============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 97 rings ring int. center anis. iso. TYR 6 0.840 20.321 18.904 7.565 -99.200 -91.000 TYR 14 0.840 14.241 13.970 5.577 -99.200 -91.000 TYR 18 0.840 2.499 10.498 2.969 -99.200 -91.000 TYR 26 0.840 1.384 5.344 0.842 -99.200 -91.000 PHE 32 1.000 4.966 4.880 2.199 -99.200 -91.000 TYR 35 0.840 12.722 1.092 11.646 -99.200 -91.000 TYR 40 0.840 8.104 3.195 13.649 -99.200 -91.000 HIS 43 0.900 3.842 4.917 9.512 -99.200 -91.000 TRP 45 1.040 10.143 12.030 5.024 -99.200 -91.000 TRP6 45 1.020 11.680 11.076 6.553 -99.200 -91.000 PHE 50 1.000 11.681 18.000 13.298 -99.200 -91.000 PHE 54 1.000 15.071 18.935 17.974 -99.200 -91.000 PHE 56 1.000 17.284 7.482 19.062 -99.200 -91.000 TYR 59 0.840 16.972 17.228 23.810 -99.200 -91.000 PHE 63 1.000 6.463 11.937 21.357 -99.200 -91.000 TRP 70 1.040 -5.968 14.434 19.148 -99.200 -91.000 TRP6 70 1.020 -6.922 13.237 20.934 -99.200 -91.000 PHE 73 1.000 -1.289 19.615 26.810 -99.200 -91.000 PHE 77 1.000 5.993 6.846 29.319 -99.200 -91.000 PHE 92 1.000 4.354 22.703 32.973 -99.200 -91.000 TRP 108 1.040 -0.825 24.130 17.065 -99.200 -91.000 TRP6 108 1.020 1.542 24.144 17.108 -99.200 -91.000 PHE 114 1.000 -1.535 22.576 12.890 -99.200 -91.000 HIS 119 0.900 2.177 20.319 13.714 -99.200 -91.000 HIS 127 0.900 15.909 36.176 17.547 -99.200 -91.000 HIS 140 0.900 4.752 19.316 3.012 -99.200 -91.000 TRP 149 1.040 14.132 30.126 12.499 -99.200 -91.000 TRP6 149 1.020 12.506 31.512 11.465 -99.200 -91.000 TYR 162 0.840 6.087 33.311 30.775 -99.200 -91.000 PHE 168 1.000 -0.902 27.370 10.037 -99.200 -91.000 TRP 176 1.040 4.626 25.610 27.818 -99.200 -91.000 TRP6 176 1.020 3.142 27.283 26.967 -99.200 -91.000 TYR 185 0.840 3.263 27.879 38.496 -99.200 -91.000 PHE 210 1.000 -18.185 -15.676 9.478 -99.200 -91.000 TRP 214 1.040 -15.015 -19.576 8.380 -99.200 -91.000 TRP6 214 1.020 -13.498 -18.279 9.625 -99.200 -91.000 TYR 225 0.840 -6.972 -21.439 13.218 -99.200 -91.000 TYR 238 0.840 -23.232 -16.186 11.073 -99.200 -91.000 HIS 239 0.900 -21.419 -11.899 20.518 -99.200 -91.000 TYR 240 0.840 -19.039 -7.626 15.351 -99.200 -91.000 TYR 241 0.840 -17.854 -10.123 23.079 -99.200 -91.000 HIS 259 0.900 8.515 -3.940 26.878 -99.200 -91.000 TYR 262 0.840 4.841 -6.651 33.752 -99.200 -91.000 HIS 264 0.900 12.483 1.319 34.667 -99.200 -91.000 PHE 279 1.000 10.571 -13.463 39.950 -99.200 -91.000 TRP 286 1.040 19.442 -17.770 40.060 -99.200 -91.000 TRP6 286 1.020 19.368 -17.148 42.346 -99.200 -91.000 TRP 293 1.040 18.073 -6.956 33.216 -99.200 -91.000 TRP6 293 1.020 15.996 -6.391 32.254 -99.200 -91.000 HIS 298 0.900 16.974 -1.487 24.283 -99.200 -91.000 HIS 299 0.900 19.681 -8.091 21.838 -99.200 -91.000 PHE 307 1.000 -3.557 -4.401 29.591 -99.200 -91.000 TYR 317 0.840 -6.841 -9.743 35.400 -99.200 -91.000 TYR 319 0.840 5.057 -7.967 28.910 -99.200 -91.000 HIS 327 0.900 2.041 -13.452 19.019 -99.200 -91.000 TRP 337 1.040 -15.263 -13.238 12.296 -99.200 -91.000 TRP6 337 1.020 -15.717 -10.963 12.752 -99.200 -91.000 TYR 342 0.840 -17.018 -4.854 10.747 -99.200 -91.000 PHE 347 1.000 -9.141 0.208 13.923 -99.200 -91.000 TRP 361 1.040 11.297 -11.943 13.833 -99.200 -91.000 TRP6 361 1.020 12.877 -13.048 15.203 -99.200 -91.000 HIS 363 0.900 14.718 -2.035 11.179 -99.200 -91.000 PHE 369 1.000 18.717 -21.750 7.806 -99.200 -91.000 HIS 371 0.900 18.738 -24.105 12.126 -99.200 -91.000 TYR 382 0.840 -2.463 -22.308 15.215 -99.200 -91.000 HIS 383 0.900 3.148 -18.735 18.196 -99.200 -91.000 PHE 386 1.000 1.275 -14.679 12.808 -99.200 -91.000 HIS 392 0.900 10.369 -17.927 5.017 -99.200 -91.000 PHE 396 1.000 16.307 -12.153 9.924 -99.200 -91.000 TRP 409 1.040 26.124 -31.753 20.157 -99.200 -91.000 TRP6 409 1.020 24.945 -33.483 21.254 -99.200 -91.000 TRP 427 1.040 10.521 -17.160 17.764 -99.200 -91.000 TRP6 427 1.020 8.616 -18.419 17.129 -99.200 -91.000 TRP 430 1.040 10.885 -26.621 22.080 -99.200 -91.000 TRP6 430 1.020 10.040 -28.659 22.982 -99.200 -91.000 TRP 432 1.040 14.115 -19.067 27.639 -99.200 -91.000 TRP6 432 1.020 16.264 -19.997 27.326 -99.200 -91.000 PHE 436 1.000 14.527 -21.581 32.927 -99.200 -91.000 PHE 447 1.000 27.817 -30.764 37.665 -99.200 -91.000 HIS 456 0.900 23.460 -39.391 24.485 -99.200 -91.000 PHE 475 1.000 16.572 -13.319 18.676 -99.200 -91.000 TRP 479 1.040 15.705 -10.182 28.654 -99.200 -91.000 TRP6 479 1.020 13.572 -9.115 28.841 -99.200 -91.000 TRP 493 1.040 1.172 -1.702 45.198 -99.200 -91.000 TRP6 493 1.020 -0.652 -0.699 44.086 -99.200 -91.000 PHE 496 1.000 6.933 1.631 37.913 -99.200 -91.000 HIS 498 0.900 -1.556 3.478 46.448 -99.200 -91.000 HIS 499 0.900 0.814 3.413 36.318 -99.200 -91.000 TYR 501 0.840 -2.440 2.395 32.207 -99.200 -91.000 PHE 507 1.000 6.678 -10.659 47.352 -99.200 -91.000 TYR 518 0.840 -6.735 -10.853 51.341 -99.200 -91.000 TYR 531 0.840 -1.208 -13.081 50.931 -99.200 -91.000 TRP 535 1.040 -10.233 -4.430 38.413 -99.200 -91.000 TRP6 535 1.020 -10.219 -2.304 39.449 -99.200 -91.000 TYR 544 0.840 -17.268 -14.204 34.099 -99.200 -91.000 PHE 550 1.000 -1.203 -10.380 20.020 -99.200 -91.000 TYR 556 0.840 -1.510 -1.554 20.063 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2iobB1 GLY 13 HA2 0.18 -0.09 0.24 -0.51 4.01 3.83 2iobB1 GLY 13 HA3 0.41 -0.03 0.17 -0.51 4.01 4.05 2iobB1 THR 14 H 0.09 0.04 0.30 -0.55 8.28 8.16 2iobB1 THR 14 HA 0.06 0.26 1.02 -0.75 4.39 4.98 2iobB1 THR 14 HB 0.02 -0.05 -0.05 -0.04 4.32 4.20 2iobB1 THR 14 HG23 -0.00 0.04 -0.03 -0.04 1.22 1.19 2iobB1 LEU 15 H -0.03 0.19 0.14 -0.55 8.37 8.13 2iobB1 LEU 15 HA -0.49 0.15 0.63 -0.75 4.35 3.89 2iobB1 LEU 15 HB2 -0.16 0.03 0.08 -0.04 1.64 1.55 2iobB1 LEU 15 HB3 -0.12 -0.00 0.20 -0.04 1.64 1.68 2iobB1 LEU 15 HG -0.34 -0.04 -0.14 -0.04 1.64 1.07 2iobB1 LEU 15 HD13 -0.97 0.05 0.01 -0.04 0.93 -0.03 2iobB1 LEU 15 HD23 -0.09 0.00 -0.02 -0.04 0.89 0.74 2iobB1 LEU 16 H -0.35 0.80 0.44 -0.55 8.37 8.71 2iobB1 LEU 16 HA -0.14 0.06 0.54 -0.75 4.35 4.06 2iobB1 LEU 16 HB2 -0.23 0.01 -0.16 -0.04 1.64 1.22 2iobB1 LEU 16 HB3 -0.15 0.01 -0.11 -0.04 1.64 1.35 2iobB1 LEU 16 HG -0.18 0.10 -0.22 -0.04 1.64 1.30 2iobB1 LEU 16 HD13 -0.15 -0.03 -0.39 -0.04 0.93 0.33 2iobB1 LEU 16 HD23 -0.05 -0.04 -0.59 -0.04 0.89 0.17 2iobB1 GLY 17 H -0.40 0.22 0.10 -0.55 8.43 7.81 2iobB1 GLY 17 HA2 -0.10 0.03 0.26 -0.51 4.01 3.69 2iobB1 GLY 17 HA3 -0.14 0.23 0.72 -0.51 4.01 4.32 2iobB1 TYR 18 H 0.05 0.33 0.12 -0.55 8.29 8.24 2iobB1 TYR 18 HA -0.04 0.20 0.93 -0.75 4.56 4.91 2iobB1 TYR 18 HB2 -0.03 -0.05 -0.08 -0.04 3.06 2.86 2iobB1 TYR 18 HB3 0.00 0.07 -0.23 -0.04 2.98 2.78 2iobB1 TYR 18 HD2 -0.05 -0.03 -0.50 -0.04 7.15 6.53 2iobB1 TYR 18 HE2 -0.06 0.03 -0.10 -0.04 6.85 6.67 2iobB1 ALA 19 H 0.25 0.74 0.21 -0.55 8.40 9.06 2iobB1 ALA 19 HA 0.21 0.28 0.66 -0.75 4.34 4.73 2iobB1 ALA 19 HB3 0.50 -0.02 0.05 -0.04 1.41 1.90 2iobB1 PRO 20 HA 0.12 -0.04 0.42 -0.51 4.44 4.43 2iobB1 PRO 20 HB2 0.24 0.06 0.08 -0.04 2.28 2.62 2iobB1 PRO 20 HB3 0.12 -0.00 0.12 -0.04 2.02 2.22 2iobB1 PRO 20 HG2 0.19 0.13 0.09 -0.04 2.03 2.40 2iobB1 PRO 20 HG3 0.16 -0.00 0.09 -0.04 2.03 2.23 2iobB1 PRO 20 HD2 0.33 0.04 0.20 -0.04 3.68 4.21 2iobB1 PRO 20 HD3 0.23 0.44 0.30 -0.04 3.65 4.58 2iobB1 GLY 21 H 0.02 0.08 0.19 -0.55 8.43 8.18 2iobB1 GLY 21 HA2 -0.07 0.01 0.32 -0.51 4.01 3.76 2iobB1 GLY 21 HA3 -0.16 0.21 0.61 -0.51 4.01 4.15 2iobB1 GLY 22 H 0.03 0.07 -0.04 -0.55 8.43 7.94 2iobB1 GLY 22 HA2 -0.03 -0.04 0.21 -0.51 4.01 3.65 2iobB1 GLY 22 HA3 -0.03 0.08 0.49 -0.51 4.01 4.04 2iobB1 VAL 23 H 0.17 0.40 -0.27 -0.55 8.24 7.99 2iobB1 VAL 23 HA 0.12 0.18 0.78 -0.75 4.13 4.45 2iobB1 VAL 23 HB 0.33 -0.08 -0.01 -0.04 2.12 2.31 2iobB1 VAL 23 HG13 0.10 0.01 -0.20 -0.04 0.97 0.84 2iobB1 VAL 23 HG23 -0.28 0.03 -0.16 -0.04 0.95 0.50 2iobB1 ALA 24 H 0.07 0.19 0.11 -0.55 8.40 8.22 2iobB1 ALA 24 HA -0.73 0.12 0.50 -0.75 4.34 3.48 2iobB1 ALA 24 HB3 -0.57 0.00 0.02 -0.04 1.41 0.83 2iobB1 ILE 25 H -0.57 0.73 0.33 -0.55 8.25 8.19 2iobB1 ILE 25 HA -0.25 0.13 0.81 -0.75 4.18 4.11 2iobB1 ILE 25 HB -0.33 -0.07 -0.08 -0.04 1.89 1.38 2iobB1 ILE 25 HG12 -0.34 0.02 -0.22 -0.04 1.49 0.91 2iobB1 ILE 25 HG13 -0.13 0.05 -0.20 -0.04 1.21 0.89 2iobB1 ILE 25 HG23 -0.41 -0.01 -0.11 -0.04 0.93 0.36 2iobB1 ILE 25 HD13 -0.16 -0.01 -0.34 -0.04 0.88 0.34 2iobB1 TYR 26 H -0.19 0.16 0.08 -0.55 8.29 7.78 2iobB1 TYR 26 HA -0.37 0.34 1.07 -0.75 4.56 4.84 2iobB1 TYR 26 HB2 -1.16 -0.05 -0.04 -0.04 3.06 1.77 2iobB1 TYR 26 HB3 -1.11 0.04 -0.05 -0.04 2.98 1.82 2iobB1 TYR 26 HD2 -0.79 -0.01 -0.30 -0.04 7.15 6.02 2iobB1 TYR 26 HE2 -0.35 0.03 -0.13 -0.04 6.85 6.36 2iobB1 SER 27 H 0.02 0.32 0.37 -0.55 8.46 8.63 2iobB1 SER 27 HA 0.18 0.15 0.90 -0.75 4.49 4.97 2iobB1 SER 27 HB2 0.59 0.00 0.13 -0.04 3.95 4.63 2iobB1 SER 27 HB3 0.13 0.11 0.06 -0.04 3.93 4.19 2iobB1 SER 28 H 0.69 0.19 0.11 -0.55 8.46 8.90 2iobB1 SER 28 HA 0.09 0.24 0.74 -0.75 4.49 4.80 2iobB1 SER 28 HB2 0.28 0.26 0.09 -0.04 3.95 4.54 2iobB1 SER 28 HB3 0.18 -0.01 0.23 -0.04 3.93 4.29 2iobB1 ASP 29 H -0.01 0.32 -0.38 -0.55 8.40 7.78 2iobB1 ASP 29 HA -0.18 0.11 0.66 -0.75 4.63 4.46 2iobB1 ASP 29 HB2 -0.08 -0.04 0.10 -0.04 2.71 2.66 2iobB1 ASP 29 HB3 -0.14 0.02 0.03 -0.04 2.70 2.57 2iobB1 TYR 30 H -0.03 0.38 -0.05 -0.55 8.29 8.05 2iobB1 TYR 30 HA 0.12 0.11 0.17 -0.75 4.56 4.20 2iobB1 TYR 30 HB2 0.06 -0.03 0.05 -0.04 3.06 3.10 2iobB1 TYR 30 HB3 0.18 0.03 0.01 -0.04 2.98 3.16 2iobB1 TYR 30 HD2 0.05 0.00 0.02 -0.04 7.15 7.18 2iobB1 TYR 30 HE2 -0.08 0.02 0.02 -0.04 6.85 6.76 2iobB1 SER 31 H 0.10 -0.05 -0.63 -0.55 8.46 7.33 2iobB1 SER 31 HA 0.08 0.05 0.34 -0.75 4.49 4.21 2iobB1 SER 31 HB2 0.03 0.03 -0.01 -0.04 3.95 3.95 2iobB1 SER 31 HB3 0.03 -0.03 0.05 -0.04 3.93 3.94 2iobB1 SER 32 H 0.05 0.24 -0.09 -0.55 8.46 8.11 2iobB1 SER 32 HA 0.04 0.00 0.32 -0.75 4.49 4.11 2iobB1 SER 32 HB2 0.04 -0.04 0.16 -0.04 3.95 4.07 2iobB1 SER 32 HB3 0.03 -0.07 0.12 -0.04 3.93 3.97 2iobB1 LEU 33 H 0.11 0.45 -0.99 -0.55 8.37 7.39 2iobB1 LEU 33 HA 0.10 0.10 1.01 -0.75 4.35 4.80 2iobB1 LEU 33 HB2 0.25 0.42 0.10 -0.04 1.64 2.37 2iobB1 LEU 33 HB3 0.25 -0.06 -0.01 -0.04 1.64 1.79 2iobB1 LEU 33 HG 0.11 -0.04 -0.01 -0.04 1.64 1.66 2iobB1 LEU 33 HD13 0.12 -0.01 -0.35 -0.04 0.93 0.65 2iobB1 LEU 33 HD23 0.29 -0.02 -0.07 -0.04 0.89 1.04 2iobB1 ASP 34 H 0.10 0.09 0.24 -0.55 8.40 8.28 2iobB1 ASP 34 HA 0.06 0.27 0.85 -0.75 4.63 5.06 2iobB1 ASP 34 HB2 0.04 0.02 0.15 -0.04 2.71 2.89 2iobB1 ASP 34 HB3 0.05 0.11 0.06 -0.04 2.70 2.88 2iobB1 PRO 35 HA 0.11 0.12 0.45 -0.51 4.44 4.60 2iobB1 PRO 35 HB2 0.02 0.02 0.01 -0.04 2.28 2.29 2iobB1 PRO 35 HB3 -0.00 0.07 0.08 -0.04 2.02 2.13 2iobB1 PRO 35 HG2 0.00 0.05 0.06 -0.04 2.03 2.10 2iobB1 PRO 35 HG3 0.00 0.09 0.01 -0.04 2.03 2.09 2iobB1 PRO 35 HD2 0.03 0.09 0.21 -0.04 3.68 3.97 2iobB1 PRO 35 HD3 0.04 0.25 0.23 -0.04 3.65 4.12 2iobB1 GLN 36 H 0.06 0.03 -0.43 -0.55 8.47 7.59 2iobB1 GLN 36 HA 0.05 0.16 0.49 -0.75 4.36 4.30 2iobB1 GLN 36 HB2 0.03 -0.00 0.04 -0.04 2.15 2.18 2iobB1 GLN 36 HB3 0.04 -0.02 0.02 -0.04 2.02 2.02 2iobB1 GLN 36 HG2 0.02 0.00 -0.01 -0.04 2.40 2.36 2iobB1 GLN 36 HG3 0.02 0.03 -0.12 -0.04 2.39 2.28 2iobB1 GLN 36 HE21 0.01 0.01 0.03 -0.04 6.97 6.98 2iobB1 GLN 36 HE22 0.01 0.01 0.03 -0.04 7.69 7.70 2iobB1 GLU 37 H 0.09 0.13 -0.11 -0.55 8.60 8.17 2iobB1 GLU 37 HA 0.03 0.10 0.52 -0.75 4.29 4.19 2iobB1 GLU 37 HB2 0.10 0.04 0.21 -0.04 2.09 2.40 2iobB1 GLU 37 HB3 0.01 0.07 -0.00 -0.04 1.99 2.03 2iobB1 GLU 37 HG2 -0.00 0.02 0.07 -0.04 2.34 2.39 2iobB1 GLU 37 HG3 0.03 -0.08 0.09 -0.04 2.34 2.34 2iobB1 TYR 38 H 0.28 0.27 -0.17 -0.55 8.29 8.13 2iobB1 TYR 38 HA 0.47 0.08 0.17 -0.75 4.56 4.52 2iobB1 TYR 38 HB2 0.11 0.04 0.04 -0.04 3.06 3.22 2iobB1 TYR 38 HB3 0.04 0.04 0.01 -0.04 2.98 3.02 2iobB1 TYR 38 HD2 0.01 0.03 -0.02 -0.04 7.15 7.12 2iobB1 TYR 38 HE2 -0.54 -0.02 -0.04 -0.04 6.85 6.21 2iobB1 GLU 39 H 0.14 0.21 -1.38 -0.55 8.60 7.03 2iobB1 GLU 39 HA 0.11 0.08 0.62 -0.75 4.29 4.35 2iobB1 GLU 39 HB2 0.06 0.21 0.10 -0.04 2.09 2.42 2iobB1 GLU 39 HB3 0.05 -0.09 0.03 -0.04 1.99 1.94 2iobB1 GLU 39 HG2 0.06 0.02 -0.04 -0.04 2.34 2.34 2iobB1 GLU 39 HG3 0.05 0.01 0.12 -0.04 2.34 2.49 2iobB1 ASP 40 H 0.07 0.47 0.08 -0.55 8.40 8.48 2iobB1 ASP 40 HA 0.04 0.13 0.79 -0.75 4.63 4.83 2iobB1 ASP 40 HB2 -0.00 0.04 0.13 -0.04 2.71 2.83 2iobB1 ASP 40 HB3 -0.04 0.09 0.29 -0.04 2.70 3.00 2iobB1 ASP 41 H 0.10 0.29 0.06 -0.55 8.40 8.30 2iobB1 ASP 41 HA 0.34 0.12 0.28 -0.75 4.63 4.63 2iobB1 ASP 41 HB2 0.12 0.02 0.09 -0.04 2.71 2.90 2iobB1 ASP 41 HB3 0.17 -0.00 0.12 -0.04 2.70 2.94 2iobB1 ALA 42 H 0.01 0.10 -0.65 -0.55 8.40 7.32 2iobB1 ALA 42 HA 0.09 0.15 0.59 -0.75 4.34 4.42 2iobB1 ALA 42 HB3 0.01 0.03 0.03 -0.04 1.41 1.44 2iobB1 VAL 43 H -0.19 0.35 -0.00 -0.55 8.24 7.85 2iobB1 VAL 43 HA -0.20 0.13 0.37 -0.75 4.13 3.68 2iobB1 VAL 43 HB -0.46 -0.01 0.09 -0.04 2.12 1.70 2iobB1 VAL 43 HG13 -0.18 -0.02 0.07 -0.04 0.97 0.80 2iobB1 VAL 43 HG23 -1.00 0.15 -0.04 -0.04 0.95 0.01 2iobB1 PHE 44 H -0.12 0.13 -0.72 -0.55 8.34 7.08 2iobB1 PHE 44 HA -0.21 0.20 0.83 -0.75 4.62 4.68 2iobB1 PHE 44 HB2 -0.01 0.10 -0.04 -0.04 3.15 3.16 2iobB1 PHE 44 HB3 -0.03 -0.07 0.12 -0.04 3.06 3.03 2iobB1 PHE 44 HD2 -0.15 0.03 -0.06 -0.04 7.28 7.06 2iobB1 PHE 44 HE2 -0.33 0.00 -0.16 -0.04 7.38 6.84 2iobB1 PHE 44 HZ -0.96 -0.07 -0.16 -0.04 7.32 6.09 2iobB1 ARG 45 H 0.08 0.36 -0.23 -0.55 8.46 8.12 2iobB1 ARG 45 HA 0.11 0.12 0.78 -0.75 4.34 4.61 2iobB1 ARG 45 HB2 0.33 0.11 0.17 -0.04 1.90 2.47 2iobB1 ARG 45 HB3 0.38 -0.00 -0.01 -0.04 1.80 2.12 2iobB1 ARG 45 HG2 0.29 -0.06 -0.05 -0.04 1.67 1.81 2iobB1 ARG 45 HG3 0.22 0.09 0.15 -0.04 1.67 2.09 2iobB1 ARG 45 HD2 0.14 -0.04 -0.04 -0.04 3.22 3.25 2iobB1 ARG 45 HD3 0.26 0.02 0.03 -0.04 3.22 3.49 2iobB1 SER 46 H -0.31 0.73 0.35 -0.55 8.46 8.69 2iobB1 SER 46 HA -0.13 0.14 0.67 -0.75 4.49 4.42 2iobB1 SER 46 HB2 -0.52 -0.02 -0.09 -0.04 3.95 3.28 2iobB1 SER 46 HB3 -0.30 -0.08 -0.05 -0.04 3.93 3.46 2iobB1 TYR 47 H 0.12 0.27 0.17 -0.55 8.29 8.30 2iobB1 TYR 47 HA -0.18 0.14 0.80 -0.75 4.56 4.56 2iobB1 TYR 47 HB2 -0.05 -0.03 -0.05 -0.04 3.06 2.90 2iobB1 TYR 47 HB3 -0.11 0.21 -0.29 -0.04 2.98 2.74 2iobB1 TYR 47 HD2 -0.20 0.06 -0.56 -0.04 7.15 6.41 2iobB1 TYR 47 HE2 -0.14 0.04 -0.14 -0.04 6.85 6.57 2iobB1 ILE 48 H -0.03 0.65 0.03 -0.55 8.25 8.36 2iobB1 ILE 48 HA 0.13 0.09 0.70 -0.75 4.18 4.34 2iobB1 ILE 48 HB 0.01 0.02 0.11 -0.04 1.89 1.99 2iobB1 ILE 48 HG12 0.03 -0.06 -0.23 -0.04 1.49 1.19 2iobB1 ILE 48 HG13 0.23 0.01 -0.04 -0.04 1.21 1.38 2iobB1 ILE 48 HG23 0.30 -0.00 -0.07 -0.04 0.93 1.13 2iobB1 ILE 48 HD13 0.14 0.04 0.04 -0.04 0.88 1.07 2iobB1 ASP 49 H 0.13 0.13 0.01 -0.55 8.40 8.11 2iobB1 ASP 49 HA 0.11 0.05 0.31 -0.75 4.63 4.34 2iobB1 ASP 49 HB2 0.15 0.13 0.04 -0.04 2.71 2.99 2iobB1 ASP 49 HB3 0.11 0.03 0.18 -0.04 2.70 2.99 2iobB1 ASP 50 H 0.11 0.11 0.21 -0.55 8.40 8.27 2iobB1 ASP 50 HA 0.16 0.24 0.84 -0.75 4.63 5.11 2iobB1 ASP 50 HB2 0.10 -0.07 0.10 -0.04 2.71 2.79 2iobB1 ASP 50 HB3 0.14 0.17 0.25 -0.04 2.70 3.22 2iobB1 GLU 51 H 0.02 0.50 -0.12 -0.55 8.60 8.46 2iobB1 GLU 51 HA -0.08 0.15 0.78 -0.75 4.29 4.39 2iobB1 GLU 51 HB2 -0.24 -0.03 0.04 -0.04 2.09 1.82 2iobB1 GLU 51 HB3 -0.65 -0.05 0.07 -0.04 1.99 1.32 2iobB1 GLU 51 HG2 -0.65 -0.05 -0.09 -0.04 2.34 1.51 2iobB1 GLU 51 HG3 -0.47 0.08 -0.21 -0.04 2.34 1.69 2iobB1 TYR 52 H -0.07 0.21 0.12 -0.55 8.29 8.00 2iobB1 TYR 52 HA -1.21 0.08 0.50 -0.75 4.56 3.17 2iobB1 TYR 52 HB2 -0.55 0.07 0.04 -0.04 3.06 2.58 2iobB1 TYR 52 HB3 -0.31 -0.00 0.12 -0.04 2.98 2.75 2iobB1 TYR 52 HD2 -0.70 0.03 -0.14 -0.04 7.15 6.30 2iobB1 TYR 52 HE2 -0.29 -0.02 -0.10 -0.04 6.85 6.40 2iobB1 MET 53 H -0.85 0.62 0.38 -0.55 8.47 8.07 2iobB1 MET 53 HA -0.44 0.10 0.61 -0.75 4.52 4.04 2iobB1 MET 53 HB2 -0.34 0.03 -0.11 -0.04 2.15 1.70 2iobB1 MET 53 HB3 -0.20 -0.05 -0.09 -0.04 2.03 1.65 2iobB1 MET 53 HG2 -0.29 0.10 -0.17 -0.04 2.63 2.23 2iobB1 MET 53 HG3 -0.08 -0.03 -0.25 -0.04 2.56 2.17 2iobB1 MET 53 HE3 -0.75 0.02 -0.40 -0.04 2.10 0.93 2iobB1 GLY 54 H -1.15 0.43 0.24 -0.55 8.43 7.40 2iobB1 GLY 54 HA2 -0.76 0.08 0.21 -0.51 4.01 3.03 2iobB1 GLY 54 HA3 -0.35 0.02 0.59 -0.51 4.01 3.76 2iobB1 HIS 55 H -0.06 0.06 0.14 -0.55 8.41 8.00 2iobB1 HIS 55 HA -0.04 0.43 1.02 -0.75 4.63 5.29 2iobB1 HIS 55 HB2 0.06 -0.14 0.13 -0.04 3.26 3.27 2iobB1 HIS 55 HB3 0.07 0.10 -0.03 -0.04 3.20 3.29 2iobB1 HIS 55 HD2 0.06 -0.03 -0.02 -0.04 6.97 6.93 2iobB1 HIS 55 HE1 0.10 0.05 -0.09 -0.04 7.75 7.77 2iobB1 LYS 56 H -0.19 0.80 0.29 -0.55 8.42 8.76 2iobB1 LYS 56 HA -0.68 -0.04 0.51 -0.75 4.32 3.36 2iobB1 LYS 56 HB2 -0.82 0.01 0.02 -0.04 1.87 1.03 2iobB1 LYS 56 HB3 -3.50 -0.02 -0.02 -0.04 1.79 -1.78 2iobB1 LYS 56 HG2 -1.30 -0.09 -0.15 -0.04 1.46 -0.12 2iobB1 LYS 56 HG3 -0.50 0.22 -0.18 -0.04 1.46 0.95 2iobB1 LYS 56 HD2 -0.55 0.15 0.01 -0.04 1.69 1.26 2iobB1 LYS 56 HD3 -1.17 -0.06 -0.07 -0.04 1.68 0.34 2iobB1 LYS 56 HE2 -0.41 -0.08 -0.33 -0.04 2.99 2.12 2iobB1 LYS 56 HE3 -0.26 0.15 -0.31 -0.04 2.99 2.53 2iobB1 TRP 57 H 0.04 0.07 -0.08 -0.55 7.97 7.45 2iobB1 TRP 57 HA 0.06 0.09 0.41 -0.75 4.62 4.43 2iobB1 TRP 57 HB2 0.02 -0.04 -0.15 -0.04 3.23 3.01 2iobB1 TRP 57 HB3 0.11 0.02 -0.02 -0.04 3.23 3.29 2iobB1 TRP 57 HD1 -0.07 0.14 -0.09 -0.04 7.22 7.16 2iobB1 TRP 57 HE1 -0.26 0.14 -0.08 -0.04 10.20 9.95 2iobB1 TRP 57 HE3 0.06 -0.01 -0.10 -0.04 7.59 7.50 2iobB1 TRP 57 HZ2 -0.55 0.06 -0.07 -0.04 7.44 6.84 2iobB1 TRP 57 HZ3 -0.03 0.02 -0.13 -0.04 7.13 6.95 2iobB1 TRP 57 HH2 -0.26 0.05 -0.06 -0.04 7.19 6.88 2iobB1 GLN 58 H 0.21 0.73 0.17 -0.55 8.47 9.03 2iobB1 GLN 58 HA 0.23 0.12 0.45 -0.75 4.36 4.40 2iobB1 GLN 58 HB2 0.16 -0.07 0.12 -0.04 2.15 2.32 2iobB1 GLN 58 HB3 0.17 -0.15 0.19 -0.04 2.02 2.19 2iobB1 GLN 58 HG2 0.24 0.09 -0.12 -0.04 2.40 2.56 2iobB1 GLN 58 HG3 0.21 0.02 0.05 -0.04 2.39 2.62 2iobB1 GLN 58 HE21 0.15 0.03 0.07 -0.04 6.97 7.18 2iobB1 GLN 58 HE22 0.15 -0.03 0.10 -0.04 7.69 7.86 2iobB1 CYS 59 H 0.18 0.18 0.20 -0.55 8.50 8.51 2iobB1 CYS 59 HA 0.19 0.04 0.61 -0.75 4.58 4.67 2iobB1 CYS 59 HB2 -0.10 0.12 0.25 -0.04 2.97 3.20 2iobB1 CYS 59 HB3 0.25 0.26 0.26 -0.04 2.97 3.69 2iobB1 VAL 60 H 0.13 0.10 0.05 -0.55 8.24 7.97 2iobB1 VAL 60 HA 0.20 0.09 0.41 -0.75 4.13 4.07 2iobB1 VAL 60 HB 0.10 -0.03 0.08 -0.04 2.12 2.23 2iobB1 VAL 60 HG13 0.12 0.07 -0.10 -0.04 0.97 1.02 2iobB1 VAL 60 HG23 0.11 0.01 -0.03 -0.04 0.95 1.00 2iobB1 GLU 61 H 0.13 -0.02 -0.49 -0.55 8.60 7.67 2iobB1 GLU 61 HA -0.04 0.25 0.21 -0.75 4.29 3.96 2iobB1 GLU 61 HB2 0.04 -0.12 -0.02 -0.04 2.09 1.95 2iobB1 GLU 61 HB3 0.22 0.13 -0.08 -0.04 1.99 2.22 2iobB1 GLU 61 HG2 -0.11 -0.02 -0.43 -0.04 2.34 1.74 2iobB1 GLU 61 HG3 -0.03 0.02 -0.55 -0.04 2.34 1.74 2iobB1 PHE 62 H 0.32 0.35 -0.22 -0.55 8.34 8.24 2iobB1 PHE 62 HA 0.17 0.09 0.36 -0.75 4.62 4.49 2iobB1 PHE 62 HB2 0.14 0.02 0.07 -0.04 3.15 3.33 2iobB1 PHE 62 HB3 0.10 0.03 0.16 -0.04 3.06 3.30 2iobB1 PHE 62 HD2 0.05 0.06 -0.10 -0.04 7.28 7.25 2iobB1 PHE 62 HE2 -0.05 0.09 -0.31 -0.04 7.38 7.07 2iobB1 PHE 62 HZ 0.10 0.01 -0.12 -0.04 7.32 7.27 2iobB1 ALA 63 H 0.20 0.42 -0.23 -0.55 8.40 8.24 2iobB1 ALA 63 HA 0.03 0.02 0.29 -0.75 4.34 3.93 2iobB1 ALA 63 HB3 0.29 0.02 -0.00 -0.04 1.41 1.68 2iobB1 ARG 64 H 0.01 0.50 -0.06 -0.55 8.46 8.36 2iobB1 ARG 64 HA -0.12 0.01 0.45 -0.75 4.34 3.92 2iobB1 ARG 64 HB2 -0.22 0.11 0.17 -0.04 1.90 1.93 2iobB1 ARG 64 HB3 -0.31 0.00 0.12 -0.04 1.80 1.57 2iobB1 ARG 64 HG2 -1.46 -0.14 0.06 -0.04 1.67 0.09 2iobB1 ARG 64 HG3 -0.36 0.19 0.12 -0.04 1.67 1.58 2iobB1 ARG 64 HD2 -0.43 -0.12 -0.06 -0.04 3.22 2.57 2iobB1 ARG 64 HD3 -0.31 0.25 0.05 -0.04 3.22 3.17 2iobB1 ARG 65 H -0.04 0.49 -0.21 -0.55 8.46 8.14 2iobB1 ARG 65 HA 0.04 0.03 0.34 -0.75 4.34 4.00 2iobB1 ARG 65 HB2 0.02 0.01 0.03 -0.04 1.90 1.93 2iobB1 ARG 65 HB3 -0.01 0.06 0.06 -0.04 1.80 1.88 2iobB1 ARG 65 HG2 0.06 -0.01 -0.18 -0.04 1.67 1.49 2iobB1 ARG 65 HG3 0.10 -0.03 -0.01 -0.04 1.67 1.69 2iobB1 ARG 65 HD2 0.19 0.01 -0.11 -0.04 3.22 3.27 2iobB1 ARG 65 HD3 0.23 -0.01 -0.13 -0.04 3.22 3.27 2iobB1 PHE 66 H -0.10 0.61 -0.24 -0.55 8.34 8.06 2iobB1 PHE 66 HA -0.23 0.02 0.50 -0.75 4.62 4.17 2iobB1 PHE 66 HB2 -0.93 0.02 0.06 -0.04 3.15 2.25 2iobB1 PHE 66 HB3 -0.26 0.08 0.11 -0.04 3.06 2.94 2iobB1 PHE 66 HD2 -0.07 0.01 -0.18 -0.04 7.28 7.00 2iobB1 PHE 66 HE2 0.11 -0.01 -0.07 -0.04 7.38 7.36 2iobB1 PHE 66 HZ 0.06 -0.02 -0.02 -0.04 7.32 7.30 2iobB1 LEU 67 H 0.18 0.55 -0.10 -0.55 8.37 8.44 2iobB1 LEU 67 HA 0.18 -0.02 0.36 -0.75 4.35 4.12 2iobB1 LEU 67 HB2 0.20 0.15 0.16 -0.04 1.64 2.12 2iobB1 LEU 67 HB3 0.31 -0.10 -0.04 -0.04 1.64 1.78 2iobB1 LEU 67 HG 0.32 0.29 0.09 -0.04 1.64 2.30 2iobB1 LEU 67 HD13 0.39 -0.05 -0.14 -0.04 0.93 1.10 2iobB1 LEU 67 HD23 0.48 -0.02 -0.03 -0.04 0.89 1.28 2iobB1 PHE 68 H 0.14 0.50 -0.21 -0.55 8.34 8.21 2iobB1 PHE 68 HA -0.01 -0.02 0.34 -0.75 4.62 4.17 2iobB1 PHE 68 HB2 -0.05 0.08 0.02 -0.04 3.15 3.16 2iobB1 PHE 68 HB3 -0.07 -0.02 0.13 -0.04 3.06 3.06 2iobB1 PHE 68 HD2 -0.02 0.00 -0.19 -0.04 7.28 7.03 2iobB1 PHE 68 HE2 -0.00 -0.04 -0.08 -0.04 7.38 7.22 2iobB1 PHE 68 HZ -0.00 -0.02 -0.05 -0.04 7.32 7.21 2iobB1 LEU 69 H -0.05 0.59 -0.02 -0.55 8.37 8.35 2iobB1 LEU 69 HA -0.32 0.03 0.49 -0.75 4.35 3.79 2iobB1 LEU 69 HB2 -0.21 0.07 0.13 -0.04 1.64 1.60 2iobB1 LEU 69 HB3 -0.16 0.00 0.01 -0.04 1.64 1.45 2iobB1 LEU 69 HG 0.11 0.03 0.09 -0.04 1.64 1.84 2iobB1 LEU 69 HD13 0.03 -0.01 -0.01 -0.04 0.93 0.90 2iobB1 LEU 69 HD23 0.01 -0.02 0.01 -0.04 0.89 0.86 2iobB1 ASN 70 H -0.51 0.49 -0.17 -0.55 8.53 7.79 2iobB1 ASN 70 HA -0.39 0.12 0.65 -0.75 4.76 4.39 2iobB1 ASN 70 HB2 -1.28 0.13 0.11 -0.04 2.88 1.80 2iobB1 ASN 70 HB3 -1.01 -0.08 0.01 -0.04 2.79 1.66 2iobB1 ASN 70 HD21 -1.01 0.24 0.06 -0.04 7.03 6.29 2iobB1 ASN 70 HD22 -2.66 -0.05 -0.01 -0.04 7.74 4.98 2iobB1 TYR 71 H -0.33 0.37 -0.03 -0.55 8.29 7.75 2iobB1 TYR 71 HA -0.06 0.16 0.92 -0.75 4.56 4.83 2iobB1 TYR 71 HB2 0.02 0.03 0.01 -0.04 3.06 3.08 2iobB1 TYR 71 HB3 0.02 -0.06 0.09 -0.04 2.98 2.98 2iobB1 TYR 71 HD2 0.04 0.04 -0.04 -0.04 7.15 7.15 2iobB1 TYR 71 HE2 0.14 -0.01 -0.05 -0.04 6.85 6.89 2iobB1 GLY 72 H -0.18 0.37 0.10 -0.55 8.43 8.17 2iobB1 GLY 72 HA2 -0.40 0.16 0.44 -0.51 4.01 3.71 2iobB1 GLY 72 HA3 -0.09 -0.04 0.46 -0.51 4.01 3.83 2iobB1 VAL 73 H 0.16 0.32 -0.20 -0.55 8.24 7.97 2iobB1 VAL 73 HA 0.19 0.17 1.13 -0.75 4.13 4.87 2iobB1 VAL 73 HB 0.18 0.02 -0.10 -0.04 2.12 2.17 2iobB1 VAL 73 HG13 0.14 0.01 -0.24 -0.04 0.97 0.84 2iobB1 VAL 73 HG23 0.23 -0.01 -0.22 -0.04 0.95 0.91 2iobB1 VAL 74 H 0.16 0.58 0.32 -0.55 8.24 8.75 2iobB1 VAL 74 HA 0.03 0.15 0.62 -0.75 4.13 4.17 2iobB1 VAL 74 HB -0.22 -0.02 0.18 -0.04 2.12 2.02 2iobB1 VAL 74 HG13 -0.00 0.03 -0.24 -0.04 0.97 0.72 2iobB1 VAL 74 HG23 0.01 -0.00 -0.19 -0.04 0.95 0.73 2iobB1 PHE 75 H -0.60 0.29 0.19 -0.55 8.34 7.66 2iobB1 PHE 75 HA -0.12 0.13 0.76 -0.75 4.62 4.63 2iobB1 PHE 75 HB2 -0.16 0.03 0.14 -0.04 3.15 3.12 2iobB1 PHE 75 HB3 -0.06 0.06 -0.03 -0.04 3.06 2.99 2iobB1 PHE 75 HD2 -0.01 0.12 -0.20 -0.04 7.28 7.14 2iobB1 PHE 75 HE2 0.01 -0.04 -0.14 -0.04 7.38 7.18 2iobB1 PHE 75 HZ 0.02 -0.06 -0.00 -0.04 7.32 7.24 2iobB1 THR 76 H -0.11 0.15 0.09 -0.55 8.28 7.87 2iobB1 THR 76 HA 0.03 0.05 0.37 -0.75 4.39 4.09 2iobB1 THR 76 HB 0.00 -0.03 0.07 -0.04 4.32 4.32 2iobB1 THR 76 HG23 0.05 -0.01 -0.25 -0.04 1.22 0.97 2iobB1 ASP 77 H 0.00 0.14 0.11 -0.55 8.40 8.10 2iobB1 ASP 77 HA -0.03 0.12 0.42 -0.75 4.63 4.39 2iobB1 ASP 77 HB2 -0.01 0.09 0.11 -0.04 2.71 2.86 2iobB1 ASP 77 HB3 0.03 -0.05 0.18 -0.04 2.70 2.82 2iobB1 VAL 78 H 0.09 0.45 0.15 -0.55 8.24 8.37 2iobB1 VAL 78 HA -0.05 0.03 0.38 -0.75 4.13 3.74 2iobB1 VAL 78 HB -0.16 -0.13 -0.01 -0.04 2.12 1.78 2iobB1 VAL 78 HG13 -0.04 0.05 -0.14 -0.04 0.97 0.80 2iobB1 VAL 78 HG23 -0.02 0.01 -0.17 -0.04 0.95 0.73 2iobB1 GLY 79 H -0.09 0.09 0.12 -0.55 8.43 8.00 2iobB1 GLY 79 HA2 0.00 0.11 0.33 -0.51 4.01 3.94 2iobB1 GLY 79 HA3 -0.04 -0.02 0.32 -0.51 4.01 3.76 2iobB1 MET 80 H -0.24 0.07 -0.11 -0.55 8.47 7.64 2iobB1 MET 80 HA -0.03 0.25 1.09 -0.75 4.52 5.07 2iobB1 MET 80 HB2 -0.53 -0.08 0.07 -0.04 2.15 1.57 2iobB1 MET 80 HB3 -0.09 0.14 0.10 -0.04 2.03 2.14 2iobB1 MET 80 HG2 0.11 0.02 0.01 -0.04 2.63 2.73 2iobB1 MET 80 HG3 0.01 -0.05 -0.40 -0.04 2.56 2.07 2iobB1 MET 80 HE3 0.05 -0.02 -0.04 -0.04 2.10 2.04 2iobB1 ALA 81 H 0.02 0.20 0.12 -0.55 8.40 8.20 2iobB1 ALA 81 HA -0.01 0.05 0.26 -0.75 4.34 3.88 2iobB1 ALA 81 HB3 0.06 0.04 -0.21 -0.04 1.41 1.26 2iobB1 TRP 82 H 0.11 0.36 -0.14 -0.55 7.97 7.76 2iobB1 TRP 82 HA 0.06 0.14 0.39 -0.75 4.62 4.45 2iobB1 TRP 82 HB2 0.06 -0.01 0.07 -0.04 3.23 3.30 2iobB1 TRP 82 HB3 0.08 0.03 0.11 -0.04 3.23 3.40 2iobB1 TRP 82 HD1 0.07 0.05 -0.51 -0.04 7.22 6.80 2iobB1 TRP 82 HE1 0.06 0.11 0.01 -0.04 10.20 10.34 2iobB1 TRP 82 HE3 0.07 0.03 -0.34 -0.04 7.59 7.30 2iobB1 TRP 82 HZ2 0.05 -0.02 -0.03 -0.04 7.44 7.40 2iobB1 TRP 82 HZ3 0.05 0.03 -0.09 -0.04 7.13 7.09 2iobB1 TRP 82 HH2 0.04 -0.04 -0.05 -0.04 7.19 7.11 2iobB1 GLU 83 H -0.77 0.38 -0.37 -0.55 8.60 7.29 2iobB1 GLU 83 HA -0.39 0.06 0.43 -0.75 4.29 3.63 2iobB1 GLU 83 HB2 -0.46 0.27 0.07 -0.04 2.09 1.93 2iobB1 GLU 83 HB3 -0.33 -0.01 -0.05 -0.04 1.99 1.56 2iobB1 GLU 83 HG2 -1.19 0.02 -0.00 -0.04 2.34 1.12 2iobB1 GLU 83 HG3 -1.82 -0.03 0.02 -0.04 2.34 0.47 2iobB1 ILE 84 H -0.11 0.38 -0.27 -0.55 8.25 7.70 2iobB1 ILE 84 HA -0.13 0.03 0.40 -0.75 4.18 3.72 2iobB1 ILE 84 HB -0.09 0.10 0.05 -0.04 1.89 1.92 2iobB1 ILE 84 HG12 -0.25 0.03 0.01 -0.04 1.49 1.23 2iobB1 ILE 84 HG13 -0.08 -0.06 0.02 -0.04 1.21 1.05 2iobB1 ILE 84 HG23 -0.50 0.00 -0.13 -0.04 0.93 0.26 2iobB1 ILE 84 HD13 -0.09 -0.01 -0.00 -0.04 0.88 0.74 2iobB1 PHE 85 H 0.20 0.24 -0.38 -0.55 8.34 7.84 2iobB1 PHE 85 HA -0.06 0.06 0.24 -0.75 4.62 4.10 2iobB1 PHE 85 HB2 0.05 -0.05 0.03 -0.04 3.15 3.14 2iobB1 PHE 85 HB3 0.07 0.05 -0.06 -0.04 3.06 3.07 2iobB1 PHE 85 HD2 -0.02 -0.02 -0.13 -0.04 7.28 7.07 2iobB1 PHE 85 HE2 -0.12 0.02 -0.24 -0.04 7.38 6.99 2iobB1 PHE 85 HZ -0.23 0.08 -0.53 -0.04 7.32 6.61 2iobB1 SER 86 H 0.03 0.37 -0.57 -0.55 8.46 7.75 2iobB1 SER 86 HA -0.08 0.18 0.73 -0.75 4.49 4.56 2iobB1 SER 86 HB2 0.03 -0.02 0.11 -0.04 3.95 4.02 2iobB1 SER 86 HB3 0.10 -0.09 0.01 -0.04 3.93 3.91 2iobB1 LEU 87 H -0.09 0.52 -0.13 -0.55 8.37 8.12 2iobB1 LEU 87 HA -0.03 -0.01 0.57 -0.75 4.35 4.13 2iobB1 LEU 87 HB2 -0.16 0.13 0.11 -0.04 1.64 1.68 2iobB1 LEU 87 HB3 -0.25 -0.07 0.13 -0.04 1.64 1.41 2iobB1 LEU 87 HG -0.09 0.06 0.08 -0.04 1.64 1.65 2iobB1 LEU 87 HD13 -0.08 -0.03 0.06 -0.04 0.93 0.83 2iobB1 LEU 87 HD23 -0.06 -0.02 -0.02 -0.04 0.89 0.75 2iobB1 ARG 88 H 0.09 0.05 0.17 -0.55 8.46 8.22 2iobB1 ARG 88 HA -0.03 0.40 0.93 -0.75 4.34 4.89 2iobB1 ARG 88 HB2 0.08 -0.07 0.10 -0.04 1.90 1.97 2iobB1 ARG 88 HB3 0.02 -0.01 0.26 -0.04 1.80 2.03 2iobB1 ARG 88 HG2 -0.06 0.08 -0.40 -0.04 1.67 1.25 2iobB1 ARG 88 HG3 -0.06 -0.09 0.01 -0.04 1.67 1.49 2iobB1 ARG 88 HD2 -0.11 -0.04 0.13 -0.04 3.22 3.16 2iobB1 ARG 88 HD3 -0.14 0.20 0.09 -0.04 3.22 3.33 2iobB1 PHE 89 H -0.08 0.15 0.07 -0.55 8.34 7.92 2iobB1 PHE 89 HA 0.05 0.27 0.67 -0.75 4.62 4.85 2iobB1 PHE 89 HB2 0.07 0.12 0.04 -0.04 3.15 3.34 2iobB1 PHE 89 HB3 0.06 0.02 -0.26 -0.04 3.06 2.84 2iobB1 PHE 89 HD2 0.09 0.05 -0.36 -0.04 7.28 7.02 2iobB1 PHE 89 HE2 0.11 0.01 -0.12 -0.04 7.38 7.34 2iobB1 PHE 89 HZ 0.11 -0.03 -0.15 -0.04 7.32 7.20 2iobB1 LEU 90 H 0.26 0.71 0.28 -0.55 8.37 9.07 2iobB1 LEU 90 HA 0.09 0.13 0.83 -0.75 4.35 4.65 2iobB1 LEU 90 HB2 0.15 -0.03 -0.06 -0.04 1.64 1.66 2iobB1 LEU 90 HB3 0.17 0.04 -0.05 -0.04 1.64 1.76 2iobB1 LEU 90 HG 0.09 -0.04 -0.33 -0.04 1.64 1.33 2iobB1 LEU 90 HD13 0.12 -0.01 -0.14 -0.04 0.93 0.87 2iobB1 LEU 90 HD23 0.16 0.02 -0.11 -0.04 0.89 0.92 2iobB1 ARG 91 H 0.21 0.69 0.26 -0.55 8.46 9.06 2iobB1 ARG 91 HA 0.31 0.34 0.86 -0.75 4.34 5.09 2iobB1 ARG 91 HB2 0.44 -0.00 -0.12 -0.04 1.90 2.18 2iobB1 ARG 91 HB3 0.23 -0.06 -0.03 -0.04 1.80 1.90 2iobB1 ARG 91 HG2 0.20 -0.09 -0.65 -0.04 1.67 1.09 2iobB1 ARG 91 HG3 0.23 0.12 -0.25 -0.04 1.67 1.72 2iobB1 ARG 91 HD2 0.23 -0.01 -0.14 -0.04 3.22 3.26 2iobB1 ARG 91 HD3 0.15 -0.06 -0.17 -0.04 3.22 3.09 2iobB1 GLU 92 H 0.19 0.75 0.17 -0.55 8.60 9.16 2iobB1 GLU 92 HA 0.15 0.17 0.66 -0.75 4.29 4.51 2iobB1 GLU 92 HB2 0.12 0.06 0.03 -0.04 2.09 2.25 2iobB1 GLU 92 HB3 0.13 -0.21 0.15 -0.04 1.99 2.01 2iobB1 GLU 92 HG2 0.09 -0.17 -0.08 -0.04 2.34 2.14 2iobB1 GLU 92 HG3 0.09 0.16 0.02 -0.04 2.34 2.57 2iobB1 VAL 93 H 0.18 0.55 0.28 -0.55 8.24 8.70 2iobB1 VAL 93 HA 0.19 0.07 0.28 -0.75 4.13 3.92 2iobB1 VAL 93 HB 0.30 0.05 0.12 -0.04 2.12 2.56 2iobB1 VAL 93 HG13 0.15 0.00 -0.16 -0.04 0.97 0.92 2iobB1 VAL 93 HG23 0.24 0.02 -0.09 -0.04 0.95 1.08 2iobB1 VAL 94 H 0.12 0.15 0.02 -0.55 8.24 7.99 2iobB1 VAL 94 HA 0.20 0.10 0.31 -0.75 4.13 3.99 2iobB1 VAL 94 HB 0.06 -0.05 0.07 -0.04 2.12 2.15 2iobB1 VAL 94 HG13 0.04 0.01 -0.04 -0.04 0.97 0.94 2iobB1 VAL 94 HG23 0.06 0.01 0.07 -0.04 0.95 1.05 2iobB1 ASN 95 H 0.07 0.02 -0.22 -0.55 8.53 7.85 2iobB1 ASN 95 HA -0.10 0.34 1.11 -0.75 4.76 5.35 2iobB1 ASN 95 HB2 0.01 -0.03 0.04 -0.04 2.88 2.87 2iobB1 ASN 95 HB3 -0.06 0.04 0.09 -0.04 2.79 2.82 2iobB1 ASN 95 HD21 0.04 0.01 -0.03 -0.04 7.03 7.00 2iobB1 ASN 95 HD22 0.06 -0.03 -0.05 -0.04 7.74 7.68 2iobB1 ASP 96 H 0.11 0.26 -0.29 -0.55 8.40 7.93 2iobB1 ASP 96 HA 0.15 0.12 0.26 -0.75 4.63 4.40 2iobB1 ASP 96 HB2 -0.12 0.12 -0.17 -0.04 2.71 2.51 2iobB1 ASP 96 HB3 0.05 -0.09 0.16 -0.04 2.70 2.78 2iobB1 ASN 97 H 0.14 -0.02 -0.25 -0.55 8.53 7.85 2iobB1 ASN 97 HA 0.37 0.10 0.35 -0.75 4.76 4.82 2iobB1 ASN 97 HB2 0.12 -0.10 0.02 -0.04 2.88 2.88 2iobB1 ASN 97 HB3 0.10 0.06 -0.08 -0.04 2.79 2.84 2iobB1 ASN 97 HD21 0.13 0.00 -0.05 -0.04 7.03 7.07 2iobB1 ASN 97 HD22 0.35 0.06 -0.08 -0.04 7.74 8.03 2iobB1 ILE 98 H -0.01 0.16 0.16 -0.55 8.25 8.01 2iobB1 ILE 98 HA 0.13 0.15 0.74 -0.75 4.18 4.45 2iobB1 ILE 98 HB -0.10 -0.02 0.18 -0.04 1.89 1.91 2iobB1 ILE 98 HG12 -0.10 0.01 -0.08 -0.04 1.49 1.28 2iobB1 ILE 98 HG13 0.11 0.08 -0.02 -0.04 1.21 1.34 2iobB1 ILE 98 HG23 -0.14 -0.01 -0.14 -0.04 0.93 0.61 2iobB1 ILE 98 HD13 -0.14 -0.02 -0.12 -0.04 0.88 0.56 2iobB1 LEU 99 H 0.22 0.90 0.34 -0.55 8.37 9.28 2iobB1 LEU 99 HA 0.08 0.21 0.97 -0.75 4.35 4.86 2iobB1 LEU 99 HB2 0.14 -0.09 0.02 -0.04 1.64 1.67 2iobB1 LEU 99 HB3 0.08 0.04 -0.02 -0.04 1.64 1.70 2iobB1 LEU 99 HG 0.13 0.02 -0.23 -0.04 1.64 1.52 2iobB1 LEU 99 HD13 0.09 -0.01 -0.13 -0.04 0.93 0.84 2iobB1 LEU 99 HD23 0.07 0.01 -0.20 -0.04 0.89 0.72 2iobB1 PRO 100 HA 0.10 0.24 0.62 -0.51 4.44 4.90 2iobB1 PRO 100 HB2 0.03 0.16 -0.05 -0.04 2.28 2.38 2iobB1 PRO 100 HB3 0.04 0.01 0.09 -0.04 2.02 2.12 2iobB1 PRO 100 HG2 0.04 -0.07 -0.20 -0.04 2.03 1.76 2iobB1 PRO 100 HG3 0.03 -0.03 -0.04 -0.04 2.03 1.94 2iobB1 PRO 100 HD2 0.05 0.03 0.20 -0.04 3.68 3.91 2iobB1 PRO 100 HD3 0.04 0.19 0.16 -0.04 3.65 3.99 2iobB1 LEU 101 H 0.07 0.61 -0.01 -0.55 8.37 8.49 2iobB1 LEU 101 HA 0.05 0.09 0.72 -0.75 4.35 4.46 2iobB1 LEU 101 HB2 0.05 -0.06 -0.49 -0.04 1.64 1.10 2iobB1 LEU 101 HB3 0.00 -0.11 -0.40 -0.04 1.64 1.09 2iobB1 LEU 101 HG -0.02 0.11 -0.34 -0.04 1.64 1.34 2iobB1 LEU 101 HD13 0.06 -0.02 -0.41 -0.04 0.93 0.51 2iobB1 LEU 101 HD23 -0.08 0.02 -0.28 -0.04 0.89 0.51 2iobB1 GLN 102 H 0.06 0.63 0.31 -0.55 8.47 8.92 2iobB1 GLN 102 HA -0.20 0.27 1.15 -0.75 4.36 4.82 2iobB1 GLN 102 HB2 -0.10 -0.07 -0.03 -0.04 2.15 1.90 2iobB1 GLN 102 HB3 -0.47 0.00 0.07 -0.04 2.02 1.58 2iobB1 GLN 102 HG2 0.07 -0.00 -0.09 -0.04 2.40 2.34 2iobB1 GLN 102 HG3 0.10 0.19 -0.12 -0.04 2.39 2.52 2iobB1 GLN 102 HE21 -0.01 -0.08 -0.13 -0.04 6.97 6.71 2iobB1 GLN 102 HE22 0.03 0.51 -0.12 -0.04 7.69 8.06 2iobB1 ALA 103 H -0.51 0.22 0.22 -0.55 8.40 7.79 2iobB1 ALA 103 HA -0.35 0.19 0.94 -0.75 4.34 4.36 2iobB1 ALA 103 HB3 -0.90 0.03 0.03 -0.04 1.41 0.54 2iobB1 PHE 104 H -0.09 0.60 0.30 -0.55 8.34 8.60 2iobB1 PHE 104 HA -0.17 0.22 0.95 -0.75 4.62 4.87 2iobB1 PHE 104 HB2 -0.77 -0.09 0.08 -0.04 3.15 2.33 2iobB1 PHE 104 HB3 -0.26 0.02 0.05 -0.04 3.06 2.84 2iobB1 PHE 104 HD2 0.05 0.10 -0.20 -0.04 7.28 7.20 2iobB1 PHE 104 HE2 0.09 0.10 -0.16 -0.04 7.38 7.36 2iobB1 PHE 104 HZ 0.05 0.08 -0.12 -0.04 7.32 7.29 2iobB1 PRO 105 HA -0.13 0.32 0.73 -0.51 4.44 4.85 2iobB1 PRO 105 HB2 -0.07 0.12 0.09 -0.04 2.28 2.38 2iobB1 PRO 105 HB3 0.00 -0.03 0.15 -0.04 2.02 2.10 2iobB1 PRO 105 HG2 -0.05 -0.01 -0.02 -0.04 2.03 1.91 2iobB1 PRO 105 HG3 -0.01 0.02 0.06 -0.04 2.03 2.07 2iobB1 PRO 105 HD2 0.04 0.11 0.28 -0.04 3.68 4.08 2iobB1 PRO 105 HD3 -0.05 0.15 0.21 -0.04 3.65 3.92 2iobB1 ASN 106 H -0.30 0.40 0.17 -0.55 8.53 8.25 2iobB1 ASN 106 HA -0.33 -0.05 0.53 -0.75 4.76 4.16 2iobB1 ASN 106 HB2 -0.13 0.06 -0.01 -0.04 2.88 2.76 2iobB1 ASN 106 HB3 -0.05 0.03 0.07 -0.04 2.79 2.80 2iobB1 ASN 106 HD21 0.06 0.38 0.17 -0.04 7.03 7.60 2iobB1 ASN 106 HD22 -0.01 0.00 0.08 -0.04 7.74 7.78 2iobB1 GLY 107 H 0.36 0.39 0.48 -0.55 8.43 9.12 2iobB1 GLY 107 HA2 0.12 -0.07 0.10 -0.51 4.01 3.65 2iobB1 GLY 107 HA3 0.05 0.05 0.59 -0.51 4.01 4.19 2iobB1 SER 108 H 0.17 0.15 0.03 -0.55 8.46 8.27 2iobB1 SER 108 HA 0.05 0.16 0.55 -0.75 4.49 4.49 2iobB1 SER 108 HB2 -0.05 0.27 0.11 -0.04 3.95 4.24 2iobB1 SER 108 HB3 0.22 0.07 0.09 -0.04 3.93 4.27 2iobB1 PRO 109 HA 0.02 0.28 0.66 -0.51 4.44 4.89 2iobB1 PRO 109 HB2 -1.55 -0.04 0.02 -0.04 2.28 0.67 2iobB1 PRO 109 HB3 -0.40 0.03 0.11 -0.04 2.02 1.72 2iobB1 PRO 109 HG2 -0.32 -0.02 0.08 -0.04 2.03 1.73 2iobB1 PRO 109 HG3 -0.15 0.08 0.00 -0.04 2.03 1.92 2iobB1 PRO 109 HD2 -0.20 0.09 0.24 -0.04 3.68 3.77 2iobB1 PRO 109 HD3 -0.05 0.20 0.25 -0.04 3.65 4.01 2iobB1 ARG 110 H -0.00 0.10 -0.28 -0.55 8.46 7.72 2iobB1 ARG 110 HA -0.05 0.04 0.58 -0.75 4.34 4.15 2iobB1 ARG 110 HB2 -0.05 0.03 -0.02 -0.04 1.90 1.83 2iobB1 ARG 110 HB3 -0.35 -0.02 0.03 -0.04 1.80 1.42 2iobB1 ARG 110 HG2 -1.99 0.02 -0.14 -0.04 1.67 -0.49 2iobB1 ARG 110 HG3 -0.55 0.07 -0.32 -0.04 1.67 0.83 2iobB1 ARG 110 HD2 -0.25 -0.03 -0.10 -0.04 3.22 2.80 2iobB1 ARG 110 HD3 -0.17 -0.03 -0.01 -0.04 3.22 2.97 2iobB1 ALA 111 H -0.33 0.11 0.05 -0.55 8.40 7.68 2iobB1 ALA 111 HA -0.75 0.06 0.30 -0.75 4.34 3.20 2iobB1 ALA 111 HB3 -1.10 -0.00 -0.02 -0.04 1.41 0.25 2iobB1 PRO 112 HA -0.87 0.07 0.37 -0.51 4.44 3.50 2iobB1 PRO 112 HB2 -0.66 0.02 -0.11 -0.04 2.28 1.50 2iobB1 PRO 112 HB3 -1.87 0.00 -0.01 -0.04 2.02 0.10 2iobB1 PRO 112 HG2 -0.58 0.02 -0.05 -0.04 2.03 1.38 2iobB1 PRO 112 HG3 -1.06 -0.02 -0.08 -0.04 2.03 0.83 2iobB1 PRO 112 HD2 -0.69 0.05 0.10 -0.04 3.68 3.10 2iobB1 PRO 112 HD3 -1.24 0.19 0.05 -0.04 3.65 2.61 2iobB1 VAL 113 H -0.19 0.13 0.08 -0.55 8.24 7.71 2iobB1 VAL 113 HA -0.16 0.20 0.82 -0.75 4.13 4.23 2iobB1 VAL 113 HB -0.06 -0.01 0.08 -0.04 2.12 2.08 2iobB1 VAL 113 HG13 -0.13 0.04 -0.23 -0.04 0.97 0.61 2iobB1 VAL 113 HG23 -0.03 0.01 -0.14 -0.04 0.95 0.76 2iobB1 ALA 114 H -0.04 0.11 0.07 -0.55 8.40 7.99 2iobB1 ALA 114 HA 0.01 0.04 0.37 -0.75 4.34 4.01 2iobB1 ALA 114 HB3 0.04 0.01 0.05 -0.04 1.41 1.47 2iobB1 GLY 115 H 0.10 0.71 0.31 -0.55 8.43 9.00 2iobB1 GLY 115 HA2 0.31 0.01 0.34 -0.51 4.01 4.16 2iobB1 GLY 115 HA3 0.17 0.08 0.47 -0.51 4.01 4.23 2iobB1 ALA 116 H 0.05 0.32 -0.24 -0.55 8.40 7.98 2iobB1 ALA 116 HA 0.11 0.19 0.59 -0.75 4.34 4.48 2iobB1 ALA 116 HB3 0.10 -0.03 0.05 -0.04 1.41 1.49 2iobB1 LEU 117 H 0.14 0.39 0.36 -0.55 8.37 8.71 2iobB1 LEU 117 HA 0.10 0.15 0.72 -0.75 4.35 4.56 2iobB1 LEU 117 HB2 0.07 -0.05 0.18 -0.04 1.64 1.79 2iobB1 LEU 117 HB3 0.01 -0.02 -0.03 -0.04 1.64 1.56 2iobB1 LEU 117 HG 0.09 0.07 0.02 -0.04 1.64 1.78 2iobB1 LEU 117 HD13 -0.20 -0.00 -0.09 -0.04 0.93 0.59 2iobB1 LEU 117 HD23 0.08 -0.00 -0.06 -0.04 0.89 0.87 2iobB1 LEU 118 H 0.13 0.80 0.39 -0.55 8.37 9.14 2iobB1 LEU 118 HA 0.14 0.25 0.93 -0.75 4.35 4.91 2iobB1 LEU 118 HB2 0.09 0.02 -0.14 -0.04 1.64 1.56 2iobB1 LEU 118 HB3 0.17 -0.07 0.02 -0.04 1.64 1.72 2iobB1 LEU 118 HG -0.68 -0.04 -0.25 -0.04 1.64 0.63 2iobB1 LEU 118 HD13 0.04 0.05 -0.13 -0.04 0.93 0.84 2iobB1 LEU 118 HD23 -0.02 -0.02 -0.19 -0.04 0.89 0.62 2iobB1 ILE 119 H -0.04 0.76 0.34 -0.55 8.25 8.76 2iobB1 ILE 119 HA 0.19 0.30 1.23 -0.75 4.18 5.14 2iobB1 ILE 119 HB -0.22 -0.06 0.04 -0.04 1.89 1.61 2iobB1 ILE 119 HG12 0.14 0.08 -0.20 -0.04 1.49 1.48 2iobB1 ILE 119 HG13 0.23 0.01 -0.19 -0.04 1.21 1.22 2iobB1 ILE 119 HG23 0.11 0.01 -0.08 -0.04 0.93 0.93 2iobB1 ILE 119 HD13 0.02 0.03 -0.30 -0.04 0.88 0.59 2iobB1 TRP 120 H 0.42 0.75 0.40 -0.55 7.97 8.99 2iobB1 TRP 120 HA 0.00 0.04 1.03 -0.75 4.62 4.93 2iobB1 TRP 120 HB2 -0.15 -0.10 0.14 -0.04 3.23 3.08 2iobB1 TRP 120 HB3 0.08 0.18 -0.01 -0.04 3.23 3.44 2iobB1 TRP 120 HD1 0.35 -0.05 -0.22 -0.04 7.22 7.25 2iobB1 TRP 120 HE1 0.41 -0.09 -0.14 -0.04 10.20 10.34 2iobB1 TRP 120 HE3 -0.04 0.13 -0.39 -0.04 7.59 7.25 2iobB1 TRP 120 HZ2 0.22 -0.06 -0.14 -0.04 7.44 7.42 2iobB1 TRP 120 HZ3 0.05 0.04 -0.24 -0.04 7.13 6.95 2iobB1 TRP 120 HH2 0.15 0.01 -0.20 -0.04 7.19 7.11 2iobB1 ASP 121 H 0.14 0.59 0.34 -0.55 8.40 8.93 2iobB1 ASP 121 HA 0.17 0.02 0.56 -0.75 4.63 4.64 2iobB1 ASP 121 HB2 -0.01 -0.00 0.10 -0.04 2.71 2.76 2iobB1 ASP 121 HB3 0.04 0.11 0.06 -0.04 2.70 2.87 2iobB1 LYS 122 H -0.18 0.06 0.11 -0.55 8.42 7.86 2iobB1 LYS 122 HA 0.17 0.05 0.53 -0.75 4.32 4.32 2iobB1 LYS 122 HB2 0.01 0.49 0.22 -0.04 1.87 2.55 2iobB1 LYS 122 HB3 0.01 -0.06 -0.20 -0.04 1.79 1.50 2iobB1 LYS 122 HG2 -0.45 -0.10 0.09 -0.04 1.46 0.96 2iobB1 LYS 122 HG3 -0.18 0.01 -0.05 -0.04 1.46 1.20 2iobB1 LYS 122 HD2 -0.12 0.00 0.06 -0.04 1.69 1.59 2iobB1 LYS 122 HD3 -0.33 0.07 -0.02 -0.04 1.68 1.37 2iobB1 LYS 122 HE2 -0.34 -0.02 0.01 -0.04 2.99 2.60 2iobB1 LYS 122 HE3 -0.47 -0.02 0.01 -0.04 2.99 2.46 2iobB1 GLY 123 H 0.09 0.26 -0.25 -0.55 8.43 7.99 2iobB1 GLY 123 HA2 0.02 -0.04 0.32 -0.51 4.01 3.80 2iobB1 GLY 123 HA3 0.04 0.25 0.85 -0.51 4.01 4.64 2iobB1 GLY 124 H -0.01 0.13 0.12 -0.55 8.43 8.13 2iobB1 GLY 124 HA2 -0.05 0.05 0.32 -0.51 4.01 3.82 2iobB1 GLY 124 HA3 -0.04 0.18 0.27 -0.51 4.01 3.91 2iobB1 GLU 125 H -0.27 0.05 0.04 -0.55 8.60 7.87 2iobB1 GLU 125 HA -0.48 0.07 0.40 -0.75 4.29 3.53 2iobB1 GLU 125 HB2 -0.87 -0.09 0.12 -0.04 2.09 1.21 2iobB1 GLU 125 HB3 -1.30 0.00 0.03 -0.04 1.99 0.69 2iobB1 GLU 125 HG2 -3.29 -0.02 -0.02 -0.04 2.34 -1.04 2iobB1 GLU 125 HG3 -1.74 0.07 -0.11 -0.04 2.34 0.51 2iobB1 PHE 126 H -0.18 0.41 -0.50 -0.55 8.34 7.52 2iobB1 PHE 126 HA -0.10 0.23 0.80 -0.75 4.62 4.79 2iobB1 PHE 126 HB2 0.03 0.16 0.01 -0.04 3.15 3.32 2iobB1 PHE 126 HB3 0.03 0.05 -0.02 -0.04 3.06 3.07 2iobB1 PHE 126 HD2 -0.19 0.07 -0.10 -0.04 7.28 7.01 2iobB1 PHE 126 HE2 -0.82 0.02 -0.10 -0.04 7.38 6.44 2iobB1 PHE 126 HZ -0.54 -0.01 -0.12 -0.04 7.32 6.61 2iobB1 LYS 127 H -0.03 0.48 -0.52 -0.55 8.42 7.80 2iobB1 LYS 127 HA 0.02 -0.05 0.28 -0.75 4.32 3.82 2iobB1 LYS 127 HB2 0.03 -0.23 0.18 -0.04 1.87 1.81 2iobB1 LYS 127 HB3 0.01 0.02 0.07 -0.04 1.79 1.85 2iobB1 LYS 127 HG2 -0.04 -0.01 0.04 -0.04 1.46 1.41 2iobB1 LYS 127 HG3 -0.06 0.29 0.01 -0.04 1.46 1.65 2iobB1 LYS 127 HD2 0.01 -0.10 0.01 -0.04 1.69 1.57 2iobB1 LYS 127 HD3 -0.00 -0.03 0.04 -0.04 1.68 1.65 2iobB1 LYS 127 HE2 -0.07 -0.06 0.04 -0.04 2.99 2.86 2iobB1 LYS 127 HE3 -0.14 0.28 0.10 -0.04 2.99 3.19 2iobB1 ASP 128 H 0.08 0.13 0.09 -0.55 8.40 8.15 2iobB1 ASP 128 HA 0.08 0.25 0.99 -0.75 4.63 5.19 2iobB1 ASP 128 HB2 0.07 -0.02 0.12 -0.04 2.71 2.84 2iobB1 ASP 128 HB3 0.11 0.04 0.01 -0.04 2.70 2.83 2iobB1 THR 129 H 0.18 0.10 -0.04 -0.55 8.28 7.97 2iobB1 THR 129 HA 0.35 0.16 0.90 -0.75 4.39 5.04 2iobB1 THR 129 HB 0.16 -0.08 0.11 -0.04 4.32 4.48 2iobB1 THR 129 HG23 0.13 -0.01 -0.04 -0.04 1.22 1.26 2iobB1 GLY 130 H 0.27 0.39 0.05 -0.55 8.43 8.60 2iobB1 GLY 130 HA2 0.30 0.37 -0.03 -0.51 4.01 4.13 2iobB1 GLY 130 HA3 0.39 0.05 0.34 -0.51 4.01 4.28 2iobB1 HIS 131 H 0.21 0.49 0.29 -0.55 8.41 8.86 2iobB1 HIS 131 HA -0.12 0.06 0.63 -0.75 4.63 4.44 2iobB1 HIS 131 HB2 -1.39 0.10 -0.36 -0.04 3.26 1.57 2iobB1 HIS 131 HB3 -1.39 -0.07 -0.14 -0.04 3.20 1.57 2iobB1 HIS 131 HD2 -2.04 -0.06 -0.27 -0.04 6.97 4.55 2iobB1 HIS 131 HE1 -0.09 0.17 0.02 -0.04 7.75 7.80 2iobB1 VAL 132 H -0.87 0.21 0.21 -0.55 8.24 7.23 2iobB1 VAL 132 HA 0.07 0.39 1.18 -0.75 4.13 5.02 2iobB1 VAL 132 HB -0.00 -0.02 -0.11 -0.04 2.12 1.95 2iobB1 VAL 132 HG13 0.02 0.04 -0.01 -0.04 0.97 0.97 2iobB1 VAL 132 HG23 0.01 -0.01 -0.13 -0.04 0.95 0.78 2iobB1 ALA 133 H 0.21 0.73 0.42 -0.55 8.40 9.21 2iobB1 ALA 133 HA 0.09 0.16 0.90 -0.75 4.34 4.74 2iobB1 ALA 133 HB3 0.33 -0.01 -0.07 -0.04 1.41 1.61 2iobB1 ILE 134 H 0.12 0.53 0.35 -0.55 8.25 8.70 2iobB1 ILE 134 HA 0.04 0.28 0.94 -0.75 4.18 4.68 2iobB1 ILE 134 HB -0.39 -0.10 0.08 -0.04 1.89 1.44 2iobB1 ILE 134 HG12 -0.06 -0.10 -0.09 -0.04 1.49 1.21 2iobB1 ILE 134 HG13 -0.51 0.05 -0.05 -0.04 1.21 0.65 2iobB1 ILE 134 HG23 -0.42 0.04 -0.31 -0.04 0.93 0.20 2iobB1 ILE 134 HD13 0.12 0.05 -0.09 -0.04 0.88 0.92 2iobB1 ILE 135 H 0.04 0.73 0.18 -0.55 8.25 8.64 2iobB1 ILE 135 HA 0.02 0.09 0.72 -0.75 4.18 4.25 2iobB1 ILE 135 HB 0.00 0.03 0.22 -0.04 1.89 2.10 2iobB1 ILE 135 HG12 -0.01 -0.03 -0.14 -0.04 1.49 1.27 2iobB1 ILE 135 HG13 0.04 0.02 -0.15 -0.04 1.21 1.08 2iobB1 ILE 135 HG23 -0.07 -0.01 -0.24 -0.04 0.93 0.57 2iobB1 ILE 135 HD13 -0.13 -0.01 -0.14 -0.04 0.88 0.56 2iobB1 THR 136 H 0.02 0.38 0.30 -0.55 8.28 8.43 2iobB1 THR 136 HA 0.09 0.15 0.76 -0.75 4.39 4.64 2iobB1 THR 136 HB 0.15 0.03 0.03 -0.04 4.32 4.49 2iobB1 THR 136 HG23 -0.06 0.04 -0.06 -0.04 1.22 1.10 2iobB1 GLN 137 H -0.02 0.38 0.15 -0.55 8.47 8.43 2iobB1 GLN 137 HA 0.01 0.14 0.56 -0.75 4.36 4.32 2iobB1 GLN 137 HB2 0.02 0.13 -0.13 -0.04 2.15 2.13 2iobB1 GLN 137 HB3 -0.10 -0.10 -0.03 -0.04 2.02 1.76 2iobB1 GLN 137 HG2 -0.05 -0.04 -0.53 -0.04 2.40 1.74 2iobB1 GLN 137 HG3 -0.01 0.05 -0.02 -0.04 2.39 2.37 2iobB1 GLN 137 HE21 -0.22 -0.01 -0.06 -0.04 6.97 6.64 2iobB1 GLN 137 HE22 -0.04 0.05 -0.09 -0.04 7.69 7.56 2iobB1 LEU 138 H -0.02 0.22 0.06 -0.55 8.37 8.08 2iobB1 LEU 138 HA -0.07 0.23 0.89 -0.75 4.35 4.65 2iobB1 LEU 138 HB2 -0.04 -0.04 0.20 -0.04 1.64 1.73 2iobB1 LEU 138 HB3 -0.07 0.12 0.02 -0.04 1.64 1.67 2iobB1 LEU 138 HG -0.05 -0.09 -0.12 -0.04 1.64 1.34 2iobB1 LEU 138 HD13 -0.11 0.01 -0.04 -0.04 0.93 0.75 2iobB1 LEU 138 HD23 -0.12 0.03 -0.36 -0.04 0.89 0.39 2iobB1 HIS 139 H -0.01 0.45 -0.05 -0.55 8.41 8.25 2iobB1 HIS 139 HA -0.07 0.13 0.68 -0.75 4.63 4.62 2iobB1 HIS 139 HB2 -0.17 -0.01 -0.06 -0.04 3.26 2.98 2iobB1 HIS 139 HB3 -0.17 -0.06 0.14 -0.04 3.20 3.08 2iobB1 HIS 139 HD2 -0.04 0.04 0.00 -0.04 6.97 6.93 2iobB1 HIS 139 HE1 -0.02 0.00 -0.03 -0.04 7.75 7.66 2iobB1 GLY 140 H -0.02 0.28 -0.09 -0.55 8.43 8.05 2iobB1 GLY 140 HA2 -0.06 0.05 0.33 -0.51 4.01 3.81 2iobB1 GLY 140 HA3 -0.13 -0.01 0.46 -0.51 4.01 3.82 2iobB1 ASN 141 H -0.10 0.12 0.27 -0.55 8.53 8.27 2iobB1 ASN 141 HA -0.05 0.20 0.70 -0.75 4.76 4.85 2iobB1 ASN 141 HB2 -0.06 -0.06 0.15 -0.04 2.88 2.86 2iobB1 ASN 141 HB3 -0.06 -0.03 0.05 -0.04 2.79 2.71 2iobB1 ASN 141 HD21 -0.04 -0.02 0.09 -0.04 7.03 7.02 2iobB1 ASN 141 HD22 -0.04 -0.05 0.06 -0.04 7.74 7.67 2iobB1 LYS 142 H -0.09 0.43 -0.11 -0.55 8.42 8.10 2iobB1 LYS 142 HA -0.08 0.19 0.84 -0.75 4.32 4.52 2iobB1 LYS 142 HB2 -0.08 0.01 0.04 -0.04 1.87 1.80 2iobB1 LYS 142 HB3 -0.15 -0.04 -0.07 -0.04 1.79 1.49 2iobB1 LYS 142 HG2 -0.09 -0.06 -0.02 -0.04 1.46 1.25 2iobB1 LYS 142 HG3 -0.07 -0.01 -0.04 -0.04 1.46 1.30 2iobB1 LYS 142 HD2 -0.07 0.06 -0.15 -0.04 1.69 1.49 2iobB1 LYS 142 HD3 -0.06 -0.01 -0.10 -0.04 1.68 1.47 2iobB1 LYS 142 HE2 -0.05 -0.00 -0.09 -0.04 2.99 2.80 2iobB1 LYS 142 HE3 -0.10 -0.03 -0.22 -0.04 2.99 2.60 2iobB1 VAL 143 H -0.10 0.91 0.28 -0.55 8.24 8.78 2iobB1 VAL 143 HA -0.11 0.18 0.89 -0.75 4.13 4.33 2iobB1 VAL 143 HB -0.08 -0.01 0.10 -0.04 2.12 2.08 2iobB1 VAL 143 HG13 -0.10 -0.01 -0.22 -0.04 0.97 0.60 2iobB1 VAL 143 HG23 -0.16 0.01 -0.26 -0.04 0.95 0.50 2iobB1 ARG 144 H -0.15 0.59 0.25 -0.55 8.46 8.59 2iobB1 ARG 144 HA -0.22 0.21 0.97 -0.75 4.34 4.55 2iobB1 ARG 144 HB2 -0.24 0.00 0.18 -0.04 1.90 1.80 2iobB1 ARG 144 HB3 -0.26 0.03 0.05 -0.04 1.80 1.59 2iobB1 ARG 144 HG2 -1.38 0.02 -0.06 -0.04 1.67 0.21 2iobB1 ARG 144 HG3 -0.57 -0.06 -0.12 -0.04 1.67 0.87 2iobB1 ARG 144 HD2 -0.56 -0.01 -0.09 -0.04 3.22 2.52 2iobB1 ARG 144 HD3 -1.93 0.01 -0.09 -0.04 3.22 1.17 2iobB1 ILE 145 H 0.10 0.60 0.44 -0.55 8.25 8.84 2iobB1 ILE 145 HA 0.06 0.13 1.13 -0.75 4.18 4.74 2iobB1 ILE 145 HB 0.16 0.08 0.01 -0.04 1.89 2.10 2iobB1 ILE 145 HG12 0.16 0.13 0.03 -0.04 1.49 1.77 2iobB1 ILE 145 HG13 0.17 -0.10 -0.31 -0.04 1.21 0.92 2iobB1 ILE 145 HG23 0.12 0.02 -0.32 -0.04 0.93 0.70 2iobB1 ILE 145 HD13 0.36 -0.01 -0.19 -0.04 0.88 1.00 2iobB1 ALA 146 H 0.07 0.67 0.44 -0.55 8.40 9.03 2iobB1 ALA 146 HA -0.00 -0.04 0.87 -0.75 4.34 4.42 2iobB1 ALA 146 HB3 0.06 0.06 0.05 -0.04 1.41 1.53 2iobB1 GLU 147 H -0.38 0.33 0.20 -0.55 8.60 8.20 2iobB1 GLU 147 HA -0.09 0.11 0.63 -0.75 4.29 4.20 2iobB1 GLU 147 HB2 0.11 0.17 0.17 -0.04 2.09 2.50 2iobB1 GLU 147 HB3 0.09 0.02 -0.31 -0.04 1.99 1.76 2iobB1 GLU 147 HG2 -0.04 -0.08 -0.15 -0.04 2.34 2.03 2iobB1 GLU 147 HG3 0.08 0.05 -0.36 -0.04 2.34 2.06 2iobB1 GLN 148 H 0.05 0.20 0.25 -0.55 8.47 8.43 2iobB1 GLN 148 HA -0.14 0.23 1.07 -0.75 4.36 4.76 2iobB1 GLN 148 HB2 0.21 -0.01 0.04 -0.04 2.15 2.36 2iobB1 GLN 148 HB3 0.17 0.24 -0.07 -0.04 2.02 2.32 2iobB1 GLN 148 HG2 -0.05 0.23 0.18 -0.04 2.40 2.72 2iobB1 GLN 148 HG3 -0.27 -0.07 -0.12 -0.04 2.39 1.89 2iobB1 GLN 148 HE21 0.64 -0.06 -0.18 -0.04 6.97 7.33 2iobB1 GLN 148 HE22 0.38 0.39 -0.19 -0.04 7.69 8.23 2iobB1 ASN 149 H -0.07 0.28 0.22 -0.55 8.53 8.42 2iobB1 ASN 149 HA -0.01 0.03 0.36 -0.75 4.76 4.38 2iobB1 ASN 149 HB2 0.19 0.05 -0.16 -0.04 2.88 2.91 2iobB1 ASN 149 HB3 0.17 0.10 0.21 -0.04 2.79 3.23 2iobB1 ASN 149 HD21 0.17 -0.00 0.11 -0.04 7.03 7.27 2iobB1 ASN 149 HD22 0.15 0.01 0.22 -0.04 7.74 8.08 2iobB1 VAL 150 H -0.18 0.07 -0.18 -0.55 8.24 7.40 2iobB1 VAL 150 HA -0.01 0.14 0.60 -0.75 4.13 4.11 2iobB1 VAL 150 HB -0.02 -0.08 -0.05 -0.04 2.12 1.93 2iobB1 VAL 150 HG13 0.17 -0.01 -0.16 -0.04 0.97 0.93 2iobB1 VAL 150 HG23 -0.12 0.02 -0.20 -0.04 0.95 0.61 2iobB1 ILE 151 H -0.13 0.09 0.07 -0.55 8.25 7.72 2iobB1 ILE 151 HA -0.05 0.11 0.55 -0.75 4.18 4.04 2iobB1 ILE 151 HB -0.14 0.00 0.06 -0.04 1.89 1.77 2iobB1 ILE 151 HG12 -0.04 -0.15 -0.02 -0.04 1.49 1.24 2iobB1 ILE 151 HG13 -0.06 0.09 0.07 -0.04 1.21 1.27 2iobB1 ILE 151 HG23 -0.08 0.01 0.01 -0.04 0.93 0.83 2iobB1 ILE 151 HD13 -0.02 0.03 0.01 -0.04 0.88 0.86 2iobB1 HIS 152 H 0.01 0.07 0.20 -0.55 8.41 8.14 2iobB1 HIS 152 HA -0.02 0.14 0.67 -0.75 4.63 4.66 2iobB1 HIS 152 HB2 0.00 0.02 -0.06 -0.04 3.26 3.19 2iobB1 HIS 152 HB3 0.00 -0.01 0.09 -0.04 3.20 3.25 2iobB1 HIS 152 HD2 0.02 0.08 -0.22 -0.04 6.97 6.80 2iobB1 HIS 152 HE1 0.05 -0.80 0.14 -0.04 7.75 7.09 2iobB1 SER 153 H -0.01 0.00 0.15 -0.55 8.46 8.06 2iobB1 SER 153 HA 0.01 0.21 0.90 -0.75 4.49 4.85 2iobB1 SER 153 HB2 -0.02 0.16 0.03 -0.04 3.95 4.09 2iobB1 SER 153 HB3 0.01 -0.01 0.05 -0.04 3.93 3.93 2iobB1 PRO 154 HA -0.09 0.02 0.51 -0.51 4.44 4.37 2iobB1 PRO 154 HB2 -0.05 -0.04 0.05 -0.04 2.28 2.20 2iobB1 PRO 154 HB3 -0.06 0.09 0.13 -0.04 2.02 2.14 2iobB1 PRO 154 HG2 -0.03 -0.00 0.07 -0.04 2.03 2.03 2iobB1 PRO 154 HG3 -0.05 0.12 0.03 -0.04 2.03 2.09 2iobB1 PRO 154 HD2 -0.02 0.05 0.20 -0.04 3.68 3.87 2iobB1 PRO 154 HD3 -0.02 0.15 0.11 -0.04 3.65 3.86 2iobB1 LEU 155 H -0.12 0.54 0.37 -0.55 8.37 8.61 2iobB1 LEU 155 HA -0.15 0.09 0.77 -0.75 4.35 4.31 2iobB1 LEU 155 HB2 -0.18 0.06 0.19 -0.04 1.64 1.66 2iobB1 LEU 155 HB3 -0.28 -0.02 0.20 -0.04 1.64 1.50 2iobB1 LEU 155 HG -0.17 -0.02 0.01 -0.04 1.64 1.42 2iobB1 LEU 155 HD13 -0.20 -0.02 -0.15 -0.04 0.93 0.52 2iobB1 LEU 155 HD23 -0.19 -0.01 0.04 -0.04 0.89 0.70 2iobB1 PRO 156 HA -0.09 0.03 0.44 -0.51 4.44 4.30 2iobB1 PRO 156 HB2 -0.19 0.03 -0.01 -0.04 2.28 2.07 2iobB1 PRO 156 HB3 -0.10 -0.01 0.12 -0.04 2.02 1.99 2iobB1 PRO 156 HG2 -0.21 0.01 0.08 -0.04 2.03 1.88 2iobB1 PRO 156 HG3 -0.12 0.04 0.09 -0.04 2.03 2.00 2iobB1 PRO 156 HD2 -0.35 0.10 0.22 -0.04 3.68 3.61 2iobB1 PRO 156 HD3 -0.19 0.16 0.25 -0.04 3.65 3.82 2iobB1 GLN 157 H -0.07 0.07 0.17 -0.55 8.47 8.10 2iobB1 GLN 157 HA -0.06 0.08 0.43 -0.75 4.36 4.06 2iobB1 GLN 157 HB2 -0.04 -0.03 0.18 -0.04 2.15 2.22 2iobB1 GLN 157 HB3 -0.03 0.02 -0.01 -0.04 2.02 1.95 2iobB1 GLN 157 HG2 -0.03 0.04 0.07 -0.04 2.40 2.43 2iobB1 GLN 157 HG3 -0.03 -0.01 0.05 -0.04 2.39 2.36 2iobB1 GLN 157 HE21 -0.01 0.00 0.02 -0.04 6.97 6.94 2iobB1 GLN 157 HE22 -0.03 0.06 0.02 -0.04 7.69 7.71 2iobB1 GLY 158 H -0.04 0.15 0.18 -0.55 8.43 8.16 2iobB1 GLY 158 HA2 -0.03 0.00 0.31 -0.51 4.01 3.79 2iobB1 GLY 158 HA3 -0.03 0.04 0.32 -0.51 4.01 3.83 2iobB1 GLN 159 H -0.15 0.41 -0.58 -0.55 8.47 7.60 2iobB1 GLN 159 HA -0.26 0.01 0.57 -0.75 4.36 3.93 2iobB1 GLN 159 HB2 -0.42 -0.03 -0.04 -0.04 2.15 1.62 2iobB1 GLN 159 HB3 -0.39 0.13 0.10 -0.04 2.02 1.82 2iobB1 GLN 159 HG2 -1.02 0.12 -0.11 -0.04 2.40 1.35 2iobB1 GLN 159 HG3 -1.96 -0.11 -0.00 -0.04 2.39 0.28 2iobB1 GLN 159 HE21 -0.68 -0.06 0.01 -0.04 6.97 6.19 2iobB1 GLN 159 HE22 -0.80 0.43 0.12 -0.04 7.69 7.39 2iobB1 GLN 160 H -0.03 0.11 0.12 -0.55 8.47 8.12 2iobB1 GLN 160 HA -0.01 0.38 0.96 -0.75 4.36 4.93 2iobB1 GLN 160 HB2 0.16 -0.08 0.11 -0.04 2.15 2.30 2iobB1 GLN 160 HB3 0.14 -0.06 0.20 -0.04 2.02 2.26 2iobB1 GLN 160 HG2 0.05 0.08 -0.26 -0.04 2.40 2.23 2iobB1 GLN 160 HG3 0.04 0.13 -0.15 -0.04 2.39 2.37 2iobB1 GLN 160 HE21 0.01 -0.07 -0.07 -0.04 6.97 6.80 2iobB1 GLN 160 HE22 0.02 -0.00 -0.11 -0.04 7.69 7.56 2iobB1 TRP 161 H -0.40 0.29 -0.29 -0.55 7.97 7.02 2iobB1 TRP 161 HA -0.01 0.12 0.60 -0.75 4.62 4.57 2iobB1 TRP 161 HB2 -0.01 0.07 0.10 -0.04 3.23 3.36 2iobB1 TRP 161 HB3 -0.00 0.01 -0.09 -0.04 3.23 3.10 2iobB1 TRP 161 HD1 -0.03 -0.01 -0.18 -0.04 7.22 6.97 2iobB1 TRP 161 HE1 -0.06 0.03 -0.04 -0.04 10.20 10.09 2iobB1 TRP 161 HE3 -0.01 -0.01 -0.65 -0.04 7.59 6.87 2iobB1 TRP 161 HZ2 -0.02 0.01 -0.06 -0.04 7.44 7.33 2iobB1 TRP 161 HZ3 -0.01 -0.02 -0.19 -0.04 7.13 6.87 2iobB1 TRP 161 HH2 -0.00 0.00 -0.07 -0.04 7.19 7.08 2iobB1 THR 162 H 0.19 0.50 0.43 -0.55 8.28 8.85 2iobB1 THR 162 HA -0.06 0.19 0.81 -0.75 4.39 4.57 2iobB1 THR 162 HB -0.01 -0.05 -0.00 -0.04 4.32 4.21 2iobB1 THR 162 HG23 -0.15 0.06 0.04 -0.04 1.22 1.13 2iobB1 ARG 163 H 0.29 0.32 0.25 -0.55 8.46 8.77 2iobB1 ARG 163 HA 0.31 0.20 0.76 -0.75 4.34 4.85 2iobB1 ARG 163 HB2 0.15 -0.05 -0.11 -0.04 1.90 1.84 2iobB1 ARG 163 HB3 0.08 0.05 -0.03 -0.04 1.80 1.86 2iobB1 ARG 163 HG2 0.03 0.14 -0.06 -0.04 1.67 1.75 2iobB1 ARG 163 HG3 0.06 -0.09 -0.43 -0.04 1.67 1.17 2iobB1 ARG 163 HD2 -0.14 -0.02 -0.07 -0.04 3.22 2.96 2iobB1 ARG 163 HD3 -0.13 0.02 -0.11 -0.04 3.22 2.96 2iobB1 GLU 164 H 0.10 0.26 0.15 -0.55 8.60 8.57 2iobB1 GLU 164 HA -0.21 0.20 0.77 -0.75 4.29 4.30 2iobB1 GLU 164 HB2 -0.61 -0.01 -0.10 -0.04 2.09 1.33 2iobB1 GLU 164 HB3 -0.12 0.01 0.05 -0.04 1.99 1.89 2iobB1 GLU 164 HG2 -0.19 0.01 -0.19 -0.04 2.34 1.92 2iobB1 GLU 164 HG3 -0.46 -0.01 -0.16 -0.04 2.34 1.67 2iobB1 LEU 165 H -0.07 0.66 0.27 -0.55 8.37 8.68 2iobB1 LEU 165 HA 0.01 0.21 1.02 -0.75 4.35 4.84 2iobB1 LEU 165 HB2 -0.01 -0.04 -0.01 -0.04 1.64 1.53 2iobB1 LEU 165 HB3 0.04 0.24 0.05 -0.04 1.64 1.92 2iobB1 LEU 165 HG 0.10 0.07 -0.15 -0.04 1.64 1.62 2iobB1 LEU 165 HD13 0.13 -0.01 -0.21 -0.04 0.93 0.80 2iobB1 LEU 165 HD23 0.17 -0.03 -0.31 -0.04 0.89 0.68 2iobB1 GLU 166 H -0.01 0.23 0.20 -0.55 8.60 8.47 2iobB1 GLU 166 HA -0.04 0.11 0.65 -0.75 4.29 4.25 2iobB1 GLU 166 HB2 -0.02 -0.02 0.06 -0.04 2.09 2.07 2iobB1 GLU 166 HB3 -0.01 -0.00 0.15 -0.04 1.99 2.09 2iobB1 GLU 166 HG2 -0.01 -0.04 -0.07 -0.04 2.34 2.18 2iobB1 GLU 166 HG3 -0.02 0.04 -0.38 -0.04 2.34 1.94 2iobB1 MET 167 H -0.04 0.60 0.38 -0.55 8.47 8.86 2iobB1 MET 167 HA -0.02 0.23 1.08 -0.75 4.52 5.05 2iobB1 MET 167 HB2 -0.08 -0.05 -0.17 -0.04 2.15 1.81 2iobB1 MET 167 HB3 -0.05 0.09 0.02 -0.04 2.03 2.05 2iobB1 MET 167 HG2 0.03 -0.02 -0.37 -0.04 2.63 2.23 2iobB1 MET 167 HG3 -0.03 -0.04 -0.22 -0.04 2.56 2.23 2iobB1 MET 167 HE3 0.01 0.00 -0.14 -0.04 2.10 1.92 2iobB1 VAL 168 H -0.01 0.67 0.32 -0.55 8.24 8.68 2iobB1 VAL 168 HA -0.04 0.14 0.97 -0.75 4.13 4.45 2iobB1 VAL 168 HB -0.01 0.01 0.09 -0.04 2.12 2.17 2iobB1 VAL 168 HG13 -0.04 -0.01 -0.19 -0.04 0.97 0.69 2iobB1 VAL 168 HG23 -0.01 -0.00 -0.18 -0.04 0.95 0.72 2iobB1 VAL 169 H -0.09 0.19 0.12 -0.55 8.24 7.91 2iobB1 VAL 169 HA -0.36 0.43 0.98 -0.75 4.13 4.43 2iobB1 VAL 169 HB -0.16 -0.05 0.15 -0.04 2.12 2.01 2iobB1 VAL 169 HG13 -0.57 -0.01 -0.21 -0.04 0.97 0.13 2iobB1 VAL 169 HG23 -0.12 0.01 -0.17 -0.04 0.95 0.64 2iobB1 GLU 170 H -0.18 0.62 0.08 -0.55 8.60 8.58 2iobB1 GLU 170 HA -0.09 0.09 0.82 -0.75 4.29 4.35 2iobB1 GLU 170 HB2 -0.05 -0.01 0.03 -0.04 2.09 2.02 2iobB1 GLU 170 HB3 -0.06 0.03 -0.12 -0.04 1.99 1.79 2iobB1 GLU 170 HG2 -0.05 0.02 -0.10 -0.04 2.34 2.17 2iobB1 GLU 170 HG3 -0.05 0.04 0.05 -0.04 2.34 2.34 2iobB1 ASN 171 H -0.08 0.14 0.08 -0.55 8.53 8.12 2iobB1 ASN 171 HA -0.05 0.02 0.33 -0.75 4.76 4.30 2iobB1 ASN 171 HB2 -0.04 -0.06 -0.22 -0.04 2.88 2.52 2iobB1 ASN 171 HB3 -0.05 0.32 0.15 -0.04 2.79 3.17 2iobB1 ASN 171 HD21 -0.01 -0.01 0.02 -0.04 7.03 6.99 2iobB1 ASN 171 HD22 -0.02 -0.01 -0.00 -0.04 7.74 7.66 2iobB1 GLY 172 H -0.11 0.03 -0.05 -0.55 8.43 7.75 2iobB1 GLY 172 HA2 -0.09 -0.01 0.26 -0.51 4.01 3.67 2iobB1 GLY 172 HA3 -0.05 0.08 0.36 -0.51 4.01 3.89 2iobB1 CYS 173 H -0.16 0.09 -0.94 -0.55 8.50 6.94 2iobB1 CYS 173 HA 0.00 0.25 0.59 -0.75 4.58 4.67 2iobB1 CYS 173 HB2 -0.06 0.05 -0.04 -0.04 2.97 2.87 2iobB1 CYS 173 HB3 0.00 0.11 -0.25 -0.04 2.97 2.79 2iobB1 TYR 174 H 0.31 0.75 -0.04 -0.55 8.29 8.75 2iobB1 TYR 174 HA 0.01 0.24 0.94 -0.75 4.56 5.00 2iobB1 TYR 174 HB2 0.17 0.12 -0.00 -0.04 3.06 3.31 2iobB1 TYR 174 HB3 -0.10 -0.07 -0.11 -0.04 2.98 2.66 2iobB1 TYR 174 HD2 -0.05 0.14 -0.19 -0.04 7.15 7.02 2iobB1 TYR 174 HE2 -0.06 0.11 -0.11 -0.04 6.85 6.74 2iobB1 THR 175 H 0.06 0.58 0.30 -0.55 8.28 8.67 2iobB1 THR 175 HA 0.25 0.00 1.11 -0.75 4.39 4.99 2iobB1 THR 175 HB 0.03 -0.01 0.12 -0.04 4.32 4.42 2iobB1 THR 175 HG23 0.06 0.00 -0.16 -0.04 1.22 1.08 2iobB1 LEU 176 H 0.22 0.11 0.16 -0.55 8.37 8.31 2iobB1 LEU 176 HA 0.01 0.28 0.96 -0.75 4.35 4.84 2iobB1 LEU 176 HB2 0.09 -0.06 0.03 -0.04 1.64 1.66 2iobB1 LEU 176 HB3 -0.01 0.03 -0.10 -0.04 1.64 1.52 2iobB1 LEU 176 HG -0.21 -0.03 -0.14 -0.04 1.64 1.21 2iobB1 LEU 176 HD13 -0.15 -0.00 -0.13 -0.04 0.93 0.61 2iobB1 LEU 176 HD23 -0.15 0.02 -0.17 -0.04 0.89 0.55 2iobB1 LYS 177 H 0.02 0.62 0.26 -0.55 8.42 8.77 2iobB1 LYS 177 HA 0.05 0.14 1.00 -0.75 4.32 4.76 2iobB1 LYS 177 HB2 0.03 -0.07 0.16 -0.04 1.87 1.94 2iobB1 LYS 177 HB3 0.04 0.05 0.05 -0.04 1.79 1.89 2iobB1 LYS 177 HG2 0.03 0.03 -0.21 -0.04 1.46 1.27 2iobB1 LYS 177 HG3 0.01 0.04 -0.12 -0.04 1.46 1.35 2iobB1 LYS 177 HD2 0.01 -0.03 -0.04 -0.04 1.69 1.59 2iobB1 LYS 177 HD3 0.02 0.01 -0.03 -0.04 1.68 1.65 2iobB1 LYS 177 HE2 0.01 0.02 -0.08 -0.04 2.99 2.89 2iobB1 LYS 177 HE3 0.00 -0.01 -0.09 -0.04 2.99 2.85 2iobB1 ASP 178 H 0.13 0.13 0.10 -0.55 8.40 8.21 2iobB1 ASP 178 HA 0.25 0.08 0.43 -0.75 4.63 4.63 2iobB1 ASP 178 HB2 0.35 0.02 0.04 -0.04 2.71 3.08 2iobB1 ASP 178 HB3 0.30 0.25 0.10 -0.04 2.70 3.31 2iobB1 THR 179 H 0.04 0.08 0.14 -0.55 8.28 7.99 2iobB1 THR 179 HA -0.05 0.23 0.80 -0.75 4.39 4.61 2iobB1 THR 179 HB -0.29 0.01 0.14 -0.04 4.32 4.14 2iobB1 THR 179 HG23 -0.05 -0.00 0.05 -0.04 1.22 1.18 2iobB1 PHE 180 H 0.14 -0.02 -0.08 -0.55 8.34 7.83 2iobB1 PHE 180 HA 0.00 0.22 0.78 -0.75 4.62 4.86 2iobB1 PHE 180 HB2 0.02 -0.04 0.01 -0.04 3.15 3.09 2iobB1 PHE 180 HB3 -0.08 -0.11 0.10 -0.04 3.06 2.93 2iobB1 PHE 180 HD2 -0.08 0.00 -0.01 -0.04 7.28 7.15 2iobB1 PHE 180 HE2 -0.10 0.04 -0.06 -0.04 7.38 7.22 2iobB1 PHE 180 HZ -0.12 0.05 -0.07 -0.04 7.32 7.14 2iobB1 ASP 181 H 0.16 0.12 0.12 -0.55 8.40 8.25 2iobB1 ASP 181 HA 0.11 0.32 1.01 -0.75 4.63 5.32 2iobB1 ASP 181 HB2 0.06 0.05 0.10 -0.04 2.71 2.88 2iobB1 ASP 181 HB3 0.07 0.07 -0.05 -0.04 2.70 2.75 2iobB1 ASP 182 H 0.07 -0.03 0.03 -0.55 8.40 7.92 2iobB1 ASP 182 HA 0.04 0.34 0.91 -0.75 4.63 5.17 2iobB1 ASP 182 HB2 -0.00 0.03 0.20 -0.04 2.71 2.90 2iobB1 ASP 182 HB3 0.01 0.07 0.03 -0.04 2.70 2.76 2iobB1 THR 183 H 0.16 0.07 -0.34 -0.55 8.28 7.61 2iobB1 THR 183 HA 0.16 0.30 0.62 -0.75 4.39 4.71 2iobB1 THR 183 HB 0.67 0.04 -0.04 -0.04 4.32 4.95 2iobB1 THR 183 HG23 -0.04 -0.03 -0.06 -0.04 1.22 1.05 2iobB1 THR 184 H 0.37 0.24 -0.03 -0.55 8.28 8.31 2iobB1 THR 184 HA 0.09 0.19 0.82 -0.75 4.39 4.74 2iobB1 THR 184 HB 0.09 -0.03 0.07 -0.04 4.32 4.41 2iobB1 THR 184 HG23 -0.01 0.02 -0.16 -0.04 1.22 1.04 2iobB1 ILE 185 H -0.04 0.20 0.07 -0.55 8.25 7.93 2iobB1 ILE 185 HA -0.52 0.05 0.73 -0.75 4.18 3.68 2iobB1 ILE 185 HB -0.18 0.05 0.13 -0.04 1.89 1.85 2iobB1 ILE 185 HG12 -1.50 0.00 -0.12 -0.04 1.49 -0.17 2iobB1 ILE 185 HG13 -0.14 -0.09 -0.08 -0.04 1.21 0.86 2iobB1 ILE 185 HG23 -0.42 0.01 -0.11 -0.04 0.93 0.38 2iobB1 ILE 185 HD13 -0.15 0.03 -0.19 -0.04 0.88 0.53 2iobB1 LEU 186 H -0.34 0.53 0.49 -0.55 8.37 8.50 2iobB1 LEU 186 HA -0.33 0.09 0.68 -0.75 4.35 4.04 2iobB1 LEU 186 HB2 -0.90 0.06 0.06 -0.04 1.64 0.81 2iobB1 LEU 186 HB3 -1.60 0.04 -0.02 -0.04 1.64 0.02 2iobB1 LEU 186 HG -0.16 -0.12 -0.02 -0.04 1.64 1.30 2iobB1 LEU 186 HD13 -0.03 -0.01 -0.13 -0.04 0.93 0.72 2iobB1 LEU 186 HD23 -0.11 0.01 0.01 -0.04 0.89 0.76 2iobB1 GLY 187 H -0.47 0.32 0.27 -0.55 8.43 8.00 2iobB1 GLY 187 HA2 -0.46 -0.07 0.26 -0.51 4.01 3.23 2iobB1 GLY 187 HA3 -0.43 0.48 0.81 -0.51 4.01 4.36 2iobB1 TRP 188 H -0.89 0.45 0.26 -0.55 7.97 7.23 2iobB1 TRP 188 HA 0.10 0.31 1.21 -0.75 4.62 5.48 2iobB1 TRP 188 HB2 0.07 0.02 -0.00 -0.04 3.23 3.28 2iobB1 TRP 188 HB3 0.01 -0.08 -0.03 -0.04 3.23 3.09 2iobB1 TRP 188 HD1 -0.01 0.01 -0.27 -0.04 7.22 6.91 2iobB1 TRP 188 HE1 -0.18 0.42 -0.27 -0.04 10.20 10.13 2iobB1 TRP 188 HE3 -0.07 -0.06 -0.22 -0.04 7.59 7.20 2iobB1 TRP 188 HZ2 0.03 0.16 0.03 -0.04 7.44 7.62 2iobB1 TRP 188 HZ3 -0.06 -0.13 -0.00 -0.04 7.13 6.89 2iobB1 TRP 188 HH2 0.03 -0.01 0.10 -0.04 7.19 7.28 2iobB1 MET 189 H 0.29 0.49 0.36 -0.55 8.47 9.07 2iobB1 MET 189 HA 0.19 0.47 1.13 -0.75 4.52 5.56 2iobB1 MET 189 HB2 0.07 -0.15 0.07 -0.04 2.15 2.10 2iobB1 MET 189 HB3 0.02 0.09 -0.08 -0.04 2.03 2.02 2iobB1 MET 189 HG2 0.08 0.06 -0.37 -0.04 2.63 2.36 2iobB1 MET 189 HG3 0.18 -0.08 -0.22 -0.04 2.56 2.40 2iobB1 MET 189 HE3 -0.03 -0.08 -0.34 -0.04 2.10 1.61 2iobB1 ILE 190 H 0.29 0.60 0.28 -0.55 8.25 8.88 2iobB1 ILE 190 HA 0.14 0.15 0.97 -0.75 4.18 4.69 2iobB1 ILE 190 HB 0.34 0.02 -0.05 -0.04 1.89 2.15 2iobB1 ILE 190 HG12 0.18 -0.02 -0.24 -0.04 1.49 1.36 2iobB1 ILE 190 HG13 0.43 -0.03 -0.42 -0.04 1.21 1.15 2iobB1 ILE 190 HG23 0.06 0.01 -0.25 -0.04 0.93 0.71 2iobB1 ILE 190 HD13 -0.11 0.03 -0.17 -0.04 0.88 0.58 2iobB1 GLN 191 H 0.06 0.17 0.06 -0.55 8.47 8.21 2iobB1 GLN 191 HA 0.07 0.23 0.69 -0.75 4.36 4.59 2iobB1 GLN 191 HB2 0.05 -0.04 0.02 -0.04 2.15 2.14 2iobB1 GLN 191 HB3 0.01 -0.04 0.18 -0.04 2.02 2.12 2iobB1 GLN 191 HG2 0.07 0.30 -0.17 -0.04 2.40 2.56 2iobB1 GLN 191 HG3 0.06 -0.07 -0.11 -0.04 2.39 2.23 2iobB1 GLN 191 HE21 0.04 -0.15 -0.21 -0.04 6.97 6.61 2iobB1 GLN 191 HE22 0.05 0.46 -0.21 -0.04 7.69 7.95 2iobB1 THR 192 H 0.08 0.43 0.18 -0.55 8.28 8.42 2iobB1 THR 192 HA 0.04 0.10 0.63 -0.75 4.39 4.40 2iobB1 THR 192 HB 0.06 0.08 -0.24 -0.04 4.32 4.18 2iobB1 THR 192 HG23 0.16 0.05 -0.20 -0.04 1.22 1.19 2iobB1 GLU 193 H 0.03 0.11 0.13 -0.55 8.60 8.32 2iobB1 GLU 193 HA 0.02 0.19 0.56 -0.75 4.29 4.31 2iobB1 GLU 193 HB2 0.01 -0.05 0.10 -0.04 2.09 2.11 2iobB1 GLU 193 HB3 0.00 -0.01 0.06 -0.04 1.99 2.00 2iobB1 GLU 193 HG2 0.01 0.01 0.01 -0.04 2.34 2.33 2iobB1 GLU 193 HG3 0.00 -0.01 0.04 -0.04 2.34 2.33 2iobB1 ASP 194 H 0.05 0.02 -0.20 -0.55 8.40 7.72 2iobB1 ASP 194 HA 0.01 0.04 0.58 -0.75 4.63 4.51 2iobB1 ASP 194 HB2 0.02 -0.02 0.06 -0.04 2.71 2.73 2iobB1 ASP 194 HB3 0.06 0.05 0.09 -0.04 2.70 2.86 2iobB1 THR 195 H -0.00 0.13 0.18 -0.55 8.28 8.04 2iobB1 THR 195 HA 0.02 0.26 0.62 -0.75 4.39 4.53 2iobB1 THR 195 HB -0.05 0.00 0.13 -0.04 4.32 4.37 2iobB1 THR 195 HG23 -0.03 0.05 -0.03 -0.04 1.22 1.17 2iobB1 GLU 196 H -0.02 0.00 -0.23 -0.55 8.60 7.81 2iobB1 GLU 196 HA -0.15 0.03 0.51 -0.75 4.29 3.93 2iobB1 GLU 196 HB2 -0.20 -0.03 0.07 -0.04 2.09 1.89 2iobB1 GLU 196 HB3 -0.19 0.01 0.03 -0.04 1.99 1.80 2iobB1 GLU 196 HG2 -1.82 0.05 -0.28 -0.04 2.34 0.25 2iobB1 GLU 196 HG3 -0.86 -0.03 0.01 -0.04 2.34 1.42 2iobB1 TYR 197 H -0.09 0.10 0.18 -0.55 8.29 7.93 2iobB1 TYR 197 HA 0.10 -0.01 0.36 -0.75 4.56 4.25 2iobB1 TYR 197 HB2 0.32 0.26 0.13 -0.04 3.06 3.72 2iobB1 TYR 197 HB3 0.23 -0.06 0.18 -0.04 2.98 3.29 2iobB1 TYR 197 HD2 0.06 0.05 -0.09 -0.04 7.15 7.13 2iobB1 TYR 197 HE2 0.04 0.00 -0.07 -0.04 6.85 6.79 2iobB1 SER 198 H 0.07 0.28 -0.60 -0.55 8.46 7.66 2iobB1 SER 198 HA -0.52 0.23 0.62 -0.75 4.49 4.07 2iobB1 SER 198 HB2 -0.50 -0.02 0.15 -0.04 3.95 3.53 2iobB1 SER 198 HB3 -0.41 -0.02 -0.03 -0.04 3.93 3.43 2iobB1 LEU 199 H -0.40 0.50 0.32 -0.55 8.37 8.24 2iobB1 LEU 199 HA -0.11 0.05 0.63 -0.75 4.35 4.16 2iobB1 LEU 199 HB2 -0.34 -0.04 0.05 -0.04 1.64 1.27 2iobB1 LEU 199 HB3 -0.15 0.06 0.04 -0.04 1.64 1.55 2iobB1 LEU 199 HG -0.18 0.08 0.04 -0.04 1.64 1.54 2iobB1 LEU 199 HD13 -0.04 -0.03 -0.15 -0.04 0.93 0.67 2iobB1 LEU 199 HD23 -0.03 -0.01 0.03 -0.04 0.89 0.84 2iobB1 PRO 200 HA -0.09 0.05 0.47 -0.51 4.44 4.35 2iobB1 PRO 200 HB2 -0.05 0.05 -0.07 -0.04 2.28 2.17 2iobB1 PRO 200 HB3 -0.05 -0.01 0.09 -0.04 2.02 2.01 2iobB1 PRO 200 HG2 -0.03 -0.02 0.07 -0.04 2.03 2.00 2iobB1 PRO 200 HG3 -0.04 0.06 0.10 -0.04 2.03 2.11 2iobB1 PRO 200 HD2 -0.06 0.06 0.17 -0.04 3.68 3.81 2iobB1 PRO 200 HD3 -0.06 0.13 0.30 -0.04 3.65 3.97 2iobB1 GLN 201 H -0.09 0.05 0.14 -0.55 8.47 8.02 2iobB1 GLN 201 HA -0.11 0.17 0.42 -0.75 4.36 4.08 2iobB1 GLN 201 HB2 -0.08 -0.00 0.13 -0.04 2.15 2.15 2iobB1 GLN 201 HB3 -0.07 -0.10 0.13 -0.04 2.02 1.93 2iobB1 GLN 201 HG2 -0.04 0.16 -0.09 -0.04 2.40 2.39 2iobB1 GLN 201 HG3 -0.05 0.18 0.10 -0.04 2.39 2.58 2iobB1 GLN 201 HE21 0.03 -0.15 0.04 -0.04 6.97 6.85 2iobB1 GLN 201 HE22 0.01 0.38 0.13 -0.04 7.69 8.17 2iobB1 PRO 202 HA 0.01 0.00 0.39 -0.51 4.44 4.33 2iobB1 PRO 202 HB2 0.06 -0.05 -0.02 -0.04 2.28 2.24 2iobB1 PRO 202 HB3 0.06 -0.04 0.03 -0.04 2.02 2.04 2iobB1 PRO 202 HG2 0.06 -0.02 -0.00 -0.04 2.03 2.03 2iobB1 PRO 202 HG3 0.02 0.06 0.05 -0.04 2.03 2.12 2iobB1 PRO 202 HD2 -0.03 0.11 0.23 -0.04 3.68 3.94 2iobB1 PRO 202 HD3 -0.10 0.26 0.22 -0.04 3.65 3.99 2iobB1 GLU 203 H 0.02 0.16 0.16 -0.55 8.60 8.40 2iobB1 GLU 203 HA 0.03 0.14 0.82 -0.75 4.29 4.53 2iobB1 GLU 203 HB2 0.02 -0.08 0.08 -0.04 2.09 2.08 2iobB1 GLU 203 HB3 0.03 0.03 0.04 -0.04 1.99 2.05 2iobB1 GLU 203 HG2 -0.01 0.11 -0.14 -0.04 2.34 2.25 2iobB1 GLU 203 HG3 -0.00 0.07 -0.09 -0.04 2.34 2.28 2iobB1 ILE 204 H 0.06 0.17 0.05 -0.55 8.25 7.98 2iobB1 ILE 204 HA 0.07 0.01 0.46 -0.75 4.18 3.96 2iobB1 ILE 204 HB 0.08 0.04 0.01 -0.04 1.89 1.97 2iobB1 ILE 204 HG12 0.06 0.11 -0.15 -0.04 1.49 1.47 2iobB1 ILE 204 HG13 0.08 -0.05 -0.00 -0.04 1.21 1.20 2iobB1 ILE 204 HG23 0.07 0.01 -0.11 -0.04 0.93 0.86 2iobB1 ILE 204 HD13 0.06 -0.02 -0.23 -0.04 0.88 0.65 2iobB1 ALA 205 H 0.05 0.08 0.15 -0.55 8.40 8.14 2iobB1 ALA 205 HA 0.04 0.13 0.49 -0.75 4.34 4.25 2iobB1 ALA 205 HB3 0.04 -0.00 0.14 -0.04 1.41 1.54 2iobB1 GLY 206 H 0.05 0.21 0.21 -0.55 8.43 8.35 2iobB1 GLY 206 HA2 0.07 0.16 0.31 -0.51 4.01 4.04 2iobB1 GLY 206 HA3 0.06 0.23 0.41 -0.51 4.01 4.19 2iobB1 GLU 207 H 0.04 0.07 -0.29 -0.55 8.60 7.87 2iobB1 GLU 207 HA 0.03 0.08 0.44 -0.75 4.29 4.09 2iobB1 GLU 207 HB2 0.03 0.02 0.07 -0.04 2.09 2.17 2iobB1 GLU 207 HB3 0.03 -0.02 -0.01 -0.04 1.99 1.95 2iobB1 GLU 207 HG2 0.02 0.01 -0.02 -0.04 2.34 2.31 2iobB1 GLU 207 HG3 0.02 0.00 -0.12 -0.04 2.34 2.21 2iobB1 LEU 208 H 0.04 0.45 -0.24 -0.55 8.37 8.07 2iobB1 LEU 208 HA 0.03 0.08 0.49 -0.75 4.35 4.20 2iobB1 LEU 208 HB2 0.05 0.22 0.01 -0.04 1.64 1.87 2iobB1 LEU 208 HB3 0.05 -0.17 0.08 -0.04 1.64 1.55 2iobB1 LEU 208 HG 0.04 -0.02 0.02 -0.04 1.64 1.63 2iobB1 LEU 208 HD13 0.06 -0.02 0.03 -0.04 0.93 0.96 2iobB1 LEU 208 HD23 0.04 -0.01 0.01 -0.04 0.89 0.89 2iobB1 LEU 209 H 0.04 0.39 -0.67 -0.55 8.37 7.59 2iobB1 LEU 209 HA 0.02 0.06 0.61 -0.75 4.35 4.29 2iobB1 LEU 209 HB2 0.06 0.23 -0.19 -0.04 1.64 1.70 2iobB1 LEU 209 HB3 0.04 -0.02 -0.06 -0.04 1.64 1.56 2iobB1 LEU 209 HG 0.05 -0.03 -0.27 -0.04 1.64 1.36 2iobB1 LEU 209 HD13 0.08 0.02 -0.13 -0.04 0.93 0.86 2iobB1 LEU 209 HD23 0.02 -0.02 -0.13 -0.04 0.89 0.72 2iobB1 LYS 210 H 0.03 0.26 -0.42 -0.55 8.42 7.73 2iobB1 LYS 210 HA 0.03 0.01 0.53 -0.75 4.32 4.14 2iobB1 LYS 210 HB2 0.02 0.19 0.14 -0.04 1.87 2.18 2iobB1 LYS 210 HB3 0.02 0.04 -0.11 -0.04 1.79 1.70 2iobB1 LYS 210 HG2 0.02 -0.01 0.08 -0.04 1.46 1.52 2iobB1 LYS 210 HG3 0.03 -0.05 0.05 -0.04 1.46 1.45 2iobB1 LYS 210 HD2 0.02 -0.01 0.11 -0.04 1.69 1.77 2iobB1 LYS 210 HD3 0.02 0.02 0.03 -0.04 1.68 1.71 2iobB1 LYS 210 HE2 0.01 -0.00 0.03 -0.04 2.99 2.99 2iobB1 LYS 210 HE3 0.01 0.03 0.04 -0.04 2.99 3.03 2iobB1 ILE 211 H 0.01 0.15 0.23 -0.55 8.25 8.09 2iobB1 ILE 211 HA 0.01 0.22 0.87 -0.75 4.18 4.52 2iobB1 ILE 211 HB -0.04 -0.05 0.13 -0.04 1.89 1.90 2iobB1 ILE 211 HG12 -0.04 -0.04 -0.09 -0.04 1.49 1.28 2iobB1 ILE 211 HG13 -0.01 0.10 0.05 -0.04 1.21 1.30 2iobB1 ILE 211 HG23 -0.04 -0.00 -0.15 -0.04 0.93 0.69 2iobB1 ILE 211 HD13 -0.07 -0.02 -0.00 -0.04 0.88 0.75 2iobB1 SER 212 H 0.04 0.52 0.31 -0.55 8.46 8.79 2iobB1 SER 212 HA 0.06 0.17 0.99 -0.75 4.49 4.96 2iobB1 SER 212 HB2 -0.01 -0.05 0.05 -0.04 3.95 3.90 2iobB1 SER 212 HB3 -0.01 0.10 0.05 -0.04 3.93 4.02 2iobB1 GLY 213 H 0.02 0.12 0.17 -0.55 8.43 8.20 2iobB1 GLY 213 HA2 -0.47 0.18 0.75 -0.51 4.01 3.95 2iobB1 GLY 213 HA3 -0.10 0.00 0.34 -0.51 4.01 3.75 2iobB1 ALA 214 H -0.93 0.61 0.42 -0.55 8.40 7.96 2iobB1 ALA 214 HA -0.28 0.10 0.57 -0.75 4.34 3.98 2iobB1 ALA 214 HB3 -0.94 -0.00 -0.16 -0.04 1.41 0.27 2iobB1 ARG 215 H -0.08 0.23 0.16 -0.55 8.46 8.22 2iobB1 ARG 215 HA 0.09 0.32 1.10 -0.75 4.34 5.09 2iobB1 ARG 215 HB2 0.02 -0.09 -0.15 -0.04 1.90 1.64 2iobB1 ARG 215 HB3 0.06 -0.02 -0.01 -0.04 1.80 1.79 2iobB1 ARG 215 HG2 0.07 -0.03 -0.02 -0.04 1.67 1.65 2iobB1 ARG 215 HG3 0.15 0.12 0.07 -0.04 1.67 1.97 2iobB1 ARG 215 HD2 0.12 -0.01 -0.12 -0.04 3.22 3.17 2iobB1 ARG 215 HD3 0.06 -0.04 -0.05 -0.04 3.22 3.15 2iobB1 LEU 216 H 0.33 0.86 0.34 -0.55 8.37 9.36 2iobB1 LEU 216 HA 0.25 0.08 0.84 -0.75 4.35 4.75 2iobB1 LEU 216 HB2 0.37 -0.10 0.09 -0.04 1.64 1.96 2iobB1 LEU 216 HB3 0.16 0.10 0.11 -0.04 1.64 1.97 2iobB1 LEU 216 HG 0.40 0.01 -0.14 -0.04 1.64 1.87 2iobB1 LEU 216 HD13 -0.23 0.04 -0.12 -0.04 0.93 0.58 2iobB1 LEU 216 HD23 0.08 0.03 -0.03 -0.04 0.89 0.93 2iobB1 GLU 217 H 0.09 0.14 0.16 -0.55 8.60 8.44 2iobB1 GLU 217 HA 0.04 0.05 0.50 -0.75 4.29 4.13 2iobB1 GLU 217 HB2 0.02 0.02 0.13 -0.04 2.09 2.22 2iobB1 GLU 217 HB3 0.01 0.01 0.16 -0.04 1.99 2.14 2iobB1 GLU 217 HG2 -0.00 0.01 -0.19 -0.04 2.34 2.11 2iobB1 GLU 217 HG3 -0.00 0.00 0.01 -0.04 2.34 2.32 2iobB1 ASN 218 H -0.04 0.16 0.13 -0.55 8.53 8.23 2iobB1 ASN 218 HA -0.04 0.10 0.76 -0.75 4.76 4.82 2iobB1 ASN 218 HB2 -0.39 0.08 0.10 -0.04 2.88 2.63 2iobB1 ASN 218 HB3 -0.21 0.02 0.23 -0.04 2.79 2.79 2iobB1 ASN 218 HD21 -0.59 0.01 -0.01 -0.04 7.03 6.40 2iobB1 ASN 218 HD22 -0.57 0.05 0.02 -0.04 7.74 7.19 2iobB1 LYS 219 H 0.07 0.26 0.14 -0.55 8.42 8.34 2iobB1 LYS 219 HA -0.02 0.22 0.82 -0.75 4.32 4.59 2iobB1 LYS 219 HB2 -0.03 0.02 0.09 -0.04 1.87 1.91 2iobB1 LYS 219 HB3 -0.02 0.03 0.17 -0.04 1.79 1.92 2iobB1 LYS 219 HG2 -0.02 0.01 -0.12 -0.04 1.46 1.29 2iobB1 LYS 219 HG3 -0.01 -0.02 -0.30 -0.04 1.46 1.09 2iobB1 LYS 219 HD2 -0.04 0.03 -0.01 -0.04 1.69 1.62 2iobB1 LYS 219 HD3 -0.05 0.03 0.01 -0.04 1.68 1.64 2iobB1 LYS 219 HE2 -0.03 -0.03 -0.03 -0.04 2.99 2.87 2iobB1 LYS 219 HE3 -0.04 0.03 -0.00 -0.04 2.99 2.93 2iobB1 GLY 220 H 0.01 0.09 -0.22 -0.55 8.43 7.76 2iobB1 GLY 220 HA2 0.14 0.01 0.28 -0.51 4.01 3.92 2iobB1 GLY 220 HA3 0.04 0.17 0.42 -0.51 4.01 4.13 2iobB1 GLN 221 H 0.08 -0.01 -0.28 -0.55 8.47 7.71 2iobB1 GLN 221 HA -0.20 0.13 0.27 -0.75 4.36 3.81 2iobB1 GLN 221 HB2 -0.69 -0.11 -0.01 -0.04 2.15 1.30 2iobB1 GLN 221 HB3 -0.83 0.22 -0.06 -0.04 2.02 1.31 2iobB1 GLN 221 HG2 -0.32 0.24 0.17 -0.04 2.40 2.45 2iobB1 GLN 221 HG3 -0.18 -0.01 0.06 -0.04 2.39 2.22 2iobB1 GLN 221 HE21 0.03 0.31 0.19 -0.04 6.97 7.45 2iobB1 GLN 221 HE22 -0.12 0.11 0.11 -0.04 7.69 7.75 2iobB1 PHE 222 H 0.12 -0.05 -0.45 -0.55 8.34 7.40 2iobB1 PHE 222 HA -0.13 0.28 0.96 -0.75 4.62 4.97 2iobB1 PHE 222 HB2 -0.39 -0.06 -0.02 -0.04 3.15 2.64 2iobB1 PHE 222 HB3 -0.53 0.06 0.15 -0.04 3.06 2.69 2iobB1 PHE 222 HD2 -1.75 -0.05 -0.11 -0.04 7.28 5.33 2iobB1 PHE 222 HE2 -0.92 0.01 -0.09 -0.04 7.38 6.34 2iobB1 PHE 222 HZ -1.63 0.07 -0.07 -0.04 7.32 5.66 2iobB1 ASP 223 H 0.13 0.62 -0.19 -0.55 8.40 8.41 2iobB1 ASP 223 HA 0.19 0.11 0.44 -0.75 4.63 4.62 2iobB1 ASP 223 HB2 0.12 -0.09 0.13 -0.04 2.71 2.83 2iobB1 ASP 223 HB3 0.09 0.03 0.04 -0.04 2.70 2.82 2iobB1 GLY 224 H 0.18 0.09 -0.38 -0.55 8.43 7.78 2iobB1 GLY 224 HA2 0.13 0.23 0.92 -0.51 4.01 4.78 2iobB1 GLY 224 HA3 0.11 -0.05 0.30 -0.51 4.01 3.86 2iobB1 LYS 225 H 0.08 0.14 0.08 -0.55 8.42 8.17 2iobB1 LYS 225 HA 0.02 0.10 0.70 -0.75 4.32 4.39 2iobB1 LYS 225 HB2 0.02 -0.01 0.24 -0.04 1.87 2.09 2iobB1 LYS 225 HB3 -0.04 0.07 0.14 -0.04 1.79 1.92 2iobB1 LYS 225 HG2 0.01 0.03 0.02 -0.04 1.46 1.47 2iobB1 LYS 225 HG3 0.03 -0.03 0.07 -0.04 1.46 1.49 2iobB1 LYS 225 HD2 0.00 -0.00 0.06 -0.04 1.69 1.71 2iobB1 LYS 225 HD3 -0.01 -0.03 0.05 -0.04 1.68 1.64 2iobB1 LYS 225 HE2 0.00 0.01 0.01 -0.04 2.99 2.98 2iobB1 LYS 225 HE3 0.01 0.01 0.02 -0.04 2.99 3.00 2iobB1 TRP 226 H 0.00 0.30 0.14 -0.55 7.97 7.87 2iobB1 TRP 226 HA 0.01 0.18 0.68 -0.75 4.62 4.74 2iobB1 TRP 226 HB2 0.04 0.01 0.08 -0.04 3.23 3.33 2iobB1 TRP 226 HB3 0.03 0.08 0.02 -0.04 3.23 3.32 2iobB1 TRP 226 HD1 0.17 0.27 0.10 -0.04 7.22 7.72 2iobB1 TRP 226 HE1 0.13 0.34 0.08 -0.04 10.20 10.71 2iobB1 TRP 226 HE3 0.17 0.03 -0.27 -0.04 7.59 7.48 2iobB1 TRP 226 HZ2 0.09 -0.07 -0.31 -0.04 7.44 7.11 2iobB1 TRP 226 HZ3 0.21 0.01 -0.11 -0.04 7.13 7.19 2iobB1 TRP 226 HH2 0.10 -0.04 -0.17 -0.04 7.19 7.05 2iobB1 LEU 227 H -0.53 0.08 -0.10 -0.55 8.37 7.28 2iobB1 LEU 227 HA -0.23 0.16 0.74 -0.75 4.35 4.27 2iobB1 LEU 227 HB2 -0.41 -0.03 -0.05 -0.04 1.64 1.11 2iobB1 LEU 227 HB3 -0.29 -0.02 -0.06 -0.04 1.64 1.23 2iobB1 LEU 227 HG -1.95 -0.03 -0.16 -0.04 1.64 -0.55 2iobB1 LEU 227 HD13 -0.33 0.01 -0.08 -0.04 0.93 0.49 2iobB1 LEU 227 HD23 -0.46 0.02 -0.06 -0.04 0.89 0.36 2iobB1 ASP 228 H -0.07 0.14 0.05 -0.55 8.40 7.97 2iobB1 ASP 228 HA -0.04 0.21 0.74 -0.75 4.63 4.78 2iobB1 ASP 228 HB2 -0.02 0.14 0.04 -0.04 2.71 2.83 2iobB1 ASP 228 HB3 -0.02 -0.02 0.17 -0.04 2.70 2.79 2iobB1 GLU 229 H -0.04 0.27 0.13 -0.55 8.60 8.41 2iobB1 GLU 229 HA -0.03 0.05 0.19 -0.75 4.29 3.75 2iobB1 GLU 229 HB2 -0.02 0.01 0.07 -0.04 2.09 2.10 2iobB1 GLU 229 HB3 -0.02 0.04 0.01 -0.04 1.99 1.97 2iobB1 GLU 229 HG2 -0.04 -0.00 -0.03 -0.04 2.34 2.22 2iobB1 GLU 229 HG3 -0.06 0.05 -0.05 -0.04 2.34 2.24 2iobB1 LYS 230 H -0.02 0.01 -0.32 -0.55 8.42 7.54 2iobB1 LYS 230 HA -0.01 0.13 0.42 -0.75 4.32 4.11 2iobB1 LYS 230 HB2 -0.01 -0.04 -0.00 -0.04 1.87 1.78 2iobB1 LYS 230 HB3 -0.01 0.05 -0.03 -0.04 1.79 1.76 2iobB1 LYS 230 HG2 -0.01 0.02 -0.04 -0.04 1.46 1.39 2iobB1 LYS 230 HG3 -0.01 -0.02 -0.01 -0.04 1.46 1.39 2iobB1 LYS 230 HD2 -0.00 0.01 -0.01 -0.04 1.69 1.64 2iobB1 LYS 230 HD3 -0.01 0.01 -0.02 -0.04 1.68 1.63 2iobB1 LYS 230 HE2 -0.00 0.00 0.02 -0.04 2.99 2.96 2iobB1 LYS 230 HE3 -0.00 0.00 -0.01 -0.04 2.99 2.94 2iobB1 ASP 231 H -0.01 0.19 -0.28 -0.55 8.40 7.75 2iobB1 ASP 231 HA -0.00 0.15 0.49 -0.75 4.63 4.51 2iobB1 ASP 231 HB2 -0.01 0.05 0.11 -0.04 2.71 2.83 2iobB1 ASP 231 HB3 -0.01 0.07 0.19 -0.04 2.70 2.91 2iobB1 PRO 232 HA 0.01 0.13 0.30 -0.51 4.44 4.37 2iobB1 PRO 232 HB2 0.01 0.01 0.01 -0.04 2.28 2.27 2iobB1 PRO 232 HB3 0.01 0.05 0.08 -0.04 2.02 2.12 2iobB1 PRO 232 HG2 0.00 0.05 0.09 -0.04 2.03 2.14 2iobB1 PRO 232 HG3 0.00 0.13 0.11 -0.04 2.03 2.24 2iobB1 PRO 232 HD2 0.00 0.03 0.19 -0.04 3.68 3.86 2iobB1 PRO 232 HD3 -0.00 0.22 0.33 -0.04 3.65 4.16 2iobB1 LEU 233 H 0.02 0.13 -0.29 -0.55 8.37 7.69 2iobB1 LEU 233 HA 0.08 0.09 0.38 -0.75 4.35 4.14 2iobB1 LEU 233 HB2 0.04 0.08 0.01 -0.04 1.64 1.73 2iobB1 LEU 233 HB3 0.04 -0.02 0.05 -0.04 1.64 1.66 2iobB1 LEU 233 HG 0.11 -0.03 -0.22 -0.04 1.64 1.46 2iobB1 LEU 233 HD13 0.21 -0.02 -0.04 -0.04 0.93 1.03 2iobB1 LEU 233 HD23 0.15 0.03 -0.05 -0.04 0.89 0.98 2iobB1 GLN 234 H 0.01 0.13 -0.11 -0.55 8.47 7.95 2iobB1 GLN 234 HA -0.02 0.04 0.44 -0.75 4.36 4.07 2iobB1 GLN 234 HB2 -0.03 0.23 0.10 -0.04 2.15 2.41 2iobB1 GLN 234 HB3 -0.08 -0.05 -0.11 -0.04 2.02 1.74 2iobB1 GLN 234 HG2 -0.10 0.00 -0.01 -0.04 2.40 2.25 2iobB1 GLN 234 HG3 -0.02 -0.05 0.02 -0.04 2.39 2.29 2iobB1 GLN 234 HE21 -0.01 0.06 0.06 -0.04 6.97 7.03 2iobB1 GLN 234 HE22 -0.01 -0.02 0.05 -0.04 7.69 7.67 2iobB1 ASN 235 H 0.00 0.62 -0.29 -0.55 8.53 8.32 2iobB1 ASN 235 HA -0.02 -0.00 0.46 -0.75 4.76 4.44 2iobB1 ASN 235 HB2 -0.01 0.42 0.16 -0.04 2.88 3.40 2iobB1 ASN 235 HB3 0.00 0.02 0.01 -0.04 2.79 2.78 2iobB1 ASN 235 HD21 -0.01 -0.01 -0.02 -0.04 7.03 6.94 2iobB1 ASN 235 HD22 -0.02 -0.08 0.07 -0.04 7.74 7.66 2iobB1 ALA 236 H 0.04 0.54 -0.21 -0.55 8.40 8.23 2iobB1 ALA 236 HA 0.04 0.03 0.43 -0.75 4.34 4.09 2iobB1 ALA 236 HB3 0.11 0.03 0.09 -0.04 1.41 1.59 2iobB1 TYR 237 H 0.09 0.46 -0.26 -0.55 8.29 8.03 2iobB1 TYR 237 HA -0.40 -0.01 0.44 -0.75 4.56 3.84 2iobB1 TYR 237 HB2 -0.42 -0.06 0.07 -0.04 3.06 2.62 2iobB1 TYR 237 HB3 -0.22 0.12 0.15 -0.04 2.98 2.98 2iobB1 TYR 237 HD2 -0.93 -0.02 -0.12 -0.04 7.15 6.04 2iobB1 TYR 237 HE2 -0.21 0.03 -0.01 -0.04 6.85 6.63 2iobB1 VAL 238 H 0.01 0.56 -0.18 -0.55 8.24 8.08 2iobB1 VAL 238 HA -0.14 0.16 0.43 -0.75 4.13 3.82 2iobB1 VAL 238 HB -0.04 0.07 0.14 -0.04 2.12 2.25 2iobB1 VAL 238 HG13 -0.06 -0.04 -0.14 -0.04 0.97 0.69 2iobB1 VAL 238 HG23 -0.08 0.05 -0.14 -0.04 0.95 0.73 2iobB1 GLN 239 H -0.04 0.62 -0.22 -0.55 8.47 8.28 2iobB1 GLN 239 HA -0.04 -0.00 0.29 -0.75 4.36 3.86 2iobB1 GLN 239 HB2 -0.00 0.13 0.17 -0.04 2.15 2.41 2iobB1 GLN 239 HB3 -0.01 -0.08 0.04 -0.04 2.02 1.93 2iobB1 GLN 239 HG2 -0.01 0.12 0.04 -0.04 2.40 2.50 2iobB1 GLN 239 HG3 -0.00 -0.06 -0.00 -0.04 2.39 2.28 2iobB1 GLN 239 HE21 -0.01 -0.02 -0.02 -0.04 6.97 6.87 2iobB1 GLN 239 HE22 -0.02 -0.00 -0.05 -0.04 7.69 7.58 2iobB1 ALA 240 H -0.13 0.36 -0.47 -0.55 8.40 7.62 2iobB1 ALA 240 HA -0.04 0.11 0.78 -0.75 4.34 4.44 2iobB1 ALA 240 HB3 0.05 -0.01 -0.01 -0.04 1.41 1.40 2iobB1 ASN 241 H -0.26 0.18 -0.05 -0.55 8.53 7.84 2iobB1 ASN 241 HA -0.12 0.14 0.98 -0.75 4.76 5.01 2iobB1 ASN 241 HB2 -0.78 0.12 0.04 -0.04 2.88 2.22 2iobB1 ASN 241 HB3 -0.19 -0.01 0.01 -0.04 2.79 2.55 2iobB1 ASN 241 HD21 -0.29 -0.14 -0.06 -0.04 7.03 6.51 2iobB1 ASN 241 HD22 -1.64 0.18 0.01 -0.04 7.74 6.25 2iobB1 GLY 242 H -0.15 0.47 0.33 -0.55 8.43 8.53 2iobB1 GLY 242 HA2 -0.04 0.03 0.37 -0.51 4.01 3.85 2iobB1 GLY 242 HA3 -0.01 0.14 0.63 -0.51 4.01 4.25 2iobB1 GLN 243 H 0.02 0.16 0.08 -0.55 8.47 8.18 2iobB1 GLN 243 HA -0.23 0.03 0.45 -0.75 4.36 3.86 2iobB1 GLN 243 HB2 0.11 0.05 0.20 -0.04 2.15 2.47 2iobB1 GLN 243 HB3 0.00 0.03 0.26 -0.04 2.02 2.27 2iobB1 GLN 243 HG2 -0.05 -0.05 0.05 -0.04 2.40 2.31 2iobB1 GLN 243 HG3 -0.00 0.05 0.04 -0.04 2.39 2.44 2iobB1 GLN 243 HE21 -0.16 0.17 -0.02 -0.04 6.97 6.92 2iobB1 GLN 243 HE22 -0.09 0.00 -0.02 -0.04 7.69 7.55 2iobB1 VAL 244 H 0.12 0.69 -0.39 -0.55 8.24 8.12 2iobB1 VAL 244 HA 0.41 0.14 0.93 -0.75 4.13 4.87 2iobB1 VAL 244 HB 0.09 0.18 -0.15 -0.04 2.12 2.19 2iobB1 VAL 244 HG13 0.11 0.03 -0.29 -0.04 0.97 0.78 2iobB1 VAL 244 HG23 0.12 -0.04 -0.28 -0.04 0.95 0.71 2iobB1 ILE 245 H 0.29 0.11 0.13 -0.55 8.25 8.23 2iobB1 ILE 245 HA 0.24 0.15 0.84 -0.75 4.18 4.66 2iobB1 ILE 245 HB 0.44 -0.00 -0.06 -0.04 1.89 2.22 2iobB1 ILE 245 HG12 -0.07 -0.05 -0.12 -0.04 1.49 1.21 2iobB1 ILE 245 HG13 -0.07 0.12 -0.24 -0.04 1.21 0.97 2iobB1 ILE 245 HG23 -0.09 0.02 0.05 -0.04 0.93 0.87 2iobB1 ILE 245 HD13 0.05 -0.03 0.03 -0.04 0.88 0.89 2iobB1 ASN 246 H 0.03 0.10 0.18 -0.55 8.53 8.30 2iobB1 ASN 246 HA 0.04 0.22 0.80 -0.75 4.76 5.06 2iobB1 ASN 246 HB2 0.02 -0.09 0.12 -0.04 2.88 2.89 2iobB1 ASN 246 HB3 -0.04 0.28 -0.01 -0.04 2.79 2.98 2iobB1 ASN 246 HD21 -0.02 0.38 -0.05 -0.04 7.03 7.30 2iobB1 ASN 246 HD22 0.03 -0.03 -0.01 -0.04 7.74 7.68 2iobB1 GLN 247 H 0.03 0.15 0.11 -0.55 8.47 8.21 2iobB1 GLN 247 HA 0.04 0.13 0.42 -0.75 4.36 4.19 2iobB1 GLN 247 HB2 0.02 -0.02 0.11 -0.04 2.15 2.22 2iobB1 GLN 247 HB3 0.03 0.03 -0.04 -0.04 2.02 2.00 2iobB1 GLN 247 HG2 0.03 0.02 0.05 -0.04 2.40 2.46 2iobB1 GLN 247 HG3 0.03 0.01 0.03 -0.04 2.39 2.43 2iobB1 GLN 247 HE21 0.03 -0.03 0.03 -0.04 6.97 6.95 2iobB1 GLN 247 HE22 0.03 0.03 0.02 -0.04 7.69 7.72 2iobB1 ASP 248 H 0.02 0.11 -0.29 -0.55 8.40 7.69 2iobB1 ASP 248 HA 0.07 0.22 0.76 -0.75 4.63 4.93 2iobB1 ASP 248 HB2 0.06 0.11 -0.11 -0.04 2.71 2.72 2iobB1 ASP 248 HB3 0.05 -0.01 0.10 -0.04 2.70 2.81 2iobB1 PRO 249 HA -0.16 0.13 0.42 -0.51 4.44 4.31 2iobB1 PRO 249 HB2 -2.20 0.04 0.00 -0.04 2.28 0.09 2iobB1 PRO 249 HB3 -0.76 -0.01 0.11 -0.04 2.02 1.32 2iobB1 PRO 249 HG2 -0.53 -0.03 0.02 -0.04 2.03 1.45 2iobB1 PRO 249 HG3 -0.35 0.15 0.06 -0.04 2.03 1.85 2iobB1 PRO 249 HD2 0.01 0.14 0.14 -0.04 3.68 3.94 2iobB1 PRO 249 HD3 -0.07 0.26 -0.04 -0.04 3.65 3.76 2iobB1 TYR 250 H 0.09 0.05 -0.47 -0.55 8.29 7.40 2iobB1 TYR 250 HA 0.20 0.13 0.53 -0.75 4.56 4.66 2iobB1 TYR 250 HB2 0.09 0.02 -0.02 -0.04 3.06 3.11 2iobB1 TYR 250 HB3 0.12 0.05 0.07 -0.04 2.98 3.18 2iobB1 TYR 250 HD2 0.09 0.07 -0.11 -0.04 7.15 7.16 2iobB1 TYR 250 HE2 0.08 -0.02 -0.02 -0.04 6.85 6.86 2iobB1 HIS 251 H 0.21 0.50 -0.12 -0.55 8.41 8.45 2iobB1 HIS 251 HA 0.07 0.24 1.12 -0.75 4.63 5.32 2iobB1 HIS 251 HB2 -0.01 -0.09 0.09 -0.04 3.26 3.22 2iobB1 HIS 251 HB3 -0.03 0.03 0.14 -0.04 3.20 3.30 2iobB1 HIS 251 HD2 -0.31 -0.08 -0.27 -0.04 6.97 6.27 2iobB1 HIS 251 HE1 -0.34 -0.10 0.06 -0.04 7.75 7.33 2iobB1 TYR 252 H -0.86 0.56 0.25 -0.55 8.29 7.69 2iobB1 TYR 252 HA -0.32 0.13 0.61 -0.75 4.56 4.23 2iobB1 TYR 252 HB2 -0.37 0.03 -0.08 -0.04 3.06 2.60 2iobB1 TYR 252 HB3 -0.08 0.08 -0.37 -0.04 2.98 2.57 2iobB1 TYR 252 HD2 0.04 0.11 -0.41 -0.04 7.15 6.85 2iobB1 TYR 252 HE2 0.06 0.01 -0.39 -0.04 6.85 6.48 2iobB1 TYR 253 H 0.08 0.67 0.25 -0.55 8.29 8.74 2iobB1 TYR 253 HA -0.27 0.27 1.06 -0.75 4.56 4.85 2iobB1 TYR 253 HB2 -0.08 0.01 -0.00 -0.04 3.06 2.94 2iobB1 TYR 253 HB3 -0.07 0.03 -0.01 -0.04 2.98 2.88 2iobB1 TYR 253 HD2 -0.03 0.08 -0.36 -0.04 7.15 6.79 2iobB1 TYR 253 HE2 0.09 -0.06 -0.19 -0.04 6.85 6.65 2iobB1 THR 254 H 0.02 0.63 0.31 -0.55 8.28 8.70 2iobB1 THR 254 HA 0.02 0.27 1.11 -0.75 4.39 5.03 2iobB1 THR 254 HB 0.01 0.02 0.09 -0.04 4.32 4.40 2iobB1 THR 254 HG23 0.03 -0.02 -0.24 -0.04 1.22 0.95 2iobB1 ILE 255 H -0.04 0.37 0.36 -0.55 8.25 8.39 2iobB1 ILE 255 HA -0.00 0.32 0.87 -0.75 4.18 4.61 2iobB1 ILE 255 HB -0.02 -0.01 0.08 -0.04 1.89 1.90 2iobB1 ILE 255 HG12 -0.06 -0.03 -0.10 -0.04 1.49 1.27 2iobB1 ILE 255 HG13 -0.05 -0.02 -0.25 -0.04 1.21 0.86 2iobB1 ILE 255 HG23 -0.03 0.02 -0.20 -0.04 0.93 0.68 2iobB1 ILE 255 HD13 -0.03 -0.01 -0.16 -0.04 0.88 0.63 2iobB1 THR 256 H 0.01 0.30 0.20 -0.55 8.28 8.24 2iobB1 THR 256 HA 0.03 0.37 0.85 -0.75 4.39 4.89 2iobB1 THR 256 HB 0.05 -0.12 0.26 -0.04 4.32 4.47 2iobB1 THR 256 HG23 0.03 0.05 0.09 -0.04 1.22 1.35 2iobB1 GLU 257 H 0.07 0.36 0.25 -0.55 8.60 8.74 2iobB1 GLU 257 HA 0.11 0.10 0.42 -0.75 4.29 4.16 2iobB1 GLU 257 HB2 0.13 -0.03 0.10 -0.04 2.09 2.25 2iobB1 GLU 257 HB3 0.16 0.04 -0.02 -0.04 1.99 2.13 2iobB1 GLU 257 HG2 0.30 0.03 -0.10 -0.04 2.34 2.53 2iobB1 GLU 257 HG3 0.15 0.00 -0.39 -0.04 2.34 2.07 2iobB1 SER 258 H 0.08 0.09 -0.16 -0.55 8.46 7.93 2iobB1 SER 258 HA 0.11 0.09 0.38 -0.75 4.49 4.32 2iobB1 SER 258 HB2 0.07 0.03 -0.00 -0.04 3.95 4.01 2iobB1 SER 258 HB3 0.10 0.06 -0.02 -0.04 3.93 4.03 2iobB1 ALA 259 H 0.03 0.09 -0.27 -0.55 8.40 7.71 2iobB1 ALA 259 HA 0.01 0.09 0.42 -0.75 4.34 4.10 2iobB1 ALA 259 HB3 -0.01 0.13 0.11 -0.04 1.41 1.60 2iobB1 GLU 260 H 0.01 0.46 -0.23 -0.55 8.60 8.29 2iobB1 GLU 260 HA -0.04 0.04 0.25 -0.75 4.29 3.78 2iobB1 GLU 260 HB2 0.04 0.02 0.05 -0.04 2.09 2.15 2iobB1 GLU 260 HB3 0.07 0.10 0.00 -0.04 1.99 2.13 2iobB1 GLU 260 HG2 -0.04 -0.05 -0.01 -0.04 2.34 2.20 2iobB1 GLU 260 HG3 0.10 -0.02 -0.03 -0.04 2.34 2.35 2iobB1 GLN 261 H 0.01 0.43 -0.23 -0.55 8.47 8.13 2iobB1 GLN 261 HA -0.10 0.00 0.47 -0.75 4.36 3.98 2iobB1 GLN 261 HB2 0.02 0.11 0.13 -0.04 2.15 2.36 2iobB1 GLN 261 HB3 -0.07 -0.02 0.00 -0.04 2.02 1.90 2iobB1 GLN 261 HG2 -0.06 -0.09 0.03 -0.04 2.40 2.24 2iobB1 GLN 261 HG3 0.02 0.09 0.05 -0.04 2.39 2.51 2iobB1 GLN 261 HE21 0.22 -0.03 -0.11 -0.04 6.97 7.01 2iobB1 GLN 261 HE22 0.10 0.01 -0.08 -0.04 7.69 7.68 2iobB1 GLU 262 H -0.02 0.46 -0.31 -0.55 8.60 8.18 2iobB1 GLU 262 HA 0.01 0.04 0.43 -0.75 4.29 4.01 2iobB1 GLU 262 HB2 0.03 0.02 0.10 -0.04 2.09 2.20 2iobB1 GLU 262 HB3 -0.03 0.18 0.13 -0.04 1.99 2.22 2iobB1 GLU 262 HG2 0.07 -0.00 -0.05 -0.04 2.34 2.32 2iobB1 GLU 262 HG3 0.04 -0.03 -0.10 -0.04 2.34 2.20 2iobB1 LEU 263 H -0.13 0.53 -0.12 -0.55 8.37 8.11 2iobB1 LEU 263 HA -0.34 0.03 0.28 -0.75 4.35 3.55 2iobB1 LEU 263 HB2 -0.13 0.05 0.06 -0.04 1.64 1.58 2iobB1 LEU 263 HB3 -0.14 -0.04 -0.10 -0.04 1.64 1.32 2iobB1 LEU 263 HG -0.22 0.06 -0.08 -0.04 1.64 1.36 2iobB1 LEU 263 HD13 -0.10 -0.03 -0.21 -0.04 0.93 0.55 2iobB1 LEU 263 HD23 -0.58 -0.00 -0.15 -0.04 0.89 0.11 2iobB1 ILE 264 H -0.25 0.51 -0.32 -0.55 8.25 7.64 2iobB1 ILE 264 HA -0.47 -0.01 0.36 -0.75 4.18 3.30 2iobB1 ILE 264 HB -0.26 0.10 0.15 -0.04 1.89 1.83 2iobB1 ILE 264 HG12 -2.10 -0.05 -0.03 -0.04 1.49 -0.74 2iobB1 ILE 264 HG13 -0.70 0.18 0.03 -0.04 1.21 0.68 2iobB1 ILE 264 HG23 -0.21 -0.02 -0.12 -0.04 0.93 0.54 2iobB1 ILE 264 HD13 -0.24 -0.03 -0.07 -0.04 0.88 0.50 2iobB1 LYS 265 H -0.08 0.49 -0.15 -0.55 8.42 8.12 2iobB1 LYS 265 HA 0.06 -0.01 0.42 -0.75 4.32 4.04 2iobB1 LYS 265 HB2 0.08 0.08 0.14 -0.04 1.87 2.12 2iobB1 LYS 265 HB3 0.14 -0.02 -0.00 -0.04 1.79 1.87 2iobB1 LYS 265 HG2 -0.00 -0.07 -0.04 -0.04 1.46 1.30 2iobB1 LYS 265 HG3 -0.04 0.21 0.08 -0.04 1.46 1.67 2iobB1 LYS 265 HD2 0.03 0.04 -0.08 -0.04 1.69 1.63 2iobB1 LYS 265 HD3 -0.04 -0.05 -0.08 -0.04 1.68 1.47 2iobB1 LYS 265 HE2 -0.00 0.00 -0.23 -0.04 2.99 2.72 2iobB1 LYS 265 HE3 0.07 0.02 -0.04 -0.04 2.99 3.00 2iobB1 ALA 266 H -0.11 0.69 -0.09 -0.55 8.40 8.34 2iobB1 ALA 266 HA -0.13 -0.00 0.33 -0.75 4.34 3.78 2iobB1 ALA 266 HB3 -0.81 0.01 0.00 -0.04 1.41 0.57 2iobB1 THR 267 H -0.04 0.50 -0.40 -0.55 8.28 7.79 2iobB1 THR 267 HA 0.09 0.01 0.25 -0.75 4.39 3.98 2iobB1 THR 267 HB 0.17 0.05 0.09 -0.04 4.32 4.59 2iobB1 THR 267 HG23 0.12 0.00 -0.34 -0.04 1.22 0.96 2iobB1 ASN 268 H 0.10 0.42 -0.09 -0.55 8.53 8.41 2iobB1 ASN 268 HA 0.16 0.19 0.49 -0.75 4.76 4.84 2iobB1 ASN 268 HB2 0.15 0.14 0.21 -0.04 2.88 3.34 2iobB1 ASN 268 HB3 0.25 -0.03 -0.01 -0.04 2.79 2.96 2iobB1 ASN 268 HD21 0.09 -0.01 0.04 -0.04 7.03 7.10 2iobB1 ASN 268 HD22 0.16 0.05 0.02 -0.04 7.74 7.93 2iobB1 GLU 269 H 0.19 0.58 -0.12 -0.55 8.60 8.70 2iobB1 GLU 269 HA -0.01 0.05 0.36 -0.75 4.29 3.93 2iobB1 GLU 269 HB2 0.38 0.03 0.06 -0.04 2.09 2.53 2iobB1 GLU 269 HB3 0.19 0.03 0.03 -0.04 1.99 2.20 2iobB1 GLU 269 HG2 -0.27 -0.02 -0.13 -0.04 2.34 1.89 2iobB1 GLU 269 HG3 -0.77 -0.01 -0.02 -0.04 2.34 1.50 2iobB1 LEU 270 H 0.04 0.69 -0.15 -0.55 8.37 8.41 2iobB1 LEU 270 HA -0.09 -0.02 0.40 -0.75 4.35 3.89 2iobB1 LEU 270 HB2 -0.00 0.15 0.09 -0.04 1.64 1.84 2iobB1 LEU 270 HB3 0.02 -0.09 -0.06 -0.04 1.64 1.48 2iobB1 LEU 270 HG 0.02 0.05 0.04 -0.04 1.64 1.71 2iobB1 LEU 270 HD13 0.08 -0.02 -0.13 -0.04 0.93 0.81 2iobB1 LEU 270 HD23 -0.03 -0.02 -0.08 -0.04 0.89 0.72 2iobB1 HIS 271 H 0.13 0.46 -0.42 -0.55 8.41 8.04 2iobB1 HIS 271 HA 0.05 -0.06 0.24 -0.75 4.63 4.10 2iobB1 HIS 271 HB2 0.03 -0.01 0.03 -0.04 3.26 3.27 2iobB1 HIS 271 HB3 0.11 0.21 0.18 -0.04 3.20 3.65 2iobB1 HIS 271 HD2 0.18 0.06 -0.14 -0.04 6.97 7.02 2iobB1 HIS 271 HE1 0.45 -0.04 -0.12 -0.04 7.75 7.99 2iobB1 LEU 272 H 0.15 0.42 -0.13 -0.55 8.37 8.26 2iobB1 LEU 272 HA 0.07 0.03 0.40 -0.75 4.35 4.09 2iobB1 LEU 272 HB2 -0.04 0.07 0.09 -0.04 1.64 1.72 2iobB1 LEU 272 HB3 0.16 0.07 0.03 -0.04 1.64 1.86 2iobB1 LEU 272 HG 0.22 0.16 0.08 -0.04 1.64 2.06 2iobB1 LEU 272 HD13 0.17 -0.03 -0.11 -0.04 0.93 0.93 2iobB1 LEU 272 HD23 0.24 0.01 -0.04 -0.04 0.89 1.05 2iobB1 MET 273 H -0.10 0.52 -0.20 -0.55 8.47 8.14 2iobB1 MET 273 HA -0.11 0.02 0.43 -0.75 4.52 4.11 2iobB1 MET 273 HB2 -0.33 0.03 0.14 -0.04 2.15 1.95 2iobB1 MET 273 HB3 -0.75 -0.04 -0.01 -0.04 2.03 1.19 2iobB1 MET 273 HG2 -2.02 -0.00 -0.02 -0.04 2.63 0.55 2iobB1 MET 273 HG3 -0.57 0.10 -0.00 -0.04 2.56 2.05 2iobB1 MET 273 HE3 -0.85 -0.00 -0.06 -0.04 2.10 1.14 2iobB1 TYR 274 H 0.20 0.76 -0.07 -0.55 8.29 8.63 2iobB1 TYR 274 HA 0.08 -0.05 0.42 -0.75 4.56 4.26 2iobB1 TYR 274 HB2 0.13 0.21 0.14 -0.04 3.06 3.49 2iobB1 TYR 274 HB3 0.21 -0.08 -0.06 -0.04 2.98 3.02 2iobB1 TYR 274 HD2 0.06 0.09 -0.01 -0.04 7.15 7.25 2iobB1 TYR 274 HE2 0.03 0.12 -0.06 -0.04 6.85 6.90 2iobB1 LEU 275 H 0.06 0.55 -0.20 -0.55 8.37 8.23 2iobB1 LEU 275 HA 0.15 -0.04 0.41 -0.75 4.35 4.12 2iobB1 LEU 275 HB2 -0.10 0.17 0.14 -0.04 1.64 1.82 2iobB1 LEU 275 HB3 0.06 -0.03 0.01 -0.04 1.64 1.63 2iobB1 LEU 275 HG -0.27 0.19 -0.03 -0.04 1.64 1.48 2iobB1 LEU 275 HD13 0.03 0.00 -0.07 -0.04 0.93 0.85 2iobB1 LEU 275 HD23 0.07 -0.03 -0.04 -0.04 0.89 0.85 2iobB1 HIS 276 H 0.08 0.61 -0.11 -0.55 8.41 8.44 2iobB1 HIS 276 HA 0.11 0.02 0.49 -0.75 4.63 4.50 2iobB1 HIS 276 HB2 0.30 0.13 0.18 -0.04 3.26 3.83 2iobB1 HIS 276 HB3 0.11 -0.08 0.04 -0.04 3.20 3.23 2iobB1 HIS 276 HD2 0.09 0.15 -0.15 -0.04 6.97 7.02 2iobB1 HIS 276 HE1 0.06 -0.10 -0.09 -0.04 7.75 7.58 2iobB1 ALA 277 H 0.13 0.55 -0.11 -0.55 8.40 8.42 2iobB1 ALA 277 HA 0.02 0.02 0.39 -0.75 4.34 4.02 2iobB1 ALA 277 HB3 0.00 0.01 0.02 -0.04 1.41 1.40 2iobB1 THR 278 H -0.11 0.66 -0.19 -0.55 8.28 8.09 2iobB1 THR 278 HA -0.38 -0.05 0.36 -0.75 4.39 3.56 2iobB1 THR 278 HB -0.72 0.22 0.17 -0.04 4.32 3.94 2iobB1 THR 278 HG23 -1.34 -0.04 -0.09 -0.04 1.22 -0.29 2iobB1 ASP 279 H -0.23 0.55 -0.26 -0.55 8.40 7.92 2iobB1 ASP 279 HA -0.42 -0.02 0.40 -0.75 4.63 3.84 2iobB1 ASP 279 HB2 0.43 0.10 0.11 -0.04 2.71 3.31 2iobB1 ASP 279 HB3 0.08 0.13 0.16 -0.04 2.70 3.02 2iobB1 LYS 280 H -0.08 0.51 -0.16 -0.55 8.42 8.13 2iobB1 LYS 280 HA -0.06 -0.01 0.32 -0.75 4.32 3.82 2iobB1 LYS 280 HB2 -0.03 0.08 0.10 -0.04 1.87 1.98 2iobB1 LYS 280 HB3 -0.04 0.08 0.11 -0.04 1.79 1.89 2iobB1 LYS 280 HG2 -0.03 -0.06 -0.11 -0.04 1.46 1.22 2iobB1 LYS 280 HG3 -0.03 -0.03 0.02 -0.04 1.46 1.38 2iobB1 LYS 280 HD2 -0.04 0.05 -0.03 -0.04 1.69 1.64 2iobB1 LYS 280 HD3 0.00 -0.03 -0.04 -0.04 1.68 1.58 2iobB1 LYS 280 HE2 0.01 -0.06 -0.04 -0.04 2.99 2.86 2iobB1 LYS 280 HE3 -0.02 -0.01 -0.03 -0.04 2.99 2.89 2iobB1 VAL 281 H -0.20 0.64 -0.14 -0.55 8.24 8.00 2iobB1 VAL 281 HA -0.13 -0.06 0.41 -0.75 4.13 3.59 2iobB1 VAL 281 HB -0.47 0.12 0.15 -0.04 2.12 1.88 2iobB1 VAL 281 HG13 -0.76 -0.03 -0.26 -0.04 0.97 -0.12 2iobB1 VAL 281 HG23 -0.06 0.03 -0.03 -0.04 0.95 0.85 2iobB1 LEU 282 H -0.45 0.66 -0.10 -0.55 8.37 7.94 2iobB1 LEU 282 HA -0.41 -0.06 0.22 -0.75 4.35 3.36 2iobB1 LEU 282 HB2 -0.48 0.13 0.09 -0.04 1.64 1.34 2iobB1 LEU 282 HB3 -0.30 -0.09 0.09 -0.04 1.64 1.30 2iobB1 LEU 282 HG -0.73 0.25 0.10 -0.04 1.64 1.22 2iobB1 LEU 282 HD13 -0.96 -0.02 -0.04 -0.04 0.93 -0.14 2iobB1 LEU 282 HD23 -0.45 -0.04 -0.07 -0.04 0.89 0.28 2iobB1 LYS 283 H -0.17 0.42 -0.57 -0.55 8.42 7.55 2iobB1 LYS 283 HA -0.08 0.11 0.73 -0.75 4.32 4.32 2iobB1 LYS 283 HB2 -0.07 0.18 0.11 -0.04 1.87 2.04 2iobB1 LYS 283 HB3 -0.04 -0.11 0.13 -0.04 1.79 1.73 2iobB1 LYS 283 HG2 -0.02 -0.05 0.00 -0.04 1.46 1.35 2iobB1 LYS 283 HG3 -0.03 0.06 -0.10 -0.04 1.46 1.35 2iobB1 LYS 283 HD2 0.01 0.04 -0.07 -0.04 1.69 1.63 2iobB1 LYS 283 HD3 -0.00 -0.06 0.00 -0.04 1.68 1.57 2iobB1 LYS 283 HE2 0.03 -0.02 -0.02 -0.04 2.99 2.94 2iobB1 LYS 283 HE3 0.02 -0.05 -0.01 -0.04 2.99 2.91 2iobB1 ASP 284 H -0.17 0.58 -0.22 -0.55 8.40 8.05 2iobB1 ASP 284 HA -0.06 0.05 0.88 -0.75 4.63 4.75 2iobB1 ASP 284 HB2 -0.05 0.12 -0.20 -0.04 2.71 2.54 2iobB1 ASP 284 HB3 -0.07 0.11 0.19 -0.04 2.70 2.88 2iobB1 ASP 285 H -0.03 0.23 0.14 -0.55 8.40 8.19 2iobB1 ASP 285 HA -0.25 0.09 0.36 -0.75 4.63 4.08 2iobB1 ASP 285 HB2 0.09 -0.01 0.10 -0.04 2.71 2.85 2iobB1 ASP 285 HB3 0.29 0.01 0.04 -0.04 2.70 3.00 2iobB1 ASN 286 H -0.01 0.07 -0.25 -0.55 8.53 7.80 2iobB1 ASN 286 HA 0.04 0.10 0.44 -0.75 4.76 4.58 2iobB1 ASN 286 HB2 -0.01 0.01 0.02 -0.04 2.88 2.86 2iobB1 ASN 286 HB3 -0.02 0.05 0.02 -0.04 2.79 2.80 2iobB1 ASN 286 HD21 0.01 0.01 0.01 -0.04 7.03 7.02 2iobB1 ASN 286 HD22 -0.00 0.03 0.02 -0.04 7.74 7.74 2iobB1 LEU 287 H -0.04 0.21 -0.21 -0.55 8.37 7.78 2iobB1 LEU 287 HA 0.02 0.10 0.59 -0.75 4.35 4.30 2iobB1 LEU 287 HB2 -0.05 0.23 0.23 -0.04 1.64 2.01 2iobB1 LEU 287 HB3 0.11 -0.02 0.03 -0.04 1.64 1.71 2iobB1 LEU 287 HG -0.01 -0.11 0.03 -0.04 1.64 1.51 2iobB1 LEU 287 HD13 0.01 0.06 -0.09 -0.04 0.93 0.87 2iobB1 LEU 287 HD23 0.07 -0.00 -0.05 -0.04 0.89 0.86 2iobB1 LEU 288 H -0.18 0.67 0.11 -0.55 8.37 8.42 2iobB1 LEU 288 HA -0.23 0.01 0.27 -0.75 4.35 3.64 2iobB1 LEU 288 HB2 -0.58 0.17 -0.03 -0.04 1.64 1.16 2iobB1 LEU 288 HB3 -0.85 -0.03 0.06 -0.04 1.64 0.77 2iobB1 LEU 288 HG -1.58 -0.04 -0.19 -0.04 1.64 -0.21 2iobB1 LEU 288 HD13 -0.57 -0.02 -0.06 -0.04 0.93 0.25 2iobB1 LEU 288 HD23 -1.46 0.00 -0.06 -0.04 0.89 -0.68 2iobB1 ALA 289 H 0.03 0.50 -0.38 -0.55 8.40 8.00 2iobB1 ALA 289 HA 0.50 -0.05 0.31 -0.75 4.34 4.35 2iobB1 ALA 289 HB3 0.22 0.03 0.08 -0.04 1.41 1.71 2iobB1 LEU 290 H 0.15 0.59 -0.53 -0.55 8.37 8.03 2iobB1 LEU 290 HA 0.00 0.06 0.50 -0.75 4.35 4.15 2iobB1 LEU 290 HB2 -0.06 0.12 0.06 -0.04 1.64 1.72 2iobB1 LEU 290 HB3 -0.15 -0.09 0.10 -0.04 1.64 1.46 2iobB1 LEU 290 HG -0.05 0.16 0.13 -0.04 1.64 1.84 2iobB1 LEU 290 HD13 -0.32 -0.03 0.05 -0.04 0.93 0.60 2iobB1 LEU 290 HD23 -0.14 -0.02 0.01 -0.04 0.89 0.69 2iobB1 PHE 291 H 0.41 0.68 -0.17 -0.55 8.34 8.71 2iobB1 PHE 291 HA 0.05 0.09 0.57 -0.75 4.62 4.57 2iobB1 PHE 291 HB2 -0.03 0.13 0.06 -0.04 3.15 3.26 2iobB1 PHE 291 HB3 0.02 -0.07 0.05 -0.04 3.06 3.03 2iobB1 PHE 291 HD2 -0.02 0.09 0.03 -0.04 7.28 7.34 2iobB1 PHE 291 HE2 0.01 0.12 -0.09 -0.04 7.38 7.38 2iobB1 PHE 291 HZ 0.02 0.00 -0.27 -0.04 7.32 7.03 2iobB1 ASP 292 H 0.17 0.30 -0.34 -0.55 8.40 7.99 2iobB1 ASP 292 HA 0.12 0.03 0.23 -0.75 4.63 4.26 2iobB1 ASP 292 HB2 0.07 0.07 -0.25 -0.04 2.71 2.56 2iobB1 ASP 292 HB3 0.11 0.11 -0.03 -0.04 2.70 2.85 2iobB1 ILE 293 H 0.26 0.14 -0.22 -0.55 8.25 7.89 2iobB1 ILE 293 HA -0.03 0.17 0.79 -0.75 4.18 4.36 2iobB1 ILE 293 HB 0.25 -0.03 -0.08 -0.04 1.89 1.99 2iobB1 ILE 293 HG12 0.16 -0.03 -0.15 -0.04 1.49 1.43 2iobB1 ILE 293 HG13 0.20 0.15 -0.46 -0.04 1.21 1.06 2iobB1 ILE 293 HG23 -0.41 0.00 -0.19 -0.04 0.93 0.30 2iobB1 ILE 293 HD13 -0.03 -0.00 -0.13 -0.04 0.88 0.68 2iobB1 PRO 294 HA -0.13 0.04 0.42 -0.51 4.44 4.27 2iobB1 PRO 294 HB2 -0.17 -0.10 0.06 -0.04 2.28 2.04 2iobB1 PRO 294 HB3 -0.11 0.16 0.07 -0.04 2.02 2.10 2iobB1 PRO 294 HG2 -0.06 0.05 0.02 -0.04 2.03 2.01 2iobB1 PRO 294 HG3 -0.03 0.08 0.03 -0.04 2.03 2.07 2iobB1 PRO 294 HD2 -0.56 0.03 0.16 -0.04 3.68 3.27 2iobB1 PRO 294 HD3 -0.03 0.30 0.14 -0.04 3.65 4.03 2iobB1 LYS 295 H -0.39 0.17 0.21 -0.55 8.42 7.86 2iobB1 LYS 295 HA -2.16 0.12 0.38 -0.75 4.32 1.91 2iobB1 LYS 295 HB2 -0.51 -0.07 0.16 -0.04 1.87 1.42 2iobB1 LYS 295 HB3 -0.76 0.03 0.00 -0.04 1.79 1.02 2iobB1 LYS 295 HG2 -2.53 0.03 0.08 -0.04 1.46 -1.00 2iobB1 LYS 295 HG3 -0.81 0.05 0.11 -0.04 1.46 0.78 2iobB1 LYS 295 HD2 -0.39 0.03 0.04 -0.04 1.69 1.32 2iobB1 LYS 295 HD3 -0.42 -0.07 0.03 -0.04 1.68 1.18 2iobB1 LYS 295 HE2 -0.68 0.03 0.02 -0.04 2.99 2.31 2iobB1 LYS 295 HE3 -0.25 -0.00 0.01 -0.04 2.99 2.71 2iobB1 ILE 296 H -0.25 0.11 -0.28 -0.55 8.25 7.29 2iobB1 ILE 296 HA -0.11 0.12 0.37 -0.75 4.18 3.81 2iobB1 ILE 296 HB -0.09 0.06 -0.12 -0.04 1.89 1.70 2iobB1 ILE 296 HG12 -0.07 -0.02 -0.29 -0.04 1.49 1.07 2iobB1 ILE 296 HG13 -0.04 -0.06 -0.19 -0.04 1.21 0.88 2iobB1 ILE 296 HG23 -0.11 -0.02 -0.13 -0.04 0.93 0.63 2iobB1 ILE 296 HD13 0.01 -0.00 -0.32 -0.04 0.88 0.53 2iobB1 LEU 297 H -0.12 0.53 -0.39 -0.55 8.37 7.85 2iobB1 LEU 297 HA -0.02 0.10 0.67 -0.75 4.35 4.35 2iobB1 LEU 297 HB2 -0.14 0.20 -0.05 -0.04 1.64 1.62 2iobB1 LEU 297 HB3 -0.13 -0.09 0.01 -0.04 1.64 1.38 2iobB1 LEU 297 HG -0.12 -0.03 -0.09 -0.04 1.64 1.36 2iobB1 LEU 297 HD13 -0.48 -0.00 -0.05 -0.04 0.93 0.35 2iobB1 LEU 297 HD23 0.00 0.00 -0.06 -0.04 0.89 0.80 2iobB1 TRP 298 H 0.16 0.45 -0.26 -0.55 7.97 7.78 2iobB1 TRP 298 HA -0.10 -0.03 0.33 -0.75 4.62 4.06 2iobB1 TRP 298 HB2 -0.05 0.22 0.15 -0.04 3.23 3.51 2iobB1 TRP 298 HB3 -0.05 -0.04 -0.02 -0.04 3.23 3.08 2iobB1 TRP 298 HD1 -0.14 -0.08 -0.21 -0.04 7.22 6.75 2iobB1 TRP 298 HE1 -0.08 0.17 -0.20 -0.04 10.20 10.05 2iobB1 TRP 298 HE3 -0.04 0.02 0.00 -0.04 7.59 7.54 2iobB1 TRP 298 HZ2 -0.01 0.02 -0.13 -0.04 7.44 7.28 2iobB1 TRP 298 HZ3 -0.02 -0.05 0.03 -0.04 7.13 7.04 2iobB1 TRP 298 HH2 -0.01 0.05 0.03 -0.04 7.19 7.21 2iobB1 PRO 299 HA 0.08 0.07 0.51 -0.51 4.44 4.58 2iobB1 PRO 299 HB2 0.05 0.04 0.04 -0.04 2.28 2.36 2iobB1 PRO 299 HB3 0.06 0.02 0.09 -0.04 2.02 2.15 2iobB1 PRO 299 HG2 0.05 0.12 0.08 -0.04 2.03 2.24 2iobB1 PRO 299 HG3 0.09 0.01 0.05 -0.04 2.03 2.13 2iobB1 PRO 299 HD2 0.07 0.25 -0.16 -0.04 3.68 3.79 2iobB1 PRO 299 HD3 0.15 0.18 0.05 -0.04 3.65 3.99 2iobB1 ARG 300 H 0.04 0.24 -0.21 -0.55 8.46 7.98 2iobB1 ARG 300 HA 0.04 0.08 0.54 -0.75 4.34 4.25 2iobB1 ARG 300 HB2 0.01 0.06 0.15 -0.04 1.90 2.08 2iobB1 ARG 300 HB3 0.01 -0.01 -0.00 -0.04 1.80 1.75 2iobB1 ARG 300 HG2 0.04 -0.03 0.02 -0.04 1.67 1.66 2iobB1 ARG 300 HG3 0.04 0.02 0.06 -0.04 1.67 1.75 2iobB1 ARG 300 HD2 0.06 0.03 0.03 -0.04 3.22 3.29 2iobB1 ARG 300 HD3 0.05 -0.03 0.04 -0.04 3.22 3.23 2iobB1 LEU 301 H 0.00 0.67 -0.05 -0.55 8.37 8.45 2iobB1 LEU 301 HA -0.05 -0.06 0.38 -0.75 4.35 3.86 2iobB1 LEU 301 HB2 -0.10 -0.02 -0.04 -0.04 1.64 1.44 2iobB1 LEU 301 HB3 -0.06 0.13 0.10 -0.04 1.64 1.76 2iobB1 LEU 301 HG -0.12 0.03 -0.29 -0.04 1.64 1.21 2iobB1 LEU 301 HD13 -0.07 -0.03 -0.15 -0.04 0.93 0.64 2iobB1 LEU 301 HD23 -0.27 0.00 -0.10 -0.04 0.89 0.48 2iobB1 ARG 302 H 0.01 0.62 -0.13 -0.55 8.46 8.41 2iobB1 ARG 302 HA 0.03 0.03 0.40 -0.75 4.34 4.04 2iobB1 ARG 302 HB2 0.02 0.11 0.18 -0.04 1.90 2.17 2iobB1 ARG 302 HB3 0.03 -0.02 -0.01 -0.04 1.80 1.75 2iobB1 ARG 302 HG2 -0.09 0.05 0.06 -0.04 1.67 1.65 2iobB1 ARG 302 HG3 -0.13 -0.06 0.05 -0.04 1.67 1.48 2iobB1 ARG 302 HD2 0.01 -0.04 -0.11 -0.04 3.22 3.04 2iobB1 ARG 302 HD3 -0.01 -0.04 -0.01 -0.04 3.22 3.13 2iobB1 LEU 303 H 0.05 0.46 -0.20 -0.55 8.37 8.13 2iobB1 LEU 303 HA 0.04 0.03 0.44 -0.75 4.35 4.10 2iobB1 LEU 303 HB2 0.05 0.09 0.29 -0.04 1.64 2.03 2iobB1 LEU 303 HB3 0.05 -0.01 -0.04 -0.04 1.64 1.59 2iobB1 LEU 303 HG 0.04 0.06 0.04 -0.04 1.64 1.74 2iobB1 LEU 303 HD13 0.04 -0.01 -0.00 -0.04 0.93 0.92 2iobB1 LEU 303 HD23 0.03 -0.02 0.04 -0.04 0.89 0.90 2iobB1 SER 304 H 0.09 0.58 -0.20 -0.55 8.46 8.38 2iobB1 SER 304 HA 0.13 0.05 0.41 -0.75 4.49 4.32 2iobB1 SER 304 HB2 0.09 0.07 0.16 -0.04 3.95 4.23 2iobB1 SER 304 HB3 0.16 0.18 0.21 -0.04 3.93 4.44 2iobB1 TRP 305 H 0.27 0.49 -0.16 -0.55 7.97 8.02 2iobB1 TRP 305 HA -0.51 -0.03 0.36 -0.75 4.62 3.70 2iobB1 TRP 305 HB2 -0.13 -0.06 0.09 -0.04 3.23 3.09 2iobB1 TRP 305 HB3 -0.15 0.15 0.15 -0.04 3.23 3.34 2iobB1 TRP 305 HD1 -0.19 0.03 -0.10 -0.04 7.22 6.92 2iobB1 TRP 305 HE1 -0.22 -0.00 -0.05 -0.04 10.20 9.89 2iobB1 TRP 305 HE3 -1.74 -0.09 -0.03 -0.04 7.59 5.69 2iobB1 TRP 305 HZ2 -0.32 0.07 -0.01 -0.04 7.44 7.14 2iobB1 TRP 305 HZ3 -1.98 -0.01 -0.02 -0.04 7.13 5.07 2iobB1 TRP 305 HH2 -0.48 -0.04 0.07 -0.04 7.19 6.71 2iobB1 GLN 306 H 0.04 0.51 -0.17 -0.55 8.47 8.29 2iobB1 GLN 306 HA -0.36 0.03 0.42 -0.75 4.36 3.70 2iobB1 GLN 306 HB2 -0.02 0.09 0.16 -0.04 2.15 2.35 2iobB1 GLN 306 HB3 -0.07 -0.06 0.02 -0.04 2.02 1.87 2iobB1 GLN 306 HG2 0.07 0.22 0.08 -0.04 2.40 2.73 2iobB1 GLN 306 HG3 0.01 -0.08 0.00 -0.04 2.39 2.29 2iobB1 GLN 306 HE21 0.11 -0.01 -0.03 -0.04 6.97 6.99 2iobB1 GLN 306 HE22 0.21 0.02 -0.02 -0.04 7.69 7.86 2iobB1 ARG 307 H -0.07 0.39 -0.16 -0.55 8.46 8.07 2iobB1 ARG 307 HA -0.14 0.31 1.28 -0.75 4.34 5.04 2iobB1 ARG 307 HB2 0.02 -0.04 0.16 -0.04 1.90 2.00 2iobB1 ARG 307 HB3 -0.01 -0.03 0.03 -0.04 1.80 1.74 2iobB1 ARG 307 HG2 0.01 0.21 0.17 -0.04 1.67 2.02 2iobB1 ARG 307 HG3 0.06 -0.06 -0.03 -0.04 1.67 1.60 2iobB1 ARG 307 HD2 0.01 -0.05 -0.00 -0.04 3.22 3.14 2iobB1 ARG 307 HD3 0.04 -0.02 -0.05 -0.04 3.22 3.15 2iobB1 ARG 308 H -0.19 0.47 -0.03 -0.55 8.46 8.15 2iobB1 ARG 308 HA -0.93 0.23 1.07 -0.75 4.34 3.96 2iobB1 ARG 308 HB2 0.27 0.01 0.09 -0.04 1.90 2.23 2iobB1 ARG 308 HB3 0.12 -0.08 0.17 -0.04 1.80 1.97 2iobB1 ARG 308 HG2 0.12 0.13 -0.25 -0.04 1.67 1.63 2iobB1 ARG 308 HG3 0.08 -0.00 -0.13 -0.04 1.67 1.57 2iobB1 ARG 308 HD2 0.15 0.03 0.00 -0.04 3.22 3.36 2iobB1 ARG 308 HD3 0.15 -0.13 0.06 -0.04 3.22 3.26 2iobB1 ARG 309 H -0.55 0.32 -0.07 -0.55 8.46 7.61 2iobB1 ARG 309 HA -0.99 -0.02 0.42 -0.75 4.34 3.00 2iobB1 ARG 309 HB2 -1.68 0.18 0.16 -0.04 1.90 0.51 2iobB1 ARG 309 HB3 -0.88 0.03 0.05 -0.04 1.80 0.96 2iobB1 ARG 309 HG2 -0.64 0.01 -0.25 -0.04 1.67 0.75 2iobB1 ARG 309 HG3 -1.09 -0.08 0.04 -0.04 1.67 0.50 2iobB1 ARG 309 HD2 -0.55 0.02 -0.14 -0.04 3.22 2.50 2iobB1 ARG 309 HD3 -1.20 -0.03 -0.04 -0.04 3.22 1.90 2iobB1 HIS 310 H -0.19 0.10 -0.43 -0.55 8.41 7.34 2iobB1 HIS 310 HA 0.14 0.18 0.53 -0.75 4.63 4.73 2iobB1 HIS 310 HB2 0.11 -0.00 -0.02 -0.04 3.26 3.30 2iobB1 HIS 310 HB3 0.17 0.05 0.10 -0.04 3.20 3.48 2iobB1 HIS 310 HD2 0.00 -0.02 -0.01 -0.04 6.97 6.89 2iobB1 HIS 310 HE1 0.04 0.03 -0.03 -0.04 7.75 7.75 2iobB1 HIS 311 H 0.28 0.54 -0.39 -0.55 8.41 8.29 2iobB1 HIS 311 HA 0.25 0.26 0.83 -0.75 4.63 5.22 2iobB1 HIS 311 HB2 0.26 0.07 0.12 -0.04 3.26 3.67 2iobB1 HIS 311 HB3 0.34 -0.06 0.15 -0.04 3.20 3.59 2iobB1 HIS 311 HD2 0.22 0.08 -0.52 -0.04 6.97 6.71 2iobB1 HIS 311 HE1 0.12 0.02 0.04 -0.04 7.75 7.88 2iobB1 MET 312 H 0.46 0.19 -0.26 -0.55 8.47 8.31 2iobB1 MET 312 HA 0.15 -0.04 0.50 -0.75 4.52 4.38 2iobB1 MET 312 HB2 0.33 0.05 0.04 -0.04 2.15 2.53 2iobB1 MET 312 HB3 0.35 0.02 -0.06 -0.04 2.03 2.30 2iobB1 MET 312 HG2 0.11 -0.11 -0.47 -0.04 2.63 2.12 2iobB1 MET 312 HG3 -0.04 0.06 0.02 -0.04 2.56 2.56 2iobB1 MET 312 HE3 0.10 0.02 -0.30 -0.04 2.10 1.88 2iobB1 ILE 313 H 0.07 0.05 0.23 -0.55 8.25 8.05 2iobB1 ILE 313 HA -0.23 0.26 0.69 -0.75 4.18 4.15 2iobB1 ILE 313 HB -0.23 -0.07 0.16 -0.04 1.89 1.71 2iobB1 ILE 313 HG12 -0.27 0.07 0.06 -0.04 1.49 1.31 2iobB1 ILE 313 HG13 -1.84 -0.05 0.00 -0.04 1.21 -0.72 2iobB1 ILE 313 HG23 -0.75 -0.01 -0.14 -0.04 0.93 -0.01 2iobB1 ILE 313 HD13 -1.08 0.02 -0.17 -0.04 0.88 -0.39 2iobB1 THR 314 H 0.08 0.17 0.15 -0.55 8.28 8.13 2iobB1 THR 314 HA 0.12 0.22 0.70 -0.75 4.39 4.67 2iobB1 THR 314 HB 0.08 0.04 -0.19 -0.04 4.32 4.20 2iobB1 THR 314 HG23 0.14 -0.04 -0.10 -0.04 1.22 1.19 2iobB1 GLY 315 H 0.25 0.47 0.28 -0.55 8.43 8.88 2iobB1 GLY 315 HA2 0.19 0.12 0.69 -0.51 4.01 4.50 2iobB1 GLY 315 HA3 0.21 0.02 0.33 -0.51 4.01 4.06 2iobB1 ARG 316 H 0.18 0.58 0.25 -0.55 8.46 8.92 2iobB1 ARG 316 HA 0.00 0.32 1.06 -0.75 4.34 4.97 2iobB1 ARG 316 HB2 0.06 -0.03 -0.19 -0.04 1.90 1.69 2iobB1 ARG 316 HB3 0.00 -0.10 0.03 -0.04 1.80 1.69 2iobB1 ARG 316 HG2 -0.36 0.22 -0.07 -0.04 1.67 1.42 2iobB1 ARG 316 HG3 -0.78 -0.03 -0.21 -0.04 1.67 0.61 2iobB1 ARG 316 HD2 -0.11 -0.05 -0.33 -0.04 3.22 2.70 2iobB1 ARG 316 HD3 -0.25 -0.03 -0.24 -0.04 3.22 2.66 2iobB1 MET 317 H -0.06 0.82 0.34 -0.55 8.47 9.02 2iobB1 MET 317 HA -0.10 0.23 1.00 -0.75 4.52 4.89 2iobB1 MET 317 HB2 -0.08 0.02 0.07 -0.04 2.15 2.13 2iobB1 MET 317 HB3 -0.28 -0.01 -0.12 -0.04 2.03 1.58 2iobB1 MET 317 HG2 -0.50 0.08 -0.06 -0.04 2.63 2.12 2iobB1 MET 317 HG3 -0.80 -0.06 -0.15 -0.04 2.56 1.50 2iobB1 MET 317 HE3 -0.93 0.01 -0.23 -0.04 2.10 0.91 2iobB1 ASP 318 H -0.20 0.58 0.36 -0.55 8.40 8.59 2iobB1 ASP 318 HA -0.04 0.23 0.93 -0.75 4.63 5.00 2iobB1 ASP 318 HB2 -0.02 -0.06 0.11 -0.04 2.71 2.70 2iobB1 ASP 318 HB3 -0.03 0.05 -0.03 -0.04 2.70 2.65 2iobB1 PHE 319 H 0.08 0.67 0.39 -0.55 8.34 8.92 2iobB1 PHE 319 HA -0.33 0.26 1.26 -0.75 4.62 5.06 2iobB1 PHE 319 HB2 -0.14 -0.06 -0.10 -0.04 3.15 2.81 2iobB1 PHE 319 HB3 -0.16 0.05 -0.11 -0.04 3.06 2.80 2iobB1 PHE 319 HD2 -0.13 0.11 -0.32 -0.04 7.28 6.90 2iobB1 PHE 319 HE2 -0.19 -0.00 -0.19 -0.04 7.38 6.96 2iobB1 PHE 319 HZ -0.18 0.01 -0.25 -0.04 7.32 6.86 2iobB1 CYS 320 H -0.17 0.73 0.37 -0.55 8.50 8.88 2iobB1 CYS 320 HA -0.08 0.11 0.90 -0.75 4.58 4.75 2iobB1 CYS 320 HB2 -0.09 0.03 0.01 -0.04 2.97 2.88 2iobB1 CYS 320 HB3 0.07 0.03 0.14 -0.04 2.97 3.18 2iobB1 MET 321 H 0.04 0.23 0.18 -0.55 8.47 8.38 2iobB1 MET 321 HA 0.10 0.36 1.11 -0.75 4.52 5.33 2iobB1 MET 321 HB2 -0.06 -0.05 -0.16 -0.04 2.15 1.84 2iobB1 MET 321 HB3 -0.03 -0.06 0.10 -0.04 2.03 2.00 2iobB1 MET 321 HG2 0.01 0.27 -0.21 -0.04 2.63 2.65 2iobB1 MET 321 HG3 -0.00 0.02 -0.05 -0.04 2.56 2.49 2iobB1 MET 321 HE3 -0.04 -0.02 -0.12 -0.04 2.10 1.87 2iobB1 ASP 322 H 0.16 0.51 0.25 -0.55 8.40 8.77 2iobB1 ASP 322 HA 0.05 0.19 0.49 -0.75 4.63 4.61 2iobB1 ASP 322 HB2 0.05 -0.15 0.23 -0.04 2.71 2.80 2iobB1 ASP 322 HB3 0.06 0.14 0.03 -0.04 2.70 2.89 2iobB1 GLU 323 H 0.05 0.13 0.10 -0.55 8.60 8.33 2iobB1 GLU 323 HA 0.06 0.43 0.31 -0.75 4.29 4.34 2iobB1 GLU 323 HB2 0.04 -0.06 -0.04 -0.04 2.09 1.99 2iobB1 GLU 323 HB3 0.03 -0.00 0.03 -0.04 1.99 2.01 2iobB1 GLU 323 HG2 0.02 -0.04 0.08 -0.04 2.34 2.36 2iobB1 GLU 323 HG3 0.02 0.07 -0.12 -0.04 2.34 2.27 2iobB1 ARG 324 H 0.11 -0.00 -0.48 -0.55 8.46 7.54 2iobB1 ARG 324 HA 0.13 0.05 0.42 -0.75 4.34 4.19 2iobB1 ARG 324 HB2 0.32 0.04 -0.05 -0.04 1.90 2.17 2iobB1 ARG 324 HB3 0.24 0.05 0.01 -0.04 1.80 2.06 2iobB1 ARG 324 HG2 -0.09 0.01 -0.02 -0.04 1.67 1.53 2iobB1 ARG 324 HG3 -0.04 -0.14 -0.03 -0.04 1.67 1.42 2iobB1 ARG 324 HD2 -0.87 0.07 -0.04 -0.04 3.22 2.34 2iobB1 ARG 324 HD3 -0.33 -0.03 -0.03 -0.04 3.22 2.80 2iobB1 GLY 325 H 0.23 0.47 -0.02 -0.55 8.43 8.56 2iobB1 GLY 325 HA2 0.15 -0.03 0.27 -0.51 4.01 3.90 2iobB1 GLY 325 HA3 0.21 0.23 0.81 -0.51 4.01 4.76 2iobB1 LEU 326 H 0.17 0.22 0.15 -0.55 8.37 8.37 2iobB1 LEU 326 HA 0.08 0.28 1.05 -0.75 4.35 5.00 2iobB1 LEU 326 HB2 0.10 -0.09 0.03 -0.04 1.64 1.64 2iobB1 LEU 326 HB3 0.15 0.02 0.03 -0.04 1.64 1.81 2iobB1 LEU 326 HG -0.18 -0.06 -0.11 -0.04 1.64 1.26 2iobB1 LEU 326 HD13 -0.51 -0.01 -0.17 -0.04 0.93 0.20 2iobB1 LEU 326 HD23 -0.29 0.02 -0.14 -0.04 0.89 0.44 2iobB1 LYS 327 H 0.06 0.56 0.32 -0.55 8.42 8.81 2iobB1 LYS 327 HA 0.02 0.36 1.02 -0.75 4.32 4.96 2iobB1 LYS 327 HB2 -0.38 -0.10 0.03 -0.04 1.87 1.38 2iobB1 LYS 327 HB3 -0.34 0.08 -0.14 -0.04 1.79 1.34 2iobB1 LYS 327 HG2 -0.70 -0.11 -0.54 -0.04 1.46 0.07 2iobB1 LYS 327 HG3 -2.47 -0.04 -0.22 -0.04 1.46 -1.31 2iobB1 LYS 327 HD2 -0.38 -0.02 -0.45 -0.04 1.69 0.81 2iobB1 LYS 327 HD3 -0.22 0.37 -0.18 -0.04 1.68 1.61 2iobB1 LYS 327 HE2 -0.62 -0.09 -0.16 -0.04 2.99 2.09 2iobB1 LYS 327 HE3 -1.40 -0.12 -0.14 -0.04 2.99 1.28 2iobB1 VAL 328 H 0.04 0.60 0.24 -0.55 8.24 8.56 2iobB1 VAL 328 HA -0.60 0.05 0.60 -0.75 4.13 3.42 2iobB1 VAL 328 HB -0.03 0.00 -0.19 -0.04 2.12 1.86 2iobB1 VAL 328 HG13 -0.53 -0.05 -0.11 -0.04 0.97 0.24 2iobB1 VAL 328 HG23 -0.01 0.09 0.03 -0.04 0.95 1.03 2iobB1 TYR 329 H -0.15 0.67 0.47 -0.55 8.29 8.72 2iobB1 TYR 329 HA -0.05 0.17 0.75 -0.75 4.56 4.68 2iobB1 TYR 329 HB2 -0.07 0.02 0.11 -0.04 3.06 3.08 2iobB1 TYR 329 HB3 -0.03 -0.06 -0.05 -0.04 2.98 2.80 2iobB1 TYR 329 HD2 -0.02 0.02 -0.27 -0.04 7.15 6.85 2iobB1 TYR 329 HE2 0.06 0.01 -0.06 -0.04 6.85 6.82 2iobB1 GLU 330 H -0.02 0.26 0.34 -0.55 8.60 8.64 2iobB1 GLU 330 HA 0.13 0.21 0.71 -0.75 4.29 4.58 2iobB1 GLU 330 HB2 0.07 0.12 -0.36 -0.04 2.09 1.88 2iobB1 GLU 330 HB3 0.05 -0.10 -0.05 -0.04 1.99 1.85 2iobB1 GLU 330 HG2 0.04 -0.10 -0.23 -0.04 2.34 2.00 2iobB1 GLU 330 HG3 0.06 0.17 0.03 -0.04 2.34 2.56 2iobB1 TYR 331 H 0.08 0.35 0.02 -0.55 8.29 8.20 2iobB1 TYR 331 HA -0.20 0.20 0.84 -0.75 4.56 4.65 2iobB1 TYR 331 HB2 -0.72 0.03 -0.21 -0.04 3.06 2.11 2iobB1 TYR 331 HB3 -1.02 0.10 -0.01 -0.04 2.98 2.01 2iobB1 TYR 331 HD2 -0.72 0.10 -0.24 -0.04 7.15 6.24 2iobB1 TYR 331 HE2 0.02 -0.02 -0.24 -0.04 6.85 6.57 2iobB1 ASN 332 H 0.07 0.61 0.19 -0.55 8.53 8.85 2iobB1 ASN 332 HA -0.08 0.06 0.73 -0.75 4.76 4.71 2iobB1 ASN 332 HB2 0.00 0.07 0.05 -0.04 2.88 2.97 2iobB1 ASN 332 HB3 0.02 0.02 0.19 -0.04 2.79 2.98 2iobB1 ASN 332 HD21 0.00 -0.01 -0.20 -0.04 7.03 6.79 2iobB1 ASN 332 HD22 0.01 0.07 -0.12 -0.04 7.74 7.66 2iobB1 ALA 333 H -0.26 0.27 0.17 -0.55 8.40 8.04 2iobB1 ALA 333 HA -0.24 0.10 0.73 -0.75 4.34 4.18 2iobB1 ALA 333 HB3 -0.49 0.08 0.03 -0.04 1.41 0.99 2iobB1 ASP 334 H -0.07 -0.11 -0.03 -0.55 8.40 7.64 2iobB1 ASP 334 HA -0.02 0.27 0.88 -0.75 4.63 5.01 2iobB1 ASP 334 HB2 0.02 0.11 -0.25 -0.04 2.71 2.55 2iobB1 ASP 334 HB3 0.01 -0.11 0.10 -0.04 2.70 2.66 2iobB1 SER 335 H 0.00 -0.00 -0.03 -0.55 8.46 7.88 2iobB1 SER 335 HA 0.01 0.34 0.76 -0.75 4.49 4.85 2iobB1 SER 335 HB2 -0.05 0.09 0.07 -0.04 3.95 4.02 2iobB1 SER 335 HB3 -0.03 -0.06 -0.12 -0.04 3.93 3.68 2iobB1 ALA 336 H 0.12 0.22 -0.29 -0.55 8.40 7.90 2iobB1 ALA 336 HA 0.09 0.01 0.46 -0.75 4.34 4.15 2iobB1 ALA 336 HB3 0.26 0.09 -0.05 -0.04 1.41 1.67 2iobB1 SER 337 H 0.10 0.16 0.12 -0.55 8.46 8.30 2iobB1 SER 337 HA 0.02 0.17 0.69 -0.75 4.49 4.62 2iobB1 SER 337 HB2 -0.39 -0.19 0.17 -0.04 3.95 3.50 2iobB1 SER 337 HB3 -0.34 0.15 -0.09 -0.04 3.93 3.60 2iobB1 CYS 338 H 0.05 0.13 0.13 -0.55 8.50 8.26 2iobB1 CYS 338 HA 0.13 0.02 0.31 -0.75 4.58 4.28 2iobB1 CYS 338 HB2 0.17 0.38 0.39 -0.04 2.97 3.87 2iobB1 CYS 338 HB3 0.16 -0.06 0.12 -0.04 2.97 3.15 2iobB1 HIS 339 H 0.44 0.10 -0.30 -0.55 8.41 8.11 2iobB1 HIS 339 HA -0.52 0.16 0.28 -0.75 4.63 3.80 2iobB1 HIS 339 HB2 -0.25 -0.05 -0.00 -0.04 3.26 2.91 2iobB1 HIS 339 HB3 -0.32 0.07 -0.10 -0.04 3.20 2.80 2iobB1 HIS 339 HD2 -0.04 0.03 -0.13 -0.04 6.97 6.78 2iobB1 HIS 339 HE1 0.32 -0.01 -0.46 -0.04 7.75 7.57 2iobB1 THR 340 H -0.21 0.08 -0.11 -0.55 8.28 7.49 2iobB1 THR 340 HA -0.94 0.13 0.36 -0.75 4.39 3.18 2iobB1 THR 340 HB 0.24 -0.02 0.01 -0.04 4.32 4.51 2iobB1 THR 340 HG23 0.00 0.01 -0.10 -0.04 1.22 1.09 2iobB1 GLU 341 H 0.02 0.06 -0.26 -0.55 8.60 7.88 2iobB1 GLU 341 HA -0.16 0.02 0.32 -0.75 4.29 3.72 2iobB1 GLU 341 HB2 0.06 0.08 0.10 -0.04 2.09 2.29 2iobB1 GLU 341 HB3 0.01 0.05 -0.03 -0.04 1.99 1.98 2iobB1 GLU 341 HG2 0.12 0.09 0.07 -0.04 2.34 2.57 2iobB1 GLU 341 HG3 0.12 0.05 0.06 -0.04 2.34 2.54 2iobB1 ALA 342 H -0.01 0.48 -0.20 -0.55 8.40 8.13 2iobB1 ALA 342 HA 0.01 0.05 0.48 -0.75 4.34 4.13 2iobB1 ALA 342 HB3 0.11 0.02 0.00 -0.04 1.41 1.50 2iobB1 GLY 343 H -0.13 0.67 0.01 -0.55 8.43 8.44 2iobB1 GLY 343 HA2 0.04 0.25 0.55 -0.51 4.01 4.34 2iobB1 GLY 343 HA3 0.11 -0.02 0.33 -0.51 4.01 3.92 2iobB1 LEU 344 H 0.00 0.38 -0.16 -0.55 8.37 8.05 2iobB1 LEU 344 HA 0.09 0.26 1.06 -0.75 4.35 5.01 2iobB1 LEU 344 HB2 0.24 0.03 -0.07 -0.04 1.64 1.80 2iobB1 LEU 344 HB3 0.08 0.06 0.15 -0.04 1.64 1.89 2iobB1 LEU 344 HG -0.02 -0.00 -0.33 -0.04 1.64 1.25 2iobB1 LEU 344 HD13 0.05 0.00 0.03 -0.04 0.93 0.97 2iobB1 LEU 344 HD23 0.07 -0.02 -0.08 -0.04 0.89 0.81 2iobB1 ILE 345 H -0.11 0.45 0.19 -0.55 8.25 8.23 2iobB1 ILE 345 HA -0.06 0.03 0.41 -0.75 4.18 3.80 2iobB1 ILE 345 HB -0.16 0.13 0.16 -0.04 1.89 1.98 2iobB1 ILE 345 HG12 -0.36 0.10 -0.05 -0.04 1.49 1.15 2iobB1 ILE 345 HG13 -1.00 -0.00 -0.07 -0.04 1.21 0.09 2iobB1 ILE 345 HG23 -0.13 0.01 -0.07 -0.04 0.93 0.70 2iobB1 ILE 345 HD13 -0.77 -0.00 -0.06 -0.04 0.88 0.01 2iobB1 LEU 346 H 0.03 0.59 -0.00 -0.55 8.37 8.44 2iobB1 LEU 346 HA 0.17 0.03 0.51 -0.75 4.35 4.30 2iobB1 LEU 346 HB2 0.03 0.22 0.14 -0.04 1.64 1.98 2iobB1 LEU 346 HB3 0.02 -0.04 0.05 -0.04 1.64 1.63 2iobB1 LEU 346 HG -0.06 0.09 -0.06 -0.04 1.64 1.57 2iobB1 LEU 346 HD13 -0.10 -0.01 0.01 -0.04 0.93 0.79 2iobB1 LEU 346 HD23 -0.38 -0.01 -0.03 -0.04 0.89 0.42 2iobB1 GLU 347 H 0.12 0.16 -0.57 -0.55 8.60 7.76 2iobB1 GLU 347 HA 0.16 0.04 0.52 -0.75 4.29 4.26 2iobB1 GLU 347 HB2 0.10 0.19 0.13 -0.04 2.09 2.48 2iobB1 GLU 347 HB3 0.10 -0.02 0.05 -0.04 1.99 2.08 2iobB1 GLU 347 HG2 0.09 -0.04 -0.14 -0.04 2.34 2.22 2iobB1 GLU 347 HG3 0.08 0.18 0.09 -0.04 2.34 2.65 2iobB1 ARG 348 H 0.18 0.41 -0.09 -0.55 8.46 8.42 2iobB1 ARG 348 HA 0.16 0.04 0.41 -0.75 4.34 4.20 2iobB1 ARG 348 HB2 0.34 0.10 0.12 -0.04 1.90 2.42 2iobB1 ARG 348 HB3 0.28 0.08 0.05 -0.04 1.80 2.18 2iobB1 ARG 348 HG2 0.08 0.17 0.09 -0.04 1.67 1.97 2iobB1 ARG 348 HG3 0.02 -0.12 0.06 -0.04 1.67 1.58 2iobB1 ARG 348 HD2 0.09 0.02 0.01 -0.04 3.22 3.29 2iobB1 ARG 348 HD3 0.04 -0.04 0.03 -0.04 3.22 3.21 2iobB1 TRP 349 H 0.55 0.54 -0.12 -0.55 7.97 8.39 2iobB1 TRP 349 HA 0.13 0.02 0.37 -0.75 4.62 4.39 2iobB1 TRP 349 HB2 0.07 0.00 0.10 -0.04 3.23 3.36 2iobB1 TRP 349 HB3 0.03 0.08 0.18 -0.04 3.23 3.47 2iobB1 TRP 349 HD1 -0.96 -0.06 0.01 -0.04 7.22 6.16 2iobB1 TRP 349 HE1 -0.71 0.34 0.13 -0.04 10.20 9.91 2iobB1 TRP 349 HE3 -0.09 0.11 -0.12 -0.04 7.59 7.45 2iobB1 TRP 349 HZ2 -0.19 0.11 -0.25 -0.04 7.44 7.07 2iobB1 TRP 349 HZ3 -0.47 -0.02 -0.18 -0.04 7.13 6.41 2iobB1 TRP 349 HH2 -1.26 -0.04 -0.25 -0.04 7.19 5.60 2iobB1 ALA 350 H 0.44 0.60 -0.20 -0.55 8.40 8.70 2iobB1 ALA 350 HA -0.25 -0.07 0.32 -0.75 4.34 3.59 2iobB1 ALA 350 HB3 0.24 0.02 0.11 -0.04 1.41 1.74 2iobB1 GLU 351 H 0.09 0.58 -0.10 -0.55 8.60 8.62 2iobB1 GLU 351 HA -0.01 0.02 0.40 -0.75 4.29 3.95 2iobB1 GLU 351 HB2 0.06 0.04 0.17 -0.04 2.09 2.32 2iobB1 GLU 351 HB3 0.06 0.08 0.22 -0.04 1.99 2.31 2iobB1 GLU 351 HG2 -0.00 0.02 -0.08 -0.04 2.34 2.23 2iobB1 GLU 351 HG3 0.01 -0.03 0.06 -0.04 2.34 2.34 2iobB1 GLN 352 H -0.04 0.67 -0.09 -0.55 8.47 8.46 2iobB1 GLN 352 HA -0.18 -0.01 0.39 -0.75 4.36 3.81 2iobB1 GLN 352 HB2 0.06 0.15 0.15 -0.04 2.15 2.47 2iobB1 GLN 352 HB3 -0.52 -0.04 0.02 -0.04 2.02 1.44 2iobB1 GLN 352 HG2 0.07 -0.08 0.04 -0.04 2.40 2.38 2iobB1 GLN 352 HG3 -0.40 0.04 0.05 -0.04 2.39 2.03 2iobB1 GLN 352 HE21 -0.00 -0.06 0.02 -0.04 6.97 6.89 2iobB1 GLN 352 HE22 -0.01 0.02 0.05 -0.04 7.69 7.71 2iobB1 GLY 353 H -0.52 0.43 -0.13 -0.55 8.43 7.66 2iobB1 GLY 353 HA2 -0.46 0.17 1.05 -0.51 4.01 4.26 2iobB1 GLY 353 HA3 -0.68 -0.11 0.21 -0.51 4.01 2.92 2iobB1 TYR 354 H -0.33 0.76 0.21 -0.55 8.29 8.38 2iobB1 TYR 354 HA -0.33 0.03 0.87 -0.75 4.56 4.38 2iobB1 TYR 354 HB2 -0.66 -0.04 -0.01 -0.04 3.06 2.30 2iobB1 TYR 354 HB3 -0.24 0.11 0.14 -0.04 2.98 2.95 2iobB1 TYR 354 HD2 -0.17 0.09 -0.11 -0.04 7.15 6.92 2iobB1 TYR 354 HE2 0.08 0.17 -0.22 -0.04 6.85 6.83 2iobB1 LYS 355 H -0.65 -0.00 0.19 -0.55 8.42 7.40 2iobB1 LYS 355 HA -0.33 0.33 0.95 -0.75 4.32 4.52 2iobB1 LYS 355 HB2 -0.21 -0.07 0.03 -0.04 1.87 1.58 2iobB1 LYS 355 HB3 -0.18 -0.03 0.14 -0.04 1.79 1.68 2iobB1 LYS 355 HG2 -0.15 0.03 -0.04 -0.04 1.46 1.26 2iobB1 LYS 355 HG3 -0.20 0.10 -0.65 -0.04 1.46 0.66 2iobB1 LYS 355 HD2 -0.11 -0.06 -0.02 -0.04 1.69 1.45 2iobB1 LYS 355 HD3 -0.12 0.03 -0.07 -0.04 1.68 1.48 2iobB1 LYS 355 HE2 -0.15 0.15 -0.10 -0.04 2.99 2.85 2iobB1 LYS 355 HE3 -0.12 -0.08 -0.02 -0.04 2.99 2.73 2iobB1 GLY 356 H -1.86 -0.05 0.05 -0.55 8.43 6.03 2iobB1 GLY 356 HA2 -0.20 0.13 0.51 -0.51 4.01 3.93 2iobB1 GLY 356 HA3 -0.26 -0.07 0.35 -0.51 4.01 3.51 2iobB1 ASN 357 H 0.08 0.05 0.15 -0.55 8.53 8.26 2iobB1 ASN 357 HA 0.07 0.30 0.74 -0.75 4.76 5.12 2iobB1 ASN 357 HB2 0.08 0.01 0.14 -0.04 2.88 3.07 2iobB1 ASN 357 HB3 0.04 0.04 0.06 -0.04 2.79 2.88 2iobB1 ASN 357 HD21 0.06 -0.01 0.03 -0.04 7.03 7.06 2iobB1 ASN 357 HD22 0.04 0.04 0.03 -0.04 7.74 7.81 2iobB1 GLY 358 H 0.37 -0.10 -0.14 -0.55 8.43 8.01 2iobB1 GLY 358 HA2 0.23 0.08 0.58 -0.51 4.01 4.39 2iobB1 GLY 358 HA3 0.14 -0.00 0.27 -0.51 4.01 3.90 2iobB1 PHE 359 H -0.41 0.37 0.32 -0.55 8.34 8.06 2iobB1 PHE 359 HA 0.09 0.22 0.83 -0.75 4.62 5.00 2iobB1 PHE 359 HB2 0.06 0.01 0.01 -0.04 3.15 3.19 2iobB1 PHE 359 HB3 0.07 0.14 -0.19 -0.04 3.06 3.03 2iobB1 PHE 359 HD2 0.07 0.07 -0.27 -0.04 7.28 7.10 2iobB1 PHE 359 HE2 0.07 -0.02 -0.08 -0.04 7.38 7.30 2iobB1 PHE 359 HZ 0.05 -0.03 -0.05 -0.04 7.32 7.24 2iobB1 ASN 360 H 0.18 0.22 0.16 -0.55 8.53 8.54 2iobB1 ASN 360 HA -0.04 0.35 0.75 -0.75 4.76 5.06 2iobB1 ASN 360 HB2 0.08 0.10 0.12 -0.04 2.88 3.14 2iobB1 ASN 360 HB3 0.13 -0.01 0.22 -0.04 2.79 3.08 2iobB1 ASN 360 HD21 0.07 0.40 -0.06 -0.04 7.03 7.39 2iobB1 ASN 360 HD22 0.10 -0.01 -0.11 -0.04 7.74 7.68 2iobB1 PRO 361 HA 0.41 0.08 0.35 -0.51 4.44 4.76 2iobB1 PRO 361 HB2 0.21 -0.05 0.04 -0.04 2.28 2.44 2iobB1 PRO 361 HB3 0.11 0.01 0.07 -0.04 2.02 2.17 2iobB1 PRO 361 HG2 0.05 0.29 0.04 -0.04 2.03 2.37 2iobB1 PRO 361 HG3 -0.02 0.01 -0.07 -0.04 2.03 1.90 2iobB1 PRO 361 HD2 -0.04 0.22 0.20 -0.04 3.68 4.02 2iobB1 PRO 361 HD3 -0.18 0.13 0.21 -0.04 3.65 3.76 2iobB1 ALA 362 H 0.09 0.18 -0.29 -0.55 8.40 7.84 2iobB1 ALA 362 HA 0.06 0.17 0.94 -0.75 4.34 4.76 2iobB1 ALA 362 HB3 0.07 0.07 -0.06 -0.04 1.41 1.44 2iobB1 GLU 363 H 0.14 0.49 -0.19 -0.55 8.60 8.50 2iobB1 GLU 363 HA 0.08 0.08 0.40 -0.75 4.29 4.10 2iobB1 GLU 363 HB2 0.09 -0.01 0.12 -0.04 2.09 2.24 2iobB1 GLU 363 HB3 0.15 0.08 0.21 -0.04 1.99 2.39 2iobB1 GLU 363 HG2 0.15 -0.03 0.02 -0.04 2.34 2.44 2iobB1 GLU 363 HG3 0.07 0.00 -0.19 -0.04 2.34 2.18 2iobB1 GLY 364 H 0.07 0.17 -0.28 -0.55 8.43 7.84 2iobB1 GLY 364 HA2 0.03 0.10 0.51 -0.51 4.01 4.14 2iobB1 GLY 364 HA3 0.03 0.06 0.28 -0.51 4.01 3.87 2iobB1 LEU 365 H 0.01 0.49 -0.46 -0.55 8.37 7.86 2iobB1 LEU 365 HA -0.06 0.13 0.26 -0.75 4.35 3.94 2iobB1 LEU 365 HB2 -0.12 0.16 0.14 -0.04 1.64 1.78 2iobB1 LEU 365 HB3 0.04 -0.08 0.12 -0.04 1.64 1.68 2iobB1 LEU 365 HG 0.06 -0.05 -0.24 -0.04 1.64 1.37 2iobB1 LEU 365 HD13 -0.20 0.02 -0.05 -0.04 0.93 0.66 2iobB1 LEU 365 HD23 -0.70 -0.02 -0.06 -0.04 0.89 0.07 2iobB1 ILE 366 H 0.02 0.23 -0.03 -0.55 8.25 7.92 2iobB1 ILE 366 HA -0.15 0.03 0.38 -0.75 4.18 3.68 2iobB1 ILE 366 HB -0.05 0.03 0.10 -0.04 1.89 1.92 2iobB1 ILE 366 HG12 -0.53 -0.01 -0.02 -0.04 1.49 0.89 2iobB1 ILE 366 HG13 0.01 -0.07 0.02 -0.04 1.21 1.13 2iobB1 ILE 366 HG23 -0.19 0.01 -0.14 -0.04 0.93 0.56 2iobB1 ILE 366 HD13 0.01 0.02 -0.01 -0.04 0.88 0.85 2iobB1 ASN 367 H -0.01 0.16 -0.17 -0.55 8.53 7.96 2iobB1 ASN 367 HA -0.01 0.04 0.34 -0.75 4.76 4.38 2iobB1 ASN 367 HB2 0.01 0.10 0.10 -0.04 2.88 3.05 2iobB1 ASN 367 HB3 0.03 0.03 -0.04 -0.04 2.79 2.76 2iobB1 ASN 367 HD21 0.03 0.00 0.02 -0.04 7.03 7.05 2iobB1 ASN 367 HD22 0.04 0.02 0.01 -0.04 7.74 7.77 2iobB1 GLU 368 H -0.02 0.48 -0.21 -0.55 8.60 8.30 2iobB1 GLU 368 HA -0.05 0.03 0.42 -0.75 4.29 3.94 2iobB1 GLU 368 HB2 -0.04 0.13 0.07 -0.04 2.09 2.21 2iobB1 GLU 368 HB3 -0.05 0.02 -0.01 -0.04 1.99 1.92 2iobB1 GLU 368 HG2 -0.06 0.06 -0.01 -0.04 2.34 2.27 2iobB1 GLU 368 HG3 -0.08 0.01 -0.07 -0.04 2.34 2.16 2iobB1 LEU 369 H -0.03 0.49 -0.10 -0.55 8.37 8.19 2iobB1 LEU 369 HA -0.08 0.04 0.41 -0.75 4.35 3.97 2iobB1 LEU 369 HB2 -0.05 0.10 0.16 -0.04 1.64 1.81 2iobB1 LEU 369 HB3 0.03 -0.07 -0.05 -0.04 1.64 1.51 2iobB1 LEU 369 HG 0.02 0.15 0.00 -0.04 1.64 1.77 2iobB1 LEU 369 HD13 0.15 -0.05 -0.13 -0.04 0.93 0.86 2iobB1 LEU 369 HD23 0.01 -0.00 -0.07 -0.04 0.89 0.79 2iobB1 ALA 370 H -0.00 0.54 -0.12 -0.55 8.40 8.28 2iobB1 ALA 370 HA 0.13 0.05 0.40 -0.75 4.34 4.16 2iobB1 ALA 370 HB3 0.01 0.02 0.02 -0.04 1.41 1.42 2iobB1 GLY 371 H 0.04 0.44 -0.22 -0.55 8.43 8.15 2iobB1 GLY 371 HA2 0.14 0.03 0.38 -0.51 4.01 4.05 2iobB1 GLY 371 HA3 0.13 0.04 0.27 -0.51 4.01 3.94 2iobB1 ALA 372 H -0.01 0.33 -0.36 -0.55 8.40 7.82 2iobB1 ALA 372 HA 0.00 0.08 0.36 -0.75 4.34 4.03 2iobB1 ALA 372 HB3 -0.24 0.01 0.07 -0.04 1.41 1.20 2iobB1 TRP 373 H 0.05 0.49 -0.11 -0.55 7.97 7.86 2iobB1 TRP 373 HA -0.24 -0.03 0.39 -0.75 4.62 3.99 2iobB1 TRP 373 HB2 -0.13 0.09 0.09 -0.04 3.23 3.23 2iobB1 TRP 373 HB3 -0.33 -0.01 -0.06 -0.04 3.23 2.79 2iobB1 TRP 373 HD1 -0.28 0.03 -0.25 -0.04 7.22 6.68 2iobB1 TRP 373 HE1 -0.57 -0.10 -0.08 -0.04 10.20 9.41 2iobB1 TRP 373 HE3 -0.78 0.05 -0.01 -0.04 7.59 6.81 2iobB1 TRP 373 HZ2 -0.90 -0.07 -0.05 -0.04 7.44 6.38 2iobB1 TRP 373 HZ3 -1.49 -0.01 -0.06 -0.04 7.13 5.53 2iobB1 TRP 373 HH2 -0.19 -0.02 -0.03 -0.04 7.19 6.90 2iobB1 LYS 374 H 0.18 0.59 -0.14 -0.55 8.42 8.49 2iobB1 LYS 374 HA 0.14 0.06 0.37 -0.75 4.32 4.14 2iobB1 LYS 374 HB2 -0.02 -0.01 0.15 -0.04 1.87 1.96 2iobB1 LYS 374 HB3 -0.22 0.02 0.12 -0.04 1.79 1.67 2iobB1 LYS 374 HG2 -0.45 -0.01 -0.07 -0.04 1.46 0.88 2iobB1 LYS 374 HG3 -0.19 0.09 0.10 -0.04 1.46 1.42 2iobB1 LYS 374 HD2 -0.35 -0.02 -0.04 -0.04 1.69 1.25 2iobB1 LYS 374 HD3 -0.19 -0.06 -0.01 -0.04 1.68 1.37 2iobB1 LYS 374 HE2 -0.07 0.09 0.03 -0.04 2.99 2.99 2iobB1 LYS 374 HE3 -0.02 -0.01 -0.02 -0.04 2.99 2.90 2iobB1 HIS 375 H 0.07 0.54 -0.24 -0.55 8.41 8.23 2iobB1 HIS 375 HA -0.01 0.12 0.70 -0.75 4.63 4.69 2iobB1 HIS 375 HB2 0.00 0.07 0.16 -0.04 3.26 3.46 2iobB1 HIS 375 HB3 -0.01 -0.09 0.25 -0.04 3.20 3.32 2iobB1 HIS 375 HD2 -0.22 0.03 -0.05 -0.04 6.97 6.68 2iobB1 HIS 375 HE1 -0.59 -0.07 -0.04 -0.04 7.75 7.00 2iobB1 SER 376 H 0.11 0.43 -0.56 -0.55 8.46 7.89 2iobB1 SER 376 HA 0.05 0.15 0.86 -0.75 4.49 4.80 2iobB1 SER 376 HB2 -0.06 -0.16 0.16 -0.04 3.95 3.85 2iobB1 SER 376 HB3 -0.13 0.22 0.06 -0.04 3.93 4.04 2iobB1 ARG 377 H 0.04 0.10 0.11 -0.55 8.46 8.15 2iobB1 ARG 377 HA 0.10 0.26 0.86 -0.75 4.34 4.81 2iobB1 ARG 377 HB2 -0.07 -0.04 0.09 -0.04 1.90 1.84 2iobB1 ARG 377 HB3 0.08 -0.03 0.16 -0.04 1.80 1.97 2iobB1 ARG 377 HG2 -0.02 0.02 -0.09 -0.04 1.67 1.54 2iobB1 ARG 377 HG3 0.02 -0.04 0.01 -0.04 1.67 1.62 2iobB1 ARG 377 HD2 0.07 -0.07 -0.03 -0.04 3.22 3.16 2iobB1 ARG 377 HD3 0.07 -0.00 0.03 -0.04 3.22 3.28 2iobB1 ALA 378 H 0.15 0.05 -0.29 -0.55 8.40 7.76 2iobB1 ALA 378 HA 0.36 -0.04 0.30 -0.75 4.34 4.21 2iobB1 ALA 378 HB3 -0.17 0.01 -0.02 -0.04 1.41 1.20 2iobB1 ARG 379 H 0.24 -0.01 0.10 -0.55 8.46 8.24 2iobB1 ARG 379 HA 0.19 0.17 0.56 -0.75 4.34 4.50 2iobB1 ARG 379 HB2 0.21 -0.04 0.10 -0.04 1.90 2.13 2iobB1 ARG 379 HB3 0.19 -0.12 0.01 -0.04 1.80 1.85 2iobB1 ARG 379 HG2 0.14 -0.07 0.02 -0.04 1.67 1.73 2iobB1 ARG 379 HG3 0.14 0.02 0.09 -0.04 1.67 1.87 2iobB1 ARG 379 HD2 0.13 0.01 0.01 -0.04 3.22 3.33 2iobB1 ARG 379 HD3 0.18 0.00 0.01 -0.04 3.22 3.38 2iobB1 PRO 380 HA 0.00 0.16 0.37 -0.51 4.44 4.47 2iobB1 PRO 380 HB2 0.10 -0.06 0.04 -0.04 2.28 2.32 2iobB1 PRO 380 HB3 -0.01 0.05 0.10 -0.04 2.02 2.12 2iobB1 PRO 380 HG2 0.05 -0.02 0.08 -0.04 2.03 2.10 2iobB1 PRO 380 HG3 0.02 0.11 0.08 -0.04 2.03 2.20 2iobB1 PRO 380 HD2 0.13 0.02 0.18 -0.04 3.68 3.97 2iobB1 PRO 380 HD3 0.12 0.18 0.22 -0.04 3.65 4.13 2iobB1 PHE 381 H 0.25 0.10 -0.26 -0.55 8.34 7.88 2iobB1 PHE 381 HA 0.02 0.20 0.89 -0.75 4.62 4.97 2iobB1 PHE 381 HB2 0.01 -0.03 -0.07 -0.04 3.15 3.03 2iobB1 PHE 381 HB3 0.04 -0.03 0.05 -0.04 3.06 3.08 2iobB1 PHE 381 HD2 -0.13 -0.01 -0.31 -0.04 7.28 6.78 2iobB1 PHE 381 HE2 -0.57 -0.04 -0.20 -0.04 7.38 6.53 2iobB1 PHE 381 HZ -0.15 -0.02 -0.31 -0.04 7.32 6.80 2iobB1 VAL 382 H -0.45 0.81 0.28 -0.55 8.24 8.33 2iobB1 VAL 382 HA 0.07 0.25 1.06 -0.75 4.13 4.75 2iobB1 VAL 382 HB -0.41 -0.03 0.05 -0.04 2.12 1.69 2iobB1 VAL 382 HG13 -0.17 -0.03 -0.30 -0.04 0.97 0.43 2iobB1 VAL 382 HG23 -0.36 0.02 -0.21 -0.04 0.95 0.35 2iobB1 HIS 383 H 0.26 0.73 0.40 -0.55 8.41 9.25 2iobB1 HIS 383 HA 0.10 0.07 0.92 -0.75 4.63 4.96 2iobB1 HIS 383 HB2 0.11 0.03 0.14 -0.04 3.26 3.50 2iobB1 HIS 383 HB3 0.08 -0.03 -0.11 -0.04 3.20 3.11 2iobB1 HIS 383 HD2 0.12 -0.03 -0.12 -0.04 6.97 6.90 2iobB1 HIS 383 HE1 -0.07 0.20 -0.15 -0.04 7.75 7.68 2iobB1 ILE 384 H 0.04 0.70 0.41 -0.55 8.25 8.84 2iobB1 ILE 384 HA 0.19 0.38 0.96 -0.75 4.18 4.95 2iobB1 ILE 384 HB 0.04 -0.10 0.14 -0.04 1.89 1.93 2iobB1 ILE 384 HG12 0.13 0.06 -0.11 -0.04 1.49 1.54 2iobB1 ILE 384 HG13 -0.09 0.06 -0.14 -0.04 1.21 1.00 2iobB1 ILE 384 HG23 0.28 -0.01 -0.12 -0.04 0.93 1.03 2iobB1 ILE 384 HD13 -0.19 -0.00 -0.10 -0.04 0.88 0.55 2iobB1 MET 385 H 0.02 0.62 0.36 -0.55 8.47 8.92 2iobB1 MET 385 HA 0.08 0.30 1.23 -0.75 4.52 5.38 2iobB1 MET 385 HB2 0.08 -0.03 0.10 -0.04 2.15 2.26 2iobB1 MET 385 HB3 0.30 -0.04 -0.04 -0.04 2.03 2.21 2iobB1 MET 385 HG2 0.08 0.03 -0.14 -0.04 2.63 2.56 2iobB1 MET 385 HG3 0.08 0.06 -0.29 -0.04 2.56 2.37 2iobB1 MET 385 HE3 -0.08 -0.01 -0.13 -0.04 2.10 1.84 2iobB1 GLN 386 H -0.04 0.78 0.40 -0.55 8.47 9.06 2iobB1 GLN 386 HA -0.60 0.00 1.00 -0.75 4.36 4.01 2iobB1 GLN 386 HB2 -0.30 -0.04 0.10 -0.04 2.15 1.87 2iobB1 GLN 386 HB3 -0.17 0.02 -0.07 -0.04 2.02 1.76 2iobB1 GLN 386 HG2 -0.07 0.06 -0.08 -0.04 2.40 2.27 2iobB1 GLN 386 HG3 -0.14 -0.07 -0.13 -0.04 2.39 2.01 2iobB1 GLN 386 HE21 -0.10 -0.09 -0.15 -0.04 6.97 6.59 2iobB1 GLN 386 HE22 -0.18 0.50 0.00 -0.04 7.69 7.97 2iobB1 ASP 387 H -0.96 0.10 0.14 -0.55 8.40 7.14 2iobB1 ASP 387 HA -0.83 0.08 0.66 -0.75 4.63 3.78 2iobB1 ASP 387 HB2 -1.91 0.01 0.07 -0.04 2.71 0.84 2iobB1 ASP 387 HB3 -0.67 -0.01 0.00 -0.04 2.70 1.98 2iobB1 LYS 388 H -0.15 0.16 0.09 -0.55 8.42 7.97 2iobB1 LYS 388 HA -0.10 0.11 0.54 -0.75 4.32 4.11 2iobB1 LYS 388 HB2 -0.03 -0.01 0.21 -0.04 1.87 2.00 2iobB1 LYS 388 HB3 -0.04 0.05 0.08 -0.04 1.79 1.84 2iobB1 LYS 388 HG2 -0.03 0.05 -0.07 -0.04 1.46 1.37 2iobB1 LYS 388 HG3 -0.01 -0.09 -0.21 -0.04 1.46 1.11 2iobB1 LYS 388 HD2 0.01 -0.04 0.01 -0.04 1.69 1.63 2iobB1 LYS 388 HD3 -0.01 0.03 0.01 -0.04 1.68 1.67 2iobB1 LYS 388 HE2 -0.00 0.01 -0.02 -0.04 2.99 2.94 2iobB1 LYS 388 HE3 0.01 0.16 -0.09 -0.04 2.99 3.02 2iobB1 ASP 389 H -0.15 0.47 0.08 -0.55 8.40 8.26 2iobB1 ASP 389 HA -0.09 0.14 0.65 -0.75 4.63 4.58 2iobB1 ASP 389 HB2 -0.15 0.14 -0.19 -0.04 2.71 2.47 2iobB1 ASP 389 HB3 -0.22 -0.03 -0.11 -0.04 2.70 2.30 2iobB1 ILE 390 H -0.06 0.25 0.12 -0.55 8.25 8.02 2iobB1 ILE 390 HA -0.03 0.07 0.35 -0.75 4.18 3.81 2iobB1 ILE 390 HB -0.03 0.02 0.14 -0.04 1.89 1.98 2iobB1 ILE 390 HG12 0.01 0.04 -0.15 -0.04 1.49 1.35 2iobB1 ILE 390 HG13 0.00 -0.07 0.05 -0.04 1.21 1.16 2iobB1 ILE 390 HG23 -0.02 0.03 0.01 -0.04 0.93 0.91 2iobB1 ILE 390 HD13 -0.01 0.03 -0.04 -0.04 0.88 0.82 2iobB1 GLU 391 H -0.08 0.11 -0.10 -0.55 8.60 7.98 2iobB1 GLU 391 HA -0.08 0.17 0.56 -0.75 4.29 4.19 2iobB1 GLU 391 HB2 -0.15 -0.03 0.02 -0.04 2.09 1.89 2iobB1 GLU 391 HB3 -0.21 0.00 0.03 -0.04 1.99 1.77 2iobB1 GLU 391 HG2 0.02 0.05 0.03 -0.04 2.34 2.39 2iobB1 GLU 391 HG3 -0.04 -0.01 0.04 -0.04 2.34 2.30 2iobB1 GLU 392 H -0.18 0.19 -0.20 -0.55 8.60 7.86 2iobB1 GLU 392 HA -0.19 0.05 0.48 -0.75 4.29 3.87 2iobB1 GLU 392 HB2 -0.22 0.19 0.14 -0.04 2.09 2.17 2iobB1 GLU 392 HB3 -0.22 -0.04 0.09 -0.04 1.99 1.79 2iobB1 GLU 392 HG2 -0.21 0.07 0.02 -0.04 2.34 2.18 2iobB1 GLU 392 HG3 -0.21 -0.05 -0.01 -0.04 2.34 2.03 2iobB1 ASN 393 H -0.11 0.29 -0.36 -0.55 8.53 7.80 2iobB1 ASN 393 HA -0.03 0.03 0.35 -0.75 4.76 4.36 2iobB1 ASN 393 HB2 0.02 0.34 0.17 -0.04 2.88 3.37 2iobB1 ASN 393 HB3 0.05 -0.01 -0.04 -0.04 2.79 2.75 2iobB1 ASN 393 HD21 -0.01 -0.01 -0.04 -0.04 7.03 6.93 2iobB1 ASN 393 HD22 0.01 0.03 -0.01 -0.04 7.74 7.74 2iobB1 TYR 394 H 0.04 0.32 -0.18 -0.55 8.29 7.92 2iobB1 TYR 394 HA 0.07 0.07 0.39 -0.75 4.56 4.35 2iobB1 TYR 394 HB2 0.14 -0.02 0.03 -0.04 3.06 3.17 2iobB1 TYR 394 HB3 0.09 0.04 -0.19 -0.04 2.98 2.89 2iobB1 TYR 394 HD2 0.06 0.01 -0.13 -0.04 7.15 7.06 2iobB1 TYR 394 HE2 0.01 -0.09 0.02 -0.04 6.85 6.75 2iobB1 HIS 395 H -0.29 0.36 -0.25 -0.55 8.41 7.68 2iobB1 HIS 395 HA 0.06 -0.07 0.43 -0.75 4.63 4.29 2iobB1 HIS 395 HB2 -0.26 -0.01 0.13 -0.04 3.26 3.08 2iobB1 HIS 395 HB3 -0.12 0.07 0.16 -0.04 3.20 3.27 2iobB1 HIS 395 HD2 0.04 0.00 -0.03 -0.04 6.97 6.94 2iobB1 HIS 395 HE1 -0.29 0.01 0.01 -0.04 7.75 7.43 2iobB1 ALA 396 H 0.06 0.71 -0.09 -0.55 8.40 8.54 2iobB1 ALA 396 HA 0.34 0.05 0.34 -0.75 4.34 4.32 2iobB1 ALA 396 HB3 0.06 0.02 0.04 -0.04 1.41 1.49 2iobB1 GLN 397 H 0.07 0.50 -0.16 -0.55 8.47 8.34 2iobB1 GLN 397 HA -0.04 0.04 0.39 -0.75 4.36 3.99 2iobB1 GLN 397 HB2 0.11 0.03 0.10 -0.04 2.15 2.35 2iobB1 GLN 397 HB3 0.03 -0.06 -0.03 -0.04 2.02 1.92 2iobB1 GLN 397 HG2 0.00 -0.03 -0.03 -0.04 2.40 2.30 2iobB1 GLN 397 HG3 0.03 0.13 0.04 -0.04 2.39 2.54 2iobB1 GLN 397 HE21 0.04 0.07 -0.12 -0.04 6.97 6.92 2iobB1 GLN 397 HE22 0.04 -0.07 -0.19 -0.04 7.69 7.43 2iobB1 PHE 398 H 0.22 0.64 -0.14 -0.55 8.34 8.51 2iobB1 PHE 398 HA -0.05 -0.00 0.47 -0.75 4.62 4.28 2iobB1 PHE 398 HB2 0.09 -0.03 0.11 -0.04 3.15 3.28 2iobB1 PHE 398 HB3 -0.00 0.13 0.17 -0.04 3.06 3.32 2iobB1 PHE 398 HD2 -0.07 0.05 -0.15 -0.04 7.28 7.06 2iobB1 PHE 398 HE2 -0.02 0.04 -0.18 -0.04 7.38 7.18 2iobB1 PHE 398 HZ -0.06 0.02 -0.18 -0.04 7.32 7.06 2iobB1 MET 399 H -0.10 0.55 -0.21 -0.55 8.47 8.17 2iobB1 MET 399 HA -0.41 0.01 0.34 -0.75 4.52 3.70 2iobB1 MET 399 HB2 -0.89 0.01 0.05 -0.04 2.15 1.27 2iobB1 MET 399 HB3 -0.93 0.08 0.04 -0.04 2.03 1.18 2iobB1 MET 399 HG2 -2.99 0.03 -0.08 -0.04 2.63 -0.45 2iobB1 MET 399 HG3 -1.10 -0.02 -0.14 -0.04 2.56 1.26 2iobB1 MET 399 HE3 -0.37 0.00 -0.07 -0.04 2.10 1.63 2iobB1 GLU 400 H -0.28 0.54 -0.15 -0.55 8.60 8.16 2iobB1 GLU 400 HA -0.53 0.04 0.41 -0.75 4.29 3.45 2iobB1 GLU 400 HB2 -0.25 0.00 0.04 -0.04 2.09 1.85 2iobB1 GLU 400 HB3 -0.24 0.10 0.12 -0.04 1.99 1.93 2iobB1 GLU 400 HG2 -0.72 0.01 -0.22 -0.04 2.34 1.36 2iobB1 GLU 400 HG3 -0.73 -0.00 -0.01 -0.04 2.34 1.56 2iobB1 GLN 401 H -0.31 0.41 -0.41 -0.55 8.47 7.61 2iobB1 GLN 401 HA -0.21 0.03 0.45 -0.75 4.36 3.87 2iobB1 GLN 401 HB2 -0.32 0.18 0.18 -0.04 2.15 2.15 2iobB1 GLN 401 HB3 -0.21 -0.04 -0.00 -0.04 2.02 1.73 2iobB1 GLN 401 HG2 -0.08 -0.01 0.03 -0.04 2.40 2.29 2iobB1 GLN 401 HG3 -0.12 0.10 0.03 -0.04 2.39 2.36 2iobB1 GLN 401 HE21 -0.01 -0.11 -0.00 -0.04 6.97 6.80 2iobB1 GLN 401 HE22 -0.02 0.01 -0.02 -0.04 7.69 7.61 2iobB1 ALA 402 H -0.42 0.28 -0.21 -0.55 8.40 7.51 2iobB1 ALA 402 HA -0.19 0.02 0.37 -0.75 4.34 3.79 2iobB1 ALA 402 HB3 -0.21 0.01 0.01 -0.04 1.41 1.17 2iobB1 LEU 403 H -0.53 0.61 -0.11 -0.55 8.37 7.81 2iobB1 LEU 403 HA -0.53 0.05 0.32 -0.75 4.35 3.45 2iobB1 LEU 403 HB2 -0.64 0.01 0.12 -0.04 1.64 1.10 2iobB1 LEU 403 HB3 -0.52 0.02 -0.09 -0.04 1.64 1.01 2iobB1 LEU 403 HG -1.62 -0.01 -0.04 -0.04 1.64 -0.07 2iobB1 LEU 403 HD13 -0.89 -0.02 -0.16 -0.04 0.93 -0.18 2iobB1 LEU 403 HD23 -2.11 0.01 -0.08 -0.04 0.89 -1.33 2iobB1 HIS 404 H -0.31 0.60 -0.14 -0.55 8.41 8.02 2iobB1 HIS 404 HA -0.12 0.20 0.36 -0.75 4.63 4.32 2iobB1 HIS 404 HB2 -0.14 0.03 0.14 -0.04 3.26 3.26 2iobB1 HIS 404 HB3 -0.11 -0.06 0.01 -0.04 3.20 3.00 2iobB1 HIS 404 HD2 -0.18 0.34 -0.03 -0.04 6.97 7.05 2iobB1 HIS 404 HE1 -0.10 -0.08 -0.02 -0.04 7.75 7.50 2iobB1 GLN 405 H -0.05 0.51 -0.18 -0.55 8.47 8.21 2iobB1 GLN 405 HA -0.03 -0.02 0.47 -0.75 4.36 4.02 2iobB1 GLN 405 HB2 -0.06 -0.04 0.14 -0.04 2.15 2.14 2iobB1 GLN 405 HB3 -0.06 0.15 0.17 -0.04 2.02 2.24 2iobB1 GLN 405 HG2 -0.02 0.04 -0.12 -0.04 2.40 2.26 2iobB1 GLN 405 HG3 -0.03 -0.05 0.09 -0.04 2.39 2.36 2iobB1 GLN 405 HE21 -0.02 -0.10 -0.08 -0.04 6.97 6.72 2iobB1 GLN 405 HE22 -0.01 0.03 -0.04 -0.04 7.69 7.63 2iobB1 ALA 406 H 0.01 0.44 -0.31 -0.55 8.40 7.99 2iobB1 ALA 406 HA 0.00 0.06 0.61 -0.75 4.34 4.26 2iobB1 ALA 406 HB3 0.21 -0.01 0.10 -0.04 1.41 1.67 2iobB1 GLY 407 H -0.03 0.35 -0.34 -0.55 8.43 7.86 2iobB1 GLY 407 HA2 -0.14 -0.04 0.27 -0.51 4.01 3.59 2iobB1 GLY 407 HA3 -0.26 0.12 0.71 -0.51 4.01 4.07 2iobB1 PHE 408 H 0.08 0.36 -0.06 -0.55 8.34 8.16 2iobB1 PHE 408 HA -0.13 0.26 0.88 -0.75 4.62 4.87 2iobB1 PHE 408 HB2 -0.33 -0.16 -0.11 -0.04 3.15 2.50 2iobB1 PHE 408 HB3 -0.29 0.06 -0.00 -0.04 3.06 2.78 2iobB1 PHE 408 HD2 -0.17 0.09 -0.14 -0.04 7.28 7.02 2iobB1 PHE 408 HE2 -0.00 0.05 -0.52 -0.04 7.38 6.87 2iobB1 PHE 408 HZ 0.02 0.18 -0.11 -0.04 7.32 7.36 2iobB1 GLU 409 H -0.07 0.61 0.40 -0.55 8.60 8.99 2iobB1 GLU 409 HA -0.14 0.12 0.86 -0.75 4.29 4.37 2iobB1 GLU 409 HB2 -0.06 0.06 0.11 -0.04 2.09 2.16 2iobB1 GLU 409 HB3 -0.21 -0.06 0.03 -0.04 1.99 1.70 2iobB1 GLU 409 HG2 -0.08 -0.03 0.04 -0.04 2.34 2.23 2iobB1 GLU 409 HG3 -0.07 0.10 -0.12 -0.04 2.34 2.21 2iobB1 THR 410 H -0.25 0.21 0.19 -0.55 8.28 7.88 2iobB1 THR 410 HA -0.87 0.37 0.98 -0.75 4.39 4.12 2iobB1 THR 410 HB -0.31 0.01 0.08 -0.04 4.32 4.06 2iobB1 THR 410 HG23 -0.34 0.03 -0.37 -0.04 1.22 0.50 2iobB1 ARG 411 H -0.28 0.46 0.32 -0.55 8.46 8.40 2iobB1 ARG 411 HA 0.02 0.12 0.62 -0.75 4.34 4.34 2iobB1 ARG 411 HB2 0.33 0.06 -0.05 -0.04 1.90 2.19 2iobB1 ARG 411 HB3 0.10 -0.04 0.02 -0.04 1.80 1.84 2iobB1 ARG 411 HG2 0.12 0.12 -0.20 -0.04 1.67 1.68 2iobB1 ARG 411 HG3 0.10 0.01 0.09 -0.04 1.67 1.83 2iobB1 ARG 411 HD2 0.14 0.02 -0.02 -0.04 3.22 3.33 2iobB1 ARG 411 HD3 0.26 -0.03 -0.07 -0.04 3.22 3.34 2iobB1 ILE 412 H 0.02 0.17 0.14 -0.55 8.25 8.03 2iobB1 ILE 412 HA 0.04 0.23 0.90 -0.75 4.18 4.59 2iobB1 ILE 412 HB 0.01 -0.03 0.10 -0.04 1.89 1.93 2iobB1 ILE 412 HG12 -0.01 0.05 -0.08 -0.04 1.49 1.41 2iobB1 ILE 412 HG13 -0.04 -0.03 -0.10 -0.04 1.21 1.00 2iobB1 ILE 412 HG23 0.01 -0.01 -0.18 -0.04 0.93 0.71 2iobB1 ILE 412 HD13 -0.02 0.00 -0.11 -0.04 0.88 0.71 2iobB1 LEU 413 H 0.06 0.95 0.41 -0.55 8.37 9.25 2iobB1 LEU 413 HA 0.05 0.06 0.81 -0.75 4.35 4.52 2iobB1 LEU 413 HB2 0.09 -0.03 0.13 -0.04 1.64 1.79 2iobB1 LEU 413 HB3 0.05 0.03 -0.03 -0.04 1.64 1.65 2iobB1 LEU 413 HG 0.19 0.07 -0.27 -0.04 1.64 1.60 2iobB1 LEU 413 HD13 0.04 -0.00 -0.17 -0.04 0.93 0.76 2iobB1 LEU 413 HD23 0.14 0.02 -0.18 -0.04 0.89 0.83 2iobB1 ARG 414 H 0.02 0.18 0.07 -0.55 8.46 8.18 2iobB1 ARG 414 HA -0.03 0.19 0.71 -0.75 4.34 4.45 2iobB1 ARG 414 HB2 -0.00 -0.00 0.10 -0.04 1.90 1.96 2iobB1 ARG 414 HB3 -0.04 -0.05 -0.06 -0.04 1.80 1.62 2iobB1 ARG 414 HG2 -0.02 0.01 -0.34 -0.04 1.67 1.28 2iobB1 ARG 414 HG3 -0.00 0.05 -0.11 -0.04 1.67 1.56 2iobB1 ARG 414 HD2 -0.05 -0.00 -0.09 -0.04 3.22 3.04 2iobB1 ARG 414 HD3 -0.02 0.02 -0.08 -0.04 3.22 3.11 2iobB1 GLY 415 H 0.06 0.58 0.27 -0.55 8.43 8.79 2iobB1 GLY 415 HA2 0.34 -0.03 0.39 -0.51 4.01 4.20 2iobB1 GLY 415 HA3 0.10 0.04 0.52 -0.51 4.01 4.16 2iobB1 LEU 416 H 0.06 0.10 0.17 -0.55 8.37 8.16 2iobB1 LEU 416 HA -0.01 0.27 0.94 -0.75 4.35 4.79 2iobB1 LEU 416 HB2 -0.07 -0.04 0.09 -0.04 1.64 1.58 2iobB1 LEU 416 HB3 -0.13 0.24 0.13 -0.04 1.64 1.84 2iobB1 LEU 416 HG -0.06 0.09 -0.32 -0.04 1.64 1.32 2iobB1 LEU 416 HD13 -0.21 -0.06 -0.08 -0.04 0.93 0.53 2iobB1 LEU 416 HD23 -0.24 -0.02 -0.31 -0.04 0.89 0.29 2iobB1 ASP 417 H 0.00 0.07 0.01 -0.55 8.40 7.93 2iobB1 ASP 417 HA -0.05 0.15 0.34 -0.75 4.63 4.32 2iobB1 ASP 417 HB2 -0.00 -0.01 0.09 -0.04 2.71 2.75 2iobB1 ASP 417 HB3 -0.01 0.07 -0.02 -0.04 2.70 2.70 2iobB1 GLU 418 H -0.02 0.05 -0.21 -0.55 8.60 7.87 2iobB1 GLU 418 HA -0.03 0.24 0.72 -0.75 4.29 4.45 2iobB1 GLU 418 HB2 -0.01 -0.03 0.15 -0.04 2.09 2.15 2iobB1 GLU 418 HB3 -0.01 -0.02 0.06 -0.04 1.99 1.98 2iobB1 GLU 418 HG2 0.00 0.02 -0.06 -0.04 2.34 2.26 2iobB1 GLU 418 HG3 -0.02 0.03 -0.29 -0.04 2.34 2.01 2iobB1 LEU 419 H -0.11 0.29 -0.33 -0.55 8.37 7.67 2iobB1 LEU 419 HA -0.18 0.22 0.77 -0.75 4.35 4.40 2iobB1 LEU 419 HB2 -0.24 0.13 0.10 -0.04 1.64 1.58 2iobB1 LEU 419 HB3 -0.36 -0.00 -0.05 -0.04 1.64 1.19 2iobB1 LEU 419 HG -0.12 -0.15 -0.16 -0.04 1.64 1.18 2iobB1 LEU 419 HD13 -0.13 -0.02 -0.07 -0.04 0.93 0.67 2iobB1 LEU 419 HD23 -0.21 0.03 -0.16 -0.04 0.89 0.52 2iobB1 GLY 420 H -0.26 0.59 0.32 -0.55 8.43 8.53 2iobB1 GLY 420 HA2 -0.39 0.09 0.47 -0.51 4.01 3.67 2iobB1 GLY 420 HA3 -0.11 0.07 0.27 -0.51 4.01 3.73 2iobB1 TRP 421 H 0.31 0.16 0.09 -0.55 7.97 7.98 2iobB1 TRP 421 HA -0.01 0.25 0.74 -0.75 4.62 4.84 2iobB1 TRP 421 HB2 0.01 -0.07 -0.06 -0.04 3.23 3.07 2iobB1 TRP 421 HB3 0.00 -0.00 -0.19 -0.04 3.23 3.01 2iobB1 TRP 421 HD1 -0.00 0.05 -0.52 -0.04 7.22 6.71 2iobB1 TRP 421 HE1 -0.01 0.19 -0.13 -0.04 10.20 10.20 2iobB1 TRP 421 HE3 0.02 0.01 -0.16 -0.04 7.59 7.43 2iobB1 TRP 421 HZ2 -0.02 0.06 -0.30 -0.04 7.44 7.13 2iobB1 TRP 421 HZ3 0.05 -0.13 -0.47 -0.04 7.13 6.53 2iobB1 TRP 421 HH2 -0.04 0.16 -0.38 -0.04 7.19 6.88 2iobB1 ASP 422 H 0.18 0.53 0.16 -0.55 8.40 8.72 2iobB1 ASP 422 HA 0.08 0.21 0.67 -0.75 4.63 4.83 2iobB1 ASP 422 HB2 0.05 -0.07 0.19 -0.04 2.71 2.83 2iobB1 ASP 422 HB3 0.05 0.13 0.02 -0.04 2.70 2.87 2iobB1 ALA 423 H 0.05 0.17 0.16 -0.55 8.40 8.22 2iobB1 ALA 423 HA 0.04 0.15 0.43 -0.75 4.34 4.20 2iobB1 ALA 423 HB3 0.02 0.01 0.11 -0.04 1.41 1.51 2iobB1 ALA 424 H 0.04 0.01 -0.20 -0.55 8.40 7.71 2iobB1 ALA 424 HA 0.01 0.22 0.64 -0.75 4.34 4.45 2iobB1 ALA 424 HB3 0.03 0.00 0.07 -0.04 1.41 1.47 2iobB1 GLY 425 H 0.06 0.42 -0.66 -0.55 8.43 7.70 2iobB1 GLY 425 HA2 0.00 0.14 0.27 -0.51 4.01 3.91 2iobB1 GLY 425 HA3 -0.04 0.10 0.44 -0.51 4.01 4.00 2iobB1 GLN 426 H 0.13 -0.10 -0.26 -0.55 8.47 7.69 2iobB1 GLN 426 HA 0.17 0.21 0.77 -0.75 4.36 4.76 2iobB1 GLN 426 HB2 0.08 -0.15 0.02 -0.04 2.15 2.05 2iobB1 GLN 426 HB3 0.07 0.11 -0.02 -0.04 2.02 2.15 2iobB1 GLN 426 HG2 0.06 0.07 -0.22 -0.04 2.40 2.27 2iobB1 GLN 426 HG3 0.05 -0.03 -0.05 -0.04 2.39 2.33 2iobB1 GLN 426 HE21 0.06 -0.01 -0.01 -0.04 6.97 6.96 2iobB1 GLN 426 HE22 0.05 0.05 -0.07 -0.04 7.69 7.68 2iobB1 LEU 427 H 0.15 0.18 0.14 -0.55 8.37 8.29 2iobB1 LEU 427 HA -0.17 0.21 0.56 -0.75 4.35 4.19 2iobB1 LEU 427 HB2 -0.04 0.04 0.16 -0.04 1.64 1.76 2iobB1 LEU 427 HB3 -0.20 -0.01 -0.03 -0.04 1.64 1.36 2iobB1 LEU 427 HG 0.13 0.01 0.00 -0.04 1.64 1.75 2iobB1 LEU 427 HD13 0.01 0.05 0.03 -0.04 0.93 0.99 2iobB1 LEU 427 HD23 -0.61 -0.00 -0.19 -0.04 0.89 0.05 2iobB1 ILE 428 H -0.17 0.82 0.37 -0.55 8.25 8.73 2iobB1 ILE 428 HA -0.09 0.17 0.67 -0.75 4.18 4.18 2iobB1 ILE 428 HB -0.04 -0.11 -0.33 -0.04 1.89 1.37 2iobB1 ILE 428 HG12 -0.01 -0.02 -0.47 -0.04 1.49 0.94 2iobB1 ILE 428 HG13 -0.06 0.02 -0.27 -0.04 1.21 0.86 2iobB1 ILE 428 HG23 -0.00 0.00 -0.41 -0.04 0.93 0.48 2iobB1 ILE 428 HD13 0.01 -0.02 -0.23 -0.04 0.88 0.61 2iobB1 ASP 429 H -0.08 0.48 0.06 -0.55 8.40 8.31 2iobB1 ASP 429 HA -0.10 0.22 0.67 -0.75 4.63 4.66 2iobB1 ASP 429 HB2 0.05 -0.11 0.11 -0.04 2.71 2.72 2iobB1 ASP 429 HB3 -0.08 0.09 -0.03 -0.04 2.70 2.63 2iobB1 GLY 430 H 0.01 0.09 0.12 -0.55 8.43 8.10 2iobB1 GLY 430 HA2 -0.02 0.23 0.41 -0.51 4.01 4.12 2iobB1 GLY 430 HA3 0.00 0.00 0.34 -0.51 4.01 3.85 2iobB1 GLU 431 H 0.01 0.03 -0.16 -0.55 8.60 7.93 2iobB1 GLU 431 HA -0.00 0.17 0.55 -0.75 4.29 4.25 2iobB1 GLU 431 HB2 -0.02 -0.08 -0.06 -0.04 2.09 1.89 2iobB1 GLU 431 HB3 -0.02 0.06 0.12 -0.04 1.99 2.11 2iobB1 GLU 431 HG2 0.02 -0.08 0.01 -0.04 2.34 2.25 2iobB1 GLU 431 HG3 0.01 0.04 -0.00 -0.04 2.34 2.35 2iobB1 GLY 432 H -0.02 0.43 -0.78 -0.55 8.43 7.52 2iobB1 GLY 432 HA2 -0.02 0.10 0.14 -0.51 4.01 3.72 2iobB1 GLY 432 HA3 -0.01 0.06 0.26 -0.51 4.01 3.81 2iobB1 ARG 433 H -0.03 -0.11 -0.47 -0.55 8.46 7.29 2iobB1 ARG 433 HA -0.06 0.17 0.66 -0.75 4.34 4.35 2iobB1 ARG 433 HB2 -0.13 0.03 -0.09 -0.04 1.90 1.68 2iobB1 ARG 433 HB3 -0.06 -0.14 -0.03 -0.04 1.80 1.53 2iobB1 ARG 433 HG2 -0.15 0.23 -0.21 -0.04 1.67 1.50 2iobB1 ARG 433 HG3 -0.23 0.00 -0.02 -0.04 1.67 1.38 2iobB1 ARG 433 HD2 -0.67 -0.07 -0.10 -0.04 3.22 2.34 2iobB1 ARG 433 HD3 -0.80 0.00 -0.15 -0.04 3.22 2.22 2iobB1 LEU 434 H -0.04 0.12 0.12 -0.55 8.37 8.03 2iobB1 LEU 434 HA -0.03 0.21 0.43 -0.75 4.35 4.20 2iobB1 LEU 434 HB2 0.00 -0.05 0.07 -0.04 1.64 1.62 2iobB1 LEU 434 HB3 0.02 0.09 -0.11 -0.04 1.64 1.59 2iobB1 LEU 434 HG 0.00 -0.03 0.05 -0.04 1.64 1.63 2iobB1 LEU 434 HD13 0.02 0.00 -0.01 -0.04 0.93 0.90 2iobB1 LEU 434 HD23 0.02 0.01 -0.08 -0.04 0.89 0.80 2iobB1 VAL 435 H -0.08 0.60 0.15 -0.55 8.24 8.36 2iobB1 VAL 435 HA -0.14 0.10 0.77 -0.75 4.13 4.11 2iobB1 VAL 435 HB -0.17 0.01 -0.02 -0.04 2.12 1.91 2iobB1 VAL 435 HG13 -0.23 -0.01 -0.20 -0.04 0.97 0.49 2iobB1 VAL 435 HG23 -0.56 -0.01 -0.28 -0.04 0.95 0.06 2iobB1 ASN 436 H 0.18 0.11 0.14 -0.55 8.53 8.41 2iobB1 ASN 436 HA 0.08 0.18 0.72 -0.75 4.76 4.98 2iobB1 ASN 436 HB2 0.10 0.25 0.28 -0.04 2.88 3.47 2iobB1 ASN 436 HB3 0.07 -0.03 -0.19 -0.04 2.79 2.61 2iobB1 ASN 436 HD21 0.10 -0.03 -0.03 -0.04 7.03 7.03 2iobB1 ASN 436 HD22 0.08 -0.01 -0.05 -0.04 7.74 7.72 2iobB1 CYS 437 H 0.22 0.04 0.14 -0.55 8.50 8.36 2iobB1 CYS 437 HA 0.21 0.32 0.90 -0.75 4.58 5.26 2iobB1 CYS 437 HB2 0.22 0.02 -0.04 -0.04 2.97 3.12 2iobB1 CYS 437 HB3 0.21 0.12 0.25 -0.04 2.97 3.52 2iobB1 VAL 438 H 0.21 0.68 0.21 -0.55 8.24 8.79 2iobB1 VAL 438 HA 0.20 0.33 1.24 -0.75 4.13 5.14 2iobB1 VAL 438 HB 0.05 -0.00 -0.04 -0.04 2.12 2.09 2iobB1 VAL 438 HG13 -0.00 -0.01 -0.29 -0.04 0.97 0.63 2iobB1 VAL 438 HG23 0.06 -0.03 -0.27 -0.04 0.95 0.67 2iobB1 TRP 439 H 0.25 0.52 0.28 -0.55 7.97 8.48 2iobB1 TRP 439 HA 0.28 0.32 1.03 -0.75 4.62 5.49 2iobB1 TRP 439 HB2 0.00 0.04 0.01 -0.04 3.23 3.24 2iobB1 TRP 439 HB3 -0.10 -0.09 0.07 -0.04 3.23 3.06 2iobB1 TRP 439 HD1 0.47 -0.02 -0.04 -0.04 7.22 7.59 2iobB1 TRP 439 HE1 0.14 -0.03 -0.03 -0.04 10.20 10.24 2iobB1 TRP 439 HE3 -0.11 -0.08 -0.16 -0.04 7.59 7.20 2iobB1 TRP 439 HZ2 -0.07 0.01 -0.06 -0.04 7.44 7.29 2iobB1 TRP 439 HZ3 -0.18 -0.12 -0.12 -0.04 7.13 6.66 2iobB1 TRP 439 HH2 -0.65 -0.10 -0.21 -0.04 7.19 6.19 2iobB1 LYS 440 H -0.70 0.62 0.33 -0.55 8.42 8.11 2iobB1 LYS 440 HA -0.42 0.15 1.13 -0.75 4.32 4.44 2iobB1 LYS 440 HB2 -0.14 -0.20 0.11 -0.04 1.87 1.61 2iobB1 LYS 440 HB3 -0.26 -0.02 -0.05 -0.04 1.79 1.42 2iobB1 LYS 440 HG2 -0.43 0.23 0.17 -0.04 1.46 1.38 2iobB1 LYS 440 HG3 -0.44 0.09 -0.18 -0.04 1.46 0.89 2iobB1 LYS 440 HD2 -0.56 -0.11 -0.18 -0.04 1.69 0.79 2iobB1 LYS 440 HD3 -0.70 -0.02 -0.14 -0.04 1.68 0.78 2iobB1 LYS 440 HE2 -2.30 -0.13 -0.17 -0.04 2.99 0.35 2iobB1 LYS 440 HE3 -0.85 0.18 -0.17 -0.04 2.99 2.10 2iobB1 THR 441 H -0.46 0.58 0.44 -0.55 8.28 8.29 2iobB1 THR 441 HA -0.54 0.25 0.87 -0.75 4.39 4.21 2iobB1 THR 441 HB -0.17 -0.04 0.12 -0.04 4.32 4.19 2iobB1 THR 441 HG23 -0.15 0.02 -0.07 -0.04 1.22 0.98 2iobB1 TRP 442 H -0.12 0.08 0.10 -0.55 7.97 7.48 2iobB1 TRP 442 HA -0.20 -0.05 0.37 -0.75 4.62 4.00 2iobB1 TRP 442 HB2 -0.36 0.05 -0.05 -0.04 3.23 2.83 2iobB1 TRP 442 HB3 -0.25 0.06 -0.06 -0.04 3.23 2.93 2iobB1 TRP 442 HD1 -0.25 0.12 -0.10 -0.04 7.22 6.95 2iobB1 TRP 442 HE1 -0.13 0.11 -0.31 -0.04 10.20 9.83 2iobB1 TRP 442 HE3 -0.13 0.02 0.01 -0.04 7.59 7.46 2iobB1 TRP 442 HZ2 -0.09 -0.03 -0.07 -0.04 7.44 7.21 2iobB1 TRP 442 HZ3 -0.07 0.05 0.00 -0.04 7.13 7.06 2iobB1 TRP 442 HH2 -0.07 0.00 0.03 -0.04 7.19 7.11 2iobB1 ALA 443 H 0.07 0.04 0.17 -0.55 8.40 8.14 2iobB1 ALA 443 HA -0.06 0.19 0.49 -0.75 4.34 4.20 2iobB1 ALA 443 HB3 -0.01 0.00 0.12 -0.04 1.41 1.48 2iobB1 TRP 444 H 0.04 0.24 0.08 -0.55 7.97 7.78 2iobB1 TRP 444 HA -0.28 0.12 0.38 -0.75 4.62 4.09 2iobB1 TRP 444 HB2 -0.37 -0.02 0.07 -0.04 3.23 2.87 2iobB1 TRP 444 HB3 -1.03 0.02 -0.13 -0.04 3.23 2.05 2iobB1 TRP 444 HD1 -0.14 -0.06 -0.09 -0.04 7.22 6.90 2iobB1 TRP 444 HE1 -0.10 0.47 -0.40 -0.04 10.20 10.13 2iobB1 TRP 444 HE3 -0.06 -0.15 -0.04 -0.04 7.59 7.30 2iobB1 TRP 444 HZ2 -0.02 0.06 -0.07 -0.04 7.44 7.37 2iobB1 TRP 444 HZ3 0.07 -0.04 -0.18 -0.04 7.13 6.94 2iobB1 TRP 444 HH2 0.02 0.30 -0.07 -0.04 7.19 7.40 2iobB1 GLU 445 H -0.16 0.12 -0.22 -0.55 8.60 7.79 2iobB1 GLU 445 HA -0.42 0.13 0.40 -0.75 4.29 3.64 2iobB1 GLU 445 HB2 -0.02 0.08 0.08 -0.04 2.09 2.19 2iobB1 GLU 445 HB3 -0.02 -0.05 0.01 -0.04 1.99 1.88 2iobB1 GLU 445 HG2 0.06 -0.04 -0.13 -0.04 2.34 2.18 2iobB1 GLU 445 HG3 0.14 0.11 0.05 -0.04 2.34 2.60 2iobB1 THR 446 H -0.07 0.28 -0.53 -0.55 8.28 7.41 2iobB1 THR 446 HA 0.00 0.08 0.32 -0.75 4.39 4.04 2iobB1 THR 446 HB -0.02 0.18 0.06 -0.04 4.32 4.51 2iobB1 THR 446 HG23 -0.00 -0.01 -0.06 -0.04 1.22 1.11 2iobB1 ALA 447 H -0.13 0.34 -0.30 -0.55 8.40 7.77 2iobB1 ALA 447 HA -0.09 -0.07 0.46 -0.75 4.34 3.89 2iobB1 ALA 447 HB3 0.02 0.04 0.00 -0.04 1.41 1.44 2iobB1 PHE 448 H 0.04 0.39 -0.14 -0.55 8.34 8.08 2iobB1 PHE 448 HA 0.07 0.03 0.32 -0.75 4.62 4.28 2iobB1 PHE 448 HB2 0.08 0.11 0.18 -0.04 3.15 3.48 2iobB1 PHE 448 HB3 0.06 0.02 0.04 -0.04 3.06 3.15 2iobB1 PHE 448 HD2 0.12 0.01 -0.07 -0.04 7.28 7.30 2iobB1 PHE 448 HE2 -0.03 0.03 -0.09 -0.04 7.38 7.25 2iobB1 PHE 448 HZ -0.30 0.07 -0.07 -0.04 7.32 6.97 2iobB1 ASP 449 H 0.13 0.47 -0.28 -0.55 8.40 8.18 2iobB1 ASP 449 HA 0.08 0.05 0.42 -0.75 4.63 4.43 2iobB1 ASP 449 HB2 0.04 0.13 0.09 -0.04 2.71 2.93 2iobB1 ASP 449 HB3 0.04 -0.04 0.05 -0.04 2.70 2.70 2iobB1 GLN 450 H 0.05 0.34 -0.45 -0.55 8.47 7.86 2iobB1 GLN 450 HA -0.00 0.10 0.61 -0.75 4.36 4.32 2iobB1 GLN 450 HB2 -0.01 0.10 0.07 -0.04 2.15 2.27 2iobB1 GLN 450 HB3 -0.03 -0.05 0.13 -0.04 2.02 2.03 2iobB1 GLN 450 HG2 -0.04 0.01 0.01 -0.04 2.40 2.34 2iobB1 GLN 450 HG3 -0.04 0.23 0.13 -0.04 2.39 2.67 2iobB1 GLN 450 HE21 -0.20 -0.20 0.07 -0.04 6.97 6.60 2iobB1 GLN 450 HE22 -0.11 0.10 0.02 -0.04 7.69 7.67 2iobB1 ILE 451 H 0.05 0.52 -0.32 -0.55 8.25 7.95 2iobB1 ILE 451 HA -0.04 0.20 0.92 -0.75 4.18 4.51 2iobB1 ILE 451 HB -0.06 -0.05 0.15 -0.04 1.89 1.89 2iobB1 ILE 451 HG12 0.07 0.10 0.00 -0.04 1.49 1.62 2iobB1 ILE 451 HG13 -0.01 0.01 -0.16 -0.04 1.21 1.00 2iobB1 ILE 451 HG23 -0.03 -0.01 -0.24 -0.04 0.93 0.61 2iobB1 ILE 451 HD13 0.02 -0.02 -0.09 -0.04 0.88 0.75 2iobB1 ARG 452 H 0.02 0.27 -0.13 -0.55 8.46 8.07 2iobB1 ARG 452 HA -0.01 0.07 0.47 -0.75 4.34 4.11 2iobB1 ARG 452 HB2 0.04 0.06 0.16 -0.04 1.90 2.13 2iobB1 ARG 452 HB3 0.02 0.00 0.03 -0.04 1.80 1.81 2iobB1 ARG 452 HG2 0.01 -0.02 0.04 -0.04 1.67 1.66 2iobB1 ARG 452 HG3 0.02 -0.00 0.06 -0.04 1.67 1.71 2iobB1 ARG 452 HD2 0.04 -0.01 0.01 -0.04 3.22 3.22 2iobB1 ARG 452 HD3 0.04 0.02 -0.01 -0.04 3.22 3.23 2iobB1 GLU 453 H -0.02 0.07 -0.42 -0.55 8.60 7.68 2iobB1 GLU 453 HA -0.01 0.22 0.78 -0.75 4.29 4.52 2iobB1 GLU 453 HB2 -0.01 0.00 -0.01 -0.04 2.09 2.03 2iobB1 GLU 453 HB3 0.00 -0.01 0.10 -0.04 1.99 2.04 2iobB1 GLU 453 HG2 -0.00 0.03 -0.03 -0.04 2.34 2.30 2iobB1 GLU 453 HG3 0.00 -0.02 -0.15 -0.04 2.34 2.13 2iobB1 VAL 454 H -0.06 0.43 -0.36 -0.55 8.24 7.70 2iobB1 VAL 454 HA -0.05 0.05 0.64 -0.75 4.13 4.03 2iobB1 VAL 454 HB -0.12 0.10 0.15 -0.04 2.12 2.21 2iobB1 VAL 454 HG13 -0.36 -0.00 -0.15 -0.04 0.97 0.42 2iobB1 VAL 454 HG23 -0.20 -0.03 0.01 -0.04 0.95 0.69 2iobB1 SER 455 H 0.12 0.17 0.18 -0.55 8.46 8.38 2iobB1 SER 455 HA -0.03 0.12 0.51 -0.75 4.49 4.34 2iobB1 SER 455 HB2 0.02 0.16 0.11 -0.04 3.95 4.19 2iobB1 SER 455 HB3 0.07 -0.04 0.19 -0.04 3.93 4.11 2iobB1 ASP 456 H -0.08 0.15 0.17 -0.55 8.40 8.09 2iobB1 ASP 456 HA 0.00 0.29 0.48 -0.75 4.63 4.65 2iobB1 ASP 456 HB2 -0.09 0.15 0.05 -0.04 2.71 2.79 2iobB1 ASP 456 HB3 -0.16 -0.12 -0.07 -0.04 2.70 2.32 2iobB1 ARG 457 H -0.02 -0.10 -0.35 -0.55 8.46 7.43 2iobB1 ARG 457 HA -0.03 0.22 0.65 -0.75 4.34 4.42 2iobB1 ARG 457 HB2 -0.03 -0.02 -0.03 -0.04 1.90 1.77 2iobB1 ARG 457 HB3 -0.03 0.04 0.05 -0.04 1.80 1.81 2iobB1 ARG 457 HG2 -0.05 0.04 -0.13 -0.04 1.67 1.49 2iobB1 ARG 457 HG3 -0.05 -0.09 0.01 -0.04 1.67 1.50 2iobB1 ARG 457 HD2 -0.05 0.00 -0.02 -0.04 3.22 3.12 2iobB1 ARG 457 HD3 -0.03 -0.00 -0.01 -0.04 3.22 3.13 2iobB1 GLU 458 H 0.02 -0.05 -0.21 -0.55 8.60 7.82 2iobB1 GLU 458 HA -0.12 0.15 0.67 -0.75 4.29 4.25 2iobB1 GLU 458 HB2 -0.06 -0.05 0.06 -0.04 2.09 2.01 2iobB1 GLU 458 HB3 0.08 -0.03 0.16 -0.04 1.99 2.16 2iobB1 GLU 458 HG2 -1.06 0.03 -0.25 -0.04 2.34 1.03 2iobB1 GLU 458 HG3 -0.35 0.01 0.02 -0.04 2.34 1.98 2iobB1 PHE 459 H 0.22 0.45 0.05 -0.55 8.34 8.51 2iobB1 PHE 459 HA -0.02 0.15 0.93 -0.75 4.62 4.92 2iobB1 PHE 459 HB2 -0.03 0.03 -0.01 -0.04 3.15 3.10 2iobB1 PHE 459 HB3 -0.02 0.13 0.01 -0.04 3.06 3.15 2iobB1 PHE 459 HD2 -0.02 -0.00 0.04 -0.04 7.28 7.26 2iobB1 PHE 459 HE2 -0.01 -0.02 0.02 -0.04 7.38 7.33 2iobB1 PHE 459 HZ -0.01 -0.01 0.00 -0.04 7.32 7.26 2iobB1 ALA 460 H 0.10 0.11 0.14 -0.55 8.40 8.20 2iobB1 ALA 460 HA 0.03 0.14 0.41 -0.75 4.34 4.17 2iobB1 ALA 460 HB3 0.03 -0.01 0.08 -0.04 1.41 1.47 2iobB1 ALA 461 H 0.13 0.17 -0.07 -0.55 8.40 8.08 2iobB1 ALA 461 HA 0.03 0.19 0.54 -0.75 4.34 4.34 2iobB1 ALA 461 HB3 0.04 0.02 -0.08 -0.04 1.41 1.34 2iobB1 VAL 462 H 0.00 0.16 0.07 -0.55 8.24 7.92 2iobB1 VAL 462 HA -0.11 0.10 0.38 -0.75 4.13 3.75 2iobB1 VAL 462 HB 0.01 0.03 0.11 -0.04 2.12 2.23 2iobB1 VAL 462 HG13 -0.03 -0.02 -0.16 -0.04 0.97 0.71 2iobB1 VAL 462 HG23 -0.02 0.01 -0.06 -0.04 0.95 0.84 2iobB1 PRO 463 HA -0.02 0.15 0.52 -0.51 4.44 4.58 2iobB1 PRO 463 HB2 -0.10 -0.00 0.19 -0.04 2.28 2.32 2iobB1 PRO 463 HB3 -0.09 0.02 0.11 -0.04 2.02 2.02 2iobB1 PRO 463 HG2 -0.33 -0.01 0.04 -0.04 2.03 1.69 2iobB1 PRO 463 HG3 -1.16 -0.01 0.08 -0.04 2.03 0.90 2iobB1 PRO 463 HD2 -0.31 0.01 0.14 -0.04 3.68 3.47 2iobB1 PRO 463 HD3 -0.49 0.27 0.23 -0.04 3.65 3.61 2iobB1 ILE 464 H -0.01 0.47 -0.24 -0.55 8.25 7.92 2iobB1 ILE 464 HA 0.01 -0.07 0.24 -0.75 4.18 3.61 2iobB1 ILE 464 HB 0.09 0.04 0.00 -0.04 1.89 1.98 2iobB1 ILE 464 HG12 0.03 0.12 0.04 -0.04 1.49 1.64 2iobB1 ILE 464 HG13 0.03 -0.03 -0.18 -0.04 1.21 0.99 2iobB1 ILE 464 HG23 0.04 -0.02 -0.16 -0.04 0.93 0.74 2iobB1 ILE 464 HD13 0.08 0.03 -0.11 -0.04 0.88 0.83 2iobB1 ARG 465 H 0.10 -0.03 0.15 -0.55 8.46 8.13 2iobB1 ARG 465 HA -0.09 0.14 0.60 -0.75 4.34 4.23 2iobB1 ARG 465 HB2 0.37 -0.06 0.03 -0.04 1.90 2.20 2iobB1 ARG 465 HB3 -0.10 0.10 0.12 -0.04 1.80 1.89 2iobB1 ARG 465 HG2 0.03 0.11 0.02 -0.04 1.67 1.79 2iobB1 ARG 465 HG3 0.11 -0.11 0.10 -0.04 1.67 1.72 2iobB1 ARG 465 HD2 0.14 0.05 0.07 -0.04 3.22 3.43 2iobB1 ARG 465 HD3 0.08 0.00 0.03 -0.04 3.22 3.29 2iobB1 THR 466 H -0.47 0.16 0.18 -0.55 8.28 7.60 2iobB1 THR 466 HA -0.62 0.20 0.68 -0.75 4.39 3.90 2iobB1 THR 466 HB -0.26 0.12 0.25 -0.04 4.32 4.39 2iobB1 THR 466 HG23 -0.05 0.02 -0.18 -0.04 1.22 0.97 2iobB1 GLY 467 H -1.42 0.18 0.09 -0.55 8.43 6.74 2iobB1 GLY 467 HA2 -0.97 0.04 0.30 -0.51 4.01 2.87 2iobB1 GLY 467 HA3 -0.53 0.13 0.37 -0.51 4.01 3.47 2iobB1 HIS 468 H 0.04 0.30 0.10 -0.55 8.41 8.30 2iobB1 HIS 468 HA -0.07 0.19 0.50 -0.75 4.63 4.49 2iobB1 HIS 468 HB2 0.05 0.24 -0.16 -0.04 3.26 3.34 2iobB1 HIS 468 HB3 0.39 -0.18 -0.15 -0.04 3.20 3.22 2iobB1 HIS 468 HD2 0.04 0.07 0.08 -0.04 6.97 7.11 2iobB1 HIS 468 HE1 0.05 0.05 -0.00 -0.04 7.75 7.80 2iobB1 PRO 469 HA -0.07 0.10 0.44 -0.51 4.44 4.40 2iobB1 PRO 469 HB2 -0.33 -0.06 0.13 -0.04 2.28 1.99 2iobB1 PRO 469 HB3 -0.13 0.07 0.09 -0.04 2.02 2.01 2iobB1 PRO 469 HG2 -0.36 0.06 0.10 -0.04 2.03 1.80 2iobB1 PRO 469 HG3 -0.19 0.07 0.10 -0.04 2.03 1.97 2iobB1 PRO 469 HD2 -1.12 0.13 0.24 -0.04 3.68 2.89 2iobB1 PRO 469 HD3 -0.26 0.18 0.12 -0.04 3.65 3.64 2iobB1 GLN 470 H 0.30 0.07 -0.17 -0.55 8.47 8.12 2iobB1 GLN 470 HA 0.11 0.22 0.68 -0.75 4.36 4.62 2iobB1 GLN 470 HB2 0.26 -0.04 0.03 -0.04 2.15 2.36 2iobB1 GLN 470 HB3 0.11 0.05 0.11 -0.04 2.02 2.26 2iobB1 GLN 470 HG2 0.07 0.06 -0.05 -0.04 2.40 2.44 2iobB1 GLN 470 HG3 0.07 -0.11 -0.22 -0.04 2.39 2.09 2iobB1 GLN 470 HE21 0.10 0.02 -0.00 -0.04 6.97 7.05 2iobB1 GLN 470 HE22 0.06 -0.06 -0.00 -0.04 7.69 7.65 2iobB1 ASN 471 H 0.29 0.62 -0.52 -0.55 8.53 8.38 2iobB1 ASN 471 HA 0.46 -0.06 0.25 -0.75 4.76 4.66 2iobB1 ASN 471 HB2 0.14 0.00 -0.15 -0.04 2.88 2.83 2iobB1 ASN 471 HB3 0.09 0.14 0.17 -0.04 2.79 3.15 2iobB1 ASN 471 HD21 0.08 -0.03 0.07 -0.04 7.03 7.11 2iobB1 ASN 471 HD22 0.06 0.05 0.02 -0.04 7.74 7.82 2iobB1 GLU 472 H 0.25 -0.08 -0.38 -0.55 8.60 7.84 2iobB1 GLU 472 HA -0.07 0.31 0.85 -0.75 4.29 4.63 2iobB1 GLU 472 HB2 -0.65 -0.14 -0.00 -0.04 2.09 1.27 2iobB1 GLU 472 HB3 -0.25 -0.02 -0.10 -0.04 1.99 1.57 2iobB1 GLU 472 HG2 -0.05 0.05 -0.08 -0.04 2.34 2.23 2iobB1 GLU 472 HG3 0.03 0.14 -0.21 -0.04 2.34 2.26 2iobB1 VAL 473 H -0.26 0.42 0.02 -0.55 8.24 7.87 2iobB1 VAL 473 HA -0.18 0.05 0.53 -0.75 4.13 3.77 2iobB1 VAL 473 HB -0.41 0.07 -0.02 -0.04 2.12 1.73 2iobB1 VAL 473 HG13 -0.38 0.01 -0.28 -0.04 0.97 0.27 2iobB1 VAL 473 HG23 -1.54 0.05 -0.41 -0.04 0.95 -1.00 2iobB1 ARG 474 H -0.02 0.14 0.12 -0.55 8.46 8.14 2iobB1 ARG 474 HA -0.15 0.19 0.75 -0.75 4.34 4.38 2iobB1 ARG 474 HB2 -0.04 -0.03 0.07 -0.04 1.90 1.85 2iobB1 ARG 474 HB3 -0.11 -0.08 0.09 -0.04 1.80 1.66 2iobB1 ARG 474 HG2 -0.08 0.02 -0.03 -0.04 1.67 1.53 2iobB1 ARG 474 HG3 -0.06 0.09 -0.11 -0.04 1.67 1.54 2iobB1 ARG 474 HD2 -0.04 0.01 0.02 -0.04 3.22 3.17 2iobB1 ARG 474 HD3 -0.03 0.05 -0.00 -0.04 3.22 3.20 2iobB1 LEU 475 H -0.30 0.18 0.10 -0.55 8.37 7.81 2iobB1 LEU 475 HA -0.40 0.13 0.32 -0.75 4.35 3.65 2iobB1 LEU 475 HB2 -0.92 0.02 0.06 -0.04 1.64 0.76 2iobB1 LEU 475 HB3 -0.47 -0.01 0.07 -0.04 1.64 1.19 2iobB1 LEU 475 HG -0.46 0.02 -0.34 -0.04 1.64 0.82 2iobB1 LEU 475 HD13 -0.86 0.01 -0.06 -0.04 0.93 -0.01 2iobB1 LEU 475 HD23 -0.87 0.01 -0.17 -0.04 0.89 -0.18 2iobB1 ILE 476 H -0.15 0.12 -0.14 -0.55 8.25 7.52 2iobB1 ILE 476 HA -0.01 0.06 0.30 -0.75 4.18 3.77 2iobB1 ILE 476 HB 0.00 0.08 0.10 -0.04 1.89 2.02 2iobB1 ILE 476 HG12 0.05 0.04 -0.13 -0.04 1.49 1.41 2iobB1 ILE 476 HG13 0.07 0.00 -0.07 -0.04 1.21 1.17 2iobB1 ILE 476 HG23 -0.01 -0.00 -0.16 -0.04 0.93 0.71 2iobB1 ILE 476 HD13 0.21 0.04 -0.12 -0.04 0.88 0.97 2iobB1 ASP 477 H -0.04 0.23 -0.58 -0.55 8.40 7.46 2iobB1 ASP 477 HA 0.08 0.09 0.37 -0.75 4.63 4.41 2iobB1 ASP 477 HB2 0.05 0.10 0.04 -0.04 2.71 2.86 2iobB1 ASP 477 HB3 0.31 0.20 0.06 -0.04 2.70 3.24 2iobB1 VAL 478 H -0.08 0.34 -0.25 -0.55 8.24 7.70 2iobB1 VAL 478 HA -0.02 0.17 0.70 -0.75 4.13 4.22 2iobB1 VAL 478 HB -0.16 0.02 0.10 -0.04 2.12 2.04 2iobB1 VAL 478 HG13 -0.08 0.00 -0.21 -0.04 0.97 0.63 2iobB1 VAL 478 HG23 -0.18 0.01 -0.14 -0.04 0.95 0.60 2iobB1 LEU 479 H -0.11 0.42 0.06 -0.55 8.37 8.19 2iobB1 LEU 479 HA -0.04 0.08 0.21 -0.75 4.35 3.84 2iobB1 LEU 479 HB2 0.01 -0.04 -0.03 -0.04 1.64 1.54 2iobB1 LEU 479 HB3 -0.42 0.02 -0.04 -0.04 1.64 1.17 2iobB1 LEU 479 HG -0.36 0.08 -0.08 -0.04 1.64 1.24 2iobB1 LEU 479 HD13 -1.05 -0.02 -0.13 -0.04 0.93 -0.31 2iobB1 LEU 479 HD23 -0.34 -0.01 -0.13 -0.04 0.89 0.36 2iobB1 LEU 480 H 0.11 0.28 -0.40 -0.55 8.37 7.80 2iobB1 LEU 480 HA 0.21 0.15 0.68 -0.75 4.35 4.63 2iobB1 LEU 480 HB2 0.12 0.25 0.07 -0.04 1.64 2.04 2iobB1 LEU 480 HB3 0.10 -0.02 0.03 -0.04 1.64 1.71 2iobB1 LEU 480 HG 0.14 -0.07 -0.05 -0.04 1.64 1.63 2iobB1 LEU 480 HD13 0.07 -0.00 0.03 -0.04 0.93 0.99 2iobB1 LEU 480 HD23 0.34 -0.00 -0.18 -0.04 0.89 1.01 2iobB1 ARG 481 H 0.09 0.32 -0.49 -0.55 8.46 7.83 2iobB1 ARG 481 HA 0.09 0.07 0.50 -0.75 4.34 4.24 2iobB1 ARG 481 HB2 0.09 0.24 0.19 -0.04 1.90 2.38 2iobB1 ARG 481 HB3 0.07 -0.00 0.14 -0.04 1.80 1.97 2iobB1 ARG 481 HG2 0.10 -0.05 0.08 -0.04 1.67 1.76 2iobB1 ARG 481 HG3 0.09 -0.23 -0.02 -0.04 1.67 1.46 2iobB1 ARG 481 HD2 0.10 0.03 0.11 -0.04 3.22 3.41 2iobB1 ARG 481 HD3 0.17 0.10 0.10 -0.04 3.22 3.55 2iobB1 PRO 482 HA 0.08 0.12 0.42 -0.51 4.44 4.54 2iobB1 PRO 482 HB2 0.06 -0.03 0.04 -0.04 2.28 2.31 2iobB1 PRO 482 HB3 0.06 0.02 0.09 -0.04 2.02 2.15 2iobB1 PRO 482 HG2 0.05 -0.01 0.10 -0.04 2.03 2.14 2iobB1 PRO 482 HG3 0.06 0.07 0.12 -0.04 2.03 2.25 2iobB1 PRO 482 HD2 0.07 0.02 0.22 -0.04 3.68 3.95 2iobB1 PRO 482 HD3 0.07 0.19 0.31 -0.04 3.65 4.17 2iobB1 GLU 483 H 0.07 0.04 -0.21 -0.55 8.60 7.96 2iobB1 GLU 483 HA 0.07 0.11 0.51 -0.75 4.29 4.22 2iobB1 GLU 483 HB2 0.07 -0.01 0.03 -0.04 2.09 2.14 2iobB1 GLU 483 HB3 0.07 -0.01 0.13 -0.04 1.99 2.14 2iobB1 GLU 483 HG2 0.06 -0.03 0.03 -0.04 2.34 2.35 2iobB1 GLU 483 HG3 0.06 0.02 -0.00 -0.04 2.34 2.37 2iobB1 VAL 484 H 0.08 0.50 -0.46 -0.55 8.24 7.81 2iobB1 VAL 484 HA 0.09 0.14 0.92 -0.75 4.13 4.52 2iobB1 VAL 484 HB 0.07 0.20 0.02 -0.04 2.12 2.37 2iobB1 VAL 484 HG13 0.06 -0.09 -0.51 -0.04 0.97 0.39 2iobB1 VAL 484 HG23 0.04 -0.03 -0.14 -0.04 0.95 0.77 2iobB1 LEU 485 H 0.12 0.80 0.20 -0.55 8.37 8.94 2iobB1 LEU 485 HA 0.06 0.12 0.72 -0.75 4.35 4.49 2iobB1 LEU 485 HB2 0.13 0.07 0.12 -0.04 1.64 1.92 2iobB1 LEU 485 HB3 0.20 -0.10 0.32 -0.04 1.64 2.02 2iobB1 LEU 485 HG -0.11 -0.03 -0.23 -0.04 1.64 1.23 2iobB1 LEU 485 HD13 0.04 -0.01 0.01 -0.04 0.93 0.94 2iobB1 LEU 485 HD23 0.26 -0.04 -0.07 -0.04 0.89 1.00 2iobB1 VAL 486 H 0.01 0.20 0.12 -0.55 8.24 8.02 2iobB1 VAL 486 HA 0.07 0.22 1.00 -0.75 4.13 4.66 2iobB1 VAL 486 HB 0.23 -0.02 0.04 -0.04 2.12 2.33 2iobB1 VAL 486 HG13 -0.16 -0.00 -0.26 -0.04 0.97 0.51 2iobB1 VAL 486 HG23 0.05 0.02 -0.21 -0.04 0.95 0.76 2iobB1 PHE 487 H 0.25 0.69 0.39 -0.55 8.34 9.12 2iobB1 PHE 487 HA 0.20 0.07 0.79 -0.75 4.62 4.92 2iobB1 PHE 487 HB2 0.68 -0.06 0.21 -0.04 3.15 3.94 2iobB1 PHE 487 HB3 0.38 -0.06 0.11 -0.04 3.06 3.45 2iobB1 PHE 487 HD2 0.20 0.07 -0.02 -0.04 7.28 7.49 2iobB1 PHE 487 HE2 0.14 0.02 -0.05 -0.04 7.38 7.45 2iobB1 PHE 487 HZ 0.10 -0.03 -0.18 -0.04 7.32 7.17 2iobB1 GLU 488 H 0.03 0.12 0.18 -0.55 8.60 8.38 2iobB1 GLU 488 HA 0.24 0.07 0.47 -0.75 4.29 4.32 2iobB1 GLU 488 HB2 0.08 -0.04 0.17 -0.04 2.09 2.26 2iobB1 GLU 488 HB3 -0.05 0.05 0.19 -0.04 1.99 2.14 2iobB1 GLU 488 HG2 0.18 -0.01 0.21 -0.04 2.34 2.68 2iobB1 GLU 488 HG3 0.08 0.20 0.22 -0.04 2.34 2.80 2iobB1 PRO 489 HA 0.13 0.17 0.43 -0.51 4.44 4.66 2iobB1 PRO 489 HB2 -0.47 -0.10 -0.07 -0.04 2.28 1.60 2iobB1 PRO 489 HB3 0.14 0.06 0.09 -0.04 2.02 2.27 2iobB1 PRO 489 HG2 0.24 0.10 -0.07 -0.04 2.03 2.26 2iobB1 PRO 489 HG3 0.03 0.19 0.08 -0.04 2.03 2.29 2iobB1 PRO 489 HD2 -0.26 0.04 0.13 -0.04 3.68 3.55 2iobB1 PRO 489 HD3 0.12 0.11 0.21 -0.04 3.65 4.04 2iobB1 LEU 490 H -0.00 0.22 0.15 -0.55 8.37 8.19 2iobB1 LEU 490 HA -1.41 0.04 0.30 -0.75 4.35 2.53 2iobB1 LEU 490 HB2 -0.68 0.09 0.10 -0.04 1.64 1.10 2iobB1 LEU 490 HB3 -0.18 0.02 0.13 -0.04 1.64 1.56 2iobB1 LEU 490 HG -0.28 -0.02 -0.21 -0.04 1.64 1.09 2iobB1 LEU 490 HD13 -0.96 -0.02 -0.02 -0.04 0.93 -0.11 2iobB1 LEU 490 HD23 -0.21 0.05 -0.23 -0.04 0.89 0.46 2iobB1 TRP 491 H 0.15 0.12 -0.22 -0.55 7.97 7.48 2iobB1 TRP 491 HA -0.13 0.06 0.36 -0.75 4.62 4.16 2iobB1 TRP 491 HB2 0.09 0.04 0.04 -0.04 3.23 3.36 2iobB1 TRP 491 HB3 0.14 0.02 0.00 -0.04 3.23 3.35 2iobB1 TRP 491 HD1 0.09 -0.01 -0.40 -0.04 7.22 6.87 2iobB1 TRP 491 HE1 0.05 0.46 -0.18 -0.04 10.20 10.49 2iobB1 TRP 491 HE3 0.04 -0.10 -0.41 -0.04 7.59 7.08 2iobB1 TRP 491 HZ2 0.17 0.12 0.04 -0.04 7.44 7.74 2iobB1 TRP 491 HZ3 0.12 -0.03 -0.11 -0.04 7.13 7.06 2iobB1 TRP 491 HH2 0.25 0.00 -0.06 -0.04 7.19 7.34 2iobB1 THR 492 H -0.69 0.51 -0.48 -0.55 8.28 7.07 2iobB1 THR 492 HA -0.55 0.07 0.19 -0.75 4.39 3.35 2iobB1 THR 492 HB -0.38 -0.12 -0.34 -0.04 4.32 3.44 2iobB1 THR 492 HG23 -1.31 -0.01 -0.00 -0.04 1.22 -0.14 2iobB1 VAL 493 H -0.10 0.40 -0.51 -0.55 8.24 7.47 2iobB1 VAL 493 HA 0.02 -0.07 0.53 -0.75 4.13 3.85 2iobB1 VAL 493 HB 0.16 -0.02 0.04 -0.04 2.12 2.26 2iobB1 VAL 493 HG13 -0.00 -0.02 -0.01 -0.04 0.97 0.90 2iobB1 VAL 493 HG23 0.11 0.09 -0.07 -0.04 0.95 1.04 2iobB1 ILE 494 H 0.03 0.53 -0.12 -0.55 8.25 8.13 2iobB1 ILE 494 HA 0.04 0.03 0.39 -0.75 4.18 3.89 2iobB1 ILE 494 HB -0.05 0.10 0.13 -0.04 1.89 2.02 2iobB1 ILE 494 HG12 -0.12 0.08 0.11 -0.04 1.49 1.52 2iobB1 ILE 494 HG13 -0.41 0.02 0.04 -0.04 1.21 0.82 2iobB1 ILE 494 HG23 -0.45 -0.01 -0.10 -0.04 0.93 0.34 2iobB1 ILE 494 HD13 -0.51 -0.02 -0.07 -0.04 0.88 0.24 2iobB1 PRO 495 HA 0.34 0.07 0.34 -0.51 4.44 4.68 2iobB1 PRO 495 HB2 -0.26 -0.05 0.04 -0.04 2.28 1.97 2iobB1 PRO 495 HB3 -0.06 0.01 0.02 -0.04 2.02 1.94 2iobB1 PRO 495 HG2 0.20 0.03 -0.02 -0.04 2.03 2.19 2iobB1 PRO 495 HG3 0.28 0.08 -0.03 -0.04 2.03 2.33 2iobB1 PRO 495 HD2 0.03 0.25 -0.20 -0.04 3.68 3.73 2iobB1 PRO 495 HD3 0.18 0.14 0.09 -0.04 3.65 4.02 2iobB1 GLY 496 H 0.03 0.11 -0.23 -0.55 8.43 7.79 2iobB1 GLY 496 HA2 0.05 0.06 0.41 -0.51 4.01 4.01 2iobB1 GLY 496 HA3 0.02 -0.17 0.33 -0.51 4.01 3.68 2iobB1 ASN 497 H 0.19 0.43 -0.25 -0.55 8.53 8.35 2iobB1 ASN 497 HA 0.05 0.01 0.59 -0.75 4.76 4.66 2iobB1 ASN 497 HB2 0.25 0.11 0.15 -0.04 2.88 3.36 2iobB1 ASN 497 HB3 0.31 0.08 0.18 -0.04 2.79 3.31 2iobB1 ASN 497 HD21 -0.03 0.07 0.04 -0.04 7.03 7.07 2iobB1 ASN 497 HD22 0.18 0.06 0.06 -0.04 7.74 8.01 2iobB1 LYS 498 H -0.01 0.18 0.21 -0.55 8.42 8.25 2iobB1 LYS 498 HA 0.02 0.10 0.29 -0.75 4.32 3.97 2iobB1 LYS 498 HB2 -0.06 0.01 0.04 -0.04 1.87 1.82 2iobB1 LYS 498 HB3 -0.03 0.06 0.12 -0.04 1.79 1.90 2iobB1 LYS 498 HG2 -0.03 -0.05 0.16 -0.04 1.46 1.50 2iobB1 LYS 498 HG3 -0.06 -0.00 -0.04 -0.04 1.46 1.32 2iobB1 LYS 498 HD2 -0.07 0.02 -0.15 -0.04 1.69 1.45 2iobB1 LYS 498 HD3 -0.05 -0.03 0.01 -0.04 1.68 1.57 2iobB1 LYS 498 HE2 -0.03 -0.11 0.08 -0.04 2.99 2.89 2iobB1 LYS 498 HE3 -0.04 0.37 0.20 -0.04 2.99 3.48 2iobB1 ALA 499 H -0.20 0.05 -0.53 -0.55 8.40 7.17 2iobB1 ALA 499 HA -0.05 0.05 0.31 -0.75 4.34 3.90 2iobB1 ALA 499 HB3 -0.72 0.02 -0.06 -0.04 1.41 0.61 2iobB1 ILE 500 H 0.04 0.65 -0.36 -0.55 8.25 8.04 2iobB1 ILE 500 HA 0.25 0.08 0.67 -0.75 4.18 4.43 2iobB1 ILE 500 HB 0.43 0.12 0.02 -0.04 1.89 2.42 2iobB1 ILE 500 HG12 0.06 -0.14 -0.00 -0.04 1.49 1.36 2iobB1 ILE 500 HG13 0.19 0.00 -0.09 -0.04 1.21 1.28 2iobB1 ILE 500 HG23 0.18 0.02 -0.18 -0.04 0.93 0.91 2iobB1 ILE 500 HD13 0.11 -0.01 -0.21 -0.04 0.88 0.73 2iobB1 LEU 501 H -0.01 0.43 -0.14 -0.55 8.37 8.10 2iobB1 LEU 501 HA -0.03 0.01 0.38 -0.75 4.35 3.94 2iobB1 LEU 501 HB2 -0.09 0.09 0.06 -0.04 1.64 1.66 2iobB1 LEU 501 HB3 -0.06 -0.01 0.01 -0.04 1.64 1.54 2iobB1 LEU 501 HG 0.01 -0.00 0.10 -0.04 1.64 1.71 2iobB1 LEU 501 HD13 -0.02 0.04 0.05 -0.04 0.93 0.95 2iobB1 LEU 501 HD23 0.06 -0.01 -0.08 -0.04 0.89 0.81 2iobB1 PRO 502 HA -0.17 0.18 0.27 -0.51 4.44 4.21 2iobB1 PRO 502 HB2 -1.07 0.07 -0.05 -0.04 2.28 1.19 2iobB1 PRO 502 HB3 -0.81 -0.15 -0.04 -0.04 2.02 0.98 2iobB1 PRO 502 HG2 -1.41 0.08 -0.10 -0.04 2.03 0.56 2iobB1 PRO 502 HG3 -0.53 -0.00 -0.20 -0.04 2.03 1.26 2iobB1 PRO 502 HD2 -0.24 0.39 -0.33 -0.04 3.68 3.46 2iobB1 PRO 502 HD3 -0.21 0.19 -0.03 -0.04 3.65 3.56 2iobB1 ILE 503 H -0.04 0.28 -0.31 -0.55 8.25 7.63 2iobB1 ILE 503 HA 0.05 0.01 0.45 -0.75 4.18 3.93 2iobB1 ILE 503 HB 0.09 0.18 0.16 -0.04 1.89 2.27 2iobB1 ILE 503 HG12 0.19 -0.05 -0.00 -0.04 1.49 1.59 2iobB1 ILE 503 HG13 0.17 -0.06 0.03 -0.04 1.21 1.31 2iobB1 ILE 503 HG23 0.03 -0.00 -0.09 -0.04 0.93 0.83 2iobB1 ILE 503 HD13 0.30 0.01 0.00 -0.04 0.88 1.15 2iobB1 LEU 504 H 0.01 0.66 -0.04 -0.55 8.37 8.46 2iobB1 LEU 504 HA 0.10 0.01 0.34 -0.75 4.35 4.05 2iobB1 LEU 504 HB2 -0.12 0.10 0.05 -0.04 1.64 1.63 2iobB1 LEU 504 HB3 0.01 0.09 0.03 -0.04 1.64 1.73 2iobB1 LEU 504 HG -0.12 -0.02 -0.14 -0.04 1.64 1.32 2iobB1 LEU 504 HD13 -0.13 -0.03 -0.15 -0.04 0.93 0.58 2iobB1 LEU 504 HD23 -0.72 -0.00 -0.12 -0.04 0.89 0.00 2iobB1 TRP 505 H 0.19 0.50 -0.31 -0.55 7.97 7.80 2iobB1 TRP 505 HA -0.01 0.03 0.33 -0.75 4.62 4.22 2iobB1 TRP 505 HB2 -0.08 0.07 0.19 -0.04 3.23 3.37 2iobB1 TRP 505 HB3 -0.10 0.22 0.26 -0.04 3.23 3.57 2iobB1 TRP 505 HD1 -0.10 0.09 -0.03 -0.04 7.22 7.13 2iobB1 TRP 505 HE1 -0.18 -0.04 0.01 -0.04 10.20 9.95 2iobB1 TRP 505 HE3 -0.06 0.10 -0.17 -0.04 7.59 7.43 2iobB1 TRP 505 HZ2 -0.80 0.03 0.04 -0.04 7.44 6.67 2iobB1 TRP 505 HZ3 -0.05 0.25 -0.36 -0.04 7.13 6.92 2iobB1 TRP 505 HH2 -0.14 0.11 -0.00 -0.04 7.19 7.12 2iobB1 SER 506 H 0.10 0.49 -0.08 -0.55 8.46 8.42 2iobB1 SER 506 HA -0.12 -0.03 0.33 -0.75 4.49 3.92 2iobB1 SER 506 HB2 -0.01 -0.08 0.11 -0.04 3.95 3.92 2iobB1 SER 506 HB3 0.07 -0.02 0.14 -0.04 3.93 4.08 2iobB1 LEU 507 H -0.11 0.42 -0.38 -0.55 8.37 7.75 2iobB1 LEU 507 HA -0.35 0.03 0.53 -0.75 4.35 3.80 2iobB1 LEU 507 HB2 -0.27 0.09 0.08 -0.04 1.64 1.50 2iobB1 LEU 507 HB3 -0.90 -0.06 0.02 -0.04 1.64 0.66 2iobB1 LEU 507 HG -0.11 0.06 -0.01 -0.04 1.64 1.54 2iobB1 LEU 507 HD13 -0.01 -0.03 -0.16 -0.04 0.93 0.69 2iobB1 LEU 507 HD23 -0.18 -0.02 -0.02 -0.04 0.89 0.64 2iobB1 PHE 508 H -0.18 0.38 -0.31 -0.55 8.34 7.68 2iobB1 PHE 508 HA -0.16 0.13 0.74 -0.75 4.62 4.58 2iobB1 PHE 508 HB2 -0.14 -0.00 0.13 -0.04 3.15 3.09 2iobB1 PHE 508 HB3 -0.03 -0.10 0.09 -0.04 3.06 2.98 2iobB1 PHE 508 HD2 -0.09 0.11 -0.00 -0.04 7.28 7.26 2iobB1 PHE 508 HE2 -0.11 0.01 -0.01 -0.04 7.38 7.22 2iobB1 PHE 508 HZ -0.13 -0.00 0.00 -0.04 7.32 7.15 2iobB1 PRO 509 HA -1.81 -0.03 0.51 -0.51 4.44 2.60 2iobB1 PRO 509 HB2 -0.33 -0.07 0.01 -0.04 2.28 1.85 2iobB1 PRO 509 HB3 -0.56 0.02 0.10 -0.04 2.02 1.55 2iobB1 PRO 509 HG2 -0.19 -0.04 0.06 -0.04 2.03 1.82 2iobB1 PRO 509 HG3 -0.20 0.01 0.05 -0.04 2.03 1.85 2iobB1 PRO 509 HD2 -0.27 0.14 -0.16 -0.04 3.68 3.34 2iobB1 PRO 509 HD3 -0.33 0.40 -0.34 -0.04 3.65 3.34 2iobB1 HIS 510 H -2.92 0.07 0.18 -0.55 8.41 5.19 2iobB1 HIS 510 HA -0.05 0.00 0.29 -0.75 4.63 4.11 2iobB1 HIS 510 HB2 -0.17 0.22 -0.17 -0.04 3.26 3.10 2iobB1 HIS 510 HB3 -0.03 -0.02 0.17 -0.04 3.20 3.28 2iobB1 HIS 510 HD2 0.33 0.03 0.02 -0.04 6.97 7.31 2iobB1 HIS 510 HE1 0.14 -0.03 -0.02 -0.04 7.75 7.80 2iobB1 HIS 511 H -0.26 0.26 -0.11 -0.55 8.41 7.76 2iobB1 HIS 511 HA -0.09 0.08 0.46 -0.75 4.63 4.34 2iobB1 HIS 511 HB2 -0.05 0.24 0.06 -0.04 3.26 3.48 2iobB1 HIS 511 HB3 -0.02 -0.11 0.07 -0.04 3.20 3.10 2iobB1 HIS 511 HD2 -0.05 0.08 -0.01 -0.04 6.97 6.95 2iobB1 HIS 511 HE1 -0.48 0.01 -0.03 -0.04 7.75 7.20 2iobB1 ARG 512 H -0.54 0.14 0.19 -0.55 8.46 7.70 2iobB1 ARG 512 HA -0.03 0.12 0.33 -0.75 4.34 4.00 2iobB1 ARG 512 HB2 -0.16 -0.00 0.14 -0.04 1.90 1.84 2iobB1 ARG 512 HB3 -0.21 0.03 0.18 -0.04 1.80 1.76 2iobB1 ARG 512 HG2 -0.73 -0.06 0.13 -0.04 1.67 0.97 2iobB1 ARG 512 HG3 -1.05 0.01 -0.06 -0.04 1.67 0.53 2iobB1 ARG 512 HD2 -0.24 -0.03 0.03 -0.04 3.22 2.94 2iobB1 ARG 512 HD3 -0.27 0.05 0.05 -0.04 3.22 3.01 2iobB1 TYR 513 H 0.58 -0.02 -0.37 -0.55 8.29 7.93 2iobB1 TYR 513 HA 0.07 0.54 0.94 -0.75 4.56 5.35 2iobB1 TYR 513 HB2 0.01 -0.01 -0.02 -0.04 3.06 3.00 2iobB1 TYR 513 HB3 0.12 -0.08 0.08 -0.04 2.98 3.06 2iobB1 TYR 513 HD2 0.06 0.16 -0.07 -0.04 7.15 7.26 2iobB1 TYR 513 HE2 0.09 -0.02 -0.07 -0.04 6.85 6.81 2iobB1 LEU 514 H 0.23 0.53 -0.18 -0.55 8.37 8.40 2iobB1 LEU 514 HA 0.11 0.14 0.90 -0.75 4.35 4.75 2iobB1 LEU 514 HB2 0.38 0.02 0.04 -0.04 1.64 2.04 2iobB1 LEU 514 HB3 0.48 0.04 -0.02 -0.04 1.64 2.10 2iobB1 LEU 514 HG 0.02 -0.13 -0.13 -0.04 1.64 1.36 2iobB1 LEU 514 HD13 0.12 0.04 -0.13 -0.04 0.93 0.92 2iobB1 LEU 514 HD23 0.00 0.02 -0.16 -0.04 0.89 0.71 2iobB1 LEU 515 H 0.05 0.21 0.16 -0.55 8.37 8.23 2iobB1 LEU 515 HA -0.15 0.15 0.77 -0.75 4.35 4.37 2iobB1 LEU 515 HB2 -0.09 -0.01 0.05 -0.04 1.64 1.55 2iobB1 LEU 515 HB3 -0.11 0.05 -0.07 -0.04 1.64 1.47 2iobB1 LEU 515 HG -0.12 0.02 -0.15 -0.04 1.64 1.36 2iobB1 LEU 515 HD13 0.06 0.03 -0.08 -0.04 0.93 0.90 2iobB1 LEU 515 HD23 -0.38 0.03 -0.15 -0.04 0.89 0.35 2iobB1 ASP 516 H -0.45 0.15 0.12 -0.55 8.40 7.67 2iobB1 ASP 516 HA -3.22 0.03 0.40 -0.75 4.63 1.08 2iobB1 ASP 516 HB2 -0.57 0.06 0.14 -0.04 2.71 2.30 2iobB1 ASP 516 HB3 -0.41 -0.09 0.15 -0.04 2.70 2.31 2iobB1 THR 517 H -1.37 0.22 0.32 -0.55 8.28 6.90 2iobB1 THR 517 HA -0.30 0.33 1.09 -0.75 4.39 4.76 2iobB1 THR 517 HB -0.18 0.03 -0.20 -0.04 4.32 3.92 2iobB1 THR 517 HG23 -0.18 -0.02 -0.17 -0.04 1.22 0.81 2iobB1 ASP 518 H -0.15 0.69 0.43 -0.55 8.40 8.83 2iobB1 ASP 518 HA -0.23 0.12 0.71 -0.75 4.63 4.48 2iobB1 ASP 518 HB2 -0.13 -0.01 -0.23 -0.04 2.71 2.30 2iobB1 ASP 518 HB3 -0.07 0.25 0.10 -0.04 2.70 2.94 2iobB1 PHE 519 H 0.05 0.14 0.22 -0.55 8.34 8.20 2iobB1 PHE 519 HA 0.13 0.27 0.86 -0.75 4.62 5.14 2iobB1 PHE 519 HB2 0.03 -0.05 0.12 -0.04 3.15 3.21 2iobB1 PHE 519 HB3 0.05 0.04 0.17 -0.04 3.06 3.28 2iobB1 PHE 519 HD2 0.02 0.06 0.02 -0.04 7.28 7.35 2iobB1 PHE 519 HE2 -0.01 -0.00 -0.02 -0.04 7.38 7.30 2iobB1 PHE 519 HZ 0.01 0.14 0.05 -0.04 7.32 7.47 2iobB1 THR 520 H 0.05 0.05 -0.05 -0.55 8.28 7.78 2iobB1 THR 520 HA -0.26 0.23 0.74 -0.75 4.39 4.34 2iobB1 THR 520 HB -0.13 0.02 0.03 -0.04 4.32 4.20 2iobB1 THR 520 HG23 0.03 0.01 -0.16 -0.04 1.22 1.05 2iobB1 VAL 521 H -0.49 0.17 0.04 -0.55 8.24 7.42 2iobB1 VAL 521 HA -0.52 0.08 0.57 -0.75 4.13 3.51 2iobB1 VAL 521 HB -0.33 -0.02 0.12 -0.04 2.12 1.85 2iobB1 VAL 521 HG13 -0.51 0.06 -0.21 -0.04 0.97 0.27 2iobB1 VAL 521 HG23 -0.66 0.01 -0.09 -0.04 0.95 0.17 2iobB1 ASN 522 H -0.24 0.12 0.08 -0.55 8.53 7.95 2iobB1 ASN 522 HA -0.09 0.19 0.39 -0.75 4.76 4.49 2iobB1 ASN 522 HB2 -0.08 -0.37 0.10 -0.04 2.88 2.48 2iobB1 ASN 522 HB3 -0.03 -0.05 0.22 -0.04 2.79 2.89 2iobB1 ASN 522 HD21 -0.14 0.14 -0.09 -0.04 7.03 6.90 2iobB1 ASN 522 HD22 -0.11 -0.11 -0.02 -0.04 7.74 7.46 2iobB1 ASP 523 H -0.03 0.16 0.19 -0.55 8.40 8.18 2iobB1 ASP 523 HA -0.03 0.21 0.68 -0.75 4.63 4.74 2iobB1 ASP 523 HB2 0.00 -0.00 0.08 -0.04 2.71 2.75 2iobB1 ASP 523 HB3 0.00 0.05 0.06 -0.04 2.70 2.76 2iobB1 GLU 524 H -0.01 -0.03 0.08 -0.55 8.60 8.09 2iobB1 GLU 524 HA 0.04 0.16 0.49 -0.75 4.29 4.23 2iobB1 GLU 524 HB2 0.01 -0.06 0.08 -0.04 2.09 2.07 2iobB1 GLU 524 HB3 0.07 0.11 0.01 -0.04 1.99 2.14 2iobB1 GLU 524 HG2 0.09 0.07 0.04 -0.04 2.34 2.50 2iobB1 GLU 524 HG3 0.07 -0.11 0.09 -0.04 2.34 2.34 2iobB1 LEU 525 H -0.08 -0.06 -0.28 -0.55 8.37 7.41 2iobB1 LEU 525 HA -0.00 0.17 0.22 -0.75 4.35 3.98 2iobB1 LEU 525 HB2 -0.31 -0.09 -0.09 -0.04 1.64 1.11 2iobB1 LEU 525 HB3 -0.46 0.10 -0.24 -0.04 1.64 1.00 2iobB1 LEU 525 HG -0.16 -0.10 -0.09 -0.04 1.64 1.25 2iobB1 LEU 525 HD13 -0.19 -0.06 -0.07 -0.04 0.93 0.56 2iobB1 LEU 525 HD23 -0.07 0.06 -0.25 -0.04 0.89 0.59 2iobB1 VAL 526 H -0.05 0.08 -0.65 -0.55 8.24 7.07 2iobB1 VAL 526 HA 0.23 0.11 0.40 -0.75 4.13 4.12 2iobB1 VAL 526 HB 0.02 0.01 0.06 -0.04 2.12 2.17 2iobB1 VAL 526 HG13 0.08 0.00 -0.10 -0.04 0.97 0.90 2iobB1 VAL 526 HG23 -0.04 0.09 -0.01 -0.04 0.95 0.95 2iobB1 LYS 527 H 0.03 0.33 -0.15 -0.55 8.42 8.09 2iobB1 LYS 527 HA 0.04 0.01 0.39 -0.75 4.32 4.01 2iobB1 LYS 527 HB2 0.03 -0.05 0.13 -0.04 1.87 1.94 2iobB1 LYS 527 HB3 0.04 0.08 0.22 -0.04 1.79 2.09 2iobB1 LYS 527 HG2 0.04 0.07 -0.33 -0.04 1.46 1.20 2iobB1 LYS 527 HG3 0.03 -0.05 -0.00 -0.04 1.46 1.40 2iobB1 LYS 527 HD2 0.04 -0.02 -0.02 -0.04 1.69 1.65 2iobB1 LYS 527 HD3 0.03 -0.05 0.01 -0.04 1.68 1.64 2iobB1 LYS 527 HE2 0.05 -0.00 0.16 -0.04 2.99 3.15 2iobB1 LYS 527 HE3 0.06 0.07 0.02 -0.04 2.99 3.10 2iobB1 THR 528 H 0.06 0.51 -0.17 -0.55 8.28 8.13 2iobB1 THR 528 HA 0.05 0.00 0.43 -0.75 4.39 4.12 2iobB1 THR 528 HB 0.08 0.03 0.03 -0.04 4.32 4.42 2iobB1 THR 528 HG23 0.10 -0.02 0.07 -0.04 1.22 1.33 2iobB1 GLY 529 H 0.14 0.18 -0.56 -0.55 8.43 7.65 2iobB1 GLY 529 HA2 0.08 0.11 0.39 -0.51 4.01 4.09 2iobB1 GLY 529 HA3 0.03 0.02 0.69 -0.51 4.01 4.24 2iobB1 TYR 530 H -0.26 0.58 0.20 -0.55 8.29 8.25 2iobB1 TYR 530 HA 0.00 0.10 0.73 -0.75 4.56 4.65 2iobB1 TYR 530 HB2 0.02 0.02 -0.21 -0.04 3.06 2.85 2iobB1 TYR 530 HB3 0.01 0.07 -0.47 -0.04 2.98 2.55 2iobB1 TYR 530 HD2 0.09 0.24 -0.33 -0.04 7.15 7.11 2iobB1 TYR 530 HE2 0.19 -0.01 -0.14 -0.04 6.85 6.85 2iobB1 ALA 531 H 0.08 0.70 0.23 -0.55 8.40 8.86 2iobB1 ALA 531 HA -0.11 0.16 1.02 -0.75 4.34 4.65 2iobB1 ALA 531 HB3 -0.06 0.01 -0.03 -0.04 1.41 1.29 2iobB1 VAL 532 H -0.09 0.63 0.24 -0.55 8.24 8.48 2iobB1 VAL 532 HA -0.30 0.21 0.72 -0.75 4.13 4.01 2iobB1 VAL 532 HB -0.07 -0.06 0.14 -0.04 2.12 2.09 2iobB1 VAL 532 HG13 -0.25 -0.00 -1.12 -0.04 0.97 -0.44 2iobB1 VAL 532 HG23 0.16 -0.00 -0.04 -0.04 0.95 1.03 2iobB1 LYS 533 H -0.26 0.64 0.13 -0.55 8.42 8.38 2iobB1 LYS 533 HA -0.10 0.20 0.88 -0.75 4.32 4.55 2iobB1 LYS 533 HB2 -0.13 -0.02 0.03 -0.04 1.87 1.71 2iobB1 LYS 533 HB3 -0.09 0.04 -0.02 -0.04 1.79 1.67 2iobB1 LYS 533 HG2 -0.10 0.02 -0.06 -0.04 1.46 1.27 2iobB1 LYS 533 HG3 -0.11 -0.05 -0.53 -0.04 1.46 0.73 2iobB1 LYS 533 HD2 -0.11 -0.00 -0.16 -0.04 1.69 1.38 2iobB1 LYS 533 HD3 -0.11 -0.01 -0.09 -0.04 1.68 1.43 2iobB1 LYS 533 HE2 -0.16 0.03 -0.06 -0.04 2.99 2.77 2iobB1 LYS 533 HE3 -0.11 -0.01 -0.04 -0.04 2.99 2.78 2iobB1 PRO 534 HA -0.06 0.12 0.44 -0.51 4.44 4.43 2iobB1 PRO 534 HB2 -0.03 0.02 0.83 -0.04 2.28 3.05 2iobB1 PRO 534 HB3 -0.04 0.03 0.07 -0.04 2.02 2.04 2iobB1 PRO 534 HG2 -0.04 -0.03 0.81 -0.04 2.03 2.73 2iobB1 PRO 534 HG3 -0.04 0.07 1.10 -0.04 2.03 3.12 2iobB1 PRO 534 HD2 -0.07 0.08 0.38 -0.04 3.68 4.03 2iobB1 PRO 534 HD3 -0.07 0.21 0.12 -0.04 3.65 3.87 2iobB1 ILE 535 H -0.03 0.46 0.23 -0.55 8.25 8.36 2iobB1 ILE 535 HA -0.05 0.08 0.48 -0.75 4.18 3.94 2iobB1 ILE 535 HB -0.02 0.12 0.09 -0.04 1.89 2.04 2iobB1 ILE 535 HG12 -0.03 -0.07 -0.14 -0.04 1.49 1.21 2iobB1 ILE 535 HG13 -0.02 -0.04 -0.08 -0.04 1.21 1.03 2iobB1 ILE 535 HG23 -0.09 -0.03 0.08 -0.04 0.93 0.85 2iobB1 ILE 535 HD13 0.08 0.01 -0.20 -0.04 0.88 0.74 2iobB1 ILE 543 HA -0.07 0.18 0.38 -0.75 4.18 3.92 2iobB1 ILE 543 HB -0.06 -0.08 0.15 -0.04 1.89 1.86 2iobB1 ILE 543 HG12 -0.05 -0.03 0.12 -0.04 1.49 1.50 2iobB1 ILE 543 HG13 -0.06 -0.04 0.05 -0.04 1.21 1.12 2iobB1 ILE 543 HG23 -0.08 -0.01 -0.09 -0.04 0.93 0.71 2iobB1 ILE 543 HD13 -0.07 0.01 0.13 -0.04 0.88 0.90 2iobB1 ASP 544 H -0.06 0.18 0.21 -0.55 8.40 8.18 2iobB1 ASP 544 HA -0.06 0.16 0.97 -0.75 4.63 4.95 2iobB1 ASP 544 HB2 -0.05 -0.00 0.14 -0.04 2.71 2.75 2iobB1 ASP 544 HB3 -0.04 -0.00 0.08 -0.04 2.70 2.70 2iobB1 LEU 545 H -0.07 0.14 0.22 -0.55 8.37 8.11 2iobB1 LEU 545 HA -0.12 0.17 0.88 -0.75 4.35 4.52 2iobB1 LEU 545 HB2 -0.07 -0.03 0.06 -0.04 1.64 1.56 2iobB1 LEU 545 HB3 -0.08 -0.01 0.01 -0.04 1.64 1.52 2iobB1 LEU 545 HG -0.07 0.01 -0.06 -0.04 1.64 1.48 2iobB1 LEU 545 HD13 -0.06 -0.01 -0.02 -0.04 0.93 0.80 2iobB1 LEU 545 HD23 -0.07 0.03 -0.19 -0.04 0.89 0.62 2iobB1 VAL 546 H -0.25 0.49 0.15 -0.55 8.24 8.08 2iobB1 VAL 546 HA -0.16 0.19 0.71 -0.75 4.13 4.12 2iobB1 VAL 546 HB -1.01 0.12 0.09 -0.04 2.12 1.29 2iobB1 VAL 546 HG13 -0.19 -0.01 0.04 -0.04 0.97 0.77 2iobB1 VAL 546 HG23 -0.20 -0.01 -0.29 -0.04 0.95 0.41 2iobB1 LYS 564 HA 0.06 -0.06 0.28 -0.75 4.32 3.84 2iobB1 LYS 564 HB2 -0.00 -0.04 0.09 -0.04 1.87 1.88 2iobB1 LYS 564 HB3 -0.00 0.00 0.11 -0.04 1.79 1.86 2iobB1 LYS 564 HG2 -0.06 -0.01 0.03 -0.04 1.46 1.38 2iobB1 LYS 564 HG3 -0.03 0.03 -0.05 -0.04 1.46 1.37 2iobB1 LYS 564 HD2 0.02 -0.02 0.11 -0.04 1.69 1.77 2iobB1 LYS 564 HD3 -0.05 -0.04 0.05 -0.04 1.68 1.60 2iobB1 LYS 564 HE2 -0.30 -0.02 0.03 -0.04 2.99 2.66 2iobB1 LYS 564 HE3 -0.05 0.08 0.06 -0.04 2.99 3.04 2iobB1 ASN 565 H 0.13 0.25 0.20 -0.55 8.53 8.56 2iobB1 ASN 565 HA -0.04 0.06 0.83 -0.75 4.76 4.86 2iobB1 ASN 565 HB2 -0.11 -0.05 -0.04 -0.04 2.88 2.63 2iobB1 ASN 565 HB3 -0.42 0.10 -0.19 -0.04 2.79 2.24 2iobB1 ASN 565 HD21 -0.04 -0.02 -0.14 -0.04 7.03 6.80 2iobB1 ASN 565 HD22 -0.07 -0.03 0.01 -0.04 7.74 7.60 2iobB1 ILE 566 H -0.17 0.59 0.24 -0.55 8.25 8.36 2iobB1 ILE 566 HA 0.04 0.20 0.92 -0.75 4.18 4.58 2iobB1 ILE 566 HB -0.17 -0.01 -0.02 -0.04 1.89 1.64 2iobB1 ILE 566 HG12 -0.12 0.14 0.04 -0.04 1.49 1.50 2iobB1 ILE 566 HG13 -0.15 -0.05 -0.33 -0.04 1.21 0.64 2iobB1 ILE 566 HG23 -0.04 0.02 -0.18 -0.04 0.93 0.70 2iobB1 ILE 566 HD13 -0.10 0.00 -0.11 -0.04 0.88 0.63 2iobB1 TYR 567 H 0.08 0.85 0.37 -0.55 8.29 9.04 2iobB1 TYR 567 HA 0.05 0.35 0.98 -0.75 4.56 5.18 2iobB1 TYR 567 HB2 -0.15 -0.02 -0.06 -0.04 3.06 2.80 2iobB1 TYR 567 HB3 -0.11 -0.03 -0.12 -0.04 2.98 2.67 2iobB1 TYR 567 HD2 0.14 0.06 -0.30 -0.04 7.15 7.01 2iobB1 TYR 567 HE2 0.10 0.13 -0.33 -0.04 6.85 6.72 2iobB1 GLN 568 H 0.05 0.57 0.25 -0.55 8.47 8.79 2iobB1 GLN 568 HA -0.13 0.30 1.11 -0.75 4.36 4.89 2iobB1 GLN 568 HB2 -0.11 -0.05 -0.17 -0.04 2.15 1.78 2iobB1 GLN 568 HB3 -0.07 -0.06 0.02 -0.04 2.02 1.88 2iobB1 GLN 568 HG2 -0.05 0.13 -0.21 -0.04 2.40 2.23 2iobB1 GLN 568 HG3 -0.11 0.06 -0.12 -0.04 2.39 2.18 2iobB1 GLN 568 HE21 -0.14 0.01 -0.02 -0.04 6.97 6.78 2iobB1 GLN 568 HE22 -0.15 -0.04 -0.07 -0.04 7.69 7.38 2iobB1 GLN 569 H -0.13 0.55 0.24 -0.55 8.47 8.58 2iobB1 GLN 569 HA 0.09 0.16 0.48 -0.75 4.36 4.33 2iobB1 GLN 569 HB2 0.11 0.12 0.10 -0.04 2.15 2.43 2iobB1 GLN 569 HB3 -0.04 -0.12 0.13 -0.04 2.02 1.95 2iobB1 GLN 569 HG2 -0.13 -0.06 0.15 -0.04 2.40 2.32 2iobB1 GLN 569 HG3 0.14 0.09 -0.18 -0.04 2.39 2.40 2iobB1 GLN 569 HE21 0.39 -0.02 0.01 -0.04 6.97 7.30 2iobB1 GLN 569 HE22 0.35 0.19 -0.03 -0.04 7.69 8.16 2iobB1 LEU 570 H 0.10 0.47 0.15 -0.55 8.37 8.55 2iobB1 LEU 570 HA 0.07 0.00 0.46 -0.75 4.35 4.13 2iobB1 LEU 570 HB2 0.04 0.16 0.04 -0.04 1.64 1.84 2iobB1 LEU 570 HB3 0.02 -0.10 -0.07 -0.04 1.64 1.44 2iobB1 LEU 570 HG 0.03 0.03 -0.45 -0.04 1.64 1.20 2iobB1 LEU 570 HD13 -0.03 0.01 -0.07 -0.04 0.93 0.80 2iobB1 LEU 570 HD23 -0.03 -0.01 -0.17 -0.04 0.89 0.63 2iobB1 TRP 571 H 0.17 0.09 -0.06 -0.55 7.97 7.62 2iobB1 TRP 571 HA 0.06 0.05 0.48 -0.75 4.62 4.46 2iobB1 TRP 571 HB2 0.06 0.14 -0.50 -0.04 3.23 2.89 2iobB1 TRP 571 HB3 0.13 -0.01 0.00 -0.04 3.23 3.32 2iobB1 TRP 571 HD1 0.18 -0.03 -0.24 -0.04 7.22 7.09 2iobB1 TRP 571 HE1 0.09 -0.05 -0.19 -0.04 10.20 10.01 2iobB1 TRP 571 HE3 0.06 0.06 -0.06 -0.04 7.59 7.61 2iobB1 TRP 571 HZ2 0.08 -0.09 -0.33 -0.04 7.44 7.06 2iobB1 TRP 571 HZ3 0.08 -0.03 -0.03 -0.04 7.13 7.10 2iobB1 TRP 571 HH2 0.08 0.05 -0.08 -0.04 7.19 7.20 2iobB1 CYS 572 H 0.01 0.10 0.04 -0.55 8.50 8.10 2iobB1 CYS 572 HA 0.17 0.11 0.53 -0.75 4.58 4.63 2iobB1 CYS 572 HB2 0.02 0.00 0.04 -0.04 2.97 2.98 2iobB1 CYS 572 HB3 0.02 0.05 0.07 -0.04 2.97 3.07 2iobB1 LEU 573 H 0.17 0.10 0.16 -0.55 8.37 8.26 2iobB1 LEU 573 HA 0.21 0.09 0.49 -0.75 4.35 4.39 2iobB1 LEU 573 HB2 0.20 -0.06 0.10 -0.04 1.64 1.84 2iobB1 LEU 573 HB3 0.19 0.16 -0.01 -0.04 1.64 1.95 2iobB1 LEU 573 HG 0.33 -0.03 0.06 -0.04 1.64 1.97 2iobB1 LEU 573 HD13 0.13 -0.01 -0.23 -0.04 0.93 0.78 2iobB1 LEU 573 HD23 0.02 0.06 0.12 -0.04 0.89 1.05 2iobB1 PRO 574 HA 0.06 0.05 0.45 -0.51 4.44 4.49 2iobB1 PRO 574 HB2 0.01 0.05 0.03 -0.04 2.28 2.32 2iobB1 PRO 574 HB3 0.04 -0.03 0.14 -0.04 2.02 2.13 2iobB1 PRO 574 HG2 0.01 -0.07 0.12 -0.04 2.03 2.05 2iobB1 PRO 574 HG3 0.03 0.17 0.15 -0.04 2.03 2.33 2iobB1 PRO 574 HD2 0.09 0.22 0.35 -0.04 3.68 4.30 2iobB1 PRO 574 HD3 0.11 0.07 0.19 -0.04 3.65 3.99 2iobB1 LYS 575 H -0.04 0.17 0.22 -0.55 8.42 8.21 2iobB1 LYS 575 HA -0.36 0.23 0.70 -0.75 4.32 4.13 2iobB1 LYS 575 HB2 -0.39 0.05 0.00 -0.04 1.87 1.49 2iobB1 LYS 575 HB3 -0.19 -0.02 0.07 -0.04 1.79 1.61 2iobB1 LYS 575 HG2 -0.32 -0.17 -0.24 -0.04 1.46 0.68 2iobB1 LYS 575 HG3 -1.06 0.04 -0.34 -0.04 1.46 0.06 2iobB1 LYS 575 HD2 -0.32 0.03 -0.09 -0.04 1.69 1.27 2iobB1 LYS 575 HD3 -0.18 -0.03 -0.09 -0.04 1.68 1.34 2iobB1 LYS 575 HE2 -0.16 -0.07 -0.15 -0.04 2.99 2.57 2iobB1 LYS 575 HE3 -0.39 0.09 -0.20 -0.04 2.99 2.46 2iobB1 VAL 576 H -0.09 0.58 0.25 -0.55 8.24 8.43 2iobB1 VAL 576 HA 0.01 0.31 1.30 -0.75 4.13 5.00 2iobB1 VAL 576 HB 0.06 -0.04 0.02 -0.04 2.12 2.12 2iobB1 VAL 576 HG13 0.25 0.00 -0.17 -0.04 0.97 1.00 2iobB1 VAL 576 HG23 -0.01 0.01 -0.20 -0.04 0.95 0.71 2iobB1 ASP 577 H 0.22 0.15 -0.03 -0.55 8.40 8.19 2iobB1 ASP 577 HA 0.01 0.35 1.08 -0.75 4.63 5.31 2iobB1 ASP 577 HB2 -0.04 -0.03 0.10 -0.04 2.71 2.70 2iobB1 ASP 577 HB3 -0.20 0.01 0.20 -0.04 2.70 2.67 2iobB1 GLY 578 H -0.06 0.20 -0.36 -0.55 8.43 7.67 2iobB1 GLY 578 HA2 -0.08 0.05 0.22 -0.51 4.01 3.69 2iobB1 GLY 578 HA3 -0.06 0.14 0.49 -0.51 4.01 4.07 2iobB1 LYS 579 H -0.06 -0.07 -0.17 -0.55 8.42 7.57 2iobB1 LYS 579 HA -0.06 0.30 0.76 -0.75 4.32 4.57 2iobB1 LYS 579 HB2 0.04 -0.09 -0.17 -0.04 1.87 1.61 2iobB1 LYS 579 HB3 0.02 -0.01 -0.10 -0.04 1.79 1.66 2iobB1 LYS 579 HG2 0.01 0.11 -0.28 -0.04 1.46 1.27 2iobB1 LYS 579 HG3 0.00 0.02 -0.56 -0.04 1.46 0.88 2iobB1 LYS 579 HD2 0.02 0.00 -0.14 -0.04 1.69 1.53 2iobB1 LYS 579 HD3 0.08 -0.01 -0.18 -0.04 1.68 1.53 2iobB1 LYS 579 HE2 0.04 -0.05 -0.39 -0.04 2.99 2.56 2iobB1 LYS 579 HE3 0.04 -0.06 -0.19 -0.04 2.99 2.75 2iobB1 TYR 580 H 0.13 0.81 0.30 -0.55 8.29 8.98 2iobB1 TYR 580 HA -0.01 0.28 0.81 -0.75 4.56 4.89 2iobB1 TYR 580 HB2 0.01 0.09 0.14 -0.04 3.06 3.27 2iobB1 TYR 580 HB3 0.02 0.01 -0.05 -0.04 2.98 2.92 2iobB1 TYR 580 HD2 0.02 0.23 -0.30 -0.04 7.15 7.06 2iobB1 TYR 580 HE2 0.01 0.07 -0.11 -0.04 6.85 6.78 2iobB1 ILE 581 H 0.01 0.50 0.24 -0.55 8.25 8.45 2iobB1 ILE 581 HA -0.07 0.25 0.96 -0.75 4.18 4.57 2iobB1 ILE 581 HB -0.16 0.03 0.08 -0.04 1.89 1.80 2iobB1 ILE 581 HG12 -0.23 0.01 -0.22 -0.04 1.49 1.01 2iobB1 ILE 581 HG13 -0.76 -0.02 -0.14 -0.04 1.21 0.24 2iobB1 ILE 581 HG23 -0.23 -0.02 -0.27 -0.04 0.93 0.37 2iobB1 ILE 581 HD13 -0.31 0.01 -0.30 -0.04 0.88 0.24 2iobB1 GLN 582 H -0.04 0.79 0.41 -0.55 8.47 9.08 2iobB1 GLN 582 HA -0.03 0.24 1.06 -0.75 4.36 4.88 2iobB1 GLN 582 HB2 0.03 -0.01 -0.00 -0.04 2.15 2.13 2iobB1 GLN 582 HB3 -0.00 -0.06 0.16 -0.04 2.02 2.08 2iobB1 GLN 582 HG2 -0.03 -0.06 -0.26 -0.04 2.40 2.01 2iobB1 GLN 582 HG3 -0.09 0.28 0.07 -0.04 2.39 2.62 2iobB1 GLN 582 HE21 0.02 -0.01 -0.13 -0.04 6.97 6.81 2iobB1 GLN 582 HE22 -0.01 -0.03 -0.16 -0.04 7.69 7.44 2iobB1 VAL 583 H -0.03 0.38 0.23 -0.55 8.24 8.27 2iobB1 VAL 583 HA -0.05 0.14 0.82 -0.75 4.13 4.28 2iobB1 VAL 583 HB -0.04 -0.02 0.03 -0.04 2.12 2.05 2iobB1 VAL 583 HG13 -0.11 -0.01 -0.21 -0.04 0.97 0.60 2iobB1 VAL 583 HG23 -0.07 0.01 -0.07 -0.04 0.95 0.78 2iobB1 CYS 584 H -0.06 0.77 0.41 -0.55 8.50 9.08 2iobB1 CYS 584 HA 0.05 0.40 1.25 -0.75 4.58 5.53 2iobB1 CYS 584 HB2 -0.25 -0.12 -0.09 -0.04 2.97 2.47 2iobB1 CYS 584 HB3 -0.24 0.02 -0.14 -0.04 2.97 2.58 2iobB1 THR 585 H 0.00 0.73 0.41 -0.55 8.28 8.87 2iobB1 THR 585 HA -0.13 0.26 1.30 -0.75 4.39 5.07 2iobB1 THR 585 HB 0.13 0.05 0.06 -0.04 4.32 4.52 2iobB1 THR 585 HG23 0.04 -0.01 -0.24 -0.04 1.22 0.97 2iobB1 PHE 586 H -0.05 0.51 0.21 -0.55 8.34 8.45 2iobB1 PHE 586 HA -0.03 0.27 0.96 -0.75 4.62 5.06 2iobB1 PHE 586 HB2 -0.19 -0.12 -0.11 -0.04 3.15 2.68 2iobB1 PHE 586 HB3 -0.11 0.13 -0.08 -0.04 3.06 2.96 2iobB1 PHE 586 HD2 -0.34 0.05 -0.32 -0.04 7.28 6.63 2iobB1 PHE 586 HE2 -0.34 0.00 -0.39 -0.04 7.38 6.62 2iobB1 PHE 586 HZ -0.16 0.04 -0.40 -0.04 7.32 6.76 2iobB1 THR 587 H 0.21 0.59 0.22 -0.55 8.28 8.75 2iobB1 THR 587 HA 0.06 0.37 0.85 -0.75 4.39 4.92 2iobB1 THR 587 HB 0.03 -0.01 -0.22 -0.04 4.32 4.08 2iobB1 THR 587 HG23 0.05 0.01 -0.32 -0.04 1.22 0.92 2iobB1 VAL 588 H 0.01 0.80 0.07 -0.55 8.24 8.57 2iobB1 VAL 588 HA 0.01 0.34 0.87 -0.75 4.13 4.60 2iobB1 VAL 588 HB -0.03 0.02 -0.11 -0.04 2.12 1.96 2iobB1 VAL 588 HG13 -0.07 -0.00 -0.29 -0.04 0.97 0.57 2iobB1 VAL 588 HG23 0.01 -0.04 -0.32 -0.04 0.95 0.56 2iobB1 GLY 589 H -0.03 0.70 0.15 -0.55 8.43 8.71 2iobB1 GLY 589 HA2 0.03 0.32 0.33 -0.51 4.01 4.17 2iobB1 GLY 589 HA3 -0.01 0.06 0.44 -0.51 4.01 3.99 2iobB1 GLY 590 H -0.08 -0.01 -0.49 -0.55 8.43 7.30 2iobB1 GLY 590 HA2 -1.12 -0.07 0.15 -0.51 4.01 2.46 2iobB1 GLY 590 HA3 -0.31 0.18 0.43 -0.51 4.01 3.80 2iobB1 ASN 591 H -0.05 0.65 -0.50 -0.55 8.53 8.09 2iobB1 ASN 591 HA 0.04 0.13 0.83 -0.75 4.76 5.01 2iobB1 ASN 591 HB2 -0.02 0.15 -0.03 -0.04 2.88 2.94 2iobB1 ASN 591 HB3 0.03 -0.11 0.06 -0.04 2.79 2.73 2iobB1 ASN 591 HD21 -0.00 0.01 -0.01 -0.04 7.03 6.99 2iobB1 ASN 591 HD22 -0.04 0.04 -0.01 -0.04 7.74 7.68 2iobB1 TYR 592 H 0.18 0.09 0.12 -0.55 8.29 8.13 2iobB1 TYR 592 HA 0.04 0.15 0.44 -0.75 4.56 4.43 2iobB1 TYR 592 HB2 0.02 0.05 0.15 -0.04 3.06 3.23 2iobB1 TYR 592 HB3 0.01 0.01 0.16 -0.04 2.98 3.12 2iobB1 TYR 592 HD2 0.02 0.06 -0.12 -0.04 7.15 7.07 2iobB1 TYR 592 HE2 0.03 0.03 -0.19 -0.04 6.85 6.68 2iobB1 GLY 593 H -0.30 0.66 0.32 -0.55 8.43 8.56 2iobB1 GLY 593 HA2 -0.15 0.20 0.78 -0.51 4.01 4.32 2iobB1 GLY 593 HA3 -0.10 -0.01 0.15 -0.51 4.01 3.53 2iobB1 GLY 594 H -1.58 0.12 0.12 -0.55 8.43 6.55 2iobB1 GLY 594 HA2 -0.25 0.17 0.31 -0.51 4.01 3.73 2iobB1 GLY 594 HA3 -0.07 0.14 0.74 -0.51 4.01 4.31 2iobB1 THR 595 H 0.12 0.19 -0.12 -0.55 8.28 7.93 2iobB1 THR 595 HA 0.00 0.41 1.05 -0.75 4.39 5.09 2iobB1 THR 595 HB 0.10 -0.11 -0.05 -0.04 4.32 4.22 2iobB1 THR 595 HG23 -0.01 0.01 -0.14 -0.04 1.22 1.04 2iobB1 CYS 596 H -0.08 0.69 0.38 -0.55 8.50 8.95 2iobB1 CYS 596 HA -0.00 0.11 0.56 -0.75 4.58 4.49 2iobB1 CYS 596 HB2 0.02 -0.01 0.15 -0.04 2.97 3.09 2iobB1 CYS 596 HB3 0.15 0.01 -0.13 -0.04 2.97 2.96 2iobB1 LEU 597 H -0.05 0.26 0.22 -0.55 8.37 8.26 2iobB1 LEU 597 HA -0.07 0.32 1.23 -0.75 4.35 5.08 2iobB1 LEU 597 HB2 -0.08 0.02 0.02 -0.04 1.64 1.56 2iobB1 LEU 597 HB3 -0.14 0.06 -0.08 -0.04 1.64 1.43 2iobB1 LEU 597 HG -0.07 -0.08 -0.24 -0.04 1.64 1.22 2iobB1 LEU 597 HD13 -0.17 0.01 -0.20 -0.04 0.93 0.53 2iobB1 LEU 597 HD23 -0.09 0.03 -0.20 -0.04 0.89 0.59 2iobB1 ARG 598 H -0.05 0.79 0.37 -0.55 8.46 9.01 2iobB1 ARG 598 HA -0.02 0.31 0.94 -0.75 4.34 4.82 2iobB1 ARG 598 HB2 -0.02 -0.02 0.06 -0.04 1.90 1.87 2iobB1 ARG 598 HB3 0.00 0.01 -0.08 -0.04 1.80 1.69 2iobB1 ARG 598 HG2 0.00 0.15 -0.16 -0.04 1.67 1.61 2iobB1 ARG 598 HG3 -0.02 -0.02 -0.24 -0.04 1.67 1.35 2iobB1 ARG 598 HD2 -0.02 -0.04 -0.16 -0.04 3.22 2.96 2iobB1 ARG 598 HD3 -0.05 -0.04 -0.20 -0.04 3.22 2.89 2iobB1 GLY 599 H 0.00 0.66 0.20 -0.55 8.43 8.75 2iobB1 GLY 599 HA2 0.00 0.46 1.11 -0.51 4.01 5.07 2iobB1 GLY 599 HA3 -0.00 -0.08 0.20 -0.51 4.01 3.62 2iobB1 ASP 600 H 0.08 0.50 0.28 -0.55 8.40 8.71 2iobB1 ASP 600 HA 0.05 0.02 0.57 -0.75 4.63 4.53 2iobB1 ASP 600 HB2 0.05 0.07 -0.30 -0.04 2.71 2.48 2iobB1 ASP 600 HB3 0.08 0.15 -0.18 -0.04 2.70 2.70 2iobB1 GLU 601 H 0.07 0.11 0.20 -0.55 8.60 8.43 2iobB1 GLU 601 HA 0.11 0.19 0.68 -0.75 4.29 4.52 2iobB1 GLU 601 HB2 0.05 -0.05 0.15 -0.04 2.09 2.20 2iobB1 GLU 601 HB3 0.06 0.03 0.11 -0.04 1.99 2.16 2iobB1 GLU 601 HG2 0.03 0.19 0.10 -0.04 2.34 2.62 2iobB1 GLU 601 HG3 0.04 -0.11 0.04 -0.04 2.34 2.27 2iobB1 SER 602 H 0.08 -0.06 -0.11 -0.55 8.46 7.83 2iobB1 SER 602 HA 0.03 0.13 0.52 -0.75 4.49 4.41 2iobB1 SER 602 HB2 0.00 0.03 0.08 -0.04 3.95 4.03 2iobB1 SER 602 HB3 0.01 0.03 0.04 -0.04 3.93 3.97 2iobB1 LEU 603 H -0.21 0.15 0.12 -0.55 8.37 7.88 2iobB1 LEU 603 HA -1.14 0.18 0.52 -0.75 4.35 3.17 2iobB1 LEU 603 HB2 -0.36 -0.03 0.10 -0.04 1.64 1.31 2iobB1 LEU 603 HB3 -0.26 0.03 -0.06 -0.04 1.64 1.31 2iobB1 LEU 603 HG -1.39 0.05 0.01 -0.04 1.64 0.27 2iobB1 LEU 603 HD13 -0.15 0.00 -0.00 -0.04 0.93 0.74 2iobB1 LEU 603 HD23 -0.19 0.02 0.11 -0.04 0.89 0.79 2iobB1 VAL 604 H -0.10 -0.02 -0.31 -0.55 8.24 7.25 2iobB1 VAL 604 HA -0.04 0.21 0.87 -0.75 4.13 4.42 2iobB1 VAL 604 HB -0.04 -0.08 0.06 -0.04 2.12 2.01 2iobB1 VAL 604 HG13 -0.03 0.04 -0.17 -0.04 0.97 0.77 2iobB1 VAL 604 HG23 -0.08 0.00 -0.13 -0.04 0.95 0.71 2iobB1 ILE 605 H 0.03 0.20 -0.02 -0.55 8.25 7.91 2iobB1 ILE 605 HA 0.03 -0.01 0.33 -0.75 4.18 3.77 2iobB1 ILE 605 HB 0.05 -0.01 -0.01 -0.04 1.89 1.88 2iobB1 ILE 605 HG12 0.07 0.01 -0.14 -0.04 1.49 1.39 2iobB1 ILE 605 HG13 0.05 0.02 -0.14 -0.04 1.21 1.11 2iobB1 ILE 605 HG23 0.02 0.01 -0.19 -0.04 0.93 0.74 2iobB1 ILE 605 HD13 0.06 0.04 -0.33 -0.04 0.88 0.60 2iobB1 LYS 606 H 0.02 0.08 0.19 -0.55 8.42 8.15 2iobB1 LYS 606 HA 0.00 0.25 0.79 -0.75 4.32 4.61 2iobB1 LYS 606 HB2 0.01 -0.12 0.06 -0.04 1.87 1.77 2iobB1 LYS 606 HB3 0.00 -0.03 0.14 -0.04 1.79 1.86 2iobB1 LYS 606 HG2 0.00 0.10 -0.05 -0.04 1.46 1.47 2iobB1 LYS 606 HG3 0.00 -0.01 -0.01 -0.04 1.46 1.40 2iobB1 LYS 606 HD2 -0.01 -0.04 -0.03 -0.04 1.69 1.57 2iobB1 LYS 606 HD3 -0.01 0.17 -0.48 -0.04 1.68 1.33 2iobB1 LYS 606 HE2 -0.02 0.04 -0.10 -0.04 2.99 2.87 2iobB1 LYS 606 HE3 -0.01 -0.06 -0.03 -0.04 2.99 2.85 2iobB1 LYS 607 H 0.00 0.18 0.13 -0.55 8.42 8.18 2iobB1 LYS 607 HA 0.00 0.15 0.35 -0.75 4.32 4.07 2iobB1 LYS 607 HB2 -0.01 0.01 0.08 -0.04 1.87 1.91 2iobB1 LYS 607 HB3 -0.01 0.03 0.11 -0.04 1.79 1.88 2iobB1 LYS 607 HG2 -0.01 -0.02 0.07 -0.04 1.46 1.46 2iobB1 LYS 607 HG3 -0.01 0.04 -0.18 -0.04 1.46 1.28 2iobB1 LYS 607 HD2 -0.03 -0.01 -0.04 -0.04 1.69 1.57 2iobB1 LYS 607 HD3 -0.02 0.02 0.01 -0.04 1.68 1.65 2iobB1 LYS 607 HE2 -0.01 0.02 -0.00 -0.04 2.99 2.95 2iobB1 LYS 607 HE3 -0.02 -0.00 -0.03 -0.04 2.99 2.89 2iobB1 GLU 608 H 0.01 -0.05 -0.33 -0.55 8.60 7.68 2iobB1 GLU 608 HA 0.01 0.13 0.50 -0.75 4.29 4.18 2iobB1 GLU 608 HB2 0.00 -0.07 0.05 -0.04 2.09 2.03 2iobB1 GLU 608 HB3 0.01 0.00 -0.05 -0.04 1.99 1.91 2iobB1 GLU 608 HG2 0.00 -0.01 0.01 -0.04 2.34 2.31 2iobB1 GLU 608 HG3 0.01 0.02 0.04 -0.04 2.34 2.38 2iobB1 SER 609 H 0.02 0.24 -0.33 -0.55 8.46 7.84 2iobB1 SER 609 HA 0.02 -0.03 0.51 -0.75 4.49 4.24 2iobB1 SER 609 HB2 0.03 0.30 0.16 -0.04 3.95 4.40 2iobB1 SER 609 HB3 0.02 -0.34 0.19 -0.04 3.93 3.76 2iobB1 ASP 610 H 0.03 0.04 0.26 -0.55 8.40 8.18 2iobB1 ASP 610 HA 0.04 0.09 0.50 -0.75 4.63 4.51 2iobB1 ASP 610 HB2 0.03 -0.10 0.03 -0.04 2.71 2.63 2iobB1 ASP 610 HB3 0.03 0.23 0.11 -0.04 2.70 3.04 2iobB1 ILE 611 H 0.04 0.15 0.23 -0.55 8.25 8.12 2iobB1 ILE 611 HA -0.00 0.27 0.74 -0.75 4.18 4.44 2iobB1 ILE 611 HB 0.03 -0.02 0.14 -0.04 1.89 1.99 2iobB1 ILE 611 HG12 0.05 0.05 0.03 -0.04 1.49 1.57 2iobB1 ILE 611 HG13 0.06 -0.16 0.04 -0.04 1.21 1.11 2iobB1 ILE 611 HG23 -0.03 -0.03 -0.20 -0.04 0.93 0.62 2iobB1 ILE 611 HD13 0.02 0.02 -0.04 -0.04 0.88 0.84 2iobB1 GLU 612 H -0.04 0.56 0.21 -0.55 8.60 8.79 2iobB1 GLU 612 HA -0.05 0.17 0.83 -0.75 4.29 4.49 2iobB1 GLU 612 HB2 0.00 -0.06 -0.13 -0.04 2.09 1.86 2iobB1 GLU 612 HB3 0.22 0.06 -0.09 -0.04 1.99 2.13 2iobB1 GLU 612 HG2 0.01 0.04 -0.46 -0.04 2.34 1.89 2iobB1 GLU 612 HG3 0.02 -0.04 -0.26 -0.04 2.34 2.01 2iobB1 PRO 613 HA -0.59 -0.01 0.41 -0.51 4.44 3.75 2iobB1 PRO 613 HB2 -0.85 -0.03 0.11 -0.04 2.28 1.47 2iobB1 PRO 613 HB3 -2.74 0.04 0.02 -0.04 2.02 -0.70 2iobB1 PRO 613 HG2 -0.84 0.19 0.08 -0.04 2.03 1.42 2iobB1 PRO 613 HG3 -1.09 -0.03 0.02 -0.04 2.03 0.90 2iobB1 PRO 613 HD2 -0.17 0.17 0.21 -0.04 3.68 3.84 2iobB1 PRO 613 HD3 -0.22 0.13 0.16 -0.04 3.65 3.67 2iobB1 LEU 614 H -0.25 0.17 0.25 -0.55 8.37 7.99 2iobB1 LEU 614 HA -0.02 0.32 0.95 -0.75 4.35 4.85 2iobB1 LEU 614 HB2 -0.06 0.03 -0.10 -0.04 1.64 1.47 2iobB1 LEU 614 HB3 -0.07 -0.06 0.11 -0.04 1.64 1.58 2iobB1 LEU 614 HG -0.07 -0.05 -0.35 -0.04 1.64 1.13 2iobB1 LEU 614 HD13 -0.02 0.01 -0.23 -0.04 0.93 0.65 2iobB1 LEU 614 HD23 -0.04 0.00 -0.30 -0.04 0.89 0.52 2iobB1 ILE 615 H -0.00 0.63 0.32 -0.55 8.25 8.65 2iobB1 ILE 615 HA -0.20 0.23 0.76 -0.75 4.18 4.22 2iobB1 ILE 615 HB 0.05 0.03 -0.04 -0.04 1.89 1.88 2iobB1 ILE 615 HG12 -0.19 -0.05 -0.75 -0.04 1.49 0.46 2iobB1 ILE 615 HG13 -0.68 -0.01 -0.26 -0.04 1.21 0.22 2iobB1 ILE 615 HG23 -0.26 -0.03 -0.32 -0.04 0.93 0.28 2iobB1 ILE 615 HD13 -0.38 0.01 -0.26 -0.04 0.88 0.21 2iobB1 VAL 616 H -0.52 0.84 0.36 -0.55 8.24 8.37 2iobB1 VAL 616 HA -0.19 0.15 0.93 -0.75 4.13 4.26 2iobB1 VAL 616 HB -1.79 -0.00 0.15 -0.04 2.12 0.44 2iobB1 VAL 616 HG13 -0.04 -0.00 -0.31 -0.04 0.97 0.57 2iobB1 VAL 616 HG23 -0.23 0.01 -0.02 -0.04 0.95 0.66 2iobB1 VAL 617 H -0.04 0.68 0.34 -0.55 8.24 8.67 2iobB1 VAL 617 HA 0.06 0.16 0.95 -0.75 4.13 4.54 2iobB1 VAL 617 HB 0.05 0.02 -0.23 -0.04 2.12 1.92 2iobB1 VAL 617 HG13 0.04 0.03 -0.16 -0.04 0.97 0.84 2iobB1 VAL 617 HG23 0.11 0.00 0.01 -0.04 0.95 1.03 2iobB1 LYS 618 H 0.10 0.19 0.05 -0.55 8.42 8.20 2iobB1 LYS 618 HA 0.09 0.03 0.47 -0.75 4.32 4.15 2iobB1 LYS 618 HB2 0.08 0.03 0.10 -0.04 1.87 2.04 2iobB1 LYS 618 HB3 0.07 0.05 0.09 -0.04 1.79 1.96 2iobB1 LYS 618 HG2 0.12 -0.03 -0.01 -0.04 1.46 1.51 2iobB1 LYS 618 HG3 0.12 0.04 0.02 -0.04 1.46 1.60 2iobB1 LYS 618 HD2 0.08 0.03 0.02 -0.04 1.69 1.77 2iobB1 LYS 618 HD3 0.07 0.00 0.03 -0.04 1.68 1.74 2iobB1 LYS 618 HE2 0.11 -0.03 -0.01 -0.04 2.99 3.02 2iobB1 LYS 618 HE3 0.09 0.04 -0.01 -0.04 2.99 3.08