============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 13 0.900 -1.752 -18.555 -11.382 -99.200 -91.000 TYR 25 0.840 2.198 -9.447 7.688 -99.200 -91.000 HIS 36 0.900 11.908 -16.477 3.047 -99.200 -91.000 HIS 45 0.900 8.234 -2.981 -15.095 -99.200 -91.000 PHE 46 1.000 0.464 -7.602 -9.990 -99.200 -91.000 HIS 47 0.900 7.138 -7.031 -6.657 -99.200 -91.000 HIS 48 0.900 1.618 -1.050 -10.121 -99.200 -91.000 TYR 52 0.840 -4.738 1.286 -4.779 -99.200 -91.000 PHE 67 1.000 -1.560 2.850 11.076 -99.200 -91.000 TRP 78 1.040 10.559 2.081 0.528 -99.200 -91.000 TRP6 78 1.020 12.291 3.663 0.776 -99.200 -91.000 TYR 92 0.840 2.382 5.748 0.852 -99.200 -91.000 TYR 96 0.840 -1.717 10.805 -1.059 -99.200 -91.000 HIS 108 0.900 -13.573 7.265 12.513 -99.200 -91.000 TYR 110 0.840 -8.587 12.979 3.572 -99.200 -91.000 PHE 116 1.000 0.303 2.587 6.418 -99.200 -91.000 PHE 121 1.000 8.999 13.139 7.463 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2hm8A16 GLY 314 HA2 -0.00 -0.07 0.18 -0.51 4.01 3.61 2hm8A16 GLY 314 HA3 -0.00 -0.02 0.19 -0.51 4.01 3.67 2hm8A16 PRO 315 HA -0.00 0.12 0.44 -0.51 4.44 4.49 2hm8A16 PRO 315 HB2 -0.00 -0.09 -0.01 -0.04 2.28 2.14 2hm8A16 PRO 315 HB3 -0.00 0.06 0.10 -0.04 2.02 2.13 2hm8A16 PRO 315 HG2 -0.00 -0.10 0.13 -0.04 2.03 2.02 2hm8A16 PRO 315 HG3 -0.00 0.06 0.08 -0.04 2.03 2.13 2hm8A16 PRO 315 HD2 -0.00 0.07 0.20 -0.04 3.68 3.90 2hm8A16 PRO 315 HD3 -0.00 0.22 0.15 -0.04 3.65 3.98 2hm8A16 LEU 316 H -0.00 0.12 -0.06 -0.55 8.37 7.88 2hm8A16 LEU 316 HA -0.00 0.01 0.28 -0.75 4.35 3.89 2hm8A16 LEU 316 HB2 -0.00 0.19 0.11 -0.04 1.64 1.90 2hm8A16 LEU 316 HB3 -0.00 -0.05 0.15 -0.04 1.64 1.70 2hm8A16 LEU 316 HG -0.00 0.17 -0.69 -0.04 1.64 1.08 2hm8A16 LEU 316 HD13 -0.00 -0.00 -0.05 -0.04 0.93 0.83 2hm8A16 LEU 316 HD23 -0.00 -0.02 -0.05 -0.04 0.89 0.78 2hm8A16 GLY 317 H -0.00 -0.07 -0.31 -0.55 8.43 7.50 2hm8A16 GLY 317 HA2 -0.00 0.25 0.75 -0.51 4.01 4.49 2hm8A16 GLY 317 HA3 -0.00 -0.01 0.22 -0.51 4.01 3.70 2hm8A16 SER 318 H -0.00 0.18 0.06 -0.55 8.46 8.15 2hm8A16 SER 318 HA -0.00 0.21 0.92 -0.75 4.49 4.87 2hm8A16 SER 318 HB2 -0.00 -0.01 0.16 -0.04 3.95 4.05 2hm8A16 SER 318 HB3 -0.00 -0.01 0.05 -0.04 3.93 3.93 2hm8A16 GLY 319 H -0.00 0.22 -0.04 -0.55 8.43 8.06 2hm8A16 GLY 319 HA2 -0.00 0.02 0.43 -0.51 4.01 3.95 2hm8A16 GLY 319 HA3 -0.00 0.04 0.33 -0.51 4.01 3.87 2hm8A16 GLY 320 H -0.00 0.19 0.25 -0.55 8.43 8.33 2hm8A16 GLY 320 HA2 -0.00 0.06 0.46 -0.51 4.01 4.02 2hm8A16 GLY 320 HA3 -0.00 0.05 0.29 -0.51 4.01 3.84 2hm8A16 GLN 321 H -0.00 0.31 0.26 -0.55 8.47 8.49 2hm8A16 GLN 321 HA 0.00 0.18 0.88 -0.75 4.36 4.67 2hm8A16 GLN 321 HB2 0.00 -0.02 -0.11 -0.04 2.15 1.97 2hm8A16 GLN 321 HB3 0.00 0.00 -0.04 -0.04 2.02 1.94 2hm8A16 GLN 321 HG2 0.01 -0.04 0.13 -0.04 2.40 2.46 2hm8A16 GLN 321 HG3 0.01 0.06 0.03 -0.04 2.39 2.45 2hm8A16 GLN 321 HE21 0.02 0.02 0.01 -0.04 6.97 6.97 2hm8A16 GLN 321 HE22 0.01 -0.01 -0.02 -0.04 7.69 7.63 2hm8A16 GLN 322 H 0.01 0.27 0.20 -0.55 8.47 8.40 2hm8A16 GLN 322 HA -0.00 0.09 0.54 -0.75 4.36 4.24 2hm8A16 GLN 322 HB2 -0.01 0.07 0.08 -0.04 2.15 2.26 2hm8A16 GLN 322 HB3 -0.00 0.10 0.07 -0.04 2.02 2.15 2hm8A16 GLN 322 HG2 -0.00 -0.04 -0.34 -0.04 2.40 1.98 2hm8A16 GLN 322 HG3 0.00 -0.03 -0.07 -0.04 2.39 2.25 2hm8A16 GLN 322 HE21 -0.01 -0.00 -0.06 -0.04 6.97 6.86 2hm8A16 GLN 322 HE22 -0.01 -0.01 -0.04 -0.04 7.69 7.60 2hm8A16 PRO 323 HA 0.04 0.06 0.48 -0.51 4.44 4.51 2hm8A16 PRO 323 HB2 -0.01 -0.14 0.03 -0.04 2.28 2.13 2hm8A16 PRO 323 HB3 -0.01 0.05 0.13 -0.04 2.02 2.15 2hm8A16 PRO 323 HG2 -0.02 0.04 0.11 -0.04 2.03 2.11 2hm8A16 PRO 323 HG3 -0.03 0.07 0.10 -0.04 2.03 2.14 2hm8A16 PRO 323 HD2 -0.01 0.15 0.26 -0.04 3.68 4.04 2hm8A16 PRO 323 HD3 -0.01 0.16 0.19 -0.04 3.65 3.95 2hm8A16 VAL 324 H 0.06 0.09 0.08 -0.55 8.24 7.93 2hm8A16 VAL 324 HA -0.01 0.18 0.76 -0.75 4.13 4.32 2hm8A16 VAL 324 HB -0.00 -0.01 0.17 -0.04 2.12 2.24 2hm8A16 VAL 324 HG13 -0.01 0.01 -0.02 -0.04 0.97 0.92 2hm8A16 VAL 324 HG23 0.01 0.09 -0.23 -0.04 0.95 0.78 2hm8A16 ASN 325 H -0.02 0.22 0.04 -0.55 8.53 8.22 2hm8A16 ASN 325 HA -0.03 -0.02 0.34 -0.75 4.76 4.30 2hm8A16 ASN 325 HB2 -0.01 0.25 0.07 -0.04 2.88 3.15 2hm8A16 ASN 325 HB3 0.01 -0.03 0.18 -0.04 2.79 2.91 2hm8A16 ASN 325 HD21 0.00 -0.05 0.04 -0.04 7.03 6.98 2hm8A16 ASN 325 HD22 -0.00 0.07 -0.01 -0.04 7.74 7.76 2hm8A16 HIS 326 H 0.08 0.00 -0.25 -0.55 8.41 7.69 2hm8A16 HIS 326 HA 0.01 0.25 0.52 -0.75 4.63 4.66 2hm8A16 HIS 326 HB2 -0.01 -0.11 0.07 -0.04 3.26 3.17 2hm8A16 HIS 326 HB3 -0.01 0.01 0.03 -0.04 3.20 3.18 2hm8A16 HIS 326 HD2 -0.00 0.01 0.01 -0.04 6.97 6.95 2hm8A16 HIS 326 HE1 0.01 0.03 -0.01 -0.04 7.75 7.74 2hm8A16 LEU 327 H 0.06 0.07 0.00 -0.55 8.37 7.96 2hm8A16 LEU 327 HA 0.15 0.16 0.44 -0.75 4.35 4.35 2hm8A16 LEU 327 HB2 -0.14 -0.03 0.08 -0.04 1.64 1.51 2hm8A16 LEU 327 HB3 0.26 0.04 -0.04 -0.04 1.64 1.85 2hm8A16 LEU 327 HG 0.04 0.04 0.01 -0.04 1.64 1.69 2hm8A16 LEU 327 HD13 -0.06 0.00 0.02 -0.04 0.93 0.85 2hm8A16 LEU 327 HD23 0.14 0.02 -0.02 -0.04 0.89 0.99 2hm8A16 VAL 328 H 0.08 0.02 -0.51 -0.55 8.24 7.29 2hm8A16 VAL 328 HA 0.44 0.04 0.32 -0.75 4.13 4.18 2hm8A16 VAL 328 HB 0.09 0.25 0.01 -0.04 2.12 2.42 2hm8A16 VAL 328 HG13 0.13 0.01 0.01 -0.04 0.97 1.07 2hm8A16 VAL 328 HG23 0.08 -0.04 0.02 -0.04 0.95 0.97 2hm8A16 LYS 329 H 0.11 0.30 -0.49 -0.55 8.42 7.78 2hm8A16 LYS 329 HA 0.06 0.06 0.45 -0.75 4.32 4.13 2hm8A16 LYS 329 HB2 0.04 0.18 0.16 -0.04 1.87 2.21 2hm8A16 LYS 329 HB3 0.05 0.01 -0.06 -0.04 1.79 1.75 2hm8A16 LYS 329 HG2 -0.00 0.01 0.02 -0.04 1.46 1.45 2hm8A16 LYS 329 HG3 0.02 -0.04 0.04 -0.04 1.46 1.43 2hm8A16 LYS 329 HD2 -0.00 -0.02 0.02 -0.04 1.69 1.66 2hm8A16 LYS 329 HD3 -0.07 0.05 0.08 -0.04 1.68 1.70 2hm8A16 LYS 329 HE2 -0.04 0.03 0.01 -0.04 2.99 2.95 2hm8A16 LYS 329 HE3 -0.05 -0.00 0.01 -0.04 2.99 2.91 2hm8A16 GLU 330 H 0.14 0.23 -0.29 -0.55 8.60 8.12 2hm8A16 GLU 330 HA 0.07 0.08 0.36 -0.75 4.29 4.05 2hm8A16 GLU 330 HB2 0.11 0.01 0.11 -0.04 2.09 2.27 2hm8A16 GLU 330 HB3 0.14 0.14 0.18 -0.04 1.99 2.41 2hm8A16 GLU 330 HG2 0.05 -0.02 -0.04 -0.04 2.34 2.30 2hm8A16 GLU 330 HG3 0.07 0.04 -0.05 -0.04 2.34 2.35 2hm8A16 ILE 331 H 0.10 0.38 -0.14 -0.55 8.25 8.04 2hm8A16 ILE 331 HA -0.01 0.08 0.45 -0.75 4.18 3.94 2hm8A16 ILE 331 HB -0.03 0.07 0.09 -0.04 1.89 1.98 2hm8A16 ILE 331 HG12 -0.09 0.01 -0.01 -0.04 1.49 1.36 2hm8A16 ILE 331 HG13 0.05 0.07 0.02 -0.04 1.21 1.31 2hm8A16 ILE 331 HG23 -0.11 -0.02 -0.07 -0.04 0.93 0.70 2hm8A16 ILE 331 HD13 -0.66 -0.03 -0.09 -0.04 0.88 0.06 2hm8A16 ASP 332 H 0.04 0.49 -0.06 -0.55 8.40 8.33 2hm8A16 ASP 332 HA 0.01 0.01 0.36 -0.75 4.63 4.25 2hm8A16 ASP 332 HB2 0.04 0.18 0.17 -0.04 2.71 3.06 2hm8A16 ASP 332 HB3 0.03 0.05 0.05 -0.04 2.70 2.79 2hm8A16 MET 333 H 0.04 0.53 -0.42 -0.55 8.47 8.07 2hm8A16 MET 333 HA 0.03 0.02 0.52 -0.75 4.52 4.33 2hm8A16 MET 333 HB2 0.04 0.19 0.14 -0.04 2.15 2.48 2hm8A16 MET 333 HB3 0.03 -0.08 0.02 -0.04 2.03 1.97 2hm8A16 MET 333 HG2 0.03 -0.07 0.02 -0.04 2.63 2.57 2hm8A16 MET 333 HG3 0.04 -0.02 -0.01 -0.04 2.56 2.52 2hm8A16 MET 333 HE3 0.02 -0.00 -0.04 -0.04 2.10 2.03 2hm8A16 LEU 334 H 0.03 0.36 -0.27 -0.55 8.37 7.94 2hm8A16 LEU 334 HA 0.04 0.01 0.44 -0.75 4.35 4.07 2hm8A16 LEU 334 HB2 0.01 0.20 0.33 -0.04 1.64 2.14 2hm8A16 LEU 334 HB3 -0.01 -0.04 0.05 -0.04 1.64 1.60 2hm8A16 LEU 334 HG 0.01 0.01 0.07 -0.04 1.64 1.69 2hm8A16 LEU 334 HD13 -0.05 -0.04 -0.01 -0.04 0.93 0.79 2hm8A16 LEU 334 HD23 -0.02 -0.00 0.08 -0.04 0.89 0.91 2hm8A16 LEU 335 H 0.02 0.55 -0.11 -0.55 8.37 8.29 2hm8A16 LEU 335 HA 0.12 0.02 0.39 -0.75 4.35 4.13 2hm8A16 LEU 335 HB2 0.01 0.10 0.08 -0.04 1.64 1.80 2hm8A16 LEU 335 HB3 0.02 -0.01 -0.05 -0.04 1.64 1.57 2hm8A16 LEU 335 HG -0.01 0.05 -0.01 -0.04 1.64 1.63 2hm8A16 LEU 335 HD13 -0.04 0.02 -0.14 -0.04 0.93 0.73 2hm8A16 LEU 335 HD23 0.02 -0.01 -0.05 -0.04 0.89 0.81 2hm8A16 LYS 336 H 0.03 0.40 -0.18 -0.55 8.42 8.12 2hm8A16 LYS 336 HA 0.01 0.03 0.37 -0.75 4.32 3.98 2hm8A16 LYS 336 HB2 0.02 0.07 0.22 -0.04 1.87 2.14 2hm8A16 LYS 336 HB3 0.01 -0.01 -0.02 -0.04 1.79 1.73 2hm8A16 LYS 336 HG2 0.01 -0.02 0.06 -0.04 1.46 1.47 2hm8A16 LYS 336 HG3 0.01 0.00 0.02 -0.04 1.46 1.45 2hm8A16 LYS 336 HD2 0.00 0.00 -0.01 -0.04 1.69 1.64 2hm8A16 LYS 336 HD3 -0.00 -0.02 0.02 -0.04 1.68 1.63 2hm8A16 LYS 336 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.92 2hm8A16 LYS 336 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.92 2hm8A16 GLU 337 H 0.04 0.74 -0.07 -0.55 8.60 8.77 2hm8A16 GLU 337 HA 0.03 0.02 0.40 -0.75 4.29 3.98 2hm8A16 GLU 337 HB2 0.04 0.07 0.14 -0.04 2.09 2.30 2hm8A16 GLU 337 HB3 0.06 0.04 0.13 -0.04 1.99 2.19 2hm8A16 GLU 337 HG2 0.05 -0.08 -0.13 -0.04 2.34 2.14 2hm8A16 GLU 337 HG3 0.03 -0.02 0.05 -0.04 2.34 2.36 2hm8A16 TYR 338 H 0.15 0.61 -0.22 -0.55 8.29 8.28 2hm8A16 TYR 338 HA 0.00 -0.17 0.44 -0.75 4.56 4.08 2hm8A16 TYR 338 HB2 0.00 -0.02 0.11 -0.04 3.06 3.11 2hm8A16 TYR 338 HB3 -0.00 0.15 0.15 -0.04 2.98 3.24 2hm8A16 TYR 338 HD2 0.00 -0.06 -0.11 -0.04 7.15 6.93 2hm8A16 TYR 338 HE2 0.01 -0.01 -0.44 -0.04 6.85 6.38 2hm8A16 LEU 339 H 0.02 0.63 -0.26 -0.55 8.37 8.22 2hm8A16 LEU 339 HA -0.28 -0.04 0.30 -0.75 4.35 3.57 2hm8A16 LEU 339 HB2 -0.03 0.18 0.16 -0.04 1.64 1.92 2hm8A16 LEU 339 HB3 -0.06 -0.09 -0.00 -0.04 1.64 1.45 2hm8A16 LEU 339 HG 0.01 0.07 0.02 -0.04 1.64 1.70 2hm8A16 LEU 339 HD13 -0.01 -0.04 -0.15 -0.04 0.93 0.70 2hm8A16 LEU 339 HD23 -0.05 -0.04 -0.02 -0.04 0.89 0.75 2hm8A16 LEU 340 H -0.04 0.25 -0.67 -0.55 8.37 7.36 2hm8A16 LEU 340 HA -0.05 0.07 0.63 -0.75 4.35 4.25 2hm8A16 LEU 340 HB2 -0.01 0.14 0.22 -0.04 1.64 1.95 2hm8A16 LEU 340 HB3 -0.01 -0.05 -0.01 -0.04 1.64 1.52 2hm8A16 LEU 340 HG -0.02 0.03 -0.05 -0.04 1.64 1.57 2hm8A16 LEU 340 HD13 -0.00 -0.03 -0.04 -0.04 0.93 0.82 2hm8A16 LEU 340 HD23 -0.02 -0.01 0.00 -0.04 0.89 0.82 2hm8A16 SER 341 H -0.02 0.47 0.13 -0.55 8.46 8.49 2hm8A16 SER 341 HA -0.02 0.10 0.56 -0.75 4.49 4.38 2hm8A16 SER 341 HB2 0.04 -0.03 0.22 -0.04 3.95 4.15 2hm8A16 SER 341 HB3 0.03 -0.07 0.03 -0.04 3.93 3.87 2hm8A16 GLY 342 H -0.03 0.02 0.21 -0.55 8.43 8.07 2hm8A16 GLY 342 HA2 -0.52 0.08 0.26 -0.51 4.01 3.32 2hm8A16 GLY 342 HA3 -0.11 0.23 0.84 -0.51 4.01 4.46 2hm8A16 ASP 343 H 0.23 0.05 0.09 -0.55 8.40 8.21 2hm8A16 ASP 343 HA 0.12 0.27 0.94 -0.75 4.63 5.20 2hm8A16 ASP 343 HB2 0.06 0.11 0.03 -0.04 2.71 2.87 2hm8A16 ASP 343 HB3 0.06 -0.15 0.24 -0.04 2.70 2.80 2hm8A16 ILE 344 H 0.17 0.39 0.06 -0.55 8.25 8.32 2hm8A16 ILE 344 HA -0.33 0.06 0.35 -0.75 4.18 3.50 2hm8A16 ILE 344 HB 0.01 0.02 0.06 -0.04 1.89 1.93 2hm8A16 ILE 344 HG12 -0.00 0.03 -0.06 -0.04 1.49 1.41 2hm8A16 ILE 344 HG13 0.23 -0.00 0.01 -0.04 1.21 1.40 2hm8A16 ILE 344 HG23 -0.08 0.02 0.01 -0.04 0.93 0.83 2hm8A16 ILE 344 HD13 0.08 0.02 -0.04 -0.04 0.88 0.90 2hm8A16 SER 345 H -0.01 0.07 -0.39 -0.55 8.46 7.59 2hm8A16 SER 345 HA -0.05 0.14 0.42 -0.75 4.49 4.25 2hm8A16 SER 345 HB2 -0.04 0.03 0.06 -0.04 3.95 3.95 2hm8A16 SER 345 HB3 -0.09 -0.01 0.00 -0.04 3.93 3.80 2hm8A16 GLU 346 H -0.03 0.13 -0.16 -0.55 8.60 8.00 2hm8A16 GLU 346 HA -0.06 0.12 0.48 -0.75 4.29 4.08 2hm8A16 GLU 346 HB2 -0.00 -0.05 0.13 -0.04 2.09 2.13 2hm8A16 GLU 346 HB3 0.04 0.03 0.03 -0.04 1.99 2.05 2hm8A16 GLU 346 HG2 0.02 0.01 0.04 -0.04 2.34 2.37 2hm8A16 GLU 346 HG3 -0.01 0.02 0.03 -0.04 2.34 2.33 2hm8A16 ALA 347 H -0.04 0.49 -0.08 -0.55 8.40 8.22 2hm8A16 ALA 347 HA -0.02 0.07 0.45 -0.75 4.34 4.08 2hm8A16 ALA 347 HB3 -0.28 0.01 0.05 -0.04 1.41 1.15 2hm8A16 GLU 348 H -0.09 0.58 -0.08 -0.55 8.60 8.47 2hm8A16 GLU 348 HA -0.06 -0.01 0.39 -0.75 4.29 3.86 2hm8A16 GLU 348 HB2 -0.02 -0.02 0.04 -0.04 2.09 2.05 2hm8A16 GLU 348 HB3 -0.06 0.05 0.14 -0.04 1.99 2.08 2hm8A16 GLU 348 HG2 0.01 0.07 0.22 -0.04 2.34 2.60 2hm8A16 GLU 348 HG3 0.12 0.02 -0.21 -0.04 2.34 2.23 2hm8A16 HIS 349 H 0.11 0.28 -0.52 -0.55 8.41 7.73 2hm8A16 HIS 349 HA -0.02 0.05 0.38 -0.75 4.63 4.28 2hm8A16 HIS 349 HB2 -0.01 0.14 0.24 -0.04 3.26 3.59 2hm8A16 HIS 349 HB3 -0.01 -0.03 -0.04 -0.04 3.20 3.08 2hm8A16 HIS 349 HD2 -0.02 -0.02 -0.01 -0.04 6.97 6.88 2hm8A16 HIS 349 HE1 -0.00 -0.02 -0.01 -0.04 7.75 7.67 2hm8A16 CYS 350 H 0.05 0.36 -0.38 -0.55 8.50 7.99 2hm8A16 CYS 350 HA 0.03 0.04 0.45 -0.75 4.58 4.35 2hm8A16 CYS 350 HB2 0.01 0.21 0.25 -0.04 2.97 3.40 2hm8A16 CYS 350 HB3 0.01 -0.05 -0.00 -0.04 2.97 2.89 2hm8A16 LEU 351 H -0.03 0.36 -0.04 -0.55 8.37 8.11 2hm8A16 LEU 351 HA -0.03 -0.05 0.34 -0.75 4.35 3.85 2hm8A16 LEU 351 HB2 -0.13 -0.04 0.11 -0.04 1.64 1.53 2hm8A16 LEU 351 HB3 -0.12 0.16 0.06 -0.04 1.64 1.70 2hm8A16 LEU 351 HG -0.44 -0.08 0.08 -0.04 1.64 1.15 2hm8A16 LEU 351 HD13 -0.42 -0.03 -0.02 -0.04 0.93 0.41 2hm8A16 LEU 351 HD23 -0.26 0.04 -0.11 -0.04 0.89 0.52 2hm8A16 LYS 352 H -0.04 0.24 -0.72 -0.55 8.42 7.35 2hm8A16 LYS 352 HA -0.02 0.07 0.46 -0.75 4.32 4.07 2hm8A16 LYS 352 HB2 -0.10 0.17 0.15 -0.04 1.87 2.04 2hm8A16 LYS 352 HB3 -0.10 -0.05 -0.03 -0.04 1.79 1.56 2hm8A16 LYS 352 HG2 -0.05 -0.02 0.02 -0.04 1.46 1.38 2hm8A16 LYS 352 HG3 -0.05 0.05 -0.01 -0.04 1.46 1.41 2hm8A16 LYS 352 HD2 -0.20 -0.01 -0.01 -0.04 1.69 1.43 2hm8A16 LYS 352 HD3 -0.08 -0.02 -0.02 -0.04 1.68 1.52 2hm8A16 LYS 352 HE2 -0.01 0.00 -0.08 -0.04 2.99 2.87 2hm8A16 LYS 352 HE3 0.05 -0.05 -0.20 -0.04 2.99 2.75 2hm8A16 GLU 353 H -0.02 0.40 -0.13 -0.55 8.60 8.30 2hm8A16 GLU 353 HA -0.03 -0.02 0.36 -0.75 4.29 3.85 2hm8A16 GLU 353 HB2 -0.01 -0.10 0.12 -0.04 2.09 2.07 2hm8A16 GLU 353 HB3 -0.01 0.06 0.23 -0.04 1.99 2.24 2hm8A16 GLU 353 HG2 0.02 0.06 -0.03 -0.04 2.34 2.35 2hm8A16 GLU 353 HG3 0.01 -0.12 -0.24 -0.04 2.34 1.95 2hm8A16 LEU 354 H 0.03 0.28 -0.61 -0.55 8.37 7.52 2hm8A16 LEU 354 HA 0.02 0.13 0.91 -0.75 4.35 4.66 2hm8A16 LEU 354 HB2 0.08 -0.13 -0.02 -0.04 1.64 1.53 2hm8A16 LEU 354 HB3 0.05 -0.01 -0.05 -0.04 1.64 1.59 2hm8A16 LEU 354 HG 0.09 0.36 0.11 -0.04 1.64 2.16 2hm8A16 LEU 354 HD13 0.27 -0.07 -0.04 -0.04 0.93 1.04 2hm8A16 LEU 354 HD23 0.06 -0.02 -0.10 -0.04 0.89 0.80 2hm8A16 GLU 355 H 0.01 0.12 0.05 -0.55 8.60 8.24 2hm8A16 GLU 355 HA 0.04 0.28 0.92 -0.75 4.29 4.77 2hm8A16 GLU 355 HB2 -0.02 -0.04 0.20 -0.04 2.09 2.19 2hm8A16 GLU 355 HB3 -0.02 -0.02 0.19 -0.04 1.99 2.09 2hm8A16 GLU 355 HG2 0.00 0.16 -0.12 -0.04 2.34 2.34 2hm8A16 GLU 355 HG3 -0.01 0.03 -0.14 -0.04 2.34 2.18 2hm8A16 VAL 356 H -0.02 0.28 -0.28 -0.55 8.24 7.67 2hm8A16 VAL 356 HA -0.10 0.27 0.94 -0.75 4.13 4.48 2hm8A16 VAL 356 HB 0.00 0.05 -0.03 -0.04 2.12 2.10 2hm8A16 VAL 356 HG13 0.09 0.01 0.02 -0.04 0.97 1.05 2hm8A16 VAL 356 HG23 0.05 -0.04 -0.18 -0.04 0.95 0.74 2hm8A16 PRO 357 HA -0.26 0.09 0.45 -0.51 4.44 4.21 2hm8A16 PRO 357 HB2 -0.26 0.01 0.06 -0.04 2.28 2.04 2hm8A16 PRO 357 HB3 -0.14 0.10 0.11 -0.04 2.02 2.04 2hm8A16 PRO 357 HG2 -0.53 0.01 0.02 -0.04 2.03 1.49 2hm8A16 PRO 357 HG3 -0.21 0.10 0.05 -0.04 2.03 1.94 2hm8A16 PRO 357 HD2 -0.17 0.14 0.27 -0.04 3.68 3.87 2hm8A16 PRO 357 HD3 -0.14 0.26 -0.24 -0.04 3.65 3.48 2hm8A16 HIS 358 H -0.10 0.12 -0.57 -0.55 8.41 7.32 2hm8A16 HIS 358 HA 0.10 0.20 0.85 -0.75 4.63 5.03 2hm8A16 HIS 358 HB2 0.02 0.01 0.12 -0.04 3.26 3.37 2hm8A16 HIS 358 HB3 0.06 0.03 0.17 -0.04 3.20 3.42 2hm8A16 HIS 358 HD2 -0.00 0.02 0.01 -0.04 6.97 6.96 2hm8A16 HIS 358 HE1 0.00 0.01 -0.05 -0.04 7.75 7.67 2hm8A16 PHE 359 H 0.15 0.08 -0.27 -0.55 8.34 7.74 2hm8A16 PHE 359 HA -0.10 0.11 0.41 -0.75 4.62 4.28 2hm8A16 PHE 359 HB2 -0.00 0.26 -0.09 -0.04 3.15 3.28 2hm8A16 PHE 359 HB3 -0.07 0.07 -0.11 -0.04 3.06 2.91 2hm8A16 PHE 359 HD2 -0.04 0.05 0.01 -0.04 7.28 7.25 2hm8A16 PHE 359 HE2 -0.00 0.05 -0.22 -0.04 7.38 7.17 2hm8A16 PHE 359 HZ 0.01 -0.02 -0.09 -0.04 7.32 7.17 2hm8A16 HIS 360 H -0.10 0.32 0.12 -0.55 8.41 8.21 2hm8A16 HIS 360 HA -0.25 0.06 0.39 -0.75 4.63 4.08 2hm8A16 HIS 360 HB2 0.01 0.02 0.11 -0.04 3.26 3.36 2hm8A16 HIS 360 HB3 -0.03 0.01 0.04 -0.04 3.20 3.17 2hm8A16 HIS 360 HD2 -0.06 -0.13 0.00 -0.04 6.97 6.74 2hm8A16 HIS 360 HE1 -0.01 0.14 -0.04 -0.04 7.75 7.79 2hm8A16 HIS 361 H 0.10 0.04 -0.51 -0.55 8.41 7.50 2hm8A16 HIS 361 HA 0.07 0.09 0.31 -0.75 4.63 4.35 2hm8A16 HIS 361 HB2 0.05 0.07 -0.00 -0.04 3.26 3.34 2hm8A16 HIS 361 HB3 0.07 0.01 0.05 -0.04 3.20 3.29 2hm8A16 HIS 361 HD2 0.12 -0.08 -0.20 -0.04 6.97 6.77 2hm8A16 HIS 361 HE1 0.04 0.03 -0.08 -0.04 7.75 7.69 2hm8A16 GLU 362 H -0.77 0.59 -0.36 -0.55 8.60 7.52 2hm8A16 GLU 362 HA -0.03 0.10 0.51 -0.75 4.29 4.12 2hm8A16 GLU 362 HB2 -0.51 0.03 0.10 -0.04 2.09 1.66 2hm8A16 GLU 362 HB3 -0.55 0.01 0.01 -0.04 1.99 1.42 2hm8A16 GLU 362 HG2 0.06 -0.06 0.08 -0.04 2.34 2.38 2hm8A16 GLU 362 HG3 0.03 0.04 0.02 -0.04 2.34 2.39 2hm8A16 LEU 363 H -0.28 0.28 -0.14 -0.55 8.37 7.68 2hm8A16 LEU 363 HA -0.13 0.02 0.36 -0.75 4.35 3.84 2hm8A16 LEU 363 HB2 -0.20 -0.05 0.13 -0.04 1.64 1.48 2hm8A16 LEU 363 HB3 -0.11 0.18 0.20 -0.04 1.64 1.87 2hm8A16 LEU 363 HG -0.09 -0.04 -0.04 -0.04 1.64 1.43 2hm8A16 LEU 363 HD13 -0.14 0.00 -0.01 -0.04 0.93 0.74 2hm8A16 LEU 363 HD23 -0.07 0.01 -0.22 -0.04 0.89 0.58 2hm8A16 VAL 364 H -0.01 0.40 -0.14 -0.55 8.24 7.94 2hm8A16 VAL 364 HA -0.01 0.04 0.34 -0.75 4.13 3.74 2hm8A16 VAL 364 HB 0.05 0.01 -0.02 -0.04 2.12 2.11 2hm8A16 VAL 364 HG13 0.10 0.00 -0.05 -0.04 0.97 0.98 2hm8A16 VAL 364 HG23 0.10 0.02 0.01 -0.04 0.95 1.05 2hm8A16 TYR 365 H 0.09 0.24 -0.47 -0.55 8.29 7.59 2hm8A16 TYR 365 HA -0.15 0.08 0.41 -0.75 4.56 4.14 2hm8A16 TYR 365 HB2 -0.03 0.08 0.16 -0.04 3.06 3.23 2hm8A16 TYR 365 HB3 -0.05 0.09 0.23 -0.04 2.98 3.22 2hm8A16 TYR 365 HD2 -0.06 0.07 -0.02 -0.04 7.15 7.09 2hm8A16 TYR 365 HE2 -0.03 0.00 -0.10 -0.04 6.85 6.68 2hm8A16 GLU 366 H 0.02 0.70 0.02 -0.55 8.60 8.79 2hm8A16 GLU 366 HA -0.28 0.02 0.39 -0.75 4.29 3.67 2hm8A16 GLU 366 HB2 -0.05 0.08 0.12 -0.04 2.09 2.19 2hm8A16 GLU 366 HB3 -0.06 -0.03 -0.01 -0.04 1.99 1.85 2hm8A16 GLU 366 HG2 0.15 0.01 0.06 -0.04 2.34 2.52 2hm8A16 GLU 366 HG3 0.02 -0.05 -0.02 -0.04 2.34 2.24 2hm8A16 ALA 367 H -0.11 0.54 -0.30 -0.55 8.40 7.98 2hm8A16 ALA 367 HA -0.10 0.01 0.41 -0.75 4.34 3.91 2hm8A16 ALA 367 HB3 -0.06 0.07 0.04 -0.04 1.41 1.42 2hm8A16 ILE 368 H -0.25 0.57 -0.15 -0.55 8.25 7.88 2hm8A16 ILE 368 HA -0.64 0.01 0.40 -0.75 4.18 3.20 2hm8A16 ILE 368 HB -0.40 0.10 0.19 -0.04 1.89 1.74 2hm8A16 ILE 368 HG12 -0.34 -0.05 -0.01 -0.04 1.49 1.05 2hm8A16 ILE 368 HG13 -0.25 0.08 0.09 -0.04 1.21 1.09 2hm8A16 ILE 368 HG23 -0.45 -0.02 -0.09 -0.04 0.93 0.33 2hm8A16 ILE 368 HD13 -0.74 -0.03 -0.13 -0.04 0.88 -0.06 2hm8A16 VAL 369 H -0.42 0.65 -0.04 -0.55 8.24 7.88 2hm8A16 VAL 369 HA -0.25 0.02 0.38 -0.75 4.13 3.53 2hm8A16 VAL 369 HB -0.26 -0.06 0.03 -0.04 2.12 1.80 2hm8A16 VAL 369 HG13 -0.73 0.02 0.03 -0.04 0.97 0.25 2hm8A16 VAL 369 HG23 -0.37 0.02 0.02 -0.04 0.95 0.57 2hm8A16 MET 370 H -0.23 0.40 -0.50 -0.55 8.47 7.59 2hm8A16 MET 370 HA -0.10 -0.00 0.35 -0.75 4.52 4.00 2hm8A16 MET 370 HB2 -0.13 0.21 0.25 -0.04 2.15 2.44 2hm8A16 MET 370 HB3 -0.08 -0.09 -0.03 -0.04 2.03 1.79 2hm8A16 MET 370 HG2 -0.07 -0.06 0.04 -0.04 2.63 2.50 2hm8A16 MET 370 HG3 -0.08 0.10 -0.02 -0.04 2.56 2.52 2hm8A16 MET 370 HE3 -0.02 -0.02 -0.06 -0.04 2.10 1.96 2hm8A16 VAL 371 H -0.20 0.44 -0.15 -0.55 8.24 7.77 2hm8A16 VAL 371 HA -0.04 -0.05 0.47 -0.75 4.13 3.76 2hm8A16 VAL 371 HB -0.11 -0.03 -0.19 -0.04 2.12 1.75 2hm8A16 VAL 371 HG13 -0.53 0.07 0.02 -0.04 0.97 0.49 2hm8A16 VAL 371 HG23 0.14 -0.05 -0.17 -0.04 0.95 0.83 2hm8A16 LEU 372 H -0.21 0.49 -0.15 -0.55 8.37 7.96 2hm8A16 LEU 372 HA -0.03 -0.01 0.32 -0.75 4.35 3.88 2hm8A16 LEU 372 HB2 -0.19 0.13 0.16 -0.04 1.64 1.69 2hm8A16 LEU 372 HB3 -0.07 -0.01 -0.03 -0.04 1.64 1.49 2hm8A16 LEU 372 HG -0.00 0.03 0.05 -0.04 1.64 1.68 2hm8A16 LEU 372 HD13 -0.12 -0.01 -0.11 -0.04 0.93 0.65 2hm8A16 LEU 372 HD23 -0.09 -0.02 -0.06 -0.04 0.89 0.68 2hm8A16 GLU 373 H -0.06 0.35 -0.54 -0.55 8.60 7.80 2hm8A16 GLU 373 HA 0.00 0.08 0.69 -0.75 4.29 4.31 2hm8A16 GLU 373 HB2 -0.02 -0.08 0.05 -0.04 2.09 2.00 2hm8A16 GLU 373 HB3 -0.03 -0.07 0.03 -0.04 1.99 1.88 2hm8A16 GLU 373 HG2 -0.07 0.19 0.11 -0.04 2.34 2.54 2hm8A16 GLU 373 HG3 -0.04 0.10 -0.00 -0.04 2.34 2.36 2hm8A16 SER 374 H -0.02 0.11 -0.22 -0.55 8.46 7.78 2hm8A16 SER 374 HA -0.01 0.01 0.49 -0.75 4.49 4.23 2hm8A16 SER 374 HB2 0.00 -0.16 0.15 -0.04 3.95 3.90 2hm8A16 SER 374 HB3 -0.01 0.19 0.22 -0.04 3.93 4.29 2hm8A16 THR 375 H -0.00 -0.04 0.20 -0.55 8.28 7.89 2hm8A16 THR 375 HA 0.02 0.30 0.86 -0.75 4.39 4.82 2hm8A16 THR 375 HB -0.06 0.09 -0.02 -0.04 4.32 4.29 2hm8A16 THR 375 HG23 -0.03 -0.02 0.01 -0.04 1.22 1.14 2hm8A16 GLY 376 H 0.01 -0.13 0.09 -0.55 8.43 7.85 2hm8A16 GLY 376 HA2 0.00 0.18 0.47 -0.51 4.01 4.16 2hm8A16 GLY 376 HA3 0.01 -0.14 0.45 -0.51 4.01 3.83 2hm8A16 GLU 377 H 0.03 -0.10 0.18 -0.55 8.60 8.17 2hm8A16 GLU 377 HA 0.07 0.15 0.39 -0.75 4.29 4.15 2hm8A16 GLU 377 HB2 0.01 -0.01 0.00 -0.04 2.09 2.05 2hm8A16 GLU 377 HB3 -0.02 0.32 0.11 -0.04 1.99 2.36 2hm8A16 GLU 377 HG2 -0.00 0.12 -0.27 -0.04 2.34 2.14 2hm8A16 GLU 377 HG3 0.01 -0.27 0.01 -0.04 2.34 2.05 2hm8A16 SER 378 H 0.03 0.11 0.20 -0.55 8.46 8.26 2hm8A16 SER 378 HA 0.03 0.14 0.39 -0.75 4.49 4.30 2hm8A16 SER 378 HB2 -0.00 -0.04 0.21 -0.04 3.95 4.08 2hm8A16 SER 378 HB3 -0.02 0.09 0.02 -0.04 3.93 3.99 2hm8A16 ALA 379 H 0.04 -0.01 -0.20 -0.55 8.40 7.69 2hm8A16 ALA 379 HA 0.01 0.14 0.44 -0.75 4.34 4.17 2hm8A16 ALA 379 HB3 0.01 0.03 0.00 -0.04 1.41 1.41 2hm8A16 PHE 380 H 0.21 0.04 -0.35 -0.55 8.34 7.69 2hm8A16 PHE 380 HA 0.12 0.06 0.37 -0.75 4.62 4.41 2hm8A16 PHE 380 HB2 0.07 0.01 0.01 -0.04 3.15 3.20 2hm8A16 PHE 380 HB3 0.08 0.12 0.15 -0.04 3.06 3.37 2hm8A16 PHE 380 HD2 0.11 0.02 -0.25 -0.04 7.28 7.12 2hm8A16 PHE 380 HE2 0.13 0.08 -0.06 -0.04 7.38 7.49 2hm8A16 PHE 380 HZ 0.12 0.09 -0.51 -0.04 7.32 6.98 2hm8A16 LYS 381 H 0.30 0.55 -0.05 -0.55 8.42 8.66 2hm8A16 LYS 381 HA 0.24 0.06 0.44 -0.75 4.32 4.31 2hm8A16 LYS 381 HB2 0.12 -0.00 0.03 -0.04 1.87 1.98 2hm8A16 LYS 381 HB3 0.18 0.01 0.06 -0.04 1.79 2.00 2hm8A16 LYS 381 HG2 0.12 0.08 0.12 -0.04 1.46 1.74 2hm8A16 LYS 381 HG3 0.08 0.07 -0.08 -0.04 1.46 1.49 2hm8A16 LYS 381 HD2 0.06 0.00 -0.03 -0.04 1.69 1.69 2hm8A16 LYS 381 HD3 0.05 -0.08 -0.10 -0.04 1.68 1.51 2hm8A16 LYS 381 HE2 0.01 -0.01 0.01 -0.04 2.99 2.97 2hm8A16 LYS 381 HE3 0.04 0.01 -0.04 -0.04 2.99 2.96 2hm8A16 MET 382 H 0.12 0.34 -0.37 -0.55 8.47 8.01 2hm8A16 MET 382 HA 0.17 0.05 0.41 -0.75 4.52 4.40 2hm8A16 MET 382 HB2 0.02 0.01 0.27 -0.04 2.15 2.41 2hm8A16 MET 382 HB3 0.04 -0.06 -0.08 -0.04 2.03 1.88 2hm8A16 MET 382 HG2 -0.48 -0.06 -0.05 -0.04 2.63 2.00 2hm8A16 MET 382 HG3 -0.07 -0.00 0.04 -0.04 2.56 2.48 2hm8A16 MET 382 HE3 -0.28 -0.00 -0.10 -0.04 2.10 1.67 2hm8A16 ILE 383 H 0.12 0.79 0.01 -0.55 8.25 8.62 2hm8A16 ILE 383 HA 0.14 -0.01 0.41 -0.75 4.18 3.96 2hm8A16 ILE 383 HB 0.00 0.08 0.14 -0.04 1.89 2.07 2hm8A16 ILE 383 HG12 0.02 0.12 0.15 -0.04 1.49 1.75 2hm8A16 ILE 383 HG13 -0.12 0.10 0.07 -0.04 1.21 1.22 2hm8A16 ILE 383 HG23 -0.04 -0.06 -0.26 -0.04 0.93 0.54 2hm8A16 ILE 383 HD13 0.02 -0.04 0.04 -0.04 0.88 0.86 2hm8A16 LEU 384 H 0.24 0.58 -0.08 -0.55 8.37 8.56 2hm8A16 LEU 384 HA -0.08 0.00 0.37 -0.75 4.35 3.89 2hm8A16 LEU 384 HB2 -0.19 0.32 0.20 -0.04 1.64 1.94 2hm8A16 LEU 384 HB3 -0.10 0.01 0.03 -0.04 1.64 1.53 2hm8A16 LEU 384 HG -1.50 -0.03 0.06 -0.04 1.64 0.13 2hm8A16 LEU 384 HD13 -0.62 0.03 0.01 -0.04 0.93 0.31 2hm8A16 LEU 384 HD23 -0.26 -0.02 -0.12 -0.04 0.89 0.44 2hm8A16 ASP 385 H 0.08 0.51 -0.28 -0.55 8.40 8.16 2hm8A16 ASP 385 HA 0.02 0.02 0.43 -0.75 4.63 4.35 2hm8A16 ASP 385 HB2 0.08 0.11 0.17 -0.04 2.71 3.03 2hm8A16 ASP 385 HB3 0.12 0.05 0.08 -0.04 2.70 2.91 2hm8A16 LEU 386 H 0.10 0.33 -0.55 -0.55 8.37 7.70 2hm8A16 LEU 386 HA -0.08 -0.02 0.50 -0.75 4.35 4.00 2hm8A16 LEU 386 HB2 -0.06 0.06 0.09 -0.04 1.64 1.69 2hm8A16 LEU 386 HB3 0.06 0.11 0.29 -0.04 1.64 2.05 2hm8A16 LEU 386 HG -0.08 -0.03 -0.32 -0.04 1.64 1.17 2hm8A16 LEU 386 HD13 -0.43 -0.02 -0.04 -0.04 0.93 0.39 2hm8A16 LEU 386 HD23 -0.04 -0.02 -0.09 -0.04 0.89 0.71 2hm8A16 LEU 387 H 0.06 0.79 0.08 -0.55 8.37 8.75 2hm8A16 LEU 387 HA 0.07 -0.02 0.42 -0.75 4.35 4.07 2hm8A16 LEU 387 HB2 0.14 -0.04 -0.01 -0.04 1.64 1.68 2hm8A16 LEU 387 HB3 0.10 -0.04 0.07 -0.04 1.64 1.72 2hm8A16 LEU 387 HG 0.07 0.21 0.25 -0.04 1.64 2.13 2hm8A16 LEU 387 HD13 -0.01 0.01 -0.07 -0.04 0.93 0.81 2hm8A16 LEU 387 HD23 0.30 -0.02 -0.17 -0.04 0.89 0.96 2hm8A16 LYS 388 H 0.02 0.56 -0.21 -0.55 8.42 8.24 2hm8A16 LYS 388 HA 0.01 0.00 0.35 -0.75 4.32 3.93 2hm8A16 LYS 388 HB2 -0.01 0.12 0.20 -0.04 1.87 2.14 2hm8A16 LYS 388 HB3 -0.00 -0.00 -0.05 -0.04 1.79 1.69 2hm8A16 LYS 388 HG2 -0.11 -0.05 0.03 -0.04 1.46 1.30 2hm8A16 LYS 388 HG3 -0.13 0.00 0.06 -0.04 1.46 1.36 2hm8A16 LYS 388 HD2 -0.12 -0.03 -0.05 -0.04 1.69 1.45 2hm8A16 LYS 388 HD3 -0.07 -0.01 -0.22 -0.04 1.68 1.34 2hm8A16 LYS 388 HE2 -0.02 -0.01 -0.03 -0.04 2.99 2.89 2hm8A16 LYS 388 HE3 -0.03 0.01 -0.02 -0.04 2.99 2.91 2hm8A16 SER 389 H 0.03 0.40 -0.37 -0.55 8.46 7.99 2hm8A16 SER 389 HA 0.05 0.07 0.45 -0.75 4.49 4.31 2hm8A16 SER 389 HB2 0.01 0.26 0.20 -0.04 3.95 4.38 2hm8A16 SER 389 HB3 0.00 -0.00 0.02 -0.04 3.93 3.91 2hm8A16 LEU 390 H 0.04 0.50 -0.07 -0.55 8.37 8.30 2hm8A16 LEU 390 HA 0.01 0.05 0.37 -0.75 4.35 4.03 2hm8A16 LEU 390 HB2 0.06 0.09 0.12 -0.04 1.64 1.86 2hm8A16 LEU 390 HB3 -0.01 -0.10 0.02 -0.04 1.64 1.51 2hm8A16 LEU 390 HG -0.04 0.23 0.11 -0.04 1.64 1.90 2hm8A16 LEU 390 HD13 -0.07 -0.04 -0.12 -0.04 0.93 0.66 2hm8A16 LEU 390 HD23 -0.06 -0.02 0.01 -0.04 0.89 0.78 2hm8A16 TRP 391 H 0.25 0.51 -0.51 -0.55 7.97 7.66 2hm8A16 TRP 391 HA -0.00 0.05 0.55 -0.75 4.62 4.46 2hm8A16 TRP 391 HB2 -0.00 0.19 0.13 -0.04 3.23 3.50 2hm8A16 TRP 391 HB3 -0.01 0.08 0.06 -0.04 3.23 3.32 2hm8A16 TRP 391 HD1 0.03 -0.14 0.01 -0.04 7.22 7.09 2hm8A16 TRP 391 HE1 0.03 -0.18 -0.03 -0.04 10.20 9.98 2hm8A16 TRP 391 HE3 -0.02 0.05 -0.14 -0.04 7.59 7.43 2hm8A16 TRP 391 HZ2 -0.01 -0.19 0.10 -0.04 7.44 7.30 2hm8A16 TRP 391 HZ3 -0.04 0.05 0.05 -0.04 7.13 7.16 2hm8A16 TRP 391 HH2 -0.03 -0.10 0.04 -0.04 7.19 7.05 2hm8A16 LYS 392 H 0.22 0.47 -0.02 -0.55 8.42 8.54 2hm8A16 LYS 392 HA 0.10 0.09 0.58 -0.75 4.32 4.33 2hm8A16 LYS 392 HB2 0.13 0.14 0.19 -0.04 1.87 2.29 2hm8A16 LYS 392 HB3 0.07 -0.02 0.05 -0.04 1.79 1.85 2hm8A16 LYS 392 HG2 0.08 -0.04 0.08 -0.04 1.46 1.54 2hm8A16 LYS 392 HG3 0.20 -0.01 0.05 -0.04 1.46 1.65 2hm8A16 LYS 392 HD2 0.14 0.03 -0.03 -0.04 1.69 1.78 2hm8A16 LYS 392 HD3 0.08 -0.01 0.02 -0.04 1.68 1.73 2hm8A16 LYS 392 HE2 0.05 -0.06 0.03 -0.04 2.99 2.96 2hm8A16 LYS 392 HE3 0.06 0.03 0.02 -0.04 2.99 3.07 2hm8A16 SER 393 H 0.04 0.18 -0.63 -0.55 8.46 7.50 2hm8A16 SER 393 HA -0.00 0.14 0.60 -0.75 4.49 4.48 2hm8A16 SER 393 HB2 0.00 -0.06 0.09 -0.04 3.95 3.95 2hm8A16 SER 393 HB3 -0.01 -0.04 0.10 -0.04 3.93 3.95 2hm8A16 SER 394 H -0.08 0.24 -0.69 -0.55 8.46 7.38 2hm8A16 SER 394 HA -0.16 0.01 0.20 -0.75 4.49 3.78 2hm8A16 SER 394 HB2 -0.05 0.03 -0.49 -0.04 3.95 3.39 2hm8A16 SER 394 HB3 -0.06 0.02 0.20 -0.04 3.93 4.06 2hm8A16 THR 395 H -0.08 0.27 -0.31 -0.55 8.28 7.62 2hm8A16 THR 395 HA -0.04 0.18 0.80 -0.75 4.39 4.58 2hm8A16 THR 395 HB -0.04 -0.02 0.08 -0.04 4.32 4.30 2hm8A16 THR 395 HG23 -0.07 -0.03 -0.03 -0.04 1.22 1.06 2hm8A16 ILE 396 H -0.10 0.57 0.05 -0.55 8.25 8.22 2hm8A16 ILE 396 HA -0.01 0.09 0.88 -0.75 4.18 4.39 2hm8A16 ILE 396 HB 0.15 0.05 -0.04 -0.04 1.89 2.00 2hm8A16 ILE 396 HG12 0.03 -0.01 -0.15 -0.04 1.49 1.32 2hm8A16 ILE 396 HG13 0.00 0.01 -0.26 -0.04 1.21 0.92 2hm8A16 ILE 396 HG23 0.24 0.00 -0.08 -0.04 0.93 1.05 2hm8A16 ILE 396 HD13 0.10 0.01 -0.06 -0.04 0.88 0.89 2hm8A16 THR 397 H -0.12 0.23 -0.06 -0.55 8.28 7.79 2hm8A16 THR 397 HA -0.48 0.20 0.32 -0.75 4.39 3.68 2hm8A16 THR 397 HB -0.14 -0.04 0.18 -0.04 4.32 4.28 2hm8A16 THR 397 HG23 -0.11 0.07 0.01 -0.04 1.22 1.15 2hm8A16 ILE 398 H -0.26 0.21 0.19 -0.55 8.25 7.84 2hm8A16 ILE 398 HA 0.48 0.19 0.47 -0.75 4.18 4.57 2hm8A16 ILE 398 HB 0.07 0.10 0.17 -0.04 1.89 2.18 2hm8A16 ILE 398 HG12 0.16 -0.01 -0.01 -0.04 1.49 1.59 2hm8A16 ILE 398 HG13 0.34 -0.06 0.18 -0.04 1.21 1.63 2hm8A16 ILE 398 HG23 0.03 -0.02 -0.02 -0.04 0.93 0.88 2hm8A16 ILE 398 HD13 0.39 0.02 0.06 -0.04 0.88 1.32 2hm8A16 ASP 399 H 0.01 0.05 -0.25 -0.55 8.40 7.66 2hm8A16 ASP 399 HA 0.09 0.15 0.49 -0.75 4.63 4.61 2hm8A16 ASP 399 HB2 0.03 -0.03 0.04 -0.04 2.71 2.72 2hm8A16 ASP 399 HB3 0.05 0.07 -0.01 -0.04 2.70 2.76 2hm8A16 GLN 400 H 0.06 0.06 -0.26 -0.55 8.47 7.78 2hm8A16 GLN 400 HA 0.13 0.05 0.35 -0.75 4.36 4.14 2hm8A16 GLN 400 HB2 0.06 0.06 0.05 -0.04 2.15 2.28 2hm8A16 GLN 400 HB3 0.14 0.04 -0.11 -0.04 2.02 2.05 2hm8A16 GLN 400 HG2 0.15 -0.04 0.00 -0.04 2.40 2.47 2hm8A16 GLN 400 HG3 0.12 0.01 0.06 -0.04 2.39 2.54 2hm8A16 GLN 400 HE21 0.01 0.11 0.13 -0.04 6.97 7.18 2hm8A16 GLN 400 HE22 0.08 0.13 0.27 -0.04 7.69 8.13 2hm8A16 MET 401 H 0.26 0.49 -0.21 -0.55 8.47 8.46 2hm8A16 MET 401 HA 0.27 0.01 0.39 -0.75 4.52 4.44 2hm8A16 MET 401 HB2 0.51 0.04 0.03 -0.04 2.15 2.70 2hm8A16 MET 401 HB3 0.60 0.10 0.06 -0.04 2.03 2.75 2hm8A16 MET 401 HG2 0.25 -0.02 -0.34 -0.04 2.63 2.47 2hm8A16 MET 401 HG3 0.47 -0.05 -0.04 -0.04 2.56 2.89 2hm8A16 MET 401 HE3 0.03 -0.00 -0.10 -0.04 2.10 1.99 2hm8A16 LYS 402 H 0.23 0.37 -0.32 -0.55 8.42 8.15 2hm8A16 LYS 402 HA 0.15 -0.02 0.35 -0.75 4.32 4.05 2hm8A16 LYS 402 HB2 0.13 0.06 0.18 -0.04 1.87 2.21 2hm8A16 LYS 402 HB3 0.12 0.04 0.22 -0.04 1.79 2.13 2hm8A16 LYS 402 HG2 0.08 -0.02 -0.03 -0.04 1.46 1.45 2hm8A16 LYS 402 HG3 0.09 0.02 -0.27 -0.04 1.46 1.26 2hm8A16 LYS 402 HD2 0.10 -0.02 0.04 -0.04 1.69 1.77 2hm8A16 LYS 402 HD3 0.09 -0.04 0.06 -0.04 1.68 1.75 2hm8A16 LYS 402 HE2 0.07 0.03 -0.04 -0.04 2.99 3.01 2hm8A16 LYS 402 HE3 0.07 0.00 -0.06 -0.04 2.99 2.96 2hm8A16 ARG 403 H 0.13 0.48 -0.43 -0.55 8.46 8.09 2hm8A16 ARG 403 HA 0.06 0.05 0.46 -0.75 4.34 4.16 2hm8A16 ARG 403 HB2 0.05 0.10 0.10 -0.04 1.90 2.11 2hm8A16 ARG 403 HB3 0.09 0.04 0.09 -0.04 1.80 1.99 2hm8A16 ARG 403 HG2 -0.13 -0.05 -0.08 -0.04 1.67 1.36 2hm8A16 ARG 403 HG3 -0.03 -0.01 0.04 -0.04 1.67 1.62 2hm8A16 ARG 403 HD2 -0.01 0.02 -0.02 -0.04 3.22 3.17 2hm8A16 ARG 403 HD3 -0.10 -0.04 -0.03 -0.04 3.22 3.00 2hm8A16 GLY 404 H 0.16 0.40 -0.08 -0.55 8.43 8.37 2hm8A16 GLY 404 HA2 0.11 0.05 0.43 -0.51 4.01 4.09 2hm8A16 GLY 404 HA3 0.12 -0.00 0.32 -0.51 4.01 3.94 2hm8A16 TYR 405 H 0.27 0.68 -0.07 -0.55 8.29 8.62 2hm8A16 TYR 405 HA -0.11 0.03 0.39 -0.75 4.56 4.12 2hm8A16 TYR 405 HB2 0.03 0.10 0.08 -0.04 3.06 3.23 2hm8A16 TYR 405 HB3 -0.04 0.03 -0.08 -0.04 2.98 2.85 2hm8A16 TYR 405 HD2 0.03 0.08 -0.05 -0.04 7.15 7.16 2hm8A16 TYR 405 HE2 0.10 -0.00 -0.08 -0.04 6.85 6.83 2hm8A16 GLU 406 H 0.13 0.47 -0.20 -0.55 8.60 8.45 2hm8A16 GLU 406 HA 0.12 0.03 0.34 -0.75 4.29 4.02 2hm8A16 GLU 406 HB2 0.08 0.19 0.21 -0.04 2.09 2.52 2hm8A16 GLU 406 HB3 0.06 -0.02 -0.05 -0.04 1.99 1.93 2hm8A16 GLU 406 HG2 0.15 -0.03 0.04 -0.04 2.34 2.47 2hm8A16 GLU 406 HG3 0.11 0.06 0.06 -0.04 2.34 2.53 2hm8A16 ARG 407 H 0.01 0.39 -0.53 -0.55 8.46 7.78 2hm8A16 ARG 407 HA -0.03 0.04 0.37 -0.75 4.34 3.96 2hm8A16 ARG 407 HB2 -0.05 0.25 0.18 -0.04 1.90 2.24 2hm8A16 ARG 407 HB3 -0.32 -0.09 -0.02 -0.04 1.80 1.33 2hm8A16 ARG 407 HG2 -0.08 0.06 0.01 -0.04 1.67 1.62 2hm8A16 ARG 407 HG3 -0.19 -0.07 -0.01 -0.04 1.67 1.35 2hm8A16 ARG 407 HD2 -0.16 -0.04 -0.02 -0.04 3.22 2.95 2hm8A16 ARG 407 HD3 -0.18 -0.03 0.03 -0.04 3.22 3.00 2hm8A16 ILE 408 H -0.09 0.47 -0.33 -0.55 8.25 7.75 2hm8A16 ILE 408 HA 0.11 -0.06 0.50 -0.75 4.18 3.97 2hm8A16 ILE 408 HB -0.62 0.20 0.19 -0.04 1.89 1.62 2hm8A16 ILE 408 HG12 -0.09 0.21 0.17 -0.04 1.49 1.75 2hm8A16 ILE 408 HG13 -0.33 -0.06 0.05 -0.04 1.21 0.82 2hm8A16 ILE 408 HG23 -0.08 -0.02 -0.09 -0.04 0.93 0.70 2hm8A16 ILE 408 HD13 -0.14 -0.03 0.03 -0.04 0.88 0.70 2hm8A16 TYR 409 H -0.36 0.35 -0.07 -0.55 8.29 7.67 2hm8A16 TYR 409 HA 0.09 0.09 0.46 -0.75 4.56 4.44 2hm8A16 TYR 409 HB2 0.07 0.03 -0.00 -0.04 3.06 3.12 2hm8A16 TYR 409 HB3 0.07 0.05 0.08 -0.04 2.98 3.14 2hm8A16 TYR 409 HD2 0.07 -0.02 -0.11 -0.04 7.15 7.05 2hm8A16 TYR 409 HE2 0.07 -0.05 -0.12 -0.04 6.85 6.71 2hm8A16 ASN 410 H 0.08 0.17 -0.54 -0.55 8.53 7.69 2hm8A16 ASN 410 HA 0.09 0.12 0.65 -0.75 4.76 4.86 2hm8A16 ASN 410 HB2 0.03 -0.02 0.09 -0.04 2.88 2.94 2hm8A16 ASN 410 HB3 0.03 -0.08 0.03 -0.04 2.79 2.73 2hm8A16 ASN 410 HD21 0.02 -0.08 -0.20 -0.04 7.03 6.74 2hm8A16 ASN 410 HD22 0.06 -0.08 -0.08 -0.04 7.74 7.59 2hm8A16 GLU 411 H 0.08 0.18 -0.35 -0.55 8.60 7.96 2hm8A16 GLU 411 HA 0.05 0.15 0.88 -0.75 4.29 4.62 2hm8A16 GLU 411 HB2 0.11 0.01 0.27 -0.04 2.09 2.44 2hm8A16 GLU 411 HB3 0.08 -0.12 0.04 -0.04 1.99 1.96 2hm8A16 GLU 411 HG2 -0.02 0.02 -0.11 -0.04 2.34 2.19 2hm8A16 GLU 411 HG3 -0.10 -0.11 0.01 -0.04 2.34 2.10 2hm8A16 ILE 412 H 0.12 0.12 0.22 -0.55 8.25 8.16 2hm8A16 ILE 412 HA 0.09 -0.14 0.37 -0.75 4.18 3.75 2hm8A16 ILE 412 HB 0.16 0.18 0.09 -0.04 1.89 2.28 2hm8A16 ILE 412 HG12 0.13 0.04 0.04 -0.04 1.49 1.66 2hm8A16 ILE 412 HG13 0.11 -0.26 -0.16 -0.04 1.21 0.86 2hm8A16 ILE 412 HG23 0.13 0.03 -0.30 -0.04 0.93 0.76 2hm8A16 ILE 412 HD13 0.28 0.01 -0.16 -0.04 0.88 0.97 2hm8A16 PRO 413 HA 0.05 0.24 0.43 -0.51 4.44 4.65 2hm8A16 PRO 413 HB2 0.04 0.01 0.14 -0.04 2.28 2.43 2hm8A16 PRO 413 HB3 0.05 0.12 0.07 -0.04 2.02 2.21 2hm8A16 PRO 413 HG2 0.05 -0.21 0.17 -0.04 2.03 2.00 2hm8A16 PRO 413 HG3 0.08 0.10 0.06 -0.04 2.03 2.23 2hm8A16 PRO 413 HD2 0.08 0.04 0.15 -0.04 3.68 3.91 2hm8A16 PRO 413 HD3 0.10 0.13 -0.10 -0.04 3.65 3.74 2hm8A16 ASP 414 H 0.04 0.16 0.13 -0.55 8.40 8.17 2hm8A16 ASP 414 HA 0.02 0.17 0.69 -0.75 4.63 4.76 2hm8A16 ASP 414 HB2 0.02 0.04 0.07 -0.04 2.71 2.80 2hm8A16 ASP 414 HB3 0.02 0.01 0.06 -0.04 2.70 2.75 2hm8A16 ILE 415 H 0.04 0.04 -0.25 -0.55 8.25 7.53 2hm8A16 ILE 415 HA 0.04 0.09 0.28 -0.75 4.18 3.83 2hm8A16 ILE 415 HB 0.08 0.03 -0.08 -0.04 1.89 1.88 2hm8A16 ILE 415 HG12 -0.02 0.06 0.01 -0.04 1.49 1.50 2hm8A16 ILE 415 HG13 0.02 -0.14 0.05 -0.04 1.21 1.10 2hm8A16 ILE 415 HG23 0.08 0.02 -0.09 -0.04 0.93 0.90 2hm8A16 ILE 415 HD13 -0.01 0.02 0.05 -0.04 0.88 0.90 2hm8A16 ASN 416 H 0.05 0.07 -0.73 -0.55 8.53 7.38 2hm8A16 ASN 416 HA 0.03 0.11 0.77 -0.75 4.76 4.92 2hm8A16 ASN 416 HB2 0.06 0.09 0.01 -0.04 2.88 3.00 2hm8A16 ASN 416 HB3 -0.02 0.05 -0.07 -0.04 2.79 2.71 2hm8A16 ASN 416 HD21 -0.24 0.06 0.08 -0.04 7.03 6.89 2hm8A16 ASN 416 HD22 -1.07 -0.04 0.01 -0.04 7.74 6.59 2hm8A16 LEU 417 H 0.02 0.09 0.00 -0.55 8.37 7.93 2hm8A16 LEU 417 HA -0.01 0.02 0.38 -0.75 4.35 4.00 2hm8A16 LEU 417 HB2 0.01 0.06 0.19 -0.04 1.64 1.86 2hm8A16 LEU 417 HB3 0.01 -0.09 0.19 -0.04 1.64 1.70 2hm8A16 LEU 417 HG 0.00 0.03 0.03 -0.04 1.64 1.67 2hm8A16 LEU 417 HD13 0.00 -0.01 0.03 -0.04 0.93 0.91 2hm8A16 LEU 417 HD23 0.01 -0.02 -0.08 -0.04 0.89 0.76 2hm8A16 ASP 418 H 0.02 0.43 -0.30 -0.55 8.40 8.01 2hm8A16 ASP 418 HA 0.01 -0.06 0.33 -0.75 4.63 4.15 2hm8A16 ASP 418 HB2 0.02 0.17 0.08 -0.04 2.71 2.94 2hm8A16 ASP 418 HB3 0.03 0.08 -0.02 -0.04 2.70 2.75 2hm8A16 VAL 419 H 0.02 -0.01 0.14 -0.55 8.24 7.85 2hm8A16 VAL 419 HA 0.03 0.11 0.39 -0.75 4.13 3.91 2hm8A16 VAL 419 HB 0.07 0.06 -0.00 -0.04 2.12 2.21 2hm8A16 VAL 419 HG13 0.01 -0.00 0.08 -0.04 0.97 1.01 2hm8A16 VAL 419 HG23 0.01 -0.02 0.01 -0.04 0.95 0.91 2hm8A16 PRO 420 HA 0.03 0.10 0.47 -0.51 4.44 4.53 2hm8A16 PRO 420 HB2 0.00 -0.00 0.22 -0.04 2.28 2.46 2hm8A16 PRO 420 HB3 -0.00 0.06 0.16 -0.04 2.02 2.20 2hm8A16 PRO 420 HG2 0.07 0.01 0.15 -0.04 2.03 2.22 2hm8A16 PRO 420 HG3 0.02 0.03 0.13 -0.04 2.03 2.17 2hm8A16 PRO 420 HD2 0.06 0.04 0.19 -0.04 3.68 3.93 2hm8A16 PRO 420 HD3 0.02 0.19 0.21 -0.04 3.65 4.03 2hm8A16 HIS 421 H 0.13 0.37 0.37 -0.55 8.41 8.74 2hm8A16 HIS 421 HA 0.05 0.12 0.69 -0.75 4.63 4.74 2hm8A16 HIS 421 HB2 0.02 -0.03 -0.28 -0.04 3.26 2.94 2hm8A16 HIS 421 HB3 0.03 0.09 -0.09 -0.04 3.20 3.18 2hm8A16 HIS 421 HD2 0.02 0.01 0.02 -0.04 6.97 6.97 2hm8A16 HIS 421 HE1 0.01 -0.03 0.01 -0.04 7.75 7.69 2hm8A16 SER 422 H 0.15 0.28 0.25 -0.55 8.46 8.59 2hm8A16 SER 422 HA 0.11 0.30 0.53 -0.75 4.49 4.68 2hm8A16 SER 422 HB2 0.15 0.09 0.15 -0.04 3.95 4.30 2hm8A16 SER 422 HB3 0.08 0.04 0.17 -0.04 3.93 4.18 2hm8A16 TYR 423 H 0.24 0.16 -0.10 -0.55 8.29 8.04 2hm8A16 TYR 423 HA 0.06 0.05 0.39 -0.75 4.56 4.32 2hm8A16 TYR 423 HB2 0.03 0.02 0.08 -0.04 3.06 3.15 2hm8A16 TYR 423 HB3 0.02 0.04 -0.11 -0.04 2.98 2.88 2hm8A16 TYR 423 HD2 0.04 -0.01 -0.06 -0.04 7.15 7.08 2hm8A16 TYR 423 HE2 0.04 0.01 -0.05 -0.04 6.85 6.81 2hm8A16 SER 424 H 0.12 0.19 -0.47 -0.55 8.46 7.75 2hm8A16 SER 424 HA 0.04 0.03 0.41 -0.75 4.49 4.22 2hm8A16 SER 424 HB2 -0.05 -0.03 0.09 -0.04 3.95 3.92 2hm8A16 SER 424 HB3 -0.01 0.08 -0.00 -0.04 3.93 3.96 2hm8A16 VAL 425 H 0.11 0.42 -0.31 -0.55 8.24 7.91 2hm8A16 VAL 425 HA 0.19 0.05 0.57 -0.75 4.13 4.18 2hm8A16 VAL 425 HB 0.11 0.04 0.14 -0.04 2.12 2.36 2hm8A16 VAL 425 HG13 0.27 0.00 -0.11 -0.04 0.97 1.09 2hm8A16 VAL 425 HG23 0.12 0.05 0.07 -0.04 0.95 1.15 2hm8A16 LEU 426 H 0.08 0.59 0.07 -0.55 8.37 8.57 2hm8A16 LEU 426 HA 0.11 -0.01 0.40 -0.75 4.35 4.10 2hm8A16 LEU 426 HB2 0.02 0.11 0.14 -0.04 1.64 1.87 2hm8A16 LEU 426 HB3 -0.05 0.09 0.08 -0.04 1.64 1.73 2hm8A16 LEU 426 HG 0.02 -0.05 0.01 -0.04 1.64 1.58 2hm8A16 LEU 426 HD13 0.12 0.01 -0.05 -0.04 0.93 0.97 2hm8A16 LEU 426 HD23 0.27 -0.02 -0.08 -0.04 0.89 1.02 2hm8A16 GLU 427 H 0.01 0.55 -0.09 -0.55 8.60 8.52 2hm8A16 GLU 427 HA 0.03 0.04 0.37 -0.75 4.29 3.98 2hm8A16 GLU 427 HB2 -0.01 -0.06 0.02 -0.04 2.09 2.00 2hm8A16 GLU 427 HB3 -0.07 0.19 0.14 -0.04 1.99 2.21 2hm8A16 GLU 427 HG2 0.01 -0.00 0.05 -0.04 2.34 2.36 2hm8A16 GLU 427 HG3 0.04 -0.08 -0.03 -0.04 2.34 2.23 2hm8A16 ARG 428 H 0.14 0.31 -0.46 -0.55 8.46 7.89 2hm8A16 ARG 428 HA 0.11 0.02 0.42 -0.75 4.34 4.13 2hm8A16 ARG 428 HB2 0.07 0.09 0.14 -0.04 1.90 2.15 2hm8A16 ARG 428 HB3 0.25 0.11 0.18 -0.04 1.80 2.30 2hm8A16 ARG 428 HG2 0.24 -0.05 -0.21 -0.04 1.67 1.60 2hm8A16 ARG 428 HG3 0.01 -0.04 0.02 -0.04 1.67 1.62 2hm8A16 ARG 428 HD2 -0.17 0.07 0.00 -0.04 3.22 3.08 2hm8A16 ARG 428 HD3 -0.88 -0.03 -0.05 -0.04 3.22 2.22 2hm8A16 PHE 429 H 0.43 0.71 -0.11 -0.55 8.34 8.81 2hm8A16 PHE 429 HA 0.05 -0.00 0.42 -0.75 4.62 4.33 2hm8A16 PHE 429 HB2 -0.03 0.14 0.11 -0.04 3.15 3.32 2hm8A16 PHE 429 HB3 0.01 0.06 0.11 -0.04 3.06 3.19 2hm8A16 PHE 429 HD2 -1.01 0.02 -0.07 -0.04 7.28 6.18 2hm8A16 PHE 429 HE2 -0.31 0.06 0.04 -0.04 7.38 7.12 2hm8A16 PHE 429 HZ -0.16 -0.07 -0.32 -0.04 7.32 6.73 2hm8A16 VAL 430 H 0.24 0.72 -0.13 -0.55 8.24 8.52 2hm8A16 VAL 430 HA 0.11 -0.01 0.45 -0.75 4.13 3.92 2hm8A16 VAL 430 HB 0.11 0.11 0.14 -0.04 2.12 2.44 2hm8A16 VAL 430 HG13 0.04 -0.01 -0.17 -0.04 0.97 0.78 2hm8A16 VAL 430 HG23 0.37 -0.01 -0.03 -0.04 0.95 1.24 2hm8A16 GLU 431 H 0.06 0.71 0.02 -0.55 8.60 8.85 2hm8A16 GLU 431 HA -0.01 -0.02 0.35 -0.75 4.29 3.86 2hm8A16 GLU 431 HB2 -0.04 -0.07 0.08 -0.04 2.09 2.01 2hm8A16 GLU 431 HB3 -0.01 0.10 0.14 -0.04 1.99 2.18 2hm8A16 GLU 431 HG2 0.07 0.12 0.22 -0.04 2.34 2.72 2hm8A16 GLU 431 HG3 0.03 -0.04 -0.25 -0.04 2.34 2.04 2hm8A16 GLU 432 H 0.04 0.29 -0.81 -0.55 8.60 7.58 2hm8A16 GLU 432 HA 0.02 0.04 0.50 -0.75 4.29 4.10 2hm8A16 GLU 432 HB2 0.00 0.19 0.19 -0.04 2.09 2.43 2hm8A16 GLU 432 HB3 -0.04 -0.10 -0.04 -0.04 1.99 1.77 2hm8A16 GLU 432 HG2 0.14 0.13 0.04 -0.04 2.34 2.60 2hm8A16 GLU 432 HG3 0.31 -0.08 -0.03 -0.04 2.34 2.49 2hm8A16 CYS 433 H -0.13 0.49 -0.06 -0.55 8.50 8.25 2hm8A16 CYS 433 HA -0.19 0.04 0.48 -0.75 4.58 4.16 2hm8A16 CYS 433 HB2 -0.18 0.17 0.19 -0.04 2.97 3.11 2hm8A16 CYS 433 HB3 -0.28 -0.14 0.02 -0.04 2.97 2.53 2hm8A16 PHE 434 H 0.06 0.48 -0.31 -0.55 8.34 8.02 2hm8A16 PHE 434 HA -0.15 0.06 0.40 -0.75 4.62 4.17 2hm8A16 PHE 434 HB2 -0.09 -0.00 0.02 -0.04 3.15 3.04 2hm8A16 PHE 434 HB3 -0.07 0.20 0.05 -0.04 3.06 3.20 2hm8A16 PHE 434 HD2 -0.07 0.03 -0.28 -0.04 7.28 6.92 2hm8A16 PHE 434 HE2 -0.04 -0.09 -0.14 -0.04 7.38 7.08 2hm8A16 PHE 434 HZ -0.03 -0.04 -0.03 -0.04 7.32 7.18 2hm8A16 GLN 435 H 0.09 0.32 -0.40 -0.55 8.47 7.93 2hm8A16 GLN 435 HA 0.06 0.07 0.50 -0.75 4.36 4.24 2hm8A16 GLN 435 HB2 0.03 0.17 0.14 -0.04 2.15 2.46 2hm8A16 GLN 435 HB3 0.02 -0.03 0.00 -0.04 2.02 1.97 2hm8A16 GLN 435 HG2 0.06 -0.04 0.03 -0.04 2.40 2.41 2hm8A16 GLN 435 HG3 0.16 -0.04 -0.01 -0.04 2.39 2.46 2hm8A16 GLN 435 HE21 0.04 -0.06 0.00 -0.04 6.97 6.92 2hm8A16 GLN 435 HE22 0.01 -0.04 -0.02 -0.04 7.69 7.60 2hm8A16 ALA 436 H -0.08 0.21 -0.29 -0.55 8.40 7.68 2hm8A16 ALA 436 HA -0.06 0.05 0.42 -0.75 4.34 3.99 2hm8A16 ALA 436 HB3 -0.12 -0.01 0.11 -0.04 1.41 1.35 2hm8A16 GLY 437 H -0.21 0.25 -0.44 -0.55 8.43 7.48 2hm8A16 GLY 437 HA2 -0.25 0.07 0.23 -0.51 4.01 3.55 2hm8A16 GLY 437 HA3 -0.12 0.14 0.61 -0.51 4.01 4.13 2hm8A16 ILE 438 H -0.37 0.20 0.04 -0.55 8.25 7.57 2hm8A16 ILE 438 HA -1.00 0.22 0.81 -0.75 4.18 3.45 2hm8A16 ILE 438 HB -1.70 -0.05 -0.01 -0.04 1.89 0.09 2hm8A16 ILE 438 HG12 -0.37 0.13 0.09 -0.04 1.49 1.30 2hm8A16 ILE 438 HG13 -0.55 -0.04 -0.11 -0.04 1.21 0.47 2hm8A16 ILE 438 HG23 -0.20 0.03 -0.13 -0.04 0.93 0.59 2hm8A16 ILE 438 HD13 -0.31 -0.01 -0.03 -0.04 0.88 0.49 2hm8A16 ILE 439 H -0.46 0.15 0.04 -0.55 8.25 7.42 2hm8A16 ILE 439 HA -0.35 0.14 0.92 -0.75 4.18 4.14 2hm8A16 ILE 439 HB -0.24 -0.04 -0.00 -0.04 1.89 1.56 2hm8A16 ILE 439 HG12 -0.26 -0.03 -0.39 -0.04 1.49 0.77 2hm8A16 ILE 439 HG13 -0.12 0.05 -0.19 -0.04 1.21 0.91 2hm8A16 ILE 439 HG23 -0.51 0.03 -0.26 -0.04 0.93 0.15 2hm8A16 ILE 439 HD13 -0.12 0.02 -0.10 -0.04 0.88 0.64 2hm8A16 SER 440 H -0.11 0.07 0.12 -0.55 8.46 7.99 2hm8A16 SER 440 HA -0.22 0.30 0.65 -0.75 4.49 4.46 2hm8A16 SER 440 HB2 -0.01 -0.04 0.12 -0.04 3.95 3.98 2hm8A16 SER 440 HB3 -0.01 -0.12 0.19 -0.04 3.93 3.96 2hm8A16 LYS 441 H 0.06 0.22 0.15 -0.55 8.42 8.30 2hm8A16 LYS 441 HA 0.33 0.15 0.39 -0.75 4.32 4.43 2hm8A16 LYS 441 HB2 0.08 0.00 0.03 -0.04 1.87 1.94 2hm8A16 LYS 441 HB3 0.10 0.08 0.07 -0.04 1.79 1.99 2hm8A16 LYS 441 HG2 0.33 -0.01 0.07 -0.04 1.46 1.82 2hm8A16 LYS 441 HG3 0.11 0.01 0.08 -0.04 1.46 1.61 2hm8A16 LYS 441 HD2 0.08 0.01 0.01 -0.04 1.69 1.76 2hm8A16 LYS 441 HD3 0.19 0.03 0.01 -0.04 1.68 1.87 2hm8A16 LYS 441 HE2 0.27 0.04 0.00 -0.04 2.99 3.26 2hm8A16 LYS 441 HE3 0.11 -0.02 0.02 -0.04 2.99 3.05 2hm8A16 GLN 442 H 0.04 0.02 -0.30 -0.55 8.47 7.69 2hm8A16 GLN 442 HA 0.03 0.14 0.34 -0.75 4.36 4.11 2hm8A16 GLN 442 HB2 0.03 -0.02 0.08 -0.04 2.15 2.20 2hm8A16 GLN 442 HB3 0.03 -0.03 0.02 -0.04 2.02 2.00 2hm8A16 GLN 442 HG2 0.04 0.05 -0.07 -0.04 2.40 2.38 2hm8A16 GLN 442 HG3 0.03 0.03 0.01 -0.04 2.39 2.41 2hm8A16 GLN 442 HE21 0.03 0.03 -0.03 -0.04 6.97 6.96 2hm8A16 GLN 442 HE22 0.04 0.01 -0.03 -0.04 7.69 7.66 2hm8A16 LEU 443 H 0.02 0.07 -0.19 -0.55 8.37 7.72 2hm8A16 LEU 443 HA 0.06 0.10 0.37 -0.75 4.35 4.13 2hm8A16 LEU 443 HB2 -0.06 -0.10 0.09 -0.04 1.64 1.53 2hm8A16 LEU 443 HB3 -0.11 0.09 -0.08 -0.04 1.64 1.51 2hm8A16 LEU 443 HG -0.07 0.04 -0.06 -0.04 1.64 1.51 2hm8A16 LEU 443 HD13 0.08 -0.00 -0.00 -0.04 0.93 0.97 2hm8A16 LEU 443 HD23 -0.54 -0.00 -0.08 -0.04 0.89 0.23 2hm8A16 ARG 444 H 0.06 0.25 -0.34 -0.55 8.46 7.88 2hm8A16 ARG 444 HA 0.01 0.03 0.31 -0.75 4.34 3.93 2hm8A16 ARG 444 HB2 0.20 0.05 0.03 -0.04 1.90 2.13 2hm8A16 ARG 444 HB3 -0.03 0.07 -0.04 -0.04 1.80 1.76 2hm8A16 ARG 444 HG2 -0.07 0.01 -0.02 -0.04 1.67 1.55 2hm8A16 ARG 444 HG3 -0.03 -0.02 -0.09 -0.04 1.67 1.49 2hm8A16 ARG 444 HD2 -0.45 -0.01 -0.04 -0.04 3.22 2.68 2hm8A16 ARG 444 HD3 -0.64 -0.03 -0.06 -0.04 3.22 2.45 2hm8A16 ASP 445 H 0.01 0.48 -0.30 -0.55 8.40 8.03 2hm8A16 ASP 445 HA -0.05 0.04 0.41 -0.75 4.63 4.29 2hm8A16 ASP 445 HB2 -0.00 -0.01 0.09 -0.04 2.71 2.75 2hm8A16 ASP 445 HB3 -0.00 0.09 0.09 -0.04 2.70 2.83 2hm8A16 LEU 446 H -0.02 0.24 -0.33 -0.55 8.37 7.72 2hm8A16 LEU 446 HA -0.09 0.02 0.39 -0.75 4.35 3.91 2hm8A16 LEU 446 HB2 0.07 0.06 0.15 -0.04 1.64 1.87 2hm8A16 LEU 446 HB3 0.00 -0.05 -0.06 -0.04 1.64 1.50 2hm8A16 LEU 446 HG 0.13 -0.08 -0.02 -0.04 1.64 1.62 2hm8A16 LEU 446 HD13 0.04 0.00 0.00 -0.04 0.93 0.93 2hm8A16 LEU 446 HD23 0.03 -0.02 -0.07 -0.04 0.89 0.80 2hm8A16 CYS 447 H -0.14 0.20 -0.49 -0.55 8.50 7.52 2hm8A16 CYS 447 HA -0.79 0.02 0.45 -0.75 4.58 3.51 2hm8A16 CYS 447 HB2 0.08 -0.11 0.01 -0.04 2.97 2.92 2hm8A16 CYS 447 HB3 -0.06 0.17 0.09 -0.04 2.97 3.13 2hm8A16 PRO 448 HA -0.08 0.06 0.42 -0.51 4.44 4.32 2hm8A16 PRO 448 HB2 0.05 -0.00 -0.03 -0.04 2.28 2.25 2hm8A16 PRO 448 HB3 0.04 0.05 0.09 -0.04 2.02 2.16 2hm8A16 PRO 448 HG2 -0.71 -0.03 0.11 -0.04 2.03 1.36 2hm8A16 PRO 448 HG3 -0.30 0.03 0.07 -0.04 2.03 1.79 2hm8A16 PRO 448 HD2 -0.28 -0.02 0.18 -0.04 3.68 3.52 2hm8A16 PRO 448 HD3 -0.51 0.23 0.23 -0.04 3.65 3.56 2hm8A16 SER 449 H -0.03 0.19 0.09 -0.55 8.46 8.16 2hm8A16 SER 449 HA -0.01 0.09 0.27 -0.75 4.49 4.08 2hm8A16 SER 449 HB2 -0.06 0.12 -0.22 -0.04 3.95 3.75 2hm8A16 SER 449 HB3 -0.04 -0.05 0.02 -0.04 3.93 3.82