============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 94 rings ring int. center anis. iso. HIS 1 0.900 5.357 49.298 67.614 -99.200 -91.000 HIS 2 0.900 7.616 45.674 60.750 -99.200 -91.000 PHE 20 1.000 3.775 55.282 57.520 -99.200 -91.000 TYR 23 0.840 -1.127 41.907 62.283 -99.200 -91.000 PHE 32 1.000 -2.754 25.771 62.412 -99.200 -91.000 TYR 33 0.840 -9.507 28.828 57.938 -99.200 -91.000 PHE 42 1.000 -12.336 17.243 59.305 -99.200 -91.000 HIS 58 0.900 13.955 11.478 75.669 -99.200 -91.000 TYR 59 0.840 7.964 6.293 78.960 -99.200 -91.000 HIS 63 0.900 11.265 4.772 79.499 -99.200 -91.000 PHE 64 1.000 7.625 0.931 76.105 -99.200 -91.000 TRP 68 1.040 13.027 0.991 71.359 -99.200 -91.000 TRP6 68 1.020 12.274 1.852 69.290 -99.200 -91.000 PHE 76 1.000 10.469 -3.393 55.695 -99.200 -91.000 TYR 84 0.840 8.786 8.937 63.306 -99.200 -91.000 TYR 91 0.840 7.544 19.502 59.903 -99.200 -91.000 TYR 99 0.840 12.494 35.266 57.323 -99.200 -91.000 HIS 102 0.900 23.276 43.372 58.550 -99.200 -91.000 TYR 103 0.840 18.900 42.096 53.788 -99.200 -91.000 TYR 105 0.840 13.400 42.892 53.724 -99.200 -91.000 TRP 108 1.040 19.990 37.053 44.471 -99.200 -91.000 TRP6 108 1.020 18.875 35.098 43.743 -99.200 -91.000 PHE 111 1.000 19.741 31.691 47.110 -99.200 -91.000 TYR 116 0.840 24.419 38.913 55.904 -99.200 -91.000 TYR 117 0.840 27.251 31.802 61.858 -99.200 -91.000 PHE 156 1.000 31.969 18.104 86.678 -99.200 -91.000 PHE 167 1.000 29.161 14.333 73.454 -99.200 -91.000 PHE 169 1.000 38.945 18.598 75.080 -99.200 -91.000 PHE 170 1.000 33.508 13.482 66.767 -99.200 -91.000 HIS 173 0.900 38.856 18.278 65.150 -99.200 -91.000 PHE 174 1.000 30.338 17.378 63.239 -99.200 -91.000 HIS 176 0.900 34.942 25.672 67.813 -99.200 -91.000 PHE 178 1.000 28.881 22.270 62.027 -99.200 -91.000 PHE 179 1.000 27.741 25.749 65.049 -99.200 -91.000 HIS 183 0.900 34.347 36.477 66.972 -99.200 -91.000 PHE 189 1.000 27.949 39.835 58.556 -99.200 -91.000 HIS 195 0.900 26.812 28.951 55.295 -99.200 -91.000 HIS 201 0.900 37.102 19.715 60.964 -99.200 -91.000 TYR 203 0.840 41.046 17.242 54.088 -99.200 -91.000 HIS 211 0.900 46.751 23.712 46.083 -99.200 -91.000 PHE 216 1.000 50.461 20.223 46.510 -99.200 -91.000 TYR 223 0.840 54.363 12.596 57.662 -99.200 -91.000 TYR 231 0.840 52.686 14.283 68.055 -99.200 -91.000 TYR 244 0.840 49.811 27.518 67.972 -99.200 -91.000 HIS 247 0.900 53.292 32.062 76.051 -99.200 -91.000 PHE 254 1.000 52.218 20.126 67.315 -99.200 -91.000 PHE 261 1.000 40.044 22.730 65.207 -99.200 -91.000 TYR 270 0.840 38.505 13.908 69.032 -99.200 -91.000 TRP 274 1.040 39.021 13.607 62.623 -99.200 -91.000 TRP6 274 1.020 37.735 12.088 61.334 -99.200 -91.000 HIS 278 0.900 44.121 13.211 53.357 -99.200 -91.000 HIS 289 0.900 41.764 3.087 42.384 -99.200 -91.000 TRP 292 1.040 43.121 6.646 40.930 -99.200 -91.000 TRP6 292 1.020 41.656 6.876 42.774 -99.200 -91.000 PHE 298 1.000 43.601 17.097 49.424 -99.200 -91.000 TYR 317 0.840 28.497 14.708 68.683 -99.200 -91.000 HIS 320 0.900 27.015 9.860 75.039 -99.200 -91.000 TYR 324 0.840 16.375 8.990 70.405 -99.200 -91.000 HIS 325 0.900 17.020 1.606 75.780 -99.200 -91.000 PHE 326 1.000 16.039 3.266 65.291 -99.200 -91.000 PHE 330 1.000 26.115 8.480 56.213 -99.200 -91.000 PHE 336 1.000 19.965 7.731 47.486 -99.200 -91.000 PHE 340 1.000 17.584 15.997 53.061 -99.200 -91.000 TYR 342 0.840 20.208 14.762 48.701 -99.200 -91.000 PHE 350 1.000 23.430 23.057 64.409 -99.200 -91.000 TYR 354 0.840 26.521 21.567 68.625 -99.200 -91.000 HIS 355 0.900 27.819 29.587 71.522 -99.200 -91.000 TRP 356 1.040 25.721 21.946 73.518 -99.200 -91.000 TRP6 356 1.020 25.892 19.903 72.340 -99.200 -91.000 HIS 357 0.900 31.319 27.687 75.834 -99.200 -91.000 PHE 364 1.000 40.234 20.903 80.477 -99.200 -91.000 TYR 371 0.840 48.336 18.547 82.848 -99.200 -91.000 PHE 373 1.000 38.770 25.480 81.963 -99.200 -91.000 PHE 376 1.000 43.867 20.409 78.440 -99.200 -91.000 TYR 378 0.840 46.177 29.769 72.911 -99.200 -91.000 HIS 386 0.900 50.474 13.475 80.499 -99.200 -91.000 PHE 391 1.000 46.230 14.773 75.691 -99.200 -91.000 PHE 395 1.000 41.380 14.567 77.123 -99.200 -91.000 TYR 429 0.840 19.781 34.609 68.336 -99.200 -91.000 TYR 435 0.840 14.544 31.521 68.005 -99.200 -91.000 PHE 439 1.000 13.242 25.060 65.305 -99.200 -91.000 TYR 444 0.840 9.373 25.433 78.890 -99.200 -91.000 PHE 447 1.000 10.473 33.630 84.030 -99.200 -91.000 TYR 464 0.840 15.366 36.992 81.471 -99.200 -91.000 TYR 473 0.840 24.148 30.862 76.357 -99.200 -91.000 PHE 487 1.000 22.302 18.322 75.038 -99.200 -91.000 PHE 498 1.000 18.644 25.102 63.511 -99.200 -91.000 TYR 513 0.840 28.866 14.441 44.574 -99.200 -91.000 TRP 514 1.040 25.235 6.148 49.632 -99.200 -91.000 TRP6 514 1.020 26.879 6.678 51.248 -99.200 -91.000 PHE 519 1.000 32.133 8.056 48.675 -99.200 -91.000 PHE 525 1.000 29.444 3.257 49.118 -99.200 -91.000 PHE 546 1.000 35.986 0.926 75.438 -99.200 -91.000 PHE 549 1.000 31.931 10.168 70.602 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hs5A1 HIS 33 HA 0.08 -0.11 0.14 -0.75 4.63 3.98 3hs5A1 HIS 33 HB2 0.07 -0.08 -0.16 -0.04 3.26 3.05 3hs5A1 HIS 33 HB3 0.05 0.10 0.06 -0.04 3.20 3.36 3hs5A1 HIS 33 HD2 0.04 -0.00 0.02 -0.04 6.97 6.98 3hs5A1 HIS 33 HE1 0.05 -0.08 -0.09 -0.04 7.75 7.59 3hs5A1 HIS 34 H 0.30 0.00 -0.01 -0.55 8.41 8.16 3hs5A1 HIS 34 HA 0.09 0.14 0.45 -0.75 4.63 4.55 3hs5A1 HIS 34 HB2 0.08 -0.02 0.13 -0.04 3.26 3.41 3hs5A1 HIS 34 HB3 0.09 -0.05 0.08 -0.04 3.20 3.27 3hs5A1 HIS 34 HD2 0.04 0.01 0.05 -0.04 6.97 7.02 3hs5A1 HIS 34 HE1 0.03 0.01 -0.06 -0.04 7.75 7.68 3hs5A1 PRO 35 HA 0.13 0.17 0.36 -0.51 4.44 4.60 3hs5A1 PRO 35 HB2 0.19 -0.07 -0.35 -0.04 2.28 2.01 3hs5A1 PRO 35 HB3 0.06 0.04 -0.23 -0.04 2.02 1.85 3hs5A1 PRO 35 HG2 -0.08 -0.07 -0.00 -0.04 2.03 1.84 3hs5A1 PRO 35 HG3 -0.08 0.09 -0.04 -0.04 2.03 1.96 3hs5A1 PRO 35 HD2 -0.77 -0.04 0.24 -0.04 3.68 3.07 3hs5A1 PRO 35 HD3 -0.16 0.40 0.25 -0.04 3.65 4.09 3hs5A1 CYS 36 H 0.61 0.08 -0.42 -0.55 8.50 8.22 3hs5A1 CYS 36 HA -0.09 0.16 0.68 -0.75 4.58 4.59 3hs5A1 CYS 36 HB2 0.16 0.02 -0.04 -0.04 2.97 3.06 3hs5A1 CYS 36 HB3 -0.02 0.05 0.07 -0.04 2.97 3.03 3hs5A1 CYS 37 H 0.19 0.44 -0.41 -0.55 8.50 8.17 3hs5A1 CYS 37 HA -0.02 0.02 0.26 -0.75 4.58 4.08 3hs5A1 CYS 37 HB2 0.03 0.09 0.01 -0.04 2.97 3.06 3hs5A1 CYS 37 HB3 -0.11 0.00 -0.13 -0.04 2.97 2.69 3hs5A1 SER 38 H -0.01 0.14 -0.40 -0.55 8.46 7.65 3hs5A1 SER 38 HA -0.04 -0.02 0.38 -0.75 4.49 4.05 3hs5A1 SER 38 HB2 -0.03 -0.02 0.03 -0.04 3.95 3.89 3hs5A1 SER 38 HB3 0.00 -0.02 -0.02 -0.04 3.93 3.86 3hs5A1 ASN 39 H -0.09 0.57 -0.48 -0.55 8.53 7.98 3hs5A1 ASN 39 HA -0.12 0.03 0.32 -0.75 4.76 4.23 3hs5A1 ASN 39 HB2 -0.09 0.08 0.19 -0.04 2.88 3.02 3hs5A1 ASN 39 HB3 -0.11 -0.00 0.17 -0.04 2.79 2.80 3hs5A1 ASN 39 HD21 -0.07 0.08 0.07 -0.04 7.03 7.08 3hs5A1 ASN 39 HD22 -0.07 -0.07 -0.04 -0.04 7.74 7.52 3hs5A1 PRO 40 HA -0.12 0.11 0.17 -0.51 4.44 4.09 3hs5A1 PRO 40 HB2 -0.38 -0.02 -0.12 -0.04 2.28 1.72 3hs5A1 PRO 40 HB3 -0.36 -0.00 -0.04 -0.04 2.02 1.58 3hs5A1 PRO 40 HG2 -0.70 -0.01 -0.05 -0.04 2.03 1.23 3hs5A1 PRO 40 HG3 -1.33 0.07 -0.02 -0.04 2.03 0.71 3hs5A1 PRO 40 HD2 -0.24 0.11 0.13 -0.04 3.68 3.64 3hs5A1 PRO 40 HD3 -0.25 0.01 -0.05 -0.04 3.65 3.32 3hs5A1 CYS 41 H -0.14 0.05 -0.29 -0.55 8.50 7.56 3hs5A1 CYS 41 HA -0.03 0.04 0.41 -0.75 4.58 4.25 3hs5A1 CYS 41 HB2 -0.05 0.11 -0.19 -0.04 2.97 2.80 3hs5A1 CYS 41 HB3 -0.01 -0.01 -0.36 -0.04 2.97 2.55 3hs5A1 GLN 42 H -0.07 0.57 0.21 -0.55 8.47 8.63 3hs5A1 GLN 42 HA -0.12 0.14 0.66 -0.75 4.36 4.29 3hs5A1 GLN 42 HB2 -0.19 0.12 -0.06 -0.04 2.15 1.97 3hs5A1 GLN 42 HB3 -0.19 -0.10 0.11 -0.04 2.02 1.80 3hs5A1 GLN 42 HG2 -0.08 0.14 0.01 -0.04 2.40 2.43 3hs5A1 GLN 42 HG3 -0.10 -0.10 -0.03 -0.04 2.39 2.11 3hs5A1 GLN 42 HE21 -0.08 0.10 -0.12 -0.04 6.97 6.82 3hs5A1 GLN 42 HE22 -0.08 0.28 -0.31 -0.04 7.69 7.54 3hs5A1 ASN 43 H -0.19 0.14 0.14 -0.55 8.53 8.07 3hs5A1 ASN 43 HA -0.18 0.08 0.34 -0.75 4.76 4.24 3hs5A1 ASN 43 HB2 -0.48 0.15 -0.17 -0.04 2.88 2.33 3hs5A1 ASN 43 HB3 -0.39 0.05 0.15 -0.04 2.79 2.55 3hs5A1 ASN 43 HD21 -0.89 -0.09 0.01 -0.04 7.03 6.02 3hs5A1 ASN 43 HD22 -0.98 0.64 0.07 -0.04 7.74 7.42 3hs5A1 ARG 44 H -0.09 0.05 -0.22 -0.55 8.46 7.65 3hs5A1 ARG 44 HA -0.05 0.02 0.24 -0.75 4.34 3.79 3hs5A1 ARG 44 HB2 0.01 0.13 0.20 -0.04 1.90 2.20 3hs5A1 ARG 44 HB3 -0.01 -0.03 0.17 -0.04 1.80 1.88 3hs5A1 ARG 44 HG2 -0.05 -0.17 -0.33 -0.04 1.67 1.08 3hs5A1 ARG 44 HG3 0.00 0.04 -0.08 -0.04 1.67 1.60 3hs5A1 ARG 44 HD2 -0.13 -0.04 0.09 -0.04 3.22 3.09 3hs5A1 ARG 44 HD3 -0.13 0.10 0.07 -0.04 3.22 3.22 3hs5A1 GLY 45 H -0.04 0.48 -0.46 -0.55 8.43 7.86 3hs5A1 GLY 45 HA2 0.03 0.18 0.56 -0.51 4.01 4.27 3hs5A1 GLY 45 HA3 0.01 -0.10 0.07 -0.51 4.01 3.48 3hs5A1 GLU 46 H 0.05 0.31 0.27 -0.55 8.60 8.68 3hs5A1 GLU 46 HA 0.03 0.23 0.90 -0.75 4.29 4.69 3hs5A1 GLU 46 HB2 0.07 -0.12 0.15 -0.04 2.09 2.15 3hs5A1 GLU 46 HB3 0.10 0.02 0.06 -0.04 1.99 2.13 3hs5A1 GLU 46 HG2 0.09 0.11 -0.14 -0.04 2.34 2.37 3hs5A1 GLU 46 HG3 0.06 0.12 -0.02 -0.04 2.34 2.46 3hs5A1 CYS 47 H 0.00 0.22 0.20 -0.55 8.50 8.37 3hs5A1 CYS 47 HA 0.08 0.21 0.81 -0.75 4.58 4.92 3hs5A1 CYS 47 HB2 -0.06 -0.00 0.05 -0.04 2.97 2.92 3hs5A1 CYS 47 HB3 -0.02 0.03 0.11 -0.04 2.97 3.04 3hs5A1 MET 48 H 0.13 0.56 0.37 -0.55 8.47 8.99 3hs5A1 MET 48 HA 0.11 0.09 0.78 -0.75 4.52 4.76 3hs5A1 MET 48 HB2 0.07 0.04 -0.10 -0.04 2.15 2.12 3hs5A1 MET 48 HB3 0.07 0.00 0.08 -0.04 2.03 2.13 3hs5A1 MET 48 HG2 0.02 0.29 -0.16 -0.04 2.63 2.74 3hs5A1 MET 48 HG3 0.04 -0.05 0.09 -0.04 2.56 2.60 3hs5A1 MET 48 HE3 0.01 -0.02 -0.08 -0.04 2.10 1.97 3hs5A1 SER 49 H 0.07 0.12 0.17 -0.55 8.46 8.27 3hs5A1 SER 49 HA 0.02 0.17 0.88 -0.75 4.49 4.81 3hs5A1 SER 49 HB2 -0.19 0.19 0.23 -0.04 3.95 4.14 3hs5A1 SER 49 HB3 -0.37 -0.07 0.18 -0.04 3.93 3.62 3hs5A1 THR 50 H -0.04 0.56 0.20 -0.55 8.28 8.45 3hs5A1 THR 50 HA -0.05 0.20 0.82 -0.75 4.39 4.61 3hs5A1 THR 50 HB -0.04 -0.02 0.08 -0.04 4.32 4.30 3hs5A1 THR 50 HG23 -0.01 0.02 -0.25 -0.04 1.22 0.94 3hs5A1 GLY 51 H -0.11 0.41 0.24 -0.55 8.43 8.42 3hs5A1 GLY 51 HA2 -0.20 0.11 0.30 -0.51 4.01 3.71 3hs5A1 GLY 51 HA3 -0.06 0.04 0.47 -0.51 4.01 3.95 3hs5A1 PHE 52 H 0.07 0.16 0.16 -0.55 8.34 8.17 3hs5A1 PHE 52 HA -0.06 0.13 0.50 -0.75 4.62 4.43 3hs5A1 PHE 52 HB2 -0.04 -0.05 0.13 -0.04 3.15 3.16 3hs5A1 PHE 52 HB3 -0.05 0.11 0.06 -0.04 3.06 3.15 3hs5A1 PHE 52 HD2 -0.03 0.02 0.06 -0.04 7.28 7.29 3hs5A1 PHE 52 HE2 -0.01 0.01 0.01 -0.04 7.38 7.34 3hs5A1 PHE 52 HZ -0.01 0.00 -0.00 -0.04 7.32 7.27 3hs5A1 ASP 53 H 0.07 -0.04 -0.15 -0.55 8.40 7.73 3hs5A1 ASP 53 HA 0.00 0.36 0.92 -0.75 4.63 5.15 3hs5A1 ASP 53 HB2 0.03 -0.07 0.03 -0.04 2.71 2.66 3hs5A1 ASP 53 HB3 0.01 0.03 0.16 -0.04 2.70 2.86 3hs5A1 GLN 54 H -0.01 0.17 -0.19 -0.55 8.47 7.90 3hs5A1 GLN 54 HA -0.01 0.26 0.95 -0.75 4.36 4.80 3hs5A1 GLN 54 HB2 -0.04 -0.09 -0.15 -0.04 2.15 1.82 3hs5A1 GLN 54 HB3 -0.08 0.11 0.01 -0.04 2.02 2.01 3hs5A1 GLN 54 HG2 -0.00 -0.20 -0.30 -0.04 2.40 1.85 3hs5A1 GLN 54 HG3 -0.03 0.04 -0.11 -0.04 2.39 2.25 3hs5A1 TYR 55 H -0.26 0.26 0.19 -0.55 8.29 7.93 3hs5A1 TYR 55 HA -0.02 0.15 1.00 -0.75 4.56 4.95 3hs5A1 TYR 55 HB2 0.03 0.04 -0.05 -0.04 3.06 3.03 3hs5A1 TYR 55 HB3 0.02 -0.03 -0.31 -0.04 2.98 2.62 3hs5A1 TYR 55 HD2 0.02 0.01 -0.30 -0.04 7.15 6.84 3hs5A1 TYR 55 HE2 0.01 0.04 -0.11 -0.04 6.85 6.76 3hs5A1 LYS 56 H 0.17 0.81 0.35 -0.55 8.42 9.20 3hs5A1 LYS 56 HA -0.00 0.10 0.74 -0.75 4.32 4.41 3hs5A1 LYS 56 HB2 -0.01 -0.01 -0.03 -0.04 1.87 1.79 3hs5A1 LYS 56 HB3 0.04 0.03 0.02 -0.04 1.79 1.84 3hs5A1 LYS 56 HG2 0.03 -0.04 -0.10 -0.04 1.46 1.30 3hs5A1 LYS 56 HG3 0.06 0.06 -0.46 -0.04 1.46 1.08 3hs5A1 LYS 56 HD2 0.02 0.00 0.12 -0.04 1.69 1.79 3hs5A1 LYS 56 HD3 -0.00 -0.05 0.03 -0.04 1.68 1.63 3hs5A1 LYS 56 HE2 0.02 -0.04 -0.03 -0.04 2.99 2.90 3hs5A1 LYS 56 HE3 0.04 0.15 0.05 -0.04 2.99 3.18 3hs5A1 CYS 57 H 0.12 0.21 0.15 -0.55 8.50 8.44 3hs5A1 CYS 57 HA 0.11 0.34 0.92 -0.75 4.58 5.19 3hs5A1 CYS 57 HB2 0.11 0.07 0.01 -0.04 2.97 3.12 3hs5A1 CYS 57 HB3 0.07 -0.00 -0.24 -0.04 2.97 2.77 3hs5A1 ASP 58 H 0.07 0.71 0.26 -0.55 8.40 8.89 3hs5A1 ASP 58 HA 0.06 0.07 0.90 -0.75 4.63 4.90 3hs5A1 ASP 58 HB2 0.05 0.04 0.05 -0.04 2.71 2.82 3hs5A1 ASP 58 HB3 0.06 0.03 0.27 -0.04 2.70 3.02 3hs5A1 CYS 59 H 0.07 0.16 0.09 -0.55 8.50 8.27 3hs5A1 CYS 59 HA 0.07 0.26 0.53 -0.75 4.58 4.69 3hs5A1 CYS 59 HB2 0.11 -0.07 0.10 -0.04 2.97 3.08 3hs5A1 CYS 59 HB3 0.14 0.19 0.11 -0.04 2.97 3.37 3hs5A1 THR 60 H 0.05 0.03 -0.34 -0.55 8.28 7.47 3hs5A1 THR 60 HA 0.04 -0.08 0.37 -0.75 4.39 3.97 3hs5A1 THR 60 HB 0.03 0.10 0.06 -0.04 4.32 4.47 3hs5A1 THR 60 HG23 0.02 0.01 -0.08 -0.04 1.22 1.13 3hs5A1 ARG 61 H 0.04 0.03 0.22 -0.55 8.46 8.20 3hs5A1 ARG 61 HA 0.03 -0.08 0.37 -0.75 4.34 3.90 3hs5A1 ARG 61 HB2 0.02 0.17 -0.17 -0.04 1.90 1.89 3hs5A1 ARG 61 HB3 0.02 0.06 0.20 -0.04 1.80 2.04 3hs5A1 ARG 61 HG2 0.01 -0.02 0.06 -0.04 1.67 1.68 3hs5A1 ARG 61 HG3 0.02 -0.12 -0.03 -0.04 1.67 1.50 3hs5A1 ARG 61 HD2 0.01 0.07 0.00 -0.04 3.22 3.26 3hs5A1 ARG 61 HD3 0.01 -0.04 -0.01 -0.04 3.22 3.14 3hs5A1 THR 62 H 0.08 0.41 -0.32 -0.55 8.28 7.91 3hs5A1 THR 62 HA 0.10 0.24 0.65 -0.75 4.39 4.62 3hs5A1 THR 62 HB 0.18 0.26 0.12 -0.04 4.32 4.84 3hs5A1 THR 62 HG23 0.06 0.00 -0.29 -0.04 1.22 0.96 3hs5A1 GLY 63 H 0.08 0.02 -0.10 -0.55 8.43 7.88 3hs5A1 GLY 63 HA2 -0.03 -0.10 0.29 -0.51 4.01 3.67 3hs5A1 GLY 63 HA3 -0.08 0.18 0.65 -0.51 4.01 4.25 3hs5A1 PHE 64 H 0.26 0.16 -0.21 -0.55 8.34 8.00 3hs5A1 PHE 64 HA 0.04 0.13 0.79 -0.75 4.62 4.83 3hs5A1 PHE 64 HB2 0.01 0.06 -0.14 -0.04 3.15 3.04 3hs5A1 PHE 64 HB3 -0.04 -0.11 -0.44 -0.04 3.06 2.43 3hs5A1 PHE 64 HD2 -0.03 0.02 -0.60 -0.04 7.28 6.62 3hs5A1 PHE 64 HE2 -0.02 0.04 -0.07 -0.04 7.38 7.29 3hs5A1 PHE 64 HZ -0.02 -0.01 -0.06 -0.04 7.32 7.19 3hs5A1 TYR 65 H -0.08 0.70 0.16 -0.55 8.29 8.53 3hs5A1 TYR 65 HA 0.09 0.16 0.51 -0.75 4.56 4.56 3hs5A1 TYR 65 HB2 0.04 -0.15 0.19 -0.04 3.06 3.10 3hs5A1 TYR 65 HB3 0.05 0.09 -0.08 -0.04 2.98 3.00 3hs5A1 TYR 65 HD2 0.03 -0.07 -0.19 -0.04 7.15 6.87 3hs5A1 TYR 65 HE2 0.02 -0.01 -0.15 -0.04 6.85 6.66 3hs5A1 GLY 66 H 0.31 0.14 0.14 -0.55 8.43 8.47 3hs5A1 GLY 66 HA2 0.12 0.08 0.39 -0.51 4.01 4.10 3hs5A1 GLY 66 HA3 -0.01 0.10 0.77 -0.51 4.01 4.37 3hs5A1 GLU 67 H 0.04 0.16 0.16 -0.55 8.60 8.41 3hs5A1 GLU 67 HA 0.04 0.08 0.26 -0.75 4.29 3.92 3hs5A1 GLU 67 HB2 0.02 -0.01 0.15 -0.04 2.09 2.21 3hs5A1 GLU 67 HB3 0.04 -0.00 0.10 -0.04 1.99 2.08 3hs5A1 GLU 67 HG2 0.07 0.05 -0.18 -0.04 2.34 2.24 3hs5A1 GLU 67 HG3 -0.05 0.01 0.07 -0.04 2.34 2.33 3hs5A1 ASN 68 H 0.04 -0.02 -0.25 -0.55 8.53 7.75 3hs5A1 ASN 68 HA 0.10 0.23 0.77 -0.75 4.76 5.10 3hs5A1 ASN 68 HB2 0.02 -0.09 -0.01 -0.04 2.88 2.75 3hs5A1 ASN 68 HB3 0.01 0.31 0.18 -0.04 2.79 3.24 3hs5A1 ASN 68 HD21 0.10 -0.01 -0.07 -0.04 7.03 7.02 3hs5A1 ASN 68 HD22 0.04 -0.02 -0.04 -0.04 7.74 7.68 3hs5A1 CYS 69 H 0.05 0.39 -0.48 -0.55 8.50 7.90 3hs5A1 CYS 69 HA 0.08 -0.01 -0.04 -0.75 4.58 3.85 3hs5A1 CYS 69 HB2 -0.04 0.29 0.07 -0.04 2.97 3.25 3hs5A1 CYS 69 HB3 0.07 0.01 -0.05 -0.04 2.97 2.96 3hs5A1 THR 70 H -0.02 -0.10 -0.18 -0.55 8.28 7.44 3hs5A1 THR 70 HA -0.17 0.31 0.85 -0.75 4.39 4.63 3hs5A1 THR 70 HB -0.04 0.02 0.04 -0.04 4.32 4.29 3hs5A1 THR 70 HG23 -0.08 0.04 -0.19 -0.04 1.22 0.94 3hs5A1 THR 71 H -0.09 0.32 0.14 -0.55 8.28 8.09 3hs5A1 THR 71 HA -0.07 0.20 0.77 -0.75 4.39 4.53 3hs5A1 THR 71 HB -1.02 -0.11 -0.02 -0.04 4.32 3.13 3hs5A1 THR 71 HG23 -0.27 0.04 -0.08 -0.04 1.22 0.87 3hs5A1 PRO 72 HA -0.63 0.15 0.52 -0.51 4.44 3.97 3hs5A1 PRO 72 HB2 -0.24 0.04 -0.02 -0.04 2.28 2.01 3hs5A1 PRO 72 HB3 -0.31 0.09 0.02 -0.04 2.02 1.78 3hs5A1 PRO 72 HG2 -0.03 -0.04 0.05 -0.04 2.03 1.96 3hs5A1 PRO 72 HG3 0.03 0.06 0.06 -0.04 2.03 2.15 3hs5A1 PRO 72 HD2 -0.02 -0.02 0.23 -0.04 3.68 3.83 3hs5A1 PRO 72 HD3 0.11 0.39 0.30 -0.04 3.65 4.41 3hs5A1 GLU 73 H -0.26 0.62 0.32 -0.55 8.60 8.73 3hs5A1 GLU 73 HA 0.21 0.10 0.65 -0.75 4.29 4.50 3hs5A1 GLU 73 HB2 -0.06 0.10 0.15 -0.04 2.09 2.24 3hs5A1 GLU 73 HB3 0.04 -0.15 0.10 -0.04 1.99 1.95 3hs5A1 GLU 73 HG2 0.08 -0.03 -0.01 -0.04 2.34 2.34 3hs5A1 GLU 73 HG3 0.24 0.06 -0.19 -0.04 2.34 2.42 3hs5A1 PHE 74 H 0.19 0.15 0.14 -0.55 8.34 8.27 3hs5A1 PHE 74 HA -0.02 0.13 0.30 -0.75 4.62 4.28 3hs5A1 PHE 74 HB2 -0.00 0.04 0.13 -0.04 3.15 3.28 3hs5A1 PHE 74 HB3 -0.02 -0.04 0.15 -0.04 3.06 3.11 3hs5A1 PHE 74 HD2 -0.01 -0.00 -0.03 -0.04 7.28 7.19 3hs5A1 PHE 74 HE2 -0.01 0.02 -0.03 -0.04 7.38 7.32 3hs5A1 PHE 74 HZ -0.01 0.02 -0.02 -0.04 7.32 7.27 3hs5A1 LEU 75 H 0.06 0.08 -0.06 -0.55 8.37 7.90 3hs5A1 LEU 75 HA -0.23 0.09 0.41 -0.75 4.35 3.86 3hs5A1 LEU 75 HB2 0.01 -0.00 0.09 -0.04 1.64 1.71 3hs5A1 LEU 75 HB3 -0.03 -0.02 0.06 -0.04 1.64 1.61 3hs5A1 LEU 75 HG -0.08 0.05 -0.20 -0.04 1.64 1.37 3hs5A1 LEU 75 HD13 -0.05 0.00 0.02 -0.04 0.93 0.87 3hs5A1 LEU 75 HD23 -0.02 0.01 -0.02 -0.04 0.89 0.82 3hs5A1 THR 76 H -0.14 0.04 -0.31 -0.55 8.28 7.32 3hs5A1 THR 76 HA -0.16 0.09 0.46 -0.75 4.39 4.03 3hs5A1 THR 76 HB -0.41 0.06 0.14 -0.04 4.32 4.07 3hs5A1 THR 76 HG23 -0.58 0.03 -0.03 -0.04 1.22 0.60 3hs5A1 ARG 77 H -0.20 0.52 -0.16 -0.55 8.46 8.07 3hs5A1 ARG 77 HA -0.11 0.04 0.39 -0.75 4.34 3.92 3hs5A1 ARG 77 HB2 -0.11 0.09 0.04 -0.04 1.90 1.89 3hs5A1 ARG 77 HB3 -0.21 0.03 0.06 -0.04 1.80 1.64 3hs5A1 ARG 77 HG2 -0.06 -0.02 0.02 -0.04 1.67 1.57 3hs5A1 ARG 77 HG3 -0.04 0.01 0.03 -0.04 1.67 1.63 3hs5A1 ARG 77 HD2 0.01 -0.02 -0.03 -0.04 3.22 3.14 3hs5A1 ARG 77 HD3 0.01 -0.02 -0.01 -0.04 3.22 3.15 3hs5A1 ILE 78 H -0.33 0.39 -0.14 -0.55 8.25 7.61 3hs5A1 ILE 78 HA -0.17 0.03 0.52 -0.75 4.18 3.81 3hs5A1 ILE 78 HB -0.27 0.10 0.13 -0.04 1.89 1.81 3hs5A1 ILE 78 HG12 -0.92 0.22 0.06 -0.04 1.49 0.81 3hs5A1 ILE 78 HG13 -0.56 -0.06 -0.01 -0.04 1.21 0.55 3hs5A1 ILE 78 HG23 -0.12 -0.01 -0.06 -0.04 0.93 0.70 3hs5A1 ILE 78 HD13 -0.30 -0.02 -0.04 -0.04 0.88 0.48 3hs5A1 LYS 79 H -0.14 0.51 -0.10 -0.55 8.42 8.14 3hs5A1 LYS 79 HA -0.06 0.01 0.42 -0.75 4.32 3.93 3hs5A1 LYS 79 HB2 -0.10 0.05 0.23 -0.04 1.87 2.01 3hs5A1 LYS 79 HB3 -0.06 0.02 -0.02 -0.04 1.79 1.69 3hs5A1 LYS 79 HG2 -0.06 -0.02 0.03 -0.04 1.46 1.37 3hs5A1 LYS 79 HG3 -0.09 0.01 0.04 -0.04 1.46 1.38 3hs5A1 LYS 79 HD2 -0.09 -0.07 -0.11 -0.04 1.69 1.38 3hs5A1 LYS 79 HD3 -0.08 0.06 -0.02 -0.04 1.68 1.59 3hs5A1 LYS 79 HE2 -0.06 0.02 -0.02 -0.04 2.99 2.89 3hs5A1 LYS 79 HE3 -0.06 -0.06 -0.05 -0.04 2.99 2.78 3hs5A1 LEU 80 H -0.07 0.61 -0.09 -0.55 8.37 8.27 3hs5A1 LEU 80 HA 0.00 0.08 0.54 -0.75 4.35 4.22 3hs5A1 LEU 80 HB2 -0.02 0.07 0.15 -0.04 1.64 1.80 3hs5A1 LEU 80 HB3 0.02 -0.04 -0.00 -0.04 1.64 1.57 3hs5A1 LEU 80 HG 0.01 0.07 0.03 -0.04 1.64 1.71 3hs5A1 LEU 80 HD13 0.15 -0.03 -0.05 -0.04 0.93 0.95 3hs5A1 LEU 80 HD23 0.10 -0.00 0.01 -0.04 0.89 0.95 3hs5A1 LEU 81 H -0.05 0.36 -0.19 -0.55 8.37 7.94 3hs5A1 LEU 81 HA -0.02 0.02 0.44 -0.75 4.35 4.04 3hs5A1 LEU 81 HB2 -0.06 0.10 0.17 -0.04 1.64 1.82 3hs5A1 LEU 81 HB3 -0.03 -0.07 0.05 -0.04 1.64 1.54 3hs5A1 LEU 81 HG -0.04 0.11 0.10 -0.04 1.64 1.77 3hs5A1 LEU 81 HD13 -0.05 -0.04 -0.02 -0.04 0.93 0.79 3hs5A1 LEU 81 HD23 -0.01 -0.02 0.03 -0.04 0.89 0.84 3hs5A1 LEU 82 H -0.03 0.25 -0.48 -0.55 8.37 7.56 3hs5A1 LEU 82 HA -0.02 0.06 0.60 -0.75 4.35 4.24 3hs5A1 LEU 82 HB2 -0.04 0.13 0.11 -0.04 1.64 1.80 3hs5A1 LEU 82 HB3 -0.02 -0.05 0.03 -0.04 1.64 1.56 3hs5A1 LEU 82 HG -0.03 -0.05 0.01 -0.04 1.64 1.54 3hs5A1 LEU 82 HD13 -0.04 0.04 -0.10 -0.04 0.93 0.78 3hs5A1 LEU 82 HD23 -0.04 -0.03 -0.04 -0.04 0.89 0.75 3hs5A1 LYS 83 H -0.00 0.25 -0.27 -0.55 8.42 7.84 3hs5A1 LYS 83 HA 0.02 0.06 0.59 -0.75 4.32 4.24 3hs5A1 LYS 83 HB2 0.02 0.09 0.14 -0.04 1.87 2.08 3hs5A1 LYS 83 HB3 0.02 0.01 0.16 -0.04 1.79 1.94 3hs5A1 LYS 83 HG2 0.05 0.13 -0.18 -0.04 1.46 1.42 3hs5A1 LYS 83 HG3 0.06 -0.04 0.05 -0.04 1.46 1.49 3hs5A1 PRO 84 HA 0.03 0.05 0.69 -0.51 4.44 4.70 3hs5A1 PRO 84 HB2 0.06 -0.05 0.00 -0.04 2.28 2.25 3hs5A1 PRO 84 HB3 0.03 0.00 0.09 -0.04 2.02 2.10 3hs5A1 PRO 84 HG2 0.08 0.01 0.07 -0.04 2.03 2.15 3hs5A1 PRO 84 HG3 0.04 0.00 0.07 -0.04 2.03 2.10 3hs5A1 PRO 84 HD2 0.06 0.06 0.27 -0.04 3.68 4.03 3hs5A1 PRO 84 HD3 0.02 0.32 0.29 -0.04 3.65 4.24 3hs5A1 THR 85 H 0.04 0.03 0.16 -0.55 8.28 7.96 3hs5A1 THR 85 HA 0.04 0.28 0.45 -0.75 4.39 4.41 3hs5A1 THR 85 HB 0.03 -0.01 0.19 -0.04 4.32 4.49 3hs5A1 THR 85 HG23 0.02 0.05 0.09 -0.04 1.22 1.33 3hs5A1 PRO 86 HA 0.09 0.15 0.58 -0.51 4.44 4.75 3hs5A1 PRO 86 HB2 0.04 -0.07 0.07 -0.04 2.28 2.28 3hs5A1 PRO 86 HB3 0.06 0.08 0.09 -0.04 2.02 2.21 3hs5A1 PRO 86 HG2 0.03 0.06 0.09 -0.04 2.03 2.18 3hs5A1 PRO 86 HG3 0.05 0.18 0.10 -0.04 2.03 2.32 3hs5A1 PRO 86 HD2 0.03 0.00 0.27 -0.04 3.68 3.94 3hs5A1 PRO 86 HD3 0.04 0.31 0.22 -0.04 3.65 4.18 3hs5A1 ASN 87 H 0.06 0.14 -0.13 -0.55 8.53 8.05 3hs5A1 ASN 87 HA 0.12 0.12 0.37 -0.75 4.76 4.61 3hs5A1 ASN 87 HB2 0.05 -0.02 0.06 -0.04 2.88 2.93 3hs5A1 ASN 87 HB3 0.08 0.05 0.01 -0.04 2.79 2.88 3hs5A1 ASN 87 HD21 0.03 0.01 0.03 -0.04 7.03 7.06 3hs5A1 ASN 87 HD22 0.03 0.01 0.02 -0.04 7.74 7.77 3hs5A1 THR 88 H 0.09 0.09 -0.33 -0.55 8.28 7.58 3hs5A1 THR 88 HA 0.12 0.08 0.53 -0.75 4.39 4.36 3hs5A1 THR 88 HB 0.07 0.14 0.08 -0.04 4.32 4.57 3hs5A1 THR 88 HG23 0.06 0.01 -0.10 -0.04 1.22 1.15 3hs5A1 VAL 89 H 0.13 0.50 -0.13 -0.55 8.24 8.19 3hs5A1 VAL 89 HA 0.14 0.01 0.44 -0.75 4.13 3.97 3hs5A1 VAL 89 HB 0.13 0.09 0.13 -0.04 2.12 2.43 3hs5A1 VAL 89 HG13 0.11 -0.00 -0.10 -0.04 0.97 0.94 3hs5A1 VAL 89 HG23 0.13 0.05 -0.03 -0.04 0.95 1.06 3hs5A1 HIS 90 H 0.24 0.64 -0.12 -0.55 8.41 8.62 3hs5A1 HIS 90 HA 0.09 0.04 0.37 -0.75 4.63 4.38 3hs5A1 HIS 90 HB2 0.13 0.02 0.07 -0.04 3.26 3.43 3hs5A1 HIS 90 HB3 0.12 0.02 0.10 -0.04 3.20 3.40 3hs5A1 HIS 90 HD2 0.12 -0.02 -0.19 -0.04 6.97 6.83 3hs5A1 HIS 90 HE1 -0.01 0.17 0.01 -0.04 7.75 7.88 3hs5A1 TYR 91 H 0.33 0.35 -0.36 -0.55 8.29 8.06 3hs5A1 TYR 91 HA 0.17 0.05 0.36 -0.75 4.56 4.39 3hs5A1 TYR 91 HB2 0.09 0.04 0.15 -0.04 3.06 3.30 3hs5A1 TYR 91 HB3 0.09 0.12 0.19 -0.04 2.98 3.34 3hs5A1 TYR 91 HD2 0.03 0.04 -0.15 -0.04 7.15 7.03 3hs5A1 TYR 91 HE2 -0.26 -0.03 -0.03 -0.04 6.85 6.48 3hs5A1 ILE 92 H 0.32 0.52 -0.11 -0.55 8.25 8.43 3hs5A1 ILE 92 HA 0.61 -0.05 0.39 -0.75 4.18 4.38 3hs5A1 ILE 92 HB 0.25 0.15 0.17 -0.04 1.89 2.42 3hs5A1 ILE 92 HG12 0.34 -0.09 0.03 -0.04 1.49 1.73 3hs5A1 ILE 92 HG13 0.34 0.16 0.10 -0.04 1.21 1.76 3hs5A1 ILE 92 HG23 0.36 -0.03 -0.09 -0.04 0.93 1.13 3hs5A1 ILE 92 HD13 0.10 -0.02 -0.04 -0.04 0.88 0.88 3hs5A1 LEU 93 H 0.04 0.57 -0.17 -0.55 8.37 8.27 3hs5A1 LEU 93 HA -0.29 -0.02 0.44 -0.75 4.35 3.73 3hs5A1 LEU 93 HB2 -0.45 0.14 0.09 -0.04 1.64 1.38 3hs5A1 LEU 93 HB3 -0.96 -0.10 0.07 -0.04 1.64 0.61 3hs5A1 LEU 93 HG -0.18 0.02 0.01 -0.04 1.64 1.44 3hs5A1 LEU 93 HD13 -0.74 -0.01 -0.11 -0.04 0.93 0.03 3hs5A1 LEU 93 HD23 -0.83 -0.02 -0.00 -0.04 0.89 -0.00 3hs5A1 THR 94 H -0.10 0.35 -0.45 -0.55 8.28 7.52 3hs5A1 THR 94 HA -0.49 0.13 0.95 -0.75 4.39 4.23 3hs5A1 THR 94 HB -0.40 -0.05 0.19 -0.04 4.32 4.02 3hs5A1 THR 94 HG23 -0.44 0.04 -0.18 -0.04 1.22 0.60 3hs5A1 HIS 95 H 0.16 0.36 -0.20 -0.55 8.41 8.18 3hs5A1 HIS 95 HA -0.07 0.08 0.65 -0.75 4.63 4.54 3hs5A1 HIS 95 HB2 -0.83 0.12 0.07 -0.04 3.26 2.59 3hs5A1 HIS 95 HB3 -0.95 -0.26 0.21 -0.04 3.20 2.16 3hs5A1 HIS 95 HD2 -0.29 -0.11 0.07 -0.04 6.97 6.59 3hs5A1 HIS 95 HE1 -0.28 -0.02 -0.02 -0.04 7.75 7.38 3hs5A1 PHE 96 H -0.30 0.12 0.17 -0.55 8.34 7.77 3hs5A1 PHE 96 HA 0.07 -0.04 0.39 -0.75 4.62 4.29 3hs5A1 PHE 96 HB2 -0.02 0.24 0.12 -0.04 3.15 3.44 3hs5A1 PHE 96 HB3 -0.08 -0.12 0.20 -0.04 3.06 3.02 3hs5A1 PHE 96 HD2 0.13 0.13 -0.03 -0.04 7.28 7.47 3hs5A1 PHE 96 HE2 0.16 0.01 -0.01 -0.04 7.38 7.50 3hs5A1 PHE 96 HZ 0.20 0.01 -0.01 -0.04 7.32 7.47 3hs5A1 LYS 97 H 0.05 0.14 -0.07 -0.55 8.42 7.97 3hs5A1 LYS 97 HA 0.13 0.17 0.23 -0.75 4.32 4.09 3hs5A1 LYS 97 HB2 -0.52 0.08 0.03 -0.04 1.87 1.42 3hs5A1 LYS 97 HB3 -0.15 -0.05 0.01 -0.04 1.79 1.57 3hs5A1 LYS 97 HG2 -0.14 -0.05 -0.03 -0.04 1.46 1.20 3hs5A1 LYS 97 HG3 -0.79 0.10 0.01 -0.04 1.46 0.74 3hs5A1 LYS 97 HD2 -0.33 0.04 -0.02 -0.04 1.69 1.34 3hs5A1 LYS 97 HD3 -0.14 -0.05 -0.04 -0.04 1.68 1.41 3hs5A1 LYS 97 HE2 -0.06 -0.01 -0.02 -0.04 2.99 2.85 3hs5A1 LYS 97 HE3 -0.09 0.09 -0.01 -0.04 2.99 2.94 3hs5A1 GLY 98 H 0.05 0.04 -0.23 -0.55 8.43 7.74 3hs5A1 GLY 98 HA2 0.02 0.10 0.43 -0.51 4.01 4.04 3hs5A1 GLY 98 HA3 0.02 0.03 0.25 -0.51 4.01 3.80 3hs5A1 VAL 99 H 0.00 0.17 -0.17 -0.55 8.24 7.70 3hs5A1 VAL 99 HA -0.11 0.04 0.52 -0.75 4.13 3.82 3hs5A1 VAL 99 HB -0.41 0.22 0.18 -0.04 2.12 2.06 3hs5A1 VAL 99 HG13 -0.50 -0.00 -0.06 -0.04 0.97 0.37 3hs5A1 VAL 99 HG23 -0.15 -0.03 0.05 -0.04 0.95 0.78 3hs5A1 TRP 100 H 0.04 0.47 -0.07 -0.55 7.97 7.85 3hs5A1 TRP 100 HA 0.12 -0.02 0.38 -0.75 4.62 4.34 3hs5A1 TRP 100 HB2 0.12 0.07 -0.01 -0.04 3.23 3.36 3hs5A1 TRP 100 HB3 0.19 0.03 -0.24 -0.04 3.23 3.18 3hs5A1 TRP 100 HD1 0.23 0.01 -0.26 -0.04 7.22 7.16 3hs5A1 TRP 100 HE1 0.22 0.53 0.15 -0.04 10.20 11.05 3hs5A1 TRP 100 HE3 0.24 -0.07 -0.00 -0.04 7.59 7.72 3hs5A1 TRP 100 HZ2 -0.00 0.01 -0.22 -0.04 7.44 7.19 3hs5A1 TRP 100 HZ3 -0.29 -0.01 -0.05 -0.04 7.13 6.74 3hs5A1 TRP 100 HH2 -0.19 0.00 -0.05 -0.04 7.19 6.90 3hs5A1 ASN 101 H 0.16 0.52 -0.24 -0.55 8.53 8.42 3hs5A1 ASN 101 HA 0.13 0.06 0.46 -0.75 4.76 4.66 3hs5A1 ASN 101 HB2 0.05 0.12 0.15 -0.04 2.88 3.16 3hs5A1 ASN 101 HB3 0.05 -0.05 -0.00 -0.04 2.79 2.75 3hs5A1 ASN 101 HD21 -0.00 -0.05 -0.08 -0.04 7.03 6.86 3hs5A1 ASN 101 HD22 0.02 -0.07 -0.03 -0.04 7.74 7.62 3hs5A1 ILE 102 H 0.05 0.32 -0.25 -0.55 8.25 7.83 3hs5A1 ILE 102 HA 0.05 0.05 0.53 -0.75 4.18 4.06 3hs5A1 ILE 102 HB -0.01 0.12 0.19 -0.04 1.89 2.14 3hs5A1 ILE 102 HG12 0.01 -0.04 0.02 -0.04 1.49 1.44 3hs5A1 ILE 102 HG13 0.01 0.07 0.07 -0.04 1.21 1.32 3hs5A1 ILE 102 HG23 0.01 -0.02 -0.08 -0.04 0.93 0.80 3hs5A1 ILE 102 HD13 -0.02 -0.03 0.01 -0.04 0.88 0.80 3hs5A1 VAL 103 H 0.08 0.54 0.02 -0.55 8.24 8.32 3hs5A1 VAL 103 HA 0.11 -0.04 0.37 -0.75 4.13 3.81 3hs5A1 VAL 103 HB 0.38 0.06 0.14 -0.04 2.12 2.66 3hs5A1 VAL 103 HG13 0.37 -0.02 -0.21 -0.04 0.97 1.08 3hs5A1 VAL 103 HG23 -0.14 0.02 0.00 -0.04 0.95 0.79 3hs5A1 ASN 104 H 0.26 0.78 -0.09 -0.55 8.53 8.93 3hs5A1 ASN 104 HA 0.18 -0.00 0.41 -0.75 4.76 4.59 3hs5A1 ASN 104 HB2 0.13 0.08 0.10 -0.04 2.88 3.15 3hs5A1 ASN 104 HB3 0.06 -0.03 0.07 -0.04 2.79 2.85 3hs5A1 ASN 104 HD21 0.18 0.40 0.12 -0.04 7.03 7.69 3hs5A1 ASN 104 HD22 0.13 -0.06 -0.03 -0.04 7.74 7.74 3hs5A1 ASN 105 H 0.10 0.32 -0.43 -0.55 8.53 7.98 3hs5A1 ASN 105 HA 0.06 0.13 0.73 -0.75 4.76 4.92 3hs5A1 ASN 105 HB2 0.06 0.09 0.14 -0.04 2.88 3.13 3hs5A1 ASN 105 HB3 0.05 -0.10 0.18 -0.04 2.79 2.88 3hs5A1 ASN 105 HD21 0.05 -0.10 0.03 -0.04 7.03 6.96 3hs5A1 ASN 105 HD22 0.05 0.16 0.08 -0.04 7.74 7.99 3hs5A1 ILE 105 H 0.11 0.42 -0.35 -0.55 8.25 7.88 3hs5A1 ILE 105 HA 0.08 0.17 0.91 -0.75 4.18 4.59 3hs5A1 ILE 105 HB 0.11 0.01 0.23 -0.04 1.89 2.19 3hs5A1 ILE 105 HG12 0.07 0.32 -0.09 -0.04 1.49 1.74 3hs5A1 ILE 105 HG13 0.06 -0.09 -0.02 -0.04 1.21 1.11 3hs5A1 ILE 105 HG23 0.13 -0.09 0.01 -0.04 0.93 0.94 3hs5A1 ILE 105 HD13 0.05 0.03 -0.00 -0.04 0.88 0.91 3hs5A1 PRO 106 HA 0.09 0.14 0.31 -0.51 4.44 4.46 3hs5A1 PRO 106 HB2 0.11 -0.03 0.04 -0.04 2.28 2.36 3hs5A1 PRO 106 HB3 0.07 0.06 0.07 -0.04 2.02 2.18 3hs5A1 PRO 106 HG2 0.07 0.02 0.07 -0.04 2.03 2.15 3hs5A1 PRO 106 HG3 0.06 0.12 0.04 -0.04 2.03 2.21 3hs5A1 PRO 106 HD2 0.09 0.02 0.19 -0.04 3.68 3.94 3hs5A1 PRO 106 HD3 0.07 0.43 -0.01 -0.04 3.65 4.10 3hs5A1 PHE 107 H 0.24 0.12 -0.19 -0.55 8.34 7.95 3hs5A1 PHE 107 HA 0.05 0.09 0.44 -0.75 4.62 4.45 3hs5A1 PHE 107 HB2 0.03 0.02 0.07 -0.04 3.15 3.23 3hs5A1 PHE 107 HB3 0.03 -0.02 0.05 -0.04 3.06 3.08 3hs5A1 PHE 107 HD2 0.03 -0.00 -0.08 -0.04 7.28 7.19 3hs5A1 PHE 107 HE2 0.02 0.01 -0.04 -0.04 7.38 7.33 3hs5A1 PHE 107 HZ 0.02 0.01 -0.02 -0.04 7.32 7.29 3hs5A1 LEU 108 H 0.17 0.20 -0.13 -0.55 8.37 8.06 3hs5A1 LEU 108 HA -0.12 0.04 0.55 -0.75 4.35 4.06 3hs5A1 LEU 108 HB2 0.11 0.25 0.22 -0.04 1.64 2.18 3hs5A1 LEU 108 HB3 0.06 -0.03 0.04 -0.04 1.64 1.67 3hs5A1 LEU 108 HG 0.20 -0.08 0.03 -0.04 1.64 1.75 3hs5A1 LEU 108 HD13 0.06 0.01 -0.00 -0.04 0.93 0.95 3hs5A1 LEU 108 HD23 0.07 -0.00 -0.00 -0.04 0.89 0.92 3hs5A1 ARG 109 H 0.13 0.60 -0.00 -0.55 8.46 8.64 3hs5A1 ARG 109 HA 0.49 -0.02 0.35 -0.75 4.34 4.41 3hs5A1 ARG 109 HB2 0.19 0.22 0.07 -0.04 1.90 2.33 3hs5A1 ARG 109 HB3 0.12 0.01 0.09 -0.04 1.80 1.98 3hs5A1 ARG 109 HG2 0.16 -0.08 -0.13 -0.04 1.67 1.57 3hs5A1 ARG 109 HG3 0.10 -0.05 0.02 -0.04 1.67 1.71 3hs5A1 ARG 109 HD2 0.03 0.16 0.06 -0.04 3.22 3.43 3hs5A1 ARG 109 HD3 0.04 -0.08 -0.04 -0.04 3.22 3.10 3hs5A1 SER 110 H 0.05 0.59 -0.12 -0.55 8.46 8.43 3hs5A1 SER 110 HA 0.05 0.01 0.41 -0.75 4.49 4.22 3hs5A1 SER 110 HB2 -0.07 0.09 0.12 -0.04 3.95 4.04 3hs5A1 SER 110 HB3 -0.03 -0.05 0.00 -0.04 3.93 3.81 3hs5A1 LEU 111 H -0.18 0.37 -0.31 -0.55 8.37 7.70 3hs5A1 LEU 111 HA -0.13 0.02 0.46 -0.75 4.35 3.95 3hs5A1 LEU 111 HB2 -0.52 0.18 0.22 -0.04 1.64 1.49 3hs5A1 LEU 111 HB3 -0.18 0.06 0.16 -0.04 1.64 1.64 3hs5A1 LEU 111 HG -0.18 -0.01 0.05 -0.04 1.64 1.46 3hs5A1 LEU 111 HD13 -0.26 -0.02 -0.00 -0.04 0.93 0.61 3hs5A1 LEU 111 HD23 -0.08 -0.02 -0.09 -0.04 0.89 0.67 3hs5A1 ILE 112 H -0.02 0.68 -0.02 -0.55 8.25 8.34 3hs5A1 ILE 112 HA -0.04 0.01 0.46 -0.75 4.18 3.85 3hs5A1 ILE 112 HB -0.43 0.11 0.11 -0.04 1.89 1.64 3hs5A1 ILE 112 HG12 -0.04 0.25 0.08 -0.04 1.49 1.74 3hs5A1 ILE 112 HG13 0.01 -0.06 -0.03 -0.04 1.21 1.09 3hs5A1 ILE 112 HG23 -0.63 -0.02 -0.09 -0.04 0.93 0.15 3hs5A1 ILE 112 HD13 -0.09 -0.02 -0.02 -0.04 0.88 0.71 3hs5A1 MET 113 H 0.19 0.69 -0.08 -0.55 8.47 8.73 3hs5A1 MET 113 HA 0.23 -0.03 0.42 -0.75 4.52 4.39 3hs5A1 MET 113 HB2 0.37 0.10 0.10 -0.04 2.15 2.68 3hs5A1 MET 113 HB3 0.12 0.06 0.09 -0.04 2.03 2.27 3hs5A1 MET 113 HG2 0.09 0.06 0.08 -0.04 2.63 2.82 3hs5A1 MET 113 HG3 0.08 -0.01 -0.04 -0.04 2.56 2.55 3hs5A1 MET 113 HE3 0.10 0.06 0.01 -0.04 2.10 2.23 3hs5A1 LYS 114 H 0.04 0.60 -0.21 -0.55 8.42 8.29 3hs5A1 LYS 114 HA -0.01 0.01 0.47 -0.75 4.32 4.03 3hs5A1 LYS 114 HB2 -0.02 0.09 0.17 -0.04 1.87 2.08 3hs5A1 LYS 114 HB3 0.01 0.09 0.14 -0.04 1.79 1.99 3hs5A1 LYS 114 HG2 0.01 -0.06 -0.07 -0.04 1.46 1.30 3hs5A1 LYS 114 HG3 -0.02 0.05 0.09 -0.04 1.46 1.54 3hs5A1 LYS 114 HD2 0.00 0.12 0.06 -0.04 1.69 1.83 3hs5A1 LYS 114 HD3 -0.02 -0.05 0.04 -0.04 1.68 1.61 3hs5A1 TYR 115 H 0.13 0.45 -0.19 -0.55 8.29 8.12 3hs5A1 TYR 115 HA -0.01 0.00 0.50 -0.75 4.56 4.30 3hs5A1 TYR 115 HB2 -0.03 -0.04 0.12 -0.04 3.06 3.06 3hs5A1 TYR 115 HB3 -0.06 0.17 0.26 -0.04 2.98 3.31 3hs5A1 TYR 115 HD2 -0.04 0.02 0.00 -0.04 7.15 7.09 3hs5A1 TYR 115 HE2 -0.01 -0.00 -0.04 -0.04 6.85 6.76 3hs5A1 VAL 116 H 0.04 0.61 -0.01 -0.55 8.24 8.33 3hs5A1 VAL 116 HA -0.33 -0.01 0.33 -0.75 4.13 3.36 3hs5A1 VAL 116 HB 0.08 0.11 0.17 -0.04 2.12 2.44 3hs5A1 VAL 116 HG13 0.08 -0.02 -0.13 -0.04 0.97 0.87 3hs5A1 VAL 116 HG23 0.07 0.05 -0.02 -0.04 0.95 1.01 3hs5A1 LEU 117 H -0.02 0.61 -0.16 -0.55 8.37 8.25 3hs5A1 LEU 117 HA -0.03 -0.02 0.32 -0.75 4.35 3.87 3hs5A1 LEU 117 HB2 -0.06 0.11 0.12 -0.04 1.64 1.77 3hs5A1 LEU 117 HB3 -0.12 -0.04 -0.03 -0.04 1.64 1.41 3hs5A1 LEU 117 HG 0.00 0.20 0.07 -0.04 1.64 1.87 3hs5A1 LEU 117 HD13 -0.09 -0.02 -0.09 -0.04 0.93 0.69 3hs5A1 LEU 117 HD23 -0.01 -0.02 -0.02 -0.04 0.89 0.79 3hs5A1 THR 118 H -0.05 0.52 -0.14 -0.55 8.28 8.06 3hs5A1 THR 118 HA 0.02 0.06 0.44 -0.75 4.39 4.17 3hs5A1 THR 118 HB 0.04 -0.07 0.07 -0.04 4.32 4.32 3hs5A1 THR 118 HG23 0.01 0.00 0.04 -0.04 1.22 1.23 3hs5A1 SER 119 H -0.17 0.65 -0.05 -0.55 8.46 8.35 3hs5A1 SER 119 HA 0.08 0.03 0.48 -0.75 4.49 4.33 3hs5A1 SER 119 HB2 -0.10 -0.05 0.05 -0.04 3.95 3.82 3hs5A1 SER 119 HB3 -0.40 -0.03 0.10 -0.04 3.93 3.56 3hs5A1 ARG 120 H -0.06 0.35 -0.26 -0.55 8.46 7.95 3hs5A1 ARG 120 HA -0.10 0.14 0.65 -0.75 4.34 4.28 3hs5A1 ARG 120 HB2 -0.03 0.10 -0.00 -0.04 1.90 1.93 3hs5A1 ARG 120 HB3 -0.05 -0.09 0.01 -0.04 1.80 1.63 3hs5A1 ARG 120 HG2 -0.04 0.00 -0.10 -0.04 1.67 1.50 3hs5A1 ARG 120 HG3 -0.07 0.16 0.01 -0.04 1.67 1.73 3hs5A1 ARG 120 HD2 0.02 0.01 -0.09 -0.04 3.22 3.13 3hs5A1 ARG 120 HD3 0.01 -0.10 -0.15 -0.04 3.22 2.94 3hs5A1 SER 121 H 0.04 0.23 -0.44 -0.55 8.46 7.74 3hs5A1 SER 121 HA 0.04 0.04 0.37 -0.75 4.49 4.19 3hs5A1 SER 121 HB2 0.09 0.17 0.27 -0.04 3.95 4.43 3hs5A1 SER 121 HB3 0.14 0.02 0.12 -0.04 3.93 4.17 3hs5A1 TYR 122 H 0.20 0.23 -0.08 -0.55 8.29 8.09 3hs5A1 TYR 122 HA -0.03 0.07 0.25 -0.75 4.56 4.10 3hs5A1 TYR 122 HB2 -0.02 -0.02 0.11 -0.04 3.06 3.09 3hs5A1 TYR 122 HB3 -0.01 -0.01 0.12 -0.04 2.98 3.05 3hs5A1 TYR 122 HD2 -0.03 0.02 -0.06 -0.04 7.15 7.04 3hs5A1 TYR 122 HE2 -0.02 0.05 0.01 -0.04 6.85 6.85 3hs5A1 LEU 123 H -0.42 0.18 -0.72 -0.55 8.37 6.86 3hs5A1 LEU 123 HA -0.46 0.10 0.35 -0.75 4.35 3.59 3hs5A1 LEU 123 HB2 -0.33 0.13 0.04 -0.04 1.64 1.43 3hs5A1 LEU 123 HB3 -0.43 -0.04 0.07 -0.04 1.64 1.19 3hs5A1 LEU 123 HG -1.32 -0.07 -0.09 -0.04 1.64 0.13 3hs5A1 LEU 123 HD13 -0.19 0.01 0.04 -0.04 0.93 0.76 3hs5A1 LEU 123 HD23 -0.38 -0.01 0.03 -0.04 0.89 0.49 3hs5A1 ILE 124 H -0.15 0.37 -0.18 -0.55 8.25 7.74 3hs5A1 ILE 124 HA -0.12 0.07 0.84 -0.75 4.18 4.21 3hs5A1 ILE 124 HB -0.08 0.07 0.05 -0.04 1.89 1.90 3hs5A1 ILE 124 HG12 -0.16 0.06 -0.12 -0.04 1.49 1.23 3hs5A1 ILE 124 HG13 -0.10 0.03 -0.20 -0.04 1.21 0.89 3hs5A1 ILE 124 HG23 0.03 0.00 -0.12 -0.04 0.93 0.81 3hs5A1 ILE 124 HD13 -0.36 0.00 -0.21 -0.04 0.88 0.26 3hs5A1 ASP 125 H -0.05 0.08 0.13 -0.55 8.40 8.01 3hs5A1 ASP 125 HA -0.07 0.09 0.51 -0.75 4.63 4.41 3hs5A1 ASP 125 HB2 -0.06 -0.13 0.16 -0.04 2.71 2.65 3hs5A1 ASP 125 HB3 -0.09 0.10 -0.03 -0.04 2.70 2.64 3hs5A1 SER 126 H -0.07 0.21 0.02 -0.55 8.46 8.07 3hs5A1 SER 126 HA -0.07 -0.08 0.29 -0.75 4.49 3.88 3hs5A1 SER 126 HB2 -0.10 0.07 -0.38 -0.04 3.95 3.49 3hs5A1 SER 126 HB3 -0.14 0.01 0.02 -0.04 3.93 3.78 3hs5A1 PRO 127 HA -0.01 0.09 0.27 -0.51 4.44 4.27 3hs5A1 PRO 127 HB2 -0.07 0.02 -0.05 -0.04 2.28 2.13 3hs5A1 PRO 127 HB3 0.13 0.05 0.03 -0.04 2.02 2.18 3hs5A1 PRO 127 HG2 -0.09 -0.03 0.05 -0.04 2.03 1.93 3hs5A1 PRO 127 HG3 -0.00 0.01 0.04 -0.04 2.03 2.04 3hs5A1 PRO 127 HD2 -0.06 0.04 0.21 -0.04 3.68 3.83 3hs5A1 PRO 127 HD3 -0.05 0.11 0.28 -0.04 3.65 3.96 3hs5A1 PRO 128 HA -0.07 0.17 0.18 -0.51 4.44 4.20 3hs5A1 PRO 128 HB2 -0.09 0.02 -0.06 -0.04 2.28 2.10 3hs5A1 PRO 128 HB3 -0.07 0.03 0.05 -0.04 2.02 1.98 3hs5A1 PRO 128 HG2 -0.11 0.09 -0.05 -0.04 2.03 1.91 3hs5A1 PRO 128 HG3 -0.18 0.05 -0.00 -0.04 2.03 1.85 3hs5A1 PRO 128 HD2 0.10 0.07 0.10 -0.04 3.68 3.92 3hs5A1 PRO 128 HD3 -0.05 0.09 0.09 -0.04 3.65 3.74 3hs5A1 THR 129 H -0.14 0.09 0.03 -0.55 8.28 7.71 3hs5A1 THR 129 HA -0.24 0.14 0.82 -0.75 4.39 4.36 3hs5A1 THR 129 HB -1.01 -0.05 0.04 -0.04 4.32 3.25 3hs5A1 THR 129 HG23 -0.25 0.03 -0.15 -0.04 1.22 0.81 3hs5A1 TYR 130 H -0.40 0.17 0.12 -0.55 8.29 7.63 3hs5A1 TYR 130 HA -0.07 0.05 0.19 -0.75 4.56 3.98 3hs5A1 TYR 130 HB2 -0.03 0.02 -0.09 -0.04 3.06 2.92 3hs5A1 TYR 130 HB3 -0.04 0.24 0.17 -0.04 2.98 3.30 3hs5A1 TYR 130 HD2 -0.03 0.08 -0.33 -0.04 7.15 6.82 3hs5A1 TYR 130 HE2 0.00 -0.05 -0.10 -0.04 6.85 6.66 3hs5A1 ASN 131 H 0.06 0.33 0.32 -0.55 8.53 8.70 3hs5A1 ASN 131 HA 0.01 0.13 0.24 -0.75 4.76 4.38 3hs5A1 ASN 131 HB2 -0.12 0.10 0.30 -0.04 2.88 3.11 3hs5A1 ASN 131 HB3 -0.16 0.22 0.10 -0.04 2.79 2.91 3hs5A1 ASN 131 HD21 -1.01 -0.10 -0.05 -0.04 7.03 5.83 3hs5A1 ASN 131 HD22 -0.62 0.27 0.02 -0.04 7.74 7.37 3hs5A1 VAL 132 H -0.05 0.26 0.17 -0.55 8.24 8.07 3hs5A1 VAL 132 HA 0.01 0.19 0.35 -0.75 4.13 3.93 3hs5A1 VAL 132 HB -0.03 -0.00 0.16 -0.04 2.12 2.21 3hs5A1 VAL 132 HG13 -0.36 -0.01 -0.02 -0.04 0.97 0.54 3hs5A1 VAL 132 HG23 0.03 0.03 0.05 -0.04 0.95 1.02 3hs5A1 HIS 133 H -0.11 0.01 -0.27 -0.55 8.41 7.49 3hs5A1 HIS 133 HA -0.13 0.25 0.78 -0.75 4.63 4.78 3hs5A1 HIS 133 HB2 -0.11 -0.03 0.00 -0.04 3.26 3.08 3hs5A1 HIS 133 HB3 -0.46 -0.02 0.06 -0.04 3.20 2.74 3hs5A1 HIS 133 HD2 0.03 0.15 -0.16 -0.04 6.97 6.95 3hs5A1 HIS 133 HE1 0.36 0.01 -0.04 -0.04 7.75 8.04 3hs5A1 TYR 134 H -0.03 0.25 -0.26 -0.55 8.29 7.71 3hs5A1 TYR 134 HA -0.32 0.11 0.99 -0.75 4.56 4.59 3hs5A1 TYR 134 HB2 -0.24 -0.07 0.14 -0.04 3.06 2.85 3hs5A1 TYR 134 HB3 -0.48 0.28 0.09 -0.04 2.98 2.82 3hs5A1 TYR 134 HD2 -0.55 0.01 -0.08 -0.04 7.15 6.49 3hs5A1 TYR 134 HE2 0.07 0.01 -0.07 -0.04 6.85 6.82 3hs5A1 GLY 135 H -0.11 0.16 0.10 -0.55 8.43 8.03 3hs5A1 GLY 135 HA2 -0.18 0.16 0.77 -0.51 4.01 4.25 3hs5A1 GLY 135 HA3 -0.09 0.06 0.35 -0.51 4.01 3.82 3hs5A1 TYR 136 H -0.31 0.10 -0.14 -0.55 8.29 7.39 3hs5A1 TYR 136 HA 0.29 0.18 0.65 -0.75 4.56 4.93 3hs5A1 TYR 136 HB2 0.13 0.04 0.08 -0.04 3.06 3.27 3hs5A1 TYR 136 HB3 0.11 0.04 0.01 -0.04 2.98 3.11 3hs5A1 TYR 136 HD2 0.11 0.17 -0.18 -0.04 7.15 7.21 3hs5A1 TYR 136 HE2 0.14 -0.01 -0.00 -0.04 6.85 6.93 3hs5A1 LYS 137 H 0.28 0.13 0.08 -0.55 8.42 8.35 3hs5A1 LYS 137 HA -0.06 0.11 0.42 -0.75 4.32 4.04 3hs5A1 LYS 137 HB2 0.06 -0.03 0.09 -0.04 1.87 1.95 3hs5A1 LYS 137 HB3 -0.03 0.03 -0.03 -0.04 1.79 1.73 3hs5A1 LYS 137 HG2 -0.27 0.05 -0.01 -0.04 1.46 1.19 3hs5A1 LYS 137 HG3 -0.16 -0.04 -0.01 -0.04 1.46 1.22 3hs5A1 LYS 137 HD2 -0.01 -0.05 -0.00 -0.04 1.69 1.58 3hs5A1 LYS 137 HD3 -0.10 0.06 -0.03 -0.04 1.68 1.57 3hs5A1 LYS 137 HE2 -0.06 0.04 -0.02 -0.04 2.99 2.90 3hs5A1 LYS 137 HE3 -0.25 0.03 -0.02 -0.04 2.99 2.70 3hs5A1 SER 138 H -0.11 0.33 0.23 -0.55 8.46 8.36 3hs5A1 SER 138 HA 0.10 0.15 0.60 -0.75 4.49 4.58 3hs5A1 SER 138 HB2 -0.08 -0.08 0.13 -0.04 3.95 3.88 3hs5A1 SER 138 HB3 -0.01 0.20 -0.18 -0.04 3.93 3.90 3hs5A1 TRP 139 H 0.24 0.20 0.15 -0.55 7.97 8.00 3hs5A1 TRP 139 HA 0.05 0.17 0.53 -0.75 4.62 4.61 3hs5A1 TRP 139 HB2 0.00 0.03 0.12 -0.04 3.23 3.34 3hs5A1 TRP 139 HB3 0.01 -0.00 0.05 -0.04 3.23 3.24 3hs5A1 TRP 139 HD1 0.05 -0.01 -0.14 -0.04 7.22 7.08 3hs5A1 TRP 139 HE1 0.10 0.02 -0.01 -0.04 10.20 10.27 3hs5A1 TRP 139 HE3 -0.07 -0.03 -0.01 -0.04 7.59 7.43 3hs5A1 TRP 139 HZ2 0.17 0.02 -0.01 -0.04 7.44 7.58 3hs5A1 TRP 139 HZ3 -0.26 0.03 -0.02 -0.04 7.13 6.83 3hs5A1 TRP 139 HH2 -0.09 0.03 -0.02 -0.04 7.19 7.07 3hs5A1 GLU 140 H -0.06 0.06 -0.14 -0.55 8.60 7.91 3hs5A1 GLU 140 HA -0.01 0.10 0.47 -0.75 4.29 4.09 3hs5A1 GLU 140 HB2 0.01 0.00 0.07 -0.04 2.09 2.13 3hs5A1 GLU 140 HB3 -0.52 -0.02 0.05 -0.04 1.99 1.45 3hs5A1 GLU 140 HG2 0.25 0.02 -0.06 -0.04 2.34 2.51 3hs5A1 GLU 140 HG3 0.00 0.06 -0.27 -0.04 2.34 2.09 3hs5A1 ALA 141 H -0.51 -0.00 -0.24 -0.55 8.40 7.10 3hs5A1 ALA 141 HA -0.39 0.05 0.41 -0.75 4.34 3.66 3hs5A1 ALA 141 HB3 -0.29 0.03 0.08 -0.04 1.41 1.18 3hs5A1 PHE 142 H -0.20 0.35 -0.08 -0.55 8.34 7.86 3hs5A1 PHE 142 HA -0.33 0.16 0.38 -0.75 4.62 4.08 3hs5A1 PHE 142 HB2 -0.41 0.04 0.07 -0.04 3.15 2.80 3hs5A1 PHE 142 HB3 -0.83 -0.09 0.14 -0.04 3.06 2.23 3hs5A1 PHE 142 HD2 -1.17 0.05 -0.06 -0.04 7.28 6.06 3hs5A1 PHE 142 HE2 -0.31 -0.04 -0.04 -0.04 7.38 6.95 3hs5A1 PHE 142 HZ -0.15 -0.02 -0.03 -0.04 7.32 7.07 3hs5A1 SER 143 H -0.47 0.39 -0.24 -0.55 8.46 7.60 3hs5A1 SER 143 HA -0.83 0.12 0.31 -0.75 4.49 3.32 3hs5A1 SER 143 HB2 -0.08 -0.09 0.06 -0.04 3.95 3.80 3hs5A1 SER 143 HB3 -0.75 -0.05 0.07 -0.04 3.93 3.15 3hs5A1 ASN 144 H -0.18 0.48 -0.16 -0.55 8.53 8.12 3hs5A1 ASN 144 HA 0.00 -0.02 0.60 -0.75 4.76 4.58 3hs5A1 ASN 144 HB2 0.13 -0.02 0.14 -0.04 2.88 3.09 3hs5A1 ASN 144 HB3 0.29 0.09 0.20 -0.04 2.79 3.32 3hs5A1 ASN 144 HD21 0.18 -0.02 -0.01 -0.04 7.03 7.14 3hs5A1 ASN 144 HD22 0.31 0.00 0.00 -0.04 7.74 8.01 3hs5A1 LEU 145 H -0.03 0.17 0.27 -0.55 8.37 8.24 3hs5A1 LEU 145 HA -0.07 0.23 0.38 -0.75 4.35 4.14 3hs5A1 LEU 145 HB2 0.00 -0.11 0.12 -0.04 1.64 1.61 3hs5A1 LEU 145 HB3 0.09 0.05 0.17 -0.04 1.64 1.91 3hs5A1 LEU 145 HG -0.13 0.11 0.13 -0.04 1.64 1.71 3hs5A1 LEU 145 HD13 -0.04 0.00 0.08 -0.04 0.93 0.93 3hs5A1 LEU 145 HD23 -0.25 0.03 -0.01 -0.04 0.89 0.62 3hs5A1 SER 146 H 0.07 -0.02 -0.32 -0.55 8.46 7.64 3hs5A1 SER 146 HA -0.01 0.17 0.45 -0.75 4.49 4.35 3hs5A1 SER 146 HB2 0.04 -0.03 0.02 -0.04 3.95 3.94 3hs5A1 SER 146 HB3 0.06 -0.04 0.05 -0.04 3.93 3.97 3hs5A1 TYR 147 H 0.20 0.28 -0.29 -0.55 8.29 7.93 3hs5A1 TYR 147 HA -0.36 0.09 0.90 -0.75 4.56 4.43 3hs5A1 TYR 147 HB2 -0.10 0.19 0.07 -0.04 3.06 3.17 3hs5A1 TYR 147 HB3 -0.17 0.21 0.04 -0.04 2.98 3.02 3hs5A1 TYR 147 HD2 -0.29 0.10 0.07 -0.04 7.15 6.98 3hs5A1 TYR 147 HE2 -0.21 -0.04 -0.04 -0.04 6.85 6.52 3hs5A1 TYR 148 H -0.07 0.38 0.22 -0.55 8.29 8.27 3hs5A1 TYR 148 HA 0.14 0.18 0.76 -0.75 4.56 4.89 3hs5A1 TYR 148 HB2 -0.02 -0.03 0.13 -0.04 3.06 3.10 3hs5A1 TYR 148 HB3 0.03 -0.09 0.05 -0.04 2.98 2.92 3hs5A1 TYR 148 HD2 0.02 0.09 -0.16 -0.04 7.15 7.07 3hs5A1 TYR 148 HE2 0.03 0.10 -0.05 -0.04 6.85 6.88 3hs5A1 THR 149 H 0.17 0.42 0.08 -0.55 8.28 8.40 3hs5A1 THR 149 HA 0.02 0.26 0.70 -0.75 4.39 4.61 3hs5A1 THR 149 HB -0.04 0.06 -0.05 -0.04 4.32 4.25 3hs5A1 THR 149 HG23 0.06 -0.02 -0.39 -0.04 1.22 0.83 3hs5A1 ARG 150 H 0.06 0.58 0.13 -0.55 8.46 8.68 3hs5A1 ARG 150 HA 0.07 -0.10 0.90 -0.75 4.34 4.46 3hs5A1 ARG 150 HB2 0.10 -0.02 -0.42 -0.04 1.90 1.52 3hs5A1 ARG 150 HB3 0.07 0.31 -0.18 -0.04 1.80 1.96 3hs5A1 ARG 150 HG2 0.06 0.04 -0.50 -0.04 1.67 1.23 3hs5A1 ARG 150 HG3 0.05 0.00 -0.39 -0.04 1.67 1.28 3hs5A1 ARG 150 HD2 -0.04 -0.20 0.08 -0.04 3.22 3.03 3hs5A1 ARG 150 HD3 0.07 -0.06 -0.04 -0.04 3.22 3.15 3hs5A1 ALA 151 H 0.19 -0.00 0.12 -0.55 8.40 8.16 3hs5A1 ALA 151 HA 0.18 0.13 0.62 -0.75 4.34 4.52 3hs5A1 ALA 151 HB3 0.48 0.01 0.08 -0.04 1.41 1.94 3hs5A1 LEU 152 H 0.15 0.01 -0.02 -0.55 8.37 7.97 3hs5A1 LEU 152 HA -0.05 0.27 0.71 -0.75 4.35 4.52 3hs5A1 LEU 152 HB2 -0.37 -0.16 0.04 -0.04 1.64 1.10 3hs5A1 LEU 152 HB3 -0.28 0.15 -0.00 -0.04 1.64 1.47 3hs5A1 LEU 152 HG -0.31 -0.05 -0.20 -0.04 1.64 1.04 3hs5A1 LEU 152 HD13 -1.02 0.01 -0.21 -0.04 0.93 -0.33 3hs5A1 LEU 152 HD23 -0.19 0.05 0.10 -0.04 0.89 0.81 3hs5A1 PRO 153 HA -0.17 0.09 0.41 -0.51 4.44 4.26 3hs5A1 PRO 153 HB2 -0.32 0.11 0.09 -0.04 2.28 2.13 3hs5A1 PRO 153 HB3 -0.90 -0.01 0.18 -0.04 2.02 1.25 3hs5A1 PRO 153 HG2 -0.29 0.02 0.05 -0.04 2.03 1.76 3hs5A1 PRO 153 HG3 -0.56 0.04 0.12 -0.04 2.03 1.59 3hs5A1 PRO 153 HD2 -0.24 0.07 0.20 -0.04 3.68 3.67 3hs5A1 PRO 153 HD3 -0.45 0.14 0.13 -0.04 3.65 3.44 3hs5A1 PRO 154 HA 0.01 0.21 0.63 -0.51 4.44 4.79 3hs5A1 PRO 154 HB2 0.01 0.10 -0.08 -0.04 2.28 2.27 3hs5A1 PRO 154 HB3 0.04 0.14 0.11 -0.04 2.02 2.27 3hs5A1 PRO 154 HG2 -0.04 -0.15 -0.12 -0.04 2.03 1.68 3hs5A1 PRO 154 HG3 -0.00 0.20 -0.07 -0.04 2.03 2.11 3hs5A1 PRO 154 HD2 -0.09 -0.04 0.07 -0.04 3.68 3.58 3hs5A1 PRO 154 HD3 -0.01 0.16 0.01 -0.04 3.65 3.76 3hs5A1 VAL 155 H 0.02 0.62 0.22 -0.55 8.24 8.55 3hs5A1 VAL 155 HA -0.06 -0.04 0.56 -0.75 4.13 3.84 3hs5A1 VAL 155 HB 0.02 -0.01 0.08 -0.04 2.12 2.17 3hs5A1 VAL 155 HG13 -0.02 0.04 -0.15 -0.04 0.97 0.81 3hs5A1 VAL 155 HG23 0.01 0.03 -0.11 -0.04 0.95 0.84 3hs5A1 ALA 156 H -0.09 0.04 0.12 -0.55 8.40 7.93 3hs5A1 ALA 156 HA -0.04 0.09 0.38 -0.75 4.34 4.01 3hs5A1 ALA 156 HB3 -0.08 -0.03 0.10 -0.04 1.41 1.36 3hs5A1 ASP 157 H 0.02 0.08 0.17 -0.55 8.40 8.13 3hs5A1 ASP 157 HA 0.03 0.21 0.33 -0.75 4.63 4.44 3hs5A1 ASP 157 HB2 0.04 -0.08 0.10 -0.04 2.71 2.73 3hs5A1 ASP 157 HB3 0.03 0.02 0.07 -0.04 2.70 2.79 3hs5A1 ASP 158 H 0.07 -0.07 -0.25 -0.55 8.40 7.60 3hs5A1 ASP 158 HA 0.05 0.27 0.75 -0.75 4.63 4.96 3hs5A1 ASP 158 HB2 0.10 0.07 0.14 -0.04 2.71 2.99 3hs5A1 ASP 158 HB3 0.08 -0.03 0.01 -0.04 2.70 2.72 3hs5A1 CYS 159 H 0.02 0.29 -0.34 -0.55 8.50 7.93 3hs5A1 CYS 159 HA -0.14 -0.00 0.45 -0.75 4.58 4.14 3hs5A1 CYS 159 HB2 -0.03 0.16 0.05 -0.04 2.97 3.11 3hs5A1 CYS 159 HB3 -0.10 0.16 0.14 -0.04 2.97 3.13 3hs5A1 PRO 160 HA -0.02 0.04 0.37 -0.51 4.44 4.32 3hs5A1 PRO 160 HB2 -0.04 -0.00 -0.02 -0.04 2.28 2.18 3hs5A1 PRO 160 HB3 -0.02 -0.04 0.12 -0.04 2.02 2.04 3hs5A1 PRO 160 HG2 -0.16 0.12 0.22 -0.04 2.03 2.17 3hs5A1 PRO 160 HG3 -0.27 -0.06 0.10 -0.04 2.03 1.76 3hs5A1 PRO 160 HD2 -0.44 0.08 0.22 -0.04 3.68 3.50 3hs5A1 PRO 160 HD3 -0.79 0.10 0.21 -0.04 3.65 3.13 3hs5A1 THR 161 H -0.06 0.47 -0.16 -0.55 8.28 7.97 3hs5A1 THR 161 HA -0.00 0.28 0.78 -0.75 4.39 4.69 3hs5A1 THR 161 HB 0.01 0.11 -0.19 -0.04 4.32 4.21 3hs5A1 THR 161 HG23 -0.00 -0.01 -0.56 -0.04 1.22 0.61 3hs5A1 PRO 162 HA 0.02 0.14 0.32 -0.51 4.44 4.41 3hs5A1 PRO 162 HB2 0.05 -0.02 -0.04 -0.04 2.28 2.23 3hs5A1 PRO 162 HB3 0.04 -0.00 0.07 -0.04 2.02 2.09 3hs5A1 PRO 162 HG2 0.03 -0.16 -0.08 -0.04 2.03 1.78 3hs5A1 PRO 162 HG3 0.02 0.08 0.07 -0.04 2.03 2.16 3hs5A1 PRO 162 HD2 0.03 0.16 0.00 -0.04 3.68 3.83 3hs5A1 PRO 162 HD3 0.01 0.36 0.11 -0.04 3.65 4.09 3hs5A1 MET 163 H 0.03 0.15 -0.34 -0.55 8.47 7.77 3hs5A1 MET 163 HA 0.03 0.25 0.71 -0.75 4.52 4.76 3hs5A1 MET 163 HB2 0.04 0.04 0.00 -0.04 2.15 2.19 3hs5A1 MET 163 HB3 0.03 -0.06 0.17 -0.04 2.03 2.13 3hs5A1 MET 163 HG2 0.08 -0.02 -0.09 -0.04 2.63 2.57 3hs5A1 MET 163 HG3 0.08 -0.06 0.03 -0.04 2.56 2.58 3hs5A1 MET 163 HE3 0.13 -0.02 -0.20 -0.04 2.10 1.96 3hs5A1 GLY 164 H -0.01 0.56 -0.48 -0.55 8.43 7.95 3hs5A1 GLY 164 HA2 -0.05 -0.02 0.33 -0.51 4.01 3.76 3hs5A1 GLY 164 HA3 -0.04 0.28 0.60 -0.51 4.01 4.34 3hs5A1 VAL 165 H -0.03 0.09 -0.07 -0.55 8.24 7.67 3hs5A1 VAL 165 HA -0.07 0.23 0.83 -0.75 4.13 4.36 3hs5A1 VAL 165 HB -0.01 0.00 0.03 -0.04 2.12 2.10 3hs5A1 VAL 165 HG13 -0.09 -0.00 -0.25 -0.04 0.97 0.59 3hs5A1 VAL 165 HG23 -0.01 -0.00 -0.11 -0.04 0.95 0.79 3hs5A1 LYS 166 H -0.01 -0.03 -0.05 -0.55 8.42 7.78 3hs5A1 LYS 166 HA 0.01 0.13 0.52 -0.75 4.32 4.22 3hs5A1 LYS 166 HB2 0.01 0.04 -0.06 -0.04 1.87 1.82 3hs5A1 LYS 166 HB3 0.03 -0.08 -0.05 -0.04 1.79 1.65 3hs5A1 LYS 166 HG2 0.01 0.02 -0.04 -0.04 1.46 1.40 3hs5A1 LYS 166 HG3 -0.00 -0.00 -0.05 -0.04 1.46 1.36 3hs5A1 LYS 166 HD2 -0.00 0.06 -0.07 -0.04 1.69 1.64 3hs5A1 LYS 166 HD3 0.01 -0.10 -0.05 -0.04 1.68 1.49 3hs5A1 LYS 166 HE2 -0.01 0.07 -0.02 -0.04 2.99 2.99 3hs5A1 LYS 166 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.93 3hs5A1 GLY 167 H 0.04 0.02 0.08 -0.55 8.43 8.02 3hs5A1 GLY 167 HA2 0.06 -0.04 0.32 -0.51 4.01 3.83 3hs5A1 GLY 167 HA3 0.06 0.12 0.42 -0.51 4.01 4.10 3hs5A1 ASN 168 H 0.04 0.12 0.12 -0.55 8.53 8.27 3hs5A1 ASN 168 HA 0.02 0.08 0.57 -0.75 4.76 4.67 3hs5A1 ASN 168 HB2 0.01 0.28 0.12 -0.04 2.88 3.24 3hs5A1 ASN 168 HB3 0.00 -0.14 0.16 -0.04 2.79 2.77 3hs5A1 ASN 168 HD21 0.02 -0.01 -0.05 -0.04 7.03 6.94 3hs5A1 ASN 168 HD22 0.02 0.03 -0.03 -0.04 7.74 7.72 3hs5A1 LYS 169 H 0.01 0.05 0.15 -0.55 8.42 8.07 3hs5A1 LYS 169 HA 0.01 0.22 0.45 -0.75 4.32 4.24 3hs5A1 LYS 169 HB2 0.01 -0.06 0.17 -0.04 1.87 1.94 3hs5A1 LYS 169 HB3 0.00 -0.05 0.03 -0.04 1.79 1.73 3hs5A1 GLU 170 H -0.00 0.03 -0.16 -0.55 8.60 7.92 3hs5A1 GLU 170 HA 0.00 0.20 0.89 -0.75 4.29 4.63 3hs5A1 GLU 170 HB2 -0.01 -0.10 0.02 -0.04 2.09 1.95 3hs5A1 GLU 170 HB3 -0.02 0.17 -0.01 -0.04 1.99 2.10 3hs5A1 GLU 170 HG2 -0.00 0.09 0.02 -0.04 2.34 2.41 3hs5A1 GLU 170 HG3 -0.00 -0.05 -0.18 -0.04 2.34 2.07 3hs5A1 LEU 171 H 0.00 0.11 0.09 -0.55 8.37 8.03 3hs5A1 LEU 171 HA -0.02 0.15 0.68 -0.75 4.35 4.41 3hs5A1 LEU 171 HB2 0.01 -0.05 0.08 -0.04 1.64 1.64 3hs5A1 LEU 171 HB3 0.01 0.04 0.05 -0.04 1.64 1.69 3hs5A1 LEU 171 HG 0.06 0.00 -0.01 -0.04 1.64 1.66 3hs5A1 LEU 171 HD13 0.08 -0.00 -0.03 -0.04 0.93 0.94 3hs5A1 LEU 171 HD23 0.20 -0.00 0.03 -0.04 0.89 1.08 3hs5A1 PRO 172 HA -0.12 0.04 0.44 -0.51 4.44 4.29 3hs5A1 PRO 172 HB2 -0.24 -0.02 -0.10 -0.04 2.28 1.87 3hs5A1 PRO 172 HB3 -0.29 0.17 0.10 -0.04 2.02 1.96 3hs5A1 PRO 172 HG2 -0.64 -0.06 -0.05 -0.04 2.03 1.25 3hs5A1 PRO 172 HG3 -1.38 -0.01 -0.19 -0.04 2.03 0.40 3hs5A1 PRO 172 HD2 -0.30 0.04 0.17 -0.04 3.68 3.56 3hs5A1 PRO 172 HD3 -0.35 0.30 0.13 -0.04 3.65 3.69 3hs5A1 ASP 173 H -0.07 0.13 0.14 -0.55 8.40 8.06 3hs5A1 ASP 173 HA -0.03 0.08 0.49 -0.75 4.63 4.41 3hs5A1 ASP 173 HB2 -0.04 0.13 0.18 -0.04 2.71 2.94 3hs5A1 ASP 173 HB3 -0.04 -0.09 0.15 -0.04 2.70 2.69 3hs5A1 SER 174 H -0.02 0.20 0.21 -0.55 8.46 8.31 3hs5A1 SER 174 HA 0.01 0.13 0.37 -0.75 4.49 4.24 3hs5A1 SER 174 HB2 0.02 0.01 0.09 -0.04 3.95 4.03 3hs5A1 SER 174 HB3 0.01 0.12 0.10 -0.04 3.93 4.11 3hs5A1 LYS 175 H -0.01 0.10 -0.15 -0.55 8.42 7.81 3hs5A1 LYS 175 HA 0.00 0.10 0.48 -0.75 4.32 4.15 3hs5A1 LYS 175 HB2 -0.01 0.03 0.08 -0.04 1.87 1.93 3hs5A1 LYS 175 HB3 -0.01 -0.01 0.03 -0.04 1.79 1.76 3hs5A1 LYS 175 HG2 -0.00 0.00 -0.14 -0.04 1.46 1.27 3hs5A1 LYS 175 HG3 -0.00 0.01 0.02 -0.04 1.46 1.45 3hs5A1 LYS 175 HD2 -0.01 0.02 -0.02 -0.04 1.69 1.64 3hs5A1 LYS 175 HD3 -0.01 -0.00 -0.04 -0.04 1.68 1.59 3hs5A1 GLU 176 H -0.02 0.13 -0.32 -0.55 8.60 7.84 3hs5A1 GLU 176 HA -0.02 0.06 0.43 -0.75 4.29 4.02 3hs5A1 GLU 176 HB2 -0.04 0.09 0.10 -0.04 2.09 2.20 3hs5A1 GLU 176 HB3 -0.04 0.05 -0.12 -0.04 1.99 1.84 3hs5A1 GLU 176 HG2 -0.03 0.02 0.02 -0.04 2.34 2.31 3hs5A1 GLU 176 HG3 -0.03 -0.06 0.01 -0.04 2.34 2.22 3hs5A1 VAL 177 H -0.01 0.40 -0.19 -0.55 8.24 7.88 3hs5A1 VAL 177 HA 0.02 0.05 0.39 -0.75 4.13 3.83 3hs5A1 VAL 177 HB 0.05 0.08 0.11 -0.04 2.12 2.32 3hs5A1 VAL 177 HG13 0.13 -0.01 -0.15 -0.04 0.97 0.90 3hs5A1 VAL 177 HG23 -0.01 0.04 -0.08 -0.04 0.95 0.85 3hs5A1 LEU 178 H 0.03 0.54 -0.17 -0.55 8.37 8.22 3hs5A1 LEU 178 HA 0.04 -0.00 0.30 -0.75 4.35 3.94 3hs5A1 LEU 178 HB2 0.04 0.03 0.09 -0.04 1.64 1.77 3hs5A1 LEU 178 HB3 0.02 0.10 0.22 -0.04 1.64 1.94 3hs5A1 LEU 178 HG 0.02 -0.01 -0.25 -0.04 1.64 1.37 3hs5A1 LEU 178 HD13 0.05 -0.02 -0.09 -0.04 0.93 0.84 3hs5A1 LEU 178 HD23 0.01 -0.02 -0.02 -0.04 0.89 0.82 3hs5A1 GLU 179 H 0.01 0.63 -0.06 -0.55 8.60 8.63 3hs5A1 GLU 179 HA 0.01 0.00 0.37 -0.75 4.29 3.91 3hs5A1 GLU 179 HB2 -0.00 0.03 0.13 -0.04 2.09 2.20 3hs5A1 GLU 179 HB3 -0.00 -0.00 0.00 -0.04 1.99 1.95 3hs5A1 GLU 179 HG2 0.00 -0.03 0.02 -0.04 2.34 2.29 3hs5A1 GLU 179 HG3 0.00 0.10 0.09 -0.04 2.34 2.49 3hs5A1 LYS 180 H -0.00 0.54 -0.15 -0.55 8.42 8.25 3hs5A1 LYS 180 HA -0.01 0.05 0.42 -0.75 4.32 4.04 3hs5A1 LYS 180 HB2 -0.01 0.16 0.14 -0.04 1.87 2.12 3hs5A1 LYS 180 HB3 -0.01 -0.08 -0.01 -0.04 1.79 1.64 3hs5A1 LYS 180 HG2 -0.02 -0.03 0.02 -0.04 1.46 1.39 3hs5A1 LYS 180 HG3 -0.01 -0.04 0.03 -0.04 1.46 1.39 3hs5A1 LYS 180 HD2 -0.03 0.02 -0.08 -0.04 1.69 1.56 3hs5A1 LYS 180 HD3 -0.03 -0.04 -0.03 -0.04 1.68 1.54 3hs5A1 LYS 180 HE2 -0.02 -0.03 -0.01 -0.04 2.99 2.89 3hs5A1 LYS 180 HE3 -0.03 -0.02 -0.03 -0.04 2.99 2.87 3hs5A1 VAL 181 H 0.01 0.44 -0.05 -0.55 8.24 8.09 3hs5A1 VAL 181 HA -0.01 0.25 1.05 -0.75 4.13 4.67 3hs5A1 VAL 181 HB -0.01 -0.02 0.10 -0.04 2.12 2.14 3hs5A1 VAL 181 HG13 -0.00 -0.03 -0.15 -0.04 0.97 0.74 3hs5A1 VAL 181 HG23 0.02 0.04 -0.09 -0.04 0.95 0.88 3hs5A1 LEU 182 H 0.01 0.42 0.11 -0.55 8.37 8.36 3hs5A1 LEU 182 HA -0.01 0.12 1.10 -0.75 4.35 4.81 3hs5A1 LEU 182 HB2 0.03 0.08 0.18 -0.04 1.64 1.89 3hs5A1 LEU 182 HB3 0.03 -0.06 0.01 -0.04 1.64 1.57 3hs5A1 LEU 182 HG 0.02 0.02 -0.21 -0.04 1.64 1.42 3hs5A1 LEU 182 HD13 0.04 -0.03 -0.09 -0.04 0.93 0.81 3hs5A1 LEU 182 HD23 -0.07 0.03 -0.18 -0.04 0.89 0.64 3hs5A1 LEU 183 H 0.01 0.37 0.15 -0.55 8.37 8.35 3hs5A1 LEU 183 HA 0.02 0.11 0.32 -0.75 4.35 4.05 3hs5A1 LEU 183 HB2 0.01 0.09 0.07 -0.04 1.64 1.77 3hs5A1 LEU 183 HB3 0.01 0.07 -0.06 -0.04 1.64 1.62 3hs5A1 LEU 183 HG 0.01 -0.00 -0.24 -0.04 1.64 1.37 3hs5A1 LEU 183 HD13 0.00 -0.02 -0.03 -0.04 0.93 0.84 3hs5A1 LEU 183 HD23 0.01 -0.03 -0.15 -0.04 0.89 0.69 3hs5A1 ARG 184 H 0.03 0.62 0.04 -0.55 8.46 8.60 3hs5A1 ARG 184 HA 0.02 0.40 0.11 -0.75 4.34 4.12 3hs5A1 ARG 184 HB2 0.06 -0.00 -0.60 -0.04 1.90 1.31 3hs5A1 ARG 184 HB3 0.05 -0.19 -0.15 -0.04 1.80 1.46 3hs5A1 ARG 184 HG2 0.07 -0.03 -0.75 -0.04 1.67 0.92 3hs5A1 ARG 184 HG3 0.06 0.26 -0.37 -0.04 1.67 1.58 3hs5A1 ARG 184 HD2 0.12 -0.14 -0.19 -0.04 3.22 2.96 3hs5A1 ARG 184 HD3 0.23 -0.14 -0.21 -0.04 3.22 3.07 3hs5A1 ARG 185 H 0.01 0.32 0.16 -0.55 8.46 8.40 3hs5A1 ARG 185 HA 0.01 0.09 0.77 -0.75 4.34 4.46 3hs5A1 ARG 185 HB2 0.00 0.04 0.23 -0.04 1.90 2.13 3hs5A1 ARG 185 HB3 0.01 -0.05 0.04 -0.04 1.80 1.75 3hs5A1 ARG 185 HG2 -0.00 -0.05 0.03 -0.04 1.67 1.61 3hs5A1 ARG 185 HG3 0.00 -0.04 0.03 -0.04 1.67 1.62 3hs5A1 ARG 185 HD2 0.00 0.06 -0.31 -0.04 3.22 2.93 3hs5A1 ARG 185 HD3 -0.00 0.07 0.02 -0.04 3.22 3.27 3hs5A1 GLU 186 H 0.01 0.24 0.17 -0.55 8.60 8.48 3hs5A1 GLU 186 HA 0.06 0.10 0.81 -0.75 4.29 4.50 3hs5A1 GLU 186 HB2 0.02 -0.05 -0.04 -0.04 2.09 1.98 3hs5A1 GLU 186 HB3 0.01 0.04 0.05 -0.04 1.99 2.04 3hs5A1 GLU 186 HG2 0.05 0.22 -0.09 -0.04 2.34 2.48 3hs5A1 GLU 186 HG3 0.05 -0.07 0.08 -0.04 2.34 2.36 3hs5A1 PHE 187 H 0.18 0.05 0.09 -0.55 8.34 8.11 3hs5A1 PHE 187 HA -0.01 0.08 0.40 -0.75 4.62 4.34 3hs5A1 PHE 187 HB2 -0.01 -0.07 0.10 -0.04 3.15 3.12 3hs5A1 PHE 187 HB3 -0.02 -0.04 0.12 -0.04 3.06 3.08 3hs5A1 PHE 187 HD2 -0.02 -0.00 -0.06 -0.04 7.28 7.15 3hs5A1 PHE 187 HE2 -0.03 0.07 -0.16 -0.04 7.38 7.22 3hs5A1 PHE 187 HZ -0.05 0.09 -0.57 -0.04 7.32 6.75 3hs5A1 ILE 188 H -0.37 0.22 0.23 -0.55 8.25 7.79 3hs5A1 ILE 188 HA -0.30 0.15 0.92 -0.75 4.18 4.20 3hs5A1 ILE 188 HB -0.21 0.04 0.20 -0.04 1.89 1.88 3hs5A1 ILE 188 HG12 -0.11 -0.08 -0.00 -0.04 1.49 1.26 3hs5A1 ILE 188 HG13 -0.11 0.11 -0.11 -0.04 1.21 1.06 3hs5A1 ILE 188 HG23 -0.17 0.01 -0.04 -0.04 0.93 0.68 3hs5A1 ILE 188 HD13 -0.07 0.00 -0.02 -0.04 0.88 0.75 3hs5A1 PRO 189 HA -0.55 0.19 0.53 -0.51 4.44 4.10 3hs5A1 PRO 189 HB2 -0.09 0.05 -0.13 -0.04 2.28 2.06 3hs5A1 PRO 189 HB3 0.01 0.00 0.03 -0.04 2.02 2.02 3hs5A1 PRO 189 HG2 -0.07 0.00 0.02 -0.04 2.03 1.94 3hs5A1 PRO 189 HG3 -0.03 0.01 0.01 -0.04 2.03 1.98 3hs5A1 PRO 189 HD2 -0.19 0.07 0.18 -0.04 3.68 3.70 3hs5A1 PRO 189 HD3 -0.24 0.28 0.21 -0.04 3.65 3.86 3hs5A1 ASP 190 H -0.13 0.69 0.24 -0.55 8.40 8.66 3hs5A1 ASP 190 HA -0.19 0.15 0.53 -0.75 4.63 4.36 3hs5A1 ASP 190 HB2 -0.16 0.23 -0.30 -0.04 2.71 2.44 3hs5A1 ASP 190 HB3 -0.10 0.03 0.12 -0.04 2.70 2.71 3hs5A1 PRO 191 HA -0.08 0.08 0.41 -0.51 4.44 4.33 3hs5A1 PRO 191 HB2 -0.09 0.08 -0.00 -0.04 2.28 2.23 3hs5A1 PRO 191 HB3 -0.09 0.00 0.07 -0.04 2.02 1.96 3hs5A1 PRO 191 HG2 -0.15 0.06 -0.53 -0.04 2.03 1.37 3hs5A1 PRO 191 HG3 -0.11 0.04 -0.07 -0.04 2.03 1.85 3hs5A1 PRO 191 HD2 -0.19 0.01 0.09 -0.04 3.68 3.55 3hs5A1 PRO 191 HD3 -0.15 0.35 0.21 -0.04 3.65 4.02 3hs5A1 GLN 192 H -0.18 0.02 -0.34 -0.55 8.47 7.41 3hs5A1 GLN 192 HA -0.14 0.23 0.65 -0.75 4.36 4.35 3hs5A1 GLN 192 HB2 -0.32 -0.14 0.07 -0.04 2.15 1.72 3hs5A1 GLN 192 HB3 -0.36 0.00 0.03 -0.04 2.02 1.64 3hs5A1 GLN 192 HG2 -0.24 0.07 0.12 -0.04 2.40 2.31 3hs5A1 GLN 192 HG3 -0.22 0.22 0.17 -0.04 2.39 2.53 3hs5A1 GLN 192 HE21 -0.47 0.46 0.04 -0.04 6.97 6.95 3hs5A1 GLN 192 HE22 -0.52 0.07 0.05 -0.04 7.69 7.25 3hs5A1 GLY 193 H -0.09 0.35 -0.42 -0.55 8.43 7.72 3hs5A1 GLY 193 HA2 -0.02 0.12 0.27 -0.51 4.01 3.87 3hs5A1 GLY 193 HA3 0.00 -0.01 0.37 -0.51 4.01 3.86 3hs5A1 SER 194 H -0.08 0.00 -0.17 -0.55 8.46 7.66 3hs5A1 SER 194 HA -0.19 0.26 0.59 -0.75 4.49 4.39 3hs5A1 SER 194 HB2 -0.13 -0.01 0.07 -0.04 3.95 3.84 3hs5A1 SER 194 HB3 -0.28 0.01 0.09 -0.04 3.93 3.70 3hs5A1 ASN 195 H 0.03 0.31 0.27 -0.55 8.53 8.59 3hs5A1 ASN 195 HA 0.07 0.31 1.01 -0.75 4.76 5.40 3hs5A1 ASN 195 HB2 0.12 0.22 0.16 -0.04 2.88 3.34 3hs5A1 ASN 195 HB3 0.07 0.04 -0.21 -0.04 2.79 2.66 3hs5A1 ASN 195 HD21 0.09 0.56 -0.07 -0.04 7.03 7.57 3hs5A1 ASN 195 HD22 0.09 0.47 -0.18 -0.04 7.74 8.09 3hs5A1 MET 196 H 0.11 0.63 0.31 -0.55 8.47 8.98 3hs5A1 MET 196 HA -0.05 0.02 0.55 -0.75 4.52 4.28 3hs5A1 MET 196 HB2 0.05 0.10 0.27 -0.04 2.15 2.53 3hs5A1 MET 196 HB3 -0.50 -0.11 0.08 -0.04 2.03 1.45 3hs5A1 MET 196 HG2 -0.01 0.24 -0.02 -0.04 2.63 2.80 3hs5A1 MET 196 HG3 -0.03 -0.06 0.05 -0.04 2.56 2.48 3hs5A1 MET 196 HE3 -0.02 0.09 -0.18 -0.04 2.10 1.95 3hs5A1 MET 197 H 0.26 0.39 -0.17 -0.55 8.47 8.41 3hs5A1 MET 197 HA 0.46 0.05 0.50 -0.75 4.52 4.78 3hs5A1 MET 197 HB2 0.30 0.14 0.06 -0.04 2.15 2.61 3hs5A1 MET 197 HB3 0.39 -0.03 -0.07 -0.04 2.03 2.27 3hs5A1 MET 197 HG2 0.27 -0.04 -0.31 -0.04 2.63 2.51 3hs5A1 MET 197 HG3 0.12 0.03 0.02 -0.04 2.56 2.69 3hs5A1 MET 197 HE3 0.02 -0.00 -0.05 -0.04 2.10 2.03 3hs5A1 PHE 198 H 0.43 0.18 -0.29 -0.55 8.34 8.11 3hs5A1 PHE 198 HA -0.06 0.03 0.49 -0.75 4.62 4.33 3hs5A1 PHE 198 HB2 -0.05 -0.01 0.23 -0.04 3.15 3.28 3hs5A1 PHE 198 HB3 0.02 0.22 0.22 -0.04 3.06 3.48 3hs5A1 PHE 198 HD2 -0.41 0.01 -0.07 -0.04 7.28 6.76 3hs5A1 PHE 198 HE2 -0.40 0.06 -0.02 -0.04 7.38 6.99 3hs5A1 PHE 198 HZ -0.06 0.02 -0.03 -0.04 7.32 7.21 3hs5A1 ALA 199 H 0.22 0.47 -0.02 -0.55 8.40 8.53 3hs5A1 ALA 199 HA 0.08 0.06 0.37 -0.75 4.34 4.09 3hs5A1 ALA 199 HB3 -0.11 0.03 0.05 -0.04 1.41 1.34 3hs5A1 PHE 200 H 0.13 0.64 -0.18 -0.55 8.34 8.38 3hs5A1 PHE 200 HA 0.04 0.01 0.49 -0.75 4.62 4.40 3hs5A1 PHE 200 HB2 0.27 0.19 0.09 -0.04 3.15 3.66 3hs5A1 PHE 200 HB3 0.30 0.03 -0.09 -0.04 3.06 3.27 3hs5A1 PHE 200 HD2 -0.27 0.08 -0.06 -0.04 7.28 6.98 3hs5A1 PHE 200 HE2 -0.32 0.01 -0.05 -0.04 7.38 6.98 3hs5A1 PHE 200 HZ -0.09 0.02 -0.05 -0.04 7.32 7.16 3hs5A1 PHE 201 H 0.34 0.45 -0.30 -0.55 8.34 8.28 3hs5A1 PHE 201 HA -0.65 0.00 0.54 -0.75 4.62 3.76 3hs5A1 PHE 201 HB2 0.11 0.15 0.14 -0.04 3.15 3.51 3hs5A1 PHE 201 HB3 -0.21 0.10 0.13 -0.04 3.06 3.04 3hs5A1 PHE 201 HD2 -0.35 0.04 -0.17 -0.04 7.28 6.75 3hs5A1 PHE 201 HE2 -0.25 0.01 -0.07 -0.04 7.38 7.03 3hs5A1 PHE 201 HZ 0.02 0.04 -0.06 -0.04 7.32 7.28 3hs5A1 ALA 202 H -0.02 0.63 -0.15 -0.55 8.40 8.31 3hs5A1 ALA 202 HA 0.06 -0.01 0.32 -0.75 4.34 3.96 3hs5A1 ALA 202 HB3 0.08 0.06 0.09 -0.04 1.41 1.60 3hs5A1 GLN 203 H -0.06 0.42 -0.21 -0.55 8.47 8.07 3hs5A1 GLN 203 HA -0.29 0.05 0.39 -0.75 4.36 3.75 3hs5A1 GLN 203 HB2 -0.10 0.10 0.09 -0.04 2.15 2.20 3hs5A1 GLN 203 HB3 -0.04 0.01 0.07 -0.04 2.02 2.01 3hs5A1 GLN 203 HG2 -0.64 -0.02 -0.12 -0.04 2.40 1.58 3hs5A1 GLN 203 HG3 -0.36 0.01 -0.00 -0.04 2.39 1.99 3hs5A1 GLN 203 HE21 0.07 -0.04 -0.06 -0.04 6.97 6.90 3hs5A1 GLN 203 HE22 -0.09 0.01 -0.05 -0.04 7.69 7.52 3hs5A1 HIS 204 H -0.11 0.63 -0.13 -0.55 8.41 8.26 3hs5A1 HIS 204 HA -0.44 -0.03 0.38 -0.75 4.63 3.78 3hs5A1 HIS 204 HB2 -0.27 0.01 0.15 -0.04 3.26 3.12 3hs5A1 HIS 204 HB3 -0.48 0.07 0.17 -0.04 3.20 2.92 3hs5A1 HIS 204 HD2 -0.22 0.03 -0.22 -0.04 6.97 6.52 3hs5A1 HIS 204 HE1 0.01 0.02 -0.13 -0.04 7.75 7.61 3hs5A1 PHE 205 H -0.29 0.81 -0.09 -0.55 8.34 8.22 3hs5A1 PHE 205 HA -0.49 -0.04 0.28 -0.75 4.62 3.62 3hs5A1 PHE 205 HB2 -0.86 -0.03 0.05 -0.04 3.15 2.27 3hs5A1 PHE 205 HB3 -0.53 0.12 0.10 -0.04 3.06 2.71 3hs5A1 PHE 205 HD2 -0.32 -0.00 -0.06 -0.04 7.28 6.87 3hs5A1 PHE 205 HE2 0.05 -0.00 -0.10 -0.04 7.38 7.29 3hs5A1 PHE 205 HZ 0.11 0.04 -0.12 -0.04 7.32 7.30 3hs5A1 THR 206 H -0.52 0.64 -0.10 -0.55 8.28 7.75 3hs5A1 THR 206 HA -2.28 0.02 0.30 -0.75 4.39 1.67 3hs5A1 THR 206 HB -1.07 -0.08 0.05 -0.04 4.32 3.17 3hs5A1 THR 206 HG23 -1.16 0.02 0.03 -0.04 1.22 0.07 3hs5A1 HIS 207 H -0.35 0.46 -0.37 -0.55 8.41 7.61 3hs5A1 HIS 207 HA -0.38 0.15 0.52 -0.75 4.63 4.16 3hs5A1 HIS 207 HB2 0.06 0.17 0.11 -0.04 3.26 3.56 3hs5A1 HIS 207 HB3 -0.06 -0.13 0.12 -0.04 3.20 3.08 3hs5A1 HIS 207 HD2 -0.27 -0.08 -0.13 -0.04 6.97 6.45 3hs5A1 HIS 207 HE1 0.01 -0.06 -0.03 -0.04 7.75 7.63 3hs5A1 GLN 208 H -0.89 0.41 -0.45 -0.55 8.47 7.00 3hs5A1 GLN 208 HA -0.41 0.04 0.70 -0.75 4.36 3.94 3hs5A1 GLN 208 HB2 -0.47 -0.29 0.12 -0.04 2.15 1.47 3hs5A1 GLN 208 HB3 -1.42 0.04 0.10 -0.04 2.02 0.70 3hs5A1 GLN 208 HG2 -1.06 0.24 0.06 -0.04 2.40 1.61 3hs5A1 GLN 208 HG3 -0.31 0.13 -0.16 -0.04 2.39 2.00 3hs5A1 GLN 208 HE21 -0.14 -0.05 0.01 -0.04 6.97 6.75 3hs5A1 GLN 208 HE22 -1.00 0.50 0.12 -0.04 7.69 7.28 3hs5A1 PHE 209 H -1.23 0.39 -0.14 -0.55 8.34 6.80 3hs5A1 PHE 209 HA -0.32 0.17 1.04 -0.75 4.62 4.76 3hs5A1 PHE 209 HB2 -0.33 -0.02 0.01 -0.04 3.15 2.77 3hs5A1 PHE 209 HB3 -0.36 0.03 -0.08 -0.04 3.06 2.61 3hs5A1 PHE 209 HD2 -1.15 -0.02 -0.29 -0.04 7.28 5.78 3hs5A1 PHE 209 HE2 -1.61 -0.01 -0.13 -0.04 7.38 5.59 3hs5A1 PHE 209 HZ -0.71 -0.01 -0.12 -0.04 7.32 6.44 3hs5A1 PHE 210 H -0.67 0.58 0.12 -0.55 8.34 7.81 3hs5A1 PHE 210 HA 0.02 0.13 0.81 -0.75 4.62 4.83 3hs5A1 PHE 210 HB2 -0.46 0.02 0.10 -0.04 3.15 2.77 3hs5A1 PHE 210 HB3 -0.26 -0.04 0.03 -0.04 3.06 2.75 3hs5A1 PHE 210 HD2 -0.30 0.04 -0.07 -0.04 7.28 6.91 3hs5A1 PHE 210 HE2 -0.64 -0.00 -0.13 -0.04 7.38 6.57 3hs5A1 PHE 210 HZ -1.77 0.01 -0.33 -0.04 7.32 5.19 3hs5A1 LYS 211 H 0.06 0.22 -0.25 -0.55 8.42 7.90 3hs5A1 LYS 211 HA -0.15 0.19 0.72 -0.75 4.32 4.32 3hs5A1 LYS 211 HB2 -0.16 -0.22 0.06 -0.04 1.87 1.51 3hs5A1 LYS 211 HB3 -0.15 0.00 0.01 -0.04 1.79 1.61 3hs5A1 LYS 211 HG2 -0.23 0.28 -0.32 -0.04 1.46 1.15 3hs5A1 LYS 211 HG3 -0.21 -0.02 -0.65 -0.04 1.46 0.53 3hs5A1 LYS 211 HD2 -0.19 -0.09 -0.06 -0.04 1.69 1.31 3hs5A1 LYS 211 HD3 -0.23 0.08 -0.05 -0.04 1.68 1.45 3hs5A1 LYS 211 HE2 -0.17 0.12 -0.08 -0.04 2.99 2.82 3hs5A1 LYS 211 HE3 -0.16 -0.15 -0.36 -0.04 2.99 2.29 3hs5A1 THR 212 H -0.09 0.17 -0.05 -0.55 8.28 7.76 3hs5A1 THR 212 HA -0.07 0.26 0.47 -0.75 4.39 4.30 3hs5A1 THR 212 HB -0.43 -0.07 0.06 -0.04 4.32 3.84 3hs5A1 THR 212 HG23 -0.20 0.03 -0.17 -0.04 1.22 0.84 3hs5A1 ASP 213 H -0.14 0.74 0.13 -0.55 8.40 8.57 3hs5A1 ASP 213 HA -0.13 0.06 0.62 -0.75 4.63 4.42 3hs5A1 ASP 213 HB2 -0.12 0.07 -0.29 -0.04 2.71 2.34 3hs5A1 ASP 213 HB3 -0.06 0.02 0.04 -0.04 2.70 2.66 3hs5A1 HIS 214 H -0.11 0.36 0.08 -0.55 8.41 8.19 3hs5A1 HIS 214 HA 0.00 0.06 0.16 -0.75 4.63 4.09 3hs5A1 HIS 214 HB2 -0.02 -0.00 0.04 -0.04 3.26 3.24 3hs5A1 HIS 214 HB3 -0.01 0.02 0.02 -0.04 3.20 3.18 3hs5A1 HIS 214 HD2 -0.02 0.01 0.02 -0.04 6.97 6.94 3hs5A1 HIS 214 HE1 0.00 0.00 -0.06 -0.04 7.75 7.65 3hs5A1 LYS 215 H -0.01 0.02 -0.37 -0.55 8.42 7.51 3hs5A1 LYS 215 HA -0.01 0.11 0.51 -0.75 4.32 4.17 3hs5A1 ARG 216 H -0.11 0.35 -0.21 -0.55 8.46 7.93 3hs5A1 ARG 216 HA -0.24 0.16 0.81 -0.75 4.34 4.32 3hs5A1 ARG 216 HB2 -0.40 0.08 0.09 -0.04 1.90 1.63 3hs5A1 ARG 216 HB3 -1.35 -0.02 -0.04 -0.04 1.80 0.35 3hs5A1 ARG 216 HG2 -0.38 0.03 -0.09 -0.04 1.67 1.19 3hs5A1 ARG 216 HG3 -0.29 -0.08 -0.10 -0.04 1.67 1.16 3hs5A1 ARG 216 HD2 -0.88 0.04 -0.04 -0.04 3.22 2.29 3hs5A1 ARG 216 HD3 -0.82 -0.01 -0.04 -0.04 3.22 2.31 3hs5A1 GLY 217 H 0.01 0.48 0.12 -0.55 8.43 8.50 3hs5A1 GLY 217 HA2 0.09 0.07 0.26 -0.51 4.01 3.92 3hs5A1 GLY 217 HA3 0.19 0.16 0.71 -0.51 4.01 4.56 3hs5A1 PRO 218 HA 0.04 0.06 0.31 -0.51 4.44 4.34 3hs5A1 PRO 218 HB2 -0.01 0.07 -0.03 -0.04 2.28 2.26 3hs5A1 PRO 218 HB3 0.02 -0.00 0.08 -0.04 2.02 2.08 3hs5A1 PRO 218 HG2 0.02 0.09 0.02 -0.04 2.03 2.12 3hs5A1 PRO 218 HG3 0.01 0.03 0.08 -0.04 2.03 2.11 3hs5A1 PRO 218 HD2 0.09 0.17 0.19 -0.04 3.68 4.09 3hs5A1 PRO 218 HD3 0.08 0.13 0.15 -0.04 3.65 3.97 3hs5A1 GLY 219 H 0.07 0.11 -0.39 -0.55 8.43 7.68 3hs5A1 GLY 219 HA2 0.11 0.13 0.62 -0.51 4.01 4.36 3hs5A1 GLY 219 HA3 -0.14 -0.00 0.31 -0.51 4.01 3.67 3hs5A1 PHE 220 H 0.12 0.39 -0.33 -0.55 8.34 7.96 3hs5A1 PHE 220 HA -0.25 0.26 1.12 -0.75 4.62 5.00 3hs5A1 PHE 220 HB2 -0.17 0.07 0.09 -0.04 3.15 3.09 3hs5A1 PHE 220 HB3 -0.24 0.06 0.04 -0.04 3.06 2.88 3hs5A1 PHE 220 HD2 -0.29 0.02 -0.33 -0.04 7.28 6.64 3hs5A1 PHE 220 HE2 -0.61 0.00 -0.13 -0.04 7.38 6.59 3hs5A1 PHE 220 HZ -0.22 -0.02 -0.08 -0.04 7.32 6.96 3hs5A1 THR 221 H -0.26 0.91 0.30 -0.55 8.28 8.68 3hs5A1 THR 221 HA -0.37 0.10 0.96 -0.75 4.39 4.32 3hs5A1 THR 221 HB -1.73 0.00 -0.18 -0.04 4.32 2.38 3hs5A1 THR 221 HG23 -0.44 0.03 -0.29 -0.04 1.22 0.48 3hs5A1 ARG 222 H -0.20 0.77 0.28 -0.55 8.46 8.75 3hs5A1 ARG 222 HA -0.13 0.17 0.84 -0.75 4.34 4.46 3hs5A1 ARG 222 HB2 -0.13 0.08 0.05 -0.04 1.90 1.85 3hs5A1 ARG 222 HB3 -0.11 -0.06 0.12 -0.04 1.80 1.71 3hs5A1 ARG 222 HG2 -0.10 -0.00 0.01 -0.04 1.67 1.54 3hs5A1 ARG 222 HG3 -0.12 -0.04 -0.16 -0.04 1.67 1.30 3hs5A1 GLY 223 H -0.24 0.10 -0.09 -0.55 8.43 7.65 3hs5A1 GLY 223 HA2 -0.16 0.10 0.71 -0.51 4.01 4.15 3hs5A1 GLY 223 HA3 -0.21 0.10 0.39 -0.51 4.01 3.78 3hs5A1 LEU 224 H -0.12 0.32 -0.01 -0.55 8.37 8.02 3hs5A1 LEU 224 HA -0.09 0.24 0.28 -0.75 4.35 4.03 3hs5A1 LEU 224 HB2 -0.03 -0.02 0.03 -0.04 1.64 1.58 3hs5A1 LEU 224 HB3 -0.00 0.02 0.07 -0.04 1.64 1.69 3hs5A1 LEU 224 HG -0.07 0.08 -0.03 -0.04 1.64 1.57 3hs5A1 LEU 224 HD13 -0.03 -0.02 -0.00 -0.04 0.93 0.84 3hs5A1 LEU 224 HD23 -0.06 -0.02 -0.28 -0.04 0.89 0.49 3hs5A1 GLY 225 H -0.07 -0.00 -0.26 -0.55 8.43 7.55 3hs5A1 GLY 225 HA2 0.02 0.14 0.54 -0.51 4.01 4.19 3hs5A1 GLY 225 HA3 -0.01 -0.06 0.21 -0.51 4.01 3.64 3hs5A1 HIS 226 H -0.18 0.35 -0.28 -0.55 8.41 7.75 3hs5A1 HIS 226 HA -0.03 0.01 0.33 -0.75 4.63 4.19 3hs5A1 HIS 226 HB2 -0.05 0.18 -0.29 -0.04 3.26 3.05 3hs5A1 HIS 226 HB3 -0.05 -0.11 0.08 -0.04 3.20 3.08 3hs5A1 HIS 226 HD2 -0.07 0.17 0.01 -0.04 6.97 7.04 3hs5A1 HIS 226 HE1 -0.04 0.15 0.14 -0.04 7.75 7.96 3hs5A1 GLY 227 H -0.04 0.08 -0.20 -0.55 8.43 7.73 3hs5A1 GLY 227 HA2 -0.26 0.02 0.19 -0.51 4.01 3.45 3hs5A1 GLY 227 HA3 -0.06 0.23 0.49 -0.51 4.01 4.15 3hs5A1 VAL 228 H -0.01 0.38 0.04 -0.55 8.24 8.10 3hs5A1 VAL 228 HA 0.00 -0.01 0.52 -0.75 4.13 3.89 3hs5A1 VAL 228 HB 0.08 0.10 0.22 -0.04 2.12 2.49 3hs5A1 VAL 228 HG13 0.14 -0.01 -0.02 -0.04 0.97 1.04 3hs5A1 VAL 228 HG23 0.16 0.03 -0.07 -0.04 0.95 1.03 3hs5A1 ASP 229 H -0.02 0.28 0.12 -0.55 8.40 8.23 3hs5A1 ASP 229 HA 0.05 0.29 0.85 -0.75 4.63 5.06 3hs5A1 ASP 229 HB2 0.03 0.05 0.08 -0.04 2.71 2.82 3hs5A1 ASP 229 HB3 0.01 0.10 -0.10 -0.04 2.70 2.67 3hs5A1 LEU 230 H -0.00 0.09 0.02 -0.55 8.37 7.93 3hs5A1 LEU 230 HA 0.21 -0.00 0.30 -0.75 4.35 4.11 3hs5A1 LEU 230 HB2 0.23 0.23 -0.28 -0.04 1.64 1.77 3hs5A1 LEU 230 HB3 0.14 -0.06 0.22 -0.04 1.64 1.90 3hs5A1 LEU 230 HG -0.12 -0.04 -0.03 -0.04 1.64 1.41 3hs5A1 LEU 230 HD13 -0.00 0.01 -0.12 -0.04 0.93 0.78 3hs5A1 LEU 230 HD23 -0.02 0.05 -0.21 -0.04 0.89 0.68 3hs5A1 ASN 231 H 0.03 0.12 -0.24 -0.55 8.53 7.89 3hs5A1 ASN 231 HA 0.11 0.23 0.38 -0.75 4.76 4.72 3hs5A1 ASN 231 HB2 -0.02 0.01 -0.33 -0.04 2.88 2.50 3hs5A1 ASN 231 HB3 -0.00 0.06 -0.04 -0.04 2.79 2.77 3hs5A1 ASN 231 HD21 -0.17 0.63 0.15 -0.04 7.03 7.59 3hs5A1 ASN 231 HD22 -0.09 -0.08 0.02 -0.04 7.74 7.55 3hs5A1 HIS 232 H 0.26 0.08 -0.32 -0.55 8.41 7.88 3hs5A1 HIS 232 HA -0.31 0.09 0.32 -0.75 4.63 3.98 3hs5A1 HIS 232 HB2 -0.28 0.01 0.01 -0.04 3.26 2.96 3hs5A1 HIS 232 HB3 -0.32 0.06 -0.07 -0.04 3.20 2.82 3hs5A1 HIS 232 HD2 -0.88 0.17 -0.12 -0.04 6.97 6.10 3hs5A1 HIS 232 HE1 -0.33 0.01 -0.02 -0.04 7.75 7.36 3hs5A1 ILE 233 H -0.13 0.27 -0.53 -0.55 8.25 7.31 3hs5A1 ILE 233 HA -0.21 0.10 0.87 -0.75 4.18 4.19 3hs5A1 ILE 233 HB -0.74 0.15 0.11 -0.04 1.89 1.38 3hs5A1 ILE 233 HG12 -0.26 0.04 -0.07 -0.04 1.49 1.16 3hs5A1 ILE 233 HG13 -0.93 -0.17 -0.29 -0.04 1.21 -0.22 3hs5A1 ILE 233 HG23 -0.60 0.02 -0.11 -0.04 0.93 0.20 3hs5A1 ILE 233 HD13 -0.58 0.01 -0.06 -0.04 0.88 0.21 3hs5A1 TYR 234 H -0.02 0.30 0.14 -0.55 8.29 8.16 3hs5A1 TYR 234 HA 0.04 0.18 0.49 -0.75 4.56 4.52 3hs5A1 TYR 234 HB2 0.06 0.06 0.02 -0.04 3.06 3.16 3hs5A1 TYR 234 HB3 0.18 -0.03 0.07 -0.04 2.98 3.16 3hs5A1 TYR 234 HD2 0.09 0.09 -0.01 -0.04 7.15 7.28 3hs5A1 TYR 234 HE2 -0.38 0.01 -0.02 -0.04 6.85 6.42 3hs5A1 GLY 235 H 0.03 0.28 -0.09 -0.55 8.43 8.10 3hs5A1 GLY 235 HA2 -0.02 0.18 0.43 -0.51 4.01 4.09 3hs5A1 GLY 235 HA3 0.03 0.10 0.66 -0.51 4.01 4.29 3hs5A1 GLU 236 H -0.04 0.16 0.18 -0.55 8.60 8.36 3hs5A1 GLU 236 HA -0.02 0.06 0.49 -0.75 4.29 4.07 3hs5A1 GLU 236 HB2 -0.08 0.02 0.13 -0.04 2.09 2.12 3hs5A1 GLU 236 HB3 -0.06 -0.04 0.18 -0.04 1.99 2.03 3hs5A1 GLU 236 HG2 -0.07 0.10 0.10 -0.04 2.34 2.43 3hs5A1 GLU 236 HG3 -0.05 -0.03 -0.08 -0.04 2.34 2.14 3hs5A1 THR 237 H -0.02 0.04 0.01 -0.55 8.28 7.76 3hs5A1 THR 237 HA -0.03 0.29 0.92 -0.75 4.39 4.81 3hs5A1 THR 237 HB -0.04 -0.05 0.12 -0.04 4.32 4.31 3hs5A1 THR 237 HG23 -0.04 0.03 -0.03 -0.04 1.22 1.14 3hs5A1 LEU 238 H -0.06 0.21 0.16 -0.55 8.37 8.13 3hs5A1 LEU 238 HA -0.14 0.16 0.42 -0.75 4.35 4.03 3hs5A1 LEU 238 HB2 -0.10 0.05 0.16 -0.04 1.64 1.71 3hs5A1 LEU 238 HB3 -0.15 -0.03 0.08 -0.04 1.64 1.51 3hs5A1 LEU 238 HG -0.63 -0.00 -0.06 -0.04 1.64 0.91 3hs5A1 LEU 238 HD13 -0.13 0.02 0.03 -0.04 0.93 0.80 3hs5A1 LEU 238 HD23 -0.08 0.01 0.00 -0.04 0.89 0.78 3hs5A1 ASP 239 H -0.08 0.04 -0.16 -0.55 8.40 7.65 3hs5A1 ASP 239 HA -0.06 0.11 0.41 -0.75 4.63 4.34 3hs5A1 ASP 239 HB2 -0.03 0.04 0.08 -0.04 2.71 2.75 3hs5A1 ASP 239 HB3 -0.04 -0.08 0.09 -0.04 2.70 2.63 3hs5A1 ARG 240 H -0.02 0.01 -0.23 -0.55 8.46 7.66 3hs5A1 ARG 240 HA 0.02 0.11 0.43 -0.75 4.34 4.15 3hs5A1 ARG 240 HB2 -0.01 -0.10 0.12 -0.04 1.90 1.87 3hs5A1 ARG 240 HB3 -0.00 0.03 0.13 -0.04 1.80 1.92 3hs5A1 ARG 240 HG2 0.01 0.12 -0.16 -0.04 1.67 1.60 3hs5A1 ARG 240 HG3 0.01 0.00 0.02 -0.04 1.67 1.66 3hs5A1 ARG 240 HD2 -0.03 -0.07 0.08 -0.04 3.22 3.16 3hs5A1 ARG 240 HD3 -0.03 -0.26 0.15 -0.04 3.22 3.05 3hs5A1 GLN 241 H 0.00 0.42 -0.08 -0.55 8.47 8.26 3hs5A1 GLN 241 HA 0.08 0.28 0.48 -0.75 4.36 4.45 3hs5A1 GLN 241 HB2 0.06 0.09 0.07 -0.04 2.15 2.32 3hs5A1 GLN 241 HB3 -0.02 -0.01 0.16 -0.04 2.02 2.10 3hs5A1 GLN 241 HG2 -0.12 -0.06 -0.19 -0.04 2.40 1.99 3hs5A1 GLN 241 HG3 0.19 0.06 0.04 -0.04 2.39 2.65 3hs5A1 GLN 241 HE21 0.14 -0.06 -0.05 -0.04 6.97 6.96 3hs5A1 GLN 241 HE22 0.13 0.09 -0.08 -0.04 7.69 7.79 3hs5A1 HIS 242 H 0.09 0.51 -0.13 -0.55 8.41 8.33 3hs5A1 HIS 242 HA 0.05 -0.01 0.43 -0.75 4.63 4.35 3hs5A1 HIS 242 HB2 0.08 0.08 0.13 -0.04 3.26 3.51 3hs5A1 HIS 242 HB3 0.22 -0.02 0.02 -0.04 3.20 3.38 3hs5A1 HIS 242 HD2 -0.09 -0.02 -0.14 -0.04 6.97 6.68 3hs5A1 HIS 242 HE1 0.05 -0.05 -0.01 -0.04 7.75 7.69 3hs5A1 LYS 243 H 0.12 0.30 -0.29 -0.55 8.42 8.00 3hs5A1 LYS 243 HA 0.11 0.06 0.57 -0.75 4.32 4.31 3hs5A1 LYS 243 HB2 0.06 0.05 0.11 -0.04 1.87 2.05 3hs5A1 LYS 243 HB3 0.05 0.02 -0.06 -0.04 1.79 1.76 3hs5A1 LYS 243 HG2 0.05 0.03 0.06 -0.04 1.46 1.57 3hs5A1 LYS 243 HG3 0.06 -0.00 0.06 -0.04 1.46 1.54 3hs5A1 LYS 243 HD2 0.03 -0.14 -0.09 -0.04 1.69 1.45 3hs5A1 LYS 243 HD3 0.03 0.07 -0.34 -0.04 1.68 1.40 3hs5A1 LYS 243 HE2 0.02 -0.00 0.02 -0.04 2.99 2.99 3hs5A1 LYS 243 HE3 0.02 -0.12 -0.03 -0.04 2.99 2.82 3hs5A1 LEU 244 H 0.06 0.35 -0.33 -0.55 8.37 7.90 3hs5A1 LEU 244 HA 0.05 0.06 0.60 -0.75 4.35 4.31 3hs5A1 LEU 244 HB2 0.05 0.15 0.09 -0.04 1.64 1.89 3hs5A1 LEU 244 HB3 0.05 -0.08 0.06 -0.04 1.64 1.62 3hs5A1 LEU 244 HG 0.04 0.09 -0.16 -0.04 1.64 1.57 3hs5A1 LEU 244 HD13 0.03 0.04 -0.38 -0.04 0.93 0.58 3hs5A1 LEU 244 HD23 0.05 -0.01 -0.28 -0.04 0.89 0.61 3hs5A1 ARG 245 H -0.05 0.26 -0.21 -0.55 8.46 7.90 3hs5A1 ARG 245 HA -0.12 0.07 0.88 -0.75 4.34 4.42 3hs5A1 ARG 245 HB2 -0.86 0.06 0.11 -0.04 1.90 1.17 3hs5A1 ARG 245 HB3 -0.94 -0.24 0.03 -0.04 1.80 0.60 3hs5A1 ARG 245 HG2 -0.45 0.04 -0.04 -0.04 1.67 1.18 3hs5A1 ARG 245 HG3 -0.33 0.19 -0.04 -0.04 1.67 1.45 3hs5A1 ARG 245 HD2 -1.86 -0.01 -0.09 -0.04 3.22 1.21 3hs5A1 ARG 245 HD3 -0.69 -0.03 -0.15 -0.04 3.22 2.31 3hs5A1 LEU 246 H -0.06 0.60 0.18 -0.55 8.37 8.54 3hs5A1 LEU 246 HA 0.05 0.17 0.58 -0.75 4.35 4.40 3hs5A1 LEU 246 HB2 0.08 0.06 -0.31 -0.04 1.64 1.42 3hs5A1 LEU 246 HB3 0.07 -0.03 -0.03 -0.04 1.64 1.61 3hs5A1 LEU 246 HG 0.07 -0.09 -0.12 -0.04 1.64 1.47 3hs5A1 LEU 246 HD13 0.00 0.01 0.02 -0.04 0.93 0.92 3hs5A1 LEU 246 HD23 0.13 0.03 -0.07 -0.04 0.89 0.94 3hs5A1 PHE 247 H -0.36 0.17 -0.11 -0.55 8.34 7.49 3hs5A1 PHE 247 HA -0.03 -0.07 0.19 -0.75 4.62 3.96 3hs5A1 PHE 247 HB2 -0.04 0.24 0.07 -0.04 3.15 3.38 3hs5A1 PHE 247 HB3 -0.05 -0.10 0.20 -0.04 3.06 3.07 3hs5A1 PHE 247 HD2 -0.11 0.03 -0.18 -0.04 7.28 6.97 3hs5A1 PHE 247 HE2 -0.33 0.20 0.03 -0.04 7.38 7.25 3hs5A1 PHE 247 HZ -0.98 -0.06 0.03 -0.04 7.32 6.27 3hs5A1 LYS 248 H 0.07 0.20 -0.33 -0.55 8.42 7.81 3hs5A1 LYS 248 HA 0.10 0.10 0.64 -0.75 4.32 4.40 3hs5A1 LYS 248 HB2 0.08 0.12 -0.09 -0.04 1.87 1.94 3hs5A1 LYS 248 HB3 0.09 0.01 -0.02 -0.04 1.79 1.84 3hs5A1 LYS 248 HG2 0.08 0.01 -0.16 -0.04 1.46 1.35 3hs5A1 LYS 248 HG3 0.07 -0.01 0.06 -0.04 1.46 1.54 3hs5A1 LYS 248 HD2 0.06 0.02 -0.03 -0.04 1.69 1.70 3hs5A1 LYS 248 HD3 0.07 0.01 -0.07 -0.04 1.68 1.65 3hs5A1 LYS 248 HE2 0.06 0.01 -0.05 -0.04 2.99 2.97 3hs5A1 LYS 248 HE3 0.05 -0.01 -0.01 -0.04 2.99 2.98 3hs5A1 ASP 249 H 0.10 0.17 0.06 -0.55 8.40 8.17 3hs5A1 ASP 249 HA 0.11 0.09 0.24 -0.75 4.63 4.33 3hs5A1 ASP 249 HB2 0.10 0.13 -0.31 -0.04 2.71 2.59 3hs5A1 ASP 249 HB3 0.09 0.08 0.08 -0.04 2.70 2.90 3hs5A1 GLY 250 H 0.12 -0.08 -0.51 -0.55 8.43 7.41 3hs5A1 GLY 250 HA2 0.21 0.07 0.29 -0.51 4.01 4.06 3hs5A1 GLY 250 HA3 0.20 0.09 0.34 -0.51 4.01 4.13 3hs5A1 LYS 251 H 0.15 0.36 -0.22 -0.55 8.42 8.16 3hs5A1 LYS 251 HA 0.39 0.13 0.10 -0.75 4.32 4.19 3hs5A1 LYS 251 HB2 0.17 0.03 0.05 -0.04 1.87 2.07 3hs5A1 LYS 251 HB3 0.22 0.14 0.05 -0.04 1.79 2.17 3hs5A1 LYS 251 HG2 0.14 -0.01 -0.01 -0.04 1.46 1.54 3hs5A1 LYS 251 HG3 0.13 0.06 -0.14 -0.04 1.46 1.48 3hs5A1 LYS 251 HD2 0.14 -0.05 -0.06 -0.04 1.69 1.68 3hs5A1 LYS 251 HD3 0.14 0.02 -0.02 -0.04 1.68 1.78 3hs5A1 LYS 251 HE2 0.04 0.13 0.04 -0.04 2.99 3.16 3hs5A1 LYS 251 HE3 0.07 -0.00 -0.05 -0.04 2.99 2.97 3hs5A1 LEU 252 H 0.31 0.15 0.16 -0.55 8.37 8.43 3hs5A1 LEU 252 HA 0.07 0.09 0.96 -0.75 4.35 4.73 3hs5A1 LEU 252 HB2 0.13 -0.05 0.15 -0.04 1.64 1.83 3hs5A1 LEU 252 HB3 0.08 0.21 0.12 -0.04 1.64 2.00 3hs5A1 LEU 252 HG -0.19 -0.07 -0.01 -0.04 1.64 1.33 3hs5A1 LEU 252 HD13 -0.11 -0.00 0.03 -0.04 0.93 0.81 3hs5A1 LEU 252 HD23 0.14 0.00 -0.04 -0.04 0.89 0.95 3hs5A1 LYS 253 H 0.06 0.62 0.21 -0.55 8.42 8.76 3hs5A1 LYS 253 HA 0.05 -0.04 0.42 -0.75 4.32 4.00 3hs5A1 LYS 253 HB2 0.05 0.12 0.00 -0.04 1.87 2.00 3hs5A1 LYS 253 HB3 0.01 -0.08 -0.02 -0.04 1.79 1.66 3hs5A1 LYS 253 HG2 0.01 -0.11 -0.07 -0.04 1.46 1.25 3hs5A1 LYS 253 HG3 0.03 -0.03 -0.76 -0.04 1.46 0.66 3hs5A1 LYS 253 HD2 0.06 0.23 -0.13 -0.04 1.69 1.81 3hs5A1 LYS 253 HD3 0.04 -0.00 -0.09 -0.04 1.68 1.59 3hs5A1 LYS 253 HE2 0.01 -0.09 -0.05 -0.04 2.99 2.81 3hs5A1 LYS 253 HE3 0.01 -0.09 -0.01 -0.04 2.99 2.86 3hs5A1 TYR 254 H -0.22 0.22 0.23 -0.55 8.29 7.97 3hs5A1 TYR 254 HA 0.02 0.12 0.60 -0.75 4.56 4.55 3hs5A1 TYR 254 HB2 -0.01 0.14 0.12 -0.04 3.06 3.27 3hs5A1 TYR 254 HB3 0.01 0.12 -0.24 -0.04 2.98 2.84 3hs5A1 TYR 254 HD2 0.02 0.21 -0.24 -0.04 7.15 7.10 3hs5A1 TYR 254 HE2 0.02 -0.04 -0.12 -0.04 6.85 6.67 3hs5A1 GLN 255 H 0.17 0.70 0.14 -0.55 8.47 8.93 3hs5A1 GLN 255 HA -0.01 0.16 0.75 -0.75 4.36 4.50 3hs5A1 GLN 255 HB2 0.08 -0.06 0.02 -0.04 2.15 2.15 3hs5A1 GLN 255 HB3 0.05 -0.02 -0.02 -0.04 2.02 1.99 3hs5A1 GLN 255 HG2 0.12 0.22 -0.28 -0.04 2.40 2.42 3hs5A1 GLN 255 HG3 0.16 -0.08 -0.18 -0.04 2.39 2.25 3hs5A1 GLN 255 HE21 0.37 0.07 -0.08 -0.04 6.97 7.29 3hs5A1 GLN 255 HE22 0.36 0.46 -0.07 -0.04 7.69 8.40 3hs5A1 VAL 256 H 0.08 0.18 0.07 -0.55 8.24 8.02 3hs5A1 VAL 256 HA 0.12 0.38 0.81 -0.75 4.13 4.69 3hs5A1 VAL 256 HB 0.08 -0.04 0.10 -0.04 2.12 2.22 3hs5A1 VAL 256 HG13 0.05 -0.04 -0.30 -0.04 0.97 0.64 3hs5A1 VAL 256 HG23 0.21 0.02 -0.25 -0.04 0.95 0.89 3hs5A1 ILE 257 H 0.22 0.73 0.16 -0.55 8.25 8.80 3hs5A1 ILE 257 HA 0.08 0.10 0.94 -0.75 4.18 4.55 3hs5A1 ILE 257 HB 0.22 0.07 0.09 -0.04 1.89 2.22 3hs5A1 ILE 257 HG12 0.08 -0.01 -0.09 -0.04 1.49 1.43 3hs5A1 ILE 257 HG13 0.16 -0.08 -0.35 -0.04 1.21 0.89 3hs5A1 ILE 257 HG23 0.03 -0.00 -0.09 -0.04 0.93 0.83 3hs5A1 ILE 257 HD13 0.08 0.02 -0.07 -0.04 0.88 0.86 3hs5A1 GLY 258 H 0.05 0.17 0.11 -0.55 8.43 8.21 3hs5A1 GLY 258 HA2 0.03 0.03 0.32 -0.51 4.01 3.88 3hs5A1 GLY 258 HA3 0.05 0.10 0.41 -0.51 4.01 4.06 3hs5A1 GLY 259 H 0.04 0.07 -0.37 -0.55 8.43 7.63 3hs5A1 GLY 259 HA2 0.02 -0.01 0.19 -0.51 4.01 3.70 3hs5A1 GLY 259 HA3 0.01 0.09 0.37 -0.51 4.01 3.97 3hs5A1 GLU 260 H 0.05 0.41 -0.58 -0.55 8.60 7.94 3hs5A1 GLU 260 HA -0.13 0.14 0.92 -0.75 4.29 4.47 3hs5A1 GLU 260 HB2 0.08 0.15 0.09 -0.04 2.09 2.38 3hs5A1 GLU 260 HB3 -0.42 0.01 -0.02 -0.04 1.99 1.52 3hs5A1 GLU 260 HG2 -0.01 0.09 -0.19 -0.04 2.34 2.19 3hs5A1 GLU 260 HG3 0.01 -0.03 0.02 -0.04 2.34 2.30 3hs5A1 VAL 261 H -0.25 0.15 0.17 -0.55 8.24 7.76 3hs5A1 VAL 261 HA -0.04 0.24 0.74 -0.75 4.13 4.31 3hs5A1 VAL 261 HB -0.24 -0.01 0.17 -0.04 2.12 1.99 3hs5A1 VAL 261 HG13 -0.23 0.01 -0.14 -0.04 0.97 0.57 3hs5A1 VAL 261 HG23 -0.19 -0.01 -0.04 -0.04 0.95 0.68 3hs5A1 TYR 262 H 0.07 0.66 0.42 -0.55 8.29 8.89 3hs5A1 TYR 262 HA -0.23 0.15 0.85 -0.75 4.56 4.59 3hs5A1 TYR 262 HB2 -0.17 -0.07 0.02 -0.04 3.06 2.80 3hs5A1 TYR 262 HB3 -0.74 0.08 0.09 -0.04 2.98 2.37 3hs5A1 TYR 262 HD2 -0.23 -0.01 -0.02 -0.04 7.15 6.85 3hs5A1 TYR 262 HE2 -0.13 0.01 -0.05 -0.04 6.85 6.64 3hs5A1 PRO 263 HA 0.05 0.21 0.61 -0.51 4.44 4.80 3hs5A1 PRO 263 HB2 0.03 -0.07 -0.08 -0.04 2.28 2.12 3hs5A1 PRO 263 HB3 0.05 0.22 0.07 -0.04 2.02 2.32 3hs5A1 PRO 263 HG2 -0.06 -0.04 -0.06 -0.04 2.03 1.82 3hs5A1 PRO 263 HG3 -0.03 0.08 -0.04 -0.04 2.03 2.00 3hs5A1 PRO 263 HD2 -0.68 0.04 0.16 -0.04 3.68 3.17 3hs5A1 PRO 263 HD3 -0.14 0.11 0.20 -0.04 3.65 3.78 3hs5A1 PRO 264 HA 0.10 0.01 0.26 -0.51 4.44 4.30 3hs5A1 PRO 264 HB2 0.06 -0.01 -0.03 -0.04 2.28 2.25 3hs5A1 PRO 264 HB3 0.04 -0.02 -0.18 -0.04 2.02 1.83 3hs5A1 PRO 264 HG2 0.08 0.01 -0.14 -0.04 2.03 1.94 3hs5A1 PRO 264 HG3 0.07 0.10 -0.09 -0.04 2.03 2.06 3hs5A1 PRO 264 HD2 0.09 0.33 0.22 -0.04 3.68 4.27 3hs5A1 PRO 264 HD3 0.09 0.41 0.15 -0.04 3.65 4.26 3hs5A1 THR 265 H 0.07 0.04 0.09 -0.55 8.28 7.93 3hs5A1 THR 265 HA 0.13 0.36 0.72 -0.75 4.39 4.84 3hs5A1 THR 265 HB -0.02 0.10 0.13 -0.04 4.32 4.49 3hs5A1 THR 265 HG23 0.05 0.01 -0.09 -0.04 1.22 1.15 3hs5A1 VAL 266 H 0.02 0.71 0.22 -0.55 8.24 8.64 3hs5A1 VAL 266 HA 0.06 0.14 0.47 -0.75 4.13 4.04 3hs5A1 VAL 266 HB -0.01 -0.04 0.14 -0.04 2.12 2.17 3hs5A1 VAL 266 HG13 0.03 0.01 -0.19 -0.04 0.97 0.77 3hs5A1 VAL 266 HG23 0.14 0.12 -0.08 -0.04 0.95 1.08 3hs5A1 LYS 267 H -0.01 0.13 -0.10 -0.55 8.42 7.88 3hs5A1 LYS 267 HA -0.00 0.12 0.39 -0.75 4.32 4.07 3hs5A1 LYS 267 HB2 -0.02 -0.00 0.07 -0.04 1.87 1.87 3hs5A1 LYS 267 HB3 -0.01 -0.03 -0.00 -0.04 1.79 1.71 3hs5A1 LYS 267 HG2 -0.01 0.01 -0.10 -0.04 1.46 1.31 3hs5A1 LYS 267 HG3 -0.01 0.04 0.06 -0.04 1.46 1.52 3hs5A1 LYS 267 HD2 -0.02 0.00 0.00 -0.04 1.69 1.63 3hs5A1 LYS 267 HD3 -0.02 -0.03 -0.01 -0.04 1.68 1.57 3hs5A1 LYS 267 HE2 -0.01 0.01 -0.02 -0.04 2.99 2.93 3hs5A1 LYS 267 HE3 -0.01 0.02 -0.00 -0.04 2.99 2.96 3hs5A1 ASP 268 H 0.02 0.02 -0.32 -0.55 8.40 7.56 3hs5A1 ASP 268 HA 0.01 0.06 0.42 -0.75 4.63 4.37 3hs5A1 ASP 268 HB2 0.01 -0.12 0.07 -0.04 2.71 2.64 3hs5A1 ASP 268 HB3 0.03 0.08 0.06 -0.04 2.70 2.83 3hs5A1 THR 269 H 0.03 0.23 -0.30 -0.55 8.28 7.69 3hs5A1 THR 269 HA 0.04 0.24 0.59 -0.75 4.39 4.51 3hs5A1 THR 269 HB 0.05 0.05 -0.12 -0.04 4.32 4.26 3hs5A1 THR 269 HG23 0.05 0.01 -0.12 -0.04 1.22 1.12 3hs5A1 GLN 270 H 0.02 0.42 -0.04 -0.55 8.47 8.32 3hs5A1 GLN 270 HA 0.02 0.01 0.25 -0.75 4.36 3.89 3hs5A1 GLN 270 HB2 0.02 0.19 0.32 -0.04 2.15 2.63 3hs5A1 GLN 270 HB3 0.01 -0.12 0.19 -0.04 2.02 2.06 3hs5A1 GLN 270 HG2 0.01 0.02 -0.07 -0.04 2.40 2.32 3hs5A1 GLN 270 HG3 0.01 0.11 -0.40 -0.04 2.39 2.07 3hs5A1 GLN 270 HE21 0.00 -0.06 -0.00 -0.04 6.97 6.87 3hs5A1 GLN 270 HE22 0.00 -0.01 0.01 -0.04 7.69 7.65 3hs5A1 VAL 271 H 0.04 0.10 -0.22 -0.55 8.24 7.61 3hs5A1 VAL 271 HA 0.02 0.06 0.63 -0.75 4.13 4.09 3hs5A1 VAL 271 HB 0.05 -0.05 -0.06 -0.04 2.12 2.02 3hs5A1 VAL 271 HG13 0.03 -0.00 -0.30 -0.04 0.97 0.66 3hs5A1 VAL 271 HG23 0.04 0.03 -0.25 -0.04 0.95 0.74 3hs5A1 GLU 272 H 0.01 0.12 0.08 -0.55 8.60 8.27 3hs5A1 GLU 272 HA 0.02 0.03 0.46 -0.75 4.29 4.05 3hs5A1 GLU 272 HB2 -0.01 -0.05 0.12 -0.04 2.09 2.11 3hs5A1 GLU 272 HB3 -0.00 0.02 -0.03 -0.04 1.99 1.93 3hs5A1 MET 273 H 0.05 0.20 0.22 -0.55 8.47 8.39 3hs5A1 MET 273 HA -0.03 0.12 0.74 -0.75 4.52 4.60 3hs5A1 MET 273 HB2 0.25 -0.05 -0.07 -0.04 2.15 2.23 3hs5A1 MET 273 HB3 -0.11 0.02 0.02 -0.04 2.03 1.92 3hs5A1 MET 273 HG2 0.10 0.06 -0.49 -0.04 2.63 2.25 3hs5A1 MET 273 HG3 0.24 0.19 -0.11 -0.04 2.56 2.84 3hs5A1 MET 273 HE3 0.03 0.09 -0.03 -0.04 2.10 2.14 3hs5A1 ILE 274 H -0.15 0.62 0.25 -0.55 8.25 8.42 3hs5A1 ILE 274 HA -0.05 0.11 0.85 -0.75 4.18 4.33 3hs5A1 ILE 274 HB -0.03 -0.01 0.18 -0.04 1.89 1.99 3hs5A1 ILE 274 HG12 -0.05 0.02 -0.11 -0.04 1.49 1.31 3hs5A1 ILE 274 HG13 -0.01 -0.05 -0.07 -0.04 1.21 1.04 3hs5A1 ILE 274 HG23 0.01 -0.01 -0.11 -0.04 0.93 0.78 3hs5A1 ILE 274 HD13 -0.02 0.01 -0.10 -0.04 0.88 0.73 3hs5A1 TYR 275 H -0.01 0.31 0.11 -0.55 8.29 8.16 3hs5A1 TYR 275 HA -0.23 0.14 0.59 -0.75 4.56 4.31 3hs5A1 TYR 275 HB2 -0.10 -0.04 -0.07 -0.04 3.06 2.81 3hs5A1 TYR 275 HB3 -0.18 0.11 -0.03 -0.04 2.98 2.84 3hs5A1 TYR 275 HD2 -0.00 -0.01 -0.10 -0.04 7.15 7.00 3hs5A1 TYR 275 HE2 0.03 0.11 -0.06 -0.04 6.85 6.88 3hs5A1 PRO 276 HA -0.22 0.11 0.56 -0.51 4.44 4.37 3hs5A1 PRO 276 HB2 -1.01 -0.08 -0.00 -0.04 2.28 1.15 3hs5A1 PRO 276 HB3 -0.27 0.03 0.11 -0.04 2.02 1.86 3hs5A1 PRO 276 HG2 -0.50 0.10 0.05 -0.04 2.03 1.65 3hs5A1 PRO 276 HG3 -0.70 0.03 0.05 -0.04 2.03 1.37 3hs5A1 PRO 276 HD2 -0.37 0.15 0.20 -0.04 3.68 3.61 3hs5A1 PRO 276 HD3 -1.45 0.15 0.10 -0.04 3.65 2.40 3hs5A1 PRO 277 HA -0.08 0.14 0.36 -0.51 4.44 4.35 3hs5A1 PRO 277 HB2 0.01 0.01 -0.00 -0.04 2.28 2.25 3hs5A1 PRO 277 HB3 -0.02 0.03 0.10 -0.04 2.02 2.09 3hs5A1 PRO 277 HG2 -0.00 0.02 0.09 -0.04 2.03 2.10 3hs5A1 PRO 277 HG3 -0.03 0.07 0.11 -0.04 2.03 2.13 3hs5A1 PRO 277 HD2 -0.01 0.07 0.20 -0.04 3.68 3.89 3hs5A1 PRO 277 HD3 -0.08 0.14 0.26 -0.04 3.65 3.92 3hs5A1 HIS 278 H -0.37 0.04 -0.41 -0.55 8.41 7.12 3hs5A1 HIS 278 HA -0.04 0.13 0.35 -0.75 4.63 4.31 3hs5A1 HIS 278 HB2 -0.03 0.00 0.10 -0.04 3.26 3.29 3hs5A1 HIS 278 HB3 -0.03 -0.03 0.01 -0.04 3.20 3.11 3hs5A1 HIS 278 HD2 -0.04 -0.03 0.00 -0.04 6.97 6.86 3hs5A1 HIS 278 HE1 0.01 0.08 -0.04 -0.04 7.75 7.75 3hs5A1 ILE 279 H -0.28 0.34 -0.44 -0.55 8.25 7.32 3hs5A1 ILE 279 HA -0.11 0.08 0.50 -0.75 4.18 3.90 3hs5A1 ILE 279 HB -0.28 0.05 0.01 -0.04 1.89 1.63 3hs5A1 ILE 279 HG12 -0.43 -0.09 -0.02 -0.04 1.49 0.92 3hs5A1 ILE 279 HG13 -0.07 0.01 0.06 -0.04 1.21 1.17 3hs5A1 ILE 279 HG23 -0.39 0.01 -0.21 -0.04 0.93 0.31 3hs5A1 ILE 279 HD13 -0.04 0.00 0.03 -0.04 0.88 0.84 3hs5A1 PRO 280 HA -0.10 0.06 0.42 -0.51 4.44 4.32 3hs5A1 PRO 280 HB2 -0.14 -0.11 0.03 -0.04 2.28 2.01 3hs5A1 PRO 280 HB3 -0.09 0.01 0.09 -0.04 2.02 1.99 3hs5A1 PRO 280 HG2 -0.08 0.01 0.09 -0.04 2.03 2.01 3hs5A1 PRO 280 HG3 -0.05 0.09 0.11 -0.04 2.03 2.14 3hs5A1 PRO 280 HD2 -0.12 0.04 0.21 -0.04 3.68 3.78 3hs5A1 PRO 280 HD3 -0.04 0.37 0.34 -0.04 3.65 4.27 3hs5A1 GLU 281 H -0.10 0.15 0.16 -0.55 8.60 8.27 3hs5A1 GLU 281 HA -0.15 0.15 0.31 -0.75 4.29 3.85 3hs5A1 GLU 281 HB2 -0.07 0.07 0.14 -0.04 2.09 2.19 3hs5A1 GLU 281 HB3 -0.07 -0.04 0.13 -0.04 1.99 1.97 3hs5A1 GLU 281 HG2 -0.06 -0.00 -0.33 -0.04 2.34 1.90 3hs5A1 GLU 281 HG3 -0.06 -0.02 0.04 -0.04 2.34 2.25 3hs5A1 ASN 282 H -0.11 0.08 -0.15 -0.55 8.53 7.81 3hs5A1 ASN 282 HA -0.08 0.12 0.47 -0.75 4.76 4.52 3hs5A1 ASN 282 HB2 -0.06 -0.05 0.05 -0.04 2.88 2.78 3hs5A1 ASN 282 HB3 -0.05 0.05 -0.05 -0.04 2.79 2.69 3hs5A1 ASN 282 HD21 0.02 0.02 -0.02 -0.04 7.03 7.01 3hs5A1 ASN 282 HD22 0.01 -0.00 -0.02 -0.04 7.74 7.68 3hs5A1 LEU 283 H -0.30 0.33 -0.48 -0.55 8.37 7.38 3hs5A1 LEU 283 HA -1.00 0.17 0.74 -0.75 4.35 3.51 3hs5A1 LEU 283 HB2 -0.33 0.14 0.02 -0.04 1.64 1.43 3hs5A1 LEU 283 HB3 -0.43 -0.09 0.10 -0.04 1.64 1.18 3hs5A1 LEU 283 HG -0.23 -0.07 -0.20 -0.04 1.64 1.10 3hs5A1 LEU 283 HD13 -0.14 -0.02 -0.00 -0.04 0.93 0.73 3hs5A1 LEU 283 HD23 -0.25 -0.01 -0.19 -0.04 0.89 0.40 3hs5A1 GLN 284 H -0.43 0.34 -0.38 -0.55 8.47 7.45 3hs5A1 GLN 284 HA -1.25 0.14 0.67 -0.75 4.36 3.17 3hs5A1 GLN 284 HB2 -0.27 0.08 0.22 -0.04 2.15 2.13 3hs5A1 GLN 284 HB3 -0.29 -0.06 0.10 -0.04 2.02 1.73 3hs5A1 GLN 284 HG2 -0.94 0.01 -0.10 -0.04 2.40 1.33 3hs5A1 GLN 284 HG3 -0.47 0.12 -0.27 -0.04 2.39 1.73 3hs5A1 GLN 284 HE21 -0.12 -0.08 -0.05 -0.04 6.97 6.69 3hs5A1 GLN 284 HE22 -0.21 0.49 -0.11 -0.04 7.69 7.82 3hs5A1 PHE 285 H -0.44 0.31 -0.27 -0.55 8.34 7.38 3hs5A1 PHE 285 HA 0.03 0.22 0.28 -0.75 4.62 4.40 3hs5A1 PHE 285 HB2 0.13 -0.10 -0.05 -0.04 3.15 3.09 3hs5A1 PHE 285 HB3 0.08 0.07 -0.14 -0.04 3.06 3.03 3hs5A1 PHE 285 HD2 -0.00 0.02 -0.14 -0.04 7.28 7.12 3hs5A1 PHE 285 HE2 -0.16 -0.04 -0.01 -0.04 7.38 7.13 3hs5A1 PHE 285 HZ -0.40 -0.08 -0.04 -0.04 7.32 6.76 3hs5A1 ALA 286 H 0.22 0.87 0.13 -0.55 8.40 9.07 3hs5A1 ALA 286 HA 0.17 0.09 0.74 -0.75 4.34 4.59 3hs5A1 ALA 286 HB3 0.10 -0.01 -0.25 -0.04 1.41 1.21 3hs5A1 VAL 287 H 0.09 0.22 -0.01 -0.55 8.24 7.99 3hs5A1 VAL 287 HA 0.06 0.25 0.67 -0.75 4.13 4.36 3hs5A1 VAL 287 HB 0.11 -0.02 0.14 -0.04 2.12 2.31 3hs5A1 VAL 287 HG13 0.13 -0.00 -0.27 -0.04 0.97 0.79 3hs5A1 VAL 287 HG23 0.18 0.00 -0.16 -0.04 0.95 0.93 3hs5A1 GLY 288 H -0.03 0.26 0.01 -0.55 8.43 8.13 3hs5A1 GLY 288 HA2 -0.03 0.04 -0.00 -0.51 4.01 3.50 3hs5A1 GLY 288 HA3 -0.08 -0.15 -0.46 -0.51 4.01 2.82 3hs5A1 GLN 289 H -0.26 0.29 -0.12 -0.55 8.47 7.83 3hs5A1 GLN 289 HA -0.31 0.10 0.77 -0.75 4.36 4.16 3hs5A1 GLN 289 HB2 -1.12 0.10 0.15 -0.04 2.15 1.24 3hs5A1 GLN 289 HB3 -1.79 -0.15 0.03 -0.04 2.02 0.07 3hs5A1 GLN 289 HG2 -0.40 0.01 -0.04 -0.04 2.40 1.94 3hs5A1 GLN 289 HG3 -0.69 0.10 -0.10 -0.04 2.39 1.66 3hs5A1 GLN 289 HE21 -0.18 -0.08 0.04 -0.04 6.97 6.71 3hs5A1 GLN 289 HE22 -0.25 0.62 0.09 -0.04 7.69 8.11 3hs5A1 GLU 290 H -0.19 0.18 0.17 -0.55 8.60 8.21 3hs5A1 GLU 290 HA -0.09 0.23 0.32 -0.75 4.29 3.99 3hs5A1 GLU 290 HB2 -0.09 -0.04 0.07 -0.04 2.09 1.98 3hs5A1 GLU 290 HB3 -0.07 -0.07 0.01 -0.04 1.99 1.82 3hs5A1 GLU 290 HG2 -0.05 -0.03 -0.04 -0.04 2.34 2.18 3hs5A1 GLU 290 HG3 -0.06 0.26 0.07 -0.04 2.34 2.57 3hs5A1 VAL 291 H -0.21 0.09 -0.37 -0.55 8.24 7.20 3hs5A1 VAL 291 HA -0.04 0.24 0.87 -0.75 4.13 4.45 3hs5A1 VAL 291 HB 0.06 0.00 0.14 -0.04 2.12 2.28 3hs5A1 VAL 291 HG13 -0.02 0.00 -0.07 -0.04 0.97 0.85 3hs5A1 VAL 291 HG23 0.11 0.01 -0.08 -0.04 0.95 0.94 3hs5A1 PHE 292 H 0.02 0.45 -0.19 -0.55 8.34 8.07 3hs5A1 PHE 292 HA -0.02 0.02 0.25 -0.75 4.62 4.12 3hs5A1 PHE 292 HB2 0.02 0.21 0.04 -0.04 3.15 3.38 3hs5A1 PHE 292 HB3 0.06 -0.02 -0.07 -0.04 3.06 2.99 3hs5A1 PHE 292 HD2 0.02 -0.01 -0.11 -0.04 7.28 7.14 3hs5A1 PHE 292 HE2 -0.25 0.03 -0.05 -0.04 7.38 7.07 3hs5A1 PHE 292 HZ -0.29 0.19 -0.02 -0.04 7.32 7.16 3hs5A1 GLY 293 H -0.04 0.20 -0.31 -0.55 8.43 7.73 3hs5A1 GLY 293 HA2 0.15 0.06 0.56 -0.51 4.01 4.27 3hs5A1 GLY 293 HA3 -0.22 0.13 0.27 -0.51 4.01 3.69 3hs5A1 LEU 294 H -0.07 0.41 -0.30 -0.55 8.37 7.86 3hs5A1 LEU 294 HA -1.10 0.04 0.41 -0.75 4.35 2.95 3hs5A1 LEU 294 HB2 -0.20 0.05 0.17 -0.04 1.64 1.62 3hs5A1 LEU 294 HB3 -0.08 0.03 0.16 -0.04 1.64 1.71 3hs5A1 LEU 294 HG -0.15 -0.05 -0.25 -0.04 1.64 1.15 3hs5A1 LEU 294 HD13 -0.39 -0.02 0.04 -0.04 0.93 0.52 3hs5A1 LEU 294 HD23 0.04 -0.01 -0.02 -0.04 0.89 0.86 3hs5A1 VAL 295 H -0.12 0.24 -0.10 -0.55 8.24 7.71 3hs5A1 VAL 295 HA -0.33 0.27 0.78 -0.75 4.13 4.10 3hs5A1 VAL 295 HB -0.15 -0.14 0.01 -0.04 2.12 1.79 3hs5A1 VAL 295 HG13 -0.06 0.05 -0.11 -0.04 0.97 0.80 3hs5A1 VAL 295 HG23 0.06 -0.03 -0.03 -0.04 0.95 0.90 3hs5A1 PRO 296 HA -0.17 0.08 0.39 -0.51 4.44 4.22 3hs5A1 PRO 296 HB2 -0.02 0.03 -0.06 -0.04 2.28 2.19 3hs5A1 PRO 296 HB3 -0.16 -0.03 0.08 -0.04 2.02 1.87 3hs5A1 PRO 296 HG2 -1.36 0.05 0.11 -0.04 2.03 0.80 3hs5A1 PRO 296 HG3 -0.45 0.28 0.01 -0.04 2.03 1.83 3hs5A1 PRO 296 HD2 -1.42 0.08 0.18 -0.04 3.68 2.48 3hs5A1 PRO 296 HD3 -0.54 0.17 0.16 -0.04 3.65 3.40 3hs5A1 GLY 297 H -0.42 0.13 -0.32 -0.55 8.43 7.28 3hs5A1 GLY 297 HA2 -0.19 0.10 0.41 -0.51 4.01 3.81 3hs5A1 GLY 297 HA3 -2.09 0.07 0.22 -0.51 4.01 1.70 3hs5A1 LEU 298 H -0.22 0.26 -0.19 -0.55 8.37 7.67 3hs5A1 LEU 298 HA -0.08 0.10 0.60 -0.75 4.35 4.22 3hs5A1 LEU 298 HB2 -0.14 0.23 0.20 -0.04 1.64 1.90 3hs5A1 LEU 298 HB3 -0.60 -0.02 0.05 -0.04 1.64 1.03 3hs5A1 LEU 298 HG -0.01 -0.09 -0.00 -0.04 1.64 1.50 3hs5A1 LEU 298 HD13 -0.02 -0.02 -0.05 -0.04 0.93 0.81 3hs5A1 LEU 298 HD23 -0.25 0.02 -0.11 -0.04 0.89 0.50 3hs5A1 MET 299 H -0.09 0.37 -0.02 -0.55 8.47 8.19 3hs5A1 MET 299 HA 0.04 0.04 0.46 -0.75 4.52 4.31 3hs5A1 MET 299 HB2 -0.03 -0.04 0.11 -0.04 2.15 2.15 3hs5A1 MET 299 HB3 0.03 -0.00 -0.04 -0.04 2.03 1.98 3hs5A1 MET 299 HG2 0.12 0.27 -0.01 -0.04 2.63 2.96 3hs5A1 MET 299 HG3 0.26 -0.03 -0.03 -0.04 2.56 2.72 3hs5A1 MET 299 HE3 0.03 -0.01 -0.03 -0.04 2.10 2.05 3hs5A1 MET 300 H -0.11 0.51 -0.26 -0.55 8.47 8.06 3hs5A1 MET 300 HA -0.18 0.03 0.48 -0.75 4.52 4.09 3hs5A1 MET 300 HB2 -0.07 0.01 0.09 -0.04 2.15 2.13 3hs5A1 MET 300 HB3 -0.07 0.16 0.12 -0.04 2.03 2.21 3hs5A1 MET 300 HG2 -0.30 0.00 -0.29 -0.04 2.63 2.00 3hs5A1 MET 300 HG3 -0.12 -0.04 0.01 -0.04 2.56 2.36 3hs5A1 MET 300 HE3 -0.34 0.00 -0.05 -0.04 2.10 1.66 3hs5A1 TYR 301 H -0.05 0.33 -0.23 -0.55 8.29 7.78 3hs5A1 TYR 301 HA -0.15 0.04 0.45 -0.75 4.56 4.14 3hs5A1 TYR 301 HB2 -0.42 0.11 0.16 -0.04 3.06 2.86 3hs5A1 TYR 301 HB3 -0.84 -0.03 -0.04 -0.04 2.98 2.03 3hs5A1 TYR 301 HD2 -0.00 0.06 -0.05 -0.04 7.15 7.12 3hs5A1 TYR 301 HE2 0.32 -0.03 -0.09 -0.04 6.85 7.01 3hs5A1 ALA 302 H -0.04 0.68 -0.00 -0.55 8.40 8.49 3hs5A1 ALA 302 HA 0.23 -0.00 0.47 -0.75 4.34 4.28 3hs5A1 ALA 302 HB3 0.17 0.01 0.07 -0.04 1.41 1.62 3hs5A1 THR 303 H -0.04 0.56 -0.29 -0.55 8.28 7.97 3hs5A1 THR 303 HA -0.05 0.03 0.49 -0.75 4.39 4.10 3hs5A1 THR 303 HB -0.12 0.10 0.20 -0.04 4.32 4.46 3hs5A1 THR 303 HG23 -0.24 -0.03 0.04 -0.04 1.22 0.95 3hs5A1 ILE 304 H -0.11 0.51 -0.01 -0.55 8.25 8.09 3hs5A1 ILE 304 HA -0.17 0.07 0.43 -0.75 4.18 3.76 3hs5A1 ILE 304 HB -0.21 0.03 0.19 -0.04 1.89 1.86 3hs5A1 ILE 304 HG12 -0.20 0.01 -0.03 -0.04 1.49 1.23 3hs5A1 ILE 304 HG13 -0.20 0.09 0.08 -0.04 1.21 1.14 3hs5A1 ILE 304 HG23 -0.45 -0.00 -0.21 -0.04 0.93 0.23 3hs5A1 ILE 304 HD13 -0.31 -0.04 -0.12 -0.04 0.88 0.38 3hs5A1 TRP 305 H 0.10 0.67 -0.13 -0.55 7.97 8.07 3hs5A1 TRP 305 HA 0.01 0.00 0.41 -0.75 4.62 4.29 3hs5A1 TRP 305 HB2 -0.06 0.12 0.09 -0.04 3.23 3.35 3hs5A1 TRP 305 HB3 -0.05 -0.05 -0.02 -0.04 3.23 3.07 3hs5A1 TRP 305 HD1 -0.25 0.09 -0.12 -0.04 7.22 6.91 3hs5A1 TRP 305 HE1 -0.11 -0.04 -0.06 -0.04 10.20 9.95 3hs5A1 TRP 305 HE3 0.07 -0.03 0.00 -0.04 7.59 7.60 3hs5A1 TRP 305 HZ2 0.25 -0.03 -0.08 -0.04 7.44 7.55 3hs5A1 TRP 305 HZ3 0.11 0.01 -0.04 -0.04 7.13 7.17 3hs5A1 TRP 305 HH2 0.14 0.00 -0.23 -0.04 7.19 7.07 3hs5A1 LEU 306 H 0.10 0.49 -0.21 -0.55 8.37 8.20 3hs5A1 LEU 306 HA 0.08 -0.00 0.52 -0.75 4.35 4.19 3hs5A1 LEU 306 HB2 0.03 0.08 0.18 -0.04 1.64 1.89 3hs5A1 LEU 306 HB3 -0.00 0.09 0.17 -0.04 1.64 1.86 3hs5A1 LEU 306 HG 0.06 -0.08 0.05 -0.04 1.64 1.63 3hs5A1 LEU 306 HD13 0.05 0.06 0.04 -0.04 0.93 1.04 3hs5A1 LEU 306 HD23 0.01 -0.00 -0.33 -0.04 0.89 0.53 3hs5A1 ARG 307 H -0.04 0.63 -0.06 -0.55 8.46 8.44 3hs5A1 ARG 307 HA -0.08 -0.02 0.47 -0.75 4.34 3.95 3hs5A1 ARG 307 HB2 -0.11 0.18 0.21 -0.04 1.90 2.13 3hs5A1 ARG 307 HB3 -0.11 -0.05 0.05 -0.04 1.80 1.65 3hs5A1 ARG 307 HG2 -0.18 -0.12 0.07 -0.04 1.67 1.40 3hs5A1 ARG 307 HG3 -0.15 0.18 0.11 -0.04 1.67 1.76 3hs5A1 ARG 307 HD2 -0.18 0.03 0.08 -0.04 3.22 3.11 3hs5A1 ARG 307 HD3 -0.17 -0.02 0.13 -0.04 3.22 3.13 3hs5A1 GLU 308 H -0.01 0.55 -0.12 -0.55 8.60 8.47 3hs5A1 GLU 308 HA -0.01 0.01 0.46 -0.75 4.29 4.00 3hs5A1 GLU 308 HB2 -0.15 0.07 0.08 -0.04 2.09 2.05 3hs5A1 GLU 308 HB3 0.17 0.08 0.15 -0.04 1.99 2.35 3hs5A1 GLU 308 HG2 0.06 -0.04 -0.05 -0.04 2.34 2.27 3hs5A1 GLU 308 HG3 0.21 -0.01 -0.21 -0.04 2.34 2.29 3hs5A1 HIS 309 H 0.25 0.63 -0.13 -0.55 8.41 8.61 3hs5A1 HIS 309 HA 0.16 0.00 0.42 -0.75 4.63 4.45 3hs5A1 HIS 309 HB2 0.18 -0.01 0.11 -0.04 3.26 3.51 3hs5A1 HIS 309 HB3 0.13 0.17 0.21 -0.04 3.20 3.66 3hs5A1 HIS 309 HD2 0.17 -0.14 -0.19 -0.04 6.97 6.76 3hs5A1 HIS 309 HE1 -0.39 0.10 0.08 -0.04 7.75 7.49 3hs5A1 ASN 310 H 0.14 0.53 -0.12 -0.55 8.53 8.54 3hs5A1 ASN 310 HA 0.06 0.00 0.45 -0.75 4.76 4.52 3hs5A1 ASN 310 HB2 -0.03 0.13 0.14 -0.04 2.88 3.09 3hs5A1 ASN 310 HB3 -0.02 -0.06 0.04 -0.04 2.79 2.72 3hs5A1 ASN 310 HD21 0.17 0.36 0.04 -0.04 7.03 7.57 3hs5A1 ASN 310 HD22 -0.21 -0.05 -0.03 -0.04 7.74 7.41 3hs5A1 ARG 311 H -0.00 0.56 -0.18 -0.55 8.46 8.29 3hs5A1 ARG 311 HA -0.02 -0.01 0.50 -0.75 4.34 4.06 3hs5A1 ARG 311 HB2 -0.04 0.14 0.12 -0.04 1.90 2.07 3hs5A1 ARG 311 HB3 -0.01 0.09 0.15 -0.04 1.80 1.99 3hs5A1 ARG 311 HG2 -0.02 -0.09 -0.11 -0.04 1.67 1.42 3hs5A1 ARG 311 HG3 -0.03 -0.03 0.04 -0.04 1.67 1.61 3hs5A1 ARG 311 HD2 -0.04 -0.02 -0.01 -0.04 3.22 3.12 3hs5A1 ARG 311 HD3 -0.05 0.09 -0.08 -0.04 3.22 3.14 3hs5A1 VAL 312 H -0.00 0.64 -0.08 -0.55 8.24 8.25 3hs5A1 VAL 312 HA 0.02 -0.03 0.51 -0.75 4.13 3.87 3hs5A1 VAL 312 HB -0.03 0.16 0.18 -0.04 2.12 2.39 3hs5A1 VAL 312 HG13 0.06 -0.02 -0.03 -0.04 0.97 0.93 3hs5A1 VAL 312 HG23 0.07 0.03 0.02 -0.04 0.95 1.03 3hs5A1 CYS 313 H -0.09 0.52 -0.19 -0.55 8.50 8.19 3hs5A1 CYS 313 HA 0.02 -0.01 0.48 -0.75 4.58 4.32 3hs5A1 CYS 313 HB2 0.00 0.11 0.16 -0.04 2.97 3.21 3hs5A1 CYS 313 HB3 0.06 0.14 0.02 -0.04 2.97 3.15 3hs5A1 ASP 314 H 0.00 0.50 -0.17 -0.55 8.40 8.19 3hs5A1 ASP 314 HA 0.02 -0.01 0.45 -0.75 4.63 4.33 3hs5A1 ASP 314 HB2 -0.01 0.22 0.22 -0.04 2.71 3.10 3hs5A1 ASP 314 HB3 -0.00 -0.08 0.01 -0.04 2.70 2.59 3hs5A1 ILE 315 H 0.00 0.49 -0.15 -0.55 8.25 8.04 3hs5A1 ILE 315 HA -0.02 -0.00 0.40 -0.75 4.18 3.81 3hs5A1 ILE 315 HB 0.01 0.13 0.18 -0.04 1.89 2.18 3hs5A1 ILE 315 HG12 -0.01 -0.06 0.01 -0.04 1.49 1.39 3hs5A1 ILE 315 HG13 -0.01 0.06 0.04 -0.04 1.21 1.27 3hs5A1 ILE 315 HG23 -0.00 -0.02 -0.15 -0.04 0.93 0.72 3hs5A1 ILE 315 HD13 0.00 -0.01 -0.06 -0.04 0.88 0.77 3hs5A1 LEU 316 H 0.03 0.65 -0.09 -0.55 8.37 8.42 3hs5A1 LEU 316 HA -0.02 -0.03 0.42 -0.75 4.35 3.97 3hs5A1 LEU 316 HB2 0.14 0.14 0.12 -0.04 1.64 2.00 3hs5A1 LEU 316 HB3 0.17 -0.08 -0.00 -0.04 1.64 1.69 3hs5A1 LEU 316 HG 0.10 0.08 0.03 -0.04 1.64 1.81 3hs5A1 LEU 316 HD13 0.25 0.00 -0.12 -0.04 0.93 1.01 3hs5A1 LEU 316 HD23 0.14 -0.01 -0.01 -0.04 0.89 0.96 3hs5A1 LYS 317 H 0.04 0.57 -0.23 -0.55 8.42 8.25 3hs5A1 LYS 317 HA 0.05 0.10 0.43 -0.75 4.32 4.16 3hs5A1 LYS 317 HB2 0.08 0.05 0.09 -0.04 1.87 2.04 3hs5A1 LYS 317 HB3 0.03 0.09 0.11 -0.04 1.79 1.98 3hs5A1 LYS 317 HG2 0.03 -0.02 -0.19 -0.04 1.46 1.24 3hs5A1 LYS 317 HG3 0.07 0.03 0.03 -0.04 1.46 1.55 3hs5A1 LYS 317 HD2 0.08 -0.05 -0.00 -0.04 1.69 1.67 3hs5A1 LYS 317 HD3 0.05 -0.00 -0.03 -0.04 1.68 1.66 3hs5A1 LYS 317 HE2 0.06 -0.07 -0.01 -0.04 2.99 2.93 3hs5A1 LYS 317 HE3 0.04 0.00 -0.01 -0.04 2.99 2.98 3hs5A1 GLN 318 H -0.03 0.46 -0.23 -0.55 8.47 8.12 3hs5A1 GLN 318 HA -0.05 -0.00 0.44 -0.75 4.36 4.00 3hs5A1 GLN 318 HB2 -0.03 0.04 0.12 -0.04 2.15 2.23 3hs5A1 GLN 318 HB3 -0.05 0.14 0.16 -0.04 2.02 2.22 3hs5A1 GLN 318 HG2 -0.06 -0.02 -0.13 -0.04 2.40 2.15 3hs5A1 GLN 318 HG3 -0.04 -0.04 0.05 -0.04 2.39 2.31 3hs5A1 GLN 318 HE21 -0.02 -0.03 -0.01 -0.04 6.97 6.86 3hs5A1 GLN 318 HE22 -0.03 -0.02 -0.00 -0.04 7.69 7.60 3hs5A1 GLU 319 H -0.14 0.48 -0.08 -0.55 8.60 8.31 3hs5A1 GLU 319 HA -0.27 -0.02 0.50 -0.75 4.29 3.75 3hs5A1 GLU 319 HB2 -0.30 0.08 0.18 -0.04 2.09 2.01 3hs5A1 GLU 319 HB3 -0.75 -0.05 0.02 -0.04 1.99 1.17 3hs5A1 GLU 319 HG2 -0.13 0.14 0.03 -0.04 2.34 2.34 3hs5A1 GLU 319 HG3 -0.15 -0.11 -0.01 -0.04 2.34 2.04 3hs5A1 HIS 320 H -0.25 0.62 -0.29 -0.55 8.41 7.95 3hs5A1 HIS 320 HA -0.35 0.12 0.94 -0.75 4.63 4.60 3hs5A1 HIS 320 HB2 -1.03 0.12 0.19 -0.04 3.26 2.51 3hs5A1 HIS 320 HB3 -1.32 -0.19 0.11 -0.04 3.20 1.75 3hs5A1 HIS 320 HD2 -1.05 0.04 0.05 -0.04 6.97 5.97 3hs5A1 HIS 320 HE1 -0.19 -0.08 -0.03 -0.04 7.75 7.41 3hs5A1 PRO 321 HA 0.02 0.18 0.58 -0.51 4.44 4.72 3hs5A1 PRO 321 HB2 0.01 -0.06 0.01 -0.04 2.28 2.20 3hs5A1 PRO 321 HB3 -0.01 0.04 0.13 -0.04 2.02 2.14 3hs5A1 PRO 321 HG2 -0.02 -0.07 0.06 -0.04 2.03 1.95 3hs5A1 PRO 321 HG3 -0.04 0.03 0.06 -0.04 2.03 2.04 3hs5A1 PRO 321 HD2 -0.13 0.10 0.10 -0.04 3.68 3.71 3hs5A1 PRO 321 HD3 -0.11 0.39 -0.26 -0.04 3.65 3.62 3hs5A1 GLU 322 H 0.03 0.06 -0.34 -0.55 8.60 7.80 3hs5A1 GLU 322 HA 0.10 0.12 0.52 -0.75 4.29 4.28 3hs5A1 GLU 322 HB2 0.11 -0.03 0.09 -0.04 2.09 2.22 3hs5A1 GLU 322 HB3 0.07 -0.01 0.05 -0.04 1.99 2.06 3hs5A1 GLU 322 HG2 0.36 0.01 -0.34 -0.04 2.34 2.33 3hs5A1 GLU 322 HG3 0.17 -0.03 -0.04 -0.04 2.34 2.40 3hs5A1 TRP 323 H 0.27 0.38 -0.31 -0.55 7.97 7.76 3hs5A1 TRP 323 HA 0.01 -0.03 0.50 -0.75 4.62 4.35 3hs5A1 TRP 323 HB2 0.07 0.29 0.09 -0.04 3.23 3.64 3hs5A1 TRP 323 HB3 0.02 -0.02 -0.07 -0.04 3.23 3.11 3hs5A1 TRP 323 HD1 -0.02 -0.04 -0.18 -0.04 7.22 6.94 3hs5A1 TRP 323 HE1 -0.22 -0.01 -0.03 -0.04 10.20 9.89 3hs5A1 TRP 323 HE3 -0.01 0.00 -0.17 -0.04 7.59 7.37 3hs5A1 TRP 323 HZ2 -0.46 -0.02 -0.00 -0.04 7.44 6.92 3hs5A1 TRP 323 HZ3 -0.03 0.03 -0.08 -0.04 7.13 7.00 3hs5A1 TRP 323 HH2 -0.17 -0.04 -0.01 -0.04 7.19 6.93 3hs5A1 GLY 324 H 0.07 0.02 0.16 -0.55 8.43 8.14 3hs5A1 GLY 324 HA2 0.11 0.26 0.74 -0.51 4.01 4.61 3hs5A1 GLY 324 HA3 0.06 -0.02 0.36 -0.51 4.01 3.91 3hs5A1 ASP 325 H 0.08 0.23 0.13 -0.55 8.40 8.29 3hs5A1 ASP 325 HA 0.12 0.04 0.25 -0.75 4.63 4.29 3hs5A1 ASP 325 HB2 0.10 0.02 -0.03 -0.04 2.71 2.75 3hs5A1 ASP 325 HB3 0.10 0.06 0.08 -0.04 2.70 2.91 3hs5A1 GLU 326 H 0.05 0.10 -0.13 -0.55 8.60 8.07 3hs5A1 GLU 326 HA 0.07 0.12 0.35 -0.75 4.29 4.08 3hs5A1 GLU 326 HB2 0.04 0.03 0.09 -0.04 2.09 2.21 3hs5A1 GLU 326 HB3 -0.01 -0.03 0.07 -0.04 1.99 1.98 3hs5A1 GLU 326 HG2 0.02 0.03 -0.02 -0.04 2.34 2.32 3hs5A1 GLU 326 HG3 0.02 0.02 -0.17 -0.04 2.34 2.16 3hs5A1 GLN 327 H -0.09 0.07 -0.18 -0.55 8.47 7.72 3hs5A1 GLN 327 HA -0.24 0.08 0.44 -0.75 4.36 3.88 3hs5A1 GLN 327 HB2 -0.46 -0.04 0.09 -0.04 2.15 1.70 3hs5A1 GLN 327 HB3 -0.65 0.05 0.05 -0.04 2.02 1.42 3hs5A1 GLN 327 HG2 -1.93 0.05 -0.09 -0.04 2.40 0.39 3hs5A1 GLN 327 HG3 -0.73 0.01 0.06 -0.04 2.39 1.69 3hs5A1 GLN 327 HE21 -0.51 0.00 -0.01 -0.04 6.97 6.41 3hs5A1 GLN 327 HE22 -0.82 0.04 -0.00 -0.04 7.69 6.87 3hs5A1 LEU 328 H 0.07 0.37 -0.27 -0.55 8.37 7.99 3hs5A1 LEU 328 HA 0.32 0.05 0.39 -0.75 4.35 4.36 3hs5A1 LEU 328 HB2 0.18 -0.07 -0.11 -0.04 1.64 1.59 3hs5A1 LEU 328 HB3 0.19 0.13 -0.17 -0.04 1.64 1.75 3hs5A1 LEU 328 HG 0.41 -0.03 -0.18 -0.04 1.64 1.80 3hs5A1 LEU 328 HD13 0.18 0.00 -0.32 -0.04 0.93 0.76 3hs5A1 LEU 328 HD23 0.36 0.05 -0.18 -0.04 0.89 1.09 3hs5A1 PHE 329 H 0.22 0.52 -0.07 -0.55 8.34 8.45 3hs5A1 PHE 329 HA 0.17 0.21 0.54 -0.75 4.62 4.79 3hs5A1 PHE 329 HB2 0.02 -0.05 0.12 -0.04 3.15 3.21 3hs5A1 PHE 329 HB3 -0.01 0.03 0.20 -0.04 3.06 3.23 3hs5A1 PHE 329 HD2 0.03 0.13 -0.06 -0.04 7.28 7.34 3hs5A1 PHE 329 HE2 -0.08 -0.00 -0.07 -0.04 7.38 7.19 3hs5A1 PHE 329 HZ -0.23 0.02 -0.04 -0.04 7.32 7.03 3hs5A1 GLN 330 H 0.11 0.50 -0.05 -0.55 8.47 8.48 3hs5A1 GLN 330 HA -0.23 0.02 0.28 -0.75 4.36 3.68 3hs5A1 GLN 330 HB2 -0.06 0.02 0.13 -0.04 2.15 2.20 3hs5A1 GLN 330 HB3 -0.03 -0.02 0.04 -0.04 2.02 1.97 3hs5A1 GLN 330 HG2 0.23 0.17 0.12 -0.04 2.40 2.87 3hs5A1 GLN 330 HG3 0.05 -0.07 -0.01 -0.04 2.39 2.32 3hs5A1 GLN 330 HE21 0.20 -0.00 -0.02 -0.04 6.97 7.11 3hs5A1 GLN 330 HE22 0.18 -0.04 -0.01 -0.04 7.69 7.78 3hs5A1 THR 331 H -0.05 0.56 -0.13 -0.55 8.28 8.11 3hs5A1 THR 331 HA 0.04 0.07 0.48 -0.75 4.39 4.22 3hs5A1 THR 331 HB 0.25 0.06 0.07 -0.04 4.32 4.65 3hs5A1 THR 331 HG23 0.33 0.01 -0.15 -0.04 1.22 1.37 3hs5A1 SER 332 H 0.01 0.52 -0.19 -0.55 8.46 8.26 3hs5A1 SER 332 HA 0.07 -0.01 0.47 -0.75 4.49 4.26 3hs5A1 SER 332 HB2 -0.21 0.18 0.18 -0.04 3.95 4.05 3hs5A1 SER 332 HB3 -0.30 -0.06 0.05 -0.04 3.93 3.57 3hs5A1 ARG 333 H -0.22 0.55 -0.13 -0.55 8.46 8.10 3hs5A1 ARG 333 HA 0.06 -0.02 0.46 -0.75 4.34 4.09 3hs5A1 ARG 333 HB2 -1.09 0.03 0.09 -0.04 1.90 0.88 3hs5A1 ARG 333 HB3 -0.39 0.14 0.16 -0.04 1.80 1.67 3hs5A1 ARG 333 HG2 -0.12 -0.01 -0.24 -0.04 1.67 1.25 3hs5A1 ARG 333 HG3 -0.29 -0.06 0.00 -0.04 1.67 1.28 3hs5A1 ARG 333 HD2 -0.83 -0.01 -0.02 -0.04 3.22 2.32 3hs5A1 ARG 333 HD3 -0.23 -0.03 -0.03 -0.04 3.22 2.90 3hs5A1 LEU 334 H 0.04 0.52 -0.11 -0.55 8.37 8.27 3hs5A1 LEU 334 HA 0.20 -0.01 0.44 -0.75 4.35 4.23 3hs5A1 LEU 334 HB2 0.22 0.16 0.17 -0.04 1.64 2.15 3hs5A1 LEU 334 HB3 0.41 -0.04 -0.01 -0.04 1.64 1.96 3hs5A1 LEU 334 HG 0.05 0.16 0.09 -0.04 1.64 1.90 3hs5A1 LEU 334 HD13 0.02 0.01 0.03 -0.04 0.93 0.95 3hs5A1 LEU 334 HD23 0.13 -0.03 -0.01 -0.04 0.89 0.95 3hs5A1 ILE 335 H 0.25 0.56 -0.14 -0.55 8.25 8.37 3hs5A1 ILE 335 HA 0.14 0.01 0.49 -0.75 4.18 4.06 3hs5A1 ILE 335 HB 0.17 0.13 0.21 -0.04 1.89 2.36 3hs5A1 ILE 335 HG12 0.18 0.03 0.04 -0.04 1.49 1.70 3hs5A1 ILE 335 HG13 0.39 0.04 0.07 -0.04 1.21 1.67 3hs5A1 ILE 335 HG23 0.12 -0.03 -0.11 -0.04 0.93 0.88 3hs5A1 ILE 335 HD13 0.19 0.03 -0.01 -0.04 0.88 1.06 3hs5A1 LEU 336 H 0.20 0.60 -0.14 -0.55 8.37 8.49 3hs5A1 LEU 336 HA 0.30 -0.01 0.40 -0.75 4.35 4.29 3hs5A1 LEU 336 HB2 0.30 0.16 0.14 -0.04 1.64 2.20 3hs5A1 LEU 336 HB3 0.18 -0.08 -0.06 -0.04 1.64 1.64 3hs5A1 LEU 336 HG 0.54 -0.07 -0.03 -0.04 1.64 2.04 3hs5A1 LEU 336 HD13 0.23 0.03 -0.12 -0.04 0.93 1.03 3hs5A1 LEU 336 HD23 0.44 -0.02 -0.05 -0.04 0.89 1.23 3hs5A1 ILE 337 H 0.18 0.61 -0.15 -0.55 8.25 8.34 3hs5A1 ILE 337 HA 0.08 -0.05 0.48 -0.75 4.18 3.94 3hs5A1 ILE 337 HB 0.20 0.14 0.18 -0.04 1.89 2.36 3hs5A1 ILE 337 HG12 0.10 -0.12 -0.18 -0.04 1.49 1.25 3hs5A1 ILE 337 HG13 0.13 0.13 -0.03 -0.04 1.21 1.40 3hs5A1 ILE 337 HG23 0.14 -0.01 -0.09 -0.04 0.93 0.93 3hs5A1 ILE 337 HD13 0.09 0.01 -0.05 -0.04 0.88 0.89 3hs5A1 GLY 338 H 0.22 0.59 -0.14 -0.55 8.43 8.56 3hs5A1 GLY 338 HA2 0.27 -0.01 0.39 -0.51 4.01 4.15 3hs5A1 GLY 338 HA3 0.23 0.10 0.29 -0.51 4.01 4.11 3hs5A1 GLU 339 H 0.20 0.60 -0.09 -0.55 8.60 8.76 3hs5A1 GLU 339 HA 0.20 0.09 0.45 -0.75 4.29 4.27 3hs5A1 GLU 339 HB2 0.40 0.10 0.15 -0.04 2.09 2.70 3hs5A1 GLU 339 HB3 0.40 -0.10 -0.05 -0.04 1.99 2.19 3hs5A1 GLU 339 HG2 0.16 0.06 -0.05 -0.04 2.34 2.47 3hs5A1 GLU 339 HG3 0.19 0.21 -0.08 -0.04 2.34 2.62 3hs5A1 THR 340 H 0.15 0.64 -0.25 -0.55 8.28 8.28 3hs5A1 THR 340 HA 0.28 -0.06 0.37 -0.75 4.39 4.22 3hs5A1 THR 340 HB 0.03 0.19 0.19 -0.04 4.32 4.69 3hs5A1 THR 340 HG23 0.05 -0.05 -0.08 -0.04 1.22 1.10 3hs5A1 ILE 341 H -0.02 0.59 -0.07 -0.55 8.25 8.20 3hs5A1 ILE 341 HA -0.16 -0.04 0.35 -0.75 4.18 3.58 3hs5A1 ILE 341 HB -0.48 0.10 0.11 -0.04 1.89 1.57 3hs5A1 ILE 341 HG12 -0.03 -0.05 0.07 -0.04 1.49 1.44 3hs5A1 ILE 341 HG13 0.00 0.02 0.08 -0.04 1.21 1.28 3hs5A1 ILE 341 HG23 -0.76 -0.01 -0.13 -0.04 0.93 -0.02 3hs5A1 ILE 341 HD13 0.06 0.02 -0.01 -0.04 0.88 0.91 3hs5A1 LYS 342 H -0.15 0.66 -0.16 -0.55 8.42 8.21 3hs5A1 LYS 342 HA -0.04 -0.05 0.46 -0.75 4.32 3.94 3hs5A1 LYS 342 HB2 0.34 0.02 0.10 -0.04 1.87 2.29 3hs5A1 LYS 342 HB3 0.14 0.10 0.21 -0.04 1.79 2.20 3hs5A1 LYS 342 HG2 0.15 0.07 0.07 -0.04 1.46 1.71 3hs5A1 LYS 342 HG3 0.12 -0.08 -0.31 -0.04 1.46 1.14 3hs5A1 LYS 342 HD2 0.25 -0.19 0.08 -0.04 1.69 1.78 3hs5A1 LYS 342 HD3 0.36 0.01 0.03 -0.04 1.68 2.04 3hs5A1 LYS 342 HE2 0.10 -0.01 -0.32 -0.04 2.99 2.71 3hs5A1 LYS 342 HE3 0.09 -0.03 -0.06 -0.04 2.99 2.94 3hs5A1 ILE 343 H 0.09 0.67 -0.14 -0.55 8.25 8.33 3hs5A1 ILE 343 HA 0.07 -0.02 0.35 -0.75 4.18 3.82 3hs5A1 ILE 343 HB 0.25 0.16 0.08 -0.04 1.89 2.34 3hs5A1 ILE 343 HG12 0.06 -0.32 -0.42 -0.04 1.49 0.77 3hs5A1 ILE 343 HG13 0.13 0.17 -0.23 -0.04 1.21 1.24 3hs5A1 ILE 343 HG23 0.01 -0.05 -0.17 -0.04 0.93 0.67 3hs5A1 ILE 343 HD13 0.24 0.00 -0.22 -0.04 0.88 0.86 3hs5A1 VAL 344 H -0.03 0.75 -0.11 -0.55 8.24 8.30 3hs5A1 VAL 344 HA -0.09 -0.08 0.36 -0.75 4.13 3.57 3hs5A1 VAL 344 HB -0.19 0.15 0.12 -0.04 2.12 2.16 3hs5A1 VAL 344 HG13 -0.08 -0.01 -0.15 -0.04 0.97 0.68 3hs5A1 VAL 344 HG23 -0.94 0.03 -0.01 -0.04 0.95 -0.01 3hs5A1 ILE 345 H -0.03 0.63 -0.18 -0.55 8.25 8.12 3hs5A1 ILE 345 HA 0.10 0.00 0.41 -0.75 4.18 3.94 3hs5A1 ILE 345 HB 0.04 0.11 0.08 -0.04 1.89 2.08 3hs5A1 ILE 345 HG12 0.06 -0.05 -0.06 -0.04 1.49 1.40 3hs5A1 ILE 345 HG13 -0.04 0.03 0.01 -0.04 1.21 1.17 3hs5A1 ILE 345 HG23 0.10 0.01 -0.41 -0.04 0.93 0.59 3hs5A1 ILE 345 HD13 -0.02 0.00 -0.09 -0.04 0.88 0.74 3hs5A1 GLU 346 H 0.07 0.62 -0.04 -0.55 8.60 8.71 3hs5A1 GLU 346 HA 0.05 0.12 0.12 -0.75 4.29 3.82 3hs5A1 GLU 346 HB2 0.07 0.13 0.10 -0.04 2.09 2.35 3hs5A1 GLU 346 HB3 0.04 -0.01 0.07 -0.04 1.99 2.05 3hs5A1 GLU 346 HG2 0.06 0.14 -0.18 -0.04 2.34 2.32 3hs5A1 GLU 346 HG3 0.12 -0.01 0.04 -0.04 2.34 2.45 3hs5A1 ASP 347 H 0.11 0.41 -0.11 -0.55 8.40 8.26 3hs5A1 ASP 347 HA 0.11 0.22 1.00 -0.75 4.63 5.20 3hs5A1 ASP 347 HB2 0.15 0.17 0.19 -0.04 2.71 3.18 3hs5A1 ASP 347 HB3 0.06 -0.09 0.03 -0.04 2.70 2.65 3hs5A1 TYR 348 H 0.27 0.46 0.11 -0.55 8.29 8.58 3hs5A1 TYR 348 HA 0.04 -0.00 0.34 -0.75 4.56 4.18 3hs5A1 TYR 348 HB2 -0.31 -0.06 0.04 -0.04 3.06 2.69 3hs5A1 TYR 348 HB3 -0.04 0.22 0.33 -0.04 2.98 3.44 3hs5A1 TYR 348 HD2 -0.41 0.02 -0.07 -0.04 7.15 6.65 3hs5A1 TYR 348 HE2 -0.06 0.01 -0.06 -0.04 6.85 6.71 3hs5A1 VAL 349 H 0.29 0.90 0.24 -0.55 8.24 9.12 3hs5A1 VAL 349 HA 0.12 -0.00 0.51 -0.75 4.13 4.00 3hs5A1 VAL 349 HB 0.15 0.18 0.22 -0.04 2.12 2.62 3hs5A1 VAL 349 HG13 0.09 -0.01 -0.11 -0.04 0.97 0.90 3hs5A1 VAL 349 HG23 0.33 0.01 -0.03 -0.04 0.95 1.21 3hs5A1 GLN 350 H 0.09 0.34 -0.33 -0.55 8.47 8.02 3hs5A1 GLN 350 HA -0.05 0.00 0.36 -0.75 4.36 3.92 3hs5A1 GLN 350 HB2 0.03 0.05 -0.02 -0.04 2.15 2.17 3hs5A1 GLN 350 HB3 0.07 0.00 -0.24 -0.04 2.02 1.82 3hs5A1 GLN 350 HG2 0.01 0.06 0.02 -0.04 2.40 2.44 3hs5A1 GLN 350 HG3 -0.01 -0.01 -0.22 -0.04 2.39 2.11 3hs5A1 GLN 350 HE21 -0.04 0.48 -0.05 -0.04 6.97 7.32 3hs5A1 GLN 350 HE22 -0.04 0.06 -0.04 -0.04 7.69 7.63 3hs5A1 HIS 351 H 0.14 0.42 -0.38 -0.55 8.41 8.05 3hs5A1 HIS 351 HA -0.08 0.04 0.41 -0.75 4.63 4.25 3hs5A1 HIS 351 HB2 0.07 -0.08 0.11 -0.04 3.26 3.32 3hs5A1 HIS 351 HB3 -0.01 0.13 0.22 -0.04 3.20 3.49 3hs5A1 HIS 351 HD2 -1.13 -0.01 -0.06 -0.04 6.97 5.73 3hs5A1 HIS 351 HE1 -0.21 0.11 -0.29 -0.04 7.75 7.32 3hs5A1 LEU 352 H -0.15 0.48 -0.05 -0.55 8.37 8.12 3hs5A1 LEU 352 HA -0.62 -0.06 0.36 -0.75 4.35 3.29 3hs5A1 LEU 352 HB2 -0.06 0.10 0.20 -0.04 1.64 1.84 3hs5A1 LEU 352 HB3 -0.03 -0.05 -0.07 -0.04 1.64 1.45 3hs5A1 LEU 352 HG -0.04 0.06 0.05 -0.04 1.64 1.67 3hs5A1 LEU 352 HD13 0.39 -0.02 -0.06 -0.04 0.93 1.19 3hs5A1 LEU 352 HD23 -0.29 -0.02 0.01 -0.04 0.89 0.54 3hs5A1 SER 353 H -0.26 0.60 -0.24 -0.55 8.46 8.01 3hs5A1 SER 353 HA -0.39 -0.04 0.33 -0.75 4.49 3.63 3hs5A1 SER 353 HB2 -1.90 -0.08 0.04 -0.04 3.95 1.97 3hs5A1 SER 353 HB3 -0.46 0.09 0.06 -0.04 3.93 3.58 3hs5A1 GLY 354 H -0.32 0.40 -0.21 -0.55 8.43 7.76 3hs5A1 GLY 354 HA2 -0.23 0.03 0.31 -0.51 4.01 3.61 3hs5A1 GLY 354 HA3 -0.21 0.04 0.56 -0.51 4.01 3.89 3hs5A1 TYR 355 H -0.31 -0.00 -0.27 -0.55 8.29 7.15 3hs5A1 TYR 355 HA -0.38 0.19 0.35 -0.75 4.56 3.97 3hs5A1 TYR 355 HB2 -0.14 0.09 0.04 -0.04 3.06 3.01 3hs5A1 TYR 355 HB3 -0.29 -0.16 0.11 -0.04 2.98 2.60 3hs5A1 TYR 355 HD2 -0.12 0.05 -0.18 -0.04 7.15 6.87 3hs5A1 TYR 355 HE2 0.04 -0.02 -0.05 -0.04 6.85 6.79 3hs5A1 HIS 356 H -0.37 0.60 0.37 -0.55 8.41 8.46 3hs5A1 HIS 356 HA -0.05 0.11 0.68 -0.75 4.63 4.61 3hs5A1 HIS 356 HB2 -0.27 0.09 0.06 -0.04 3.26 3.10 3hs5A1 HIS 356 HB3 0.13 -0.13 -0.01 -0.04 3.20 3.15 3hs5A1 HIS 356 HD2 0.09 0.08 -0.46 -0.04 6.97 6.64 3hs5A1 HIS 356 HE1 -0.06 -0.02 -0.03 -0.04 7.75 7.59 3hs5A1 PHE 357 H -0.55 0.11 0.04 -0.55 8.34 7.40 3hs5A1 PHE 357 HA -0.05 0.02 0.53 -0.75 4.62 4.37 3hs5A1 PHE 357 HB2 -1.52 -0.02 0.06 -0.04 3.15 1.63 3hs5A1 PHE 357 HB3 -0.67 -0.00 0.04 -0.04 3.06 2.39 3hs5A1 PHE 357 HD2 0.09 -0.03 -0.14 -0.04 7.28 7.15 3hs5A1 PHE 357 HE2 0.09 -0.06 -0.11 -0.04 7.38 7.26 3hs5A1 PHE 357 HZ 0.06 0.08 -0.00 -0.04 7.32 7.42 3hs5A1 LYS 358 H -0.45 0.10 0.10 -0.55 8.42 7.62 3hs5A1 LYS 358 HA -0.25 0.15 0.68 -0.75 4.32 4.14 3hs5A1 LYS 358 HB2 -0.19 -0.07 0.18 -0.04 1.87 1.75 3hs5A1 LYS 358 HB3 -0.19 0.07 0.03 -0.04 1.79 1.65 3hs5A1 LYS 358 HG2 -0.07 0.04 0.02 -0.04 1.46 1.41 3hs5A1 LYS 358 HG3 -0.05 0.07 -0.06 -0.04 1.46 1.37 3hs5A1 LYS 358 HD2 -0.00 -0.03 -0.00 -0.04 1.69 1.61 3hs5A1 LYS 358 HD3 -0.01 -0.03 0.02 -0.04 1.68 1.62 3hs5A1 LYS 358 HE2 -0.05 0.03 0.00 -0.04 2.99 2.93 3hs5A1 LYS 358 HE3 -0.02 0.01 0.01 -0.04 2.99 2.95 3hs5A1 LEU 359 H -0.20 0.20 0.09 -0.55 8.37 7.91 3hs5A1 LEU 359 HA -0.13 0.02 0.38 -0.75 4.35 3.85 3hs5A1 LEU 359 HB2 0.01 0.04 -0.08 -0.04 1.64 1.58 3hs5A1 LEU 359 HB3 0.08 -0.02 -0.06 -0.04 1.64 1.59 3hs5A1 LEU 359 HG 0.09 0.09 0.00 -0.04 1.64 1.78 3hs5A1 LEU 359 HD13 0.06 -0.01 -0.13 -0.04 0.93 0.82 3hs5A1 LEU 359 HD23 0.35 -0.01 -0.08 -0.04 0.89 1.11 3hs5A1 LYS 360 H 0.05 0.19 0.11 -0.55 8.42 8.22 3hs5A1 LYS 360 HA 0.03 0.17 0.82 -0.75 4.32 4.59 3hs5A1 LYS 360 HB2 -0.01 0.13 -0.21 -0.04 1.87 1.73 3hs5A1 LYS 360 HB3 0.04 -0.06 -0.02 -0.04 1.79 1.72 3hs5A1 LYS 360 HG2 -0.00 -0.01 -0.50 -0.04 1.46 0.90 3hs5A1 LYS 360 HG3 0.01 0.05 -0.07 -0.04 1.46 1.42 3hs5A1 LYS 360 HD2 0.03 0.02 -0.11 -0.04 1.69 1.58 3hs5A1 LYS 360 HD3 0.01 -0.06 -0.13 -0.04 1.68 1.46 3hs5A1 LYS 360 HE2 -0.01 0.03 -0.10 -0.04 2.99 2.86 3hs5A1 LYS 360 HE3 0.01 0.04 -0.05 -0.04 2.99 2.95 3hs5A1 PHE 361 H 0.17 0.23 0.08 -0.55 8.34 8.26 3hs5A1 PHE 361 HA -0.05 0.11 0.80 -0.75 4.62 4.72 3hs5A1 PHE 361 HB2 0.01 0.01 0.04 -0.04 3.15 3.17 3hs5A1 PHE 361 HB3 0.02 0.04 0.18 -0.04 3.06 3.25 3hs5A1 PHE 361 HD2 -0.01 0.01 -0.05 -0.04 7.28 7.19 3hs5A1 PHE 361 HE2 0.02 0.03 -0.09 -0.04 7.38 7.29 3hs5A1 PHE 361 HZ -0.13 0.01 -0.11 -0.04 7.32 7.05 3hs5A1 ASP 362 H -0.16 0.26 -0.11 -0.55 8.40 7.83 3hs5A1 ASP 362 HA -0.54 0.18 0.58 -0.75 4.63 4.09 3hs5A1 ASP 362 HB2 -0.11 0.12 -0.24 -0.04 2.71 2.44 3hs5A1 ASP 362 HB3 -0.14 0.00 0.02 -0.04 2.70 2.55 3hs5A1 PRO 363 HA -0.43 0.10 0.43 -0.51 4.44 4.03 3hs5A1 PRO 363 HB2 -1.34 -0.00 0.02 -0.04 2.28 0.91 3hs5A1 PRO 363 HB3 -0.47 0.33 0.19 -0.04 2.02 2.03 3hs5A1 PRO 363 HG2 -3.36 0.09 0.01 -0.04 2.03 -1.28 3hs5A1 PRO 363 HG3 -0.93 0.05 0.02 -0.04 2.03 1.14 3hs5A1 PRO 363 HD2 -1.56 0.11 0.10 -0.04 3.68 2.30 3hs5A1 PRO 363 HD3 -1.98 0.11 -0.12 -0.04 3.65 1.62 3hs5A1 GLU 364 H -0.61 0.08 -0.38 -0.55 8.60 7.15 3hs5A1 GLU 364 HA -1.84 0.08 0.36 -0.75 4.29 2.13 3hs5A1 GLU 364 HB2 -0.14 -0.01 0.04 -0.04 2.09 1.95 3hs5A1 GLU 364 HB3 -0.15 0.03 -0.10 -0.04 1.99 1.73 3hs5A1 GLU 364 HG2 0.06 -0.02 0.02 -0.04 2.34 2.36 3hs5A1 GLU 364 HG3 0.15 0.04 0.04 -0.04 2.34 2.54 3hs5A1 LEU 365 H -0.31 0.45 -0.27 -0.55 8.37 7.70 3hs5A1 LEU 365 HA -0.10 0.00 0.39 -0.75 4.35 3.89 3hs5A1 LEU 365 HB2 -0.15 0.11 0.01 -0.04 1.64 1.57 3hs5A1 LEU 365 HB3 -0.08 -0.02 0.05 -0.04 1.64 1.55 3hs5A1 LEU 365 HG -0.13 -0.03 0.06 -0.04 1.64 1.51 3hs5A1 LEU 365 HD13 -0.03 -0.01 -0.07 -0.04 0.93 0.78 3hs5A1 LEU 365 HD23 -0.04 0.01 0.01 -0.04 0.89 0.83 3hs5A1 LEU 366 H -0.29 0.48 -0.36 -0.55 8.37 7.66 3hs5A1 LEU 366 HA -0.04 0.16 0.82 -0.75 4.35 4.53 3hs5A1 LEU 366 HB2 -0.06 0.17 0.03 -0.04 1.64 1.74 3hs5A1 LEU 366 HB3 -0.11 -0.02 -0.00 -0.04 1.64 1.47 3hs5A1 LEU 366 HG -0.26 -0.07 -0.15 -0.04 1.64 1.12 3hs5A1 LEU 366 HD13 -0.94 0.01 -0.08 -0.04 0.93 -0.13 3hs5A1 LEU 366 HD23 -0.25 0.01 -0.13 -0.04 0.89 0.48 3hs5A1 PHE 367 H -0.03 0.40 -0.15 -0.55 8.34 8.02 3hs5A1 PHE 367 HA 0.14 0.08 0.26 -0.75 4.62 4.35 3hs5A1 PHE 367 HB2 0.08 0.09 0.13 -0.04 3.15 3.41 3hs5A1 PHE 367 HB3 0.10 -0.06 0.08 -0.04 3.06 3.14 3hs5A1 PHE 367 HD2 0.15 -0.02 -0.03 -0.04 7.28 7.34 3hs5A1 PHE 367 HE2 0.17 0.18 -0.02 -0.04 7.38 7.67 3hs5A1 PHE 367 HZ 0.24 0.05 -0.22 -0.04 7.32 7.35 3hs5A1 ASN 368 H 0.15 0.13 -0.36 -0.55 8.53 7.91 3hs5A1 ASN 368 HA 0.13 0.20 0.91 -0.75 4.76 5.24 3hs5A1 ASN 368 HB2 0.09 -0.04 0.15 -0.04 2.88 3.04 3hs5A1 ASN 368 HB3 0.12 -0.05 -0.01 -0.04 2.79 2.81 3hs5A1 ASN 368 HD21 0.06 -0.01 -0.02 -0.04 7.03 7.01 3hs5A1 ASN 368 HD22 0.07 -0.05 0.02 -0.04 7.74 7.74 3hs5A1 GLN 369 H 0.14 0.60 -0.26 -0.55 8.47 8.41 3hs5A1 GLN 369 HA 0.07 0.09 0.83 -0.75 4.36 4.60 3hs5A1 GLN 369 HB2 0.06 0.12 0.04 -0.04 2.15 2.33 3hs5A1 GLN 369 HB3 0.06 0.00 0.07 -0.04 2.02 2.11 3hs5A1 GLN 369 HG2 0.04 -0.08 -0.13 -0.04 2.40 2.19 3hs5A1 GLN 369 HG3 0.01 0.04 0.03 -0.04 2.39 2.43 3hs5A1 GLN 369 HE21 0.04 -0.06 -0.05 -0.04 6.97 6.87 3hs5A1 GLN 369 HE22 0.05 -0.08 -0.24 -0.04 7.69 7.38 3hs5A1 GLN 370 H 0.08 0.12 0.13 -0.55 8.47 8.26 3hs5A1 GLN 370 HA 0.10 0.12 0.81 -0.75 4.36 4.63 3hs5A1 GLN 370 HB2 0.06 -0.02 0.18 -0.04 2.15 2.33 3hs5A1 GLN 370 HB3 0.05 0.03 0.00 -0.04 2.02 2.06 3hs5A1 GLN 370 HG2 0.05 0.02 0.00 -0.04 2.40 2.44 3hs5A1 GLN 370 HG3 0.06 -0.02 -0.06 -0.04 2.39 2.33 3hs5A1 GLN 370 HE21 0.02 -0.03 -0.01 -0.04 6.97 6.91 3hs5A1 GLN 370 HE22 0.03 0.01 -0.01 -0.04 7.69 7.68 3hs5A1 PHE 371 H 0.10 0.30 0.13 -0.55 8.34 8.32 3hs5A1 PHE 371 HA -0.10 0.10 0.59 -0.75 4.62 4.47 3hs5A1 PHE 371 HB2 -0.09 0.04 -0.42 -0.04 3.15 2.64 3hs5A1 PHE 371 HB3 -0.26 0.01 -0.17 -0.04 3.06 2.60 3hs5A1 PHE 371 HD2 -0.69 -0.01 -0.18 -0.04 7.28 6.36 3hs5A1 PHE 371 HE2 -0.13 0.08 -0.32 -0.04 7.38 6.96 3hs5A1 PHE 371 HZ -0.06 -0.07 -0.17 -0.04 7.32 6.99 3hs5A1 GLN 372 H -0.87 0.25 0.09 -0.55 8.47 7.39 3hs5A1 GLN 372 HA -0.19 0.08 0.78 -0.75 4.36 4.27 3hs5A1 GLN 372 HB2 -0.36 0.06 0.11 -0.04 2.15 1.92 3hs5A1 GLN 372 HB3 -0.18 -0.02 -0.11 -0.04 2.02 1.67 3hs5A1 GLN 372 HG2 -0.16 -0.06 -0.10 -0.04 2.40 2.03 3hs5A1 GLN 372 HG3 -0.12 0.26 -0.09 -0.04 2.39 2.39 3hs5A1 GLN 372 HE21 -0.01 -0.05 -0.06 -0.04 6.97 6.81 3hs5A1 GLN 372 HE22 -0.04 -0.03 -0.17 -0.04 7.69 7.40 3hs5A1 TYR 373 H 0.03 0.13 0.05 -0.55 8.29 7.95 3hs5A1 TYR 373 HA 0.04 0.17 0.67 -0.75 4.56 4.69 3hs5A1 TYR 373 HB2 0.06 -0.11 0.18 -0.04 3.06 3.15 3hs5A1 TYR 373 HB3 0.08 0.06 0.00 -0.04 2.98 3.07 3hs5A1 TYR 373 HD2 0.20 0.09 -0.05 -0.04 7.15 7.35 3hs5A1 TYR 373 HE2 0.22 0.04 -0.11 -0.04 6.85 6.96 3hs5A1 GLN 374 H -0.14 0.65 0.03 -0.55 8.47 8.47 3hs5A1 GLN 374 HA 0.01 0.09 0.40 -0.75 4.36 4.10 3hs5A1 GLN 374 HB2 -0.03 -0.02 0.05 -0.04 2.15 2.10 3hs5A1 GLN 374 HB3 0.00 0.08 -0.05 -0.04 2.02 2.01 3hs5A1 GLN 374 HG2 -0.09 -0.12 -0.39 -0.04 2.40 1.77 3hs5A1 GLN 374 HG3 -0.09 0.03 -0.32 -0.04 2.39 1.97 3hs5A1 GLN 374 HE21 0.02 -0.03 -0.07 -0.04 6.97 6.85 3hs5A1 GLN 374 HE22 -0.01 -0.03 -0.16 -0.04 7.69 7.45 3hs5A1 ASN 375 H -0.04 0.30 0.15 -0.55 8.53 8.40 3hs5A1 ASN 375 HA -0.06 0.08 0.59 -0.75 4.76 4.61 3hs5A1 ASN 375 HB2 -0.02 0.14 -0.36 -0.04 2.88 2.61 3hs5A1 ASN 375 HB3 -0.01 0.11 -0.04 -0.04 2.79 2.81 3hs5A1 ASN 375 HD21 -0.08 -0.15 -0.17 -0.04 7.03 6.59 3hs5A1 ASN 375 HD22 -0.07 0.28 -0.02 -0.04 7.74 7.89 3hs5A1 ARG 376 H -0.04 0.27 0.12 -0.55 8.46 8.26 3hs5A1 ARG 376 HA -0.25 0.16 0.67 -0.75 4.34 4.16 3hs5A1 ARG 376 HB2 -0.21 0.03 -0.03 -0.04 1.90 1.65 3hs5A1 ARG 376 HB3 -0.10 -0.07 0.06 -0.04 1.80 1.66 3hs5A1 ARG 376 HG2 -0.23 0.01 -0.05 -0.04 1.67 1.36 3hs5A1 ARG 376 HG3 -0.26 -0.03 -0.02 -0.04 1.67 1.32 3hs5A1 ARG 376 HD2 -0.71 0.10 0.03 -0.04 3.22 2.60 3hs5A1 ARG 376 HD3 -1.44 -0.00 0.15 -0.04 3.22 1.88 3hs5A1 ILE 377 H 0.77 0.19 0.10 -0.55 8.25 8.77 3hs5A1 ILE 377 HA 0.15 0.05 0.41 -0.75 4.18 4.04 3hs5A1 ILE 377 HB 0.35 0.02 0.14 -0.04 1.89 2.36 3hs5A1 ILE 377 HG12 0.12 0.02 -0.10 -0.04 1.49 1.49 3hs5A1 ILE 377 HG13 0.03 0.05 -0.02 -0.04 1.21 1.22 3hs5A1 ILE 377 HG23 0.45 0.02 -0.19 -0.04 0.93 1.17 3hs5A1 ILE 377 HD13 -0.29 -0.01 -0.20 -0.04 0.88 0.34 3hs5A1 ALA 378 H 0.02 0.14 0.20 -0.55 8.40 8.21 3hs5A1 ALA 378 HA 0.05 0.26 0.61 -0.75 4.34 4.51 3hs5A1 ALA 378 HB3 -0.29 -0.01 0.05 -0.04 1.41 1.11 3hs5A1 SER 379 H 0.01 0.90 0.26 -0.55 8.46 9.08 3hs5A1 SER 379 HA -0.52 0.06 0.47 -0.75 4.49 3.74 3hs5A1 SER 379 HB2 0.05 0.12 0.12 -0.04 3.95 4.19 3hs5A1 SER 379 HB3 0.01 -0.03 0.14 -0.04 3.93 4.01 3hs5A1 GLU 380 H -0.15 0.12 -0.14 -0.55 8.60 7.89 3hs5A1 GLU 380 HA -0.08 0.06 0.38 -0.75 4.29 3.91 3hs5A1 GLU 380 HB2 -0.04 0.03 0.00 -0.04 2.09 2.04 3hs5A1 GLU 380 HB3 -0.24 0.04 0.01 -0.04 1.99 1.75 3hs5A1 GLU 380 HG2 -0.71 0.07 0.01 -0.04 2.34 1.67 3hs5A1 GLU 380 HG3 -0.78 0.02 0.00 -0.04 2.34 1.54 3hs5A1 PHE 381 H -0.38 0.16 -0.37 -0.55 8.34 7.19 3hs5A1 PHE 381 HA -0.25 0.08 0.44 -0.75 4.62 4.14 3hs5A1 PHE 381 HB2 -1.33 -0.04 0.08 -0.04 3.15 1.83 3hs5A1 PHE 381 HB3 -0.24 0.15 0.08 -0.04 3.06 3.01 3hs5A1 PHE 381 HD2 0.09 -0.02 -0.02 -0.04 7.28 7.29 3hs5A1 PHE 381 HE2 0.02 0.02 -0.09 -0.04 7.38 7.29 3hs5A1 PHE 381 HZ 0.36 -0.02 -0.12 -0.04 7.32 7.50 3hs5A1 ASN 382 H -0.43 0.41 -0.13 -0.55 8.53 7.84 3hs5A1 ASN 382 HA -2.25 0.03 0.43 -0.75 4.76 2.22 3hs5A1 ASN 382 HB2 -0.90 0.01 0.07 -0.04 2.88 2.03 3hs5A1 ASN 382 HB3 -0.59 0.23 0.16 -0.04 2.79 2.55 3hs5A1 ASN 382 HD21 -0.17 -0.08 -0.06 -0.04 7.03 6.67 3hs5A1 ASN 382 HD22 -0.69 0.08 -0.02 -0.04 7.74 7.07 3hs5A1 THR 383 H -0.24 0.44 -0.16 -0.55 8.28 7.77 3hs5A1 THR 383 HA -0.45 0.01 0.30 -0.75 4.39 3.49 3hs5A1 THR 383 HB 0.01 0.07 0.13 -0.04 4.32 4.49 3hs5A1 THR 383 HG23 -0.07 -0.02 -0.08 -0.04 1.22 1.00 3hs5A1 LEU 384 H -0.03 0.63 -0.14 -0.55 8.37 8.29 3hs5A1 LEU 384 HA 0.13 -0.02 0.29 -0.75 4.35 4.00 3hs5A1 LEU 384 HB2 0.08 -0.06 0.06 -0.04 1.64 1.67 3hs5A1 LEU 384 HB3 0.04 -0.02 0.06 -0.04 1.64 1.68 3hs5A1 LEU 384 HG 0.18 0.19 0.12 -0.04 1.64 2.09 3hs5A1 LEU 384 HD13 0.14 -0.01 -0.20 -0.04 0.93 0.82 3hs5A1 LEU 384 HD23 0.26 -0.01 -0.15 -0.04 0.89 0.94 3hs5A1 TYR 385 H -0.06 0.35 -0.65 -0.55 8.29 7.39 3hs5A1 TYR 385 HA -0.90 0.06 0.40 -0.75 4.56 3.37 3hs5A1 TYR 385 HB2 -0.56 0.31 0.12 -0.04 3.06 2.89 3hs5A1 TYR 385 HB3 -0.49 -0.06 0.04 -0.04 2.98 2.42 3hs5A1 TYR 385 HD2 -0.98 0.00 0.02 -0.04 7.15 6.16 3hs5A1 TYR 385 HE2 -0.37 -0.03 -0.04 -0.04 6.85 6.37 3hs5A1 HIS 386 H 0.32 0.46 -0.51 -0.55 8.41 8.13 3hs5A1 HIS 386 HA 0.03 0.03 0.61 -0.75 4.63 4.56 3hs5A1 HIS 386 HB2 0.25 0.16 0.18 -0.04 3.26 3.82 3hs5A1 HIS 386 HB3 0.36 -0.15 0.12 -0.04 3.20 3.50 3hs5A1 HIS 386 HD2 -0.02 -0.06 -0.04 -0.04 6.97 6.80 3hs5A1 HIS 386 HE1 -0.33 -0.08 -0.32 -0.04 7.75 6.98 3hs5A1 TRP 387 H 0.08 0.52 -0.10 -0.55 7.97 7.92 3hs5A1 TRP 387 HA 0.16 0.19 0.42 -0.75 4.62 4.63 3hs5A1 TRP 387 HB2 0.13 0.01 0.12 -0.04 3.23 3.44 3hs5A1 TRP 387 HB3 0.17 -0.04 0.14 -0.04 3.23 3.46 3hs5A1 TRP 387 HD1 0.08 0.04 -0.40 -0.04 7.22 6.90 3hs5A1 TRP 387 HE1 -0.34 0.16 -0.05 -0.04 10.20 9.93 3hs5A1 TRP 387 HE3 0.31 -0.04 0.00 -0.04 7.59 7.82 3hs5A1 TRP 387 HZ2 -0.61 0.00 -0.09 -0.04 7.44 6.70 3hs5A1 TRP 387 HZ3 0.40 -0.03 -0.03 -0.04 7.13 7.43 3hs5A1 TRP 387 HH2 0.14 -0.01 -0.06 -0.04 7.19 7.23 3hs5A1 HIS 388 H 0.44 0.40 -0.37 -0.55 8.41 8.34 3hs5A1 HIS 388 HA 0.22 0.03 0.31 -0.75 4.63 4.42 3hs5A1 HIS 388 HB2 0.21 0.00 0.04 -0.04 3.26 3.47 3hs5A1 HIS 388 HB3 0.16 -0.04 0.06 -0.04 3.20 3.34 3hs5A1 HIS 388 HD2 0.15 -0.02 -0.03 -0.04 6.97 7.03 3hs5A1 HIS 388 HE1 -0.03 0.03 -0.07 -0.04 7.75 7.63 3hs5A1 PRO 389 HA 0.15 0.25 0.59 -0.51 4.44 4.92 3hs5A1 PRO 389 HB2 0.06 -0.00 -0.24 -0.04 2.28 2.05 3hs5A1 PRO 389 HB3 0.04 0.20 -0.01 -0.04 2.02 2.21 3hs5A1 PRO 389 HG2 0.08 0.23 0.06 -0.04 2.03 2.35 3hs5A1 PRO 389 HG3 0.10 -0.10 -0.22 -0.04 2.03 1.77 3hs5A1 PRO 389 HD2 0.25 0.06 -0.08 -0.04 3.68 3.87 3hs5A1 PRO 389 HD3 0.27 -0.03 0.05 -0.04 3.65 3.90 3hs5A1 LEU 390 H 0.19 0.35 -0.40 -0.55 8.37 7.97 3hs5A1 LEU 390 HA 0.10 0.17 0.46 -0.75 4.35 4.32 3hs5A1 LEU 390 HB2 0.20 0.16 0.11 -0.04 1.64 2.07 3hs5A1 LEU 390 HB3 0.13 -0.13 -0.02 -0.04 1.64 1.58 3hs5A1 LEU 390 HG 0.22 0.02 0.04 -0.04 1.64 1.87 3hs5A1 LEU 390 HD13 0.55 -0.03 0.03 -0.04 0.93 1.44 3hs5A1 LEU 390 HD23 0.14 0.05 0.02 -0.04 0.89 1.06 3hs5A1 LEU 391 H 0.18 0.33 -0.30 -0.55 8.37 8.03 3hs5A1 LEU 391 HA 0.02 -0.01 0.34 -0.75 4.35 3.94 3hs5A1 LEU 391 HB2 0.30 0.10 0.15 -0.04 1.64 2.15 3hs5A1 LEU 391 HB3 0.43 0.02 0.01 -0.04 1.64 2.06 3hs5A1 LEU 391 HG 0.18 -0.01 0.03 -0.04 1.64 1.80 3hs5A1 LEU 391 HD13 0.47 -0.03 0.00 -0.04 0.93 1.34 3hs5A1 LEU 391 HD23 0.21 -0.02 -0.05 -0.04 0.89 0.99 3hs5A1 PRO 392 HA -0.32 0.16 0.56 -0.51 4.44 4.34 3hs5A1 PRO 392 HB2 -0.53 -0.05 0.17 -0.04 2.28 1.82 3hs5A1 PRO 392 HB3 -0.38 0.20 0.17 -0.04 2.02 1.96 3hs5A1 PRO 392 HG2 -1.31 -0.06 -0.21 -0.04 2.03 0.40 3hs5A1 PRO 392 HG3 -0.50 0.02 0.06 -0.04 2.03 1.56 3hs5A1 PRO 392 HD2 -0.46 -0.03 0.13 -0.04 3.68 3.28 3hs5A1 PRO 392 HD3 -0.21 0.19 0.20 -0.04 3.65 3.78 3hs5A1 ASP 393 H -0.49 0.14 0.16 -0.55 8.40 7.67 3hs5A1 ASP 393 HA 0.06 0.07 0.64 -0.75 4.63 4.65 3hs5A1 ASP 393 HB2 -0.20 0.01 0.11 -0.04 2.71 2.59 3hs5A1 ASP 393 HB3 -0.04 -0.03 0.03 -0.04 2.70 2.62 3hs5A1 THR 394 H -0.35 0.18 0.02 -0.55 8.28 7.59 3hs5A1 THR 394 HA -0.16 0.18 0.62 -0.75 4.39 4.28 3hs5A1 THR 394 HB -0.06 0.01 -0.30 -0.04 4.32 3.92 3hs5A1 THR 394 HG23 -0.02 -0.03 -0.29 -0.04 1.22 0.83 3hs5A1 PHE 395 H 0.02 0.78 0.18 -0.55 8.34 8.77 3hs5A1 PHE 395 HA -0.20 0.17 0.84 -0.75 4.62 4.68 3hs5A1 PHE 395 HB2 -0.82 -0.04 0.12 -0.04 3.15 2.38 3hs5A1 PHE 395 HB3 -0.65 0.01 -0.04 -0.04 3.06 2.34 3hs5A1 PHE 395 HD2 -0.40 0.06 -0.12 -0.04 7.28 6.78 3hs5A1 PHE 395 HE2 -0.94 -0.03 -0.11 -0.04 7.38 6.26 3hs5A1 PHE 395 HZ -0.50 -0.00 -0.08 -0.04 7.32 6.70 3hs5A1 ASN 396 H 0.01 0.24 0.07 -0.55 8.53 8.30 3hs5A1 ASN 396 HA -0.05 0.20 0.70 -0.75 4.76 4.85 3hs5A1 ASN 396 HB2 -0.03 0.01 0.13 -0.04 2.88 2.95 3hs5A1 ASN 396 HB3 -0.06 0.11 -0.06 -0.04 2.79 2.74 3hs5A1 ASN 396 HD21 -0.12 -0.03 -0.03 -0.04 7.03 6.80 3hs5A1 ASN 396 HD22 -0.07 0.04 -0.00 -0.04 7.74 7.67 3hs5A1 ILE 397 H -0.08 0.35 0.15 -0.55 8.25 8.12 3hs5A1 ILE 397 HA -0.28 0.17 0.92 -0.75 4.18 4.24 3hs5A1 ILE 397 HB -0.28 -0.06 0.04 -0.04 1.89 1.55 3hs5A1 ILE 397 HG12 0.03 0.00 -0.38 -0.04 1.49 1.10 3hs5A1 ILE 397 HG13 -0.21 -0.03 -0.14 -0.04 1.21 0.79 3hs5A1 ILE 397 HG23 -0.62 0.01 -0.18 -0.04 0.93 0.10 3hs5A1 ILE 397 HD13 -1.05 0.03 -0.20 -0.04 0.88 -0.37 3hs5A1 GLU 398 H -0.16 0.18 0.08 -0.55 8.60 8.16 3hs5A1 GLU 398 HA -0.04 0.07 0.33 -0.75 4.29 3.90 3hs5A1 GLU 398 HB2 -0.05 -0.01 -0.18 -0.04 2.09 1.81 3hs5A1 GLU 398 HB3 0.05 -0.15 0.27 -0.04 1.99 2.12 3hs5A1 GLU 398 HG2 0.05 -0.01 0.08 -0.04 2.34 2.42 3hs5A1 GLU 398 HG3 0.04 0.04 0.07 -0.04 2.34 2.44 3hs5A1 ASP 399 H 0.03 0.08 0.24 -0.55 8.40 8.19 3hs5A1 ASP 399 HA -0.03 0.20 0.73 -0.75 4.63 4.78 3hs5A1 ASP 399 HB2 -0.01 -0.01 0.11 -0.04 2.71 2.77 3hs5A1 ASP 399 HB3 0.00 0.00 0.05 -0.04 2.70 2.72 3hs5A1 GLN 400 H -0.08 0.56 0.05 -0.55 8.47 8.47 3hs5A1 GLN 400 HA -0.16 0.12 0.65 -0.75 4.36 4.21 3hs5A1 GLN 400 HB2 -0.31 0.05 0.09 -0.04 2.15 1.94 3hs5A1 GLN 400 HB3 -0.75 -0.05 0.00 -0.04 2.02 1.18 3hs5A1 GLN 400 HG2 0.09 -0.09 0.00 -0.04 2.40 2.36 3hs5A1 GLN 400 HG3 0.26 0.00 0.00 -0.04 2.39 2.61 3hs5A1 GLN 400 HE21 0.02 0.00 -0.04 -0.04 6.97 6.92 3hs5A1 GLN 400 HE22 0.07 -0.02 -0.04 -0.04 7.69 7.66 3hs5A1 GLU 401 H -0.27 0.18 0.07 -0.55 8.60 8.04 3hs5A1 GLU 401 HA -0.14 0.16 0.66 -0.75 4.29 4.23 3hs5A1 GLU 401 HB2 -0.09 -0.03 0.10 -0.04 2.09 2.03 3hs5A1 GLU 401 HB3 -0.08 -0.02 -0.10 -0.04 1.99 1.75 3hs5A1 GLU 401 HG2 -0.09 0.05 -0.18 -0.04 2.34 2.09 3hs5A1 GLU 401 HG3 -0.09 0.05 -0.41 -0.04 2.34 1.84 3hs5A1 TYR 402 H 0.06 0.75 0.11 -0.55 8.29 8.66 3hs5A1 TYR 402 HA 0.11 0.06 0.66 -0.75 4.56 4.63 3hs5A1 TYR 402 HB2 0.15 0.03 0.15 -0.04 3.06 3.35 3hs5A1 TYR 402 HB3 0.25 0.02 -0.04 -0.04 2.98 3.18 3hs5A1 TYR 402 HD2 0.13 0.09 -0.01 -0.04 7.15 7.31 3hs5A1 TYR 402 HE2 0.09 0.01 -0.04 -0.04 6.85 6.88 3hs5A1 SER 403 H 0.23 0.10 0.21 -0.55 8.46 8.45 3hs5A1 SER 403 HA 0.19 0.27 0.69 -0.75 4.49 4.88 3hs5A1 SER 403 HB2 0.20 0.01 0.23 -0.04 3.95 4.34 3hs5A1 SER 403 HB3 0.15 0.12 0.18 -0.04 3.93 4.34 3hs5A1 PHE 404 H 0.51 0.23 0.20 -0.55 8.34 8.72 3hs5A1 PHE 404 HA 0.39 0.13 0.47 -0.75 4.62 4.86 3hs5A1 PHE 404 HB2 0.16 -0.04 0.20 -0.04 3.15 3.44 3hs5A1 PHE 404 HB3 0.19 0.05 -0.01 -0.04 3.06 3.25 3hs5A1 PHE 404 HD2 0.18 0.02 0.03 -0.04 7.28 7.47 3hs5A1 PHE 404 HE2 0.13 0.17 -0.02 -0.04 7.38 7.61 3hs5A1 PHE 404 HZ 0.16 0.09 -0.06 -0.04 7.32 7.46 3hs5A1 LYS 405 H 0.29 0.07 -0.02 -0.55 8.42 8.21 3hs5A1 LYS 405 HA 0.21 0.13 0.40 -0.75 4.32 4.30 3hs5A1 LYS 405 HB2 0.16 -0.01 0.12 -0.04 1.87 2.10 3hs5A1 LYS 405 HB3 0.16 -0.04 0.06 -0.04 1.79 1.92 3hs5A1 GLN 406 H 0.23 -0.04 -0.39 -0.55 8.47 7.73 3hs5A1 GLN 406 HA 0.15 0.13 0.45 -0.75 4.36 4.34 3hs5A1 GLN 406 HB2 0.32 -0.03 0.08 -0.04 2.15 2.48 3hs5A1 GLN 406 HB3 0.30 0.03 0.04 -0.04 2.02 2.34 3hs5A1 GLN 406 HG2 0.17 0.07 0.02 -0.04 2.40 2.61 3hs5A1 GLN 406 HG3 0.17 -0.09 0.01 -0.04 2.39 2.44 3hs5A1 GLN 406 HE21 0.11 0.04 0.04 -0.04 6.97 7.11 3hs5A1 GLN 406 HE22 0.12 0.02 0.02 -0.04 7.69 7.81 3hs5A1 PHE 407 H 0.29 0.22 -0.33 -0.55 8.34 7.96 3hs5A1 PHE 407 HA -0.13 0.04 0.49 -0.75 4.62 4.27 3hs5A1 PHE 407 HB2 0.00 0.14 0.02 -0.04 3.15 3.27 3hs5A1 PHE 407 HB3 -0.29 0.02 0.08 -0.04 3.06 2.83 3hs5A1 PHE 407 HD2 -0.57 0.02 -0.05 -0.04 7.28 6.64 3hs5A1 PHE 407 HE2 -0.26 -0.03 -0.06 -0.04 7.38 6.99 3hs5A1 PHE 407 HZ 0.12 -0.01 -0.09 -0.04 7.32 7.31 3hs5A1 LEU 408 H 0.15 0.49 0.04 -0.55 8.37 8.51 3hs5A1 LEU 408 HA -0.12 0.05 0.56 -0.75 4.35 4.08 3hs5A1 LEU 408 HB2 0.18 0.08 0.17 -0.04 1.64 2.03 3hs5A1 LEU 408 HB3 0.18 -0.01 -0.03 -0.04 1.64 1.74 3hs5A1 LEU 408 HG -0.06 0.06 0.08 -0.04 1.64 1.68 3hs5A1 LEU 408 HD13 0.26 -0.03 0.01 -0.04 0.93 1.14 3hs5A1 LEU 408 HD23 0.19 -0.03 -0.01 -0.04 0.89 1.00 3hs5A1 TYR 409 H -0.30 0.85 0.39 -0.55 8.29 8.68 3hs5A1 TYR 409 HA 0.01 0.31 0.41 -0.75 4.56 4.53 3hs5A1 TYR 409 HB2 0.06 0.12 -0.14 -0.04 3.06 3.05 3hs5A1 TYR 409 HB3 0.05 -0.07 0.26 -0.04 2.98 3.18 3hs5A1 TYR 409 HD2 0.05 0.05 -0.09 -0.04 7.15 7.13 3hs5A1 TYR 409 HE2 -0.06 0.07 -0.08 -0.04 6.85 6.74 3hs5A1 ASN 410 H -0.15 0.30 -0.29 -0.55 8.53 7.84 3hs5A1 ASN 410 HA -0.02 0.15 0.97 -0.75 4.76 5.09 3hs5A1 ASN 410 HB2 -0.02 0.27 -0.20 -0.04 2.88 2.89 3hs5A1 ASN 410 HB3 -0.18 0.00 0.22 -0.04 2.79 2.80 3hs5A1 ASN 410 HD21 0.01 -0.12 0.03 -0.04 7.03 6.91 3hs5A1 ASN 410 HD22 0.01 0.51 0.14 -0.04 7.74 8.36 3hs5A1 ASN 411 H -0.08 0.38 0.00 -0.55 8.53 8.29 3hs5A1 ASN 411 HA -0.10 0.04 0.56 -0.75 4.76 4.51 3hs5A1 ASN 411 HB2 -0.26 0.09 0.14 -0.04 2.88 2.81 3hs5A1 ASN 411 HB3 0.01 -0.01 0.11 -0.04 2.79 2.85 3hs5A1 ASN 411 HD21 0.24 -0.03 0.06 -0.04 7.03 7.26 3hs5A1 ASN 411 HD22 -0.38 0.44 0.18 -0.04 7.74 7.94 3hs5A1 SER 412 H -0.10 0.16 -0.24 -0.55 8.46 7.74 3hs5A1 SER 412 HA -0.10 0.09 0.44 -0.75 4.49 4.16 3hs5A1 SER 412 HB2 -0.06 0.03 0.05 -0.04 3.95 3.93 3hs5A1 SER 412 HB3 -0.08 0.03 0.08 -0.04 3.93 3.92 3hs5A1 ILE 413 H -0.09 0.29 -0.27 -0.55 8.25 7.64 3hs5A1 ILE 413 HA 0.04 0.05 0.47 -0.75 4.18 3.98 3hs5A1 ILE 413 HB -0.09 0.16 0.13 -0.04 1.89 2.05 3hs5A1 ILE 413 HG12 -0.33 -0.05 0.02 -0.04 1.49 1.09 3hs5A1 ILE 413 HG13 -0.15 -0.06 0.06 -0.04 1.21 1.03 3hs5A1 ILE 413 HG23 0.20 -0.01 -0.12 -0.04 0.93 0.96 3hs5A1 ILE 413 HD13 -0.46 0.05 0.03 -0.04 0.88 0.45 3hs5A1 LEU 414 H -0.11 0.19 -0.23 -0.55 8.37 7.68 3hs5A1 LEU 414 HA -0.77 0.03 0.35 -0.75 4.35 3.21 3hs5A1 LEU 414 HB2 -0.39 -0.06 0.11 -0.04 1.64 1.26 3hs5A1 LEU 414 HB3 -0.19 0.21 0.15 -0.04 1.64 1.77 3hs5A1 LEU 414 HG -0.20 0.01 -0.21 -0.04 1.64 1.20 3hs5A1 LEU 414 HD13 -1.00 -0.00 -0.05 -0.04 0.93 -0.17 3hs5A1 LEU 414 HD23 -0.13 0.02 -0.12 -0.04 0.89 0.62 3hs5A1 LEU 415 H -0.12 0.38 -0.15 -0.55 8.37 7.92 3hs5A1 LEU 415 HA -0.08 0.05 0.40 -0.75 4.35 3.97 3hs5A1 LEU 415 HB2 -0.12 0.01 0.11 -0.04 1.64 1.59 3hs5A1 LEU 415 HB3 -0.09 0.00 -0.08 -0.04 1.64 1.43 3hs5A1 LEU 415 HG -0.44 0.02 -0.01 -0.04 1.64 1.17 3hs5A1 LEU 415 HD13 -0.48 0.00 -0.08 -0.04 0.93 0.33 3hs5A1 LEU 415 HD23 -0.13 -0.01 -0.07 -0.04 0.89 0.64 3hs5A1 GLU 416 H -0.05 0.49 -0.19 -0.55 8.60 8.29 3hs5A1 GLU 416 HA -0.06 0.03 0.44 -0.75 4.29 3.94 3hs5A1 GLU 416 HB2 -0.09 -0.04 0.09 -0.04 2.09 2.02 3hs5A1 GLU 416 HB3 -0.14 0.04 0.20 -0.04 1.99 2.05 3hs5A1 GLU 416 HG2 -0.67 -0.01 -0.21 -0.04 2.34 1.42 3hs5A1 GLU 416 HG3 -0.18 -0.01 -0.07 -0.04 2.34 2.05 3hs5A1 HIS 417 H 0.09 0.48 -0.06 -0.55 8.41 8.38 3hs5A1 HIS 417 HA 0.09 0.06 0.52 -0.75 4.63 4.54 3hs5A1 HIS 417 HB2 0.36 0.09 0.06 -0.04 3.26 3.73 3hs5A1 HIS 417 HB3 0.17 -0.11 -0.01 -0.04 3.20 3.20 3hs5A1 HIS 417 HD2 0.28 0.10 0.02 -0.04 6.97 7.32 3hs5A1 HIS 417 HE1 0.12 -0.06 -0.02 -0.04 7.75 7.75 3hs5A1 GLY 418 H 0.07 0.43 -0.18 -0.55 8.43 8.20 3hs5A1 GLY 418 HA2 0.05 0.11 0.38 -0.51 4.01 4.04 3hs5A1 GLY 418 HA3 0.05 0.08 0.62 -0.51 4.01 4.25 3hs5A1 LEU 419 H -0.04 0.21 0.18 -0.55 8.37 8.17 3hs5A1 LEU 419 HA -0.09 0.06 0.41 -0.75 4.35 3.97 3hs5A1 LEU 419 HB2 -0.12 0.01 0.21 -0.04 1.64 1.70 3hs5A1 LEU 419 HB3 -0.10 0.05 -0.02 -0.04 1.64 1.53 3hs5A1 LEU 419 HG -0.15 -0.04 0.08 -0.04 1.64 1.49 3hs5A1 LEU 419 HD13 -0.15 0.01 0.02 -0.04 0.93 0.77 3hs5A1 LEU 419 HD23 -0.19 0.03 0.03 -0.04 0.89 0.73 3hs5A1 THR 420 H -0.01 0.11 -0.06 -0.55 8.28 7.76 3hs5A1 THR 420 HA -0.01 0.13 0.43 -0.75 4.39 4.19 3hs5A1 THR 420 HB 0.01 -0.04 0.09 -0.04 4.32 4.35 3hs5A1 THR 420 HG23 0.00 0.01 -0.04 -0.04 1.22 1.14 3hs5A1 GLN 421 H 0.06 0.22 -0.21 -0.55 8.47 8.00 3hs5A1 GLN 421 HA 0.02 0.04 0.43 -0.75 4.36 4.09 3hs5A1 GLN 421 HB2 0.14 0.37 0.05 -0.04 2.15 2.67 3hs5A1 GLN 421 HB3 0.08 -0.08 -0.10 -0.04 2.02 1.88 3hs5A1 GLN 421 HG2 0.06 0.01 0.05 -0.04 2.40 2.48 3hs5A1 GLN 421 HG3 0.12 0.02 0.06 -0.04 2.39 2.55 3hs5A1 GLN 421 HE21 0.01 0.01 0.02 -0.04 6.97 6.97 3hs5A1 GLN 421 HE22 0.03 0.04 0.01 -0.04 7.69 7.72 3hs5A1 PHE 422 H 0.23 0.48 -0.26 -0.55 8.34 8.24 3hs5A1 PHE 422 HA -0.46 -0.03 0.43 -0.75 4.62 3.81 3hs5A1 PHE 422 HB2 -0.14 0.08 0.15 -0.04 3.15 3.21 3hs5A1 PHE 422 HB3 -0.22 -0.00 -0.05 -0.04 3.06 2.74 3hs5A1 PHE 422 HD2 -0.08 0.05 -0.09 -0.04 7.28 7.12 3hs5A1 PHE 422 HE2 0.06 -0.01 -0.32 -0.04 7.38 7.07 3hs5A1 PHE 422 HZ -0.04 -0.05 -0.20 -0.04 7.32 6.99 3hs5A1 VAL 423 H 0.03 0.65 -0.12 -0.55 8.24 8.26 3hs5A1 VAL 423 HA 0.06 -0.05 0.38 -0.75 4.13 3.77 3hs5A1 VAL 423 HB -0.01 0.13 0.17 -0.04 2.12 2.37 3hs5A1 VAL 423 HG13 -0.02 0.01 -0.17 -0.04 0.97 0.74 3hs5A1 VAL 423 HG23 -0.05 0.02 0.01 -0.04 0.95 0.89 3hs5A1 GLU 424 H 0.00 0.56 -0.04 -0.55 8.60 8.57 3hs5A1 GLU 424 HA 0.05 0.09 0.38 -0.75 4.29 4.05 3hs5A1 GLU 424 HB2 -0.00 0.02 0.18 -0.04 2.09 2.25 3hs5A1 GLU 424 HB3 0.02 -0.04 0.04 -0.04 1.99 1.97 3hs5A1 GLU 424 HG2 0.04 -0.01 0.06 -0.04 2.34 2.39 3hs5A1 GLU 424 HG3 0.02 0.13 0.09 -0.04 2.34 2.53 3hs5A1 SER 425 H -0.10 0.58 -0.14 -0.55 8.46 8.26 3hs5A1 SER 425 HA -0.02 0.06 0.49 -0.75 4.49 4.26 3hs5A1 SER 425 HB2 -0.39 0.04 0.24 -0.04 3.95 3.80 3hs5A1 SER 425 HB3 -0.15 0.31 0.25 -0.04 3.93 4.29 3hs5A1 PHE 426 H -0.07 0.68 0.06 -0.55 8.34 8.46 3hs5A1 PHE 426 HA 0.06 0.03 0.55 -0.75 4.62 4.50 3hs5A1 PHE 426 HB2 0.08 0.21 0.12 -0.04 3.15 3.52 3hs5A1 PHE 426 HB3 0.19 -0.23 -0.13 -0.04 3.06 2.85 3hs5A1 PHE 426 HD2 0.08 0.03 -0.09 -0.04 7.28 7.26 3hs5A1 PHE 426 HE2 0.01 -0.05 -0.12 -0.04 7.38 7.18 3hs5A1 PHE 426 HZ 0.08 -0.07 -0.11 -0.04 7.32 7.17 3hs5A1 THR 427 H 0.15 0.67 -0.18 -0.55 8.28 8.37 3hs5A1 THR 427 HA 0.14 -0.07 0.51 -0.75 4.39 4.21 3hs5A1 THR 427 HB 0.11 0.15 0.10 -0.04 4.32 4.64 3hs5A1 THR 427 HG23 0.11 -0.01 -0.07 -0.04 1.22 1.22 3hs5A1 ARG 428 H 0.10 0.27 -0.35 -0.55 8.46 7.93 3hs5A1 ARG 428 HA 0.07 0.12 0.54 -0.75 4.34 4.32 3hs5A1 ARG 428 HB2 0.05 0.11 0.19 -0.04 1.90 2.21 3hs5A1 ARG 428 HB3 0.03 -0.09 0.09 -0.04 1.80 1.79 3hs5A1 ARG 428 HG2 0.05 -0.01 0.04 -0.04 1.67 1.71 3hs5A1 ARG 428 HG3 0.06 0.17 0.09 -0.04 1.67 1.95 3hs5A1 ARG 428 HD2 0.02 -0.05 0.03 -0.04 3.22 3.17 3hs5A1 ARG 428 HD3 0.02 -0.05 0.02 -0.04 3.22 3.16 3hs5A1 GLN 429 H 0.12 0.18 -0.18 -0.55 8.47 8.05 3hs5A1 GLN 429 HA 0.04 0.08 0.75 -0.75 4.36 4.48 3hs5A1 GLN 429 HB2 0.08 0.10 0.14 -0.04 2.15 2.43 3hs5A1 GLN 429 HB3 0.13 -0.12 0.21 -0.04 2.02 2.20 3hs5A1 GLN 429 HG2 -0.04 0.21 -0.20 -0.04 2.40 2.34 3hs5A1 GLN 429 HG3 -0.04 -0.03 0.09 -0.04 2.39 2.37 3hs5A1 GLN 429 HE21 -0.29 0.45 0.34 -0.04 6.97 7.42 3hs5A1 GLN 429 HE22 -0.26 0.02 0.12 -0.04 7.69 7.52 3hs5A1 ILE 430 H 0.04 0.10 0.23 -0.55 8.25 8.08 3hs5A1 ILE 430 HA 0.06 0.15 0.52 -0.75 4.18 4.15 3hs5A1 ILE 430 HB 0.06 -0.01 0.14 -0.04 1.89 2.04 3hs5A1 ILE 430 HG12 0.06 -0.09 0.04 -0.04 1.49 1.47 3hs5A1 ILE 430 HG13 0.09 0.32 0.12 -0.04 1.21 1.69 3hs5A1 ILE 430 HG23 0.20 -0.02 0.04 -0.04 0.93 1.11 3hs5A1 ILE 430 HD13 0.01 0.06 0.03 -0.04 0.88 0.94 3hs5A1 ALA 431 H 0.06 0.73 0.36 -0.55 8.40 9.00 3hs5A1 ALA 431 HA 0.13 0.16 0.80 -0.75 4.34 4.68 3hs5A1 ALA 431 HB3 0.07 -0.03 -0.03 -0.04 1.41 1.38 3hs5A1 GLY 432 H 0.16 0.49 0.22 -0.55 8.43 8.75 3hs5A1 GLY 432 HA2 -0.29 0.10 0.63 -0.51 4.01 3.93 3hs5A1 GLY 432 HA3 0.04 0.38 0.33 -0.51 4.01 4.26 3hs5A1 ARG 433 H -0.26 0.53 0.04 -0.55 8.46 8.22 3hs5A1 ARG 433 HA -0.20 -0.11 0.61 -0.75 4.34 3.88 3hs5A1 ARG 433 HB2 -0.19 0.09 -0.16 -0.04 1.90 1.60 3hs5A1 ARG 433 HB3 -0.16 0.07 -0.01 -0.04 1.80 1.66 3hs5A1 ARG 433 HG2 -0.14 0.13 -0.07 -0.04 1.67 1.55 3hs5A1 ARG 433 HG3 -0.20 -0.16 0.12 -0.04 1.67 1.39 3hs5A1 ARG 433 HD2 -0.14 -0.02 -0.01 -0.04 3.22 3.01 3hs5A1 ARG 433 HD3 -0.11 0.09 -0.09 -0.04 3.22 3.07 3hs5A1 VAL 434 H -0.21 0.09 0.25 -0.55 8.24 7.82 3hs5A1 VAL 434 HA -0.01 0.04 0.49 -0.75 4.13 3.90 3hs5A1 VAL 434 HB -0.04 0.03 0.13 -0.04 2.12 2.21 3hs5A1 VAL 434 HG13 -0.02 -0.02 -0.13 -0.04 0.97 0.76 3hs5A1 VAL 434 HG23 -0.14 -0.02 -0.06 -0.04 0.95 0.69 3hs5A1 ALA 435 H -0.05 0.48 0.31 -0.55 8.40 8.59 3hs5A1 ALA 435 HA -0.03 0.12 0.69 -0.75 4.34 4.36 3hs5A1 ALA 435 HB3 -0.01 0.01 0.02 -0.04 1.41 1.38 3hs5A1 GLY 436 H -0.05 0.31 -0.22 -0.55 8.43 7.92 3hs5A1 GLY 436 HA2 -0.05 0.01 0.25 -0.51 4.01 3.71 3hs5A1 GLY 436 HA3 -0.06 0.08 0.41 -0.51 4.01 3.93 3hs5A1 GLY 437 H -0.05 0.43 -0.31 -0.55 8.43 7.96 3hs5A1 GLY 437 HA2 -0.04 0.03 0.41 -0.51 4.01 3.91 3hs5A1 GLY 437 HA3 -0.03 -0.04 0.52 -0.51 4.01 3.95 3hs5A1 ARG 438 H -0.02 0.44 0.19 -0.55 8.46 8.52 3hs5A1 ARG 438 HA -0.00 -0.01 -0.31 -0.75 4.34 3.26 3hs5A1 ARG 438 HB2 -0.02 0.08 -0.26 -0.04 1.90 1.65 3hs5A1 ARG 438 HB3 -0.01 -0.06 0.08 -0.04 1.80 1.77 3hs5A1 ARG 438 HG2 -0.01 -0.01 -0.23 -0.04 1.67 1.38 3hs5A1 ARG 438 HG3 -0.02 -0.02 -0.05 -0.04 1.67 1.54 3hs5A1 ARG 438 HD2 -0.02 -0.06 -0.01 -0.04 3.22 3.09 3hs5A1 ARG 438 HD3 -0.01 -0.04 -0.00 -0.04 3.22 3.13 3hs5A1 ASN 439 H 0.00 0.09 -0.10 -0.55 8.53 7.99 3hs5A1 ASN 439 HA 0.01 0.04 0.74 -0.75 4.76 4.80 3hs5A1 ASN 439 HB2 -0.05 0.19 -0.23 -0.04 2.88 2.75 3hs5A1 ASN 439 HB3 -0.02 0.14 0.05 -0.04 2.79 2.92 3hs5A1 ASN 439 HD21 -0.25 0.02 0.27 -0.04 7.03 7.03 3hs5A1 ASN 439 HD22 -0.10 0.63 0.16 -0.04 7.74 8.39 3hs5A1 VAL 440 H 0.04 0.63 0.12 -0.55 8.24 8.49 3hs5A1 VAL 440 HA 0.12 0.17 0.59 -0.75 4.13 4.25 3hs5A1 VAL 440 HB 0.06 -0.05 -0.17 -0.04 2.12 1.92 3hs5A1 VAL 440 HG13 0.09 -0.02 -0.25 -0.04 0.97 0.75 3hs5A1 VAL 440 HG23 0.11 0.00 -0.04 -0.04 0.95 0.98 3hs5A1 PRO 441 HA 0.03 0.07 0.38 -0.51 4.44 4.41 3hs5A1 PRO 441 HB2 -0.12 -0.22 -0.04 -0.04 2.28 1.86 3hs5A1 PRO 441 HB3 0.03 0.09 0.01 -0.04 2.02 2.11 3hs5A1 PRO 441 HG2 0.20 -0.03 0.06 -0.04 2.03 2.22 3hs5A1 PRO 441 HG3 0.17 0.37 0.04 -0.04 2.03 2.57 3hs5A1 PRO 441 HD2 0.15 -0.09 0.05 -0.04 3.68 3.75 3hs5A1 PRO 441 HD3 0.15 0.43 0.24 -0.04 3.65 4.44 3hs5A1 ILE 442 H -0.03 0.24 0.17 -0.55 8.25 8.08 3hs5A1 ILE 442 HA -0.03 0.09 0.30 -0.75 4.18 3.78 3hs5A1 ILE 442 HB -0.04 -0.01 0.01 -0.04 1.89 1.81 3hs5A1 ILE 442 HG12 -0.01 -0.04 0.16 -0.04 1.49 1.57 3hs5A1 ILE 442 HG13 -0.00 0.03 0.06 -0.04 1.21 1.25 3hs5A1 ILE 442 HG23 -0.02 -0.00 0.04 -0.04 0.93 0.91 3hs5A1 ILE 442 HD13 0.00 0.08 0.05 -0.04 0.88 0.97 3hs5A1 ALA 443 H -0.25 0.13 -0.25 -0.55 8.40 7.48 3hs5A1 ALA 443 HA -0.15 0.06 0.37 -0.75 4.34 3.86 3hs5A1 ALA 443 HB3 -0.80 0.02 0.06 -0.04 1.41 0.65 3hs5A1 VAL 444 H -0.15 0.42 -0.47 -0.55 8.24 7.49 3hs5A1 VAL 444 HA -0.05 0.17 0.90 -0.75 4.13 4.41 3hs5A1 VAL 444 HB -0.08 -0.10 0.16 -0.04 2.12 2.05 3hs5A1 VAL 444 HG13 0.10 0.01 -0.13 -0.04 0.97 0.90 3hs5A1 VAL 444 HG23 0.06 0.02 -0.06 -0.04 0.95 0.93 3hs5A1 GLN 445 H -0.05 0.58 -0.23 -0.55 8.47 8.23 3hs5A1 GLN 445 HA -0.01 0.07 0.32 -0.75 4.36 3.99 3hs5A1 GLN 445 HB2 -0.00 -0.04 0.02 -0.04 2.15 2.08 3hs5A1 GLN 445 HB3 -0.02 0.07 0.12 -0.04 2.02 2.16 3hs5A1 GLN 445 HG2 -0.03 0.21 0.10 -0.04 2.40 2.65 3hs5A1 GLN 445 HG3 -0.02 -0.07 -0.12 -0.04 2.39 2.14 3hs5A1 GLN 445 HE21 -0.01 -0.01 -0.00 -0.04 6.97 6.90 3hs5A1 GLN 445 HE22 -0.01 0.01 0.01 -0.04 7.69 7.66 3hs5A1 ALA 446 H -0.03 0.19 -0.26 -0.55 8.40 7.76 3hs5A1 ALA 446 HA -0.02 0.06 0.41 -0.75 4.34 4.03 3hs5A1 ALA 446 HB3 -0.02 0.03 0.02 -0.04 1.41 1.41 3hs5A1 VAL 447 H -0.06 0.20 -0.25 -0.55 8.24 7.58 3hs5A1 VAL 447 HA -0.06 0.07 0.47 -0.75 4.13 3.85 3hs5A1 VAL 447 HB -0.31 0.13 0.10 -0.04 2.12 2.00 3hs5A1 VAL 447 HG13 -0.11 0.01 -0.06 -0.04 0.97 0.76 3hs5A1 VAL 447 HG23 -0.03 -0.01 0.03 -0.04 0.95 0.90 3hs5A1 ALA 448 H -0.09 0.47 -0.09 -0.55 8.40 8.14 3hs5A1 ALA 448 HA 0.01 0.06 0.46 -0.75 4.34 4.12 3hs5A1 ALA 448 HB3 0.10 0.03 0.03 -0.04 1.41 1.54 3hs5A1 LYS 449 H -0.01 0.60 -0.14 -0.55 8.42 8.31 3hs5A1 LYS 449 HA 0.02 0.02 0.49 -0.75 4.32 4.09 3hs5A1 LYS 449 HB2 0.00 0.08 0.09 -0.04 1.87 1.99 3hs5A1 LYS 449 HB3 -0.02 0.11 0.09 -0.04 1.79 1.93 3hs5A1 LYS 449 HG2 -0.01 -0.04 -0.10 -0.04 1.46 1.27 3hs5A1 LYS 449 HG3 0.00 -0.06 -0.11 -0.04 1.46 1.25 3hs5A1 LYS 449 HD2 -0.00 0.01 -0.04 -0.04 1.69 1.62 3hs5A1 LYS 449 HD3 -0.01 0.06 -0.04 -0.04 1.68 1.65 3hs5A1 LYS 449 HE2 -0.01 -0.19 -0.04 -0.04 2.99 2.71 3hs5A1 LYS 449 HE3 -0.01 0.03 -0.01 -0.04 2.99 2.96 3hs5A1 ALA 450 H -0.06 0.48 -0.27 -0.55 8.40 8.01 3hs5A1 ALA 450 HA -0.06 -0.04 0.43 -0.75 4.34 3.92 3hs5A1 ALA 450 HB3 -0.05 0.05 0.12 -0.04 1.41 1.50 3hs5A1 SER 451 H -0.21 0.41 -0.27 -0.55 8.46 7.84 3hs5A1 SER 451 HA -0.42 0.04 0.45 -0.75 4.49 3.80 3hs5A1 SER 451 HB2 -1.15 0.14 0.12 -0.04 3.95 3.02 3hs5A1 SER 451 HB3 -1.39 -0.03 0.04 -0.04 3.93 2.51 3hs5A1 ILE 452 H -0.15 0.37 -0.19 -0.55 8.25 7.73 3hs5A1 ILE 452 HA -0.02 0.02 0.55 -0.75 4.18 3.97 3hs5A1 ILE 452 HB 0.02 0.11 0.20 -0.04 1.89 2.18 3hs5A1 ILE 452 HG12 0.27 -0.07 0.02 -0.04 1.49 1.66 3hs5A1 ILE 452 HG13 0.26 0.11 0.06 -0.04 1.21 1.61 3hs5A1 ILE 452 HG23 0.06 -0.02 -0.07 -0.04 0.93 0.86 3hs5A1 ILE 452 HD13 0.13 -0.01 0.00 -0.04 0.88 0.96 3hs5A1 ASP 453 H -0.06 0.60 0.05 -0.55 8.40 8.44 3hs5A1 ASP 453 HA -0.04 0.02 0.38 -0.75 4.63 4.24 3hs5A1 ASP 453 HB2 -0.05 0.06 0.13 -0.04 2.71 2.81 3hs5A1 ASP 453 HB3 -0.03 -0.00 0.03 -0.04 2.70 2.66 3hs5A1 GLN 454 H -0.13 0.65 -0.17 -0.55 8.47 8.28 3hs5A1 GLN 454 HA -0.08 0.02 0.58 -0.75 4.36 4.13 3hs5A1 GLN 454 HB2 -0.16 0.17 0.14 -0.04 2.15 2.25 3hs5A1 GLN 454 HB3 -0.12 -0.04 -0.00 -0.04 2.02 1.82 3hs5A1 GLN 454 HG2 -0.02 -0.05 0.05 -0.04 2.40 2.34 3hs5A1 GLN 454 HG3 -0.05 -0.04 0.04 -0.04 2.39 2.31 3hs5A1 GLN 454 HE21 0.08 -0.02 -0.04 -0.04 6.97 6.95 3hs5A1 GLN 454 HE22 0.02 -0.01 -0.01 -0.04 7.69 7.65 3hs5A1 SER 455 H -0.28 0.49 -0.14 -0.55 8.46 7.97 3hs5A1 SER 455 HA -0.96 0.01 0.48 -0.75 4.49 3.27 3hs5A1 SER 455 HB2 -0.19 0.19 0.22 -0.04 3.95 4.12 3hs5A1 SER 455 HB3 -0.32 -0.08 0.02 -0.04 3.93 3.50 3hs5A1 ARG 456 H -0.11 0.40 -0.31 -0.55 8.46 7.88 3hs5A1 ARG 456 HA -0.01 0.06 0.45 -0.75 4.34 4.09 3hs5A1 ARG 456 HB2 -0.03 0.13 0.17 -0.04 1.90 2.14 3hs5A1 ARG 456 HB3 0.00 -0.00 0.03 -0.04 1.80 1.79 3hs5A1 ARG 456 HG2 0.03 0.01 0.01 -0.04 1.67 1.68 3hs5A1 ARG 456 HG3 -0.00 0.08 0.05 -0.04 1.67 1.75 3hs5A1 ARG 456 HD2 -0.00 -0.05 -0.04 -0.04 3.22 3.09 3hs5A1 ARG 456 HD3 0.01 -0.00 -0.00 -0.04 3.22 3.19 3hs5A1 GLU 457 H -0.06 0.44 0.03 -0.55 8.60 8.46 3hs5A1 GLU 457 HA 0.01 0.05 0.50 -0.75 4.29 4.09 3hs5A1 GLU 457 HB2 -0.03 0.03 0.24 -0.04 2.09 2.29 3hs5A1 GLU 457 HB3 0.01 -0.03 0.04 -0.04 1.99 1.97 3hs5A1 GLU 457 HG2 0.01 -0.02 0.07 -0.04 2.34 2.36 3hs5A1 GLU 457 HG3 -0.01 0.09 0.11 -0.04 2.34 2.49 3hs5A1 MET 458 H -0.07 0.51 -0.31 -0.55 8.47 8.05 3hs5A1 MET 458 HA 0.05 0.08 0.51 -0.75 4.52 4.41 3hs5A1 MET 458 HB2 -0.12 0.07 0.07 -0.04 2.15 2.14 3hs5A1 MET 458 HB3 0.17 -0.06 0.10 -0.04 2.03 2.20 3hs5A1 MET 458 HG2 0.02 -0.07 -0.05 -0.04 2.63 2.49 3hs5A1 MET 458 HG3 -0.04 0.08 -0.02 -0.04 2.56 2.54 3hs5A1 MET 458 HE3 -0.24 0.03 -0.20 -0.04 2.10 1.65 3hs5A1 LYS 459 H 0.04 0.29 -0.73 -0.55 8.42 7.47 3hs5A1 LYS 459 HA 0.07 0.00 0.36 -0.75 4.32 4.00 3hs5A1 LYS 459 HB2 0.06 0.03 -0.05 -0.04 1.87 1.86 3hs5A1 LYS 459 HB3 0.05 0.00 0.22 -0.04 1.79 2.01 3hs5A1 LYS 459 HG2 0.05 0.08 -0.13 -0.04 1.46 1.42 3hs5A1 LYS 459 HG3 0.04 0.00 -0.04 -0.04 1.46 1.42 3hs5A1 LYS 459 HD2 0.04 0.11 0.12 -0.04 1.69 1.91 3hs5A1 LYS 459 HD3 0.03 -0.09 0.05 -0.04 1.68 1.62 3hs5A1 LYS 459 HE2 0.02 -0.06 -0.09 -0.04 2.99 2.82 3hs5A1 LYS 459 HE3 0.03 0.04 -0.03 -0.04 2.99 2.99 3hs5A1 TYR 460 H 0.23 0.39 -0.04 -0.55 8.29 8.33 3hs5A1 TYR 460 HA 0.12 0.05 0.46 -0.75 4.56 4.43 3hs5A1 TYR 460 HB2 0.06 -0.04 0.05 -0.04 3.06 3.09 3hs5A1 TYR 460 HB3 0.15 0.12 -0.04 -0.04 2.98 3.17 3hs5A1 TYR 460 HD2 -0.01 0.02 -0.10 -0.04 7.15 7.03 3hs5A1 TYR 460 HE2 -0.10 -0.02 -0.04 -0.04 6.85 6.65 3hs5A1 GLN 461 H 0.13 0.11 0.15 -0.55 8.47 8.31 3hs5A1 GLN 461 HA 0.05 0.18 0.62 -0.75 4.36 4.46 3hs5A1 GLN 461 HB2 -0.30 -0.05 0.06 -0.04 2.15 1.82 3hs5A1 GLN 461 HB3 -0.12 -0.11 0.15 -0.04 2.02 1.90 3hs5A1 GLN 461 HG2 -0.07 0.04 0.03 -0.04 2.40 2.36 3hs5A1 GLN 461 HG3 -0.09 0.17 0.03 -0.04 2.39 2.46 3hs5A1 GLN 461 HE21 -0.20 -0.07 0.01 -0.04 6.97 6.67 3hs5A1 GLN 461 HE22 -0.17 0.57 -0.07 -0.04 7.69 7.98 3hs5A1 SER 462 H 0.03 0.15 0.17 -0.55 8.46 8.26 3hs5A1 SER 462 HA 0.13 0.13 0.33 -0.75 4.49 4.32 3hs5A1 SER 462 HB2 0.04 0.09 0.03 -0.04 3.95 4.06 3hs5A1 SER 462 HB3 0.04 0.10 0.18 -0.04 3.93 4.22 3hs5A1 LEU 463 H 0.08 0.69 0.13 -0.55 8.37 8.72 3hs5A1 LEU 463 HA 0.16 0.04 0.39 -0.75 4.35 4.19 3hs5A1 LEU 463 HB2 0.04 0.05 -0.33 -0.04 1.64 1.36 3hs5A1 LEU 463 HB3 0.02 0.07 -0.05 -0.04 1.64 1.64 3hs5A1 LEU 463 HG 0.10 -0.02 -0.48 -0.04 1.64 1.19 3hs5A1 LEU 463 HD13 0.09 0.00 -0.07 -0.04 0.93 0.91 3hs5A1 LEU 463 HD23 0.15 0.00 -0.09 -0.04 0.89 0.91 3hs5A1 ASN 464 H 0.03 0.22 -0.15 -0.55 8.53 8.09 3hs5A1 ASN 464 HA -0.00 0.03 0.38 -0.75 4.76 4.41 3hs5A1 ASN 464 HB2 -0.02 0.07 0.09 -0.04 2.88 2.99 3hs5A1 ASN 464 HB3 -0.03 0.08 0.01 -0.04 2.79 2.81 3hs5A1 ASN 464 HD21 -0.03 0.25 -0.06 -0.04 7.03 7.14 3hs5A1 ASN 464 HD22 -0.04 -0.04 -0.12 -0.04 7.74 7.50 3hs5A1 GLU 465 H 0.00 0.09 -0.34 -0.55 8.60 7.81 3hs5A1 GLU 465 HA -0.08 0.11 0.55 -0.75 4.29 4.10 3hs5A1 GLU 465 HB2 -0.15 0.07 0.05 -0.04 2.09 2.02 3hs5A1 GLU 465 HB3 -0.21 0.07 0.04 -0.04 1.99 1.85 3hs5A1 GLU 465 HG2 -0.05 -0.10 0.08 -0.04 2.34 2.23 3hs5A1 GLU 465 HG3 -0.08 0.05 0.10 -0.04 2.34 2.37 3hs5A1 TYR 466 H 0.13 0.39 -0.24 -0.55 8.29 8.01 3hs5A1 TYR 466 HA 0.11 0.09 0.51 -0.75 4.56 4.53 3hs5A1 TYR 466 HB2 0.04 0.04 0.11 -0.04 3.06 3.21 3hs5A1 TYR 466 HB3 0.06 -0.02 -0.07 -0.04 2.98 2.91 3hs5A1 TYR 466 HD2 0.14 0.13 -0.15 -0.04 7.15 7.23 3hs5A1 TYR 466 HE2 -0.02 -0.02 -0.04 -0.04 6.85 6.73 3hs5A1 ARG 467 H 0.11 0.57 -0.05 -0.55 8.46 8.54 3hs5A1 ARG 467 HA 0.07 0.02 0.39 -0.75 4.34 4.07 3hs5A1 ARG 467 HB2 -0.03 0.02 0.04 -0.04 1.90 1.88 3hs5A1 ARG 467 HB3 -0.09 0.05 -0.31 -0.04 1.80 1.41 3hs5A1 ARG 467 HG2 -0.04 -0.04 -0.06 -0.04 1.67 1.49 3hs5A1 ARG 467 HG3 0.03 0.12 -0.07 -0.04 1.67 1.70 3hs5A1 ARG 467 HD2 -0.10 -0.07 -0.08 -0.04 3.22 2.93 3hs5A1 ARG 467 HD3 -0.15 -0.16 -0.08 -0.04 3.22 2.78 3hs5A1 LYS 468 H -0.01 0.49 -0.18 -0.55 8.42 8.16 3hs5A1 LYS 468 HA -0.04 0.14 0.43 -0.75 4.32 4.11 3hs5A1 LYS 468 HB2 -0.07 0.09 0.18 -0.04 1.87 2.03 3hs5A1 LYS 468 HB3 -0.08 -0.08 0.05 -0.04 1.79 1.64 3hs5A1 LYS 468 HG2 -0.06 0.03 0.08 -0.04 1.46 1.47 3hs5A1 LYS 468 HG3 -0.06 0.10 0.11 -0.04 1.46 1.57 3hs5A1 LYS 468 HD2 -0.09 -0.04 0.04 -0.04 1.69 1.57 3hs5A1 LYS 468 HD3 -0.07 -0.06 0.03 -0.04 1.68 1.54 3hs5A1 LYS 468 HE2 -0.06 -0.09 -0.08 -0.04 2.99 2.72 3hs5A1 LYS 468 HE3 -0.08 0.05 0.02 -0.04 2.99 2.94 3hs5A1 ARG 469 H -0.02 0.43 -0.22 -0.55 8.46 8.10 3hs5A1 ARG 469 HA -0.15 -0.01 0.44 -0.75 4.34 3.86 3hs5A1 ARG 469 HB2 -0.15 -0.01 0.14 -0.04 1.90 1.83 3hs5A1 ARG 469 HB3 0.07 0.04 0.16 -0.04 1.80 2.02 3hs5A1 ARG 469 HG2 -0.09 -0.11 -0.07 -0.04 1.67 1.36 3hs5A1 ARG 469 HG3 -0.78 0.04 -0.13 -0.04 1.67 0.76 3hs5A1 ARG 469 HD2 -0.26 -0.02 0.18 -0.04 3.22 3.08 3hs5A1 ARG 469 HD3 -0.16 -0.04 0.11 -0.04 3.22 3.09 3hs5A1 PHE 470 H 0.17 0.33 -0.55 -0.55 8.34 7.74 3hs5A1 PHE 470 HA -0.09 0.22 0.88 -0.75 4.62 4.87 3hs5A1 PHE 470 HB2 -0.03 -0.01 0.04 -0.04 3.15 3.10 3hs5A1 PHE 470 HB3 -0.08 0.01 0.11 -0.04 3.06 3.05 3hs5A1 PHE 470 HD2 -0.08 0.18 0.02 -0.04 7.28 7.36 3hs5A1 PHE 470 HE2 -0.19 -0.08 -0.03 -0.04 7.38 7.04 3hs5A1 PHE 470 HZ -0.35 -0.13 -0.01 -0.04 7.32 6.79 3hs5A1 SER 471 H -0.01 0.46 -0.29 -0.55 8.46 8.07 3hs5A1 SER 471 HA 0.01 0.02 0.30 -0.75 4.49 4.07 3hs5A1 SER 471 HB2 0.06 0.14 -0.04 -0.04 3.95 4.07 3hs5A1 SER 471 HB3 0.07 -0.08 0.17 -0.04 3.93 4.04 3hs5A1 LEU 472 H 0.02 0.61 -0.16 -0.55 8.37 8.29 3hs5A1 LEU 472 HA -0.02 0.10 0.86 -0.75 4.35 4.54 3hs5A1 LEU 472 HB2 -0.04 -0.11 -0.13 -0.04 1.64 1.32 3hs5A1 LEU 472 HB3 -0.09 -0.09 -0.03 -0.04 1.64 1.39 3hs5A1 LEU 472 HG 0.06 0.24 -0.25 -0.04 1.64 1.65 3hs5A1 LEU 472 HD13 -0.02 -0.06 -0.10 -0.04 0.93 0.70 3hs5A1 LEU 472 HD23 0.00 0.01 -0.08 -0.04 0.89 0.78 3hs5A1 LYS 473 H -0.08 0.07 0.07 -0.55 8.42 7.93 3hs5A1 LYS 473 HA -0.07 0.14 0.51 -0.75 4.32 4.15 3hs5A1 LYS 473 HB2 -0.05 0.00 0.09 -0.04 1.87 1.87 3hs5A1 LYS 473 HB3 -0.11 -0.08 0.04 -0.04 1.79 1.61 3hs5A1 PRO 474 HA -0.14 -0.02 0.45 -0.51 4.44 4.23 3hs5A1 PRO 474 HB2 -0.05 0.01 -0.11 -0.04 2.28 2.09 3hs5A1 PRO 474 HB3 -0.06 -0.02 0.07 -0.04 2.02 1.97 3hs5A1 PRO 474 HG2 -0.05 0.01 0.05 -0.04 2.03 2.00 3hs5A1 PRO 474 HG3 -0.06 0.11 0.08 -0.04 2.03 2.12 3hs5A1 PRO 474 HD2 -0.06 0.04 0.16 -0.04 3.68 3.78 3hs5A1 PRO 474 HD3 -0.07 0.25 0.24 -0.04 3.65 4.03 3hs5A1 TYR 475 H -0.12 0.06 0.10 -0.55 8.29 7.78 3hs5A1 TYR 475 HA -0.05 0.09 0.59 -0.75 4.56 4.44 3hs5A1 TYR 475 HB2 -0.12 -0.02 0.07 -0.04 3.06 2.95 3hs5A1 TYR 475 HB3 -0.12 -0.04 -0.01 -0.04 2.98 2.77 3hs5A1 TYR 475 HD2 -0.06 -0.06 -0.05 -0.04 7.15 6.94 3hs5A1 TYR 475 HE2 -0.03 0.02 -0.04 -0.04 6.85 6.76 3hs5A1 THR 476 H 0.10 0.11 0.16 -0.55 8.28 8.10 3hs5A1 THR 476 HA -0.02 0.22 0.70 -0.75 4.39 4.53 3hs5A1 THR 476 HB 0.00 -0.01 0.12 -0.04 4.32 4.40 3hs5A1 THR 476 HG23 -0.00 0.06 -0.07 -0.04 1.22 1.17 3hs5A1 SER 477 H -0.02 0.19 0.04 -0.55 8.46 8.13 3hs5A1 SER 477 HA -0.08 0.16 0.46 -0.75 4.49 4.28 3hs5A1 SER 477 HB2 0.04 -0.02 0.17 -0.04 3.95 4.10 3hs5A1 SER 477 HB3 0.01 0.25 -0.13 -0.04 3.93 4.02 3hs5A1 PHE 478 H 0.16 0.25 0.13 -0.55 8.34 8.33 3hs5A1 PHE 478 HA -0.10 0.14 0.56 -0.75 4.62 4.46 3hs5A1 PHE 478 HB2 -0.02 0.05 0.11 -0.04 3.15 3.24 3hs5A1 PHE 478 HB3 -0.05 0.03 0.07 -0.04 3.06 3.07 3hs5A1 PHE 478 HD2 -0.04 0.01 -0.03 -0.04 7.28 7.18 3hs5A1 PHE 478 HE2 -0.08 0.05 -0.29 -0.04 7.38 7.01 3hs5A1 PHE 478 HZ 0.06 0.10 -0.61 -0.04 7.32 6.83 3hs5A1 GLU 479 H 0.09 0.09 -0.06 -0.55 8.60 8.16 3hs5A1 GLU 479 HA 0.01 0.21 0.54 -0.75 4.29 4.29 3hs5A1 GLU 479 HB2 0.03 -0.06 0.04 -0.04 2.09 2.06 3hs5A1 GLU 479 HB3 0.01 0.09 -0.06 -0.04 1.99 1.99 3hs5A1 GLU 479 HG2 0.02 0.19 0.11 -0.04 2.34 2.62 3hs5A1 GLU 479 HG3 0.05 -0.09 0.02 -0.04 2.34 2.28 3hs5A1 GLU 480 H -0.03 -0.01 -0.36 -0.55 8.60 7.65 3hs5A1 GLU 480 HA -0.02 0.15 0.46 -0.75 4.29 4.13 3hs5A1 GLU 480 HB2 0.03 -0.02 0.06 -0.04 2.09 2.11 3hs5A1 GLU 480 HB3 0.02 -0.02 0.10 -0.04 1.99 2.05 3hs5A1 GLU 480 HG2 0.28 0.07 -0.10 -0.04 2.34 2.56 3hs5A1 GLU 480 HG3 0.09 0.06 0.05 -0.04 2.34 2.51 3hs5A1 LEU 481 H -0.29 0.16 -0.29 -0.55 8.37 7.40 3hs5A1 LEU 481 HA -1.37 0.06 0.47 -0.75 4.35 2.76 3hs5A1 LEU 481 HB2 -0.73 -0.05 0.10 -0.04 1.64 0.91 3hs5A1 LEU 481 HB3 -0.28 0.06 0.20 -0.04 1.64 1.58 3hs5A1 LEU 481 HG -0.20 0.10 -0.37 -0.04 1.64 1.12 3hs5A1 LEU 481 HD13 -0.25 0.01 0.01 -0.04 0.93 0.66 3hs5A1 LEU 481 HD23 -0.08 -0.02 -0.04 -0.04 0.89 0.71 3hs5A1 THR 482 H -0.12 0.31 -0.08 -0.55 8.28 7.83 3hs5A1 THR 482 HA -0.09 0.26 0.56 -0.75 4.39 4.36 3hs5A1 THR 482 HB -0.04 0.11 0.03 -0.04 4.32 4.38 3hs5A1 THR 482 HG23 -0.03 0.02 -0.13 -0.04 1.22 1.04 3hs5A1 GLY 483 H -0.07 0.38 -0.12 -0.55 8.43 8.08 3hs5A1 GLY 483 HA2 -0.02 0.02 0.36 -0.51 4.01 3.85 3hs5A1 GLY 483 HA3 -0.03 0.10 0.53 -0.51 4.01 4.10 3hs5A1 GLU 484 H -0.03 0.00 -0.31 -0.55 8.60 7.72 3hs5A1 GLU 484 HA -0.01 0.21 0.71 -0.75 4.29 4.45 3hs5A1 GLU 484 HB2 -0.02 -0.27 0.19 -0.04 2.09 1.96 3hs5A1 GLU 484 HB3 -0.02 0.22 -0.05 -0.04 1.99 2.10 3hs5A1 GLU 484 HG2 -0.03 0.22 -0.03 -0.04 2.34 2.46 3hs5A1 GLU 484 HG3 -0.03 0.07 -0.19 -0.04 2.34 2.16 3hs5A1 LYS 485 H -0.01 0.12 0.17 -0.55 8.42 8.15 3hs5A1 LYS 485 HA -0.00 0.21 0.89 -0.75 4.32 4.67 3hs5A1 LYS 485 HB2 -0.01 0.03 0.12 -0.04 1.87 1.97 3hs5A1 LYS 485 HB3 -0.00 0.03 -0.03 -0.04 1.79 1.75 3hs5A1 LYS 485 HG2 0.00 -0.00 -0.05 -0.04 1.46 1.37 3hs5A1 LYS 485 HG3 -0.00 0.03 -0.15 -0.04 1.46 1.30 3hs5A1 GLU 486 H -0.01 0.11 0.15 -0.55 8.60 8.30 3hs5A1 GLU 486 HA -0.02 0.12 0.36 -0.75 4.29 4.00 3hs5A1 GLU 486 HB2 -0.01 0.02 0.15 -0.04 2.09 2.20 3hs5A1 GLU 486 HB3 -0.02 0.04 0.15 -0.04 1.99 2.13 3hs5A1 GLU 486 HG2 -0.02 0.03 -0.12 -0.04 2.34 2.19 3hs5A1 GLU 486 HG3 -0.01 -0.02 0.04 -0.04 2.34 2.31 3hs5A1 MET 487 H -0.02 0.17 0.01 -0.55 8.47 8.09 3hs5A1 MET 487 HA -0.02 0.15 0.44 -0.75 4.52 4.33 3hs5A1 MET 487 HB2 -0.02 -0.01 0.01 -0.04 2.15 2.09 3hs5A1 MET 487 HB3 -0.01 0.03 -0.01 -0.04 2.03 1.99 3hs5A1 MET 487 HG2 -0.02 0.09 0.08 -0.04 2.63 2.75 3hs5A1 MET 487 HG3 -0.02 -0.08 0.08 -0.04 2.56 2.50 3hs5A1 MET 487 HE3 -0.03 0.04 0.01 -0.04 2.10 2.08 3hs5A1 ALA 488 H -0.01 0.07 -0.57 -0.55 8.40 7.34 3hs5A1 ALA 488 HA 0.03 0.06 0.23 -0.75 4.34 3.90 3hs5A1 ALA 488 HB3 0.04 0.01 -0.17 -0.04 1.41 1.24 3hs5A1 ALA 489 H -0.03 0.47 -0.24 -0.55 8.40 8.05 3hs5A1 ALA 489 HA -0.06 -0.01 0.54 -0.75 4.34 4.06 3hs5A1 ALA 489 HB3 -0.03 0.05 0.12 -0.04 1.41 1.51 3hs5A1 GLU 490 H -0.05 0.43 -0.14 -0.55 8.60 8.30 3hs5A1 GLU 490 HA -0.06 0.04 0.43 -0.75 4.29 3.94 3hs5A1 GLU 490 HB2 -0.04 0.12 0.12 -0.04 2.09 2.25 3hs5A1 GLU 490 HB3 -0.04 -0.04 0.00 -0.04 1.99 1.88 3hs5A1 GLU 490 HG2 -0.03 0.19 0.07 -0.04 2.34 2.53 3hs5A1 GLU 490 HG3 -0.02 0.07 -0.00 -0.04 2.34 2.34 3hs5A1 LEU 491 H -0.12 0.60 -0.16 -0.55 8.37 8.14 3hs5A1 LEU 491 HA -0.04 0.03 0.38 -0.75 4.35 3.97 3hs5A1 LEU 491 HB2 -0.23 0.06 0.07 -0.04 1.64 1.50 3hs5A1 LEU 491 HB3 -0.23 -0.08 -0.05 -0.04 1.64 1.24 3hs5A1 LEU 491 HG -0.01 0.16 -0.02 -0.04 1.64 1.73 3hs5A1 LEU 491 HD13 0.09 -0.01 -0.12 -0.04 0.93 0.84 3hs5A1 LEU 491 HD23 0.13 -0.01 -0.07 -0.04 0.89 0.90 3hs5A1 LYS 492 H -0.44 0.51 -0.21 -0.55 8.42 7.73 3hs5A1 LYS 492 HA -0.91 -0.05 0.39 -0.75 4.32 2.99 3hs5A1 LYS 492 HB2 -0.19 -0.04 0.13 -0.04 1.87 1.73 3hs5A1 LYS 492 HB3 -0.15 0.13 0.18 -0.04 1.79 1.91 3hs5A1 LYS 492 HG2 0.01 -0.02 0.00 -0.04 1.46 1.41 3hs5A1 LYS 492 HG3 -0.03 0.05 -0.17 -0.04 1.46 1.26 3hs5A1 LYS 492 HD2 0.17 0.04 0.01 -0.04 1.69 1.87 3hs5A1 LYS 492 HD3 0.31 -0.16 0.02 -0.04 1.68 1.82 3hs5A1 LYS 492 HE2 0.15 -0.07 0.06 -0.04 2.99 3.09 3hs5A1 LYS 492 HE3 0.08 -0.02 0.03 -0.04 2.99 3.04 3hs5A1 ALA 493 H -0.15 0.52 -0.15 -0.55 8.40 8.08 3hs5A1 ALA 493 HA -0.06 0.03 0.44 -0.75 4.34 4.00 3hs5A1 ALA 493 HB3 -0.06 0.01 0.09 -0.04 1.41 1.41 3hs5A1 LEU 494 H -0.13 0.31 -0.31 -0.55 8.37 7.70 3hs5A1 LEU 494 HA -0.13 0.06 0.56 -0.75 4.35 4.08 3hs5A1 LEU 494 HB2 -0.09 0.01 0.14 -0.04 1.64 1.67 3hs5A1 LEU 494 HB3 -0.35 -0.07 -0.02 -0.04 1.64 1.15 3hs5A1 LEU 494 HG -0.08 0.14 -0.02 -0.04 1.64 1.63 3hs5A1 LEU 494 HD13 -0.03 -0.03 -0.20 -0.04 0.93 0.64 3hs5A1 LEU 494 HD23 -0.10 -0.02 -0.07 -0.04 0.89 0.65 3hs5A1 TYR 495 H -0.01 0.59 -0.00 -0.55 8.29 8.31 3hs5A1 TYR 495 HA 0.03 0.18 0.63 -0.75 4.56 4.64 3hs5A1 TYR 495 HB2 0.07 0.11 -0.03 -0.04 3.06 3.17 3hs5A1 TYR 495 HB3 0.23 -0.04 -0.12 -0.04 2.98 3.01 3hs5A1 TYR 495 HD2 0.02 0.11 -0.01 -0.04 7.15 7.22 3hs5A1 TYR 495 HE2 0.04 0.03 -0.00 -0.04 6.85 6.87 3hs5A1 SER 496 H 0.02 0.49 -0.06 -0.55 8.46 8.36 3hs5A1 SER 496 HA 0.07 0.18 0.42 -0.75 4.49 4.40 3hs5A1 SER 496 HB2 0.08 0.11 0.06 -0.04 3.95 4.16 3hs5A1 SER 496 HB3 0.07 -0.07 0.00 -0.04 3.93 3.89 3hs5A1 ASP 497 H 0.26 0.60 -0.21 -0.55 8.40 8.50 3hs5A1 ASP 497 HA 0.17 0.15 0.91 -0.75 4.63 5.11 3hs5A1 ASP 497 HB2 0.09 0.09 -0.06 -0.04 2.71 2.78 3hs5A1 ASP 497 HB3 0.10 0.03 0.08 -0.04 2.70 2.88 3hs5A1 ILE 498 H -0.08 0.24 0.05 -0.55 8.25 7.91 3hs5A1 ILE 498 HA -0.97 0.05 0.32 -0.75 4.18 2.83 3hs5A1 ILE 498 HB -0.71 -0.11 -0.12 -0.04 1.89 0.91 3hs5A1 ILE 498 HG12 -0.27 -0.07 -0.44 -0.04 1.49 0.67 3hs5A1 ILE 498 HG13 -0.23 0.08 -0.19 -0.04 1.21 0.82 3hs5A1 ILE 498 HG23 -0.13 0.02 -0.22 -0.04 0.93 0.57 3hs5A1 ILE 498 HD13 -0.81 -0.03 -0.13 -0.04 0.88 -0.12 3hs5A1 ASP 499 H -0.04 0.06 -0.38 -0.55 8.40 7.49 3hs5A1 ASP 499 HA -0.04 0.08 0.39 -0.75 4.63 4.30 3hs5A1 ASP 499 HB2 -0.00 -0.04 0.00 -0.04 2.71 2.62 3hs5A1 ASP 499 HB3 -0.01 0.07 0.04 -0.04 2.70 2.76 3hs5A1 VAL 500 H 0.04 0.37 -0.43 -0.55 8.24 7.67 3hs5A1 VAL 500 HA 0.05 0.22 0.89 -0.75 4.13 4.53 3hs5A1 VAL 500 HB 0.13 0.02 0.09 -0.04 2.12 2.31 3hs5A1 VAL 500 HG13 0.06 0.01 -0.40 -0.04 0.97 0.59 3hs5A1 VAL 500 HG23 0.22 -0.01 -0.00 -0.04 0.95 1.11 3hs5A1 MET 501 H -0.06 0.25 -0.17 -0.55 8.47 7.94 3hs5A1 MET 501 HA -0.64 0.02 0.52 -0.75 4.52 3.67 3hs5A1 MET 501 HB2 -0.19 -0.04 0.10 -0.04 2.15 1.99 3hs5A1 MET 501 HB3 -0.15 0.02 0.08 -0.04 2.03 1.95 3hs5A1 MET 501 HG2 -0.10 -0.04 -0.03 -0.04 2.63 2.42 3hs5A1 MET 501 HG3 -0.13 0.13 -0.14 -0.04 2.56 2.38 3hs5A1 MET 501 HE3 -0.06 0.02 -0.13 -0.04 2.10 1.89 3hs5A1 GLU 502 H -0.27 0.09 0.15 -0.55 8.60 8.02 3hs5A1 GLU 502 HA 0.08 0.18 0.57 -0.75 4.29 4.37 3hs5A1 GLU 502 HB2 0.11 -0.07 0.04 -0.04 2.09 2.12 3hs5A1 GLU 502 HB3 0.12 -0.02 0.03 -0.04 1.99 2.08 3hs5A1 GLU 502 HG2 0.16 0.13 -0.06 -0.04 2.34 2.54 3hs5A1 GLU 502 HG3 0.28 0.04 0.04 -0.04 2.34 2.65 3hs5A1 LEU 503 H 0.13 0.28 0.07 -0.55 8.37 8.32 3hs5A1 LEU 503 HA 0.05 0.04 0.34 -0.75 4.35 4.02 3hs5A1 LEU 503 HB2 0.05 0.10 -0.01 -0.04 1.64 1.74 3hs5A1 LEU 503 HB3 0.11 -0.02 0.10 -0.04 1.64 1.79 3hs5A1 LEU 503 HG -0.01 0.01 -0.30 -0.04 1.64 1.29 3hs5A1 LEU 503 HD13 -0.05 0.00 -0.06 -0.04 0.93 0.78 3hs5A1 LEU 503 HD23 -0.47 0.02 -0.05 -0.04 0.89 0.35 3hs5A1 TYR 504 H 0.17 0.12 -0.04 -0.55 8.29 7.98 3hs5A1 TYR 504 HA -0.01 0.11 0.21 -0.75 4.56 4.11 3hs5A1 TYR 504 HB2 -0.08 0.04 0.01 -0.04 3.06 2.98 3hs5A1 TYR 504 HB3 -0.05 -0.02 0.03 -0.04 2.98 2.90 3hs5A1 TYR 504 HD2 -0.02 0.04 -0.08 -0.04 7.15 7.05 3hs5A1 TYR 504 HE2 0.10 0.10 0.01 -0.04 6.85 7.02 3hs5A1 PRO 505 HA -0.35 0.11 0.37 -0.51 4.44 4.05 3hs5A1 PRO 505 HB2 0.01 0.04 -0.12 -0.04 2.28 2.17 3hs5A1 PRO 505 HB3 0.03 0.02 -0.01 -0.04 2.02 2.02 3hs5A1 PRO 505 HG2 0.04 0.05 -0.06 -0.04 2.03 2.02 3hs5A1 PRO 505 HG3 0.16 0.04 -0.02 -0.04 2.03 2.18 3hs5A1 PRO 505 HD2 0.13 -0.07 -0.26 -0.04 3.68 3.44 3hs5A1 PRO 505 HD3 0.28 0.12 0.01 -0.04 3.65 4.02 3hs5A1 ALA 506 H -0.05 0.36 -0.41 -0.55 8.40 7.75 3hs5A1 ALA 506 HA -0.06 -0.02 0.37 -0.75 4.34 3.88 3hs5A1 ALA 506 HB3 -0.02 0.02 0.05 -0.04 1.41 1.41 3hs5A1 LEU 507 H -0.07 0.55 -0.11 -0.55 8.37 8.19 3hs5A1 LEU 507 HA -0.03 -0.09 0.40 -0.75 4.35 3.88 3hs5A1 LEU 507 HB2 -0.06 0.20 0.10 -0.04 1.64 1.84 3hs5A1 LEU 507 HB3 -0.03 -0.01 0.01 -0.04 1.64 1.56 3hs5A1 LEU 507 HG -0.01 0.10 -0.02 -0.04 1.64 1.67 3hs5A1 LEU 507 HD13 0.05 0.00 -0.11 -0.04 0.93 0.83 3hs5A1 LEU 507 HD23 -0.04 -0.03 -0.14 -0.04 0.89 0.64 3hs5A1 LEU 508 H -0.17 0.28 -0.31 -0.55 8.37 7.63 3hs5A1 LEU 508 HA -0.05 0.28 0.71 -0.75 4.35 4.54 3hs5A1 LEU 508 HB2 -0.17 -0.02 0.05 -0.04 1.64 1.46 3hs5A1 LEU 508 HB3 -0.06 0.05 0.15 -0.04 1.64 1.73 3hs5A1 LEU 508 HG -0.48 0.08 0.00 -0.04 1.64 1.20 3hs5A1 LEU 508 HD13 -0.05 -0.02 0.00 -0.04 0.93 0.81 3hs5A1 LEU 508 HD23 0.06 0.02 -0.13 -0.04 0.89 0.80 3hs5A1 VAL 509 H -0.08 0.26 -0.19 -0.55 8.24 7.69 3hs5A1 VAL 509 HA -0.05 0.20 0.92 -0.75 4.13 4.45 3hs5A1 VAL 509 HB -0.04 -0.09 0.02 -0.04 2.12 1.97 3hs5A1 VAL 509 HG13 -0.03 0.02 -0.06 -0.04 0.97 0.85 3hs5A1 VAL 509 HG23 -0.05 0.01 -0.11 -0.04 0.95 0.76 3hs5A1 GLU 510 H -0.05 0.24 -0.11 -0.55 8.60 8.13 3hs5A1 GLU 510 HA -0.10 0.09 0.30 -0.75 4.29 3.83 3hs5A1 GLU 510 HB2 -0.02 0.13 0.14 -0.04 2.09 2.29 3hs5A1 GLU 510 HB3 -0.02 -0.08 0.07 -0.04 1.99 1.92 3hs5A1 GLU 510 HG2 0.01 0.26 -0.02 -0.04 2.34 2.55 3hs5A1 GLU 510 HG3 -0.02 0.10 0.17 -0.04 2.34 2.54 3hs5A1 LYS 511 H -0.08 0.56 0.38 -0.55 8.42 8.73 3hs5A1 LYS 511 HA -0.04 0.17 0.58 -0.75 4.32 4.28 3hs5A1 LYS 511 HB2 -0.05 -0.04 -0.44 -0.04 1.87 1.30 3hs5A1 LYS 511 HB3 -0.02 -0.11 0.06 -0.04 1.79 1.67 3hs5A1 LYS 511 HG2 -0.02 0.24 -0.21 -0.04 1.46 1.44 3hs5A1 LYS 511 HG3 -0.02 0.03 0.03 -0.04 1.46 1.46 3hs5A1 LYS 511 HD2 -0.00 -0.03 0.00 -0.04 1.69 1.62 3hs5A1 LYS 511 HD3 -0.01 -0.08 -0.01 -0.04 1.68 1.53 3hs5A1 LYS 511 HE2 0.02 -0.01 -0.02 -0.04 2.99 2.94 3hs5A1 LYS 511 HE3 0.01 0.04 -0.09 -0.04 2.99 2.91 3hs5A1 PRO 512 HA -0.04 -0.05 0.15 -0.51 4.44 3.99 3hs5A1 PRO 512 HB2 -0.07 0.06 -0.08 -0.04 2.28 2.16 3hs5A1 PRO 512 HB3 -0.09 0.06 -0.25 -0.04 2.02 1.70 3hs5A1 PRO 512 HG2 -0.07 0.05 -0.07 -0.04 2.03 1.89 3hs5A1 PRO 512 HG3 -0.06 -0.02 -0.29 -0.04 2.03 1.61 3hs5A1 PRO 512 HD2 -0.04 0.03 0.17 -0.04 3.68 3.80 3hs5A1 PRO 512 HD3 -0.05 0.20 0.28 -0.04 3.65 4.04 3hs5A1 ARG 513 H -0.07 0.38 0.24 -0.55 8.46 8.45 3hs5A1 ARG 513 HA -0.04 0.04 0.57 -0.75 4.34 4.15 3hs5A1 ARG 513 HB2 -0.17 0.05 0.11 -0.04 1.90 1.86 3hs5A1 ARG 513 HB3 -0.09 0.12 -0.04 -0.04 1.80 1.75 3hs5A1 ARG 513 HG2 -1.05 0.04 -0.01 -0.04 1.67 0.61 3hs5A1 ARG 513 HG3 -0.22 -0.01 0.07 -0.04 1.67 1.47 3hs5A1 ARG 513 HD2 -0.10 -0.04 -0.01 -0.04 3.22 3.03 3hs5A1 ARG 513 HD3 -0.17 0.07 -0.16 -0.04 3.22 2.91 3hs5A1 PRO 514 HA 0.00 0.00 0.33 -0.51 4.44 4.26 3hs5A1 PRO 514 HB2 0.07 0.06 0.09 -0.04 2.28 2.46 3hs5A1 PRO 514 HB3 0.05 -0.01 0.07 -0.04 2.02 2.09 3hs5A1 PRO 514 HG2 0.15 0.02 0.08 -0.04 2.03 2.24 3hs5A1 PRO 514 HG3 0.07 0.03 0.09 -0.04 2.03 2.17 3hs5A1 PRO 514 HD2 0.14 0.12 0.14 -0.04 3.68 4.03 3hs5A1 PRO 514 HD3 0.05 0.08 0.21 -0.04 3.65 3.95 3hs5A1 ASP 515 H -0.03 0.10 0.17 -0.55 8.40 8.09 3hs5A1 ASP 515 HA -0.07 -0.00 0.32 -0.75 4.63 4.13 3hs5A1 ASP 515 HB2 -0.05 0.17 -0.01 -0.04 2.71 2.77 3hs5A1 ASP 515 HB3 -0.06 0.02 0.15 -0.04 2.70 2.76 3hs5A1 ALA 516 H -0.08 0.42 -0.23 -0.55 8.40 7.97 3hs5A1 ALA 516 HA -0.18 0.18 0.82 -0.75 4.34 4.41 3hs5A1 ALA 516 HB3 -0.10 0.02 -0.09 -0.04 1.41 1.20 3hs5A1 ILE 517 H -0.40 0.22 0.18 -0.55 8.25 7.70 3hs5A1 ILE 517 HA -0.34 0.12 0.63 -0.75 4.18 3.83 3hs5A1 ILE 517 HB -0.56 -0.05 0.13 -0.04 1.89 1.37 3hs5A1 ILE 517 HG12 -0.83 -0.07 0.09 -0.04 1.49 0.65 3hs5A1 ILE 517 HG13 -0.41 -0.03 0.23 -0.04 1.21 0.96 3hs5A1 ILE 517 HG23 -1.50 0.03 0.05 -0.04 0.93 -0.53 3hs5A1 ILE 517 HD13 -0.51 0.02 0.03 -0.04 0.88 0.39 3hs5A1 PHE 518 H -0.25 0.15 -0.01 -0.55 8.34 7.68 3hs5A1 PHE 518 HA -0.20 0.15 0.92 -0.75 4.62 4.74 3hs5A1 PHE 518 HB2 -0.19 0.04 -0.00 -0.04 3.15 2.96 3hs5A1 PHE 518 HB3 -0.16 0.01 0.05 -0.04 3.06 2.92 3hs5A1 PHE 518 HD2 -0.30 0.06 -0.08 -0.04 7.28 6.92 3hs5A1 PHE 518 HE2 -0.81 0.02 -0.06 -0.04 7.38 6.48 3hs5A1 PHE 518 HZ -2.51 0.00 -0.05 -0.04 7.32 4.72 3hs5A1 GLY 519 H 0.04 0.15 0.12 -0.55 8.43 8.21 3hs5A1 GLY 519 HA2 -0.02 0.18 0.79 -0.51 4.01 4.45 3hs5A1 GLY 519 HA3 0.00 0.10 0.26 -0.51 4.01 3.86 3hs5A1 GLU 520 H 0.01 0.28 0.12 -0.55 8.60 8.47 3hs5A1 GLU 520 HA -0.03 0.11 0.38 -0.75 4.29 3.99 3hs5A1 GLU 520 HB2 -0.00 0.05 0.12 -0.04 2.09 2.22 3hs5A1 GLU 520 HB3 0.03 -0.02 0.14 -0.04 1.99 2.11 3hs5A1 GLU 520 HG2 -0.02 0.02 -0.29 -0.04 2.34 2.02 3hs5A1 GLU 520 HG3 -0.00 -0.01 -0.01 -0.04 2.34 2.28 3hs5A1 THR 521 H 0.03 0.12 -0.13 -0.55 8.28 7.76 3hs5A1 THR 521 HA -0.04 0.12 0.24 -0.75 4.39 3.96 3hs5A1 THR 521 HB 0.01 0.01 -0.04 -0.04 4.32 4.26 3hs5A1 THR 521 HG23 -0.01 0.02 -0.10 -0.04 1.22 1.08 3hs5A1 MET 522 H -0.06 0.13 -0.36 -0.55 8.47 7.63 3hs5A1 MET 522 HA -0.12 0.06 0.38 -0.75 4.52 4.09 3hs5A1 MET 522 HB2 -0.21 -0.01 0.09 -0.04 2.15 1.98 3hs5A1 MET 522 HB3 -0.26 0.10 0.07 -0.04 2.03 1.90 3hs5A1 MET 522 HG2 -1.84 0.00 -0.05 -0.04 2.63 0.70 3hs5A1 MET 522 HG3 -0.70 -0.01 -0.21 -0.04 2.56 1.61 3hs5A1 MET 522 HE3 -0.12 0.01 -0.04 -0.04 2.10 1.91 3hs5A1 VAL 523 H -0.07 0.33 -0.16 -0.55 8.24 7.79 3hs5A1 VAL 523 HA -0.02 0.04 0.41 -0.75 4.13 3.80 3hs5A1 VAL 523 HB 0.00 0.07 0.11 -0.04 2.12 2.26 3hs5A1 VAL 523 HG13 0.08 0.01 -0.10 -0.04 0.97 0.92 3hs5A1 VAL 523 HG23 0.06 0.02 -0.04 -0.04 0.95 0.95 3hs5A1 GLU 524 H -0.05 0.51 -0.08 -0.55 8.60 8.44 3hs5A1 GLU 524 HA -0.02 0.08 0.31 -0.75 4.29 3.90 3hs5A1 GLU 524 HB2 -0.04 -0.04 0.02 -0.04 2.09 1.99 3hs5A1 GLU 524 HB3 0.00 0.15 0.04 -0.04 1.99 2.14 3hs5A1 GLU 524 HG2 0.00 0.01 0.04 -0.04 2.34 2.36 3hs5A1 GLU 524 HG3 0.01 -0.05 -0.01 -0.04 2.34 2.25 3hs5A1 LEU 525 H -0.19 0.33 -0.24 -0.55 8.37 7.72 3hs5A1 LEU 525 HA -1.09 0.20 0.81 -0.75 4.35 3.52 3hs5A1 LEU 525 HB2 -0.23 0.10 0.11 -0.04 1.64 1.59 3hs5A1 LEU 525 HB3 -0.27 -0.09 -0.09 -0.04 1.64 1.15 3hs5A1 LEU 525 HG -1.50 0.03 -0.04 -0.04 1.64 0.10 3hs5A1 LEU 525 HD13 -0.29 0.06 -0.18 -0.04 0.93 0.48 3hs5A1 LEU 525 HD23 -0.15 -0.04 -0.10 -0.04 0.89 0.55 3hs5A1 GLY 526 H -0.06 0.45 -0.06 -0.55 8.43 8.21 3hs5A1 GLY 526 HA2 0.32 -0.07 0.32 -0.51 4.01 4.07 3hs5A1 GLY 526 HA3 0.14 0.13 0.33 -0.51 4.01 4.10 3hs5A1 ALA 527 H 0.00 0.66 -0.08 -0.55 8.40 8.44 3hs5A1 ALA 527 HA 0.10 -0.08 0.30 -0.75 4.34 3.91 3hs5A1 ALA 527 HB3 0.05 0.02 0.05 -0.04 1.41 1.49 3hs5A1 PRO 528 HA -0.06 0.07 0.53 -0.51 4.44 4.47 3hs5A1 PRO 528 HB2 -0.22 -0.03 -0.06 -0.04 2.28 1.92 3hs5A1 PRO 528 HB3 -0.13 0.29 0.18 -0.04 2.02 2.32 3hs5A1 PRO 528 HG2 -0.31 0.11 0.08 -0.04 2.03 1.86 3hs5A1 PRO 528 HG3 0.01 0.14 0.12 -0.04 2.03 2.27 3hs5A1 PRO 528 HD2 -0.13 -0.05 -0.51 -0.04 3.68 2.95 3hs5A1 PRO 528 HD3 -0.05 0.09 0.02 -0.04 3.65 3.67 3hs5A1 PHE 529 H -0.32 0.43 -0.18 -0.55 8.34 7.72 3hs5A1 PHE 529 HA -0.29 0.06 0.48 -0.75 4.62 4.13 3hs5A1 PHE 529 HB2 -0.95 0.17 0.13 -0.04 3.15 2.45 3hs5A1 PHE 529 HB3 -1.85 -0.11 -0.02 -0.04 3.06 1.03 3hs5A1 PHE 529 HD2 -0.14 0.04 -0.06 -0.04 7.28 7.08 3hs5A1 PHE 529 HE2 -0.03 -0.01 -0.09 -0.04 7.38 7.21 3hs5A1 PHE 529 HZ 0.20 -0.08 -0.03 -0.04 7.32 7.37 3hs5A1 SER 530 H -0.07 0.63 -0.10 -0.55 8.46 8.38 3hs5A1 SER 530 HA 0.15 0.00 0.37 -0.75 4.49 4.25 3hs5A1 SER 530 HB2 0.37 0.00 0.04 -0.04 3.95 4.32 3hs5A1 SER 530 HB3 0.17 0.00 0.11 -0.04 3.93 4.17 3hs5A1 LEU 531 H 0.04 0.71 -0.08 -0.55 8.37 8.49 3hs5A1 LEU 531 HA 0.08 -0.05 0.39 -0.75 4.35 4.02 3hs5A1 LEU 531 HB2 0.05 0.01 0.09 -0.04 1.64 1.75 3hs5A1 LEU 531 HB3 0.03 0.17 0.16 -0.04 1.64 1.97 3hs5A1 LEU 531 HG 0.03 0.07 -0.01 -0.04 1.64 1.68 3hs5A1 LEU 531 HD13 0.17 0.03 -0.17 -0.04 0.93 0.92 3hs5A1 LEU 531 HD23 -0.01 -0.05 -0.02 -0.04 0.89 0.76 3hs5A1 LYS 532 H 0.03 0.53 -0.15 -0.55 8.42 8.27 3hs5A1 LYS 532 HA 0.17 0.05 0.43 -0.75 4.32 4.21 3hs5A1 LYS 532 HB2 -0.00 0.10 0.20 -0.04 1.87 2.12 3hs5A1 LYS 532 HB3 -0.01 -0.03 0.01 -0.04 1.79 1.72 3hs5A1 LYS 532 HG2 0.00 0.08 0.11 -0.04 1.46 1.61 3hs5A1 LYS 532 HG3 -0.04 -0.03 0.04 -0.04 1.46 1.38 3hs5A1 LYS 532 HD2 -0.06 -0.08 0.10 -0.04 1.69 1.60 3hs5A1 LYS 532 HD3 -0.15 0.04 0.07 -0.04 1.68 1.60 3hs5A1 LYS 532 HE2 -0.14 -0.05 0.00 -0.04 2.99 2.77 3hs5A1 LYS 532 HE3 -0.14 0.08 0.18 -0.04 2.99 3.06 3hs5A1 GLY 533 H -0.01 0.46 -0.19 -0.55 8.43 8.13 3hs5A1 GLY 533 HA2 -0.04 0.06 0.37 -0.51 4.01 3.88 3hs5A1 GLY 533 HA3 -0.10 -0.03 0.26 -0.51 4.01 3.63 3hs5A1 LEU 534 H 0.08 0.40 -0.32 -0.55 8.37 7.99 3hs5A1 LEU 534 HA 0.07 0.03 0.58 -0.75 4.35 4.28 3hs5A1 LEU 534 HB2 0.07 0.06 0.14 -0.04 1.64 1.88 3hs5A1 LEU 534 HB3 0.00 -0.06 -0.01 -0.04 1.64 1.54 3hs5A1 LEU 534 HG 0.16 0.08 -0.05 -0.04 1.64 1.79 3hs5A1 LEU 534 HD13 0.13 -0.03 -0.16 -0.04 0.93 0.83 3hs5A1 LEU 534 HD23 0.13 -0.02 -0.06 -0.04 0.89 0.90 3hs5A1 MET 535 H 0.13 0.78 0.18 -0.55 8.47 9.01 3hs5A1 MET 535 HA 0.15 0.02 0.42 -0.75 4.52 4.36 3hs5A1 MET 535 HB2 0.03 0.13 0.03 -0.04 2.15 2.30 3hs5A1 MET 535 HB3 -0.24 -0.02 0.03 -0.04 2.03 1.76 3hs5A1 MET 535 HG2 0.02 0.01 0.06 -0.04 2.63 2.68 3hs5A1 MET 535 HG3 -0.13 -0.00 -0.02 -0.04 2.56 2.37 3hs5A1 MET 535 HE3 -0.10 -0.02 -0.12 -0.04 2.10 1.82 3hs5A1 GLY 536 H 0.23 0.33 -0.31 -0.55 8.43 8.13 3hs5A1 GLY 536 HA2 0.31 0.02 0.43 -0.51 4.01 4.26 3hs5A1 GLY 536 HA3 0.11 0.24 0.26 -0.51 4.01 4.11 3hs5A1 ASN 537 H 0.18 0.21 -0.63 -0.55 8.53 7.75 3hs5A1 ASN 537 HA 0.08 0.08 0.36 -0.75 4.76 4.53 3hs5A1 ASN 537 HB2 0.10 0.18 0.10 -0.04 2.88 3.22 3hs5A1 ASN 537 HB3 0.15 -0.08 0.00 -0.04 2.79 2.83 3hs5A1 ASN 537 HD21 0.07 0.19 0.08 -0.04 7.03 7.33 3hs5A1 ASN 537 HD22 0.06 -0.08 0.08 -0.04 7.74 7.76 3hs5A1 PRO 538 HA -0.12 0.12 0.42 -0.51 4.44 4.36 3hs5A1 PRO 538 HB2 -0.89 -0.01 -0.04 -0.04 2.28 1.30 3hs5A1 PRO 538 HB3 -0.27 0.06 0.12 -0.04 2.02 1.89 3hs5A1 PRO 538 HG2 -0.14 -0.03 0.08 -0.04 2.03 1.91 3hs5A1 PRO 538 HG3 -0.10 0.05 0.07 -0.04 2.03 2.01 3hs5A1 PRO 538 HD2 0.01 0.07 0.20 -0.04 3.68 3.91 3hs5A1 PRO 538 HD3 -0.00 0.24 0.15 -0.04 3.65 3.99 3hs5A1 ILE 539 H 0.02 0.13 -0.31 -0.55 8.25 7.54 3hs5A1 ILE 539 HA 0.23 0.05 0.27 -0.75 4.18 3.97 3hs5A1 ILE 539 HB 0.72 0.02 0.03 -0.04 1.89 2.62 3hs5A1 ILE 539 HG12 0.27 -0.01 -0.08 -0.04 1.49 1.63 3hs5A1 ILE 539 HG13 0.38 0.09 -0.29 -0.04 1.21 1.36 3hs5A1 ILE 539 HG23 0.25 0.00 0.01 -0.04 0.93 1.14 3hs5A1 ILE 539 HD13 0.55 0.01 -0.10 -0.04 0.88 1.30 3hs5A1 CYS 540 H 0.17 0.45 -0.55 -0.55 8.50 8.02 3hs5A1 CYS 540 HA 0.08 0.01 0.53 -0.75 4.58 4.45 3hs5A1 CYS 540 HB2 0.32 0.39 0.02 -0.04 2.97 3.66 3hs5A1 CYS 540 HB3 0.15 -0.11 0.12 -0.04 2.97 3.09 3hs5A1 SER 541 H -0.04 0.44 -0.28 -0.55 8.46 8.03 3hs5A1 SER 541 HA -0.86 0.18 0.52 -0.75 4.49 3.57 3hs5A1 SER 541 HB2 -0.44 -0.05 0.13 -0.04 3.95 3.55 3hs5A1 SER 541 HB3 -0.71 0.09 0.11 -0.04 3.93 3.37 3hs5A1 PRO 542 HA -0.41 0.12 0.36 -0.51 4.44 4.00 3hs5A1 PRO 542 HB2 -0.25 -0.02 0.05 -0.04 2.28 2.01 3hs5A1 PRO 542 HB3 -0.63 0.03 0.09 -0.04 2.02 1.46 3hs5A1 PRO 542 HG2 -0.24 0.05 0.12 -0.04 2.03 1.92 3hs5A1 PRO 542 HG3 -1.07 0.08 0.11 -0.04 2.03 1.11 3hs5A1 PRO 542 HD2 -0.24 0.06 0.22 -0.04 3.68 3.68 3hs5A1 PRO 542 HD3 -0.19 0.25 0.21 -0.04 3.65 3.88 3hs5A1 GLN 543 H -0.03 0.12 -0.20 -0.55 8.47 7.81 3hs5A1 GLN 543 HA -0.05 0.09 0.34 -0.75 4.36 3.98 3hs5A1 GLN 543 HB2 0.04 0.01 0.03 -0.04 2.15 2.19 3hs5A1 GLN 543 HB3 -0.07 0.00 0.03 -0.04 2.02 1.93 3hs5A1 GLN 543 HG2 -0.03 -0.01 -0.01 -0.04 2.40 2.31 3hs5A1 GLN 543 HG3 -0.02 -0.00 0.00 -0.04 2.39 2.33 3hs5A1 GLN 543 HE21 -0.04 -0.02 -0.01 -0.04 6.97 6.85 3hs5A1 GLN 543 HE22 -0.04 -0.01 -0.00 -0.04 7.69 7.60 3hs5A1 TYR 544 H 0.25 0.23 -0.46 -0.55 8.29 7.76 3hs5A1 TYR 544 HA -0.05 0.07 0.83 -0.75 4.56 4.65 3hs5A1 TYR 544 HB2 0.11 0.22 0.07 -0.04 3.06 3.42 3hs5A1 TYR 544 HB3 0.16 -0.04 -0.01 -0.04 2.98 3.05 3hs5A1 TYR 544 HD2 -0.01 -0.05 -0.09 -0.04 7.15 6.95 3hs5A1 TYR 544 HE2 -0.01 -0.02 -0.05 -0.04 6.85 6.73 3hs5A1 TRP 545 H 0.42 0.46 -0.10 -0.55 7.97 8.20 3hs5A1 TRP 545 HA 0.36 0.07 0.41 -0.75 4.62 4.70 3hs5A1 TRP 545 HB2 0.37 0.17 -0.06 -0.04 3.23 3.67 3hs5A1 TRP 545 HB3 0.48 -0.06 0.07 -0.04 3.23 3.67 3hs5A1 TRP 545 HD1 0.36 -0.03 -0.00 -0.04 7.22 7.50 3hs5A1 TRP 545 HE1 0.08 -0.06 -0.02 -0.04 10.20 10.15 3hs5A1 TRP 545 HE3 0.48 0.32 -0.05 -0.04 7.59 8.31 3hs5A1 TRP 545 HZ2 -0.29 0.00 -0.03 -0.04 7.44 7.08 3hs5A1 TRP 545 HZ3 0.30 -0.03 -0.09 -0.04 7.13 7.27 3hs5A1 TRP 545 HH2 -0.06 0.01 -0.09 -0.04 7.19 7.01 3hs5A1 LYS 546 H -0.24 0.59 0.32 -0.55 8.42 8.53 3hs5A1 LYS 546 HA -0.32 0.16 0.74 -0.75 4.32 4.15 3hs5A1 LYS 546 HB2 -0.21 -0.00 -0.13 -0.04 1.87 1.48 3hs5A1 LYS 546 HB3 -0.18 -0.17 -0.04 -0.04 1.79 1.36 3hs5A1 LYS 546 HG2 -0.04 0.01 -0.12 -0.04 1.46 1.27 3hs5A1 LYS 546 HG3 -0.02 0.15 -0.67 -0.04 1.46 0.88 3hs5A1 LYS 546 HD2 -0.12 0.08 -0.11 -0.04 1.69 1.50 3hs5A1 LYS 546 HD3 -0.08 -0.13 -0.07 -0.04 1.68 1.37 3hs5A1 LYS 546 HE2 -0.03 -0.03 -0.07 -0.04 2.99 2.82 3hs5A1 LYS 546 HE3 -0.05 0.13 -0.07 -0.04 2.99 2.97 3hs5A1 PRO 547 HA -0.52 0.13 0.32 -0.51 4.44 3.87 3hs5A1 PRO 547 HB2 -0.07 -0.01 -0.02 -0.04 2.28 2.15 3hs5A1 PRO 547 HB3 0.01 -0.03 -0.17 -0.04 2.02 1.79 3hs5A1 PRO 547 HG2 -0.02 0.05 0.06 -0.04 2.03 2.08 3hs5A1 PRO 547 HG3 0.04 0.09 0.03 -0.04 2.03 2.16 3hs5A1 PRO 547 HD2 -0.17 0.10 0.18 -0.04 3.68 3.76 3hs5A1 PRO 547 HD3 -0.30 0.24 0.18 -0.04 3.65 3.73 3hs5A1 SER 548 H -0.15 0.18 -0.19 -0.55 8.46 7.75 3hs5A1 SER 548 HA -0.01 -0.01 0.30 -0.75 4.49 4.01 3hs5A1 SER 548 HB2 -0.05 0.05 0.00 -0.04 3.95 3.91 3hs5A1 SER 548 HB3 -0.04 -0.01 0.05 -0.04 3.93 3.88 3hs5A1 THR 549 H -0.33 0.25 -0.32 -0.55 8.28 7.33 3hs5A1 THR 549 HA -0.34 0.02 0.46 -0.75 4.39 3.78 3hs5A1 THR 549 HB -1.29 0.13 0.16 -0.04 4.32 3.28 3hs5A1 THR 549 HG23 -0.60 -0.02 0.03 -0.04 1.22 0.58 3hs5A1 PHE 550 H -0.15 0.36 -0.35 -0.55 8.34 7.64 3hs5A1 PHE 550 HA 0.09 0.21 0.72 -0.75 4.62 4.89 3hs5A1 PHE 550 HB2 0.03 -0.03 -0.04 -0.04 3.15 3.07 3hs5A1 PHE 550 HB3 0.12 0.00 -0.04 -0.04 3.06 3.10 3hs5A1 PHE 550 HD2 -0.18 -0.02 -0.16 -0.04 7.28 6.88 3hs5A1 PHE 550 HE2 -0.08 -0.02 -0.09 -0.04 7.38 7.16 3hs5A1 PHE 550 HZ 0.43 0.07 -0.06 -0.04 7.32 7.72 3hs5A1 GLY 551 H 0.15 0.39 -0.26 -0.55 8.43 8.17 3hs5A1 GLY 551 HA2 0.40 0.03 0.29 -0.51 4.01 4.22 3hs5A1 GLY 551 HA3 0.31 0.09 0.47 -0.51 4.01 4.37 3hs5A1 GLY 552 H 0.12 0.50 -0.19 -0.55 8.43 8.31 3hs5A1 GLY 552 HA2 0.05 -0.04 0.05 -0.51 4.01 3.56 3hs5A1 GLY 552 HA3 0.08 0.19 0.78 -0.51 4.01 4.55 3hs5A1 GLU 553 H 0.04 0.19 0.12 -0.55 8.60 8.42 3hs5A1 GLU 553 HA 0.16 0.06 0.27 -0.75 4.29 4.03 3hs5A1 GLU 553 HB2 0.03 0.02 0.11 -0.04 2.09 2.21 3hs5A1 GLU 553 HB3 0.06 0.06 0.01 -0.04 1.99 2.08 3hs5A1 GLU 553 HG2 0.05 -0.05 0.07 -0.04 2.34 2.37 3hs5A1 GLU 553 HG3 0.04 0.05 0.04 -0.04 2.34 2.43 3hs5A1 VAL 554 H 0.03 0.11 -0.20 -0.55 8.24 7.62 3hs5A1 VAL 554 HA 0.02 0.08 0.41 -0.75 4.13 3.89 3hs5A1 VAL 554 HB -0.01 0.05 -0.00 -0.04 2.12 2.11 3hs5A1 VAL 554 HG13 -0.00 0.02 -0.13 -0.04 0.97 0.82 3hs5A1 VAL 554 HG23 -0.03 -0.00 0.01 -0.04 0.95 0.89 3hs5A1 GLY 555 H 0.11 0.16 -0.35 -0.55 8.43 7.79 3hs5A1 GLY 555 HA2 0.11 0.00 0.41 -0.51 4.01 4.03 3hs5A1 GLY 555 HA3 0.19 0.53 0.34 -0.51 4.01 4.57 3hs5A1 PHE 556 H 0.25 0.46 -0.14 -0.55 8.34 8.36 3hs5A1 PHE 556 HA -0.25 0.05 0.42 -0.75 4.62 4.10 3hs5A1 PHE 556 HB2 0.02 0.03 0.05 -0.04 3.15 3.21 3hs5A1 PHE 556 HB3 -0.06 0.05 0.02 -0.04 3.06 3.03 3hs5A1 PHE 556 HD2 -0.38 -0.01 -0.02 -0.04 7.28 6.82 3hs5A1 PHE 556 HE2 -1.30 0.03 -0.09 -0.04 7.38 5.98 3hs5A1 PHE 556 HZ -1.87 0.06 -0.19 -0.04 7.32 5.29 3hs5A1 LYS 557 H 0.07 0.53 -0.23 -0.55 8.42 8.25 3hs5A1 LYS 557 HA -0.11 -0.00 0.36 -0.75 4.32 3.81 3hs5A1 LYS 557 HB2 0.01 0.13 0.14 -0.04 1.87 2.11 3hs5A1 LYS 557 HB3 -0.01 -0.03 -0.07 -0.04 1.79 1.64 3hs5A1 ILE 558 H 0.03 0.40 -0.25 -0.55 8.25 7.88 3hs5A1 ILE 558 HA 0.02 -0.00 0.33 -0.75 4.18 3.77 3hs5A1 ILE 558 HB 0.06 0.20 0.14 -0.04 1.89 2.25 3hs5A1 ILE 558 HG12 0.03 -0.06 0.00 -0.04 1.49 1.42 3hs5A1 ILE 558 HG13 0.03 0.20 0.09 -0.04 1.21 1.49 3hs5A1 ILE 558 HG23 0.07 -0.02 -0.14 -0.04 0.93 0.80 3hs5A1 ILE 558 HD13 0.05 -0.03 -0.02 -0.04 0.88 0.85 3hs5A1 ILE 559 H -0.01 0.35 -0.27 -0.55 8.25 7.77 3hs5A1 ILE 559 HA 0.10 -0.01 0.36 -0.75 4.18 3.88 3hs5A1 ILE 559 HB -0.11 0.18 0.16 -0.04 1.89 2.07 3hs5A1 ILE 559 HG12 0.04 0.04 0.10 -0.04 1.49 1.64 3hs5A1 ILE 559 HG13 -0.08 0.08 0.11 -0.04 1.21 1.28 3hs5A1 ILE 559 HG23 0.38 -0.01 -0.26 -0.04 0.93 1.00 3hs5A1 ILE 559 HD13 -0.69 -0.02 0.01 -0.04 0.88 0.14 3hs5A1 ASN 560 H -0.10 0.41 -0.07 -0.55 8.53 8.22 3hs5A1 ASN 560 HA 0.10 0.09 0.26 -0.75 4.76 4.45 3hs5A1 ASN 560 HB2 -0.23 0.01 0.07 -0.04 2.88 2.69 3hs5A1 ASN 560 HB3 -0.09 -0.03 0.15 -0.04 2.79 2.78 3hs5A1 ASN 560 HD21 0.53 -0.04 -0.05 -0.04 7.03 7.44 3hs5A1 ASN 560 HD22 0.12 0.07 -0.00 -0.04 7.74 7.89 3hs5A1 THR 561 H 0.02 0.28 -0.63 -0.55 8.28 7.41 3hs5A1 THR 561 HA 0.02 0.15 0.84 -0.75 4.39 4.65 3hs5A1 THR 561 HB 0.00 -0.11 0.11 -0.04 4.32 4.28 3hs5A1 THR 561 HG23 -0.02 -0.03 -0.13 -0.04 1.22 1.00 3hs5A1 ALA 562 H 0.07 0.40 -0.06 -0.55 8.40 8.26 3hs5A1 ALA 562 HA 0.03 -0.04 0.48 -0.75 4.34 4.05 3hs5A1 ALA 562 HB3 0.11 0.05 0.15 -0.04 1.41 1.67 3hs5A1 SER 563 H -0.01 0.15 0.25 -0.55 8.46 8.30 3hs5A1 SER 563 HA 0.00 0.21 0.51 -0.75 4.49 4.46 3hs5A1 SER 563 HB2 -0.05 -0.04 0.16 -0.04 3.95 3.98 3hs5A1 SER 563 HB3 -0.01 0.28 -0.12 -0.04 3.93 4.04 3hs5A1 ILE 564 H -0.12 0.23 0.12 -0.55 8.25 7.93 3hs5A1 ILE 564 HA -0.11 0.13 0.51 -0.75 4.18 3.95 3hs5A1 ILE 564 HB -0.39 0.04 0.05 -0.04 1.89 1.55 3hs5A1 ILE 564 HG12 -1.03 -0.00 -0.16 -0.04 1.49 0.26 3hs5A1 ILE 564 HG13 -0.32 0.01 -0.20 -0.04 1.21 0.66 3hs5A1 ILE 564 HG23 -0.59 0.02 -0.04 -0.04 0.93 0.27 3hs5A1 ILE 564 HD13 0.14 0.01 -0.02 -0.04 0.88 0.96 3hs5A1 GLN 565 H -0.17 0.09 -0.14 -0.55 8.47 7.70 3hs5A1 GLN 565 HA -0.21 0.13 0.46 -0.75 4.36 3.98 3hs5A1 GLN 565 HB2 -0.22 0.10 0.10 -0.04 2.15 2.10 3hs5A1 GLN 565 HB3 -0.11 -0.02 0.08 -0.04 2.02 1.93 3hs5A1 GLN 565 HG2 -0.06 0.04 -0.00 -0.04 2.40 2.33 3hs5A1 GLN 565 HG3 -0.08 0.01 -0.24 -0.04 2.39 2.04 3hs5A1 GLN 565 HE21 -0.13 0.40 0.08 -0.04 6.97 7.27 3hs5A1 GLN 565 HE22 -0.12 -0.17 0.11 -0.04 7.69 7.47 3hs5A1 SER 566 H -0.08 0.05 -0.16 -0.55 8.46 7.72 3hs5A1 SER 566 HA -0.06 0.08 0.39 -0.75 4.49 4.14 3hs5A1 SER 566 HB2 -0.04 0.06 0.06 -0.04 3.95 3.98 3hs5A1 SER 566 HB3 -0.04 0.05 0.10 -0.04 3.93 4.00 3hs5A1 LEU 567 H -0.11 0.46 -0.27 -0.55 8.37 7.91 3hs5A1 LEU 567 HA -0.18 0.05 0.37 -0.75 4.35 3.84 3hs5A1 LEU 567 HB2 -0.19 0.04 0.07 -0.04 1.64 1.52 3hs5A1 LEU 567 HB3 -0.17 0.09 0.09 -0.04 1.64 1.61 3hs5A1 LEU 567 HG -0.44 0.01 -0.25 -0.04 1.64 0.92 3hs5A1 LEU 567 HD13 -0.87 -0.00 -0.06 -0.04 0.93 -0.04 3hs5A1 LEU 567 HD23 -0.59 -0.01 -0.09 -0.04 0.89 0.16 3hs5A1 ILE 568 H -0.14 0.38 -0.23 -0.55 8.25 7.71 3hs5A1 ILE 568 HA -0.15 0.01 0.43 -0.75 4.18 3.72 3hs5A1 ILE 568 HB -0.14 0.10 0.13 -0.04 1.89 1.94 3hs5A1 ILE 568 HG12 -0.10 -0.03 -0.05 -0.04 1.49 1.27 3hs5A1 ILE 568 HG13 -0.12 -0.04 -0.03 -0.04 1.21 0.98 3hs5A1 ILE 568 HG23 -0.09 0.01 -0.21 -0.04 0.93 0.60 3hs5A1 ILE 568 HD13 -0.09 0.03 -0.10 -0.04 0.88 0.68 3hs5A1 CYS 569 H -0.10 0.63 -0.05 -0.55 8.50 8.43 3hs5A1 CYS 569 HA -0.06 -0.01 0.34 -0.75 4.58 4.10 3hs5A1 CYS 569 HB2 -0.06 0.08 0.05 -0.04 2.97 3.00 3hs5A1 CYS 569 HB3 -0.06 -0.01 0.08 -0.04 2.97 2.95 3hs5A1 ASN 570 H -0.09 0.59 -0.23 -0.55 8.53 8.25 3hs5A1 ASN 570 HA -0.06 0.03 0.49 -0.75 4.76 4.48 3hs5A1 ASN 570 HB2 -0.08 0.12 0.08 -0.04 2.88 2.96 3hs5A1 ASN 570 HB3 -0.06 -0.06 0.01 -0.04 2.79 2.64 3hs5A1 ASN 570 HD21 -0.03 -0.07 -0.04 -0.04 7.03 6.85 3hs5A1 ASN 570 HD22 -0.05 0.00 -0.10 -0.04 7.74 7.55 3hs5A1 ASN 571 H -0.11 0.31 -0.36 -0.55 8.53 7.82 3hs5A1 ASN 571 HA -0.11 0.16 0.82 -0.75 4.76 4.87 3hs5A1 ASN 571 HB2 -0.17 0.11 0.08 -0.04 2.88 2.86 3hs5A1 ASN 571 HB3 -0.15 -0.08 0.14 -0.04 2.79 2.67 3hs5A1 ASN 571 HD21 -0.13 -0.11 -0.04 -0.04 7.03 6.71 3hs5A1 ASN 571 HD22 -0.21 0.43 0.10 -0.04 7.74 8.02 3hs5A1 VAL 572 H -0.10 0.50 0.03 -0.55 8.24 8.12 3hs5A1 VAL 572 HA -0.11 0.08 1.01 -0.75 4.13 4.35 3hs5A1 VAL 572 HB -0.08 0.13 0.07 -0.04 2.12 2.19 3hs5A1 VAL 572 HG13 -0.06 0.00 -0.18 -0.04 0.97 0.69 3hs5A1 VAL 572 HG23 -0.13 -0.01 -0.11 -0.04 0.95 0.66 3hs5A1 LYS 573 H -0.08 0.07 0.13 -0.55 8.42 7.99 3hs5A1 LYS 573 HA -0.05 0.05 0.37 -0.75 4.32 3.94 3hs5A1 LYS 573 HB2 -0.06 0.03 0.17 -0.04 1.87 1.96 3hs5A1 LYS 573 HB3 -0.04 -0.06 0.12 -0.04 1.79 1.77 3hs5A1 LYS 573 HG2 -0.03 0.01 -0.04 -0.04 1.46 1.37 3hs5A1 LYS 573 HG3 -0.04 0.03 0.07 -0.04 1.46 1.48 3hs5A1 LYS 573 HD2 -0.03 0.04 0.03 -0.04 1.69 1.68 3hs5A1 LYS 573 HD3 -0.02 -0.03 0.00 -0.04 1.68 1.59 3hs5A1 LYS 573 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.91 3hs5A1 LYS 573 HE3 -0.02 0.01 0.01 -0.04 2.99 2.95 3hs5A1 GLY 574 H -0.03 0.13 0.19 -0.55 8.43 8.17 3hs5A1 GLY 574 HA2 -0.01 -0.02 0.33 -0.51 4.01 3.79 3hs5A1 GLY 574 HA3 -0.01 0.07 0.48 -0.51 4.01 4.03 3hs5A1 CYS 575 H -0.04 0.43 -0.19 -0.55 8.50 8.15 3hs5A1 CYS 575 HA -0.04 0.12 0.28 -0.75 4.58 4.19 3hs5A1 CYS 575 HB2 -0.03 0.14 0.11 -0.04 2.97 3.14 3hs5A1 CYS 575 HB3 -0.01 -0.03 -0.10 -0.04 2.97 2.79 3hs5A1 PRO 576 HA 0.04 0.04 0.43 -0.51 4.44 4.44 3hs5A1 PRO 576 HB2 0.02 0.12 -0.07 -0.04 2.28 2.32 3hs5A1 PRO 576 HB3 0.01 -0.02 0.04 -0.04 2.02 2.01 3hs5A1 PRO 576 HG2 -0.04 -0.01 -0.08 -0.04 2.03 1.86 3hs5A1 PRO 576 HG3 -0.02 -0.03 0.03 -0.04 2.03 1.97 3hs5A1 PRO 576 HD2 -0.04 0.11 -0.06 -0.04 3.68 3.65 3hs5A1 PRO 576 HD3 -0.02 0.22 -0.22 -0.04 3.65 3.58 3hs5A1 PHE 577 H 0.17 0.06 0.16 -0.55 8.34 8.18 3hs5A1 PHE 577 HA -0.03 0.04 0.55 -0.75 4.62 4.42 3hs5A1 PHE 577 HB2 -0.02 0.01 0.13 -0.04 3.15 3.23 3hs5A1 PHE 577 HB3 -0.02 -0.03 0.11 -0.04 3.06 3.09 3hs5A1 PHE 577 HD2 -0.02 -0.02 -0.11 -0.04 7.28 7.09 3hs5A1 PHE 577 HE2 -0.02 0.02 -0.08 -0.04 7.38 7.25 3hs5A1 PHE 577 HZ -0.03 -0.03 -0.09 -0.04 7.32 7.14 3hs5A1 THR 578 H -0.84 0.19 0.21 -0.55 8.28 7.30 3hs5A1 THR 578 HA -0.38 0.19 0.41 -0.75 4.39 3.85 3hs5A1 THR 578 HB -0.17 0.13 -0.25 -0.04 4.32 3.99 3hs5A1 THR 578 HG23 -0.26 -0.03 -0.24 -0.04 1.22 0.64 3hs5A1 SER 579 H -0.24 0.37 0.18 -0.55 8.46 8.22 3hs5A1 SER 579 HA -0.38 0.03 0.61 -0.75 4.49 4.00 3hs5A1 SER 579 HB2 -0.28 0.14 -0.30 -0.04 3.95 3.47 3hs5A1 SER 579 HB3 -0.02 0.23 -0.10 -0.04 3.93 3.99 3hs5A1 PHE 580 H -0.18 0.21 0.13 -0.55 8.34 7.95 3hs5A1 PHE 580 HA -0.01 0.05 0.77 -0.75 4.62 4.68 3hs5A1 PHE 580 HB2 -0.26 0.10 0.09 -0.04 3.15 3.04 3hs5A1 PHE 580 HB3 -0.34 0.01 0.15 -0.04 3.06 2.83 3hs5A1 PHE 580 HD2 0.10 0.07 -0.26 -0.04 7.28 7.16 3hs5A1 PHE 580 HE2 -0.02 0.04 -0.19 -0.04 7.38 7.16 3hs5A1 PHE 580 HZ -1.09 0.01 -0.09 -0.04 7.32 6.11 3hs5A1 ASN 581 H -0.04 0.07 -0.16 -0.55 8.53 7.84 3hs5A1 ASN 581 HA -0.09 0.37 0.95 -0.75 4.76 5.25 3hs5A1 ASN 581 HB2 0.04 0.00 0.05 -0.04 2.88 2.93 3hs5A1 ASN 581 HB3 -0.02 0.04 -0.15 -0.04 2.79 2.62 3hs5A1 ASN 581 HD21 0.05 0.03 -0.00 -0.04 7.03 7.07 3hs5A1 ASN 581 HD22 -0.00 -0.12 -0.01 -0.04 7.74 7.57 3hs5A1 VAL 582 H 0.02 0.70 0.20 -0.55 8.24 8.61 3hs5A1 VAL 582 HA 0.07 0.32 0.56 -0.75 4.13 4.33 3hs5A1 VAL 582 HB 0.04 0.04 0.03 -0.04 2.12 2.19 3hs5A1 VAL 582 HG13 0.05 0.03 -0.30 -0.04 0.97 0.71 3hs5A1 VAL 582 HG23 0.02 -0.03 -0.00 -0.04 0.95 0.90 3hs5A1 GLN 583 H 0.03 0.04 -0.20 -0.55 8.47 7.80 3hs5A1 GLN 583 HA 0.02 0.06 0.10 -0.75 4.36 3.79 3hs5A1 GLN 583 HB2 0.06 -0.03 -0.20 -0.04 2.15 1.94 3hs5A1 GLN 583 HB3 0.03 0.20 0.10 -0.04 2.02 2.31