============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 72 rings ring int. center anis. iso. PHE 23 1.000 -10.030 3.013 35.929 -99.200 -91.000 HIS 33 0.900 -2.271 16.713 37.181 -99.200 -91.000 HIS 50 0.900 13.940 20.890 19.281 -99.200 -91.000 PHE 52 1.000 16.540 19.298 12.984 -99.200 -91.000 HIS 54 0.900 22.625 16.587 5.050 -99.200 -91.000 TRP 73 1.040 -3.357 30.308 3.358 -99.200 -91.000 TRP6 73 1.020 -3.801 31.109 1.181 -99.200 -91.000 PHE 75 1.000 1.867 35.266 8.873 -99.200 -91.000 PHE 85 1.000 13.473 40.891 -1.031 -99.200 -91.000 PHE 94 1.000 11.535 41.936 3.235 -99.200 -91.000 PHE 96 1.000 9.051 39.012 0.317 -99.200 -91.000 TYR 100 0.840 0.005 43.416 -1.773 -99.200 -91.000 PHE 102 1.000 -6.712 37.891 5.696 -99.200 -91.000 PHE 103 1.000 -7.472 44.527 -0.003 -99.200 -91.000 TRP 104 1.040 -4.232 42.716 -3.531 -99.200 -91.000 TRP6 104 1.020 -5.964 43.969 -4.543 -99.200 -91.000 TYR 111 0.840 -15.601 38.346 -9.717 -99.200 -91.000 PHE 112 1.000 -13.998 29.842 -7.004 -99.200 -91.000 PHE 113 1.000 -16.338 30.170 -1.757 -99.200 -91.000 PHE 117 1.000 -22.345 31.814 -2.912 -99.200 -91.000 PHE 134 1.000 -17.104 22.266 1.275 -99.200 -91.000 TRP 146 1.040 2.289 26.362 -4.929 -99.200 -91.000 TRP6 146 1.020 3.860 27.579 -3.653 -99.200 -91.000 TYR 156 0.840 -4.291 41.434 -6.933 -99.200 -91.000 PHE 164 1.000 -1.975 46.593 3.269 -99.200 -91.000 TYR 168 0.840 -8.345 44.216 17.391 -99.200 -91.000 HIS 182 0.900 -25.767 38.230 7.807 -99.200 -91.000 PHE 187 1.000 -23.460 40.195 -1.141 -99.200 -91.000 HIS 196 0.900 -36.618 29.760 -9.817 -99.200 -91.000 PHE 216 1.000 -12.336 45.212 -3.606 -99.200 -91.000 PHE 230 1.000 6.408 48.784 -2.613 -99.200 -91.000 TRP 232 1.040 11.729 48.124 2.135 -99.200 -91.000 TRP6 232 1.020 13.221 46.537 1.205 -99.200 -91.000 TYR 234 0.840 16.912 48.110 1.696 -99.200 -91.000 TYR 241 0.840 18.192 55.997 2.329 -99.200 -91.000 PHE 252 1.000 9.842 44.637 -3.624 -99.200 -91.000 TYR 253 0.840 6.451 37.398 -8.120 -99.200 -91.000 HIS 256 0.900 13.725 45.047 -7.205 -99.200 -91.000 PHE 261 1.000 10.135 30.938 -3.667 -99.200 -91.000 HIS 277 0.900 -8.702 9.583 -4.046 -99.200 -91.000 HIS 279 0.900 0.996 6.387 -4.535 -99.200 -91.000 TYR 283 0.840 -6.062 11.725 -7.638 -99.200 -91.000 TYR 287 0.840 -18.179 24.426 -7.758 -99.200 -91.000 TYR 299 0.840 -4.710 19.033 -3.745 -99.200 -91.000 PHE 306 1.000 8.708 12.102 -5.993 -99.200 -91.000 TRP 322 1.040 3.293 26.766 1.583 -99.200 -91.000 TRP6 322 1.020 1.626 25.156 1.090 -99.200 -91.000 PHE 323 1.000 5.690 20.937 6.738 -99.200 -91.000 HIS 330 0.900 -0.332 10.520 17.601 -99.200 -91.000 PHE 331 1.000 2.243 20.856 17.720 -99.200 -91.000 TYR 343 0.840 1.209 13.709 23.449 -99.200 -91.000 HIS 345 0.900 -3.004 9.275 23.374 -99.200 -91.000 PHE 349 1.000 -6.469 8.508 28.428 -99.200 -91.000 PHE 364 1.000 -14.269 4.888 7.979 -99.200 -91.000 HIS 371 0.900 0.004 25.616 10.930 -99.200 -91.000 PHE 375 1.000 8.996 19.431 6.267 -99.200 -91.000 PHE 388 1.000 15.488 11.727 3.712 -99.200 -91.000 TRP 391 1.040 11.729 15.032 7.876 -99.200 -91.000 TRP6 391 1.020 12.489 15.221 5.643 -99.200 -91.000 TRP 397 1.040 0.924 28.635 15.055 -99.200 -91.000 TRP6 397 1.020 0.514 26.450 15.867 -99.200 -91.000 HIS 401 0.900 4.907 26.407 18.245 -99.200 -91.000 HIS 403 0.900 14.997 24.691 20.454 -99.200 -91.000 TYR 406 0.840 12.885 27.709 13.222 -99.200 -91.000 TRP 413 1.040 3.587 14.045 13.693 -99.200 -91.000 TRP6 413 1.020 2.957 15.664 12.090 -99.200 -91.000 PHE 414 1.000 7.775 14.300 5.322 -99.200 -91.000 TYR 417 0.840 -1.112 12.049 11.995 -99.200 -91.000 TYR 419 0.840 -2.863 14.200 5.538 -99.200 -91.000 HIS 427 0.900 15.494 20.455 -5.953 -99.200 -91.000 TRP 446 1.040 -18.206 16.120 -0.001 -99.200 -91.000 TRP6 446 1.020 -19.828 16.657 -1.641 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1cb5A1 SER 2 HA 0.00 -0.00 0.20 -0.75 4.49 3.93 1cb5A1 SER 2 HB2 0.00 0.03 0.09 -0.04 3.95 4.03 1cb5A1 SER 2 HB3 0.00 0.04 0.09 -0.04 3.93 4.02 1cb5A1 SER 3 H 0.00 0.10 0.09 -0.55 8.46 8.10 1cb5A1 SER 3 HA 0.00 0.13 0.60 -0.75 4.49 4.47 1cb5A1 SER 3 HB2 0.00 -0.03 0.09 -0.04 3.95 3.97 1cb5A1 SER 3 HB3 0.00 -0.01 0.07 -0.04 3.93 3.95 1cb5A1 SER 4 H 0.00 0.13 -0.53 -0.55 8.46 7.52 1cb5A1 SER 4 HA 0.00 0.12 0.73 -0.75 4.49 4.59 1cb5A1 SER 4 HB2 0.00 0.07 -0.03 -0.04 3.95 3.95 1cb5A1 SER 4 HB3 0.00 -0.06 0.05 -0.04 3.93 3.89 1cb5A1 GLY 5 H 0.00 0.05 0.11 -0.55 8.43 8.04 1cb5A1 GLY 5 HA2 0.00 -0.01 0.31 -0.51 4.01 3.80 1cb5A1 GLY 5 HA3 0.00 0.02 0.34 -0.51 4.01 3.86 1cb5A1 LEU 6 H 0.00 0.07 0.13 -0.55 8.37 8.03 1cb5A1 LEU 6 HA 0.00 -0.01 0.40 -0.75 4.35 3.99 1cb5A1 LEU 6 HB2 0.00 0.02 0.08 -0.04 1.64 1.70 1cb5A1 LEU 6 HB3 0.00 -0.01 -0.10 -0.04 1.64 1.50 1cb5A1 LEU 6 HG 0.00 -0.03 0.07 -0.04 1.64 1.65 1cb5A1 LEU 6 HD13 0.01 0.01 -0.00 -0.04 0.93 0.91 1cb5A1 LEU 6 HD23 0.00 0.00 0.01 -0.04 0.89 0.87 1cb5A1 ASN 7 H 0.00 0.10 0.16 -0.55 8.53 8.24 1cb5A1 ASN 7 HA 0.00 0.19 0.52 -0.75 4.76 4.71 1cb5A1 ASN 7 HB2 0.00 0.15 0.16 -0.04 2.88 3.14 1cb5A1 ASN 7 HB3 -0.00 -0.06 0.24 -0.04 2.79 2.94 1cb5A1 ASN 7 HD21 -0.00 0.02 0.03 -0.04 7.03 7.03 1cb5A1 ASN 7 HD22 0.00 0.11 0.05 -0.04 7.74 7.86 1cb5A1 SER 8 H 0.00 0.36 0.26 -0.55 8.46 8.54 1cb5A1 SER 8 HA 0.00 0.05 0.31 -0.75 4.49 4.10 1cb5A1 SER 8 HB2 0.00 -0.02 0.12 -0.04 3.95 4.00 1cb5A1 SER 8 HB3 0.00 0.00 0.06 -0.04 3.93 3.95 1cb5A1 GLU 9 H -0.00 0.10 -0.24 -0.55 8.60 7.92 1cb5A1 GLU 9 HA -0.00 0.11 0.44 -0.75 4.29 4.09 1cb5A1 GLU 9 HB2 -0.00 0.03 0.08 -0.04 2.09 2.16 1cb5A1 GLU 9 HB3 -0.00 -0.01 0.03 -0.04 1.99 1.97 1cb5A1 GLU 9 HG2 -0.00 -0.00 -0.08 -0.04 2.34 2.21 1cb5A1 GLU 9 HG3 -0.00 0.02 0.04 -0.04 2.34 2.36 1cb5A1 LYS 10 H -0.00 0.15 -0.12 -0.55 8.42 7.89 1cb5A1 LYS 10 HA -0.01 0.07 0.45 -0.75 4.32 4.08 1cb5A1 LYS 10 HB2 -0.00 0.09 0.17 -0.04 1.87 2.08 1cb5A1 LYS 10 HB3 -0.00 0.02 0.02 -0.04 1.79 1.78 1cb5A1 LYS 10 HG2 -0.00 0.03 0.04 -0.04 1.46 1.49 1cb5A1 LYS 10 HG3 -0.00 -0.06 0.07 -0.04 1.46 1.43 1cb5A1 LYS 10 HD2 -0.00 -0.03 0.07 -0.04 1.69 1.69 1cb5A1 LYS 10 HD3 -0.00 0.02 0.03 -0.04 1.68 1.69 1cb5A1 LYS 10 HE2 -0.00 0.01 0.02 -0.04 2.99 2.98 1cb5A1 LYS 10 HE3 -0.00 -0.01 0.03 -0.04 2.99 2.97 1cb5A1 VAL 11 H -0.00 0.51 -0.12 -0.55 8.24 8.08 1cb5A1 VAL 11 HA -0.01 0.01 0.35 -0.75 4.13 3.74 1cb5A1 VAL 11 HB 0.00 0.10 0.07 -0.04 2.12 2.25 1cb5A1 VAL 11 HG13 0.00 0.00 -0.15 -0.04 0.97 0.79 1cb5A1 VAL 11 HG23 0.00 0.01 -0.07 -0.04 0.95 0.85 1cb5A1 ALA 12 H -0.00 0.59 -0.16 -0.55 8.40 8.29 1cb5A1 ALA 12 HA -0.01 0.00 0.36 -0.75 4.34 3.94 1cb5A1 ALA 12 HB3 -0.00 0.03 0.12 -0.04 1.41 1.51 1cb5A1 ALA 13 H -0.01 0.56 -0.13 -0.55 8.40 8.27 1cb5A1 ALA 13 HA -0.02 0.00 0.40 -0.75 4.34 3.97 1cb5A1 ALA 13 HB3 -0.01 0.01 0.13 -0.04 1.41 1.50 1cb5A1 LEU 14 H -0.02 0.68 -0.10 -0.55 8.37 8.38 1cb5A1 LEU 14 HA -0.05 -0.03 0.40 -0.75 4.35 3.92 1cb5A1 LEU 14 HB2 -0.02 0.14 0.16 -0.04 1.64 1.87 1cb5A1 LEU 14 HB3 -0.03 0.05 0.15 -0.04 1.64 1.77 1cb5A1 LEU 14 HG -0.02 -0.03 0.03 -0.04 1.64 1.58 1cb5A1 LEU 14 HD13 -0.01 -0.01 -0.02 -0.04 0.93 0.85 1cb5A1 LEU 14 HD23 -0.06 -0.01 -0.05 -0.04 0.89 0.72 1cb5A1 ILE 15 H -0.03 0.70 0.01 -0.55 8.25 8.38 1cb5A1 ILE 15 HA -0.10 -0.03 0.38 -0.75 4.18 3.67 1cb5A1 ILE 15 HB -0.02 0.13 0.12 -0.04 1.89 2.08 1cb5A1 ILE 15 HG12 -0.01 0.32 0.09 -0.04 1.49 1.84 1cb5A1 ILE 15 HG13 0.01 -0.05 -0.03 -0.04 1.21 1.09 1cb5A1 ILE 15 HG23 0.00 -0.02 -0.07 -0.04 0.93 0.81 1cb5A1 ILE 15 HD13 0.01 -0.03 0.01 -0.04 0.88 0.83 1cb5A1 GLN 16 H -0.04 0.51 -0.29 -0.55 8.47 8.10 1cb5A1 GLN 16 HA -0.03 -0.01 0.37 -0.75 4.36 3.93 1cb5A1 GLN 16 HB2 -0.02 0.01 0.11 -0.04 2.15 2.21 1cb5A1 GLN 16 HB3 -0.03 0.16 0.17 -0.04 2.02 2.28 1cb5A1 GLN 16 HG2 -0.02 -0.00 -0.15 -0.04 2.40 2.19 1cb5A1 GLN 16 HG3 -0.01 -0.03 0.01 -0.04 2.39 2.32 1cb5A1 GLN 16 HE21 -0.01 -0.04 -0.02 -0.04 6.97 6.86 1cb5A1 GLN 16 HE22 -0.01 0.01 -0.05 -0.04 7.69 7.59 1cb5A1 LYS 17 H -0.06 0.58 -0.02 -0.55 8.42 8.36 1cb5A1 LYS 17 HA -0.05 -0.02 0.39 -0.75 4.32 3.89 1cb5A1 LYS 17 HB2 -0.05 -0.01 0.13 -0.04 1.87 1.91 1cb5A1 LYS 17 HB3 -0.08 0.09 0.21 -0.04 1.79 1.97 1cb5A1 LYS 17 HG2 -0.06 -0.01 -0.14 -0.04 1.46 1.21 1cb5A1 LYS 17 HG3 -0.04 -0.03 0.05 -0.04 1.46 1.39 1cb5A1 LYS 17 HD2 -0.02 -0.03 -0.01 -0.04 1.69 1.59 1cb5A1 LYS 17 HD3 -0.03 -0.02 0.00 -0.04 1.68 1.60 1cb5A1 LYS 17 HE2 -0.04 0.03 0.02 -0.04 2.99 2.95 1cb5A1 LYS 17 HE3 -0.04 0.00 -0.03 -0.04 2.99 2.89 1cb5A1 LEU 18 H -0.20 0.72 -0.00 -0.55 8.37 8.33 1cb5A1 LEU 18 HA -0.39 -0.04 0.41 -0.75 4.35 3.58 1cb5A1 LEU 18 HB2 -0.59 0.11 0.19 -0.04 1.64 1.31 1cb5A1 LEU 18 HB3 -2.07 -0.04 0.01 -0.04 1.64 -0.50 1cb5A1 LEU 18 HG -0.24 0.12 -0.01 -0.04 1.64 1.47 1cb5A1 LEU 18 HD13 -0.18 -0.02 -0.04 -0.04 0.93 0.65 1cb5A1 LEU 18 HD23 -0.23 -0.02 0.02 -0.04 0.89 0.62 1cb5A1 ASN 19 H -0.21 0.70 -0.06 -0.55 8.53 8.42 1cb5A1 ASN 19 HA 0.12 -0.01 0.34 -0.75 4.76 4.45 1cb5A1 ASN 19 HB2 -0.01 0.12 0.11 -0.04 2.88 3.05 1cb5A1 ASN 19 HB3 0.05 -0.07 0.14 -0.04 2.79 2.86 1cb5A1 ASN 19 HD21 0.31 -0.03 -0.02 -0.04 7.03 7.25 1cb5A1 ASN 19 HD22 0.33 -0.01 -0.00 -0.04 7.74 8.01 1cb5A1 SER 20 H -0.06 0.44 -0.78 -0.55 8.46 7.52 1cb5A1 SER 20 HA 0.02 0.10 0.81 -0.75 4.49 4.65 1cb5A1 SER 20 HB2 -0.00 -0.12 0.13 -0.04 3.95 3.91 1cb5A1 SER 20 HB3 -0.01 0.05 0.04 -0.04 3.93 3.97 1cb5A1 ASP 21 H 0.00 0.59 0.08 -0.55 8.40 8.52 1cb5A1 ASP 21 HA 0.04 0.12 0.74 -0.75 4.63 4.77 1cb5A1 ASP 21 HB2 0.01 0.07 0.18 -0.04 2.71 2.93 1cb5A1 ASP 21 HB3 0.09 0.13 0.33 -0.04 2.70 3.21 1cb5A1 PRO 22 HA 0.06 0.09 0.38 -0.51 4.44 4.45 1cb5A1 PRO 22 HB2 0.02 0.01 0.02 -0.04 2.28 2.30 1cb5A1 PRO 22 HB3 0.03 0.07 0.13 -0.04 2.02 2.21 1cb5A1 PRO 22 HG2 0.03 -0.08 0.14 -0.04 2.03 2.07 1cb5A1 PRO 22 HG3 0.02 0.07 0.12 -0.04 2.03 2.20 1cb5A1 PRO 22 HD2 0.03 0.06 0.33 -0.04 3.68 4.07 1cb5A1 PRO 22 HD3 0.03 0.31 0.28 -0.04 3.65 4.23 1cb5A1 GLN 23 H 0.06 0.13 -0.18 -0.55 8.47 7.92 1cb5A1 GLN 23 HA 0.01 0.05 0.43 -0.75 4.36 4.10 1cb5A1 GLN 23 HB2 0.04 -0.03 0.11 -0.04 2.15 2.22 1cb5A1 GLN 23 HB3 0.07 0.02 0.04 -0.04 2.02 2.11 1cb5A1 GLN 23 HG2 0.02 0.17 -0.03 -0.04 2.40 2.51 1cb5A1 GLN 23 HG3 -0.00 -0.06 0.10 -0.04 2.39 2.39 1cb5A1 GLN 23 HE21 0.02 -0.14 0.05 -0.04 6.97 6.87 1cb5A1 GLN 23 HE22 0.01 0.54 0.15 -0.04 7.69 8.35 1cb5A1 PHE 24 H 0.20 0.13 -0.19 -0.55 8.34 7.93 1cb5A1 PHE 24 HA -0.00 0.11 0.43 -0.75 4.62 4.40 1cb5A1 PHE 24 HB2 0.02 -0.05 0.14 -0.04 3.15 3.21 1cb5A1 PHE 24 HB3 0.01 0.30 0.22 -0.04 3.06 3.55 1cb5A1 PHE 24 HD2 0.03 0.05 -0.16 -0.04 7.28 7.16 1cb5A1 PHE 24 HE2 0.04 -0.01 -0.08 -0.04 7.38 7.29 1cb5A1 PHE 24 HZ 0.03 -0.02 -0.05 -0.04 7.32 7.24 1cb5A1 VAL 25 H 0.18 0.45 -0.17 -0.55 8.24 8.15 1cb5A1 VAL 25 HA -0.05 0.02 0.38 -0.75 4.13 3.72 1cb5A1 VAL 25 HB 0.05 0.07 0.10 -0.04 2.12 2.30 1cb5A1 VAL 25 HG13 0.03 -0.02 -0.05 -0.04 0.97 0.89 1cb5A1 VAL 25 HG23 0.17 0.07 -0.04 -0.04 0.95 1.11 1cb5A1 LEU 26 H -0.02 0.54 -0.11 -0.55 8.37 8.23 1cb5A1 LEU 26 HA -0.05 -0.01 0.44 -0.75 4.35 3.99 1cb5A1 LEU 26 HB2 -0.02 0.01 0.14 -0.04 1.64 1.72 1cb5A1 LEU 26 HB3 -0.04 0.14 0.21 -0.04 1.64 1.90 1cb5A1 LEU 26 HG -0.07 0.01 -0.18 -0.04 1.64 1.36 1cb5A1 LEU 26 HD13 -0.04 -0.02 0.05 -0.04 0.93 0.88 1cb5A1 LEU 26 HD23 -0.03 -0.01 0.00 -0.04 0.89 0.81 1cb5A1 ALA 27 H -0.13 0.62 -0.05 -0.55 8.40 8.29 1cb5A1 ALA 27 HA -0.17 -0.04 0.43 -0.75 4.34 3.81 1cb5A1 ALA 27 HB3 -0.25 0.03 0.15 -0.04 1.41 1.30 1cb5A1 GLN 28 H -0.31 0.48 -0.32 -0.55 8.47 7.77 1cb5A1 GLN 28 HA -0.20 -0.01 0.43 -0.75 4.36 3.82 1cb5A1 GLN 28 HB2 -0.69 0.09 0.09 -0.04 2.15 1.60 1cb5A1 GLN 28 HB3 -0.22 0.11 0.14 -0.04 2.02 2.01 1cb5A1 GLN 28 HG2 -0.07 -0.02 -0.12 -0.04 2.40 2.15 1cb5A1 GLN 28 HG3 -0.13 -0.05 0.03 -0.04 2.39 2.20 1cb5A1 GLN 28 HE21 0.19 -0.02 -0.03 -0.04 6.97 7.07 1cb5A1 GLN 28 HE22 0.05 -0.02 -0.02 -0.04 7.69 7.66 1cb5A1 ASN 29 H -0.09 0.57 -0.06 -0.55 8.53 8.41 1cb5A1 ASN 29 HA -0.02 0.01 0.41 -0.75 4.76 4.41 1cb5A1 ASN 29 HB2 -0.04 0.11 0.21 -0.04 2.88 3.13 1cb5A1 ASN 29 HB3 -0.01 -0.06 0.02 -0.04 2.79 2.70 1cb5A1 ASN 29 HD21 -0.01 -0.05 -0.04 -0.04 7.03 6.88 1cb5A1 ASN 29 HD22 -0.02 -0.03 0.00 -0.04 7.74 7.65 1cb5A1 VAL 30 H -0.06 0.45 -0.12 -0.55 8.24 7.95 1cb5A1 VAL 30 HA 0.12 0.09 0.54 -0.75 4.13 4.13 1cb5A1 VAL 30 HB -0.21 -0.07 0.01 -0.04 2.12 1.81 1cb5A1 VAL 30 HG13 -0.09 0.01 0.01 -0.04 0.97 0.86 1cb5A1 VAL 30 HG23 -0.12 0.05 0.01 -0.04 0.95 0.86 1cb5A1 GLY 31 H -0.07 0.68 -0.08 -0.55 8.43 8.42 1cb5A1 GLY 31 HA2 0.00 -0.05 0.36 -0.51 4.01 3.82 1cb5A1 GLY 31 HA3 -0.04 0.10 0.33 -0.51 4.01 3.89 1cb5A1 THR 32 H 0.00 0.44 -0.36 -0.55 8.28 7.82 1cb5A1 THR 32 HA 0.02 0.08 0.65 -0.75 4.39 4.38 1cb5A1 THR 32 HB -0.00 -0.08 0.10 -0.04 4.32 4.30 1cb5A1 THR 32 HG23 -0.00 -0.01 0.02 -0.04 1.22 1.19 1cb5A1 THR 33 H 0.07 0.30 -0.39 -0.55 8.28 7.72 1cb5A1 THR 33 HA -0.08 0.19 1.01 -0.75 4.39 4.76 1cb5A1 THR 33 HB -0.24 -0.09 0.17 -0.04 4.32 4.12 1cb5A1 THR 33 HG23 -0.03 -0.01 -0.12 -0.04 1.22 1.02 1cb5A1 HIS 34 H 0.10 0.33 -0.04 -0.55 8.41 8.25 1cb5A1 HIS 34 HA -0.01 0.13 0.81 -0.75 4.63 4.81 1cb5A1 HIS 34 HB2 -0.02 0.07 -0.11 -0.04 3.26 3.17 1cb5A1 HIS 34 HB3 -0.01 -0.13 0.06 -0.04 3.20 3.08 1cb5A1 HIS 34 HD2 -0.01 -0.08 0.02 -0.04 6.97 6.85 1cb5A1 HIS 34 HE1 -0.02 -0.01 -0.04 -0.04 7.75 7.63 1cb5A1 ASP 35 H 0.10 0.12 0.14 -0.55 8.40 8.21 1cb5A1 ASP 35 HA 0.03 0.10 0.49 -0.75 4.63 4.50 1cb5A1 ASP 35 HB2 0.03 0.11 0.15 -0.04 2.71 2.96 1cb5A1 ASP 35 HB3 0.04 -0.05 0.19 -0.04 2.70 2.85 1cb5A1 LEU 36 H 0.04 0.19 0.23 -0.55 8.37 8.29 1cb5A1 LEU 36 HA 0.07 0.16 0.32 -0.75 4.35 4.15 1cb5A1 LEU 36 HB2 0.06 -0.06 0.12 -0.04 1.64 1.71 1cb5A1 LEU 36 HB3 0.22 0.01 0.04 -0.04 1.64 1.87 1cb5A1 LEU 36 HG 0.07 0.00 0.18 -0.04 1.64 1.85 1cb5A1 LEU 36 HD13 0.08 0.00 0.04 -0.04 0.93 1.01 1cb5A1 LEU 36 HD23 0.20 0.04 0.06 -0.04 0.89 1.16 1cb5A1 LEU 37 H -0.02 0.08 -0.18 -0.55 8.37 7.71 1cb5A1 LEU 37 HA -0.23 0.08 0.43 -0.75 4.35 3.87 1cb5A1 LEU 37 HB2 -0.01 -0.03 0.07 -0.04 1.64 1.62 1cb5A1 LEU 37 HB3 -0.02 0.04 0.01 -0.04 1.64 1.63 1cb5A1 LEU 37 HG -0.09 -0.03 0.05 -0.04 1.64 1.53 1cb5A1 LEU 37 HD13 -0.03 0.03 0.05 -0.04 0.93 0.94 1cb5A1 LEU 37 HD23 -0.56 0.01 -0.01 -0.04 0.89 0.29 1cb5A1 ASP 38 H 0.03 0.15 -0.21 -0.55 8.40 7.82 1cb5A1 ASP 38 HA 0.06 0.04 0.42 -0.75 4.63 4.40 1cb5A1 ASP 38 HB2 0.04 0.13 0.10 -0.04 2.71 2.94 1cb5A1 ASP 38 HB3 0.01 0.04 0.04 -0.04 2.70 2.75 1cb5A1 ILE 39 H -0.01 0.30 -0.35 -0.55 8.25 7.64 1cb5A1 ILE 39 HA -0.08 0.15 0.61 -0.75 4.18 4.10 1cb5A1 ILE 39 HB -0.14 -0.02 0.02 -0.04 1.89 1.72 1cb5A1 ILE 39 HG12 -0.03 0.02 0.03 -0.04 1.49 1.47 1cb5A1 ILE 39 HG13 -0.14 0.01 -0.23 -0.04 1.21 0.81 1cb5A1 ILE 39 HG23 -0.11 0.03 -0.20 -0.04 0.93 0.61 1cb5A1 ILE 39 HD13 -0.13 -0.00 -0.10 -0.04 0.88 0.61 1cb5A1 CYS 40 H 0.00 0.30 -0.25 -0.55 8.50 8.00 1cb5A1 CYS 40 HA -0.06 0.17 0.67 -0.75 4.58 4.60 1cb5A1 CYS 40 HB2 -0.10 0.08 0.05 -0.04 2.97 2.97 1cb5A1 CYS 40 HB3 -0.14 -0.28 -0.06 -0.04 2.97 2.44 1cb5A1 LEU 41 H 0.10 0.22 -0.37 -0.55 8.37 7.77 1cb5A1 LEU 41 HA 0.00 0.13 0.52 -0.75 4.35 4.25 1cb5A1 LEU 41 HB2 0.12 0.08 0.15 -0.04 1.64 1.94 1cb5A1 LEU 41 HB3 0.02 0.08 0.11 -0.04 1.64 1.81 1cb5A1 LEU 41 HG -0.04 -0.05 -0.22 -0.04 1.64 1.29 1cb5A1 LEU 41 HD13 -0.16 0.03 0.02 -0.04 0.93 0.78 1cb5A1 LEU 41 HD23 0.00 -0.02 -0.02 -0.04 0.89 0.81 1cb5A1 LYS 42 H -0.08 0.62 0.32 -0.55 8.42 8.72 1cb5A1 LYS 42 HA -0.01 0.10 0.67 -0.75 4.32 4.32 1cb5A1 LYS 42 HB2 0.01 0.00 -0.04 -0.04 1.87 1.80 1cb5A1 LYS 42 HB3 -0.02 0.10 0.18 -0.04 1.79 2.01 1cb5A1 LYS 42 HG2 0.00 -0.27 -0.08 -0.04 1.46 1.07 1cb5A1 LYS 42 HG3 0.01 0.02 0.02 -0.04 1.46 1.46 1cb5A1 LYS 42 HD2 0.04 -0.02 -0.07 -0.04 1.69 1.59 1cb5A1 LYS 42 HD3 0.03 0.16 0.00 -0.04 1.68 1.83 1cb5A1 LYS 42 HE2 0.03 0.01 -0.02 -0.04 2.99 2.98 1cb5A1 LYS 42 HE3 0.02 -0.04 -0.02 -0.04 2.99 2.91 1cb5A1 ARG 43 H -0.02 0.30 0.18 -0.55 8.46 8.37 1cb5A1 ARG 43 HA -0.02 0.07 0.31 -0.75 4.34 3.95 1cb5A1 ARG 43 HB2 -0.02 0.11 0.14 -0.04 1.90 2.09 1cb5A1 ARG 43 HB3 -0.01 -0.04 0.12 -0.04 1.80 1.82 1cb5A1 ARG 43 HG2 -0.01 0.04 -0.02 -0.04 1.67 1.64 1cb5A1 ARG 43 HG3 -0.01 -0.02 -0.19 -0.04 1.67 1.41 1cb5A1 ARG 43 HD2 -0.01 -0.08 0.05 -0.04 3.22 3.14 1cb5A1 ARG 43 HD3 -0.01 0.05 0.02 -0.04 3.22 3.23 1cb5A1 ALA 44 H -0.01 0.10 -0.15 -0.55 8.40 7.80 1cb5A1 ALA 44 HA -0.01 0.09 0.33 -0.75 4.34 4.00 1cb5A1 ALA 44 HB3 -0.00 0.01 0.03 -0.04 1.41 1.41 1cb5A1 THR 45 H -0.01 0.19 -0.32 -0.55 8.28 7.59 1cb5A1 THR 45 HA -0.01 0.03 0.40 -0.75 4.39 4.06 1cb5A1 THR 45 HB -0.03 0.17 0.12 -0.04 4.32 4.54 1cb5A1 THR 45 HG23 -0.01 -0.05 -0.30 -0.04 1.22 0.82 1cb5A1 VAL 46 H -0.03 0.40 -0.05 -0.55 8.24 8.01 1cb5A1 VAL 46 HA -0.02 -0.00 0.37 -0.75 4.13 3.72 1cb5A1 VAL 46 HB -0.02 0.05 0.11 -0.04 2.12 2.22 1cb5A1 VAL 46 HG13 -0.01 0.00 -0.14 -0.04 0.97 0.79 1cb5A1 VAL 46 HG23 -0.05 0.00 -0.05 -0.04 0.95 0.82 1cb5A1 GLN 47 H -0.01 0.68 -0.11 -0.55 8.47 8.48 1cb5A1 GLN 47 HA -0.01 0.02 0.35 -0.75 4.36 3.98 1cb5A1 GLN 47 HB2 -0.01 -0.04 0.05 -0.04 2.15 2.11 1cb5A1 GLN 47 HB3 -0.01 0.08 0.08 -0.04 2.02 2.12 1cb5A1 GLN 47 HG2 -0.01 0.03 -0.20 -0.04 2.40 2.18 1cb5A1 GLN 47 HG3 -0.01 -0.02 0.02 -0.04 2.39 2.34 1cb5A1 GLN 47 HE21 -0.01 -0.05 -0.04 -0.04 6.97 6.84 1cb5A1 GLN 47 HE22 -0.01 0.03 -0.07 -0.04 7.69 7.59 1cb5A1 ARG 48 H -0.02 0.31 -0.33 -0.55 8.46 7.87 1cb5A1 ARG 48 HA -0.03 0.11 0.60 -0.75 4.34 4.27 1cb5A1 ARG 48 HB2 -0.02 0.04 0.09 -0.04 1.90 1.98 1cb5A1 ARG 48 HB3 -0.03 -0.10 0.10 -0.04 1.80 1.73 1cb5A1 ARG 48 HG2 -0.02 -0.04 -0.00 -0.04 1.67 1.57 1cb5A1 ARG 48 HG3 -0.01 0.02 -0.03 -0.04 1.67 1.60 1cb5A1 ARG 48 HD2 -0.01 0.01 -0.05 -0.04 3.22 3.13 1cb5A1 ARG 48 HD3 -0.01 -0.07 -0.01 -0.04 3.22 3.09 1cb5A1 ALA 49 H -0.02 0.38 -0.33 -0.55 8.40 7.88 1cb5A1 ALA 49 HA -0.09 -0.06 0.49 -0.75 4.34 3.93 1cb5A1 ALA 49 HB3 -0.05 0.02 0.04 -0.04 1.41 1.38 1cb5A1 GLN 50 H -0.19 0.17 0.19 -0.55 8.47 8.10 1cb5A1 GLN 50 HA -0.06 0.18 0.80 -0.75 4.36 4.52 1cb5A1 GLN 50 HB2 -0.17 -0.04 0.10 -0.04 2.15 2.00 1cb5A1 GLN 50 HB3 -0.12 -0.03 -0.02 -0.04 2.02 1.80 1cb5A1 GLN 50 HG2 -0.05 0.09 -0.11 -0.04 2.40 2.29 1cb5A1 GLN 50 HG3 -0.07 0.15 -0.38 -0.04 2.39 2.04 1cb5A1 GLN 50 HE21 -0.06 -0.06 -0.03 -0.04 6.97 6.79 1cb5A1 GLN 50 HE22 -0.07 0.08 -0.03 -0.04 7.69 7.64 1cb5A1 HIS 51 H 0.00 0.21 0.00 -0.55 8.41 8.08 1cb5A1 HIS 51 HA -0.14 0.15 0.74 -0.75 4.63 4.63 1cb5A1 HIS 51 HB2 -0.54 0.01 0.14 -0.04 3.26 2.83 1cb5A1 HIS 51 HB3 -0.15 0.02 0.11 -0.04 3.20 3.15 1cb5A1 HIS 51 HD2 0.10 -0.00 -0.22 -0.04 6.97 6.80 1cb5A1 HIS 51 HE1 -0.03 0.05 -0.09 -0.04 7.75 7.63 1cb5A1 VAL 52 H -0.51 0.46 -0.32 -0.55 8.24 7.32 1cb5A1 VAL 52 HA 0.01 0.18 0.72 -0.75 4.13 4.29 1cb5A1 VAL 52 HB -0.19 -0.03 -0.09 -0.04 2.12 1.77 1cb5A1 VAL 52 HG13 -0.05 0.02 -0.07 -0.04 0.97 0.82 1cb5A1 VAL 52 HG23 -0.06 -0.01 -0.28 -0.04 0.95 0.56 1cb5A1 PHE 53 H 0.15 0.30 0.05 -0.55 8.34 8.29 1cb5A1 PHE 53 HA -0.06 0.11 0.73 -0.75 4.62 4.64 1cb5A1 PHE 53 HB2 -0.01 0.07 -0.22 -0.04 3.15 2.94 1cb5A1 PHE 53 HB3 -0.04 -0.04 -0.26 -0.04 3.06 2.67 1cb5A1 PHE 53 HD2 -0.04 -0.02 -0.39 -0.04 7.28 6.80 1cb5A1 PHE 53 HE2 0.02 -0.01 -0.44 -0.04 7.38 6.91 1cb5A1 PHE 53 HZ -0.02 0.01 -0.10 -0.04 7.32 7.17 1cb5A1 GLN 54 H 0.01 0.05 0.11 -0.55 8.47 8.09 1cb5A1 GLN 54 HA -0.14 0.07 0.45 -0.75 4.36 3.99 1cb5A1 GLN 54 HB2 -0.06 0.00 0.40 -0.04 2.15 2.45 1cb5A1 GLN 54 HB3 -0.54 0.05 0.06 -0.04 2.02 1.55 1cb5A1 GLN 54 HG2 -0.11 0.05 0.09 -0.04 2.40 2.38 1cb5A1 GLN 54 HG3 -0.08 -0.04 0.15 -0.04 2.39 2.38 1cb5A1 GLN 54 HE21 -0.02 0.51 0.23 -0.04 6.97 7.65 1cb5A1 GLN 54 HE22 -0.05 -0.00 0.13 -0.04 7.69 7.72 1cb5A1 HIS 55 H 0.07 0.61 0.26 -0.55 8.41 8.80 1cb5A1 HIS 55 HA 0.03 0.24 1.06 -0.75 4.63 5.21 1cb5A1 HIS 55 HB2 -0.01 -0.08 0.13 -0.04 3.26 3.26 1cb5A1 HIS 55 HB3 0.01 0.11 -0.04 -0.04 3.20 3.24 1cb5A1 HIS 55 HD2 0.02 0.09 -0.01 -0.04 6.97 7.02 1cb5A1 HIS 55 HE1 -0.00 -0.05 -0.01 -0.04 7.75 7.65 1cb5A1 ALA 56 H 0.08 0.27 0.14 -0.55 8.40 8.34 1cb5A1 ALA 56 HA 0.06 0.10 1.08 -0.75 4.34 4.83 1cb5A1 ALA 56 HB3 0.05 -0.00 -0.02 -0.04 1.41 1.40 1cb5A1 VAL 57 H 0.07 0.51 0.28 -0.55 8.24 8.54 1cb5A1 VAL 57 HA 0.08 0.14 0.47 -0.75 4.13 4.07 1cb5A1 VAL 57 HB 0.10 -0.02 0.07 -0.04 2.12 2.22 1cb5A1 VAL 57 HG13 0.09 -0.04 -0.20 -0.04 0.97 0.78 1cb5A1 VAL 57 HG23 0.10 -0.04 -0.17 -0.04 0.95 0.80 1cb5A1 PRO 58 HA 0.05 0.06 0.43 -0.51 4.44 4.46 1cb5A1 PRO 58 HB2 0.05 0.01 0.02 -0.04 2.28 2.32 1cb5A1 PRO 58 HB3 0.05 0.00 0.14 -0.04 2.02 2.18 1cb5A1 PRO 58 HG2 0.07 0.00 0.14 -0.04 2.03 2.20 1cb5A1 PRO 58 HG3 0.07 0.07 0.14 -0.04 2.03 2.26 1cb5A1 PRO 58 HD2 0.08 0.09 0.26 -0.04 3.68 4.07 1cb5A1 PRO 58 HD3 0.07 0.15 0.24 -0.04 3.65 4.07 1cb5A1 GLN 59 H 0.07 0.18 -0.19 -0.55 8.47 7.99 1cb5A1 GLN 59 HA 0.05 0.12 0.80 -0.75 4.36 4.58 1cb5A1 GLN 59 HB2 0.05 0.01 -0.20 -0.04 2.15 1.97 1cb5A1 GLN 59 HB3 0.06 -0.02 0.01 -0.04 2.02 2.03 1cb5A1 GLN 59 HG2 0.05 -0.03 -0.07 -0.04 2.40 2.32 1cb5A1 GLN 59 HG3 0.06 0.21 -0.22 -0.04 2.39 2.41 1cb5A1 GLN 59 HE21 0.04 -0.08 0.05 -0.04 6.97 6.94 1cb5A1 GLN 59 HE22 0.05 0.21 0.07 -0.04 7.69 7.97 1cb5A1 GLU 60 H 0.05 0.12 0.09 -0.55 8.60 8.32 1cb5A1 GLU 60 HA 0.12 0.09 0.69 -0.75 4.29 4.43 1cb5A1 GLU 60 HB2 0.05 0.02 0.06 -0.04 2.09 2.18 1cb5A1 GLU 60 HB3 0.20 -0.00 0.07 -0.04 1.99 2.21 1cb5A1 GLU 60 HG2 0.10 -0.00 -0.05 -0.04 2.34 2.35 1cb5A1 GLU 60 HG3 0.03 0.03 -0.05 -0.04 2.34 2.31 1cb5A1 GLY 61 H 0.15 0.04 0.14 -0.55 8.43 8.21 1cb5A1 GLY 61 HA2 0.11 0.10 0.37 -0.51 4.01 4.07 1cb5A1 GLY 61 HA3 0.11 0.01 0.30 -0.51 4.01 3.92 1cb5A1 LYS 62 H 0.09 0.31 0.21 -0.55 8.42 8.48 1cb5A1 LYS 62 HA 0.08 -0.04 0.54 -0.75 4.32 4.15 1cb5A1 LYS 62 HB2 0.08 0.20 0.15 -0.04 1.87 2.25 1cb5A1 LYS 62 HB3 0.07 -0.09 0.03 -0.04 1.79 1.75 1cb5A1 LYS 62 HG2 0.08 -0.02 0.06 -0.04 1.46 1.53 1cb5A1 LYS 62 HG3 0.08 0.15 -0.36 -0.04 1.46 1.28 1cb5A1 LYS 62 HD2 0.05 -0.09 -0.01 -0.04 1.69 1.60 1cb5A1 LYS 62 HD3 0.05 -0.03 -0.02 -0.04 1.68 1.64 1cb5A1 LYS 62 HE2 0.05 0.06 -0.01 -0.04 2.99 3.05 1cb5A1 LYS 62 HE3 0.06 0.15 -0.00 -0.04 2.99 3.15 1cb5A1 PRO 63 HA 0.06 0.09 0.35 -0.51 4.44 4.43 1cb5A1 PRO 63 HB2 0.04 0.10 0.06 -0.04 2.28 2.44 1cb5A1 PRO 63 HB3 0.04 0.01 0.09 -0.04 2.02 2.11 1cb5A1 PRO 63 HG2 0.01 0.03 -0.05 -0.04 2.03 1.98 1cb5A1 PRO 63 HG3 0.02 0.00 0.01 -0.04 2.03 2.02 1cb5A1 PRO 63 HD2 -0.00 0.09 -0.01 -0.04 3.68 3.71 1cb5A1 PRO 63 HD3 0.01 0.04 0.41 -0.04 3.65 4.08 1cb5A1 ILE 64 H 0.07 0.07 0.11 -0.55 8.25 7.94 1cb5A1 ILE 64 HA 0.07 0.13 0.45 -0.75 4.18 4.07 1cb5A1 ILE 64 HB 0.06 -0.16 -0.05 -0.04 1.89 1.70 1cb5A1 ILE 64 HG12 0.09 -0.11 0.10 -0.04 1.49 1.53 1cb5A1 ILE 64 HG13 0.12 0.09 -0.01 -0.04 1.21 1.37 1cb5A1 ILE 64 HG23 0.03 0.05 -0.09 -0.04 0.93 0.87 1cb5A1 ILE 64 HD13 0.21 0.03 -0.00 -0.04 0.88 1.08 1cb5A1 THR 65 H 0.04 0.19 0.17 -0.55 8.28 8.13 1cb5A1 THR 65 HA 0.10 0.21 0.74 -0.75 4.39 4.69 1cb5A1 THR 65 HB 0.50 -0.08 0.03 -0.04 4.32 4.72 1cb5A1 THR 65 HG23 0.08 0.05 -0.07 -0.04 1.22 1.24 1cb5A1 ASN 66 H 0.15 0.25 0.03 -0.55 8.53 8.41 1cb5A1 ASN 66 HA -0.09 0.13 0.49 -0.75 4.76 4.53 1cb5A1 ASN 66 HB2 0.01 -0.01 -0.29 -0.04 2.88 2.55 1cb5A1 ASN 66 HB3 -0.02 0.06 0.06 -0.04 2.79 2.84 1cb5A1 ASN 66 HD21 -0.02 0.06 -0.16 -0.04 7.03 6.87 1cb5A1 ASN 66 HD22 -0.00 -0.03 -0.11 -0.04 7.74 7.55 1cb5A1 GLN 67 H -0.44 0.76 0.28 -0.55 8.47 8.52 1cb5A1 GLN 67 HA -0.86 0.07 0.47 -0.75 4.36 3.28 1cb5A1 GLN 67 HB2 -0.45 -0.12 0.00 -0.04 2.15 1.54 1cb5A1 GLN 67 HB3 -1.24 -0.04 0.04 -0.04 2.02 0.73 1cb5A1 GLN 67 HG2 -0.03 0.10 0.18 -0.04 2.40 2.61 1cb5A1 GLN 67 HG3 -0.14 0.26 -0.10 -0.04 2.39 2.37 1cb5A1 GLN 67 HE21 0.28 -0.17 0.07 -0.04 6.97 7.10 1cb5A1 GLN 67 HE22 0.05 0.52 0.16 -0.04 7.69 8.38 1cb5A1 LYS 68 H -0.17 -0.02 -0.17 -0.55 8.42 7.51 1cb5A1 LYS 68 HA -0.17 -0.01 0.29 -0.75 4.32 3.68 1cb5A1 LYS 68 HB2 -0.14 0.19 -0.11 -0.04 1.87 1.76 1cb5A1 LYS 68 HB3 -0.15 -0.04 0.29 -0.04 1.79 1.85 1cb5A1 LYS 68 HG2 -0.10 -0.04 -0.02 -0.04 1.46 1.26 1cb5A1 LYS 68 HG3 -0.10 0.06 -0.24 -0.04 1.46 1.14 1cb5A1 LYS 68 HD2 -0.10 0.02 -0.03 -0.04 1.69 1.54 1cb5A1 LYS 68 HD3 -0.12 0.02 0.03 -0.04 1.68 1.57 1cb5A1 LYS 68 HE2 -0.07 -0.02 -0.02 -0.04 2.99 2.84 1cb5A1 LYS 68 HE3 -0.05 -0.01 -0.04 -0.04 2.99 2.84 1cb5A1 SER 69 H -0.16 0.42 0.28 -0.55 8.46 8.46 1cb5A1 SER 69 HA -0.15 0.08 0.62 -0.75 4.49 4.29 1cb5A1 SER 69 HB2 -0.14 0.34 0.52 -0.04 3.95 4.63 1cb5A1 SER 69 HB3 -0.10 -0.15 0.25 -0.04 3.93 3.90 1cb5A1 SER 70 H -0.12 0.66 0.05 -0.55 8.46 8.50 1cb5A1 SER 70 HA -0.05 0.04 0.63 -0.75 4.49 4.35 1cb5A1 SER 70 HB2 -0.19 -0.10 0.12 -0.04 3.95 3.74 1cb5A1 SER 70 HB3 -0.19 0.21 -0.18 -0.04 3.93 3.73 1cb5A1 GLY 71 H 0.08 0.21 0.09 -0.55 8.43 8.27 1cb5A1 GLY 71 HA2 0.13 0.21 0.84 -0.51 4.01 4.68 1cb5A1 GLY 71 HA3 0.16 0.05 0.38 -0.51 4.01 4.09 1cb5A1 ARG 72 H 0.06 0.22 -0.52 -0.55 8.46 7.67 1cb5A1 ARG 72 HA 0.28 0.23 0.44 -0.75 4.34 4.53 1cb5A1 ARG 72 HB2 0.14 0.07 0.02 -0.04 1.90 2.10 1cb5A1 ARG 72 HB3 0.22 -0.06 0.14 -0.04 1.80 2.05 1cb5A1 ARG 72 HG2 0.07 0.09 -0.02 -0.04 1.67 1.77 1cb5A1 ARG 72 HG3 -0.16 -0.10 -0.01 -0.04 1.67 1.35 1cb5A1 ARG 72 HD2 -0.11 -0.01 -0.04 -0.04 3.22 3.01 1cb5A1 ARG 72 HD3 -1.18 0.04 0.01 -0.04 3.22 2.05 1cb5A1 CYS 73 H 0.26 0.17 -0.79 -0.55 8.50 7.59 1cb5A1 CYS 73 HA 0.03 0.07 0.38 -0.75 4.58 4.30 1cb5A1 CYS 73 HB2 0.01 -0.13 0.16 -0.04 2.97 2.97 1cb5A1 CYS 73 HB3 -0.08 0.08 0.20 -0.04 2.97 3.12 1cb5A1 TRP 74 H 0.73 0.20 -0.13 -0.55 7.97 8.23 1cb5A1 TRP 74 HA 0.07 0.01 0.26 -0.75 4.62 4.21 1cb5A1 TRP 74 HB2 0.61 -0.01 -0.19 -0.04 3.23 3.59 1cb5A1 TRP 74 HB3 0.25 0.01 0.01 -0.04 3.23 3.45 1cb5A1 TRP 74 HD1 0.14 -0.11 0.01 -0.04 7.22 7.22 1cb5A1 TRP 74 HE1 0.18 0.45 -0.05 -0.04 10.20 10.73 1cb5A1 TRP 74 HE3 0.17 -0.05 -0.36 -0.04 7.59 7.31 1cb5A1 TRP 74 HZ2 0.11 0.20 -0.14 -0.04 7.44 7.57 1cb5A1 TRP 74 HZ3 -0.03 -0.07 -0.26 -0.04 7.13 6.73 1cb5A1 TRP 74 HH2 0.02 0.04 -0.14 -0.04 7.19 7.07 1cb5A1 ILE 75 H -0.64 0.21 -0.37 -0.55 8.25 6.90 1cb5A1 ILE 75 HA -0.38 0.06 0.48 -0.75 4.18 3.58 1cb5A1 ILE 75 HB -0.33 0.08 0.12 -0.04 1.89 1.73 1cb5A1 ILE 75 HG12 -1.11 -0.00 -0.08 -0.04 1.49 0.25 1cb5A1 ILE 75 HG13 -2.54 -0.05 -0.09 -0.04 1.21 -1.51 1cb5A1 ILE 75 HG23 -0.32 0.02 -0.11 -0.04 0.93 0.48 1cb5A1 ILE 75 HD13 -0.30 0.02 -0.10 -0.04 0.88 0.45 1cb5A1 PHE 76 H 0.26 0.59 -0.00 -0.55 8.34 8.64 1cb5A1 PHE 76 HA -0.05 0.01 0.34 -0.75 4.62 4.17 1cb5A1 PHE 76 HB2 -0.07 0.13 0.14 -0.04 3.15 3.32 1cb5A1 PHE 76 HB3 -0.07 -0.01 -0.08 -0.04 3.06 2.87 1cb5A1 PHE 76 HD2 -0.07 0.14 -0.04 -0.04 7.28 7.27 1cb5A1 PHE 76 HE2 -0.08 -0.02 -0.09 -0.04 7.38 7.15 1cb5A1 PHE 76 HZ -0.08 0.08 -0.08 -0.04 7.32 7.20 1cb5A1 SER 77 H 0.09 0.62 -0.13 -0.55 8.46 8.49 1cb5A1 SER 77 HA 0.01 0.05 0.22 -0.75 4.49 4.02 1cb5A1 SER 77 HB2 -0.35 0.08 -0.24 -0.04 3.95 3.39 1cb5A1 SER 77 HB3 -0.19 0.02 -0.07 -0.04 3.93 3.65 1cb5A1 CYS 78 H 0.45 0.42 -0.32 -0.55 8.50 8.50 1cb5A1 CYS 78 HA 0.53 0.00 0.37 -0.75 4.58 4.73 1cb5A1 CYS 78 HB2 0.22 0.00 0.09 -0.04 2.97 3.24 1cb5A1 CYS 78 HB3 0.07 0.14 0.17 -0.04 2.97 3.32 1cb5A1 LEU 79 H 0.02 0.60 -0.09 -0.55 8.37 8.34 1cb5A1 LEU 79 HA -0.04 0.00 0.38 -0.75 4.35 3.94 1cb5A1 LEU 79 HB2 -0.08 0.11 0.04 -0.04 1.64 1.66 1cb5A1 LEU 79 HB3 0.11 -0.12 0.06 -0.04 1.64 1.65 1cb5A1 LEU 79 HG -0.14 0.13 0.03 -0.04 1.64 1.61 1cb5A1 LEU 79 HD13 -0.17 -0.03 -0.24 -0.04 0.93 0.45 1cb5A1 LEU 79 HD23 -0.27 -0.02 -0.08 -0.04 0.89 0.48 1cb5A1 ASN 80 H 0.09 0.35 -0.69 -0.55 8.53 7.74 1cb5A1 ASN 80 HA 0.08 0.07 0.59 -0.75 4.76 4.75 1cb5A1 ASN 80 HB2 0.07 0.11 0.10 -0.04 2.88 3.12 1cb5A1 ASN 80 HB3 0.06 -0.05 -0.05 -0.04 2.79 2.71 1cb5A1 ASN 80 HD21 0.06 -0.10 -0.14 -0.04 7.03 6.81 1cb5A1 ASN 80 HD22 -0.01 -0.02 -0.20 -0.04 7.74 7.47 1cb5A1 VAL 81 H 0.09 0.42 -0.06 -0.55 8.24 8.13 1cb5A1 VAL 81 HA 0.05 0.05 0.53 -0.75 4.13 4.01 1cb5A1 VAL 81 HB 0.04 0.05 0.14 -0.04 2.12 2.30 1cb5A1 VAL 81 HG13 0.13 -0.02 -0.06 -0.04 0.97 0.98 1cb5A1 VAL 81 HG23 0.24 0.01 -0.15 -0.04 0.95 1.02 1cb5A1 MET 82 H -0.24 0.47 -0.02 -0.55 8.47 8.13 1cb5A1 MET 82 HA -1.03 0.07 0.27 -0.75 4.52 3.08 1cb5A1 MET 82 HB2 -0.42 0.01 0.02 -0.04 2.15 1.72 1cb5A1 MET 82 HB3 -0.16 -0.01 0.02 -0.04 2.03 1.84 1cb5A1 MET 82 HG2 -0.04 0.00 -0.23 -0.04 2.63 2.32 1cb5A1 MET 82 HG3 -0.01 0.04 -0.05 -0.04 2.56 2.50 1cb5A1 MET 82 HE3 -0.07 0.01 -0.13 -0.04 2.10 1.86 1cb5A1 ARG 83 H 0.15 0.32 -0.48 -0.55 8.46 7.90 1cb5A1 ARG 83 HA 0.42 0.01 0.37 -0.75 4.34 4.39 1cb5A1 ARG 83 HB2 0.24 -0.06 -0.03 -0.04 1.90 2.02 1cb5A1 ARG 83 HB3 0.27 -0.01 0.06 -0.04 1.80 2.08 1cb5A1 ARG 83 HG2 0.13 0.09 0.14 -0.04 1.67 1.99 1cb5A1 ARG 83 HG3 0.14 0.04 -0.18 -0.04 1.67 1.62 1cb5A1 ARG 83 HD2 0.13 0.05 -0.02 -0.04 3.22 3.35 1cb5A1 ARG 83 HD3 0.07 -0.10 0.02 -0.04 3.22 3.18 1cb5A1 LEU 84 H 0.09 0.38 -0.34 -0.55 8.37 7.95 1cb5A1 LEU 84 HA 0.11 0.03 0.39 -0.75 4.35 4.13 1cb5A1 LEU 84 HB2 0.09 0.12 0.22 -0.04 1.64 2.02 1cb5A1 LEU 84 HB3 0.10 0.01 0.09 -0.04 1.64 1.80 1cb5A1 LEU 84 HG 0.09 0.18 0.16 -0.04 1.64 2.03 1cb5A1 LEU 84 HD13 0.10 -0.04 0.13 -0.04 0.93 1.08 1cb5A1 LEU 84 HD23 0.10 0.02 -0.04 -0.04 0.89 0.92 1cb5A1 PRO 85 HA 0.11 0.07 0.47 -0.51 4.44 4.57 1cb5A1 PRO 85 HB2 0.21 0.02 -0.03 -0.04 2.28 2.44 1cb5A1 PRO 85 HB3 0.16 0.07 0.09 -0.04 2.02 2.30 1cb5A1 PRO 85 HG2 0.24 0.04 0.05 -0.04 2.03 2.31 1cb5A1 PRO 85 HG3 0.16 0.06 0.11 -0.04 2.03 2.32 1cb5A1 PRO 85 HD2 0.07 0.30 -0.05 -0.04 3.68 3.95 1cb5A1 PRO 85 HD3 0.07 0.17 0.20 -0.04 3.65 4.05 1cb5A1 PHE 86 H 0.29 0.35 -0.24 -0.55 8.34 8.19 1cb5A1 PHE 86 HA 0.04 0.08 0.38 -0.75 4.62 4.37 1cb5A1 PHE 86 HB2 0.21 0.06 0.07 -0.04 3.15 3.45 1cb5A1 PHE 86 HB3 0.04 0.04 0.08 -0.04 3.06 3.18 1cb5A1 PHE 86 HD2 -0.37 0.12 -0.12 -0.04 7.28 6.88 1cb5A1 PHE 86 HE2 -1.22 -0.02 -0.14 -0.04 7.38 5.96 1cb5A1 PHE 86 HZ -0.10 -0.04 -0.11 -0.04 7.32 7.03 1cb5A1 MET 87 H 0.13 0.72 -0.17 -0.55 8.47 8.60 1cb5A1 MET 87 HA -0.22 -0.06 0.37 -0.75 4.52 3.85 1cb5A1 MET 87 HB2 0.07 0.15 0.11 -0.04 2.15 2.44 1cb5A1 MET 87 HB3 0.03 0.10 -0.03 -0.04 2.03 2.09 1cb5A1 MET 87 HG2 0.08 -0.12 -0.15 -0.04 2.63 2.40 1cb5A1 MET 87 HG3 0.16 0.04 0.00 -0.04 2.56 2.73 1cb5A1 MET 87 HE3 0.12 -0.02 -0.17 -0.04 2.10 1.99 1cb5A1 LYS 88 H 0.02 0.47 -0.20 -0.55 8.42 8.16 1cb5A1 LYS 88 HA 0.01 0.00 0.45 -0.75 4.32 4.03 1cb5A1 LYS 88 HB2 0.04 0.06 0.14 -0.04 1.87 2.07 1cb5A1 LYS 88 HB3 0.04 0.12 0.18 -0.04 1.79 2.09 1cb5A1 LYS 88 HG2 0.02 -0.02 -0.10 -0.04 1.46 1.32 1cb5A1 LYS 88 HG3 0.03 -0.05 0.05 -0.04 1.46 1.45 1cb5A1 LYS 88 HD2 0.05 0.01 0.02 -0.04 1.69 1.73 1cb5A1 LYS 88 HD3 0.05 0.03 0.01 -0.04 1.68 1.73 1cb5A1 LYS 88 HE2 0.03 -0.02 -0.02 -0.04 2.99 2.94 1cb5A1 LYS 88 HE3 0.03 -0.03 0.01 -0.04 2.99 2.96 1cb5A1 LYS 89 H -0.04 0.54 -0.15 -0.55 8.42 8.21 1cb5A1 LYS 89 HA -0.02 0.01 0.43 -0.75 4.32 3.98 1cb5A1 LYS 89 HB2 -0.01 0.19 0.17 -0.04 1.87 2.17 1cb5A1 LYS 89 HB3 -0.12 0.04 0.06 -0.04 1.79 1.73 1cb5A1 LYS 89 HG2 0.01 -0.04 0.04 -0.04 1.46 1.43 1cb5A1 LYS 89 HG3 0.02 0.00 0.00 -0.04 1.46 1.44 1cb5A1 LYS 89 HD2 -0.01 0.00 -0.10 -0.04 1.69 1.54 1cb5A1 LYS 89 HD3 -0.01 -0.01 0.10 -0.04 1.68 1.71 1cb5A1 LYS 89 HE2 0.01 -0.02 0.01 -0.04 2.99 2.95 1cb5A1 LYS 89 HE3 0.01 0.02 -0.01 -0.04 2.99 2.97 1cb5A1 LEU 90 H -0.27 0.49 -0.14 -0.55 8.37 7.90 1cb5A1 LEU 90 HA -0.09 0.12 0.64 -0.75 4.35 4.27 1cb5A1 LEU 90 HB2 -0.46 0.04 0.01 -0.04 1.64 1.19 1cb5A1 LEU 90 HB3 -0.19 -0.10 0.03 -0.04 1.64 1.34 1cb5A1 LEU 90 HG -0.86 0.14 -0.01 -0.04 1.64 0.87 1cb5A1 LEU 90 HD13 -0.18 -0.04 -0.08 -0.04 0.93 0.59 1cb5A1 LEU 90 HD23 -0.04 -0.00 -0.11 -0.04 0.89 0.69 1cb5A1 ASN 91 H -0.06 0.32 -0.60 -0.55 8.53 7.64 1cb5A1 ASN 91 HA -0.01 0.09 0.32 -0.75 4.76 4.41 1cb5A1 ASN 91 HB2 -0.00 0.10 -0.11 -0.04 2.88 2.83 1cb5A1 ASN 91 HB3 0.01 0.11 -0.03 -0.04 2.79 2.84 1cb5A1 ASN 91 HD21 0.01 -0.05 0.04 -0.04 7.03 6.99 1cb5A1 ASN 91 HD22 0.01 0.03 0.07 -0.04 7.74 7.81 1cb5A1 ILE 92 H -0.04 0.52 -0.01 -0.55 8.25 8.17 1cb5A1 ILE 92 HA 0.06 0.04 1.01 -0.75 4.18 4.54 1cb5A1 ILE 92 HB 0.09 0.00 -0.08 -0.04 1.89 1.86 1cb5A1 ILE 92 HG12 -0.15 0.05 -0.06 -0.04 1.49 1.29 1cb5A1 ILE 92 HG13 -0.00 0.01 -0.14 -0.04 1.21 1.03 1cb5A1 ILE 92 HG23 -0.04 0.05 -0.23 -0.04 0.93 0.67 1cb5A1 ILE 92 HD13 -0.17 -0.00 -0.17 -0.04 0.88 0.50 1cb5A1 GLU 93 H 0.07 0.11 0.11 -0.55 8.60 8.35 1cb5A1 GLU 93 HA 0.06 0.13 0.48 -0.75 4.29 4.20 1cb5A1 GLU 93 HB2 0.07 -0.04 0.15 -0.04 2.09 2.23 1cb5A1 GLU 93 HB3 0.06 0.01 -0.04 -0.04 1.99 1.98 1cb5A1 GLU 93 HG2 0.05 -0.04 0.01 -0.04 2.34 2.32 1cb5A1 GLU 93 HG3 0.05 0.01 0.03 -0.04 2.34 2.38 1cb5A1 GLU 94 H 0.12 0.10 0.04 -0.55 8.60 8.31 1cb5A1 GLU 94 HA 0.11 0.40 0.93 -0.75 4.29 4.97 1cb5A1 GLU 94 HB2 0.09 -0.07 0.01 -0.04 2.09 2.09 1cb5A1 GLU 94 HB3 0.07 0.01 -0.13 -0.04 1.99 1.90 1cb5A1 GLU 94 HG2 0.07 0.10 -0.25 -0.04 2.34 2.21 1cb5A1 GLU 94 HG3 0.07 -0.10 -0.34 -0.04 2.34 1.93 1cb5A1 PHE 95 H 0.13 0.77 0.39 -0.55 8.34 9.08 1cb5A1 PHE 95 HA -0.02 -0.00 0.55 -0.75 4.62 4.40 1cb5A1 PHE 95 HB2 0.04 0.13 -0.27 -0.04 3.15 3.01 1cb5A1 PHE 95 HB3 -0.02 0.05 -0.17 -0.04 3.06 2.88 1cb5A1 PHE 95 HD2 -0.18 0.05 -0.15 -0.04 7.28 6.96 1cb5A1 PHE 95 HE2 -2.15 -0.04 -0.15 -0.04 7.38 5.00 1cb5A1 PHE 95 HZ -0.95 -0.06 -0.17 -0.04 7.32 6.09 1cb5A1 GLU 96 H -1.58 0.21 0.19 -0.55 8.60 6.87 1cb5A1 GLU 96 HA -0.39 0.21 0.70 -0.75 4.29 4.05 1cb5A1 GLU 96 HB2 -0.38 -0.12 0.00 -0.04 2.09 1.56 1cb5A1 GLU 96 HB3 -0.30 0.08 -0.04 -0.04 1.99 1.69 1cb5A1 GLU 96 HG2 -0.11 0.13 -0.00 -0.04 2.34 2.32 1cb5A1 GLU 96 HG3 -0.13 0.02 -0.31 -0.04 2.34 1.88 1cb5A1 PHE 97 H -0.19 0.23 0.11 -0.55 8.34 7.93 1cb5A1 PHE 97 HA -0.38 0.10 0.63 -0.75 4.62 4.22 1cb5A1 PHE 97 HB2 -0.16 -0.01 0.03 -0.04 3.15 2.97 1cb5A1 PHE 97 HB3 -0.15 0.02 -0.02 -0.04 3.06 2.87 1cb5A1 PHE 97 HD2 -0.04 0.03 -0.12 -0.04 7.28 7.11 1cb5A1 PHE 97 HE2 -0.25 0.03 -0.34 -0.04 7.38 6.78 1cb5A1 PHE 97 HZ -0.87 0.09 -0.17 -0.04 7.32 6.34 1cb5A1 SER 98 H -0.11 0.94 0.17 -0.55 8.46 8.90 1cb5A1 SER 98 HA -0.13 -0.00 0.47 -0.75 4.49 4.07 1cb5A1 SER 98 HB2 -0.06 0.16 0.01 -0.04 3.95 4.01 1cb5A1 SER 98 HB3 -0.02 0.04 0.11 -0.04 3.93 4.02 1cb5A1 GLN 99 H -0.23 0.22 0.25 -0.55 8.47 8.16 1cb5A1 GLN 99 HA -0.26 0.10 0.43 -0.75 4.36 3.87 1cb5A1 GLN 99 HB2 -0.52 0.02 0.06 -0.04 2.15 1.67 1cb5A1 GLN 99 HB3 -0.74 -0.03 0.02 -0.04 2.02 1.22 1cb5A1 GLN 99 HG2 -2.70 -0.06 -0.04 -0.04 2.40 -0.43 1cb5A1 GLN 99 HG3 -0.69 0.06 -0.07 -0.04 2.39 1.64 1cb5A1 GLN 99 HE21 -0.15 0.01 -0.00 -0.04 6.97 6.79 1cb5A1 GLN 99 HE22 -0.47 -0.01 -0.02 -0.04 7.69 7.16 1cb5A1 SER 100 H -0.01 0.14 -0.17 -0.55 8.46 7.87 1cb5A1 SER 100 HA 0.16 0.06 0.42 -0.75 4.49 4.37 1cb5A1 SER 100 HB2 0.10 0.05 0.02 -0.04 3.95 4.07 1cb5A1 SER 100 HB3 -0.02 -0.12 0.01 -0.04 3.93 3.76 1cb5A1 TYR 101 H 0.29 0.11 -0.48 -0.55 8.29 7.66 1cb5A1 TYR 101 HA -0.06 0.12 0.35 -0.75 4.56 4.21 1cb5A1 TYR 101 HB2 0.05 0.04 0.04 -0.04 3.06 3.14 1cb5A1 TYR 101 HB3 -0.00 0.10 0.09 -0.04 2.98 3.13 1cb5A1 TYR 101 HD2 -0.34 -0.02 -0.10 -0.04 7.15 6.65 1cb5A1 TYR 101 HE2 0.11 0.14 -0.28 -0.04 6.85 6.78 1cb5A1 LEU 102 H 0.09 0.28 -0.14 -0.55 8.37 8.05 1cb5A1 LEU 102 HA -0.08 0.11 0.38 -0.75 4.35 4.00 1cb5A1 LEU 102 HB2 -0.14 0.02 0.04 -0.04 1.64 1.53 1cb5A1 LEU 102 HB3 -0.16 -0.03 -0.02 -0.04 1.64 1.39 1cb5A1 LEU 102 HG -0.01 0.05 0.03 -0.04 1.64 1.67 1cb5A1 LEU 102 HD13 -0.21 -0.02 -0.03 -0.04 0.93 0.64 1cb5A1 LEU 102 HD23 0.02 0.01 -0.07 -0.04 0.89 0.81 1cb5A1 PHE 103 H 0.12 0.37 -0.33 -0.55 8.34 7.95 1cb5A1 PHE 103 HA -0.06 0.00 0.32 -0.75 4.62 4.13 1cb5A1 PHE 103 HB2 -0.03 0.02 0.11 -0.04 3.15 3.20 1cb5A1 PHE 103 HB3 0.02 0.10 0.13 -0.04 3.06 3.27 1cb5A1 PHE 103 HD2 0.05 0.02 -0.05 -0.04 7.28 7.26 1cb5A1 PHE 103 HE2 0.06 -0.02 -0.06 -0.04 7.38 7.31 1cb5A1 PHE 103 HZ 0.02 -0.02 -0.04 -0.04 7.32 7.24 1cb5A1 PHE 104 H 0.10 0.55 -0.29 -0.55 8.34 8.15 1cb5A1 PHE 104 HA -0.40 -0.02 0.37 -0.75 4.62 3.82 1cb5A1 PHE 104 HB2 -0.17 0.05 0.07 -0.04 3.15 3.05 1cb5A1 PHE 104 HB3 -0.70 0.15 0.17 -0.04 3.06 2.64 1cb5A1 PHE 104 HD2 -1.30 -0.00 -0.16 -0.04 7.28 5.78 1cb5A1 PHE 104 HE2 -1.22 -0.00 -0.08 -0.04 7.38 6.03 1cb5A1 PHE 104 HZ -0.28 -0.03 0.00 -0.04 7.32 6.98 1cb5A1 TRP 105 H -0.27 0.46 -0.06 -0.55 7.97 7.55 1cb5A1 TRP 105 HA -0.39 -0.00 0.43 -0.75 4.62 3.90 1cb5A1 TRP 105 HB2 -0.52 0.07 0.14 -0.04 3.23 2.88 1cb5A1 TRP 105 HB3 -0.79 -0.04 0.01 -0.04 3.23 2.37 1cb5A1 TRP 105 HD1 -1.36 0.04 -0.07 -0.04 7.22 5.80 1cb5A1 TRP 105 HE1 -0.42 0.04 -0.03 -0.04 10.20 9.75 1cb5A1 TRP 105 HE3 -0.31 -0.09 0.06 -0.04 7.59 7.22 1cb5A1 TRP 105 HZ2 0.04 0.07 -0.04 -0.04 7.44 7.47 1cb5A1 TRP 105 HZ3 0.42 -0.04 -0.01 -0.04 7.13 7.46 1cb5A1 TRP 105 HH2 0.26 -0.01 -0.01 -0.04 7.19 7.39 1cb5A1 ASP 106 H -0.06 0.68 -0.12 -0.55 8.40 8.35 1cb5A1 ASP 106 HA 0.06 -0.01 0.39 -0.75 4.63 4.32 1cb5A1 ASP 106 HB2 0.12 -0.07 0.05 -0.04 2.71 2.78 1cb5A1 ASP 106 HB3 0.00 0.11 0.08 -0.04 2.70 2.86 1cb5A1 LYS 107 H -0.40 0.48 -0.34 -0.55 8.42 7.61 1cb5A1 LYS 107 HA -0.21 0.07 0.39 -0.75 4.32 3.81 1cb5A1 LYS 107 HB2 -0.75 0.09 0.12 -0.04 1.87 1.29 1cb5A1 LYS 107 HB3 -0.64 0.10 0.16 -0.04 1.79 1.37 1cb5A1 LYS 107 HG2 -0.36 -0.07 -0.04 -0.04 1.46 0.95 1cb5A1 LYS 107 HG3 -0.30 -0.06 -0.16 -0.04 1.46 0.90 1cb5A1 LYS 107 HD2 -0.15 -0.08 -0.01 -0.04 1.69 1.41 1cb5A1 LYS 107 HD3 -0.18 0.05 0.02 -0.04 1.68 1.52 1cb5A1 LYS 107 HE2 -0.72 0.05 -0.03 -0.04 2.99 2.25 1cb5A1 LYS 107 HE3 -0.18 -0.11 -0.04 -0.04 2.99 2.61 1cb5A1 VAL 108 H -0.51 0.46 -0.00 -0.55 8.24 7.64 1cb5A1 VAL 108 HA -0.29 0.02 0.52 -0.75 4.13 3.63 1cb5A1 VAL 108 HB -0.44 -0.05 0.03 -0.04 2.12 1.62 1cb5A1 VAL 108 HG13 -1.44 0.01 -0.01 -0.04 0.97 -0.51 1cb5A1 VAL 108 HG23 -0.21 0.06 0.12 -0.04 0.95 0.88 1cb5A1 GLU 109 H 0.01 0.66 -0.00 -0.55 8.60 8.73 1cb5A1 GLU 109 HA 0.22 -0.06 0.47 -0.75 4.29 4.17 1cb5A1 GLU 109 HB2 0.12 0.10 0.20 -0.04 2.09 2.47 1cb5A1 GLU 109 HB3 0.16 -0.00 0.15 -0.04 1.99 2.26 1cb5A1 GLU 109 HG2 0.27 0.03 0.10 -0.04 2.34 2.70 1cb5A1 GLU 109 HG3 0.26 -0.04 -0.03 -0.04 2.34 2.49 1cb5A1 ARG 110 H 0.06 0.71 -0.04 -0.55 8.46 8.63 1cb5A1 ARG 110 HA 0.21 -0.10 0.38 -0.75 4.34 4.07 1cb5A1 ARG 110 HB2 0.10 -0.02 0.22 -0.04 1.90 2.16 1cb5A1 ARG 110 HB3 0.05 0.09 0.16 -0.04 1.80 2.07 1cb5A1 ARG 110 HG2 0.28 -0.04 -0.11 -0.04 1.67 1.76 1cb5A1 ARG 110 HG3 0.34 -0.06 0.18 -0.04 1.67 2.09 1cb5A1 ARG 110 HD2 0.02 0.05 0.02 -0.04 3.22 3.27 1cb5A1 ARG 110 HD3 0.15 -0.00 0.06 -0.04 3.22 3.39 1cb5A1 CYS 111 H 0.08 0.41 -0.39 -0.55 8.50 8.05 1cb5A1 CYS 111 HA 0.13 0.04 0.44 -0.75 4.58 4.43 1cb5A1 CYS 111 HB2 0.04 0.14 0.21 -0.04 2.97 3.32 1cb5A1 CYS 111 HB3 0.13 -0.11 -0.02 -0.04 2.97 2.93 1cb5A1 TYR 112 H 0.28 0.58 -0.09 -0.55 8.29 8.51 1cb5A1 TYR 112 HA 0.10 -0.02 0.40 -0.75 4.56 4.28 1cb5A1 TYR 112 HB2 0.14 0.08 0.17 -0.04 3.06 3.40 1cb5A1 TYR 112 HB3 0.14 0.13 0.22 -0.04 2.98 3.43 1cb5A1 TYR 112 HD2 0.10 -0.01 0.03 -0.04 7.15 7.22 1cb5A1 TYR 112 HE2 0.05 0.00 -0.04 -0.04 6.85 6.82 1cb5A1 PHE 113 H 0.32 0.69 -0.20 -0.55 8.34 8.59 1cb5A1 PHE 113 HA -0.18 -0.10 0.27 -0.75 4.62 3.86 1cb5A1 PHE 113 HB2 0.01 -0.16 -0.27 -0.04 3.15 2.68 1cb5A1 PHE 113 HB3 0.04 0.31 -0.01 -0.04 3.06 3.36 1cb5A1 PHE 113 HD2 -0.26 0.04 -0.22 -0.04 7.28 6.79 1cb5A1 PHE 113 HE2 -0.27 0.12 -0.01 -0.04 7.38 7.18 1cb5A1 PHE 113 HZ -0.07 -0.14 -0.08 -0.04 7.32 7.00 1cb5A1 PHE 114 H 0.26 0.57 -0.25 -0.55 8.34 8.37 1cb5A1 PHE 114 HA -0.61 -0.01 0.50 -0.75 4.62 3.75 1cb5A1 PHE 114 HB2 -0.16 0.15 0.18 -0.04 3.15 3.28 1cb5A1 PHE 114 HB3 -0.69 -0.06 0.01 -0.04 3.06 2.27 1cb5A1 PHE 114 HD2 -0.07 0.16 0.09 -0.04 7.28 7.42 1cb5A1 PHE 114 HE2 0.06 0.02 0.11 -0.04 7.38 7.53 1cb5A1 PHE 114 HZ 0.07 -0.00 0.04 -0.04 7.32 7.39 1cb5A1 LEU 115 H -0.11 0.57 -0.17 -0.55 8.37 8.12 1cb5A1 LEU 115 HA 0.01 0.03 0.45 -0.75 4.35 4.08 1cb5A1 LEU 115 HB2 -0.08 0.17 0.17 -0.04 1.64 1.86 1cb5A1 LEU 115 HB3 0.04 -0.10 0.05 -0.04 1.64 1.59 1cb5A1 LEU 115 HG 0.16 0.28 0.04 -0.04 1.64 2.08 1cb5A1 LEU 115 HD13 0.17 -0.04 0.00 -0.04 0.93 1.02 1cb5A1 LEU 115 HD23 0.38 -0.02 -0.03 -0.04 0.89 1.18 1cb5A1 SER 116 H -0.38 0.49 -0.22 -0.55 8.46 7.80 1cb5A1 SER 116 HA -0.18 0.01 0.46 -0.75 4.49 4.02 1cb5A1 SER 116 HB2 -0.23 -0.07 0.08 -0.04 3.95 3.69 1cb5A1 SER 116 HB3 -0.42 0.06 0.09 -0.04 3.93 3.62 1cb5A1 ALA 117 H -0.62 0.43 -0.20 -0.55 8.40 7.47 1cb5A1 ALA 117 HA -0.22 -0.03 0.50 -0.75 4.34 3.83 1cb5A1 ALA 117 HB3 -0.76 0.05 0.11 -0.04 1.41 0.77 1cb5A1 PHE 118 H -0.36 0.55 -0.22 -0.55 8.34 7.76 1cb5A1 PHE 118 HA -0.06 0.02 0.40 -0.75 4.62 4.22 1cb5A1 PHE 118 HB2 -0.01 0.13 0.15 -0.04 3.15 3.38 1cb5A1 PHE 118 HB3 0.00 -0.06 0.05 -0.04 3.06 3.02 1cb5A1 PHE 118 HD2 0.04 -0.06 -0.08 -0.04 7.28 7.13 1cb5A1 PHE 118 HE2 0.12 -0.01 -0.12 -0.04 7.38 7.33 1cb5A1 PHE 118 HZ 0.06 0.00 -0.12 -0.04 7.32 7.21 1cb5A1 VAL 119 H 0.02 0.43 -0.25 -0.55 8.24 7.89 1cb5A1 VAL 119 HA 0.05 0.03 0.35 -0.75 4.13 3.80 1cb5A1 VAL 119 HB -0.04 0.10 0.19 -0.04 2.12 2.33 1cb5A1 VAL 119 HG13 0.00 -0.02 -0.12 -0.04 0.97 0.79 1cb5A1 VAL 119 HG23 0.02 0.05 0.04 -0.04 0.95 1.02 1cb5A1 ASP 120 H -0.04 0.73 -0.05 -0.55 8.40 8.49 1cb5A1 ASP 120 HA 0.02 -0.01 0.37 -0.75 4.63 4.25 1cb5A1 ASP 120 HB2 -0.01 0.14 0.17 -0.04 2.71 2.97 1cb5A1 ASP 120 HB3 0.08 -0.00 0.20 -0.04 2.70 2.94 1cb5A1 THR 121 H -0.01 0.65 -0.02 -0.55 8.28 8.35 1cb5A1 THR 121 HA 0.05 -0.04 0.27 -0.75 4.39 3.92 1cb5A1 THR 121 HB 0.01 -0.10 -0.01 -0.04 4.32 4.17 1cb5A1 THR 121 HG23 -0.24 0.01 0.02 -0.04 1.22 0.96 1cb5A1 ALA 122 H 0.04 0.42 -0.61 -0.55 8.40 7.70 1cb5A1 ALA 122 HA 0.04 0.02 0.49 -0.75 4.34 4.13 1cb5A1 ALA 122 HB3 0.04 0.05 0.16 -0.04 1.41 1.62 1cb5A1 GLN 123 H 0.03 0.60 0.10 -0.55 8.47 8.66 1cb5A1 GLN 123 HA 0.01 0.02 0.43 -0.75 4.36 4.07 1cb5A1 GLN 123 HB2 0.02 0.10 0.18 -0.04 2.15 2.41 1cb5A1 GLN 123 HB3 0.01 -0.07 0.07 -0.04 2.02 1.99 1cb5A1 GLN 123 HG2 0.01 -0.05 0.06 -0.04 2.40 2.38 1cb5A1 GLN 123 HG3 0.02 0.29 0.14 -0.04 2.39 2.80 1cb5A1 GLN 123 HE21 0.00 -0.06 -0.02 -0.04 6.97 6.85 1cb5A1 GLN 123 HE22 0.00 0.01 0.00 -0.04 7.69 7.67 1cb5A1 ARG 124 H 0.04 0.49 -0.26 -0.55 8.46 8.17 1cb5A1 ARG 124 HA 0.03 0.03 0.41 -0.75 4.34 4.05 1cb5A1 ARG 124 HB2 0.06 0.03 0.01 -0.04 1.90 1.96 1cb5A1 ARG 124 HB3 0.05 -0.05 0.09 -0.04 1.80 1.84 1cb5A1 ARG 124 HG2 0.04 -0.02 -0.01 -0.04 1.67 1.64 1cb5A1 ARG 124 HG3 0.05 0.03 -0.07 -0.04 1.67 1.64 1cb5A1 ARG 124 HD2 0.06 -0.03 -0.06 -0.04 3.22 3.16 1cb5A1 ARG 124 HD3 0.14 -0.03 -0.14 -0.04 3.22 3.14 1cb5A1 LYS 125 H 0.03 0.34 -1.21 -0.55 8.42 7.03 1cb5A1 LYS 125 HA 0.03 0.14 0.33 -0.75 4.32 4.07 1cb5A1 LYS 125 HB2 0.02 0.05 -0.13 -0.04 1.87 1.78 1cb5A1 LYS 125 HB3 0.02 -0.12 0.17 -0.04 1.79 1.82 1cb5A1 LYS 125 HG2 0.01 0.01 0.06 -0.04 1.46 1.50 1cb5A1 LYS 125 HG3 0.01 0.23 -0.05 -0.04 1.46 1.61 1cb5A1 LYS 125 HD2 0.01 -0.04 -0.01 -0.04 1.69 1.60 1cb5A1 LYS 125 HD3 0.00 -0.07 0.02 -0.04 1.68 1.60 1cb5A1 LYS 125 HE2 -0.03 0.01 0.03 -0.04 2.99 2.96 1cb5A1 LYS 125 HE3 -0.01 0.05 0.03 -0.04 2.99 3.02 1cb5A1 GLU 126 H 0.04 0.60 -0.02 -0.55 8.60 8.67 1cb5A1 GLU 126 HA 0.04 0.09 0.61 -0.75 4.29 4.28 1cb5A1 GLU 126 HB2 0.04 0.11 0.02 -0.04 2.09 2.22 1cb5A1 GLU 126 HB3 0.05 -0.11 -0.08 -0.04 1.99 1.81 1cb5A1 GLU 126 HG2 0.06 0.11 -0.08 -0.04 2.34 2.39 1cb5A1 GLU 126 HG3 0.07 -0.11 -0.01 -0.04 2.34 2.25 1cb5A1 PRO 127 HA 0.02 0.09 0.46 -0.51 4.44 4.50 1cb5A1 PRO 127 HB2 0.00 -0.10 -0.01 -0.04 2.28 2.14 1cb5A1 PRO 127 HB3 0.01 0.12 0.11 -0.04 2.02 2.22 1cb5A1 PRO 127 HG2 0.02 -0.19 0.14 -0.04 2.03 1.96 1cb5A1 PRO 127 HG3 0.02 0.08 0.10 -0.04 2.03 2.18 1cb5A1 PRO 127 HD2 0.04 0.02 0.27 -0.04 3.68 3.96 1cb5A1 PRO 127 HD3 0.03 0.30 0.25 -0.04 3.65 4.19 1cb5A1 GLU 128 H -0.00 0.17 0.17 -0.55 8.60 8.39 1cb5A1 GLU 128 HA -0.01 0.12 0.36 -0.75 4.29 4.01 1cb5A1 GLU 128 HB2 -0.04 0.04 0.01 -0.04 2.09 2.06 1cb5A1 GLU 128 HB3 -0.03 0.06 0.11 -0.04 1.99 2.10 1cb5A1 GLU 128 HG2 -0.02 -0.11 0.13 -0.04 2.34 2.31 1cb5A1 GLU 128 HG3 -0.03 0.02 -0.07 -0.04 2.34 2.23 1cb5A1 ASP 129 H -0.01 0.04 -0.24 -0.55 8.40 7.64 1cb5A1 ASP 129 HA -0.02 0.23 0.67 -0.75 4.63 4.76 1cb5A1 ASP 129 HB2 -0.02 0.03 0.12 -0.04 2.71 2.80 1cb5A1 ASP 129 HB3 -0.02 0.01 0.00 -0.04 2.70 2.65 1cb5A1 GLY 130 H 0.00 0.44 -0.65 -0.55 8.43 7.68 1cb5A1 GLY 130 HA2 -0.02 0.11 0.54 -0.51 4.01 4.12 1cb5A1 GLY 130 HA3 0.01 0.05 0.28 -0.51 4.01 3.84 1cb5A1 ARG 131 H -0.07 0.14 0.14 -0.55 8.46 8.12 1cb5A1 ARG 131 HA -0.13 0.14 0.31 -0.75 4.34 3.90 1cb5A1 ARG 131 HB2 -0.29 0.04 0.15 -0.04 1.90 1.76 1cb5A1 ARG 131 HB3 -0.33 -0.05 0.11 -0.04 1.80 1.49 1cb5A1 ARG 131 HG2 -1.21 -0.02 -0.16 -0.04 1.67 0.25 1cb5A1 ARG 131 HG3 -0.59 0.05 0.03 -0.04 1.67 1.12 1cb5A1 ARG 131 HD2 -0.62 0.01 0.02 -0.04 3.22 2.59 1cb5A1 ARG 131 HD3 -1.76 -0.03 -0.02 -0.04 3.22 1.36 1cb5A1 LEU 132 H 0.12 0.09 -0.13 -0.55 8.37 7.90 1cb5A1 LEU 132 HA 0.47 0.07 0.41 -0.75 4.35 4.55 1cb5A1 LEU 132 HB2 0.39 -0.02 0.08 -0.04 1.64 2.05 1cb5A1 LEU 132 HB3 0.17 0.01 0.07 -0.04 1.64 1.85 1cb5A1 LEU 132 HG 0.04 0.06 -0.31 -0.04 1.64 1.40 1cb5A1 LEU 132 HD13 0.18 -0.02 0.01 -0.04 0.93 1.06 1cb5A1 LEU 132 HD23 0.12 0.01 -0.03 -0.04 0.89 0.95 1cb5A1 VAL 133 H 0.09 0.14 -0.18 -0.55 8.24 7.74 1cb5A1 VAL 133 HA 0.10 0.04 0.37 -0.75 4.13 3.88 1cb5A1 VAL 133 HB 0.03 0.17 0.03 -0.04 2.12 2.31 1cb5A1 VAL 133 HG13 0.00 -0.01 -0.09 -0.04 0.97 0.83 1cb5A1 VAL 133 HG23 0.04 -0.02 -0.14 -0.04 0.95 0.79 1cb5A1 GLN 134 H 0.06 0.47 -0.28 -0.55 8.47 8.17 1cb5A1 GLN 134 HA 0.02 0.06 0.38 -0.75 4.36 4.06 1cb5A1 GLN 134 HB2 0.02 0.06 -0.01 -0.04 2.15 2.18 1cb5A1 GLN 134 HB3 0.02 -0.04 -0.08 -0.04 2.02 1.87 1cb5A1 GLN 134 HG2 -0.00 0.09 -0.11 -0.04 2.40 2.33 1cb5A1 GLN 134 HG3 -0.02 -0.02 -0.13 -0.04 2.39 2.18 1cb5A1 GLN 134 HE21 -0.03 -0.07 -0.04 -0.04 6.97 6.79 1cb5A1 GLN 134 HE22 -0.02 0.33 0.09 -0.04 7.69 8.06 1cb5A1 PHE 135 H 0.26 0.39 -0.31 -0.55 8.34 8.13 1cb5A1 PHE 135 HA 0.08 0.03 0.40 -0.75 4.62 4.38 1cb5A1 PHE 135 HB2 0.17 -0.01 0.09 -0.04 3.15 3.35 1cb5A1 PHE 135 HB3 0.25 0.14 0.16 -0.04 3.06 3.57 1cb5A1 PHE 135 HD2 0.19 -0.01 -0.14 -0.04 7.28 7.28 1cb5A1 PHE 135 HE2 0.18 0.03 -0.14 -0.04 7.38 7.41 1cb5A1 PHE 135 HZ 0.15 0.09 -0.13 -0.04 7.32 7.39 1cb5A1 LEU 136 H 0.28 0.46 -0.09 -0.55 8.37 8.47 1cb5A1 LEU 136 HA 0.20 0.05 0.39 -0.75 4.35 4.24 1cb5A1 LEU 136 HB2 0.25 0.10 0.08 -0.04 1.64 2.02 1cb5A1 LEU 136 HB3 0.37 -0.04 0.03 -0.04 1.64 1.97 1cb5A1 LEU 136 HG 0.19 0.15 0.01 -0.04 1.64 1.95 1cb5A1 LEU 136 HD13 -0.26 -0.04 -0.09 -0.04 0.93 0.49 1cb5A1 LEU 136 HD23 0.10 -0.01 -0.02 -0.04 0.89 0.92 1cb5A1 LEU 137 H 0.08 0.36 -0.53 -0.55 8.37 7.73 1cb5A1 LEU 137 HA 0.06 0.06 0.62 -0.75 4.35 4.34 1cb5A1 LEU 137 HB2 -0.01 0.11 0.09 -0.04 1.64 1.79 1cb5A1 LEU 137 HB3 -0.05 -0.08 0.09 -0.04 1.64 1.56 1cb5A1 LEU 137 HG 0.01 0.13 -0.02 -0.04 1.64 1.72 1cb5A1 LEU 137 HD13 -0.09 -0.03 -0.04 -0.04 0.93 0.72 1cb5A1 LEU 137 HD23 -0.22 -0.03 -0.02 -0.04 0.89 0.58 1cb5A1 MET 138 H -0.09 0.33 -0.38 -0.55 8.47 7.79 1cb5A1 MET 138 HA -0.06 -0.01 0.40 -0.75 4.52 4.09 1cb5A1 MET 138 HB2 -0.08 0.02 0.16 -0.04 2.15 2.22 1cb5A1 MET 138 HB3 -0.28 0.13 0.14 -0.04 2.03 1.98 1cb5A1 MET 138 HG2 -0.08 -0.02 -0.21 -0.04 2.63 2.27 1cb5A1 MET 138 HG3 -0.04 -0.06 0.03 -0.04 2.56 2.45 1cb5A1 MET 138 HE3 -0.06 0.01 -0.06 -0.04 2.10 1.95 1cb5A1 ASN 139 H -0.19 0.21 -0.28 -0.55 8.53 7.73 1cb5A1 ASN 139 HA -0.11 0.08 0.43 -0.75 4.76 4.41 1cb5A1 ASN 139 HB2 -0.08 0.16 -0.28 -0.04 2.88 2.64 1cb5A1 ASN 139 HB3 -0.11 0.02 -0.03 -0.04 2.79 2.63 1cb5A1 ASN 139 HD21 -0.01 -0.13 0.02 -0.04 7.03 6.86 1cb5A1 ASN 139 HD22 -0.03 0.07 0.01 -0.04 7.74 7.75 1cb5A1 PRO 140 HA -1.00 0.11 0.43 -0.51 4.44 3.47 1cb5A1 PRO 140 HB2 -0.71 -0.02 -0.01 -0.04 2.28 1.50 1cb5A1 PRO 140 HB3 -0.84 0.17 0.16 -0.04 2.02 1.47 1cb5A1 PRO 140 HG2 -0.18 -0.12 0.04 -0.04 2.03 1.73 1cb5A1 PRO 140 HG3 -0.06 0.05 0.05 -0.04 2.03 2.03 1cb5A1 PRO 140 HD2 -0.13 0.16 -0.09 -0.04 3.68 3.58 1cb5A1 PRO 140 HD3 -0.13 0.25 -0.05 -0.04 3.65 3.67 1cb5A1 ALA 141 H -0.19 0.08 -0.31 -0.55 8.40 7.44 1cb5A1 ALA 141 HA -0.14 0.19 0.50 -0.75 4.34 4.14 1cb5A1 ALA 141 HB3 -0.08 -0.02 0.04 -0.04 1.41 1.32 1cb5A1 ASN 142 H -0.13 0.44 -0.69 -0.55 8.53 7.60 1cb5A1 ASN 142 HA 0.01 -0.15 0.36 -0.75 4.76 4.23 1cb5A1 ASN 142 HB2 -0.05 0.15 0.13 -0.04 2.88 3.07 1cb5A1 ASN 142 HB3 -0.03 0.09 0.05 -0.04 2.79 2.86 1cb5A1 ASN 142 HD21 0.03 -0.02 0.05 -0.04 7.03 7.05 1cb5A1 ASN 142 HD22 0.03 -0.10 0.13 -0.04 7.74 7.76 1cb5A1 ASP 143 H 0.11 -0.00 0.17 -0.55 8.40 8.13 1cb5A1 ASP 143 HA 0.35 0.17 0.41 -0.75 4.63 4.81 1cb5A1 ASP 143 HB2 0.19 -0.04 0.16 -0.04 2.71 2.97 1cb5A1 ASP 143 HB3 0.35 -0.09 -0.20 -0.04 2.70 2.72 1cb5A1 GLY 144 H 0.08 -0.04 -0.09 -0.55 8.43 7.84 1cb5A1 GLY 144 HA2 -0.08 0.02 0.34 -0.51 4.01 3.79 1cb5A1 GLY 144 HA3 -0.10 0.07 0.09 -0.51 4.01 3.56 1cb5A1 GLY 145 H -1.31 0.76 0.09 -0.55 8.43 7.41 1cb5A1 GLY 145 HA2 -0.86 0.20 0.56 -0.51 4.01 3.40 1cb5A1 GLY 145 HA3 -3.29 0.00 0.21 -0.51 4.01 0.43 1cb5A1 GLN 146 H -0.40 0.19 0.10 -0.55 8.47 7.81 1cb5A1 GLN 146 HA 0.28 0.19 0.81 -0.75 4.36 4.89 1cb5A1 GLN 146 HB2 -0.02 0.04 -0.02 -0.04 2.15 2.11 1cb5A1 GLN 146 HB3 0.16 -0.08 0.02 -0.04 2.02 2.08 1cb5A1 GLN 146 HG2 0.03 0.04 -0.34 -0.04 2.40 2.09 1cb5A1 GLN 146 HG3 0.17 0.10 -0.09 -0.04 2.39 2.53 1cb5A1 GLN 146 HE21 0.42 0.02 -0.04 -0.04 6.97 7.33 1cb5A1 GLN 146 HE22 0.45 -0.08 0.02 -0.04 7.69 8.04 1cb5A1 TRP 147 H 0.27 0.22 0.07 -0.55 7.97 7.98 1cb5A1 TRP 147 HA -0.39 0.09 0.30 -0.75 4.62 3.87 1cb5A1 TRP 147 HB2 -0.71 0.04 0.04 -0.04 3.23 2.56 1cb5A1 TRP 147 HB3 -0.15 0.01 0.11 -0.04 3.23 3.16 1cb5A1 TRP 147 HD1 -0.09 0.01 -0.16 -0.04 7.22 6.94 1cb5A1 TRP 147 HE1 -0.09 0.23 -0.09 -0.04 10.20 10.20 1cb5A1 TRP 147 HE3 -1.77 -0.05 -0.06 -0.04 7.59 5.67 1cb5A1 TRP 147 HZ2 -0.10 0.14 0.00 -0.04 7.44 7.44 1cb5A1 TRP 147 HZ3 -0.44 -0.01 -0.03 -0.04 7.13 6.60 1cb5A1 TRP 147 HH2 0.11 0.04 -0.07 -0.04 7.19 7.22 1cb5A1 ASP 148 H 0.11 0.14 -0.08 -0.55 8.40 8.02 1cb5A1 ASP 148 HA -0.18 0.10 0.35 -0.75 4.63 4.15 1cb5A1 ASP 148 HB2 -0.04 -0.04 -0.04 -0.04 2.71 2.55 1cb5A1 ASP 148 HB3 -0.05 0.10 -0.13 -0.04 2.70 2.58 1cb5A1 MET 149 H -0.05 0.12 -0.53 -0.55 8.47 7.46 1cb5A1 MET 149 HA -0.05 0.04 0.39 -0.75 4.52 4.15 1cb5A1 MET 149 HB2 0.01 0.10 0.12 -0.04 2.15 2.34 1cb5A1 MET 149 HB3 0.12 0.08 -0.02 -0.04 2.03 2.17 1cb5A1 MET 149 HG2 -0.11 -0.12 -0.02 -0.04 2.63 2.33 1cb5A1 MET 149 HG3 -0.10 -0.04 -0.06 -0.04 2.56 2.32 1cb5A1 MET 149 HE3 -0.11 0.01 -0.20 -0.04 2.10 1.76 1cb5A1 LEU 150 H -0.08 0.41 -0.15 -0.55 8.37 8.00 1cb5A1 LEU 150 HA -0.07 0.03 0.39 -0.75 4.35 3.95 1cb5A1 LEU 150 HB2 -0.86 0.19 0.16 -0.04 1.64 1.08 1cb5A1 LEU 150 HB3 -0.49 -0.04 -0.03 -0.04 1.64 1.04 1cb5A1 LEU 150 HG 0.49 0.02 -0.12 -0.04 1.64 1.99 1cb5A1 LEU 150 HD13 -0.07 -0.01 -0.11 -0.04 0.93 0.70 1cb5A1 LEU 150 HD23 -0.37 -0.01 -0.12 -0.04 0.89 0.35 1cb5A1 VAL 151 H -0.58 0.44 -0.13 -0.55 8.24 7.42 1cb5A1 VAL 151 HA -0.33 -0.04 0.30 -0.75 4.13 3.31 1cb5A1 VAL 151 HB -0.21 0.16 0.12 -0.04 2.12 2.15 1cb5A1 VAL 151 HG13 -0.08 -0.01 -0.13 -0.04 0.97 0.71 1cb5A1 VAL 151 HG23 -0.57 0.06 -0.05 -0.04 0.95 0.35 1cb5A1 ASN 152 H -0.13 0.53 -0.20 -0.55 8.53 8.19 1cb5A1 ASN 152 HA -0.07 -0.01 0.34 -0.75 4.76 4.27 1cb5A1 ASN 152 HB2 -0.03 0.14 0.12 -0.04 2.88 3.07 1cb5A1 ASN 152 HB3 -0.02 -0.00 -0.08 -0.04 2.79 2.66 1cb5A1 ASN 152 HD21 -0.10 0.18 -0.10 -0.04 7.03 6.97 1cb5A1 ASN 152 HD22 -0.08 -0.10 -0.04 -0.04 7.74 7.48 1cb5A1 ILE 153 H -0.04 0.45 -0.18 -0.55 8.25 7.93 1cb5A1 ILE 153 HA 0.14 0.03 0.40 -0.75 4.18 4.00 1cb5A1 ILE 153 HB -0.04 0.05 0.16 -0.04 1.89 2.02 1cb5A1 ILE 153 HG12 0.07 0.15 0.07 -0.04 1.49 1.74 1cb5A1 ILE 153 HG13 0.08 -0.04 -0.01 -0.04 1.21 1.21 1cb5A1 ILE 153 HG23 0.02 0.01 -0.08 -0.04 0.93 0.83 1cb5A1 ILE 153 HD13 0.12 -0.01 -0.18 -0.04 0.88 0.78 1cb5A1 VAL 154 H -0.16 0.80 0.05 -0.55 8.24 8.38 1cb5A1 VAL 154 HA -0.17 0.20 0.42 -0.75 4.13 3.83 1cb5A1 VAL 154 HB -0.34 -0.01 0.06 -0.04 2.12 1.79 1cb5A1 VAL 154 HG13 -0.86 -0.01 -0.17 -0.04 0.97 -0.11 1cb5A1 VAL 154 HG23 -0.27 0.05 -0.02 -0.04 0.95 0.68 1cb5A1 GLU 155 H -0.15 0.64 -0.05 -0.55 8.60 8.50 1cb5A1 GLU 155 HA 0.04 -0.02 0.41 -0.75 4.29 3.97 1cb5A1 GLU 155 HB2 -0.06 0.15 0.08 -0.04 2.09 2.22 1cb5A1 GLU 155 HB3 -0.01 -0.03 0.04 -0.04 1.99 1.95 1cb5A1 GLU 155 HG2 -0.07 0.03 0.10 -0.04 2.34 2.36 1cb5A1 GLU 155 HG3 -0.01 -0.03 -0.00 -0.04 2.34 2.25 1cb5A1 LYS 156 H -0.11 0.31 -0.37 -0.55 8.42 7.69 1cb5A1 LYS 156 HA -0.22 0.11 0.79 -0.75 4.32 4.24 1cb5A1 LYS 156 HB2 -0.22 -0.04 0.06 -0.04 1.87 1.63 1cb5A1 LYS 156 HB3 -0.26 0.12 0.15 -0.04 1.79 1.76 1cb5A1 LYS 156 HG2 -1.71 0.01 -0.22 -0.04 1.46 -0.50 1cb5A1 LYS 156 HG3 -0.56 -0.04 0.07 -0.04 1.46 0.89 1cb5A1 LYS 156 HD2 -0.21 -0.01 -0.02 -0.04 1.69 1.41 1cb5A1 LYS 156 HD3 -0.22 -0.01 -0.04 -0.04 1.68 1.37 1cb5A1 LYS 156 HE2 -0.58 -0.00 -0.03 -0.04 2.99 2.34 1cb5A1 LYS 156 HE3 -0.35 -0.02 -0.01 -0.04 2.99 2.58 1cb5A1 TYR 157 H -0.05 0.58 0.09 -0.55 8.29 8.36 1cb5A1 TYR 157 HA -0.17 0.16 1.03 -0.75 4.56 4.82 1cb5A1 TYR 157 HB2 -0.25 0.11 0.01 -0.04 3.06 2.89 1cb5A1 TYR 157 HB3 -0.31 -0.06 0.04 -0.04 2.98 2.61 1cb5A1 TYR 157 HD2 -0.77 0.07 0.04 -0.04 7.15 6.45 1cb5A1 TYR 157 HE2 -1.01 -0.02 -0.04 -0.04 6.85 5.74 1cb5A1 GLY 158 H -0.03 0.65 0.15 -0.55 8.43 8.66 1cb5A1 GLY 158 HA2 -0.12 0.02 0.37 -0.51 4.01 3.77 1cb5A1 GLY 158 HA3 0.18 0.10 0.24 -0.51 4.01 4.02 1cb5A1 VAL 159 H 0.19 0.31 0.25 -0.55 8.24 8.44 1cb5A1 VAL 159 HA 0.05 0.16 0.70 -0.75 4.13 4.29 1cb5A1 VAL 159 HB -0.20 -0.12 0.06 -0.04 2.12 1.81 1cb5A1 VAL 159 HG13 -0.37 -0.01 -0.23 -0.04 0.97 0.33 1cb5A1 VAL 159 HG23 0.03 -0.00 -0.17 -0.04 0.95 0.77 1cb5A1 ILE 160 H -0.07 0.17 0.14 -0.55 8.25 7.94 1cb5A1 ILE 160 HA -0.54 0.16 0.57 -0.75 4.18 3.62 1cb5A1 ILE 160 HB -0.82 0.14 -0.23 -0.04 1.89 0.93 1cb5A1 ILE 160 HG12 -0.84 0.12 -0.16 -0.04 1.49 0.57 1cb5A1 ILE 160 HG13 -2.13 -0.01 0.04 -0.04 1.21 -0.93 1cb5A1 ILE 160 HG23 -0.64 -0.02 -0.13 -0.04 0.93 0.09 1cb5A1 ILE 160 HD13 -0.79 0.01 -0.14 -0.04 0.88 -0.08 1cb5A1 PRO 161 HA -0.57 0.14 0.57 -0.51 4.44 4.08 1cb5A1 PRO 161 HB2 -0.68 -0.02 -0.00 -0.04 2.28 1.54 1cb5A1 PRO 161 HB3 -0.98 0.07 0.09 -0.04 2.02 1.15 1cb5A1 PRO 161 HG2 -1.22 0.07 0.02 -0.04 2.03 0.86 1cb5A1 PRO 161 HG3 -0.96 0.08 0.01 -0.04 2.03 1.12 1cb5A1 PRO 161 HD2 -1.12 0.14 0.13 -0.04 3.68 2.78 1cb5A1 PRO 161 HD3 -1.12 0.17 0.11 -0.04 3.65 2.77 1cb5A1 LYS 162 H -0.62 0.73 0.29 -0.55 8.42 8.26 1cb5A1 LYS 162 HA -0.20 0.06 0.31 -0.75 4.32 3.74 1cb5A1 LYS 162 HB2 -0.33 0.04 -0.34 -0.04 1.87 1.20 1cb5A1 LYS 162 HB3 -0.30 0.01 0.02 -0.04 1.79 1.48 1cb5A1 LYS 162 HG2 -0.14 0.01 -0.21 -0.04 1.46 1.09 1cb5A1 LYS 162 HG3 -0.15 -0.07 0.01 -0.04 1.46 1.21 1cb5A1 LYS 162 HD2 -0.17 0.02 -0.07 -0.04 1.69 1.43 1cb5A1 LYS 162 HD3 -0.13 0.05 -0.07 -0.04 1.68 1.48 1cb5A1 LYS 162 HE2 -0.07 -0.00 -0.01 -0.04 2.99 2.86 1cb5A1 LYS 162 HE3 -0.08 -0.08 0.01 -0.04 2.99 2.80 1cb5A1 LYS 163 H -0.21 0.11 -0.20 -0.55 8.42 7.57 1cb5A1 LYS 163 HA -0.05 0.08 0.34 -0.75 4.32 3.95 1cb5A1 LYS 163 HB2 0.14 0.03 -0.01 -0.04 1.87 1.98 1cb5A1 LYS 163 HB3 0.08 0.04 0.14 -0.04 1.79 2.01 1cb5A1 LYS 163 HG2 -0.04 -0.07 -0.01 -0.04 1.46 1.29 1cb5A1 LYS 163 HG3 0.07 0.01 0.04 -0.04 1.46 1.53 1cb5A1 LYS 163 HD2 0.16 0.06 0.04 -0.04 1.69 1.90 1cb5A1 LYS 163 HD3 0.07 0.01 0.03 -0.04 1.68 1.75 1cb5A1 LYS 163 HE2 0.01 -0.04 -0.02 -0.04 2.99 2.89 1cb5A1 LYS 163 HE3 0.08 0.03 -0.00 -0.04 2.99 3.05 1cb5A1 CYS 164 H -0.18 0.37 -0.84 -0.55 8.50 7.30 1cb5A1 CYS 164 HA 0.00 0.20 0.92 -0.75 4.58 4.94 1cb5A1 CYS 164 HB2 -0.48 0.11 -0.04 -0.04 2.97 2.52 1cb5A1 CYS 164 HB3 -0.25 -0.01 0.06 -0.04 2.97 2.74 1cb5A1 PHE 165 H -0.06 0.33 -0.25 -0.55 8.34 7.80 1cb5A1 PHE 165 HA -0.08 0.13 0.42 -0.75 4.62 4.34 1cb5A1 PHE 165 HB2 -0.15 0.12 -0.13 -0.04 3.15 2.94 1cb5A1 PHE 165 HB3 -0.11 -0.18 0.08 -0.04 3.06 2.81 1cb5A1 PHE 165 HD2 -0.01 -0.10 -0.06 -0.04 7.28 7.06 1cb5A1 PHE 165 HE2 -0.09 -0.02 -0.43 -0.04 7.38 6.80 1cb5A1 PHE 165 HZ -0.21 0.06 -0.41 -0.04 7.32 6.72 1cb5A1 PRO 166 HA -0.16 0.00 0.52 -0.51 4.44 4.30 1cb5A1 PRO 166 HB2 -0.12 0.02 0.11 -0.04 2.28 2.25 1cb5A1 PRO 166 HB3 -0.10 -0.00 0.09 -0.04 2.02 1.96 1cb5A1 PRO 166 HG2 -0.24 0.14 -0.07 -0.04 2.03 1.82 1cb5A1 PRO 166 HG3 -0.12 0.00 0.01 -0.04 2.03 1.89 1cb5A1 PRO 166 HD2 -0.35 0.13 0.06 -0.04 3.68 3.48 1cb5A1 PRO 166 HD3 -0.11 0.13 -0.05 -0.04 3.65 3.58 1cb5A1 GLU 167 H -0.12 0.04 0.15 -0.55 8.60 8.12 1cb5A1 GLU 167 HA -0.12 0.01 0.48 -0.75 4.29 3.91 1cb5A1 GLU 167 HB2 -0.07 -0.00 0.06 -0.04 2.09 2.04 1cb5A1 GLU 167 HB3 -0.07 0.07 0.04 -0.04 1.99 1.99 1cb5A1 GLU 167 HG2 -0.06 -0.06 0.07 -0.04 2.34 2.24 1cb5A1 GLU 167 HG3 -0.01 0.05 0.01 -0.04 2.34 2.35 1cb5A1 SER 168 H -0.07 0.05 0.19 -0.55 8.46 8.08 1cb5A1 SER 168 HA -0.04 0.25 0.76 -0.75 4.49 4.70 1cb5A1 SER 168 HB2 0.01 0.07 0.22 -0.04 3.95 4.20 1cb5A1 SER 168 HB3 -0.08 0.25 0.00 -0.04 3.93 4.06 1cb5A1 TYR 169 H 0.12 0.26 0.15 -0.55 8.29 8.27 1cb5A1 TYR 169 HA -0.04 0.08 0.39 -0.75 4.56 4.24 1cb5A1 TYR 169 HB2 -0.03 0.04 0.16 -0.04 3.06 3.19 1cb5A1 TYR 169 HB3 -0.02 0.01 0.14 -0.04 2.98 3.07 1cb5A1 TYR 169 HD2 -0.02 0.01 -0.11 -0.04 7.15 6.99 1cb5A1 TYR 169 HE2 -0.02 -0.00 -0.00 -0.04 6.85 6.78 1cb5A1 THR 170 H 0.14 0.22 -0.10 -0.55 8.28 7.98 1cb5A1 THR 170 HA 0.09 0.22 0.34 -0.75 4.39 4.28 1cb5A1 THR 170 HB 0.09 0.19 0.05 -0.04 4.32 4.61 1cb5A1 THR 170 HG23 0.11 -0.01 -0.18 -0.04 1.22 1.11 1cb5A1 THR 171 H -0.01 0.11 -0.20 -0.55 8.28 7.63 1cb5A1 THR 171 HA -0.26 0.06 0.26 -0.75 4.39 3.69 1cb5A1 THR 171 HB -0.19 -0.01 0.08 -0.04 4.32 4.16 1cb5A1 THR 171 HG23 0.09 0.03 0.04 -0.04 1.22 1.35 1cb5A1 GLU 172 H -0.13 0.34 -0.64 -0.55 8.60 7.61 1cb5A1 GLU 172 HA -0.15 0.22 0.76 -0.75 4.29 4.37 1cb5A1 GLU 172 HB2 -0.21 0.14 0.06 -0.04 2.09 2.04 1cb5A1 GLU 172 HB3 -0.18 -0.11 0.12 -0.04 1.99 1.78 1cb5A1 GLU 172 HG2 -0.09 0.08 -0.10 -0.04 2.34 2.18 1cb5A1 GLU 172 HG3 -0.09 -0.07 -0.15 -0.04 2.34 1.99 1cb5A1 ALA 173 H -0.13 0.44 -0.29 -0.55 8.40 7.87 1cb5A1 ALA 173 HA -0.11 0.11 0.70 -0.75 4.34 4.29 1cb5A1 ALA 173 HB3 -0.18 -0.01 0.12 -0.04 1.41 1.30 1cb5A1 THR 174 H -0.07 0.48 0.19 -0.55 8.28 8.34 1cb5A1 THR 174 HA 0.04 0.12 0.55 -0.75 4.39 4.34 1cb5A1 THR 174 HB 0.14 -0.04 0.10 -0.04 4.32 4.47 1cb5A1 THR 174 HG23 -0.16 0.01 -0.02 -0.04 1.22 1.01 1cb5A1 ARG 175 H -0.01 0.17 -0.15 -0.55 8.46 7.92 1cb5A1 ARG 175 HA 0.01 0.06 0.31 -0.75 4.34 3.96 1cb5A1 ARG 175 HB2 -0.01 0.03 0.09 -0.04 1.90 1.97 1cb5A1 ARG 175 HB3 -0.00 -0.01 0.08 -0.04 1.80 1.82 1cb5A1 ARG 175 HG2 -0.00 0.00 -0.30 -0.04 1.67 1.33 1cb5A1 ARG 175 HG3 -0.01 0.03 -0.01 -0.04 1.67 1.64 1cb5A1 ARG 175 HD2 -0.02 0.01 -0.01 -0.04 3.22 3.17 1cb5A1 ARG 175 HD3 -0.01 -0.01 -0.03 -0.04 3.22 3.13 1cb5A1 ARG 176 H 0.03 0.19 -0.12 -0.55 8.46 8.00 1cb5A1 ARG 176 HA 0.00 0.07 0.41 -0.75 4.34 4.06 1cb5A1 ARG 176 HB2 0.04 0.03 0.11 -0.04 1.90 2.03 1cb5A1 ARG 176 HB3 0.01 0.03 0.01 -0.04 1.80 1.80 1cb5A1 ARG 176 HG2 0.04 -0.01 0.06 -0.04 1.67 1.72 1cb5A1 ARG 176 HG3 0.02 0.04 0.03 -0.04 1.67 1.72 1cb5A1 ARG 176 HD2 -0.01 0.02 0.02 -0.04 3.22 3.22 1cb5A1 ARG 176 HD3 0.00 -0.05 -0.06 -0.04 3.22 3.07 1cb5A1 MET 177 H 0.04 0.19 -0.08 -0.55 8.47 8.07 1cb5A1 MET 177 HA 0.01 0.04 0.43 -0.75 4.52 4.24 1cb5A1 MET 177 HB2 0.05 -0.01 0.11 -0.04 2.15 2.25 1cb5A1 MET 177 HB3 0.07 0.10 0.14 -0.04 2.03 2.30 1cb5A1 MET 177 HG2 0.00 -0.01 -0.27 -0.04 2.63 2.30 1cb5A1 MET 177 HG3 0.01 -0.01 -0.03 -0.04 2.56 2.48 1cb5A1 MET 177 HE3 0.09 0.01 -0.07 -0.04 2.10 2.09 1cb5A1 ASN 178 H 0.04 0.61 -0.08 -0.55 8.53 8.55 1cb5A1 ASN 178 HA -0.01 0.01 0.41 -0.75 4.76 4.42 1cb5A1 ASN 178 HB2 0.02 0.07 0.03 -0.04 2.88 2.96 1cb5A1 ASN 178 HB3 0.00 -0.04 -0.05 -0.04 2.79 2.67 1cb5A1 ASN 178 HD21 0.17 -0.06 -0.02 -0.04 7.03 7.08 1cb5A1 ASN 178 HD22 0.06 -0.09 -0.12 -0.04 7.74 7.55 1cb5A1 ASP 179 H -0.00 0.48 -0.26 -0.55 8.40 8.07 1cb5A1 ASP 179 HA -0.01 0.04 0.47 -0.75 4.63 4.38 1cb5A1 ASP 179 HB2 -0.01 0.14 0.20 -0.04 2.71 3.00 1cb5A1 ASP 179 HB3 -0.02 -0.05 0.01 -0.04 2.70 2.60 1cb5A1 ILE 180 H -0.01 0.48 -0.06 -0.55 8.25 8.10 1cb5A1 ILE 180 HA -0.03 0.02 0.49 -0.75 4.18 3.90 1cb5A1 ILE 180 HB -0.02 0.16 0.22 -0.04 1.89 2.21 1cb5A1 ILE 180 HG12 -0.05 -0.04 0.05 -0.04 1.49 1.40 1cb5A1 ILE 180 HG13 -0.03 0.12 0.11 -0.04 1.21 1.37 1cb5A1 ILE 180 HG23 -0.02 -0.02 -0.08 -0.04 0.93 0.77 1cb5A1 ILE 180 HD13 -0.02 -0.02 -0.01 -0.04 0.88 0.79 1cb5A1 LEU 181 H -0.03 0.61 -0.02 -0.55 8.37 8.38 1cb5A1 LEU 181 HA -0.06 0.00 0.46 -0.75 4.35 4.00 1cb5A1 LEU 181 HB2 -0.05 0.06 0.14 -0.04 1.64 1.75 1cb5A1 LEU 181 HB3 -0.07 -0.02 0.01 -0.04 1.64 1.52 1cb5A1 LEU 181 HG -0.04 0.12 0.01 -0.04 1.64 1.69 1cb5A1 LEU 181 HD13 -0.09 -0.00 -0.08 -0.04 0.93 0.72 1cb5A1 LEU 181 HD23 -0.06 -0.01 0.01 -0.04 0.89 0.79 1cb5A1 ASN 182 H -0.04 0.75 -0.09 -0.55 8.53 8.60 1cb5A1 ASN 182 HA -0.08 -0.04 0.36 -0.75 4.76 4.25 1cb5A1 ASN 182 HB2 -0.03 0.13 0.20 -0.04 2.88 3.14 1cb5A1 ASN 182 HB3 -0.05 0.03 -0.00 -0.04 2.79 2.73 1cb5A1 ASN 182 HD21 -0.06 -0.08 -0.07 -0.04 7.03 6.77 1cb5A1 ASN 182 HD22 -0.04 0.03 -0.02 -0.04 7.74 7.66 1cb5A1 HIS 183 H 0.04 0.44 -0.37 -0.55 8.41 7.98 1cb5A1 HIS 183 HA -0.09 0.03 0.42 -0.75 4.63 4.23 1cb5A1 HIS 183 HB2 -0.07 0.10 0.17 -0.04 3.26 3.42 1cb5A1 HIS 183 HB3 -0.10 0.12 0.23 -0.04 3.20 3.41 1cb5A1 HIS 183 HD2 -0.10 -0.01 -0.14 -0.04 6.97 6.68 1cb5A1 HIS 183 HE1 -0.04 -0.01 -0.00 -0.04 7.75 7.64 1cb5A1 LYS 184 H -0.06 0.56 0.01 -0.55 8.42 8.38 1cb5A1 LYS 184 HA -0.41 -0.03 0.41 -0.75 4.32 3.53 1cb5A1 LYS 184 HB2 -0.28 0.11 0.17 -0.04 1.87 1.83 1cb5A1 LYS 184 HB3 -0.91 -0.06 0.03 -0.04 1.79 0.80 1cb5A1 LYS 184 HG2 -0.05 0.21 0.13 -0.04 1.46 1.72 1cb5A1 LYS 184 HG3 -0.06 -0.04 0.01 -0.04 1.46 1.33 1cb5A1 LYS 184 HD2 -0.01 -0.04 0.00 -0.04 1.69 1.60 1cb5A1 LYS 184 HD3 0.03 -0.00 0.01 -0.04 1.68 1.68 1cb5A1 LYS 184 HE2 0.10 0.00 0.01 -0.04 2.99 3.06 1cb5A1 LYS 184 HE3 -0.36 -0.03 0.05 -0.04 2.99 2.61 1cb5A1 MET 185 H -0.21 0.74 -0.13 -0.55 8.47 8.32 1cb5A1 MET 185 HA 0.03 -0.03 0.37 -0.75 4.52 4.14 1cb5A1 MET 185 HB2 -0.03 0.12 0.12 -0.04 2.15 2.32 1cb5A1 MET 185 HB3 0.23 -0.02 -0.02 -0.04 2.03 2.18 1cb5A1 MET 185 HG2 -0.05 0.22 0.01 -0.04 2.63 2.77 1cb5A1 MET 185 HG3 -0.05 -0.04 -0.09 -0.04 2.56 2.33 1cb5A1 MET 185 HE3 0.17 0.04 -0.01 -0.04 2.10 2.26 1cb5A1 ARG 186 H -0.18 0.59 -0.17 -0.55 8.46 8.14 1cb5A1 ARG 186 HA -0.25 0.01 0.47 -0.75 4.34 3.82 1cb5A1 ARG 186 HB2 -0.25 0.18 0.26 -0.04 1.90 2.04 1cb5A1 ARG 186 HB3 -0.19 -0.10 0.06 -0.04 1.80 1.53 1cb5A1 ARG 186 HG2 -0.12 -0.06 0.10 -0.04 1.67 1.55 1cb5A1 ARG 186 HG3 -0.10 0.03 0.14 -0.04 1.67 1.69 1cb5A1 ARG 186 HD2 -0.12 0.00 -0.03 -0.04 3.22 3.04 1cb5A1 ARG 186 HD3 -0.10 -0.11 0.03 -0.04 3.22 2.99 1cb5A1 GLU 187 H -0.32 0.56 -0.06 -0.55 8.60 8.23 1cb5A1 GLU 187 HA -0.14 -0.02 0.44 -0.75 4.29 3.82 1cb5A1 GLU 187 HB2 -0.26 0.00 0.11 -0.04 2.09 1.91 1cb5A1 GLU 187 HB3 -0.30 0.15 0.21 -0.04 1.99 2.01 1cb5A1 GLU 187 HG2 0.12 -0.03 -0.21 -0.04 2.34 2.17 1cb5A1 GLU 187 HG3 -0.01 -0.04 0.04 -0.04 2.34 2.28 1cb5A1 PHE 188 H -0.16 0.76 -0.12 -0.55 8.34 8.27 1cb5A1 PHE 188 HA 0.00 -0.06 0.39 -0.75 4.62 4.20 1cb5A1 PHE 188 HB2 0.13 0.17 0.16 -0.04 3.15 3.57 1cb5A1 PHE 188 HB3 0.13 -0.09 0.03 -0.04 3.06 3.08 1cb5A1 PHE 188 HD2 0.07 -0.04 -0.10 -0.04 7.28 7.17 1cb5A1 PHE 188 HE2 0.05 -0.00 -0.02 -0.04 7.38 7.37 1cb5A1 PHE 188 HZ 0.05 -0.03 0.05 -0.04 7.32 7.36 1cb5A1 CYS 189 H -0.19 0.50 -0.30 -0.55 8.50 7.96 1cb5A1 CYS 189 HA -0.39 -0.02 0.47 -0.75 4.58 3.89 1cb5A1 CYS 189 HB2 -1.80 0.08 0.12 -0.04 2.97 1.33 1cb5A1 CYS 189 HB3 -0.52 0.17 0.22 -0.04 2.97 2.80 1cb5A1 ILE 190 H -0.16 0.54 -0.02 -0.55 8.25 8.07 1cb5A1 ILE 190 HA -0.09 -0.01 0.37 -0.75 4.18 3.69 1cb5A1 ILE 190 HB -0.05 0.19 0.23 -0.04 1.89 2.22 1cb5A1 ILE 190 HG12 -0.09 -0.06 0.06 -0.04 1.49 1.36 1cb5A1 ILE 190 HG13 -0.13 0.21 0.14 -0.04 1.21 1.40 1cb5A1 ILE 190 HG23 -0.04 -0.03 -0.09 -0.04 0.93 0.73 1cb5A1 ILE 190 HD13 -0.08 -0.02 0.02 -0.04 0.88 0.75 1cb5A1 ARG 191 H 0.02 0.53 -0.14 -0.55 8.46 8.31 1cb5A1 ARG 191 HA 0.01 -0.00 0.36 -0.75 4.34 3.95 1cb5A1 ARG 191 HB2 0.05 0.00 0.08 -0.04 1.90 1.99 1cb5A1 ARG 191 HB3 0.08 0.09 0.09 -0.04 1.80 2.02 1cb5A1 ARG 191 HG2 0.01 -0.00 -0.18 -0.04 1.67 1.45 1cb5A1 ARG 191 HG3 0.02 -0.05 0.05 -0.04 1.67 1.64 1cb5A1 ARG 191 HD2 0.03 -0.01 -0.01 -0.04 3.22 3.19 1cb5A1 ARG 191 HD3 0.03 0.02 -0.03 -0.04 3.22 3.20 1cb5A1 LEU 192 H 0.04 0.64 -0.16 -0.55 8.37 8.34 1cb5A1 LEU 192 HA 0.03 -0.01 0.57 -0.75 4.35 4.18 1cb5A1 LEU 192 HB2 0.11 0.13 0.17 -0.04 1.64 2.01 1cb5A1 LEU 192 HB3 0.09 -0.09 -0.02 -0.04 1.64 1.58 1cb5A1 LEU 192 HG 0.09 0.16 0.08 -0.04 1.64 1.93 1cb5A1 LEU 192 HD13 0.20 -0.00 0.04 -0.04 0.93 1.12 1cb5A1 LEU 192 HD23 0.02 -0.04 -0.01 -0.04 0.89 0.83 1cb5A1 ARG 193 H -0.01 0.77 -0.03 -0.55 8.46 8.64 1cb5A1 ARG 193 HA 0.04 0.01 0.46 -0.75 4.34 4.09 1cb5A1 ARG 193 HB2 -0.03 0.18 0.18 -0.04 1.90 2.19 1cb5A1 ARG 193 HB3 0.00 -0.08 0.04 -0.04 1.80 1.72 1cb5A1 ARG 193 HG2 0.01 -0.02 0.05 -0.04 1.67 1.68 1cb5A1 ARG 193 HG3 -0.03 0.08 0.05 -0.04 1.67 1.73 1cb5A1 ARG 193 HD2 -0.06 -0.01 -0.04 -0.04 3.22 3.06 1cb5A1 ARG 193 HD3 -0.09 -0.00 -0.10 -0.04 3.22 2.98 1cb5A1 ASN 194 H 0.00 0.46 -0.25 -0.55 8.53 8.19 1cb5A1 ASN 194 HA 0.01 0.03 0.41 -0.75 4.76 4.46 1cb5A1 ASN 194 HB2 -0.00 0.12 0.08 -0.04 2.88 3.03 1cb5A1 ASN 194 HB3 -0.00 -0.05 -0.00 -0.04 2.79 2.69 1cb5A1 ASN 194 HD21 -0.04 -0.05 -0.06 -0.04 7.03 6.83 1cb5A1 ASN 194 HD22 -0.02 -0.03 -0.07 -0.04 7.74 7.58 1cb5A1 LEU 195 H 0.03 0.32 -0.42 -0.55 8.37 7.75 1cb5A1 LEU 195 HA 0.03 0.05 0.45 -0.75 4.35 4.12 1cb5A1 LEU 195 HB2 0.03 0.19 0.23 -0.04 1.64 2.04 1cb5A1 LEU 195 HB3 0.02 -0.13 -0.04 -0.04 1.64 1.45 1cb5A1 LEU 195 HG 0.02 0.33 0.10 -0.04 1.64 2.04 1cb5A1 LEU 195 HD13 0.01 -0.04 -0.03 -0.04 0.93 0.82 1cb5A1 LEU 195 HD23 0.01 -0.03 -0.03 -0.04 0.89 0.80 1cb5A1 VAL 196 H 0.04 0.55 -0.02 -0.55 8.24 8.26 1cb5A1 VAL 196 HA 0.02 -0.03 0.37 -0.75 4.13 3.74 1cb5A1 VAL 196 HB 0.05 0.11 0.18 -0.04 2.12 2.41 1cb5A1 VAL 196 HG13 0.02 -0.01 -0.21 -0.04 0.97 0.73 1cb5A1 VAL 196 HG23 0.03 0.03 0.08 -0.04 0.95 1.04 1cb5A1 HIS 197 H 0.13 0.66 -0.10 -0.55 8.41 8.56 1cb5A1 HIS 197 HA 0.00 0.01 0.36 -0.75 4.63 4.25 1cb5A1 HIS 197 HB2 -0.00 0.05 0.12 -0.04 3.26 3.40 1cb5A1 HIS 197 HB3 -0.00 0.03 0.09 -0.04 3.20 3.28 1cb5A1 HIS 197 HD2 -0.00 -0.00 0.02 -0.04 6.97 6.95 1cb5A1 HIS 197 HE1 -0.00 -0.04 -0.02 -0.04 7.75 7.65 1cb5A1 SER 198 H 0.10 0.37 -0.60 -0.55 8.46 7.78 1cb5A1 SER 198 HA 0.06 0.10 0.76 -0.75 4.49 4.65 1cb5A1 SER 198 HB2 0.05 -0.10 0.16 -0.04 3.95 4.02 1cb5A1 SER 198 HB3 0.10 -0.01 0.07 -0.04 3.93 4.05 1cb5A1 GLY 199 H -0.01 0.50 -0.44 -0.55 8.43 7.94 1cb5A1 GLY 199 HA2 -0.01 0.05 0.36 -0.51 4.01 3.90 1cb5A1 GLY 199 HA3 -0.01 -0.08 0.33 -0.51 4.01 3.75 1cb5A1 ALA 200 H 0.01 0.37 -0.10 -0.55 8.40 8.14 1cb5A1 ALA 200 HA 0.01 0.07 0.49 -0.75 4.34 4.15 1cb5A1 ALA 200 HB3 0.01 -0.03 -0.05 -0.04 1.41 1.31 1cb5A1 THR 201 H 0.01 0.08 0.19 -0.55 8.28 8.00 1cb5A1 THR 201 HA 0.00 0.25 0.66 -0.75 4.39 4.55 1cb5A1 THR 201 HB 0.00 0.17 0.14 -0.04 4.32 4.59 1cb5A1 THR 201 HG23 0.01 -0.14 0.16 -0.04 1.22 1.20 1cb5A1 LYS 202 H 0.00 0.26 0.18 -0.55 8.42 8.31 1cb5A1 LYS 202 HA 0.01 0.10 0.34 -0.75 4.32 4.01 1cb5A1 LYS 202 HB2 0.01 -0.02 0.08 -0.04 1.87 1.90 1cb5A1 LYS 202 HB3 0.01 0.04 0.07 -0.04 1.79 1.87 1cb5A1 LYS 202 HG2 0.00 0.06 0.08 -0.04 1.46 1.56 1cb5A1 LYS 202 HG3 0.00 -0.00 0.15 -0.04 1.46 1.57 1cb5A1 LYS 202 HD2 0.00 -0.01 0.04 -0.04 1.69 1.68 1cb5A1 LYS 202 HD3 0.00 0.01 0.03 -0.04 1.68 1.68 1cb5A1 LYS 202 HE2 -0.00 0.03 0.02 -0.04 2.99 3.00 1cb5A1 LYS 202 HE3 0.00 0.01 0.04 -0.04 2.99 3.00 1cb5A1 GLY 203 H 0.01 0.04 -0.43 -0.55 8.43 7.50 1cb5A1 GLY 203 HA2 0.01 0.12 0.44 -0.51 4.01 4.07 1cb5A1 GLY 203 HA3 0.01 0.07 0.25 -0.51 4.01 3.83 1cb5A1 GLU 204 H 0.01 0.14 -0.04 -0.55 8.60 8.16 1cb5A1 GLU 204 HA 0.01 0.07 0.47 -0.75 4.29 4.08 1cb5A1 GLU 204 HB2 0.01 0.00 0.20 -0.04 2.09 2.25 1cb5A1 GLU 204 HB3 0.01 0.05 0.01 -0.04 1.99 2.02 1cb5A1 GLU 204 HG2 0.01 0.05 0.06 -0.04 2.34 2.41 1cb5A1 GLU 204 HG3 0.01 -0.06 0.06 -0.04 2.34 2.31 1cb5A1 ILE 205 H 0.01 0.53 -0.22 -0.55 8.25 8.02 1cb5A1 ILE 205 HA 0.01 0.06 0.41 -0.75 4.18 3.91 1cb5A1 ILE 205 HB 0.01 0.05 0.04 -0.04 1.89 1.96 1cb5A1 ILE 205 HG12 0.01 -0.00 -0.07 -0.04 1.49 1.39 1cb5A1 ILE 205 HG13 0.01 0.00 -0.23 -0.04 1.21 0.95 1cb5A1 ILE 205 HG23 0.01 0.01 -0.16 -0.04 0.93 0.74 1cb5A1 ILE 205 HD13 0.01 0.01 -0.14 -0.04 0.88 0.71 1cb5A1 SER 206 H 0.02 0.58 -0.09 -0.55 8.46 8.42 1cb5A1 SER 206 HA 0.06 0.01 0.36 -0.75 4.49 4.16 1cb5A1 SER 206 HB2 0.04 0.03 0.15 -0.04 3.95 4.12 1cb5A1 SER 206 HB3 0.03 0.08 0.20 -0.04 3.93 4.19 1cb5A1 ALA 207 H 0.02 0.50 -0.32 -0.55 8.40 8.04 1cb5A1 ALA 207 HA 0.01 0.02 0.45 -0.75 4.34 4.07 1cb5A1 ALA 207 HB3 0.00 0.02 0.11 -0.04 1.41 1.51 1cb5A1 THR 208 H 0.00 0.68 -0.01 -0.55 8.28 8.41 1cb5A1 THR 208 HA -0.03 -0.03 0.40 -0.75 4.39 3.98 1cb5A1 THR 208 HB -0.01 0.10 0.19 -0.04 4.32 4.56 1cb5A1 THR 208 HG23 -0.06 -0.02 -0.08 -0.04 1.22 1.02 1cb5A1 GLN 209 H 0.01 0.77 -0.13 -0.55 8.47 8.58 1cb5A1 GLN 209 HA -0.02 -0.02 0.39 -0.75 4.36 3.95 1cb5A1 GLN 209 HB2 0.12 0.14 0.11 -0.04 2.15 2.48 1cb5A1 GLN 209 HB3 0.19 -0.06 0.02 -0.04 2.02 2.14 1cb5A1 GLN 209 HG2 0.03 -0.04 -0.01 -0.04 2.40 2.34 1cb5A1 GLN 209 HG3 0.02 0.20 0.01 -0.04 2.39 2.58 1cb5A1 GLN 209 HE21 -0.11 -0.05 -0.15 -0.04 6.97 6.62 1cb5A1 GLN 209 HE22 -0.04 0.06 -0.25 -0.04 7.69 7.42 1cb5A1 ASP 210 H 0.03 0.50 -0.28 -0.55 8.40 8.10 1cb5A1 ASP 210 HA 0.03 -0.01 0.42 -0.75 4.63 4.31 1cb5A1 ASP 210 HB2 0.01 0.19 0.23 -0.04 2.71 3.09 1cb5A1 ASP 210 HB3 -0.01 -0.07 0.04 -0.04 2.70 2.62 1cb5A1 VAL 211 H -0.02 0.50 -0.10 -0.55 8.24 8.07 1cb5A1 VAL 211 HA -0.01 0.02 0.45 -0.75 4.13 3.84 1cb5A1 VAL 211 HB -0.06 0.14 0.18 -0.04 2.12 2.34 1cb5A1 VAL 211 HG13 -0.02 -0.02 -0.08 -0.04 0.97 0.81 1cb5A1 VAL 211 HG23 -0.01 0.02 0.03 -0.04 0.95 0.95 1cb5A1 MET 212 H -0.15 0.61 -0.06 -0.55 8.47 8.32 1cb5A1 MET 212 HA -0.39 0.00 0.46 -0.75 4.52 3.84 1cb5A1 MET 212 HB2 -0.27 0.13 0.18 -0.04 2.15 2.14 1cb5A1 MET 212 HB3 -1.19 -0.05 0.04 -0.04 2.03 0.78 1cb5A1 MET 212 HG2 -1.21 -0.06 0.02 -0.04 2.63 1.35 1cb5A1 MET 212 HG3 -0.38 0.24 0.05 -0.04 2.56 2.44 1cb5A1 MET 212 HE3 -0.11 -0.01 -0.03 -0.04 2.10 1.91 1cb5A1 MET 213 H 0.03 0.70 -0.12 -0.55 8.47 8.54 1cb5A1 MET 213 HA 0.21 -0.03 0.43 -0.75 4.52 4.38 1cb5A1 MET 213 HB2 0.09 0.17 0.16 -0.04 2.15 2.52 1cb5A1 MET 213 HB3 0.23 -0.06 0.05 -0.04 2.03 2.21 1cb5A1 MET 213 HG2 0.21 0.19 0.06 -0.04 2.63 3.05 1cb5A1 MET 213 HG3 0.11 -0.04 0.02 -0.04 2.56 2.61 1cb5A1 MET 213 HE3 0.22 0.02 0.08 -0.04 2.10 2.38 1cb5A1 GLU 214 H 0.06 0.37 -0.51 -0.55 8.60 7.98 1cb5A1 GLU 214 HA 0.11 0.02 0.44 -0.75 4.29 4.10 1cb5A1 GLU 214 HB2 0.03 0.08 0.16 -0.04 2.09 2.31 1cb5A1 GLU 214 HB3 0.05 0.20 0.16 -0.04 1.99 2.36 1cb5A1 GLU 214 HG2 0.06 -0.04 -0.06 -0.04 2.34 2.25 1cb5A1 GLU 214 HG3 0.03 -0.03 0.07 -0.04 2.34 2.37 1cb5A1 GLU 215 H 0.13 0.41 -0.23 -0.55 8.60 8.36 1cb5A1 GLU 215 HA 0.13 0.03 0.53 -0.75 4.29 4.22 1cb5A1 GLU 215 HB2 0.37 0.15 0.19 -0.04 2.09 2.76 1cb5A1 GLU 215 HB3 0.21 -0.07 0.07 -0.04 1.99 2.16 1cb5A1 GLU 215 HG2 0.12 -0.04 0.03 -0.04 2.34 2.40 1cb5A1 GLU 215 HG3 0.13 0.13 0.14 -0.04 2.34 2.71 1cb5A1 ILE 216 H 0.22 0.54 0.03 -0.55 8.25 8.49 1cb5A1 ILE 216 HA 0.06 -0.01 0.38 -0.75 4.18 3.86 1cb5A1 ILE 216 HB 0.13 0.11 0.19 -0.04 1.89 2.28 1cb5A1 ILE 216 HG12 0.35 0.22 0.03 -0.04 1.49 2.05 1cb5A1 ILE 216 HG13 0.21 -0.01 -0.03 -0.04 1.21 1.34 1cb5A1 ILE 216 HG23 -0.12 -0.01 -0.08 -0.04 0.93 0.68 1cb5A1 ILE 216 HD13 0.13 -0.02 -0.01 -0.04 0.88 0.94 1cb5A1 PHE 217 H 0.28 0.68 -0.23 -0.55 8.34 8.53 1cb5A1 PHE 217 HA -0.05 -0.03 0.39 -0.75 4.62 4.19 1cb5A1 PHE 217 HB2 0.03 0.19 0.18 -0.04 3.15 3.51 1cb5A1 PHE 217 HB3 0.04 -0.03 -0.04 -0.04 3.06 3.00 1cb5A1 PHE 217 HD2 0.06 0.10 0.05 -0.04 7.28 7.45 1cb5A1 PHE 217 HE2 0.12 0.00 -0.01 -0.04 7.38 7.45 1cb5A1 PHE 217 HZ 0.33 -0.00 -0.01 -0.04 7.32 7.59 1cb5A1 ARG 218 H 0.15 0.38 -0.35 -0.55 8.46 8.09 1cb5A1 ARG 218 HA 0.11 0.02 0.47 -0.75 4.34 4.18 1cb5A1 ARG 218 HB2 0.09 0.14 0.29 -0.04 1.90 2.38 1cb5A1 ARG 218 HB3 0.07 -0.07 0.01 -0.04 1.80 1.77 1cb5A1 ARG 218 HG2 0.07 -0.06 0.05 -0.04 1.67 1.69 1cb5A1 ARG 218 HG3 0.10 0.11 0.09 -0.04 1.67 1.92 1cb5A1 ARG 218 HD2 0.08 0.03 -0.05 -0.04 3.22 3.23 1cb5A1 ARG 218 HD3 0.06 -0.05 0.02 -0.04 3.22 3.22 1cb5A1 VAL 219 H 0.05 0.56 -0.01 -0.55 8.24 8.28 1cb5A1 VAL 219 HA 0.02 0.01 0.41 -0.75 4.13 3.82 1cb5A1 VAL 219 HB -0.01 0.13 0.18 -0.04 2.12 2.38 1cb5A1 VAL 219 HG13 -0.01 -0.02 -0.11 -0.04 0.97 0.78 1cb5A1 VAL 219 HG23 0.02 0.01 0.03 -0.04 0.95 0.97 1cb5A1 VAL 220 H -0.08 0.67 -0.01 -0.55 8.24 8.28 1cb5A1 VAL 220 HA -0.06 -0.04 0.39 -0.75 4.13 3.67 1cb5A1 VAL 220 HB -0.40 0.06 0.10 -0.04 2.12 1.84 1cb5A1 VAL 220 HG13 -0.52 0.00 -0.10 -0.04 0.97 0.32 1cb5A1 VAL 220 HG23 -0.30 0.02 0.00 -0.04 0.95 0.64 1cb5A1 CYS 221 H 0.06 0.61 -0.16 -0.55 8.50 8.47 1cb5A1 CYS 221 HA 0.23 0.19 0.45 -0.75 4.58 4.70 1cb5A1 CYS 221 HB2 0.14 0.16 0.18 -0.04 2.97 3.40 1cb5A1 CYS 221 HB3 0.13 -0.10 -0.04 -0.04 2.97 2.91 1cb5A1 ILE 222 H 0.06 0.52 -0.21 -0.55 8.25 8.07 1cb5A1 ILE 222 HA 0.04 0.01 0.46 -0.75 4.18 3.94 1cb5A1 ILE 222 HB 0.03 0.16 0.21 -0.04 1.89 2.25 1cb5A1 ILE 222 HG12 0.03 -0.07 0.05 -0.04 1.49 1.47 1cb5A1 ILE 222 HG13 0.05 0.12 0.09 -0.04 1.21 1.43 1cb5A1 ILE 222 HG23 0.02 -0.04 -0.11 -0.04 0.93 0.76 1cb5A1 ILE 222 HD13 0.03 -0.04 -0.03 -0.04 0.88 0.80 1cb5A1 CYS 223 H 0.05 0.41 -0.20 -0.55 8.50 8.21 1cb5A1 CYS 223 HA 0.04 0.06 0.66 -0.75 4.58 4.58 1cb5A1 CYS 223 HB2 0.05 0.11 0.13 -0.04 2.97 3.23 1cb5A1 CYS 223 HB3 0.07 -0.18 0.04 -0.04 2.97 2.86 1cb5A1 LEU 224 H 0.11 0.70 0.11 -0.55 8.37 8.74 1cb5A1 LEU 224 HA 0.07 0.03 1.01 -0.75 4.35 4.71 1cb5A1 LEU 224 HB2 0.36 0.18 0.02 -0.04 1.64 2.15 1cb5A1 LEU 224 HB3 0.28 -0.05 0.03 -0.04 1.64 1.86 1cb5A1 LEU 224 HG 0.12 0.09 0.01 -0.04 1.64 1.81 1cb5A1 LEU 224 HD13 0.30 -0.01 -0.06 -0.04 0.93 1.11 1cb5A1 LEU 224 HD23 0.20 -0.06 -0.32 -0.04 0.89 0.67 1cb5A1 GLY 225 H 0.11 0.42 0.07 -0.55 8.43 8.48 1cb5A1 GLY 225 HA2 0.06 0.04 0.34 -0.51 4.01 3.94 1cb5A1 GLY 225 HA3 0.07 0.14 0.76 -0.51 4.01 4.46 1cb5A1 ASN 226 H 0.09 0.11 0.11 -0.55 8.53 8.30 1cb5A1 ASN 226 HA -0.21 0.23 0.96 -0.75 4.76 4.99 1cb5A1 ASN 226 HB2 0.02 -0.04 0.09 -0.04 2.88 2.91 1cb5A1 ASN 226 HB3 -0.03 0.07 -0.01 -0.04 2.79 2.78 1cb5A1 ASN 226 HD21 0.04 -0.02 -0.01 -0.04 7.03 7.00 1cb5A1 ASN 226 HD22 0.04 -0.01 0.02 -0.04 7.74 7.75 1cb5A1 PRO 227 HA -1.04 0.08 0.39 -0.51 4.44 3.36 1cb5A1 PRO 227 HB2 -0.06 0.09 -0.01 -0.04 2.28 2.26 1cb5A1 PRO 227 HB3 -1.38 -0.02 0.07 -0.04 2.02 0.66 1cb5A1 PRO 227 HG2 -0.28 -0.00 0.07 -0.04 2.03 1.78 1cb5A1 PRO 227 HG3 -1.86 -0.01 0.04 -0.04 2.03 0.16 1cb5A1 PRO 227 HD2 -0.66 0.03 0.24 -0.04 3.68 3.25 1cb5A1 PRO 227 HD3 -2.30 0.18 0.13 -0.04 3.65 1.62 1cb5A1 PRO 228 HA 0.06 -0.00 0.54 -0.51 4.44 4.53 1cb5A1 PRO 228 HB2 0.09 -0.03 -0.09 -0.04 2.28 2.21 1cb5A1 PRO 228 HB3 0.10 0.07 0.16 -0.04 2.02 2.32 1cb5A1 PRO 228 HG2 -0.01 0.13 0.11 -0.04 2.03 2.22 1cb5A1 PRO 228 HG3 0.09 0.08 0.17 -0.04 2.03 2.32 1cb5A1 PRO 228 HD2 -0.23 0.03 0.16 -0.04 3.68 3.60 1cb5A1 PRO 228 HD3 -0.50 0.11 0.26 -0.04 3.65 3.47 1cb5A1 GLU 229 H 0.10 0.07 0.24 -0.55 8.60 8.47 1cb5A1 GLU 229 HA 0.16 0.14 0.69 -0.75 4.29 4.52 1cb5A1 GLU 229 HB2 0.09 -0.05 0.16 -0.04 2.09 2.24 1cb5A1 GLU 229 HB3 0.09 -0.03 0.07 -0.04 1.99 2.08 1cb5A1 GLU 229 HG2 0.14 0.04 0.02 -0.04 2.34 2.50 1cb5A1 GLU 229 HG3 0.10 0.04 0.07 -0.04 2.34 2.51 1cb5A1 THR 230 H 0.12 0.12 0.19 -0.55 8.28 8.16 1cb5A1 THR 230 HA 0.09 0.28 0.76 -0.75 4.39 4.77 1cb5A1 THR 230 HB -0.00 -0.02 -0.03 -0.04 4.32 4.22 1cb5A1 THR 230 HG23 0.05 -0.01 -0.24 -0.04 1.22 0.97 1cb5A1 PHE 231 H -0.26 0.56 0.41 -0.55 8.34 8.50 1cb5A1 PHE 231 HA 0.04 0.06 0.58 -0.75 4.62 4.55 1cb5A1 PHE 231 HB2 0.02 -0.01 0.08 -0.04 3.15 3.19 1cb5A1 PHE 231 HB3 -0.01 0.11 -0.23 -0.04 3.06 2.89 1cb5A1 PHE 231 HD2 -0.02 -0.03 -0.34 -0.04 7.28 6.86 1cb5A1 PHE 231 HE2 -0.22 -0.05 -0.20 -0.04 7.38 6.86 1cb5A1 PHE 231 HZ -1.13 -0.02 -0.05 -0.04 7.32 6.08 1cb5A1 THR 232 H 0.23 0.24 0.11 -0.55 8.28 8.31 1cb5A1 THR 232 HA -0.01 0.47 0.83 -0.75 4.39 4.92 1cb5A1 THR 232 HB 0.10 -0.03 0.09 -0.04 4.32 4.44 1cb5A1 THR 232 HG23 0.06 -0.00 -0.31 -0.04 1.22 0.92 1cb5A1 TRP 233 H 0.36 0.40 0.12 -0.55 7.97 8.29 1cb5A1 TRP 233 HA 0.16 0.13 0.80 -0.75 4.62 4.96 1cb5A1 TRP 233 HB2 0.25 -0.00 -0.01 -0.04 3.23 3.43 1cb5A1 TRP 233 HB3 0.21 0.01 0.16 -0.04 3.23 3.57 1cb5A1 TRP 233 HD1 0.11 0.01 -0.01 -0.04 7.22 7.29 1cb5A1 TRP 233 HE1 0.14 -0.01 -0.05 -0.04 10.20 10.25 1cb5A1 TRP 233 HE3 0.27 0.00 -0.02 -0.04 7.59 7.80 1cb5A1 TRP 233 HZ2 -0.14 0.03 -0.08 -0.04 7.44 7.21 1cb5A1 TRP 233 HZ3 0.01 0.05 -0.09 -0.04 7.13 7.05 1cb5A1 TRP 233 HH2 -0.75 0.05 -0.12 -0.04 7.19 6.33 1cb5A1 GLU 234 H 0.12 0.19 0.19 -0.55 8.60 8.56 1cb5A1 GLU 234 HA -0.39 0.22 0.96 -0.75 4.29 4.33 1cb5A1 GLU 234 HB2 0.01 -0.03 0.01 -0.04 2.09 2.04 1cb5A1 GLU 234 HB3 -0.08 0.06 0.13 -0.04 1.99 2.05 1cb5A1 GLU 234 HG2 0.06 -0.01 -0.16 -0.04 2.34 2.19 1cb5A1 GLU 234 HG3 0.10 0.03 0.05 -0.04 2.34 2.48 1cb5A1 TYR 235 H -0.81 0.57 0.30 -0.55 8.29 7.79 1cb5A1 TYR 235 HA -0.18 0.05 0.47 -0.75 4.56 4.15 1cb5A1 TYR 235 HB2 -0.16 0.01 0.07 -0.04 3.06 2.94 1cb5A1 TYR 235 HB3 -0.65 0.13 -0.33 -0.04 2.98 2.09 1cb5A1 TYR 235 HD2 -1.10 0.04 -0.54 -0.04 7.15 5.51 1cb5A1 TYR 235 HE2 -0.49 0.04 -0.19 -0.04 6.85 6.17 1cb5A1 ARG 236 H 0.08 0.21 0.16 -0.55 8.46 8.36 1cb5A1 ARG 236 HA -0.20 0.39 0.88 -0.75 4.34 4.65 1cb5A1 ARG 236 HB2 0.03 -0.05 0.05 -0.04 1.90 1.89 1cb5A1 ARG 236 HB3 0.01 0.03 -0.15 -0.04 1.80 1.64 1cb5A1 ARG 236 HG2 -0.01 0.02 -0.48 -0.04 1.67 1.16 1cb5A1 ARG 236 HG3 0.01 -0.09 -0.32 -0.04 1.67 1.22 1cb5A1 ARG 236 HD2 0.04 -0.04 -0.07 -0.04 3.22 3.11 1cb5A1 ARG 236 HD3 0.03 0.11 -0.12 -0.04 3.22 3.19 1cb5A1 ASP 237 H -0.07 0.41 0.17 -0.55 8.40 8.36 1cb5A1 ASP 237 HA 0.13 0.18 0.65 -0.75 4.63 4.84 1cb5A1 ASP 237 HB2 0.04 0.14 0.31 -0.04 2.71 3.16 1cb5A1 ASP 237 HB3 0.08 0.13 0.11 -0.04 2.70 2.99 1cb5A1 LYS 238 H 0.04 0.82 0.39 -0.55 8.42 9.12 1cb5A1 LYS 238 HA 0.04 0.03 0.42 -0.75 4.32 4.06 1cb5A1 LYS 238 HB2 0.02 0.04 0.10 -0.04 1.87 2.00 1cb5A1 LYS 238 HB3 0.03 -0.01 0.06 -0.04 1.79 1.82 1cb5A1 LYS 238 HG2 0.04 -0.11 -0.03 -0.04 1.46 1.32 1cb5A1 LYS 238 HG3 0.04 0.19 -0.33 -0.04 1.46 1.32 1cb5A1 LYS 238 HD2 0.02 0.02 -0.09 -0.04 1.69 1.60 1cb5A1 LYS 238 HD3 0.03 -0.03 -0.06 -0.04 1.68 1.58 1cb5A1 LYS 238 HE2 0.04 -0.05 -0.25 -0.04 2.99 2.68 1cb5A1 LYS 238 HE3 0.03 0.07 -0.47 -0.04 2.99 2.58 1cb5A1 ASP 239 H 0.01 0.06 -0.40 -0.55 8.40 7.53 1cb5A1 ASP 239 HA 0.01 0.17 0.60 -0.75 4.63 4.65 1cb5A1 ASP 239 HB2 -0.00 -0.04 0.04 -0.04 2.71 2.67 1cb5A1 ASP 239 HB3 0.00 0.01 0.13 -0.04 2.70 2.80 1cb5A1 LYS 240 H 0.02 0.65 -0.47 -0.55 8.42 8.06 1cb5A1 LYS 240 HA 0.02 0.06 0.22 -0.75 4.32 3.86 1cb5A1 LYS 240 HB2 0.01 0.24 0.08 -0.04 1.87 2.16 1cb5A1 LYS 240 HB3 0.01 -0.08 0.19 -0.04 1.79 1.88 1cb5A1 LYS 240 HG2 0.02 -0.01 -0.03 -0.04 1.46 1.40 1cb5A1 LYS 240 HG3 0.02 0.07 -0.28 -0.04 1.46 1.23 1cb5A1 LYS 240 HD2 0.01 0.01 -0.05 -0.04 1.69 1.62 1cb5A1 LYS 240 HD3 0.01 -0.05 0.00 -0.04 1.68 1.61 1cb5A1 LYS 240 HE2 0.02 -0.01 -0.01 -0.04 2.99 2.94 1cb5A1 LYS 240 HE3 0.02 0.04 -0.02 -0.04 2.99 2.98 1cb5A1 ASN 241 H -0.02 -0.03 -0.32 -0.55 8.53 7.62 1cb5A1 ASN 241 HA -0.00 0.16 0.84 -0.75 4.76 5.00 1cb5A1 ASN 241 HB2 -0.04 -0.09 0.03 -0.04 2.88 2.75 1cb5A1 ASN 241 HB3 -0.03 0.11 -0.01 -0.04 2.79 2.82 1cb5A1 ASN 241 HD21 -0.01 0.01 -0.02 -0.04 7.03 6.98 1cb5A1 ASN 241 HD22 -0.01 -0.02 -0.02 -0.04 7.74 7.65 1cb5A1 TYR 242 H 0.07 0.10 0.19 -0.55 8.29 8.11 1cb5A1 TYR 242 HA -0.19 0.09 0.50 -0.75 4.56 4.21 1cb5A1 TYR 242 HB2 -0.09 -0.01 0.14 -0.04 3.06 3.06 1cb5A1 TYR 242 HB3 -0.10 -0.04 0.14 -0.04 2.98 2.94 1cb5A1 TYR 242 HD2 -0.11 -0.03 -0.09 -0.04 7.15 6.87 1cb5A1 TYR 242 HE2 -0.09 -0.04 -0.07 -0.04 6.85 6.61 1cb5A1 GLN 243 H -1.14 0.56 0.50 -0.55 8.47 7.86 1cb5A1 GLN 243 HA -0.53 0.12 0.78 -0.75 4.36 3.98 1cb5A1 GLN 243 HB2 -2.33 0.00 -0.06 -0.04 2.15 -0.27 1cb5A1 GLN 243 HB3 -0.84 -0.06 0.07 -0.04 2.02 1.14 1cb5A1 GLN 243 HG2 -0.48 0.15 -0.34 -0.04 2.40 1.69 1cb5A1 GLN 243 HG3 -0.37 -0.00 -0.08 -0.04 2.39 1.89 1cb5A1 GLN 243 HE21 -0.09 -0.07 -0.04 -0.04 6.97 6.73 1cb5A1 GLN 243 HE22 -0.14 -0.10 -0.27 -0.04 7.69 7.14 1cb5A1 LYS 244 H -0.39 0.24 0.11 -0.55 8.42 7.83 1cb5A1 LYS 244 HA -0.35 0.29 0.68 -0.75 4.32 4.19 1cb5A1 LYS 244 HB2 -0.36 0.12 -0.04 -0.04 1.87 1.55 1cb5A1 LYS 244 HB3 -0.16 -0.06 -0.18 -0.04 1.79 1.35 1cb5A1 LYS 244 HG2 -0.01 -0.09 -0.43 -0.04 1.46 0.89 1cb5A1 LYS 244 HG3 -0.01 0.03 -0.30 -0.04 1.46 1.13 1cb5A1 LYS 244 HD2 0.15 0.01 -0.11 -0.04 1.69 1.71 1cb5A1 LYS 244 HD3 0.09 -0.02 -0.10 -0.04 1.68 1.61 1cb5A1 LYS 244 HE2 0.04 -0.04 -0.09 -0.04 2.99 2.87 1cb5A1 LYS 244 HE3 0.06 0.01 -0.14 -0.04 2.99 2.88 1cb5A1 ILE 245 H 0.06 0.55 0.17 -0.55 8.25 8.48 1cb5A1 ILE 245 HA 0.08 0.12 0.94 -0.75 4.18 4.57 1cb5A1 ILE 245 HB 0.43 -0.06 0.24 -0.04 1.89 2.46 1cb5A1 ILE 245 HG12 0.12 0.05 -0.03 -0.04 1.49 1.59 1cb5A1 ILE 245 HG13 0.25 -0.06 -0.13 -0.04 1.21 1.24 1cb5A1 ILE 245 HG23 0.17 0.04 -0.02 -0.04 0.93 1.07 1cb5A1 ILE 245 HD13 0.18 0.01 -0.03 -0.04 0.88 0.99 1cb5A1 GLY 246 H 0.04 0.17 -0.02 -0.55 8.43 8.07 1cb5A1 GLY 246 HA2 0.02 -0.01 0.22 -0.51 4.01 3.73 1cb5A1 GLY 246 HA3 0.02 0.03 0.27 -0.51 4.01 3.82 1cb5A1 PRO 247 HA -0.08 0.04 0.31 -0.51 4.44 4.19 1cb5A1 PRO 247 HB2 -0.00 -0.00 0.12 -0.04 2.28 2.36 1cb5A1 PRO 247 HB3 -0.00 0.00 0.04 -0.04 2.02 2.02 1cb5A1 PRO 247 HG2 0.01 0.02 0.06 -0.04 2.03 2.09 1cb5A1 PRO 247 HG3 0.01 0.03 0.05 -0.04 2.03 2.08 1cb5A1 PRO 247 HD2 0.01 0.09 0.14 -0.04 3.68 3.88 1cb5A1 PRO 247 HD3 0.02 0.08 0.16 -0.04 3.65 3.86 1cb5A1 ILE 248 H -0.32 0.44 0.50 -0.55 8.25 8.31 1cb5A1 ILE 248 HA -0.04 0.04 0.73 -0.75 4.18 4.16 1cb5A1 ILE 248 HB -0.02 0.13 -0.20 -0.04 1.89 1.76 1cb5A1 ILE 248 HG12 0.11 0.09 0.06 -0.04 1.49 1.70 1cb5A1 ILE 248 HG13 0.07 -0.06 0.13 -0.04 1.21 1.31 1cb5A1 ILE 248 HG23 -0.44 0.05 -0.03 -0.04 0.93 0.47 1cb5A1 ILE 248 HD13 0.31 -0.01 -0.20 -0.04 0.88 0.94 1cb5A1 THR 249 H 0.04 0.06 0.23 -0.55 8.28 8.06 1cb5A1 THR 249 HA 0.12 0.38 0.94 -0.75 4.39 5.08 1cb5A1 THR 249 HB 0.11 0.18 0.26 -0.04 4.32 4.83 1cb5A1 THR 249 HG23 0.05 0.03 0.07 -0.04 1.22 1.34 1cb5A1 PRO 250 HA 0.34 0.15 0.52 -0.51 4.44 4.95 1cb5A1 PRO 250 HB2 0.24 0.25 0.14 -0.04 2.28 2.87 1cb5A1 PRO 250 HB3 -0.17 0.01 -0.03 -0.04 2.02 1.78 1cb5A1 PRO 250 HG2 0.12 0.18 0.04 -0.04 2.03 2.33 1cb5A1 PRO 250 HG3 -0.05 -0.03 -0.02 -0.04 2.03 1.88 1cb5A1 PRO 250 HD2 0.20 0.13 0.27 -0.04 3.68 4.24 1cb5A1 PRO 250 HD3 0.29 0.16 0.05 -0.04 3.65 4.11 1cb5A1 LEU 251 H 0.16 0.17 -0.18 -0.55 8.37 7.97 1cb5A1 LEU 251 HA 0.19 0.08 0.27 -0.75 4.35 4.13 1cb5A1 LEU 251 HB2 0.04 0.16 -0.05 -0.04 1.64 1.74 1cb5A1 LEU 251 HB3 0.06 -0.09 0.04 -0.04 1.64 1.62 1cb5A1 LEU 251 HG 0.06 -0.09 -0.20 -0.04 1.64 1.37 1cb5A1 LEU 251 HD13 0.08 0.01 -0.15 -0.04 0.93 0.83 1cb5A1 LEU 251 HD23 -0.04 0.03 -0.00 -0.04 0.89 0.84 1cb5A1 GLU 252 H 0.14 0.07 -0.16 -0.55 8.60 8.10 1cb5A1 GLU 252 HA 0.08 0.05 0.41 -0.75 4.29 4.07 1cb5A1 GLU 252 HB2 0.12 -0.01 0.21 -0.04 2.09 2.38 1cb5A1 GLU 252 HB3 0.10 0.04 0.07 -0.04 1.99 2.16 1cb5A1 GLU 252 HG2 0.05 0.04 0.06 -0.04 2.34 2.45 1cb5A1 GLU 252 HG3 0.07 -0.04 0.10 -0.04 2.34 2.43 1cb5A1 PHE 253 H 0.36 0.76 -0.16 -0.55 8.34 8.75 1cb5A1 PHE 253 HA 0.31 -0.00 0.34 -0.75 4.62 4.52 1cb5A1 PHE 253 HB2 0.28 0.06 0.01 -0.04 3.15 3.45 1cb5A1 PHE 253 HB3 0.27 0.20 0.17 -0.04 3.06 3.67 1cb5A1 PHE 253 HD2 0.15 0.04 -0.15 -0.04 7.28 7.27 1cb5A1 PHE 253 HE2 0.13 -0.03 -0.12 -0.04 7.38 7.31 1cb5A1 PHE 253 HZ 0.06 -0.00 -0.09 -0.04 7.32 7.25 1cb5A1 TYR 254 H 0.37 0.59 -0.11 -0.55 8.29 8.59 1cb5A1 TYR 254 HA -0.02 -0.02 0.42 -0.75 4.56 4.19 1cb5A1 TYR 254 HB2 0.06 -0.18 0.22 -0.04 3.06 3.11 1cb5A1 TYR 254 HB3 0.06 0.19 0.28 -0.04 2.98 3.48 1cb5A1 TYR 254 HD2 -0.03 0.05 0.02 -0.04 7.15 7.15 1cb5A1 TYR 254 HE2 0.01 0.09 -0.04 -0.04 6.85 6.87 1cb5A1 ARG 255 H 0.03 0.65 -0.01 -0.55 8.46 8.58 1cb5A1 ARG 255 HA -0.45 -0.04 0.46 -0.75 4.34 3.55 1cb5A1 ARG 255 HB2 -0.03 0.05 0.17 -0.04 1.90 2.05 1cb5A1 ARG 255 HB3 -0.10 -0.02 0.00 -0.04 1.80 1.64 1cb5A1 ARG 255 HG2 -0.13 -0.06 0.05 -0.04 1.67 1.49 1cb5A1 ARG 255 HG3 0.02 0.07 0.09 -0.04 1.67 1.80 1cb5A1 ARG 255 HD2 0.01 -0.02 -0.06 -0.04 3.22 3.11 1cb5A1 ARG 255 HD3 -0.03 -0.03 -0.01 -0.04 3.22 3.11 1cb5A1 GLU 256 H -0.04 0.73 -0.02 -0.55 8.60 8.73 1cb5A1 GLU 256 HA -0.16 0.07 0.59 -0.75 4.29 4.04 1cb5A1 GLU 256 HB2 -0.04 0.08 0.13 -0.04 2.09 2.22 1cb5A1 GLU 256 HB3 -0.44 -0.03 -0.01 -0.04 1.99 1.46 1cb5A1 GLU 256 HG2 -0.09 -0.02 0.02 -0.04 2.34 2.20 1cb5A1 GLU 256 HG3 -0.03 -0.02 0.06 -0.04 2.34 2.31 1cb5A1 HIS 257 H -0.05 0.53 0.02 -0.55 8.41 8.37 1cb5A1 HIS 257 HA -0.03 0.25 1.00 -0.75 4.63 5.10 1cb5A1 HIS 257 HB2 -0.51 0.06 0.05 -0.04 3.26 2.83 1cb5A1 HIS 257 HB3 0.05 -0.03 0.09 -0.04 3.20 3.26 1cb5A1 HIS 257 HD2 0.06 0.02 -0.04 -0.04 6.97 6.96 1cb5A1 HIS 257 HE1 0.12 -0.02 -0.06 -0.04 7.75 7.75 1cb5A1 VAL 258 H -0.09 0.42 -0.01 -0.55 8.24 8.01 1cb5A1 VAL 258 HA 0.19 0.22 1.14 -0.75 4.13 4.93 1cb5A1 VAL 258 HB 0.19 0.00 0.21 -0.04 2.12 2.49 1cb5A1 VAL 258 HG13 0.18 0.02 -0.12 -0.04 0.97 1.00 1cb5A1 VAL 258 HG23 -0.10 0.00 -0.21 -0.04 0.95 0.59 1cb5A1 LYS 259 H -0.49 0.81 0.26 -0.55 8.42 8.45 1cb5A1 LYS 259 HA -0.12 0.15 0.29 -0.75 4.32 3.89 1cb5A1 LYS 259 HB2 -1.26 -0.03 0.01 -0.04 1.87 0.56 1cb5A1 LYS 259 HB3 -0.37 0.20 0.10 -0.04 1.79 1.68 1cb5A1 LYS 259 HG2 -0.15 -0.00 -0.08 -0.04 1.46 1.19 1cb5A1 LYS 259 HG3 -0.16 -0.18 0.09 -0.04 1.46 1.17 1cb5A1 LYS 259 HD2 -0.31 -0.00 -0.00 -0.04 1.69 1.34 1cb5A1 LYS 259 HD3 -0.20 0.08 -0.00 -0.04 1.68 1.52 1cb5A1 LYS 259 HE2 -0.04 0.04 -0.01 -0.04 2.99 2.94 1cb5A1 LYS 259 HE3 -0.05 -0.01 -0.02 -0.04 2.99 2.87 1cb5A1 PRO 260 HA -0.04 0.01 0.38 -0.51 4.44 4.28 1cb5A1 PRO 260 HB2 -0.02 0.05 -0.13 -0.04 2.28 2.14 1cb5A1 PRO 260 HB3 -0.03 -0.04 0.02 -0.04 2.02 1.92 1cb5A1 PRO 260 HG2 -0.10 0.21 -0.00 -0.04 2.03 2.09 1cb5A1 PRO 260 HG3 -0.09 -0.05 0.01 -0.04 2.03 1.85 1cb5A1 PRO 260 HD2 -0.08 -0.01 -0.58 -0.04 3.68 2.96 1cb5A1 PRO 260 HD3 -0.20 0.25 0.00 -0.04 3.65 3.66 1cb5A1 LEU 261 H 0.07 0.42 -0.35 -0.55 8.37 7.97 1cb5A1 LEU 261 HA 0.10 0.08 0.63 -0.75 4.35 4.40 1cb5A1 LEU 261 HB2 0.21 0.09 0.03 -0.04 1.64 1.93 1cb5A1 LEU 261 HB3 0.18 -0.09 -0.05 -0.04 1.64 1.64 1cb5A1 LEU 261 HG 0.09 0.00 -0.11 -0.04 1.64 1.58 1cb5A1 LEU 261 HD13 0.15 0.02 -0.07 -0.04 0.93 0.99 1cb5A1 LEU 261 HD23 0.06 -0.01 -0.07 -0.04 0.89 0.83 1cb5A1 PHE 262 H 0.19 0.69 -0.14 -0.55 8.34 8.53 1cb5A1 PHE 262 HA 0.10 0.07 0.59 -0.75 4.62 4.63 1cb5A1 PHE 262 HB2 0.14 0.09 -0.22 -0.04 3.15 3.12 1cb5A1 PHE 262 HB3 0.14 -0.06 0.02 -0.04 3.06 3.12 1cb5A1 PHE 262 HD2 0.13 0.04 -0.10 -0.04 7.28 7.30 1cb5A1 PHE 262 HE2 0.19 -0.01 -0.12 -0.04 7.38 7.39 1cb5A1 PHE 262 HZ 0.24 -0.04 -0.10 -0.04 7.32 7.38 1cb5A1 ASN 263 H -0.20 0.18 0.01 -0.55 8.53 7.97 1cb5A1 ASN 263 HA 0.06 0.14 1.00 -0.75 4.76 5.21 1cb5A1 ASN 263 HB2 -0.04 0.38 0.05 -0.04 2.88 3.24 1cb5A1 ASN 263 HB3 -0.06 -0.05 0.14 -0.04 2.79 2.78 1cb5A1 ASN 263 HD21 0.01 0.04 -0.09 -0.04 7.03 6.95 1cb5A1 ASN 263 HD22 -0.02 0.00 -0.08 -0.04 7.74 7.60 1cb5A1 MET 264 H 0.18 0.24 0.10 -0.55 8.47 8.45 1cb5A1 MET 264 HA 0.15 0.08 0.28 -0.75 4.52 4.27 1cb5A1 MET 264 HB2 0.03 0.00 0.08 -0.04 2.15 2.22 1cb5A1 MET 264 HB3 -0.09 -0.01 -0.01 -0.04 2.03 1.87 1cb5A1 MET 264 HG2 0.07 0.06 0.01 -0.04 2.63 2.73 1cb5A1 MET 264 HG3 -0.23 0.00 -0.05 -0.04 2.56 2.25 1cb5A1 MET 264 HE3 -0.82 -0.00 -0.18 -0.04 2.10 1.05 1cb5A1 GLU 265 H 0.06 0.07 -0.25 -0.55 8.60 7.94 1cb5A1 GLU 265 HA 0.08 0.13 0.43 -0.75 4.29 4.17 1cb5A1 GLU 265 HB2 0.02 0.01 -0.01 -0.04 2.09 2.08 1cb5A1 GLU 265 HB3 0.03 0.05 0.07 -0.04 1.99 2.09 1cb5A1 GLU 265 HG2 0.03 0.02 -0.01 -0.04 2.34 2.34 1cb5A1 GLU 265 HG3 0.05 -0.10 0.03 -0.04 2.34 2.28 1cb5A1 ASP 266 H -0.01 0.39 -0.38 -0.55 8.40 7.84 1cb5A1 ASP 266 HA -0.01 0.12 0.56 -0.75 4.63 4.55 1cb5A1 ASP 266 HB2 -0.09 0.16 0.09 -0.04 2.71 2.84 1cb5A1 ASP 266 HB3 -0.04 -0.16 0.18 -0.04 2.70 2.64 1cb5A1 LYS 267 H 0.07 0.35 -0.40 -0.55 8.42 7.88 1cb5A1 LYS 267 HA -0.09 0.13 0.84 -0.75 4.32 4.46 1cb5A1 LYS 267 HB2 -0.02 0.02 -0.03 -0.04 1.87 1.80 1cb5A1 LYS 267 HB3 -0.43 -0.03 -0.16 -0.04 1.79 1.12 1cb5A1 LYS 267 HG2 -0.03 0.11 -0.06 -0.04 1.46 1.44 1cb5A1 LYS 267 HG3 -0.03 -0.05 -0.14 -0.04 1.46 1.20 1cb5A1 LYS 267 HD2 -0.11 -0.01 -0.28 -0.04 1.69 1.25 1cb5A1 LYS 267 HD3 -0.11 -0.05 -0.51 -0.04 1.68 0.98 1cb5A1 LYS 267 HE2 -0.42 0.13 -0.11 -0.04 2.99 2.54 1cb5A1 LYS 267 HE3 -1.08 -0.01 -0.18 -0.04 2.99 1.68 1cb5A1 ILE 268 H -0.13 0.81 0.32 -0.55 8.25 8.70 1cb5A1 ILE 268 HA -0.03 0.17 0.93 -0.75 4.18 4.50 1cb5A1 ILE 268 HB -0.00 -0.02 0.01 -0.04 1.89 1.84 1cb5A1 ILE 268 HG12 -0.00 0.01 -0.18 -0.04 1.49 1.27 1cb5A1 ILE 268 HG13 0.03 -0.02 -0.08 -0.04 1.21 1.09 1cb5A1 ILE 268 HG23 0.05 -0.00 -0.20 -0.04 0.93 0.73 1cb5A1 ILE 268 HD13 0.02 0.07 -0.25 -0.04 0.88 0.69 1cb5A1 CYS 269 H -0.01 0.20 0.16 -0.55 8.50 8.31 1cb5A1 CYS 269 HA -0.11 0.26 1.03 -0.75 4.58 5.01 1cb5A1 CYS 269 HB2 -0.03 -0.09 0.07 -0.04 2.97 2.88 1cb5A1 CYS 269 HB3 0.15 0.12 0.26 -0.04 2.97 3.46 1cb5A1 LEU 270 H 0.05 0.70 0.42 -0.55 8.37 9.00 1cb5A1 LEU 270 HA 0.13 0.18 0.98 -0.75 4.35 4.90 1cb5A1 LEU 270 HB2 0.07 -0.09 0.09 -0.04 1.64 1.67 1cb5A1 LEU 270 HB3 0.17 0.06 0.01 -0.04 1.64 1.84 1cb5A1 LEU 270 HG 0.05 0.06 -0.16 -0.04 1.64 1.55 1cb5A1 LEU 270 HD13 0.07 -0.01 -0.13 -0.04 0.93 0.82 1cb5A1 LEU 270 HD23 0.18 0.02 -0.22 -0.04 0.89 0.84 1cb5A1 VAL 271 H 0.13 0.51 0.17 -0.55 8.24 8.50 1cb5A1 VAL 271 HA 0.07 0.24 1.19 -0.75 4.13 4.87 1cb5A1 VAL 271 HB -0.12 0.12 0.07 -0.04 2.12 2.15 1cb5A1 VAL 271 HG13 -0.18 -0.02 -0.20 -0.04 0.97 0.54 1cb5A1 VAL 271 HG23 0.02 -0.04 -0.37 -0.04 0.95 0.53 1cb5A1 ASN 272 H 0.08 0.68 0.16 -0.55 8.53 8.91 1cb5A1 ASN 272 HA 0.08 0.21 1.00 -0.75 4.76 5.30 1cb5A1 ASN 272 HB2 0.05 -0.02 -0.16 -0.04 2.88 2.71 1cb5A1 ASN 272 HB3 0.05 0.09 0.14 -0.04 2.79 3.03 1cb5A1 ASN 272 HD21 0.10 -0.12 -0.14 -0.04 7.03 6.82 1cb5A1 ASN 272 HD22 0.10 0.17 -0.08 -0.04 7.74 7.88 1cb5A1 ASP 273 H 0.08 0.20 -0.07 -0.55 8.40 8.07 1cb5A1 ASP 273 HA 0.09 0.19 0.84 -0.75 4.63 5.01 1cb5A1 ASP 273 HB2 -0.03 -0.01 -0.03 -0.04 2.71 2.60 1cb5A1 ASP 273 HB3 -0.01 0.06 0.10 -0.04 2.70 2.81 1cb5A1 PRO 274 HA 0.07 0.11 0.33 -0.51 4.44 4.44 1cb5A1 PRO 274 HB2 0.02 -0.14 0.01 -0.04 2.28 2.13 1cb5A1 PRO 274 HB3 0.03 0.05 0.05 -0.04 2.02 2.11 1cb5A1 PRO 274 HG2 0.05 -0.03 -0.21 -0.04 2.03 1.79 1cb5A1 PRO 274 HG3 0.06 0.02 -0.21 -0.04 2.03 1.85 1cb5A1 PRO 274 HD2 0.12 0.08 0.20 -0.04 3.68 4.04 1cb5A1 PRO 274 HD3 0.11 0.37 0.09 -0.04 3.65 4.18 1cb5A1 ARG 275 H -0.03 0.04 -0.44 -0.55 8.46 7.47 1cb5A1 ARG 275 HA -0.06 -0.01 0.39 -0.75 4.34 3.91 1cb5A1 ARG 275 HB2 -0.34 0.03 0.01 -0.04 1.90 1.57 1cb5A1 ARG 275 HB3 -0.33 -0.04 -0.06 -0.04 1.80 1.33 1cb5A1 ARG 275 HG2 -0.07 0.02 0.04 -0.04 1.67 1.62 1cb5A1 ARG 275 HG3 -0.07 -0.04 0.02 -0.04 1.67 1.55 1cb5A1 ARG 275 HD2 -0.23 -0.00 -0.03 -0.04 3.22 2.92 1cb5A1 ARG 275 HD3 -0.08 0.05 -0.07 -0.04 3.22 3.09 1cb5A1 PRO 276 HA -0.04 0.13 0.38 -0.51 4.44 4.40 1cb5A1 PRO 276 HB2 -0.02 -0.05 0.11 -0.04 2.28 2.28 1cb5A1 PRO 276 HB3 -0.01 0.04 0.07 -0.04 2.02 2.07 1cb5A1 PRO 276 HG2 -0.00 0.01 0.09 -0.04 2.03 2.08 1cb5A1 PRO 276 HG3 -0.01 0.07 0.14 -0.04 2.03 2.18 1cb5A1 PRO 276 HD2 -0.05 0.06 0.17 -0.04 3.68 3.82 1cb5A1 PRO 276 HD3 -0.03 0.06 0.25 -0.04 3.65 3.89 1cb5A1 GLN 277 H -0.06 0.06 -0.10 -0.55 8.47 7.82 1cb5A1 GLN 277 HA 0.05 0.04 0.28 -0.75 4.36 3.97 1cb5A1 GLN 277 HB2 0.11 0.03 0.07 -0.04 2.15 2.31 1cb5A1 GLN 277 HB3 0.01 -0.03 0.08 -0.04 2.02 2.03 1cb5A1 GLN 277 HG2 -0.31 0.08 -0.25 -0.04 2.40 1.88 1cb5A1 GLN 277 HG3 0.00 0.01 -0.07 -0.04 2.39 2.30 1cb5A1 GLN 277 HE21 -0.14 -0.02 -0.02 -0.04 6.97 6.75 1cb5A1 GLN 277 HE22 -0.19 0.04 -0.04 -0.04 7.69 7.46 1cb5A1 HIS 278 H -0.02 0.33 -0.82 -0.55 8.41 7.36 1cb5A1 HIS 278 HA 0.19 0.08 0.86 -0.75 4.63 5.00 1cb5A1 HIS 278 HB2 -0.11 0.16 0.07 -0.04 3.26 3.35 1cb5A1 HIS 278 HB3 -0.34 0.00 -0.04 -0.04 3.20 2.79 1cb5A1 HIS 278 HD2 0.07 0.09 -0.67 -0.04 6.97 6.42 1cb5A1 HIS 278 HE1 -0.09 -0.05 -0.06 -0.04 7.75 7.51 1cb5A1 LYS 279 H 0.24 0.11 0.11 -0.55 8.42 8.34 1cb5A1 LYS 279 HA -0.08 0.13 0.72 -0.75 4.32 4.34 1cb5A1 LYS 279 HB2 0.06 0.02 0.05 -0.04 1.87 1.97 1cb5A1 LYS 279 HB3 -0.00 -0.05 0.09 -0.04 1.79 1.78 1cb5A1 LYS 279 HG2 -0.01 0.03 -0.08 -0.04 1.46 1.36 1cb5A1 LYS 279 HG3 0.06 0.05 -0.12 -0.04 1.46 1.42 1cb5A1 LYS 279 HD2 0.02 0.00 0.00 -0.04 1.69 1.68 1cb5A1 LYS 279 HD3 0.00 -0.04 -0.01 -0.04 1.68 1.60 1cb5A1 LYS 279 HE2 0.01 -0.02 -0.04 -0.04 2.99 2.89 1cb5A1 LYS 279 HE3 0.03 0.04 -0.03 -0.04 2.99 2.98 1cb5A1 HIS 280 H -0.18 0.04 0.10 -0.55 8.41 7.82 1cb5A1 HIS 280 HA 0.11 0.14 0.33 -0.75 4.63 4.45 1cb5A1 HIS 280 HB2 0.02 -0.02 0.03 -0.04 3.26 3.26 1cb5A1 HIS 280 HB3 0.02 -0.02 0.17 -0.04 3.20 3.32 1cb5A1 HIS 280 HD2 0.02 -0.01 0.02 -0.04 6.97 6.95 1cb5A1 HIS 280 HE1 0.04 0.03 -0.22 -0.04 7.75 7.56 1cb5A1 ASN 281 H 0.12 0.44 0.30 -0.55 8.53 8.85 1cb5A1 ASN 281 HA 0.03 0.01 0.36 -0.75 4.76 4.40 1cb5A1 ASN 281 HB2 0.04 0.15 -0.18 -0.04 2.88 2.85 1cb5A1 ASN 281 HB3 0.00 -0.00 0.22 -0.04 2.79 2.97 1cb5A1 ASN 281 HD21 -0.02 -0.05 -0.04 -0.04 7.03 6.88 1cb5A1 ASN 281 HD22 0.05 0.03 -0.19 -0.04 7.74 7.59 1cb5A1 LYS 282 H 0.16 0.16 -0.32 -0.55 8.42 7.87 1cb5A1 LYS 282 HA -0.07 0.14 0.92 -0.75 4.32 4.56 1cb5A1 LYS 282 HB2 0.17 0.27 0.02 -0.04 1.87 2.30 1cb5A1 LYS 282 HB3 -0.47 -0.00 -0.00 -0.04 1.79 1.27 1cb5A1 LYS 282 HG2 0.02 0.17 -0.29 -0.04 1.46 1.31 1cb5A1 LYS 282 HG3 -0.02 -0.11 -0.01 -0.04 1.46 1.28 1cb5A1 LYS 282 HD2 -0.14 -0.02 0.09 -0.04 1.69 1.57 1cb5A1 LYS 282 HD3 -0.07 0.10 0.17 -0.04 1.68 1.84 1cb5A1 LYS 282 HE2 -0.02 0.02 -0.03 -0.04 2.99 2.93 1cb5A1 LYS 282 HE3 -0.03 -0.06 0.01 -0.04 2.99 2.87 1cb5A1 LEU 283 H -0.18 0.19 0.15 -0.55 8.37 7.98 1cb5A1 LEU 283 HA 0.06 0.24 0.88 -0.75 4.35 4.78 1cb5A1 LEU 283 HB2 -0.04 0.16 -0.05 -0.04 1.64 1.68 1cb5A1 LEU 283 HB3 -0.10 -0.03 -0.11 -0.04 1.64 1.36 1cb5A1 LEU 283 HG -0.03 -0.05 -0.13 -0.04 1.64 1.40 1cb5A1 LEU 283 HD13 0.05 0.02 -0.20 -0.04 0.93 0.76 1cb5A1 LEU 283 HD23 -0.03 0.03 -0.11 -0.04 0.89 0.74 1cb5A1 TYR 284 H 0.21 0.56 0.43 -0.55 8.29 8.93 1cb5A1 TYR 284 HA -0.06 0.21 1.04 -0.75 4.56 5.00 1cb5A1 TYR 284 HB2 0.11 -0.09 0.02 -0.04 3.06 3.06 1cb5A1 TYR 284 HB3 -0.04 0.01 0.07 -0.04 2.98 2.98 1cb5A1 TYR 284 HD2 -0.10 0.05 -0.11 -0.04 7.15 6.94 1cb5A1 TYR 284 HE2 -0.16 0.06 -0.04 -0.04 6.85 6.67 1cb5A1 THR 285 H 0.03 0.66 0.32 -0.55 8.28 8.74 1cb5A1 THR 285 HA -0.22 0.22 0.75 -0.75 4.39 4.38 1cb5A1 THR 285 HB -0.10 0.04 -0.20 -0.04 4.32 4.01 1cb5A1 THR 285 HG23 -0.09 -0.01 -0.30 -0.04 1.22 0.78 1cb5A1 VAL 286 H -0.19 0.24 0.14 -0.55 8.24 7.88 1cb5A1 VAL 286 HA -0.09 0.14 0.83 -0.75 4.13 4.26 1cb5A1 VAL 286 HB -0.04 -0.03 0.08 -0.04 2.12 2.09 1cb5A1 VAL 286 HG13 -0.05 0.10 -0.16 -0.04 0.97 0.81 1cb5A1 VAL 286 HG23 0.08 -0.03 -0.23 -0.04 0.95 0.73 1cb5A1 GLU 287 H -0.14 0.66 0.11 -0.55 8.60 8.68 1cb5A1 GLU 287 HA -0.19 -0.01 0.39 -0.75 4.29 3.73 1cb5A1 GLU 287 HB2 -0.15 0.13 0.09 -0.04 2.09 2.12 1cb5A1 GLU 287 HB3 -0.07 -0.15 0.12 -0.04 1.99 1.85 1cb5A1 GLU 287 HG2 -0.49 0.01 -0.11 -0.04 2.34 1.71 1cb5A1 GLU 287 HG3 -0.37 -0.00 0.02 -0.04 2.34 1.95 1cb5A1 TYR 288 H -0.27 0.12 0.16 -0.55 8.29 7.74 1cb5A1 TYR 288 HA 0.21 -0.01 0.30 -0.75 4.56 4.30 1cb5A1 TYR 288 HB2 0.06 0.24 0.01 -0.04 3.06 3.33 1cb5A1 TYR 288 HB3 0.00 0.03 0.18 -0.04 2.98 3.15 1cb5A1 TYR 288 HD2 -0.12 0.01 -0.12 -0.04 7.15 6.88 1cb5A1 TYR 288 HE2 -0.08 -0.01 -0.02 -0.04 6.85 6.70 1cb5A1 LEU 289 H 0.00 0.39 -0.50 -0.55 8.37 7.72 1cb5A1 LEU 289 HA 0.07 0.19 0.56 -0.75 4.35 4.42 1cb5A1 LEU 289 HB2 0.03 0.06 -0.05 -0.04 1.64 1.64 1cb5A1 LEU 289 HB3 -0.07 -0.05 0.22 -0.04 1.64 1.70 1cb5A1 LEU 289 HG -0.03 -0.13 -0.07 -0.04 1.64 1.37 1cb5A1 LEU 289 HD13 0.09 0.05 -0.05 -0.04 0.93 0.98 1cb5A1 LEU 289 HD23 0.06 -0.04 0.01 -0.04 0.89 0.88 1cb5A1 SER 290 H -0.28 0.61 0.09 -0.55 8.46 8.34 1cb5A1 SER 290 HA -0.31 0.06 0.63 -0.75 4.49 4.12 1cb5A1 SER 290 HB2 -0.38 0.04 -0.30 -0.04 3.95 3.27 1cb5A1 SER 290 HB3 -1.50 0.02 -0.19 -0.04 3.93 2.22 1cb5A1 ASN 291 H -0.29 0.11 0.09 -0.55 8.53 7.89 1cb5A1 ASN 291 HA -0.10 0.30 0.91 -0.75 4.76 5.12 1cb5A1 ASN 291 HB2 0.06 0.10 0.19 -0.04 2.88 3.18 1cb5A1 ASN 291 HB3 -0.03 0.03 -0.05 -0.04 2.79 2.69 1cb5A1 ASN 291 HD21 0.10 0.13 0.01 -0.04 7.03 7.23 1cb5A1 ASN 291 HD22 0.15 0.03 0.03 -0.04 7.74 7.91 1cb5A1 MET 292 H -0.41 0.11 -0.10 -0.55 8.47 7.53 1cb5A1 MET 292 HA 0.12 0.18 0.55 -0.75 4.52 4.62 1cb5A1 MET 292 HB2 0.03 0.07 -0.35 -0.04 2.15 1.86 1cb5A1 MET 292 HB3 -0.03 -0.11 -0.07 -0.04 2.03 1.78 1cb5A1 MET 292 HG2 0.09 0.19 -0.30 -0.04 2.63 2.57 1cb5A1 MET 292 HG3 0.13 0.01 0.01 -0.04 2.56 2.67 1cb5A1 MET 292 HE3 0.10 0.04 -0.19 -0.04 2.10 2.01 1cb5A1 VAL 293 H 0.26 0.20 0.05 -0.55 8.24 8.20 1cb5A1 VAL 293 HA 0.25 0.03 0.45 -0.75 4.13 4.10 1cb5A1 VAL 293 HB 0.26 0.02 0.09 -0.04 2.12 2.45 1cb5A1 VAL 293 HG13 0.02 0.01 -0.11 -0.04 0.97 0.84 1cb5A1 VAL 293 HG23 -0.25 0.01 -0.08 -0.04 0.95 0.60 1cb5A1 GLY 294 H 0.08 0.12 0.19 -0.55 8.43 8.27 1cb5A1 GLY 294 HA2 0.02 0.00 0.31 -0.51 4.01 3.83 1cb5A1 GLY 294 HA3 0.04 0.08 0.44 -0.51 4.01 4.06 1cb5A1 GLY 295 H -0.00 0.33 -0.28 -0.55 8.43 7.93 1cb5A1 GLY 295 HA2 -0.03 0.15 0.59 -0.51 4.01 4.22 1cb5A1 GLY 295 HA3 -0.04 -0.04 0.19 -0.51 4.01 3.61 1cb5A1 ARG 296 H -0.05 0.06 0.07 -0.55 8.46 7.99 1cb5A1 ARG 296 HA -0.04 0.05 0.36 -0.75 4.34 3.95 1cb5A1 ARG 296 HB2 -0.06 -0.06 0.04 -0.04 1.90 1.78 1cb5A1 ARG 296 HB3 -0.03 0.11 0.05 -0.04 1.80 1.88 1cb5A1 ARG 296 HG2 -0.03 0.05 0.04 -0.04 1.67 1.69 1cb5A1 ARG 296 HG3 -0.04 -0.04 0.06 -0.04 1.67 1.61 1cb5A1 ARG 296 HD2 -0.02 0.03 -0.01 -0.04 3.22 3.18 1cb5A1 ARG 296 HD3 -0.05 -0.06 -0.04 -0.04 3.22 3.03 1cb5A1 LYS 297 H -0.05 0.10 0.14 -0.55 8.42 8.06 1cb5A1 LYS 297 HA -0.10 0.08 0.48 -0.75 4.32 4.03 1cb5A1 LYS 297 HB2 -0.07 -0.00 -0.03 -0.04 1.87 1.73 1cb5A1 LYS 297 HB3 -0.10 0.04 -0.06 -0.04 1.79 1.63 1cb5A1 LYS 297 HG2 -0.08 -0.01 -0.01 -0.04 1.46 1.32 1cb5A1 LYS 297 HG3 -0.06 0.00 0.03 -0.04 1.46 1.39 1cb5A1 LYS 297 HD2 -0.06 0.04 -0.04 -0.04 1.69 1.58 1cb5A1 LYS 297 HD3 -0.08 -0.00 -0.06 -0.04 1.68 1.49 1cb5A1 LYS 297 HE2 -0.06 -0.03 -0.03 -0.04 2.99 2.82 1cb5A1 LYS 297 HE3 -0.05 0.00 -0.02 -0.04 2.99 2.88 1cb5A1 THR 298 H -0.15 0.21 0.14 -0.55 8.28 7.93 1cb5A1 THR 298 HA -0.10 -0.05 0.59 -0.75 4.39 4.07 1cb5A1 THR 298 HB -0.23 -0.03 0.24 -0.04 4.32 4.26 1cb5A1 THR 298 HG23 -0.20 -0.05 -0.06 -0.04 1.22 0.87 1cb5A1 LEU 299 H -0.07 0.13 0.21 -0.55 8.37 8.10 1cb5A1 LEU 299 HA -0.17 0.37 1.11 -0.75 4.35 4.90 1cb5A1 LEU 299 HB2 0.01 -0.06 0.10 -0.04 1.64 1.64 1cb5A1 LEU 299 HB3 -0.00 0.05 -0.02 -0.04 1.64 1.63 1cb5A1 LEU 299 HG -0.05 0.10 -0.24 -0.04 1.64 1.41 1cb5A1 LEU 299 HD13 -0.01 0.01 -0.02 -0.04 0.93 0.87 1cb5A1 LEU 299 HD23 -0.07 0.03 -0.22 -0.04 0.89 0.58 1cb5A1 TYR 300 H 0.05 0.77 0.34 -0.55 8.29 8.90 1cb5A1 TYR 300 HA 0.10 0.18 0.92 -0.75 4.56 5.00 1cb5A1 TYR 300 HB2 0.13 -0.03 0.04 -0.04 3.06 3.16 1cb5A1 TYR 300 HB3 0.10 -0.03 -0.10 -0.04 2.98 2.91 1cb5A1 TYR 300 HD2 0.07 0.04 -0.20 -0.04 7.15 7.01 1cb5A1 TYR 300 HE2 0.07 -0.09 -0.24 -0.04 6.85 6.54 1cb5A1 ASN 301 H 0.22 0.36 0.21 -0.55 8.53 8.77 1cb5A1 ASN 301 HA 0.16 0.22 0.81 -0.75 4.76 5.20 1cb5A1 ASN 301 HB2 0.11 0.04 0.01 -0.04 2.88 3.01 1cb5A1 ASN 301 HB3 0.14 -0.06 0.25 -0.04 2.79 3.08 1cb5A1 ASN 301 HD21 0.05 0.21 -0.06 -0.04 7.03 7.18 1cb5A1 ASN 301 HD22 0.07 -0.02 -0.13 -0.04 7.74 7.63 1cb5A1 ASN 302 H 0.29 0.55 0.18 -0.55 8.53 9.00 1cb5A1 ASN 302 HA 0.14 0.27 0.55 -0.75 4.76 4.97 1cb5A1 ASN 302 HB2 0.21 -0.00 0.04 -0.04 2.88 3.08 1cb5A1 ASN 302 HB3 0.36 0.05 0.14 -0.04 2.79 3.30 1cb5A1 ASN 302 HD21 0.17 0.25 -0.21 -0.04 7.03 7.20 1cb5A1 ASN 302 HD22 0.23 0.22 -0.53 -0.04 7.74 7.62 1cb5A1 GLN 303 H 0.08 0.63 0.47 -0.55 8.47 9.10 1cb5A1 GLN 303 HA -0.16 0.03 0.83 -0.75 4.36 4.30 1cb5A1 GLN 303 HB2 0.20 0.01 -0.05 -0.04 2.15 2.26 1cb5A1 GLN 303 HB3 0.04 -0.04 0.08 -0.04 2.02 2.06 1cb5A1 GLN 303 HG2 0.11 0.14 -0.53 -0.04 2.40 2.08 1cb5A1 GLN 303 HG3 0.23 -0.04 -0.11 -0.04 2.39 2.43 1cb5A1 GLN 303 HE21 -0.07 -0.04 0.06 -0.04 6.97 6.88 1cb5A1 GLN 303 HE22 0.02 0.04 -0.16 -0.04 7.69 7.55 1cb5A1 PRO 304 HA -0.26 0.13 0.49 -0.51 4.44 4.29 1cb5A1 PRO 304 HB2 -0.04 -0.08 0.06 -0.04 2.28 2.18 1cb5A1 PRO 304 HB3 -0.18 0.11 0.12 -0.04 2.02 2.03 1cb5A1 PRO 304 HG2 0.00 -0.14 0.08 -0.04 2.03 1.93 1cb5A1 PRO 304 HG3 -0.09 0.11 0.08 -0.04 2.03 2.09 1cb5A1 PRO 304 HD2 -0.23 0.12 0.24 -0.04 3.68 3.77 1cb5A1 PRO 304 HD3 -0.55 0.16 0.19 -0.04 3.65 3.41 1cb5A1 ILE 305 H -0.01 0.19 0.17 -0.55 8.25 8.05 1cb5A1 ILE 305 HA 0.01 0.15 0.29 -0.75 4.18 3.88 1cb5A1 ILE 305 HB -0.01 0.10 0.18 -0.04 1.89 2.12 1cb5A1 ILE 305 HG12 0.02 0.15 0.05 -0.04 1.49 1.67 1cb5A1 ILE 305 HG13 -0.09 -0.13 -0.15 -0.04 1.21 0.79 1cb5A1 ILE 305 HG23 -0.04 -0.02 -0.00 -0.04 0.93 0.84 1cb5A1 ILE 305 HD13 0.14 0.02 -0.02 -0.04 0.88 0.97 1cb5A1 ASP 306 H -0.01 0.10 -0.16 -0.55 8.40 7.79 1cb5A1 ASP 306 HA -0.06 0.06 0.35 -0.75 4.63 4.23 1cb5A1 ASP 306 HB2 0.03 0.01 0.02 -0.04 2.71 2.73 1cb5A1 ASP 306 HB3 0.04 0.07 0.06 -0.04 2.70 2.83 1cb5A1 PHE 307 H 0.12 0.29 -0.46 -0.55 8.34 7.74 1cb5A1 PHE 307 HA -0.01 0.07 0.45 -0.75 4.62 4.38 1cb5A1 PHE 307 HB2 -0.04 -0.05 0.06 -0.04 3.15 3.08 1cb5A1 PHE 307 HB3 -0.06 0.20 0.04 -0.04 3.06 3.20 1cb5A1 PHE 307 HD2 -0.01 0.01 -0.07 -0.04 7.28 7.17 1cb5A1 PHE 307 HE2 0.02 0.03 -0.05 -0.04 7.38 7.34 1cb5A1 PHE 307 HZ 0.02 0.01 -0.02 -0.04 7.32 7.30 1cb5A1 LEU 308 H 0.01 0.33 -0.21 -0.55 8.37 7.95 1cb5A1 LEU 308 HA -0.24 0.04 0.26 -0.75 4.35 3.65 1cb5A1 LEU 308 HB2 0.01 0.17 0.02 -0.04 1.64 1.80 1cb5A1 LEU 308 HB3 0.05 -0.05 -0.14 -0.04 1.64 1.46 1cb5A1 LEU 308 HG 0.07 0.08 -0.22 -0.04 1.64 1.53 1cb5A1 LEU 308 HD13 0.10 -0.01 -0.35 -0.04 0.93 0.63 1cb5A1 LEU 308 HD23 0.09 -0.01 -0.23 -0.04 0.89 0.70 1cb5A1 LYS 309 H -0.27 0.38 -0.28 -0.55 8.42 7.70 1cb5A1 LYS 309 HA -0.72 0.03 0.34 -0.75 4.32 3.21 1cb5A1 LYS 309 HB2 -0.06 0.12 0.11 -0.04 1.87 2.00 1cb5A1 LYS 309 HB3 -0.09 -0.04 -0.05 -0.04 1.79 1.57 1cb5A1 LYS 309 HG2 -2.45 -0.02 -0.08 -0.04 1.46 -1.13 1cb5A1 LYS 309 HG3 -0.73 0.18 -0.07 -0.04 1.46 0.80 1cb5A1 LYS 309 HD2 -0.06 -0.01 -0.03 -0.04 1.69 1.55 1cb5A1 LYS 309 HD3 0.01 -0.05 -0.05 -0.04 1.68 1.56 1cb5A1 LYS 309 HE2 -0.61 -0.01 -0.11 -0.04 2.99 2.22 1cb5A1 LYS 309 HE3 -0.35 0.00 -0.20 -0.04 2.99 2.40 1cb5A1 LYS 310 H -0.04 0.49 -0.10 -0.55 8.42 8.22 1cb5A1 LYS 310 HA 0.15 -0.02 0.31 -0.75 4.32 4.00 1cb5A1 LYS 310 HB2 -0.06 0.13 0.15 -0.04 1.87 2.05 1cb5A1 LYS 310 HB3 0.05 -0.02 0.04 -0.04 1.79 1.82 1cb5A1 LYS 310 HG2 0.23 -0.04 0.08 -0.04 1.46 1.69 1cb5A1 LYS 310 HG3 0.18 0.13 0.16 -0.04 1.46 1.89 1cb5A1 LYS 310 HD2 0.13 -0.02 0.01 -0.04 1.69 1.77 1cb5A1 LYS 310 HD3 0.09 -0.03 0.03 -0.04 1.68 1.73 1cb5A1 LYS 310 HE2 0.03 0.03 0.08 -0.04 2.99 3.10 1cb5A1 LYS 310 HE3 0.08 0.00 0.02 -0.04 2.99 3.04 1cb5A1 MET 311 H -0.33 0.42 -0.50 -0.55 8.47 7.51 1cb5A1 MET 311 HA -0.20 0.07 0.43 -0.75 4.52 4.07 1cb5A1 MET 311 HB2 -0.33 0.12 0.05 -0.04 2.15 1.95 1cb5A1 MET 311 HB3 -0.22 -0.06 -0.06 -0.04 2.03 1.65 1cb5A1 MET 311 HG2 -1.26 0.33 -0.02 -0.04 2.63 1.64 1cb5A1 MET 311 HG3 -0.87 -0.07 -0.12 -0.04 2.56 1.46 1cb5A1 MET 311 HE3 0.03 -0.02 -0.44 -0.04 2.10 1.63 1cb5A1 VAL 312 H -0.20 0.50 -0.14 -0.55 8.24 7.85 1cb5A1 VAL 312 HA -0.08 0.06 0.45 -0.75 4.13 3.81 1cb5A1 VAL 312 HB -0.33 0.08 0.14 -0.04 2.12 1.97 1cb5A1 VAL 312 HG13 -0.29 -0.02 -0.11 -0.04 0.97 0.50 1cb5A1 VAL 312 HG23 -0.21 0.08 -0.02 -0.04 0.95 0.76 1cb5A1 ALA 313 H -0.09 0.59 -0.07 -0.55 8.40 8.28 1cb5A1 ALA 313 HA -0.08 -0.00 0.31 -0.75 4.34 3.81 1cb5A1 ALA 313 HB3 -0.28 0.01 -0.02 -0.04 1.41 1.08 1cb5A1 ALA 314 H -0.11 0.52 -0.27 -0.55 8.40 7.98 1cb5A1 ALA 314 HA -0.06 0.02 0.39 -0.75 4.34 3.93 1cb5A1 ALA 314 HB3 -0.09 0.03 0.08 -0.04 1.41 1.39 1cb5A1 SER 315 H -0.27 0.35 -0.37 -0.55 8.46 7.62 1cb5A1 SER 315 HA -0.46 0.01 0.43 -0.75 4.49 3.72 1cb5A1 SER 315 HB2 -0.23 0.08 0.19 -0.04 3.95 3.95 1cb5A1 SER 315 HB3 -0.05 0.10 0.11 -0.04 3.93 4.05 1cb5A1 ILE 316 H -0.04 0.58 -0.09 -0.55 8.25 8.15 1cb5A1 ILE 316 HA 0.06 0.10 0.23 -0.75 4.18 3.81 1cb5A1 ILE 316 HB 0.00 0.01 -0.00 -0.04 1.89 1.87 1cb5A1 ILE 316 HG12 0.11 -0.00 -0.26 -0.04 1.49 1.30 1cb5A1 ILE 316 HG13 0.07 0.21 -0.08 -0.04 1.21 1.38 1cb5A1 ILE 316 HG23 0.07 -0.01 -0.46 -0.04 0.93 0.48 1cb5A1 ILE 316 HD13 0.13 -0.09 -0.30 -0.04 0.88 0.57 1cb5A1 LYS 317 H -0.03 0.59 -0.26 -0.55 8.42 8.17 1cb5A1 LYS 317 HA 0.04 0.04 0.39 -0.75 4.32 4.04 1cb5A1 LYS 317 HB2 -0.03 0.11 0.10 -0.04 1.87 2.01 1cb5A1 LYS 317 HB3 -0.01 -0.06 0.03 -0.04 1.79 1.72 1cb5A1 LYS 317 HG2 -0.18 -0.06 0.00 -0.04 1.46 1.19 1cb5A1 LYS 317 HG3 -0.12 0.04 0.01 -0.04 1.46 1.35 1cb5A1 LYS 317 HD2 -0.10 0.01 -0.12 -0.04 1.69 1.45 1cb5A1 LYS 317 HD3 -0.15 -0.03 -0.03 -0.04 1.68 1.43 1cb5A1 LYS 317 HE2 -1.02 -0.03 -0.04 -0.04 2.99 1.86 1cb5A1 LYS 317 HE3 -0.32 -0.05 -0.07 -0.04 2.99 2.51 1cb5A1 ASP 318 H 0.03 0.31 -0.54 -0.55 8.40 7.66 1cb5A1 ASP 318 HA 0.09 0.07 0.63 -0.75 4.63 4.67 1cb5A1 ASP 318 HB2 0.24 0.05 0.09 -0.04 2.71 3.05 1cb5A1 ASP 318 HB3 0.21 0.04 0.10 -0.04 2.70 3.00 1cb5A1 GLY 319 H 0.07 0.37 -0.60 -0.55 8.43 7.73 1cb5A1 GLY 319 HA2 0.08 0.02 0.35 -0.51 4.01 3.96 1cb5A1 GLY 319 HA3 0.09 0.03 0.47 -0.51 4.01 4.09 1cb5A1 GLU 320 H 0.10 0.59 -0.01 -0.55 8.60 8.74 1cb5A1 GLU 320 HA 0.15 0.14 1.03 -0.75 4.29 4.85 1cb5A1 GLU 320 HB2 0.19 0.06 -0.07 -0.04 2.09 2.22 1cb5A1 GLU 320 HB3 0.17 -0.03 0.05 -0.04 1.99 2.14 1cb5A1 GLU 320 HG2 0.21 -0.04 -0.11 -0.04 2.34 2.36 1cb5A1 GLU 320 HG3 0.25 0.03 0.01 -0.04 2.34 2.60 1cb5A1 ALA 321 H 0.14 0.13 0.16 -0.55 8.40 8.29 1cb5A1 ALA 321 HA 0.16 0.13 0.52 -0.75 4.34 4.39 1cb5A1 ALA 321 HB3 0.14 -0.02 0.11 -0.04 1.41 1.61 1cb5A1 VAL 322 H 0.24 0.43 0.33 -0.55 8.24 8.69 1cb5A1 VAL 322 HA 0.23 0.25 1.18 -0.75 4.13 5.03 1cb5A1 VAL 322 HB 0.36 -0.15 0.17 -0.04 2.12 2.46 1cb5A1 VAL 322 HG13 0.21 0.12 -0.08 -0.04 0.97 1.18 1cb5A1 VAL 322 HG23 0.10 0.03 -0.09 -0.04 0.95 0.96 1cb5A1 TRP 323 H 0.36 0.25 0.23 -0.55 7.97 8.26 1cb5A1 TRP 323 HA 0.05 0.18 0.60 -0.75 4.62 4.70 1cb5A1 TRP 323 HB2 0.20 0.05 0.03 -0.04 3.23 3.46 1cb5A1 TRP 323 HB3 0.02 -0.02 0.14 -0.04 3.23 3.33 1cb5A1 TRP 323 HD1 0.22 -0.03 -0.42 -0.04 7.22 6.95 1cb5A1 TRP 323 HE1 0.28 0.42 0.08 -0.04 10.20 10.94 1cb5A1 TRP 323 HE3 0.09 0.01 -0.58 -0.04 7.59 7.06 1cb5A1 TRP 323 HZ2 0.42 -0.00 -0.19 -0.04 7.44 7.62 1cb5A1 TRP 323 HZ3 0.16 -0.00 -0.22 -0.04 7.13 7.03 1cb5A1 TRP 323 HH2 0.22 -0.03 -0.08 -0.04 7.19 7.26 1cb5A1 PHE 324 H -0.62 0.56 0.44 -0.55 8.34 8.17 1cb5A1 PHE 324 HA 0.08 0.11 0.75 -0.75 4.62 4.81 1cb5A1 PHE 324 HB2 -0.10 0.18 0.24 -0.04 3.15 3.44 1cb5A1 PHE 324 HB3 -0.03 0.01 -0.23 -0.04 3.06 2.77 1cb5A1 PHE 324 HD2 -0.51 0.15 -0.21 -0.04 7.28 6.66 1cb5A1 PHE 324 HE2 -0.70 -0.02 -0.40 -0.04 7.38 6.23 1cb5A1 PHE 324 HZ -0.63 -0.02 -0.26 -0.04 7.32 6.37 1cb5A1 GLY 325 H 0.09 0.62 0.35 -0.55 8.43 8.94 1cb5A1 GLY 325 HA2 -0.43 0.31 1.19 -0.51 4.01 4.57 1cb5A1 GLY 325 HA3 -0.09 -0.04 0.36 -0.51 4.01 3.73 1cb5A1 CYS 326 H -0.05 0.58 0.45 -0.55 8.50 8.94 1cb5A1 CYS 326 HA 0.25 0.19 0.73 -0.75 4.58 4.99 1cb5A1 CYS 326 HB2 0.41 0.13 -0.02 -0.04 2.97 3.45 1cb5A1 CYS 326 HB3 0.34 0.03 -0.22 -0.04 2.97 3.08 1cb5A1 ASP 327 H 0.25 0.54 0.12 -0.55 8.40 8.75 1cb5A1 ASP 327 HA 0.17 0.08 0.89 -0.75 4.63 5.01 1cb5A1 ASP 327 HB2 0.40 0.15 0.11 -0.04 2.71 3.34 1cb5A1 ASP 327 HB3 0.10 -0.00 0.25 -0.04 2.70 3.01 1cb5A1 VAL 328 H 0.13 0.18 -0.21 -0.55 8.24 7.79 1cb5A1 VAL 328 HA 0.06 0.09 0.17 -0.75 4.13 3.69 1cb5A1 VAL 328 HB -0.09 -0.02 -0.07 -0.04 2.12 1.90 1cb5A1 VAL 328 HG13 -0.08 0.01 -0.12 -0.04 0.97 0.74 1cb5A1 VAL 328 HG23 -0.91 0.01 -0.16 -0.04 0.95 -0.15 1cb5A1 GLY 329 H 0.07 0.03 -0.37 -0.55 8.43 7.62 1cb5A1 GLY 329 HA2 0.21 0.01 0.26 -0.51 4.01 3.98 1cb5A1 GLY 329 HA3 0.11 0.02 0.21 -0.51 4.01 3.84 1cb5A1 LYS 330 H 0.07 0.33 -0.26 -0.55 8.42 8.01 1cb5A1 LYS 330 HA 0.03 0.00 0.46 -0.75 4.32 4.05 1cb5A1 LYS 330 HB2 -0.97 0.08 0.03 -0.04 1.87 0.97 1cb5A1 LYS 330 HB3 -0.63 -0.04 -0.03 -0.04 1.79 1.05 1cb5A1 LYS 330 HG2 -0.18 -0.06 0.04 -0.04 1.46 1.22 1cb5A1 LYS 330 HG3 -0.65 0.02 0.01 -0.04 1.46 0.80 1cb5A1 LYS 330 HD2 -0.05 -0.03 0.01 -0.04 1.69 1.58 1cb5A1 LYS 330 HD3 -0.04 -0.05 -0.09 -0.04 1.68 1.45 1cb5A1 LYS 330 HE2 0.09 -0.00 0.01 -0.04 2.99 3.04 1cb5A1 LYS 330 HE3 0.03 -0.00 0.04 -0.04 2.99 3.02 1cb5A1 HIS 331 H -0.03 0.10 0.16 -0.55 8.41 8.10 1cb5A1 HIS 331 HA 0.59 -0.02 0.35 -0.75 4.63 4.80 1cb5A1 HIS 331 HB2 0.64 0.01 -0.17 -0.04 3.26 3.71 1cb5A1 HIS 331 HB3 0.47 0.12 0.12 -0.04 3.20 3.87 1cb5A1 HIS 331 HD2 0.38 -0.03 0.09 -0.04 6.97 7.37 1cb5A1 HIS 331 HE1 0.15 0.09 0.02 -0.04 7.75 7.97 1cb5A1 PHE 332 H 0.51 0.16 -0.10 -0.55 8.34 8.35 1cb5A1 PHE 332 HA 0.08 0.25 0.95 -0.75 4.62 5.15 1cb5A1 PHE 332 HB2 0.16 0.32 -0.26 -0.04 3.15 3.32 1cb5A1 PHE 332 HB3 0.17 0.03 -0.14 -0.04 3.06 3.08 1cb5A1 PHE 332 HD2 0.03 0.06 -0.13 -0.04 7.28 7.20 1cb5A1 PHE 332 HE2 0.24 -0.02 -0.20 -0.04 7.38 7.36 1cb5A1 PHE 332 HZ 0.43 -0.00 -0.14 -0.04 7.32 7.57 1cb5A1 ASN 333 H -0.54 0.48 0.11 -0.55 8.53 8.04 1cb5A1 ASN 333 HA -0.20 0.11 0.66 -0.75 4.76 4.57 1cb5A1 ASN 333 HB2 -0.05 0.12 -0.13 -0.04 2.88 2.78 1cb5A1 ASN 333 HB3 -0.14 -0.08 0.16 -0.04 2.79 2.68 1cb5A1 ASN 333 HD21 0.06 0.01 -0.02 -0.04 7.03 7.04 1cb5A1 ASN 333 HD22 0.17 0.09 -0.01 -0.04 7.74 7.95 1cb5A1 SER 334 H -0.50 0.22 0.05 -0.55 8.46 7.68 1cb5A1 SER 334 HA -0.38 0.10 0.40 -0.75 4.49 3.87 1cb5A1 SER 334 HB2 0.09 0.05 0.09 -0.04 3.95 4.13 1cb5A1 SER 334 HB3 0.00 -0.01 0.11 -0.04 3.93 3.99 1cb5A1 LYS 335 H -0.10 0.07 -0.04 -0.55 8.42 7.79 1cb5A1 LYS 335 HA -0.06 0.13 0.47 -0.75 4.32 4.10 1cb5A1 LYS 335 HB2 -0.04 -0.08 0.08 -0.04 1.87 1.79 1cb5A1 LYS 335 HB3 -0.03 0.12 -0.00 -0.04 1.79 1.83 1cb5A1 LYS 335 HG2 -0.01 0.09 0.06 -0.04 1.46 1.55 1cb5A1 LYS 335 HG3 -0.02 -0.12 0.08 -0.04 1.46 1.36 1cb5A1 LYS 335 HD2 -0.01 -0.03 0.02 -0.04 1.69 1.63 1cb5A1 LYS 335 HD3 -0.01 0.07 0.02 -0.04 1.68 1.71 1cb5A1 LYS 335 HE2 -0.01 0.04 0.02 -0.04 2.99 3.00 1cb5A1 LYS 335 HE3 -0.01 -0.05 0.03 -0.04 2.99 2.92 1cb5A1 LEU 336 H -0.10 -0.02 -0.18 -0.55 8.37 7.52 1cb5A1 LEU 336 HA -0.02 0.19 0.45 -0.75 4.35 4.21 1cb5A1 LEU 336 HB2 -0.05 -0.07 0.02 -0.04 1.64 1.49 1cb5A1 LEU 336 HB3 0.01 0.07 -0.01 -0.04 1.64 1.67 1cb5A1 LEU 336 HG -0.03 -0.10 -0.02 -0.04 1.64 1.44 1cb5A1 LEU 336 HD13 -0.03 0.00 -0.03 -0.04 0.93 0.83 1cb5A1 LEU 336 HD23 0.00 0.04 -0.05 -0.04 0.89 0.84 1cb5A1 GLY 337 H -0.16 0.23 -0.32 -0.55 8.43 7.64 1cb5A1 GLY 337 HA2 -0.05 0.00 0.33 -0.51 4.01 3.78 1cb5A1 GLY 337 HA3 0.04 0.10 0.63 -0.51 4.01 4.27 1cb5A1 LEU 338 H -0.07 0.27 0.07 -0.55 8.37 8.10 1cb5A1 LEU 338 HA 0.06 0.30 1.11 -0.75 4.35 5.07 1cb5A1 LEU 338 HB2 -0.03 -0.09 -0.02 -0.04 1.64 1.45 1cb5A1 LEU 338 HB3 -0.00 -0.02 -0.09 -0.04 1.64 1.49 1cb5A1 LEU 338 HG 0.06 0.01 -0.53 -0.04 1.64 1.14 1cb5A1 LEU 338 HD13 -0.00 0.00 -0.10 -0.04 0.93 0.79 1cb5A1 LEU 338 HD23 0.04 0.07 -0.12 -0.04 0.89 0.84 1cb5A1 SER 339 H -0.04 0.67 0.25 -0.55 8.46 8.79 1cb5A1 SER 339 HA -0.22 0.36 0.92 -0.75 4.49 4.80 1cb5A1 SER 339 HB2 -0.55 -0.12 0.21 -0.04 3.95 3.45 1cb5A1 SER 339 HB3 -2.36 0.05 0.03 -0.04 3.93 1.60 1cb5A1 ASP 340 H 0.17 0.54 0.12 -0.55 8.40 8.68 1cb5A1 ASP 340 HA 0.29 -0.03 0.87 -0.75 4.63 5.01 1cb5A1 ASP 340 HB2 0.07 0.13 -0.24 -0.04 2.71 2.64 1cb5A1 ASP 340 HB3 0.07 0.03 -0.05 -0.04 2.70 2.71 1cb5A1 MET 341 H 0.29 0.10 0.15 -0.55 8.47 8.46 1cb5A1 MET 341 HA 0.19 0.16 0.48 -0.75 4.52 4.60 1cb5A1 MET 341 HB2 0.12 -0.04 0.06 -0.04 2.15 2.25 1cb5A1 MET 341 HB3 0.03 0.08 0.07 -0.04 2.03 2.17 1cb5A1 MET 341 HG2 0.21 -0.15 -0.14 -0.04 2.63 2.51 1cb5A1 MET 341 HG3 0.02 0.07 -0.13 -0.04 2.56 2.48 1cb5A1 MET 341 HE3 -0.37 0.01 0.04 -0.04 2.10 1.74 1cb5A1 ASN 342 H 0.14 0.03 -0.32 -0.55 8.53 7.83 1cb5A1 ASN 342 HA 0.12 0.24 0.79 -0.75 4.76 5.16 1cb5A1 ASN 342 HB2 0.06 0.01 -0.00 -0.04 2.88 2.91 1cb5A1 ASN 342 HB3 0.06 0.03 0.12 -0.04 2.79 2.96 1cb5A1 ASN 342 HD21 0.06 0.03 -0.02 -0.04 7.03 7.05 1cb5A1 ASN 342 HD22 0.07 0.02 -0.01 -0.04 7.74 7.77 1cb5A1 LEU 343 H 0.14 0.38 -0.39 -0.55 8.37 7.95 1cb5A1 LEU 343 HA -0.12 0.06 0.43 -0.75 4.35 3.97 1cb5A1 LEU 343 HB2 -0.02 -0.05 0.05 -0.04 1.64 1.58 1cb5A1 LEU 343 HB3 -0.17 0.05 -0.00 -0.04 1.64 1.47 1cb5A1 LEU 343 HG -1.13 -0.00 -0.19 -0.04 1.64 0.27 1cb5A1 LEU 343 HD13 -0.19 -0.01 -0.04 -0.04 0.93 0.66 1cb5A1 LEU 343 HD23 -0.07 -0.03 -0.34 -0.04 0.89 0.41 1cb5A1 TYR 344 H 0.23 0.15 -0.16 -0.55 8.29 7.95 1cb5A1 TYR 344 HA 0.01 0.41 1.09 -0.75 4.56 5.31 1cb5A1 TYR 344 HB2 0.19 -0.06 0.05 -0.04 3.06 3.20 1cb5A1 TYR 344 HB3 -0.33 0.00 -0.09 -0.04 2.98 2.52 1cb5A1 TYR 344 HD2 0.05 -0.02 -0.24 -0.04 7.15 6.90 1cb5A1 TYR 344 HE2 0.06 0.04 -0.06 -0.04 6.85 6.85 1cb5A1 ASP 345 H 0.08 1.05 0.24 -0.55 8.40 9.22 1cb5A1 ASP 345 HA 0.12 0.08 0.73 -0.75 4.63 4.81 1cb5A1 ASP 345 HB2 0.02 0.24 0.13 -0.04 2.71 3.06 1cb5A1 ASP 345 HB3 0.02 -0.12 0.25 -0.04 2.70 2.81 1cb5A1 HIS 346 H 0.29 0.36 -0.14 -0.55 8.41 8.38 1cb5A1 HIS 346 HA 0.27 0.11 0.43 -0.75 4.63 4.69 1cb5A1 HIS 346 HB2 0.18 -0.07 0.13 -0.04 3.26 3.46 1cb5A1 HIS 346 HB3 0.23 0.10 -0.01 -0.04 3.20 3.48 1cb5A1 HIS 346 HD2 0.25 0.09 0.01 -0.04 6.97 7.27 1cb5A1 HIS 346 HE1 -0.13 0.02 -0.03 -0.04 7.75 7.56 1cb5A1 GLU 347 H 0.21 0.06 -0.06 -0.55 8.60 8.27 1cb5A1 GLU 347 HA 0.17 0.12 0.42 -0.75 4.29 4.24 1cb5A1 GLU 347 HB2 0.11 -0.03 0.03 -0.04 2.09 2.15 1cb5A1 GLU 347 HB3 0.09 0.07 -0.12 -0.04 1.99 1.99 1cb5A1 GLU 347 HG2 0.12 0.03 -0.46 -0.04 2.34 1.98 1cb5A1 GLU 347 HG3 0.15 -0.10 0.06 -0.04 2.34 2.41 1cb5A1 LEU 348 H 0.08 0.00 -0.25 -0.55 8.37 7.65 1cb5A1 LEU 348 HA 0.03 0.07 0.35 -0.75 4.35 4.05 1cb5A1 LEU 348 HB2 0.04 -0.09 0.09 -0.04 1.64 1.63 1cb5A1 LEU 348 HB3 0.01 0.12 0.11 -0.04 1.64 1.83 1cb5A1 LEU 348 HG 0.01 -0.01 0.04 -0.04 1.64 1.63 1cb5A1 LEU 348 HD13 0.01 -0.01 0.01 -0.04 0.93 0.89 1cb5A1 LEU 348 HD23 -0.03 0.03 -0.20 -0.04 0.89 0.65 1cb5A1 VAL 349 H -0.02 0.34 -0.21 -0.55 8.24 7.80 1cb5A1 VAL 349 HA -0.16 0.12 0.56 -0.75 4.13 3.90 1cb5A1 VAL 349 HB -0.35 -0.05 0.15 -0.04 2.12 1.83 1cb5A1 VAL 349 HG13 -0.92 -0.01 -0.20 -0.04 0.97 -0.20 1cb5A1 VAL 349 HG23 -0.17 -0.00 -0.03 -0.04 0.95 0.70 1cb5A1 PHE 350 H 0.09 0.55 0.14 -0.55 8.34 8.57 1cb5A1 PHE 350 HA 0.05 0.18 0.72 -0.75 4.62 4.82 1cb5A1 PHE 350 HB2 0.10 0.06 0.11 -0.04 3.15 3.38 1cb5A1 PHE 350 HB3 0.08 -0.03 0.05 -0.04 3.06 3.11 1cb5A1 PHE 350 HD2 0.09 0.01 0.04 -0.04 7.28 7.38 1cb5A1 PHE 350 HE2 0.02 -0.01 -0.04 -0.04 7.38 7.31 1cb5A1 PHE 350 HZ 0.00 -0.03 -0.01 -0.04 7.32 7.24 1cb5A1 GLY 351 H 0.15 0.34 -0.10 -0.55 8.43 8.26 1cb5A1 GLY 351 HA2 0.10 0.11 0.34 -0.51 4.01 4.05 1cb5A1 GLY 351 HA3 0.13 0.06 0.52 -0.51 4.01 4.21 1cb5A1 VAL 352 H 0.20 0.21 -0.10 -0.55 8.24 8.01 1cb5A1 VAL 352 HA 0.08 0.17 0.74 -0.75 4.13 4.37 1cb5A1 VAL 352 HB 0.05 -0.00 0.02 -0.04 2.12 2.15 1cb5A1 VAL 352 HG13 0.09 0.06 -0.28 -0.04 0.97 0.81 1cb5A1 VAL 352 HG23 0.08 -0.02 -0.27 -0.04 0.95 0.70 1cb5A1 SER 353 H 0.06 0.20 0.11 -0.55 8.46 8.28 1cb5A1 SER 353 HA 0.11 0.11 0.84 -0.75 4.49 4.80 1cb5A1 SER 353 HB2 0.07 0.08 -0.01 -0.04 3.95 4.05 1cb5A1 SER 353 HB3 0.04 0.07 0.06 -0.04 3.93 4.06 1cb5A1 LEU 354 H 0.08 0.16 0.15 -0.55 8.37 8.22 1cb5A1 LEU 354 HA -0.00 0.23 0.82 -0.75 4.35 4.64 1cb5A1 LEU 354 HB2 -0.03 -0.01 0.08 -0.04 1.64 1.64 1cb5A1 LEU 354 HB3 -0.05 0.06 0.19 -0.04 1.64 1.79 1cb5A1 LEU 354 HG -0.21 -0.05 -0.15 -0.04 1.64 1.18 1cb5A1 LEU 354 HD13 -0.73 0.01 -0.00 -0.04 0.93 0.16 1cb5A1 LEU 354 HD23 -0.10 0.07 -0.20 -0.04 0.89 0.62 1cb5A1 LYS 355 H 0.06 0.02 -0.08 -0.55 8.42 7.86 1cb5A1 LYS 355 HA 0.05 0.32 0.89 -0.75 4.32 4.82 1cb5A1 LYS 355 HB2 0.06 -0.05 0.09 -0.04 1.87 1.93 1cb5A1 LYS 355 HB3 0.03 0.07 0.19 -0.04 1.79 2.03 1cb5A1 LYS 355 HG2 0.04 0.10 -0.01 -0.04 1.46 1.55 1cb5A1 LYS 355 HG3 0.14 -0.17 -0.15 -0.04 1.46 1.24 1cb5A1 LYS 355 HD2 0.10 -0.05 0.05 -0.04 1.69 1.74 1cb5A1 LYS 355 HD3 0.05 0.02 0.04 -0.04 1.68 1.74 1cb5A1 LYS 355 HE2 0.03 0.01 0.09 -0.04 2.99 3.08 1cb5A1 LYS 355 HE3 0.22 -0.06 0.09 -0.04 2.99 3.21 1cb5A1 ASN 356 H 0.02 0.06 -0.24 -0.55 8.53 7.82 1cb5A1 ASN 356 HA -0.00 0.19 0.74 -0.75 4.76 4.93 1cb5A1 ASN 356 HB2 -0.01 -0.00 0.03 -0.04 2.88 2.85 1cb5A1 ASN 356 HB3 -0.02 0.03 -0.02 -0.04 2.79 2.74 1cb5A1 ASN 356 HD21 0.01 -0.02 -0.02 -0.04 7.03 6.96 1cb5A1 ASN 356 HD22 -0.00 0.07 -0.02 -0.04 7.74 7.74 1cb5A1 MET 357 H -0.01 0.03 -0.05 -0.55 8.47 7.89 1cb5A1 MET 357 HA -0.04 0.04 0.47 -0.75 4.52 4.23 1cb5A1 MET 357 HB2 0.01 0.04 0.02 -0.04 2.15 2.18 1cb5A1 MET 357 HB3 -0.01 -0.03 -0.05 -0.04 2.03 1.90 1cb5A1 MET 357 HG2 -0.10 0.01 -0.04 -0.04 2.63 2.47 1cb5A1 MET 357 HG3 -0.04 -0.05 0.00 -0.04 2.56 2.44 1cb5A1 MET 357 HE3 0.02 0.02 -0.03 -0.04 2.10 2.06 1cb5A1 ASN 358 H -0.02 0.03 0.18 -0.55 8.53 8.17 1cb5A1 ASN 358 HA -0.05 0.29 0.71 -0.75 4.76 4.96 1cb5A1 ASN 358 HB2 -0.03 -0.06 0.19 -0.04 2.88 2.93 1cb5A1 ASN 358 HB3 -0.03 0.15 0.08 -0.04 2.79 2.96 1cb5A1 ASN 358 HD21 -0.01 0.03 0.05 -0.04 7.03 7.06 1cb5A1 ASN 358 HD22 -0.01 0.10 0.06 -0.04 7.74 7.85 1cb5A1 LYS 359 H -0.08 0.20 0.14 -0.55 8.42 8.13 1cb5A1 LYS 359 HA -0.08 0.14 0.35 -0.75 4.32 3.99 1cb5A1 LYS 359 HB2 -0.16 0.04 0.20 -0.04 1.87 1.91 1cb5A1 LYS 359 HB3 -0.05 -0.08 0.13 -0.04 1.79 1.75 1cb5A1 LYS 359 HG2 0.05 -0.07 -0.05 -0.04 1.46 1.35 1cb5A1 LYS 359 HG3 -0.14 0.11 0.12 -0.04 1.46 1.51 1cb5A1 LYS 359 HD2 -0.27 0.08 0.21 -0.04 1.69 1.67 1cb5A1 LYS 359 HD3 -0.10 -0.14 0.08 -0.04 1.68 1.48 1cb5A1 LYS 359 HE2 -0.15 0.00 0.05 -0.04 2.99 2.85 1cb5A1 LYS 359 HE3 -0.72 -0.01 -0.14 -0.04 2.99 2.08 1cb5A1 ALA 360 H 0.00 0.08 -0.21 -0.55 8.40 7.73 1cb5A1 ALA 360 HA 0.04 0.10 0.36 -0.75 4.34 4.07 1cb5A1 ALA 360 HB3 0.01 0.03 -0.13 -0.04 1.41 1.27 1cb5A1 GLU 361 H 0.03 0.04 -0.19 -0.55 8.60 7.93 1cb5A1 GLU 361 HA 0.19 0.08 0.42 -0.75 4.29 4.22 1cb5A1 GLU 361 HB2 -0.01 -0.01 0.13 -0.04 2.09 2.16 1cb5A1 GLU 361 HB3 -0.10 0.07 0.05 -0.04 1.99 1.97 1cb5A1 GLU 361 HG2 0.01 0.07 0.04 -0.04 2.34 2.41 1cb5A1 GLU 361 HG3 0.00 -0.10 0.10 -0.04 2.34 2.30 1cb5A1 ARG 362 H 0.06 0.62 -0.21 -0.55 8.46 8.38 1cb5A1 ARG 362 HA 0.11 0.01 0.25 -0.75 4.34 3.96 1cb5A1 ARG 362 HB2 0.11 0.15 -0.04 -0.04 1.90 2.08 1cb5A1 ARG 362 HB3 0.15 -0.05 -0.16 -0.04 1.80 1.70 1cb5A1 ARG 362 HG2 0.08 -0.08 -0.11 -0.04 1.67 1.52 1cb5A1 ARG 362 HG3 0.04 0.19 -0.30 -0.04 1.67 1.56 1cb5A1 ARG 362 HD2 0.24 -0.00 -0.14 -0.04 3.22 3.27 1cb5A1 ARG 362 HD3 0.12 0.04 -0.13 -0.04 3.22 3.20 1cb5A1 LEU 363 H 0.10 0.34 -0.36 -0.55 8.37 7.89 1cb5A1 LEU 363 HA 0.04 0.30 0.54 -0.75 4.35 4.48 1cb5A1 LEU 363 HB2 0.09 0.15 0.14 -0.04 1.64 1.98 1cb5A1 LEU 363 HB3 0.03 -0.01 0.14 -0.04 1.64 1.76 1cb5A1 LEU 363 HG -0.05 -0.05 -0.05 -0.04 1.64 1.45 1cb5A1 LEU 363 HD13 -0.24 0.05 0.02 -0.04 0.93 0.72 1cb5A1 LEU 363 HD23 0.01 -0.03 -0.02 -0.04 0.89 0.81 1cb5A1 THR 364 H 0.11 0.55 -0.00 -0.55 8.28 8.38 1cb5A1 THR 364 HA -0.03 0.04 0.50 -0.75 4.39 4.14 1cb5A1 THR 364 HB 0.22 0.02 0.17 -0.04 4.32 4.69 1cb5A1 THR 364 HG23 -0.35 -0.01 -0.09 -0.04 1.22 0.72 1cb5A1 PHE 365 H 0.36 0.70 -0.05 -0.55 8.34 8.79 1cb5A1 PHE 365 HA 0.02 0.20 0.81 -0.75 4.62 4.89 1cb5A1 PHE 365 HB2 0.02 0.05 0.09 -0.04 3.15 3.26 1cb5A1 PHE 365 HB3 0.01 -0.02 0.18 -0.04 3.06 3.19 1cb5A1 PHE 365 HD2 0.01 0.08 0.06 -0.04 7.28 7.38 1cb5A1 PHE 365 HE2 0.00 -0.03 -0.01 -0.04 7.38 7.30 1cb5A1 PHE 365 HZ 0.00 -0.02 -0.02 -0.04 7.32 7.25 1cb5A1 GLY 366 H 0.06 0.32 -0.58 -0.55 8.43 7.69 1cb5A1 GLY 366 HA2 0.05 0.07 0.26 -0.51 4.01 3.88 1cb5A1 GLY 366 HA3 0.06 0.00 0.31 -0.51 4.01 3.87 1cb5A1 GLU 367 H 0.11 0.51 -0.09 -0.55 8.60 8.58 1cb5A1 GLU 367 HA 0.07 0.14 0.77 -0.75 4.29 4.51 1cb5A1 GLU 367 HB2 0.08 0.02 -0.01 -0.04 2.09 2.14 1cb5A1 GLU 367 HB3 0.11 -0.03 0.09 -0.04 1.99 2.12 1cb5A1 GLU 367 HG2 0.09 -0.08 -0.04 -0.04 2.34 2.27 1cb5A1 GLU 367 HG3 0.13 -0.01 -0.28 -0.04 2.34 2.14 1cb5A1 SER 368 H 0.10 0.42 0.01 -0.55 8.46 8.43 1cb5A1 SER 368 HA 0.11 0.10 0.55 -0.75 4.49 4.50 1cb5A1 SER 368 HB2 0.26 0.06 -0.26 -0.04 3.95 3.96 1cb5A1 SER 368 HB3 0.25 -0.07 -0.24 -0.04 3.93 3.83 1cb5A1 LEU 369 H 0.11 0.32 0.16 -0.55 8.37 8.42 1cb5A1 LEU 369 HA -0.50 0.05 0.29 -0.75 4.35 3.44 1cb5A1 LEU 369 HB2 -0.14 0.00 0.20 -0.04 1.64 1.66 1cb5A1 LEU 369 HB3 -0.10 0.20 0.20 -0.04 1.64 1.89 1cb5A1 LEU 369 HG 0.02 -0.07 -0.40 -0.04 1.64 1.15 1cb5A1 LEU 369 HD13 0.03 0.03 -0.34 -0.04 0.93 0.61 1cb5A1 LEU 369 HD23 0.03 0.01 -0.02 -0.04 0.89 0.87 1cb5A1 MET 370 H -0.23 0.22 0.06 -0.55 8.47 7.97 1cb5A1 MET 370 HA 0.15 0.02 0.25 -0.75 4.52 4.19 1cb5A1 MET 370 HB2 -0.02 0.02 -0.05 -0.04 2.15 2.06 1cb5A1 MET 370 HB3 -0.01 0.01 -0.06 -0.04 2.03 1.93 1cb5A1 MET 370 HG2 0.03 -0.02 -0.30 -0.04 2.63 2.30 1cb5A1 MET 370 HG3 0.08 -0.08 -0.09 -0.04 2.56 2.43 1cb5A1 MET 370 HE3 0.05 -0.01 -0.12 -0.04 2.10 1.99 1cb5A1 THR 371 H 0.11 0.55 0.46 -0.55 8.28 8.86 1cb5A1 THR 371 HA 0.06 0.39 0.94 -0.75 4.39 5.03 1cb5A1 THR 371 HB 0.08 -0.01 0.11 -0.04 4.32 4.46 1cb5A1 THR 371 HG23 0.07 0.07 -0.22 -0.04 1.22 1.09 1cb5A1 HIS 372 H 0.07 0.37 0.42 -0.55 8.41 8.73 1cb5A1 HIS 372 HA -0.04 0.07 0.89 -0.75 4.63 4.79 1cb5A1 HIS 372 HB2 0.03 0.09 -0.32 -0.04 3.26 3.02 1cb5A1 HIS 372 HB3 -0.12 -0.11 -0.01 -0.04 3.20 2.92 1cb5A1 HIS 372 HD2 -0.50 -0.03 -0.21 -0.04 6.97 6.18 1cb5A1 HIS 372 HE1 0.04 -0.03 0.04 -0.04 7.75 7.76 1cb5A1 ALA 373 H -0.69 0.14 0.17 -0.55 8.40 7.48 1cb5A1 ALA 373 HA -0.91 0.44 1.15 -0.75 4.34 4.27 1cb5A1 ALA 373 HB3 -0.82 -0.02 -0.10 -0.04 1.41 0.43 1cb5A1 MET 374 H -1.42 0.64 0.36 -0.55 8.47 7.50 1cb5A1 MET 374 HA -0.65 0.14 0.72 -0.75 4.52 3.98 1cb5A1 MET 374 HB2 -1.26 -0.02 -0.14 -0.04 2.15 0.69 1cb5A1 MET 374 HB3 -0.56 0.07 0.05 -0.04 2.03 1.55 1cb5A1 MET 374 HG2 -0.64 0.02 0.01 -0.04 2.63 1.98 1cb5A1 MET 374 HG3 -0.91 -0.14 -0.70 -0.04 2.56 0.77 1cb5A1 MET 374 HE3 -0.33 -0.01 -0.23 -0.04 2.10 1.48 1cb5A1 THR 375 H -0.32 0.48 0.24 -0.55 8.28 8.14 1cb5A1 THR 375 HA -0.01 0.42 1.24 -0.75 4.39 5.29 1cb5A1 THR 375 HB -0.04 -0.03 0.14 -0.04 4.32 4.36 1cb5A1 THR 375 HG23 0.12 0.04 -0.23 -0.04 1.22 1.11 1cb5A1 PHE 376 H 0.26 0.69 0.40 -0.55 8.34 9.14 1cb5A1 PHE 376 HA 0.11 0.25 0.84 -0.75 4.62 5.06 1cb5A1 PHE 376 HB2 0.05 -0.00 0.25 -0.04 3.15 3.40 1cb5A1 PHE 376 HB3 0.10 0.01 0.05 -0.04 3.06 3.18 1cb5A1 PHE 376 HD2 -0.14 0.10 -0.04 -0.04 7.28 7.16 1cb5A1 PHE 376 HE2 -0.87 -0.02 -0.14 -0.04 7.38 6.30 1cb5A1 PHE 376 HZ -1.82 -0.03 -0.14 -0.04 7.32 5.29 1cb5A1 THR 377 H 0.22 0.46 0.40 -0.55 8.28 8.81 1cb5A1 THR 377 HA 0.16 0.21 0.98 -0.75 4.39 4.98 1cb5A1 THR 377 HB 0.14 0.01 0.11 -0.04 4.32 4.54 1cb5A1 THR 377 HG23 0.19 0.02 -0.27 -0.04 1.22 1.12 1cb5A1 ALA 378 H 0.08 0.15 0.35 -0.55 8.40 8.45 1cb5A1 ALA 378 HA 0.02 0.31 0.68 -0.75 4.34 4.60 1cb5A1 ALA 378 HB3 -0.20 0.01 -0.07 -0.04 1.41 1.11 1cb5A1 VAL 379 H 0.04 0.85 0.38 -0.55 8.24 8.96 1cb5A1 VAL 379 HA -0.17 0.17 0.90 -0.75 4.13 4.27 1cb5A1 VAL 379 HB -0.47 0.02 -0.16 -0.04 2.12 1.47 1cb5A1 VAL 379 HG13 -0.16 0.00 -0.10 -0.04 0.97 0.66 1cb5A1 VAL 379 HG23 -1.54 0.02 -0.01 -0.04 0.95 -0.62 1cb5A1 SER 380 H -0.24 0.52 0.43 -0.55 8.46 8.62 1cb5A1 SER 380 HA 0.04 0.10 1.06 -0.75 4.49 4.94 1cb5A1 SER 380 HB2 -0.07 -0.04 0.21 -0.04 3.95 4.00 1cb5A1 SER 380 HB3 -0.07 0.13 0.13 -0.04 3.93 4.08 1cb5A1 GLU 381 H 0.05 0.17 0.22 -0.55 8.60 8.49 1cb5A1 GLU 381 HA -0.05 0.12 1.07 -0.75 4.29 4.68 1cb5A1 GLU 381 HB2 0.03 -0.06 0.07 -0.04 2.09 2.08 1cb5A1 GLU 381 HB3 -0.14 0.26 0.12 -0.04 1.99 2.20 1cb5A1 GLU 381 HG2 0.05 0.02 -0.08 -0.04 2.34 2.29 1cb5A1 GLU 381 HG3 0.15 -0.15 -0.14 -0.04 2.34 2.16 1cb5A1 LYS 382 H -0.18 0.52 0.11 -0.55 8.42 8.32 1cb5A1 LYS 382 HA -0.06 0.03 0.60 -0.75 4.32 4.13 1cb5A1 LYS 382 HB2 -0.08 -0.04 -0.16 -0.04 1.87 1.55 1cb5A1 LYS 382 HB3 -0.12 -0.02 -0.00 -0.04 1.79 1.61 1cb5A1 LYS 382 HG2 -0.06 0.15 -0.13 -0.04 1.46 1.38 1cb5A1 LYS 382 HG3 -0.04 -0.03 0.03 -0.04 1.46 1.37 1cb5A1 LYS 382 HD2 -0.04 -0.02 -0.05 -0.04 1.69 1.55 1cb5A1 LYS 382 HD3 -0.06 -0.03 -0.05 -0.04 1.68 1.50 1cb5A1 LYS 382 HE2 -0.03 0.05 -0.03 -0.04 2.99 2.94 1cb5A1 LYS 382 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.91 1cb5A1 ASP 383 H -0.05 0.09 0.16 -0.55 8.40 8.06 1cb5A1 ASP 383 HA -0.04 0.06 0.32 -0.75 4.63 4.22 1cb5A1 ASP 383 HB2 -0.03 -0.02 0.11 -0.04 2.71 2.72 1cb5A1 ASP 383 HB3 -0.03 0.03 0.04 -0.04 2.70 2.69 1cb5A1 ASP 384 H -0.03 0.14 0.11 -0.55 8.40 8.07 1cb5A1 ASP 384 HA -0.03 0.01 0.35 -0.75 4.63 4.21 1cb5A1 ASP 384 HB2 -0.03 -0.05 -0.11 -0.04 2.71 2.48 1cb5A1 ASP 384 HB3 -0.03 0.24 0.05 -0.04 2.70 2.91 1cb5A1 GLN 385 H -0.07 0.48 -0.88 -0.55 8.47 7.46 1cb5A1 GLN 385 HA -0.07 0.02 0.66 -0.75 4.36 4.21 1cb5A1 GLN 385 HB2 -0.14 0.12 0.07 -0.04 2.15 2.15 1cb5A1 GLN 385 HB3 -0.14 -0.14 -0.03 -0.04 2.02 1.68 1cb5A1 GLN 385 HG2 -0.06 -0.02 -0.06 -0.04 2.40 2.22 1cb5A1 GLN 385 HG3 -0.07 0.25 -0.06 -0.04 2.39 2.47 1cb5A1 GLN 385 HE21 -0.05 -0.03 -0.03 -0.04 6.97 6.83 1cb5A1 GLN 385 HE22 -0.05 0.02 -0.03 -0.04 7.69 7.59 1cb5A1 ASP 386 H -0.08 0.11 0.16 -0.55 8.40 8.03 1cb5A1 ASP 386 HA -0.08 0.13 0.41 -0.75 4.63 4.34 1cb5A1 ASP 386 HB2 -0.06 -0.14 0.18 -0.04 2.71 2.66 1cb5A1 ASP 386 HB3 -0.05 0.05 0.04 -0.04 2.70 2.70 1cb5A1 GLY 387 H -0.13 0.06 -0.00 -0.55 8.43 7.80 1cb5A1 GLY 387 HA2 -0.31 0.27 0.76 -0.51 4.01 4.22 1cb5A1 GLY 387 HA3 -0.12 0.00 0.34 -0.51 4.01 3.72 1cb5A1 ALA 388 H -0.51 0.35 -0.41 -0.55 8.40 7.28 1cb5A1 ALA 388 HA -0.42 0.15 0.87 -0.75 4.34 4.19 1cb5A1 ALA 388 HB3 -0.19 0.01 -0.02 -0.04 1.41 1.18 1cb5A1 PHE 389 H -0.06 0.18 0.17 -0.55 8.34 8.07 1cb5A1 PHE 389 HA -0.16 0.14 1.20 -0.75 4.62 5.05 1cb5A1 PHE 389 HB2 -0.12 -0.06 -0.04 -0.04 3.15 2.89 1cb5A1 PHE 389 HB3 -0.64 0.17 0.15 -0.04 3.06 2.71 1cb5A1 PHE 389 HD2 -0.13 -0.00 -0.17 -0.04 7.28 6.94 1cb5A1 PHE 389 HE2 -0.07 0.05 -0.17 -0.04 7.38 7.14 1cb5A1 PHE 389 HZ -0.04 0.03 -0.14 -0.04 7.32 7.13 1cb5A1 THR 390 H -0.06 0.52 0.23 -0.55 8.28 8.42 1cb5A1 THR 390 HA 0.04 0.16 1.07 -0.75 4.39 4.90 1cb5A1 THR 390 HB -0.02 -0.00 0.03 -0.04 4.32 4.29 1cb5A1 THR 390 HG23 -0.04 0.00 -0.18 -0.04 1.22 0.96 1cb5A1 LYS 391 H -0.18 0.25 0.33 -0.55 8.42 8.26 1cb5A1 LYS 391 HA 0.23 0.11 0.78 -0.75 4.32 4.69 1cb5A1 LYS 391 HB2 0.20 0.09 -0.02 -0.04 1.87 2.10 1cb5A1 LYS 391 HB3 0.06 0.01 -0.17 -0.04 1.79 1.65 1cb5A1 LYS 391 HG2 -0.08 -0.17 0.01 -0.04 1.46 1.18 1cb5A1 LYS 391 HG3 0.05 0.01 -0.17 -0.04 1.46 1.31 1cb5A1 LYS 391 HD2 -0.26 0.07 -0.03 -0.04 1.69 1.43 1cb5A1 LYS 391 HD3 -0.14 -0.04 -0.05 -0.04 1.68 1.40 1cb5A1 LYS 391 HE2 -0.28 -0.14 0.03 -0.04 2.99 2.55 1cb5A1 LYS 391 HE3 -0.88 0.18 0.08 -0.04 2.99 2.34 1cb5A1 TRP 392 H 0.51 0.73 0.36 -0.55 7.97 9.03 1cb5A1 TRP 392 HA 0.06 0.23 1.10 -0.75 4.62 5.26 1cb5A1 TRP 392 HB2 0.19 -0.06 0.01 -0.04 3.23 3.34 1cb5A1 TRP 392 HB3 -0.13 0.09 0.12 -0.04 3.23 3.26 1cb5A1 TRP 392 HD1 0.21 0.16 -0.28 -0.04 7.22 7.28 1cb5A1 TRP 392 HE1 0.02 -0.08 -0.19 -0.04 10.20 9.92 1cb5A1 TRP 392 HE3 -0.57 0.09 -0.04 -0.04 7.59 7.03 1cb5A1 TRP 392 HZ2 -0.65 -0.05 -0.10 -0.04 7.44 6.59 1cb5A1 TRP 392 HZ3 -0.55 -0.00 -0.18 -0.04 7.13 6.36 1cb5A1 TRP 392 HH2 -1.19 0.09 -0.10 -0.04 7.19 5.95 1cb5A1 ARG 393 H -0.12 0.63 0.33 -0.55 8.46 8.75 1cb5A1 ARG 393 HA -0.11 0.31 1.02 -0.75 4.34 4.81 1cb5A1 ARG 393 HB2 -2.37 -0.00 -0.09 -0.04 1.90 -0.61 1cb5A1 ARG 393 HB3 -0.49 -0.13 0.08 -0.04 1.80 1.22 1cb5A1 ARG 393 HG2 0.12 -0.04 -0.23 -0.04 1.67 1.48 1cb5A1 ARG 393 HG3 0.04 0.12 0.04 -0.04 1.67 1.83 1cb5A1 ARG 393 HD2 -0.05 0.02 -0.15 -0.04 3.22 3.00 1cb5A1 ARG 393 HD3 -0.28 -0.04 -0.16 -0.04 3.22 2.70 1cb5A1 VAL 394 H 0.17 0.63 0.32 -0.55 8.24 8.82 1cb5A1 VAL 394 HA 0.11 0.37 1.21 -0.75 4.13 5.07 1cb5A1 VAL 394 HB 0.03 -0.10 -0.02 -0.04 2.12 1.98 1cb5A1 VAL 394 HG13 -0.12 -0.00 -0.33 -0.04 0.97 0.47 1cb5A1 VAL 394 HG23 0.08 0.01 -0.38 -0.04 0.95 0.62 1cb5A1 GLU 395 H -0.07 0.80 0.35 -0.55 8.60 9.13 1cb5A1 GLU 395 HA -1.16 0.19 0.86 -0.75 4.29 3.42 1cb5A1 GLU 395 HB2 -0.21 0.01 0.07 -0.04 2.09 1.92 1cb5A1 GLU 395 HB3 -0.11 -0.05 0.19 -0.04 1.99 1.98 1cb5A1 GLU 395 HG2 -0.21 -0.05 -0.23 -0.04 2.34 1.82 1cb5A1 GLU 395 HG3 -0.46 0.11 0.05 -0.04 2.34 2.00 1cb5A1 ASN 396 H -0.41 0.69 0.33 -0.55 8.53 8.59 1cb5A1 ASN 396 HA -0.43 0.05 0.73 -0.75 4.76 4.36 1cb5A1 ASN 396 HB2 -0.32 0.03 -0.07 -0.04 2.88 2.48 1cb5A1 ASN 396 HB3 -0.40 0.08 0.01 -0.04 2.79 2.43 1cb5A1 ASN 396 HD21 -3.19 -0.02 -0.08 -0.04 7.03 3.70 1cb5A1 ASN 396 HD22 -1.38 0.06 -0.12 -0.04 7.74 6.26 1cb5A1 SER 397 H -0.53 0.11 0.07 -0.55 8.46 7.56 1cb5A1 SER 397 HA -0.11 0.37 0.81 -0.75 4.49 4.81 1cb5A1 SER 397 HB2 -0.30 -0.11 0.03 -0.04 3.95 3.54 1cb5A1 SER 397 HB3 -0.07 0.11 -0.13 -0.04 3.93 3.80 1cb5A1 TRP 398 H -0.12 0.28 -0.11 -0.55 7.97 7.47 1cb5A1 TRP 398 HA -0.20 0.07 0.96 -0.75 4.62 4.70 1cb5A1 TRP 398 HB2 -0.46 0.06 0.06 -0.04 3.23 2.85 1cb5A1 TRP 398 HB3 -0.18 0.01 0.19 -0.04 3.23 3.21 1cb5A1 TRP 398 HD1 -0.22 0.17 -0.33 -0.04 7.22 6.81 1cb5A1 TRP 398 HE1 -0.15 0.01 -0.02 -0.04 10.20 10.00 1cb5A1 TRP 398 HE3 -0.43 0.01 -0.04 -0.04 7.59 7.09 1cb5A1 TRP 398 HZ2 -0.84 -0.00 -0.05 -0.04 7.44 6.51 1cb5A1 TRP 398 HZ3 0.34 -0.03 -0.08 -0.04 7.13 7.32 1cb5A1 TRP 398 HH2 -0.27 -0.01 -0.11 -0.04 7.19 6.75 1cb5A1 GLY 399 H 0.03 0.50 -0.05 -0.55 8.43 8.37 1cb5A1 GLY 399 HA2 0.04 0.12 0.10 -0.51 4.01 3.76 1cb5A1 GLY 399 HA3 0.06 0.04 0.42 -0.51 4.01 4.01 1cb5A1 GLU 400 H 0.05 0.14 0.07 -0.55 8.60 8.31 1cb5A1 GLU 400 HA 0.09 0.20 0.29 -0.75 4.29 4.12 1cb5A1 GLU 400 HB2 0.05 -0.01 0.05 -0.04 2.09 2.14 1cb5A1 GLU 400 HB3 0.04 -0.01 0.03 -0.04 1.99 2.01 1cb5A1 GLU 400 HG2 0.02 0.00 0.01 -0.04 2.34 2.33 1cb5A1 GLU 400 HG3 0.06 0.09 0.03 -0.04 2.34 2.48 1cb5A1 ASP 401 H 0.07 0.07 -0.16 -0.55 8.40 7.83 1cb5A1 ASP 401 HA 0.03 0.19 0.61 -0.75 4.63 4.70 1cb5A1 ASP 401 HB2 0.05 -0.00 0.02 -0.04 2.71 2.73 1cb5A1 ASP 401 HB3 0.03 0.02 0.13 -0.04 2.70 2.83 1cb5A1 HIS 402 H 0.20 0.15 -0.54 -0.55 8.41 7.67 1cb5A1 HIS 402 HA 0.09 0.11 0.74 -0.75 4.63 4.81 1cb5A1 HIS 402 HB2 0.24 -0.03 -0.03 -0.04 3.26 3.40 1cb5A1 HIS 402 HB3 0.19 0.15 -0.07 -0.04 3.20 3.42 1cb5A1 HIS 402 HD2 0.04 -0.02 -0.37 -0.04 6.97 6.57 1cb5A1 HIS 402 HE1 0.52 -0.07 -0.11 -0.04 7.75 8.04 1cb5A1 GLY 403 H -0.37 0.26 0.19 -0.55 8.43 7.96 1cb5A1 GLY 403 HA2 -0.23 0.06 0.04 -0.51 4.01 3.36 1cb5A1 GLY 403 HA3 -0.42 -0.03 0.29 -0.51 4.01 3.34 1cb5A1 HIS 404 H 0.05 0.60 0.23 -0.55 8.41 8.75 1cb5A1 HIS 404 HA -0.13 0.11 0.72 -0.75 4.63 4.58 1cb5A1 HIS 404 HB2 -0.56 0.07 0.10 -0.04 3.26 2.84 1cb5A1 HIS 404 HB3 -0.14 -0.05 0.18 -0.04 3.20 3.15 1cb5A1 HIS 404 HD2 -0.30 0.03 0.00 -0.04 6.97 6.66 1cb5A1 HIS 404 HE1 -0.03 0.01 -0.01 -0.04 7.75 7.67 1cb5A1 LYS 405 H -0.11 0.33 0.04 -0.55 8.42 8.13 1cb5A1 LYS 405 HA 0.01 0.23 0.40 -0.75 4.32 4.20 1cb5A1 LYS 405 HB2 -0.00 0.10 -0.05 -0.04 1.87 1.88 1cb5A1 LYS 405 HB3 0.05 -0.05 0.24 -0.04 1.79 1.99 1cb5A1 LYS 405 HG2 -0.29 -0.03 -0.05 -0.04 1.46 1.05 1cb5A1 LYS 405 HG3 -0.10 -0.02 0.01 -0.04 1.46 1.31 1cb5A1 LYS 405 HD2 -0.02 -0.06 0.06 -0.04 1.69 1.63 1cb5A1 LYS 405 HD3 -0.05 0.16 0.13 -0.04 1.68 1.89 1cb5A1 LYS 405 HE2 -0.13 0.01 0.03 -0.04 2.99 2.86 1cb5A1 LYS 405 HE3 -0.07 -0.03 0.02 -0.04 2.99 2.87 1cb5A1 GLY 406 H 0.11 0.75 -0.22 -0.55 8.43 8.52 1cb5A1 GLY 406 HA2 0.26 0.01 0.23 -0.51 4.01 4.00 1cb5A1 GLY 406 HA3 0.10 0.02 0.48 -0.51 4.01 4.10 1cb5A1 TYR 407 H 0.29 0.43 -0.51 -0.55 8.29 7.95 1cb5A1 TYR 407 HA 0.09 0.21 1.15 -0.75 4.56 5.26 1cb5A1 TYR 407 HB2 0.16 0.26 0.11 -0.04 3.06 3.55 1cb5A1 TYR 407 HB3 0.15 -0.05 0.07 -0.04 2.98 3.11 1cb5A1 TYR 407 HD2 0.06 0.09 -0.22 -0.04 7.15 7.04 1cb5A1 TYR 407 HE2 0.04 -0.02 -0.07 -0.04 6.85 6.77 1cb5A1 LEU 408 H 0.19 0.50 0.39 -0.55 8.37 8.91 1cb5A1 LEU 408 HA 0.23 0.31 1.02 -0.75 4.35 5.16 1cb5A1 LEU 408 HB2 0.07 -0.09 -0.10 -0.04 1.64 1.49 1cb5A1 LEU 408 HB3 0.11 -0.01 -0.18 -0.04 1.64 1.51 1cb5A1 LEU 408 HG 0.09 0.01 -0.28 -0.04 1.64 1.41 1cb5A1 LEU 408 HD13 -0.13 -0.02 -0.23 -0.04 0.93 0.51 1cb5A1 LEU 408 HD23 0.37 0.02 -0.24 -0.04 0.89 0.99 1cb5A1 CYS 409 H 0.18 0.65 0.31 -0.55 8.50 9.10 1cb5A1 CYS 409 HA 0.29 0.23 0.93 -0.75 4.58 5.29 1cb5A1 CYS 409 HB2 -0.39 0.04 -0.02 -0.04 2.97 2.57 1cb5A1 CYS 409 HB3 -0.18 0.01 0.18 -0.04 2.97 2.94 1cb5A1 MET 410 H 0.27 0.76 0.25 -0.55 8.47 9.21 1cb5A1 MET 410 HA 0.02 0.23 1.08 -0.75 4.52 5.10 1cb5A1 MET 410 HB2 0.00 -0.02 -0.11 -0.04 2.15 1.99 1cb5A1 MET 410 HB3 0.33 -0.03 0.07 -0.04 2.03 2.36 1cb5A1 MET 410 HG2 0.41 0.13 -0.22 -0.04 2.63 2.91 1cb5A1 MET 410 HG3 -0.24 0.00 -0.08 -0.04 2.56 2.20 1cb5A1 MET 410 HE3 -0.03 0.00 -0.22 -0.04 2.10 1.81 1cb5A1 THR 411 H 0.21 0.58 0.40 -0.55 8.28 8.92 1cb5A1 THR 411 HA 0.25 0.22 0.72 -0.75 4.39 4.83 1cb5A1 THR 411 HB 0.19 0.03 0.27 -0.04 4.32 4.76 1cb5A1 THR 411 HG23 0.12 0.06 0.13 -0.04 1.22 1.48 1cb5A1 ASP 412 H 0.28 0.80 0.27 -0.55 8.40 9.20 1cb5A1 ASP 412 HA 0.67 0.07 0.27 -0.75 4.63 4.89 1cb5A1 ASP 412 HB2 0.30 -0.04 -0.37 -0.04 2.71 2.56 1cb5A1 ASP 412 HB3 0.21 0.02 0.10 -0.04 2.70 2.99 1cb5A1 GLU 413 H 0.22 0.12 -0.13 -0.55 8.60 8.26 1cb5A1 GLU 413 HA 0.11 0.12 0.39 -0.75 4.29 4.15 1cb5A1 GLU 413 HB2 0.17 -0.14 0.10 -0.04 2.09 2.18 1cb5A1 GLU 413 HB3 0.08 0.06 0.02 -0.04 1.99 2.12 1cb5A1 GLU 413 HG2 0.07 0.07 0.06 -0.04 2.34 2.49 1cb5A1 GLU 413 HG3 0.11 -0.01 0.11 -0.04 2.34 2.52 1cb5A1 TRP 414 H 0.42 0.08 -0.24 -0.55 7.97 7.68 1cb5A1 TRP 414 HA 0.16 0.03 0.30 -0.75 4.62 4.35 1cb5A1 TRP 414 HB2 0.18 -0.18 -0.01 -0.04 3.23 3.18 1cb5A1 TRP 414 HB3 0.20 0.17 -0.03 -0.04 3.23 3.53 1cb5A1 TRP 414 HD1 0.26 -0.15 -0.32 -0.04 7.22 6.96 1cb5A1 TRP 414 HE1 0.21 0.54 -0.18 -0.04 10.20 10.73 1cb5A1 TRP 414 HE3 0.08 0.04 -0.55 -0.04 7.59 7.12 1cb5A1 TRP 414 HZ2 -0.06 0.24 -0.13 -0.04 7.44 7.46 1cb5A1 TRP 414 HZ3 0.03 -0.01 -0.32 -0.04 7.13 6.78 1cb5A1 TRP 414 HH2 0.01 -0.16 -0.46 -0.04 7.19 6.54 1cb5A1 PHE 415 H 0.52 0.41 -0.38 -0.55 8.34 8.35 1cb5A1 PHE 415 HA 0.16 -0.02 0.25 -0.75 4.62 4.26 1cb5A1 PHE 415 HB2 -0.02 0.01 -0.03 -0.04 3.15 3.07 1cb5A1 PHE 415 HB3 0.03 0.19 0.09 -0.04 3.06 3.34 1cb5A1 PHE 415 HD2 -1.35 0.02 -0.24 -0.04 7.28 5.67 1cb5A1 PHE 415 HE2 -1.57 0.02 -0.13 -0.04 7.38 5.66 1cb5A1 PHE 415 HZ -0.66 0.05 -0.28 -0.04 7.32 6.38 1cb5A1 SER 416 H 0.16 0.45 -0.19 -0.55 8.46 8.33 1cb5A1 SER 416 HA 0.01 -0.03 0.37 -0.75 4.49 4.09 1cb5A1 SER 416 HB2 -0.02 0.16 0.21 -0.04 3.95 4.25 1cb5A1 SER 416 HB3 -0.05 -0.07 0.02 -0.04 3.93 3.78 1cb5A1 GLU 417 H -0.22 0.40 -0.11 -0.55 8.60 8.12 1cb5A1 GLU 417 HA -0.46 0.02 0.54 -0.75 4.29 3.63 1cb5A1 GLU 417 HB2 -0.72 0.02 0.09 -0.04 2.09 1.43 1cb5A1 GLU 417 HB3 -1.23 -0.03 -0.02 -0.04 1.99 0.67 1cb5A1 GLU 417 HG2 -0.20 0.11 0.02 -0.04 2.34 2.23 1cb5A1 GLU 417 HG3 -0.27 -0.05 -0.02 -0.04 2.34 1.96 1cb5A1 TYR 418 H -0.71 0.67 0.01 -0.55 8.29 7.70 1cb5A1 TYR 418 HA -0.74 0.30 1.09 -0.75 4.56 4.46 1cb5A1 TYR 418 HB2 -2.60 0.05 -0.05 -0.04 3.06 0.42 1cb5A1 TYR 418 HB3 -0.67 -0.22 0.13 -0.04 2.98 2.18 1cb5A1 TYR 418 HD2 -0.87 -0.01 -0.07 -0.04 7.15 6.16 1cb5A1 TYR 418 HE2 -0.12 -0.02 -0.11 -0.04 6.85 6.56 1cb5A1 VAL 419 H -0.32 0.49 -0.01 -0.55 8.24 7.85 1cb5A1 VAL 419 HA -0.05 0.06 0.82 -0.75 4.13 4.20 1cb5A1 VAL 419 HB -0.15 0.25 0.16 -0.04 2.12 2.34 1cb5A1 VAL 419 HG13 -0.30 -0.01 -0.15 -0.04 0.97 0.47 1cb5A1 VAL 419 HG23 -0.64 -0.04 -0.07 -0.04 0.95 0.16 1cb5A1 TYR 420 H 0.10 0.47 0.34 -0.55 8.29 8.66 1cb5A1 TYR 420 HA -0.00 0.34 1.07 -0.75 4.56 5.21 1cb5A1 TYR 420 HB2 -0.00 -0.05 -0.07 -0.04 3.06 2.90 1cb5A1 TYR 420 HB3 -0.04 -0.04 0.02 -0.04 2.98 2.88 1cb5A1 TYR 420 HD2 0.00 0.02 -0.13 -0.04 7.15 7.00 1cb5A1 TYR 420 HE2 0.04 -0.01 -0.15 -0.04 6.85 6.68 1cb5A1 GLU 421 H 0.13 0.28 0.28 -0.55 8.60 8.74 1cb5A1 GLU 421 HA 0.12 0.27 0.78 -0.75 4.29 4.70 1cb5A1 GLU 421 HB2 0.08 0.10 0.11 -0.04 2.09 2.34 1cb5A1 GLU 421 HB3 0.10 -0.10 -0.55 -0.04 1.99 1.40 1cb5A1 GLU 421 HG2 0.31 -0.22 -0.06 -0.04 2.34 2.33 1cb5A1 GLU 421 HG3 0.39 0.11 -0.21 -0.04 2.34 2.58 1cb5A1 VAL 422 H 0.14 0.79 0.43 -0.55 8.24 9.05 1cb5A1 VAL 422 HA 0.29 0.18 0.99 -0.75 4.13 4.84 1cb5A1 VAL 422 HB 0.12 0.05 0.05 -0.04 2.12 2.29 1cb5A1 VAL 422 HG13 0.09 -0.02 -0.25 -0.04 0.97 0.75 1cb5A1 VAL 422 HG23 0.02 0.02 -0.13 -0.04 0.95 0.81 1cb5A1 VAL 423 H 0.17 0.48 0.26 -0.55 8.24 8.61 1cb5A1 VAL 423 HA -0.20 0.39 1.10 -0.75 4.13 4.66 1cb5A1 VAL 423 HB -0.29 -0.03 0.15 -0.04 2.12 1.91 1cb5A1 VAL 423 HG13 -1.49 -0.00 -0.24 -0.04 0.97 -0.79 1cb5A1 VAL 423 HG23 -0.57 -0.04 -0.24 -0.04 0.95 0.05 1cb5A1 VAL 424 H -0.12 0.46 0.28 -0.55 8.24 8.31 1cb5A1 VAL 424 HA -0.00 0.21 0.86 -0.75 4.13 4.45 1cb5A1 VAL 424 HB 0.02 0.02 0.10 -0.04 2.12 2.23 1cb5A1 VAL 424 HG13 -0.05 -0.01 -0.32 -0.04 0.97 0.55 1cb5A1 VAL 424 HG23 -0.01 0.02 -0.16 -0.04 0.95 0.76 1cb5A1 ASP 425 H 0.17 0.17 0.13 -0.55 8.40 8.32 1cb5A1 ASP 425 HA -0.02 0.18 0.52 -0.75 4.63 4.56 1cb5A1 ASP 425 HB2 0.08 0.07 0.09 -0.04 2.71 2.90 1cb5A1 ASP 425 HB3 0.12 -0.02 0.06 -0.04 2.70 2.82 1cb5A1 ARG 426 H -0.02 0.82 0.40 -0.55 8.46 9.11 1cb5A1 ARG 426 HA 0.01 0.02 0.39 -0.75 4.34 4.01 1cb5A1 ARG 426 HB2 -0.01 0.21 0.27 -0.04 1.90 2.32 1cb5A1 ARG 426 HB3 -0.02 -0.04 0.08 -0.04 1.80 1.78 1cb5A1 ARG 426 HG2 0.01 -0.03 0.00 -0.04 1.67 1.60 1cb5A1 ARG 426 HG3 0.01 0.01 0.02 -0.04 1.67 1.67 1cb5A1 ARG 426 HD2 -0.00 0.06 0.02 -0.04 3.22 3.26 1cb5A1 ARG 426 HD3 -0.01 -0.03 -0.00 -0.04 3.22 3.14 1cb5A1 LYS 427 H -0.08 0.09 -0.18 -0.55 8.42 7.69 1cb5A1 LYS 427 HA -0.08 0.04 0.23 -0.75 4.32 3.75 1cb5A1 LYS 427 HB2 -0.18 0.02 0.07 -0.04 1.87 1.73 1cb5A1 LYS 427 HB3 -0.13 -0.02 0.08 -0.04 1.79 1.67 1cb5A1 LYS 427 HG2 -0.29 -0.06 -0.07 -0.04 1.46 1.00 1cb5A1 LYS 427 HG3 -1.11 0.07 -0.33 -0.04 1.46 0.05 1cb5A1 LYS 427 HD2 -0.42 0.05 -0.07 -0.04 1.69 1.20 1cb5A1 LYS 427 HD3 -0.31 -0.01 -0.09 -0.04 1.68 1.23 1cb5A1 LYS 427 HE2 -0.05 0.03 -0.00 -0.04 2.99 2.92 1cb5A1 LYS 427 HE3 -0.10 -0.04 0.00 -0.04 2.99 2.81 1cb5A1 HIS 428 H -0.02 0.44 -0.59 -0.55 8.41 7.69 1cb5A1 HIS 428 HA 0.02 0.17 0.82 -0.75 4.63 4.88 1cb5A1 HIS 428 HB2 -0.01 0.06 -0.02 -0.04 3.26 3.25 1cb5A1 HIS 428 HB3 -0.01 -0.06 0.06 -0.04 3.20 3.15 1cb5A1 HIS 428 HD2 0.01 -0.13 0.03 -0.04 6.97 6.83 1cb5A1 HIS 428 HE1 0.03 0.08 -0.09 -0.04 7.75 7.72 1cb5A1 VAL 429 H 0.08 0.61 0.05 -0.55 8.24 8.42 1cb5A1 VAL 429 HA 0.21 0.15 0.78 -0.75 4.13 4.51 1cb5A1 VAL 429 HB 0.09 0.00 0.05 -0.04 2.12 2.22 1cb5A1 VAL 429 HG13 0.25 0.00 -0.10 -0.04 0.97 1.09 1cb5A1 VAL 429 HG23 0.10 0.02 -0.08 -0.04 0.95 0.95 1cb5A1 PRO 430 HA 0.06 0.10 0.44 -0.51 4.44 4.53 1cb5A1 PRO 430 HB2 0.02 -0.13 0.07 -0.04 2.28 2.20 1cb5A1 PRO 430 HB3 0.04 0.03 0.11 -0.04 2.02 2.16 1cb5A1 PRO 430 HG2 0.16 0.01 0.08 -0.04 2.03 2.25 1cb5A1 PRO 430 HG3 0.13 0.12 0.06 -0.04 2.03 2.30 1cb5A1 PRO 430 HD2 0.33 0.01 0.20 -0.04 3.68 4.18 1cb5A1 PRO 430 HD3 0.27 0.39 0.31 -0.04 3.65 4.58 1cb5A1 GLU 431 H 0.02 0.19 0.17 -0.55 8.60 8.43 1cb5A1 GLU 431 HA 0.02 0.13 0.35 -0.75 4.29 4.04 1cb5A1 GLU 431 HB2 0.01 -0.05 0.12 -0.04 2.09 2.12 1cb5A1 GLU 431 HB3 0.00 0.04 -0.02 -0.04 1.99 1.98 1cb5A1 GLU 431 HG2 0.01 0.01 0.11 -0.04 2.34 2.43 1cb5A1 GLU 431 HG3 0.01 0.02 0.03 -0.04 2.34 2.36 1cb5A1 GLU 432 H -0.00 0.09 -0.19 -0.55 8.60 7.94 1cb5A1 GLU 432 HA -0.01 0.09 0.34 -0.75 4.29 3.96 1cb5A1 GLU 432 HB2 -0.04 0.06 -0.01 -0.04 2.09 2.06 1cb5A1 GLU 432 HB3 -0.02 0.02 0.07 -0.04 1.99 2.02 1cb5A1 GLU 432 HG2 -0.02 -0.15 -0.04 -0.04 2.34 2.10 1cb5A1 GLU 432 HG3 -0.06 0.05 -0.09 -0.04 2.34 2.19 1cb5A1 VAL 433 H -0.02 0.34 -0.43 -0.55 8.24 7.59 1cb5A1 VAL 433 HA -0.06 0.10 0.62 -0.75 4.13 4.05 1cb5A1 VAL 433 HB 0.04 0.14 0.05 -0.04 2.12 2.31 1cb5A1 VAL 433 HG13 0.05 0.00 -0.14 -0.04 0.97 0.84 1cb5A1 VAL 433 HG23 -0.40 -0.03 -0.02 -0.04 0.95 0.46 1cb5A1 LEU 434 H 0.03 0.47 -0.03 -0.55 8.37 8.30 1cb5A1 LEU 434 HA 0.04 0.02 0.30 -0.75 4.35 3.95 1cb5A1 LEU 434 HB2 0.02 0.04 0.05 -0.04 1.64 1.71 1cb5A1 LEU 434 HB3 0.02 -0.02 0.01 -0.04 1.64 1.61 1cb5A1 LEU 434 HG 0.05 0.06 -0.20 -0.04 1.64 1.51 1cb5A1 LEU 434 HD13 0.02 0.00 -0.07 -0.04 0.93 0.85 1cb5A1 LEU 434 HD23 0.04 -0.01 -0.01 -0.04 0.89 0.87 1cb5A1 ALA 435 H 0.00 0.30 -0.77 -0.55 8.40 7.38 1cb5A1 ALA 435 HA -0.00 0.02 0.36 -0.75 4.34 3.96 1cb5A1 ALA 435 HB3 -0.01 0.07 0.01 -0.04 1.41 1.44 1cb5A1 VAL 436 H -0.00 0.41 -0.18 -0.55 8.24 7.92 1cb5A1 VAL 436 HA -0.01 0.02 0.31 -0.75 4.13 3.70 1cb5A1 VAL 436 HB 0.02 0.08 -0.04 -0.04 2.12 2.15 1cb5A1 VAL 436 HG13 0.01 0.01 -0.39 -0.04 0.97 0.57 1cb5A1 VAL 436 HG23 -0.00 0.03 0.09 -0.04 0.95 1.03 1cb5A1 LEU 437 H 0.01 0.31 -0.64 -0.55 8.37 7.51 1cb5A1 LEU 437 HA 0.01 -0.00 0.30 -0.75 4.35 3.90 1cb5A1 LEU 437 HB2 0.01 0.22 0.07 -0.04 1.64 1.90 1cb5A1 LEU 437 HB3 0.01 -0.05 0.04 -0.04 1.64 1.60 1cb5A1 LEU 437 HG 0.04 -0.06 -0.03 -0.04 1.64 1.54 1cb5A1 LEU 437 HD13 0.04 -0.01 -0.04 -0.04 0.93 0.88 1cb5A1 LEU 437 HD23 0.03 -0.01 0.01 -0.04 0.89 0.87 1cb5A1 GLU 438 H -0.01 0.65 -0.30 -0.55 8.60 8.40 1cb5A1 GLU 438 HA -0.01 0.06 0.53 -0.75 4.29 4.11 1cb5A1 GLU 438 HB2 -0.01 0.10 0.07 -0.04 2.09 2.21 1cb5A1 GLU 438 HB3 -0.01 -0.09 0.07 -0.04 1.99 1.91 1cb5A1 GLU 438 HG2 -0.00 0.07 0.07 -0.04 2.34 2.43 1cb5A1 GLU 438 HG3 -0.01 -0.09 0.02 -0.04 2.34 2.22 1cb5A1 GLN 439 H -0.02 0.30 -0.24 -0.55 8.47 7.96 1cb5A1 GLN 439 HA -0.03 0.05 0.50 -0.75 4.36 4.12 1cb5A1 GLN 439 HB2 -0.06 -0.08 0.15 -0.04 2.15 2.13 1cb5A1 GLN 439 HB3 -0.04 -0.05 0.09 -0.04 2.02 1.98 1cb5A1 GLN 439 HG2 -0.03 0.39 0.20 -0.04 2.40 2.92 1cb5A1 GLN 439 HG3 -0.07 -0.04 -0.14 -0.04 2.39 2.10 1cb5A1 GLN 439 HE21 -0.03 0.35 0.21 -0.04 6.97 7.45 1cb5A1 GLN 439 HE22 -0.02 -0.09 0.07 -0.04 7.69 7.60 1cb5A1 GLU 440 H -0.05 0.05 0.13 -0.55 8.60 8.18 1cb5A1 GLU 440 HA -0.05 0.15 0.58 -0.75 4.29 4.21 1cb5A1 GLU 440 HB2 -0.05 -0.04 0.12 -0.04 2.09 2.08 1cb5A1 GLU 440 HB3 -0.06 -0.05 0.12 -0.04 1.99 1.95 1cb5A1 GLU 440 HG2 -0.05 -0.08 -0.01 -0.04 2.34 2.16 1cb5A1 GLU 440 HG3 -0.07 0.15 -0.15 -0.04 2.34 2.23 1cb5A1 PRO 441 HA -0.14 0.14 0.30 -0.51 4.44 4.22 1cb5A1 PRO 441 HB2 -0.08 -0.02 -0.34 -0.04 2.28 1.79 1cb5A1 PRO 441 HB3 -0.07 0.05 -0.14 -0.04 2.02 1.82 1cb5A1 PRO 441 HG2 -0.08 -0.05 -0.00 -0.04 2.03 1.86 1cb5A1 PRO 441 HG3 -0.07 0.01 -0.03 -0.04 2.03 1.90 1cb5A1 PRO 441 HD2 -0.06 0.00 0.20 -0.04 3.68 3.78 1cb5A1 PRO 441 HD3 -0.06 0.34 0.18 -0.04 3.65 4.07 1cb5A1 ILE 442 H -0.30 0.73 0.36 -0.55 8.25 8.49 1cb5A1 ILE 442 HA -0.13 0.05 0.60 -0.75 4.18 3.95 1cb5A1 ILE 442 HB -0.48 -0.03 0.22 -0.04 1.89 1.56 1cb5A1 ILE 442 HG12 -0.18 -0.02 0.07 -0.04 1.49 1.31 1cb5A1 ILE 442 HG13 -0.38 0.14 0.18 -0.04 1.21 1.11 1cb5A1 ILE 442 HG23 -0.04 -0.01 -0.14 -0.04 0.93 0.70 1cb5A1 ILE 442 HD13 -0.40 -0.02 0.05 -0.04 0.88 0.47 1cb5A1 ILE 443 H -0.07 0.13 0.17 -0.55 8.25 7.93 1cb5A1 ILE 443 HA -0.07 0.22 0.75 -0.75 4.18 4.31 1cb5A1 ILE 443 HB -0.08 -0.04 0.12 -0.04 1.89 1.85 1cb5A1 ILE 443 HG12 -0.09 0.02 -0.13 -0.04 1.49 1.25 1cb5A1 ILE 443 HG13 -0.08 0.08 0.05 -0.04 1.21 1.22 1cb5A1 ILE 443 HG23 -0.12 -0.00 -0.14 -0.04 0.93 0.63 1cb5A1 ILE 443 HD13 -0.09 -0.02 -0.02 -0.04 0.88 0.72 1cb5A1 LEU 444 H -0.07 0.78 0.47 -0.55 8.37 9.00 1cb5A1 LEU 444 HA -0.09 0.17 0.82 -0.75 4.35 4.49 1cb5A1 LEU 444 HB2 -0.06 -0.03 0.04 -0.04 1.64 1.55 1cb5A1 LEU 444 HB3 -0.09 -0.02 0.08 -0.04 1.64 1.58 1cb5A1 LEU 444 HG 0.05 0.08 -0.08 -0.04 1.64 1.65 1cb5A1 LEU 444 HD13 -0.05 -0.02 -0.11 -0.04 0.93 0.70 1cb5A1 LEU 444 HD23 -0.09 0.02 -0.15 -0.04 0.89 0.64 1cb5A1 PRO 445 HA -0.60 0.06 0.48 -0.51 4.44 3.86 1cb5A1 PRO 445 HB2 -1.55 -0.02 -0.01 -0.04 2.28 0.66 1cb5A1 PRO 445 HB3 -2.04 0.02 0.09 -0.04 2.02 0.05 1cb5A1 PRO 445 HG2 -0.22 0.06 0.07 -0.04 2.03 1.90 1cb5A1 PRO 445 HG3 -0.30 0.08 0.07 -0.04 2.03 1.85 1cb5A1 PRO 445 HD2 -0.23 0.07 0.20 -0.04 3.68 3.68 1cb5A1 PRO 445 HD3 -0.15 0.22 0.25 -0.04 3.65 3.93 1cb5A1 ALA 446 H -0.61 0.12 0.18 -0.55 8.40 7.54 1cb5A1 ALA 446 HA -0.16 0.24 0.38 -0.75 4.34 4.06 1cb5A1 ALA 446 HB3 0.05 -0.01 0.05 -0.04 1.41 1.46 1cb5A1 TRP 447 H -1.11 -0.04 -0.35 -0.55 7.97 5.92 1cb5A1 TRP 447 HA -0.99 0.24 0.50 -0.75 4.62 3.61 1cb5A1 TRP 447 HB2 -0.26 0.04 0.07 -0.04 3.23 3.05 1cb5A1 TRP 447 HB3 -0.81 0.00 -0.02 -0.04 3.23 2.36 1cb5A1 TRP 447 HD1 -0.10 0.04 -0.27 -0.04 7.22 6.85 1cb5A1 TRP 447 HE1 -0.06 0.01 -0.07 -0.04 10.20 10.05 1cb5A1 TRP 447 HE3 -0.23 0.08 -0.08 -0.04 7.59 7.32 1cb5A1 TRP 447 HZ2 -0.03 0.03 -0.01 -0.04 7.44 7.40 1cb5A1 TRP 447 HZ3 -0.01 -0.06 -0.07 -0.04 7.13 6.95 1cb5A1 TRP 447 HH2 -0.01 0.01 -0.00 -0.04 7.19 7.15 1cb5A1 ASP 448 H -0.45 0.60 -0.52 -0.55 8.40 7.48 1cb5A1 ASP 448 HA -0.05 0.09 0.40 -0.75 4.63 4.31 1cb5A1 ASP 448 HB2 -0.26 0.02 0.08 -0.04 2.71 2.51 1cb5A1 ASP 448 HB3 -0.10 -0.03 -0.02 -0.04 2.70 2.51 1cb5A1 PRO 449 HA 0.03 0.16 0.40 -0.51 4.44 4.52 1cb5A1 PRO 449 HB2 -0.07 -0.02 0.08 -0.04 2.28 2.23 1cb5A1 PRO 449 HB3 0.01 0.12 0.16 -0.04 2.02 2.26 1cb5A1 PRO 449 HG2 -0.02 -0.09 0.05 -0.04 2.03 1.93 1cb5A1 PRO 449 HG3 0.00 0.22 0.10 -0.04 2.03 2.30 1cb5A1 PRO 449 HD2 0.02 0.00 0.24 -0.04 3.68 3.91 1cb5A1 PRO 449 HD3 0.07 0.26 0.21 -0.04 3.65 4.15 1cb5A1 MET 450 H -0.00 0.12 -0.43 -0.55 8.47 7.60 1cb5A1 MET 450 HA -0.12 0.11 0.56 -0.75 4.52 4.31 1cb5A1 MET 450 HB2 0.05 0.02 -0.07 -0.04 2.15 2.11 1cb5A1 MET 450 HB3 -0.06 0.00 -0.02 -0.04 2.03 1.91 1cb5A1 MET 450 HG2 -0.03 -0.01 -0.07 -0.04 2.63 2.48 1cb5A1 MET 450 HG3 -0.06 0.01 -0.07 -0.04 2.56 2.41 1cb5A1 MET 450 HE3 -0.19 0.01 -0.09 -0.04 2.10 1.78 1cb5A1 GLY 451 H 0.06 0.54 -0.50 -0.55 8.43 7.99 1cb5A1 GLY 451 HA2 0.26 0.07 0.67 -0.51 4.01 4.50 1cb5A1 GLY 451 HA3 0.12 0.11 0.22 -0.51 4.01 3.95 1cb5A1 ALA 452 H 0.03 0.15 -0.73 -0.55 8.40 7.30 1cb5A1 ALA 452 HA 0.07 0.06 0.21 -0.75 4.34 3.92 1cb5A1 ALA 452 HB3 -0.02 0.13 0.04 -0.04 1.41 1.53 1cb5A1 LEU 453 H 0.07 -0.09 -0.73 -0.55 8.37 7.07 1cb5A1 LEU 453 HA -0.04 -0.10 0.06 -0.75 4.35 3.52 1cb5A1 LEU 453 HB2 0.04 0.24 -0.26 -0.04 1.64 1.62 1cb5A1 LEU 453 HB3 -0.06 -0.10 -0.11 -0.04 1.64 1.34 1cb5A1 LEU 453 HG 0.05 0.12 -0.16 -0.04 1.64 1.61 1cb5A1 LEU 453 HD13 0.06 0.01 -0.13 -0.04 0.93 0.83 1cb5A1 LEU 453 HD23 -0.17 0.02 -0.38 -0.04 0.89 0.31 1cb5A1 ALA 454 H -0.02 0.17 -0.11 -0.55 8.40 7.90 1cb5A1 ALA 454 HA 0.03 0.44 0.49 -0.75 4.34 4.55 1cb5A1 ALA 454 HB3 -0.00 -0.04 -0.41 -0.04 1.41 0.92