============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 91 rings ring int. center anis. iso. TYR 11 0.840 13.994 8.757 9.208 -99.200 -91.000 TYR 14 0.840 9.778 15.230 11.893 -99.200 -91.000 TRP 28 1.040 7.813 36.833 8.036 -99.200 -91.000 TRP6 28 1.020 7.874 34.898 9.399 -99.200 -91.000 PHE 31 1.000 10.816 30.335 7.857 -99.200 -91.000 TRP 37 1.040 18.712 24.112 0.109 -99.200 -91.000 TRP6 37 1.020 19.313 22.801 -1.767 -99.200 -91.000 PHE 43 1.000 16.241 18.621 6.943 -99.200 -91.000 TYR 44 0.840 5.877 15.309 6.658 -99.200 -91.000 PHE 50 1.000 5.365 28.961 17.216 -99.200 -91.000 TRP 51 1.040 11.012 31.090 22.711 -99.200 -91.000 TRP6 51 1.020 12.143 29.320 23.785 -99.200 -91.000 TRP 52 1.040 3.552 31.045 29.572 -99.200 -91.000 TRP6 52 1.020 3.838 29.955 31.646 -99.200 -91.000 PHE 63 1.000 -3.641 33.488 26.221 -99.200 -91.000 PHE 65 1.000 -1.937 32.478 21.413 -99.200 -91.000 TYR 67 0.840 7.572 34.498 15.282 -99.200 -91.000 PHE 71 1.000 7.782 29.179 11.983 -99.200 -91.000 HIS 89 0.900 11.796 25.407 27.263 -99.200 -91.000 TRP 106 1.040 2.014 37.352 33.460 -99.200 -91.000 TRP6 106 1.020 0.665 35.431 33.762 -99.200 -91.000 TRP 108 1.040 8.411 34.100 38.268 -99.200 -91.000 TRP6 108 1.020 8.944 31.820 38.644 -99.200 -91.000 TYR 117 0.840 11.402 30.064 44.530 -99.200 -91.000 PHE 118 1.000 12.481 23.256 39.512 -99.200 -91.000 TYR 142 0.840 2.777 24.302 31.910 -99.200 -91.000 TYR 146 0.840 -0.305 22.732 27.078 -99.200 -91.000 PHE 149 1.000 0.187 27.043 19.579 -99.200 -91.000 TYR 156 0.840 -2.578 29.954 10.127 -99.200 -91.000 TYR 164 0.840 8.395 17.157 19.547 -99.200 -91.000 TYR 175 0.840 13.042 17.233 40.117 -99.200 -91.000 TYR 178 0.840 21.718 18.920 32.854 -99.200 -91.000 TYR 186 0.840 30.308 17.029 29.797 -99.200 -91.000 PHE 192 1.000 19.640 13.829 44.630 -99.200 -91.000 TYR 195 0.840 18.007 19.754 49.112 -99.200 -91.000 PHE 198 1.000 4.376 23.151 47.617 -99.200 -91.000 PHE 203 1.000 11.179 12.576 51.293 -99.200 -91.000 TRP 206 1.040 5.241 9.948 48.211 -99.200 -91.000 TRP6 206 1.020 6.946 8.404 48.769 -99.200 -91.000 TYR 211 0.840 7.338 3.813 55.034 -99.200 -91.000 TRP 221 1.040 12.641 5.560 55.599 -99.200 -91.000 TRP6 221 1.020 12.372 7.900 55.623 -99.200 -91.000 PHE 240 1.000 19.980 9.713 48.212 -99.200 -91.000 TYR 245 0.840 23.133 4.089 45.151 -99.200 -91.000 TYR 249 0.840 16.540 9.540 53.277 -99.200 -91.000 TYR 253 0.840 15.138 12.775 47.857 -99.200 -91.000 TRP 256 1.040 8.072 13.151 47.006 -99.200 -91.000 TRP6 256 1.020 9.636 14.923 46.962 -99.200 -91.000 TYR 257 0.840 14.768 14.679 42.799 -99.200 -91.000 HIS 264 0.900 5.123 18.984 34.728 -99.200 -91.000 HIS 273 0.900 -3.230 13.178 24.140 -99.200 -91.000 PHE 276 1.000 -2.697 21.586 21.702 -99.200 -91.000 PHE 280 1.000 -4.621 22.254 16.105 -99.200 -91.000 HIS 292 0.900 26.755 12.852 27.475 -99.200 -91.000 TRP 293 1.040 27.071 15.171 33.120 -99.200 -91.000 TRP6 293 1.020 25.469 15.916 31.556 -99.200 -91.000 TYR 295 0.840 25.107 4.737 31.730 -99.200 -91.000 HIS 302 0.900 23.610 4.874 36.116 -99.200 -91.000 TYR 310 0.840 15.925 12.088 33.142 -99.200 -91.000 TYR 313 0.840 17.048 6.676 32.161 -99.200 -91.000 HIS 315 0.900 7.511 3.255 38.218 -99.200 -91.000 PHE 320 1.000 7.763 10.750 28.547 -99.200 -91.000 PHE 329 1.000 17.730 9.450 25.460 -99.200 -91.000 TYR 340 0.840 39.621 11.157 36.687 -99.200 -91.000 TYR 343 0.840 34.365 7.708 35.688 -99.200 -91.000 TYR 378 0.840 24.897 15.162 8.752 -99.200 -91.000 PHE 386 1.000 17.851 5.719 8.671 -99.200 -91.000 TYR 388 0.840 19.755 0.210 18.805 -99.200 -91.000 PHE 390 1.000 15.787 6.562 17.923 -99.200 -91.000 PHE 393 1.000 18.634 13.293 13.464 -99.200 -91.000 TYR 398 0.840 16.716 28.044 8.846 -99.200 -91.000 TYR 403 0.840 22.522 30.421 6.956 -99.200 -91.000 PHE 411 1.000 19.292 15.383 7.377 -99.200 -91.000 TYR 438 0.840 19.378 -13.375 10.165 -99.200 -91.000 TRP 449 1.040 28.873 -4.006 4.041 -99.200 -91.000 TRP6 449 1.020 27.954 -5.561 2.517 -99.200 -91.000 TYR 454 0.840 23.107 -2.511 14.646 -99.200 -91.000 TYR 459 0.840 10.532 -13.854 8.491 -99.200 -91.000 TYR 460 0.840 11.480 -22.652 1.994 -99.200 -91.000 HIS 463 0.900 2.438 -22.261 -0.676 -99.200 -91.000 TRP 467 1.040 15.407 -19.346 2.645 -99.200 -91.000 TRP6 467 1.020 15.127 -19.223 4.989 -99.200 -91.000 PHE 481 1.000 20.669 -6.572 -1.782 -99.200 -91.000 PHE 484 1.000 24.119 -12.809 7.473 -99.200 -91.000 TRP 495 1.040 29.251 -13.815 4.364 -99.200 -91.000 TRP6 495 1.020 28.047 -11.800 4.637 -99.200 -91.000 TRP 502 1.040 16.644 -2.440 -6.439 -99.200 -91.000 TRP6 502 1.020 15.123 -3.447 -4.925 -99.200 -91.000 HIS 512 0.900 18.076 -7.223 -6.113 -99.200 -91.000 TRP 516 1.040 24.164 -19.442 -1.323 -99.200 -91.000 TRP6 516 1.020 23.806 -18.078 0.575 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1j0yB1 ALA 1 HA -0.15 -0.23 0.23 -0.75 4.34 3.43 1j0yB1 ALA 1 HB3 -0.04 -0.02 -0.21 -0.04 1.41 1.10 1j0yB1 VAL 2 H -0.19 0.54 0.23 -0.55 8.24 8.27 1j0yB1 VAL 2 HA 0.06 0.20 0.53 -0.75 4.13 4.17 1j0yB1 VAL 2 HB -0.19 0.02 0.16 -0.04 2.12 2.07 1j0yB1 VAL 2 HG13 -0.01 -0.04 -0.04 -0.04 0.97 0.84 1j0yB1 VAL 2 HG23 -0.57 0.03 0.05 -0.04 0.95 0.42 1j0yB1 ASN 3 H 0.05 0.17 0.27 -0.55 8.53 8.47 1j0yB1 ASN 3 HA 0.07 -0.03 0.36 -0.75 4.76 4.40 1j0yB1 ASN 3 HB2 0.03 0.25 -0.03 -0.04 2.88 3.09 1j0yB1 ASN 3 HB3 0.05 -0.05 0.22 -0.04 2.79 2.97 1j0yB1 ASN 3 HD21 0.03 -0.06 -0.04 -0.04 7.03 6.92 1j0yB1 ASN 3 HD22 0.03 0.06 -0.08 -0.04 7.74 7.71 1j0yB1 GLY 4 H 0.11 0.37 -0.08 -0.55 8.43 8.28 1j0yB1 GLY 4 HA2 0.20 0.39 0.41 -0.51 4.01 4.50 1j0yB1 GLY 4 HA3 0.14 -0.10 0.48 -0.51 4.01 4.02 1j0yB1 LYS 5 H 0.06 0.24 -0.58 -0.55 8.42 7.58 1j0yB1 LYS 5 HA 0.06 0.02 0.64 -0.75 4.32 4.29 1j0yB1 LYS 5 HB2 0.03 -0.12 0.12 -0.04 1.87 1.85 1j0yB1 LYS 5 HB3 0.04 -0.07 -0.00 -0.04 1.79 1.72 1j0yB1 LYS 5 HG2 0.02 0.52 -0.11 -0.04 1.46 1.84 1j0yB1 LYS 5 HG3 0.00 0.05 -0.30 -0.04 1.46 1.17 1j0yB1 LYS 5 HD2 0.02 -0.11 -0.04 -0.04 1.69 1.51 1j0yB1 LYS 5 HD3 -0.00 -0.04 -0.07 -0.04 1.68 1.53 1j0yB1 LYS 5 HE2 0.01 -0.12 -0.09 -0.04 2.99 2.75 1j0yB1 LYS 5 HE3 0.00 0.02 -0.13 -0.04 2.99 2.84 1j0yB1 GLY 6 H 0.02 0.00 0.13 -0.55 8.43 8.03 1j0yB1 GLY 6 HA2 -0.01 0.38 0.89 -0.51 4.01 4.76 1j0yB1 GLY 6 HA3 -0.02 -0.13 0.42 -0.51 4.01 3.78 1j0yB1 MET 7 H -0.07 0.14 0.19 -0.55 8.47 8.18 1j0yB1 MET 7 HA 0.04 0.16 0.58 -0.75 4.52 4.54 1j0yB1 MET 7 HB2 -0.00 -0.03 0.09 -0.04 2.15 2.16 1j0yB1 MET 7 HB3 -0.16 0.01 0.15 -0.04 2.03 1.99 1j0yB1 MET 7 HG2 -0.14 0.05 -0.08 -0.04 2.63 2.42 1j0yB1 MET 7 HG3 -0.08 0.06 -0.45 -0.04 2.56 2.05 1j0yB1 MET 7 HE3 -0.52 0.03 -0.17 -0.04 2.10 1.39 1j0yB1 ASN 8 H 0.12 0.14 0.11 -0.55 8.53 8.36 1j0yB1 ASN 8 HA 0.05 0.11 0.46 -0.75 4.76 4.62 1j0yB1 ASN 8 HB2 0.12 0.01 -0.11 -0.04 2.88 2.86 1j0yB1 ASN 8 HB3 0.20 0.10 0.09 -0.04 2.79 3.13 1j0yB1 ASN 8 HD21 0.04 -0.06 -0.04 -0.04 7.03 6.92 1j0yB1 ASN 8 HD22 0.06 0.25 -0.18 -0.04 7.74 7.83 1j0yB1 PRO 9 HA 0.01 0.11 0.35 -0.51 4.44 4.39 1j0yB1 PRO 9 HB2 -0.01 0.03 0.02 -0.04 2.28 2.28 1j0yB1 PRO 9 HB3 -0.01 -0.01 0.06 -0.04 2.02 2.02 1j0yB1 PRO 9 HG2 0.01 0.01 0.04 -0.04 2.03 2.05 1j0yB1 PRO 9 HG3 0.00 0.01 0.06 -0.04 2.03 2.06 1j0yB1 PRO 9 HD2 0.03 0.06 0.22 -0.04 3.68 3.95 1j0yB1 PRO 9 HD3 0.01 0.23 0.22 -0.04 3.65 4.08 1j0yB1 ASP 10 H 0.05 0.03 -0.35 -0.55 8.40 7.58 1j0yB1 ASP 10 HA -0.02 0.20 0.73 -0.75 4.63 4.78 1j0yB1 ASP 10 HB2 0.03 -0.03 0.02 -0.04 2.71 2.68 1j0yB1 ASP 10 HB3 -0.01 0.02 0.13 -0.04 2.70 2.79 1j0yB1 TYR 11 H 0.16 0.30 -0.35 -0.55 8.29 7.85 1j0yB1 TYR 11 HA 0.04 0.26 0.37 -0.75 4.56 4.48 1j0yB1 TYR 11 HB2 0.12 0.02 0.08 -0.04 3.06 3.24 1j0yB1 TYR 11 HB3 0.04 0.02 0.04 -0.04 2.98 3.04 1j0yB1 TYR 11 HD2 0.08 0.10 -0.28 -0.04 7.15 7.01 1j0yB1 TYR 11 HE2 0.03 -0.00 -0.16 -0.04 6.85 6.67 1j0yB1 LYS 12 H -0.69 0.32 0.37 -0.55 8.42 7.87 1j0yB1 LYS 12 HA -0.49 0.23 0.89 -0.75 4.32 4.19 1j0yB1 LYS 12 HB2 -0.53 -0.10 0.06 -0.04 1.87 1.25 1j0yB1 LYS 12 HB3 -0.56 -0.09 0.03 -0.04 1.79 1.14 1j0yB1 LYS 12 HG2 -0.26 0.35 -0.28 -0.04 1.46 1.22 1j0yB1 LYS 12 HG3 -0.29 -0.09 -0.04 -0.04 1.46 0.99 1j0yB1 LYS 12 HD2 -0.64 -0.11 0.04 -0.04 1.69 0.94 1j0yB1 LYS 12 HD3 -0.32 0.19 0.01 -0.04 1.68 1.51 1j0yB1 LYS 12 HE2 -1.12 -0.07 -0.02 -0.04 2.99 1.74 1j0yB1 LYS 12 HE3 -0.57 -0.03 -0.00 -0.04 2.99 2.35 1j0yB1 ALA 13 H -0.36 0.32 0.26 -0.55 8.40 8.07 1j0yB1 ALA 13 HA -0.19 0.13 1.03 -0.75 4.34 4.56 1j0yB1 ALA 13 HB3 0.10 0.07 0.02 -0.04 1.41 1.55 1j0yB1 TYR 14 H 0.09 0.71 0.45 -0.55 8.29 8.99 1j0yB1 TYR 14 HA 0.26 0.23 1.04 -0.75 4.56 5.33 1j0yB1 TYR 14 HB2 0.05 -0.13 -0.08 -0.04 3.06 2.86 1j0yB1 TYR 14 HB3 0.08 0.02 -0.08 -0.04 2.98 2.97 1j0yB1 TYR 14 HD2 0.11 -0.09 -0.20 -0.04 7.15 6.93 1j0yB1 TYR 14 HE2 0.17 0.02 -0.18 -0.04 6.85 6.83 1j0yB1 LEU 15 H 0.13 0.61 0.38 -0.55 8.37 8.94 1j0yB1 LEU 15 HA -0.13 0.12 1.02 -0.75 4.35 4.59 1j0yB1 LEU 15 HB2 -1.41 0.06 -0.05 -0.04 1.64 0.21 1j0yB1 LEU 15 HB3 -0.30 0.02 0.09 -0.04 1.64 1.41 1j0yB1 LEU 15 HG -0.11 0.03 -0.17 -0.04 1.64 1.35 1j0yB1 LEU 15 HD13 -0.46 0.00 -0.03 -0.04 0.93 0.41 1j0yB1 LEU 15 HD23 -0.53 0.00 -0.06 -0.04 0.89 0.25 1j0yB1 MET 16 H -0.05 0.57 0.28 -0.55 8.47 8.73 1j0yB1 MET 16 HA -0.02 0.13 0.72 -0.75 4.52 4.60 1j0yB1 MET 16 HB2 -0.04 0.02 -0.09 -0.04 2.15 2.00 1j0yB1 MET 16 HB3 -0.01 -0.22 0.26 -0.04 2.03 2.02 1j0yB1 MET 16 HG2 -0.02 -0.08 -0.04 -0.04 2.63 2.45 1j0yB1 MET 16 HG3 -0.02 0.26 -0.07 -0.04 2.56 2.69 1j0yB1 MET 16 HE3 -0.10 -0.00 -0.17 -0.04 2.10 1.79 1j0yB1 ALA 17 H -0.02 0.69 0.38 -0.55 8.40 8.90 1j0yB1 ALA 17 HA -0.00 0.01 0.55 -0.75 4.34 4.15 1j0yB1 ALA 17 HB3 0.02 -0.02 0.14 -0.04 1.41 1.51 1j0yB1 PRO 18 HA 0.00 -0.03 0.41 -0.51 4.44 4.31 1j0yB1 PRO 18 HB2 -0.08 0.28 -0.04 -0.04 2.28 2.39 1j0yB1 PRO 18 HB3 -0.03 -0.05 0.11 -0.04 2.02 2.01 1j0yB1 PRO 18 HG2 -0.40 0.07 0.02 -0.04 2.03 1.69 1j0yB1 PRO 18 HG3 -0.27 -0.06 0.08 -0.04 2.03 1.73 1j0yB1 PRO 18 HD2 -0.24 0.14 0.15 -0.04 3.68 3.69 1j0yB1 PRO 18 HD3 -0.57 0.12 0.23 -0.04 3.65 3.39 1j0yB1 LEU 19 H 0.04 0.04 0.16 -0.55 8.37 8.05 1j0yB1 LEU 19 HA 0.18 0.17 0.62 -0.75 4.35 4.57 1j0yB1 LEU 19 HB2 0.05 -0.06 0.07 -0.04 1.64 1.66 1j0yB1 LEU 19 HB3 0.08 -0.05 -0.06 -0.04 1.64 1.58 1j0yB1 LEU 19 HG 0.09 0.03 0.00 -0.04 1.64 1.72 1j0yB1 LEU 19 HD13 0.07 -0.02 0.07 -0.04 0.93 1.01 1j0yB1 LEU 19 HD23 0.31 0.03 -0.02 -0.04 0.89 1.17 1j0yB1 LYS 20 H 0.01 -0.05 -0.02 -0.55 8.42 7.81 1j0yB1 LYS 20 HA -0.01 0.08 0.57 -0.75 4.32 4.21 1j0yB1 LYS 20 HB2 -0.03 0.03 -0.10 -0.04 1.87 1.72 1j0yB1 LYS 20 HB3 -0.04 0.01 0.05 -0.04 1.79 1.77 1j0yB1 LYS 20 HG2 -0.02 0.20 0.07 -0.04 1.46 1.66 1j0yB1 LYS 20 HG3 -0.00 -0.18 0.08 -0.04 1.46 1.32 1j0yB1 LYS 20 HD2 -0.00 -0.04 0.02 -0.04 1.69 1.63 1j0yB1 LYS 20 HD3 -0.01 0.04 -0.05 -0.04 1.68 1.61 1j0yB1 LYS 20 HE2 -0.02 0.05 -0.00 -0.04 2.99 2.98 1j0yB1 LYS 20 HE3 -0.03 -0.02 -0.00 -0.04 2.99 2.89 1j0yB1 LYS 21 H -0.06 0.08 0.12 -0.55 8.42 8.01 1j0yB1 LYS 21 HA 0.01 0.14 0.37 -0.75 4.32 4.09 1j0yB1 LYS 21 HB2 -0.14 -0.03 0.09 -0.04 1.87 1.75 1j0yB1 LYS 21 HB3 -0.22 -0.00 0.06 -0.04 1.79 1.59 1j0yB1 LYS 21 HG2 -0.47 0.07 0.03 -0.04 1.46 1.05 1j0yB1 LYS 21 HG3 -0.16 0.01 0.07 -0.04 1.46 1.34 1j0yB1 LYS 21 HD2 -0.25 0.01 0.02 -0.04 1.69 1.43 1j0yB1 LYS 21 HD3 -1.04 -0.01 0.02 -0.04 1.68 0.61 1j0yB1 LYS 21 HE2 -0.33 0.00 0.02 -0.04 2.99 2.63 1j0yB1 LYS 21 HE3 -0.12 0.02 0.02 -0.04 2.99 2.87 1j0yB1 ILE 22 H 0.09 0.16 0.13 -0.55 8.25 8.08 1j0yB1 ILE 22 HA -0.33 0.08 0.31 -0.75 4.18 3.49 1j0yB1 ILE 22 HB -1.11 0.02 0.08 -0.04 1.89 0.84 1j0yB1 ILE 22 HG12 -0.18 0.02 0.07 -0.04 1.49 1.35 1j0yB1 ILE 22 HG13 -1.54 0.06 -0.00 -0.04 1.21 -0.32 1j0yB1 ILE 22 HG23 -1.02 0.00 -0.28 -0.04 0.93 -0.42 1j0yB1 ILE 22 HD13 -0.53 0.01 -0.03 -0.04 0.88 0.29 1j0yB1 PRO 23 HA -0.33 0.33 0.52 -0.51 4.44 4.44 1j0yB1 PRO 23 HB2 -0.05 0.02 -0.04 -0.04 2.28 2.17 1j0yB1 PRO 23 HB3 -0.08 0.04 0.10 -0.04 2.02 2.03 1j0yB1 PRO 23 HG2 0.20 0.05 0.02 -0.04 2.03 2.26 1j0yB1 PRO 23 HG3 -0.54 0.01 0.02 -0.04 2.03 1.48 1j0yB1 PRO 23 HD2 -0.01 0.04 -0.08 -0.04 3.68 3.59 1j0yB1 PRO 23 HD3 -0.36 0.06 0.09 -0.04 3.65 3.39 1j0yB1 GLU 24 H -0.12 0.28 -0.53 -0.55 8.60 7.68 1j0yB1 GLU 24 HA -0.06 0.10 0.53 -0.75 4.29 4.11 1j0yB1 GLU 24 HB2 -0.07 0.14 -0.01 -0.04 2.09 2.11 1j0yB1 GLU 24 HB3 -0.05 -0.02 0.07 -0.04 1.99 1.95 1j0yB1 GLU 24 HG2 -0.05 0.04 -0.00 -0.04 2.34 2.29 1j0yB1 GLU 24 HG3 -0.07 -0.08 -0.05 -0.04 2.34 2.10 1j0yB1 VAL 25 H -0.13 0.34 -0.28 -0.55 8.24 7.62 1j0yB1 VAL 25 HA -0.02 0.15 0.88 -0.75 4.13 4.39 1j0yB1 VAL 25 HB -0.10 0.04 0.05 -0.04 2.12 2.07 1j0yB1 VAL 25 HG13 0.10 -0.03 -0.09 -0.04 0.97 0.91 1j0yB1 VAL 25 HG23 -0.05 0.02 -0.18 -0.04 0.95 0.69 1j0yB1 THR 26 H -0.15 0.67 0.20 -0.55 8.28 8.45 1j0yB1 THR 26 HA -0.03 0.11 0.45 -0.75 4.39 4.16 1j0yB1 THR 26 HB 0.07 0.15 -0.19 -0.04 4.32 4.31 1j0yB1 THR 26 HG23 0.00 0.01 -0.12 -0.04 1.22 1.07 1j0yB1 ASN 27 H -0.01 0.10 0.17 -0.55 8.53 8.24 1j0yB1 ASN 27 HA -0.19 0.28 0.91 -0.75 4.76 5.01 1j0yB1 ASN 27 HB2 0.04 -0.03 0.16 -0.04 2.88 3.01 1j0yB1 ASN 27 HB3 -0.01 0.14 0.03 -0.04 2.79 2.91 1j0yB1 ASN 27 HD21 0.04 0.05 0.01 -0.04 7.03 7.09 1j0yB1 ASN 27 HD22 0.02 0.10 0.00 -0.04 7.74 7.82 1j0yB1 TRP 28 H 0.08 0.22 0.13 -0.55 7.97 7.86 1j0yB1 TRP 28 HA 0.14 0.10 0.34 -0.75 4.62 4.45 1j0yB1 TRP 28 HB2 0.05 0.00 0.13 -0.04 3.23 3.38 1j0yB1 TRP 28 HB3 0.07 0.10 0.03 -0.04 3.23 3.39 1j0yB1 TRP 28 HD1 0.04 0.01 0.06 -0.04 7.22 7.29 1j0yB1 TRP 28 HE1 0.06 0.01 0.00 -0.04 10.20 10.24 1j0yB1 TRP 28 HE3 0.16 -0.01 0.02 -0.04 7.59 7.72 1j0yB1 TRP 28 HZ2 0.09 -0.02 -0.02 -0.04 7.44 7.44 1j0yB1 TRP 28 HZ3 -0.55 0.06 0.01 -0.04 7.13 6.61 1j0yB1 TRP 28 HH2 -0.21 0.01 -0.02 -0.04 7.19 6.93 1j0yB1 GLU 29 H 0.21 0.08 -0.12 -0.55 8.60 8.23 1j0yB1 GLU 29 HA 0.15 0.18 0.41 -0.75 4.29 4.28 1j0yB1 GLU 29 HB2 0.10 -0.04 0.02 -0.04 2.09 2.13 1j0yB1 GLU 29 HB3 0.08 0.09 0.01 -0.04 1.99 2.14 1j0yB1 GLU 29 HG2 0.08 0.07 0.01 -0.04 2.34 2.46 1j0yB1 GLU 29 HG3 0.11 0.08 0.01 -0.04 2.34 2.49 1j0yB1 THR 30 H 0.12 0.05 -0.21 -0.55 8.28 7.70 1j0yB1 THR 30 HA 0.08 0.14 0.53 -0.75 4.39 4.39 1j0yB1 THR 30 HB 0.11 0.00 0.13 -0.04 4.32 4.52 1j0yB1 THR 30 HG23 0.10 0.02 -0.03 -0.04 1.22 1.27 1j0yB1 PHE 31 H 0.26 0.42 -0.10 -0.55 8.34 8.37 1j0yB1 PHE 31 HA 0.13 0.01 0.33 -0.75 4.62 4.34 1j0yB1 PHE 31 HB2 -0.06 -0.03 0.01 -0.04 3.15 3.03 1j0yB1 PHE 31 HB3 0.11 0.12 0.12 -0.04 3.06 3.37 1j0yB1 PHE 31 HD2 0.21 -0.01 -0.03 -0.04 7.28 7.41 1j0yB1 PHE 31 HE2 -0.27 0.04 -0.05 -0.04 7.38 7.06 1j0yB1 PHE 31 HZ -0.52 0.04 -0.07 -0.04 7.32 6.73 1j0yB1 GLU 32 H 0.15 0.37 -0.30 -0.55 8.60 8.28 1j0yB1 GLU 32 HA -0.24 0.08 0.40 -0.75 4.29 3.77 1j0yB1 GLU 32 HB2 0.05 0.05 0.12 -0.04 2.09 2.27 1j0yB1 GLU 32 HB3 -0.01 0.06 -0.03 -0.04 1.99 1.96 1j0yB1 GLU 32 HG2 -0.01 0.21 0.09 -0.04 2.34 2.58 1j0yB1 GLU 32 HG3 0.17 0.10 0.10 -0.04 2.34 2.67 1j0yB1 ASN 33 H 0.05 0.32 -0.24 -0.55 8.53 8.11 1j0yB1 ASN 33 HA 0.04 0.10 0.54 -0.75 4.76 4.68 1j0yB1 ASN 33 HB2 0.05 0.07 0.21 -0.04 2.88 3.17 1j0yB1 ASN 33 HB3 0.04 -0.04 0.06 -0.04 2.79 2.81 1j0yB1 ASN 33 HD21 0.04 -0.06 0.00 -0.04 7.03 6.97 1j0yB1 ASN 33 HD22 0.05 -0.08 0.04 -0.04 7.74 7.70 1j0yB1 ASP 34 H 0.06 0.48 -0.15 -0.55 8.40 8.25 1j0yB1 ASP 34 HA 0.16 0.04 0.46 -0.75 4.63 4.54 1j0yB1 ASP 34 HB2 0.17 0.15 0.12 -0.04 2.71 3.11 1j0yB1 ASP 34 HB3 0.04 -0.06 -0.05 -0.04 2.70 2.60 1j0yB1 LEU 35 H -0.13 0.46 -0.19 -0.55 8.37 7.97 1j0yB1 LEU 35 HA -0.08 -0.01 0.46 -0.75 4.35 3.96 1j0yB1 LEU 35 HB2 -0.22 0.18 0.14 -0.04 1.64 1.69 1j0yB1 LEU 35 HB3 -0.16 0.04 -0.01 -0.04 1.64 1.48 1j0yB1 LEU 35 HG -0.83 0.20 0.03 -0.04 1.64 1.00 1j0yB1 LEU 35 HD13 -0.67 -0.01 -0.12 -0.04 0.93 0.10 1j0yB1 LEU 35 HD23 -0.15 -0.03 -0.06 -0.04 0.89 0.62 1j0yB1 ARG 36 H 0.01 0.34 -0.22 -0.55 8.46 8.03 1j0yB1 ARG 36 HA 0.03 0.18 0.49 -0.75 4.34 4.28 1j0yB1 ARG 36 HB2 0.08 0.01 0.19 -0.04 1.90 2.14 1j0yB1 ARG 36 HB3 0.08 -0.05 0.04 -0.04 1.80 1.83 1j0yB1 ARG 36 HG2 0.01 0.18 0.11 -0.04 1.67 1.93 1j0yB1 ARG 36 HG3 -0.01 0.12 0.15 -0.04 1.67 1.90 1j0yB1 ARG 36 HD2 0.03 -0.11 0.00 -0.04 3.22 3.10 1j0yB1 ARG 36 HD3 0.03 -0.04 0.02 -0.04 3.22 3.19 1j0yB1 TRP 37 H 0.25 0.45 -0.18 -0.55 7.97 7.94 1j0yB1 TRP 37 HA 0.01 0.03 0.46 -0.75 4.62 4.37 1j0yB1 TRP 37 HB2 0.00 -0.02 0.12 -0.04 3.23 3.30 1j0yB1 TRP 37 HB3 -0.03 0.08 0.21 -0.04 3.23 3.45 1j0yB1 TRP 37 HD1 -0.05 -0.03 -0.03 -0.04 7.22 7.06 1j0yB1 TRP 37 HE1 0.01 -0.00 -0.05 -0.04 10.20 10.11 1j0yB1 TRP 37 HE3 0.02 0.03 0.05 -0.04 7.59 7.65 1j0yB1 TRP 37 HZ2 0.04 -0.05 -0.03 -0.04 7.44 7.36 1j0yB1 TRP 37 HZ3 0.03 0.02 -0.02 -0.04 7.13 7.12 1j0yB1 TRP 37 HH2 0.03 -0.02 -0.03 -0.04 7.19 7.14 1j0yB1 ALA 38 H 0.04 0.49 -0.26 -0.55 8.40 8.12 1j0yB1 ALA 38 HA -0.20 -0.04 0.31 -0.75 4.34 3.65 1j0yB1 ALA 38 HB3 -0.17 0.01 0.04 -0.04 1.41 1.25 1j0yB1 LYS 39 H 0.00 0.53 -0.20 -0.55 8.42 8.20 1j0yB1 LYS 39 HA 0.07 0.29 0.49 -0.75 4.32 4.42 1j0yB1 LYS 39 HB2 0.00 0.03 0.11 -0.04 1.87 1.97 1j0yB1 LYS 39 HB3 0.01 0.04 0.14 -0.04 1.79 1.94 1j0yB1 LYS 39 HG2 0.02 -0.09 -0.10 -0.04 1.46 1.25 1j0yB1 LYS 39 HG3 0.02 0.10 0.10 -0.04 1.46 1.64 1j0yB1 LYS 39 HD2 0.00 -0.05 0.04 -0.04 1.69 1.63 1j0yB1 LYS 39 HD3 -0.02 0.08 -0.02 -0.04 1.68 1.68 1j0yB1 LYS 39 HE2 0.01 -0.01 0.04 -0.04 2.99 2.98 1j0yB1 LYS 39 HE3 0.02 -0.11 0.00 -0.04 2.99 2.86 1j0yB1 GLN 40 H -0.04 0.37 -0.38 -0.55 8.47 7.86 1j0yB1 GLN 40 HA -0.03 0.05 0.46 -0.75 4.36 4.08 1j0yB1 GLN 40 HB2 0.08 0.02 0.13 -0.04 2.15 2.34 1j0yB1 GLN 40 HB3 -0.09 0.15 0.14 -0.04 2.02 2.19 1j0yB1 GLN 40 HG2 -0.05 -0.02 -0.05 -0.04 2.40 2.23 1j0yB1 GLN 40 HG3 0.03 -0.01 0.12 -0.04 2.39 2.49 1j0yB1 GLN 40 HE21 0.22 -0.07 0.01 -0.04 6.97 7.08 1j0yB1 GLN 40 HE22 0.15 0.00 0.02 -0.04 7.69 7.82 1j0yB1 ASN 41 H -0.20 0.32 -0.54 -0.55 8.53 7.56 1j0yB1 ASN 41 HA -0.21 0.15 0.85 -0.75 4.76 4.80 1j0yB1 ASN 41 HB2 -0.24 0.05 0.09 -0.04 2.88 2.75 1j0yB1 ASN 41 HB3 -0.15 -0.10 0.18 -0.04 2.79 2.69 1j0yB1 ASN 41 HD21 -3.49 -0.14 -0.09 -0.04 7.03 3.27 1j0yB1 ASN 41 HD22 -1.46 0.46 -0.03 -0.04 7.74 6.67 1j0yB1 GLY 42 H -0.06 0.39 -0.38 -0.55 8.43 7.84 1j0yB1 GLY 42 HA2 -0.05 0.06 0.24 -0.51 4.01 3.75 1j0yB1 GLY 42 HA3 -0.12 0.16 0.68 -0.51 4.01 4.22 1j0yB1 PHE 43 H 0.13 0.37 -0.09 -0.55 8.34 8.19 1j0yB1 PHE 43 HA 0.06 0.14 0.63 -0.75 4.62 4.69 1j0yB1 PHE 43 HB2 -0.05 0.01 -0.24 -0.04 3.15 2.83 1j0yB1 PHE 43 HB3 0.01 -0.05 -0.16 -0.04 3.06 2.82 1j0yB1 PHE 43 HD2 -0.08 0.11 -0.32 -0.04 7.28 6.95 1j0yB1 PHE 43 HE2 -0.36 -0.00 -0.15 -0.04 7.38 6.83 1j0yB1 PHE 43 HZ -1.13 -0.13 -0.12 -0.04 7.32 5.90 1j0yB1 TYR 44 H 0.21 0.59 0.39 -0.55 8.29 8.93 1j0yB1 TYR 44 HA 0.06 0.17 0.69 -0.75 4.56 4.73 1j0yB1 TYR 44 HB2 -0.05 0.06 0.13 -0.04 3.06 3.15 1j0yB1 TYR 44 HB3 -0.01 -0.06 0.11 -0.04 2.98 2.98 1j0yB1 TYR 44 HD2 0.19 -0.02 -0.09 -0.04 7.15 7.19 1j0yB1 TYR 44 HE2 0.06 -0.01 -0.04 -0.04 6.85 6.82 1j0yB1 ALA 45 H 0.41 0.19 0.20 -0.55 8.40 8.66 1j0yB1 ALA 45 HA 0.01 0.26 0.71 -0.75 4.34 4.56 1j0yB1 ALA 45 HB3 0.16 0.00 -0.33 -0.04 1.41 1.20 1j0yB1 ILE 46 H 0.07 0.58 0.30 -0.55 8.25 8.65 1j0yB1 ILE 46 HA 0.07 0.17 1.01 -0.75 4.18 4.68 1j0yB1 ILE 46 HB 0.08 0.00 0.01 -0.04 1.89 1.94 1j0yB1 ILE 46 HG12 0.19 0.02 -0.25 -0.04 1.49 1.41 1j0yB1 ILE 46 HG13 0.12 0.08 -0.05 -0.04 1.21 1.31 1j0yB1 ILE 46 HG23 0.22 0.03 0.06 -0.04 0.93 1.20 1j0yB1 ILE 46 HD13 0.38 -0.04 -0.07 -0.04 0.88 1.10 1j0yB1 THR 47 H 0.03 0.59 0.28 -0.55 8.28 8.63 1j0yB1 THR 47 HA -0.06 0.25 0.91 -0.75 4.39 4.73 1j0yB1 THR 47 HB -0.04 0.07 -0.05 -0.04 4.32 4.27 1j0yB1 THR 47 HG23 -0.02 0.01 -0.21 -0.04 1.22 0.96 1j0yB1 VAL 48 H -0.27 0.61 0.22 -0.55 8.24 8.25 1j0yB1 VAL 48 HA -0.29 0.07 0.87 -0.75 4.13 4.03 1j0yB1 VAL 48 HB -0.33 0.03 -0.25 -0.04 2.12 1.53 1j0yB1 VAL 48 HG13 -0.98 -0.00 -0.12 -0.04 0.97 -0.17 1j0yB1 VAL 48 HG23 -0.91 0.03 -0.13 -0.04 0.95 -0.10 1j0yB1 ASP 49 H -0.42 0.19 0.11 -0.55 8.40 7.73 1j0yB1 ASP 49 HA -0.65 0.12 0.64 -0.75 4.63 3.98 1j0yB1 ASP 49 HB2 -0.68 0.03 0.08 -0.04 2.71 2.09 1j0yB1 ASP 49 HB3 -2.03 -0.04 -0.09 -0.04 2.70 0.50 1j0yB1 PHE 50 H -0.53 0.55 0.28 -0.55 8.34 8.09 1j0yB1 PHE 50 HA -0.19 0.07 0.78 -0.75 4.62 4.53 1j0yB1 PHE 50 HB2 -0.25 0.10 0.22 -0.04 3.15 3.18 1j0yB1 PHE 50 HB3 0.03 -0.03 0.09 -0.04 3.06 3.12 1j0yB1 PHE 50 HD2 0.01 -0.01 0.02 -0.04 7.28 7.27 1j0yB1 PHE 50 HE2 -0.10 0.01 -0.07 -0.04 7.38 7.18 1j0yB1 PHE 50 HZ -0.49 0.04 -0.04 -0.04 7.32 6.79 1j0yB1 TRP 51 H -0.05 0.15 0.04 -0.55 7.97 7.56 1j0yB1 TRP 51 HA 0.03 0.30 0.80 -0.75 4.62 5.00 1j0yB1 TRP 51 HB2 0.05 -0.09 0.07 -0.04 3.23 3.21 1j0yB1 TRP 51 HB3 0.02 0.03 0.06 -0.04 3.23 3.30 1j0yB1 TRP 51 HD1 -0.01 -0.02 0.01 -0.04 7.22 7.16 1j0yB1 TRP 51 HE1 -0.06 0.19 -0.01 -0.04 10.20 10.28 1j0yB1 TRP 51 HE3 -0.21 0.23 0.07 -0.04 7.59 7.64 1j0yB1 TRP 51 HZ2 -0.04 0.04 -0.02 -0.04 7.44 7.38 1j0yB1 TRP 51 HZ3 -0.79 0.01 -0.32 -0.04 7.13 5.99 1j0yB1 TRP 51 HH2 0.04 0.01 -0.10 -0.04 7.19 7.10 1j0yB1 TRP 52 H 0.44 0.69 0.31 -0.55 7.97 8.86 1j0yB1 TRP 52 HA 0.13 0.05 0.33 -0.75 4.62 4.38 1j0yB1 TRP 52 HB2 0.03 0.06 0.07 -0.04 3.23 3.35 1j0yB1 TRP 52 HB3 0.06 0.00 0.08 -0.04 3.23 3.33 1j0yB1 TRP 52 HD1 0.17 -0.09 0.04 -0.04 7.22 7.29 1j0yB1 TRP 52 HE1 0.25 -0.00 -0.03 -0.04 10.20 10.38 1j0yB1 TRP 52 HE3 -0.02 0.07 0.02 -0.04 7.59 7.62 1j0yB1 TRP 52 HZ2 -0.01 -0.02 -0.04 -0.04 7.44 7.32 1j0yB1 TRP 52 HZ3 0.03 0.00 0.00 -0.04 7.13 7.13 1j0yB1 TRP 52 HH2 -0.07 -0.02 -0.05 -0.04 7.19 7.01 1j0yB1 GLY 53 H 0.30 0.15 -0.21 -0.55 8.43 8.12 1j0yB1 GLY 53 HA2 -0.07 0.05 0.24 -0.51 4.01 3.72 1j0yB1 GLY 53 HA3 0.03 0.24 0.16 -0.51 4.01 3.93 1j0yB1 ASP 54 H 0.27 0.21 -0.60 -0.55 8.40 7.73 1j0yB1 ASP 54 HA 0.10 0.15 0.77 -0.75 4.63 4.89 1j0yB1 ASP 54 HB2 0.26 0.12 0.12 -0.04 2.71 3.16 1j0yB1 ASP 54 HB3 0.14 -0.02 -0.00 -0.04 2.70 2.77 1j0yB1 MET 55 H 0.25 0.37 0.05 -0.55 8.47 8.60 1j0yB1 MET 55 HA 0.02 0.22 0.71 -0.75 4.52 4.71 1j0yB1 MET 55 HB2 0.32 0.03 0.01 -0.04 2.15 2.47 1j0yB1 MET 55 HB3 -0.02 -0.06 0.03 -0.04 2.03 1.94 1j0yB1 MET 55 HG2 0.16 0.02 0.05 -0.04 2.63 2.81 1j0yB1 MET 55 HG3 0.25 0.18 0.01 -0.04 2.56 2.96 1j0yB1 MET 55 HE3 0.16 0.05 -0.26 -0.04 2.10 2.00 1j0yB1 GLU 56 H 0.27 0.42 -0.24 -0.55 8.60 8.50 1j0yB1 GLU 56 HA 0.10 0.30 0.51 -0.75 4.29 4.45 1j0yB1 GLU 56 HB2 0.64 -0.01 -0.18 -0.04 2.09 2.50 1j0yB1 GLU 56 HB3 0.64 0.00 0.10 -0.04 1.99 2.69 1j0yB1 GLU 56 HG2 0.27 0.11 0.02 -0.04 2.34 2.69 1j0yB1 GLU 56 HG3 -0.33 -0.03 -0.08 -0.04 2.34 1.85 1j0yB1 LYS 57 H 0.11 0.23 -0.16 -0.55 8.42 8.04 1j0yB1 LYS 57 HA 0.15 0.05 0.50 -0.75 4.32 4.27 1j0yB1 LYS 57 HB2 0.07 0.28 0.12 -0.04 1.87 2.29 1j0yB1 LYS 57 HB3 0.06 -0.05 0.12 -0.04 1.79 1.88 1j0yB1 LYS 57 HG2 0.06 -0.05 -0.25 -0.04 1.46 1.18 1j0yB1 LYS 57 HG3 0.03 0.01 0.09 -0.04 1.46 1.55 1j0yB1 LYS 57 HD2 0.03 -0.03 0.02 -0.04 1.69 1.67 1j0yB1 LYS 57 HD3 0.02 -0.05 0.00 -0.04 1.68 1.61 1j0yB1 LYS 57 HE2 0.01 0.05 0.08 -0.04 2.99 3.08 1j0yB1 LYS 57 HE3 0.04 0.04 0.16 -0.04 2.99 3.19 1j0yB1 ASN 58 H 0.02 0.17 0.01 -0.55 8.53 8.18 1j0yB1 ASN 58 HA 0.03 0.08 0.46 -0.75 4.76 4.58 1j0yB1 ASN 58 HB2 -0.08 0.06 0.02 -0.04 2.88 2.84 1j0yB1 ASN 58 HB3 -0.05 -0.00 0.06 -0.04 2.79 2.76 1j0yB1 ASN 58 HD21 -0.00 -0.01 -0.00 -0.04 7.03 6.98 1j0yB1 ASN 58 HD22 -0.03 0.05 -0.02 -0.04 7.74 7.70 1j0yB1 GLY 59 H -0.25 0.27 -0.31 -0.55 8.43 7.59 1j0yB1 GLY 59 HA2 -1.49 -0.00 0.25 -0.51 4.01 2.25 1j0yB1 GLY 59 HA3 -0.58 0.14 0.40 -0.51 4.01 3.46 1j0yB1 ASP 60 H -1.19 0.15 0.06 -0.55 8.40 6.87 1j0yB1 ASP 60 HA -1.24 0.02 0.36 -0.75 4.63 3.01 1j0yB1 ASP 60 HB2 -0.76 0.00 0.08 -0.04 2.71 1.99 1j0yB1 ASP 60 HB3 -0.42 0.03 0.08 -0.04 2.70 2.36 1j0yB1 GLN 61 H -0.43 0.13 0.15 -0.55 8.47 7.78 1j0yB1 GLN 61 HA -0.91 0.01 0.30 -0.75 4.36 3.01 1j0yB1 GLN 61 HB2 -0.19 0.20 -0.09 -0.04 2.15 2.03 1j0yB1 GLN 61 HB3 -0.10 0.00 0.18 -0.04 2.02 2.06 1j0yB1 GLN 61 HG2 -0.10 -0.10 -0.25 -0.04 2.40 1.90 1j0yB1 GLN 61 HG3 -0.02 0.03 -0.07 -0.04 2.39 2.29 1j0yB1 GLN 61 HE21 0.34 0.04 0.02 -0.04 6.97 7.34 1j0yB1 GLN 61 HE22 0.16 0.01 0.02 -0.04 7.69 7.84 1j0yB1 GLN 62 H -0.52 0.38 -0.50 -0.55 8.47 7.29 1j0yB1 GLN 62 HA -0.19 0.17 0.75 -0.75 4.36 4.34 1j0yB1 GLN 62 HB2 -0.24 -0.11 0.01 -0.04 2.15 1.77 1j0yB1 GLN 62 HB3 -0.14 -0.01 -0.01 -0.04 2.02 1.82 1j0yB1 GLN 62 HG2 -0.19 0.06 -0.22 -0.04 2.40 2.01 1j0yB1 GLN 62 HG3 -0.34 0.11 -0.54 -0.04 2.39 1.58 1j0yB1 GLN 62 HE21 -0.16 0.02 -0.13 -0.04 6.97 6.66 1j0yB1 GLN 62 HE22 -0.26 0.01 -0.18 -0.04 7.69 7.21 1j0yB1 PHE 63 H -0.14 0.23 -0.16 -0.55 8.34 7.71 1j0yB1 PHE 63 HA -0.12 0.38 0.79 -0.75 4.62 4.91 1j0yB1 PHE 63 HB2 0.03 -0.02 0.01 -0.04 3.15 3.12 1j0yB1 PHE 63 HB3 -0.82 -0.05 0.02 -0.04 3.06 2.17 1j0yB1 PHE 63 HD2 0.09 0.12 -0.03 -0.04 7.28 7.42 1j0yB1 PHE 63 HE2 0.21 0.01 -0.03 -0.04 7.38 7.52 1j0yB1 PHE 63 HZ 0.18 -0.01 -0.15 -0.04 7.32 7.30 1j0yB1 ASP 64 H -0.30 0.53 0.22 -0.55 8.40 8.30 1j0yB1 ASP 64 HA -0.02 0.08 0.72 -0.75 4.63 4.66 1j0yB1 ASP 64 HB2 0.00 0.11 -0.05 -0.04 2.71 2.73 1j0yB1 ASP 64 HB3 -0.00 0.15 0.22 -0.04 2.70 3.02 1j0yB1 PHE 65 H 0.09 0.26 0.09 -0.55 8.34 8.22 1j0yB1 PHE 65 HA 0.03 0.17 0.88 -0.75 4.62 4.96 1j0yB1 PHE 65 HB2 -0.03 0.08 0.06 -0.04 3.15 3.22 1j0yB1 PHE 65 HB3 -0.13 0.02 0.15 -0.04 3.06 3.05 1j0yB1 PHE 65 HD2 0.05 -0.01 -0.03 -0.04 7.28 7.26 1j0yB1 PHE 65 HE2 -0.07 0.02 -0.08 -0.04 7.38 7.20 1j0yB1 PHE 65 HZ -0.71 0.03 -0.11 -0.04 7.32 6.48 1j0yB1 SER 66 H 0.10 0.13 -0.11 -0.55 8.46 8.04 1j0yB1 SER 66 HA 0.06 0.14 0.36 -0.75 4.49 4.30 1j0yB1 SER 66 HB2 0.08 0.05 0.04 -0.04 3.95 4.08 1j0yB1 SER 66 HB3 0.08 0.06 0.11 -0.04 3.93 4.14 1j0yB1 TYR 67 H 0.22 0.14 -0.22 -0.55 8.29 7.87 1j0yB1 TYR 67 HA 0.14 0.10 0.49 -0.75 4.56 4.53 1j0yB1 TYR 67 HB2 0.15 0.03 0.06 -0.04 3.06 3.26 1j0yB1 TYR 67 HB3 0.12 0.03 0.04 -0.04 2.98 3.13 1j0yB1 TYR 67 HD2 0.31 0.02 -0.06 -0.04 7.15 7.38 1j0yB1 TYR 67 HE2 0.29 0.04 0.00 -0.04 6.85 7.14 1j0yB1 ALA 68 H -0.01 0.12 -0.19 -0.55 8.40 7.77 1j0yB1 ALA 68 HA -0.59 0.06 0.42 -0.75 4.34 3.47 1j0yB1 ALA 68 HB3 -0.60 0.05 0.07 -0.04 1.41 0.89 1j0yB1 GLN 69 H -0.15 0.47 -0.16 -0.55 8.47 8.09 1j0yB1 GLN 69 HA -0.56 0.12 0.43 -0.75 4.36 3.60 1j0yB1 GLN 69 HB2 -0.07 0.00 0.11 -0.04 2.15 2.16 1j0yB1 GLN 69 HB3 -0.05 0.01 0.00 -0.04 2.02 1.93 1j0yB1 GLN 69 HG2 0.06 0.16 0.01 -0.04 2.40 2.60 1j0yB1 GLN 69 HG3 -0.08 -0.03 -0.01 -0.04 2.39 2.23 1j0yB1 GLN 69 HE21 0.04 -0.09 0.05 -0.04 6.97 6.94 1j0yB1 GLN 69 HE22 0.05 0.66 0.19 -0.04 7.69 8.55 1j0yB1 ARG 70 H -0.21 0.43 -0.14 -0.55 8.46 7.99 1j0yB1 ARG 70 HA -0.39 0.05 0.44 -0.75 4.34 3.69 1j0yB1 ARG 70 HB2 -0.19 0.07 0.16 -0.04 1.90 1.90 1j0yB1 ARG 70 HB3 -0.27 0.03 0.18 -0.04 1.80 1.69 1j0yB1 ARG 70 HG2 -0.34 -0.05 0.01 -0.04 1.67 1.25 1j0yB1 ARG 70 HG3 -1.72 -0.04 -0.12 -0.04 1.67 -0.25 1j0yB1 ARG 70 HD2 -0.50 0.02 0.12 -0.04 3.22 2.82 1j0yB1 ARG 70 HD3 -0.28 0.02 0.04 -0.04 3.22 2.95 1j0yB1 PHE 71 H -0.27 0.55 -0.20 -0.55 8.34 7.87 1j0yB1 PHE 71 HA -0.29 -0.05 0.42 -0.75 4.62 3.95 1j0yB1 PHE 71 HB2 -0.34 -0.02 0.12 -0.04 3.15 2.87 1j0yB1 PHE 71 HB3 -0.05 0.17 0.16 -0.04 3.06 3.30 1j0yB1 PHE 71 HD2 0.13 -0.00 -0.19 -0.04 7.28 7.18 1j0yB1 PHE 71 HE2 0.03 0.02 -0.09 -0.04 7.38 7.30 1j0yB1 PHE 71 HZ 0.19 0.02 -0.13 -0.04 7.32 7.36 1j0yB1 ALA 72 H -0.14 0.53 -0.17 -0.55 8.40 8.08 1j0yB1 ALA 72 HA 0.06 0.02 0.33 -0.75 4.34 3.99 1j0yB1 ALA 72 HB3 -0.47 0.04 0.10 -0.04 1.41 1.04 1j0yB1 GLN 73 H -0.39 0.38 -0.36 -0.55 8.47 7.55 1j0yB1 GLN 73 HA -0.03 0.07 0.41 -0.75 4.36 4.06 1j0yB1 GLN 73 HB2 -0.15 0.08 0.12 -0.04 2.15 2.15 1j0yB1 GLN 73 HB3 -0.30 0.07 0.14 -0.04 2.02 1.89 1j0yB1 GLN 73 HG2 -0.08 -0.05 -0.01 -0.04 2.40 2.22 1j0yB1 GLN 73 HG3 -0.10 -0.04 -0.15 -0.04 2.39 2.06 1j0yB1 GLN 73 HE21 0.03 0.05 0.02 -0.04 6.97 7.03 1j0yB1 GLN 73 HE22 -0.01 -0.06 0.06 -0.04 7.69 7.63 1j0yB1 SER 74 H -0.31 0.41 -0.15 -0.55 8.46 7.86 1j0yB1 SER 74 HA -0.07 0.01 0.48 -0.75 4.49 4.16 1j0yB1 SER 74 HB2 0.02 0.14 0.16 -0.04 3.95 4.23 1j0yB1 SER 74 HB3 0.25 -0.04 -0.00 -0.04 3.93 4.09 1j0yB1 VAL 75 H -0.12 0.44 -0.19 -0.55 8.24 7.82 1j0yB1 VAL 75 HA -0.15 -0.02 0.32 -0.75 4.13 3.52 1j0yB1 VAL 75 HB 0.00 0.14 0.07 -0.04 2.12 2.30 1j0yB1 VAL 75 HG13 -0.00 0.06 -0.38 -0.04 0.97 0.61 1j0yB1 VAL 75 HG23 -0.05 0.03 -0.07 -0.04 0.95 0.82 1j0yB1 LYS 76 H -0.03 0.44 -0.23 -0.55 8.42 8.04 1j0yB1 LYS 76 HA -0.00 0.14 0.40 -0.75 4.32 4.11 1j0yB1 LYS 76 HB2 0.07 0.05 0.14 -0.04 1.87 2.09 1j0yB1 LYS 76 HB3 0.02 0.12 0.21 -0.04 1.79 2.10 1j0yB1 LYS 76 HG2 0.02 -0.04 -0.13 -0.04 1.46 1.27 1j0yB1 LYS 76 HG3 0.03 0.02 0.03 -0.04 1.46 1.50 1j0yB1 LYS 76 HD2 0.10 0.02 0.02 -0.04 1.69 1.79 1j0yB1 LYS 76 HD3 0.10 -0.04 0.02 -0.04 1.68 1.71 1j0yB1 LYS 76 HE2 0.01 0.01 -0.00 -0.04 2.99 2.97 1j0yB1 LYS 76 HE3 -0.01 -0.00 0.01 -0.04 2.99 2.95 1j0yB1 ASN 77 H -0.04 0.43 -0.11 -0.55 8.53 8.27 1j0yB1 ASN 77 HA -0.01 0.01 0.40 -0.75 4.76 4.40 1j0yB1 ASN 77 HB2 -0.03 0.08 0.19 -0.04 2.88 3.08 1j0yB1 ASN 77 HB3 -0.01 -0.09 0.04 -0.04 2.79 2.70 1j0yB1 ASN 77 HD21 -0.04 -0.07 -0.06 -0.04 7.03 6.83 1j0yB1 ASN 77 HD22 -0.02 -0.09 -0.02 -0.04 7.74 7.57 1j0yB1 ALA 78 H -0.06 0.42 -0.30 -0.55 8.40 7.91 1j0yB1 ALA 78 HA -0.03 0.02 0.53 -0.75 4.34 4.11 1j0yB1 ALA 78 HB3 -0.11 -0.04 0.11 -0.04 1.41 1.33 1j0yB1 GLY 79 H -0.03 0.41 -0.46 -0.55 8.43 7.80 1j0yB1 GLY 79 HA2 -0.02 0.03 0.32 -0.51 4.01 3.83 1j0yB1 GLY 79 HA3 -0.02 -0.01 0.48 -0.51 4.01 3.95 1j0yB1 MET 80 H -0.06 0.38 -0.06 -0.55 8.47 8.19 1j0yB1 MET 80 HA -0.10 0.25 0.84 -0.75 4.52 4.75 1j0yB1 MET 80 HB2 -0.09 -0.06 0.01 -0.04 2.15 1.97 1j0yB1 MET 80 HB3 -0.07 0.03 0.07 -0.04 2.03 2.02 1j0yB1 MET 80 HG2 -0.06 0.11 -0.32 -0.04 2.63 2.32 1j0yB1 MET 80 HG3 -0.08 -0.18 -0.12 -0.04 2.56 2.13 1j0yB1 MET 80 HE3 -0.01 -0.06 -0.23 -0.04 2.10 1.76 1j0yB1 LYS 81 H -0.17 0.28 0.31 -0.55 8.42 8.29 1j0yB1 LYS 81 HA -0.06 0.28 0.93 -0.75 4.32 4.72 1j0yB1 LYS 81 HB2 -0.42 0.10 0.10 -0.04 1.87 1.61 1j0yB1 LYS 81 HB3 -0.11 -0.07 0.06 -0.04 1.79 1.64 1j0yB1 LYS 81 HG2 -0.29 -0.01 -0.17 -0.04 1.46 0.95 1j0yB1 LYS 81 HG3 -0.60 -0.02 -0.04 -0.04 1.46 0.76 1j0yB1 LYS 81 HD2 0.00 -0.05 -0.26 -0.04 1.69 1.35 1j0yB1 LYS 81 HD3 -0.04 0.03 0.01 -0.04 1.68 1.64 1j0yB1 LYS 81 HE2 0.11 -0.06 -0.05 -0.04 2.99 2.94 1j0yB1 LYS 81 HE3 0.05 0.16 -0.02 -0.04 2.99 3.13 1j0yB1 MET 82 H -0.00 0.73 0.49 -0.55 8.47 9.14 1j0yB1 MET 82 HA 0.05 0.12 0.99 -0.75 4.52 4.92 1j0yB1 MET 82 HB2 0.17 -0.06 0.07 -0.04 2.15 2.29 1j0yB1 MET 82 HB3 0.17 -0.01 -0.17 -0.04 2.03 1.98 1j0yB1 MET 82 HG2 0.07 0.21 -0.08 -0.04 2.63 2.79 1j0yB1 MET 82 HG3 0.06 -0.03 -0.19 -0.04 2.56 2.37 1j0yB1 MET 82 HE3 0.27 -0.02 -0.11 -0.04 2.10 2.20 1j0yB1 ILE 83 H -0.03 0.55 0.24 -0.55 8.25 8.46 1j0yB1 ILE 83 HA -0.15 0.39 0.96 -0.75 4.18 4.64 1j0yB1 ILE 83 HB -0.13 -0.15 0.02 -0.04 1.89 1.59 1j0yB1 ILE 83 HG12 -0.23 0.06 -0.12 -0.04 1.49 1.16 1j0yB1 ILE 83 HG13 -0.17 -0.08 -0.55 -0.04 1.21 0.37 1j0yB1 ILE 83 HG23 -0.27 0.02 -0.35 -0.04 0.93 0.29 1j0yB1 ILE 83 HD13 -0.70 -0.00 -0.27 -0.04 0.88 -0.13 1j0yB1 PRO 84 HA -0.30 0.14 0.72 -0.51 4.44 4.48 1j0yB1 PRO 84 HB2 0.05 -0.02 -0.05 -0.04 2.28 2.22 1j0yB1 PRO 84 HB3 0.37 -0.01 0.05 -0.04 2.02 2.39 1j0yB1 PRO 84 HG2 -0.22 -0.01 0.14 -0.04 2.03 1.90 1j0yB1 PRO 84 HG3 0.02 0.06 0.01 -0.04 2.03 2.09 1j0yB1 PRO 84 HD2 -0.16 0.47 0.30 -0.04 3.68 4.24 1j0yB1 PRO 84 HD3 -0.02 0.08 -0.09 -0.04 3.65 3.58 1j0yB1 ILE 85 H -0.39 0.60 0.33 -0.55 8.25 8.24 1j0yB1 ILE 85 HA -0.13 0.24 0.78 -0.75 4.18 4.31 1j0yB1 ILE 85 HB -0.35 -0.14 0.01 -0.04 1.89 1.37 1j0yB1 ILE 85 HG12 -0.05 0.05 -0.21 -0.04 1.49 1.24 1j0yB1 ILE 85 HG13 -0.13 0.08 -0.33 -0.04 1.21 0.78 1j0yB1 ILE 85 HG23 -0.15 -0.01 -0.36 -0.04 0.93 0.37 1j0yB1 ILE 85 HD13 -0.22 -0.02 -0.25 -0.04 0.88 0.35 1j0yB1 ILE 86 H -0.26 0.70 0.13 -0.55 8.25 8.26 1j0yB1 ILE 86 HA -0.31 0.11 0.75 -0.75 4.18 3.98 1j0yB1 ILE 86 HB -0.27 0.01 0.27 -0.04 1.89 1.85 1j0yB1 ILE 86 HG12 -0.45 0.02 -0.01 -0.04 1.49 1.01 1j0yB1 ILE 86 HG13 -0.90 -0.02 -0.03 -0.04 1.21 0.21 1j0yB1 ILE 86 HG23 -0.13 -0.02 -0.07 -0.04 0.93 0.67 1j0yB1 ILE 86 HD13 -0.60 0.00 -0.14 -0.04 0.88 0.09 1j0yB1 SER 87 H -0.30 0.53 0.14 -0.55 8.46 8.28 1j0yB1 SER 87 HA -0.07 0.06 0.68 -0.75 4.49 4.41 1j0yB1 SER 87 HB2 -0.90 -0.02 -0.05 -0.04 3.95 2.93 1j0yB1 SER 87 HB3 -0.83 -0.01 -0.02 -0.04 3.93 3.03 1j0yB1 THR 88 H 0.02 0.34 0.23 -0.55 8.28 8.32 1j0yB1 THR 88 HA 0.29 0.01 0.58 -0.75 4.39 4.52 1j0yB1 THR 88 HB -0.20 -0.04 0.21 -0.04 4.32 4.25 1j0yB1 THR 88 HG23 -1.09 0.01 -0.03 -0.04 1.22 0.07 1j0yB1 HIS 89 H 0.03 0.09 -0.54 -0.55 8.41 7.45 1j0yB1 HIS 89 HA 0.27 0.25 0.92 -0.75 4.63 5.32 1j0yB1 HIS 89 HB2 0.19 -0.05 0.15 -0.04 3.26 3.52 1j0yB1 HIS 89 HB3 0.19 0.13 -0.09 -0.04 3.20 3.39 1j0yB1 HIS 89 HD2 0.27 0.26 -0.13 -0.04 6.97 7.32 1j0yB1 HIS 89 HE1 -0.04 0.06 -0.18 -0.04 7.75 7.55 1j0yB1 GLN 90 H 0.27 0.47 0.29 -0.55 8.47 8.96 1j0yB1 GLN 90 HA -0.00 0.29 0.75 -0.75 4.36 4.64 1j0yB1 GLN 90 HB2 0.09 -0.08 0.19 -0.04 2.15 2.30 1j0yB1 GLN 90 HB3 0.10 -0.07 0.21 -0.04 2.02 2.22 1j0yB1 GLN 90 HG2 -0.06 0.11 -0.52 -0.04 2.40 1.90 1j0yB1 GLN 90 HG3 -0.08 -0.02 -0.24 -0.04 2.39 2.01 1j0yB1 GLN 90 HE21 -0.03 -0.10 -0.07 -0.04 6.97 6.73 1j0yB1 GLN 90 HE22 -0.04 0.28 -0.16 -0.04 7.69 7.73 1j0yB1 CYS 91 H -0.46 0.57 0.25 -0.55 8.50 8.32 1j0yB1 CYS 91 HA -0.35 0.09 0.71 -0.75 4.58 4.27 1j0yB1 CYS 91 HB2 -2.91 0.07 0.08 -0.04 2.97 0.17 1j0yB1 CYS 91 HB3 -0.97 -0.17 0.05 -0.04 2.97 1.84 1j0yB1 GLY 92 H -0.09 0.08 -0.04 -0.55 8.43 7.84 1j0yB1 GLY 92 HA2 -0.07 -0.07 0.39 -0.51 4.01 3.74 1j0yB1 GLY 92 HA3 -0.12 0.36 0.84 -0.51 4.01 4.59 1j0yB1 GLY 93 H -0.03 0.19 0.17 -0.55 8.43 8.22 1j0yB1 GLY 93 HA2 -0.02 0.02 0.32 -0.51 4.01 3.82 1j0yB1 GLY 93 HA3 -0.01 0.21 0.78 -0.51 4.01 4.48 1j0yB1 ASN 94 H 0.01 0.03 -0.07 -0.55 8.53 7.95 1j0yB1 ASN 94 HA 0.03 0.20 0.88 -0.75 4.76 5.12 1j0yB1 ASN 94 HB2 0.05 -0.04 -0.10 -0.04 2.88 2.76 1j0yB1 ASN 94 HB3 0.06 0.11 -0.05 -0.04 2.79 2.87 1j0yB1 ASN 94 HD21 0.05 -0.05 -0.09 -0.04 7.03 6.90 1j0yB1 ASN 94 HD22 0.09 0.03 -0.12 -0.04 7.74 7.69 1j0yB1 VAL 95 H 0.05 0.15 0.08 -0.55 8.24 7.98 1j0yB1 VAL 95 HA 0.01 -0.02 0.39 -0.75 4.13 3.75 1j0yB1 VAL 95 HB 0.02 0.05 0.13 -0.04 2.12 2.29 1j0yB1 VAL 95 HG13 -0.03 0.01 -0.05 -0.04 0.97 0.86 1j0yB1 VAL 95 HG23 0.01 0.00 0.07 -0.04 0.95 0.99 1j0yB1 GLY 96 H 0.01 0.06 0.23 -0.55 8.43 8.18 1j0yB1 GLY 96 HA2 0.01 -0.02 0.32 -0.51 4.01 3.82 1j0yB1 GLY 96 HA3 0.02 0.14 0.58 -0.51 4.01 4.25 1j0yB1 ASP 97 H 0.00 0.15 0.13 -0.55 8.40 8.13 1j0yB1 ASP 97 HA 0.01 0.17 0.84 -0.75 4.63 4.89 1j0yB1 ASP 97 HB2 -0.01 0.11 0.22 -0.04 2.71 2.99 1j0yB1 ASP 97 HB3 -0.04 -0.06 0.11 -0.04 2.70 2.67 1j0yB1 ASP 98 H -0.01 0.20 -0.06 -0.55 8.40 7.99 1j0yB1 ASP 98 HA -0.03 0.21 0.84 -0.75 4.63 4.89 1j0yB1 ASP 98 HB2 -0.00 -0.02 -0.02 -0.04 2.71 2.63 1j0yB1 ASP 98 HB3 -0.00 -0.04 0.18 -0.04 2.70 2.79 1j0yB1 CYS 99 H -0.08 0.36 -0.15 -0.55 8.50 8.08 1j0yB1 CYS 99 HA -0.11 0.13 0.46 -0.75 4.58 4.30 1j0yB1 CYS 99 HB2 -0.32 0.03 -0.09 -0.04 2.97 2.55 1j0yB1 CYS 99 HB3 -0.13 0.13 -0.30 -0.04 2.97 2.63 1j0yB1 ASN 100 H -0.19 0.20 -0.07 -0.55 8.53 7.93 1j0yB1 ASN 100 HA -0.16 0.24 0.74 -0.75 4.76 4.82 1j0yB1 ASN 100 HB2 -0.09 0.01 -0.09 -0.04 2.88 2.67 1j0yB1 ASN 100 HB3 -0.10 -0.01 0.16 -0.04 2.79 2.80 1j0yB1 ASN 100 HD21 -0.06 0.00 0.00 -0.04 7.03 6.94 1j0yB1 ASN 100 HD22 -0.06 -0.02 0.02 -0.04 7.74 7.65 1j0yB1 VAL 101 H -0.33 0.60 0.07 -0.55 8.24 8.03 1j0yB1 VAL 101 HA -0.18 0.27 0.92 -0.75 4.13 4.39 1j0yB1 VAL 101 HB -0.87 -0.10 0.22 -0.04 2.12 1.33 1j0yB1 VAL 101 HG13 -0.07 0.02 -0.08 -0.04 0.97 0.79 1j0yB1 VAL 101 HG23 -0.46 -0.01 -0.15 -0.04 0.95 0.29 1j0yB1 PRO 102 HA -0.03 0.01 0.57 -0.51 4.44 4.49 1j0yB1 PRO 102 HB2 -0.01 0.17 -0.06 -0.04 2.28 2.34 1j0yB1 PRO 102 HB3 0.00 0.01 0.08 -0.04 2.02 2.07 1j0yB1 PRO 102 HG2 -0.04 0.05 0.00 -0.04 2.03 2.00 1j0yB1 PRO 102 HG3 -0.06 0.01 -0.04 -0.04 2.03 1.90 1j0yB1 PRO 102 HD2 -0.07 0.13 0.11 -0.04 3.68 3.81 1j0yB1 PRO 102 HD3 -0.10 0.20 -0.20 -0.04 3.65 3.51 1j0yB1 ILE 103 H 0.04 0.10 0.03 -0.55 8.25 7.86 1j0yB1 ILE 103 HA -0.17 0.00 0.30 -0.75 4.18 3.56 1j0yB1 ILE 103 HB -0.73 0.04 -0.03 -0.04 1.89 1.12 1j0yB1 ILE 103 HG12 0.13 -0.02 -0.06 -0.04 1.49 1.50 1j0yB1 ILE 103 HG13 -0.40 0.07 -0.36 -0.04 1.21 0.49 1j0yB1 ILE 103 HG23 0.22 0.00 -0.25 -0.04 0.93 0.86 1j0yB1 ILE 103 HD13 -0.31 -0.01 -0.18 -0.04 0.88 0.35 1j0yB1 PRO 104 HA -0.34 0.07 0.43 -0.51 4.44 4.09 1j0yB1 PRO 104 HB2 -1.82 -0.14 0.04 -0.04 2.28 0.32 1j0yB1 PRO 104 HB3 -0.52 0.19 0.10 -0.04 2.02 1.75 1j0yB1 PRO 104 HG2 -0.94 0.06 -0.08 -0.04 2.03 1.03 1j0yB1 PRO 104 HG3 -0.33 0.09 -0.19 -0.04 2.03 1.55 1j0yB1 PRO 104 HD2 -2.19 0.07 0.03 -0.04 3.68 1.54 1j0yB1 PRO 104 HD3 -0.80 -0.01 -0.16 -0.04 3.65 2.63 1j0yB1 SER 105 H -0.15 0.22 0.19 -0.55 8.46 8.17 1j0yB1 SER 105 HA 0.13 0.10 0.38 -0.75 4.49 4.34 1j0yB1 SER 105 HB2 0.05 0.02 0.10 -0.04 3.95 4.09 1j0yB1 SER 105 HB3 0.09 -0.00 -0.01 -0.04 3.93 3.97 1j0yB1 TRP 106 H -0.17 0.17 -0.21 -0.55 7.97 7.22 1j0yB1 TRP 106 HA -0.01 0.09 0.44 -0.75 4.62 4.39 1j0yB1 TRP 106 HB2 -0.05 -0.00 0.03 -0.04 3.23 3.16 1j0yB1 TRP 106 HB3 -0.05 0.08 0.04 -0.04 3.23 3.26 1j0yB1 TRP 106 HD1 -0.10 0.18 -0.13 -0.04 7.22 7.13 1j0yB1 TRP 106 HE1 -0.15 0.52 -0.03 -0.04 10.20 10.50 1j0yB1 TRP 106 HE3 -0.07 0.01 -0.42 -0.04 7.59 7.06 1j0yB1 TRP 106 HZ2 0.01 0.11 -0.08 -0.04 7.44 7.45 1j0yB1 TRP 106 HZ3 0.01 0.02 -0.08 -0.04 7.13 7.03 1j0yB1 TRP 106 HH2 0.17 -0.00 -0.05 -0.04 7.19 7.27 1j0yB1 VAL 107 H -1.25 0.38 -0.45 -0.55 8.24 6.36 1j0yB1 VAL 107 HA -0.48 0.03 0.29 -0.75 4.13 3.22 1j0yB1 VAL 107 HB -1.36 0.09 -0.04 -0.04 2.12 0.77 1j0yB1 VAL 107 HG13 -0.49 -0.02 -0.06 -0.04 0.97 0.35 1j0yB1 VAL 107 HG23 -1.99 0.01 -0.03 -0.04 0.95 -1.11 1j0yB1 TRP 108 H -0.41 0.35 -0.29 -0.55 7.97 7.07 1j0yB1 TRP 108 HA -0.04 0.00 0.38 -0.75 4.62 4.20 1j0yB1 TRP 108 HB2 -0.06 0.13 0.08 -0.04 3.23 3.34 1j0yB1 TRP 108 HB3 -0.02 -0.03 0.07 -0.04 3.23 3.21 1j0yB1 TRP 108 HD1 -0.15 0.12 0.11 -0.04 7.22 7.26 1j0yB1 TRP 108 HE1 -0.17 0.04 -0.12 -0.04 10.20 9.91 1j0yB1 TRP 108 HE3 0.06 -0.04 -0.04 -0.04 7.59 7.54 1j0yB1 TRP 108 HZ2 -0.04 0.13 -0.06 -0.04 7.44 7.43 1j0yB1 TRP 108 HZ3 0.13 -0.01 -0.35 -0.04 7.13 6.86 1j0yB1 TRP 108 HH2 0.09 0.03 -0.12 -0.04 7.19 7.15 1j0yB1 ASN 109 H 0.12 0.31 -0.36 -0.55 8.53 8.05 1j0yB1 ASN 109 HA 0.13 0.12 0.39 -0.75 4.76 4.64 1j0yB1 ASN 109 HB2 0.14 0.08 0.03 -0.04 2.88 3.08 1j0yB1 ASN 109 HB3 0.10 -0.03 0.12 -0.04 2.79 2.93 1j0yB1 ASN 109 HD21 0.14 -0.04 -0.01 -0.04 7.03 7.08 1j0yB1 ASN 109 HD22 0.16 0.01 0.06 -0.04 7.74 7.92 1j0yB1 GLN 110 H 0.06 0.37 -0.49 -0.55 8.47 7.86 1j0yB1 GLN 110 HA 0.07 0.07 0.48 -0.75 4.36 4.23 1j0yB1 GLN 110 HB2 0.02 -0.03 -0.02 -0.04 2.15 2.07 1j0yB1 GLN 110 HB3 0.06 -0.07 0.11 -0.04 2.02 2.08 1j0yB1 GLN 110 HG2 0.04 0.35 0.15 -0.04 2.40 2.90 1j0yB1 GLN 110 HG3 0.09 -0.10 0.06 -0.04 2.39 2.40 1j0yB1 GLN 110 HE21 0.19 -0.03 -0.03 -0.04 6.97 7.07 1j0yB1 GLN 110 HE22 0.19 -0.03 0.00 -0.04 7.69 7.82 1j0yB1 LYS 111 H 0.08 0.43 -0.22 -0.55 8.42 8.15 1j0yB1 LYS 111 HA 0.01 0.14 0.87 -0.75 4.32 4.59 1j0yB1 LYS 111 HB2 0.04 0.08 0.06 -0.04 1.87 2.01 1j0yB1 LYS 111 HB3 -0.03 -0.23 0.03 -0.04 1.79 1.51 1j0yB1 LYS 111 HG2 -0.02 0.05 -0.36 -0.04 1.46 1.09 1j0yB1 LYS 111 HG3 -0.09 -0.10 -0.06 -0.04 1.46 1.16 1j0yB1 LYS 111 HD2 -0.10 -0.14 0.06 -0.04 1.69 1.47 1j0yB1 LYS 111 HD3 -0.03 0.22 0.16 -0.04 1.68 1.99 1j0yB1 LYS 111 HE2 -0.04 0.05 -0.05 -0.04 2.99 2.91 1j0yB1 LYS 111 HE3 -0.13 -0.09 -0.02 -0.04 2.99 2.70 1j0yB1 SER 112 H 0.01 0.07 0.16 -0.55 8.46 8.15 1j0yB1 SER 112 HA 0.05 0.27 0.86 -0.75 4.49 4.92 1j0yB1 SER 112 HB2 0.03 0.01 0.12 -0.04 3.95 4.07 1j0yB1 SER 112 HB3 0.03 0.07 0.02 -0.04 3.93 4.01 1j0yB1 ASP 113 H -0.01 -0.08 0.03 -0.55 8.40 7.79 1j0yB1 ASP 113 HA 0.02 0.27 0.80 -0.75 4.63 4.98 1j0yB1 ASP 113 HB2 -0.01 -0.14 0.18 -0.04 2.71 2.71 1j0yB1 ASP 113 HB3 0.00 0.11 0.06 -0.04 2.70 2.83 1j0yB1 ASP 114 H -0.04 0.11 0.10 -0.55 8.40 8.03 1j0yB1 ASP 114 HA -0.31 0.31 0.85 -0.75 4.63 4.73 1j0yB1 ASP 114 HB2 -0.59 0.06 0.18 -0.04 2.71 2.31 1j0yB1 ASP 114 HB3 -0.03 0.13 0.04 -0.04 2.70 2.80 1j0yB1 SER 115 H -0.27 0.13 -0.36 -0.55 8.46 7.42 1j0yB1 SER 115 HA -0.26 0.08 0.44 -0.75 4.49 3.99 1j0yB1 SER 115 HB2 -1.07 0.05 0.01 -0.04 3.95 2.90 1j0yB1 SER 115 HB3 -1.42 -0.03 0.04 -0.04 3.93 2.48 1j0yB1 LEU 116 H -0.10 0.10 -0.18 -0.55 8.37 7.64 1j0yB1 LEU 116 HA -0.05 0.14 0.56 -0.75 4.35 4.25 1j0yB1 LEU 116 HB2 0.47 0.06 0.03 -0.04 1.64 2.16 1j0yB1 LEU 116 HB3 0.16 0.01 0.08 -0.04 1.64 1.85 1j0yB1 LEU 116 HG -0.01 -0.12 -0.02 -0.04 1.64 1.46 1j0yB1 LEU 116 HD13 0.02 0.04 -0.02 -0.04 0.93 0.93 1j0yB1 LEU 116 HD23 -0.09 0.00 -0.06 -0.04 0.89 0.70 1j0yB1 TYR 117 H -0.39 0.11 -0.23 -0.55 8.29 7.23 1j0yB1 TYR 117 HA -0.00 0.27 1.14 -0.75 4.56 5.21 1j0yB1 TYR 117 HB2 0.05 0.20 0.28 -0.04 3.06 3.55 1j0yB1 TYR 117 HB3 0.02 -0.01 -0.03 -0.04 2.98 2.91 1j0yB1 TYR 117 HD2 0.06 0.08 -0.14 -0.04 7.15 7.11 1j0yB1 TYR 117 HE2 0.02 0.05 -0.05 -0.04 6.85 6.83 1j0yB1 PHE 118 H 0.52 0.58 0.40 -0.55 8.34 9.29 1j0yB1 PHE 118 HA 0.19 0.18 1.02 -0.75 4.62 5.26 1j0yB1 PHE 118 HB2 0.17 -0.10 0.12 -0.04 3.15 3.30 1j0yB1 PHE 118 HB3 0.20 0.04 0.07 -0.04 3.06 3.34 1j0yB1 PHE 118 HD2 0.24 0.12 0.10 -0.04 7.28 7.70 1j0yB1 PHE 118 HE2 0.08 0.07 -0.07 -0.04 7.38 7.42 1j0yB1 PHE 118 HZ -0.06 0.13 -0.05 -0.04 7.32 7.29 1j0yB1 LYS 119 H 0.36 0.22 0.09 -0.55 8.42 8.53 1j0yB1 LYS 119 HA 0.23 0.38 0.63 -0.75 4.32 4.81 1j0yB1 LYS 119 HB2 0.27 0.01 -0.25 -0.04 1.87 1.85 1j0yB1 LYS 119 HB3 0.25 -0.21 -0.23 -0.04 1.79 1.56 1j0yB1 LYS 119 HG2 0.20 0.08 -0.25 -0.04 1.46 1.45 1j0yB1 LYS 119 HG3 0.15 -0.05 -0.26 -0.04 1.46 1.27 1j0yB1 LYS 119 HD2 0.11 0.05 -0.03 -0.04 1.69 1.78 1j0yB1 LYS 119 HD3 0.17 0.03 -0.12 -0.04 1.68 1.72 1j0yB1 LYS 119 HE2 0.16 -0.01 -0.03 -0.04 2.99 3.08 1j0yB1 LYS 119 HE3 0.19 -0.14 -0.09 -0.04 2.99 2.91 1j0yB1 SER 120 H 0.14 0.52 0.07 -0.55 8.46 8.64 1j0yB1 SER 120 HA 0.23 0.31 0.71 -0.75 4.49 4.98 1j0yB1 SER 120 HB2 0.05 0.01 0.13 -0.04 3.95 4.10 1j0yB1 SER 120 HB3 0.08 0.11 0.05 -0.04 3.93 4.13 1j0yB1 GLU 121 H -0.07 0.25 0.18 -0.55 8.60 8.41 1j0yB1 GLU 121 HA -1.41 0.13 0.38 -0.75 4.29 2.63 1j0yB1 GLU 121 HB2 -0.12 -0.04 0.15 -0.04 2.09 2.04 1j0yB1 GLU 121 HB3 -0.24 0.06 0.06 -0.04 1.99 1.83 1j0yB1 GLU 121 HG2 -0.12 0.12 0.08 -0.04 2.34 2.38 1j0yB1 GLU 121 HG3 0.06 0.09 0.21 -0.04 2.34 2.66 1j0yB1 THR 122 H -0.09 0.00 -0.23 -0.55 8.28 7.41 1j0yB1 THR 122 HA -0.08 0.27 0.85 -0.75 4.39 4.68 1j0yB1 THR 122 HB -0.03 0.05 0.18 -0.04 4.32 4.47 1j0yB1 THR 122 HG23 -0.04 0.00 -0.03 -0.04 1.22 1.11 1j0yB1 GLY 123 H -0.05 0.52 -0.47 -0.55 8.43 7.88 1j0yB1 GLY 123 HA2 0.05 0.07 0.19 -0.51 4.01 3.81 1j0yB1 GLY 123 HA3 0.02 0.16 0.49 -0.51 4.01 4.17 1j0yB1 THR 124 H 0.02 -0.03 -0.26 -0.55 8.28 7.46 1j0yB1 THR 124 HA 0.02 0.12 0.40 -0.75 4.39 4.18 1j0yB1 THR 124 HB 0.04 -0.10 0.01 -0.04 4.32 4.23 1j0yB1 THR 124 HG23 0.02 0.02 -0.23 -0.04 1.22 0.98 1j0yB1 VAL 125 H 0.01 0.15 0.23 -0.55 8.24 8.08 1j0yB1 VAL 125 HA 0.16 0.36 0.93 -0.75 4.13 4.83 1j0yB1 VAL 125 HB -0.09 -0.05 0.16 -0.04 2.12 2.11 1j0yB1 VAL 125 HG13 -0.30 -0.01 -0.13 -0.04 0.97 0.48 1j0yB1 VAL 125 HG23 0.06 0.04 0.02 -0.04 0.95 1.03 1j0yB1 ASN 126 H 0.25 0.66 0.31 -0.55 8.53 9.21 1j0yB1 ASN 126 HA 0.05 0.14 0.94 -0.75 4.76 5.15 1j0yB1 ASN 126 HB2 0.08 0.07 -0.11 -0.04 2.88 2.88 1j0yB1 ASN 126 HB3 0.26 -0.02 0.12 -0.04 2.79 3.11 1j0yB1 ASN 126 HD21 -0.02 -0.01 0.00 -0.04 7.03 6.96 1j0yB1 ASN 126 HD22 -0.01 0.04 -0.03 -0.04 7.74 7.70 1j0yB1 LYS 127 H 0.03 0.18 0.08 -0.55 8.42 8.16 1j0yB1 LYS 127 HA 0.28 0.25 0.89 -0.75 4.32 4.99 1j0yB1 LYS 127 HB2 -0.28 0.01 0.04 -0.04 1.87 1.60 1j0yB1 LYS 127 HB3 -0.52 0.03 0.17 -0.04 1.79 1.43 1j0yB1 LYS 127 HG2 -0.86 0.03 -0.05 -0.04 1.46 0.55 1j0yB1 LYS 127 HG3 -0.44 -0.06 -0.42 -0.04 1.46 0.50 1j0yB1 LYS 127 HD2 -0.64 0.00 -0.07 -0.04 1.69 0.94 1j0yB1 LYS 127 HD3 -1.52 0.02 -0.03 -0.04 1.68 0.11 1j0yB1 LYS 127 HE2 -1.16 -0.01 -0.06 -0.04 2.99 1.73 1j0yB1 LYS 127 HE3 -0.97 -0.02 -0.09 -0.04 2.99 1.88 1j0yB1 GLU 128 H 0.21 0.13 0.01 -0.55 8.60 8.40 1j0yB1 GLU 128 HA 0.19 0.23 0.91 -0.75 4.29 4.86 1j0yB1 GLU 128 HB2 0.12 -0.03 0.22 -0.04 2.09 2.37 1j0yB1 GLU 128 HB3 0.08 0.02 0.07 -0.04 1.99 2.11 1j0yB1 GLU 128 HG2 0.07 -0.03 0.05 -0.04 2.34 2.39 1j0yB1 GLU 128 HG3 0.09 0.00 -0.06 -0.04 2.34 2.33 1j0yB1 THR 129 H 0.42 0.27 -0.25 -0.55 8.28 8.18 1j0yB1 THR 129 HA 0.33 0.14 0.47 -0.75 4.39 4.59 1j0yB1 THR 129 HB 0.27 -0.00 -0.37 -0.04 4.32 4.17 1j0yB1 THR 129 HG23 0.31 -0.00 -0.25 -0.04 1.22 1.24 1j0yB1 LEU 130 H 0.29 0.17 0.08 -0.55 8.37 8.37 1j0yB1 LEU 130 HA 0.13 0.22 0.68 -0.75 4.35 4.62 1j0yB1 LEU 130 HB2 0.11 -0.00 0.04 -0.04 1.64 1.75 1j0yB1 LEU 130 HB3 -0.03 0.04 0.01 -0.04 1.64 1.62 1j0yB1 LEU 130 HG 0.17 -0.02 0.01 -0.04 1.64 1.76 1j0yB1 LEU 130 HD13 0.19 -0.01 -0.07 -0.04 0.93 1.00 1j0yB1 LEU 130 HD23 -0.53 -0.00 -0.06 -0.04 0.89 0.26 1j0yB1 ASN 131 H -0.12 0.55 0.20 -0.55 8.53 8.62 1j0yB1 ASN 131 HA -0.65 0.11 0.40 -0.75 4.76 3.86 1j0yB1 ASN 131 HB2 -0.68 0.03 -0.25 -0.04 2.88 1.94 1j0yB1 ASN 131 HB3 -0.24 0.09 0.14 -0.04 2.79 2.75 1j0yB1 ASN 131 HD21 -0.02 -0.08 0.08 -0.04 7.03 6.96 1j0yB1 ASN 131 HD22 -0.37 0.46 0.01 -0.04 7.74 7.79 1j0yB1 PRO 132 HA -0.29 0.08 0.28 -0.51 4.44 4.00 1j0yB1 PRO 132 HB2 -0.33 0.06 -0.01 -0.04 2.28 1.96 1j0yB1 PRO 132 HB3 -1.03 0.10 0.09 -0.04 2.02 1.13 1j0yB1 PRO 132 HG2 -0.25 -0.03 -0.04 -0.04 2.03 1.67 1j0yB1 PRO 132 HG3 -0.43 0.09 -0.00 -0.04 2.03 1.65 1j0yB1 PRO 132 HD2 -0.07 0.02 0.21 -0.04 3.68 3.80 1j0yB1 PRO 132 HD3 -0.09 0.27 0.20 -0.04 3.65 3.99 1j0yB1 LEU 133 H -0.09 0.06 -0.62 -0.55 8.37 7.18 1j0yB1 LEU 133 HA 0.03 0.12 0.47 -0.75 4.35 4.23 1j0yB1 LEU 133 HB2 0.16 0.05 0.03 -0.04 1.64 1.84 1j0yB1 LEU 133 HB3 0.41 -0.04 -0.04 -0.04 1.64 1.93 1j0yB1 LEU 133 HG -0.01 0.02 -0.02 -0.04 1.64 1.59 1j0yB1 LEU 133 HD13 0.18 0.00 -0.02 -0.04 0.93 1.06 1j0yB1 LEU 133 HD23 0.03 0.02 0.00 -0.04 0.89 0.90 1j0yB1 ALA 134 H -0.03 0.50 -0.19 -0.55 8.40 8.14 1j0yB1 ALA 134 HA 0.01 0.05 0.54 -0.75 4.34 4.19 1j0yB1 ALA 134 HB3 -0.11 0.02 0.03 -0.04 1.41 1.31 1j0yB1 SER 135 H 0.05 0.59 -0.23 -0.55 8.46 8.33 1j0yB1 SER 135 HA -0.04 0.07 0.28 -0.75 4.49 4.04 1j0yB1 SER 135 HB2 -0.00 0.01 0.05 -0.04 3.95 3.96 1j0yB1 SER 135 HB3 0.02 0.19 0.05 -0.04 3.93 4.15 1j0yB1 ASP 136 H 0.01 0.09 -0.28 -0.55 8.40 7.67 1j0yB1 ASP 136 HA -0.00 0.14 0.46 -0.75 4.63 4.48 1j0yB1 ASP 136 HB2 0.01 0.05 0.02 -0.04 2.71 2.75 1j0yB1 ASP 136 HB3 0.02 0.05 0.07 -0.04 2.70 2.79 1j0yB1 VAL 137 H -0.04 0.15 -0.17 -0.55 8.24 7.63 1j0yB1 VAL 137 HA 0.01 0.08 0.44 -0.75 4.13 3.91 1j0yB1 VAL 137 HB -0.06 0.12 0.10 -0.04 2.12 2.24 1j0yB1 VAL 137 HG13 -0.00 0.00 -0.08 -0.04 0.97 0.85 1j0yB1 VAL 137 HG23 -0.03 -0.01 -0.02 -0.04 0.95 0.85 1j0yB1 ILE 138 H -0.11 0.48 -0.10 -0.55 8.25 7.98 1j0yB1 ILE 138 HA -0.41 -0.01 0.31 -0.75 4.18 3.31 1j0yB1 ILE 138 HB -0.18 0.05 0.05 -0.04 1.89 1.78 1j0yB1 ILE 138 HG12 -0.15 0.18 -0.08 -0.04 1.49 1.40 1j0yB1 ILE 138 HG13 -0.12 0.03 -0.22 -0.04 1.21 0.87 1j0yB1 ILE 138 HG23 -0.76 0.01 -0.13 -0.04 0.93 0.00 1j0yB1 ILE 138 HD13 -0.27 0.00 -0.16 -0.04 0.88 0.41 1j0yB1 ARG 139 H -0.10 0.60 -0.25 -0.55 8.46 8.16 1j0yB1 ARG 139 HA -0.10 0.02 0.33 -0.75 4.34 3.84 1j0yB1 ARG 139 HB2 -0.05 0.08 0.13 -0.04 1.90 2.03 1j0yB1 ARG 139 HB3 -0.03 0.04 0.13 -0.04 1.80 1.90 1j0yB1 ARG 139 HG2 -0.02 -0.02 -0.13 -0.04 1.67 1.46 1j0yB1 ARG 139 HG3 -0.03 -0.00 0.05 -0.04 1.67 1.64 1j0yB1 ARG 139 HD2 -0.01 -0.02 -0.01 -0.04 3.22 3.14 1j0yB1 ARG 139 HD3 -0.01 -0.01 -0.03 -0.04 3.22 3.14 1j0yB1 LYS 140 H -0.01 0.37 -0.25 -0.55 8.42 7.98 1j0yB1 LYS 140 HA 0.02 0.07 0.48 -0.75 4.32 4.13 1j0yB1 LYS 140 HB2 0.03 0.04 0.14 -0.04 1.87 2.04 1j0yB1 LYS 140 HB3 0.06 0.02 0.24 -0.04 1.79 2.07 1j0yB1 LYS 140 HG2 0.11 -0.03 -0.23 -0.04 1.46 1.27 1j0yB1 LYS 140 HG3 0.06 -0.00 0.02 -0.04 1.46 1.50 1j0yB1 LYS 140 HD2 0.06 0.01 0.01 -0.04 1.69 1.73 1j0yB1 LYS 140 HD3 0.11 -0.02 0.02 -0.04 1.68 1.75 1j0yB1 LYS 140 HE2 0.06 0.01 -0.02 -0.04 2.99 3.00 1j0yB1 LYS 140 HE3 0.08 0.00 -0.02 -0.04 2.99 3.01 1j0yB1 GLU 141 H 0.08 0.61 0.09 -0.55 8.60 8.84 1j0yB1 GLU 141 HA 0.22 -0.01 0.36 -0.75 4.29 4.10 1j0yB1 GLU 141 HB2 0.24 0.07 0.08 -0.04 2.09 2.43 1j0yB1 GLU 141 HB3 0.46 -0.05 0.00 -0.04 1.99 2.36 1j0yB1 GLU 141 HG2 0.20 0.12 0.13 -0.04 2.34 2.75 1j0yB1 GLU 141 HG3 0.34 -0.03 0.01 -0.04 2.34 2.62 1j0yB1 TYR 142 H 0.03 0.69 0.02 -0.55 8.29 8.48 1j0yB1 TYR 142 HA -0.65 -0.02 0.57 -0.75 4.56 3.72 1j0yB1 TYR 142 HB2 -0.37 0.25 0.08 -0.04 3.06 2.98 1j0yB1 TYR 142 HB3 -0.97 -0.01 -0.00 -0.04 2.98 1.95 1j0yB1 TYR 142 HD2 -0.33 -0.06 -0.04 -0.04 7.15 6.68 1j0yB1 TYR 142 HE2 -0.10 0.03 0.00 -0.04 6.85 6.74 1j0yB1 GLY 143 H -0.10 0.37 -0.31 -0.55 8.43 7.84 1j0yB1 GLY 143 HA2 -0.13 0.03 0.46 -0.51 4.01 3.87 1j0yB1 GLY 143 HA3 -0.06 0.20 0.37 -0.51 4.01 4.01 1j0yB1 GLU 144 H 0.03 0.56 -0.05 -0.55 8.60 8.59 1j0yB1 GLU 144 HA 0.09 0.06 0.47 -0.75 4.29 4.15 1j0yB1 GLU 144 HB2 0.22 0.03 0.14 -0.04 2.09 2.44 1j0yB1 GLU 144 HB3 0.32 -0.09 0.03 -0.04 1.99 2.21 1j0yB1 GLU 144 HG2 0.12 -0.03 0.03 -0.04 2.34 2.42 1j0yB1 GLU 144 HG3 0.09 0.22 0.11 -0.04 2.34 2.71 1j0yB1 LEU 145 H 0.01 0.52 -0.16 -0.55 8.37 8.19 1j0yB1 LEU 145 HA 0.14 -0.01 0.46 -0.75 4.35 4.18 1j0yB1 LEU 145 HB2 -0.02 0.02 0.12 -0.04 1.64 1.72 1j0yB1 LEU 145 HB3 -0.26 0.08 0.20 -0.04 1.64 1.61 1j0yB1 LEU 145 HG 0.04 0.02 -0.22 -0.04 1.64 1.44 1j0yB1 LEU 145 HD13 0.33 -0.02 -0.05 -0.04 0.93 1.14 1j0yB1 LEU 145 HD23 -0.71 -0.01 -0.07 -0.04 0.89 0.06 1j0yB1 TYR 146 H -0.05 0.66 -0.02 -0.55 8.29 8.34 1j0yB1 TYR 146 HA 0.06 -0.03 0.36 -0.75 4.56 4.20 1j0yB1 TYR 146 HB2 -0.17 0.11 0.12 -0.04 3.06 3.08 1j0yB1 TYR 146 HB3 -0.48 0.00 -0.02 -0.04 2.98 2.44 1j0yB1 TYR 146 HD2 -0.11 -0.06 -0.25 -0.04 7.15 6.69 1j0yB1 TYR 146 HE2 -0.17 0.01 0.02 -0.04 6.85 6.66 1j0yB1 THR 147 H 0.01 0.43 -0.25 -0.55 8.28 7.92 1j0yB1 THR 147 HA -0.10 0.10 0.51 -0.75 4.39 4.16 1j0yB1 THR 147 HB 0.00 0.04 0.16 -0.04 4.32 4.48 1j0yB1 THR 147 HG23 -0.02 -0.02 -0.06 -0.04 1.22 1.08 1j0yB1 ALA 148 H -0.06 0.55 -0.07 -0.55 8.40 8.27 1j0yB1 ALA 148 HA -0.14 0.02 0.47 -0.75 4.34 3.93 1j0yB1 ALA 148 HB3 -0.48 -0.00 0.13 -0.04 1.41 1.02 1j0yB1 PHE 149 H 0.00 0.62 -0.24 -0.55 8.34 8.17 1j0yB1 PHE 149 HA -1.02 -0.08 0.39 -0.75 4.62 3.15 1j0yB1 PHE 149 HB2 -0.03 -0.02 0.06 -0.04 3.15 3.13 1j0yB1 PHE 149 HB3 0.08 0.18 0.12 -0.04 3.06 3.39 1j0yB1 PHE 149 HD2 0.02 0.03 -0.12 -0.04 7.28 7.17 1j0yB1 PHE 149 HE2 -0.34 -0.01 -0.06 -0.04 7.38 6.92 1j0yB1 PHE 149 HZ -0.04 -0.00 -0.06 -0.04 7.32 7.18 1j0yB1 ALA 150 H 0.17 0.54 -0.14 -0.55 8.40 8.42 1j0yB1 ALA 150 HA 0.48 0.00 0.37 -0.75 4.34 4.44 1j0yB1 ALA 150 HB3 0.26 0.03 0.13 -0.04 1.41 1.80 1j0yB1 ALA 151 H -0.09 0.42 -0.22 -0.55 8.40 7.97 1j0yB1 ALA 151 HA -0.07 0.06 0.46 -0.75 4.34 4.04 1j0yB1 ALA 151 HB3 -0.08 0.01 0.11 -0.04 1.41 1.41 1j0yB1 ALA 152 H -0.39 0.43 -0.13 -0.55 8.40 7.76 1j0yB1 ALA 152 HA -0.13 0.05 0.57 -0.75 4.34 4.07 1j0yB1 ALA 152 HB3 -0.51 -0.02 0.09 -0.04 1.41 0.93 1j0yB1 MET 153 H -0.29 0.51 -0.21 -0.55 8.47 7.93 1j0yB1 MET 153 HA 0.04 0.07 0.70 -0.75 4.52 4.58 1j0yB1 MET 153 HB2 -0.21 0.14 0.01 -0.04 2.15 2.05 1j0yB1 MET 153 HB3 -0.11 -0.04 0.02 -0.04 2.03 1.86 1j0yB1 MET 153 HG2 -1.35 0.08 -0.03 -0.04 2.63 1.29 1j0yB1 MET 153 HG3 -1.37 -0.03 -0.07 -0.04 2.56 1.04 1j0yB1 MET 153 HE3 -0.16 0.02 -0.08 -0.04 2.10 1.85 1j0yB1 LYS 154 H -0.02 0.24 -0.38 -0.55 8.42 7.70 1j0yB1 LYS 154 HA -0.18 0.05 0.36 -0.75 4.32 3.79 1j0yB1 LYS 154 HB2 -0.11 0.11 0.20 -0.04 1.87 2.03 1j0yB1 LYS 154 HB3 -0.11 0.03 0.10 -0.04 1.79 1.78 1j0yB1 LYS 154 HG2 -0.15 -0.05 -0.09 -0.04 1.46 1.13 1j0yB1 LYS 154 HG3 -0.24 0.02 0.07 -0.04 1.46 1.27 1j0yB1 LYS 154 HD2 -0.12 -0.00 0.03 -0.04 1.69 1.56 1j0yB1 LYS 154 HD3 -0.10 -0.01 0.03 -0.04 1.68 1.56 1j0yB1 LYS 154 HE2 -0.10 -0.02 -0.01 -0.04 2.99 2.81 1j0yB1 LYS 154 HE3 -0.13 0.04 0.01 -0.04 2.99 2.87 1j0yB1 PRO 155 HA -0.24 0.06 0.40 -0.51 4.44 4.15 1j0yB1 PRO 155 HB2 -0.95 0.02 -0.05 -0.04 2.28 1.26 1j0yB1 PRO 155 HB3 -0.41 -0.03 0.09 -0.04 2.02 1.64 1j0yB1 PRO 155 HG2 -0.15 0.01 0.03 -0.04 2.03 1.88 1j0yB1 PRO 155 HG3 -0.16 -0.00 0.03 -0.04 2.03 1.85 1j0yB1 PRO 155 HD2 -0.07 0.24 -0.31 -0.04 3.68 3.50 1j0yB1 PRO 155 HD3 -0.10 0.15 -0.01 -0.04 3.65 3.65 1j0yB1 TYR 156 H 0.01 0.68 -0.46 -0.55 8.29 7.96 1j0yB1 TYR 156 HA -0.00 0.17 0.92 -0.75 4.56 4.90 1j0yB1 TYR 156 HB2 -0.01 0.09 0.05 -0.04 3.06 3.15 1j0yB1 TYR 156 HB3 -0.00 -0.05 0.13 -0.04 2.98 3.01 1j0yB1 TYR 156 HD2 -0.06 0.06 -0.06 -0.04 7.15 7.06 1j0yB1 TYR 156 HE2 -0.08 0.00 -0.03 -0.04 6.85 6.71 1j0yB1 LYS 157 H 0.05 0.46 -0.08 -0.55 8.42 8.30 1j0yB1 LYS 157 HA 0.38 0.01 0.27 -0.75 4.32 4.22 1j0yB1 LYS 157 HB2 0.10 0.09 0.12 -0.04 1.87 2.14 1j0yB1 LYS 157 HB3 -0.09 0.03 0.15 -0.04 1.79 1.84 1j0yB1 LYS 157 HG2 -0.11 0.05 0.10 -0.04 1.46 1.46 1j0yB1 LYS 157 HG3 -0.02 -0.19 0.05 -0.04 1.46 1.25 1j0yB1 LYS 157 HD2 -0.04 -0.10 -0.02 -0.04 1.69 1.49 1j0yB1 LYS 157 HD3 0.01 0.01 -0.22 -0.04 1.68 1.44 1j0yB1 LYS 157 HE2 -0.05 0.04 0.14 -0.04 2.99 3.08 1j0yB1 LYS 157 HE3 -0.14 0.04 0.12 -0.04 2.99 2.97 1j0yB1 ASP 158 H 0.05 0.05 -0.39 -0.55 8.40 7.56 1j0yB1 ASP 158 HA 0.05 0.15 0.45 -0.75 4.63 4.52 1j0yB1 ASP 158 HB2 0.02 0.02 0.06 -0.04 2.71 2.76 1j0yB1 ASP 158 HB3 0.01 -0.02 0.06 -0.04 2.70 2.71 1j0yB1 VAL 159 H 0.09 0.57 -0.15 -0.55 8.24 8.20 1j0yB1 VAL 159 HA 0.02 0.25 0.88 -0.75 4.13 4.52 1j0yB1 VAL 159 HB 0.03 0.00 0.14 -0.04 2.12 2.25 1j0yB1 VAL 159 HG13 0.07 -0.01 -0.03 -0.04 0.97 0.95 1j0yB1 VAL 159 HG23 0.11 0.09 -0.03 -0.04 0.95 1.07 1j0yB1 ILE 160 H 0.08 0.35 -0.22 -0.55 8.25 7.91 1j0yB1 ILE 160 HA -0.01 0.10 0.90 -0.75 4.18 4.42 1j0yB1 ILE 160 HB 0.03 0.13 0.13 -0.04 1.89 2.14 1j0yB1 ILE 160 HG12 -0.03 -0.05 -0.08 -0.04 1.49 1.28 1j0yB1 ILE 160 HG13 0.05 0.01 -0.18 -0.04 1.21 1.06 1j0yB1 ILE 160 HG23 -0.26 -0.01 -0.15 -0.04 0.93 0.47 1j0yB1 ILE 160 HD13 -0.14 -0.03 -0.13 -0.04 0.88 0.54 1j0yB1 ALA 161 H -0.03 0.52 0.36 -0.55 8.40 8.70 1j0yB1 ALA 161 HA 0.06 0.19 0.67 -0.75 4.34 4.51 1j0yB1 ALA 161 HB3 0.11 -0.02 -0.03 -0.04 1.41 1.42 1j0yB1 LYS 162 H -0.15 0.30 0.22 -0.55 8.42 8.22 1j0yB1 LYS 162 HA -0.18 0.21 0.44 -0.75 4.32 4.04 1j0yB1 LYS 162 HB2 -0.19 0.17 -0.17 -0.04 1.87 1.64 1j0yB1 LYS 162 HB3 -0.35 -0.16 -0.22 -0.04 1.79 1.03 1j0yB1 LYS 162 HG2 -0.62 -0.11 -0.31 -0.04 1.46 0.37 1j0yB1 LYS 162 HG3 -0.30 0.45 -0.11 -0.04 1.46 1.46 1j0yB1 LYS 162 HD2 -0.36 -0.07 -0.33 -0.04 1.69 0.89 1j0yB1 LYS 162 HD3 -0.20 0.06 -0.19 -0.04 1.68 1.31 1j0yB1 LYS 162 HE2 -0.39 0.03 -0.24 -0.04 2.99 2.35 1j0yB1 LYS 162 HE3 -0.91 -0.08 -0.29 -0.04 2.99 1.66 1j0yB1 ILE 163 H -0.34 0.64 0.24 -0.55 8.25 8.25 1j0yB1 ILE 163 HA -0.36 0.22 0.93 -0.75 4.18 4.21 1j0yB1 ILE 163 HB -0.49 0.02 0.05 -0.04 1.89 1.43 1j0yB1 ILE 163 HG12 -0.57 -0.01 -0.05 -0.04 1.49 0.82 1j0yB1 ILE 163 HG13 -0.46 -0.01 -0.56 -0.04 1.21 0.14 1j0yB1 ILE 163 HG23 -0.70 -0.02 -0.15 -0.04 0.93 0.01 1j0yB1 ILE 163 HD13 -1.27 -0.00 -0.12 -0.04 0.88 -0.55 1j0yB1 TYR 164 H -0.17 0.64 0.26 -0.55 8.29 8.46 1j0yB1 TYR 164 HA -0.14 0.21 0.96 -0.75 4.56 4.84 1j0yB1 TYR 164 HB2 -0.19 0.01 0.00 -0.04 3.06 2.84 1j0yB1 TYR 164 HB3 -0.12 -0.01 -0.16 -0.04 2.98 2.64 1j0yB1 TYR 164 HD2 -0.11 0.04 -0.35 -0.04 7.15 6.68 1j0yB1 TYR 164 HE2 -0.10 0.01 -0.28 -0.04 6.85 6.43 1j0yB1 LEU 165 H 0.08 0.68 0.37 -0.55 8.37 8.95 1j0yB1 LEU 165 HA -0.11 0.09 0.94 -0.75 4.35 4.52 1j0yB1 LEU 165 HB2 0.01 -0.00 -0.02 -0.04 1.64 1.59 1j0yB1 LEU 165 HB3 0.02 -0.03 -0.01 -0.04 1.64 1.59 1j0yB1 LEU 165 HG -0.10 0.13 -0.09 -0.04 1.64 1.54 1j0yB1 LEU 165 HD13 -0.02 0.00 -0.19 -0.04 0.93 0.68 1j0yB1 LEU 165 HD23 -0.38 0.00 -0.19 -0.04 0.89 0.27 1j0yB1 SER 166 H 0.00 0.28 0.19 -0.55 8.46 8.38 1j0yB1 SER 166 HA 0.05 0.20 0.70 -0.75 4.49 4.68 1j0yB1 SER 166 HB2 0.19 0.00 0.07 -0.04 3.95 4.17 1j0yB1 SER 166 HB3 0.12 -0.06 0.29 -0.04 3.93 4.23 1j0yB1 GLY 167 H 0.08 0.31 -0.16 -0.55 8.43 8.12 1j0yB1 GLY 167 HA2 0.23 0.16 0.53 -0.51 4.01 4.42 1j0yB1 GLY 167 HA3 0.15 0.01 0.16 -0.51 4.01 3.82 1j0yB1 GLY 168 H 0.09 0.00 -0.47 -0.55 8.43 7.51 1j0yB1 GLY 168 HA2 0.12 0.02 0.19 -0.51 4.01 3.83 1j0yB1 GLY 168 HA3 0.02 0.30 0.63 -0.51 4.01 4.45 1j0yB1 PRO 169 HA 0.04 0.01 0.40 -0.51 4.44 4.38 1j0yB1 PRO 169 HB2 -0.13 0.04 -0.09 -0.04 2.28 2.05 1j0yB1 PRO 169 HB3 -0.06 -0.02 0.00 -0.04 2.02 1.89 1j0yB1 PRO 169 HG2 -0.22 0.00 -0.17 -0.04 2.03 1.60 1j0yB1 PRO 169 HG3 -0.08 -0.03 -0.03 -0.04 2.03 1.85 1j0yB1 PRO 169 HD2 -0.10 0.22 0.06 -0.04 3.68 3.82 1j0yB1 PRO 169 HD3 -0.05 0.22 0.22 -0.04 3.65 3.99 1j0yB1 ALA 170 H -0.01 0.19 0.14 -0.55 8.40 8.17 1j0yB1 ALA 170 HA -0.01 0.05 0.26 -0.75 4.34 3.88 1j0yB1 ALA 170 HB3 0.00 0.04 -0.06 -0.04 1.41 1.35 1j0yB1 GLY 171 H -0.89 0.29 -0.49 -0.55 8.43 6.80 1j0yB1 GLY 171 HA2 -0.28 -0.09 0.19 -0.51 4.01 3.32 1j0yB1 GLY 171 HA3 -0.23 0.08 0.36 -0.51 4.01 3.71 1j0yB1 GLU 172 H -0.10 0.55 -0.60 -0.55 8.60 7.90 1j0yB1 GLU 172 HA 0.06 0.24 0.74 -0.75 4.29 4.57 1j0yB1 GLU 172 HB2 0.04 0.07 -0.17 -0.04 2.09 1.99 1j0yB1 GLU 172 HB3 0.13 -0.08 -0.24 -0.04 1.99 1.76 1j0yB1 GLU 172 HG2 0.03 0.01 -0.43 -0.04 2.34 1.90 1j0yB1 GLU 172 HG3 -0.02 0.10 -0.58 -0.04 2.34 1.80 1j0yB1 LEU 173 H 0.18 0.70 0.22 -0.55 8.37 8.92 1j0yB1 LEU 173 HA 0.11 0.29 0.42 -0.75 4.35 4.41 1j0yB1 LEU 173 HB2 0.20 -0.04 0.12 -0.04 1.64 1.87 1j0yB1 LEU 173 HB3 0.32 -0.01 0.22 -0.04 1.64 2.13 1j0yB1 LEU 173 HG 0.13 -0.01 -0.12 -0.04 1.64 1.60 1j0yB1 LEU 173 HD13 0.13 0.08 0.06 -0.04 0.93 1.17 1j0yB1 LEU 173 HD23 0.18 -0.01 -0.06 -0.04 0.89 0.96 1j0yB1 ARG 174 H -0.05 0.46 0.24 -0.55 8.46 8.57 1j0yB1 ARG 174 HA -0.16 0.14 0.50 -0.75 4.34 4.06 1j0yB1 ARG 174 HB2 -0.23 0.06 0.23 -0.04 1.90 1.92 1j0yB1 ARG 174 HB3 0.03 0.02 -0.25 -0.04 1.80 1.57 1j0yB1 ARG 174 HG2 -0.01 0.04 -0.41 -0.04 1.67 1.25 1j0yB1 ARG 174 HG3 -0.13 0.03 -0.43 -0.04 1.67 1.09 1j0yB1 ARG 174 HD2 0.01 0.02 -0.06 -0.04 3.22 3.15 1j0yB1 ARG 174 HD3 0.16 -0.10 -0.17 -0.04 3.22 3.07 1j0yB1 TYR 175 H -0.05 0.51 0.30 -0.55 8.29 8.49 1j0yB1 TYR 175 HA -0.34 0.16 0.79 -0.75 4.56 4.41 1j0yB1 TYR 175 HB2 -0.13 0.08 0.13 -0.04 3.06 3.10 1j0yB1 TYR 175 HB3 -0.15 -0.05 0.04 -0.04 2.98 2.78 1j0yB1 TYR 175 HD2 -0.12 0.05 -0.14 -0.04 7.15 6.91 1j0yB1 TYR 175 HE2 -0.44 0.06 -0.00 -0.04 6.85 6.42 1j0yB1 PRO 176 HA -0.30 0.10 0.41 -0.51 4.44 4.13 1j0yB1 PRO 176 HB2 -0.17 -0.04 0.11 -0.04 2.28 2.14 1j0yB1 PRO 176 HB3 -0.28 0.01 0.06 -0.04 2.02 1.77 1j0yB1 PRO 176 HG2 -0.31 0.03 -0.01 -0.04 2.03 1.69 1j0yB1 PRO 176 HG3 -0.77 -0.02 0.05 -0.04 2.03 1.24 1j0yB1 PRO 176 HD2 -0.80 0.12 0.17 -0.04 3.68 3.13 1j0yB1 PRO 176 HD3 -1.15 0.19 0.17 -0.04 3.65 2.82 1j0yB1 SER 177 H -0.11 0.58 -0.20 -0.55 8.46 8.18 1j0yB1 SER 177 HA 0.01 0.13 0.39 -0.75 4.49 4.26 1j0yB1 SER 177 HB2 0.01 -0.13 -0.07 -0.04 3.95 3.72 1j0yB1 SER 177 HB3 0.01 0.19 -0.28 -0.04 3.93 3.81 1j0yB1 TYR 178 H -0.22 0.10 -0.31 -0.55 8.29 7.31 1j0yB1 TYR 178 HA 0.10 0.28 0.86 -0.75 4.56 5.04 1j0yB1 TYR 178 HB2 0.25 -0.08 -0.05 -0.04 3.06 3.13 1j0yB1 TYR 178 HB3 0.34 0.16 -0.11 -0.04 2.98 3.32 1j0yB1 TYR 178 HD2 0.14 -0.03 -0.06 -0.04 7.15 7.17 1j0yB1 TYR 178 HE2 0.11 0.01 -0.04 -0.04 6.85 6.89 1j0yB1 THR 179 H 0.10 0.25 -0.15 -0.55 8.28 7.93 1j0yB1 THR 179 HA 0.06 0.23 0.73 -0.75 4.39 4.65 1j0yB1 THR 179 HB 0.01 -0.08 0.03 -0.04 4.32 4.24 1j0yB1 THR 179 HG23 -0.04 0.04 -0.26 -0.04 1.22 0.92 1j0yB1 THR 180 H 0.02 0.26 0.13 -0.55 8.28 8.15 1j0yB1 THR 180 HA 0.02 0.08 0.44 -0.75 4.39 4.17 1j0yB1 THR 180 HB 0.00 0.09 -0.00 -0.04 4.32 4.37 1j0yB1 THR 180 HG23 0.00 0.02 0.04 -0.04 1.22 1.24 1j0yB1 SER 181 H 0.00 0.10 -0.05 -0.55 8.46 7.97 1j0yB1 SER 181 HA -0.00 0.16 0.43 -0.75 4.49 4.32 1j0yB1 SER 181 HB2 -0.01 0.07 0.01 -0.04 3.95 3.99 1j0yB1 SER 181 HB3 -0.01 0.04 0.09 -0.04 3.93 4.01 1j0yB1 ASP 182 H 0.02 0.04 -0.57 -0.55 8.40 7.35 1j0yB1 ASP 182 HA 0.01 0.17 0.67 -0.75 4.63 4.72 1j0yB1 ASP 182 HB2 0.02 -0.03 -0.08 -0.04 2.71 2.58 1j0yB1 ASP 182 HB3 0.03 -0.01 -0.05 -0.04 2.70 2.63 1j0yB1 GLY 183 H 0.01 0.32 -0.45 -0.55 8.43 7.77 1j0yB1 GLY 183 HA2 0.01 0.04 0.34 -0.51 4.01 3.88 1j0yB1 GLY 183 HA3 0.01 0.06 0.40 -0.51 4.01 3.96 1j0yB1 THR 184 H 0.05 0.32 -0.19 -0.55 8.28 7.91 1j0yB1 THR 184 HA 0.06 0.33 0.90 -0.75 4.39 4.92 1j0yB1 THR 184 HB 0.14 0.10 0.30 -0.04 4.32 4.82 1j0yB1 THR 184 HG23 0.04 0.06 -0.13 -0.04 1.22 1.15 1j0yB1 GLY 185 H 0.04 0.05 -0.29 -0.55 8.43 7.68 1j0yB1 GLY 185 HA2 0.11 -0.01 0.14 -0.51 4.01 3.74 1j0yB1 GLY 185 HA3 0.02 0.00 0.11 -0.51 4.01 3.62 1j0yB1 TYR 186 H -0.15 0.02 0.06 -0.55 8.29 7.68 1j0yB1 TYR 186 HA -1.05 0.12 0.39 -0.75 4.56 3.28 1j0yB1 TYR 186 HB2 -1.61 0.01 0.10 -0.04 3.06 1.52 1j0yB1 TYR 186 HB3 -0.57 -0.04 0.09 -0.04 2.98 2.41 1j0yB1 TYR 186 HD2 -1.32 -0.01 -0.11 -0.04 7.15 5.68 1j0yB1 TYR 186 HE2 -0.08 -0.03 -0.05 -0.04 6.85 6.65 1j0yB1 PRO 187 HA -1.49 -0.01 0.30 -0.51 4.44 2.73 1j0yB1 PRO 187 HB2 -0.44 0.04 0.17 -0.04 2.28 2.01 1j0yB1 PRO 187 HB3 -1.75 -0.06 0.07 -0.04 2.02 0.24 1j0yB1 PRO 187 HG2 -0.32 0.08 -0.18 -0.04 2.03 1.57 1j0yB1 PRO 187 HG3 -0.46 -0.03 -0.02 -0.04 2.03 1.47 1j0yB1 PRO 187 HD2 -0.30 0.11 0.09 -0.04 3.68 3.55 1j0yB1 PRO 187 HD3 -0.45 0.09 0.24 -0.04 3.65 3.48 1j0yB1 SER 188 H -0.18 0.44 -0.05 -0.55 8.46 8.12 1j0yB1 SER 188 HA 0.01 -0.02 0.37 -0.75 4.49 4.09 1j0yB1 SER 188 HB2 0.05 0.08 -0.15 -0.04 3.95 3.88 1j0yB1 SER 188 HB3 0.02 -0.05 0.12 -0.04 3.93 3.99 1j0yB1 ARG 189 H 0.06 0.01 0.13 -0.55 8.46 8.11 1j0yB1 ARG 189 HA 0.07 0.03 0.31 -0.75 4.34 4.00 1j0yB1 ARG 189 HB2 0.00 0.18 0.14 -0.04 1.90 2.19 1j0yB1 ARG 189 HB3 0.03 -0.09 0.10 -0.04 1.80 1.80 1j0yB1 ARG 189 HG2 0.03 -0.09 0.05 -0.04 1.67 1.62 1j0yB1 ARG 189 HG3 0.03 0.06 -0.27 -0.04 1.67 1.44 1j0yB1 ARG 189 HD2 0.01 0.16 -0.04 -0.04 3.22 3.32 1j0yB1 ARG 189 HD3 0.03 -0.07 -0.00 -0.04 3.22 3.14 1j0yB1 GLY 190 H -0.03 0.42 0.35 -0.55 8.43 8.62 1j0yB1 GLY 190 HA2 0.08 0.24 0.71 -0.51 4.01 4.54 1j0yB1 GLY 190 HA3 0.00 -0.03 0.30 -0.51 4.01 3.77 1j0yB1 LYS 191 H -0.00 0.39 0.25 -0.55 8.42 8.50 1j0yB1 LYS 191 HA -0.05 0.10 0.89 -0.75 4.32 4.50 1j0yB1 LYS 191 HB2 0.02 0.04 0.13 -0.04 1.87 2.03 1j0yB1 LYS 191 HB3 0.02 -0.17 0.11 -0.04 1.79 1.70 1j0yB1 LYS 191 HG2 0.00 -0.06 0.04 -0.04 1.46 1.40 1j0yB1 LYS 191 HG3 0.01 0.14 -0.16 -0.04 1.46 1.41 1j0yB1 LYS 191 HD2 0.01 0.05 0.05 -0.04 1.69 1.75 1j0yB1 LYS 191 HD3 -0.02 -0.26 0.06 -0.04 1.68 1.42 1j0yB1 LYS 191 HE2 -0.01 -0.08 0.00 -0.04 2.99 2.86 1j0yB1 LYS 191 HE3 0.01 0.13 -0.03 -0.04 2.99 3.05 1j0yB1 PHE 192 H 0.16 0.07 0.14 -0.55 8.34 8.16 1j0yB1 PHE 192 HA 0.01 0.20 0.51 -0.75 4.62 4.59 1j0yB1 PHE 192 HB2 0.12 -0.03 0.11 -0.04 3.15 3.30 1j0yB1 PHE 192 HB3 -0.16 -0.00 0.03 -0.04 3.06 2.88 1j0yB1 PHE 192 HD2 -0.60 -0.03 0.02 -0.04 7.28 6.63 1j0yB1 PHE 192 HE2 0.01 0.08 -0.13 -0.04 7.38 7.30 1j0yB1 PHE 192 HZ 0.24 0.05 -0.18 -0.04 7.32 7.40 1j0yB1 GLN 193 H 0.28 0.25 0.10 -0.55 8.47 8.55 1j0yB1 GLN 193 HA 0.35 0.22 0.86 -0.75 4.36 5.04 1j0yB1 GLN 193 HB2 0.23 0.04 0.15 -0.04 2.15 2.54 1j0yB1 GLN 193 HB3 0.34 -0.09 0.08 -0.04 2.02 2.32 1j0yB1 GLN 193 HG2 0.10 0.16 -0.22 -0.04 2.40 2.40 1j0yB1 GLN 193 HG3 0.01 -0.10 -0.35 -0.04 2.39 1.91 1j0yB1 GLN 193 HE21 0.06 -0.15 -0.11 -0.04 6.97 6.73 1j0yB1 GLN 193 HE22 0.05 0.43 -0.13 -0.04 7.69 8.00 1j0yB1 ALA 194 H 0.20 0.18 -0.25 -0.55 8.40 7.99 1j0yB1 ALA 194 HA 0.24 0.15 0.90 -0.75 4.34 4.87 1j0yB1 ALA 194 HB3 0.25 0.02 0.02 -0.04 1.41 1.66 1j0yB1 TYR 195 H 0.32 0.40 -0.01 -0.55 8.29 8.45 1j0yB1 TYR 195 HA 0.10 0.27 0.89 -0.75 4.56 5.07 1j0yB1 TYR 195 HB2 0.10 0.14 -0.23 -0.04 3.06 3.02 1j0yB1 TYR 195 HB3 0.07 -0.00 0.04 -0.04 2.98 3.05 1j0yB1 TYR 195 HD2 0.07 0.06 -0.14 -0.04 7.15 7.10 1j0yB1 TYR 195 HE2 0.00 0.03 -0.19 -0.04 6.85 6.65 1j0yB1 THR 196 H 0.17 0.04 -0.07 -0.55 8.28 7.87 1j0yB1 THR 196 HA 0.12 0.16 0.53 -0.75 4.39 4.45 1j0yB1 THR 196 HB 0.01 -0.11 0.10 -0.04 4.32 4.29 1j0yB1 THR 196 HG23 -0.02 0.07 -0.05 -0.04 1.22 1.18 1j0yB1 GLU 197 H 0.09 0.18 0.16 -0.55 8.60 8.49 1j0yB1 GLU 197 HA 0.08 0.18 0.40 -0.75 4.29 4.19 1j0yB1 GLU 197 HB2 0.09 -0.08 0.10 -0.04 2.09 2.16 1j0yB1 GLU 197 HB3 0.08 0.06 0.08 -0.04 1.99 2.17 1j0yB1 GLU 197 HG2 0.08 -0.03 0.13 -0.04 2.34 2.48 1j0yB1 GLU 197 HG3 0.07 0.04 0.06 -0.04 2.34 2.47 1j0yB1 PHE 198 H 0.20 0.05 -0.30 -0.55 8.34 7.73 1j0yB1 PHE 198 HA 0.04 0.11 0.32 -0.75 4.62 4.33 1j0yB1 PHE 198 HB2 -0.02 -0.14 -0.09 -0.04 3.15 2.86 1j0yB1 PHE 198 HB3 -0.02 0.11 -0.12 -0.04 3.06 2.99 1j0yB1 PHE 198 HD2 0.02 0.04 -0.07 -0.04 7.28 7.23 1j0yB1 PHE 198 HE2 0.03 0.04 -0.14 -0.04 7.38 7.27 1j0yB1 PHE 198 HZ 0.04 0.07 -0.03 -0.04 7.32 7.36 1j0yB1 ALA 199 H 0.16 0.09 -0.29 -0.55 8.40 7.82 1j0yB1 ALA 199 HA 0.16 0.06 0.46 -0.75 4.34 4.27 1j0yB1 ALA 199 HB3 0.24 0.05 -0.00 -0.04 1.41 1.67 1j0yB1 LYS 200 H 0.06 0.46 -0.24 -0.55 8.42 8.14 1j0yB1 LYS 200 HA -0.00 0.05 0.40 -0.75 4.32 4.01 1j0yB1 LYS 200 HB2 0.04 0.08 0.10 -0.04 1.87 2.05 1j0yB1 LYS 200 HB3 0.03 0.03 0.02 -0.04 1.79 1.83 1j0yB1 LYS 200 HG2 -0.00 0.01 0.05 -0.04 1.46 1.47 1j0yB1 LYS 200 HG3 0.03 0.11 -0.07 -0.04 1.46 1.50 1j0yB1 LYS 200 HD2 0.07 -0.10 -0.05 -0.04 1.69 1.57 1j0yB1 LYS 200 HD3 0.06 0.01 -0.01 -0.04 1.68 1.70 1j0yB1 LYS 200 HE2 0.14 -0.00 -0.02 -0.04 2.99 3.07 1j0yB1 LYS 200 HE3 0.14 0.20 -0.18 -0.04 2.99 3.11 1j0yB1 SER 201 H -0.02 0.39 -0.28 -0.55 8.46 8.00 1j0yB1 SER 201 HA -0.04 0.04 0.48 -0.75 4.49 4.22 1j0yB1 SER 201 HB2 -0.14 0.11 0.13 -0.04 3.95 4.00 1j0yB1 SER 201 HB3 -0.04 -0.05 0.02 -0.04 3.93 3.83 1j0yB1 LYS 202 H -0.15 0.46 -0.15 -0.55 8.42 8.02 1j0yB1 LYS 202 HA -0.01 0.02 0.43 -0.75 4.32 4.00 1j0yB1 LYS 202 HB2 0.35 0.08 0.13 -0.04 1.87 2.40 1j0yB1 LYS 202 HB3 0.30 -0.01 0.03 -0.04 1.79 2.07 1j0yB1 LYS 202 HG2 -0.75 0.44 0.13 -0.04 1.46 1.25 1j0yB1 LYS 202 HG3 -0.38 -0.05 0.01 -0.04 1.46 0.99 1j0yB1 LYS 202 HD2 -0.23 -0.05 -0.10 -0.04 1.69 1.26 1j0yB1 LYS 202 HD3 -0.90 -0.06 -0.02 -0.04 1.68 0.67 1j0yB1 LYS 202 HE2 -0.02 0.03 0.02 -0.04 2.99 2.98 1j0yB1 LYS 202 HE3 0.06 0.02 0.03 -0.04 2.99 3.05 1j0yB1 PHE 203 H -0.22 0.56 -0.15 -0.55 8.34 7.98 1j0yB1 PHE 203 HA -1.79 0.04 0.43 -0.75 4.62 2.54 1j0yB1 PHE 203 HB2 -2.13 0.01 0.05 -0.04 3.15 1.04 1j0yB1 PHE 203 HB3 -0.59 0.10 0.09 -0.04 3.06 2.62 1j0yB1 PHE 203 HD2 -0.87 0.01 -0.15 -0.04 7.28 6.22 1j0yB1 PHE 203 HE2 0.10 0.13 -0.22 -0.04 7.38 7.34 1j0yB1 PHE 203 HZ 0.12 0.00 -0.09 -0.04 7.32 7.31 1j0yB1 ARG 204 H -0.19 0.57 -0.15 -0.55 8.46 8.15 1j0yB1 ARG 204 HA -0.32 -0.03 0.32 -0.75 4.34 3.55 1j0yB1 ARG 204 HB2 -0.09 0.24 0.19 -0.04 1.90 2.20 1j0yB1 ARG 204 HB3 -0.08 0.05 0.20 -0.04 1.80 1.92 1j0yB1 ARG 204 HG2 -0.08 -0.11 -0.13 -0.04 1.67 1.31 1j0yB1 ARG 204 HG3 -0.09 0.03 0.10 -0.04 1.67 1.67 1j0yB1 ARG 204 HD2 -0.03 -0.06 -0.03 -0.04 3.22 3.06 1j0yB1 ARG 204 HD3 -0.03 -0.18 -0.22 -0.04 3.22 2.75 1j0yB1 LEU 205 H -0.08 0.65 -0.15 -0.55 8.37 8.25 1j0yB1 LEU 205 HA -0.05 -0.04 0.36 -0.75 4.35 3.86 1j0yB1 LEU 205 HB2 -0.00 0.23 0.18 -0.04 1.64 2.01 1j0yB1 LEU 205 HB3 0.05 0.01 -0.09 -0.04 1.64 1.57 1j0yB1 LEU 205 HG -0.02 -0.06 0.03 -0.04 1.64 1.55 1j0yB1 LEU 205 HD13 0.00 0.00 -0.05 -0.04 0.93 0.84 1j0yB1 LEU 205 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.84 1j0yB1 TRP 206 H 0.11 0.51 -0.31 -0.55 7.97 7.73 1j0yB1 TRP 206 HA 0.01 0.01 0.47 -0.75 4.62 4.35 1j0yB1 TRP 206 HB2 0.16 0.07 0.14 -0.04 3.23 3.56 1j0yB1 TRP 206 HB3 -0.24 0.14 0.20 -0.04 3.23 3.29 1j0yB1 TRP 206 HD1 0.26 -0.01 0.00 -0.04 7.22 7.44 1j0yB1 TRP 206 HE1 0.19 0.01 -0.04 -0.04 10.20 10.31 1j0yB1 TRP 206 HE3 -0.02 0.06 -0.21 -0.04 7.59 7.37 1j0yB1 TRP 206 HZ2 0.16 0.01 -0.07 -0.04 7.44 7.49 1j0yB1 TRP 206 HZ3 0.34 -0.07 -0.08 -0.04 7.13 7.27 1j0yB1 TRP 206 HH2 0.19 -0.02 0.02 -0.04 7.19 7.34 1j0yB1 VAL 207 H -0.02 0.61 -0.11 -0.55 8.24 8.16 1j0yB1 VAL 207 HA -0.12 0.04 0.38 -0.75 4.13 3.68 1j0yB1 VAL 207 HB -0.22 0.13 0.14 -0.04 2.12 2.13 1j0yB1 VAL 207 HG13 -0.21 -0.03 -0.16 -0.04 0.97 0.53 1j0yB1 VAL 207 HG23 -0.20 0.08 -0.05 -0.04 0.95 0.74 1j0yB1 LEU 208 H -0.14 0.58 -0.06 -0.55 8.37 8.21 1j0yB1 LEU 208 HA -0.12 -0.06 0.18 -0.75 4.35 3.59 1j0yB1 LEU 208 HB2 -0.09 0.12 0.03 -0.04 1.64 1.66 1j0yB1 LEU 208 HB3 -0.09 0.00 -0.09 -0.04 1.64 1.42 1j0yB1 LEU 208 HG -0.13 0.21 0.05 -0.04 1.64 1.73 1j0yB1 LEU 208 HD13 -0.07 -0.02 -0.06 -0.04 0.93 0.74 1j0yB1 LEU 208 HD23 -0.12 -0.04 -0.16 -0.04 0.89 0.52 1j0yB1 ASN 209 H -0.17 0.43 -0.42 -0.55 8.53 7.82 1j0yB1 ASN 209 HA -0.13 0.01 0.45 -0.75 4.76 4.33 1j0yB1 ASN 209 HB2 -0.10 -0.01 0.12 -0.04 2.88 2.85 1j0yB1 ASN 209 HB3 -0.23 0.16 0.16 -0.04 2.79 2.84 1j0yB1 ASN 209 HD21 -0.08 -0.03 0.02 -0.04 7.03 6.91 1j0yB1 ASN 209 HD22 -0.08 -0.03 0.07 -0.04 7.74 7.65 1j0yB1 LYS 210 H -0.46 0.36 -0.31 -0.55 8.42 7.46 1j0yB1 LYS 210 HA -0.44 0.08 0.62 -0.75 4.32 3.83 1j0yB1 LYS 210 HB2 -1.01 -0.02 0.08 -0.04 1.87 0.88 1j0yB1 LYS 210 HB3 -0.88 0.11 0.20 -0.04 1.79 1.17 1j0yB1 LYS 210 HG2 -1.63 -0.02 -0.26 -0.04 1.46 -0.49 1j0yB1 LYS 210 HG3 -0.67 -0.02 0.03 -0.04 1.46 0.76 1j0yB1 LYS 210 HD2 -0.61 -0.00 -0.01 -0.04 1.69 1.02 1j0yB1 LYS 210 HD3 -0.65 -0.03 -0.03 -0.04 1.68 0.93 1j0yB1 LYS 210 HE2 -0.33 -0.02 -0.05 -0.04 2.99 2.55 1j0yB1 LYS 210 HE3 -0.30 0.00 -0.02 -0.04 2.99 2.63 1j0yB1 TYR 211 H -0.24 0.40 -0.09 -0.55 8.29 7.81 1j0yB1 TYR 211 HA -0.15 0.23 0.90 -0.75 4.56 4.78 1j0yB1 TYR 211 HB2 -0.28 0.02 -0.10 -0.04 3.06 2.66 1j0yB1 TYR 211 HB3 -0.21 -0.18 -0.09 -0.04 2.98 2.46 1j0yB1 TYR 211 HD2 -0.25 0.00 -0.05 -0.04 7.15 6.81 1j0yB1 TYR 211 HE2 0.04 -0.01 -0.04 -0.04 6.85 6.80 1j0yB1 GLY 212 H -0.12 0.45 -0.19 -0.55 8.43 8.03 1j0yB1 GLY 212 HA2 -0.07 0.06 0.41 -0.51 4.01 3.90 1j0yB1 GLY 212 HA3 -0.05 0.02 0.35 -0.51 4.01 3.82 1j0yB1 SER 213 H -0.05 0.62 -0.10 -0.55 8.46 8.39 1j0yB1 SER 213 HA -0.07 0.24 0.91 -0.75 4.49 4.82 1j0yB1 SER 213 HB2 -0.06 -0.09 0.12 -0.04 3.95 3.88 1j0yB1 SER 213 HB3 -0.05 0.17 -0.10 -0.04 3.93 3.91 1j0yB1 LEU 214 H -0.08 0.24 0.14 -0.55 8.37 8.13 1j0yB1 LEU 214 HA -0.16 0.09 0.30 -0.75 4.35 3.82 1j0yB1 LEU 214 HB2 -0.08 -0.01 0.06 -0.04 1.64 1.57 1j0yB1 LEU 214 HB3 -0.07 0.03 0.05 -0.04 1.64 1.61 1j0yB1 LEU 214 HG -0.08 0.08 -0.22 -0.04 1.64 1.38 1j0yB1 LEU 214 HD13 -0.10 -0.02 -0.14 -0.04 0.93 0.62 1j0yB1 LEU 214 HD23 -0.04 -0.02 -0.42 -0.04 0.89 0.36 1j0yB1 ASN 215 H -0.08 0.04 -0.31 -0.55 8.53 7.63 1j0yB1 ASN 215 HA -0.08 0.13 0.37 -0.75 4.76 4.42 1j0yB1 ASN 215 HB2 -0.05 0.03 0.07 -0.04 2.88 2.88 1j0yB1 ASN 215 HB3 -0.06 -0.05 0.07 -0.04 2.79 2.71 1j0yB1 ASN 215 HD21 -0.04 0.04 -0.12 -0.04 7.03 6.87 1j0yB1 ASN 215 HD22 -0.05 -0.02 -0.15 -0.04 7.74 7.48 1j0yB1 GLU 216 H -0.10 0.13 -0.12 -0.55 8.60 7.97 1j0yB1 GLU 216 HA -0.12 0.06 0.50 -0.75 4.29 3.98 1j0yB1 GLU 216 HB2 -0.05 0.22 0.26 -0.04 2.09 2.48 1j0yB1 GLU 216 HB3 -0.02 0.00 0.15 -0.04 1.99 2.08 1j0yB1 GLU 216 HG2 -0.05 -0.14 0.08 -0.04 2.34 2.19 1j0yB1 GLU 216 HG3 -0.02 0.12 0.11 -0.04 2.34 2.51 1j0yB1 VAL 217 H -0.27 0.32 -0.40 -0.55 8.24 7.34 1j0yB1 VAL 217 HA -1.15 0.09 0.44 -0.75 4.13 2.76 1j0yB1 VAL 217 HB -0.40 0.12 0.11 -0.04 2.12 1.92 1j0yB1 VAL 217 HG13 -1.29 -0.02 -0.14 -0.04 0.97 -0.52 1j0yB1 VAL 217 HG23 -0.31 0.08 -0.17 -0.04 0.95 0.52 1j0yB1 ASN 218 H -0.24 0.57 -0.09 -0.55 8.53 8.23 1j0yB1 ASN 218 HA -0.06 -0.13 0.36 -0.75 4.76 4.17 1j0yB1 ASN 218 HB2 -0.09 0.14 0.18 -0.04 2.88 3.07 1j0yB1 ASN 218 HB3 -0.05 0.16 0.06 -0.04 2.79 2.92 1j0yB1 ASN 218 HD21 -0.04 0.27 -0.04 -0.04 7.03 7.18 1j0yB1 ASN 218 HD22 -0.06 -0.03 -0.06 -0.04 7.74 7.55 1j0yB1 LYS 219 H -0.18 0.24 -0.40 -0.55 8.42 7.52 1j0yB1 LYS 219 HA -0.05 0.08 0.53 -0.75 4.32 4.13 1j0yB1 LYS 219 HB2 -0.07 0.02 0.11 -0.04 1.87 1.88 1j0yB1 LYS 219 HB3 -0.12 0.08 0.17 -0.04 1.79 1.88 1j0yB1 LYS 219 HG2 -0.03 0.03 -0.16 -0.04 1.46 1.26 1j0yB1 LYS 219 HG3 -0.03 -0.02 0.05 -0.04 1.46 1.41 1j0yB1 LYS 219 HD2 -0.03 -0.03 -0.00 -0.04 1.69 1.58 1j0yB1 LYS 219 HD3 -0.03 0.02 0.00 -0.04 1.68 1.63 1j0yB1 LYS 219 HE2 -0.01 -0.01 -0.00 -0.04 2.99 2.93 1j0yB1 LYS 219 HE3 -0.00 0.02 -0.02 -0.04 2.99 2.94 1j0yB1 ALA 220 H -0.34 0.51 -0.05 -0.55 8.40 7.97 1j0yB1 ALA 220 HA -0.02 0.07 0.51 -0.75 4.34 4.15 1j0yB1 ALA 220 HB3 -0.50 0.00 0.12 -0.04 1.41 0.99 1j0yB1 TRP 221 H -0.06 0.59 -0.12 -0.55 7.97 7.83 1j0yB1 TRP 221 HA 0.02 0.04 0.73 -0.75 4.62 4.66 1j0yB1 TRP 221 HB2 -0.04 0.07 0.01 -0.04 3.23 3.23 1j0yB1 TRP 221 HB3 0.04 -0.08 0.03 -0.04 3.23 3.18 1j0yB1 TRP 221 HD1 0.03 0.07 -0.51 -0.04 7.22 6.76 1j0yB1 TRP 221 HE1 0.31 0.07 -0.16 -0.04 10.20 10.38 1j0yB1 TRP 221 HE3 0.05 -0.03 -0.07 -0.04 7.59 7.49 1j0yB1 TRP 221 HZ2 0.36 0.03 -0.04 -0.04 7.44 7.74 1j0yB1 TRP 221 HZ3 0.13 -0.03 -0.02 -0.04 7.13 7.18 1j0yB1 TRP 221 HH2 0.11 0.02 -0.06 -0.04 7.19 7.22 1j0yB1 GLY 222 H 0.08 0.27 -0.43 -0.55 8.43 7.81 1j0yB1 GLY 222 HA2 0.04 0.10 0.37 -0.51 4.01 4.01 1j0yB1 GLY 222 HA3 0.06 -0.02 0.40 -0.51 4.01 3.94 1j0yB1 THR 223 H 0.09 0.20 0.01 -0.55 8.28 8.03 1j0yB1 THR 223 HA 0.05 0.24 0.88 -0.75 4.39 4.80 1j0yB1 THR 223 HB 0.09 -0.15 0.04 -0.04 4.32 4.26 1j0yB1 THR 223 HG23 0.12 0.06 -0.16 -0.04 1.22 1.21 1j0yB1 LYS 224 H 0.02 0.15 -0.03 -0.55 8.42 8.01 1j0yB1 LYS 224 HA -0.00 0.22 0.75 -0.75 4.32 4.54 1j0yB1 LYS 224 HB2 0.00 -0.03 0.10 -0.04 1.87 1.91 1j0yB1 LYS 224 HB3 -0.00 0.00 0.13 -0.04 1.79 1.88 1j0yB1 LYS 224 HG2 -0.00 0.09 -0.11 -0.04 1.46 1.41 1j0yB1 LYS 224 HG3 0.01 0.00 -0.28 -0.04 1.46 1.14 1j0yB1 LYS 224 HD2 -0.00 -0.03 -0.02 -0.04 1.69 1.60 1j0yB1 LYS 224 HD3 -0.00 -0.01 -0.01 -0.04 1.68 1.61 1j0yB1 LYS 224 HE2 -0.00 -0.02 -0.03 -0.04 2.99 2.90 1j0yB1 LYS 224 HE3 -0.00 0.02 -0.05 -0.04 2.99 2.92 1j0yB1 LEU 225 H 0.01 0.11 -0.21 -0.55 8.37 7.74 1j0yB1 LEU 225 HA 0.01 0.03 0.52 -0.75 4.35 4.15 1j0yB1 LEU 225 HB2 -0.01 0.01 -0.03 -0.04 1.64 1.57 1j0yB1 LEU 225 HB3 0.01 0.06 -0.10 -0.04 1.64 1.57 1j0yB1 LEU 225 HG 0.10 -0.09 -0.06 -0.04 1.64 1.54 1j0yB1 LEU 225 HD13 0.19 0.01 -0.14 -0.04 0.93 0.95 1j0yB1 LEU 225 HD23 0.05 0.02 -0.06 -0.04 0.89 0.85 1j0yB1 ILE 226 H -0.00 0.09 0.20 -0.55 8.25 7.99 1j0yB1 ILE 226 HA -0.01 0.17 0.57 -0.75 4.18 4.15 1j0yB1 ILE 226 HB -0.00 0.08 0.10 -0.04 1.89 2.02 1j0yB1 ILE 226 HG12 -0.00 0.00 -0.02 -0.04 1.49 1.43 1j0yB1 ILE 226 HG13 -0.01 -0.04 -0.25 -0.04 1.21 0.87 1j0yB1 ILE 226 HG23 -0.00 -0.02 0.09 -0.04 0.93 0.96 1j0yB1 ILE 226 HD13 -0.01 0.01 0.05 -0.04 0.88 0.89 1j0yB1 SER 227 H -0.00 0.10 0.08 -0.55 8.46 8.09 1j0yB1 SER 227 HA -0.02 0.29 0.92 -0.75 4.49 4.94 1j0yB1 SER 227 HB2 -0.01 -0.08 0.12 -0.04 3.95 3.94 1j0yB1 SER 227 HB3 -0.01 0.14 -0.07 -0.04 3.93 3.95 1j0yB1 GLU 228 H -0.02 0.25 0.15 -0.55 8.60 8.43 1j0yB1 GLU 228 HA -0.05 0.11 0.45 -0.75 4.29 4.06 1j0yB1 GLU 228 HB2 -0.03 0.04 0.05 -0.04 2.09 2.11 1j0yB1 GLU 228 HB3 -0.05 0.08 0.09 -0.04 1.99 2.06 1j0yB1 GLU 228 HG2 -0.06 -0.03 0.03 -0.04 2.34 2.24 1j0yB1 GLU 228 HG3 -0.04 -0.01 0.12 -0.04 2.34 2.36 1j0yB1 LEU 229 H -0.01 0.00 -0.26 -0.55 8.37 7.56 1j0yB1 LEU 229 HA 0.00 0.17 0.41 -0.75 4.35 4.18 1j0yB1 LEU 229 HB2 0.00 -0.10 0.05 -0.04 1.64 1.55 1j0yB1 LEU 229 HB3 0.01 0.05 -0.11 -0.04 1.64 1.55 1j0yB1 LEU 229 HG 0.01 0.05 0.05 -0.04 1.64 1.71 1j0yB1 LEU 229 HD13 0.00 0.01 -0.03 -0.04 0.93 0.87 1j0yB1 LEU 229 HD23 0.01 0.00 -0.01 -0.04 0.89 0.85 1j0yB1 ALA 230 H 0.01 0.33 -0.74 -0.55 8.40 7.45 1j0yB1 ALA 230 HA 0.03 0.14 0.59 -0.75 4.34 4.34 1j0yB1 ALA 230 HB3 0.02 0.01 0.09 -0.04 1.41 1.48 1j0yB1 ILE 231 H 0.03 0.32 -0.34 -0.55 8.25 7.70 1j0yB1 ILE 231 HA 0.26 0.01 0.55 -0.75 4.18 4.24 1j0yB1 ILE 231 HB -0.03 0.14 0.21 -0.04 1.89 2.17 1j0yB1 ILE 231 HG12 0.05 -0.02 -0.03 -0.04 1.49 1.46 1j0yB1 ILE 231 HG13 -0.02 -0.06 0.06 -0.04 1.21 1.16 1j0yB1 ILE 231 HG23 0.01 -0.01 -0.14 -0.04 0.93 0.76 1j0yB1 ILE 231 HD13 -0.18 -0.02 -0.00 -0.04 0.88 0.64 1j0yB1 LEU 232 H 0.25 0.19 0.16 -0.55 8.37 8.43 1j0yB1 LEU 232 HA 0.19 0.15 0.73 -0.75 4.35 4.66 1j0yB1 LEU 232 HB2 0.05 -0.03 -0.07 -0.04 1.64 1.54 1j0yB1 LEU 232 HB3 0.05 0.07 0.07 -0.04 1.64 1.79 1j0yB1 LEU 232 HG 0.06 -0.05 -0.90 -0.04 1.64 0.71 1j0yB1 LEU 232 HD13 0.03 -0.02 -0.06 -0.04 0.93 0.84 1j0yB1 LEU 232 HD23 0.05 0.01 -0.02 -0.04 0.89 0.90 1j0yB1 PRO 233 HA -0.75 0.08 0.50 -0.51 4.44 3.77 1j0yB1 PRO 233 HB2 -0.63 0.06 -0.15 -0.04 2.28 1.52 1j0yB1 PRO 233 HB3 -0.63 -0.03 0.03 -0.04 2.02 1.36 1j0yB1 PRO 233 HG2 -0.44 0.14 0.02 -0.04 2.03 1.71 1j0yB1 PRO 233 HG3 -0.21 0.02 0.01 -0.04 2.03 1.81 1j0yB1 PRO 233 HD2 -0.04 0.11 0.12 -0.04 3.68 3.83 1j0yB1 PRO 233 HD3 0.03 0.12 0.19 -0.04 3.65 3.95 1j0yB1 PRO 234 HA -0.19 -0.01 0.28 -0.51 4.44 4.02 1j0yB1 PRO 234 HB2 -0.47 -0.04 -0.09 -0.04 2.28 1.63 1j0yB1 PRO 234 HB3 -0.35 -0.00 -0.06 -0.04 2.02 1.56 1j0yB1 PRO 234 HG2 -2.40 0.05 -0.00 -0.04 2.03 -0.36 1j0yB1 PRO 234 HG3 -1.53 0.07 0.02 -0.04 2.03 0.55 1j0yB1 PRO 234 HD2 -1.43 0.07 0.09 -0.04 3.68 2.36 1j0yB1 PRO 234 HD3 -2.41 0.15 0.17 -0.04 3.65 1.52 1j0yB1 SER 235 H -0.07 0.09 0.14 -0.55 8.46 8.08 1j0yB1 SER 235 HA 0.02 0.19 0.54 -0.75 4.49 4.49 1j0yB1 SER 235 HB2 -0.01 0.02 0.07 -0.04 3.95 3.99 1j0yB1 SER 235 HB3 -0.02 0.08 0.11 -0.04 3.93 4.05 1j0yB1 ASP 236 H 0.00 0.09 -0.07 -0.55 8.40 7.87 1j0yB1 ASP 236 HA 0.01 0.24 0.90 -0.75 4.63 5.02 1j0yB1 ASP 236 HB2 0.01 0.12 -0.02 -0.04 2.71 2.78 1j0yB1 ASP 236 HB3 0.04 -0.05 0.18 -0.04 2.70 2.83 1j0yB1 GLY 237 H 0.05 0.29 0.05 -0.55 8.43 8.28 1j0yB1 GLY 237 HA2 0.25 0.08 0.32 -0.51 4.01 4.15 1j0yB1 GLY 237 HA3 0.19 0.11 0.34 -0.51 4.01 4.14 1j0yB1 GLU 238 H 0.08 0.10 -0.12 -0.55 8.60 8.11 1j0yB1 GLU 238 HA 0.09 0.17 0.43 -0.75 4.29 4.23 1j0yB1 GLU 238 HB2 0.05 0.05 0.09 -0.04 2.09 2.24 1j0yB1 GLU 238 HB3 0.05 -0.06 0.06 -0.04 1.99 2.00 1j0yB1 GLU 238 HG2 0.04 0.01 -0.22 -0.04 2.34 2.14 1j0yB1 GLU 238 HG3 0.04 0.04 0.01 -0.04 2.34 2.40 1j0yB1 GLN 239 H 0.08 0.06 -0.17 -0.55 8.47 7.89 1j0yB1 GLN 239 HA 0.06 0.11 0.42 -0.75 4.36 4.20 1j0yB1 GLN 239 HB2 0.05 -0.05 0.13 -0.04 2.15 2.24 1j0yB1 GLN 239 HB3 0.08 0.05 0.05 -0.04 2.02 2.16 1j0yB1 GLN 239 HG2 0.02 0.02 0.03 -0.04 2.40 2.43 1j0yB1 GLN 239 HG3 0.03 -0.01 0.04 -0.04 2.39 2.40 1j0yB1 GLN 239 HE21 0.02 0.04 0.00 -0.04 6.97 6.99 1j0yB1 GLN 239 HE22 0.01 -0.00 0.03 -0.04 7.69 7.69 1j0yB1 PHE 240 H 0.24 0.48 -0.21 -0.55 8.34 8.29 1j0yB1 PHE 240 HA 0.05 -0.10 0.47 -0.75 4.62 4.29 1j0yB1 PHE 240 HB2 -0.03 -0.04 0.06 -0.04 3.15 3.10 1j0yB1 PHE 240 HB3 0.08 0.17 0.11 -0.04 3.06 3.39 1j0yB1 PHE 240 HD2 0.08 0.02 -0.13 -0.04 7.28 7.22 1j0yB1 PHE 240 HE2 -0.09 0.02 -0.12 -0.04 7.38 7.15 1j0yB1 PHE 240 HZ -0.08 0.17 0.04 -0.04 7.32 7.40 1j0yB1 LEU 241 H 0.24 0.45 -0.14 -0.55 8.37 8.37 1j0yB1 LEU 241 HA 0.02 0.06 0.47 -0.75 4.35 4.14 1j0yB1 LEU 241 HB2 0.09 0.03 0.16 -0.04 1.64 1.88 1j0yB1 LEU 241 HB3 -0.00 0.01 0.04 -0.04 1.64 1.65 1j0yB1 LEU 241 HG 0.38 0.04 0.06 -0.04 1.64 2.08 1j0yB1 LEU 241 HD13 -0.00 -0.03 0.02 -0.04 0.93 0.88 1j0yB1 LEU 241 HD23 0.12 -0.00 -0.07 -0.04 0.89 0.89 1j0yB1 MET 242 H 0.09 0.19 -0.33 -0.55 8.47 7.87 1j0yB1 MET 242 HA 0.08 0.40 0.72 -0.75 4.52 4.96 1j0yB1 MET 242 HB2 0.05 -0.05 0.26 -0.04 2.15 2.37 1j0yB1 MET 242 HB3 0.04 -0.05 0.02 -0.04 2.03 2.00 1j0yB1 MET 242 HG2 0.03 0.07 -0.07 -0.04 2.63 2.62 1j0yB1 MET 242 HG3 0.04 0.10 -0.03 -0.04 2.56 2.64 1j0yB1 MET 242 HE3 0.02 0.00 -0.01 -0.04 2.10 2.07 1j0yB1 ASN 243 H 0.03 0.18 0.17 -0.55 8.53 8.36 1j0yB1 ASN 243 HA -0.19 0.20 0.55 -0.75 4.76 4.57 1j0yB1 ASN 243 HB2 -0.11 -0.03 0.11 -0.04 2.88 2.81 1j0yB1 ASN 243 HB3 -0.04 0.15 -0.10 -0.04 2.79 2.76 1j0yB1 ASN 243 HD21 -0.02 -0.05 -0.03 -0.04 7.03 6.89 1j0yB1 ASN 243 HD22 -0.03 0.03 -0.03 -0.04 7.74 7.67 1j0yB1 GLY 244 H -0.07 0.26 0.31 -0.55 8.43 8.38 1j0yB1 GLY 244 HA2 -0.10 0.04 0.46 -0.51 4.01 3.89 1j0yB1 GLY 244 HA3 -0.10 -0.04 0.40 -0.51 4.01 3.76 1j0yB1 TYR 245 H -0.36 0.57 -0.08 -0.55 8.29 7.87 1j0yB1 TYR 245 HA -0.73 -0.06 0.32 -0.75 4.56 3.33 1j0yB1 TYR 245 HB2 -0.24 -0.03 0.02 -0.04 3.06 2.77 1j0yB1 TYR 245 HB3 -0.64 0.06 0.04 -0.04 2.98 2.40 1j0yB1 TYR 245 HD2 -0.15 -0.01 -0.23 -0.04 7.15 6.71 1j0yB1 TYR 245 HE2 -0.05 0.12 -0.19 -0.04 6.85 6.68 1j0yB1 LEU 246 H -0.67 0.33 -0.63 -0.55 8.37 6.84 1j0yB1 LEU 246 HA -0.34 0.08 0.48 -0.75 4.35 3.82 1j0yB1 LEU 246 HB2 -0.34 0.20 0.09 -0.04 1.64 1.54 1j0yB1 LEU 246 HB3 -0.25 -0.06 0.07 -0.04 1.64 1.36 1j0yB1 LEU 246 HG -1.52 -0.06 -0.06 -0.04 1.64 -0.04 1j0yB1 LEU 246 HD13 -0.26 0.00 0.09 -0.04 0.93 0.72 1j0yB1 LEU 246 HD23 -0.30 -0.00 -0.00 -0.04 0.89 0.54 1j0yB1 SER 247 H -0.17 0.41 -0.13 -0.55 8.46 8.02 1j0yB1 SER 247 HA -0.04 0.17 0.66 -0.75 4.49 4.53 1j0yB1 SER 247 HB2 -0.01 -0.03 0.20 -0.04 3.95 4.06 1j0yB1 SER 247 HB3 -0.05 0.08 0.16 -0.04 3.93 4.08 1j0yB1 MET 248 H 0.04 0.24 0.21 -0.55 8.47 8.41 1j0yB1 MET 248 HA 0.12 0.11 0.40 -0.75 4.52 4.39 1j0yB1 MET 248 HB2 0.16 0.07 0.21 -0.04 2.15 2.54 1j0yB1 MET 248 HB3 0.28 -0.01 0.11 -0.04 2.03 2.36 1j0yB1 MET 248 HG2 0.32 0.20 0.01 -0.04 2.63 3.11 1j0yB1 MET 248 HG3 0.51 -0.10 -0.11 -0.04 2.56 2.82 1j0yB1 MET 248 HE3 0.29 -0.03 0.01 -0.04 2.10 2.32 1j0yB1 TYR 249 H -0.17 0.13 -0.07 -0.55 8.29 7.63 1j0yB1 TYR 249 HA -1.55 0.08 0.40 -0.75 4.56 2.74 1j0yB1 TYR 249 HB2 -1.31 0.04 0.09 -0.04 3.06 1.84 1j0yB1 TYR 249 HB3 -0.44 -0.02 0.09 -0.04 2.98 2.56 1j0yB1 TYR 249 HD2 -1.10 0.00 -0.06 -0.04 7.15 5.95 1j0yB1 TYR 249 HE2 -0.08 0.05 -0.03 -0.04 6.85 6.76 1j0yB1 GLY 250 H -0.03 0.09 -0.38 -0.55 8.43 7.56 1j0yB1 GLY 250 HA2 0.15 -0.06 0.34 -0.51 4.01 3.92 1j0yB1 GLY 250 HA3 -0.01 0.22 0.25 -0.51 4.01 3.96 1j0yB1 LYS 251 H 0.03 0.58 -0.12 -0.55 8.42 8.35 1j0yB1 LYS 251 HA 0.10 0.04 0.43 -0.75 4.32 4.14 1j0yB1 LYS 251 HB2 0.13 0.05 0.11 -0.04 1.87 2.13 1j0yB1 LYS 251 HB3 0.12 -0.06 -0.01 -0.04 1.79 1.80 1j0yB1 LYS 251 HG2 0.06 -0.03 0.02 -0.04 1.46 1.46 1j0yB1 LYS 251 HG3 0.03 0.25 -0.06 -0.04 1.46 1.64 1j0yB1 LYS 251 HD2 0.08 -0.05 -0.08 -0.04 1.69 1.59 1j0yB1 LYS 251 HD3 0.08 -0.06 -0.02 -0.04 1.68 1.63 1j0yB1 LYS 251 HE2 0.03 -0.05 -0.01 -0.04 2.99 2.92 1j0yB1 LYS 251 HE3 -0.00 0.19 -0.08 -0.04 2.99 3.05 1j0yB1 ASP 252 H 0.16 0.51 -0.25 -0.55 8.40 8.27 1j0yB1 ASP 252 HA 0.45 0.04 0.49 -0.75 4.63 4.86 1j0yB1 ASP 252 HB2 0.47 0.12 0.17 -0.04 2.71 3.43 1j0yB1 ASP 252 HB3 0.95 -0.06 -0.04 -0.04 2.70 3.51 1j0yB1 TYR 253 H -0.03 0.63 -0.04 -0.55 8.29 8.29 1j0yB1 TYR 253 HA -0.35 0.01 0.41 -0.75 4.56 3.87 1j0yB1 TYR 253 HB2 -0.92 0.06 0.11 -0.04 3.06 2.26 1j0yB1 TYR 253 HB3 -0.50 0.09 0.16 -0.04 2.98 2.68 1j0yB1 TYR 253 HD2 -1.38 0.06 -0.08 -0.04 7.15 5.70 1j0yB1 TYR 253 HE2 -1.23 0.01 -0.05 -0.04 6.85 5.53 1j0yB1 LEU 254 H 0.08 0.66 -0.13 -0.55 8.37 8.44 1j0yB1 LEU 254 HA -0.06 -0.02 0.40 -0.75 4.35 3.91 1j0yB1 LEU 254 HB2 0.12 0.17 0.09 -0.04 1.64 1.98 1j0yB1 LEU 254 HB3 0.11 -0.08 -0.03 -0.04 1.64 1.61 1j0yB1 LEU 254 HG 0.44 0.04 0.05 -0.04 1.64 2.12 1j0yB1 LEU 254 HD13 0.20 0.01 -0.04 -0.04 0.93 1.05 1j0yB1 LEU 254 HD23 0.34 -0.03 -0.07 -0.04 0.89 1.09 1j0yB1 GLU 255 H 0.04 0.44 -0.35 -0.55 8.60 8.17 1j0yB1 GLU 255 HA 0.03 -0.00 0.50 -0.75 4.29 4.06 1j0yB1 GLU 255 HB2 0.14 0.15 0.15 -0.04 2.09 2.50 1j0yB1 GLU 255 HB3 0.19 0.08 0.17 -0.04 1.99 2.39 1j0yB1 GLU 255 HG2 0.22 -0.04 -0.12 -0.04 2.34 2.35 1j0yB1 GLU 255 HG3 0.11 -0.04 0.04 -0.04 2.34 2.41 1j0yB1 TRP 256 H -0.25 0.60 -0.08 -0.55 7.97 7.70 1j0yB1 TRP 256 HA -0.82 0.02 0.41 -0.75 4.62 3.48 1j0yB1 TRP 256 HB2 -1.94 0.02 0.10 -0.04 3.23 1.37 1j0yB1 TRP 256 HB3 -0.72 0.13 0.20 -0.04 3.23 2.81 1j0yB1 TRP 256 HD1 -1.46 0.01 -0.01 -0.04 7.22 5.73 1j0yB1 TRP 256 HE1 -0.03 0.01 -0.19 -0.04 10.20 9.95 1j0yB1 TRP 256 HE3 -0.89 0.12 -0.04 -0.04 7.59 6.74 1j0yB1 TRP 256 HZ2 -0.02 -0.06 -0.06 -0.04 7.44 7.25 1j0yB1 TRP 256 HZ3 -0.24 -0.05 -0.04 -0.04 7.13 6.77 1j0yB1 TRP 256 HH2 -0.01 -0.08 0.00 -0.04 7.19 7.06 1j0yB1 TYR 257 H -0.21 0.73 -0.04 -0.55 8.29 8.21 1j0yB1 TYR 257 HA -0.84 -0.03 0.38 -0.75 4.56 3.32 1j0yB1 TYR 257 HB2 -0.88 0.11 0.08 -0.04 3.06 2.33 1j0yB1 TYR 257 HB3 -0.32 0.05 0.10 -0.04 2.98 2.77 1j0yB1 TYR 257 HD2 -0.21 0.03 -0.06 -0.04 7.15 6.88 1j0yB1 TYR 257 HE2 -0.27 0.01 -0.13 -0.04 6.85 6.42 1j0yB1 GLN 258 H -0.06 0.62 -0.12 -0.55 8.47 8.36 1j0yB1 GLN 258 HA -0.06 0.10 0.64 -0.75 4.36 4.28 1j0yB1 GLN 258 HB2 0.05 -0.02 0.17 -0.04 2.15 2.31 1j0yB1 GLN 258 HB3 0.03 0.08 0.17 -0.04 2.02 2.25 1j0yB1 GLN 258 HG2 0.08 -0.03 -0.15 -0.04 2.40 2.25 1j0yB1 GLN 258 HG3 0.08 0.11 0.17 -0.04 2.39 2.72 1j0yB1 GLN 258 HE21 0.11 0.32 0.17 -0.04 6.97 7.53 1j0yB1 GLN 258 HE22 0.16 0.02 -0.07 -0.04 7.69 7.77 1j0yB1 GLY 259 H -0.16 0.55 -0.23 -0.55 8.43 8.04 1j0yB1 GLY 259 HA2 -0.01 -0.05 0.37 -0.51 4.01 3.81 1j0yB1 GLY 259 HA3 -0.12 0.14 0.34 -0.51 4.01 3.86 1j0yB1 ILE 260 H -0.47 0.46 -0.32 -0.55 8.25 7.36 1j0yB1 ILE 260 HA -0.23 0.00 0.34 -0.75 4.18 3.53 1j0yB1 ILE 260 HB -0.38 0.14 0.07 -0.04 1.89 1.68 1j0yB1 ILE 260 HG12 -1.21 0.34 0.08 -0.04 1.49 0.66 1j0yB1 ILE 260 HG13 -0.88 -0.10 -0.01 -0.04 1.21 0.18 1j0yB1 ILE 260 HG23 -0.23 -0.02 -0.18 -0.04 0.93 0.46 1j0yB1 ILE 260 HD13 -0.45 -0.03 -0.04 -0.04 0.88 0.32 1j0yB1 LEU 261 H -0.20 0.38 -0.19 -0.55 8.37 7.81 1j0yB1 LEU 261 HA -0.12 0.01 0.41 -0.75 4.35 3.90 1j0yB1 LEU 261 HB2 -0.03 0.18 0.16 -0.04 1.64 1.90 1j0yB1 LEU 261 HB3 -0.00 -0.03 0.00 -0.04 1.64 1.58 1j0yB1 LEU 261 HG -0.31 0.06 0.09 -0.04 1.64 1.44 1j0yB1 LEU 261 HD13 -0.04 0.04 -0.00 -0.04 0.93 0.89 1j0yB1 LEU 261 HD23 -0.52 -0.03 -0.11 -0.04 0.89 0.19 1j0yB1 GLU 262 H -0.04 0.42 -0.15 -0.55 8.60 8.28 1j0yB1 GLU 262 HA -0.03 0.04 0.44 -0.75 4.29 3.99 1j0yB1 GLU 262 HB2 -0.01 0.14 0.15 -0.04 2.09 2.34 1j0yB1 GLU 262 HB3 -0.03 -0.02 0.03 -0.04 1.99 1.92 1j0yB1 GLU 262 HG2 0.03 0.01 0.04 -0.04 2.34 2.38 1j0yB1 GLU 262 HG3 0.04 0.06 -0.00 -0.04 2.34 2.40 1j0yB1 ASN 263 H -0.04 0.54 -0.11 -0.55 8.53 8.37 1j0yB1 ASN 263 HA -0.01 0.04 0.47 -0.75 4.76 4.50 1j0yB1 ASN 263 HB2 -0.03 0.14 0.14 -0.04 2.88 3.09 1j0yB1 ASN 263 HB3 0.00 -0.06 0.01 -0.04 2.79 2.70 1j0yB1 ASN 263 HD21 0.05 -0.04 -0.06 -0.04 7.03 6.94 1j0yB1 ASN 263 HD22 -0.01 -0.03 -0.05 -0.04 7.74 7.61 1j0yB1 HIS 264 H 0.04 0.50 -0.17 -0.55 8.41 8.23 1j0yB1 HIS 264 HA -0.08 -0.03 0.45 -0.75 4.63 4.22 1j0yB1 HIS 264 HB2 -0.11 0.06 0.16 -0.04 3.26 3.33 1j0yB1 HIS 264 HB3 -0.10 0.18 0.20 -0.04 3.20 3.45 1j0yB1 HIS 264 HD2 -0.02 0.08 0.02 -0.04 6.97 7.00 1j0yB1 HIS 264 HE1 -0.23 -0.07 -0.05 -0.04 7.75 7.36 1j0yB1 THR 265 H -0.05 0.58 -0.16 -0.55 8.28 8.10 1j0yB1 THR 265 HA -0.24 -0.03 0.32 -0.75 4.39 3.68 1j0yB1 THR 265 HB -0.20 0.17 0.09 -0.04 4.32 4.34 1j0yB1 THR 265 HG23 -0.64 -0.01 -0.24 -0.04 1.22 0.29 1j0yB1 LYS 266 H -0.09 0.40 -0.26 -0.55 8.42 7.92 1j0yB1 LYS 266 HA -0.06 0.07 0.45 -0.75 4.32 4.03 1j0yB1 LYS 266 HB2 -0.03 0.08 0.19 -0.04 1.87 2.07 1j0yB1 LYS 266 HB3 -0.02 -0.06 0.03 -0.04 1.79 1.70 1j0yB1 LYS 266 HG2 -0.04 0.01 0.01 -0.04 1.46 1.41 1j0yB1 LYS 266 HG3 -0.06 0.13 0.10 -0.04 1.46 1.59 1j0yB1 LYS 266 HD2 -0.01 -0.04 -0.02 -0.04 1.69 1.57 1j0yB1 LYS 266 HD3 -0.01 -0.03 -0.01 -0.04 1.68 1.59 1j0yB1 LYS 266 HE2 -0.02 0.01 -0.01 -0.04 2.99 2.93 1j0yB1 LYS 266 HE3 -0.04 -0.01 -0.01 -0.04 2.99 2.90 1j0yB1 LEU 267 H -0.08 0.52 -0.17 -0.55 8.37 8.09 1j0yB1 LEU 267 HA -0.03 0.01 0.44 -0.75 4.35 4.02 1j0yB1 LEU 267 HB2 -0.04 0.02 0.11 -0.04 1.64 1.69 1j0yB1 LEU 267 HB3 -0.11 0.08 0.20 -0.04 1.64 1.77 1j0yB1 LEU 267 HG -0.10 -0.02 -0.25 -0.04 1.64 1.23 1j0yB1 LEU 267 HD13 -0.03 -0.02 0.03 -0.04 0.93 0.87 1j0yB1 LEU 267 HD23 -0.06 -0.02 -0.01 -0.04 0.89 0.76 1j0yB1 ILE 268 H -0.20 0.65 0.02 -0.55 8.25 8.18 1j0yB1 ILE 268 HA 0.05 -0.03 0.37 -0.75 4.18 3.81 1j0yB1 ILE 268 HB 0.17 -0.06 0.00 -0.04 1.89 1.96 1j0yB1 ILE 268 HG12 -0.26 0.21 0.07 -0.04 1.49 1.47 1j0yB1 ILE 268 HG13 -0.08 0.09 -0.13 -0.04 1.21 1.05 1j0yB1 ILE 268 HG23 -0.18 0.01 -0.00 -0.04 0.93 0.71 1j0yB1 ILE 268 HD13 -0.07 -0.03 -0.17 -0.04 0.88 0.57 1j0yB1 GLY 269 H -0.05 0.51 -0.30 -0.55 8.43 8.05 1j0yB1 GLY 269 HA2 0.00 -0.01 0.33 -0.51 4.01 3.82 1j0yB1 GLY 269 HA3 0.04 0.21 0.31 -0.51 4.01 4.06 1j0yB1 GLU 270 H 0.03 0.50 -0.12 -0.55 8.60 8.47 1j0yB1 GLU 270 HA 0.10 0.04 0.43 -0.75 4.29 4.10 1j0yB1 GLU 270 HB2 0.02 0.08 0.17 -0.04 2.09 2.32 1j0yB1 GLU 270 HB3 0.02 0.11 0.22 -0.04 1.99 2.29 1j0yB1 GLU 270 HG2 0.02 -0.05 -0.23 -0.04 2.34 2.05 1j0yB1 GLU 270 HG3 0.02 -0.02 0.03 -0.04 2.34 2.34 1j0yB1 LEU 271 H 0.05 0.57 -0.06 -0.55 8.37 8.39 1j0yB1 LEU 271 HA 0.04 -0.01 0.44 -0.75 4.35 4.05 1j0yB1 LEU 271 HB2 0.13 0.09 0.09 -0.04 1.64 1.91 1j0yB1 LEU 271 HB3 0.02 -0.06 -0.06 -0.04 1.64 1.49 1j0yB1 LEU 271 HG -0.01 0.20 0.06 -0.04 1.64 1.85 1j0yB1 LEU 271 HD13 -0.11 -0.06 -0.13 -0.04 0.93 0.59 1j0yB1 LEU 271 HD23 -0.03 -0.03 0.04 -0.04 0.89 0.84 1j0yB1 ALA 272 H 0.13 0.67 -0.19 -0.55 8.40 8.47 1j0yB1 ALA 272 HA -0.13 -0.03 0.51 -0.75 4.34 3.93 1j0yB1 ALA 272 HB3 -0.08 0.02 0.05 -0.04 1.41 1.37 1j0yB1 HIS 273 H 0.06 0.71 0.01 -0.55 8.41 8.65 1j0yB1 HIS 273 HA 0.08 0.00 0.52 -0.75 4.63 4.48 1j0yB1 HIS 273 HB2 0.02 0.11 0.23 -0.04 3.26 3.58 1j0yB1 HIS 273 HB3 0.03 -0.08 0.07 -0.04 3.20 3.16 1j0yB1 HIS 273 HD2 0.01 0.06 -0.03 -0.04 6.97 6.97 1j0yB1 HIS 273 HE1 0.02 -0.03 0.12 -0.04 7.75 7.82 1j0yB1 ASN 274 H 0.07 0.58 -0.14 -0.55 8.53 8.50 1j0yB1 ASN 274 HA 0.03 -0.00 0.35 -0.75 4.76 4.39 1j0yB1 ASN 274 HB2 -0.00 0.09 0.13 -0.04 2.88 3.06 1j0yB1 ASN 274 HB3 -0.00 -0.08 0.05 -0.04 2.79 2.71 1j0yB1 ASN 274 HD21 0.01 -0.06 -0.03 -0.04 7.03 6.91 1j0yB1 ASN 274 HD22 0.01 -0.06 -0.02 -0.04 7.74 7.63 1j0yB1 ALA 275 H -0.15 0.35 -0.32 -0.55 8.40 7.73 1j0yB1 ALA 275 HA -0.16 0.04 0.52 -0.75 4.34 3.98 1j0yB1 ALA 275 HB3 -0.58 0.00 -0.02 -0.04 1.41 0.78 1j0yB1 PHE 276 H -0.10 0.54 -0.08 -0.55 8.34 8.16 1j0yB1 PHE 276 HA 0.23 0.18 1.09 -0.75 4.62 5.36 1j0yB1 PHE 276 HB2 -0.01 0.13 0.02 -0.04 3.15 3.25 1j0yB1 PHE 276 HB3 0.16 -0.07 0.01 -0.04 3.06 3.12 1j0yB1 PHE 276 HD2 0.05 0.05 -0.06 -0.04 7.28 7.28 1j0yB1 PHE 276 HE2 -0.23 -0.06 -0.04 -0.04 7.38 7.01 1j0yB1 PHE 276 HZ -0.23 -0.11 0.01 -0.04 7.32 6.95 1j0yB1 ASP 277 H 0.16 0.64 0.17 -0.55 8.40 8.83 1j0yB1 ASP 277 HA 0.17 -0.01 0.42 -0.75 4.63 4.46 1j0yB1 ASP 277 HB2 0.10 0.13 0.19 -0.04 2.71 3.09 1j0yB1 ASP 277 HB3 0.09 -0.03 0.00 -0.04 2.70 2.72 1j0yB1 THR 278 H 0.05 0.16 -0.12 -0.55 8.28 7.81 1j0yB1 THR 278 HA 0.01 0.10 0.40 -0.75 4.39 4.15 1j0yB1 THR 278 HB -0.02 -0.00 0.02 -0.04 4.32 4.28 1j0yB1 THR 278 HG23 0.01 -0.00 0.02 -0.04 1.22 1.20 1j0yB1 THR 279 H -0.01 0.06 -0.21 -0.55 8.28 7.57 1j0yB1 THR 279 HA -0.20 0.05 0.43 -0.75 4.39 3.91 1j0yB1 THR 279 HB -0.51 0.04 0.11 -0.04 4.32 3.91 1j0yB1 THR 279 HG23 -0.57 -0.00 -0.00 -0.04 1.22 0.61 1j0yB1 PHE 280 H 0.14 0.53 0.08 -0.55 8.34 8.54 1j0yB1 PHE 280 HA 0.01 0.21 0.92 -0.75 4.62 5.01 1j0yB1 PHE 280 HB2 0.03 -0.02 0.03 -0.04 3.15 3.16 1j0yB1 PHE 280 HB3 -0.02 0.06 -0.06 -0.04 3.06 3.00 1j0yB1 PHE 280 HD2 0.13 0.07 0.06 -0.04 7.28 7.50 1j0yB1 PHE 280 HE2 0.12 -0.02 -0.08 -0.04 7.38 7.36 1j0yB1 PHE 280 HZ -0.05 -0.04 -0.20 -0.04 7.32 6.99 1j0yB1 GLN 281 H 0.16 0.22 0.05 -0.55 8.47 8.35 1j0yB1 GLN 281 HA 0.09 -0.00 0.35 -0.75 4.36 4.05 1j0yB1 GLN 281 HB2 0.05 0.16 -0.01 -0.04 2.15 2.31 1j0yB1 GLN 281 HB3 0.04 -0.11 0.16 -0.04 2.02 2.07 1j0yB1 GLN 281 HG2 0.03 -0.05 0.02 -0.04 2.40 2.36 1j0yB1 GLN 281 HG3 0.03 0.02 -0.39 -0.04 2.39 2.01 1j0yB1 GLN 281 HE21 -0.01 -0.13 -0.06 -0.04 6.97 6.73 1j0yB1 GLN 281 HE22 -0.01 0.13 -0.29 -0.04 7.69 7.48 1j0yB1 VAL 282 H 0.10 0.00 -0.18 -0.55 8.24 7.62 1j0yB1 VAL 282 HA 0.03 0.27 0.92 -0.75 4.13 4.59 1j0yB1 VAL 282 HB -0.06 0.14 -0.11 -0.04 2.12 2.06 1j0yB1 VAL 282 HG13 0.05 0.08 -0.27 -0.04 0.97 0.79 1j0yB1 VAL 282 HG23 -0.10 -0.06 -0.29 -0.04 0.95 0.46 1j0yB1 PRO 283 HA 0.01 0.08 0.60 -0.51 4.44 4.62 1j0yB1 PRO 283 HB2 -0.06 -0.04 -0.03 -0.04 2.28 2.10 1j0yB1 PRO 283 HB3 -0.01 0.03 0.10 -0.04 2.02 2.10 1j0yB1 PRO 283 HG2 -0.08 0.01 0.15 -0.04 2.03 2.07 1j0yB1 PRO 283 HG3 -0.02 0.04 0.08 -0.04 2.03 2.09 1j0yB1 PRO 283 HD2 -0.02 0.29 0.30 -0.04 3.68 4.22 1j0yB1 PRO 283 HD3 0.00 0.12 0.11 -0.04 3.65 3.84 1j0yB1 ILE 284 H -0.02 0.26 0.27 -0.55 8.25 8.21 1j0yB1 ILE 284 HA -0.22 0.30 1.02 -0.75 4.18 4.53 1j0yB1 ILE 284 HB -0.24 0.09 0.16 -0.04 1.89 1.87 1j0yB1 ILE 284 HG12 -0.20 -0.00 -0.15 -0.04 1.49 1.09 1j0yB1 ILE 284 HG13 -0.12 0.11 -0.18 -0.04 1.21 0.98 1j0yB1 ILE 284 HG23 -0.19 -0.02 -0.08 -0.04 0.93 0.60 1j0yB1 ILE 284 HD13 -0.37 -0.03 -0.15 -0.04 0.88 0.29 1j0yB1 GLY 285 H -0.16 0.52 0.37 -0.55 8.43 8.62 1j0yB1 GLY 285 HA2 0.10 0.19 0.99 -0.51 4.01 4.78 1j0yB1 GLY 285 HA3 0.08 -0.01 0.24 -0.51 4.01 3.82 1j0yB1 ALA 286 H 0.30 0.71 0.34 -0.55 8.40 9.20 1j0yB1 ALA 286 HA 0.17 0.16 0.73 -0.75 4.34 4.65 1j0yB1 ALA 286 HB3 0.23 0.00 -0.02 -0.04 1.41 1.58 1j0yB1 LYS 287 H 0.12 0.22 0.24 -0.55 8.42 8.45 1j0yB1 LYS 287 HA 0.09 0.20 1.13 -0.75 4.32 4.99 1j0yB1 LYS 287 HB2 -0.00 0.14 0.04 -0.04 1.87 2.01 1j0yB1 LYS 287 HB3 0.01 0.01 -0.21 -0.04 1.79 1.55 1j0yB1 LYS 287 HG2 -0.16 -0.03 -0.20 -0.04 1.46 1.03 1j0yB1 LYS 287 HG3 -0.15 0.02 -0.25 -0.04 1.46 1.04 1j0yB1 LYS 287 HD2 -0.16 -0.04 -0.10 -0.04 1.69 1.35 1j0yB1 LYS 287 HD3 -0.16 0.10 -0.07 -0.04 1.68 1.52 1j0yB1 LYS 287 HE2 -1.31 0.02 -0.24 -0.04 2.99 1.41 1j0yB1 LYS 287 HE3 -0.62 -0.03 -0.20 -0.04 2.99 2.10 1j0yB1 ILE 288 H 0.11 0.73 0.34 -0.55 8.25 8.87 1j0yB1 ILE 288 HA 0.22 0.12 0.82 -0.75 4.18 4.58 1j0yB1 ILE 288 HB 0.16 0.06 0.15 -0.04 1.89 2.22 1j0yB1 ILE 288 HG12 0.10 0.05 -0.00 -0.04 1.49 1.59 1j0yB1 ILE 288 HG13 -0.09 -0.02 -0.20 -0.04 1.21 0.86 1j0yB1 ILE 288 HG23 -0.01 0.00 -0.10 -0.04 0.93 0.78 1j0yB1 ILE 288 HD13 -0.35 -0.00 -0.07 -0.04 0.88 0.42 1j0yB1 ALA 289 H 0.38 0.19 0.02 -0.55 8.40 8.44 1j0yB1 ALA 289 HA 0.05 0.08 0.47 -0.75 4.34 4.20 1j0yB1 ALA 289 HB3 0.30 0.01 -0.09 -0.04 1.41 1.60 1j0yB1 GLY 290 H -0.03 0.14 0.02 -0.55 8.43 8.02 1j0yB1 GLY 290 HA2 -0.06 0.23 0.74 -0.51 4.01 4.41 1j0yB1 GLY 290 HA3 -0.19 -0.01 0.29 -0.51 4.01 3.59 1j0yB1 VAL 291 H 0.17 0.38 -0.16 -0.55 8.24 8.07 1j0yB1 VAL 291 HA -0.81 0.07 0.63 -0.75 4.13 3.27 1j0yB1 VAL 291 HB -0.03 0.03 0.11 -0.04 2.12 2.18 1j0yB1 VAL 291 HG13 -1.07 0.05 -0.28 -0.04 0.97 -0.37 1j0yB1 VAL 291 HG23 0.07 0.03 -0.17 -0.04 0.95 0.84 1j0yB1 HIS 292 H -0.08 0.32 -0.17 -0.55 8.41 7.93 1j0yB1 HIS 292 HA 0.12 0.20 0.50 -0.75 4.63 4.70 1j0yB1 HIS 292 HB2 0.11 -0.21 -0.14 -0.04 3.26 2.99 1j0yB1 HIS 292 HB3 0.09 0.06 -0.10 -0.04 3.20 3.20 1j0yB1 HIS 292 HD2 0.17 0.21 0.04 -0.04 6.97 7.34 1j0yB1 HIS 292 HE1 0.04 0.01 -0.04 -0.04 7.75 7.72 1j0yB1 TRP 293 H -0.16 0.07 -0.14 -0.55 7.97 7.19 1j0yB1 TRP 293 HA 0.14 0.06 0.58 -0.75 4.62 4.64 1j0yB1 TRP 293 HB2 -0.07 0.24 0.12 -0.04 3.23 3.48 1j0yB1 TRP 293 HB3 0.16 -0.11 0.06 -0.04 3.23 3.30 1j0yB1 TRP 293 HD1 -0.10 0.35 -0.41 -0.04 7.22 7.02 1j0yB1 TRP 293 HE1 -0.11 0.30 -0.21 -0.04 10.20 10.14 1j0yB1 TRP 293 HE3 -0.98 -0.12 0.05 -0.04 7.59 6.51 1j0yB1 TRP 293 HZ2 -0.98 0.07 -0.08 -0.04 7.44 6.41 1j0yB1 TRP 293 HZ3 -0.37 0.10 0.10 -0.04 7.13 6.92 1j0yB1 TRP 293 HH2 -0.97 0.02 -0.03 -0.04 7.19 6.17 1j0yB1 GLN 294 H 0.30 0.70 0.24 -0.55 8.47 9.16 1j0yB1 GLN 294 HA 0.17 0.01 0.27 -0.75 4.36 4.06 1j0yB1 GLN 294 HB2 -0.04 0.09 -0.10 -0.04 2.15 2.06 1j0yB1 GLN 294 HB3 -0.01 -0.09 0.21 -0.04 2.02 2.09 1j0yB1 GLN 294 HG2 0.30 0.17 -0.33 -0.04 2.40 2.50 1j0yB1 GLN 294 HG3 0.10 -0.06 -0.25 -0.04 2.39 2.15 1j0yB1 GLN 294 HE21 0.13 0.22 0.10 -0.04 6.97 7.39 1j0yB1 GLN 294 HE22 0.11 0.58 0.11 -0.04 7.69 8.44 1j0yB1 TYR 295 H 0.26 0.44 -0.13 -0.55 8.29 8.31 1j0yB1 TYR 295 HA -0.05 0.03 0.47 -0.75 4.56 4.25 1j0yB1 TYR 295 HB2 0.11 0.16 0.12 -0.04 3.06 3.40 1j0yB1 TYR 295 HB3 0.10 -0.07 0.19 -0.04 2.98 3.16 1j0yB1 TYR 295 HD2 0.13 0.02 -0.10 -0.04 7.15 7.15 1j0yB1 TYR 295 HE2 0.15 0.01 -0.04 -0.04 6.85 6.93 1j0yB1 ASN 296 H 0.23 0.15 -0.06 -0.55 8.53 8.30 1j0yB1 ASN 296 HA -0.17 0.32 0.91 -0.75 4.76 5.06 1j0yB1 ASN 296 HB2 0.09 0.07 0.11 -0.04 2.88 3.10 1j0yB1 ASN 296 HB3 0.27 -0.02 -0.06 -0.04 2.79 2.94 1j0yB1 ASN 296 HD21 0.24 0.28 0.13 -0.04 7.03 7.63 1j0yB1 ASN 296 HD22 0.16 0.03 0.05 -0.04 7.74 7.95 1j0yB1 ASN 297 H -0.26 0.22 -0.50 -0.55 8.53 7.44 1j0yB1 ASN 297 HA -1.39 0.08 0.47 -0.75 4.76 3.17 1j0yB1 ASN 297 HB2 -0.33 -0.05 -0.01 -0.04 2.88 2.45 1j0yB1 ASN 297 HB3 -0.24 0.27 -0.11 -0.04 2.79 2.66 1j0yB1 ASN 297 HD21 0.04 -0.01 0.00 -0.04 7.03 7.02 1j0yB1 ASN 297 HD22 0.03 0.06 -0.01 -0.04 7.74 7.78 1j0yB1 PRO 298 HA -0.10 0.15 0.44 -0.51 4.44 4.41 1j0yB1 PRO 298 HB2 -0.03 0.04 -0.01 -0.04 2.28 2.24 1j0yB1 PRO 298 HB3 -0.04 0.05 0.10 -0.04 2.02 2.09 1j0yB1 PRO 298 HG2 -0.07 -0.07 0.10 -0.04 2.03 1.95 1j0yB1 PRO 298 HG3 -0.00 0.04 0.08 -0.04 2.03 2.11 1j0yB1 PRO 298 HD2 -0.63 -0.01 0.23 -0.04 3.68 3.22 1j0yB1 PRO 298 HD3 -0.28 0.27 0.23 -0.04 3.65 3.82 1j0yB1 THR 299 H -0.11 -0.02 -0.17 -0.55 8.28 7.43 1j0yB1 THR 299 HA -0.01 0.23 0.75 -0.75 4.39 4.61 1j0yB1 THR 299 HB 0.00 0.02 0.02 -0.04 4.32 4.32 1j0yB1 THR 299 HG23 -0.00 -0.01 -0.04 -0.04 1.22 1.14 1j0yB1 ILE 300 H -0.09 -0.08 -0.23 -0.55 8.25 7.30 1j0yB1 ILE 300 HA -0.05 0.48 0.78 -0.75 4.18 4.64 1j0yB1 ILE 300 HB -0.04 0.01 0.05 -0.04 1.89 1.87 1j0yB1 ILE 300 HG12 -0.02 -0.09 0.01 -0.04 1.49 1.35 1j0yB1 ILE 300 HG13 -0.06 -0.04 0.15 -0.04 1.21 1.22 1j0yB1 ILE 300 HG23 0.02 -0.03 -0.22 -0.04 0.93 0.65 1j0yB1 ILE 300 HD13 0.01 -0.01 0.03 -0.04 0.88 0.88 1j0yB1 PRO 301 HA -0.30 -0.04 0.50 -0.51 4.44 4.08 1j0yB1 PRO 301 HB2 -0.20 -0.02 0.01 -0.04 2.28 2.02 1j0yB1 PRO 301 HB3 -0.19 0.05 0.07 -0.04 2.02 1.92 1j0yB1 PRO 301 HG2 -0.32 -0.01 0.07 -0.04 2.03 1.72 1j0yB1 PRO 301 HG3 -0.04 0.02 0.03 -0.04 2.03 2.00 1j0yB1 PRO 301 HD2 -0.09 0.34 0.04 -0.04 3.68 3.93 1j0yB1 PRO 301 HD3 -0.07 0.18 -0.37 -0.04 3.65 3.34 1j0yB1 HIS 302 H -0.53 0.34 0.39 -0.55 8.41 8.07 1j0yB1 HIS 302 HA -0.14 -0.03 0.42 -0.75 4.63 4.12 1j0yB1 HIS 302 HB2 -0.18 0.17 0.10 -0.04 3.26 3.32 1j0yB1 HIS 302 HB3 -0.12 -0.14 0.28 -0.04 3.20 3.17 1j0yB1 HIS 302 HD2 -0.20 0.05 -0.13 -0.04 6.97 6.65 1j0yB1 HIS 302 HE1 -1.35 -0.08 0.02 -0.04 7.75 6.30 1j0yB1 GLY 303 H -0.11 0.42 -0.03 -0.55 8.43 8.17 1j0yB1 GLY 303 HA2 -0.07 0.08 0.25 -0.51 4.01 3.77 1j0yB1 GLY 303 HA3 -0.05 0.04 0.29 -0.51 4.01 3.78 1j0yB1 ALA 304 H -0.14 0.05 -0.45 -0.55 8.40 7.31 1j0yB1 ALA 304 HA -0.13 0.01 0.89 -0.75 4.34 4.35 1j0yB1 ALA 304 HB3 -0.65 0.08 -0.09 -0.04 1.41 0.71 1j0yB1 GLU 305 H -0.12 0.07 -0.06 -0.55 8.60 7.95 1j0yB1 GLU 305 HA -0.05 -0.01 0.41 -0.75 4.29 3.89 1j0yB1 GLU 305 HB2 0.06 0.06 0.24 -0.04 2.09 2.40 1j0yB1 GLU 305 HB3 0.10 0.17 0.08 -0.04 1.99 2.31 1j0yB1 GLU 305 HG2 0.34 -0.09 0.08 -0.04 2.34 2.63 1j0yB1 GLU 305 HG3 0.02 0.09 0.11 -0.04 2.34 2.52 1j0yB1 LYS 306 H -0.03 0.52 0.03 -0.55 8.42 8.38 1j0yB1 LYS 306 HA 0.06 -0.01 0.09 -0.75 4.32 3.71 1j0yB1 LYS 306 HB2 0.03 0.08 0.00 -0.04 1.87 1.94 1j0yB1 LYS 306 HB3 0.22 -0.08 -0.09 -0.04 1.79 1.79 1j0yB1 LYS 306 HG2 0.00 -0.06 -0.00 -0.04 1.46 1.36 1j0yB1 LYS 306 HG3 -0.01 0.15 0.16 -0.04 1.46 1.71 1j0yB1 LYS 306 HD2 -0.10 0.06 -0.03 -0.04 1.69 1.58 1j0yB1 LYS 306 HD3 0.00 -0.10 -0.03 -0.04 1.68 1.51 1j0yB1 LYS 306 HE2 -0.11 -0.05 0.03 -0.04 2.99 2.81 1j0yB1 LYS 306 HE3 -0.10 0.10 0.00 -0.04 2.99 2.95 1j0yB1 PRO 307 HA -0.70 0.01 0.32 -0.51 4.44 3.57 1j0yB1 PRO 307 HB2 -0.21 0.05 -0.23 -0.04 2.28 1.84 1j0yB1 PRO 307 HB3 -0.62 -0.09 -0.59 -0.04 2.02 0.67 1j0yB1 PRO 307 HG2 -0.28 0.23 -0.08 -0.04 2.03 1.86 1j0yB1 PRO 307 HG3 -0.86 -0.03 -0.18 -0.04 2.03 0.92 1j0yB1 PRO 307 HD2 -0.17 0.13 -0.71 -0.04 3.68 2.90 1j0yB1 PRO 307 HD3 -0.16 0.13 -0.19 -0.04 3.65 3.39 1j0yB1 ALA 308 H -0.10 0.42 -0.48 -0.55 8.40 7.70 1j0yB1 ALA 308 HA -0.01 0.01 0.61 -0.75 4.34 4.20 1j0yB1 ALA 308 HB3 -0.16 0.02 0.13 -0.04 1.41 1.36 1j0yB1 GLY 309 H 0.05 0.37 -0.51 -0.55 8.43 7.80 1j0yB1 GLY 309 HA2 0.07 0.03 0.17 -0.51 4.01 3.77 1j0yB1 GLY 309 HA3 -0.02 0.13 0.76 -0.51 4.01 4.37 1j0yB1 TYR 310 H -0.11 0.49 -0.08 -0.55 8.29 8.04 1j0yB1 TYR 310 HA -0.17 0.10 0.71 -0.75 4.56 4.45 1j0yB1 TYR 310 HB2 -0.10 -0.03 0.08 -0.04 3.06 2.97 1j0yB1 TYR 310 HB3 -0.67 -0.05 -0.05 -0.04 2.98 2.17 1j0yB1 TYR 310 HD2 0.10 -0.01 -0.19 -0.04 7.15 7.01 1j0yB1 TYR 310 HE2 0.15 0.06 0.00 -0.04 6.85 7.02 1j0yB1 ASN 311 H -0.02 0.19 0.09 -0.55 8.53 8.25 1j0yB1 ASN 311 HA -0.09 0.21 0.80 -0.75 4.76 4.92 1j0yB1 ASN 311 HB2 0.08 0.01 -0.08 -0.04 2.88 2.84 1j0yB1 ASN 311 HB3 0.04 0.03 0.03 -0.04 2.79 2.85 1j0yB1 ASN 311 HD21 0.04 0.03 -0.00 -0.04 7.03 7.06 1j0yB1 ASN 311 HD22 -0.01 0.01 0.07 -0.04 7.74 7.77 1j0yB1 ASP 312 H -0.09 0.10 0.00 -0.55 8.40 7.87 1j0yB1 ASP 312 HA -0.06 0.19 0.78 -0.75 4.63 4.79 1j0yB1 ASP 312 HB2 -0.01 0.14 -0.18 -0.04 2.71 2.61 1j0yB1 ASP 312 HB3 0.04 -0.01 0.15 -0.04 2.70 2.84 1j0yB1 TYR 313 H -0.04 0.28 -0.00 -0.55 8.29 7.97 1j0yB1 TYR 313 HA -0.02 0.08 0.37 -0.75 4.56 4.24 1j0yB1 TYR 313 HB2 -0.05 0.03 0.05 -0.04 3.06 3.04 1j0yB1 TYR 313 HB3 -0.11 0.08 -0.02 -0.04 2.98 2.89 1j0yB1 TYR 313 HD2 -0.14 0.02 -0.03 -0.04 7.15 6.96 1j0yB1 TYR 313 HE2 -0.29 0.04 -0.04 -0.04 6.85 6.52 1j0yB1 SER 314 H 0.12 0.09 -0.17 -0.55 8.46 7.95 1j0yB1 SER 314 HA 0.07 0.15 0.39 -0.75 4.49 4.35 1j0yB1 SER 314 HB2 0.07 0.04 0.08 -0.04 3.95 4.09 1j0yB1 SER 314 HB3 0.09 -0.06 0.06 -0.04 3.93 3.99 1j0yB1 HIS 315 H 0.18 0.07 -0.22 -0.55 8.41 7.90 1j0yB1 HIS 315 HA 0.05 0.10 0.36 -0.75 4.63 4.39 1j0yB1 HIS 315 HB2 0.04 -0.06 0.10 -0.04 3.26 3.31 1j0yB1 HIS 315 HB3 0.04 0.08 0.06 -0.04 3.20 3.33 1j0yB1 HIS 315 HD2 0.05 0.00 -0.07 -0.04 6.97 6.91 1j0yB1 HIS 315 HE1 0.06 0.02 -0.01 -0.04 7.75 7.78 1j0yB1 LEU 316 H 0.14 0.38 -0.14 -0.55 8.37 8.20 1j0yB1 LEU 316 HA 0.11 0.03 0.40 -0.75 4.35 4.13 1j0yB1 LEU 316 HB2 0.11 -0.02 0.08 -0.04 1.64 1.77 1j0yB1 LEU 316 HB3 0.12 0.06 0.12 -0.04 1.64 1.89 1j0yB1 LEU 316 HG 0.31 0.02 -0.19 -0.04 1.64 1.74 1j0yB1 LEU 316 HD13 0.20 0.01 -0.02 -0.04 0.93 1.07 1j0yB1 LEU 316 HD23 0.12 -0.00 -0.05 -0.04 0.89 0.92 1j0yB1 LEU 317 H 0.09 0.56 -0.20 -0.55 8.37 8.27 1j0yB1 LEU 317 HA 0.12 0.01 0.42 -0.75 4.35 4.14 1j0yB1 LEU 317 HB2 0.03 0.12 0.12 -0.04 1.64 1.86 1j0yB1 LEU 317 HB3 -0.01 0.02 -0.03 -0.04 1.64 1.58 1j0yB1 LEU 317 HG -0.03 0.09 0.05 -0.04 1.64 1.70 1j0yB1 LEU 317 HD13 -0.10 -0.02 -0.10 -0.04 0.93 0.67 1j0yB1 LEU 317 HD23 -0.28 -0.01 -0.04 -0.04 0.89 0.51 1j0yB1 ASP 318 H 0.05 0.37 -0.28 -0.55 8.40 7.99 1j0yB1 ASP 318 HA 0.03 0.06 0.42 -0.75 4.63 4.40 1j0yB1 ASP 318 HB2 -0.10 0.21 0.17 -0.04 2.71 2.95 1j0yB1 ASP 318 HB3 -0.04 -0.05 0.05 -0.04 2.70 2.62 1j0yB1 ALA 319 H 0.06 0.35 -0.41 -0.55 8.40 7.86 1j0yB1 ALA 319 HA -0.02 0.02 0.44 -0.75 4.34 4.02 1j0yB1 ALA 319 HB3 -0.02 0.07 0.13 -0.04 1.41 1.55 1j0yB1 PHE 320 H 0.37 0.29 -0.15 -0.55 8.34 8.29 1j0yB1 PHE 320 HA 0.02 0.01 0.42 -0.75 4.62 4.32 1j0yB1 PHE 320 HB2 0.01 0.13 0.13 -0.04 3.15 3.38 1j0yB1 PHE 320 HB3 0.02 0.20 -0.06 -0.04 3.06 3.18 1j0yB1 PHE 320 HD2 0.03 0.17 -0.12 -0.04 7.28 7.32 1j0yB1 PHE 320 HE2 0.06 -0.05 -0.14 -0.04 7.38 7.20 1j0yB1 PHE 320 HZ 0.07 -0.04 -0.18 -0.04 7.32 7.13 1j0yB1 LYS 321 H 0.14 0.35 -0.26 -0.55 8.42 8.09 1j0yB1 LYS 321 HA 0.08 0.09 0.43 -0.75 4.32 4.17 1j0yB1 LYS 321 HB2 0.05 0.01 0.07 -0.04 1.87 1.97 1j0yB1 LYS 321 HB3 0.04 0.09 0.19 -0.04 1.79 2.07 1j0yB1 LYS 321 HG2 0.02 -0.05 -0.15 -0.04 1.46 1.24 1j0yB1 LYS 321 HG3 0.03 0.01 0.01 -0.04 1.46 1.47 1j0yB1 LYS 321 HD2 0.02 0.01 -0.01 -0.04 1.69 1.68 1j0yB1 LYS 321 HD3 0.02 -0.11 0.03 -0.04 1.68 1.58 1j0yB1 LYS 321 HE2 0.01 0.14 0.11 -0.04 2.99 3.21 1j0yB1 LYS 321 HE3 0.01 -0.13 0.01 -0.04 2.99 2.85 1j0yB1 SER 322 H 0.03 0.50 -0.00 -0.55 8.46 8.43 1j0yB1 SER 322 HA 0.00 0.05 0.41 -0.75 4.49 4.19 1j0yB1 SER 322 HB2 -0.01 -0.06 0.05 -0.04 3.95 3.89 1j0yB1 SER 322 HB3 -0.00 -0.00 0.13 -0.04 3.93 4.01 1j0yB1 ALA 323 H -0.00 0.49 -0.28 -0.55 8.40 8.06 1j0yB1 ALA 323 HA 0.01 0.01 0.46 -0.75 4.34 4.06 1j0yB1 ALA 323 HB3 -0.05 -0.04 0.01 -0.04 1.41 1.28 1j0yB1 LYS 324 H 0.04 0.28 -0.88 -0.55 8.42 7.31 1j0yB1 LYS 324 HA 0.06 0.10 0.32 -0.75 4.32 4.04 1j0yB1 LYS 324 HB2 -0.15 0.07 0.14 -0.04 1.87 1.88 1j0yB1 LYS 324 HB3 -0.03 -0.08 0.18 -0.04 1.79 1.81 1j0yB1 LYS 324 HG2 -0.08 0.12 -0.25 -0.04 1.46 1.21 1j0yB1 LYS 324 HG3 -0.16 -0.12 -0.02 -0.04 1.46 1.13 1j0yB1 LYS 324 HD2 -0.03 -0.11 0.04 -0.04 1.69 1.55 1j0yB1 LYS 324 HD3 0.00 0.32 0.14 -0.04 1.68 2.10 1j0yB1 LYS 324 HE2 -0.02 0.19 0.12 -0.04 2.99 3.23 1j0yB1 LYS 324 HE3 -0.04 -0.14 0.03 -0.04 2.99 2.81 1j0yB1 LEU 325 H 0.13 0.67 0.05 -0.55 8.37 8.67 1j0yB1 LEU 325 HA 0.12 0.32 1.01 -0.75 4.35 5.04 1j0yB1 LEU 325 HB2 0.12 -0.10 0.00 -0.04 1.64 1.63 1j0yB1 LEU 325 HB3 0.14 -0.06 -0.05 -0.04 1.64 1.64 1j0yB1 LEU 325 HG 0.05 0.11 -0.43 -0.04 1.64 1.33 1j0yB1 LEU 325 HD13 -0.15 -0.05 -0.12 -0.04 0.93 0.57 1j0yB1 LEU 325 HD23 -0.02 0.02 -0.17 -0.04 0.89 0.68 1j0yB1 ASP 326 H 0.08 0.63 0.44 -0.55 8.40 9.01 1j0yB1 ASP 326 HA 0.08 0.09 0.65 -0.75 4.63 4.69 1j0yB1 ASP 326 HB2 0.03 -0.09 -0.09 -0.04 2.71 2.52 1j0yB1 ASP 326 HB3 0.06 0.07 -0.07 -0.04 2.70 2.71 1j0yB1 VAL 327 H 0.02 0.57 0.26 -0.55 8.24 8.54 1j0yB1 VAL 327 HA 0.07 0.27 1.11 -0.75 4.13 4.83 1j0yB1 VAL 327 HB -0.46 0.02 -0.07 -0.04 2.12 1.57 1j0yB1 VAL 327 HG13 -0.15 0.00 -0.04 -0.04 0.97 0.73 1j0yB1 VAL 327 HG23 -0.35 -0.03 -0.10 -0.04 0.95 0.43 1j0yB1 THR 328 H 0.09 0.45 0.39 -0.55 8.28 8.66 1j0yB1 THR 328 HA 0.16 0.27 0.93 -0.75 4.39 4.99 1j0yB1 THR 328 HB 0.01 -0.04 -0.05 -0.04 4.32 4.20 1j0yB1 THR 328 HG23 -0.01 -0.03 -0.33 -0.04 1.22 0.81 1j0yB1 PHE 329 H 0.29 0.67 0.37 -0.55 8.34 9.12 1j0yB1 PHE 329 HA 0.02 0.27 0.93 -0.75 4.62 5.08 1j0yB1 PHE 329 HB2 0.01 0.03 -0.08 -0.04 3.15 3.07 1j0yB1 PHE 329 HB3 0.16 0.01 0.03 -0.04 3.06 3.22 1j0yB1 PHE 329 HD2 -0.02 0.05 0.01 -0.04 7.28 7.28 1j0yB1 PHE 329 HE2 -0.09 0.01 -0.13 -0.04 7.38 7.13 1j0yB1 PHE 329 HZ -0.10 -0.10 -0.09 -0.04 7.32 7.00 1j0yB1 THR 330 H -1.17 0.17 0.12 -0.55 8.28 6.85 1j0yB1 THR 330 HA -0.07 0.29 1.04 -0.75 4.39 4.90 1j0yB1 THR 330 HB -0.12 0.11 -0.20 -0.04 4.32 4.08 1j0yB1 THR 330 HG23 -0.25 0.04 -0.02 -0.04 1.22 0.95 1j0yB1 CYS 331 H -0.05 0.14 0.17 -0.55 8.50 8.21 1j0yB1 CYS 331 HA -0.06 -0.18 0.43 -0.75 4.58 4.02 1j0yB1 CYS 331 HB2 -0.09 0.38 0.23 -0.04 2.97 3.45 1j0yB1 CYS 331 HB3 -0.11 -0.09 0.21 -0.04 2.97 2.93 1j0yB1 LEU 332 H 0.01 0.32 -0.09 -0.55 8.37 8.06 1j0yB1 LEU 332 HA -0.07 0.15 0.23 -0.75 4.35 3.91 1j0yB1 LEU 332 HB2 -0.01 -0.07 -0.10 -0.04 1.64 1.42 1j0yB1 LEU 332 HB3 -0.22 0.08 0.05 -0.04 1.64 1.51 1j0yB1 LEU 332 HG 0.03 -0.04 -0.08 -0.04 1.64 1.50 1j0yB1 LEU 332 HD13 -0.84 0.03 -0.10 -0.04 0.93 -0.01 1j0yB1 LEU 332 HD23 0.05 -0.00 -0.22 -0.04 0.89 0.67 1j0yB1 GLU 333 H -0.01 -0.14 -0.38 -0.55 8.60 7.51 1j0yB1 GLU 333 HA -0.06 0.25 0.65 -0.75 4.29 4.37 1j0yB1 GLU 333 HB2 -0.02 0.06 0.13 -0.04 2.09 2.22 1j0yB1 GLU 333 HB3 0.03 -0.05 0.03 -0.04 1.99 1.96 1j0yB1 GLU 333 HG2 -0.03 0.04 -0.25 -0.04 2.34 2.06 1j0yB1 GLU 333 HG3 -0.00 0.07 -0.04 -0.04 2.34 2.33 1j0yB1 MET 334 H -0.07 0.44 -0.26 -0.55 8.47 8.03 1j0yB1 MET 334 HA -0.07 0.17 0.81 -0.75 4.52 4.68 1j0yB1 MET 334 HB2 -0.14 0.09 0.04 -0.04 2.15 2.09 1j0yB1 MET 334 HB3 -0.15 0.02 0.06 -0.04 2.03 1.92 1j0yB1 MET 334 HG2 -0.10 0.06 -0.06 -0.04 2.63 2.48 1j0yB1 MET 334 HG3 -0.09 -0.18 -0.05 -0.04 2.56 2.19 1j0yB1 MET 334 HE3 -0.08 -0.01 -0.01 -0.04 2.10 1.96 1j0yB1 THR 335 H -0.06 0.16 0.18 -0.55 8.28 8.01 1j0yB1 THR 335 HA -0.03 0.19 0.92 -0.75 4.39 4.72 1j0yB1 THR 335 HB -0.01 0.08 0.06 -0.04 4.32 4.41 1j0yB1 THR 335 HG23 -0.02 0.02 -0.10 -0.04 1.22 1.09 1j0yB1 ASP 336 H -0.02 0.17 0.16 -0.55 8.40 8.17 1j0yB1 ASP 336 HA -0.01 -0.03 0.51 -0.75 4.63 4.34 1j0yB1 ASP 336 HB2 0.00 0.09 0.10 -0.04 2.71 2.85 1j0yB1 ASP 336 HB3 0.01 0.10 -0.05 -0.04 2.70 2.71 1j0yB1 LYS 337 H 0.04 0.52 0.39 -0.55 8.42 8.82 1j0yB1 LYS 337 HA 0.02 0.22 0.83 -0.75 4.32 4.64 1j0yB1 LYS 337 HB2 0.06 -0.24 0.30 -0.04 1.87 1.95 1j0yB1 LYS 337 HB3 0.02 0.02 0.12 -0.04 1.79 1.91 1j0yB1 LYS 337 HG2 0.04 0.06 -0.03 -0.04 1.46 1.49 1j0yB1 LYS 337 HG3 0.05 -0.05 0.03 -0.04 1.46 1.45 1j0yB1 LYS 337 HD2 0.01 -0.02 0.00 -0.04 1.69 1.64 1j0yB1 LYS 337 HD3 0.01 0.27 -0.28 -0.04 1.68 1.65 1j0yB1 LYS 337 HE2 -0.01 0.13 -0.06 -0.04 2.99 3.01 1j0yB1 LYS 337 HE3 0.01 -0.06 -0.02 -0.04 2.99 2.88 1j0yB1 GLY 338 H 0.09 0.34 0.22 -0.55 8.43 8.53 1j0yB1 GLY 338 HA2 0.18 -0.10 0.10 -0.51 4.01 3.68 1j0yB1 GLY 338 HA3 0.12 0.15 0.36 -0.51 4.01 4.12 1j0yB1 SER 339 H -0.01 -0.03 -0.20 -0.55 8.46 7.67 1j0yB1 SER 339 HA -0.06 0.27 0.93 -0.75 4.49 4.87 1j0yB1 SER 339 HB2 -0.03 0.07 0.06 -0.04 3.95 4.01 1j0yB1 SER 339 HB3 -0.00 0.13 -0.10 -0.04 3.93 3.91 1j0yB1 TYR 340 H -0.15 0.20 0.14 -0.55 8.29 7.93 1j0yB1 TYR 340 HA -0.96 0.02 0.36 -0.75 4.56 3.23 1j0yB1 TYR 340 HB2 -0.17 0.04 0.12 -0.04 3.06 3.01 1j0yB1 TYR 340 HB3 -0.14 0.02 0.13 -0.04 2.98 2.95 1j0yB1 TYR 340 HD2 0.04 -0.01 -0.11 -0.04 7.15 7.03 1j0yB1 TYR 340 HE2 0.02 0.01 -0.02 -0.04 6.85 6.81 1j0yB1 PRO 341 HA -0.92 0.03 0.38 -0.51 4.44 3.42 1j0yB1 PRO 341 HB2 -0.47 0.07 0.03 -0.04 2.28 1.86 1j0yB1 PRO 341 HB3 -1.38 0.04 0.08 -0.04 2.02 0.72 1j0yB1 PRO 341 HG2 -0.32 0.02 0.03 -0.04 2.03 1.71 1j0yB1 PRO 341 HG3 -0.34 0.06 0.07 -0.04 2.03 1.77 1j0yB1 PRO 341 HD2 -0.25 0.06 0.31 -0.04 3.68 3.75 1j0yB1 PRO 341 HD3 -0.34 0.14 0.22 -0.04 3.65 3.63 1j0yB1 GLU 342 H -0.27 0.22 0.03 -0.55 8.60 8.03 1j0yB1 GLU 342 HA -0.11 0.23 0.51 -0.75 4.29 4.17 1j0yB1 GLU 342 HB2 0.00 -0.06 0.07 -0.04 2.09 2.06 1j0yB1 GLU 342 HB3 -0.00 -0.05 0.06 -0.04 1.99 1.96 1j0yB1 GLU 342 HG2 -0.10 0.00 0.02 -0.04 2.34 2.22 1j0yB1 GLU 342 HG3 -0.26 0.03 -0.00 -0.04 2.34 2.07 1j0yB1 TYR 343 H -0.26 0.70 -0.09 -0.55 8.29 8.09 1j0yB1 TYR 343 HA 0.09 0.02 0.01 -0.75 4.56 3.92 1j0yB1 TYR 343 HB2 0.07 0.08 -0.25 -0.04 3.06 2.92 1j0yB1 TYR 343 HB3 0.09 -0.20 -0.13 -0.04 2.98 2.70 1j0yB1 TYR 343 HD2 0.06 0.15 -0.32 -0.04 7.15 6.99 1j0yB1 TYR 343 HE2 0.14 0.07 -0.03 -0.04 6.85 6.99 1j0yB1 SER 344 H 0.15 0.07 -0.08 -0.55 8.46 8.05 1j0yB1 SER 344 HA 0.36 0.39 0.70 -0.75 4.49 5.18 1j0yB1 SER 344 HB2 0.40 0.05 -0.05 -0.04 3.95 4.31 1j0yB1 SER 344 HB3 0.20 -0.06 0.15 -0.04 3.93 4.19 1j0yB1 MET 345 H 0.18 0.64 0.24 -0.55 8.47 8.98 1j0yB1 MET 345 HA -0.03 0.05 0.91 -0.75 4.52 4.70 1j0yB1 MET 345 HB2 -0.68 0.10 0.19 -0.04 2.15 1.72 1j0yB1 MET 345 HB3 -0.37 -0.03 0.13 -0.04 2.03 1.72 1j0yB1 MET 345 HG2 0.14 -0.13 -0.51 -0.04 2.63 2.09 1j0yB1 MET 345 HG3 0.18 0.10 -0.09 -0.04 2.56 2.71 1j0yB1 MET 345 HE3 0.04 0.03 -0.04 -0.04 2.10 2.09 1j0yB1 PRO 346 HA 0.01 0.10 0.44 -0.51 4.44 4.48 1j0yB1 PRO 346 HB2 -0.15 0.18 -0.07 -0.04 2.28 2.19 1j0yB1 PRO 346 HB3 -0.39 -0.03 0.02 -0.04 2.02 1.59 1j0yB1 PRO 346 HG2 -0.10 -0.02 -0.41 -0.04 2.03 1.46 1j0yB1 PRO 346 HG3 -0.23 0.06 -0.08 -0.04 2.03 1.73 1j0yB1 PRO 346 HD2 -0.02 0.15 -0.15 -0.04 3.68 3.62 1j0yB1 PRO 346 HD3 0.03 0.02 -0.24 -0.04 3.65 3.42 1j0yB1 LYS 347 H -0.07 0.08 -0.22 -0.55 8.42 7.65 1j0yB1 LYS 347 HA -0.06 0.19 0.42 -0.75 4.32 4.12 1j0yB1 LYS 347 HB2 -0.04 0.20 0.17 -0.04 1.87 2.16 1j0yB1 LYS 347 HB3 -0.04 -0.14 0.08 -0.04 1.79 1.66 1j0yB1 LYS 347 HG2 -0.03 -0.00 -0.19 -0.04 1.46 1.19 1j0yB1 LYS 347 HG3 -0.06 0.07 0.06 -0.04 1.46 1.49 1j0yB1 LYS 347 HD2 -0.01 0.07 0.05 -0.04 1.69 1.76 1j0yB1 LYS 347 HD3 0.01 -0.07 0.01 -0.04 1.68 1.59 1j0yB1 LYS 347 HE2 0.07 -0.00 -0.05 -0.04 2.99 2.97 1j0yB1 LYS 347 HE3 0.04 0.05 -0.03 -0.04 2.99 3.01 1j0yB1 THR 348 H -0.11 0.00 -0.29 -0.55 8.28 7.34 1j0yB1 THR 348 HA -0.06 0.13 0.40 -0.75 4.39 4.10 1j0yB1 THR 348 HB -0.29 0.02 0.04 -0.04 4.32 4.05 1j0yB1 THR 348 HG23 0.01 0.02 -0.13 -0.04 1.22 1.07 1j0yB1 LEU 349 H -0.19 0.32 -0.20 -0.55 8.37 7.76 1j0yB1 LEU 349 HA -0.03 0.03 0.37 -0.75 4.35 3.97 1j0yB1 LEU 349 HB2 -0.07 0.16 0.19 -0.04 1.64 1.88 1j0yB1 LEU 349 HB3 0.14 0.07 0.08 -0.04 1.64 1.89 1j0yB1 LEU 349 HG 0.26 0.03 -0.02 -0.04 1.64 1.87 1j0yB1 LEU 349 HD13 0.31 -0.03 -0.19 -0.04 0.93 0.99 1j0yB1 LEU 349 HD23 -0.09 0.00 -0.03 -0.04 0.89 0.73 1j0yB1 VAL 350 H 0.03 0.57 -0.10 -0.55 8.24 8.20 1j0yB1 VAL 350 HA 0.03 -0.02 0.35 -0.75 4.13 3.74 1j0yB1 VAL 350 HB -0.03 0.09 0.11 -0.04 2.12 2.25 1j0yB1 VAL 350 HG13 0.12 -0.01 -0.14 -0.04 0.97 0.90 1j0yB1 VAL 350 HG23 0.21 0.08 -0.04 -0.04 0.95 1.16 1j0yB1 GLN 351 H -0.14 0.55 -0.16 -0.55 8.47 8.17 1j0yB1 GLN 351 HA -0.49 0.05 0.36 -0.75 4.36 3.54 1j0yB1 GLN 351 HB2 -0.08 0.07 0.15 -0.04 2.15 2.25 1j0yB1 GLN 351 HB3 -0.04 -0.02 0.01 -0.04 2.02 1.93 1j0yB1 GLN 351 HG2 -0.54 0.00 0.02 -0.04 2.40 1.84 1j0yB1 GLN 351 HG3 -0.19 0.29 0.10 -0.04 2.39 2.56 1j0yB1 GLN 351 HE21 0.04 -0.04 -0.06 -0.04 6.97 6.86 1j0yB1 GLN 351 HE22 -0.01 0.00 -0.02 -0.04 7.69 7.63 1j0yB1 ASN 352 H -0.10 0.46 -0.27 -0.55 8.53 8.08 1j0yB1 ASN 352 HA -0.02 0.08 0.62 -0.75 4.76 4.68 1j0yB1 ASN 352 HB2 -0.06 0.10 0.16 -0.04 2.88 3.05 1j0yB1 ASN 352 HB3 -0.04 -0.08 -0.01 -0.04 2.79 2.61 1j0yB1 ASN 352 HD21 0.06 -0.00 -0.01 -0.04 7.03 7.03 1j0yB1 ASN 352 HD22 0.03 -0.03 0.03 -0.04 7.74 7.73 1j0yB1 ILE 353 H -0.33 0.57 0.03 -0.55 8.25 7.96 1j0yB1 ILE 353 HA -0.35 -0.02 0.46 -0.75 4.18 3.51 1j0yB1 ILE 353 HB -0.86 0.08 0.15 -0.04 1.89 1.22 1j0yB1 ILE 353 HG12 -0.80 0.13 0.04 -0.04 1.49 0.82 1j0yB1 ILE 353 HG13 -1.68 -0.03 -0.04 -0.04 1.21 -0.58 1j0yB1 ILE 353 HG23 -0.71 -0.00 -0.16 -0.04 0.93 0.02 1j0yB1 ILE 353 HD13 -0.93 -0.02 -0.03 -0.04 0.88 -0.13 1j0yB1 ALA 354 H -0.20 0.62 -0.05 -0.55 8.40 8.22 1j0yB1 ALA 354 HA -0.20 0.01 0.35 -0.75 4.34 3.75 1j0yB1 ALA 354 HB3 0.05 0.05 0.06 -0.04 1.41 1.54 1j0yB1 THR 355 H -0.01 0.37 -0.28 -0.55 8.28 7.81 1j0yB1 THR 355 HA 0.07 0.08 0.44 -0.75 4.39 4.23 1j0yB1 THR 355 HB 0.02 0.03 0.19 -0.04 4.32 4.52 1j0yB1 THR 355 HG23 0.05 -0.02 -0.06 -0.04 1.22 1.14 1j0yB1 LEU 356 H -0.06 0.47 -0.18 -0.55 8.37 8.05 1j0yB1 LEU 356 HA -0.01 -0.01 0.35 -0.75 4.35 3.93 1j0yB1 LEU 356 HB2 -0.10 0.14 0.20 -0.04 1.64 1.84 1j0yB1 LEU 356 HB3 -0.03 -0.06 -0.04 -0.04 1.64 1.46 1j0yB1 LEU 356 HG -0.03 0.21 0.10 -0.04 1.64 1.89 1j0yB1 LEU 356 HD13 -0.00 -0.05 -0.14 -0.04 0.93 0.69 1j0yB1 LEU 356 HD23 0.02 -0.02 -0.00 -0.04 0.89 0.85 1j0yB1 ALA 357 H -0.11 0.70 -0.05 -0.55 8.40 8.40 1j0yB1 ALA 357 HA -0.07 -0.04 0.39 -0.75 4.34 3.86 1j0yB1 ALA 357 HB3 -0.15 0.04 0.06 -0.04 1.41 1.32 1j0yB1 ASN 358 H -0.06 0.62 -0.16 -0.55 8.53 8.38 1j0yB1 ASN 358 HA -0.04 0.04 0.39 -0.75 4.76 4.40 1j0yB1 ASN 358 HB2 0.00 0.06 0.19 -0.04 2.88 3.09 1j0yB1 ASN 358 HB3 -0.00 -0.06 0.01 -0.04 2.79 2.70 1j0yB1 ASN 358 HD21 -0.01 0.51 0.07 -0.04 7.03 7.56 1j0yB1 ASN 358 HD22 0.05 -0.17 -0.14 -0.04 7.74 7.44 1j0yB1 GLU 359 H -0.01 0.55 -0.08 -0.55 8.60 8.52 1j0yB1 GLU 359 HA 0.01 0.07 0.51 -0.75 4.29 4.12 1j0yB1 GLU 359 HB2 0.02 -0.08 0.11 -0.04 2.09 2.09 1j0yB1 GLU 359 HB3 0.02 0.01 0.11 -0.04 1.99 2.09 1j0yB1 GLU 359 HG2 0.00 0.12 0.18 -0.04 2.34 2.60 1j0yB1 GLU 359 HG3 0.01 0.02 -0.18 -0.04 2.34 2.15 1j0yB1 LYS 360 H -0.01 0.39 -0.33 -0.55 8.42 7.92 1j0yB1 LYS 360 HA 0.01 0.07 0.72 -0.75 4.32 4.37 1j0yB1 LYS 360 HB2 -0.01 0.05 0.08 -0.04 1.87 1.96 1j0yB1 LYS 360 HB3 0.01 -0.07 0.05 -0.04 1.79 1.74 1j0yB1 LYS 360 HG2 0.02 -0.07 -0.03 -0.04 1.46 1.34 1j0yB1 LYS 360 HG3 0.01 0.12 -0.02 -0.04 1.46 1.53 1j0yB1 LYS 360 HD2 -0.01 0.00 -0.18 -0.04 1.69 1.47 1j0yB1 LYS 360 HD3 0.02 -0.06 -0.16 -0.04 1.68 1.44 1j0yB1 LYS 360 HE2 0.01 -0.01 -0.03 -0.04 2.99 2.92 1j0yB1 LYS 360 HE3 0.03 -0.05 0.05 -0.04 2.99 2.98 1j0yB1 GLY 361 H -0.01 0.32 -0.22 -0.55 8.43 7.97 1j0yB1 GLY 361 HA2 -0.00 0.05 0.27 -0.51 4.01 3.81 1j0yB1 GLY 361 HA3 0.00 0.05 0.56 -0.51 4.01 4.11 1j0yB1 ILE 362 H -0.02 0.57 0.06 -0.55 8.25 8.31 1j0yB1 ILE 362 HA 0.01 0.14 0.73 -0.75 4.18 4.30 1j0yB1 ILE 362 HB -0.05 -0.09 0.08 -0.04 1.89 1.78 1j0yB1 ILE 362 HG12 0.03 0.07 -0.17 -0.04 1.49 1.38 1j0yB1 ILE 362 HG13 0.00 -0.01 -0.23 -0.04 1.21 0.93 1j0yB1 ILE 362 HG23 -0.01 0.03 -0.09 -0.04 0.93 0.82 1j0yB1 ILE 362 HD13 0.02 -0.03 -0.06 -0.04 0.88 0.76 1j0yB1 VAL 363 H 0.01 0.16 0.13 -0.55 8.24 8.00 1j0yB1 VAL 363 HA -0.02 0.08 0.45 -0.75 4.13 3.89 1j0yB1 VAL 363 HB 0.02 -0.06 0.13 -0.04 2.12 2.17 1j0yB1 VAL 363 HG13 0.03 -0.00 -0.15 -0.04 0.97 0.81 1j0yB1 VAL 363 HG23 0.01 0.03 0.03 -0.04 0.95 0.98 1j0yB1 LEU 364 H -0.07 0.21 0.27 -0.55 8.37 8.24 1j0yB1 LEU 364 HA -0.07 0.24 0.96 -0.75 4.35 4.73 1j0yB1 LEU 364 HB2 -0.25 0.11 -0.01 -0.04 1.64 1.46 1j0yB1 LEU 364 HB3 -0.39 0.07 0.16 -0.04 1.64 1.43 1j0yB1 LEU 364 HG -1.29 -0.07 -0.22 -0.04 1.64 0.02 1j0yB1 LEU 364 HD13 -0.19 -0.02 -0.08 -0.04 0.93 0.60 1j0yB1 LEU 364 HD23 -0.67 0.02 -0.05 -0.04 0.89 0.15 1j0yB1 ASN 365 H 0.10 0.62 0.44 -0.55 8.53 9.14 1j0yB1 ASN 365 HA 0.33 0.13 0.97 -0.75 4.76 5.44 1j0yB1 ASN 365 HB2 0.22 -0.02 -0.01 -0.04 2.88 3.03 1j0yB1 ASN 365 HB3 0.27 -0.04 -0.05 -0.04 2.79 2.93 1j0yB1 ASN 365 HD21 0.16 0.08 -0.28 -0.04 7.03 6.94 1j0yB1 ASN 365 HD22 0.25 -0.07 -0.07 -0.04 7.74 7.81 1j0yB1 GLY 366 H 0.37 0.49 0.25 -0.55 8.43 8.99 1j0yB1 GLY 366 HA2 0.29 0.31 1.04 -0.51 4.01 5.14 1j0yB1 GLY 366 HA3 0.27 -0.01 0.34 -0.51 4.01 4.10 1j0yB1 GLU 367 H 0.09 0.43 0.42 -0.55 8.60 8.99 1j0yB1 GLU 367 HA -0.32 0.17 0.64 -0.75 4.29 4.03 1j0yB1 GLU 367 HB2 -0.09 0.03 0.14 -0.04 2.09 2.13 1j0yB1 GLU 367 HB3 -0.17 0.06 0.14 -0.04 1.99 1.98 1j0yB1 GLU 367 HG2 -0.02 0.03 -0.30 -0.04 2.34 2.00 1j0yB1 GLU 367 HG3 -0.05 -0.11 -0.16 -0.04 2.34 1.98 1j0yB1 ASN 368 H 0.06 0.30 0.24 -0.55 8.53 8.58 1j0yB1 ASN 368 HA 0.12 -0.14 0.76 -0.75 4.76 4.74 1j0yB1 ASN 368 HB2 0.11 0.07 0.09 -0.04 2.88 3.10 1j0yB1 ASN 368 HB3 0.31 0.03 0.09 -0.04 2.79 3.19 1j0yB1 ASN 368 HD21 0.08 0.47 0.08 -0.04 7.03 7.63 1j0yB1 ASN 368 HD22 0.08 0.50 -0.05 -0.04 7.74 8.23 1j0yB1 ALA 369 H 0.01 -0.01 0.22 -0.55 8.40 8.08 1j0yB1 ALA 369 HA 0.00 0.17 0.56 -0.75 4.34 4.31 1j0yB1 ALA 369 HB3 -0.01 -0.01 0.13 -0.04 1.41 1.48 1j0yB1 LEU 370 H -0.00 0.03 0.04 -0.55 8.37 7.89 1j0yB1 LEU 370 HA 0.00 0.23 0.82 -0.75 4.35 4.65 1j0yB1 LEU 370 HB2 -0.03 0.00 -0.03 -0.04 1.64 1.54 1j0yB1 LEU 370 HB3 -0.02 0.00 0.07 -0.04 1.64 1.65 1j0yB1 LEU 370 HG -0.04 -0.14 -0.31 -0.04 1.64 1.11 1j0yB1 LEU 370 HD13 -0.08 0.00 -0.04 -0.04 0.93 0.77 1j0yB1 LEU 370 HD23 -0.03 0.07 -0.06 -0.04 0.89 0.82 1j0yB1 SER 371 H 0.00 0.09 0.07 -0.55 8.46 8.08 1j0yB1 SER 371 HA 0.03 0.18 0.40 -0.75 4.49 4.34 1j0yB1 SER 371 HB2 0.00 -0.04 0.05 -0.04 3.95 3.92 1j0yB1 SER 371 HB3 0.01 0.07 -0.08 -0.04 3.93 3.90 1j0yB1 ILE 372 H 0.02 0.24 0.20 -0.55 8.25 8.16 1j0yB1 ILE 372 HA -0.07 0.09 0.83 -0.75 4.18 4.27 1j0yB1 ILE 372 HB -0.06 0.04 0.13 -0.04 1.89 1.96 1j0yB1 ILE 372 HG12 -0.03 -0.01 -0.04 -0.04 1.49 1.37 1j0yB1 ILE 372 HG13 0.06 0.11 -0.02 -0.04 1.21 1.32 1j0yB1 ILE 372 HG23 -0.53 -0.04 -0.09 -0.04 0.93 0.23 1j0yB1 ILE 372 HD13 0.18 -0.01 -0.10 -0.04 0.88 0.90 1j0yB1 GLY 373 H -0.08 0.15 0.17 -0.55 8.43 8.12 1j0yB1 GLY 373 HA2 -0.04 0.25 0.85 -0.51 4.01 4.57 1j0yB1 GLY 373 HA3 -0.03 0.04 0.32 -0.51 4.01 3.83 1j0yB1 ASN 374 H -0.17 0.10 0.09 -0.55 8.53 8.01 1j0yB1 ASN 374 HA -0.06 0.23 0.89 -0.75 4.76 5.06 1j0yB1 ASN 374 HB2 -0.04 0.15 -0.11 -0.04 2.88 2.84 1j0yB1 ASN 374 HB3 -0.07 -0.03 0.07 -0.04 2.79 2.72 1j0yB1 ASN 374 HD21 -0.02 0.08 -0.00 -0.04 7.03 7.04 1j0yB1 ASN 374 HD22 -0.04 0.06 -0.02 -0.04 7.74 7.71 1j0yB1 GLU 375 H -0.03 0.26 0.15 -0.55 8.60 8.44 1j0yB1 GLU 375 HA -0.03 0.10 0.39 -0.75 4.29 3.99 1j0yB1 GLU 375 HB2 0.13 0.09 0.07 -0.04 2.09 2.34 1j0yB1 GLU 375 HB3 0.11 0.07 0.11 -0.04 1.99 2.24 1j0yB1 GLU 375 HG2 0.02 -0.08 0.11 -0.04 2.34 2.35 1j0yB1 GLU 375 HG3 0.03 0.03 -0.13 -0.04 2.34 2.22 1j0yB1 GLU 376 H -0.03 0.10 -0.21 -0.55 8.60 7.92 1j0yB1 GLU 376 HA 0.01 0.15 0.43 -0.75 4.29 4.12 1j0yB1 GLU 376 HB2 -0.02 -0.03 0.01 -0.04 2.09 2.00 1j0yB1 GLU 376 HB3 -0.01 0.08 0.03 -0.04 1.99 2.06 1j0yB1 GLU 376 HG2 -0.00 -0.08 0.04 -0.04 2.34 2.25 1j0yB1 GLU 376 HG3 -0.00 0.06 0.01 -0.04 2.34 2.37 1j0yB1 GLU 377 H -0.10 0.25 -0.30 -0.55 8.60 7.91 1j0yB1 GLU 377 HA -0.05 0.20 0.59 -0.75 4.29 4.28 1j0yB1 GLU 377 HB2 -0.18 0.08 0.15 -0.04 2.09 2.09 1j0yB1 GLU 377 HB3 -0.07 0.02 0.12 -0.04 1.99 2.01 1j0yB1 GLU 377 HG2 -0.05 0.11 0.03 -0.04 2.34 2.39 1j0yB1 GLU 377 HG3 -0.08 -0.11 0.04 -0.04 2.34 2.15 1j0yB1 TYR 378 H -0.06 0.18 -0.20 -0.55 8.29 7.66 1j0yB1 TYR 378 HA -0.08 0.04 0.37 -0.75 4.56 4.13 1j0yB1 TYR 378 HB2 -0.02 0.20 0.15 -0.04 3.06 3.35 1j0yB1 TYR 378 HB3 -0.07 0.06 -0.09 -0.04 2.98 2.84 1j0yB1 TYR 378 HD2 0.06 -0.02 -0.08 -0.04 7.15 7.08 1j0yB1 TYR 378 HE2 0.20 0.03 -0.06 -0.04 6.85 6.98 1j0yB1 LYS 379 H 0.05 0.33 -0.24 -0.55 8.42 8.01 1j0yB1 LYS 379 HA -0.01 0.09 0.46 -0.75 4.32 4.10 1j0yB1 LYS 379 HB2 0.01 0.13 0.12 -0.04 1.87 2.09 1j0yB1 LYS 379 HB3 0.01 0.01 0.02 -0.04 1.79 1.80 1j0yB1 LYS 379 HG2 0.02 0.03 0.02 -0.04 1.46 1.48 1j0yB1 LYS 379 HG3 0.05 0.12 0.02 -0.04 1.46 1.60 1j0yB1 LYS 379 HD2 0.02 -0.06 0.00 -0.04 1.69 1.61 1j0yB1 LYS 379 HD3 0.03 0.05 -0.00 -0.04 1.68 1.71 1j0yB1 LYS 379 HE2 0.03 -0.01 -0.04 -0.04 2.99 2.93 1j0yB1 LYS 379 HE3 0.03 0.06 -0.04 -0.04 2.99 3.00 1j0yB1 ARG 380 H -0.03 0.24 -0.36 -0.55 8.46 7.76 1j0yB1 ARG 380 HA -0.04 0.06 0.51 -0.75 4.34 4.12 1j0yB1 ARG 380 HB2 -0.05 0.07 0.18 -0.04 1.90 2.07 1j0yB1 ARG 380 HB3 -0.05 0.04 -0.01 -0.04 1.80 1.74 1j0yB1 ARG 380 HG2 -0.01 -0.04 -0.02 -0.04 1.67 1.56 1j0yB1 ARG 380 HG3 -0.02 0.23 0.12 -0.04 1.67 1.96 1j0yB1 ARG 380 HD2 -0.02 0.01 -0.14 -0.04 3.22 3.02 1j0yB1 ARG 380 HD3 -0.01 -0.06 -0.05 -0.04 3.22 3.05 1j0yB1 VAL 381 H -0.11 0.34 -0.21 -0.55 8.24 7.71 1j0yB1 VAL 381 HA -0.26 0.09 0.26 -0.75 4.13 3.46 1j0yB1 VAL 381 HB -0.32 0.15 0.09 -0.04 2.12 2.00 1j0yB1 VAL 381 HG13 -1.20 -0.01 -0.21 -0.04 0.97 -0.49 1j0yB1 VAL 381 HG23 -0.09 0.04 -0.11 -0.04 0.95 0.75 1j0yB1 ALA 382 H -0.23 0.49 -0.23 -0.55 8.40 7.88 1j0yB1 ALA 382 HA -0.71 0.05 0.32 -0.75 4.34 3.25 1j0yB1 ALA 382 HB3 -0.06 0.03 0.07 -0.04 1.41 1.41 1j0yB1 GLU 383 H -0.13 0.32 -0.41 -0.55 8.60 7.84 1j0yB1 GLU 383 HA -0.09 0.06 0.33 -0.75 4.29 3.84 1j0yB1 GLU 383 HB2 -0.01 0.03 0.10 -0.04 2.09 2.18 1j0yB1 GLU 383 HB3 -0.03 0.10 0.12 -0.04 1.99 2.14 1j0yB1 GLU 383 HG2 -0.02 0.01 -0.22 -0.04 2.34 2.07 1j0yB1 GLU 383 HG3 0.07 0.01 -0.03 -0.04 2.34 2.36 1j0yB1 MET 384 H -0.17 0.41 -0.12 -0.55 8.47 8.04 1j0yB1 MET 384 HA 0.11 0.05 0.43 -0.75 4.52 4.36 1j0yB1 MET 384 HB2 -0.32 0.04 0.15 -0.04 2.15 1.98 1j0yB1 MET 384 HB3 -0.25 -0.05 -0.01 -0.04 2.03 1.68 1j0yB1 MET 384 HG2 -0.12 0.26 0.14 -0.04 2.63 2.86 1j0yB1 MET 384 HG3 -0.14 -0.09 0.06 -0.04 2.56 2.34 1j0yB1 MET 384 HE3 -0.55 -0.01 -0.06 -0.04 2.10 1.44 1j0yB1 ALA 385 H -0.44 0.68 -0.08 -0.55 8.40 8.02 1j0yB1 ALA 385 HA -0.36 -0.04 0.25 -0.75 4.34 3.43 1j0yB1 ALA 385 HB3 -0.75 -0.00 -0.00 -0.04 1.41 0.61 1j0yB1 PHE 386 H -0.46 0.61 -0.11 -0.55 8.34 7.82 1j0yB1 PHE 386 HA -0.11 0.09 0.64 -0.75 4.62 4.48 1j0yB1 PHE 386 HB2 -0.20 0.10 -0.15 -0.04 3.15 2.86 1j0yB1 PHE 386 HB3 -0.19 -0.01 0.04 -0.04 3.06 2.86 1j0yB1 PHE 386 HD2 -0.31 -0.04 -0.10 -0.04 7.28 6.78 1j0yB1 PHE 386 HE2 -1.13 0.13 -0.02 -0.04 7.38 6.32 1j0yB1 PHE 386 HZ -0.60 0.09 0.02 -0.04 7.32 6.79 1j0yB1 ASN 387 H -0.04 0.21 -0.42 -0.55 8.53 7.73 1j0yB1 ASN 387 HA -0.18 0.33 1.01 -0.75 4.76 5.17 1j0yB1 ASN 387 HB2 -0.42 0.32 0.16 -0.04 2.88 2.89 1j0yB1 ASN 387 HB3 -0.98 -0.15 0.07 -0.04 2.79 1.68 1j0yB1 ASN 387 HD21 -0.20 -0.07 0.03 -0.04 7.03 6.75 1j0yB1 ASN 387 HD22 -0.30 0.14 0.15 -0.04 7.74 7.69 1j0yB1 TYR 388 H 0.23 0.44 -0.02 -0.55 8.29 8.38 1j0yB1 TYR 388 HA 0.06 0.20 0.93 -0.75 4.56 5.00 1j0yB1 TYR 388 HB2 0.33 0.15 0.10 -0.04 3.06 3.61 1j0yB1 TYR 388 HB3 0.17 -0.07 0.13 -0.04 2.98 3.17 1j0yB1 TYR 388 HD2 0.02 0.04 -0.01 -0.04 7.15 7.16 1j0yB1 TYR 388 HE2 0.12 -0.02 -0.05 -0.04 6.85 6.86 1j0yB1 ASN 389 H 0.11 0.16 -0.32 -0.55 8.53 7.94 1j0yB1 ASN 389 HA 0.10 0.05 0.25 -0.75 4.76 4.40 1j0yB1 ASN 389 HB2 0.02 0.02 -0.26 -0.04 2.88 2.62 1j0yB1 ASN 389 HB3 -0.01 0.10 0.15 -0.04 2.79 2.98 1j0yB1 ASN 389 HD21 0.01 -0.04 0.01 -0.04 7.03 6.96 1j0yB1 ASN 389 HD22 -0.01 0.01 0.03 -0.04 7.74 7.73 1j0yB1 PHE 390 H 0.44 0.36 0.03 -0.55 8.34 8.61 1j0yB1 PHE 390 HA 0.10 0.09 0.52 -0.75 4.62 4.58 1j0yB1 PHE 390 HB2 0.07 0.07 0.17 -0.04 3.15 3.42 1j0yB1 PHE 390 HB3 0.17 0.02 0.04 -0.04 3.06 3.25 1j0yB1 PHE 390 HD2 0.12 0.02 -0.25 -0.04 7.28 7.12 1j0yB1 PHE 390 HE2 0.10 0.01 -0.21 -0.04 7.38 7.23 1j0yB1 PHE 390 HZ 0.05 -0.07 -0.12 -0.04 7.32 7.14 1j0yB1 ALA 391 H 0.13 0.67 0.44 -0.55 8.40 9.09 1j0yB1 ALA 391 HA 0.17 0.07 0.61 -0.75 4.34 4.43 1j0yB1 ALA 391 HB3 0.07 0.01 0.05 -0.04 1.41 1.50 1j0yB1 GLY 392 H 0.30 0.17 0.17 -0.55 8.43 8.53 1j0yB1 GLY 392 HA2 -0.22 0.31 0.74 -0.51 4.01 4.33 1j0yB1 GLY 392 HA3 0.20 -0.01 0.32 -0.51 4.01 4.01 1j0yB1 PHE 393 H -0.06 0.63 0.38 -0.55 8.34 8.74 1j0yB1 PHE 393 HA 0.15 0.17 0.87 -0.75 4.62 5.06 1j0yB1 PHE 393 HB2 0.13 0.05 -0.08 -0.04 3.15 3.22 1j0yB1 PHE 393 HB3 0.18 0.07 0.07 -0.04 3.06 3.34 1j0yB1 PHE 393 HD2 0.15 0.04 -0.20 -0.04 7.28 7.24 1j0yB1 PHE 393 HE2 0.19 -0.11 -0.26 -0.04 7.38 7.15 1j0yB1 PHE 393 HZ 0.14 -0.14 -0.09 -0.04 7.32 7.18 1j0yB1 THR 394 H -0.51 0.76 0.37 -0.55 8.28 8.35 1j0yB1 THR 394 HA -0.06 0.24 1.00 -0.75 4.39 4.82 1j0yB1 THR 394 HB -0.12 -0.02 0.04 -0.04 4.32 4.18 1j0yB1 THR 394 HG23 -0.03 -0.03 -0.36 -0.04 1.22 0.76 1j0yB1 LEU 395 H -0.05 0.78 0.28 -0.55 8.37 8.84 1j0yB1 LEU 395 HA -0.10 0.02 0.79 -0.75 4.35 4.29 1j0yB1 LEU 395 HB2 0.27 0.07 0.00 -0.04 1.64 1.95 1j0yB1 LEU 395 HB3 0.04 0.04 0.17 -0.04 1.64 1.85 1j0yB1 LEU 395 HG 0.07 -0.08 -0.55 -0.04 1.64 1.04 1j0yB1 LEU 395 HD13 0.44 -0.02 -0.05 -0.04 0.93 1.26 1j0yB1 LEU 395 HD23 -0.09 0.00 -0.14 -0.04 0.89 0.62 1j0yB1 LEU 396 H 0.01 0.17 0.19 -0.55 8.37 8.20 1j0yB1 LEU 396 HA -0.00 0.06 0.79 -0.75 4.35 4.44 1j0yB1 LEU 396 HB2 0.01 0.04 0.09 -0.04 1.64 1.74 1j0yB1 LEU 396 HB3 0.02 -0.03 -0.07 -0.04 1.64 1.52 1j0yB1 LEU 396 HG -0.02 -0.01 -0.02 -0.04 1.64 1.55 1j0yB1 LEU 396 HD13 -0.06 0.00 -0.18 -0.04 0.93 0.65 1j0yB1 LEU 396 HD23 -0.00 0.03 -0.03 -0.04 0.89 0.85 1j0yB1 ARG 397 H 0.03 0.19 0.11 -0.55 8.46 8.23 1j0yB1 ARG 397 HA 0.01 0.26 0.48 -0.75 4.34 4.33 1j0yB1 ARG 397 HB2 0.02 0.02 0.02 -0.04 1.90 1.92 1j0yB1 ARG 397 HB3 0.04 -0.06 -0.05 -0.04 1.80 1.68 1j0yB1 ARG 397 HG2 0.07 -0.06 -0.19 -0.04 1.67 1.44 1j0yB1 ARG 397 HG3 0.03 0.15 -0.15 -0.04 1.67 1.66 1j0yB1 ARG 397 HD2 0.04 -0.11 -0.06 -0.04 3.22 3.05 1j0yB1 ARG 397 HD3 0.03 0.01 -0.03 -0.04 3.22 3.19 1j0yB1 TYR 398 H 0.09 0.85 0.20 -0.55 8.29 8.89 1j0yB1 TYR 398 HA -0.17 0.07 0.36 -0.75 4.56 4.07 1j0yB1 TYR 398 HB2 -0.04 0.34 0.23 -0.04 3.06 3.55 1j0yB1 TYR 398 HB3 -0.05 -0.19 0.10 -0.04 2.98 2.80 1j0yB1 TYR 398 HD2 -0.08 -0.01 -0.08 -0.04 7.15 6.94 1j0yB1 TYR 398 HE2 0.08 0.04 -0.09 -0.04 6.85 6.84 1j0yB1 GLN 399 H 0.13 0.10 -0.09 -0.55 8.47 8.07 1j0yB1 GLN 399 HA -0.64 0.05 0.34 -0.75 4.36 3.35 1j0yB1 GLN 399 HB2 0.09 0.05 0.03 -0.04 2.15 2.27 1j0yB1 GLN 399 HB3 0.07 0.04 0.08 -0.04 2.02 2.16 1j0yB1 GLN 399 HG2 0.05 -0.00 -0.06 -0.04 2.40 2.35 1j0yB1 GLN 399 HG3 0.10 0.03 -0.04 -0.04 2.39 2.45 1j0yB1 GLN 399 HE21 0.07 -0.06 0.04 -0.04 6.97 6.97 1j0yB1 GLN 399 HE22 0.13 0.07 0.01 -0.04 7.69 7.85 1j0yB1 ASP 400 H -0.03 0.54 -0.18 -0.55 8.40 8.17 1j0yB1 ASP 400 HA 0.03 0.05 0.40 -0.75 4.63 4.35 1j0yB1 ASP 400 HB2 0.02 0.07 0.12 -0.04 2.71 2.88 1j0yB1 ASP 400 HB3 0.04 0.07 0.05 -0.04 2.70 2.82 1j0yB1 VAL 401 H -0.08 0.28 -0.08 -0.55 8.24 7.81 1j0yB1 VAL 401 HA 0.08 0.14 0.80 -0.75 4.13 4.40 1j0yB1 VAL 401 HB 0.05 0.02 -0.02 -0.04 2.12 2.13 1j0yB1 VAL 401 HG13 0.14 -0.02 -0.20 -0.04 0.97 0.84 1j0yB1 VAL 401 HG23 -0.15 0.03 -0.08 -0.04 0.95 0.71 1j0yB1 MET 402 H -0.27 0.36 -0.02 -0.55 8.47 7.99 1j0yB1 MET 402 HA -0.00 0.12 0.35 -0.75 4.52 4.23 1j0yB1 MET 402 HB2 -0.75 0.18 0.01 -0.04 2.15 1.54 1j0yB1 MET 402 HB3 -1.03 -0.05 -0.07 -0.04 2.03 0.85 1j0yB1 MET 402 HG2 -0.82 -0.06 -0.09 -0.04 2.63 1.63 1j0yB1 MET 402 HG3 -0.14 -0.01 -0.06 -0.04 2.56 2.31 1j0yB1 MET 402 HE3 -0.56 0.01 -0.09 -0.04 2.10 1.42 1j0yB1 TYR 403 H -0.15 0.36 -0.29 -0.55 8.29 7.66 1j0yB1 TYR 403 HA 0.03 0.19 0.79 -0.75 4.56 4.81 1j0yB1 TYR 403 HB2 0.03 0.14 0.10 -0.04 3.06 3.30 1j0yB1 TYR 403 HB3 0.03 -0.04 0.17 -0.04 2.98 3.09 1j0yB1 TYR 403 HD2 0.03 0.10 -0.19 -0.04 7.15 7.05 1j0yB1 TYR 403 HE2 0.07 -0.00 -0.06 -0.04 6.85 6.82 1j0yB1 ASN 404 H 0.13 0.36 -0.71 -0.55 8.53 7.76 1j0yB1 ASN 404 HA 0.11 0.11 0.80 -0.75 4.76 5.03 1j0yB1 ASN 404 HB2 0.10 0.11 -0.08 -0.04 2.88 2.97 1j0yB1 ASN 404 HB3 0.10 0.16 0.25 -0.04 2.79 3.26 1j0yB1 ASN 404 HD21 0.06 -0.00 0.06 -0.04 7.03 7.10 1j0yB1 ASN 404 HD22 0.06 0.10 0.07 -0.04 7.74 7.94 1j0yB1 ASN 405 H 0.11 0.22 0.02 -0.55 8.53 8.34 1j0yB1 ASN 405 HA 0.25 0.17 0.35 -0.75 4.76 4.78 1j0yB1 ASN 405 HB2 0.09 -0.04 0.10 -0.04 2.88 2.99 1j0yB1 ASN 405 HB3 0.14 0.05 0.04 -0.04 2.79 2.99 1j0yB1 ASN 405 HD21 -0.09 0.03 0.01 -0.04 7.03 6.94 1j0yB1 ASN 405 HD22 0.00 -0.00 0.01 -0.04 7.74 7.71 1j0yB1 SER 406 H 0.11 0.05 -0.27 -0.55 8.46 7.80 1j0yB1 SER 406 HA 0.11 0.13 0.41 -0.75 4.49 4.38 1j0yB1 SER 406 HB2 0.08 -0.03 0.10 -0.04 3.95 4.05 1j0yB1 SER 406 HB3 0.08 0.02 -0.05 -0.04 3.93 3.94 1j0yB1 LEU 407 H 0.13 0.14 -0.08 -0.55 8.37 8.02 1j0yB1 LEU 407 HA 0.23 -0.01 0.41 -0.75 4.35 4.23 1j0yB1 LEU 407 HB2 0.14 0.14 0.18 -0.04 1.64 2.06 1j0yB1 LEU 407 HB3 0.26 0.01 -0.08 -0.04 1.64 1.79 1j0yB1 LEU 407 HG 0.07 -0.02 -0.00 -0.04 1.64 1.65 1j0yB1 LEU 407 HD13 0.04 0.02 -0.00 -0.04 0.93 0.95 1j0yB1 LEU 407 HD23 0.02 -0.02 -0.30 -0.04 0.89 0.54 1j0yB1 MET 408 H 0.18 0.59 -0.06 -0.55 8.47 8.63 1j0yB1 MET 408 HA 0.15 -0.04 0.33 -0.75 4.52 4.20 1j0yB1 MET 408 HB2 0.18 0.26 0.10 -0.04 2.15 2.66 1j0yB1 MET 408 HB3 0.25 0.05 0.11 -0.04 2.03 2.40 1j0yB1 MET 408 HG2 0.14 0.01 -0.08 -0.04 2.63 2.67 1j0yB1 MET 408 HG3 -0.07 0.03 -0.20 -0.04 2.56 2.27 1j0yB1 MET 408 HE3 -0.16 0.00 -0.25 -0.04 2.10 1.65 1j0yB1 GLY 409 H 0.15 0.39 -0.32 -0.55 8.43 8.10 1j0yB1 GLY 409 HA2 0.06 0.08 0.40 -0.51 4.01 4.03 1j0yB1 GLY 409 HA3 0.10 0.04 0.31 -0.51 4.01 3.95 1j0yB1 LYS 410 H 0.15 0.36 -0.15 -0.55 8.42 8.22 1j0yB1 LYS 410 HA 0.06 0.03 0.49 -0.75 4.32 4.15 1j0yB1 LYS 410 HB2 0.30 0.12 0.24 -0.04 1.87 2.49 1j0yB1 LYS 410 HB3 0.38 -0.09 -0.00 -0.04 1.79 2.04 1j0yB1 LYS 410 HG2 0.16 -0.16 0.04 -0.04 1.46 1.45 1j0yB1 LYS 410 HG3 0.12 -0.01 0.06 -0.04 1.46 1.59 1j0yB1 LYS 410 HD2 0.09 0.01 -0.06 -0.04 1.69 1.68 1j0yB1 LYS 410 HD3 0.12 0.24 0.05 -0.04 1.68 2.04 1j0yB1 LYS 410 HE2 0.07 -0.10 -0.00 -0.04 2.99 2.92 1j0yB1 LYS 410 HE3 0.06 0.01 -0.00 -0.04 2.99 3.01 1j0yB1 PHE 411 H 0.09 0.60 -0.05 -0.55 8.34 8.42 1j0yB1 PHE 411 HA -0.74 -0.08 0.33 -0.75 4.62 3.38 1j0yB1 PHE 411 HB2 -0.52 -0.10 0.02 -0.04 3.15 2.51 1j0yB1 PHE 411 HB3 -0.17 0.19 0.10 -0.04 3.06 3.14 1j0yB1 PHE 411 HD2 -0.47 0.06 -0.18 -0.04 7.28 6.65 1j0yB1 PHE 411 HE2 -0.41 0.05 -0.20 -0.04 7.38 6.78 1j0yB1 PHE 411 HZ -0.11 0.05 -0.18 -0.04 7.32 7.04 1j0yB1 LYS 412 H 0.03 0.53 -0.11 -0.55 8.42 8.31 1j0yB1 LYS 412 HA -0.15 0.23 0.46 -0.75 4.32 4.12 1j0yB1 LYS 412 HB2 -0.09 0.01 0.20 -0.04 1.87 1.94 1j0yB1 LYS 412 HB3 -0.04 0.00 0.22 -0.04 1.79 1.93 1j0yB1 LYS 412 HG2 -0.07 -0.09 0.02 -0.04 1.46 1.27 1j0yB1 LYS 412 HG3 -0.08 0.00 -0.31 -0.04 1.46 1.03 1j0yB1 LYS 412 HD2 -0.11 0.13 -0.08 -0.04 1.69 1.58 1j0yB1 LYS 412 HD3 -0.13 -0.12 0.05 -0.04 1.68 1.44 1j0yB1 LYS 412 HE2 -0.06 -0.06 -0.03 -0.04 2.99 2.79 1j0yB1 LYS 412 HE3 -0.07 0.08 0.01 -0.04 2.99 2.97 1j0yB1 ASP 413 H -0.10 0.36 -0.20 -0.55 8.40 7.92 1j0yB1 ASP 413 HA -0.11 0.10 0.38 -0.75 4.63 4.25 1j0yB1 ASP 413 HB2 -0.04 -0.01 0.12 -0.04 2.71 2.73 1j0yB1 ASP 413 HB3 -0.05 0.03 0.19 -0.04 2.70 2.83 1j0yB1 LEU 414 H -0.21 0.55 -0.02 -0.55 8.37 8.14 1j0yB1 LEU 414 HA -0.14 0.08 0.62 -0.75 4.35 4.16 1j0yB1 LEU 414 HB2 -0.27 -0.01 0.04 -0.04 1.64 1.36 1j0yB1 LEU 414 HB3 -0.13 -0.07 -0.08 -0.04 1.64 1.32 1j0yB1 LEU 414 HG -0.05 0.08 0.03 -0.04 1.64 1.65 1j0yB1 LEU 414 HD13 0.08 -0.06 -0.09 -0.04 0.93 0.82 1j0yB1 LEU 414 HD23 -0.03 -0.00 -0.04 -0.04 0.89 0.77 1j0yB1 LEU 415 H -0.68 0.73 0.11 -0.55 8.37 7.98 1j0yB1 LEU 415 HA -0.17 0.22 1.02 -0.75 4.35 4.67 1j0yB1 LEU 415 HB2 -1.79 -0.02 0.00 -0.04 1.64 -0.21 1j0yB1 LEU 415 HB3 -0.50 -0.01 -0.02 -0.04 1.64 1.07 1j0yB1 LEU 415 HG -0.43 -0.07 -0.42 -0.04 1.64 0.69 1j0yB1 LEU 415 HD13 -0.43 -0.04 -0.07 -0.04 0.93 0.35 1j0yB1 LEU 415 HD23 -0.54 0.01 -0.14 -0.04 0.89 0.19 1j0yB1 GLY 416 H -0.66 0.43 0.06 -0.55 8.43 7.72 1j0yB1 GLY 416 HA2 -0.18 0.07 0.53 -0.51 4.01 3.91 1j0yB1 GLY 416 HA3 -0.25 0.14 0.45 -0.51 4.01 3.84 1j0yB1 VAL 417 H -0.01 0.39 -0.41 -0.55 8.24 7.65 1j0yB1 VAL 417 HA -0.11 0.22 0.79 -0.75 4.13 4.28 1j0yB1 VAL 417 HB -0.20 -0.09 -0.10 -0.04 2.12 1.69 1j0yB1 VAL 417 HG13 -0.21 -0.02 -0.34 -0.04 0.97 0.36 1j0yB1 VAL 417 HG23 -0.30 0.00 -0.23 -0.04 0.95 0.39 1j0yB1 THR 418 H -0.09 0.17 0.12 -0.55 8.28 7.93 1j0yB1 THR 418 HA -0.02 0.31 0.81 -0.75 4.39 4.74 1j0yB1 THR 418 HB -0.07 -0.11 0.16 -0.04 4.32 4.26 1j0yB1 THR 418 HG23 -0.05 0.02 -0.10 -0.04 1.22 1.05 1j0yB1 PRO 419 HA -0.13 0.20 0.58 -0.51 4.44 4.57 1j0yB1 PRO 419 HB2 -0.05 -0.06 -0.12 -0.04 2.28 2.01 1j0yB1 PRO 419 HB3 -0.08 -0.02 -0.12 -0.04 2.02 1.76 1j0yB1 PRO 419 HG2 -0.01 0.11 0.18 -0.04 2.03 2.27 1j0yB1 PRO 419 HG3 0.09 0.04 -0.00 -0.04 2.03 2.12 1j0yB1 PRO 419 HD2 0.01 0.13 0.27 -0.04 3.68 4.05 1j0yB1 PRO 419 HD3 0.11 0.20 0.03 -0.04 3.65 3.94 1j0yB1 VAL 420 H -0.13 0.62 0.31 -0.55 8.24 8.50 1j0yB1 VAL 420 HA -0.07 0.14 0.93 -0.75 4.13 4.37 1j0yB1 VAL 420 HB -0.10 0.03 -0.06 -0.04 2.12 1.94 1j0yB1 VAL 420 HG13 -0.19 0.03 -0.08 -0.04 0.97 0.68 1j0yB1 VAL 420 HG23 -0.10 0.04 -0.22 -0.04 0.95 0.62 1j0yB1 MET 421 H -0.05 0.13 0.12 -0.55 8.47 8.12 1j0yB1 MET 421 HA -0.04 0.07 0.40 -0.75 4.52 4.20 1j0yB1 MET 421 HB2 -0.02 0.03 0.06 -0.04 2.15 2.18 1j0yB1 MET 421 HB3 -0.02 -0.04 0.12 -0.04 2.03 2.05 1j0yB1 MET 421 HG2 -0.00 -0.04 -0.08 -0.04 2.63 2.47 1j0yB1 MET 421 HG3 0.01 0.01 -0.31 -0.04 2.56 2.22 1j0yB1 MET 421 HE3 -0.01 0.01 -0.05 -0.04 2.10 2.01 1j0yB1 GLN 422 H 0.00 0.55 0.24 -0.55 8.47 8.72 1j0yB1 GLN 422 HA 0.06 0.09 0.71 -0.75 4.36 4.48 1j0yB1 GLN 422 HB2 0.06 0.09 0.01 -0.04 2.15 2.27 1j0yB1 GLN 422 HB3 0.31 -0.09 -0.02 -0.04 2.02 2.18 1j0yB1 GLN 422 HG2 -0.16 0.13 -0.64 -0.04 2.40 1.69 1j0yB1 GLN 422 HG3 -0.44 -0.06 -0.15 -0.04 2.39 1.70 1j0yB1 GLN 422 HE21 -0.23 0.12 -0.32 -0.04 6.97 6.50 1j0yB1 GLN 422 HE22 -0.32 0.07 -0.24 -0.04 7.69 7.16 1j0yB1 THR 423 H 0.21 0.39 0.25 -0.55 8.28 8.58 1j0yB1 THR 423 HA 0.09 0.32 1.21 -0.75 4.39 5.25 1j0yB1 THR 423 HB 0.10 -0.01 0.19 -0.04 4.32 4.56 1j0yB1 THR 423 HG23 0.06 -0.02 -0.16 -0.04 1.22 1.06 1j0yB1 ILE 424 H 0.10 0.68 0.36 -0.55 8.25 8.83 1j0yB1 ILE 424 HA 0.10 0.14 0.98 -0.75 4.18 4.65 1j0yB1 ILE 424 HB 0.08 -0.01 0.08 -0.04 1.89 2.00 1j0yB1 ILE 424 HG12 0.09 -0.01 -0.26 -0.04 1.49 1.27 1j0yB1 ILE 424 HG13 -0.06 0.03 -0.15 -0.04 1.21 1.00 1j0yB1 ILE 424 HG23 0.15 -0.00 -0.20 -0.04 0.93 0.84 1j0yB1 ILE 424 HD13 -0.01 0.01 -0.10 -0.04 0.88 0.73 1j0yB1 VAL 425 H 0.11 0.86 0.36 -0.55 8.24 9.02 1j0yB1 VAL 425 HA 0.12 0.26 1.14 -0.75 4.13 4.89 1j0yB1 VAL 425 HB 0.06 -0.08 0.09 -0.04 2.12 2.15 1j0yB1 VAL 425 HG13 0.07 -0.01 -0.18 -0.04 0.97 0.80 1j0yB1 VAL 425 HG23 0.06 -0.01 -0.28 -0.04 0.95 0.68 1j0yB1 VAL 426 H 0.20 0.94 0.37 -0.55 8.24 9.20 1j0yB1 VAL 426 HA 0.17 0.32 1.03 -0.75 4.13 4.89 1j0yB1 VAL 426 HB 0.24 -0.03 0.10 -0.04 2.12 2.39 1j0yB1 VAL 426 HG13 0.31 -0.02 -0.24 -0.04 0.97 0.97 1j0yB1 VAL 426 HG23 0.21 0.00 -0.24 -0.04 0.95 0.88 1j0yB1 LYS 427 H 0.15 0.75 0.43 -0.55 8.42 9.20 1j0yB1 LYS 427 HA 0.19 0.12 1.14 -0.75 4.32 5.01 1j0yB1 LYS 427 HB2 0.10 0.02 0.13 -0.04 1.87 2.08 1j0yB1 LYS 427 HB3 0.10 0.07 0.02 -0.04 1.79 1.94 1j0yB1 LYS 427 HG2 0.09 0.15 -0.01 -0.04 1.46 1.65 1j0yB1 LYS 427 HG3 0.09 -0.11 -0.07 -0.04 1.46 1.33 1j0yB1 LYS 427 HD2 0.04 -0.03 -0.12 -0.04 1.69 1.54 1j0yB1 LYS 427 HD3 0.05 0.02 -0.05 -0.04 1.68 1.66 1j0yB1 LYS 427 HE2 0.04 -0.03 -0.11 -0.04 2.99 2.85 1j0yB1 LYS 427 HE3 0.03 -0.00 -0.07 -0.04 2.99 2.91 1j0yB1 ASN 428 H 0.13 0.27 0.23 -0.55 8.53 8.62 1j0yB1 ASN 428 HA 0.07 0.09 0.31 -0.75 4.76 4.48 1j0yB1 ASN 428 HB2 0.17 -0.02 0.32 -0.04 2.88 3.31 1j0yB1 ASN 428 HB3 0.10 0.02 0.21 -0.04 2.79 3.08 1j0yB1 ASN 428 HD21 0.06 0.04 -0.01 -0.04 7.03 7.07 1j0yB1 ASN 428 HD22 0.06 0.04 0.04 -0.04 7.74 7.84 1j0yB1 VAL 429 H 0.07 0.08 -0.10 -0.55 8.24 7.73 1j0yB1 VAL 429 HA -0.66 0.19 0.52 -0.75 4.13 3.43 1j0yB1 VAL 429 HB -0.23 -0.03 -0.00 -0.04 2.12 1.82 1j0yB1 VAL 429 HG13 -1.17 0.00 -0.31 -0.04 0.97 -0.55 1j0yB1 VAL 429 HG23 0.05 -0.00 -0.28 -0.04 0.95 0.68 1j0yB1 PRO 430 HA -0.19 0.08 0.32 -0.51 4.44 4.14 1j0yB1 PRO 430 HB2 -0.29 -0.01 0.17 -0.04 2.28 2.11 1j0yB1 PRO 430 HB3 -0.14 0.02 0.07 -0.04 2.02 1.93 1j0yB1 PRO 430 HG2 -0.14 0.03 0.07 -0.04 2.03 1.96 1j0yB1 PRO 430 HG3 -0.14 0.07 0.04 -0.04 2.03 1.95 1j0yB1 PRO 430 HD2 -1.70 0.07 0.08 -0.04 3.68 2.08 1j0yB1 PRO 430 HD3 -0.91 0.31 0.39 -0.04 3.65 3.40 1j0yB1 THR 431 H -0.21 0.54 0.12 -0.55 8.28 8.18 1j0yB1 THR 431 HA -0.28 0.05 0.63 -0.75 4.39 4.03 1j0yB1 THR 431 HB -0.02 0.01 0.07 -0.04 4.32 4.33 1j0yB1 THR 431 HG23 0.01 -0.01 -0.19 -0.04 1.22 0.99 1j0yB1 THR 432 H -0.13 0.13 0.14 -0.55 8.28 7.87 1j0yB1 THR 432 HA -0.07 0.10 0.58 -0.75 4.39 4.24 1j0yB1 THR 432 HB -0.06 -0.01 0.02 -0.04 4.32 4.23 1j0yB1 THR 432 HG23 -0.04 0.03 0.08 -0.04 1.22 1.25 1j0yB1 ILE 433 H -0.04 0.10 0.13 -0.55 8.25 7.89 1j0yB1 ILE 433 HA -0.02 0.06 0.46 -0.75 4.18 3.93 1j0yB1 ILE 433 HB -0.02 -0.02 0.16 -0.04 1.89 1.97 1j0yB1 ILE 433 HG12 -0.02 0.02 0.06 -0.04 1.49 1.50 1j0yB1 ILE 433 HG13 -0.03 0.04 0.06 -0.04 1.21 1.25 1j0yB1 ILE 433 HG23 -0.01 0.01 -0.06 -0.04 0.93 0.82 1j0yB1 ILE 433 HD13 -0.03 -0.02 0.09 -0.04 0.88 0.88 1j0yB1 GLY 434 H -0.00 0.17 0.21 -0.55 8.43 8.27 1j0yB1 GLY 434 HA2 0.00 0.04 0.35 -0.51 4.01 3.90 1j0yB1 GLY 434 HA3 -0.01 0.08 0.67 -0.51 4.01 4.24 1j0yB1 ASP 435 H -0.03 0.38 -0.12 -0.55 8.40 8.08 1j0yB1 ASP 435 HA -0.06 0.19 0.66 -0.75 4.63 4.66 1j0yB1 ASP 435 HB2 -0.15 0.03 0.01 -0.04 2.71 2.57 1j0yB1 ASP 435 HB3 -0.23 0.00 -0.03 -0.04 2.70 2.40 1j0yB1 THR 436 H -0.14 0.47 0.33 -0.55 8.28 8.38 1j0yB1 THR 436 HA -0.16 0.12 0.83 -0.75 4.39 4.43 1j0yB1 THR 436 HB -0.08 0.04 -0.09 -0.04 4.32 4.15 1j0yB1 THR 436 HG23 -0.05 0.02 0.03 -0.04 1.22 1.18 1j0yB1 VAL 437 H -0.73 0.23 0.16 -0.55 8.24 7.36 1j0yB1 VAL 437 HA -0.55 0.28 1.11 -0.75 4.13 4.22 1j0yB1 VAL 437 HB -0.91 -0.03 -0.01 -0.04 2.12 1.12 1j0yB1 VAL 437 HG13 -0.30 0.02 -0.09 -0.04 0.97 0.55 1j0yB1 VAL 437 HG23 -1.83 -0.02 -0.25 -0.04 0.95 -1.19 1j0yB1 TYR 438 H -0.50 0.47 0.38 -0.55 8.29 8.09 1j0yB1 TYR 438 HA -0.26 0.21 0.94 -0.75 4.56 4.70 1j0yB1 TYR 438 HB2 -1.85 -0.10 -0.09 -0.04 3.06 0.99 1j0yB1 TYR 438 HB3 -0.35 0.12 0.00 -0.04 2.98 2.71 1j0yB1 TYR 438 HD2 -0.32 0.00 -0.63 -0.04 7.15 6.16 1j0yB1 TYR 438 HE2 -0.09 -0.00 -0.19 -0.04 6.85 6.53 1j0yB1 ILE 439 H 0.10 0.73 0.36 -0.55 8.25 8.89 1j0yB1 ILE 439 HA 0.24 0.24 0.93 -0.75 4.18 4.84 1j0yB1 ILE 439 HB 0.25 -0.04 -0.05 -0.04 1.89 2.02 1j0yB1 ILE 439 HG12 0.05 0.07 -0.07 -0.04 1.49 1.51 1j0yB1 ILE 439 HG13 0.06 0.05 -0.11 -0.04 1.21 1.17 1j0yB1 ILE 439 HG23 0.19 -0.04 -0.28 -0.04 0.93 0.76 1j0yB1 ILE 439 HD13 -0.06 -0.02 -0.18 -0.04 0.88 0.58 1j0yB1 THR 440 H 0.40 0.42 0.35 -0.55 8.28 8.90 1j0yB1 THR 440 HA 0.11 0.47 0.67 -0.75 4.39 4.88 1j0yB1 THR 440 HB 0.44 0.10 -0.17 -0.04 4.32 4.65 1j0yB1 THR 440 HG23 0.75 -0.01 -0.22 -0.04 1.22 1.69 1j0yB1 GLY 441 H -0.31 0.31 0.06 -0.55 8.43 7.94 1j0yB1 GLY 441 HA2 -1.62 0.14 0.80 -0.51 4.01 2.82 1j0yB1 GLY 441 HA3 -0.46 0.07 0.46 -0.51 4.01 3.56 1j0yB1 ASN 442 H -0.56 0.48 0.31 -0.55 8.53 8.22 1j0yB1 ASN 442 HA -0.61 0.10 0.36 -0.75 4.76 3.85 1j0yB1 ASN 442 HB2 0.13 0.01 0.08 -0.04 2.88 3.05 1j0yB1 ASN 442 HB3 0.28 0.02 0.10 -0.04 2.79 3.14 1j0yB1 ASN 442 HD21 0.04 0.12 -0.03 -0.04 7.03 7.12 1j0yB1 ASN 442 HD22 0.08 -0.01 -0.03 -0.04 7.74 7.74 1j0yB1 ARG 443 H -0.22 0.06 -0.09 -0.55 8.46 7.65 1j0yB1 ARG 443 HA -0.08 0.25 0.82 -0.75 4.34 4.57 1j0yB1 ARG 443 HB2 -0.16 0.00 0.07 -0.04 1.90 1.77 1j0yB1 ARG 443 HB3 -0.15 -0.05 0.10 -0.04 1.80 1.66 1j0yB1 ARG 443 HG2 -0.08 0.04 0.02 -0.04 1.67 1.61 1j0yB1 ARG 443 HG3 -0.08 -0.06 -0.01 -0.04 1.67 1.48 1j0yB1 ARG 443 HD2 -0.09 0.10 -0.02 -0.04 3.22 3.17 1j0yB1 ARG 443 HD3 -0.13 -0.02 -0.06 -0.04 3.22 2.97 1j0yB1 ALA 444 H -0.05 0.24 0.16 -0.55 8.40 8.20 1j0yB1 ALA 444 HA -0.02 0.06 0.31 -0.75 4.34 3.94 1j0yB1 ALA 444 HB3 0.07 0.06 -0.09 -0.04 1.41 1.40 1j0yB1 GLU 445 H -0.17 0.01 -0.30 -0.55 8.60 7.58 1j0yB1 GLU 445 HA -0.17 0.21 0.39 -0.75 4.29 3.96 1j0yB1 GLU 445 HB2 -0.29 -0.11 -0.02 -0.04 2.09 1.63 1j0yB1 GLU 445 HB3 -0.32 0.12 0.03 -0.04 1.99 1.78 1j0yB1 GLU 445 HG2 -0.76 0.07 -0.07 -0.04 2.34 1.54 1j0yB1 GLU 445 HG3 -1.22 0.04 -0.03 -0.04 2.34 1.08 1j0yB1 LEU 446 H -0.14 0.16 -0.47 -0.55 8.37 7.37 1j0yB1 LEU 446 HA -0.09 0.34 0.77 -0.75 4.35 4.62 1j0yB1 LEU 446 HB2 -0.21 -0.11 -0.04 -0.04 1.64 1.23 1j0yB1 LEU 446 HB3 -0.16 -0.14 0.01 -0.04 1.64 1.30 1j0yB1 LEU 446 HG -0.18 0.06 -0.32 -0.04 1.64 1.17 1j0yB1 LEU 446 HD13 -0.19 -0.03 -0.13 -0.04 0.93 0.54 1j0yB1 LEU 446 HD23 -0.19 0.03 -0.18 -0.04 0.89 0.51 1j0yB1 GLY 447 H -0.06 0.21 -0.37 -0.55 8.43 7.66 1j0yB1 GLY 447 HA2 0.07 0.13 0.24 -0.51 4.01 3.94 1j0yB1 GLY 447 HA3 0.11 0.23 0.64 -0.51 4.01 4.48 1j0yB1 SER 448 H -0.11 0.44 -0.19 -0.55 8.46 8.06 1j0yB1 SER 448 HA -0.12 0.12 0.11 -0.75 4.49 3.86 1j0yB1 SER 448 HB2 0.14 0.13 -0.07 -0.04 3.95 4.11 1j0yB1 SER 448 HB3 0.11 -0.05 0.11 -0.04 3.93 4.06 1j0yB1 TRP 449 H -0.23 0.24 -0.18 -0.55 7.97 7.25 1j0yB1 TRP 449 HA 0.15 -0.04 0.08 -0.75 4.62 4.07 1j0yB1 TRP 449 HB2 0.03 0.22 -0.09 -0.04 3.23 3.35 1j0yB1 TRP 449 HB3 0.02 -0.07 0.06 -0.04 3.23 3.20 1j0yB1 TRP 449 HD1 0.01 0.05 -0.26 -0.04 7.22 6.98 1j0yB1 TRP 449 HE1 -0.00 -0.03 -0.12 -0.04 10.20 10.01 1j0yB1 TRP 449 HE3 0.15 0.03 -0.19 -0.04 7.59 7.54 1j0yB1 TRP 449 HZ2 -0.00 -0.03 -0.14 -0.04 7.44 7.22 1j0yB1 TRP 449 HZ3 0.14 0.01 -0.12 -0.04 7.13 7.12 1j0yB1 TRP 449 HH2 -0.00 -0.01 -0.25 -0.04 7.19 6.89 1j0yB1 ASP 450 H 0.19 0.42 -0.58 -0.55 8.40 7.88 1j0yB1 ASP 450 HA 0.10 0.02 0.59 -0.75 4.63 4.59 1j0yB1 ASP 450 HB2 0.08 0.10 0.06 -0.04 2.71 2.92 1j0yB1 ASP 450 HB3 0.14 0.17 0.11 -0.04 2.70 3.07 1j0yB1 THR 451 H -0.01 0.09 0.16 -0.55 8.28 7.97 1j0yB1 THR 451 HA -0.06 0.29 0.74 -0.75 4.39 4.61 1j0yB1 THR 451 HB -0.67 0.00 0.03 -0.04 4.32 3.64 1j0yB1 THR 451 HG23 -0.51 0.04 -0.22 -0.04 1.22 0.50 1j0yB1 LYS 452 H -0.08 -0.08 -0.00 -0.55 8.42 7.70 1j0yB1 LYS 452 HA -0.08 0.25 0.77 -0.75 4.32 4.50 1j0yB1 LYS 452 HB2 -0.06 -0.03 0.06 -0.04 1.87 1.80 1j0yB1 LYS 452 HB3 -0.11 -0.11 0.15 -0.04 1.79 1.69 1j0yB1 LYS 452 HG2 -0.06 0.09 -0.21 -0.04 1.46 1.24 1j0yB1 LYS 452 HG3 -0.05 0.02 0.01 -0.04 1.46 1.40 1j0yB1 LYS 452 HD2 -0.05 -0.03 -0.01 -0.04 1.69 1.56 1j0yB1 LYS 452 HD3 -0.09 -0.03 -0.03 -0.04 1.68 1.49 1j0yB1 LYS 452 HE2 -0.02 0.01 -0.02 -0.04 2.99 2.91 1j0yB1 LYS 452 HE3 -0.02 -0.03 -0.03 -0.04 2.99 2.86 1j0yB1 GLN 453 H -0.21 -0.07 0.05 -0.55 8.47 7.70 1j0yB1 GLN 453 HA -0.06 0.30 1.03 -0.75 4.36 4.87 1j0yB1 GLN 453 HB2 -0.61 -0.04 0.03 -0.04 2.15 1.49 1j0yB1 GLN 453 HB3 -0.14 0.05 0.01 -0.04 2.02 1.90 1j0yB1 GLN 453 HG2 -0.05 0.07 -0.05 -0.04 2.40 2.32 1j0yB1 GLN 453 HG3 -0.12 -0.12 -0.19 -0.04 2.39 1.91 1j0yB1 GLN 453 HE21 -0.05 -0.03 -0.03 -0.04 6.97 6.81 1j0yB1 GLN 453 HE22 -0.42 0.02 -0.03 -0.04 7.69 7.22 1j0yB1 TYR 454 H -0.08 -0.16 -0.08 -0.55 8.29 7.42 1j0yB1 TYR 454 HA -0.01 0.41 0.77 -0.75 4.56 4.98 1j0yB1 TYR 454 HB2 0.03 -0.02 0.06 -0.04 3.06 3.08 1j0yB1 TYR 454 HB3 0.01 0.14 0.07 -0.04 2.98 3.16 1j0yB1 TYR 454 HD2 -0.02 0.19 -0.30 -0.04 7.15 6.98 1j0yB1 TYR 454 HE2 -0.01 -0.03 -0.09 -0.04 6.85 6.68 1j0yB1 PRO 455 HA 0.19 0.13 0.48 -0.51 4.44 4.74 1j0yB1 PRO 455 HB2 0.23 -0.02 -0.10 -0.04 2.28 2.34 1j0yB1 PRO 455 HB3 0.34 -0.01 0.05 -0.04 2.02 2.35 1j0yB1 PRO 455 HG2 -0.12 0.04 -0.23 -0.04 2.03 1.67 1j0yB1 PRO 455 HG3 -0.13 0.06 -0.23 -0.04 2.03 1.70 1j0yB1 PRO 455 HD2 0.02 0.02 -0.72 -0.04 3.68 2.96 1j0yB1 PRO 455 HD3 0.04 -0.13 -0.41 -0.04 3.65 3.11 1j0yB1 ILE 456 H 0.17 0.44 0.35 -0.55 8.25 8.66 1j0yB1 ILE 456 HA 0.12 0.35 0.63 -0.75 4.18 4.52 1j0yB1 ILE 456 HB 0.06 -0.20 0.11 -0.04 1.89 1.81 1j0yB1 ILE 456 HG12 0.03 0.36 -0.16 -0.04 1.49 1.69 1j0yB1 ILE 456 HG13 0.06 0.09 -0.07 -0.04 1.21 1.25 1j0yB1 ILE 456 HG23 0.03 -0.02 -0.21 -0.04 0.93 0.69 1j0yB1 ILE 456 HD13 -0.03 -0.03 0.02 -0.04 0.88 0.79 1j0yB1 GLN 457 H 0.03 0.74 0.33 -0.55 8.47 9.02 1j0yB1 GLN 457 HA -0.66 0.06 0.92 -0.75 4.36 3.93 1j0yB1 GLN 457 HB2 -0.22 -0.03 0.09 -0.04 2.15 1.96 1j0yB1 GLN 457 HB3 -0.20 0.05 0.22 -0.04 2.02 2.04 1j0yB1 GLN 457 HG2 -0.81 0.16 -0.09 -0.04 2.40 1.61 1j0yB1 GLN 457 HG3 -0.99 -0.01 0.11 -0.04 2.39 1.46 1j0yB1 GLN 457 HE21 -0.07 -0.05 0.00 -0.04 6.97 6.80 1j0yB1 GLN 457 HE22 -0.28 -0.05 0.04 -0.04 7.69 7.36 1j0yB1 LEU 458 H -0.36 0.40 0.24 -0.55 8.37 8.11 1j0yB1 LEU 458 HA 0.04 0.14 0.58 -0.75 4.35 4.36 1j0yB1 LEU 458 HB2 0.16 -0.08 -0.14 -0.04 1.64 1.54 1j0yB1 LEU 458 HB3 0.23 -0.06 -0.11 -0.04 1.64 1.66 1j0yB1 LEU 458 HG -0.01 0.03 -0.31 -0.04 1.64 1.31 1j0yB1 LEU 458 HD13 0.15 -0.02 -0.30 -0.04 0.93 0.72 1j0yB1 LEU 458 HD23 0.08 0.01 -0.33 -0.04 0.89 0.61 1j0yB1 TYR 459 H 0.23 0.74 0.41 -0.55 8.29 9.12 1j0yB1 TYR 459 HA -0.00 0.15 0.92 -0.75 4.56 4.87 1j0yB1 TYR 459 HB2 -0.07 0.00 0.09 -0.04 3.06 3.04 1j0yB1 TYR 459 HB3 -0.12 -0.05 0.07 -0.04 2.98 2.84 1j0yB1 TYR 459 HD2 -0.02 -0.06 0.03 -0.04 7.15 7.06 1j0yB1 TYR 459 HE2 -0.01 0.04 0.01 -0.04 6.85 6.86 1j0yB1 TYR 460 H -0.57 0.17 0.18 -0.55 8.29 7.52 1j0yB1 TYR 460 HA -1.20 0.19 0.86 -0.75 4.56 3.66 1j0yB1 TYR 460 HB2 -2.19 0.02 0.08 -0.04 3.06 0.92 1j0yB1 TYR 460 HB3 -0.71 -0.01 0.20 -0.04 2.98 2.41 1j0yB1 TYR 460 HD2 -0.74 0.01 -0.12 -0.04 7.15 6.26 1j0yB1 TYR 460 HE2 -0.14 -0.03 -0.13 -0.04 6.85 6.52 1j0yB1 ASP 461 H -0.57 0.72 0.42 -0.55 8.40 8.43 1j0yB1 ASP 461 HA -0.38 0.10 0.66 -0.75 4.63 4.26 1j0yB1 ASP 461 HB2 -0.18 0.10 0.02 -0.04 2.71 2.61 1j0yB1 ASP 461 HB3 -0.24 -0.03 0.08 -0.04 2.70 2.47 1j0yB1 SER 462 H -0.59 0.33 0.18 -0.55 8.46 7.83 1j0yB1 SER 462 HA -0.75 0.08 0.42 -0.75 4.49 3.50 1j0yB1 SER 462 HB2 -0.31 0.04 0.05 -0.04 3.95 3.68 1j0yB1 SER 462 HB3 -0.28 0.07 0.13 -0.04 3.93 3.81 1j0yB1 HIS 463 H -0.50 0.12 -0.05 -0.55 8.41 7.43 1j0yB1 HIS 463 HA -0.08 0.10 0.32 -0.75 4.63 4.22 1j0yB1 HIS 463 HB2 -0.10 0.00 -0.04 -0.04 3.26 3.09 1j0yB1 HIS 463 HB3 -0.06 0.05 0.06 -0.04 3.20 3.21 1j0yB1 HIS 463 HD2 -0.10 0.02 0.03 -0.04 6.97 6.87 1j0yB1 HIS 463 HE1 -0.04 0.02 0.00 -0.04 7.75 7.68 1j0yB1 SER 464 H -0.17 0.10 -0.65 -0.55 8.46 7.20 1j0yB1 SER 464 HA -0.02 0.19 0.78 -0.75 4.49 4.69 1j0yB1 SER 464 HB2 -0.08 0.00 -0.12 -0.04 3.95 3.71 1j0yB1 SER 464 HB3 -0.02 0.01 0.00 -0.04 3.93 3.88 1j0yB1 ASN 465 H -0.22 0.14 -0.13 -0.55 8.53 7.77 1j0yB1 ASN 465 HA -0.05 -0.03 0.41 -0.75 4.76 4.34 1j0yB1 ASN 465 HB2 0.02 0.05 -0.00 -0.04 2.88 2.91 1j0yB1 ASN 465 HB3 0.03 0.11 0.01 -0.04 2.79 2.91 1j0yB1 ASN 465 HD21 0.07 -0.05 0.04 -0.04 7.03 7.04 1j0yB1 ASN 465 HD22 0.05 0.01 0.05 -0.04 7.74 7.81 1j0yB1 ASP 466 H -0.32 0.42 0.12 -0.55 8.40 8.07 1j0yB1 ASP 466 HA 0.30 -0.02 0.41 -0.75 4.63 4.57 1j0yB1 ASP 466 HB2 0.17 0.13 0.11 -0.04 2.71 3.08 1j0yB1 ASP 466 HB3 0.11 0.17 0.09 -0.04 2.70 3.03 1j0yB1 TRP 467 H 0.38 0.74 0.36 -0.55 7.97 8.90 1j0yB1 TRP 467 HA 0.08 0.24 1.03 -0.75 4.62 5.22 1j0yB1 TRP 467 HB2 0.05 0.03 0.14 -0.04 3.23 3.41 1j0yB1 TRP 467 HB3 0.00 0.03 -0.08 -0.04 3.23 3.15 1j0yB1 TRP 467 HD1 0.06 -0.08 -0.13 -0.04 7.22 7.03 1j0yB1 TRP 467 HE1 -0.22 0.03 -0.10 -0.04 10.20 9.86 1j0yB1 TRP 467 HE3 -0.12 0.05 -0.44 -0.04 7.59 7.04 1j0yB1 TRP 467 HZ2 -0.22 0.03 -0.08 -0.04 7.44 7.13 1j0yB1 TRP 467 HZ3 -0.23 0.23 0.03 -0.04 7.13 7.12 1j0yB1 TRP 467 HH2 -0.12 0.16 0.06 -0.04 7.19 7.25 1j0yB1 ARG 468 H 0.10 0.75 0.45 -0.55 8.46 9.21 1j0yB1 ARG 468 HA 0.15 0.32 0.90 -0.75 4.34 4.95 1j0yB1 ARG 468 HB2 0.07 0.00 0.11 -0.04 1.90 2.04 1j0yB1 ARG 468 HB3 0.07 -0.05 0.05 -0.04 1.80 1.84 1j0yB1 ARG 468 HG2 -0.02 -0.10 -0.20 -0.04 1.67 1.30 1j0yB1 ARG 468 HG3 0.00 0.05 -0.02 -0.04 1.67 1.66 1j0yB1 ARG 468 HD2 -0.04 -0.07 -0.10 -0.04 3.22 2.97 1j0yB1 ARG 468 HD3 0.01 0.04 -0.13 -0.04 3.22 3.10 1j0yB1 GLY 469 H 0.10 0.47 0.38 -0.55 8.43 8.84 1j0yB1 GLY 469 HA2 0.14 0.06 0.51 -0.51 4.01 4.20 1j0yB1 GLY 469 HA3 0.14 0.16 0.37 -0.51 4.01 4.17 1j0yB1 ASN 470 H 0.06 0.22 0.13 -0.55 8.53 8.39 1j0yB1 ASN 470 HA 0.05 0.25 0.98 -0.75 4.76 5.28 1j0yB1 ASN 470 HB2 0.01 -0.00 0.21 -0.04 2.88 3.06 1j0yB1 ASN 470 HB3 0.01 0.03 0.04 -0.04 2.79 2.84 1j0yB1 ASN 470 HD21 -0.01 -0.02 -0.06 -0.04 7.03 6.90 1j0yB1 ASN 470 HD22 -0.01 0.01 0.02 -0.04 7.74 7.72 1j0yB1 VAL 471 H 0.05 0.56 0.22 -0.55 8.24 8.52 1j0yB1 VAL 471 HA 0.01 0.18 0.89 -0.75 4.13 4.44 1j0yB1 VAL 471 HB 0.01 -0.07 -0.07 -0.04 2.12 1.95 1j0yB1 VAL 471 HG13 -0.05 0.05 -0.20 -0.04 0.97 0.72 1j0yB1 VAL 471 HG23 0.03 0.01 -0.28 -0.04 0.95 0.67 1j0yB1 VAL 472 H -0.03 0.19 0.12 -0.55 8.24 7.97 1j0yB1 VAL 472 HA -0.06 0.12 0.47 -0.75 4.13 3.91 1j0yB1 VAL 472 HB -0.05 0.04 0.08 -0.04 2.12 2.14 1j0yB1 VAL 472 HG13 -0.07 -0.00 -0.38 -0.04 0.97 0.47 1j0yB1 VAL 472 HG23 -0.02 -0.01 -0.06 -0.04 0.95 0.81 1j0yB1 LEU 473 H -0.14 0.69 0.25 -0.55 8.37 8.63 1j0yB1 LEU 473 HA -0.20 0.20 0.84 -0.75 4.35 4.44 1j0yB1 LEU 473 HB2 -0.23 0.04 -0.07 -0.04 1.64 1.34 1j0yB1 LEU 473 HB3 -0.22 0.04 -0.03 -0.04 1.64 1.39 1j0yB1 LEU 473 HG -0.13 -0.09 -0.15 -0.04 1.64 1.22 1j0yB1 LEU 473 HD13 -0.16 0.05 -0.29 -0.04 0.93 0.49 1j0yB1 LEU 473 HD23 -0.04 0.03 -0.30 -0.04 0.89 0.54 1j0yB1 PRO 474 HA -0.24 0.15 0.45 -0.51 4.44 4.29 1j0yB1 PRO 474 HB2 -0.23 0.10 -0.09 -0.04 2.28 2.03 1j0yB1 PRO 474 HB3 -0.37 0.04 -0.03 -0.04 2.02 1.62 1j0yB1 PRO 474 HG2 -0.21 -0.02 0.06 -0.04 2.03 1.82 1j0yB1 PRO 474 HG3 -0.25 -0.06 0.00 -0.04 2.03 1.68 1j0yB1 PRO 474 HD2 -0.23 0.04 0.12 -0.04 3.68 3.57 1j0yB1 PRO 474 HD3 -0.33 0.12 0.04 -0.04 3.65 3.44 1j0yB1 ALA 475 H -0.16 0.72 0.28 -0.55 8.40 8.69 1j0yB1 ALA 475 HA -0.22 0.03 0.33 -0.75 4.34 3.73 1j0yB1 ALA 475 HB3 -0.13 -0.02 0.05 -0.04 1.41 1.27 1j0yB1 GLU 476 H -0.19 0.64 0.14 -0.55 8.60 8.65 1j0yB1 GLU 476 HA -0.11 0.02 0.30 -0.75 4.29 3.74 1j0yB1 GLU 476 HB2 -0.08 0.25 -0.02 -0.04 2.09 2.19 1j0yB1 GLU 476 HB3 -0.06 -0.08 0.18 -0.04 1.99 1.99 1j0yB1 GLU 476 HG2 -0.07 -0.05 0.01 -0.04 2.34 2.18 1j0yB1 GLU 476 HG3 -0.09 -0.05 -0.25 -0.04 2.34 1.91 1j0yB1 ARG 477 H -0.15 0.22 -0.08 -0.55 8.46 7.90 1j0yB1 ARG 477 HA -0.07 0.17 0.90 -0.75 4.34 4.59 1j0yB1 ARG 477 HB2 -0.14 0.05 -0.07 -0.04 1.90 1.70 1j0yB1 ARG 477 HB3 -0.10 -0.03 -0.01 -0.04 1.80 1.61 1j0yB1 ARG 477 HG2 -0.14 0.18 -0.50 -0.04 1.67 1.17 1j0yB1 ARG 477 HG3 -0.16 -0.02 -0.12 -0.04 1.67 1.33 1j0yB1 ARG 477 HD2 -0.09 -0.12 0.06 -0.04 3.22 3.02 1j0yB1 ARG 477 HD3 -0.09 0.15 0.00 -0.04 3.22 3.24 1j0yB1 ASN 478 H -0.03 0.16 0.13 -0.55 8.53 8.25 1j0yB1 ASN 478 HA 0.04 0.19 0.90 -0.75 4.76 5.14 1j0yB1 ASN 478 HB2 0.02 -0.01 0.17 -0.04 2.88 3.01 1j0yB1 ASN 478 HB3 0.05 -0.01 -0.01 -0.04 2.79 2.79 1j0yB1 ASN 478 HD21 0.04 0.04 -0.05 -0.04 7.03 7.02 1j0yB1 ASN 478 HD22 0.05 -0.02 -0.02 -0.04 7.74 7.70 1j0yB1 ILE 479 H 0.12 0.59 0.32 -0.55 8.25 8.74 1j0yB1 ILE 479 HA 0.03 0.16 0.95 -0.75 4.18 4.56 1j0yB1 ILE 479 HB 0.00 -0.07 -0.01 -0.04 1.89 1.77 1j0yB1 ILE 479 HG12 0.13 0.18 0.08 -0.04 1.49 1.83 1j0yB1 ILE 479 HG13 0.28 -0.21 -0.09 -0.04 1.21 1.15 1j0yB1 ILE 479 HG23 -0.08 0.04 -0.25 -0.04 0.93 0.59 1j0yB1 ILE 479 HD13 -0.04 0.01 -0.17 -0.04 0.88 0.64 1j0yB1 GLU 480 H 0.06 0.13 0.24 -0.55 8.60 8.48 1j0yB1 GLU 480 HA 0.19 0.32 1.00 -0.75 4.29 5.05 1j0yB1 GLU 480 HB2 0.20 -0.12 0.09 -0.04 2.09 2.22 1j0yB1 GLU 480 HB3 0.30 0.06 -0.01 -0.04 1.99 2.30 1j0yB1 GLU 480 HG2 0.11 0.08 -0.04 -0.04 2.34 2.45 1j0yB1 GLU 480 HG3 0.12 0.05 -0.29 -0.04 2.34 2.19 1j0yB1 PHE 481 H -0.07 0.89 0.33 -0.55 8.34 8.94 1j0yB1 PHE 481 HA -0.21 0.12 0.86 -0.75 4.62 4.64 1j0yB1 PHE 481 HB2 -0.02 0.11 0.05 -0.04 3.15 3.25 1j0yB1 PHE 481 HB3 -0.14 -0.05 -0.29 -0.04 3.06 2.53 1j0yB1 PHE 481 HD2 -0.01 -0.07 -0.38 -0.04 7.28 6.78 1j0yB1 PHE 481 HE2 -0.20 -0.01 -0.33 -0.04 7.38 6.80 1j0yB1 PHE 481 HZ -1.21 0.03 -0.19 -0.04 7.32 5.90 1j0yB1 LYS 482 H 0.46 0.56 0.38 -0.55 8.42 9.27 1j0yB1 LYS 482 HA 0.05 0.05 0.72 -0.75 4.32 4.38 1j0yB1 LYS 482 HB2 0.71 -0.02 -0.02 -0.04 1.87 2.50 1j0yB1 LYS 482 HB3 0.37 0.08 0.09 -0.04 1.79 2.28 1j0yB1 LYS 482 HG2 0.05 0.06 0.17 -0.04 1.46 1.70 1j0yB1 LYS 482 HG3 0.26 -0.07 -0.26 -0.04 1.46 1.34 1j0yB1 LYS 482 HD2 -0.05 0.23 -0.29 -0.04 1.69 1.54 1j0yB1 LYS 482 HD3 -0.10 -0.12 -0.23 -0.04 1.68 1.19 1j0yB1 LYS 482 HE2 -0.41 -0.08 -0.10 -0.04 2.99 2.36 1j0yB1 LYS 482 HE3 0.25 -0.04 -0.06 -0.04 2.99 3.10 1j0yB1 ALA 483 H 0.14 0.10 0.22 -0.55 8.40 8.31 1j0yB1 ALA 483 HA 0.20 0.43 1.01 -0.75 4.34 5.23 1j0yB1 ALA 483 HB3 0.26 -0.02 0.05 -0.04 1.41 1.66 1j0yB1 PHE 484 H -0.23 0.55 0.35 -0.55 8.34 8.45 1j0yB1 PHE 484 HA 0.13 0.09 0.78 -0.75 4.62 4.87 1j0yB1 PHE 484 HB2 -1.11 0.08 0.08 -0.04 3.15 2.16 1j0yB1 PHE 484 HB3 -1.58 -0.01 -0.17 -0.04 3.06 1.26 1j0yB1 PHE 484 HD2 -0.36 0.07 -0.36 -0.04 7.28 6.59 1j0yB1 PHE 484 HE2 -0.19 0.05 -0.28 -0.04 7.38 6.92 1j0yB1 PHE 484 HZ -0.37 0.11 -0.12 -0.04 7.32 6.90 1j0yB1 ILE 485 H 0.20 0.60 0.32 -0.55 8.25 8.82 1j0yB1 ILE 485 HA -0.28 0.30 0.97 -0.75 4.18 4.41 1j0yB1 ILE 485 HB -0.06 -0.11 0.14 -0.04 1.89 1.82 1j0yB1 ILE 485 HG12 -0.64 0.03 -0.19 -0.04 1.49 0.65 1j0yB1 ILE 485 HG13 -0.57 -0.04 -0.22 -0.04 1.21 0.34 1j0yB1 ILE 485 HG23 -0.20 -0.01 -0.15 -0.04 0.93 0.52 1j0yB1 ILE 485 HD13 -0.65 -0.02 -0.24 -0.04 0.88 -0.06 1j0yB1 LYS 486 H -0.12 0.83 0.33 -0.55 8.42 8.91 1j0yB1 LYS 486 HA 0.03 0.13 0.83 -0.75 4.32 4.56 1j0yB1 LYS 486 HB2 0.05 0.03 -0.14 -0.04 1.87 1.77 1j0yB1 LYS 486 HB3 0.14 0.00 0.09 -0.04 1.79 1.98 1j0yB1 LYS 486 HG2 0.01 -0.05 -0.14 -0.04 1.46 1.23 1j0yB1 LYS 486 HG3 0.02 -0.06 -0.24 -0.04 1.46 1.13 1j0yB1 LYS 486 HD2 -0.59 0.02 -0.15 -0.04 1.69 0.93 1j0yB1 LYS 486 HD3 -0.11 0.00 -0.11 -0.04 1.68 1.43 1j0yB1 LYS 486 HE2 -0.07 -0.06 -0.08 -0.04 2.99 2.75 1j0yB1 LYS 486 HE3 -0.10 0.01 -0.08 -0.04 2.99 2.78 1j0yB1 SER 487 H -0.01 0.82 0.31 -0.55 8.46 9.04 1j0yB1 SER 487 HA -0.03 0.06 0.48 -0.75 4.49 4.24 1j0yB1 SER 487 HB2 -0.01 0.08 0.12 -0.04 3.95 4.10 1j0yB1 SER 487 HB3 -0.01 -0.11 0.13 -0.04 3.93 3.90 1j0yB1 LYS 488 H -0.01 0.09 0.09 -0.55 8.42 8.04 1j0yB1 LYS 488 HA 0.01 0.31 0.43 -0.75 4.32 4.31 1j0yB1 LYS 488 HB2 -0.01 0.01 0.21 -0.04 1.87 2.04 1j0yB1 LYS 488 HB3 -0.00 -0.10 0.12 -0.04 1.79 1.76 1j0yB1 LYS 488 HG2 0.01 0.07 0.12 -0.04 1.46 1.61 1j0yB1 LYS 488 HG3 0.00 -0.05 0.07 -0.04 1.46 1.44 1j0yB1 LYS 488 HD2 0.01 0.03 -0.39 -0.04 1.69 1.30 1j0yB1 LYS 488 HD3 0.01 -0.00 -0.06 -0.04 1.68 1.59 1j0yB1 LYS 488 HE2 0.00 -0.01 -0.01 -0.04 2.99 2.93 1j0yB1 LYS 488 HE3 0.00 -0.04 -0.03 -0.04 2.99 2.88 1j0yB1 ASP 489 H 0.00 -0.03 -0.27 -0.55 8.40 7.55 1j0yB1 ASP 489 HA 0.01 0.16 0.54 -0.75 4.63 4.59 1j0yB1 ASP 489 HB2 0.00 0.04 0.06 -0.04 2.71 2.77 1j0yB1 ASP 489 HB3 0.00 -0.04 0.02 -0.04 2.70 2.63 1j0yB1 GLY 490 H 0.01 0.43 -0.46 -0.55 8.43 7.86 1j0yB1 GLY 490 HA2 0.00 0.10 0.19 -0.51 4.01 3.79 1j0yB1 GLY 490 HA3 0.00 0.16 0.69 -0.51 4.01 4.34 1j0yB1 THR 491 H -0.00 0.09 0.10 -0.55 8.28 7.92 1j0yB1 THR 491 HA -0.02 0.24 0.87 -0.75 4.39 4.74 1j0yB1 THR 491 HB -0.00 -0.07 -0.11 -0.04 4.32 4.10 1j0yB1 THR 491 HG23 -0.00 0.04 -0.04 -0.04 1.22 1.17 1j0yB1 VAL 492 H -0.03 0.17 0.08 -0.55 8.24 7.90 1j0yB1 VAL 492 HA -0.01 0.23 0.61 -0.75 4.13 4.21 1j0yB1 VAL 492 HB -0.03 -0.04 0.14 -0.04 2.12 2.15 1j0yB1 VAL 492 HG13 -0.33 0.00 -0.16 -0.04 0.97 0.44 1j0yB1 VAL 492 HG23 -0.22 0.01 0.00 -0.04 0.95 0.70 1j0yB1 LYS 493 H 0.00 0.46 0.36 -0.55 8.42 8.68 1j0yB1 LYS 493 HA 0.02 0.05 0.55 -0.75 4.32 4.19 1j0yB1 LYS 493 HB2 -0.02 -0.08 0.06 -0.04 1.87 1.80 1j0yB1 LYS 493 HB3 -0.02 -0.03 0.05 -0.04 1.79 1.75 1j0yB1 LYS 493 HG2 0.02 0.03 -0.23 -0.04 1.46 1.24 1j0yB1 LYS 493 HG3 0.01 -0.01 0.03 -0.04 1.46 1.44 1j0yB1 LYS 493 HD2 -0.08 0.00 -0.04 -0.04 1.69 1.53 1j0yB1 LYS 493 HD3 -0.04 0.02 -0.02 -0.04 1.68 1.59 1j0yB1 LYS 493 HE2 -0.02 0.01 0.00 -0.04 2.99 2.94 1j0yB1 LYS 493 HE3 -0.04 -0.05 -0.02 -0.04 2.99 2.84 1j0yB1 SER 494 H 0.06 0.27 0.20 -0.55 8.46 8.44 1j0yB1 SER 494 HA 0.20 0.11 0.42 -0.75 4.49 4.47 1j0yB1 SER 494 HB2 0.36 0.05 0.10 -0.04 3.95 4.41 1j0yB1 SER 494 HB3 0.18 0.16 0.01 -0.04 3.93 4.24 1j0yB1 TRP 495 H 0.35 0.18 0.14 -0.55 7.97 8.10 1j0yB1 TRP 495 HA 0.12 0.18 1.08 -0.75 4.62 5.24 1j0yB1 TRP 495 HB2 -0.09 -0.04 -0.01 -0.04 3.23 3.05 1j0yB1 TRP 495 HB3 -0.13 0.14 0.01 -0.04 3.23 3.21 1j0yB1 TRP 495 HD1 -0.02 -0.04 -0.14 -0.04 7.22 6.97 1j0yB1 TRP 495 HE1 -0.11 -0.01 -0.11 -0.04 10.20 9.93 1j0yB1 TRP 495 HE3 0.11 0.05 -0.14 -0.04 7.59 7.56 1j0yB1 TRP 495 HZ2 -0.25 -0.01 -0.10 -0.04 7.44 7.03 1j0yB1 TRP 495 HZ3 0.40 0.04 -0.16 -0.04 7.13 7.36 1j0yB1 TRP 495 HH2 0.05 0.04 -0.18 -0.04 7.19 7.06 1j0yB1 GLN 496 H -0.17 0.55 0.29 -0.55 8.47 8.59 1j0yB1 GLN 496 HA -2.19 0.05 0.50 -0.75 4.36 1.97 1j0yB1 GLN 496 HB2 -0.47 -0.01 0.21 -0.04 2.15 1.83 1j0yB1 GLN 496 HB3 -0.18 -0.04 0.23 -0.04 2.02 1.99 1j0yB1 GLN 496 HG2 -0.25 0.02 0.01 -0.04 2.40 2.14 1j0yB1 GLN 496 HG3 -0.38 -0.04 0.14 -0.04 2.39 2.07 1j0yB1 GLN 496 HE21 0.08 -0.06 -0.17 -0.04 6.97 6.78 1j0yB1 GLN 496 HE22 0.06 0.31 -0.36 -0.04 7.69 7.65 1j0yB1 THR 497 H -0.66 0.59 0.22 -0.55 8.28 7.88 1j0yB1 THR 497 HA -0.20 0.02 0.29 -0.75 4.39 3.75 1j0yB1 THR 497 HB -0.14 -0.06 0.11 -0.04 4.32 4.19 1j0yB1 THR 497 HG23 -0.07 -0.02 -0.04 -0.04 1.22 1.04 1j0yB1 ILE 498 H -0.17 0.13 -0.04 -0.55 8.25 7.62 1j0yB1 ILE 498 HA -0.10 0.19 1.02 -0.75 4.18 4.53 1j0yB1 ILE 498 HB -0.08 -0.00 -0.04 -0.04 1.89 1.72 1j0yB1 ILE 498 HG12 -0.08 -0.07 -0.03 -0.04 1.49 1.26 1j0yB1 ILE 498 HG13 -0.05 -0.01 -0.01 -0.04 1.21 1.10 1j0yB1 ILE 498 HG23 -0.06 0.04 0.01 -0.04 0.93 0.88 1j0yB1 ILE 498 HD13 -0.06 0.04 -0.16 -0.04 0.88 0.65 1j0yB1 GLN 499 H -0.09 0.10 0.14 -0.55 8.47 8.07 1j0yB1 GLN 499 HA -0.06 0.11 0.61 -0.75 4.36 4.27 1j0yB1 GLN 499 HB2 -0.08 -0.02 0.09 -0.04 2.15 2.10 1j0yB1 GLN 499 HB3 -0.04 -0.05 0.13 -0.04 2.02 2.02 1j0yB1 GLN 499 HG2 0.08 0.18 -0.06 -0.04 2.40 2.56 1j0yB1 GLN 499 HG3 0.19 -0.00 -0.08 -0.04 2.39 2.46 1j0yB1 GLN 499 HE21 0.11 -0.04 -0.05 -0.04 6.97 6.95 1j0yB1 GLN 499 HE22 0.09 0.04 -0.08 -0.04 7.69 7.70 1j0yB1 GLN 500 H -0.30 0.46 0.47 -0.55 8.47 8.55 1j0yB1 GLN 500 HA -0.19 0.07 0.64 -0.75 4.36 4.14 1j0yB1 GLN 500 HB2 -1.62 -0.00 -0.01 -0.04 2.15 0.48 1j0yB1 GLN 500 HB3 -0.63 -0.00 0.04 -0.04 2.02 1.39 1j0yB1 GLN 500 HG2 -0.26 0.06 0.10 -0.04 2.40 2.26 1j0yB1 GLN 500 HG3 -0.17 -0.04 -0.03 -0.04 2.39 2.11 1j0yB1 GLN 500 HE21 -0.07 -0.08 -0.10 -0.04 6.97 6.68 1j0yB1 GLN 500 HE22 -0.11 0.26 -0.06 -0.04 7.69 7.73 1j0yB1 SER 501 H -0.03 0.25 0.23 -0.55 8.46 8.37 1j0yB1 SER 501 HA 0.20 0.13 0.68 -0.75 4.49 4.74 1j0yB1 SER 501 HB2 0.14 0.06 0.11 -0.04 3.95 4.22 1j0yB1 SER 501 HB3 0.06 0.03 -0.12 -0.04 3.93 3.86 1j0yB1 TRP 502 H 0.33 0.60 0.13 -0.55 7.97 8.48 1j0yB1 TRP 502 HA 0.17 0.12 0.62 -0.75 4.62 4.78 1j0yB1 TRP 502 HB2 0.06 -0.05 -0.15 -0.04 3.23 3.05 1j0yB1 TRP 502 HB3 0.02 -0.02 0.03 -0.04 3.23 3.22 1j0yB1 TRP 502 HD1 0.12 0.01 -0.02 -0.04 7.22 7.29 1j0yB1 TRP 502 HE1 0.10 -0.01 0.03 -0.04 10.20 10.28 1j0yB1 TRP 502 HE3 -0.20 -0.03 -0.12 -0.04 7.59 7.20 1j0yB1 TRP 502 HZ2 0.08 -0.02 -0.13 -0.04 7.44 7.32 1j0yB1 TRP 502 HZ3 -0.08 0.01 -0.16 -0.04 7.13 6.87 1j0yB1 TRP 502 HH2 0.05 -0.05 -0.18 -0.04 7.19 6.97 1j0yB1 ASN 503 H 0.29 0.20 -0.04 -0.55 8.53 8.44 1j0yB1 ASN 503 HA 0.11 0.13 1.07 -0.75 4.76 5.32 1j0yB1 ASN 503 HB2 0.11 0.02 0.18 -0.04 2.88 3.14 1j0yB1 ASN 503 HB3 0.08 0.02 0.05 -0.04 2.79 2.89 1j0yB1 ASN 503 HD21 0.10 0.02 -0.10 -0.04 7.03 7.01 1j0yB1 ASN 503 HD22 0.11 0.03 -0.05 -0.04 7.74 7.78 1j0yB1 PRO 504 HA 0.03 0.26 0.14 -0.51 4.44 4.36 1j0yB1 PRO 504 HB2 -0.09 -0.04 -0.30 -0.04 2.28 1.81 1j0yB1 PRO 504 HB3 -0.02 -0.03 -0.36 -0.04 2.02 1.57 1j0yB1 PRO 504 HG2 -0.07 0.07 -0.24 -0.04 2.03 1.75 1j0yB1 PRO 504 HG3 -0.03 0.04 -0.08 -0.04 2.03 1.92 1j0yB1 PRO 504 HD2 0.02 0.03 0.12 -0.04 3.68 3.82 1j0yB1 PRO 504 HD3 0.03 0.11 0.25 -0.04 3.65 4.00 1j0yB1 VAL 505 H -0.19 0.49 0.18 -0.55 8.24 8.18 1j0yB1 VAL 505 HA -1.27 0.04 0.48 -0.75 4.13 2.63 1j0yB1 VAL 505 HB -0.34 0.05 0.17 -0.04 2.12 1.96 1j0yB1 VAL 505 HG13 -0.77 0.03 -0.19 -0.04 0.97 0.01 1j0yB1 VAL 505 HG23 -0.24 0.03 0.04 -0.04 0.95 0.73 1j0yB1 PRO 506 HA -0.17 0.01 0.52 -0.51 4.44 4.29 1j0yB1 PRO 506 HB2 -0.09 -0.01 0.04 -0.04 2.28 2.18 1j0yB1 PRO 506 HB3 -0.06 0.01 0.11 -0.04 2.02 2.04 1j0yB1 PRO 506 HG2 -0.38 0.12 0.04 -0.04 2.03 1.76 1j0yB1 PRO 506 HG3 -0.03 -0.02 0.07 -0.04 2.03 2.00 1j0yB1 PRO 506 HD2 -1.96 0.05 0.19 -0.04 3.68 1.92 1j0yB1 PRO 506 HD3 -0.98 0.18 0.21 -0.04 3.65 3.02 1j0yB1 LEU 507 H -0.10 0.10 0.16 -0.55 8.37 7.98 1j0yB1 LEU 507 HA -0.12 0.13 0.41 -0.75 4.35 4.02 1j0yB1 LEU 507 HB2 -0.07 -0.00 0.11 -0.04 1.64 1.64 1j0yB1 LEU 507 HB3 -0.05 -0.05 0.07 -0.04 1.64 1.56 1j0yB1 LEU 507 HG -0.05 -0.00 -0.01 -0.04 1.64 1.54 1j0yB1 LEU 507 HD13 -0.07 0.02 0.03 -0.04 0.93 0.87 1j0yB1 LEU 507 HD23 -0.03 -0.00 -0.00 -0.04 0.89 0.81 1j0yB1 LYS 508 H -0.07 -0.02 -0.24 -0.55 8.42 7.53 1j0yB1 LYS 508 HA -0.04 0.15 0.73 -0.75 4.32 4.41 1j0yB1 LYS 508 HB2 -0.01 -0.05 -0.01 -0.04 1.87 1.76 1j0yB1 LYS 508 HB3 -0.01 0.06 -0.04 -0.04 1.79 1.77 1j0yB1 LYS 508 HG2 -0.02 0.07 -0.07 -0.04 1.46 1.40 1j0yB1 LYS 508 HG3 -0.03 -0.11 -0.08 -0.04 1.46 1.21 1j0yB1 LYS 508 HD2 -0.00 -0.03 -0.01 -0.04 1.69 1.61 1j0yB1 LYS 508 HD3 0.00 0.02 -0.02 -0.04 1.68 1.64 1j0yB1 LYS 508 HE2 -0.01 0.03 -0.02 -0.04 2.99 2.95 1j0yB1 LYS 508 HE3 -0.01 -0.02 -0.02 -0.04 2.99 2.91 1j0yB1 THR 509 H -0.02 0.10 0.13 -0.55 8.28 7.94 1j0yB1 THR 509 HA -0.02 0.16 0.44 -0.75 4.39 4.21 1j0yB1 THR 509 HB 0.00 -0.11 0.17 -0.04 4.32 4.35 1j0yB1 THR 509 HG23 0.03 -0.00 -0.15 -0.04 1.22 1.05 1j0yB1 THR 510 H 0.10 0.14 0.18 -0.55 8.28 8.14 1j0yB1 THR 510 HA 0.10 0.14 0.75 -0.75 4.39 4.62 1j0yB1 THR 510 HB 0.35 -0.02 0.21 -0.04 4.32 4.82 1j0yB1 THR 510 HG23 0.12 -0.01 0.11 -0.04 1.22 1.41 1j0yB1 SER 511 H 0.24 0.29 0.24 -0.55 8.46 8.68 1j0yB1 SER 511 HA 0.27 0.27 0.78 -0.75 4.49 5.05 1j0yB1 SER 511 HB2 0.07 -0.01 -0.05 -0.04 3.95 3.92 1j0yB1 SER 511 HB3 0.10 0.06 -0.05 -0.04 3.93 4.00 1j0yB1 HIS 512 H 0.04 0.65 0.35 -0.55 8.41 8.91 1j0yB1 HIS 512 HA -0.44 0.14 0.94 -0.75 4.63 4.52 1j0yB1 HIS 512 HB2 -2.19 0.02 0.03 -0.04 3.26 1.09 1j0yB1 HIS 512 HB3 -0.45 -0.06 0.22 -0.04 3.20 2.87 1j0yB1 HIS 512 HD2 -1.95 -0.01 0.04 -0.04 6.97 5.01 1j0yB1 HIS 512 HE1 -0.18 -0.09 -0.04 -0.04 7.75 7.40 1j0yB1 THR 513 H -0.27 0.21 0.11 -0.55 8.28 7.78 1j0yB1 THR 513 HA 0.02 0.29 1.06 -0.75 4.39 5.00 1j0yB1 THR 513 HB -0.06 -0.01 0.08 -0.04 4.32 4.28 1j0yB1 THR 513 HG23 0.02 -0.01 -0.07 -0.04 1.22 1.12 1j0yB1 SER 514 H 0.07 0.69 0.41 -0.55 8.46 9.09 1j0yB1 SER 514 HA -0.02 0.10 0.71 -0.75 4.49 4.53 1j0yB1 SER 514 HB2 0.02 0.01 0.14 -0.04 3.95 4.08 1j0yB1 SER 514 HB3 0.04 0.05 -0.11 -0.04 3.93 3.86 1j0yB1 SER 515 H 0.03 0.18 0.21 -0.55 8.46 8.34 1j0yB1 SER 515 HA 0.14 0.27 1.01 -0.75 4.49 5.15 1j0yB1 SER 515 HB2 0.05 -0.01 0.10 -0.04 3.95 4.05 1j0yB1 SER 515 HB3 0.11 0.00 0.05 -0.04 3.93 4.05 1j0yB1 TRP 516 H 0.32 0.56 0.16 -0.55 7.97 8.47 1j0yB1 TRP 516 HA 0.03 0.05 0.23 -0.75 4.62 4.17 1j0yB1 TRP 516 HB2 0.02 -0.03 -0.25 -0.04 3.23 2.93 1j0yB1 TRP 516 HB3 0.02 0.18 0.06 -0.04 3.23 3.45 1j0yB1 TRP 516 HD1 0.01 0.01 0.07 -0.04 7.22 7.28 1j0yB1 TRP 516 HE1 0.02 0.01 -0.02 -0.04 10.20 10.17 1j0yB1 TRP 516 HE3 -0.02 -0.00 -0.17 -0.04 7.59 7.36 1j0yB1 TRP 516 HZ2 0.00 -0.04 -0.44 -0.04 7.44 6.92 1j0yB1 TRP 516 HZ3 -0.10 -0.04 -0.44 -0.04 7.13 6.51 1j0yB1 TRP 516 HH2 -0.08 -0.05 -0.26 -0.04 7.19 6.75