEU 1457 HG -0.01 -0.02 -0.02 -0.04 1.64 1.55 1a49C1 LEU 1457 HD13 -0.02 -0.04 -0.12 -0.04 0.93 0.71 1a49C1 LEU 1457 HD23 -0.00 0.04 -0.17 -0.04 0.89 0.71 1a49C1 GLY 1458 H 0.02 0.33 -0.39 -0.55 8.43 7.84 1a49C1 GLY 1458 HA2 0.01 0.05 0.31 -0.51 4.01 3.87 1a49C1 GLY 1458 HA3 0.01 -0.07 0.30 -0.51 4.01 3.74 1a49C1 GLU 1459 H 0.01 0.09 0.16 -0.55 8.60 8.32 1a49C1 GLU 1459 HA 0.01 0.12 0.33 -0.75 4.29 4.00 1a49C1 GLU 1459 HB2 0.01 -0.02 0.15 -0.04 2.09 2.19 1a49C1 GLU 1459 HB3 0.01 0.03 -0.07 -0.04 1.99 1.91 1a49C1 GLU 1459 HG2 0.01 0.03 0.01 -0.04 2.34 2.35 1a49C1 GLU 1459 HG3 0.01 -0.01 0.02 -0.04 2.34 2.32 1a49C1 LYS 1460 H 0.01 0.10 0.03 -0.55 8.42 8.00 1a49C1 LYS 1460 HA 0.00 0.03 0.46 -0.75 4.32 4.06 1a49C1 LYS 1460 HB2 0.00 -0.07 0.14 -0.04 1.87 1.91 1a49C1 LYS 1460 HB3 -0.01 0.11 0.01 -0.04 1.79 1.86 1a49C1 LYS 1460 HG2 -0.01 0.06 0.09 -0.04 1.46 1.55 1a49C1 LYS 1460 HG3 -0.00 -0.05 0.10 -0.04 1.46 1.47 1a49C1 LYS 1460 HD2 0.00 -0.06 0.03 -0.04 1.69 1.62 1a49C1 LYS 1460 HD3 -0.01 0.05 -0.02 -0.04 1.68 1.66 1a49C1 LYS 1460 HE2 -0.01 0.06 0.03 -0.04 2.99 3.03 1a49C1 LYS 1460 HE3 -0.00 -0.05 0.03 -0.04 2.99 2.93 1a49C1 GLY 1461 H 0.00 0.38 -0.58 -0.55 8.43 7.69 1a49C1 GLY 1461 HA2 -0.00 0.12 0.81 -0.51 4.01 4.43 1a49C1 GLY 1461 HA3 -0.01 0.04 0.30 -0.51 4.01 3.84 1a49C1 LYS 1462 H 0.01 0.47 -0.26 -0.55 8.42 8.08 1a49C1 LYS 1462 HA 0.02 0.15 0.50 -0.75 4.32 4.23 1a49C1 LYS 1462 HB2 0.02 -0.06 0.10 -0.04 1.87 1.90 1a49C1 LYS 1462 HB3 0.02 -0.04 0.10 -0.04 1.79 1.83 1a49C1 LYS 1462 HG2 0.01 0.50 0.15 -0.04 1.46 2.09 1a49C1 LYS 1462 HG3 0.02 -0.05 -0.12 -0.04 1.46 1.27 1a49C1 LYS 1462 HD2 0.02 -0.05 0.01 -0.04 1.69 1.62 1a49C1 LYS 1462 HD3 0.01 -0.03 0.03 -0.04 1.68 1.65 1a49C1 LYS 1462 HE2 0.01 -0.06 -0.01 -0.04 2.99 2.90 1a49C1 LYS 1462 HE3 0.02 0.01 -0.05 -0.04 2.99 2.93 1a49C1 ASN 1463 H 0.01 -0.01 -0.51 -0.55 8.53 7.48 1a49C1 ASN 1463 HA 0.03 0.23 0.87 -0.75 4.76 5.14 1a49C1 ASN 1463 HB2 0.02 0.02 0.00 -0.04 2.88 2.88 1a49C1 ASN 1463 HB3 0.04 -0.01 0.06 -0.04 2.79 2.84 1a49C1 ASN 1463 HD21 0.02 -0.04 -0.04 -0.04 7.03 6.93 1a49C1 ASN 1463 HD22 0.02 0.02 -0.01 -0.04 7.74 7.73 1a49C1 ILE 1464 H 0.01 0.21 -0.26 -0.55 8.25 7.66 1a49C1 ILE 1464 HA 0.01 0.18 0.59 -0.75 4.18 4.20 1a49C1 ILE 1464 HB -0.01 0.02 -0.01 -0.04 1.89 1.85 1a49C1 ILE 1464 HG12 -0.01 0.01 -0.04 -0.04 1.49 1.41 1a49C1 ILE 1464 HG13 -0.01 -0.10 0.12 -0.04 1.21 1.18 1a49C1 ILE 1464 HG23 -0.03 0.01 -0.40 -0.04 0.93 0.46 1a49C1 ILE 1464 HD13 -0.04 0.04 -0.06 -0.04 0.88 0.77 1a49C1 LYS 1465 H 0.03 0.47 0.33 -0.55 8.42 8.70 1a49C1 LYS 1465 HA 0.04 0.10 0.47 -0.75 4.32 4.17 1a49C1 LYS 1465 HB2 0.05 -0.12 0.12 -0.04 1.87 1.88 1a49C1 LYS 1465 HB3 0.04 0.02 -0.08 -0.04 1.79 1.73 1a49C1 LYS 1465 HG2 0.06 0.13 0.18 -0.04 1.46 1.78 1a49C1 LYS 1465 HG3 0.08 -0.01 0.03 -0.04 1.46 1.53 1a49C1 LYS 1465 HD2 0.06 -0.03 -0.02 -0.04 1.69 1.65 1a49C1 LYS 1465 HD3 0.07 0.13 -0.07 -0.04 1.68 1.77 1a49C1 LYS 1465 HE2 0.16 -0.03 -0.01 -0.04 2.99 3.07 1a49C1 LYS 1465 HE3 0.16 0.03 -0.02 -0.04 2.99 3.11 1a49C1 ILE 1466 H 0.02 0.23 0.20 -0.55 8.25 8.14 1a49C1 ILE 1466 HA 0.03 0.15 1.02 -0.75 4.18 4.63 1a49C1 ILE 1466 HB 0.00 -0.00 0.23 -0.04 1.89 2.08 1a49C1 ILE 1466 HG12 0.01 -0.03 -0.18 -0.04 1.49 1.24 1a49C1 ILE 1466 HG13 0.01 0.24 -0.11 -0.04 1.21 1.31 1a49C1 ILE 1466 HG23 0.00 -0.04 -0.27 -0.04 0.93 0.58 1a49C1 ILE 1466 HD13 0.00 -0.01 -0.10 -0.04 0.88 0.73 1a49C1 ILE 1467 H 0.10 0.87 0.31 -0.55 8.25 8.98 1a49C1 ILE 1467 HA 0.00 0.30 0.71 -0.75 4.18 4.43 1a49C1 ILE 1467 HB 0.25 -0.04 0.02 -0.04 1.89 2.08 1a49C1 ILE 1467 HG12 0.15 -0.00 -0.32 -0.04 1.49 1.27 1a49C1 ILE 1467 HG13 0.15 -0.03 -0.29 -0.04 1.21 1.00 1a49C1 ILE 1467 HG23 -0.14 -0.03 -0.54 -0.04 0.93 0.17 1a49C1 ILE 1467 HD13 -0.03 0.04 -0.42 -0.04 0.88 0.44 1a49C1 SER 1468 H -0.01 0.79 0.33 -0.55 8.46 9.02 1a49C1 SER 1468 HA 0.01 0.06 0.82 -0.75 4.49 4.63 1a49C1 SER 1468 HB2 -0.02 0.11 0.06 -0.04 3.95 4.05 1a49C1 SER 1468 HB3 -0.01 -0.07 -0.11 -0.04 3.93 3.70 1a49C1 LYS 1469 H -0.01 0.55 0.21 -0.55 8.42 8.62 1a49C1 LYS 1469 HA -0.07 0.27 0.84 -0.75 4.32 4.60 1a49C1 LYS 1469 HB2 -0.13 -0.19 -0.04 -0.04 1.87 1.48 1a49C1 LYS 1469 HB3 -0.11 -0.04 -0.12 -0.04 1.79 1.48 1a49C1 LYS 1469 HG2 -0.05 0.03 -0.31 -0.04 1.46 1.08 1a49C1 LYS 1469 HG3 0.01 0.30 -0.29 -0.04 1.46 1.44 1a49C1 LYS 1469 HD2 0.14 0.04 -0.43 -0.04 1.69 1.40 1a49C1 LYS 1469 HD3 0.04 -0.08 -0.58 -0.04 1.68 1.02 1a49C1 LYS 1469 HE2 -0.09 -0.08 -0.15 -0.04 2.99 2.64 1a49C1 LYS 1469 HE3 -0.04 0.01 -0.20 -0.04 2.99 2.72 1a49C1 ILE 1470 H -0.07 0.66 0.29 -0.55 8.25 8.57 1a49C1 ILE 1470 HA -0.05 0.11 0.76 -0.75 4.18 4.26 1a49C1 ILE 1470 HB -0.08 -0.02 0.23 -0.04 1.89 1.97 1a49C1 ILE 1470 HG12 0.04 0.11 0.02 -0.04 1.49 1.61 1a49C1 ILE 1470 HG13 0.11 0.06 -0.06 -0.04 1.21 1.27 1a49C1 ILE 1470 HG23 -0.05 -0.02 -0.26 -0.04 0.93 0.56 1a49C1 ILE 1470 HD13 0.14 0.05 -0.25 -0.04 0.88 0.78 1a49C1 GLU 1471 H -0.17 0.22 0.09 -0.55 8.60 8.20 1a49C1 GLU 1471 HA -0.16 0.24 0.90 -0.75 4.29 4.52 1a49C1 GLU 1471 HB2 -0.51 -0.05 0.15 -0.04 2.09 1.65 1a49C1 GLU 1471 HB3 -0.31 0.08 0.02 -0.04 1.99 1.73 1a49C1 GLU 1471 HG2 -0.48 0.05 -0.23 -0.04 2.34 1.64 1a49C1 GLU 1471 HG3 -1.60 0.07 0.01 -0.04 2.34 0.78 1a49C1 ASN 1472 H -0.04 0.25 0.03 -0.55 8.53 8.23 1a49C1 ASN 1472 HA 0.06 0.20 0.48 -0.75 4.76 4.74 1a49C1 ASN 1472 HB2 0.12 -0.08 0.16 -0.04 2.88 3.04 1a49C1 ASN 1472 HB3 0.21 0.21 0.01 -0.04 2.79 3.17 1a49C1 ASN 1472 HD21 0.19 0.08 -0.17 -0.04 7.03 7.09 1a49C1 ASN 1472 HD22 0.42 0.12 -0.13 -0.04 7.74 8.11 1a49C1 HIS 1473 H 0.15 0.25 0.12 -0.55 8.41 8.38 1a49C1 HIS 1473 HA -0.01 0.12 0.27 -0.75 4.63 4.25 1a49C1 HIS 1473 HB2 -0.00 0.10 0.08 -0.04 3.26 3.41 1a49C1 HIS 1473 HB3 0.01 0.01 0.11 -0.04 3.20 3.29 1a49C1 HIS 1473 HD2 0.00 -0.01 -0.13 -0.04 6.97 6.79 1a49C1 HIS 1473 HE1 -0.02 0.03 0.01 -0.04 7.75 7.72 1a49C1 GLU 1474 H 0.09 0.07 -0.13 -0.55 8.60 8.09 1a49C1 GLU 1474 HA 0.05 0.13 0.43 -0.75 4.29 4.15 1a49C1 GLU 1474 HB2 0.07 0.01 0.10 -0.04 2.09 2.23 1a49C1 GLU 1474 HB3 0.06 -0.06 0.09 -0.04 1.99 2.04 1a49C1 GLU 1474 HG2 0.03 0.22 -0.07 -0.04 2.34 2.48 1a49C1 GLU 1474 HG3 0.04 -0.00 0.04 -0.04 2.34 2.38 1a49C1 GLY 1475 H 0.04 0.01 -0.11 -0.55 8.43 7.82 1a49C1 GLY 1475 HA2 0.03 0.08 0.28 -0.51 4.01 3.89 1a49C1 GLY 1475 HA3 0.02 0.01 0.29 -0.51 4.01 3.82 1a49C1 VAL 1476 H -0.06 0.27 -0.45 -0.55 8.24 7.46 1a49C1 VAL 1476 HA -0.05 0.07 0.41 -0.75 4.13 3.81 1a49C1 VAL 1476 HB -0.26 0.11 0.12 -0.04 2.12 2.06 1a49C1 VAL 1476 HG13 -0.18 0.00 -0.13 -0.04 0.97 0.63 1a49C1 VAL 1476 HG23 -0.13 0.03 -0.08 -0.04 0.95 0.73 1a49C1 ARG 1477 H -0.14 0.51 0.03 -0.55 8.46 8.30 1a49C1 ARG 1477 HA -0.06 0.01 0.36 -0.75 4.34 3.89 1a49C1 ARG 1477 HB2 -0.09 -0.03 0.14 -0.04 1.90 1.89 1a49C1 ARG 1477 HB3 -0.02 0.01 0.24 -0.04 1.80 1.99 1a49C1 ARG 1477 HG2 0.01 0.01 -0.30 -0.04 1.67 1.35 1a49C1 ARG 1477 HG3 0.01 -0.02 0.03 -0.04 1.67 1.65 1a49C1 ARG 1477 HD2 0.04 -0.00 -0.01 -0.04 3.22 3.21 1a49C1 ARG 1477 HD3 0.09 -0.02 -0.01 -0.04 3.22 3.25 1a49C1 ARG 1478 H 0.01 0.89 -0.20 -0.55 8.46 8.62 1a49C1 ARG 1478 HA 0.01 0.13 0.86 -0.75 4.34 4.58 1a49C1 ARG 1478 HB2 0.01 0.23 0.06 -0.04 1.90 2.16 1a49C1 ARG 1478 HB3 -0.01 -0.24 0.20 -0.04 1.80 1.71 1a49C1 ARG 1478 HG2 0.01 -0.03 0.03 -0.04 1.67 1.64 1a49C1 ARG 1478 HG3 0.01 -0.00 -0.08 -0.04 1.67 1.56 1a49C1 ARG 1478 HD2 0.02 -0.03 0.00 -0.04 3.22 3.17 1a49C1 ARG 1478 HD3 0.01 0.26 0.12 -0.04 3.22 3.58 1a49C1 PHE 1479 H 0.13 0.58 -0.53 -0.55 8.34 7.97 1a49C1 PHE 1479 HA -0.05 0.03 0.21 -0.75 4.62 4.05 1a49C1 PHE 1479 HB2 -0.07 0.11 0.24 -0.04 3.15 3.40 1a49C1 PHE 1479 HB3 -0.06 -0.02 0.13 -0.04 3.06 3.06 1a49C1 PHE 1479 HD2 -0.06 -0.01 -0.08 -0.04 7.28 7.09 1a49C1 PHE 1479 HE2 -0.06 0.01 -0.09 -0.04 7.38 7.20 1a49C1 PHE 1479 HZ -0.06 0.10 -0.07 -0.04 7.32 7.25 1a49C1 ASP 1480 H -0.00 0.17 -0.15 -0.55 8.40 7.86 1a49C1 ASP 1480 HA -0.34 0.13 0.40 -0.75 4.63 4.07 1a49C1 ASP 1480 HB2 -0.04 -0.03 0.10 -0.04 2.71 2.70 1a49C1 ASP 1480 HB3 -0.08 0.05 -0.00 -0.04 2.70 2.63 1a49C1 GLU 1481 H -0.10 0.15 -0.05 -0.55 8.60 8.06 1a49C1 GLU 1481 HA -0.08 0.11 0.38 -0.75 4.29 3.93 1a49C1 GLU 1481 HB2 -0.03 -0.04 0.07 -0.04 2.09 2.05 1a49C1 GLU 1481 HB3 -0.04 0.05 0.11 -0.04 1.99 2.07 1a49C1 GLU 1481 HG2 -0.05 0.12 0.10 -0.04 2.34 2.47 1a49C1 GLU 1481 HG3 -0.07 0.01 -0.08 -0.04 2.34 2.16 1a49C1 ILE 1482 H -0.19 0.41 -0.43 -0.55 8.25 7.49 1a49C1 ILE 1482 HA -0.14 -0.14 0.39 -0.75 4.18 3.54 1a49C1 ILE 1482 HB -0.27 0.35 0.09 -0.04 1.89 2.03 1a49C1 ILE 1482 HG12 -0.06 -0.29 -0.33 -0.04 1.49 0.78 1a49C1 ILE 1482 HG13 -0.07 0.17 -0.16 -0.04 1.21 1.11 1a49C1 ILE 1482 HG23 -0.08 -0.01 -0.30 -0.04 0.93 0.50 1a49C1 ILE 1482 HD13 0.03 0.06 -0.41 -0.04 0.88 0.51 1a49C1 LEU 1483 H -0.58 0.80 0.06 -0.55 8.37 8.11 1a49C1 LEU 1483 HA -0.28 -0.02 0.27 -0.75 4.35 3.57 1a49C1 LEU 1483 HB2 -1.35 0.08 0.12 -0.04 1.64 0.45 1a49C1 LEU 1483 HB3 -0.42 0.08 0.11 -0.04 1.64 1.37 1a49C1 LEU 1483 HG -0.23 -0.07 -0.08 -0.04 1.64 1.21 1a49C1 LEU 1483 HD13 -0.05 -0.01 -0.18 -0.04 0.93 0.65 1a49C1 LEU 1483 HD23 -0.09 0.01 -0.12 -0.04 0.89 0.65 1a49C1 GLU 1484 H -0.21 0.62 -0.11 -0.55 8.60 8.35 1a49C1 GLU 1484 HA -0.08 0.11 0.28 -0.75 4.29 3.84 1a49C1 GLU 1484 HB2 -0.06 0.00 0.06 -0.04 2.09 2.05 1a49C1 GLU 1484 HB3 -0.09 -0.06 0.06 -0.04 1.99 1.86 1a49C1 GLU 1484 HG2 -0.02 -0.11 -0.02 -0.04 2.34 2.15 1a49C1 GLU 1484 HG3 -0.03 0.04 -0.11 -0.04 2.34 2.19 1a49C1 ALA 1485 H -0.12 0.29 -0.39 -0.55 8.40 7.63 1a49C1 ALA 1485 HA -0.03 0.05 0.44 -0.75 4.34 4.04 1a49C1 ALA 1485 HB3 -0.23 -0.08 0.11 -0.04 1.41 1.16 1a49C1 SER 1486 H -0.11 0.45 -0.10 -0.55 8.46 8.15 1a49C1 SER 1486 HA -0.05 0.11 1.04 -0.75 4.49 4.83 1a49C1 SER 1486 HB2 -0.05 -0.03 0.17 -0.04 3.95 4.00 1a49C1 SER 1486 HB3 -0.05 -0.17 0.07 -0.04 3.93 3.74 1a49C1 ASP 1487 H -0.02 0.32 0.34 -0.55 8.40 8.50 1a49C1 ASP 1487 HA -0.00 0.14 0.59 -0.75 4.63 4.60 1a49C1 ASP 1487 HB2 0.01 0.10 0.12 -0.04 2.71 2.89 1a49C1 ASP 1487 HB3 0.01 -0.00 0.04 -0.04 2.70 2.71 1a49C1 GLY 1488 H -0.03 0.13 0.03 -0.55 8.43 8.01 1a49C1 GLY 1488 HA2 -0.06 0.17 0.33 -0.51 4.01 3.94 1a49C1 GLY 1488 HA3 -0.08 0.07 0.33 -0.51 4.01 3.82 1a49C1 ILE 1489 H -0.06 0.70 0.29 -0.55 8.25 8.63 1a49C1 ILE 1489 HA -0.02 0.20 0.99 -0.75 4.18 4.60 1a49C1 ILE 1489 HB 0.06 0.09 0.00 -0.04 1.89 2.00 1a49C1 ILE 1489 HG12 0.01 0.01 -0.77 -0.04 1.49 0.70 1a49C1 ILE 1489 HG13 0.12 0.07 -0.20 -0.04 1.21 1.16 1a49C1 ILE 1489 HG23 0.10 -0.03 -0.26 -0.04 0.93 0.70 1a49C1 ILE 1489 HD13 0.26 -0.00 -0.12 -0.04 0.88 0.98 1a49C1 MET 1490 H -0.07 0.55 0.11 -0.55 8.47 8.51 1a49C1 MET 1490 HA -0.14 0.26 1.07 -0.75 4.52 4.96 1a49C1 MET 1490 HB2 -0.32 0.08 -0.23 -0.04 2.15 1.64 1a49C1 MET 1490 HB3 -0.20 -0.08 -0.20 -0.04 2.03 1.51 1a49C1 MET 1490 HG2 -0.14 -0.14 -0.80 -0.04 2.63 1.50 1a49C1 MET 1490 HG3 -0.18 0.10 -0.34 -0.04 2.56 2.09 1a49C1 MET 1490 HE3 -0.71 0.03 -0.26 -0.04 2.10 1.12 1a49C1 VAL 1491 H -0.11 0.87 0.21 -0.55 8.24 8.67 1a49C1 VAL 1491 HA -0.11 0.13 0.83 -0.75 4.13 4.22 1a49C1 VAL 1491 HB -0.09 -0.14 0.36 -0.04 2.12 2.22 1a49C1 VAL 1491 HG13 -0.10 -0.01 -0.05 -0.04 0.97 0.76 1a49C1 VAL 1491 HG23 -0.11 0.11 -0.01 -0.04 0.95 0.90 1a49C1 ALA 1492 H -0.12 0.37 -0.10 -0.55 8.40 8.01 1a49C1 ALA 1492 HA -0.09 0.12 0.58 -0.75 4.34 4.20 1a49C1 ALA 1492 HB3 -0.15 0.00 -0.06 -0.04 1.41 1.17 1a49C1 ARG 1493 H -0.06 0.61 0.01 -0.55 8.46 8.47 1a49C1 ARG 1493 HA -0.06 0.03 0.24 -0.75 4.34 3.80 1a49C1 ARG 1493 HB2 -0.02 0.17 0.06 -0.04 1.90 2.06 1a49C1 ARG 1493 HB3 -0.02 -0.02 0.07 -0.04 1.80 1.79 1a49C1 ARG 1493 HG2 -0.03 -0.02 -0.04 -0.04 1.67 1.54 1a49C1 ARG 1493 HG3 -0.06 -0.15 -0.16 -0.04 1.67 1.26 1a49C1 ARG 1493 HD2 -0.05 -0.10 0.12 -0.04 3.22 3.15 1a49C1 ARG 1493 HD3 -0.03 0.60 0.25 -0.04 3.22 3.99 1a49C1 GLY 1494 H -0.03 0.02 -0.42 -0.55 8.43 7.46 1a49C1 GLY 1494 HA2 0.00 0.16 0.36 -0.51 4.01 4.03 1a49C1 GLY 1494 HA3 0.01 -0.05 0.24 -0.51 4.01 3.69 1a49C1 ASP 1495 H -0.03 0.06 -0.07 -0.55 8.40 7.81 1a49C1 ASP 1495 HA 0.05 0.05 0.43 -0.75 4.63 4.41 1a49C1 ASP 1495 HB2 -0.20 -0.03 0.14 -0.04 2.71 2.59 1a49C1 ASP 1495 HB3 0.02 0.17 0.04 -0.04 2.70 2.89 1a49C1 LEU 1496 H -0.09 0.44 -0.02 -0.55 8.37 8.15 1a49C1 LEU 1496 HA -0.04 -0.00 0.08 -0.75 4.35 3.63 1a49C1 LEU 1496 HB2 -0.09 0.15 0.09 -0.04 1.64 1.74 1a49C1 LEU 1496 HB3 -0.06 0.01 -0.04 -0.04 1.64 1.50 1a49C1 LEU 1496 HG -0.05 0.00 -0.26 -0.04 1.64 1.29 1a49C1 LEU 1496 HD13 -0.07 -0.00 -0.31 -0.04 0.93 0.51 1a49C1 LEU 1496 HD23 -0.09 0.03 -0.12 -0.04 0.89 0.67 1a49C1 GLY 1497 H -0.03 0.42 -0.54 -0.55 8.43 7.74 1a49C1 GLY 1497 HA2 -0.02 -0.02 0.19 -0.51 4.01 3.65 1a49C1 GLY 1497 HA3 -0.02 0.11 0.27 -0.51 4.01 3.86 1a49C1 ILE 1498 H -0.03 0.36 -0.48 -0.55 8.25 7.55 1a49C1 ILE 1498 HA -0.14 0.22 0.94 -0.75 4.18 4.45 1a49C1 ILE 1498 HB -0.08 0.12 -0.23 -0.04 1.89 1.65 1a49C1 ILE 1498 HG12 -0.28 0.10 -0.01 -0.04 1.49 1.26 1a49C1 ILE 1498 HG13 -0.23 -0.15 -0.27 -0.04 1.21 0.52 1a49C1 ILE 1498 HG23 -0.02 -0.05 -0.12 -0.04 0.93 0.69 1a49C1 ILE 1498 HD13 -1.17 -0.01 -0.03 -0.04 0.88 -0.37 1a49C1 GLU 1499 H -0.01 0.43 0.03 -0.55 8.60 8.49 1a49C1 GLU 1499 HA 0.01 -0.03 0.48 -0.75 4.29 4.00 1a49C1 GLU 1499 HB2 0.03 0.09 0.11 -0.04 2.09 2.28 1a49C1 GLU 1499 HB3 0.07 -0.29 0.16 -0.04 1.99 1.89 1a49C1 GLU 1499 HG2 0.11 0.01 0.02 -0.04 2.34 2.44 1a49C1 GLU 1499 HG3 0.21 0.15 0.15 -0.04 2.34 2.81 1a49C1 ILE 1500 H -0.01 0.79 -0.00 -0.55 8.25 8.48 1a49C1 ILE 1500 HA 0.03 0.17 0.87 -0.75 4.18 4.50 1a49C1 ILE 1500 HB 0.08 -0.01 0.03 -0.04 1.89 1.95 1a49C1 ILE 1500 HG12 -0.01 0.10 -0.22 -0.04 1.49 1.31 1a49C1 ILE 1500 HG13 -0.00 0.24 -0.61 -0.04 1.21 0.79 1a49C1 ILE 1500 HG23 0.08 -0.02 -0.23 -0.04 0.93 0.72 1a49C1 ILE 1500 HD13 -0.04 -0.04 -0.25 -0.04 0.88 0.51 1a49C1 PRO 1501 HA -0.01 0.10 0.32 -0.51 4.44 4.34 1a49C1 PRO 1501 HB2 0.02 -0.10 -0.03 -0.04 2.28 2.13 1a49C1 PRO 1501 HB3 0.01 0.07 0.10 -0.04 2.02 2.15 1a49C1 PRO 1501 HG2 0.02 0.02 0.05 -0.04 2.03 2.08 1a49C1 PRO 1501 HG3 0.01 0.09 0.07 -0.04 2.03 2.15 1a49C1 PRO 1501 HD2 0.04 0.06 0.14 -0.04 3.68 3.88 1a49C1 PRO 1501 HD3 0.01 0.20 0.18 -0.04 3.65 4.00 1a49C1 ALA 1502 H -0.01 0.17 0.21 -0.55 8.40 8.23 1a49C1 ALA 1502 HA 0.00 0.19 0.46 -0.75 4.34 4.24 1a49C1 ALA 1502 HB3 0.00 0.02 0.14 -0.04 1.41 1.54 1a49C1 GLU 1503 H 0.03 0.07 -0.19 -0.55 8.60 7.96 1a49C1 GLU 1503 HA 0.09 0.10 0.34 -0.75 4.29 4.06 1a49C1 GLU 1503 HB2 0.09 0.03 0.12 -0.04 2.09 2.29 1a49C1 GLU 1503 HB3 0.04 0.01 0.08 -0.04 1.99 2.08 1a49C1 GLU 1503 HG2 0.05 0.04 -0.29 -0.04 2.34 2.10 1a49C1 GLU 1503 HG3 0.05 0.04 -0.05 -0.04 2.34 2.33 1a49C1 LYS 1504 H 0.04 0.62 -0.66 -0.55 8.42 7.86 1a49C1 LYS 1504 HA -0.03 0.19 0.91 -0.75 4.32 4.63 1a49C1 LYS 1504 HB2 -0.01 0.17 -0.05 -0.04 1.87 1.94 1a49C1 LYS 1504 HB3 -0.08 -0.07 0.06 -0.04 1.79 1.67 1a49C1 LYS 1504 HG2 -0.00 0.05 -0.12 -0.04 1.46 1.34 1a49C1 LYS 1504 HG3 0.02 -0.08 -0.19 -0.04 1.46 1.17 1a49C1 LYS 1504 HD2 0.02 0.01 -0.02 -0.04 1.69 1.66 1a49C1 LYS 1504 HD3 -0.01 -0.00 -0.02 -0.04 1.68 1.61 1a49C1 LYS 1504 HE2 0.02 -0.02 -0.04 -0.04 2.99 2.90 1a49C1 LYS 1504 HE3 0.02 0.01 -0.01 -0.04 2.99 2.97 1a49C1 VAL 1505 H 0.06 0.47 -0.09 -0.55 8.24 8.13 1a49C1 VAL 1505 HA -0.07 0.02 0.33 -0.75 4.13 3.65 1a49C1 VAL 1505 HB 0.05 0.07 0.07 -0.04 2.12 2.27 1a49C1 VAL 1505 HG13 -0.02 -0.01 -0.10 -0.04 0.97 0.80 1a49C1 VAL 1505 HG23 -0.01 0.04 -0.03 -0.04 0.95 0.91 1a49C1 PHE 1506 H 0.32 0.19 -0.22 -0.55 8.34 8.07 1a49C1 PHE 1506 HA -0.05 0.08 0.45 -0.75 4.62 4.36 1a49C1 PHE 1506 HB2 -0.03 0.07 0.02 -0.04 3.15 3.17 1a49C1 PHE 1506 HB3 -0.03 0.01 0.04 -0.04 3.06 3.05 1a49C1 PHE 1506 HD2 -0.03 -0.01 -0.13 -0.04 7.28 7.07 1a49C1 PHE 1506 HE2 -0.02 0.15 0.02 -0.04 7.38 7.49 1a49C1 PHE 1506 HZ -0.02 0.01 -0.00 -0.04 7.32 7.27 1a49C1 LEU 1507 H -1.22 0.14 -0.32 -0.55 8.37 6.43 1a49C1 LEU 1507 HA -0.53 0.07 0.40 -0.75 4.35 3.53 1a49C1 LEU 1507 HB2 -0.36 0.14 0.14 -0.04 1.64 1.52 1a49C1 LEU 1507 HB3 -0.31 -0.01 0.01 -0.04 1.64 1.29 1a49C1 LEU 1507 HG -1.11 -0.05 0.08 -0.04 1.64 0.52 1a49C1 LEU 1507 HD13 -0.18 -0.00 0.04 -0.04 0.93 0.75 1a49C1 LEU 1507 HD23 -0.45 0.00 0.00 -0.04 0.89 0.41 1a49C1 ALA 1508 H -0.24 0.38 -0.10 -0.55 8.40 7.89 1a49C1 ALA 1508 HA -0.21 0.01 0.35 -0.75 4.34 3.74 1a49C1 ALA 1508 HB3 -0.16 0.01 0.04 -0.04 1.41 1.26 1a49C1 GLN 1509 H -0.13 0.69 -0.10 -0.55 8.47 8.38 1a49C1 GLN 1509 HA -0.14 -0.04 0.31 -0.75 4.36 3.74 1a49C1 GLN 1509 HB2 -0.05 -0.05 0.07 -0.04 2.15 2.08 1a49C1 GLN 1509 HB3 -0.03 0.07 0.13 -0.04 2.02 2.15 1a49C1 GLN 1509 HG2 -0.05 0.07 -0.27 -0.04 2.40 2.12 1a49C1 GLN 1509 HG3 -0.06 -0.07 0.01 -0.04 2.39 2.23 1a49C1 GLN 1509 HE21 -0.00 0.01 -0.05 -0.04 6.97 6.89 1a49C1 GLN 1509 HE22 -0.02 0.07 -0.05 -0.04 7.69 7.66 1a49C1 LYS 1510 H -0.10 0.71 -0.07 -0.55 8.42 8.40 1a49C1 LYS 1510 HA -0.06 0.08 0.57 -0.75 4.32 4.15 1a49C1 LYS 1510 HB2 -0.08 0.01 0.15 -0.04 1.87 1.91 1a49C1 LYS 1510 HB3 -0.04 0.00 0.08 -0.04 1.79 1.79 1a49C1 LYS 1510 HG2 0.02 0.02 0.01 -0.04 1.46 1.47 1a49C1 LYS 1510 HG3 0.03 0.09 0.09 -0.04 1.46 1.64 1a49C1 LYS 1510 HD2 0.20 -0.06 -0.10 -0.04 1.69 1.68 1a49C1 LYS 1510 HD3 0.06 0.01 -0.02 -0.04 1.68 1.69 1a49C1 LYS 1510 HE2 0.19 -0.07 -0.05 -0.04 2.99 3.03 1a49C1 LYS 1510 HE3 0.16 -0.04 -0.05 -0.04 2.99 3.01 1a49C1 MET 1511 H -0.17 0.74 -0.05 -0.55 8.47 8.44 1a49C1 MET 1511 HA -0.11 0.01 0.35 -0.75 4.52 4.01 1a49C1 MET 1511 HB2 -0.15 -0.03 0.08 -0.04 2.15 2.01 1a49C1 MET 1511 HB3 -0.21 0.05 0.16 -0.04 2.03 1.98 1a49C1 MET 1511 HG2 -0.10 -0.01 0.02 -0.04 2.63 2.50 1a49C1 MET 1511 HG3 -0.11 -0.05 -0.02 -0.04 2.56 2.34 1a49C1 MET 1511 HE3 -0.19 -0.01 -0.03 -0.04 2.10 1.83 1a49C1 ILE 1512 H -0.27 0.81 -0.08 -0.55 8.25 8.15 1a49C1 ILE 1512 HA -0.66 0.00 0.38 -0.75 4.18 3.15 1a49C1 ILE 1512 HB -0.32 0.08 0.06 -0.04 1.89 1.67 1a49C1 ILE 1512 HG12 -1.47 -0.03 -0.03 -0.04 1.49 -0.09 1a49C1 ILE 1512 HG13 -0.53 0.04 0.04 -0.04 1.21 0.71 1a49C1 ILE 1512 HG23 -0.39 -0.02 -0.25 -0.04 0.93 0.23 1a49C1 ILE 1512 HD13 -0.31 -0.05 -0.12 -0.04 0.88 0.35 1a49C1 ILE 1513 H -0.14 0.71 -0.07 -0.55 8.25 8.20 1a49C1 ILE 1513 HA -0.07 -0.02 0.42 -0.75 4.18 3.77 1a49C1 ILE 1513 HB -0.07 0.08 0.10 -0.04 1.89 1.96 1a49C1 ILE 1513 HG12 -0.06 -0.02 -0.16 -0.04 1.49 1.21 1a49C1 ILE 1513 HG13 -0.09 -0.10 -0.06 -0.04 1.21 0.92 1a49C1 ILE 1513 HG23 -0.04 0.01 -0.51 -0.04 0.93 0.35 1a49C1 ILE 1513 HD13 -0.05 -0.03 -0.10 -0.04 0.88 0.67 1a49C1 GLY 1514 H -0.08 0.59 -0.15 -0.55 8.43 8.25 1a49C1 GLY 1514 HA2 -0.04 0.10 0.39 -0.51 4.01 3.95 1a49C1 GLY 1514 HA3 -0.05 0.02 0.32 -0.51 4.01 3.80 1a49C1 ARG 1515 H -0.04 0.54 -0.15 -0.55 8.46 8.26 1a49C1 ARG 1515 HA 0.04 -0.00 0.38 -0.75 4.34 4.01 1a49C1 ARG 1515 HB2 0.22 0.05 0.14 -0.04 1.90 2.28 1a49C1 ARG 1515 HB3 0.26 -0.08 0.04 -0.04 1.80 1.98 1a49C1 ARG 1515 HG2 0.02 -0.07 0.04 -0.04 1.67 1.62 1a49C1 ARG 1515 HG3 -0.03 0.38 0.11 -0.04 1.67 2.09 1a49C1 ARG 1515 HD2 0.25 -0.07 -0.03 -0.04 3.22 3.33 1a49C1 ARG 1515 HD3 0.08 -0.02 0.01 -0.04 3.22 3.25 1a49C1 CYS 1516 H 0.06 0.47 -0.18 -0.55 8.50 8.31 1a49C1 CYS 1516 HA 0.05 -0.06 0.32 -0.75 4.58 4.13 1a49C1 CYS 1516 HB2 0.00 0.10 0.05 -0.04 2.97 3.07 1a49C1 CYS 1516 HB3 -0.00 0.42 -0.09 -0.04 2.97 3.25 1a49C1 ASN 1517 H -0.01 0.51 -0.24 -0.55 8.53 8.24 1a49C1 ASN 1517 HA -0.03 0.07 0.50 -0.75 4.76 4.55 1a49C1 ASN 1517 HB2 -0.02 0.08 0.25 -0.04 2.88 3.14 1a49C1 ASN 1517 HB3 -0.03 -0.02 0.02 -0.04 2.79 2.72 1a49C1 ASN 1517 HD21 -0.02 0.29 0.07 -0.04 7.03 7.33 1a49C1 ASN 1517 HD22 -0.03 -0.13 -0.05 -0.04 7.74 7.50 1a49C1 ARG 1518 H -0.01 0.54 -0.09 -0.55 8.46 8.34 1a49C1 ARG 1518 HA -0.03 0.01 0.35 -0.75 4.34 3.92 1a49C1 ARG 1518 HB2 -0.00 0.22 0.22 -0.04 1.90 2.30 1a49C1 ARG 1518 HB3 0.01 0.10 0.21 -0.04 1.80 2.08 1a49C1 ARG 1518 HG2 0.01 0.01 0.03 -0.04 1.67 1.67 1a49C1 ARG 1518 HG3 -0.01 -0.05 0.03 -0.04 1.67 1.60 1a49C1 ARG 1518 HD2 0.01 0.03 0.03 -0.04 3.22 3.24 1a49C1 ARG 1518 HD3 0.00 -0.02 -0.03 -0.04 3.22 3.13 1a49C1 ALA 1519 H 0.00 0.59 -0.07 -0.55 8.40 8.37 1a49C1 ALA 1519 HA 0.01 -0.07 0.25 -0.75 4.34 3.77 1a49C1 ALA 1519 HB3 -0.00 -0.04 0.00 -0.04 1.41 1.33 1a49C1 GLY 1520 H -0.04 0.49 -0.61 -0.55 8.43 7.72 1a49C1 GLY 1520 HA2 -0.06 0.09 0.31 -0.51 4.01 3.84 1a49C1 GLY 1520 HA3 -0.03 -0.00 0.54 -0.51 4.01 4.00 1a49C1 LYS 1521 H -0.01 0.24 -0.10 -0.55 8.42 8.00 1a49C1 LYS 1521 HA -0.01 0.21 0.91 -0.75 4.32 4.67 1a49C1 LYS 1521 HB2 -0.02 -0.13 -0.06 -0.04 1.87 1.62 1a49C1 LYS 1521 HB3 -0.04 0.03 -0.11 -0.04 1.79 1.63 1a49C1 LYS 1521 HG2 0.01 0.03 -0.06 -0.04 1.46 1.39 1a49C1 LYS 1521 HG3 0.01 0.02 -0.32 -0.04 1.46 1.13 1a49C1 LYS 1521 HD2 -0.03 -0.12 -0.13 -0.04 1.69 1.37 1a49C1 LYS 1521 HD3 -0.04 0.02 -0.16 -0.04 1.68 1.47 1a49C1 LYS 1521 HE2 -0.00 -0.02 0.04 -0.04 2.99 2.96 1a49C1 LYS 1521 HE3 0.01 -0.11 -0.03 -0.04 2.99 2.81 1a49C1 PRO 1522 HA -0.16 0.08 0.48 -0.51 4.44 4.33 1a49C1 PRO 1522 HB2 -0.28 -0.11 -0.14 -0.04 2.28 1.70 1a49C1 PRO 1522 HB3 -0.49 0.23 -0.13 -0.04 2.02 1.59 1a49C1 PRO 1522 HG2 -0.42 -0.04 0.04 -0.04 2.03 1.56 1a49C1 PRO 1522 HG3 -1.43 0.02 -0.03 -0.04 2.03 0.54 1a49C1 PRO 1522 HD2 -0.15 0.32 0.33 -0.04 3.68 4.14 1a49C1 PRO 1522 HD3 -0.19 0.18 0.24 -0.04 3.65 3.85 1a49C1 VAL 1523 H -0.09 0.20 0.31 -0.55 8.24 8.11 1a49C1 VAL 1523 HA -0.08 0.21 1.02 -0.75 4.13 4.53 1a49C1 VAL 1523 HB -0.03 0.05 -0.04 -0.04 2.12 2.06 1a49C1 VAL 1523 HG13 -0.05 -0.01 0.08 -0.04 0.97 0.95 1a49C1 VAL 1523 HG23 -0.07 -0.05 -0.28 -0.04 0.95 0.51 1a49C1 ILE 1524 H -0.11 0.63 0.39 -0.55 8.25 8.61 1a49C1 ILE 1524 HA -0.09 0.28 0.92 -0.75 4.18 4.53 1a49C1 ILE 1524 HB -0.21 -0.21 -0.07 -0.04 1.89 1.36 1a49C1 ILE 1524 HG12 -0.13 0.15 -0.31 -0.04 1.49 1.15 1a49C1 ILE 1524 HG13 -0.16 0.04 -0.36 -0.04 1.21 0.69 1a49C1 ILE 1524 HG23 -0.15 -0.00 -0.45 -0.04 0.93 0.29 1a49C1 ILE 1524 HD13 -0.32 -0.03 -0.30 -0.04 0.88 0.19 1a49C1 CYS 1525 H -0.07 0.63 0.23 -0.55 8.50 8.74 1a49C1 CYS 1525 HA -0.07 0.09 1.01 -0.75 4.58 4.85 1a49C1 CYS 1525 HB2 -0.04 0.09 0.11 -0.04 2.97 3.09 1a49C1 CYS 1525 HB3 -0.04 0.02 0.22 -0.04 2.97 3.13 1a49C1 ALA 1526 H -0.07 0.51 0.30 -0.55 8.40 8.60 1a49C1 ALA 1526 HA -0.04 0.16 0.96 -0.75 4.34 4.66 1a49C1 ALA 1526 HB3 -0.08 -0.00 -0.15 -0.04 1.41 1.13 1a49C1 THR 1527 H -0.01 0.13 0.01 -0.55 8.28 7.85 1a49C1 THR 1527 HA 0.01 -0.19 0.44 -0.75 4.39 3.90 1a49C1 THR 1527 HB -0.02 0.09 -0.03 -0.04 4.32 4.32 1a49C1 THR 1527 HG23 0.01 -0.01 -0.16 -0.04 1.22 1.03 1a49C1 GLN 1528 H 0.02 0.01 0.13 -0.55 8.47 8.07 1a49C1 GLN 1528 HA 0.02 -0.08 0.32 -0.75 4.36 3.86 1a49C1 GLN 1528 HB2 0.01 0.30 -0.06 -0.04 2.15 2.36 1a49C1 GLN 1528 HB3 0.01 0.02 0.21 -0.04 2.02 2.22 1a49C1 GLN 1528 HG2 0.02 -0.03 0.05 -0.04 2.40 2.40 1a49C1 GLN 1528 HG3 0.02 -0.16 -0.08 -0.04 2.39 2.14 1a49C1 GLN 1528 HE21 0.02 0.19 -0.03 -0.04 6.97 7.11 1a49C1 GLN 1528 HE22 0.03 -0.13 -0.05 -0.04 7.69 7.49 1a49C1 MET 1529 H 0.01 -0.01 -0.35 -0.55 8.47 7.57 1a49C1 MET 1529 HA 0.00 0.18 0.40 -0.75 4.52 4.35 1a49C1 MET 1529 HB2 0.01 0.02 0.03 -0.04 2.15 2.17 1a49C1 MET 1529 HB3 0.00 0.10 -0.01 -0.04 2.03 2.08 1a49C1 MET 1529 HG2 -0.01 0.09 -0.30 -0.04 2.63 2.37 1a49C1 MET 1529 HG3 -0.00 -0.15 -0.06 -0.04 2.56 2.31 1a49C1 MET 1529 HE3 -0.01 0.01 -0.10 -0.04 2.10 1.96 1a49C1 LEU 1530 H 0.01 -0.02 -0.20 -0.55 8.37 7.61 1a49C1 LEU 1530 HA 0.01 0.21 0.73 -0.75 4.35 4.54 1a49C1 LEU 1530 HB2 0.02 -0.01 -0.05 -0.04 1.64 1.55 1a49C1 LEU 1530 HB3 0.02 -0.01 0.09 -0.04 1.64 1.70 1a49C1 LEU 1530 HG 0.01 -0.05 -0.04 -0.04 1.64 1.53 1a49C1 LEU 1530 HD13 0.01 0.03 -0.22 -0.04 0.93 0.71 1a49C1 LEU 1530 HD23 0.02 0.01 -0.04 -0.04 0.89 0.83 1a49C1 GLU 1531 H 0.02 0.37 -0.50 -0.55 8.60 7.94 1a49C1 GLU 1531 HA 0.03 -0.08 0.25 -0.75 4.29 3.73 1a49C1 GLU 1531 HB2 0.02 0.13 0.09 -0.04 2.09 2.28 1a49C1 GLU 1531 HB3 0.02 0.01 0.05 -0.04 1.99 2.03 1a49C1 GLU 1531 HG2 0.03 0.11 0.00 -0.04 2.34 2.44 1a49C1 GLU 1531 HG3 0.03 0.05 -0.09 -0.04 2.34 2.29 1a49C1 SER 1532 H 0.02 0.10 -0.14 -0.55 8.46 7.89 1a49C1 SER 1532 HA 0.02 0.07 0.34 -0.75 4.49 4.17 1a49C1 SER 1532 HB2 0.01 -0.09 0.01 -0.04 3.95 3.84 1a49C1 SER 1532 HB3 0.00 0.20 -0.08 -0.04 3.93 4.02 1a49C1 MET 1533 H 0.02 0.15 -0.31 -0.55 8.47 7.78 1a49C1 MET 1533 HA 0.05 0.29 0.23 -0.75 4.52 4.34 1a49C1 MET 1533 HB2 0.04 0.04 -0.02 -0.04 2.15 2.17 1a49C1 MET 1533 HB3 0.05 0.10 0.08 -0.04 2.03 2.22 1a49C1 MET 1533 HG2 -0.03 0.01 -0.54 -0.04 2.63 2.03 1a49C1 MET 1533 HG3 0.00 -0.20 -0.16 -0.04 2.56 2.16 1a49C1 MET 1533 HE3 -0.02 0.10 -0.32 -0.04 2.10 1.82 1a49C1 ILE 1534 H 0.05 0.51 -0.52 -0.55 8.25 7.75 1a49C1 ILE 1534 HA 0.06 0.05 0.81 -0.75 4.18 4.35 1a49C1 ILE 1534 HB 0.03 0.08 0.13 -0.04 1.89 2.09 1a49C1 ILE 1534 HG12 0.02 -0.04 -0.34 -0.04 1.49 1.08 1a49C1 ILE 1534 HG13 0.04 0.03 -0.14 -0.04 1.21 1.09 1a49C1 ILE 1534 HG23 0.00 -0.02 -0.06 -0.04 0.93 0.82 1a49C1 ILE 1534 HD13 0.03 -0.04 -0.02 -0.04 0.88 0.80 1a49C1 LYS 1535 H 0.08 0.53 0.42 -0.55 8.42 8.90 1a49C1 LYS 1535 HA 0.09 0.19 0.93 -0.75 4.32 4.78 1a49C1 LYS 1535 HB2 0.04 0.02 0.10 -0.04 1.87 1.99 1a49C1 LYS 1535 HB3 0.05 0.00 0.05 -0.04 1.79 1.85 1a49C1 LYS 1535 HG2 0.01 -0.10 -0.23 -0.04 1.46 1.09 1a49C1 LYS 1535 HG3 -0.01 -0.02 -0.04 -0.04 1.46 1.35 1a49C1 LYS 1535 HD2 -0.03 -0.02 0.00 -0.04 1.69 1.61 1a49C1 LYS 1535 HD3 -0.01 0.16 0.03 -0.04 1.68 1.81 1a49C1 LYS 1535 HE2 -0.05 -0.08 -0.11 -0.04 2.99 2.71 1a49C1 LYS 1535 HE3 -0.08 -0.03 -0.04 -0.04 2.99 2.80 1a49C1 LYS 1536 H 0.09 0.06 -0.10 -0.55 8.42 7.92 1a49C1 LYS 1536 HA 0.03 0.27 0.86 -0.75 4.32 4.73 1a49C1 LYS 1536 HB2 -0.00 -0.14 -0.13 -0.04 1.87 1.56 1a49C1 LYS 1536 HB3 -0.06 0.05 0.02 -0.04 1.79 1.76 1a49C1 LYS 1536 HG2 -0.01 0.03 0.01 -0.04 1.46 1.45 1a49C1 LYS 1536 HG3 0.03 0.07 -0.20 -0.04 1.46 1.32 1a49C1 LYS 1536 HD2 0.02 -0.06 -0.07 -0.04 1.69 1.54 1a49C1 LYS 1536 HD3 0.00 -0.01 -0.03 -0.04 1.68 1.60 1a49C1 LYS 1536 HE2 0.01 0.04 -0.03 -0.04 2.99 2.98 1a49C1 LYS 1536 HE3 0.02 0.00 -0.05 -0.04 2.99 2.92 1a49C1 PRO 1537 HA -0.82 0.18 0.63 -0.51 4.44 3.92 1a49C1 PRO 1537 HB2 -0.28 0.05 -0.09 -0.04 2.28 1.92 1a49C1 PRO 1537 HB3 -0.76 0.04 0.04 -0.04 2.02 1.30 1a49C1 PRO 1537 HG2 -0.18 0.03 0.04 -0.04 2.03 1.87 1a49C1 PRO 1537 HG3 -0.28 0.06 0.02 -0.04 2.03 1.79 1a49C1 PRO 1537 HD2 -0.15 0.07 0.21 -0.04 3.68 3.77 1a49C1 PRO 1537 HD3 -0.21 0.22 0.15 -0.04 3.65 3.77 1a49C1 ARG 1538 H -0.14 0.12 -0.04 -0.55 8.46 7.84 1a49C1 ARG 1538 HA -0.07 0.24 0.73 -0.75 4.34 4.49 1a49C1 ARG 1538 HB2 -0.07 -0.09 0.07 -0.04 1.90 1.77 1a49C1 ARG 1538 HB3 -0.04 0.08 -0.09 -0.04 1.80 1.71 1a49C1 ARG 1538 HG2 -0.04 0.03 -0.01 -0.04 1.67 1.62 1a49C1 ARG 1538 HG3 -0.06 0.08 -0.05 -0.04 1.67 1.60 1a49C1 ARG 1538 HD2 -0.04 -0.04 -0.02 -0.04 3.22 3.07 1a49C1 ARG 1538 HD3 -0.03 0.02 -0.03 -0.04 3.22 3.14 1a49C1 PRO 1539 HA -0.01 -0.06 0.38 -0.51 4.44 4.24 1a49C1 PRO 1539 HB2 -0.01 0.09 -0.08 -0.04 2.28 2.25 1a49C1 PRO 1539 HB3 -0.00 -0.06 0.02 -0.04 2.02 1.94 1a49C1 PRO 1539 HG2 -0.01 0.07 -0.04 -0.04 2.03 2.01 1a49C1 PRO 1539 HG3 -0.01 0.10 -0.03 -0.04 2.03 2.05 1a49C1 PRO 1539 HD2 -0.03 0.13 0.15 -0.04 3.68 3.89 1a49C1 PRO 1539 HD3 -0.03 0.24 0.07 -0.04 3.65 3.89 1a49C1 THR 1540 H -0.00 -0.03 0.14 -0.55 8.28 7.84 1a49C1 THR 1540 HA -0.01 0.26 0.58 -0.75 4.39 4.47 1a49C1 THR 1540 HB -0.00 0.01 0.19 -0.04 4.32 4.48 1a49C1 THR 1540 HG23 0.00 0.03 0.07 -0.04 1.22 1.28 1a49C1 ARG 1541 H -0.01 0.19 0.17 -0.55 8.46 8.26 1a49C1 ARG 1541 HA -0.01 0.19 0.47 -0.75 4.34 4.23 1a49C1 ARG 1541 HB2 -0.01 -0.07 0.17 -0.04 1.90 1.95 1a49C1 ARG 1541 HB3 -0.01 0.09 0.07 -0.04 1.80 1.91 1a49C1 ARG 1541 HG2 -0.01 -0.04 0.13 -0.04 1.67 1.71 1a49C1 ARG 1541 HG3 -0.01 0.06 0.06 -0.04 1.67 1.74 1a49C1 ARG 1541 HD2 -0.01 0.06 0.02 -0.04 3.22 3.25 1a49C1 ARG 1541 HD3 -0.01 -0.02 -0.06 -0.04 3.22 3.10 1a49C1 ALA 1542 H -0.01 0.09 -0.04 -0.55 8.40 7.89 1a49C1 ALA 1542 HA -0.01 0.12 0.29 -0.75 4.34 3.98 1a49C1 ALA 1542 HB3 -0.01 0.02 0.10 -0.04 1.41 1.48 1a49C1 GLU 1543 H -0.00 -0.02 -0.49 -0.55 8.60 7.53 1a49C1 GLU 1543 HA -0.00 0.12 0.42 -0.75 4.29 4.07 1a49C1 GLU 1543 HB2 -0.00 0.04 0.09 -0.04 2.09 2.18 1a49C1 GLU 1543 HB3 0.00 0.17 0.18 -0.04 1.99 2.30 1a49C1 GLU 1543 HG2 0.00 0.20 0.05 -0.04 2.34 2.55 1a49C1 GLU 1543 HG3 0.00 -0.13 0.06 -0.04 2.34 2.23 1a49C1 GLY 1544 H -0.01 0.42 -0.19 -0.55 8.43 8.11 1a49C1 GLY 1544 HA2 -0.00 0.08 0.61 -0.51 4.01 4.19 1a49C1 GLY 1544 HA3 -0.01 0.08 0.32 -0.51 4.01 3.89 1a49C1 SER 1545 H -0.01 0.52 -0.08 -0.55 8.46 8.34 1a49C1 SER 1545 HA -0.00 0.11 0.53 -0.75 4.49 4.37 1a49C1 SER 1545 HB2 -0.01 0.00 0.07 -0.04 3.95 3.97 1a49C1 SER 1545 HB3 -0.01 0.02 0.06 -0.04 3.93 3.95 1a49C1 ASP 1546 H -0.00 0.33 -0.29 -0.55 8.40 7.89 1a49C1 ASP 1546 HA -0.00 0.02 0.30 -0.75 4.63 4.20 1a49C1 ASP 1546 HB2 -0.00 0.06 0.11 -0.04 2.71 2.84 1a49C1 ASP 1546 HB3 -0.00 0.14 0.16 -0.04 2.70 2.96 1a49C1 VAL 1547 H -0.00 0.41 -0.12 -0.55 8.24 7.99 1a49C1 VAL 1547 HA -0.00 0.02 0.52 -0.75 4.13 3.92 1a49C1 VAL 1547 HB 0.00 0.10 0.09 -0.04 2.12 2.28 1a49C1 VAL 1547 HG13 0.00 0.01 -0.07 -0.04 0.97 0.87 1a49C1 VAL 1547 HG23 0.00 0.04 0.02 -0.04 0.95 0.97 1a49C1 ALA 1548 H 0.00 0.39 -0.26 -0.55 8.40 7.98 1a49C1 ALA 1548 HA 0.01 0.11 0.31 -0.75 4.34 4.01 1a49C1 ALA 1548 HB3 0.00 0.03 0.10 -0.04 1.41 1.50 1a49C1 ASN 1549 H 0.01 0.76 -0.03 -0.55 8.53 8.72 1a49C1 ASN 1549 HA 0.03 0.04 0.38 -0.75 4.76 4.45 1a49C1 ASN 1549 HB2 0.01 0.06 0.13 -0.04 2.88 3.03 1a49C1 ASN 1549 HB3 0.02 -0.07 0.01 -0.04 2.79 2.70 1a49C1 ASN 1549 HD21 0.03 -0.02 -0.02 -0.04 7.03 6.98 1a49C1 ASN 1549 HD22 0.04 0.01 0.01 -0.04 7.74 7.76 1a49C1 ALA 1550 H 0.00 0.48 -0.43 -0.55 8.40 7.91 1a49C1 ALA 1550 HA -0.00 -0.06 0.37 -0.75 4.34 3.90 1a49C1 ALA 1550 HB3 -0.01 0.04 0.12 -0.04 1.41 1.52 1a49C1 VAL 1551 H 0.01 0.50 -0.21 -0.55 8.24 7.98 1a49C1 VAL 1551 HA 0.01 0.09 0.46 -0.75 4.13 3.93 1a49C1 VAL 1551 HB 0.01 0.11 0.19 -0.04 2.12 2.39 1a49C1 VAL 1551 HG13 0.02 0.03 -0.14 -0.04 0.97 0.84 1a49C1 VAL 1551 HG23 0.00 0.02 0.02 -0.04 0.95 0.95 1a49C1 LEU 1552 H 0.03 0.47 -0.09 -0.55 8.37 8.23 1a49C1 LEU 1552 HA 0.04 0.10 0.29 -0.75 4.35 4.03 1a49C1 LEU 1552 HB2 0.05 -0.01 0.02 -0.04 1.64 1.66 1a49C1 LEU 1552 HB3 0.10 -0.07 -0.07 -0.04 1.64 1.55 1a49C1 LEU 1552 HG 0.04 0.11 -0.04 -0.04 1.64 1.71 1a49C1 LEU 1552 HD13 0.07 -0.05 -0.11 -0.04 0.93 0.80 1a49C1 LEU 1552 HD23 0.09 0.01 -0.19 -0.04 0.89 0.76 1a49C1 ASP 1553 H 0.02 0.34 -0.39 -0.55 8.40 7.82 1a49C1 ASP 1553 HA 0.00 -0.04 0.57 -0.75 4.63 4.41 1a49C1 ASP 1553 HB2 -0.01 0.19 0.17 -0.04 2.71 3.02 1a49C1 ASP 1553 HB3 -0.02 -0.10 -0.08 -0.04 2.70 2.46 1a49C1 GLY 1554 H -0.00 0.29 -0.18 -0.55 8.43 7.98 1a49C1 GLY 1554 HA2 0.00 0.13 0.14 -0.51 4.01 3.77 1a49C1 GLY 1554 HA3 -0.01 0.16 0.86 -0.51 4.01 4.51 1a49C1 ALA 1555 H -0.01 0.26 0.17 -0.55 8.40 8.27 1a49C1 ALA 1555 HA -0.04 -0.04 0.41 -0.75 4.34 3.92 1a49C1 ALA 1555 HB3 -0.03 -0.01 0.01 -0.04 1.41 1.35 1a49C1 ASP 1556 H -0.05 0.21 0.42 -0.55 8.40 8.43 1a49C1 ASP 1556 HA -0.01 0.09 0.51 -0.75 4.63 4.47 1a49C1 ASP 1556 HB2 -0.09 0.01 0.22 -0.04 2.71 2.80 1a49C1 ASP 1556 HB3 -0.07 0.13 0.21 -0.04 2.70 2.93 1a49C1 CYS 1557 H -0.05 0.25 0.20 -0.55 8.50 8.35 1a49C1 CYS 1557 HA -0.02 0.30 0.73 -0.75 4.58 4.84 1a49C1 CYS 1557 HB2 -0.07 -0.16 -0.08 -0.04 2.97 2.62 1a49C1 CYS 1557 HB3 -0.04 -0.06 -0.07 -0.04 2.97 2.77 1a49C1 ILE 1558 H -0.02 0.76 0.29 -0.55 8.25 8.74 1a49C1 ILE 1558 HA -0.03 0.14 0.89 -0.75 4.18 4.43 1a49C1 ILE 1558 HB -0.01 -0.13 0.11 -0.04 1.89 1.82 1a49C1 ILE 1558 HG12 -0.00 0.24 -0.04 -0.04 1.49 1.65 1a49C1 ILE 1558 HG13 0.00 -0.11 -0.11 -0.04 1.21 0.95 1a49C1 ILE 1558 HG23 -0.01 0.01 -0.07 -0.04 0.93 0.82 1a49C1 ILE 1558 HD13 0.00 0.01 -0.08 -0.04 0.88 0.77 1a49C1 MET 1559 H -0.02 0.24 0.27 -0.55 8.47 8.42 1a49C1 MET 1559 HA 0.00 0.41 1.32 -0.75 4.52 5.50 1a49C1 MET 1559 HB2 -0.05 0.11 -0.17 -0.04 2.15 1.99 1a49C1 MET 1559 HB3 -0.02 -0.32 -0.06 -0.04 2.03 1.59 1a49C1 MET 1559 HG2 0.03 -0.04 -0.17 -0.04 2.63 2.41 1a49C1 MET 1559 HG3 0.03 0.15 -0.07 -0.04 2.56 2.63 1a49C1 MET 1559 HE3 -0.01 -0.07 -0.17 -0.04 2.10 1.81 1a49C1 LEU 1560 H 0.03 0.81 0.39 -0.55 8.37 9.05 1a49C1 LEU 1560 HA 0.02 -0.05 0.86 -0.75 4.35 4.43 1a49C1 LEU 1560 HB2 0.03 0.13 0.10 -0.04 1.64 1.86 1a49C1 LEU 1560 HB3 0.03 -0.14 -0.07 -0.04 1.64 1.42 1a49C1 LEU 1560 HG 0.02 0.05 -0.44 -0.04 1.64 1.23 1a49C1 LEU 1560 HD13 0.03 0.07 -0.27 -0.04 0.93 0.71 1a49C1 LEU 1560 HD23 0.02 -0.02 -0.09 -0.04 0.89 0.77 1a49C1 SER 1561 H 0.03 -0.01 0.06 -0.55 8.46 7.99 1a49C1 SER 1561 HA 0.05 0.31 1.00 -0.75 4.49 5.09 1a49C1 SER 1561 HB2 0.04 -0.16 0.20 -0.04 3.95 3.99 1a49C1 SER 1561 HB3 0.05 0.12 0.10 -0.04 3.93 4.16 1a49C1 GLY 1562 H 0.03 0.12 0.14 -0.55 8.43 8.18 1a49C1 GLY 1562 HA2 0.01 0.12 0.31 -0.51 4.01 3.94 1a49C1 GLY 1562 HA3 0.02 0.12 0.32 -0.51 4.01 3.96 1a49C1 GLU 1563 H 0.03 -0.10 -0.27 -0.55 8.60 7.71 1a49C1 GLU 1563 HA 0.04 0.13 0.18 -0.75 4.29 3.88 1a49C1 GLU 1563 HB2 0.03 -0.11 -0.08 -0.04 2.09 1.90 1a49C1 GLU 1563 HB3 0.04 0.20 -0.10 -0.04 1.99 2.09 1a49C1 GLU 1563 HG2 0.03 0.40 -0.24 -0.04 2.34 2.49 1a49C1 GLU 1563 HG3 0.03 0.02 -0.15 -0.04 2.34 2.20 1a49C1 THR 1564 H 0.03 0.10 -0.39 -0.55 8.28 7.48 1a49C1 THR 1564 HA 0.03 0.21 0.86 -0.75 4.39 4.74 1a49C1 THR 1564 HB 0.03 0.07 -0.08 -0.04 4.32 4.30 1a49C1 THR 1564 HG23 0.03 -0.03 -0.17 -0.04 1.22 1.02 1a49C1 ALA 1565 H 0.03 0.29 0.09 -0.55 8.40 8.26 1a49C1 ALA 1565 HA 0.04 -0.12 0.23 -0.75 4.34 3.74 1a49C1 ALA 1565 HB3 0.02 -0.04 -0.10 -0.04 1.41 1.26 1a49C1 LYS 1566 H 0.01 0.37 -0.13 -0.55 8.42 8.12 1a49C1 LYS 1566 HA -0.01 0.00 0.80 -0.75 4.32 4.36 1a49C1 LYS 1566 HB2 -0.03 0.03 0.07 -0.04 1.87 1.90 1a49C1 LYS 1566 HB3 -0.03 -0.05 -0.21 -0.04 1.79 1.46 1a49C1 LYS 1566 HG2 -0.01 -0.01 0.08 -0.04 1.46 1.48 1a49C1 LYS 1566 HG3 -0.01 0.10 -0.43 -0.04 1.46 1.08 1a49C1 LYS 1566 HD2 -0.03 0.04 -0.06 -0.04 1.69 1.60 1a49C1 LYS 1566 HD3 -0.01 -0.15 -0.03 -0.04 1.68 1.45 1a49C1 LYS 1566 HE2 -0.02 0.07 -0.15 -0.04 2.99 2.85 1a49C1 LYS 1566 HE3 -0.02 0.03 -0.07 -0.04 2.99 2.89 1a49C1 GLY 1567 H 0.01 0.19 -0.07 -0.55 8.43 8.01 1a49C1 GLY 1567 HA2 -0.01 0.02 0.49 -0.51 4.01 4.00 1a49C1 GLY 1567 HA3 0.01 -0.02 0.39 -0.51 4.01 3.89 1a49C1 ASP 1568 H -0.04 0.79 0.36 -0.55 8.40 8.96 1a49C1 ASP 1568 HA -0.19 0.09 0.66 -0.75 4.63 4.44 1a49C1 ASP 1568 HB2 -0.27 0.09 0.06 -0.04 2.71 2.55 1a49C1 ASP 1568 HB3 -0.73 -0.06 -0.00 -0.04 2.70 1.86 1a49C1 TYR 1569 H 0.05 0.16 -0.11 -0.55 8.29 7.84 1a49C1 TYR 1569 HA 0.00 0.16 0.82 -0.75 4.56 4.78 1a49C1 TYR 1569 HB2 0.00 0.28 0.08 -0.04 3.06 3.39 1a49C1 TYR 1569 HB3 0.01 -0.14 0.15 -0.04 2.98 2.95 1a49C1 TYR 1569 HD2 0.00 -0.02 -0.36 -0.04 7.15 6.73 1a49C1 TYR 1569 HE2 -0.00 0.17 -0.17 -0.04 6.85 6.80 1a49C1 PRO 1570 HA 0.05 0.15 0.31 -0.51 4.44 4.43 1a49C1 PRO 1570 HB2 0.03 -0.00 0.05 -0.04 2.28 2.31 1a49C1 PRO 1570 HB3 0.02 0.09 0.16 -0.04 2.02 2.25 1a49C1 PRO 1570 HG2 0.01 -0.04 0.07 -0.04 2.03 2.03 1a49C1 PRO 1570 HG3 -0.00 0.26 0.03 -0.04 2.03 2.27 1a49C1 PRO 1570 HD2 -0.00 0.14 -0.10 -0.04 3.68 3.67 1a49C1 PRO 1570 HD3 -0.03 0.21 -0.57 -0.04 3.65 3.21 1a49C1 LEU 1571 H 0.05 0.19 -0.07 -0.55 8.37 7.98 1a49C1 LEU 1571 HA 0.03 0.06 0.29 -0.75 4.35 3.98 1a49C1 LEU 1571 HB2 0.06 -0.04 0.02 -0.04 1.64 1.64 1a49C1 LEU 1571 HB3 0.03 0.08 -0.04 -0.04 1.64 1.68 1a49C1 LEU 1571 HG 0.03 -0.04 0.06 -0.04 1.64 1.65 1a49C1 LEU 1571 HD13 0.03 0.01 -0.00 -0.04 0.93 0.93 1a49C1 LEU 1571 HD23 0.02 0.04 -0.14 -0.04 0.89 0.77 1a49C1 GLU 1572 H 0.10 0.09 -0.29 -0.55 8.60 7.95 1a49C1 GLU 1572 HA 0.03 0.08 0.51 -0.75 4.29 4.16 1a49C1 GLU 1572 HB2 0.07 0.06 0.12 -0.04 2.09 2.30 1a49C1 GLU 1572 HB3 -0.02 0.11 0.09 -0.04 1.99 2.13 1a49C1 GLU 1572 HG2 -0.03 0.01 0.05 -0.04 2.34 2.33 1a49C1 GLU 1572 HG3 0.02 0.02 0.02 -0.04 2.34 2.37 1a49C1 ALA 1573 H 0.07 0.60 -0.12 -0.55 8.40 8.40 1a49C1 ALA 1573 HA 0.03 -0.03 0.35 -0.75 4.34 3.93 1a49C1 ALA 1573 HB3 0.05 0.02 0.03 -0.04 1.41 1.46 1a49C1 VAL 1574 H 0.04 0.49 -0.18 -0.55 8.24 8.04 1a49C1 VAL 1574 HA 0.03 -0.06 0.28 -0.75 4.13 3.63 1a49C1 VAL 1574 HB 0.02 0.16 0.12 -0.04 2.12 2.38 1a49C1 VAL 1574 HG13 0.01 0.07 -0.31 -0.04 0.97 0.69 1a49C1 VAL 1574 HG23 0.02 0.03 -0.07 -0.04 0.95 0.89 1a49C1 ARG 1575 H 0.03 0.50 -0.03 -0.55 8.46 8.41 1a49C1 ARG 1575 HA 0.06 0.23 0.48 -0.75 4.34 4.36 1a49C1 ARG 1575 HB2 0.03 0.01 0.16 -0.04 1.90 2.06 1a49C1 ARG 1575 HB3 0.04 -0.05 0.06 -0.04 1.80 1.81 1a49C1 ARG 1575 HG2 -0.00 0.10 0.15 -0.04 1.67 1.87 1a49C1 ARG 1575 HG3 0.02 0.19 0.20 -0.04 1.67 2.04 1a49C1 ARG 1575 HD2 0.02 -0.10 -0.09 -0.04 3.22 3.01 1a49C1 ARG 1575 HD3 0.01 -0.02 0.01 -0.04 3.22 3.18 1a49C1 MET 1576 H 0.04 0.52 -0.41 -0.55 8.47 8.08 1a49C1 MET 1576 HA 0.03 -0.00 0.42 -0.75 4.52 4.22 1a49C1 MET 1576 HB2 0.01 0.04 0.10 -0.04 2.15 2.26 1a49C1 MET 1576 HB3 0.02 0.08 0.14 -0.04 2.03 2.23 1a49C1 MET 1576 HG2 0.00 -0.11 -0.03 -0.04 2.63 2.45 1a49C1 MET 1576 HG3 0.01 -0.03 -0.18 -0.04 2.56 2.32 1a49C1 MET 1576 HE3 -0.01 -0.00 0.03 -0.04 2.10 2.08 1a49C1 GLN 1577 H 0.04 0.53 -0.10 -0.55 8.47 8.40 1a49C1 GLN 1577 HA 0.02 -0.10 0.43 -0.75 4.36 3.96 1a49C1 GLN 1577 HB2 0.04 0.16 0.16 -0.04 2.15 2.47 1a49C1 GLN 1577 HB3 0.03 0.02 -0.04 -0.04 2.02 2.00 1a49C1 GLN 1577 HG2 0.02 -0.06 -0.03 -0.04 2.40 2.28 1a49C1 GLN 1577 HG3 0.02 0.01 -0.07 -0.04 2.39 2.32 1a49C1 GLN 1577 HE21 0.00 0.06 -0.16 -0.04 6.97 6.83 1a49C1 GLN 1577 HE22 0.01 -0.09 -0.10 -0.04 7.69 7.47 1a49C1 HIS 1578 H 0.14 0.67 -0.08 -0.55 8.41 8.59 1a49C1 HIS 1578 HA 0.02 0.00 0.29 -0.75 4.63 4.19 1a49C1 HIS 1578 HB2 0.01 0.08 0.18 -0.04 3.26 3.49 1a49C1 HIS 1578 HB3 0.02 0.16 0.31 -0.04 3.20 3.64 1a49C1 HIS 1578 HD2 0.03 -0.06 -0.07 -0.04 6.97 6.82 1a49C1 HIS 1578 HE1 0.11 -0.00 0.07 -0.04 7.75 7.88 1a49C1 LEU 1579 H 0.12 0.83 0.06 -0.55 8.37 8.84 1a49C1 LEU 1579 HA -0.02 0.02 0.40 -0.75 4.35 4.00 1a49C1 LEU 1579 HB2 0.05 0.13 0.19 -0.04 1.64 1.97 1a49C1 LEU 1579 HB3 0.01 -0.06 -0.00 -0.04 1.64 1.56 1a49C1 LEU 1579 HG 0.02 -0.05 -0.01 -0.04 1.64 1.56 1a49C1 LEU 1579 HD13 0.08 0.01 0.05 -0.04 0.93 1.03 1a49C1 LEU 1579 HD23 0.03 -0.02 -0.01 -0.04 0.89 0.84 1a49C1 ILE 1580 H -0.00 0.59 -0.10 -0.55 8.25 8.19 1a49C1 ILE 1580 HA -0.01 0.02 0.53 -0.75 4.18 3.97 1a49C1 ILE 1580 HB -0.00 0.12 0.12 -0.04 1.89 2.08 1a49C1 ILE 1580 HG12 -0.00 -0.05 0.04 -0.04 1.49 1.43 1a49C1 ILE 1580 HG13 0.00 0.03 0.03 -0.04 1.21 1.23 1a49C1 ILE 1580 HG23 -0.00 -0.03 -0.19 -0.04 0.93 0.67 1a49C1 ILE 1580 HD13 0.00 -0.02 0.01 -0.04 0.88 0.83 1a49C1 ALA 1581 H -0.04 0.68 -0.07 -0.55 8.40 8.43 1a49C1 ALA 1581 HA -0.01 -0.02 0.45 -0.75 4.34 4.00 1a49C1 ALA 1581 HB3 -0.03 0.03 0.09 -0.04 1.41 1.46 1a49C1 ARG 1582 H -0.13 0.53 -0.03 -0.55 8.46 8.27 1a49C1 ARG 1582 HA -0.03 0.05 0.46 -0.75 4.34 4.07 1a49C1 ARG 1582 HB2 -0.15 0.18 0.15 -0.04 1.90 2.04 1a49C1 ARG 1582 HB3 -0.06 -0.01 -0.02 -0.04 1.80 1.68 1a49C1 ARG 1582 HG2 -0.12 -0.05 -0.04 -0.04 1.67 1.42 1a49C1 ARG 1582 HG3 -0.48 0.05 -0.01 -0.04 1.67 1.19 1a49C1 ARG 1582 HD2 -0.03 -0.13 -0.06 -0.04 3.22 2.96 1a49C1 ARG 1582 HD3 0.00 0.20 -0.18 -0.04 3.22 3.20 1a49C1 GLU 1583 H -0.03 0.34 -0.25 -0.55 8.60 8.12 1a49C1 GLU 1583 HA 0.00 0.02 0.41 -0.75 4.29 3.97 1a49C1 GLU 1583 HB2 -0.02 0.20 0.24 -0.04 2.09 2.47 1a49C1 GLU 1583 HB3 -0.01 0.02 -0.02 -0.04 1.99 1.94 1a49C1 GLU 1583 HG2 -0.01 -0.05 0.04 -0.04 2.34 2.28 1a49C1 GLU 1583 HG3 -0.01 -0.07 0.02 -0.04 2.34 2.24 1a49C1 ALA 1584 H -0.00 0.44 -0.24 -0.55 8.40 8.05 1a49C1 ALA 1584 HA 0.02 0.01 0.65 -0.75 4.34 4.27 1a49C1 ALA 1584 HB3 0.02 -0.03 0.11 -0.04 1.41 1.46 1a49C1 GLU 1585 H 0.03 0.83 0.06 -0.55 8.60 8.97 1a49C1 GLU 1585 HA 0.07 0.03 0.37 -0.75 4.29 3.99 1a49C1 GLU 1585 HB2 0.06 0.10 0.20 -0.04 2.09 2.40 1a49C1 GLU 1585 HB3 0.11 0.06 0.08 -0.04 1.99 2.20 1a49C1 GLU 1585 HG2 0.06 0.04 0.00 -0.04 2.34 2.40 1a49C1 GLU 1585 HG3 0.03 0.16 -0.00 -0.04 2.34 2.49 1a49C1 ALA 1586 H 0.06 0.34 -0.40 -0.55 8.40 7.86 1a49C1 ALA 1586 HA 0.16 0.08 0.28 -0.75 4.34 4.10 1a49C1 ALA 1586 HB3 0.05 0.01 -0.03 -0.04 1.41 1.40 1a49C1 ALA 1587 H 0.06 0.21 -0.25 -0.55 8.40 7.86 1a49C1 ALA 1587 HA 0.04 -0.02 0.50 -0.75 4.34 4.10 1a49C1 ALA 1587 HB3 0.01 0.01 0.10 -0.04 1.41 1.49 1a49C1 MET 1588 H 0.07 0.33 -0.43 -0.55 8.47 7.89 1a49C1 MET 1588 HA 0.09 -0.06 0.46 -0.75 4.52 4.26 1a49C1 MET 1588 HB2 -0.64 0.03 -0.11 -0.04 2.15 1.39 1a49C1 MET 1588 HB3 -0.21 -0.08 -0.06 -0.04 2.03 1.64 1a49C1 MET 1588 HG2 -0.01 -0.08 -0.07 -0.04 2.63 2.43 1a49C1 MET 1588 HG3 -0.00 0.21 0.06 -0.04 2.56 2.79 1a49C1 MET 1588 HE3 -0.07 -0.01 -0.09 -0.04 2.10 1.89 1a49C1 PHE 1589 H 0.10 0.10 0.05 -0.55 8.34 8.04 1a49C1 PHE 1589 HA -0.40 0.20 0.61 -0.75 4.62 4.28 1a49C1 PHE 1589 HB2 -0.76 0.07 0.09 -0.04 3.15 2.51 1a49C1 PHE 1589 HB3 -0.12 -0.07 0.22 -0.04 3.06 3.05 1a49C1 PHE 1589 HD2 -0.05 0.01 -0.01 -0.04 7.28 7.19 1a49C1 PHE 1589 HE2 -0.02 0.02 -0.25 -0.04 7.38 7.09 1a49C1 PHE 1589 HZ -0.03 0.13 -0.47 -0.04 7.32 6.91 1a49C1 HIS 1590 H 0.25 0.46 -0.05 -0.55 8.41 8.52 1a49C1 HIS 1590 HA 0.04 0.07 0.20 -0.75 4.63 4.18 1a49C1 HIS 1590 HB2 -0.27 -0.04 0.08 -0.04 3.26 2.99 1a49C1 HIS 1590 HB3 -0.06 0.09 0.05 -0.04 3.20 3.24 1a49C1 HIS 1590 HD2 0.07 0.10 0.06 -0.04 6.97 7.15 1a49C1 HIS 1590 HE1 0.11 0.07 -0.11 -0.04 7.75 7.77 1a49C1 ARG 1591 H -0.05 0.18 -0.12 -0.55 8.46 7.93 1a49C1 ARG 1591 HA -0.19 0.07 0.44 -0.75 4.34 3.91 1a49C1 ARG 1591 HB2 -0.05 0.17 0.16 -0.04 1.90 2.14 1a49C1 ARG 1591 HB3 -0.32 -0.10 0.08 -0.04 1.80 1.42 1a49C1 ARG 1591 HG2 -0.10 -0.04 0.05 -0.04 1.67 1.55 1a49C1 ARG 1591 HG3 -0.04 0.10 0.05 -0.04 1.67 1.74 1a49C1 ARG 1591 HD2 -0.13 -0.06 -0.26 -0.04 3.22 2.73 1a49C1 ARG 1591 HD3 -0.04 -0.05 -0.04 -0.04 3.22 3.06 1a49C1 LYS 1592 H -0.80 0.19 -0.09 -0.55 8.42 7.16 1a49C1 LYS 1592 HA -0.24 0.01 0.46 -0.75 4.32 3.81 1a49C1 LYS 1592 HB2 -1.48 0.03 0.11 -0.04 1.87 0.49 1a49C1 LYS 1592 HB3 -0.39 0.05 -0.00 -0.04 1.79 1.40 1a49C1 LYS 1592 HG2 -0.15 -0.05 0.02 -0.04 1.46 1.24 1a49C1 LYS 1592 HG3 -0.19 -0.03 0.10 -0.04 1.46 1.30 1a49C1 LYS 1592 HD2 -0.43 0.08 0.01 -0.04 1.69 1.30 1a49C1 LYS 1592 HD3 -0.16 -0.07 -0.02 -0.04 1.68 1.39 1a49C1 LYS 1592 HE2 -0.02 -0.07 0.04 -0.04 2.99 2.89 1a49C1 LYS 1592 HE3 -0.05 0.01 0.04 -0.04 2.99 2.94 1a49C1 LEU 1593 H -0.16 0.48 -0.19 -0.55 8.37 7.96 1a49C1 LEU 1593 HA -0.02 -0.04 0.34 -0.75 4.35 3.86 1a49C1 LEU 1593 HB2 -0.01 -0.06 0.01 -0.04 1.64 1.53 1a49C1 LEU 1593 HB3 0.02 0.09 0.02 -0.04 1.64 1.74 1a49C1 LEU 1593 HG 0.11 0.09 -0.40 -0.04 1.64 1.40 1a49C1 LEU 1593 HD13 0.01 -0.03 0.00 -0.04 0.93 0.87 1a49C1 LEU 1593 HD23 0.02 0.02 -0.11 -0.04 0.89 0.79 1a49C1 PHE 1594 H 0.21 0.61 -0.15 -0.55 8.34 8.45 1a49C1 PHE 1594 HA 0.16 0.13 0.44 -0.75 4.62 4.59 1a49C1 PHE 1594 HB2 0.29 0.16 0.14 -0.04 3.15 3.70 1a49C1 PHE 1594 HB3 0.10 0.06 0.18 -0.04 3.06 3.36 1a49C1 PHE 1594 HD2 0.18 0.17 -0.09 -0.04 7.28 7.50 1a49C1 PHE 1594 HE2 0.01 -0.04 -0.02 -0.04 7.38 7.29 1a49C1 PHE 1594 HZ -0.08 -0.05 0.01 -0.04 7.32 7.16 1a49C1 GLU 1595 H 0.15 0.51 -0.04 -0.55 8.60 8.68 1a49C1 GLU 1595 HA 0.03 0.01 0.51 -0.75 4.29 4.08 1a49C1 GLU 1595 HB2 -0.01 0.10 0.21 -0.04 2.09 2.35 1a49C1 GLU 1595 HB3 0.01 -0.10 0.06 -0.04 1.99 1.92 1a49C1 GLU 1595 HG2 0.12 -0.06 0.06 -0.04 2.34 2.42 1a49C1 GLU 1595 HG3 0.11 0.31 0.14 -0.04 2.34 2.86 1a49C1 GLU 1596 H -0.02 0.77 -0.07 -0.55 8.60 8.73 1a49C1 GLU 1596 HA -0.03 -0.08 0.35 -0.75 4.29 3.78 1a49C1 GLU 1596 HB2 -0.03 0.14 0.11 -0.04 2.09 2.27 1a49C1 GLU 1596 HB3 -0.03 -0.08 0.03 -0.04 1.99 1.88 1a49C1 GLU 1596 HG2 -0.03 -0.10 0.03 -0.04 2.34 2.19 1a49C1 GLU 1596 HG3 -0.05 0.28 0.11 -0.04 2.34 2.64 1a49C1 LEU 1597 H -0.04 0.70 -0.12 -0.55 8.37 8.36 1a49C1 LEU 1597 HA -0.04 -0.02 0.39 -0.75 4.35 3.94 1a49C1 LEU 1597 HB2 -0.03 0.14 0.24 -0.04 1.64 1.95 1a49C1 LEU 1597 HB3 0.01 -0.03 -0.02 -0.04 1.64 1.55 1a49C1 LEU 1597 HG -0.13 0.13 0.03 -0.04 1.64 1.63 1a49C1 LEU 1597 HD13 -0.05 -0.05 -0.05 -0.04 0.93 0.74 1a49C1 LEU 1597 HD23 0.04 0.04 -0.10 -0.04 0.89 0.83 1a49C1 ALA 1598 H -0.16 0.61 -0.28 -0.55 8.40 8.02 1a49C1 ALA 1598 HA -0.04 0.01 0.44 -0.75 4.34 3.99 1a49C1 ALA 1598 HB3 -0.23 0.00 0.10 -0.04 1.41 1.24 1a49C1 ARG 1599 H -0.04 0.62 -0.05 -0.55 8.46 8.44 1a49C1 ARG 1599 HA -0.01 -0.05 0.34 -0.75 4.34 3.88 1a49C1 ARG 1599 HB2 -0.02 0.10 0.20 -0.04 1.90 2.14 1a49C1 ARG 1599 HB3 -0.00 -0.06 0.12 -0.04 1.80 1.81 1a49C1 ARG 1599 HG2 -0.00 -0.03 0.06 -0.04 1.67 1.66 1a49C1 ARG 1599 HG3 -0.01 0.01 0.02 -0.04 1.67 1.64 1a49C1 ARG 1599 HD2 -0.00 0.00 0.02 -0.04 3.22 3.20 1a49C1 ARG 1599 HD3 -0.00 -0.04 0.02 -0.04 3.22 3.16 1a49C1 SER 1600 H -0.00 0.51 -0.32 -0.55 8.46 8.11 1a49C1 SER 1600 HA 0.04 -0.09 -0.00 -0.75 4.49 3.68 1a49C1 SER 1600 HB2 0.02 -0.14 0.06 -0.04 3.95 3.85 1a49C1 SER 1600 HB3 0.00 0.13 0.16 -0.04 3.93 4.18 1a49C1 SER 1601 H 0.04 0.52 -0.07 -0.55 8.46 8.40 1a49C1 SER 1601 HA 0.03 -0.00 0.65 -0.75 4.49 4.42 1a49C1 SER 1601 HB2 0.07 0.04 0.12 -0.04 3.95 4.13 1a49C1 SER 1601 HB3 0.14 0.23 0.19 -0.04 3.93 4.44 1a49C1 SER 1602 H 0.04 0.42 -0.50 -0.55 8.46 7.87 1a49C1 SER 1602 HA -0.05 0.05 0.15 -0.75 4.49 3.89 1a49C1 SER 1602 HB2 0.01 -0.15 -0.00 -0.04 3.95 3.77 1a49C1 SER 1602 HB3 -0.00 0.04 0.09 -0.04 3.93 4.01 1a49C1 HIS 1603 H 0.30 0.17 -0.23 -0.55 8.41 8.11 1a49C1 HIS 1603 HA -0.01 -0.00 0.53 -0.75 4.63 4.40 1a49C1 HIS 1603 HB2 -0.00 -0.08 0.04 -0.04 3.26 3.17 1a49C1 HIS 1603 HB3 -0.00 -0.02 0.11 -0.04 3.20 3.24 1a49C1 HIS 1603 HD2 -0.00 -0.09 -0.06 -0.04 6.97 6.77 1a49C1 HIS 1603 HE1 -0.00 0.15 0.09 -0.04 7.75 7.95 1a49C1 SER 1604 H -1.24 0.24 -0.10 -0.55 8.46 6.82 1a49C1 SER 1604 HA -0.17 -0.13 0.36 -0.75 4.49 3.80 1a49C1 SER 1604 HB2 -0.68 -0.01 0.16 -0.04 3.95 3.38 1a49C1 SER 1604 HB3 -0.30 0.26 0.14 -0.04 3.93 3.98 1a49C1 THR 1605 H -0.07 -0.01 0.19 -0.55 8.28 7.84 1a49C1 THR 1605 HA -0.07 0.35 0.97 -0.75 4.39 4.89 1a49C1 THR 1605 HB -0.04 -0.06 0.18 -0.04 4.32 4.36 1a49C1 THR 1605 HG23 -0.04 0.06 -0.09 -0.04 1.22 1.12 1a49C1 ASP 1606 H -0.07 0.08 0.02 -0.55 8.40 7.88 1a49C1 ASP 1606 HA -0.09 -0.00 0.41 -0.75 4.63 4.19 1a49C1 ASP 1606 HB2 -0.05 0.08 0.15 -0.04 2.71 2.85 1a49C1 ASP 1606 HB3 -0.05 0.10 0.08 -0.04 2.70 2.78 1a49C1 LEU 1607 H -0.19 0.11 0.22 -0.55 8.37 7.96 1a49C1 LEU 1607 HA -0.12 0.20 0.62 -0.75 4.35 4.30 1a49C1 LEU 1607 HB2 -0.35 -0.05 0.22 -0.04 1.64 1.42 1a49C1 LEU 1607 HB3 -0.62 0.03 0.01 -0.04 1.64 1.02 1a49C1 LEU 1607 HG -0.03 0.03 0.08 -0.04 1.64 1.68 1a49C1 LEU 1607 HD13 -0.07 0.03 0.02 -0.04 0.93 0.88 1a49C1 LEU 1607 HD23 -0.01 0.00 0.04 -0.04 0.89 0.88 1a49C1 MET 1608 H -0.41 0.09 0.02 -0.55 8.47 7.62 1a49C1 MET 1608 HA -0.07 0.15 0.49 -0.75 4.52 4.34 1a49C1 MET 1608 HB2 -0.29 -0.01 0.08 -0.04 2.15 1.90 1a49C1 MET 1608 HB3 -0.12 0.02 0.08 -0.04 2.03 1.96 1a49C1 MET 1608 HG2 0.06 -0.03 -0.04 -0.04 2.63 2.57 1a49C1 MET 1608 HG3 0.05 0.11 -0.12 -0.04 2.56 2.56 1a49C1 MET 1608 HE3 0.10 0.03 0.03 -0.04 2.10 2.22 1a49C1 GLU 1609 H -0.07 -0.03 -0.51 -0.55 8.60 7.44 1a49C1 GLU 1609 HA 0.07 0.12 0.21 -0.75 4.29 3.93 1a49C1 GLU 1609 HB2 -0.03 -0.17 -0.05 -0.04 2.09 1.80 1a49C1 GLU 1609 HB3 -0.06 0.14 -0.29 -0.04 1.99 1.74 1a49C1 GLU 1609 HG2 0.32 0.11 -0.03 -0.04 2.34 2.70 1a49C1 GLU 1609 HG3 0.19 -0.03 -0.02 -0.04 2.34 2.43 1a49C1 ALA 1610 H -0.07 0.30 -0.36 -0.55 8.40 7.72 1a49C1 ALA 1610 HA -0.09 0.08 0.50 -0.75 4.34 4.07 1a49C1 ALA 1610 HB3 -0.04 0.02 0.10 -0.04 1.41 1.46 1a49C1 MET 1611 H 0.01 0.51 -0.12 -0.55 8.47 8.33 1a49C1 MET 1611 HA 0.04 -0.02 0.27 -0.75 4.52 4.06 1a49C1 MET 1611 HB2 0.13 0.10 0.22 -0.04 2.15 2.55 1a49C1 MET 1611 HB3 0.11 -0.04 -0.05 -0.04 2.03 2.01 1a49C1 MET 1611 HG2 0.25 0.06 0.05 -0.04 2.63 2.95 1a49C1 MET 1611 HG3 0.34 0.25 0.16 -0.04 2.56 3.26 1a49C1 MET 1611 HE3 0.06 -0.04 -0.42 -0.04 2.10 1.67 1a49C1 ALA 1612 H 0.03 0.60 -0.14 -0.55 8.40 8.35 1a49C1 ALA 1612 HA 0.06 -0.05 0.24 -0.75 4.34 3.84 1a49C1 ALA 1612 HB3 0.12 0.05 -0.07 -0.04 1.41 1.47 1a49C1 MET 1613 H -0.18 0.66 -0.14 -0.55 8.47 8.26 1a49C1 MET 1613 HA 0.01 0.06 0.39 -0.75 4.52 4.23 1a49C1 MET 1613 HB2 -0.13 0.01 0.14 -0.04 2.15 2.12 1a49C1 MET 1613 HB3 -0.03 -0.06 0.03 -0.04 2.03 1.93 1a49C1 MET 1613 HG2 -1.55 -0.01 0.02 -0.04 2.63 1.06 1a49C1 MET 1613 HG3 -0.60 0.53 0.14 -0.04 2.56 2.59 1a49C1 MET 1613 HE3 -0.47 -0.01 -0.03 -0.04 2.10 1.55 1a49C1 GLY 1614 H -0.03 0.83 -0.06 -0.55 8.43 8.62 1a49C1 GLY 1614 HA2 -0.01 -0.02 0.39 -0.51 4.01 3.86 1a49C1 GLY 1614 HA3 -0.01 0.01 0.29 -0.51 4.01 3.78 1a49C1 SER 1615 H -0.01 0.71 -0.25 -0.55 8.46 8.36 1a49C1 SER 1615 HA -0.04 -0.06 0.36 -0.75 4.49 3.99 1a49C1 SER 1615 HB2 -0.00 0.18 0.09 -0.04 3.95 4.18 1a49C1 SER 1615 HB3 -0.01 -0.12 -0.07 -0.04 3.93 3.68 1a49C1 VAL 1616 H -0.04 0.76 -0.05 -0.55 8.24 8.36 1a49C1 VAL 1616 HA -0.24 -0.01 0.41 -0.75 4.13 3.53 1a49C1 VAL 1616 HB 0.04 0.05 0.09 -0.04 2.12 2.26 1a49C1 VAL 1616 HG13 -0.44 0.04 -0.23 -0.04 0.97 0.29 1a49C1 VAL 1616 HG23 0.09 0.07 -0.07 -0.04 0.95 1.01 1a49C1 GLU 1617 H -0.21 0.80 -0.08 -0.55 8.60 8.56 1a49C1 GLU 1617 HA -0.43 0.00 0.42 -0.75 4.29 3.52 1a49C1 GLU 1617 HB2 -0.13 0.06 0.09 -0.04 2.09 2.07 1a49C1 GLU 1617 HB3 -0.09 0.11 0.17 -0.04 1.99 2.14 1a49C1 GLU 1617 HG2 -0.02 -0.06 -0.03 -0.04 2.34 2.18 1a49C1 GLU 1617 HG3 -0.06 -0.03 -0.27 -0.04 2.34 1.94 1a49C1 ALA 1618 H -0.12 0.64 -0.25 -0.55 8.40 8.13 1a49C1 ALA 1618 HA -0.05 -0.05 0.43 -0.75 4.34 3.91 1a49C1 ALA 1618 HB3 -0.05 0.03 0.07 -0.04 1.41 1.41 1a49C1 SER 1619 H -0.17 0.59 -0.18 -0.55 8.46 8.15 1a49C1 SER 1619 HA -0.07 -0.11 0.26 -0.75 4.49 3.82 1a49C1 SER 1619 HB2 -0.10 -0.04 -0.02 -0.04 3.95 3.75 1a49C1 SER 1619 HB3 -0.12 0.01 0.06 -0.04 3.93 3.84 1a49C1 TYR 1620 H -0.30 0.56 -0.23 -0.55 8.29 7.77 1a49C1 TYR 1620 HA -0.08 0.01 0.30 -0.75 4.56 4.04 1a49C1 TYR 1620 HB2 -0.15 0.08 0.17 -0.04 3.06 3.13 1a49C1 TYR 1620 HB3 -0.09 -0.04 0.01 -0.04 2.98 2.81 1a49C1 TYR 1620 HD2 -0.26 -0.04 0.01 -0.04 7.15 6.83 1a49C1 TYR 1620 HE2 -0.40 -0.07 0.03 -0.04 6.85 6.37 1a49C1 LYS 1621 H 0.03 0.45 -0.06 -0.55 8.42 8.29 1a49C1 LYS 1621 HA 0.02 -0.02 0.34 -0.75 4.32 3.91 1a49C1 LYS 1621 HB2 -0.00 0.03 0.14 -0.04 1.87 2.00 1a49C1 LYS 1621 HB3 -0.01 0.06 0.16 -0.04 1.79 1.95 1a49C1 LYS 1621 HG2 -0.01 -0.07 -0.02 -0.04 1.46 1.33 1a49C1 LYS 1621 HG3 -0.00 0.00 -0.21 -0.04 1.46 1.20 1a49C1 LYS 1621 HD2 0.01 0.04 0.10 -0.04 1.69 1.79 1a49C1 LYS 1621 HD3 0.01 -0.00 0.04 -0.04 1.68 1.68 1a49C1 LYS 1621 HE2 0.00 -0.04 -0.01 -0.04 2.99 2.91 1a49C1 LYS 1621 HE3 0.00 -0.01 -0.01 -0.04 2.99 2.92 1a49C1 CYS 1622 H -0.01 0.53 -0.16 -0.55 8.50 8.31 1a49C1 CYS 1622 HA -0.00 0.15 0.85 -0.75 4.58 4.83 1a49C1 CYS 1622 HB2 -0.01 -0.05 0.11 -0.04 2.97 2.98 1a49C1 CYS 1622 HB3 -0.01 -0.07 0.01 -0.04 2.97 2.86 1a49C1 LEU 1623 H 0.02 0.52 -0.47 -0.55 8.37 7.89 1a49C1 LEU 1623 HA 0.02 0.10 0.41 -0.75 4.35 4.12 1a49C1 LEU 1623 HB2 0.01 0.01 -0.28 -0.04 1.64 1.33 1a49C1 LEU 1623 HB3 0.01 -0.04 0.20 -0.04 1.64 1.77 1a49C1 LEU 1623 HG 0.01 0.11 -0.07 -0.04 1.64 1.65 1a49C1 LEU 1623 HD13 0.01 -0.04 -0.01 -0.04 0.93 0.85 1a49C1 LEU 1623 HD23 0.02 0.00 0.10 -0.04 0.89 0.96 1a49C1 ALA 1624 H -0.02 0.17 -0.21 -0.55 8.40 7.79 1a49C1 ALA 1624 HA -0.02 0.02 0.39 -0.75 4.34 3.98 1a49C1 ALA 1624 HB3 -0.04 -0.05 0.00 -0.04 1.41 1.29 1a49C1 ALA 1625 H -0.01 0.95 0.49 -0.55 8.40 9.28 1a49C1 ALA 1625 HA 0.05 0.19 0.80 -0.75 4.34 4.62 1a49C1 ALA 1625 HB3 0.17 -0.01 0.14 -0.04 1.41 1.66 1a49C1 ALA 1626 H 0.01 0.16 0.06 -0.55 8.40 8.09 1a49C1 ALA 1626 HA -0.00 0.17 0.34 -0.75 4.34 4.10 1a49C1 ALA 1626 HB3 0.21 0.05 -0.13 -0.04 1.41 1.50 1a49C1 LEU 1627 H 0.02 0.86 0.30 -0.55 8.37 9.01 1a49C1 LEU 1627 HA -0.00 0.18 0.99 -0.75 4.35 4.76 1a49C1 LEU 1627 HB2 0.02 0.02 -0.02 -0.04 1.64 1.62 1a49C1 LEU 1627 HB3 0.01 -0.06 -0.06 -0.04 1.64 1.48 1a49C1 LEU 1627 HG -0.03 0.00 -0.19 -0.04 1.64 1.38 1a49C1 LEU 1627 HD13 -0.02 0.01 -0.30 -0.04 0.93 0.58 1a49C1 LEU 1627 HD23 -0.03 -0.01 -0.19 -0.04 0.89 0.62 1a49C1 ILE 1628 H 0.00 0.77 0.43 -0.55 8.25 8.91 1a49C1 ILE 1628 HA 0.05 0.30 1.14 -0.75 4.18 4.92 1a49C1 ILE 1628 HB -0.00 -0.07 0.21 -0.04 1.89 1.98 1a49C1 ILE 1628 HG12 0.10 0.04 -0.03 -0.04 1.49 1.56 1a49C1 ILE 1628 HG13 0.04 0.01 -0.29 -0.04 1.21 0.93 1a49C1 ILE 1628 HG23 0.01 -0.01 -0.11 -0.04 0.93 0.78 1a49C1 ILE 1628 HD13 -0.01 -0.01 -0.11 -0.04 0.88 0.71 1a49C1 VAL 1629 H 0.03 0.88 0.38 -0.55 8.24 8.99 1a49C1 VAL 1629 HA 0.01 0.27 1.25 -0.75 4.13 4.90 1a49C1 VAL 1629 HB 0.02 -0.03 -0.04 -0.04 2.12 2.03 1a49C1 VAL 1629 HG13 0.00 -0.05 -0.40 -0.04 0.97 0.48 1a49C1 VAL 1629 HG23 0.03 0.03 -0.31 -0.04 0.95 0.65 1a49C1 LEU 1630 H -0.01 0.57 0.31 -0.55 8.37 8.69 1a49C1 LEU 1630 HA -0.02 0.32 0.91 -0.75 4.35 4.81 1a49C1 LEU 1630 HB2 -0.07 -0.00 0.27 -0.04 1.64 1.80 1a49C1 LEU 1630 HB3 -0.07 -0.08 0.02 -0.04 1.64 1.46 1a49C1 LEU 1630 HG -0.07 0.02 -0.03 -0.04 1.64 1.51 1a49C1 LEU 1630 HD13 -0.04 0.04 -0.34 -0.04 0.93 0.55 1a49C1 LEU 1630 HD23 -0.18 0.00 0.01 -0.04 0.89 0.67 1a49C1 THR 1631 H -0.00 0.98 0.43 -0.55 8.28 9.14 1a49C1 THR 1631 HA 0.02 0.04 0.82 -0.75 4.39 4.51 1a49C1 THR 1631 HB -0.02 0.10 -0.37 -0.04 4.32 3.98 1a49C1 THR 1631 HG23 -0.05 0.09 -0.22 -0.04 1.22 1.00 1a49C1 GLU 1632 H 0.02 -0.05 0.21 -0.55 8.60 8.23 1a49C1 GLU 1632 HA 0.03 0.27 1.24 -0.75 4.29 5.07 1a49C1 GLU 1632 HB2 0.05 -0.02 0.07 -0.04 2.09 2.15 1a49C1 GLU 1632 HB3 0.04 0.06 0.07 -0.04 1.99 2.12 1a49C1 GLU 1632 HG2 0.06 -0.08 -0.33 -0.04 2.34 1.95 1a49C1 GLU 1632 HG3 0.07 0.04 -0.04 -0.04 2.34 2.37 1a49C1 SER 1633 H 0.01 -0.10 0.20 -0.55 8.46 8.02 1a49C1 SER 1633 HA 0.02 0.25 0.70 -0.75 4.49 4.70 1a49C1 SER 1633 HB2 0.02 0.15 0.13 -0.04 3.95 4.21 1a49C1 SER 1633 HB3 0.02 -0.04 0.17 -0.04 3.93 4.03 1a49C1 GLY 1634 H -0.08 -0.16 -0.07 -0.55 8.43 7.57 1a49C1 GLY 1634 HA2 -0.19 0.06 0.10 -0.51 4.01 3.47 1a49C1 GLY 1634 HA3 -0.26 0.37 0.57 -0.51 4.01 4.19 1a49C1 ARG 1635 H -0.19 0.04 -0.15 -0.55 8.46 7.61 1a49C1 ARG 1635 HA -0.48 0.21 0.28 -0.75 4.34 3.60 1a49C1 ARG 1635 HB2 -0.03 -0.04 0.02 -0.04 1.90 1.82 1a49C1 ARG 1635 HB3 -0.00 0.12 0.03 -0.04 1.80 1.91 1a49C1 ARG 1635 HG2 0.04 0.16 -0.04 -0.04 1.67 1.79 1a49C1 ARG 1635 HG3 -0.06 -0.16 -0.07 -0.04 1.67 1.34 1a49C1 ARG 1635 HD2 0.02 -0.09 0.02 -0.04 3.22 3.13 1a49C1 ARG 1635 HD3 0.03 0.02 0.01 -0.04 3.22 3.24 1a49C1 SER 1636 H -0.07 -0.03 -0.13 -0.55 8.46 7.68 1a49C1 SER 1636 HA 0.04 0.11 0.43 -0.75 4.49 4.32 1a49C1 SER 1636 HB2 0.01 0.02 -0.05 -0.04 3.95 3.89 1a49C1 SER 1636 HB3 0.07 0.12 -0.00 -0.04 3.93 4.08 1a49C1 ALA 1637 H -0.16 0.01 -0.48 -0.55 8.40 7.22 1a49C1 ALA 1637 HA 0.00 0.08 0.30 -0.75 4.34 3.97 1a49C1 ALA 1637 HB3 -0.07 0.05 -0.04 -0.04 1.41 1.31 1a49C1 HIS 1638 H -0.52 0.42 0.01 -0.55 8.41 7.78 1a49C1 HIS 1638 HA -0.19 0.11 0.38 -0.75 4.63 4.18 1a49C1 HIS 1638 HB2 -0.11 0.00 0.03 -0.04 3.26 3.14 1a49C1 HIS 1638 HB3 -0.15 0.11 0.01 -0.04 3.20 3.13 1a49C1 HIS 1638 HD2 -0.14 -0.02 -0.11 -0.04 6.97 6.65 1a49C1 HIS 1638 HE1 -0.43 0.02 -0.09 -0.04 7.75 7.20 1a49C1 GLN 1639 H 0.04 0.51 -0.35 -0.55 8.47 8.12 1a49C1 GLN 1639 HA 0.12 0.09 0.36 -0.75 4.36 4.18 1a49C1 GLN 1639 HB2 0.07 0.04 0.06 -0.04 2.15 2.28 1a49C1 GLN 1639 HB3 0.10 0.04 -0.07 -0.04 2.02 2.05 1a49C1 GLN 1639 HG2 0.09 -0.23 -0.29 -0.04 2.40 1.92 1a49C1 GLN 1639 HG3 0.24 0.07 -0.06 -0.04 2.39 2.59 1a49C1 GLN 1639 HE21 0.07 0.06 -0.04 -0.04 6.97 7.02 1a49C1 GLN 1639 HE22 0.06 -0.01 -0.04 -0.04 7.69 7.66 1a49C1 VAL 1640 H 0.09 0.24 -0.39 -0.55 8.24 7.63 1a49C1 VAL 1640 HA 0.19 0.03 0.57 -0.75 4.13 4.16 1a49C1 VAL 1640 HB 0.08 0.07 0.08 -0.04 2.12 2.31 1a49C1 VAL 1640 HG13 0.07 0.01 -0.25 -0.04 0.97 0.76 1a49C1 VAL 1640 HG23 0.07 0.01 -0.05 -0.04 0.95 0.94 1a49C1 ALA 1641 H 0.11 0.61 -0.03 -0.55 8.40 8.54 1a49C1 ALA 1641 HA 0.13 0.08 0.29 -0.75 4.34 4.09 1a49C1 ALA 1641 HB3 0.16 0.03 0.06 -0.04 1.41 1.61 1a49C1 ARG 1642 H 0.10 0.47 -0.40 -0.55 8.46 8.08 1a49C1 ARG 1642 HA -0.01 0.04 0.27 -0.75 4.34 3.89 1a49C1 ARG 1642 HB2 -0.11 -0.01 0.12 -0.04 1.90 1.86 1a49C1 ARG 1642 HB3 0.01 0.10 0.11 -0.04 1.80 1.97 1a49C1 ARG 1642 HG2 -0.25 0.18 -0.01 -0.04 1.67 1.55 1a49C1 ARG 1642 HG3 -0.83 -0.01 -0.21 -0.04 1.67 0.59 1a49C1 ARG 1642 HD2 -0.05 0.06 0.05 -0.04 3.22 3.24 1a49C1 ARG 1642 HD3 -0.05 -0.16 0.01 -0.04 3.22 2.98 1a49C1 TYR 1643 H 0.20 0.45 -0.49 -0.55 8.29 7.89 1a49C1 TYR 1643 HA 0.07 0.17 0.83 -0.75 4.56 4.88 1a49C1 TYR 1643 HB2 0.14 0.00 -0.00 -0.04 3.06 3.16 1a49C1 TYR 1643 HB3 0.25 -0.08 0.10 -0.04 2.98 3.20 1a49C1 TYR 1643 HD2 -0.10 0.16 -0.01 -0.04 7.15 7.15 1a49C1 TYR 1643 HE2 -0.08 -0.06 -0.09 -0.04 6.85 6.58 1a49C1 ARG 1644 H 0.16 0.47 -0.43 -0.55 8.46 8.10 1a49C1 ARG 1644 HA 0.18 0.16 0.29 -0.75 4.34 4.22 1a49C1 ARG 1644 HB2 0.25 -0.01 -0.28 -0.04 1.90 1.83 1a49C1 ARG 1644 HB3 0.22 -0.07 -0.01 -0.04 1.80 1.90 1a49C1 ARG 1644 HG2 0.07 0.17 -0.20 -0.04 1.67 1.66 1a49C1 ARG 1644 HG3 0.07 -0.11 -0.11 -0.04 1.67 1.48 1a49C1 ARG 1644 HD2 0.10 -0.04 -0.07 -0.04 3.22 3.17 1a49C1 ARG 1644 HD3 0.09 0.27 0.02 -0.04 3.22 3.56 1a49C1 PRO 1645 HA -0.03 0.01 0.48 -0.51 4.44 4.40 1a49C1 PRO 1645 HB2 0.00 -0.01 -0.29 -0.04 2.28 1.94 1a49C1 PRO 1645 HB3 -0.08 -0.09 -0.04 -0.04 2.02 1.77 1a49C1 PRO 1645 HG2 0.09 0.19 -0.08 -0.04 2.03 2.19 1a49C1 PRO 1645 HG3 0.06 -0.09 -0.16 -0.04 2.03 1.80 1a49C1 PRO 1645 HD2 0.15 0.17 0.12 -0.04 3.68 4.08 1a49C1 PRO 1645 HD3 0.14 0.16 -0.18 -0.04 3.65 3.73 1a49C1 ARG 1646 H 0.16 0.05 0.10 -0.55 8.46 8.21 1a49C1 ARG 1646 HA -0.00 0.12 0.30 -0.75 4.34 4.00 1a49C1 ARG 1646 HB2 -0.32 -0.06 0.11 -0.04 1.90 1.59 1a49C1 ARG 1646 HB3 -0.06 -0.01 -0.02 -0.04 1.80 1.66 1a49C1 ARG 1646 HG2 -0.07 -0.02 -0.09 -0.04 1.67 1.44 1a49C1 ARG 1646 HG3 -0.23 0.07 0.04 -0.04 1.67 1.51 1a49C1 ARG 1646 HD2 -0.06 -0.01 0.04 -0.04 3.22 3.15 1a49C1 ARG 1646 HD3 -0.24 0.06 0.06 -0.04 3.22 3.06 1a49C1 ALA 1647 H -0.01 -0.09 -0.22 -0.55 8.40 7.53 1a49C1 ALA 1647 HA -0.06 0.16 0.61 -0.75 4.34 4.30 1a49C1 ALA 1647 HB3 -0.03 0.03 -0.27 -0.04 1.41 1.09 1a49C1 PRO 1648 HA -0.02 0.16 0.31 -0.51 4.44 4.37 1a49C1 PRO 1648 HB2 -0.47 -0.09 -0.14 -0.04 2.28 1.54 1a49C1 PRO 1648 HB3 -1.12 0.05 -0.03 -0.04 2.02 0.88 1a49C1 PRO 1648 HG2 -0.55 0.09 0.17 -0.04 2.03 1.70 1a49C1 PRO 1648 HG3 -0.81 -0.02 0.09 -0.04 2.03 1.25 1a49C1 PRO 1648 HD2 -0.13 0.29 0.19 -0.04 3.68 3.99 1a49C1 PRO 1648 HD3 -0.18 0.18 0.24 -0.04 3.65 3.85 1a49C1 ILE 1649 H 0.21 0.86 0.32 -0.55 8.25 9.09 1a49C1 ILE 1649 HA 0.07 0.21 1.03 -0.75 4.18 4.74 1a49C1 ILE 1649 HB 0.15 0.03 0.03 -0.04 1.89 2.05 1a49C1 ILE 1649 HG12 0.07 -0.11 -0.18 -0.04 1.49 1.23 1a49C1 ILE 1649 HG13 0.09 0.14 -0.19 -0.04 1.21 1.20 1a49C1 ILE 1649 HG23 0.07 -0.06 -0.27 -0.04 0.93 0.64 1a49C1 ILE 1649 HD13 0.11 0.02 -0.19 -0.04 0.88 0.78 1a49C1 ILE 1650 H 0.09 0.70 0.34 -0.55 8.25 8.83 1a49C1 ILE 1650 HA 0.19 0.40 0.95 -0.75 4.18 4.97 1a49C1 ILE 1650 HB 0.12 -0.10 0.30 -0.04 1.89 2.17 1a49C1 ILE 1650 HG12 0.15 0.05 -0.07 -0.04 1.49 1.57 1a49C1 ILE 1650 HG13 0.19 -0.04 -0.04 -0.04 1.21 1.28 1a49C1 ILE 1650 HG23 0.12 -0.02 -0.06 -0.04 0.93 0.93 1a49C1 ILE 1650 HD13 0.09 0.00 -0.37 -0.04 0.88 0.56 1a49C1 ALA 1651 H 0.12 0.72 0.10 -0.55 8.40 8.80 1a49C1 ALA 1651 HA 0.04 0.15 0.83 -0.75 4.34 4.61 1a49C1 ALA 1651 HB3 0.03 -0.02 -0.03 -0.04 1.41 1.34 1a49C1 VAL 1652 H 0.02 0.49 0.31 -0.55 8.24 8.52 1a49C1 VAL 1652 HA 0.03 0.36 1.05 -0.75 4.13 4.82 1a49C1 VAL 1652 HB -0.01 -0.12 0.08 -0.04 2.12 2.04 1a49C1 VAL 1652 HG13 0.00 -0.01 -0.06 -0.04 0.97 0.86 1a49C1 VAL 1652 HG23 0.03 0.05 -0.10 -0.04 0.95 0.89 1a49C1 THR 1653 H 0.02 0.77 0.50 -0.55 8.28 9.02 1a49C1 THR 1653 HA 0.02 0.09 0.85 -0.75 4.39 4.59 1a49C1 THR 1653 HB 0.01 0.10 -0.15 -0.04 4.32 4.23 1a49C1 THR 1653 HG23 0.02 0.03 -0.18 -0.04 1.22 1.06 1a49C1 ARG 1654 H 0.04 0.14 0.21 -0.55 8.46 8.31 1a49C1 ARG 1654 HA 0.07 0.34 0.93 -0.75 4.34 4.93 1a49C1 ARG 1654 HB2 0.05 -0.09 0.11 -0.04 1.90 1.93 1a49C1 ARG 1654 HB3 0.07 0.01 0.21 -0.04 1.80 2.04 1a49C1 ARG 1654 HG2 0.05 0.49 0.08 -0.04 1.67 2.24 1a49C1 ARG 1654 HG3 0.03 -0.13 -0.10 -0.04 1.67 1.43 1a49C1 ARG 1654 HD2 0.04 -0.12 -0.03 -0.04 3.22 3.08 1a49C1 ARG 1654 HD3 0.04 -0.01 -0.03 -0.04 3.22 3.18 1a49C1 ASN 1655 H 0.07 0.13 -0.12 -0.55 8.53 8.07 1a49C1 ASN 1655 HA 0.13 0.18 0.96 -0.75 4.76 5.28 1a49C1 ASN 1655 HB2 0.06 -0.00 0.09 -0.04 2.88 2.99 1a49C1 ASN 1655 HB3 0.06 0.10 0.21 -0.04 2.79 3.13 1a49C1 ASN 1655 HD21 0.04 0.03 0.03 -0.04 7.03 7.09 1a49C1 ASN 1655 HD22 0.04 0.01 0.03 -0.04 7.74 7.79 1a49C1 HIS 1656 H 0.38 0.27 0.09 -0.55 8.41 8.60 1a49C1 HIS 1656 HA 0.07 0.13 0.25 -0.75 4.63 4.32 1a49C1 HIS 1656 HB2 0.05 -0.03 0.11 -0.04 3.26 3.35 1a49C1 HIS 1656 HB3 0.07 0.07 -0.02 -0.04 3.20 3.28 1a49C1 HIS 1656 HD2 0.06 0.03 -0.02 -0.04 6.97 7.00 1a49C1 HIS 1656 HE1 0.01 0.07 -0.05 -0.04 7.75 7.73 1a49C1 GLN 1657 H 0.13 0.10 -0.09 -0.55 8.47 8.07 1a49C1 GLN 1657 HA 0.10 0.11 0.35 -0.75 4.36 4.17 1a49C1 GLN 1657 HB2 0.06 0.00 0.10 -0.04 2.15 2.28 1a49C1 GLN 1657 HB3 0.06 0.03 0.01 -0.04 2.02 2.08 1a49C1 GLN 1657 HG2 0.06 0.07 -0.01 -0.04 2.40 2.48 1a49C1 GLN 1657 HG3 0.06 -0.05 0.14 -0.04 2.39 2.50 1a49C1 GLN 1657 HE21 0.02 0.02 -0.05 -0.04 6.97 6.91 1a49C1 GLN 1657 HE22 0.04 0.00 -0.04 -0.04 7.69 7.65 1a49C1 THR 1658 H 0.09 -0.00 -0.49 -0.55 8.28 7.33 1a49C1 THR 1658 HA 0.07 0.08 0.31 -0.75 4.39 4.11 1a49C1 THR 1658 HB 0.05 0.11 0.11 -0.04 4.32 4.55 1a49C1 THR 1658 HG23 0.01 -0.02 -0.38 -0.04 1.22 0.80 1a49C1 ALA 1659 H 0.06 0.47 -0.16 -0.55 8.40 8.22 1a49C1 ALA 1659 HA -0.02 0.03 0.30 -0.75 4.34 3.90 1a49C1 ALA 1659 HB3 0.00 0.03 -0.07 -0.04 1.41 1.33 1a49C1 ARG 1660 H 0.07 0.40 -0.29 -0.55 8.46 8.09 1a49C1 ARG 1660 HA 0.15 0.12 0.37 -0.75 4.34 4.23 1a49C1 ARG 1660 HB2 0.09 0.05 0.15 -0.04 1.90 2.15 1a49C1 ARG 1660 HB3 0.11 -0.13 -0.06 -0.04 1.80 1.68 1a49C1 ARG 1660 HG2 0.10 -0.03 -0.15 -0.04 1.67 1.55 1a49C1 ARG 1660 HG3 0.10 0.08 -0.05 -0.04 1.67 1.77 1a49C1 ARG 1660 HD2 0.08 -0.05 0.01 -0.04 3.22 3.22 1a49C1 ARG 1660 HD3 0.09 0.11 0.03 -0.04 3.22 3.40 1a49C1 GLN 1661 H 0.08 0.61 -0.01 -0.55 8.47 8.61 1a49C1 GLN 1661 HA 0.12 -0.04 0.33 -0.75 4.36 4.01 1a49C1 GLN 1661 HB2 0.13 0.09 0.08 -0.04 2.15 2.40 1a49C1 GLN 1661 HB3 0.15 -0.05 0.08 -0.04 2.02 2.16 1a49C1 GLN 1661 HG2 0.08 -0.12 0.04 -0.04 2.40 2.36 1a49C1 GLN 1661 HG3 0.08 0.26 0.17 -0.04 2.39 2.86 1a49C1 GLN 1661 HE21 0.05 0.26 0.17 -0.04 6.97 7.42 1a49C1 GLN 1661 HE22 0.05 0.05 0.23 -0.04 7.69 7.97 1a49C1 ALA 1662 H 0.01 0.32 -0.58 -0.55 8.40 7.59 1a49C1 ALA 1662 HA 0.17 -0.04 0.36 -0.75 4.34 4.07 1a49C1 ALA 1662 HB3 -0.09 0.06 -0.03 -0.04 1.41 1.31 1a49C1 HIS 1663 H -0.24 0.36 -0.32 -0.55 8.41 7.66 1a49C1 HIS 1663 HA -0.02 0.20 0.46 -0.75 4.63 4.52 1a49C1 HIS 1663 HB2 0.02 0.03 -0.00 -0.04 3.26 3.27 1a49C1 HIS 1663 HB3 -0.01 -0.16 -0.09 -0.04 3.20 2.90 1a49C1 HIS 1663 HD2 -0.13 0.06 0.08 -0.04 6.97 6.94 1a49C1 HIS 1663 HE1 -0.07 -0.08 -0.12 -0.04 7.75 7.44 1a49C1 LEU 1664 H 0.12 0.37 -0.53 -0.55 8.37 7.79 1a49C1 LEU 1664 HA -0.05 -0.11 0.23 -0.75 4.35 3.66 1a49C1 LEU 1664 HB2 0.01 0.59 0.15 -0.04 1.64 2.35 1a49C1 LEU 1664 HB3 -0.72 -0.01 -0.11 -0.04 1.64 0.76 1a49C1 LEU 1664 HG -0.19 -0.03 -0.11 -0.04 1.64 1.27 1a49C1 LEU 1664 HD13 0.01 -0.04 -0.18 -0.04 0.93 0.69 1a49C1 LEU 1664 HD23 0.05 -0.03 -0.06 -0.04 0.89 0.81 1a49C1 TYR 1665 H 0.23 0.37 -0.31 -0.55 8.29 8.03 1a49C1 TYR 1665 HA -0.03 -0.01 0.58 -0.75 4.56 4.34 1a49C1 TYR 1665 HB2 0.02 0.06 0.03 -0.04 3.06 3.13 1a49C1 TYR 1665 HB3 0.00 0.03 -0.03 -0.04 2.98 2.94 1a49C1 TYR 1665 HD2 -0.12 0.12 0.03 -0.04 7.15 7.14 1a49C1 TYR 1665 HE2 -0.26 0.06 -0.03 -0.04 6.85 6.58 1a49C1 ARG 1666 H 0.07 0.07 0.17 -0.55 8.46 8.21 1a49C1 ARG 1666 HA 0.06 0.18 0.47 -0.75 4.34 4.29 1a49C1 ARG 1666 HB2 0.04 -0.06 0.15 -0.04 1.90 1.99 1a49C1 ARG 1666 HB3 0.08 0.04 0.08 -0.04 1.80 1.97 1a49C1 ARG 1666 HG2 0.09 0.03 -0.16 -0.04 1.67 1.58 1a49C1 ARG 1666 HG3 0.08 0.04 -0.21 -0.04 1.67 1.54 1a49C1 ARG 1666 HD2 0.04 -0.06 -0.05 -0.04 3.22 3.10 1a49C1 ARG 1666 HD3 0.03 0.04 -0.02 -0.04 3.22 3.22 1a49C1 GLY 1667 H 0.07 0.70 0.31 -0.55 8.43 8.96 1a49C1 GLY 1667 HA2 0.24 -0.05 0.34 -0.51 4.01 4.02 1a49C1 GLY 1667 HA3 0.16 0.13 0.49 -0.51 4.01 4.29 1a49C1 ILE 1668 H 0.09 0.41 -0.32 -0.55 8.25 7.88 1a49C1 ILE 1668 HA 0.20 0.16 1.05 -0.75 4.18 4.83 1a49C1 ILE 1668 HB 0.07 0.20 0.02 -0.04 1.89 2.13 1a49C1 ILE 1668 HG12 0.10 -0.12 -0.15 -0.04 1.49 1.28 1a49C1 ILE 1668 HG13 0.13 0.11 -0.28 -0.04 1.21 1.13 1a49C1 ILE 1668 HG23 0.05 -0.06 -0.30 -0.04 0.93 0.58 1a49C1 ILE 1668 HD13 0.13 -0.02 -0.21 -0.04 0.88 0.74 1a49C1 PHE 1669 H 0.38 1.35 0.51 -0.55 8.34 10.02 1a49C1 PHE 1669 HA 0.07 0.25 0.97 -0.75 4.62 5.15 1a49C1 PHE 1669 HB2 0.11 -0.06 0.13 -0.04 3.15 3.28 1a49C1 PHE 1669 HB3 0.15 -0.00 -0.02 -0.04 3.06 3.15 1a49C1 PHE 1669 HD2 0.14 0.09 -0.15 -0.04 7.28 7.32 1a49C1 PHE 1669 HE2 0.13 -0.05 -0.13 -0.04 7.38 7.30 1a49C1 PHE 1669 HZ 0.01 -0.07 -0.36 -0.04 7.32 6.85 1a49C1 PRO 1670 HA 0.03 0.09 0.66 -0.51 4.44 4.71 1a49C1 PRO 1670 HB2 -0.04 -0.10 -0.05 -0.04 2.28 2.04 1a49C1 PRO 1670 HB3 -0.08 -0.10 0.09 -0.04 2.02 1.89 1a49C1 PRO 1670 HG2 -0.23 0.01 0.11 -0.04 2.03 1.88 1a49C1 PRO 1670 HG3 -0.58 0.05 0.06 -0.04 2.03 1.52 1a49C1 PRO 1670 HD2 -0.09 0.12 0.23 -0.04 3.68 3.90 1a49C1 PRO 1670 HD3 -0.23 0.32 -0.20 -0.04 3.65 3.50 1a49C1 VAL 1671 H 0.04 0.69 0.34 -0.55 8.24 8.76 1a49C1 VAL 1671 HA 0.06 0.27 0.95 -0.75 4.13 4.65 1a49C1 VAL 1671 HB 0.06 -0.12 -0.03 -0.04 2.12 1.98 1a49C1 VAL 1671 HG13 0.05 -0.01 -0.17 -0.04 0.97 0.80 1a49C1 VAL 1671 HG23 0.09 0.05 -0.21 -0.04 0.95 0.83 1a49C1 VAL 1672 H 0.07 0.30 0.11 -0.55 8.24 8.17 1a49C1 VAL 1672 HA -0.00 0.30 1.03 -0.75 4.13 4.70 1a49C1 VAL 1672 HB 0.00 0.05 0.08 -0.04 2.12 2.21 1a49C1 VAL 1672 HG13 -0.21 -0.04 -0.31 -0.04 0.97 0.37 1a49C1 VAL 1672 HG23 -0.14 -0.01 -0.16 -0.04 0.95 0.60 1a49C1 CYS 1673 H 0.02 0.63 0.25 -0.55 8.50 8.86 1a49C1 CYS 1673 HA 0.01 0.10 0.77 -0.75 4.58 4.71 1a49C1 CYS 1673 HB2 0.00 0.02 0.00 -0.04 2.97 2.95 1a49C1 CYS 1673 HB3 0.01 -0.03 -0.02 -0.04 2.97 2.89 1a49C1 LYS 1674 H 0.01 0.16 0.15 -0.55 8.42 8.19 1a49C1 LYS 1674 HA 0.05 0.17 0.69 -0.75 4.32 4.48 1a49C1 LYS 1674 HB2 -0.00 0.06 0.08 -0.04 1.87 1.96 1a49C1 LYS 1674 HB3 0.01 -0.02 0.01 -0.04 1.79 1.75 1a49C1 LYS 1674 HG2 0.03 -0.04 0.04 -0.04 1.46 1.45 1a49C1 LYS 1674 HG3 0.06 0.01 -0.08 -0.04 1.46 1.40 1a49C1 LYS 1674 HD2 -0.08 0.08 -0.03 -0.04 1.69 1.62 1a49C1 LYS 1674 HD3 -0.05 0.02 0.00 -0.04 1.68 1.61 1a49C1 LYS 1674 HE2 -0.06 -0.03 -0.01 -0.04 2.99 2.86 1a49C1 LYS 1674 HE3 0.02 -0.05 -0.04 -0.04 2.99 2.89 1a49C1 ASP 1675 H 0.01 -0.01 -0.10 -0.55 8.40 7.76 1a49C1 ASP 1675 HA 0.01 0.20 0.72 -0.75 4.63 4.81 1a49C1 ASP 1675 HB2 -0.00 0.07 -0.05 -0.04 2.71 2.69 1a49C1 ASP 1675 HB3 0.00 0.00 0.07 -0.04 2.70 2.74 1a49C1 PRO 1676 HA 0.02 0.04 0.33 -0.51 4.44 4.32 1a49C1 PRO 1676 HB2 0.01 0.10 -0.13 -0.04 2.28 2.21 1a49C1 PRO 1676 HB3 0.01 0.01 0.11 -0.04 2.02 2.11 1a49C1 PRO 1676 HG2 0.00 -0.00 -0.02 -0.04 2.03 1.97 1a49C1 PRO 1676 HG3 0.00 0.04 0.07 -0.04 2.03 2.10 1a49C1 PRO 1676 HD2 0.00 0.05 0.13 -0.04 3.68 3.82 1a49C1 PRO 1676 HD3 0.01 0.19 0.23 -0.04 3.65 4.04 1a49C1 VAL 1677 H 0.02 0.08 0.13 -0.55 8.24 7.93 1a49C1 VAL 1677 HA 0.03 0.12 0.54 -0.75 4.13 4.07 1a49C1 VAL 1677 HB 0.04 -0.03 0.06 -0.04 2.12 2.14 1a49C1 VAL 1677 HG13 0.08 0.04 -0.14 -0.04 0.97 0.91 1a49C1 VAL 1677 HG23 0.05 0.00 0.02 -0.04 0.95 0.98 1a49C1 GLN 1678 H 0.03 0.11 0.11 -0.55 8.47 8.17 1a49C1 GLN 1678 HA 0.01 0.11 0.43 -0.75 4.36 4.16 1a49C1 GLN 1678 HB2 0.00 -0.02 0.04 -0.04 2.15 2.14 1a49C1 GLN 1678 HB3 0.02 -0.07 -0.20 -0.04 2.02 1.72 1a49C1 GLN 1678 HG2 -0.02 0.09 -0.16 -0.04 2.40 2.26 1a49C1 GLN 1678 HG3 -0.01 -0.07 -0.12 -0.04 2.39 2.15 1a49C1 GLN 1678 HE21 -0.00 0.03 -0.17 -0.04 6.97 6.79 1a49C1 GLN 1678 HE22 -0.01 0.07 -0.14 -0.04 7.69 7.56 1a49C1 GLU 1679 H 0.02 0.14 0.14 -0.55 8.60 8.35 1a49C1 GLU 1679 HA 0.03 0.16 0.50 -0.75 4.29 4.23 1a49C1 GLU 1679 HB2 0.01 0.02 0.08 -0.04 2.09 2.17 1a49C1 GLU 1679 HB3 0.01 0.06 0.11 -0.04 1.99 2.14 1a49C1 GLU 1679 HG2 0.01 0.05 0.10 -0.04 2.34 2.46 1a49C1 GLU 1679 HG3 0.01 -0.26 0.15 -0.04 2.34 2.21 1a49C1 ALA 1680 H 0.03 0.06 -0.08 -0.55 8.40 7.86 1a49C1 ALA 1680 HA 0.06 0.20 0.77 -0.75 4.34 4.62 1a49C1 ALA 1680 HB3 0.01 0.02 0.07 -0.04 1.41 1.47 1a49C1 TRP 1681 H 0.21 0.32 0.16 -0.55 7.97 8.12 1a49C1 TRP 1681 HA -0.07 0.09 0.26 -0.75 4.62 4.15 1a49C1 TRP 1681 HB2 -0.09 0.08 0.17 -0.04 3.23 3.35 1a49C1 TRP 1681 HB3 -0.14 -0.05 0.14 -0.04 3.23 3.14 1a49C1 TRP 1681 HD1 -0.29 0.04 0.01 -0.04 7.22 6.94 1a49C1 TRP 1681 HE1 -0.18 0.29 -0.66 -0.04 10.20 9.61 1a49C1 TRP 1681 HE3 -0.05 0.03 0.00 -0.04 7.59 7.52 1a49C1 TRP 1681 HZ2 -0.06 0.03 -0.31 -0.04 7.44 7.06 1a49C1 TRP 1681 HZ3 -0.03 0.02 -0.01 -0.04 7.13 7.07 1a49C1 TRP 1681 HH2 -0.03 -0.07 -0.00 -0.04 7.19 7.04 1a49C1 ALA 1682 H 0.07 0.12 -0.15 -0.55 8.40 7.89 1a49C1 ALA 1682 HA -0.24 0.11 0.37 -0.75 4.34 3.83 1a49C1 ALA 1682 HB3 -0.08 0.03 0.06 -0.04 1.41 1.38 1a49C1 GLU 1683 H -0.04 0.19 -0.12 -0.55 8.60 8.08 1a49C1 GLU 1683 HA -0.07 0.08 0.44 -0.75 4.29 3.98 1a49C1 GLU 1683 HB2 -0.03 0.00 0.05 -0.04 2.09 2.08 1a49C1 GLU 1683 HB3 -0.03 0.03 0.05 -0.04 1.99 1.99 1a49C1 GLU 1683 HG2 -0.03 0.03 0.04 -0.04 2.34 2.34 1a49C1 GLU 1683 HG3 -0.02 -0.06 0.10 -0.04 2.34 2.32 1a49C1 ASP 1684 H -0.07 0.51 -0.17 -0.55 8.40 8.13 1a49C1 ASP 1684 HA -0.08 0.04 0.45 -0.75 4.63 4.29 1a49C1 ASP 1684 HB2 0.00 -0.10 -0.03 -0.04 2.71 2.55 1a49C1 ASP 1684 HB3 -0.11 0.13 -0.01 -0.04 2.70 2.66 1a49C1 VAL 1685 H -0.35 0.59 -0.20 -0.55 8.24 7.73 1a49C1 VAL 1685 HA -0.41 0.03 0.55 -0.75 4.13 3.55 1a49C1 VAL 1685 HB -0.49 0.08 0.16 -0.04 2.12 1.83 1a49C1 VAL 1685 HG13 -0.30 -0.00 -0.18 -0.04 0.97 0.45 1a49C1 VAL 1685 HG23 -1.30 0.01 -0.05 -0.04 0.95 -0.44 1a49C1 ASP 1686 H -0.19 0.67 0.01 -0.55 8.40 8.34 1a49C1 ASP 1686 HA -0.11 0.03 0.29 -0.75 4.63 4.09 1a49C1 ASP 1686 HB2 -0.11 0.18 0.26 -0.04 2.71 3.00 1a49C1 ASP 1686 HB3 -0.07 0.01 -0.03 -0.04 2.70 2.56 1a49C1 LEU 1687 H -0.10 0.71 -0.19 -0.55 8.37 8.23 1a49C1 LEU 1687 HA -0.05 0.02 0.38 -0.75 4.35 3.95 1a49C1 LEU 1687 HB2 -0.04 -0.04 0.08 -0.04 1.64 1.59 1a49C1 LEU 1687 HB3 -0.07 0.15 0.19 -0.04 1.64 1.87 1a49C1 LEU 1687 HG -0.04 0.05 -0.28 -0.04 1.64 1.33 1a49C1 LEU 1687 HD13 -0.02 -0.02 -0.06 -0.04 0.93 0.79 1a49C1 LEU 1687 HD23 -0.03 -0.00 -0.01 -0.04 0.89 0.81 1a49C1 ARG 1688 H -0.10 0.40 -0.28 -0.55 8.46 7.93 1a49C1 ARG 1688 HA -0.04 -0.01 0.29 -0.75 4.34 3.83 1a49C1 ARG 1688 HB2 -0.12 0.13 0.15 -0.04 1.90 2.01 1a49C1 ARG 1688 HB3 -0.06 -0.04 0.03 -0.04 1.80 1.69 1a49C1 ARG 1688 HG2 -0.04 -0.06 0.00 -0.04 1.67 1.53 1a49C1 ARG 1688 HG3 -0.08 0.12 0.11 -0.04 1.67 1.79 1a49C1 ARG 1688 HD2 -0.07 -0.04 -0.06 -0.04 3.22 3.01 1a49C1 ARG 1688 HD3 -0.04 -0.03 -0.05 -0.04 3.22 3.06 1a49C1 VAL 1689 H -0.09 0.55 -0.34 -0.55 8.24 7.82 1a49C1 VAL 1689 HA -0.03 -0.01 0.30 -0.75 4.13 3.64 1a49C1 VAL 1689 HB -0.07 0.15 0.09 -0.04 2.12 2.25 1a49C1 VAL 1689 HG13 -0.05 -0.02 -0.09 -0.04 0.97 0.77 1a49C1 VAL 1689 HG23 -0.10 0.10 -0.07 -0.04 0.95 0.84 1a49C1 ASN 1690 H -0.04 0.46 -0.36 -0.55 8.53 8.04 1a49C1 ASN 1690 HA -0.01 -0.02 0.41 -0.75 4.76 4.39 1a49C1 ASN 1690 HB2 -0.02 0.18 0.29 -0.04 2.88 3.29 1a49C1 ASN 1690 HB3 -0.01 -0.10 0.07 -0.04 2.79 2.71 1a49C1 ASN 1690 HD21 -0.04 -0.05 -0.06 -0.04 7.03 6.84 1a49C1 ASN 1690 HD22 -0.02 -0.02 -0.05 -0.04 7.74 7.60 1a49C1 LEU 1691 H -0.01 0.58 -0.09 -0.55 8.37 8.31 1a49C1 LEU 1691 HA 0.01 -0.04 0.25 -0.75 4.35 3.82 1a49C1 LEU 1691 HB2 0.00 -0.09 0.04 -0.04 1.64 1.55 1a49C1 LEU 1691 HB3 0.00 0.29 0.18 -0.04 1.64 2.07 1a49C1 LEU 1691 HG 0.03 0.05 -0.39 -0.04 1.64 1.29 1a49C1 LEU 1691 HD13 0.02 -0.01 -0.03 -0.04 0.93 0.87 1a49C1 LEU 1691 HD23 0.02 -0.01 -0.19 -0.04 0.89 0.66 1a49C1 ALA 1692 H 0.03 0.49 -0.14 -0.55 8.40 8.23 1a49C1 ALA 1692 HA 0.08 0.06 0.39 -0.75 4.34 4.12 1a49C1 ALA 1692 HB3 0.08 0.03 0.07 -0.04 1.41 1.55 1a49C1 MET 1693 H 0.07 0.55 -0.17 -0.55 8.47 8.37 1a49C1 MET 1693 HA 0.31 -0.01 0.24 -0.75 4.52 4.30 1a49C1 MET 1693 HB2 0.03 0.18 0.18 -0.04 2.15 2.50 1a49C1 MET 1693 HB3 0.06 -0.04 -0.02 -0.04 2.03 1.98 1a49C1 MET 1693 HG2 -0.02 -0.09 0.01 -0.04 2.63 2.49 1a49C1 MET 1693 HG3 -0.01 -0.03 0.00 -0.04 2.56 2.48 1a49C1 MET 1693 HE3 -0.47 0.00 -0.22 -0.04 2.10 1.37 1a49C1 ASN 1694 H 0.06 0.57 -0.17 -0.55 8.53 8.45 1a49C1 ASN 1694 HA 0.05 -0.01 0.47 -0.75 4.76 4.52 1a49C1 ASN 1694 HB2 0.02 0.12 0.11 -0.04 2.88 3.09 1a49C1 ASN 1694 HB3 0.01 -0.08 0.04 -0.04 2.79 2.73 1a49C1 ASN 1694 HD21 0.01 -0.12 -0.18 -0.04 7.03 6.70 1a49C1 ASN 1694 HD22 0.01 -0.02 -0.11 -0.04 7.74 7.59 1a49C1 VAL 1695 H 0.04 0.63 -0.03 -0.55 8.24 8.33 1a49C1 VAL 1695 HA -0.05 -0.00 0.43 -0.75 4.13 3.75 1a49C1 VAL 1695 HB 0.03 0.02 0.21 -0.04 2.12 2.34 1a49C1 VAL 1695 HG13 -0.03 0.03 -0.11 -0.04 0.97 0.82 1a49C1 VAL 1695 HG23 0.02 -0.00 0.13 -0.04 0.95 1.06 1a49C1 GLY 1696 H 0.03 0.93 -0.03 -0.55 8.43 8.82 1a49C1 GLY 1696 HA2 -0.45 0.06 0.36 -0.51 4.01 3.46 1a49C1 GLY 1696 HA3 -0.69 0.03 0.22 -0.51 4.01 3.06 1a49C1 LYS 1697 H -0.04 0.49 -0.35 -0.55 8.42 7.97 1a49C1 LYS 1697 HA -0.09 0.19 0.56 -0.75 4.32 4.22 1a49C1 LYS 1697 HB2 0.04 0.15 0.26 -0.04 1.87 2.27 1a49C1 LYS 1697 HB3 0.02 -0.09 -0.01 -0.04 1.79 1.67 1a49C1 LYS 1697 HG2 0.17 -0.05 -0.05 -0.04 1.46 1.49 1a49C1 LYS 1697 HG3 0.38 0.06 -0.01 -0.04 1.46 1.86 1a49C1 LYS 1697 HD2 0.12 -0.06 -0.18 -0.04 1.69 1.52 1a49C1 LYS 1697 HD3 0.07 -0.02 -0.05 -0.04 1.68 1.63 1a49C1 LYS 1697 HE2 0.05 0.00 -0.06 -0.04 2.99 2.94 1a49C1 LYS 1697 HE3 0.08 -0.01 -0.18 -0.04 2.99 2.84 1a49C1 ALA 1698 H -0.10 0.69 0.08 -0.55 8.40 8.53 1a49C1 ALA 1698 HA -0.09 -0.03 0.51 -0.75 4.34 3.99 1a49C1 ALA 1698 HB3 -0.06 -0.02 0.08 -0.04 1.41 1.36 1a49C1 ARG 1699 H -0.38 0.45 -0.26 -0.55 8.46 7.72 1a49C1 ARG 1699 HA -0.30 0.09 0.62 -0.75 4.34 4.00 1a49C1 ARG 1699 HB2 -1.03 0.03 0.07 -0.04 1.90 0.92 1a49C1 ARG 1699 HB3 -1.41 -0.04 -0.02 -0.04 1.80 0.28 1a49C1 ARG 1699 HG2 -0.27 0.08 -0.03 -0.04 1.67 1.41 1a49C1 ARG 1699 HG3 -0.32 -0.03 -0.04 -0.04 1.67 1.25 1a49C1 ARG 1699 HD2 -0.20 -0.02 0.04 -0.04 3.22 2.99 1a49C1 ARG 1699 HD3 -0.18 -0.00 -0.09 -0.04 3.22 2.90 1a49C1 GLY 1700 H -0.34 0.17 -0.50 -0.55 8.43 7.21 1a49C1 GLY 1700 HA2 -0.13 0.09 0.31 -0.51 4.01 3.76 1a49C1 GLY 1700 HA3 -0.11 0.01 0.44 -0.51 4.01 3.84 1a49C1 PHE 1701 H -0.47 1.02 0.29 -0.55 8.34 8.63 1a49C1 PHE 1701 HA -0.21 0.05 0.62 -0.75 4.62 4.32 1a49C1 PHE 1701 HB2 -0.96 -0.04 0.16 -0.04 3.15 2.27 1a49C1 PHE 1701 HB3 -0.47 0.03 0.01 -0.04 3.06 2.59 1a49C1 PHE 1701 HD2 -0.29 0.00 -0.18 -0.04 7.28 6.77 1a49C1 PHE 1701 HE2 -0.30 0.02 -0.19 -0.04 7.38 6.87 1a49C1 PHE 1701 HZ -0.07 0.02 -0.06 -0.04 7.32 7.16 1a49C1 PHE 1702 H -0.40 0.29 0.03 -0.55 8.34 7.70 1a49C1 PHE 1702 HA 0.04 0.13 0.55 -0.75 4.62 4.59 1a49C1 PHE 1702 HB2 0.02 -0.01 0.05 -0.04 3.15 3.16 1a49C1 PHE 1702 HB3 0.03 0.12 -0.02 -0.04 3.06 3.15 1a49C1 PHE 1702 HD2 0.02 0.09 -0.39 -0.04 7.28 6.96 1a49C1 PHE 1702 HE2 0.03 0.12 -0.13 -0.04 7.38 7.36 1a49C1 PHE 1702 HZ 0.04 -0.02 -0.23 -0.04 7.32 7.07 1a49C1 LYS 1703 H 0.19 0.15 0.09 -0.55 8.42 8.30 1a49C1 LYS 1703 HA 0.12 0.20 0.82 -0.75 4.32 4.71 1a49C1 LYS 1703 HB2 0.05 -0.11 0.17 -0.04 1.87 1.94 1a49C1 LYS 1703 HB3 0.06 0.06 -0.09 -0.04 1.79 1.78 1a49C1 LYS 1703 HG2 0.07 -0.06 -0.04 -0.04 1.46 1.39 1a49C1 LYS 1703 HG3 0.05 0.26 -0.15 -0.04 1.46 1.57 1a49C1 LYS 1703 HD2 0.03 -0.05 -0.01 -0.04 1.69 1.63 1a49C1 LYS 1703 HD3 0.04 0.01 -0.04 -0.04 1.68 1.65 1a49C1 LYS 1703 HE2 0.03 0.02 -0.05 -0.04 2.99 2.95 1a49C1 LYS 1703 HE3 0.02 0.02 -0.02 -0.04 2.99 2.97 1a49C1 LYS 1704 H 0.05 0.10 0.11 -0.55 8.42 8.13 1a49C1 LYS 1704 HA 0.02 0.10 0.35 -0.75 4.32 4.03 1a49C1 LYS 1704 HB2 0.02 -0.01 0.09 -0.04 1.87 1.93 1a49C1 LYS 1704 HB3 0.01 -0.06 0.05 -0.04 1.79 1.75 1a49C1 LYS 1704 HG2 -0.00 -0.08 0.01 -0.04 1.46 1.35 1a49C1 LYS 1704 HG3 -0.00 0.21 0.10 -0.04 1.46 1.73 1a49C1 LYS 1704 HD2 0.00 0.09 0.03 -0.04 1.69 1.77 1a49C1 LYS 1704 HD3 0.01 -0.09 0.01 -0.04 1.68 1.57 1a49C1 LYS 1704 HE2 0.00 -0.02 -0.01 -0.04 2.99 2.92 1a49C1 LYS 1704 HE3 -0.00 -0.03 0.01 -0.04 2.99 2.93 1a49C1 GLY 1705 H -0.02 0.62 0.32 -0.55 8.43 8.81 1a49C1 GLY 1705 HA2 -0.02 -0.01 0.39 -0.51 4.01 3.86 1a49C1 GLY 1705 HA3 -0.00 0.06 0.44 -0.51 4.01 4.00 1a49C1 ASP 1706 H -0.02 0.18 -0.21 -0.55 8.40 7.80 1a49C1 ASP 1706 HA -0.01 0.19 0.76 -0.75 4.63 4.82 1a49C1 ASP 1706 HB2 0.00 0.08 0.11 -0.04 2.71 2.86 1a49C1 ASP 1706 HB3 0.02 0.07 0.16 -0.04 2.70 2.90 1a49C1 VAL 1707 H -0.03 0.24 0.25 -0.55 8.24 8.14 1a49C1 VAL 1707 HA -0.09 0.39 1.25 -0.75 4.13 4.92 1a49C1 VAL 1707 HB -0.03 0.09 0.07 -0.04 2.12 2.21 1a49C1 VAL 1707 HG13 -0.05 -0.01 -0.11 -0.04 0.97 0.76 1a49C1 VAL 1707 HG23 -0.03 0.00 -0.12 -0.04 0.95 0.76 1a49C1 VAL 1708 H -0.10 0.82 0.45 -0.55 8.24 8.86 1a49C1 VAL 1708 HA -0.09 0.15 1.04 -0.75 4.13 4.48 1a49C1 VAL 1708 HB -0.23 0.02 -0.20 -0.04 2.12 1.67 1a49C1 VAL 1708 HG13 -0.10 -0.01 -0.40 -0.04 0.97 0.42 1a49C1 VAL 1708 HG23 -0.40 0.01 -0.29 -0.04 0.95 0.23 1a49C1 ILE 1709 H -0.04 0.66 0.39 -0.55 8.25 8.70 1a49C1 ILE 1709 HA -0.04 0.23 1.03 -0.75 4.18 4.65 1a49C1 ILE 1709 HB -0.03 -0.03 0.15 -0.04 1.89 1.94 1a49C1 ILE 1709 HG12 -0.04 0.01 -0.01 -0.04 1.49 1.40 1a49C1 ILE 1709 HG13 -0.06 0.07 -0.04 -0.04 1.21 1.14 1a49C1 ILE 1709 HG23 -0.02 -0.00 -0.08 -0.04 0.93 0.78 1a49C1 ILE 1709 HD13 -0.04 0.01 -0.22 -0.04 0.88 0.59 1a49C1 VAL 1710 H -0.02 0.60 0.36 -0.55 8.24 8.63 1a49C1 VAL 1710 HA -0.02 0.21 1.12 -0.75 4.13 4.70 1a49C1 VAL 1710 HB -0.02 -0.05 0.08 -0.04 2.12 2.08 1a49C1 VAL 1710 HG13 -0.04 -0.01 -0.19 -0.04 0.97 0.70 1a49C1 VAL 1710 HG23 -0.05 0.03 -0.28 -0.04 0.95 0.61 1a49C1 LEU 1711 H -0.00 0.75 0.37 -0.55 8.37 8.94 1a49C1 LEU 1711 HA 0.02 0.34 1.10 -0.75 4.35 5.06 1a49C1 LEU 1711 HB2 0.02 0.15 0.18 -0.04 1.64 1.95 1a49C1 LEU 1711 HB3 0.03 -0.13 -0.00 -0.04 1.64 1.50 1a49C1 LEU 1711 HG 0.02 -0.04 -0.29 -0.04 1.64 1.29 1a49C1 LEU 1711 HD13 0.03 0.01 -0.17 -0.04 0.93 0.77 1a49C1 LEU 1711 HD23 0.05 0.04 -0.15 -0.04 0.89 0.79 1a49C1 THR 1712 H 0.03 0.97 0.42 -0.55 8.28 9.14 1a49C1 THR 1712 HA -0.02 0.13 0.92 -0.75 4.39 4.67 1a49C1 THR 1712 HB -0.10 -0.03 0.09 -0.04 4.32 4.24 1a49C1 THR 1712 HG23 -0.09 -0.00 -0.29 -0.04 1.22 0.79 1a49C1 GLY 1713 H 0.05 0.20 0.18 -0.55 8.43 8.32 1a49C1 GLY 1713 HA2 0.03 -0.09 1.01 -0.51 4.01 4.45 1a49C1 GLY 1713 HA3 0.18 0.06 0.38 -0.51 4.01 4.12 1a49C1 TRP 1714 H 0.25 0.11 0.19 -0.55 7.97 7.98 1a49C1 TRP 1714 HA 0.14 0.11 0.52 -0.75 4.62 4.63 1a49C1 TRP 1714 HB2 -0.01 0.03 0.10 -0.04 3.23 3.30 1a49C1 TRP 1714 HB3 -0.01 -0.03 0.13 -0.04 3.23 3.28 1a49C1 TRP 1714 HD1 -0.00 -0.01 -0.10 -0.04 7.22 7.07 1a49C1 TRP 1714 HE1 0.01 -0.01 -0.02 -0.04 10.20 10.14 1a49C1 TRP 1714 HE3 0.02 -0.02 -0.06 -0.04 7.59 7.49 1a49C1 TRP 1714 HZ2 0.02 -0.01 -0.00 -0.04 7.44 7.41 1a49C1 TRP 1714 HZ3 0.01 0.03 -0.04 -0.04 7.13 7.09 1a49C1 TRP 1714 HH2 0.01 0.01 -0.01 -0.04 7.19 7.16 1a49C1 ARG 1715 H 0.17 0.06 0.04 -0.55 8.46 8.17 1a49C1 ARG 1715 HA -0.48 0.34 1.19 -0.75 4.34 4.63 1a49C1 ARG 1715 HB2 -0.07 -0.02 0.02 -0.04 1.90 1.79 1a49C1 ARG 1715 HB3 -0.34 0.09 0.14 -0.04 1.80 1.65 1a49C1 ARG 1715 HG2 -0.22 0.02 -0.01 -0.04 1.67 1.42 1a49C1 ARG 1715 HG3 0.00 -0.09 -0.54 -0.04 1.67 0.99 1a49C1 ARG 1715 HD2 0.03 0.03 -0.02 -0.04 3.22 3.21 1a49C1 ARG 1715 HD3 0.01 -0.01 -0.01 -0.04 3.22 3.17 1a49C1 PRO 1716 HA -1.77 0.02 0.54 -0.51 4.44 2.73 1a49C1 PRO 1716 HB2 -0.64 0.06 0.01 -0.04 2.28 1.68 1a49C1 PRO 1716 HB3 -1.46 0.03 0.11 -0.04 2.02 0.66 1a49C1 PRO 1716 HG2 -0.63 0.07 0.10 -0.04 2.03 1.53 1a49C1 PRO 1716 HG3 -1.38 -0.00 0.10 -0.04 2.03 0.71 1a49C1 PRO 1716 HD2 -0.66 0.13 0.21 -0.04 3.68 3.32 1a49C1 PRO 1716 HD3 -1.49 0.17 0.22 -0.04 3.65 2.51 1a49C1 GLY 1717 H -0.15 0.08 0.17 -0.55 8.43 7.98 1a49C1 GLY 1717 HA2 -0.03 -0.04 0.35 -0.51 4.01 3.79 1a49C1 GLY 1717 HA3 -0.10 0.12 0.38 -0.51 4.01 3.91 1a49C1 SER 1718 H 0.01 0.10 0.00 -0.55 8.46 8.02 1a49C1 SER 1718 HA -0.02 0.21 0.54 -0.75 4.49 4.47 1a49C1 SER 1718 HB2 0.03 0.08 0.19 -0.04 3.95 4.21 1a49C1 SER 1718 HB3 -0.21 0.13 0.25 -0.04 3.93 4.07 1a49C1 GLY 1719 H 0.05 -0.01 -0.38 -0.55 8.43 7.55 1a49C1 GLY 1719 HA2 0.11 -0.02 0.29 -0.51 4.01 3.88 1a49C1 GLY 1719 HA3 0.18 0.14 0.35 -0.51 4.01 4.18 1a49C1 PHE 1720 H 0.01 0.12 -1.04 -0.55 8.34 6.88 1a49C1 PHE 1720 HA 0.04 -0.05 0.25 -0.75 4.62 4.11 1a49C1 PHE 1720 HB2 0.03 -0.05 0.12 -0.04 3.15 3.21 1a49C1 PHE 1720 HB3 0.03 0.24 -0.03 -0.04 3.06 3.25 1a49C1 PHE 1720 HD2 0.03 0.13 -0.25 -0.04 7.28 7.16 1a49C1 PHE 1720 HE2 0.02 0.06 -0.06 -0.04 7.38 7.36 1a49C1 PHE 1720 HZ 0.02 0.02 -0.04 -0.04 7.32 7.28 1a49C1 THR 1721 H 0.20 0.17 0.03 -0.55 8.28 8.13 1a49C1 THR 1721 HA -0.06 0.02 0.38 -0.75 4.39 3.98 1a49C1 THR 1721 HB 0.03 0.08 -0.15 -0.04 4.32 4.25 1a49C1 THR 1721 HG23 0.04 -0.03 -0.12 -0.04 1.22 1.07 1a49C1 ASN 1722 H -0.22 0.10 0.35 -0.55 8.53 8.20 1a49C1 ASN 1722 HA 0.08 0.19 0.78 -0.75 4.76 5.06 1a49C1 ASN 1722 HB2 -0.08 0.02 0.16 -0.04 2.88 2.95 1a49C1 ASN 1722 HB3 -0.95 0.02 0.02 -0.04 2.79 1.84 1a49C1 ASN 1722 HD21 0.03 -0.16 0.13 -0.04 7.03 6.99 1a49C1 ASN 1722 HD22 -0.11 0.08 0.06 -0.04 7.74 7.73 1a49C1 THR 1723 H 0.03 0.69 0.26 -0.55 8.28 8.71 1a49C1 THR 1723 HA 0.07 0.18 1.01 -0.75 4.39 4.90 1a49C1 THR 1723 HB 0.17 -0.05 -0.15 -0.04 4.32 4.25 1a49C1 THR 1723 HG23 0.28 0.03 -0.06 -0.04 1.22 1.43 1a49C1 MET 1724 H 0.04 0.24 0.16 -0.55 8.47 8.37 1a49C1 MET 1724 HA 0.02 0.45 1.03 -0.75 4.52 5.28 1a49C1 MET 1724 HB2 0.03 -0.02 -0.13 -0.04 2.15 1.99 1a49C1 MET 1724 HB3 0.02 -0.02 0.03 -0.04 2.03 2.01 1a49C1 MET 1724 HG2 0.00 0.02 -0.01 -0.04 2.63 2.60 1a49C1 MET 1724 HG3 0.00 0.02 -0.10 -0.04 2.56 2.44 1a49C1 MET 1724 HE3 -0.02 0.02 -0.18 -0.04 2.10 1.88 1a49C1 ARG 1725 H 0.00 0.42 0.33 -0.55 8.46 8.66 1a49C1 ARG 1725 HA 0.01 0.10 0.84 -0.75 4.34 4.53 1a49C1 ARG 1725 HB2 0.01 -0.00 -0.07 -0.04 1.90 1.80 1a49C1 ARG 1725 HB3 -0.01 0.04 -0.33 -0.04 1.80 1.46 1a49C1 ARG 1725 HG2 0.02 0.04 0.00 -0.04 1.67 1.69 1a49C1 ARG 1725 HG3 0.05 -0.02 -0.14 -0.04 1.67 1.52 1a49C1 ARG 1725 HD2 -0.01 0.06 -0.13 -0.04 3.22 3.10 1a49C1 ARG 1725 HD3 0.02 -0.03 -0.07 -0.04 3.22 3.10 1a49C1 VAL 1726 H -0.01 0.16 0.16 -0.55 8.24 8.00 1a49C1 VAL 1726 HA -0.03 0.30 0.93 -0.75 4.13 4.57 1a49C1 VAL 1726 HB -0.02 -0.03 0.01 -0.04 2.12 2.03 1a49C1 VAL 1726 HG13 -0.02 -0.01 0.10 -0.04 0.97 1.00 1a49C1 VAL 1726 HG23 -0.03 0.02 -0.04 -0.04 0.95 0.86 1a49C1 VAL 1727 H -0.06 0.86 0.43 -0.55 8.24 8.92 1a49C1 VAL 1727 HA -0.04 0.16 0.86 -0.75 4.13 4.35 1a49C1 VAL 1727 HB -0.08 -0.03 -0.09 -0.04 2.12 1.88 1a49C1 VAL 1727 HG13 -0.07 0.05 -0.05 -0.04 0.97 0.86 1a49C1 VAL 1727 HG23 -0.04 -0.01 -0.38 -0.04 0.95 0.48 1a49C1 PRO 1728 HA -0.08 0.47 0.82 -0.51 4.44 5.14 1a49C1 PRO 1728 HB2 -0.04 0.05 -0.07 -0.04 2.28 2.17 1a49C1 PRO 1728 HB3 -0.04 0.04 0.02 -0.04 2.02 2.01 1a49C1 PRO 1728 HG2 -0.03 -0.02 0.03 -0.04 2.03 1.97 1a49C1 PRO 1728 HG3 -0.03 0.02 0.03 -0.04 2.03 2.01 1a49C1 PRO 1728 HD2 -0.05 0.05 0.21 -0.04 3.68 3.86 1a49C1 PRO 1728 HD3 -0.04 0.16 0.16 -0.04 3.65 3.88 1a49C1 VAL 1729 H -0.12 0.64 0.29 -0.55 8.24 8.51 1a49C1 VAL 1729 HA -0.16 0.14 0.65 -0.75 4.13 4.01 1a49C1 VAL 1729 HB -0.09 0.08 0.19 -0.04 2.12 2.26 1a49C1 VAL 1729 HG13 0.01 -0.02 -0.23 -0.04 0.97 0.69 1a49C1 VAL 1729 HG23 -0.68 0.02 -0.19 -0.04 0.95 0.05 1a49C1 PRO 1730 HA -0.02 0.19 0.58 -0.51 4.44 4.68 1a49C1 PRO 1730 HB2 -0.01 0.00 0.04 -0.04 2.28 2.28 1a49C1 PRO 1730 HB3 -0.02 0.02 0.00 -0.04 2.02 1.98 1a49C1 PRO 1730 HG2 -0.03 0.01 0.02 -0.04 2.03 1.99 1a49C1 PRO 1730 HG3 -0.04 0.06 -0.03 -0.04 2.03 1.98 1a49C1 PRO 1730 HD2 -0.08 0.09 0.18 -0.04 3.68 3.83 1a49C1 PRO 1730 HD3 -0.08 0.87 0.34 -0.04 3.65 4.73