============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 5 1.000 7.372 15.450 37.107 -99.200 -91.000 HIS 18 0.900 5.367 18.768 59.069 -99.200 -91.000 TYR 20 0.840 0.513 22.395 56.030 -99.200 -91.000 TYR 23 0.840 -2.730 18.064 44.449 -99.200 -91.000 PHE 24 1.000 5.765 16.252 41.378 -99.200 -91.000 PHE 56 1.000 9.652 21.449 52.288 -99.200 -91.000 HIS 66 0.900 4.463 38.271 44.806 -99.200 -91.000 HIS 73 0.900 13.726 17.591 48.328 -99.200 -91.000 TYR 78 0.840 12.969 20.460 43.195 -99.200 -91.000 PHE 83 1.000 -3.304 24.003 46.260 -99.200 -91.000 PHE 91 1.000 -1.805 33.794 50.270 -99.200 -91.000 PHE 104 1.000 -2.075 31.066 27.432 -99.200 -91.000 TYR 114 0.840 -0.377 8.446 46.285 -99.200 -91.000 PHE 121 1.000 -10.197 24.158 34.860 -99.200 -91.000 PHE 142 1.000 -5.620 36.859 25.702 -99.200 -91.000 PHE 155 1.000 3.660 29.100 27.034 -99.200 -91.000 PHE 161 1.000 1.315 22.367 22.069 -99.200 -91.000 HIS 180 0.900 -3.041 50.302 29.777 -99.200 -91.000 PHE 198 1.000 8.095 24.165 16.016 -99.200 -91.000 TYR 214 0.840 -1.133 47.808 20.188 -99.200 -91.000 TYR 231 0.840 15.789 36.841 7.936 -99.200 -91.000 TRP 233 1.040 14.018 33.705 12.953 -99.200 -91.000 TRP6 233 1.020 14.427 35.796 13.940 -99.200 -91.000 TRP 235 1.040 24.178 27.400 13.870 -99.200 -91.000 TRP6 235 1.020 24.586 25.437 15.171 -99.200 -91.000 TRP 243 1.040 17.818 40.877 21.700 -99.200 -91.000 TRP6 243 1.020 15.690 41.852 21.492 -99.200 -91.000 HIS 248 0.900 20.140 41.279 7.658 -99.200 -91.000 PHE 258 1.000 14.297 47.307 17.405 -99.200 -91.000 TRP 262 1.040 12.917 45.553 21.725 -99.200 -91.000 TRP6 262 1.020 11.107 44.106 22.058 -99.200 -91.000 TRP 288 1.040 34.888 37.677 8.606 -99.200 -91.000 TRP6 288 1.020 34.746 39.091 10.485 -99.200 -91.000 PHE 294 1.000 44.501 42.691 16.952 -99.200 -91.000 PHE 311 1.000 19.919 37.973 4.489 -99.200 -91.000 TRP 319 1.040 31.806 30.227 5.381 -99.200 -91.000 TRP6 319 1.020 33.627 30.619 3.914 -99.200 -91.000 HIS 320 0.900 30.494 29.472 13.141 -99.200 -91.000 PHE 327 1.000 41.415 35.525 17.588 -99.200 -91.000 TRP 348 1.040 61.957 53.614 20.281 -99.200 -91.000 TRP6 348 1.020 60.713 51.789 19.484 -99.200 -91.000 TRP 356 1.040 52.862 61.809 18.889 -99.200 -91.000 TRP6 356 1.020 54.477 60.136 18.463 -99.200 -91.000 TRP 365 1.040 46.070 47.722 15.991 -99.200 -91.000 TRP6 365 1.020 44.814 46.533 14.411 -99.200 -91.000 TYR 381 0.840 64.522 52.777 16.590 -99.200 -91.000 TRP 383 1.040 56.781 48.932 9.859 -99.200 -91.000 TRP6 383 1.020 55.064 50.270 10.747 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1miyA1 MET 1 HA 0.00 -0.12 0.17 -0.75 4.52 3.82 1miyA1 MET 1 HB2 0.05 0.04 0.00 -0.04 2.15 2.19 1miyA1 MET 1 HB3 0.06 -0.03 -0.02 -0.04 2.03 2.00 1miyA1 MET 1 HG2 0.09 0.03 -0.12 -0.04 2.63 2.59 1miyA1 MET 1 HG3 0.11 -0.05 -0.27 -0.04 2.56 2.31 1miyA1 MET 1 HE3 0.15 -0.00 -0.21 -0.04 2.10 2.00 1miyA1 LYS 2 H 0.04 0.07 0.06 -0.55 8.42 8.03 1miyA1 LYS 2 HA 0.08 0.22 0.74 -0.75 4.32 4.60 1miyA1 LYS 2 HB2 0.34 -0.13 0.13 -0.04 1.87 2.17 1miyA1 LYS 2 HB3 0.13 0.05 0.09 -0.04 1.79 2.02 1miyA1 LYS 2 HG2 0.05 -0.00 0.03 -0.04 1.46 1.50 1miyA1 LYS 2 HG3 0.10 0.02 0.05 -0.04 1.46 1.60 1miyA1 LYS 2 HD2 0.07 -0.01 0.06 -0.04 1.69 1.76 1miyA1 LYS 2 HD3 0.05 0.03 0.02 -0.04 1.68 1.74 1miyA1 LYS 2 HE2 0.04 0.00 0.01 -0.04 2.99 3.00 1miyA1 LYS 2 HE3 0.06 0.03 0.03 -0.04 2.99 3.07 1miyA1 PRO 3 HA 0.06 -0.01 0.38 -0.51 4.44 4.35 1miyA1 PRO 3 HB2 0.02 0.06 0.03 -0.04 2.28 2.35 1miyA1 PRO 3 HB3 0.03 0.01 0.08 -0.04 2.02 2.09 1miyA1 PRO 3 HG2 0.03 0.05 0.10 -0.04 2.03 2.16 1miyA1 PRO 3 HG3 0.03 0.05 0.11 -0.04 2.03 2.18 1miyA1 PRO 3 HD2 0.05 0.10 0.24 -0.04 3.68 4.02 1miyA1 PRO 3 HD3 0.05 0.27 0.28 -0.04 3.65 4.21 1miyA1 PRO 4 HA -0.10 0.09 0.44 -0.51 4.44 4.36 1miyA1 PRO 4 HB2 -0.54 -0.07 0.03 -0.04 2.28 1.67 1miyA1 PRO 4 HB3 -0.39 0.08 0.01 -0.04 2.02 1.68 1miyA1 PRO 4 HG2 -0.01 0.07 0.03 -0.04 2.03 2.07 1miyA1 PRO 4 HG3 -0.07 0.11 0.06 -0.04 2.03 2.09 1miyA1 PRO 4 HD2 0.08 -0.06 -0.29 -0.04 3.68 3.36 1miyA1 PRO 4 HD3 0.01 0.15 0.02 -0.04 3.65 3.79 1miyA1 PHE 5 H 0.12 0.32 -0.16 -0.55 8.34 8.06 1miyA1 PHE 5 HA -0.25 0.02 0.24 -0.75 4.62 3.87 1miyA1 PHE 5 HB2 -0.20 0.10 -0.06 -0.04 3.15 2.95 1miyA1 PHE 5 HB3 -0.78 -0.03 -0.11 -0.04 3.06 2.11 1miyA1 PHE 5 HD2 -1.57 0.02 -0.03 -0.04 7.28 5.66 1miyA1 PHE 5 HE2 -0.21 -0.01 -0.10 -0.04 7.38 7.02 1miyA1 PHE 5 HZ -0.10 0.27 -0.25 -0.04 7.32 7.20 1miyA1 GLN 6 H 0.14 0.56 -0.21 -0.55 8.47 8.42 1miyA1 GLN 6 HA 0.12 0.04 0.31 -0.75 4.36 4.08 1miyA1 GLN 6 HB2 0.08 0.07 -0.26 -0.04 2.15 2.01 1miyA1 GLN 6 HB3 0.06 0.03 0.11 -0.04 2.02 2.19 1miyA1 GLN 6 HG2 0.05 0.01 -0.06 -0.04 2.40 2.35 1miyA1 GLN 6 HG3 0.06 -0.04 -0.19 -0.04 2.39 2.18 1miyA1 GLN 6 HE21 0.06 0.03 -0.03 -0.04 6.97 6.99 1miyA1 GLN 6 HE22 0.07 -0.07 -0.02 -0.04 7.69 7.64 1miyA1 GLU 7 H 0.07 0.45 -0.06 -0.55 8.60 8.51 1miyA1 GLU 7 HA 0.06 0.03 0.41 -0.75 4.29 4.03 1miyA1 GLU 7 HB2 0.13 0.05 -0.03 -0.04 2.09 2.20 1miyA1 GLU 7 HB3 0.02 -0.02 0.05 -0.04 1.99 2.00 1miyA1 GLU 7 HG2 0.02 -0.02 0.03 -0.04 2.34 2.33 1miyA1 GLU 7 HG3 0.05 -0.02 0.11 -0.04 2.34 2.43 1miyA1 ALA 8 H 0.08 0.24 -0.52 -0.55 8.40 7.66 1miyA1 ALA 8 HA -0.31 -0.01 0.32 -0.75 4.34 3.59 1miyA1 ALA 8 HB3 -0.02 -0.00 0.03 -0.04 1.41 1.38 1miyA1 LEU 9 H 0.17 0.52 -0.49 -0.55 8.37 8.02 1miyA1 LEU 9 HA 0.16 -0.05 0.38 -0.75 4.35 4.09 1miyA1 LEU 9 HB2 0.17 0.21 0.17 -0.04 1.64 2.15 1miyA1 LEU 9 HB3 0.09 -0.03 0.02 -0.04 1.64 1.68 1miyA1 LEU 9 HG -0.00 -0.11 -0.03 -0.04 1.64 1.46 1miyA1 LEU 9 HD13 0.06 -0.02 0.06 -0.04 0.93 0.98 1miyA1 LEU 9 HD23 0.07 0.03 -0.01 -0.04 0.89 0.94 1miyA1 GLY 10 H 0.14 0.37 -0.18 -0.55 8.43 8.21 1miyA1 GLY 10 HA2 0.02 -0.01 0.42 -0.51 4.01 3.94 1miyA1 GLY 10 HA3 0.11 0.11 0.24 -0.51 4.01 3.95 1miyA1 ILE 11 H -0.31 0.24 -0.27 -0.55 8.25 7.35 1miyA1 ILE 11 HA -0.13 0.03 0.21 -0.75 4.18 3.54 1miyA1 ILE 11 HB -0.25 0.10 -0.00 -0.04 1.89 1.70 1miyA1 ILE 11 HG12 -0.44 0.00 0.03 -0.04 1.49 1.04 1miyA1 ILE 11 HG13 -0.56 -0.01 -0.01 -0.04 1.21 0.58 1miyA1 ILE 11 HG23 -0.38 -0.01 -0.17 -0.04 0.93 0.32 1miyA1 ILE 11 HD13 -0.54 -0.01 -0.05 -0.04 0.88 0.24 1miyA1 ILE 12 H -0.17 0.31 -0.42 -0.55 8.25 7.42 1miyA1 ILE 12 HA -0.16 -0.03 0.18 -0.75 4.18 3.41 1miyA1 ILE 12 HB -0.22 0.07 0.12 -0.04 1.89 1.82 1miyA1 ILE 12 HG12 -0.37 -0.03 -0.04 -0.04 1.49 1.02 1miyA1 ILE 12 HG13 -0.33 0.12 0.08 -0.04 1.21 1.03 1miyA1 ILE 12 HG23 -0.32 -0.07 -0.09 -0.04 0.93 0.40 1miyA1 ILE 12 HD13 -1.29 -0.04 -0.20 -0.04 0.88 -0.69 1miyA1 GLN 13 H -0.09 0.58 0.06 -0.55 8.47 8.47 1miyA1 GLN 13 HA -0.08 -0.06 0.32 -0.75 4.36 3.78 1miyA1 GLN 13 HB2 -0.03 0.12 0.20 -0.04 2.15 2.40 1miyA1 GLN 13 HB3 -0.02 -0.01 0.03 -0.04 2.02 1.98 1miyA1 GLN 13 HG2 -0.04 -0.03 0.02 -0.04 2.40 2.31 1miyA1 GLN 13 HG3 -0.09 -0.04 0.06 -0.04 2.39 2.27 1miyA1 GLN 13 HE21 -0.01 0.02 -0.03 -0.04 6.97 6.90 1miyA1 GLN 13 HE22 -0.08 -0.01 -0.01 -0.04 7.69 7.55 1miyA1 GLN 14 H -0.02 0.62 -0.04 -0.55 8.47 8.49 1miyA1 GLN 14 HA 0.00 -0.02 0.45 -0.75 4.36 4.04 1miyA1 GLN 14 HB2 -0.06 0.11 -0.00 -0.04 2.15 2.16 1miyA1 GLN 14 HB3 -0.34 0.03 -0.04 -0.04 2.02 1.63 1miyA1 GLN 14 HG2 -0.03 -0.02 0.03 -0.04 2.40 2.34 1miyA1 GLN 14 HG3 -0.02 -0.05 0.01 -0.04 2.39 2.29 1miyA1 GLN 14 HE21 0.04 -0.00 -0.02 -0.04 6.97 6.96 1miyA1 GLN 14 HE22 0.04 -0.05 -0.03 -0.04 7.69 7.61 1miyA1 LEU 15 H 0.00 0.54 -0.36 -0.55 8.37 8.01 1miyA1 LEU 15 HA 0.00 0.06 0.38 -0.75 4.35 4.04 1miyA1 LEU 15 HB2 -0.01 0.24 0.14 -0.04 1.64 1.97 1miyA1 LEU 15 HB3 -0.01 -0.17 -0.17 -0.04 1.64 1.25 1miyA1 LEU 15 HG 0.22 0.06 -0.08 -0.04 1.64 1.80 1miyA1 LEU 15 HD13 -0.05 -0.02 -0.22 -0.04 0.93 0.60 1miyA1 LEU 15 HD23 -0.16 -0.02 -0.11 -0.04 0.89 0.56 1miyA1 LYS 16 H -0.01 0.52 -0.09 -0.55 8.42 8.27 1miyA1 LYS 16 HA 0.01 -0.30 0.65 -0.75 4.32 3.92 1miyA1 LYS 16 HB2 -0.06 0.14 0.15 -0.04 1.87 2.06 1miyA1 LYS 16 HB3 -0.03 0.02 -0.01 -0.04 1.79 1.74 1miyA1 LYS 16 HG2 -0.05 -0.13 0.13 -0.04 1.46 1.36 1miyA1 LYS 16 HG3 -0.12 -0.01 0.02 -0.04 1.46 1.31 1miyA1 LYS 16 HD2 -0.12 0.02 0.01 -0.04 1.69 1.56 1miyA1 LYS 16 HD3 -0.01 0.05 0.02 -0.04 1.68 1.69 1miyA1 LYS 16 HE2 -0.02 0.01 0.06 -0.04 2.99 2.99 1miyA1 LYS 16 HE3 -0.16 -0.03 0.10 -0.04 2.99 2.86 1miyA1 GLN 17 H 0.03 0.58 0.01 -0.55 8.47 8.54 1miyA1 GLN 17 HA -0.02 0.02 0.38 -0.75 4.36 3.99 1miyA1 GLN 17 HB2 0.04 0.09 0.15 -0.04 2.15 2.39 1miyA1 GLN 17 HB3 -0.04 0.00 -0.02 -0.04 2.02 1.92 1miyA1 GLN 17 HG2 -0.02 -0.02 0.03 -0.04 2.40 2.35 1miyA1 GLN 17 HG3 -0.01 -0.03 0.03 -0.04 2.39 2.33 1miyA1 GLN 17 HE21 -0.00 -0.02 -0.06 -0.04 6.97 6.85 1miyA1 GLN 17 HE22 -0.01 -0.02 -0.04 -0.04 7.69 7.58 1miyA1 HIS 18 H 0.22 0.40 -0.22 -0.55 8.41 8.27 1miyA1 HIS 18 HA -0.05 0.08 0.58 -0.75 4.63 4.48 1miyA1 HIS 18 HB2 0.16 0.08 0.03 -0.04 3.26 3.50 1miyA1 HIS 18 HB3 0.15 -0.03 0.15 -0.04 3.20 3.42 1miyA1 HIS 18 HD2 -0.08 0.10 0.08 -0.04 6.97 7.02 1miyA1 HIS 18 HE1 -0.05 -0.00 -0.02 -0.04 7.75 7.63 1miyA1 GLY 19 H -0.03 0.26 -1.04 -0.55 8.43 7.08 1miyA1 GLY 19 HA2 -0.07 0.04 0.31 -0.51 4.01 3.78 1miyA1 GLY 19 HA3 -0.16 -0.03 0.28 -0.51 4.01 3.59 1miyA1 TYR 20 H 0.06 0.16 0.16 -0.55 8.29 8.12 1miyA1 TYR 20 HA -0.02 0.25 1.18 -0.75 4.56 5.21 1miyA1 TYR 20 HB2 -0.05 0.50 0.08 -0.04 3.06 3.55 1miyA1 TYR 20 HB3 -0.08 -0.21 -0.07 -0.04 2.98 2.58 1miyA1 TYR 20 HD2 -0.04 -0.03 -0.11 -0.04 7.15 6.94 1miyA1 TYR 20 HE2 -0.03 -0.04 0.01 -0.04 6.85 6.75 1miyA1 ASP 21 H 0.04 0.04 0.02 -0.55 8.40 7.95 1miyA1 ASP 21 HA -0.07 -0.06 0.42 -0.75 4.63 4.16 1miyA1 ASP 21 HB2 0.08 0.00 -0.33 -0.04 2.71 2.42 1miyA1 ASP 21 HB3 0.15 0.10 0.30 -0.04 2.70 3.22 1miyA1 ALA 22 H -0.32 0.20 0.19 -0.55 8.40 7.92 1miyA1 ALA 22 HA -0.00 0.25 0.87 -0.75 4.34 4.70 1miyA1 ALA 22 HB3 -0.14 0.00 -0.16 -0.04 1.41 1.07 1miyA1 TYR 23 H 0.21 0.84 0.35 -0.55 8.29 9.14 1miyA1 TYR 23 HA -0.10 0.10 0.83 -0.75 4.56 4.64 1miyA1 TYR 23 HB2 0.11 -0.00 -0.01 -0.04 3.06 3.12 1miyA1 TYR 23 HB3 0.07 0.07 0.07 -0.04 2.98 3.15 1miyA1 TYR 23 HD2 0.21 0.06 -0.17 -0.04 7.15 7.20 1miyA1 TYR 23 HE2 0.19 0.00 -0.10 -0.04 6.85 6.90 1miyA1 PHE 24 H 0.10 0.51 0.31 -0.55 8.34 8.70 1miyA1 PHE 24 HA 0.17 0.27 0.87 -0.75 4.62 5.18 1miyA1 PHE 24 HB2 0.13 -0.03 0.21 -0.04 3.15 3.41 1miyA1 PHE 24 HB3 0.33 -0.01 0.00 -0.04 3.06 3.35 1miyA1 PHE 24 HD2 0.09 0.06 -0.09 -0.04 7.28 7.29 1miyA1 PHE 24 HE2 0.04 0.04 -0.20 -0.04 7.38 7.22 1miyA1 PHE 24 HZ 0.12 0.15 -0.31 -0.04 7.32 7.24 1miyA1 VAL 25 H 0.30 0.61 0.26 -0.55 8.24 8.86 1miyA1 VAL 25 HA 0.17 0.23 0.90 -0.75 4.13 4.67 1miyA1 VAL 25 HB 0.11 0.04 -0.01 -0.04 2.12 2.23 1miyA1 VAL 25 HG13 0.13 0.03 -0.11 -0.04 0.97 0.98 1miyA1 VAL 25 HG23 0.17 -0.01 -0.17 -0.04 0.95 0.90 1miyA1 GLY 26 H 0.10 0.39 0.20 -0.55 8.43 8.57 1miyA1 GLY 26 HA2 0.07 0.21 0.42 -0.51 4.01 4.21 1miyA1 GLY 26 HA3 0.09 0.09 0.53 -0.51 4.01 4.21 1miyA1 GLY 27 H 0.08 0.22 0.22 -0.55 8.43 8.40 1miyA1 GLY 27 HA2 0.04 0.08 0.27 -0.51 4.01 3.89 1miyA1 GLY 27 HA3 0.07 0.13 0.35 -0.51 4.01 4.04 1miyA1 ALA 28 H 0.07 0.20 -0.12 -0.55 8.40 8.00 1miyA1 ALA 28 HA 0.03 0.01 0.27 -0.75 4.34 3.90 1miyA1 ALA 28 HB3 0.00 0.12 -0.02 -0.04 1.41 1.47 1miyA1 VAL 29 H 0.15 0.41 -0.70 -0.55 8.24 7.55 1miyA1 VAL 29 HA 0.17 0.08 0.40 -0.75 4.13 4.03 1miyA1 VAL 29 HB 0.10 0.07 -0.03 -0.04 2.12 2.22 1miyA1 VAL 29 HG13 0.07 -0.03 -0.25 -0.04 0.97 0.72 1miyA1 VAL 29 HG23 0.20 0.00 -0.38 -0.04 0.95 0.73 1miyA1 ARG 30 H 0.08 0.26 0.03 -0.55 8.46 8.28 1miyA1 ARG 30 HA 0.06 -0.02 0.51 -0.75 4.34 4.14 1miyA1 ARG 30 HB2 0.02 0.24 0.11 -0.04 1.90 2.23 1miyA1 ARG 30 HB3 0.03 -0.01 0.27 -0.04 1.80 2.06 1miyA1 ARG 30 HG2 0.00 0.05 -0.22 -0.04 1.67 1.46 1miyA1 ARG 30 HG3 -0.01 -0.05 -0.04 -0.04 1.67 1.53 1miyA1 ARG 30 HD2 -0.23 0.05 -0.12 -0.04 3.22 2.88 1miyA1 ARG 30 HD3 -0.16 -0.10 -0.16 -0.04 3.22 2.76 1miyA1 ASP 31 H 0.06 0.71 -0.00 -0.55 8.40 8.62 1miyA1 ASP 31 HA 0.05 -0.01 0.15 -0.75 4.63 4.06 1miyA1 ASP 31 HB2 0.06 -0.05 -0.13 -0.04 2.71 2.54 1miyA1 ASP 31 HB3 0.04 0.21 -0.38 -0.04 2.70 2.53 1miyA1 LEU 32 H 0.12 0.21 -0.64 -0.55 8.37 7.52 1miyA1 LEU 32 HA 0.10 0.05 0.42 -0.75 4.35 4.17 1miyA1 LEU 32 HB2 0.28 -0.06 0.13 -0.04 1.64 1.95 1miyA1 LEU 32 HB3 0.14 0.04 0.23 -0.04 1.64 2.01 1miyA1 LEU 32 HG 0.01 0.05 -0.27 -0.04 1.64 1.39 1miyA1 LEU 32 HD13 0.05 -0.01 0.02 -0.04 0.93 0.95 1miyA1 LEU 32 HD23 -0.26 -0.05 -0.02 -0.04 0.89 0.52 1miyA1 LEU 33 H 0.07 0.78 0.02 -0.55 8.37 8.69 1miyA1 LEU 33 HA 0.04 -0.01 0.40 -0.75 4.35 4.02 1miyA1 LEU 33 HB2 0.06 0.02 0.28 -0.04 1.64 1.96 1miyA1 LEU 33 HB3 0.05 -0.05 0.02 -0.04 1.64 1.62 1miyA1 LEU 33 HG 0.04 0.08 0.01 -0.04 1.64 1.72 1miyA1 LEU 33 HD13 0.05 -0.05 -0.11 -0.04 0.93 0.77 1miyA1 LEU 33 HD23 0.02 -0.01 -0.02 -0.04 0.89 0.83 1miyA1 LEU 34 H 0.08 0.31 0.06 -0.55 8.37 8.28 1miyA1 LEU 34 HA 0.11 -0.03 0.27 -0.75 4.35 3.94 1miyA1 LEU 34 HB2 0.11 -0.12 -0.11 -0.04 1.64 1.48 1miyA1 LEU 34 HB3 0.09 -0.06 -0.16 -0.04 1.64 1.47 1miyA1 LEU 34 HG 0.16 0.09 -0.14 -0.04 1.64 1.71 1miyA1 LEU 34 HD13 0.37 -0.01 -0.01 -0.04 0.93 1.23 1miyA1 LEU 34 HD23 0.06 -0.03 -0.12 -0.04 0.89 0.76 1miyA1 GLY 35 H 0.07 0.30 -0.95 -0.55 8.43 7.30 1miyA1 GLY 35 HA2 0.05 0.03 0.33 -0.51 4.01 3.91 1miyA1 GLY 35 HA3 0.05 0.02 0.76 -0.51 4.01 4.33 1miyA1 ARG 36 H 0.06 0.32 0.06 -0.55 8.46 8.35 1miyA1 ARG 36 HA 0.05 0.17 0.74 -0.75 4.34 4.56 1miyA1 ARG 36 HB2 0.05 -0.21 -0.03 -0.04 1.90 1.67 1miyA1 ARG 36 HB3 0.04 0.13 -0.04 -0.04 1.80 1.89 1miyA1 ARG 36 HG2 0.06 0.09 -0.00 -0.04 1.67 1.78 1miyA1 ARG 36 HG3 0.07 -0.02 -0.14 -0.04 1.67 1.53 1miyA1 ARG 36 HD2 0.01 -0.02 -0.08 -0.04 3.22 3.09 1miyA1 ARG 36 HD3 0.03 -0.16 -0.07 -0.04 3.22 2.97 1miyA1 PRO 37 HA 0.02 0.01 0.49 -0.51 4.44 4.45 1miyA1 PRO 37 HB2 0.01 -0.01 -0.03 -0.04 2.28 2.20 1miyA1 PRO 37 HB3 0.01 0.02 0.04 -0.04 2.02 2.04 1miyA1 PRO 37 HG2 0.02 0.05 0.06 -0.04 2.03 2.12 1miyA1 PRO 37 HG3 0.02 0.05 0.07 -0.04 2.03 2.12 1miyA1 PRO 37 HD2 0.04 0.09 0.19 -0.04 3.68 3.95 1miyA1 PRO 37 HD3 0.04 0.22 0.16 -0.04 3.65 4.03 1miyA1 ILE 38 H 0.00 0.10 0.12 -0.55 8.25 7.92 1miyA1 ILE 38 HA 0.00 -0.01 0.47 -0.75 4.18 3.88 1miyA1 ILE 38 HB -0.06 -0.04 0.13 -0.04 1.89 1.88 1miyA1 ILE 38 HG12 0.07 0.01 -0.24 -0.04 1.49 1.28 1miyA1 ILE 38 HG13 0.04 0.10 -0.00 -0.04 1.21 1.31 1miyA1 ILE 38 HG23 -0.20 -0.00 -0.14 -0.04 0.93 0.54 1miyA1 ILE 38 HD13 0.18 -0.01 0.01 -0.04 0.88 1.02 1miyA1 GLY 39 H -0.01 0.05 0.03 -0.55 8.43 7.95 1miyA1 GLY 39 HA2 -0.03 0.14 0.30 -0.51 4.01 3.91 1miyA1 GLY 39 HA3 -0.01 -0.07 0.33 -0.51 4.01 3.75 1miyA1 ASP 40 H -0.01 0.07 0.10 -0.55 8.40 8.01 1miyA1 ASP 40 HA -0.06 0.11 0.49 -0.75 4.63 4.42 1miyA1 ASP 40 HB2 0.01 -0.09 0.13 -0.04 2.71 2.72 1miyA1 ASP 40 HB3 0.00 0.06 -0.09 -0.04 2.70 2.63 1miyA1 VAL 41 H -0.04 0.20 0.17 -0.55 8.24 8.02 1miyA1 VAL 41 HA -0.08 0.03 0.73 -0.75 4.13 4.06 1miyA1 VAL 41 HB 0.33 -0.01 0.08 -0.04 2.12 2.48 1miyA1 VAL 41 HG13 -0.02 -0.01 -0.18 -0.04 0.97 0.73 1miyA1 VAL 41 HG23 -0.37 0.06 -0.14 -0.04 0.95 0.46 1miyA1 ASP 42 H 0.14 0.18 0.18 -0.55 8.40 8.35 1miyA1 ASP 42 HA 0.14 0.10 0.96 -0.75 4.63 5.07 1miyA1 ASP 42 HB2 0.12 0.05 0.18 -0.04 2.71 3.02 1miyA1 ASP 42 HB3 0.12 0.03 0.02 -0.04 2.70 2.83 1miyA1 ILE 43 H 0.11 0.48 0.08 -0.55 8.25 8.37 1miyA1 ILE 43 HA 0.16 0.28 1.16 -0.75 4.18 5.02 1miyA1 ILE 43 HB -0.01 -0.06 -0.10 -0.04 1.89 1.68 1miyA1 ILE 43 HG12 -0.11 0.02 -0.19 -0.04 1.49 1.17 1miyA1 ILE 43 HG13 0.27 -0.03 -0.58 -0.04 1.21 0.83 1miyA1 ILE 43 HG23 -0.09 -0.01 -0.31 -0.04 0.93 0.49 1miyA1 ILE 43 HD13 -0.06 -0.01 -0.16 -0.04 0.88 0.61 1miyA1 ALA 44 H 0.19 0.61 0.30 -0.55 8.40 8.94 1miyA1 ALA 44 HA 0.11 0.11 1.21 -0.75 4.34 5.01 1miyA1 ALA 44 HB3 0.35 0.01 0.03 -0.04 1.41 1.75 1miyA1 THR 45 H -0.15 0.54 0.13 -0.55 8.28 8.25 1miyA1 THR 45 HA -0.29 0.20 0.98 -0.75 4.39 4.52 1miyA1 THR 45 HB -0.13 -0.07 -0.32 -0.04 4.32 3.76 1miyA1 THR 45 HG23 -0.23 -0.03 -0.21 -0.04 1.22 0.71 1miyA1 SER 46 H -0.36 0.61 0.26 -0.55 8.46 8.43 1miyA1 SER 46 HA -0.58 0.08 0.81 -0.75 4.49 4.05 1miyA1 SER 46 HB2 0.03 -0.07 0.27 -0.04 3.95 4.13 1miyA1 SER 46 HB3 -0.03 -0.01 0.23 -0.04 3.93 4.08 1miyA1 ALA 47 H -0.26 0.01 -0.15 -0.55 8.40 7.45 1miyA1 ALA 47 HA -0.26 0.06 0.55 -0.75 4.34 3.94 1miyA1 ALA 47 HB3 -0.85 0.00 -0.04 -0.04 1.41 0.48 1miyA1 LEU 48 H -0.18 0.10 0.18 -0.55 8.37 7.93 1miyA1 LEU 48 HA -0.33 0.19 0.27 -0.75 4.35 3.73 1miyA1 LEU 48 HB2 -0.12 -0.14 0.12 -0.04 1.64 1.47 1miyA1 LEU 48 HB3 -0.21 0.02 0.14 -0.04 1.64 1.55 1miyA1 LEU 48 HG -0.07 0.07 0.15 -0.04 1.64 1.75 1miyA1 LEU 48 HD13 0.02 -0.00 0.05 -0.04 0.93 0.96 1miyA1 LEU 48 HD23 -0.17 0.03 0.01 -0.04 0.89 0.72 1miyA1 PRO 49 HA -0.15 0.12 0.39 -0.51 4.44 4.29 1miyA1 PRO 49 HB2 -0.13 -0.02 0.10 -0.04 2.28 2.19 1miyA1 PRO 49 HB3 -0.12 0.01 0.06 -0.04 2.02 1.94 1miyA1 PRO 49 HG2 -0.24 0.17 0.16 -0.04 2.03 2.07 1miyA1 PRO 49 HG3 -0.23 0.22 0.10 -0.04 2.03 2.08 1miyA1 PRO 49 HD2 -0.41 0.07 0.23 -0.04 3.68 3.53 1miyA1 PRO 49 HD3 -0.51 0.20 0.23 -0.04 3.65 3.52 1miyA1 GLU 50 H -0.12 0.12 -0.28 -0.55 8.60 7.77 1miyA1 GLU 50 HA -0.06 0.08 0.25 -0.75 4.29 3.81 1miyA1 GLU 50 HB2 -0.05 -0.02 0.00 -0.04 2.09 1.98 1miyA1 GLU 50 HB3 -0.04 0.06 -0.02 -0.04 1.99 1.95 1miyA1 GLU 50 HG2 -0.02 0.04 0.00 -0.04 2.34 2.32 1miyA1 GLU 50 HG3 -0.04 0.01 -0.00 -0.04 2.34 2.26 1miyA1 ASP 51 H -0.14 0.14 -0.25 -0.55 8.40 7.61 1miyA1 ASP 51 HA -0.10 0.09 0.52 -0.75 4.63 4.38 1miyA1 ASP 51 HB2 -0.37 0.07 -0.00 -0.04 2.71 2.37 1miyA1 ASP 51 HB3 -0.52 0.05 -0.02 -0.04 2.70 2.17 1miyA1 VAL 52 H -0.16 0.47 -0.29 -0.55 8.24 7.71 1miyA1 VAL 52 HA 0.00 0.03 0.47 -0.75 4.13 3.87 1miyA1 VAL 52 HB -0.06 0.10 0.01 -0.04 2.12 2.12 1miyA1 VAL 52 HG13 0.06 -0.02 -0.06 -0.04 0.97 0.91 1miyA1 VAL 52 HG23 -0.17 0.06 -0.20 -0.04 0.95 0.60 1miyA1 MET 53 H -0.05 0.37 -0.17 -0.55 8.47 8.08 1miyA1 MET 53 HA 0.02 0.10 0.46 -0.75 4.52 4.34 1miyA1 MET 53 HB2 -0.03 0.03 0.03 -0.04 2.15 2.14 1miyA1 MET 53 HB3 -0.01 -0.00 0.04 -0.04 2.03 2.02 1miyA1 MET 53 HG2 -0.02 -0.04 -0.11 -0.04 2.63 2.42 1miyA1 MET 53 HG3 -0.05 0.16 -0.11 -0.04 2.56 2.52 1miyA1 MET 53 HE3 -0.04 -0.03 -0.11 -0.04 2.10 1.89 1miyA1 ALA 54 H -0.07 0.15 -0.46 -0.55 8.40 7.48 1miyA1 ALA 54 HA -0.04 0.10 0.69 -0.75 4.34 4.34 1miyA1 ALA 54 HB3 -0.05 0.00 0.08 -0.04 1.41 1.39 1miyA1 ILE 55 H -0.18 0.22 -0.17 -0.55 8.25 7.57 1miyA1 ILE 55 HA -0.37 0.02 0.27 -0.75 4.18 3.35 1miyA1 ILE 55 HB -0.63 0.00 0.10 -0.04 1.89 1.32 1miyA1 ILE 55 HG12 -1.06 -0.05 -0.01 -0.04 1.49 0.32 1miyA1 ILE 55 HG13 -0.38 0.14 0.07 -0.04 1.21 0.99 1miyA1 ILE 55 HG23 -1.12 -0.03 -0.23 -0.04 0.93 -0.49 1miyA1 ILE 55 HD13 -0.38 -0.02 -0.10 -0.04 0.88 0.35 1miyA1 PHE 56 H -0.01 0.36 -0.12 -0.55 8.34 8.02 1miyA1 PHE 56 HA -0.05 0.09 0.67 -0.75 4.62 4.58 1miyA1 PHE 56 HB2 -0.06 0.09 -0.04 -0.04 3.15 3.11 1miyA1 PHE 56 HB3 -0.03 -0.02 -0.03 -0.04 3.06 2.94 1miyA1 PHE 56 HD2 -0.12 0.20 0.02 -0.04 7.28 7.33 1miyA1 PHE 56 HE2 -0.23 -0.06 -0.10 -0.04 7.38 6.96 1miyA1 PHE 56 HZ -0.18 0.21 -0.02 -0.04 7.32 7.29 1miyA1 PRO 57 HA 0.03 0.13 0.46 -0.51 4.44 4.55 1miyA1 PRO 57 HB2 0.06 -0.14 0.20 -0.04 2.28 2.37 1miyA1 PRO 57 HB3 0.04 0.01 0.10 -0.04 2.02 2.13 1miyA1 PRO 57 HG2 0.06 -0.03 0.12 -0.04 2.03 2.14 1miyA1 PRO 57 HG3 0.03 0.09 0.08 -0.04 2.03 2.19 1miyA1 PRO 57 HD2 0.17 0.05 0.21 -0.04 3.68 4.06 1miyA1 PRO 57 HD3 0.06 0.21 0.25 -0.04 3.65 4.14 1miyA1 LYS 58 H 0.08 0.10 0.07 -0.55 8.42 8.11 1miyA1 LYS 58 HA 0.03 0.09 0.61 -0.75 4.32 4.30 1miyA1 LYS 58 HB2 0.04 -0.01 0.11 -0.04 1.87 1.96 1miyA1 LYS 58 HB3 0.04 0.02 0.18 -0.04 1.79 1.99 1miyA1 LYS 58 HG2 0.01 -0.03 -0.02 -0.04 1.46 1.38 1miyA1 LYS 58 HG3 0.01 -0.04 -0.15 -0.04 1.46 1.24 1miyA1 LYS 58 HD2 0.01 0.03 0.03 -0.04 1.69 1.71 1miyA1 LYS 58 HD3 0.02 0.01 -0.00 -0.04 1.68 1.66 1miyA1 LYS 58 HE2 0.00 -0.01 -0.03 -0.04 2.99 2.91 1miyA1 LYS 58 HE3 0.00 -0.03 -0.05 -0.04 2.99 2.87 1miyA1 THR 59 H 0.02 0.20 0.17 -0.55 8.28 8.12 1miyA1 THR 59 HA 0.00 0.17 0.97 -0.75 4.39 4.78 1miyA1 THR 59 HB 0.00 -0.08 0.14 -0.04 4.32 4.35 1miyA1 THR 59 HG23 0.00 -0.03 -0.15 -0.04 1.22 0.99 1miyA1 ILE 60 H -0.01 0.64 0.26 -0.55 8.25 8.59 1miyA1 ILE 60 HA -0.01 0.16 0.92 -0.75 4.18 4.50 1miyA1 ILE 60 HB -0.01 -0.07 0.13 -0.04 1.89 1.89 1miyA1 ILE 60 HG12 -0.00 0.05 -0.16 -0.04 1.49 1.33 1miyA1 ILE 60 HG13 -0.01 -0.01 -0.07 -0.04 1.21 1.08 1miyA1 ILE 60 HG23 -0.01 0.01 -0.11 -0.04 0.93 0.78 1miyA1 ILE 60 HD13 -0.01 -0.00 -0.08 -0.04 0.88 0.75 1miyA1 ASP 61 H -0.01 0.24 0.14 -0.55 8.40 8.23 1miyA1 ASP 61 HA -0.03 0.07 0.67 -0.75 4.63 4.59 1miyA1 ASP 61 HB2 -0.02 0.10 0.09 -0.04 2.71 2.84 1miyA1 ASP 61 HB3 -0.02 0.04 0.22 -0.04 2.70 2.90 1miyA1 VAL 62 H -0.02 0.24 0.15 -0.55 8.24 8.07 1miyA1 VAL 62 HA 0.01 0.13 0.40 -0.75 4.13 3.91 1miyA1 VAL 62 HB 0.02 0.01 -0.06 -0.04 2.12 2.05 1miyA1 VAL 62 HG13 0.03 0.01 -0.07 -0.04 0.97 0.90 1miyA1 VAL 62 HG23 -0.00 0.03 -0.06 -0.04 0.95 0.88 1miyA1 GLY 63 H -0.05 0.14 -0.13 -0.55 8.43 7.85 1miyA1 GLY 63 HA2 -0.15 0.10 0.45 -0.51 4.01 3.90 1miyA1 GLY 63 HA3 -0.13 0.10 0.33 -0.51 4.01 3.80 1miyA1 SER 64 H -0.10 0.20 0.03 -0.55 8.46 8.05 1miyA1 SER 64 HA -0.11 0.22 0.48 -0.75 4.49 4.33 1miyA1 SER 64 HB2 -0.08 0.01 0.10 -0.04 3.95 3.94 1miyA1 SER 64 HB3 -0.07 0.03 0.09 -0.04 3.93 3.94 1miyA1 LYS 65 H -0.28 -0.02 -0.56 -0.55 8.42 7.01 1miyA1 LYS 65 HA 0.01 0.16 0.59 -0.75 4.32 4.32 1miyA1 LYS 65 HB2 0.01 0.07 0.01 -0.04 1.87 1.91 1miyA1 LYS 65 HB3 -0.02 0.03 0.06 -0.04 1.79 1.82 1miyA1 LYS 65 HG2 -0.43 -0.15 -0.02 -0.04 1.46 0.81 1miyA1 LYS 65 HG3 -0.03 0.08 -0.01 -0.04 1.46 1.46 1miyA1 LYS 65 HD2 -0.02 0.06 -0.00 -0.04 1.69 1.69 1miyA1 LYS 65 HD3 -0.07 -0.09 -0.03 -0.04 1.68 1.45 1miyA1 LYS 65 HE2 -0.05 -0.01 0.05 -0.04 2.99 2.94 1miyA1 LYS 65 HE3 0.02 0.05 0.02 -0.04 2.99 3.03 1miyA1 HIS 66 H -0.46 0.30 -0.23 -0.55 8.41 7.48 1miyA1 HIS 66 HA 0.17 0.21 0.77 -0.75 4.63 5.02 1miyA1 HIS 66 HB2 0.07 -0.01 0.13 -0.04 3.26 3.42 1miyA1 HIS 66 HB3 0.06 0.07 0.01 -0.04 3.20 3.29 1miyA1 HIS 66 HD2 0.04 -0.04 -0.05 -0.04 6.97 6.88 1miyA1 HIS 66 HE1 0.02 0.03 -0.00 -0.04 7.75 7.75 1miyA1 GLY 67 H 0.03 0.11 -0.17 -0.55 8.43 7.86 1miyA1 GLY 67 HA2 -0.13 0.03 0.29 -0.51 4.01 3.69 1miyA1 GLY 67 HA3 0.13 0.26 0.62 -0.51 4.01 4.51 1miyA1 THR 68 H 0.08 0.14 -0.19 -0.55 8.28 7.76 1miyA1 THR 68 HA -0.00 0.24 0.39 -0.75 4.39 4.26 1miyA1 THR 68 HB 0.07 -0.05 -0.05 -0.04 4.32 4.24 1miyA1 THR 68 HG23 0.03 -0.01 -0.26 -0.04 1.22 0.93 1miyA1 VAL 69 H -0.03 0.62 0.29 -0.55 8.24 8.58 1miyA1 VAL 69 HA -0.04 -0.02 0.71 -0.75 4.13 4.03 1miyA1 VAL 69 HB -0.08 0.05 0.10 -0.04 2.12 2.15 1miyA1 VAL 69 HG13 -0.05 0.01 -0.26 -0.04 0.97 0.64 1miyA1 VAL 69 HG23 -0.08 0.02 -0.10 -0.04 0.95 0.75 1miyA1 VAL 70 H -0.02 0.45 0.26 -0.55 8.24 8.38 1miyA1 VAL 70 HA -0.02 0.22 0.94 -0.75 4.13 4.52 1miyA1 VAL 70 HB -0.02 -0.01 0.18 -0.04 2.12 2.23 1miyA1 VAL 70 HG13 -0.02 -0.01 -0.23 -0.04 0.97 0.67 1miyA1 VAL 70 HG23 -0.00 -0.01 -0.13 -0.04 0.95 0.76 1miyA1 VAL 71 H -0.03 0.85 0.37 -0.55 8.24 8.87 1miyA1 VAL 71 HA -0.08 0.24 0.96 -0.75 4.13 4.49 1miyA1 VAL 71 HB -0.27 -0.08 0.16 -0.04 2.12 1.89 1miyA1 VAL 71 HG13 -0.77 0.03 -0.17 -0.04 0.97 0.02 1miyA1 VAL 71 HG23 -0.34 0.02 -0.10 -0.04 0.95 0.49 1miyA1 VAL 72 H 0.00 0.30 0.05 -0.55 8.24 8.04 1miyA1 VAL 72 HA 0.05 0.28 0.90 -0.75 4.13 4.61 1miyA1 VAL 72 HB 0.03 -0.04 0.14 -0.04 2.12 2.20 1miyA1 VAL 72 HG13 0.02 0.02 -0.11 -0.04 0.97 0.85 1miyA1 VAL 72 HG23 -0.01 -0.01 -0.08 -0.04 0.95 0.81 1miyA1 HIS 73 H 0.24 0.42 0.29 -0.55 8.41 8.82 1miyA1 HIS 73 HA 0.08 0.15 0.99 -0.75 4.63 5.10 1miyA1 HIS 73 HB2 -0.03 0.05 -0.14 -0.04 3.26 3.11 1miyA1 HIS 73 HB3 0.25 -0.01 0.07 -0.04 3.20 3.47 1miyA1 HIS 73 HD2 0.10 0.00 0.07 -0.04 6.97 7.10 1miyA1 HIS 73 HE1 0.01 0.01 0.07 -0.04 7.75 7.79 1miyA1 LYS 74 H -0.01 0.21 0.14 -0.55 8.42 8.21 1miyA1 LYS 74 HA -0.09 0.04 0.34 -0.75 4.32 3.85 1miyA1 LYS 74 HB2 -0.54 0.08 -0.35 -0.04 1.87 1.01 1miyA1 LYS 74 HB3 -0.16 0.03 0.20 -0.04 1.79 1.82 1miyA1 LYS 74 HG2 -0.15 -0.00 0.09 -0.04 1.46 1.36 1miyA1 LYS 74 HG3 -0.67 -0.02 -0.01 -0.04 1.46 0.73 1miyA1 LYS 74 HD2 -0.07 0.00 0.05 -0.04 1.69 1.63 1miyA1 LYS 74 HD3 -0.05 -0.01 0.03 -0.04 1.68 1.62 1miyA1 LYS 74 HE2 -0.08 0.08 0.08 -0.04 2.99 3.03 1miyA1 LYS 74 HE3 -0.14 0.00 0.03 -0.04 2.99 2.84 1miyA1 GLY 75 H 0.00 -0.03 -0.64 -0.55 8.43 7.22 1miyA1 GLY 75 HA2 -0.01 -0.03 0.20 -0.51 4.01 3.65 1miyA1 GLY 75 HA3 -0.02 0.18 0.68 -0.51 4.01 4.33 1miyA1 LYS 76 H 0.01 0.30 -0.01 -0.55 8.42 8.17 1miyA1 LYS 76 HA -0.13 0.18 0.58 -0.75 4.32 4.18 1miyA1 LYS 76 HB2 -0.79 -0.02 -0.06 -0.04 1.87 0.96 1miyA1 LYS 76 HB3 -0.34 -0.02 0.14 -0.04 1.79 1.54 1miyA1 LYS 76 HG2 -0.03 -0.06 -0.60 -0.04 1.46 0.73 1miyA1 LYS 76 HG3 0.09 0.01 -0.12 -0.04 1.46 1.40 1miyA1 LYS 76 HD2 -0.08 -0.01 -0.03 -0.04 1.69 1.53 1miyA1 LYS 76 HD3 -0.11 0.02 -0.00 -0.04 1.68 1.54 1miyA1 LYS 76 HE2 -0.03 0.07 -0.10 -0.04 2.99 2.88 1miyA1 LYS 76 HE3 0.02 -0.02 -0.08 -0.04 2.99 2.87 1miyA1 ALA 77 H -0.32 0.22 0.10 -0.55 8.40 7.85 1miyA1 ALA 77 HA -0.09 0.17 0.87 -0.75 4.34 4.54 1miyA1 ALA 77 HB3 -0.09 0.01 -0.02 -0.04 1.41 1.27 1miyA1 TYR 78 H 0.12 0.55 0.19 -0.55 8.29 8.60 1miyA1 TYR 78 HA -0.02 0.30 1.17 -0.75 4.56 5.26 1miyA1 TYR 78 HB2 -0.07 -0.00 0.08 -0.04 3.06 3.03 1miyA1 TYR 78 HB3 -0.00 0.03 0.01 -0.04 2.98 2.97 1miyA1 TYR 78 HD2 0.01 0.12 0.01 -0.04 7.15 7.25 1miyA1 TYR 78 HE2 0.02 0.13 -0.03 -0.04 6.85 6.92 1miyA1 GLU 79 H 0.10 0.28 0.22 -0.55 8.60 8.66 1miyA1 GLU 79 HA 0.02 0.20 0.88 -0.75 4.29 4.63 1miyA1 GLU 79 HB2 0.04 0.01 0.15 -0.04 2.09 2.25 1miyA1 GLU 79 HB3 0.05 -0.01 0.08 -0.04 1.99 2.06 1miyA1 GLU 79 HG2 0.02 0.02 -0.18 -0.04 2.34 2.16 1miyA1 GLU 79 HG3 0.01 -0.01 -0.13 -0.04 2.34 2.17 1miyA1 VAL 80 H -0.03 0.49 0.36 -0.55 8.24 8.51 1miyA1 VAL 80 HA -0.01 0.56 0.89 -0.75 4.13 4.82 1miyA1 VAL 80 HB -0.11 0.02 0.18 -0.04 2.12 2.17 1miyA1 VAL 80 HG13 -0.10 -0.01 -0.26 -0.04 0.97 0.55 1miyA1 VAL 80 HG23 -0.17 -0.02 -0.08 -0.04 0.95 0.64 1miyA1 THR 81 H 0.03 0.55 0.44 -0.55 8.28 8.76 1miyA1 THR 81 HA -0.01 0.25 0.96 -0.75 4.39 4.83 1miyA1 THR 81 HB 0.11 -0.06 -0.04 -0.04 4.32 4.29 1miyA1 THR 81 HG23 0.08 0.02 -0.24 -0.04 1.22 1.04 1miyA1 THR 82 H -0.10 0.36 0.10 -0.55 8.28 8.09 1miyA1 THR 82 HA -0.24 0.26 0.44 -0.75 4.39 4.10 1miyA1 THR 82 HB -0.33 -0.08 0.10 -0.04 4.32 3.97 1miyA1 THR 82 HG23 -0.24 -0.01 -0.37 -0.04 1.22 0.55 1miyA1 PHE 83 H -0.31 0.55 0.29 -0.55 8.34 8.32 1miyA1 PHE 83 HA 0.07 -0.02 0.19 -0.75 4.62 4.11 1miyA1 PHE 83 HB2 0.09 0.02 -0.23 -0.04 3.15 2.99 1miyA1 PHE 83 HB3 0.07 -0.01 -0.14 -0.04 3.06 2.94 1miyA1 PHE 83 HD2 0.08 -0.05 -0.39 -0.04 7.28 6.88 1miyA1 PHE 83 HE2 0.16 0.04 -0.41 -0.04 7.38 7.13 1miyA1 PHE 83 HZ 0.42 -0.01 -0.18 -0.04 7.32 7.51 1miyA1 LYS 84 H 0.19 0.18 0.17 -0.55 8.42 8.41 1miyA1 LYS 84 HA 0.20 0.15 0.97 -0.75 4.32 4.88 1miyA1 LYS 84 HB2 0.13 -0.06 -0.05 -0.04 1.87 1.85 1miyA1 LYS 84 HB3 0.33 0.20 -0.35 -0.04 1.79 1.94 1miyA1 LYS 84 HG2 0.14 -0.09 -0.10 -0.04 1.46 1.36 1miyA1 LYS 84 HG3 0.09 -0.06 -0.27 -0.04 1.46 1.17 1miyA1 LYS 84 HD2 0.24 0.07 -0.15 -0.04 1.69 1.81 1miyA1 LYS 84 HD3 0.14 -0.06 -0.09 -0.04 1.68 1.63 1miyA1 LYS 84 HE2 0.08 -0.07 -0.11 -0.04 2.99 2.85 1miyA1 LYS 84 HE3 0.15 0.12 0.00 -0.04 2.99 3.23 1miyA1 THR 85 H 0.03 0.59 0.25 -0.55 8.28 8.61 1miyA1 THR 85 HA 0.01 0.18 0.80 -0.75 4.39 4.63 1miyA1 THR 85 HB -0.01 -0.03 0.14 -0.04 4.32 4.38 1miyA1 THR 85 HG23 -0.01 0.02 -0.11 -0.04 1.22 1.08 1miyA1 ASP 86 H -0.01 0.21 0.04 -0.55 8.40 8.09 1miyA1 ASP 86 HA -0.01 0.03 0.48 -0.75 4.63 4.38 1miyA1 ASP 86 HB2 -0.02 0.04 0.21 -0.04 2.71 2.89 1miyA1 ASP 86 HB3 -0.02 0.05 0.11 -0.04 2.70 2.81 1miyA1 GLY 87 H -0.03 0.27 0.39 -0.55 8.43 8.52 1miyA1 GLY 87 HA2 -0.02 0.03 0.23 -0.51 4.01 3.74 1miyA1 GLY 87 HA3 -0.03 0.10 0.28 -0.51 4.01 3.84 1miyA1 SER 97 HA -0.01 -0.07 0.27 -0.75 4.49 3.92 1miyA1 SER 97 HB2 -0.05 0.01 0.07 -0.04 3.95 3.94 1miyA1 SER 97 HB3 -0.02 -0.03 0.09 -0.04 3.93 3.92 1miyA1 VAL 98 H -0.08 0.14 0.18 -0.55 8.24 7.93 1miyA1 VAL 98 HA -0.08 0.15 0.94 -0.75 4.13 4.39 1miyA1 VAL 98 HB -0.08 0.05 0.13 -0.04 2.12 2.17 1miyA1 VAL 98 HG13 -0.05 -0.01 -0.24 -0.04 0.97 0.62 1miyA1 VAL 98 HG23 0.07 -0.01 -0.02 -0.04 0.95 0.95 1miyA1 THR 99 H -0.13 0.28 0.19 -0.55 8.28 8.07 1miyA1 THR 99 HA -0.38 0.16 0.93 -0.75 4.39 4.34 1miyA1 THR 99 HB -0.06 -0.05 0.10 -0.04 4.32 4.27 1miyA1 THR 99 HG23 -0.07 0.02 -0.02 -0.04 1.22 1.11 1miyA1 PHE 100 H -0.41 0.16 0.12 -0.55 8.34 7.66 1miyA1 PHE 100 HA 0.06 0.28 0.82 -0.75 4.62 5.03 1miyA1 PHE 100 HB2 0.03 -0.07 0.10 -0.04 3.15 3.16 1miyA1 PHE 100 HB3 0.03 0.15 0.00 -0.04 3.06 3.20 1miyA1 PHE 100 HD2 0.03 0.08 -0.08 -0.04 7.28 7.27 1miyA1 PHE 100 HE2 0.01 -0.03 -0.16 -0.04 7.38 7.16 1miyA1 PHE 100 HZ -0.00 0.05 -0.12 -0.04 7.32 7.21 1miyA1 VAL 101 H 0.25 0.31 -0.14 -0.55 8.24 8.11 1miyA1 VAL 101 HA 0.14 0.26 0.88 -0.75 4.13 4.66 1miyA1 VAL 101 HB 0.12 -0.34 0.19 -0.04 2.12 2.05 1miyA1 VAL 101 HG13 0.07 0.04 -0.22 -0.04 0.97 0.82 1miyA1 VAL 101 HG23 0.16 0.01 -0.20 -0.04 0.95 0.88 1miyA1 ARG 102 H 0.15 0.03 0.15 -0.55 8.46 8.25 1miyA1 ARG 102 HA 0.26 0.27 0.73 -0.75 4.34 4.85 1miyA1 ARG 102 HB2 0.12 -0.04 0.06 -0.04 1.90 1.99 1miyA1 ARG 102 HB3 0.15 -0.01 0.12 -0.04 1.80 2.02 1miyA1 ARG 102 HG2 0.11 0.08 0.10 -0.04 1.67 1.91 1miyA1 ARG 102 HG3 0.11 0.05 -0.18 -0.04 1.67 1.61 1miyA1 ARG 102 HD2 0.06 0.03 0.02 -0.04 3.22 3.29 1miyA1 ARG 102 HD3 0.07 0.02 -0.01 -0.04 3.22 3.25 1miyA1 SER 103 H 0.16 0.02 0.07 -0.55 8.46 8.16 1miyA1 SER 103 HA 0.05 0.15 0.65 -0.75 4.49 4.60 1miyA1 SER 103 HB2 0.05 0.09 0.08 -0.04 3.95 4.14 1miyA1 SER 103 HB3 0.03 0.03 0.16 -0.04 3.93 4.12 1miyA1 LEU 104 H -0.15 0.30 0.17 -0.55 8.37 8.15 1miyA1 LEU 104 HA -1.43 0.12 0.44 -0.75 4.35 2.73 1miyA1 LEU 104 HB2 -0.76 0.10 0.02 -0.04 1.64 0.96 1miyA1 LEU 104 HB3 -0.37 -0.01 0.12 -0.04 1.64 1.34 1miyA1 LEU 104 HG -0.38 -0.01 -0.41 -0.04 1.64 0.79 1miyA1 LEU 104 HD13 -0.43 0.01 -0.05 -0.04 0.93 0.42 1miyA1 LEU 104 HD23 -1.05 0.01 -0.08 -0.04 0.89 -0.26 1miyA1 GLU 105 H -0.15 0.11 -0.07 -0.55 8.60 7.94 1miyA1 GLU 105 HA -0.02 0.10 0.40 -0.75 4.29 4.02 1miyA1 GLU 105 HB2 -0.05 -0.04 0.09 -0.04 2.09 2.06 1miyA1 GLU 105 HB3 0.00 0.06 -0.10 -0.04 1.99 1.91 1miyA1 GLU 105 HG2 0.11 0.04 0.05 -0.04 2.34 2.51 1miyA1 GLU 105 HG3 -0.03 -0.01 0.02 -0.04 2.34 2.29 1miyA1 GLU 106 H -0.07 0.03 -0.56 -0.55 8.60 7.46 1miyA1 GLU 106 HA -0.00 0.10 0.47 -0.75 4.29 4.10 1miyA1 GLU 106 HB2 0.01 -0.03 0.09 -0.04 2.09 2.12 1miyA1 GLU 106 HB3 0.02 0.11 -0.11 -0.04 1.99 1.97 1miyA1 GLU 106 HG2 0.02 -0.07 -0.03 -0.04 2.34 2.22 1miyA1 GLU 106 HG3 0.03 -0.02 -0.02 -0.04 2.34 2.29 1miyA1 ASP 107 H -0.17 0.21 -0.30 -0.55 8.40 7.59 1miyA1 ASP 107 HA -0.02 0.24 0.53 -0.75 4.63 4.62 1miyA1 ASP 107 HB2 -0.17 -0.04 0.15 -0.04 2.71 2.60 1miyA1 ASP 107 HB3 -0.27 0.04 0.18 -0.04 2.70 2.60 1miyA1 LEU 108 H -0.15 0.51 0.08 -0.55 8.37 8.26 1miyA1 LEU 108 HA -0.10 -0.00 0.40 -0.75 4.35 3.89 1miyA1 LEU 108 HB2 0.01 0.00 0.07 -0.04 1.64 1.68 1miyA1 LEU 108 HB3 -0.05 0.07 0.02 -0.04 1.64 1.64 1miyA1 LEU 108 HG -0.14 0.04 -0.02 -0.04 1.64 1.48 1miyA1 LEU 108 HD13 -0.02 -0.01 -0.10 -0.04 0.93 0.75 1miyA1 LEU 108 HD23 -0.03 -0.00 -0.20 -0.04 0.89 0.62 1miyA1 LYS 109 H -0.13 0.30 -0.55 -0.55 8.42 7.49 1miyA1 LYS 109 HA -0.72 -0.04 0.17 -0.75 4.32 2.98 1miyA1 LYS 109 HB2 -0.01 0.25 0.17 -0.04 1.87 2.24 1miyA1 LYS 109 HB3 -0.07 0.12 0.00 -0.04 1.79 1.80 1miyA1 LYS 109 HG2 -0.12 0.03 0.08 -0.04 1.46 1.41 1miyA1 LYS 109 HG3 0.15 -0.06 0.02 -0.04 1.46 1.53 1miyA1 LYS 109 HD2 0.08 -0.06 -0.02 -0.04 1.69 1.65 1miyA1 LYS 109 HD3 0.00 0.03 -0.01 -0.04 1.68 1.66 1miyA1 LYS 109 HE2 0.01 0.02 -0.00 -0.04 2.99 2.98 1miyA1 LYS 109 HE3 0.10 -0.02 -0.00 -0.04 2.99 3.02 1miyA1 ARG 110 H -0.13 0.50 -0.55 -0.55 8.46 7.73 1miyA1 ARG 110 HA -0.10 0.14 0.72 -0.75 4.34 4.34 1miyA1 ARG 110 HB2 -0.04 -0.13 0.16 -0.04 1.90 1.84 1miyA1 ARG 110 HB3 -0.04 0.06 0.16 -0.04 1.80 1.94 1miyA1 ARG 110 HG2 -0.03 0.28 0.17 -0.04 1.67 2.05 1miyA1 ARG 110 HG3 -0.05 -0.02 -0.27 -0.04 1.67 1.29 1miyA1 ARG 110 HD2 -0.00 -0.04 -0.07 -0.04 3.22 3.06 1miyA1 ARG 110 HD3 0.02 -0.10 -0.13 -0.04 3.22 2.96 1miyA1 ARG 111 H -0.16 0.47 -0.06 -0.55 8.46 8.16 1miyA1 ARG 111 HA -0.10 0.02 0.28 -0.75 4.34 3.79 1miyA1 ARG 111 HB2 -0.11 0.04 -0.05 -0.04 1.90 1.74 1miyA1 ARG 111 HB3 -0.07 -0.19 0.04 -0.04 1.80 1.54 1miyA1 ARG 111 HG2 -0.04 -0.00 -0.05 -0.04 1.67 1.54 1miyA1 ARG 111 HG3 -0.07 0.13 0.06 -0.04 1.67 1.74 1miyA1 ARG 111 HD2 -0.00 0.08 -0.03 -0.04 3.22 3.22 1miyA1 ARG 111 HD3 0.01 -0.06 -0.04 -0.04 3.22 3.09 1miyA1 ASP 112 H -0.18 0.03 0.11 -0.55 8.40 7.82 1miyA1 ASP 112 HA -0.40 0.15 0.30 -0.75 4.63 3.92 1miyA1 ASP 112 HB2 -1.80 0.01 -0.01 -0.04 2.71 0.87 1miyA1 ASP 112 HB3 -0.38 0.05 0.09 -0.04 2.70 2.42 1miyA1 PHE 113 H -0.19 0.09 0.00 -0.55 8.34 7.70 1miyA1 PHE 113 HA -0.02 0.22 0.98 -0.75 4.62 5.04 1miyA1 PHE 113 HB2 -0.11 -0.15 -0.10 -0.04 3.15 2.74 1miyA1 PHE 113 HB3 -0.02 0.19 0.02 -0.04 3.06 3.21 1miyA1 PHE 113 HD2 -0.02 -0.02 -0.26 -0.04 7.28 6.94 1miyA1 PHE 113 HE2 0.36 0.00 -0.14 -0.04 7.38 7.56 1miyA1 PHE 113 HZ 0.22 0.40 0.08 -0.04 7.32 7.97 1miyA1 THR 114 H 0.16 0.54 0.20 -0.55 8.28 8.64 1miyA1 THR 114 HA 0.05 0.13 0.06 -0.75 4.39 3.87 1miyA1 THR 114 HB 0.09 -0.08 -0.28 -0.04 4.32 4.01 1miyA1 THR 114 HG23 0.10 0.05 -0.11 -0.04 1.22 1.22 1miyA1 MET 115 H 0.07 0.16 -0.05 -0.55 8.47 8.10 1miyA1 MET 115 HA 0.06 0.06 0.38 -0.75 4.52 4.26 1miyA1 MET 115 HB2 -0.07 0.03 -0.10 -0.04 2.15 1.97 1miyA1 MET 115 HB3 0.10 0.10 0.00 -0.04 2.03 2.19 1miyA1 MET 115 HG2 0.00 -0.09 0.01 -0.04 2.63 2.51 1miyA1 MET 115 HG3 -0.15 -0.04 -0.14 -0.04 2.56 2.19 1miyA1 MET 115 HE3 -0.83 0.00 -0.12 -0.04 2.10 1.11 1miyA1 ASN 116 H 0.01 0.20 -0.46 -0.55 8.53 7.74 1miyA1 ASN 116 HA 0.01 0.02 0.55 -0.75 4.76 4.59 1miyA1 ASN 116 HB2 -0.01 0.19 0.06 -0.04 2.88 3.09 1miyA1 ASN 116 HB3 0.01 -0.03 0.07 -0.04 2.79 2.80 1miyA1 ASN 116 HD21 -0.01 0.05 -0.05 -0.04 7.03 6.98 1miyA1 ASN 116 HD22 0.10 -0.01 0.00 -0.04 7.74 7.79 1miyA1 ALA 117 H 0.02 0.34 -0.32 -0.55 8.40 7.89 1miyA1 ALA 117 HA -0.02 0.18 0.56 -0.75 4.34 4.30 1miyA1 ALA 117 HB3 -0.10 -0.00 0.01 -0.04 1.41 1.28 1miyA1 ILE 118 H 0.05 0.11 -0.64 -0.55 8.25 7.22 1miyA1 ILE 118 HA 0.06 0.22 1.02 -0.75 4.18 4.73 1miyA1 ILE 118 HB 0.07 0.01 -0.09 -0.04 1.89 1.83 1miyA1 ILE 118 HG12 0.06 -0.17 -0.07 -0.04 1.49 1.27 1miyA1 ILE 118 HG13 0.06 0.07 -0.21 -0.04 1.21 1.08 1miyA1 ILE 118 HG23 0.05 0.01 -0.04 -0.04 0.93 0.91 1miyA1 ILE 118 HD13 0.06 0.00 -0.17 -0.04 0.88 0.73 1miyA1 ALA 119 H 0.05 0.30 0.23 -0.55 8.40 8.44 1miyA1 ALA 119 HA 0.14 0.30 0.69 -0.75 4.34 4.71 1miyA1 ALA 119 HB3 -0.01 0.01 0.02 -0.04 1.41 1.39 1miyA1 MET 120 H 0.24 0.51 0.28 -0.55 8.47 8.95 1miyA1 MET 120 HA 0.13 0.20 0.83 -0.75 4.52 4.93 1miyA1 MET 120 HB2 0.04 0.00 -0.15 -0.04 2.15 2.00 1miyA1 MET 120 HB3 0.13 -0.01 0.02 -0.04 2.03 2.12 1miyA1 MET 120 HG2 0.11 0.06 -0.21 -0.04 2.63 2.55 1miyA1 MET 120 HG3 0.02 0.00 -0.35 -0.04 2.56 2.18 1miyA1 MET 120 HE3 -0.17 0.04 -0.07 -0.04 2.10 1.85 1miyA1 ASP 121 H 0.17 0.30 0.22 -0.55 8.40 8.54 1miyA1 ASP 121 HA 0.10 0.23 0.77 -0.75 4.63 4.98 1miyA1 ASP 121 HB2 0.18 0.06 0.18 -0.04 2.71 3.09 1miyA1 ASP 121 HB3 0.29 0.11 0.13 -0.04 2.70 3.20 1miyA1 GLU 122 H -0.20 0.23 0.21 -0.55 8.60 8.30 1miyA1 GLU 122 HA -0.18 0.09 0.17 -0.75 4.29 3.62 1miyA1 GLU 122 HB2 -0.32 0.06 0.15 -0.04 2.09 1.93 1miyA1 GLU 122 HB3 -0.34 0.00 0.17 -0.04 1.99 1.79 1miyA1 GLU 122 HG2 -0.59 -0.02 0.03 -0.04 2.34 1.71 1miyA1 GLU 122 HG3 -1.65 0.03 -0.26 -0.04 2.34 0.42 1miyA1 TYR 123 H 0.07 -0.22 -1.28 -0.55 8.29 6.32 1miyA1 TYR 123 HA 0.03 0.21 0.66 -0.75 4.56 4.71 1miyA1 TYR 123 HB2 0.03 -0.12 -0.03 -0.04 3.06 2.90 1miyA1 TYR 123 HB3 0.02 0.06 -0.01 -0.04 2.98 3.01 1miyA1 TYR 123 HD2 0.02 -0.01 -0.04 -0.04 7.15 7.07 1miyA1 TYR 123 HE2 -0.00 0.01 -0.03 -0.04 6.85 6.79 1miyA1 GLY 124 H 0.14 0.18 0.19 -0.55 8.43 8.39 1miyA1 GLY 124 HA2 0.03 0.01 0.23 -0.51 4.01 3.77 1miyA1 GLY 124 HA3 0.05 0.28 0.87 -0.51 4.01 4.70 1miyA1 THR 125 H 0.13 -0.08 0.17 -0.55 8.28 7.95 1miyA1 THR 125 HA 0.05 0.20 0.72 -0.75 4.39 4.61 1miyA1 THR 125 HB 0.10 -0.07 0.12 -0.04 4.32 4.43 1miyA1 THR 125 HG23 0.03 0.04 -0.03 -0.04 1.22 1.22 1miyA1 ILE 126 H 0.03 0.21 0.19 -0.55 8.25 8.13 1miyA1 ILE 126 HA 0.05 0.06 0.46 -0.75 4.18 3.99 1miyA1 ILE 126 HB 0.02 0.00 0.16 -0.04 1.89 2.04 1miyA1 ILE 126 HG12 0.01 0.09 0.04 -0.04 1.49 1.59 1miyA1 ILE 126 HG13 0.01 0.03 -0.02 -0.04 1.21 1.19 1miyA1 ILE 126 HG23 0.03 -0.03 -0.19 -0.04 0.93 0.70 1miyA1 ILE 126 HD13 0.00 -0.02 -0.17 -0.04 0.88 0.65 1miyA1 ILE 127 H 0.05 1.10 0.54 -0.55 8.25 9.39 1miyA1 ILE 127 HA 0.01 0.10 0.83 -0.75 4.18 4.36 1miyA1 ILE 127 HB -0.01 0.06 0.21 -0.04 1.89 2.11 1miyA1 ILE 127 HG12 0.01 -0.03 -0.03 -0.04 1.49 1.40 1miyA1 ILE 127 HG13 0.05 0.06 -0.26 -0.04 1.21 1.03 1miyA1 ILE 127 HG23 -0.09 -0.02 -0.08 -0.04 0.93 0.70 1miyA1 ILE 127 HD13 0.14 -0.04 -0.10 -0.04 0.88 0.84 1miyA1 ASP 128 H -0.00 0.28 0.04 -0.55 8.40 8.17 1miyA1 ASP 128 HA 0.04 0.33 1.15 -0.75 4.63 5.39 1miyA1 ASP 128 HB2 0.03 0.06 -0.03 -0.04 2.71 2.74 1miyA1 ASP 128 HB3 0.01 0.11 0.18 -0.04 2.70 2.96 1miyA1 PRO 129 HA -0.22 0.16 0.67 -0.51 4.44 4.54 1miyA1 PRO 129 HB2 -0.44 0.08 0.09 -0.04 2.28 1.97 1miyA1 PRO 129 HB3 -0.19 0.02 0.08 -0.04 2.02 1.90 1miyA1 PRO 129 HG2 0.10 0.05 -0.01 -0.04 2.03 2.12 1miyA1 PRO 129 HG3 -0.04 -0.01 -0.08 -0.04 2.03 1.86 1miyA1 PRO 129 HD2 0.22 0.26 0.12 -0.04 3.68 4.24 1miyA1 PRO 129 HD3 0.03 0.33 -0.23 -0.04 3.65 3.74 1miyA1 PHE 130 H 0.08 -0.09 -0.34 -0.55 8.34 7.44 1miyA1 PHE 130 HA -0.01 0.29 0.65 -0.75 4.62 4.79 1miyA1 PHE 130 HB2 -0.01 0.04 -0.05 -0.04 3.15 3.09 1miyA1 PHE 130 HB3 -0.01 -0.01 0.12 -0.04 3.06 3.12 1miyA1 PHE 130 HD2 -0.03 -0.06 -0.15 -0.04 7.28 7.00 1miyA1 PHE 130 HE2 -0.04 -0.05 -0.05 -0.04 7.38 7.20 1miyA1 PHE 130 HZ -0.04 -0.01 -0.02 -0.04 7.32 7.21 1miyA1 GLY 131 H 0.02 0.14 -0.03 -0.55 8.43 8.01 1miyA1 GLY 131 HA2 0.02 0.02 0.28 -0.51 4.01 3.81 1miyA1 GLY 131 HA3 0.03 0.21 0.42 -0.51 4.01 4.16 1miyA1 GLY 132 H 0.09 0.06 -0.28 -0.55 8.43 7.76 1miyA1 GLY 132 HA2 0.07 0.00 0.10 -0.51 4.01 3.68 1miyA1 GLY 132 HA3 0.07 0.19 0.09 -0.51 4.01 3.85 1miyA1 ARG 133 H 0.04 0.04 -0.14 -0.55 8.46 7.84 1miyA1 ARG 133 HA 0.04 0.11 0.18 -0.75 4.34 3.91 1miyA1 ARG 133 HB2 0.02 -0.06 0.08 -0.04 1.90 1.90 1miyA1 ARG 133 HB3 0.01 0.03 -0.03 -0.04 1.80 1.78 1miyA1 ARG 133 HG2 0.01 0.06 -0.04 -0.04 1.67 1.66 1miyA1 ARG 133 HG3 0.02 0.03 0.03 -0.04 1.67 1.71 1miyA1 ARG 133 HD2 0.01 0.07 -0.01 -0.04 3.22 3.26 1miyA1 ARG 133 HD3 0.02 -0.02 -0.02 -0.04 3.22 3.16 1miyA1 GLU 134 H 0.02 -0.06 -0.42 -0.55 8.60 7.60 1miyA1 GLU 134 HA -0.01 0.07 0.45 -0.75 4.29 4.05 1miyA1 GLU 134 HB2 0.00 -0.08 0.13 -0.04 2.09 2.10 1miyA1 GLU 134 HB3 -0.00 0.06 -0.02 -0.04 1.99 1.99 1miyA1 GLU 134 HG2 -0.01 -0.03 0.01 -0.04 2.34 2.27 1miyA1 GLU 134 HG3 -0.01 0.01 0.01 -0.04 2.34 2.31 1miyA1 ALA 135 H 0.02 0.67 0.03 -0.55 8.40 8.58 1miyA1 ALA 135 HA -0.02 -0.02 0.31 -0.75 4.34 3.85 1miyA1 ALA 135 HB3 0.06 0.07 0.17 -0.04 1.41 1.67 1miyA1 ILE 136 H 0.03 0.46 -0.48 -0.55 8.25 7.72 1miyA1 ILE 136 HA 0.06 -0.01 0.31 -0.75 4.18 3.79 1miyA1 ILE 136 HB 0.06 0.08 0.05 -0.04 1.89 2.04 1miyA1 ILE 136 HG12 0.27 -0.03 -0.05 -0.04 1.49 1.64 1miyA1 ILE 136 HG13 0.12 0.04 -0.06 -0.04 1.21 1.28 1miyA1 ILE 136 HG23 0.15 0.01 -0.13 -0.04 0.93 0.92 1miyA1 ILE 136 HD13 0.08 -0.02 -0.02 -0.04 0.88 0.89 1miyA1 ARG 137 H -0.02 0.38 0.07 -0.55 8.46 8.33 1miyA1 ARG 137 HA -0.04 0.07 0.44 -0.75 4.34 4.06 1miyA1 ARG 137 HB2 -0.02 0.02 0.18 -0.04 1.90 2.03 1miyA1 ARG 137 HB3 -0.04 -0.02 0.13 -0.04 1.80 1.83 1miyA1 ARG 137 HG2 -0.03 0.05 0.01 -0.04 1.67 1.65 1miyA1 ARG 137 HG3 -0.01 -0.00 0.05 -0.04 1.67 1.66 1miyA1 ARG 137 HD2 -0.02 -0.01 -0.02 -0.04 3.22 3.13 1miyA1 ARG 137 HD3 -0.01 -0.04 -0.00 -0.04 3.22 3.12 1miyA1 ARG 138 H -0.09 0.42 -0.19 -0.55 8.46 8.05 1miyA1 ARG 138 HA -0.11 0.04 0.43 -0.75 4.34 3.95 1miyA1 ARG 138 HB2 -0.09 0.04 -0.07 -0.04 1.90 1.75 1miyA1 ARG 138 HB3 -0.11 -0.03 -0.12 -0.04 1.80 1.50 1miyA1 ARG 138 HG2 -0.06 0.00 -0.05 -0.04 1.67 1.52 1miyA1 ARG 138 HG3 -0.05 -0.07 -0.07 -0.04 1.67 1.44 1miyA1 ARG 138 HD2 -0.06 0.06 -0.01 -0.04 3.22 3.17 1miyA1 ARG 138 HD3 -0.04 -0.03 -0.03 -0.04 3.22 3.08 1miyA1 ARG 139 H -0.35 0.11 -0.49 -0.55 8.46 7.17 1miyA1 ARG 139 HA -1.88 -0.06 0.36 -0.75 4.34 2.00 1miyA1 ARG 139 HB2 -0.43 0.11 0.30 -0.04 1.90 1.84 1miyA1 ARG 139 HB3 -0.98 -0.06 0.13 -0.04 1.80 0.85 1miyA1 ARG 139 HG2 -0.39 0.16 -0.03 -0.04 1.67 1.37 1miyA1 ARG 139 HG3 -0.26 0.07 -0.39 -0.04 1.67 1.05 1miyA1 ARG 139 HD2 -0.11 -0.05 -0.01 -0.04 3.22 3.01 1miyA1 ARG 139 HD3 -0.17 0.01 0.02 -0.04 3.22 3.03 1miyA1 ILE 140 H -0.28 0.44 0.07 -0.55 8.25 7.93 1miyA1 ILE 140 HA -0.04 0.25 0.82 -0.75 4.18 4.45 1miyA1 ILE 140 HB -0.05 -0.10 -0.05 -0.04 1.89 1.65 1miyA1 ILE 140 HG12 -0.10 0.16 -0.11 -0.04 1.49 1.40 1miyA1 ILE 140 HG13 -0.15 0.10 -0.76 -0.04 1.21 0.36 1miyA1 ILE 140 HG23 -0.01 -0.04 -0.41 -0.04 0.93 0.43 1miyA1 ILE 140 HD13 -0.05 -0.04 -0.12 -0.04 0.88 0.64 1miyA1 ILE 141 H 0.09 0.65 0.14 -0.55 8.25 8.58 1miyA1 ILE 141 HA -0.03 -0.02 0.67 -0.75 4.18 4.06 1miyA1 ILE 141 HB -0.08 0.03 0.14 -0.04 1.89 1.94 1miyA1 ILE 141 HG12 -0.18 -0.06 -0.10 -0.04 1.49 1.12 1miyA1 ILE 141 HG13 0.19 -0.00 -0.14 -0.04 1.21 1.21 1miyA1 ILE 141 HG23 -0.56 -0.01 -0.06 -0.04 0.93 0.26 1miyA1 ILE 141 HD13 -0.00 0.05 -0.22 -0.04 0.88 0.67 1miyA1 ARG 142 H 0.05 0.18 0.21 -0.55 8.46 8.35 1miyA1 ARG 142 HA 0.04 0.16 1.18 -0.75 4.34 4.97 1miyA1 ARG 142 HB2 0.03 0.03 -0.11 -0.04 1.90 1.80 1miyA1 ARG 142 HB3 0.06 0.02 0.04 -0.04 1.80 1.87 1miyA1 ARG 142 HG2 0.05 0.22 0.04 -0.04 1.67 1.94 1miyA1 ARG 142 HG3 0.04 -0.15 0.16 -0.04 1.67 1.67 1miyA1 ARG 142 HD2 0.02 0.02 0.02 -0.04 3.22 3.24 1miyA1 ARG 142 HD3 0.02 -0.08 0.01 -0.04 3.22 3.13 1miyA1 THR 143 H 0.10 0.04 0.17 -0.55 8.28 8.03 1miyA1 THR 143 HA 0.32 0.19 0.54 -0.75 4.39 4.68 1miyA1 THR 143 HB -0.01 -0.02 0.08 -0.04 4.32 4.33 1miyA1 THR 143 HG23 -0.12 0.02 -0.42 -0.04 1.22 0.66 1miyA1 VAL 144 H -0.04 0.57 0.20 -0.55 8.24 8.42 1miyA1 VAL 144 HA -0.01 0.02 0.74 -0.75 4.13 4.13 1miyA1 VAL 144 HB -0.18 0.28 0.08 -0.04 2.12 2.26 1miyA1 VAL 144 HG13 -0.45 -0.01 -0.13 -0.04 0.97 0.34 1miyA1 VAL 144 HG23 -0.10 -0.03 -0.40 -0.04 0.95 0.38 1miyA1 GLY 145 H 0.02 0.19 0.09 -0.55 8.43 8.19 1miyA1 GLY 145 HA2 0.01 -0.01 0.30 -0.51 4.01 3.80 1miyA1 GLY 145 HA3 -0.03 0.24 0.81 -0.51 4.01 4.51 1miyA1 GLU 146 H -0.04 0.17 0.08 -0.55 8.60 8.26 1miyA1 GLU 146 HA -0.05 0.04 0.40 -0.75 4.29 3.92 1miyA1 GLU 146 HB2 -0.03 0.10 0.14 -0.04 2.09 2.25 1miyA1 GLU 146 HB3 -0.05 0.01 0.19 -0.04 1.99 2.09 1miyA1 GLU 146 HG2 -0.04 0.12 0.06 -0.04 2.34 2.43 1miyA1 GLU 146 HG3 -0.07 -0.33 -0.04 -0.04 2.34 1.85 1miyA1 ALA 147 H -0.10 0.17 0.19 -0.55 8.40 8.11 1miyA1 ALA 147 HA -0.42 0.11 0.39 -0.75 4.34 3.67 1miyA1 ALA 147 HB3 -0.20 0.02 0.09 -0.04 1.41 1.29 1miyA1 GLU 148 H -0.13 0.01 -0.24 -0.55 8.60 7.69 1miyA1 GLU 148 HA -0.06 0.16 0.41 -0.75 4.29 4.05 1miyA1 GLU 148 HB2 -0.05 -0.11 0.09 -0.04 2.09 1.99 1miyA1 GLU 148 HB3 -0.02 0.09 -0.02 -0.04 1.99 2.00 1miyA1 GLU 148 HG2 -0.02 -0.01 0.03 -0.04 2.34 2.30 1miyA1 GLU 148 HG3 -0.02 -0.03 0.04 -0.04 2.34 2.29 1miyA1 LYS 149 H -0.09 0.02 -0.13 -0.55 8.42 7.67 1miyA1 LYS 149 HA -0.03 0.06 0.22 -0.75 4.32 3.81 1miyA1 LYS 149 HB2 -0.04 -0.09 0.12 -0.04 1.87 1.81 1miyA1 LYS 149 HB3 -0.06 0.09 0.05 -0.04 1.79 1.83 1miyA1 LYS 149 HG2 -0.03 0.03 0.01 -0.04 1.46 1.43 1miyA1 LYS 149 HG3 -0.03 -0.02 0.03 -0.04 1.46 1.41 1miyA1 LYS 149 HD2 -0.03 -0.05 0.02 -0.04 1.69 1.59 1miyA1 LYS 149 HD3 -0.04 0.05 -0.02 -0.04 1.68 1.63 1miyA1 LYS 149 HE2 -0.03 0.06 -0.02 -0.04 2.99 2.97 1miyA1 LYS 149 HE3 -0.02 -0.01 -0.00 -0.04 2.99 2.92 1miyA1 ARG 150 H -0.17 0.44 -0.32 -0.55 8.46 7.86 1miyA1 ARG 150 HA -0.06 0.09 0.39 -0.75 4.34 4.01 1miyA1 ARG 150 HB2 -0.30 -0.00 -0.00 -0.04 1.90 1.56 1miyA1 ARG 150 HB3 -0.11 -0.01 -0.07 -0.04 1.80 1.58 1miyA1 ARG 150 HG2 -0.10 -0.10 -0.08 -0.04 1.67 1.35 1miyA1 ARG 150 HG3 -0.14 -0.03 -0.32 -0.04 1.67 1.14 1miyA1 ARG 150 HD2 -0.14 0.16 -0.01 -0.04 3.22 3.19 1miyA1 ARG 150 HD3 -0.15 -0.09 -0.02 -0.04 3.22 2.92 1miyA1 PHE 151 H -0.22 0.47 -0.17 -0.55 8.34 7.87 1miyA1 PHE 151 HA 0.00 0.05 0.34 -0.75 4.62 4.26 1miyA1 PHE 151 HB2 0.01 0.12 0.04 -0.04 3.15 3.28 1miyA1 PHE 151 HB3 0.01 -0.02 0.00 -0.04 3.06 3.01 1miyA1 PHE 151 HD2 0.04 0.02 -0.24 -0.04 7.28 7.05 1miyA1 PHE 151 HE2 0.17 0.00 -0.20 -0.04 7.38 7.31 1miyA1 PHE 151 HZ 0.16 -0.07 -0.09 -0.04 7.32 7.27 1miyA1 ARG 152 H 0.06 0.31 -0.43 -0.55 8.46 7.85 1miyA1 ARG 152 HA 0.03 0.06 0.65 -0.75 4.34 4.32 1miyA1 ARG 152 HB2 0.00 0.14 0.11 -0.04 1.90 2.11 1miyA1 ARG 152 HB3 -0.00 -0.04 0.05 -0.04 1.80 1.76 1miyA1 ARG 152 HG2 0.03 -0.00 -0.03 -0.04 1.67 1.62 1miyA1 ARG 152 HG3 0.03 0.13 -0.09 -0.04 1.67 1.69 1miyA1 ARG 152 HD2 -0.00 -0.02 -0.04 -0.04 3.22 3.12 1miyA1 ARG 152 HD3 -0.00 -0.00 -0.01 -0.04 3.22 3.16 1miyA1 GLU 153 H 0.02 0.23 -0.24 -0.55 8.60 8.07 1miyA1 GLU 153 HA -0.01 0.06 0.52 -0.75 4.29 4.11 1miyA1 GLU 153 HB2 -0.02 0.00 0.10 -0.04 2.09 2.13 1miyA1 GLU 153 HB3 -0.01 0.12 0.13 -0.04 1.99 2.19 1miyA1 GLU 153 HG2 -0.02 -0.05 0.04 -0.04 2.34 2.27 1miyA1 GLU 153 HG3 -0.02 -0.03 0.09 -0.04 2.34 2.34 1miyA1 ASP 154 H 0.06 0.21 -0.48 -0.55 8.40 7.64 1miyA1 ASP 154 HA 0.01 0.04 0.25 -0.75 4.63 4.18 1miyA1 ASP 154 HB2 -0.00 0.26 0.14 -0.04 2.71 3.07 1miyA1 ASP 154 HB3 0.02 -0.01 0.02 -0.04 2.70 2.68 1miyA1 ALA 155 H 0.02 0.23 0.03 -0.55 8.40 8.13 1miyA1 ALA 155 HA 0.02 0.22 0.28 -0.75 4.34 4.11 1miyA1 ALA 155 HB3 -0.00 0.00 -0.05 -0.04 1.41 1.32 1miyA1 LEU 156 H 0.01 0.11 -0.30 -0.55 8.37 7.64 1miyA1 LEU 156 HA -0.01 0.03 0.30 -0.75 4.35 3.92 1miyA1 LEU 156 HB2 0.01 0.03 0.04 -0.04 1.64 1.68 1miyA1 LEU 156 HB3 0.01 0.04 -0.02 -0.04 1.64 1.63 1miyA1 LEU 156 HG 0.01 -0.08 -0.10 -0.04 1.64 1.43 1miyA1 LEU 156 HD13 0.02 0.01 -0.05 -0.04 0.93 0.87 1miyA1 LEU 156 HD23 0.01 0.01 -0.08 -0.04 0.89 0.80 1miyA1 ARG 157 H 0.03 0.81 -0.37 -0.55 8.46 8.38 1miyA1 ARG 157 HA 0.11 -0.08 0.18 -0.75 4.34 3.79 1miyA1 ARG 157 HB2 0.17 0.38 0.05 -0.04 1.90 2.46 1miyA1 ARG 157 HB3 0.35 -0.07 -0.09 -0.04 1.80 1.96 1miyA1 ARG 157 HG2 -0.20 -0.10 0.01 -0.04 1.67 1.34 1miyA1 ARG 157 HG3 -0.01 -0.10 0.02 -0.04 1.67 1.53 1miyA1 ARG 157 HD2 0.02 0.07 0.02 -0.04 3.22 3.28 1miyA1 ARG 157 HD3 0.01 0.09 -0.08 -0.04 3.22 3.21 1miyA1 MET 158 H -0.15 0.52 -0.74 -0.55 8.47 7.55 1miyA1 MET 158 HA -0.29 0.04 0.51 -0.75 4.52 4.02 1miyA1 MET 158 HB2 -0.26 0.09 0.11 -0.04 2.15 2.05 1miyA1 MET 158 HB3 -0.28 -0.03 -0.05 -0.04 2.03 1.62 1miyA1 MET 158 HG2 -1.99 -0.08 -0.09 -0.04 2.63 0.43 1miyA1 MET 158 HG3 -1.02 0.10 -0.02 -0.04 2.56 1.58 1miyA1 MET 158 HE3 -0.18 0.08 -0.10 -0.04 2.10 1.86 1miyA1 MET 159 H -0.06 0.21 0.09 -0.55 8.47 8.16 1miyA1 MET 159 HA -0.01 0.06 0.38 -0.75 4.52 4.19 1miyA1 MET 159 HB2 0.00 0.13 0.19 -0.04 2.15 2.43 1miyA1 MET 159 HB3 0.01 -0.03 -0.03 -0.04 2.03 1.93 1miyA1 MET 159 HG2 0.02 0.02 0.07 -0.04 2.63 2.70 1miyA1 MET 159 HG3 0.05 0.01 0.06 -0.04 2.56 2.64 1miyA1 MET 159 HE3 0.17 -0.04 0.03 -0.04 2.10 2.22 1miyA1 ARG 160 H 0.04 0.33 -0.59 -0.55 8.46 7.69 1miyA1 ARG 160 HA -0.11 0.00 0.22 -0.75 4.34 3.70 1miyA1 ARG 160 HB2 0.06 -0.03 -0.12 -0.04 1.90 1.77 1miyA1 ARG 160 HB3 -0.08 0.01 -0.03 -0.04 1.80 1.65 1miyA1 ARG 160 HG2 0.07 0.22 -0.13 -0.04 1.67 1.79 1miyA1 ARG 160 HG3 0.28 0.22 -0.06 -0.04 1.67 2.06 1miyA1 ARG 160 HD2 0.04 -0.01 -0.14 -0.04 3.22 3.07 1miyA1 ARG 160 HD3 0.07 -0.03 -0.31 -0.04 3.22 2.92 1miyA1 ALA 161 H 0.22 0.47 -0.04 -0.55 8.40 8.50 1miyA1 ALA 161 HA -0.14 -0.07 0.47 -0.75 4.34 3.84 1miyA1 ALA 161 HB3 0.01 0.05 0.10 -0.04 1.41 1.53 1miyA1 VAL 162 H -0.00 0.50 -0.47 -0.55 8.24 7.71 1miyA1 VAL 162 HA -0.01 0.05 0.50 -0.75 4.13 3.92 1miyA1 VAL 162 HB -0.02 0.20 0.06 -0.04 2.12 2.31 1miyA1 VAL 162 HG13 -0.02 -0.02 -0.11 -0.04 0.97 0.77 1miyA1 VAL 162 HG23 -0.01 0.02 -0.14 -0.04 0.95 0.77 1miyA1 ARG 163 H -0.07 0.43 0.18 -0.55 8.46 8.45 1miyA1 ARG 163 HA -0.10 0.06 0.61 -0.75 4.34 4.15 1miyA1 ARG 163 HB2 -0.14 -0.01 0.10 -0.04 1.90 1.80 1miyA1 ARG 163 HB3 -0.16 -0.01 0.09 -0.04 1.80 1.68 1miyA1 ARG 163 HG2 -0.44 0.06 -0.53 -0.04 1.67 0.72 1miyA1 ARG 163 HG3 -0.22 -0.00 -0.19 -0.04 1.67 1.21 1miyA1 ARG 163 HD2 -0.22 0.03 -0.02 -0.04 3.22 2.97 1miyA1 ARG 163 HD3 -0.37 -0.06 -0.03 -0.04 3.22 2.72 1miyA1 PHE 164 H -0.07 1.03 -0.07 -0.55 8.34 8.68 1miyA1 PHE 164 HA -0.07 -0.01 0.33 -0.75 4.62 4.12 1miyA1 PHE 164 HB2 -0.14 0.20 0.11 -0.04 3.15 3.29 1miyA1 PHE 164 HB3 -0.17 -0.07 -0.06 -0.04 3.06 2.73 1miyA1 PHE 164 HD2 -0.03 0.02 -0.15 -0.04 7.28 7.08 1miyA1 PHE 164 HE2 0.15 -0.02 -0.09 -0.04 7.38 7.38 1miyA1 PHE 164 HZ 0.07 -0.04 -0.06 -0.04 7.32 7.25 1miyA1 VAL 165 H 0.05 0.31 -0.52 -0.55 8.24 7.53 1miyA1 VAL 165 HA 0.03 -0.09 0.33 -0.75 4.13 3.65 1miyA1 VAL 165 HB 0.00 0.18 0.04 -0.04 2.12 2.31 1miyA1 VAL 165 HG13 0.00 0.06 0.02 -0.04 0.97 1.01 1miyA1 VAL 165 HG23 0.01 -0.03 0.11 -0.04 0.95 1.00 1miyA1 SER 166 H -0.00 0.27 -0.41 -0.55 8.46 7.77 1miyA1 SER 166 HA 0.08 0.01 0.27 -0.75 4.49 4.10 1miyA1 SER 166 HB2 -0.08 -0.05 0.12 -0.04 3.95 3.90 1miyA1 SER 166 HB3 -0.07 0.10 0.23 -0.04 3.93 4.16 1miyA1 GLU 167 H 0.04 0.46 -0.08 -0.55 8.60 8.48 1miyA1 GLU 167 HA 0.04 0.07 0.35 -0.75 4.29 4.00 1miyA1 GLU 167 HB2 -0.02 0.05 0.01 -0.04 2.09 2.09 1miyA1 GLU 167 HB3 0.08 -0.05 -0.07 -0.04 1.99 1.91 1miyA1 GLU 167 HG2 -0.00 0.05 -0.02 -0.04 2.34 2.32 1miyA1 GLU 167 HG3 -0.06 0.05 -0.14 -0.04 2.34 2.15 1miyA1 LEU 168 H 0.07 0.50 0.04 -0.55 8.37 8.43 1miyA1 LEU 168 HA 0.09 0.22 0.87 -0.75 4.35 4.78 1miyA1 LEU 168 HB2 -0.43 -0.07 -0.05 -0.04 1.64 1.05 1miyA1 LEU 168 HB3 -0.46 0.02 -0.09 -0.04 1.64 1.07 1miyA1 LEU 168 HG 0.02 -0.04 -0.13 -0.04 1.64 1.44 1miyA1 LEU 168 HD13 -0.58 -0.04 -0.11 -0.04 0.93 0.16 1miyA1 LEU 168 HD23 -0.07 0.02 -0.15 -0.04 0.89 0.66 1miyA1 GLY 169 H 0.03 0.10 0.02 -0.55 8.43 8.03 1miyA1 GLY 169 HA2 -0.56 0.17 0.34 -0.51 4.01 3.45 1miyA1 GLY 169 HA3 -1.10 0.13 0.69 -0.51 4.01 3.22 1miyA1 PHE 170 H 0.11 -0.07 0.05 -0.55 8.34 7.88 1miyA1 PHE 170 HA -0.11 0.31 0.68 -0.75 4.62 4.75 1miyA1 PHE 170 HB2 -0.06 -0.11 -0.14 -0.04 3.15 2.79 1miyA1 PHE 170 HB3 -0.08 -0.04 -0.16 -0.04 3.06 2.75 1miyA1 PHE 170 HD2 -0.08 -0.03 -0.65 -0.04 7.28 6.48 1miyA1 PHE 170 HE2 -0.03 0.01 -0.17 -0.04 7.38 7.15 1miyA1 PHE 170 HZ -0.01 -0.00 -0.05 -0.04 7.32 7.22 1miyA1 ALA 171 H -0.03 0.50 0.28 -0.55 8.40 8.60 1miyA1 ALA 171 HA -0.00 0.19 0.89 -0.75 4.34 4.66 1miyA1 ALA 171 HB3 -0.04 0.02 0.12 -0.04 1.41 1.47 1miyA1 LEU 172 H 0.00 0.17 0.13 -0.55 8.37 8.12 1miyA1 LEU 172 HA -0.01 0.12 0.74 -0.75 4.35 4.45 1miyA1 LEU 172 HB2 0.01 0.02 0.06 -0.04 1.64 1.69 1miyA1 LEU 172 HB3 0.02 -0.07 -0.00 -0.04 1.64 1.55 1miyA1 LEU 172 HG 0.00 0.06 -0.05 -0.04 1.64 1.62 1miyA1 LEU 172 HD13 0.02 -0.00 -0.10 -0.04 0.93 0.81 1miyA1 LEU 172 HD23 -0.04 0.02 -0.08 -0.04 0.89 0.74 1miyA1 ALA 173 H 0.01 0.35 0.21 -0.55 8.40 8.41 1miyA1 ALA 173 HA 0.00 0.26 0.59 -0.75 4.34 4.43 1miyA1 ALA 173 HB3 0.02 -0.01 0.09 -0.04 1.41 1.47 1miyA1 PRO 174 HA 0.02 0.12 0.37 -0.51 4.44 4.44 1miyA1 PRO 174 HB2 0.01 -0.06 0.12 -0.04 2.28 2.31 1miyA1 PRO 174 HB3 0.01 0.09 0.09 -0.04 2.02 2.17 1miyA1 PRO 174 HG2 0.00 0.05 0.11 -0.04 2.03 2.15 1miyA1 PRO 174 HG3 0.00 0.13 0.12 -0.04 2.03 2.24 1miyA1 PRO 174 HD2 0.00 0.06 0.23 -0.04 3.68 3.92 1miyA1 PRO 174 HD3 -0.00 0.34 0.27 -0.04 3.65 4.21 1miyA1 ASP 175 H 0.01 0.15 -0.09 -0.55 8.40 7.93 1miyA1 ASP 175 HA 0.02 0.12 0.48 -0.75 4.63 4.49 1miyA1 ASP 175 HB2 0.00 -0.02 -0.01 -0.04 2.71 2.64 1miyA1 ASP 175 HB3 0.01 0.06 0.10 -0.04 2.70 2.83 1miyA1 THR 176 H 0.03 0.14 -0.38 -0.55 8.28 7.52 1miyA1 THR 176 HA 0.05 0.02 0.54 -0.75 4.39 4.25 1miyA1 THR 176 HB 0.05 0.07 0.29 -0.04 4.32 4.69 1miyA1 THR 176 HG23 0.18 0.04 -0.08 -0.04 1.22 1.32 1miyA1 GLU 177 H 0.06 0.83 0.04 -0.55 8.60 8.99 1miyA1 GLU 177 HA 0.08 0.03 0.35 -0.75 4.29 4.00 1miyA1 GLU 177 HB2 0.04 -0.04 -0.04 -0.04 2.09 2.00 1miyA1 GLU 177 HB3 0.04 0.06 0.02 -0.04 1.99 2.07 1miyA1 GLU 177 HG2 0.04 0.02 -0.22 -0.04 2.34 2.13 1miyA1 GLU 177 HG3 0.04 -0.04 -0.08 -0.04 2.34 2.22 1miyA1 GLN 178 H 0.05 0.54 -0.15 -0.55 8.47 8.37 1miyA1 GLN 178 HA 0.05 0.04 0.39 -0.75 4.36 4.08 1miyA1 GLN 178 HB2 0.04 0.08 0.18 -0.04 2.15 2.41 1miyA1 GLN 178 HB3 0.04 -0.02 0.01 -0.04 2.02 2.01 1miyA1 GLN 178 HG2 0.03 0.03 0.06 -0.04 2.40 2.48 1miyA1 GLN 178 HG3 0.03 -0.04 0.01 -0.04 2.39 2.35 1miyA1 GLN 178 HE21 0.03 0.01 -0.01 -0.04 6.97 6.96 1miyA1 GLN 178 HE22 0.02 -0.02 -0.01 -0.04 7.69 7.65 1miyA1 ALA 179 H 0.09 0.42 -0.25 -0.55 8.40 8.12 1miyA1 ALA 179 HA 0.10 -0.06 0.21 -0.75 4.34 3.83 1miyA1 ALA 179 HB3 0.09 0.05 0.01 -0.04 1.41 1.51 1miyA1 ILE 180 H 0.19 0.44 -0.67 -0.55 8.25 7.66 1miyA1 ILE 180 HA 0.04 0.02 0.32 -0.75 4.18 3.81 1miyA1 ILE 180 HB 0.06 0.24 0.20 -0.04 1.89 2.35 1miyA1 ILE 180 HG12 -0.26 -0.07 -0.04 -0.04 1.49 1.07 1miyA1 ILE 180 HG13 0.32 0.03 -0.05 -0.04 1.21 1.47 1miyA1 ILE 180 HG23 -0.06 -0.04 -0.16 -0.04 0.93 0.63 1miyA1 ILE 180 HD13 0.08 -0.03 -0.09 -0.04 0.88 0.80 1miyA1 VAL 181 H 0.06 0.49 0.18 -0.55 8.24 8.42 1miyA1 VAL 181 HA 0.04 -0.20 0.54 -0.75 4.13 3.76 1miyA1 VAL 181 HB 0.05 0.03 0.15 -0.04 2.12 2.31 1miyA1 VAL 181 HG13 0.05 0.01 0.04 -0.04 0.97 1.03 1miyA1 VAL 181 HG23 0.04 0.02 0.18 -0.04 0.95 1.15 1miyA1 GLN 182 H 0.06 0.43 -0.22 -0.55 8.47 8.19 1miyA1 GLN 182 HA 0.04 0.05 0.42 -0.75 4.36 4.11 1miyA1 GLN 182 HB2 0.06 0.03 -0.01 -0.04 2.15 2.20 1miyA1 GLN 182 HB3 0.04 -0.03 -0.04 -0.04 2.02 1.96 1miyA1 GLN 182 HG2 0.03 0.01 0.00 -0.04 2.40 2.41 1miyA1 GLN 182 HG3 0.04 0.01 -0.05 -0.04 2.39 2.35 1miyA1 GLN 182 HE21 0.02 -0.03 -0.03 -0.04 6.97 6.89 1miyA1 GLN 182 HE22 0.03 0.01 -0.04 -0.04 7.69 7.65 1miyA1 ASN 183 H 0.07 0.48 -0.20 -0.55 8.53 8.34 1miyA1 ASN 183 HA 0.02 0.14 0.86 -0.75 4.76 5.02 1miyA1 ASN 183 HB2 0.20 0.16 0.10 -0.04 2.88 3.29 1miyA1 ASN 183 HB3 0.09 -0.08 0.13 -0.04 2.79 2.89 1miyA1 ASN 183 HD21 0.07 -0.16 -0.01 -0.04 7.03 6.89 1miyA1 ASN 183 HD22 0.21 0.11 0.02 -0.04 7.74 8.04 1miyA1 ALA 184 H -0.03 0.26 -0.40 -0.55 8.40 7.69 1miyA1 ALA 184 HA -0.17 -0.05 0.28 -0.75 4.34 3.64 1miyA1 ALA 184 HB3 -0.06 0.03 0.04 -0.04 1.41 1.38 1miyA1 PRO 185 HA -1.01 0.07 0.30 -0.51 4.44 3.28 1miyA1 PRO 185 HB2 -0.05 0.02 -0.00 -0.04 2.28 2.20 1miyA1 PRO 185 HB3 -0.03 -0.01 0.07 -0.04 2.02 2.01 1miyA1 PRO 185 HG2 -0.01 0.04 0.03 -0.04 2.03 2.04 1miyA1 PRO 185 HG3 -0.00 0.04 0.05 -0.04 2.03 2.07 1miyA1 PRO 185 HD2 -0.08 0.06 -0.44 -0.04 3.68 3.18 1miyA1 PRO 185 HD3 -0.10 0.16 -0.02 -0.04 3.65 3.66 1miyA1 LEU 186 H -0.12 0.50 -0.31 -0.55 8.37 7.90 1miyA1 LEU 186 HA 0.17 -0.02 0.13 -0.75 4.35 3.87 1miyA1 LEU 186 HB2 -0.02 0.06 0.06 -0.04 1.64 1.69 1miyA1 LEU 186 HB3 0.02 -0.06 0.15 -0.04 1.64 1.71 1miyA1 LEU 186 HG -0.02 0.15 0.10 -0.04 1.64 1.83 1miyA1 LEU 186 HD13 0.05 0.00 -0.03 -0.04 0.93 0.91 1miyA1 LEU 186 HD23 0.00 -0.03 0.02 -0.04 0.89 0.85 1miyA1 LEU 187 H -0.20 0.43 -0.55 -0.55 8.37 7.51 1miyA1 LEU 187 HA -0.02 -0.08 0.43 -0.75 4.35 3.92 1miyA1 LEU 187 HB2 -0.13 0.17 0.10 -0.04 1.64 1.73 1miyA1 LEU 187 HB3 0.00 0.02 -0.09 -0.04 1.64 1.54 1miyA1 LEU 187 HG -0.12 0.15 0.01 -0.04 1.64 1.64 1miyA1 LEU 187 HD13 0.03 -0.01 -0.05 -0.04 0.93 0.87 1miyA1 LEU 187 HD23 -0.05 -0.07 -0.10 -0.04 0.89 0.63 1miyA1 ALA 188 H -0.06 0.48 0.10 -0.55 8.40 8.38 1miyA1 ALA 188 HA -0.04 0.09 0.39 -0.75 4.34 4.03 1miyA1 ALA 188 HB3 -0.07 0.00 0.12 -0.04 1.41 1.41 1miyA1 HIS 189 H -0.01 0.23 -0.75 -0.55 8.41 7.34 1miyA1 HIS 189 HA -0.01 0.07 0.62 -0.75 4.63 4.55 1miyA1 HIS 189 HB2 -0.02 0.24 0.09 -0.04 3.26 3.53 1miyA1 HIS 189 HB3 -0.01 -0.08 0.10 -0.04 3.20 3.17 1miyA1 HIS 189 HD2 -0.03 0.02 -0.04 -0.04 6.97 6.87 1miyA1 HIS 189 HE1 -0.00 -0.03 -0.03 -0.04 7.75 7.64 1miyA1 ILE 190 H 0.02 0.89 -0.01 -0.55 8.25 8.60 1miyA1 ILE 190 HA 0.02 0.04 0.82 -0.75 4.18 4.31 1miyA1 ILE 190 HB 0.01 0.15 0.17 -0.04 1.89 2.17 1miyA1 ILE 190 HG12 0.03 0.17 0.05 -0.04 1.49 1.71 1miyA1 ILE 190 HG13 0.01 -0.19 -0.00 -0.04 1.21 0.99 1miyA1 ILE 190 HG23 0.01 -0.00 -0.11 -0.04 0.93 0.79 1miyA1 ILE 190 HD13 0.02 -0.00 -0.06 -0.04 0.88 0.79 1miyA1 SER 191 H 0.00 0.12 0.15 -0.55 8.46 8.19 1miyA1 SER 191 HA -0.02 0.09 0.34 -0.75 4.49 4.15 1miyA1 SER 191 HB2 -0.01 -0.07 0.08 -0.04 3.95 3.92 1miyA1 SER 191 HB3 -0.00 0.12 0.16 -0.04 3.93 4.16 1miyA1 VAL 192 H -0.04 0.18 0.19 -0.55 8.24 8.02 1miyA1 VAL 192 HA -0.07 0.14 0.46 -0.75 4.13 3.91 1miyA1 VAL 192 HB -0.05 -0.10 0.12 -0.04 2.12 2.05 1miyA1 VAL 192 HG13 -0.14 0.11 -0.05 -0.04 0.97 0.85 1miyA1 VAL 192 HG23 -0.11 0.03 0.13 -0.04 0.95 0.95 1miyA1 GLU 193 H -0.01 0.10 -0.10 -0.55 8.60 8.05 1miyA1 GLU 193 HA 0.03 0.16 0.34 -0.75 4.29 4.07 1miyA1 GLU 193 HB2 0.00 -0.08 0.05 -0.04 2.09 2.03 1miyA1 GLU 193 HB3 0.01 0.03 -0.03 -0.04 1.99 1.97 1miyA1 GLU 193 HG2 0.00 0.02 0.04 -0.04 2.34 2.36 1miyA1 GLU 193 HG3 0.00 0.10 0.08 -0.04 2.34 2.49 1miyA1 ARG 194 H 0.02 0.17 -0.51 -0.55 8.46 7.59 1miyA1 ARG 194 HA 0.03 0.00 0.25 -0.75 4.34 3.87 1miyA1 ARG 194 HB2 0.01 0.19 0.05 -0.04 1.90 2.10 1miyA1 ARG 194 HB3 0.02 -0.03 -0.03 -0.04 1.80 1.72 1miyA1 ARG 194 HG2 0.01 -0.02 -0.04 -0.04 1.67 1.57 1miyA1 ARG 194 HG3 0.00 -0.03 0.01 -0.04 1.67 1.61 1miyA1 ARG 194 HD2 0.00 -0.01 -0.02 -0.04 3.22 3.15 1miyA1 ARG 194 HD3 -0.01 0.01 -0.01 -0.04 3.22 3.17 1miyA1 MET 195 H 0.05 0.42 -0.10 -0.55 8.47 8.30 1miyA1 MET 195 HA 0.09 -0.03 0.46 -0.75 4.52 4.29 1miyA1 MET 195 HB2 0.05 0.08 0.15 -0.04 2.15 2.39 1miyA1 MET 195 HB3 0.11 -0.08 0.08 -0.04 2.03 2.10 1miyA1 MET 195 HG2 0.02 -0.10 -0.02 -0.04 2.63 2.48 1miyA1 MET 195 HG3 -0.01 0.19 -0.07 -0.04 2.56 2.64 1miyA1 MET 195 HE3 -0.11 0.01 -0.03 -0.04 2.10 1.94 1miyA1 THR 196 H 0.18 0.64 -0.15 -0.55 8.28 8.40 1miyA1 THR 196 HA 0.62 -0.01 0.27 -0.75 4.39 4.52 1miyA1 THR 196 HB 0.17 0.11 0.17 -0.04 4.32 4.73 1miyA1 THR 196 HG23 0.23 -0.03 -0.13 -0.04 1.22 1.25 1miyA1 MET 197 H 0.11 0.43 -0.06 -0.55 8.47 8.40 1miyA1 MET 197 HA 0.07 0.02 0.27 -0.75 4.52 4.13 1miyA1 MET 197 HB2 0.03 0.07 0.00 -0.04 2.15 2.22 1miyA1 MET 197 HB3 0.02 -0.03 -0.02 -0.04 2.03 1.96 1miyA1 MET 197 HG2 0.04 -0.03 0.02 -0.04 2.63 2.62 1miyA1 MET 197 HG3 0.05 0.22 0.06 -0.04 2.56 2.85 1miyA1 MET 197 HE3 0.01 0.01 -0.04 -0.04 2.10 2.04 1miyA1 GLU 198 H 0.07 0.33 -0.46 -0.55 8.60 8.00 1miyA1 GLU 198 HA -0.04 0.02 0.51 -0.75 4.29 4.02 1miyA1 GLU 198 HB2 0.05 0.20 0.16 -0.04 2.09 2.47 1miyA1 GLU 198 HB3 -0.02 -0.09 -0.06 -0.04 1.99 1.78 1miyA1 GLU 198 HG2 0.00 0.04 -0.01 -0.04 2.34 2.33 1miyA1 GLU 198 HG3 0.01 -0.00 -0.01 -0.04 2.34 2.29 1miyA1 MET 199 H 0.13 0.70 0.06 -0.55 8.47 8.82 1miyA1 MET 199 HA -0.08 -0.03 0.36 -0.75 4.52 4.02 1miyA1 MET 199 HB2 0.21 0.00 0.10 -0.04 2.15 2.42 1miyA1 MET 199 HB3 -0.06 0.14 0.16 -0.04 2.03 2.23 1miyA1 MET 199 HG2 -1.09 -0.00 -0.07 -0.04 2.63 1.42 1miyA1 MET 199 HG3 -0.64 -0.06 -0.18 -0.04 2.56 1.64 1miyA1 MET 199 HE3 -0.25 -0.02 -0.00 -0.04 2.10 1.78 1miyA1 GLU 200 H -0.00 0.60 -0.37 -0.55 8.60 8.29 1miyA1 GLU 200 HA -0.30 -0.00 0.18 -0.75 4.29 3.41 1miyA1 GLU 200 HB2 0.07 0.08 0.02 -0.04 2.09 2.21 1miyA1 GLU 200 HB3 0.03 -0.05 -0.01 -0.04 1.99 1.92 1miyA1 GLU 200 HG2 0.31 -0.03 -0.05 -0.04 2.34 2.53 1miyA1 GLU 200 HG3 0.39 0.04 -0.12 -0.04 2.34 2.61 1miyA1 LYS 201 H -0.10 0.42 -0.47 -0.55 8.42 7.71 1miyA1 LYS 201 HA -0.10 0.17 0.86 -0.75 4.32 4.49 1miyA1 LYS 201 HB2 -0.11 0.03 0.15 -0.04 1.87 1.90 1miyA1 LYS 201 HB3 -0.11 -0.04 -0.06 -0.04 1.79 1.54 1miyA1 LYS 201 HG2 -0.06 -0.03 -0.02 -0.04 1.46 1.30 1miyA1 LYS 201 HG3 -0.05 0.08 -0.12 -0.04 1.46 1.33 1miyA1 LYS 201 HD2 -0.07 0.05 -0.07 -0.04 1.69 1.56 1miyA1 LYS 201 HD3 -0.11 -0.06 -0.05 -0.04 1.68 1.42 1miyA1 LYS 201 HE2 -0.04 -0.00 -0.05 -0.04 2.99 2.86 1miyA1 LYS 201 HE3 -0.03 -0.01 -0.09 -0.04 2.99 2.82 1miyA1 LEU 202 H -0.14 0.46 0.10 -0.55 8.37 8.25 1miyA1 LEU 202 HA -0.15 -0.01 0.51 -0.75 4.35 3.94 1miyA1 LEU 202 HB2 -0.13 -0.01 0.12 -0.04 1.64 1.57 1miyA1 LEU 202 HB3 -0.20 0.13 0.21 -0.04 1.64 1.74 1miyA1 LEU 202 HG -0.15 -0.03 -0.00 -0.04 1.64 1.41 1miyA1 LEU 202 HD13 -0.09 -0.01 -0.18 -0.04 0.93 0.61 1miyA1 LEU 202 HD23 -0.27 0.01 -0.26 -0.04 0.89 0.32 1miyA1 LEU 203 H -0.31 0.73 -0.02 -0.55 8.37 8.22 1miyA1 LEU 203 HA -0.47 -0.00 0.29 -0.75 4.35 3.41 1miyA1 LEU 203 HB2 -0.41 0.00 -0.09 -0.04 1.64 1.10 1miyA1 LEU 203 HB3 -0.31 -0.03 -0.11 -0.04 1.64 1.14 1miyA1 LEU 203 HG -0.69 0.13 -0.09 -0.04 1.64 0.95 1miyA1 LEU 203 HD13 -1.07 -0.03 -0.18 -0.04 0.93 -0.39 1miyA1 LEU 203 HD23 -0.54 -0.01 -0.07 -0.04 0.89 0.23 1miyA1 GLY 204 H -0.16 0.35 -0.71 -0.55 8.43 7.37 1miyA1 GLY 204 HA2 -0.06 0.14 0.57 -0.51 4.01 4.15 1miyA1 GLY 204 HA3 -0.08 -0.09 0.22 -0.51 4.01 3.55 1miyA1 GLY 205 H -0.13 0.57 -0.21 -0.55 8.43 8.11 1miyA1 GLY 205 HA2 -0.04 0.03 0.39 -0.51 4.01 3.88 1miyA1 GLY 205 HA3 -0.06 -0.11 0.26 -0.51 4.01 3.59 1miyA1 PRO 206 HA -0.14 0.14 0.78 -0.51 4.44 4.71 1miyA1 PRO 206 HB2 -0.54 0.03 -0.06 -0.04 2.28 1.68 1miyA1 PRO 206 HB3 -0.21 -0.02 0.16 -0.04 2.02 1.91 1miyA1 PRO 206 HG2 -0.02 0.09 0.11 -0.04 2.03 2.17 1miyA1 PRO 206 HG3 -0.05 0.02 0.12 -0.04 2.03 2.07 1miyA1 PRO 206 HD2 0.05 0.25 0.37 -0.04 3.68 4.30 1miyA1 PRO 206 HD3 -0.02 0.07 0.26 -0.04 3.65 3.93 1miyA1 PHE 207 H 0.04 0.70 0.12 -0.55 8.34 8.65 1miyA1 PHE 207 HA 0.02 0.21 0.87 -0.75 4.62 4.97 1miyA1 PHE 207 HB2 0.00 0.19 0.13 -0.04 3.15 3.44 1miyA1 PHE 207 HB3 0.01 -0.11 0.17 -0.04 3.06 3.08 1miyA1 PHE 207 HD2 0.04 -0.04 -0.26 -0.04 7.28 6.98 1miyA1 PHE 207 HE2 0.05 0.04 -0.09 -0.04 7.38 7.34 1miyA1 PHE 207 HZ 0.06 -0.04 -0.01 -0.04 7.32 7.29 1miyA1 ALA 208 H -0.06 0.28 -0.35 -0.55 8.40 7.72 1miyA1 ALA 208 HA -0.23 -0.05 0.28 -0.75 4.34 3.59 1miyA1 ALA 208 HB3 -0.42 0.05 -0.01 -0.04 1.41 1.00 1miyA1 ALA 209 H -0.00 0.12 -0.67 -0.55 8.40 7.30 1miyA1 ALA 209 HA 0.01 0.09 0.20 -0.75 4.34 3.89 1miyA1 ALA 209 HB3 0.19 0.06 0.10 -0.04 1.41 1.71 1miyA1 ARG 210 H 0.06 0.65 -0.15 -0.55 8.46 8.47 1miyA1 ARG 210 HA 0.04 0.15 0.88 -0.75 4.34 4.65 1miyA1 ARG 210 HB2 0.04 -0.09 0.15 -0.04 1.90 1.96 1miyA1 ARG 210 HB3 0.07 0.01 0.03 -0.04 1.80 1.86 1miyA1 ARG 210 HG2 0.15 -0.02 0.02 -0.04 1.67 1.78 1miyA1 ARG 210 HG3 0.12 0.28 0.05 -0.04 1.67 2.07 1miyA1 ARG 210 HD2 0.00 0.05 -0.05 -0.04 3.22 3.18 1miyA1 ARG 210 HD3 0.02 -0.09 0.00 -0.04 3.22 3.11 1miyA1 ALA 211 H -0.08 0.67 -0.21 -0.55 8.40 8.24 1miyA1 ALA 211 HA -0.03 0.07 0.60 -0.75 4.34 4.22 1miyA1 ALA 211 HB3 -0.11 0.01 -0.03 -0.04 1.41 1.24 1miyA1 LEU 212 H -0.20 0.57 0.04 -0.55 8.37 8.23 1miyA1 LEU 212 HA -0.11 -0.04 0.28 -0.75 4.35 3.72 1miyA1 LEU 212 HB2 -0.15 0.21 0.04 -0.04 1.64 1.71 1miyA1 LEU 212 HB3 -0.08 -0.02 -0.05 -0.04 1.64 1.44 1miyA1 LEU 212 HG -0.49 -0.05 -0.01 -0.04 1.64 1.06 1miyA1 LEU 212 HD13 -1.14 0.03 -0.10 -0.04 0.93 -0.32 1miyA1 LEU 212 HD23 -0.27 -0.03 -0.07 -0.04 0.89 0.48 1miyA1 PRO 213 HA 0.04 -0.01 0.13 -0.51 4.44 4.10 1miyA1 PRO 213 HB2 0.03 -0.05 0.04 -0.04 2.28 2.26 1miyA1 PRO 213 HB3 0.05 -0.01 0.10 -0.04 2.02 2.12 1miyA1 PRO 213 HG2 0.06 0.10 0.29 -0.04 2.03 2.43 1miyA1 PRO 213 HG3 0.08 0.19 0.20 -0.04 2.03 2.46 1miyA1 PRO 213 HD2 -0.02 -0.15 -0.40 -0.04 3.68 3.07 1miyA1 PRO 213 HD3 0.01 0.19 0.04 -0.04 3.65 3.85 1miyA1 LEU 214 H 0.01 0.34 -0.43 -0.55 8.37 7.75 1miyA1 LEU 214 HA 0.02 -0.09 0.36 -0.75 4.35 3.88 1miyA1 LEU 214 HB2 0.01 0.31 0.16 -0.04 1.64 2.08 1miyA1 LEU 214 HB3 -0.01 0.17 0.08 -0.04 1.64 1.84 1miyA1 LEU 214 HG 0.01 -0.11 -0.06 -0.04 1.64 1.44 1miyA1 LEU 214 HD13 0.01 -0.01 0.03 -0.04 0.93 0.92 1miyA1 LEU 214 HD23 0.00 -0.01 -0.01 -0.04 0.89 0.83 1miyA1 LEU 215 H -0.01 0.74 -0.24 -0.55 8.37 8.31 1miyA1 LEU 215 HA 0.02 -0.13 0.31 -0.75 4.35 3.79 1miyA1 LEU 215 HB2 -0.02 0.06 0.07 -0.04 1.64 1.71 1miyA1 LEU 215 HB3 0.02 0.18 0.02 -0.04 1.64 1.81 1miyA1 LEU 215 HG 0.07 -0.07 -0.11 -0.04 1.64 1.49 1miyA1 LEU 215 HD13 0.03 -0.03 -0.05 -0.04 0.93 0.83 1miyA1 LEU 215 HD23 0.05 -0.01 -0.08 -0.04 0.89 0.80 1miyA1 ALA 216 H 0.03 0.76 -0.59 -0.55 8.40 8.05 1miyA1 ALA 216 HA 0.05 0.01 0.76 -0.75 4.34 4.40 1miyA1 ALA 216 HB3 0.04 -0.02 0.09 -0.04 1.41 1.47 1miyA1 GLU 217 H 0.03 0.32 0.14 -0.55 8.60 8.55 1miyA1 GLU 217 HA 0.03 -0.03 0.30 -0.75 4.29 3.83 1miyA1 GLU 217 HB2 0.03 -0.00 0.08 -0.04 2.09 2.16 1miyA1 GLU 217 HB3 0.03 -0.06 -0.01 -0.04 1.99 1.90 1miyA1 GLU 217 HG2 0.03 -0.04 0.03 -0.04 2.34 2.32 1miyA1 GLU 217 HG3 0.03 0.00 0.01 -0.04 2.34 2.35 1miyA1 THR 218 H 0.03 0.53 -0.49 -0.55 8.28 7.80 1miyA1 THR 218 HA 0.04 0.02 0.70 -0.75 4.39 4.39 1miyA1 THR 218 HB 0.02 -0.14 -0.01 -0.04 4.32 4.15 1miyA1 THR 218 HG23 0.02 -0.01 -0.06 -0.04 1.22 1.14 1miyA1 GLY 219 H 0.05 0.02 0.07 -0.55 8.43 8.03 1miyA1 GLY 219 HA2 0.12 0.10 0.41 -0.51 4.01 4.13 1miyA1 GLY 219 HA3 0.09 0.03 0.39 -0.51 4.01 4.02 1miyA1 LEU 220 H 0.06 -0.05 -0.78 -0.55 8.37 7.06 1miyA1 LEU 220 HA 0.13 -0.01 0.04 -0.75 4.35 3.75 1miyA1 LEU 220 HB2 0.04 0.17 0.04 -0.04 1.64 1.85 1miyA1 LEU 220 HB3 0.06 -0.08 -0.05 -0.04 1.64 1.54 1miyA1 LEU 220 HG -0.02 -0.04 -0.10 -0.04 1.64 1.43 1miyA1 LEU 220 HD13 -0.03 -0.04 -0.22 -0.04 0.93 0.60 1miyA1 LEU 220 HD23 -0.06 -0.01 -0.07 -0.04 0.89 0.71 1miyA1 ASN 221 H 0.09 0.47 -0.06 -0.55 8.53 8.48 1miyA1 ASN 221 HA 0.08 -0.10 0.58 -0.75 4.76 4.57 1miyA1 ASN 221 HB2 0.06 0.17 0.09 -0.04 2.88 3.16 1miyA1 ASN 221 HB3 0.04 0.04 0.08 -0.04 2.79 2.91 1miyA1 ASN 221 HD21 0.04 -0.22 -0.10 -0.04 7.03 6.71 1miyA1 ASN 221 HD22 0.03 -0.01 -0.03 -0.04 7.74 7.69 1miyA1 ALA 222 H -0.01 0.20 0.13 -0.55 8.40 8.19 1miyA1 ALA 222 HA -0.14 -0.10 0.09 -0.75 4.34 3.44 1miyA1 ALA 222 HB3 -0.23 0.01 0.14 -0.04 1.41 1.29 1miyA1 TYR 223 H 0.01 0.10 -0.20 -0.55 8.29 7.65 1miyA1 TYR 223 HA -0.05 0.09 0.41 -0.75 4.56 4.26 1miyA1 TYR 223 HB2 -0.02 0.13 -0.03 -0.04 3.06 3.09 1miyA1 TYR 223 HB3 -0.04 -0.15 0.08 -0.04 2.98 2.83 1miyA1 TYR 223 HD2 -0.02 0.05 -0.10 -0.04 7.15 7.03 1miyA1 TYR 223 HE2 -0.01 0.03 0.00 -0.04 6.85 6.84 1miyA1 LEU 224 H 0.02 -0.08 0.13 -0.55 8.37 7.90 1miyA1 LEU 224 HA -0.17 0.21 0.70 -0.75 4.35 4.34 1miyA1 LEU 224 HB2 0.11 -0.08 0.04 -0.04 1.64 1.66 1miyA1 LEU 224 HB3 -0.00 0.07 -0.02 -0.04 1.64 1.64 1miyA1 LEU 224 HG 0.11 0.17 -0.01 -0.04 1.64 1.87 1miyA1 LEU 224 HD13 0.25 -0.01 -0.06 -0.04 0.93 1.07 1miyA1 LEU 224 HD23 0.08 0.00 -0.06 -0.04 0.89 0.87 1miyA1 PRO 225 HA -0.39 -0.02 0.30 -0.51 4.44 3.82 1miyA1 PRO 225 HB2 -2.54 0.01 -0.01 -0.04 2.28 -0.30 1miyA1 PRO 225 HB3 -0.85 0.03 -0.15 -0.04 2.02 1.01 1miyA1 PRO 225 HG2 -1.22 0.03 -0.02 -0.04 2.03 0.79 1miyA1 PRO 225 HG3 -0.59 0.09 0.04 -0.04 2.03 1.52 1miyA1 PRO 225 HD2 -1.42 0.09 0.12 -0.04 3.68 2.42 1miyA1 PRO 225 HD3 -0.49 0.22 0.21 -0.04 3.65 3.55 1miyA1 GLY 226 H -0.10 0.13 0.17 -0.55 8.43 8.08 1miyA1 GLY 226 HA2 0.13 -0.01 0.35 -0.51 4.01 3.97 1miyA1 GLY 226 HA3 0.47 0.09 0.35 -0.51 4.01 4.41 1miyA1 LEU 227 H 0.06 0.51 -0.26 -0.55 8.37 8.13 1miyA1 LEU 227 HA 0.19 0.26 0.72 -0.75 4.35 4.77 1miyA1 LEU 227 HB2 0.12 0.03 0.01 -0.04 1.64 1.75 1miyA1 LEU 227 HB3 0.14 -0.09 0.16 -0.04 1.64 1.82 1miyA1 LEU 227 HG 0.53 0.19 -0.37 -0.04 1.64 1.95 1miyA1 LEU 227 HD13 0.39 -0.02 -0.10 -0.04 0.93 1.16 1miyA1 LEU 227 HD23 0.36 0.04 -0.13 -0.04 0.89 1.11 1miyA1 ALA 228 H 0.04 0.08 -0.42 -0.55 8.40 7.55 1miyA1 ALA 228 HA -0.06 0.04 0.61 -0.75 4.34 4.18 1miyA1 ALA 228 HB3 -0.04 0.03 0.05 -0.04 1.41 1.41 1miyA1 GLY 229 H -0.03 0.21 0.19 -0.55 8.43 8.25 1miyA1 GLY 229 HA2 -0.00 0.03 0.35 -0.51 4.01 3.88 1miyA1 GLY 229 HA3 -0.01 0.07 0.19 -0.51 4.01 3.76 1miyA1 LYS 230 H 0.03 0.22 -0.59 -0.55 8.42 7.52 1miyA1 LYS 230 HA 0.02 0.16 0.63 -0.75 4.32 4.38 1miyA1 LYS 230 HB2 0.06 -0.00 -0.03 -0.04 1.87 1.86 1miyA1 LYS 230 HB3 0.03 0.02 0.18 -0.04 1.79 1.98 1miyA1 LYS 230 HG2 0.03 0.21 -0.14 -0.04 1.46 1.52 1miyA1 LYS 230 HG3 0.06 0.04 0.00 -0.04 1.46 1.52 1miyA1 LYS 230 HD2 -0.03 0.04 0.07 -0.04 1.69 1.74 1miyA1 LYS 230 HD3 -0.01 -0.02 0.04 -0.04 1.68 1.65 1miyA1 LYS 230 HE2 -0.00 0.02 -0.01 -0.04 2.99 2.96 1miyA1 LYS 230 HE3 -0.03 0.06 0.05 -0.04 2.99 3.03 1miyA1 GLU 231 H 0.02 0.10 -0.75 -0.55 8.60 7.43 1miyA1 GLU 231 HA 0.04 0.08 0.21 -0.75 4.29 3.86 1miyA1 GLU 231 HB2 0.02 -0.02 0.04 -0.04 2.09 2.10 1miyA1 GLU 231 HB3 0.03 0.05 -0.06 -0.04 1.99 1.97 1miyA1 GLU 231 HG2 0.03 0.08 -0.03 -0.04 2.34 2.38 1miyA1 GLU 231 HG3 0.03 0.05 0.00 -0.04 2.34 2.37 1miyA1 LYS 232 H 0.03 0.13 -0.19 -0.55 8.42 7.84 1miyA1 LYS 232 HA 0.04 0.03 0.38 -0.75 4.32 4.02 1miyA1 LYS 232 HB2 0.03 0.02 0.07 -0.04 1.87 1.95 1miyA1 LYS 232 HB3 0.04 0.04 0.02 -0.04 1.79 1.85 1miyA1 LYS 232 HG2 0.03 0.01 0.03 -0.04 1.46 1.49 1miyA1 LYS 232 HG3 0.02 -0.06 0.06 -0.04 1.46 1.44 1miyA1 LYS 232 HD2 0.02 0.04 0.02 -0.04 1.69 1.73 1miyA1 LYS 232 HD3 0.02 0.02 0.01 -0.04 1.68 1.69 1miyA1 LYS 232 HE2 0.02 -0.02 0.01 -0.04 2.99 2.96 1miyA1 LYS 232 HE3 0.01 0.01 0.02 -0.04 2.99 2.99 1miyA1 GLN 233 H 0.04 0.12 -0.15 -0.55 8.47 7.93 1miyA1 GLN 233 HA 0.07 0.03 0.34 -0.75 4.36 4.05 1miyA1 GLN 233 HB2 0.04 -0.01 0.16 -0.04 2.15 2.29 1miyA1 GLN 233 HB3 0.03 0.27 0.26 -0.04 2.02 2.53 1miyA1 GLN 233 HG2 0.02 -0.21 0.12 -0.04 2.40 2.29 1miyA1 GLN 233 HG3 0.01 -0.03 0.15 -0.04 2.39 2.48 1miyA1 GLN 233 HE21 0.00 -0.02 -0.06 -0.04 6.97 6.85 1miyA1 GLN 233 HE22 0.03 -0.07 -0.03 -0.04 7.69 7.58 1miyA1 LEU 234 H 0.07 0.38 -0.25 -0.55 8.37 8.02 1miyA1 LEU 234 HA 0.11 0.07 0.29 -0.75 4.35 4.06 1miyA1 LEU 234 HB2 0.06 0.09 0.05 -0.04 1.64 1.79 1miyA1 LEU 234 HB3 0.06 0.01 -0.28 -0.04 1.64 1.38 1miyA1 LEU 234 HG 0.07 0.01 -0.12 -0.04 1.64 1.56 1miyA1 LEU 234 HD13 0.07 -0.01 -0.16 -0.04 0.93 0.79 1miyA1 LEU 234 HD23 0.08 -0.00 -0.12 -0.04 0.89 0.81 1miyA1 ARG 235 H 0.07 0.52 0.03 -0.55 8.46 8.52 1miyA1 ARG 235 HA 0.07 -0.04 0.45 -0.75 4.34 4.07 1miyA1 ARG 235 HB2 0.06 0.09 0.20 -0.04 1.90 2.21 1miyA1 ARG 235 HB3 0.06 -0.03 0.04 -0.04 1.80 1.83 1miyA1 ARG 235 HG2 0.05 -0.05 0.07 -0.04 1.67 1.70 1miyA1 ARG 235 HG3 0.05 0.06 0.03 -0.04 1.67 1.76 1miyA1 ARG 235 HD2 0.04 -0.02 -0.01 -0.04 3.22 3.19 1miyA1 ARG 235 HD3 0.04 -0.00 0.01 -0.04 3.22 3.23 1miyA1 LEU 236 H 0.11 0.58 -0.12 -0.55 8.37 8.39 1miyA1 LEU 236 HA 0.12 -0.04 0.38 -0.75 4.35 4.05 1miyA1 LEU 236 HB2 0.15 0.22 0.12 -0.04 1.64 2.09 1miyA1 LEU 236 HB3 0.17 -0.04 0.04 -0.04 1.64 1.77 1miyA1 LEU 236 HG 0.08 0.12 0.04 -0.04 1.64 1.84 1miyA1 LEU 236 HD13 0.08 -0.02 -0.03 -0.04 0.93 0.92 1miyA1 LEU 236 HD23 0.07 -0.03 0.02 -0.04 0.89 0.90 1miyA1 ALA 237 H 0.21 0.31 -0.47 -0.55 8.40 7.91 1miyA1 ALA 237 HA 0.55 -0.04 0.28 -0.75 4.34 4.37 1miyA1 ALA 237 HB3 0.36 0.05 0.12 -0.04 1.41 1.90 1miyA1 ALA 238 H 0.23 0.36 -0.77 -0.55 8.40 7.68 1miyA1 ALA 238 HA 0.27 0.09 0.48 -0.75 4.34 4.42 1miyA1 ALA 238 HB3 0.13 -0.04 0.13 -0.04 1.41 1.60 1miyA1 ALA 239 H 0.20 0.43 -0.10 -0.55 8.40 8.39 1miyA1 ALA 239 HA 0.07 0.04 0.32 -0.75 4.34 4.02 1miyA1 ALA 239 HB3 -0.06 -0.02 0.11 -0.04 1.41 1.40 1miyA1 TYR 240 H 0.41 0.37 -0.27 -0.55 8.29 8.26 1miyA1 TYR 240 HA -0.07 0.22 0.45 -0.75 4.56 4.41 1miyA1 TYR 240 HB2 -0.44 0.10 0.17 -0.04 3.06 2.85 1miyA1 TYR 240 HB3 -0.81 -0.09 -0.01 -0.04 2.98 2.03 1miyA1 TYR 240 HD2 0.01 0.11 -0.02 -0.04 7.15 7.20 1miyA1 TYR 240 HE2 0.18 -0.03 -0.07 -0.04 6.85 6.89 1miyA1 ARG 241 H -0.01 0.52 0.28 -0.55 8.46 8.70 1miyA1 ARG 241 HA 0.11 0.12 0.39 -0.75 4.34 4.20 1miyA1 ARG 241 HB2 0.04 -0.03 0.15 -0.04 1.90 2.02 1miyA1 ARG 241 HB3 0.10 -0.13 0.17 -0.04 1.80 1.90 1miyA1 ARG 241 HG2 0.03 0.08 0.01 -0.04 1.67 1.74 1miyA1 ARG 241 HG3 -0.02 0.08 -0.02 -0.04 1.67 1.67 1miyA1 ARG 241 HD2 0.02 -0.03 -0.00 -0.04 3.22 3.17 1miyA1 ARG 241 HD3 -0.02 0.03 -0.00 -0.04 3.22 3.19 1miyA1 TRP 242 H 0.15 0.70 -0.38 -0.55 7.97 7.90 1miyA1 TRP 242 HA 0.05 -0.08 0.19 -0.75 4.62 4.03 1miyA1 TRP 242 HB2 0.01 0.01 0.10 -0.04 3.23 3.30 1miyA1 TRP 242 HB3 -0.03 0.08 -0.02 -0.04 3.23 3.21 1miyA1 TRP 242 HD1 0.09 0.24 0.10 -0.04 7.22 7.61 1miyA1 TRP 242 HE1 0.12 0.40 0.04 -0.04 10.20 10.72 1miyA1 TRP 242 HE3 -0.12 0.05 -0.01 -0.04 7.59 7.47 1miyA1 TRP 242 HZ2 -0.15 0.03 -0.04 -0.04 7.44 7.24 1miyA1 TRP 242 HZ3 -0.23 -0.09 -0.09 -0.04 7.13 6.68 1miyA1 TRP 242 HH2 -0.19 -0.06 -0.10 -0.04 7.19 6.80 1miyA1 PRO 243 HA 0.09 0.13 0.48 -0.51 4.44 4.64 1miyA1 PRO 243 HB2 0.11 -0.04 -0.04 -0.04 2.28 2.28 1miyA1 PRO 243 HB3 0.04 0.00 0.17 -0.04 2.02 2.20 1miyA1 PRO 243 HG2 0.04 0.04 0.05 -0.04 2.03 2.11 1miyA1 PRO 243 HG3 0.02 0.15 0.16 -0.04 2.03 2.32 1miyA1 PRO 243 HD2 0.26 0.08 -0.14 -0.04 3.68 3.84 1miyA1 PRO 243 HD3 0.31 0.03 0.07 -0.04 3.65 4.03 1miyA1 TRP 244 H 0.25 0.64 -0.22 -0.55 7.97 8.10 1miyA1 TRP 244 HA 0.02 0.23 1.08 -0.75 4.62 5.20 1miyA1 TRP 244 HB2 0.02 -0.01 0.06 -0.04 3.23 3.26 1miyA1 TRP 244 HB3 0.02 0.02 0.06 -0.04 3.23 3.29 1miyA1 TRP 244 HD1 0.06 0.04 0.01 -0.04 7.22 7.29 1miyA1 TRP 244 HE1 0.20 -0.10 0.02 -0.04 10.20 10.28 1miyA1 TRP 244 HE3 0.01 0.13 0.06 -0.04 7.59 7.75 1miyA1 TRP 244 HZ2 0.07 -0.07 0.00 -0.04 7.44 7.40 1miyA1 TRP 244 HZ3 0.01 0.01 0.02 -0.04 7.13 7.13 1miyA1 TRP 244 HH2 0.02 -0.03 0.01 -0.04 7.19 7.14 1miyA1 LEU 245 H 0.07 0.71 0.10 -0.55 8.37 8.70 1miyA1 LEU 245 HA -0.11 -0.13 0.56 -0.75 4.35 3.91 1miyA1 LEU 245 HB2 0.03 0.16 0.04 -0.04 1.64 1.82 1miyA1 LEU 245 HB3 -0.04 -0.20 -0.18 -0.04 1.64 1.19 1miyA1 LEU 245 HG 0.02 0.17 0.10 -0.04 1.64 1.89 1miyA1 LEU 245 HD13 -0.06 0.01 -0.00 -0.04 0.93 0.84 1miyA1 LEU 245 HD23 -0.03 -0.01 -0.06 -0.04 0.89 0.75 1miyA1 ALA 246 H -0.24 -0.02 0.17 -0.55 8.40 7.76 1miyA1 ALA 246 HA -0.30 0.25 0.59 -0.75 4.34 4.12 1miyA1 ALA 246 HB3 -0.35 -0.02 0.06 -0.04 1.41 1.06 1miyA1 ALA 247 H -0.11 0.03 0.05 -0.55 8.40 7.82 1miyA1 ALA 247 HA -0.06 0.33 0.95 -0.75 4.34 4.80 1miyA1 ALA 247 HB3 -0.05 -0.01 -0.02 -0.04 1.41 1.29 1miyA1 ARG 248 H 0.00 0.21 0.12 -0.55 8.46 8.23 1miyA1 ARG 248 HA 0.03 0.18 0.31 -0.75 4.34 4.11 1miyA1 ARG 248 HB2 0.05 0.09 0.14 -0.04 1.90 2.15 1miyA1 ARG 248 HB3 0.09 -0.17 0.12 -0.04 1.80 1.80 1miyA1 ARG 248 HG2 0.38 -0.03 -0.18 -0.04 1.67 1.80 1miyA1 ARG 248 HG3 0.24 0.10 0.01 -0.04 1.67 1.97 1miyA1 ARG 248 HD2 0.07 0.04 0.00 -0.04 3.22 3.29 1miyA1 ARG 248 HD3 0.07 -0.07 -0.04 -0.04 3.22 3.14 1miyA1 GLU 249 H 0.08 0.09 -0.08 -0.55 8.60 8.15 1miyA1 GLU 249 HA 0.18 0.06 0.42 -0.75 4.29 4.20 1miyA1 GLU 249 HB2 0.04 -0.03 -0.00 -0.04 2.09 2.05 1miyA1 GLU 249 HB3 0.06 0.13 -0.15 -0.04 1.99 1.98 1miyA1 GLU 249 HG2 0.02 0.07 -0.01 -0.04 2.34 2.38 1miyA1 GLU 249 HG3 0.04 0.00 0.03 -0.04 2.34 2.38 1miyA1 GLU 250 H 0.02 -0.01 -0.27 -0.55 8.60 7.80 1miyA1 GLU 250 HA 0.02 0.04 0.23 -0.75 4.29 3.82 1miyA1 GLU 250 HB2 -0.04 0.07 0.12 -0.04 2.09 2.20 1miyA1 GLU 250 HB3 -0.03 0.09 0.02 -0.04 1.99 2.03 1miyA1 GLU 250 HG2 0.00 0.12 0.07 -0.04 2.34 2.49 1miyA1 GLU 250 HG3 -0.02 -0.11 0.06 -0.04 2.34 2.23 1miyA1 ARG 251 H -0.01 0.68 -0.28 -0.55 8.46 8.31 1miyA1 ARG 251 HA 0.00 0.10 0.49 -0.75 4.34 4.17 1miyA1 ARG 251 HB2 -0.09 0.01 -0.05 -0.04 1.90 1.73 1miyA1 ARG 251 HB3 -0.37 -0.06 0.11 -0.04 1.80 1.44 1miyA1 ARG 251 HG2 -0.24 -0.08 -0.16 -0.04 1.67 1.15 1miyA1 ARG 251 HG3 0.04 0.08 -0.10 -0.04 1.67 1.64 1miyA1 ARG 251 HD2 -0.15 -0.07 -0.24 -0.04 3.22 2.71 1miyA1 ARG 251 HD3 -0.13 -0.02 -0.90 -0.04 3.22 2.13 1miyA1 TRP 252 H -0.04 0.62 0.14 -0.55 7.97 8.15 1miyA1 TRP 252 HA -0.02 -0.02 0.22 -0.75 4.62 4.05 1miyA1 TRP 252 HB2 -0.02 0.04 0.13 -0.04 3.23 3.34 1miyA1 TRP 252 HB3 -0.01 -0.08 -0.01 -0.04 3.23 3.08 1miyA1 TRP 252 HD1 -0.07 -0.00 -0.19 -0.04 7.22 6.92 1miyA1 TRP 252 HE1 -0.13 -0.02 -0.05 -0.04 10.20 9.95 1miyA1 TRP 252 HE3 -0.15 -0.03 -0.03 -0.04 7.59 7.34 1miyA1 TRP 252 HZ2 -0.36 0.03 -0.07 -0.04 7.44 6.99 1miyA1 TRP 252 HZ3 -1.47 0.04 -0.09 -0.04 7.13 5.57 1miyA1 TRP 252 HH2 -2.13 0.01 -0.06 -0.04 7.19 4.97 1miyA1 ALA 253 H 0.14 0.84 -0.56 -0.55 8.40 8.28 1miyA1 ALA 253 HA 0.10 -0.11 0.25 -0.75 4.34 3.83 1miyA1 ALA 253 HB3 0.03 0.04 -0.03 -0.04 1.41 1.41 1miyA1 LEU 254 H -0.07 0.59 0.09 -0.55 8.37 8.43 1miyA1 LEU 254 HA -0.18 -0.03 0.37 -0.75 4.35 3.75 1miyA1 LEU 254 HB2 -0.25 -0.00 0.14 -0.04 1.64 1.49 1miyA1 LEU 254 HB3 -0.45 0.09 0.13 -0.04 1.64 1.36 1miyA1 LEU 254 HG -0.69 -0.09 -0.03 -0.04 1.64 0.79 1miyA1 LEU 254 HD13 -0.08 0.02 -0.20 -0.04 0.93 0.62 1miyA1 LEU 254 HD23 -1.70 0.01 -0.13 -0.04 0.89 -0.98 1miyA1 LEU 255 H 0.00 0.55 -0.30 -0.55 8.37 8.08 1miyA1 LEU 255 HA 0.27 0.04 0.31 -0.75 4.35 4.21 1miyA1 LEU 255 HB2 0.13 -0.02 -0.07 -0.04 1.64 1.64 1miyA1 LEU 255 HB3 0.06 0.06 -0.03 -0.04 1.64 1.69 1miyA1 LEU 255 HG 0.34 0.00 -0.37 -0.04 1.64 1.57 1miyA1 LEU 255 HD13 0.18 -0.01 -0.13 -0.04 0.93 0.94 1miyA1 LEU 255 HD23 -0.38 -0.03 -0.12 -0.04 0.89 0.33 1miyA1 CYS 256 H 0.15 0.75 -0.06 -0.55 8.50 8.78 1miyA1 CYS 256 HA -0.08 -0.05 0.53 -0.75 4.58 4.22 1miyA1 CYS 256 HB2 0.11 0.33 0.24 -0.04 2.97 3.60 1miyA1 CYS 256 HB3 0.02 0.02 0.01 -0.04 2.97 2.97 1miyA1 HIS 257 H 0.04 0.53 0.01 -0.55 8.41 8.44 1miyA1 HIS 257 HA -0.13 0.00 0.23 -0.75 4.63 3.98 1miyA1 HIS 257 HB2 -0.15 -0.03 0.07 -0.04 3.26 3.12 1miyA1 HIS 257 HB3 -0.22 0.10 0.17 -0.04 3.20 3.20 1miyA1 HIS 257 HD2 -0.22 0.05 -0.24 -0.04 6.97 6.52 1miyA1 HIS 257 HE1 -0.54 0.00 -0.05 -0.04 7.75 7.12 1miyA1 ALA 258 H -0.16 0.74 -0.19 -0.55 8.40 8.25 1miyA1 ALA 258 HA -0.04 0.05 0.41 -0.75 4.34 4.00 1miyA1 ALA 258 HB3 -0.62 0.01 0.06 -0.04 1.41 0.81 1miyA1 LEU 259 H -0.08 0.65 -0.20 -0.55 8.37 8.18 1miyA1 LEU 259 HA -0.02 0.04 0.84 -0.75 4.35 4.46 1miyA1 LEU 259 HB2 -0.14 0.12 0.26 -0.04 1.64 1.84 1miyA1 LEU 259 HB3 -0.12 -0.14 0.11 -0.04 1.64 1.44 1miyA1 LEU 259 HG 0.05 0.19 0.00 -0.04 1.64 1.84 1miyA1 LEU 259 HD13 0.07 -0.04 -0.07 -0.04 0.93 0.86 1miyA1 LEU 259 HD23 0.05 -0.03 0.00 -0.04 0.89 0.88 1miyA1 GLY 260 H -0.16 0.41 -0.38 -0.55 8.43 7.76 1miyA1 GLY 260 HA2 -0.22 0.13 0.31 -0.51 4.01 3.73 1miyA1 GLY 260 HA3 -0.12 -0.02 0.47 -0.51 4.01 3.83 1miyA1 VAL 261 H -0.16 0.25 -0.35 -0.55 8.24 7.42 1miyA1 VAL 261 HA -0.16 -0.04 0.11 -0.75 4.13 3.28 1miyA1 VAL 261 HB -0.20 -0.05 -0.05 -0.04 2.12 1.77 1miyA1 VAL 261 HG13 -0.20 -0.05 -0.40 -0.04 0.97 0.29 1miyA1 VAL 261 HG23 -0.69 0.03 -0.00 -0.04 0.95 0.24 1miyA1 GLN 262 H -0.07 0.03 0.06 -0.55 8.47 7.94 1miyA1 GLN 262 HA -0.04 0.19 0.44 -0.75 4.36 4.19 1miyA1 GLN 262 HB2 -0.01 -0.16 0.17 -0.04 2.15 2.10 1miyA1 GLN 262 HB3 -0.02 0.04 0.09 -0.04 2.02 2.09 1miyA1 GLN 262 HG2 -0.04 0.08 0.10 -0.04 2.40 2.50 1miyA1 GLN 262 HG3 -0.02 -0.06 0.10 -0.04 2.39 2.37 1miyA1 GLN 262 HE21 -0.02 -0.02 0.01 -0.04 6.97 6.89 1miyA1 GLN 262 HE22 -0.03 0.09 0.00 -0.04 7.69 7.71 1miyA1 GLU 263 H 0.00 0.10 0.06 -0.55 8.60 8.22 1miyA1 GLU 263 HA 0.02 0.17 0.74 -0.75 4.29 4.46 1miyA1 GLU 263 HB2 0.03 0.00 0.17 -0.04 2.09 2.25 1miyA1 GLU 263 HB3 0.03 -0.08 0.03 -0.04 1.99 1.93 1miyA1 GLU 263 HG2 0.01 0.01 0.02 -0.04 2.34 2.34 1miyA1 GLU 263 HG3 0.01 0.04 -0.07 -0.04 2.34 2.28 1miyA1 SER 264 H 0.04 0.27 0.12 -0.55 8.46 8.34 1miyA1 SER 264 HA 0.13 0.10 0.22 -0.75 4.49 4.19 1miyA1 SER 264 HB2 0.10 0.05 0.02 -0.04 3.95 4.08 1miyA1 SER 264 HB3 0.05 0.12 0.12 -0.04 3.93 4.17 1miyA1 ARG 265 H 0.05 0.07 -0.22 -0.55 8.46 7.81 1miyA1 ARG 265 HA 0.03 0.07 0.25 -0.75 4.34 3.93 1miyA1 ARG 265 HB2 0.03 -0.02 0.08 -0.04 1.90 1.94 1miyA1 ARG 265 HB3 0.02 0.06 0.00 -0.04 1.80 1.85 1miyA1 ARG 265 HG2 0.01 0.00 -0.03 -0.04 1.67 1.61 1miyA1 ARG 265 HG3 0.01 0.01 -0.03 -0.04 1.67 1.63 1miyA1 ARG 265 HD2 0.01 0.02 -0.11 -0.04 3.22 3.10 1miyA1 ARG 265 HD3 0.00 -0.01 -0.22 -0.04 3.22 2.95 1miyA1 PRO 266 HA 0.02 0.07 0.43 -0.51 4.44 4.45 1miyA1 PRO 266 HB2 0.08 0.08 -0.05 -0.04 2.28 2.34 1miyA1 PRO 266 HB3 0.03 0.03 0.06 -0.04 2.02 2.10 1miyA1 PRO 266 HG2 0.04 0.05 0.04 -0.04 2.03 2.13 1miyA1 PRO 266 HG3 0.03 0.03 0.03 -0.04 2.03 2.08 1miyA1 PRO 266 HD2 0.08 0.50 -0.21 -0.04 3.68 4.01 1miyA1 PRO 266 HD3 0.04 -0.01 0.02 -0.04 3.65 3.66 1miyA1 PHE 267 H 0.22 0.30 -0.34 -0.55 8.34 7.96 1miyA1 PHE 267 HA 0.07 0.04 0.40 -0.75 4.62 4.37 1miyA1 PHE 267 HB2 0.08 0.01 0.05 -0.04 3.15 3.25 1miyA1 PHE 267 HB3 0.09 0.10 0.15 -0.04 3.06 3.35 1miyA1 PHE 267 HD2 0.15 -0.06 -0.03 -0.04 7.28 7.30 1miyA1 PHE 267 HE2 0.31 0.01 -0.07 -0.04 7.38 7.59 1miyA1 PHE 267 HZ 0.54 0.03 -0.13 -0.04 7.32 7.71 1miyA1 LEU 268 H 0.20 0.60 0.10 -0.55 8.37 8.72 1miyA1 LEU 268 HA -0.27 0.05 0.32 -0.75 4.35 3.69 1miyA1 LEU 268 HB2 -0.08 0.03 0.00 -0.04 1.64 1.55 1miyA1 LEU 268 HB3 -0.36 -0.07 0.04 -0.04 1.64 1.21 1miyA1 LEU 268 HG 0.19 0.26 0.11 -0.04 1.64 2.16 1miyA1 LEU 268 HD13 -0.01 -0.01 -0.06 -0.04 0.93 0.82 1miyA1 LEU 268 HD23 0.20 0.00 -0.03 -0.04 0.89 1.01 1miyA1 ARG 269 H -0.04 0.30 -0.70 -0.55 8.46 7.47 1miyA1 ARG 269 HA -0.09 0.05 0.54 -0.75 4.34 4.09 1miyA1 ARG 269 HB2 -0.03 0.40 0.16 -0.04 1.90 2.40 1miyA1 ARG 269 HB3 -0.04 0.01 -0.06 -0.04 1.80 1.66 1miyA1 ARG 269 HG2 -0.05 -0.03 0.05 -0.04 1.67 1.60 1miyA1 ARG 269 HG3 -0.04 -0.04 -0.02 -0.04 1.67 1.52 1miyA1 ARG 269 HD2 -0.02 0.01 -0.08 -0.04 3.22 3.09 1miyA1 ARG 269 HD3 -0.03 -0.00 -0.04 -0.04 3.22 3.11 1miyA1 ALA 270 H -0.11 0.56 -0.04 -0.55 8.40 8.26 1miyA1 ALA 270 HA -0.14 0.01 0.53 -0.75 4.34 3.99 1miyA1 ALA 270 HB3 -0.27 0.04 0.13 -0.04 1.41 1.27 1miyA1 TRP 271 H -0.07 0.25 -0.49 -0.55 7.97 7.11 1miyA1 TRP 271 HA -0.16 0.06 0.38 -0.75 4.62 4.15 1miyA1 TRP 271 HB2 -0.58 0.17 0.04 -0.04 3.23 2.82 1miyA1 TRP 271 HB3 -0.36 -0.06 0.07 -0.04 3.23 2.84 1miyA1 TRP 271 HD1 -0.92 0.04 -0.22 -0.04 7.22 6.08 1miyA1 TRP 271 HE1 -0.64 0.08 -0.10 -0.04 10.20 9.49 1miyA1 TRP 271 HE3 0.09 -0.06 -0.01 -0.04 7.59 7.56 1miyA1 TRP 271 HZ2 0.18 0.04 -0.13 -0.04 7.44 7.50 1miyA1 TRP 271 HZ3 0.11 0.00 -0.18 -0.04 7.13 7.02 1miyA1 TRP 271 HH2 0.09 -0.02 -0.06 -0.04 7.19 7.16 1miyA1 LYS 272 H -0.07 0.46 -0.88 -0.55 8.42 7.37 1miyA1 LYS 272 HA -0.05 0.08 0.28 -0.75 4.32 3.87 1miyA1 LYS 272 HB2 -0.01 0.01 -0.39 -0.04 1.87 1.44 1miyA1 LYS 272 HB3 -0.02 -0.09 0.16 -0.04 1.79 1.80 1miyA1 LYS 272 HG2 -0.04 0.00 0.05 -0.04 1.46 1.43 1miyA1 LYS 272 HG3 -0.07 0.18 -0.03 -0.04 1.46 1.51 1miyA1 LYS 272 HD2 -0.05 -0.11 0.02 -0.04 1.69 1.52 1miyA1 LYS 272 HD3 -0.03 -0.07 0.03 -0.04 1.68 1.57 1miyA1 LYS 272 HE2 -0.03 0.00 0.03 -0.04 2.99 2.95 1miyA1 LYS 272 HE3 -0.05 0.08 0.04 -0.04 2.99 3.02 1miyA1 LEU 273 H -0.12 0.21 -0.30 -0.55 8.37 7.61 1miyA1 LEU 273 HA -0.11 0.11 0.57 -0.75 4.35 4.17 1miyA1 LEU 273 HB2 -0.33 0.07 0.01 -0.04 1.64 1.35 1miyA1 LEU 273 HB3 -0.31 -0.08 -0.01 -0.04 1.64 1.19 1miyA1 LEU 273 HG -0.47 0.06 -0.12 -0.04 1.64 1.07 1miyA1 LEU 273 HD13 -2.03 -0.02 -0.02 -0.04 0.93 -1.18 1miyA1 LEU 273 HD23 -0.26 -0.01 -0.05 -0.04 0.89 0.53 1miyA1 PRO 274 HA -0.05 0.11 0.43 -0.51 4.44 4.42 1miyA1 PRO 274 HB2 -0.04 -0.13 -0.04 -0.04 2.28 2.03 1miyA1 PRO 274 HB3 -0.03 0.10 0.11 -0.04 2.02 2.16 1miyA1 PRO 274 HG2 -0.05 -0.08 0.01 -0.04 2.03 1.87 1miyA1 PRO 274 HG3 -0.02 0.10 0.05 -0.04 2.03 2.12 1miyA1 PRO 274 HD2 -0.08 0.09 0.20 -0.04 3.68 3.84 1miyA1 PRO 274 HD3 -0.04 0.24 0.18 -0.04 3.65 3.99 1miyA1 ASN 275 H -0.04 0.19 0.15 -0.55 8.53 8.28 1miyA1 ASN 275 HA -0.05 0.15 0.38 -0.75 4.76 4.49 1miyA1 ASN 275 HB2 -0.03 -0.04 0.17 -0.04 2.88 2.94 1miyA1 ASN 275 HB3 -0.02 0.02 0.01 -0.04 2.79 2.76 1miyA1 ASN 275 HD21 -0.02 0.06 0.03 -0.04 7.03 7.05 1miyA1 ASN 275 HD22 -0.02 -0.01 0.04 -0.04 7.74 7.71 1miyA1 LYS 276 H -0.03 0.15 -0.08 -0.55 8.42 7.91 1miyA1 LYS 276 HA -0.02 0.04 0.12 -0.75 4.32 3.70 1miyA1 LYS 276 HB2 -0.02 -0.01 0.07 -0.04 1.87 1.87 1miyA1 LYS 276 HB3 -0.02 0.06 -0.06 -0.04 1.79 1.73 1miyA1 LYS 276 HG2 -0.02 0.02 0.08 -0.04 1.46 1.49 1miyA1 LYS 276 HG3 -0.02 -0.01 0.04 -0.04 1.46 1.44 1miyA1 LYS 276 HD2 -0.02 -0.00 0.01 -0.04 1.69 1.65 1miyA1 LYS 276 HD3 -0.02 0.02 0.01 -0.04 1.68 1.65 1miyA1 LYS 276 HE2 -0.02 0.02 0.01 -0.04 2.99 2.96 1miyA1 LYS 276 HE3 -0.02 -0.01 0.01 -0.04 2.99 2.93 1miyA1 VAL 277 H -0.05 0.25 -1.11 -0.55 8.24 6.77 1miyA1 VAL 277 HA -0.02 0.08 0.73 -0.75 4.13 4.16 1miyA1 VAL 277 HB -0.09 0.15 0.00 -0.04 2.12 2.14 1miyA1 VAL 277 HG13 -0.19 0.01 -0.22 -0.04 0.97 0.53 1miyA1 VAL 277 HG23 0.00 -0.02 -0.08 -0.04 0.95 0.81 1miyA1 VAL 278 H -0.10 0.45 0.10 -0.55 8.24 8.14 1miyA1 VAL 278 HA -0.08 0.00 0.33 -0.75 4.13 3.62 1miyA1 VAL 278 HB -0.06 0.00 0.03 -0.04 2.12 2.05 1miyA1 VAL 278 HG13 -0.04 -0.01 -0.10 -0.04 0.97 0.79 1miyA1 VAL 278 HG23 -0.17 0.07 -0.17 -0.04 0.95 0.64 1miyA1 ASP 279 H -0.03 0.70 -0.26 -0.55 8.40 8.26 1miyA1 ASP 279 HA -0.00 0.08 0.61 -0.75 4.63 4.57 1miyA1 ASP 279 HB2 -0.01 -0.01 -0.15 -0.04 2.71 2.50 1miyA1 ASP 279 HB3 -0.00 0.04 -0.10 -0.04 2.70 2.60 1miyA1 GLU 280 H -0.01 0.28 -0.16 -0.55 8.60 8.17 1miyA1 GLU 280 HA 0.01 0.02 0.40 -0.75 4.29 3.97 1miyA1 GLU 280 HB2 -0.00 0.05 0.17 -0.04 2.09 2.27 1miyA1 GLU 280 HB3 0.01 0.02 0.10 -0.04 1.99 2.08 1miyA1 GLU 280 HG2 -0.00 -0.04 0.03 -0.04 2.34 2.29 1miyA1 GLU 280 HG3 0.02 -0.03 0.10 -0.04 2.34 2.38 1miyA1 ALA 281 H 0.01 0.73 -0.44 -0.55 8.40 8.15 1miyA1 ALA 281 HA 0.07 -0.01 0.41 -0.75 4.34 4.06 1miyA1 ALA 281 HB3 0.04 0.02 -0.02 -0.04 1.41 1.40 1miyA1 GLY 282 H 0.03 0.40 -0.06 -0.55 8.43 8.25 1miyA1 GLY 282 HA2 0.04 0.01 0.30 -0.51 4.01 3.85 1miyA1 GLY 282 HA3 0.03 0.04 0.28 -0.51 4.01 3.85 1miyA1 ALA 283 H 0.03 0.58 -0.37 -0.55 8.40 8.09 1miyA1 ALA 283 HA 0.03 -0.01 0.34 -0.75 4.34 3.95 1miyA1 ALA 283 HB3 0.03 0.07 0.06 -0.04 1.41 1.53 1miyA1 ILE 284 H 0.04 0.54 -0.17 -0.55 8.25 8.11 1miyA1 ILE 284 HA 0.07 -0.01 0.35 -0.75 4.18 3.83 1miyA1 ILE 284 HB 0.05 0.08 0.09 -0.04 1.89 2.06 1miyA1 ILE 284 HG12 0.06 -0.02 -0.02 -0.04 1.49 1.48 1miyA1 ILE 284 HG13 0.05 0.04 0.11 -0.04 1.21 1.36 1miyA1 ILE 284 HG23 0.06 -0.00 -0.20 -0.04 0.93 0.75 1miyA1 ILE 284 HD13 0.03 -0.03 -0.05 -0.04 0.88 0.79 1miyA1 LEU 285 H 0.04 0.48 0.00 -0.55 8.37 8.35 1miyA1 LEU 285 HA 0.02 0.04 0.41 -0.75 4.35 4.07 1miyA1 LEU 285 HB2 0.05 -0.03 0.04 -0.04 1.64 1.66 1miyA1 LEU 285 HB3 0.03 0.02 0.00 -0.04 1.64 1.65 1miyA1 LEU 285 HG 0.05 0.03 0.03 -0.04 1.64 1.72 1miyA1 LEU 285 HD13 0.04 -0.02 -0.04 -0.04 0.93 0.86 1miyA1 LEU 285 HD23 0.03 0.00 0.03 -0.04 0.89 0.91 1miyA1 THR 286 H 0.02 0.80 -0.45 -0.55 8.28 8.11 1miyA1 THR 286 HA -0.00 0.01 0.47 -0.75 4.39 4.11 1miyA1 THR 286 HB 0.02 0.28 0.20 -0.04 4.32 4.79 1miyA1 THR 286 HG23 0.00 -0.03 -0.12 -0.04 1.22 1.03 1miyA1 ALA 287 H 0.02 0.59 0.22 -0.55 8.40 8.69 1miyA1 ALA 287 HA -0.09 -0.06 0.32 -0.75 4.34 3.75 1miyA1 ALA 287 HB3 0.05 -0.00 0.07 -0.04 1.41 1.50 1miyA1 LEU 288 H -0.01 0.45 -0.80 -0.55 8.37 7.46 1miyA1 LEU 288 HA -0.07 0.04 0.48 -0.75 4.35 4.04 1miyA1 LEU 288 HB2 -0.00 0.05 0.00 -0.04 1.64 1.65 1miyA1 LEU 288 HB3 -0.01 0.19 0.06 -0.04 1.64 1.83 1miyA1 LEU 288 HG -0.05 0.06 -0.04 -0.04 1.64 1.57 1miyA1 LEU 288 HD13 -0.00 -0.05 -0.03 -0.04 0.93 0.81 1miyA1 LEU 288 HD23 -0.13 -0.02 -0.10 -0.04 0.89 0.60 1miyA1 ALA 289 H -0.03 0.41 0.16 -0.55 8.40 8.39 1miyA1 ALA 289 HA -0.03 0.04 0.49 -0.75 4.34 4.09 1miyA1 ALA 289 HB3 -0.03 -0.03 0.12 -0.04 1.41 1.43 1miyA1 ASP 290 H -0.09 0.47 -0.23 -0.55 8.40 8.00 1miyA1 ASP 290 HA -0.08 0.01 0.26 -0.75 4.63 4.07 1miyA1 ASP 290 HB2 -0.12 0.01 -0.01 -0.04 2.71 2.55 1miyA1 ASP 290 HB3 -0.10 -0.07 -0.04 -0.04 2.70 2.45 1miyA1 ILE 291 H -0.24 0.59 -0.18 -0.55 8.25 7.86 1miyA1 ILE 291 HA -0.25 0.18 1.06 -0.75 4.18 4.42 1miyA1 ILE 291 HB -0.66 0.07 0.12 -0.04 1.89 1.38 1miyA1 ILE 291 HG12 -0.59 -0.04 -0.13 -0.04 1.49 0.69 1miyA1 ILE 291 HG13 -0.44 -0.09 -0.29 -0.04 1.21 0.35 1miyA1 ILE 291 HG23 -0.61 -0.07 -0.17 -0.04 0.93 0.04 1miyA1 ILE 291 HD13 -1.72 -0.00 -0.02 -0.04 0.88 -0.91 1miyA1 PRO 292 HA -0.07 0.24 0.51 -0.51 4.44 4.61 1miyA1 PRO 292 HB2 -0.05 -0.07 -0.04 -0.04 2.28 2.07 1miyA1 PRO 292 HB3 -0.04 0.05 0.08 -0.04 2.02 2.06 1miyA1 PRO 292 HG2 -0.06 -0.06 0.05 -0.04 2.03 1.91 1miyA1 PRO 292 HG3 -0.07 0.16 0.01 -0.04 2.03 2.09 1miyA1 PRO 292 HD2 -0.12 -0.06 0.20 -0.04 3.68 3.65 1miyA1 PRO 292 HD3 -0.13 0.45 0.30 -0.04 3.65 4.23 1miyA1 ARG 293 H -0.17 0.17 -0.18 -0.55 8.46 7.72 1miyA1 ARG 293 HA -0.15 0.27 0.81 -0.75 4.34 4.51 1miyA1 ARG 293 HB2 -0.11 -0.13 0.01 -0.04 1.90 1.63 1miyA1 ARG 293 HB3 -0.11 0.01 0.07 -0.04 1.80 1.73 1miyA1 ARG 293 HG2 -0.07 0.18 -0.55 -0.04 1.67 1.20 1miyA1 ARG 293 HG3 -0.07 0.00 -0.11 -0.04 1.67 1.45 1miyA1 ARG 293 HD2 -0.03 0.01 -0.05 -0.04 3.22 3.11 1miyA1 ARG 293 HD3 -0.04 -0.06 -0.04 -0.04 3.22 3.05 1miyA1 PRO 294 HA -0.03 0.10 0.46 -0.51 4.44 4.45 1miyA1 PRO 294 HB2 -2.16 0.03 -0.05 -0.04 2.28 0.06 1miyA1 PRO 294 HB3 -1.10 0.00 0.08 -0.04 2.02 0.96 1miyA1 PRO 294 HG2 -0.93 0.06 0.06 -0.04 2.03 1.18 1miyA1 PRO 294 HG3 -0.54 0.09 0.05 -0.04 2.03 1.59 1miyA1 PRO 294 HD2 -0.33 0.10 0.21 -0.04 3.68 3.62 1miyA1 PRO 294 HD3 -0.24 0.29 0.11 -0.04 3.65 3.77 1miyA1 GLU 295 H -0.26 0.14 -0.23 -0.55 8.60 7.70 1miyA1 GLU 295 HA 0.08 0.13 0.58 -0.75 4.29 4.33 1miyA1 GLU 295 HB2 0.01 0.03 -0.06 -0.04 2.09 2.03 1miyA1 GLU 295 HB3 0.10 0.03 0.09 -0.04 1.99 2.17 1miyA1 GLU 295 HG2 0.16 0.03 -0.00 -0.04 2.34 2.49 1miyA1 GLU 295 HG3 0.04 -0.02 -0.05 -0.04 2.34 2.28 1miyA1 ALA 296 H -0.08 0.29 -0.51 -0.55 8.40 7.56 1miyA1 ALA 296 HA 0.01 0.12 0.32 -0.75 4.34 4.04 1miyA1 ALA 296 HB3 -0.10 0.03 0.08 -0.04 1.41 1.38 1miyA1 TRP 297 H 0.21 0.15 -0.41 -0.55 7.97 7.37 1miyA1 TRP 297 HA 0.02 -0.01 0.38 -0.75 4.62 4.26 1miyA1 TRP 297 HB2 0.03 0.12 0.00 -0.04 3.23 3.35 1miyA1 TRP 297 HB3 0.06 -0.09 -0.15 -0.04 3.23 3.01 1miyA1 TRP 297 HD1 -0.09 0.18 0.08 -0.04 7.22 7.36 1miyA1 TRP 297 HE1 -0.05 0.00 -0.06 -0.04 10.20 10.05 1miyA1 TRP 297 HE3 0.07 -0.15 -0.18 -0.04 7.59 7.29 1miyA1 TRP 297 HZ2 0.00 0.07 -0.02 -0.04 7.44 7.45 1miyA1 TRP 297 HZ3 0.05 0.11 -0.28 -0.04 7.13 6.97 1miyA1 TRP 297 HH2 0.01 -0.00 -0.10 -0.04 7.19 7.07 1miyA1 THR 298 H 0.30 0.04 0.18 -0.55 8.28 8.25 1miyA1 THR 298 HA 0.16 0.27 0.69 -0.75 4.39 4.76 1miyA1 THR 298 HB 0.16 -0.44 0.18 -0.04 4.32 4.17 1miyA1 THR 298 HG23 0.08 0.02 0.01 -0.04 1.22 1.29 1miyA1 ASN 299 H 0.14 0.29 0.13 -0.55 8.53 8.55 1miyA1 ASN 299 HA 0.18 0.05 0.17 -0.75 4.76 4.41 1miyA1 ASN 299 HB2 0.11 -0.03 0.08 -0.04 2.88 2.99 1miyA1 ASN 299 HB3 0.13 0.05 -0.18 -0.04 2.79 2.75 1miyA1 ASN 299 HD21 0.06 0.03 0.01 -0.04 7.03 7.09 1miyA1 ASN 299 HD22 0.06 0.01 0.01 -0.04 7.74 7.78 1miyA1 GLU 300 H 0.17 0.03 -0.50 -0.55 8.60 7.75 1miyA1 GLU 300 HA 0.44 0.05 0.40 -0.75 4.29 4.42 1miyA1 GLU 300 HB2 0.17 -0.05 0.10 -0.04 2.09 2.27 1miyA1 GLU 300 HB3 0.26 0.02 0.03 -0.04 1.99 2.26 1miyA1 GLU 300 HG2 0.04 -0.00 0.02 -0.04 2.34 2.36 1miyA1 GLU 300 HG3 0.06 -0.02 0.02 -0.04 2.34 2.36 1miyA1 GLN 301 H 0.24 0.11 0.07 -0.55 8.47 8.34 1miyA1 GLN 301 HA 0.27 0.03 0.19 -0.75 4.36 4.10 1miyA1 GLN 301 HB2 0.39 -0.21 0.17 -0.04 2.15 2.45 1miyA1 GLN 301 HB3 0.14 0.06 0.02 -0.04 2.02 2.21 1miyA1 GLN 301 HG2 0.11 -0.01 0.08 -0.04 2.40 2.54 1miyA1 GLN 301 HG3 0.12 -0.05 0.19 -0.04 2.39 2.61 1miyA1 GLN 301 HE21 -0.16 0.11 -0.09 -0.04 6.97 6.79 1miyA1 GLN 301 HE22 -0.03 -0.05 -0.01 -0.04 7.69 7.55 1miyA1 LEU 302 H 0.44 0.37 -0.24 -0.55 8.37 8.40 1miyA1 LEU 302 HA 0.16 -0.00 0.48 -0.75 4.35 4.23 1miyA1 LEU 302 HB2 0.23 -0.01 -0.11 -0.04 1.64 1.71 1miyA1 LEU 302 HB3 0.25 0.11 -0.03 -0.04 1.64 1.92 1miyA1 LEU 302 HG 0.24 -0.03 -0.19 -0.04 1.64 1.62 1miyA1 LEU 302 HD13 -0.46 -0.02 -0.05 -0.04 0.93 0.36 1miyA1 LEU 302 HD23 0.13 0.04 -0.11 -0.04 0.89 0.90 1miyA1 PHE 303 H 0.37 0.51 -0.01 -0.55 8.34 8.65 1miyA1 PHE 303 HA 0.16 -0.00 0.52 -0.75 4.62 4.54 1miyA1 PHE 303 HB2 0.03 0.04 0.19 -0.04 3.15 3.37 1miyA1 PHE 303 HB3 0.06 0.19 0.23 -0.04 3.06 3.50 1miyA1 PHE 303 HD2 -0.32 0.15 -0.41 -0.04 7.28 6.66 1miyA1 PHE 303 HE2 -0.53 -0.06 -0.30 -0.04 7.38 6.45 1miyA1 PHE 303 HZ -0.45 -0.08 -0.74 -0.04 7.32 6.01 1miyA1 SER 304 H 0.34 0.37 -0.49 -0.55 8.46 8.14 1miyA1 SER 304 HA 0.17 -0.00 0.28 -0.75 4.49 4.19 1miyA1 SER 304 HB2 0.29 0.00 -0.01 -0.04 3.95 4.19 1miyA1 SER 304 HB3 0.20 -0.02 -0.12 -0.04 3.93 3.95 1miyA1 ALA 305 H 0.23 0.46 0.05 -0.55 8.40 8.60 1miyA1 ALA 305 HA 0.09 0.08 0.72 -0.75 4.34 4.48 1miyA1 ALA 305 HB3 0.25 -0.04 0.03 -0.04 1.41 1.61 1miyA1 GLY 306 H 0.03 0.80 -0.04 -0.55 8.43 8.67 1miyA1 GLY 306 HA2 -0.14 0.08 0.39 -0.51 4.01 3.82 1miyA1 GLY 306 HA3 -0.16 0.07 0.41 -0.51 4.01 3.83 1miyA1 LEU 307 H -1.49 0.24 0.08 -0.55 8.37 6.66 1miyA1 LEU 307 HA -0.59 0.02 0.24 -0.75 4.35 3.26 1miyA1 LEU 307 HB2 -1.83 0.09 0.10 -0.04 1.64 -0.04 1miyA1 LEU 307 HB3 -0.69 -0.06 0.10 -0.04 1.64 0.95 1miyA1 LEU 307 HG -0.30 -0.01 -0.20 -0.04 1.64 1.10 1miyA1 LEU 307 HD13 -0.24 -0.01 -0.11 -0.04 0.93 0.53 1miyA1 LEU 307 HD23 -0.13 0.03 -0.02 -0.04 0.89 0.72 1miyA1 GLU 308 H -0.33 0.11 -0.05 -0.55 8.60 7.79 1miyA1 GLU 308 HA -0.18 0.01 0.26 -0.75 4.29 3.62 1miyA1 GLU 308 HB2 -0.14 0.04 0.16 -0.04 2.09 2.11 1miyA1 GLU 308 HB3 -0.11 -0.01 0.01 -0.04 1.99 1.84 1miyA1 GLU 308 HG2 -0.15 0.00 0.05 -0.04 2.34 2.21 1miyA1 GLU 308 HG3 -0.10 0.01 0.03 -0.04 2.34 2.24 1miyA1 ARG 309 H -0.13 0.50 -0.00 -0.55 8.46 8.28 1miyA1 ARG 309 HA -0.02 -0.03 0.40 -0.75 4.34 3.93 1miyA1 ARG 309 HB2 -0.03 0.03 0.15 -0.04 1.90 2.00 1miyA1 ARG 309 HB3 0.00 0.08 -0.06 -0.04 1.80 1.78 1miyA1 ARG 309 HG2 0.07 -0.07 -0.03 -0.04 1.67 1.60 1miyA1 ARG 309 HG3 0.02 -0.06 0.03 -0.04 1.67 1.63 1miyA1 ARG 309 HD2 0.10 0.05 -0.05 -0.04 3.22 3.28 1miyA1 ARG 309 HD3 0.10 -0.03 -0.21 -0.04 3.22 3.03 1miyA1 ALA 310 H -0.19 0.28 -0.53 -0.55 8.40 7.40 1miyA1 ALA 310 HA -0.19 0.03 0.26 -0.75 4.34 3.68 1miyA1 ALA 310 HB3 -0.73 0.01 -0.02 -0.04 1.41 0.63 1miyA1 LEU 311 H -0.18 0.53 -0.08 -0.55 8.37 8.09 1miyA1 LEU 311 HA 0.23 -0.04 0.36 -0.75 4.35 4.14 1miyA1 LEU 311 HB2 -0.13 0.09 0.11 -0.04 1.64 1.67 1miyA1 LEU 311 HB3 -0.33 -0.03 -0.02 -0.04 1.64 1.22 1miyA1 LEU 311 HG -0.14 -0.02 0.03 -0.04 1.64 1.47 1miyA1 LEU 311 HD13 -0.20 -0.00 -0.15 -0.04 0.93 0.54 1miyA1 LEU 311 HD23 -0.05 -0.00 0.07 -0.04 0.89 0.86 1miyA1 SER 312 H -0.02 0.52 -0.06 -0.55 8.46 8.35 1miyA1 SER 312 HA 0.07 -0.05 0.45 -0.75 4.49 4.21 1miyA1 SER 312 HB2 0.00 0.17 0.20 -0.04 3.95 4.28 1miyA1 SER 312 HB3 0.03 -0.04 -0.02 -0.04 3.93 3.85 1miyA1 VAL 313 H 0.12 0.68 -0.28 -0.55 8.24 8.21 1miyA1 VAL 313 HA 0.12 -0.03 0.47 -0.75 4.13 3.94 1miyA1 VAL 313 HB 0.48 0.31 0.27 -0.04 2.12 3.13 1miyA1 VAL 313 HG13 0.24 -0.01 -0.17 -0.04 0.97 0.98 1miyA1 VAL 313 HG23 0.31 0.10 -0.02 -0.04 0.95 1.31 1miyA1 GLU 314 H 0.20 0.41 0.06 -0.55 8.60 8.73 1miyA1 GLU 314 HA 0.10 0.03 0.28 -0.75 4.29 3.94 1miyA1 GLU 314 HB2 0.07 0.04 0.12 -0.04 2.09 2.29 1miyA1 GLU 314 HB3 0.03 -0.04 0.08 -0.04 1.99 2.01 1miyA1 GLU 314 HG2 0.18 0.06 -0.02 -0.04 2.34 2.52 1miyA1 GLU 314 HG3 0.11 -0.07 -0.01 -0.04 2.34 2.33 1miyA1 THR 315 H 0.23 0.59 -0.22 -0.55 8.28 8.33 1miyA1 THR 315 HA 0.24 0.02 0.59 -0.75 4.39 4.49 1miyA1 THR 315 HB 0.17 0.07 0.11 -0.04 4.32 4.63 1miyA1 THR 315 HG23 0.18 -0.03 -0.04 -0.04 1.22 1.30 1miyA1 VAL 316 H 0.09 0.58 -0.13 -0.55 8.24 8.23 1miyA1 VAL 316 HA -0.00 0.05 0.58 -0.75 4.13 4.00 1miyA1 VAL 316 HB -0.01 0.06 0.10 -0.04 2.12 2.23 1miyA1 VAL 316 HG13 -0.10 -0.01 -0.07 -0.04 0.97 0.75 1miyA1 VAL 316 HG23 0.03 0.13 0.14 -0.04 0.95 1.21 1miyA1 ARG 317 H 0.04 0.72 0.09 -0.55 8.46 8.76 1miyA1 ARG 317 HA 0.04 0.04 0.33 -0.75 4.34 4.00 1miyA1 ARG 317 HB2 0.02 0.04 0.03 -0.04 1.90 1.95 1miyA1 ARG 317 HB3 0.03 0.06 0.13 -0.04 1.80 1.99 1miyA1 ARG 317 HG2 0.00 -0.03 -0.23 -0.04 1.67 1.37 1miyA1 ARG 317 HG3 0.05 0.02 0.04 -0.04 1.67 1.74 1miyA1 ARG 317 HD2 -0.13 -0.08 -0.03 -0.04 3.22 2.94 1miyA1 ARG 317 HD3 -0.06 0.08 -0.04 -0.04 3.22 3.16 1miyA1 ALA 318 H 0.07 0.36 -0.56 -0.55 8.40 7.72 1miyA1 ALA 318 HA 0.03 0.01 0.38 -0.75 4.34 4.00 1miyA1 ALA 318 HB3 0.10 0.04 0.13 -0.04 1.41 1.65 1miyA1 ALA 319 H 0.10 0.45 -0.07 -0.55 8.40 8.33 1miyA1 ALA 319 HA 0.04 -0.06 0.34 -0.75 4.34 3.92 1miyA1 ALA 319 HB3 -0.03 0.03 -0.00 -0.04 1.41 1.36 1miyA1 PHE 320 H 0.12 0.27 -0.84 -0.55 8.34 7.33 1miyA1 PHE 320 HA -0.15 0.07 0.83 -0.75 4.62 4.61 1miyA1 PHE 320 HB2 -0.15 -0.08 -0.02 -0.04 3.15 2.86 1miyA1 PHE 320 HB3 -0.14 0.11 0.14 -0.04 3.06 3.14 1miyA1 PHE 320 HD2 -0.11 0.01 0.01 -0.04 7.28 7.15 1miyA1 PHE 320 HE2 0.05 -0.03 -0.03 -0.04 7.38 7.34 1miyA1 PHE 320 HZ 0.09 -0.05 -0.03 -0.04 7.32 7.29 1miyA1 THR 321 H -0.06 0.62 0.29 -0.55 8.28 8.59 1miyA1 THR 321 HA -0.46 0.03 0.36 -0.75 4.39 3.57 1miyA1 THR 321 HB -0.11 -0.09 0.09 -0.04 4.32 4.17 1miyA1 THR 321 HG23 -0.05 0.08 0.07 -0.04 1.22 1.27 1miyA1 GLY 322 H -0.07 0.47 0.13 -0.55 8.43 8.41 1miyA1 GLY 322 HA2 -0.07 0.04 0.34 -0.51 4.01 3.82 1miyA1 GLY 322 HA3 -0.09 0.14 0.58 -0.51 4.01 4.13 1miyA1 ALA 323 H -0.04 0.06 0.05 -0.55 8.40 7.92 1miyA1 ALA 323 HA -0.00 0.11 0.43 -0.75 4.34 4.13 1miyA1 ALA 323 HB3 0.07 0.00 0.05 -0.04 1.41 1.49 1miyA1 PRO 324 HA -0.13 0.14 0.41 -0.51 4.44 4.35 1miyA1 PRO 324 HB2 -0.12 -0.07 0.12 -0.04 2.28 2.16 1miyA1 PRO 324 HB3 -0.20 0.02 0.13 -0.04 2.02 1.93 1miyA1 PRO 324 HG2 -0.09 -0.00 0.12 -0.04 2.03 2.01 1miyA1 PRO 324 HG3 -0.11 0.15 0.14 -0.04 2.03 2.17 1miyA1 PRO 324 HD2 -0.03 0.02 0.21 -0.04 3.68 3.83 1miyA1 PRO 324 HD3 -0.04 0.24 0.32 -0.04 3.65 4.14 1miyA1 PRO 325 HA 0.12 0.10 0.47 -0.51 4.44 4.61 1miyA1 PRO 325 HB2 -0.20 -0.00 -0.06 -0.04 2.28 1.97 1miyA1 PRO 325 HB3 -0.37 -0.01 -0.09 -0.04 2.02 1.52 1miyA1 PRO 325 HG2 0.30 0.08 0.09 -0.04 2.03 2.46 1miyA1 PRO 325 HG3 0.07 0.17 0.12 -0.04 2.03 2.35 1miyA1 PRO 325 HD2 -0.33 0.04 0.21 -0.04 3.68 3.57 1miyA1 PRO 325 HD3 -0.16 0.22 0.23 -0.04 3.65 3.90 1miyA1 GLY 326 H -0.12 0.16 -0.13 -0.55 8.43 7.80 1miyA1 GLY 326 HA2 0.05 0.03 0.34 -0.51 4.01 3.92 1miyA1 GLY 326 HA3 -0.09 0.10 0.24 -0.51 4.01 3.75 1miyA1 PRO 327 HA -0.22 0.04 0.34 -0.51 4.44 4.09 1miyA1 PRO 327 HB2 -1.06 0.05 -0.03 -0.04 2.28 1.20 1miyA1 PRO 327 HB3 -0.48 0.02 0.05 -0.04 2.02 1.57 1miyA1 PRO 327 HG2 -0.36 0.11 0.01 -0.04 2.03 1.76 1miyA1 PRO 327 HG3 -0.25 0.02 0.03 -0.04 2.03 1.79 1miyA1 PRO 327 HD2 -0.22 0.34 -0.27 -0.04 3.68 3.49 1miyA1 PRO 327 HD3 -0.17 0.06 0.01 -0.04 3.65 3.51 1miyA1 TRP 328 H -0.26 0.35 -0.21 -0.55 7.97 7.30 1miyA1 TRP 328 HA 0.00 0.04 0.45 -0.75 4.62 4.36 1miyA1 TRP 328 HB2 -0.12 0.09 0.20 -0.04 3.23 3.36 1miyA1 TRP 328 HB3 -0.00 -0.02 0.04 -0.04 3.23 3.21 1miyA1 TRP 328 HD1 -0.06 0.11 0.02 -0.04 7.22 7.24 1miyA1 TRP 328 HE1 -0.02 0.05 -0.04 -0.04 10.20 10.15 1miyA1 TRP 328 HE3 0.04 -0.03 -0.03 -0.04 7.59 7.54 1miyA1 TRP 328 HZ2 0.01 0.03 -0.04 -0.04 7.44 7.40 1miyA1 TRP 328 HZ3 0.05 0.03 -0.11 -0.04 7.13 7.07 1miyA1 TRP 328 HH2 0.03 0.01 -0.06 -0.04 7.19 7.12 1miyA1 HIS 329 H 0.07 0.54 0.07 -0.55 8.41 8.54 1miyA1 HIS 329 HA 0.05 -0.07 0.43 -0.75 4.63 4.28 1miyA1 HIS 329 HB2 0.08 0.28 0.04 -0.04 3.26 3.62 1miyA1 HIS 329 HB3 0.06 -0.04 -0.06 -0.04 3.20 3.12 1miyA1 HIS 329 HD2 0.06 -0.11 0.07 -0.04 6.97 6.95 1miyA1 HIS 329 HE1 0.42 0.06 -0.06 -0.04 7.75 8.14 1miyA1 GLU 330 H 0.08 0.43 -0.51 -0.55 8.60 8.06 1miyA1 GLU 330 HA 0.04 0.01 0.44 -0.75 4.29 4.02 1miyA1 GLU 330 HB2 0.01 -0.02 0.02 -0.04 2.09 2.05 1miyA1 GLU 330 HB3 -0.05 0.11 0.08 -0.04 1.99 2.09 1miyA1 GLU 330 HG2 -0.04 -0.02 -0.05 -0.04 2.34 2.19 1miyA1 GLU 330 HG3 -0.02 0.02 -0.27 -0.04 2.34 2.02 1miyA1 LYS 331 H 0.04 0.53 0.07 -0.55 8.42 8.51 1miyA1 LYS 331 HA 0.04 0.05 0.67 -0.75 4.32 4.33 1miyA1 LYS 331 HB2 0.15 0.10 0.25 -0.04 1.87 2.33 1miyA1 LYS 331 HB3 0.18 -0.04 0.01 -0.04 1.79 1.91 1miyA1 LYS 331 HG2 0.06 -0.03 0.05 -0.04 1.46 1.49 1miyA1 LYS 331 HG3 -0.03 -0.01 0.04 -0.04 1.46 1.41 1miyA1 LYS 331 HD2 -0.25 -0.00 -0.06 -0.04 1.69 1.34 1miyA1 LYS 331 HD3 -0.04 -0.03 -0.02 -0.04 1.68 1.55 1miyA1 LYS 331 HE2 -0.17 -0.03 -0.02 -0.04 2.99 2.74 1miyA1 LYS 331 HE3 -0.31 0.11 -0.01 -0.04 2.99 2.74 1miyA1 LEU 332 H 0.10 0.78 0.01 -0.55 8.37 8.71 1miyA1 LEU 332 HA -0.01 0.02 0.46 -0.75 4.35 4.07 1miyA1 LEU 332 HB2 -0.03 0.10 0.11 -0.04 1.64 1.78 1miyA1 LEU 332 HB3 -0.21 -0.10 -0.01 -0.04 1.64 1.27 1miyA1 LEU 332 HG 0.07 0.22 -0.13 -0.04 1.64 1.76 1miyA1 LEU 332 HD13 -0.17 -0.03 -0.20 -0.04 0.93 0.49 1miyA1 LEU 332 HD23 -0.42 -0.00 -0.06 -0.04 0.89 0.36 1miyA1 ARG 333 H 0.03 0.67 -0.07 -0.55 8.46 8.53 1miyA1 ARG 333 HA 0.02 -0.07 0.27 -0.75 4.34 3.82 1miyA1 ARG 333 HB2 0.02 0.16 0.19 -0.04 1.90 2.23 1miyA1 ARG 333 HB3 0.02 -0.01 -0.02 -0.04 1.80 1.75 1miyA1 ARG 333 HG2 -0.03 -0.09 0.04 -0.04 1.67 1.55 1miyA1 ARG 333 HG3 -0.03 0.04 0.06 -0.04 1.67 1.69 1miyA1 ARG 333 HD2 0.00 0.03 -0.04 -0.04 3.22 3.17 1miyA1 ARG 333 HD3 -0.01 -0.02 -0.01 -0.04 3.22 3.14 1miyA1 ARG 334 H 0.04 0.22 -0.75 -0.55 8.46 7.42 1miyA1 ARG 334 HA 0.04 0.06 0.53 -0.75 4.34 4.21 1miyA1 ARG 334 HB2 0.04 0.15 0.21 -0.04 1.90 2.26 1miyA1 ARG 334 HB3 0.03 -0.04 -0.02 -0.04 1.80 1.73 1miyA1 ARG 334 HG2 0.02 -0.06 0.01 -0.04 1.67 1.60 1miyA1 ARG 334 HG3 0.02 0.26 0.10 -0.04 1.67 2.01 1miyA1 ARG 334 HD2 0.01 -0.01 0.05 -0.04 3.22 3.23 1miyA1 ARG 334 HD3 0.01 -0.04 0.01 -0.04 3.22 3.15 1miyA1 ARG 335 H 0.06 0.63 0.11 -0.55 8.46 8.71 1miyA1 ARG 335 HA 0.06 0.02 0.30 -0.75 4.34 3.96 1miyA1 ARG 335 HB2 0.08 0.05 0.22 -0.04 1.90 2.21 1miyA1 ARG 335 HB3 0.10 -0.08 -0.01 -0.04 1.80 1.76 1miyA1 ARG 335 HG2 0.08 -0.03 0.05 -0.04 1.67 1.73 1miyA1 ARG 335 HG3 0.08 0.15 0.10 -0.04 1.67 1.96 1miyA1 ARG 335 HD2 0.12 0.01 -0.01 -0.04 3.22 3.30 1miyA1 ARG 335 HD3 0.13 -0.01 -0.06 -0.04 3.22 3.24 1miyA1 PHE 336 H 0.17 0.73 -0.23 -0.55 8.34 8.46 1miyA1 PHE 336 HA -0.01 -0.00 0.29 -0.75 4.62 4.14 1miyA1 PHE 336 HB2 -0.08 -0.06 0.03 -0.04 3.15 3.00 1miyA1 PHE 336 HB3 -0.06 0.10 -0.01 -0.04 3.06 3.05 1miyA1 PHE 336 HD2 -0.07 0.05 -0.11 -0.04 7.28 7.12 1miyA1 PHE 336 HE2 -0.15 0.09 0.06 -0.04 7.38 7.34 1miyA1 PHE 336 HZ -0.18 0.06 0.07 -0.04 7.32 7.22 1miyA1 ALA 337 H 0.07 0.47 -0.44 -0.55 8.40 7.96 1miyA1 ALA 337 HA -0.12 0.08 0.68 -0.75 4.34 4.22 1miyA1 ALA 337 HB3 0.03 -0.01 0.15 -0.04 1.41 1.54 1miyA1 SER 338 H -0.05 0.26 -0.44 -0.55 8.46 7.69 1miyA1 SER 338 HA -0.03 0.11 0.76 -0.75 4.49 4.58 1miyA1 SER 338 HB2 0.01 -0.00 -0.05 -0.04 3.95 3.86 1miyA1 SER 338 HB3 0.00 -0.08 0.05 -0.04 3.93 3.86 1miyA1 LEU 339 H -0.08 0.17 0.07 -0.55 8.37 7.98 1miyA1 LEU 339 HA 0.01 0.05 0.59 -0.75 4.35 4.25 1miyA1 LEU 339 HB2 -0.29 0.09 0.18 -0.04 1.64 1.57 1miyA1 LEU 339 HB3 0.01 0.14 0.15 -0.04 1.64 1.90 1miyA1 LEU 339 HG -0.02 0.05 0.05 -0.04 1.64 1.68 1miyA1 LEU 339 HD13 -0.01 -0.04 0.09 -0.04 0.93 0.93 1miyA1 LEU 339 HD23 0.12 -0.02 0.07 -0.04 0.89 1.02 1miyA1 PRO 340 HA -0.02 0.06 0.22 -0.51 4.44 4.20 1miyA1 PRO 340 HB2 0.01 -0.05 -0.12 -0.04 2.28 2.08 1miyA1 PRO 340 HB3 -0.00 -0.07 0.10 -0.04 2.02 2.01 1miyA1 PRO 340 HG2 0.01 0.17 0.17 -0.04 2.03 2.33 1miyA1 PRO 340 HG3 0.00 0.07 0.18 -0.04 2.03 2.24 1miyA1 PRO 340 HD2 0.04 0.00 0.26 -0.04 3.68 3.95 1miyA1 PRO 340 HD3 0.02 0.13 0.41 -0.04 3.65 4.18 1miyA1 ILE 341 H 0.06 0.20 -0.40 -0.55 8.25 7.56 1miyA1 ILE 341 HA -0.02 0.09 0.28 -0.75 4.18 3.78 1miyA1 ILE 341 HB 0.12 -0.06 0.05 -0.04 1.89 1.96 1miyA1 ILE 341 HG12 0.11 -0.01 -0.17 -0.04 1.49 1.37 1miyA1 ILE 341 HG13 0.38 0.03 -0.17 -0.04 1.21 1.41 1miyA1 ILE 341 HG23 0.04 0.01 -0.09 -0.04 0.93 0.84 1miyA1 ILE 341 HD13 0.17 0.02 -0.05 -0.04 0.88 0.98 1miyA1 LYS 342 H -0.13 -0.02 0.14 -0.55 8.42 7.86 1miyA1 LYS 342 HA -0.48 0.30 1.12 -0.75 4.32 4.51 1miyA1 LYS 342 HB2 -0.25 -0.07 0.06 -0.04 1.87 1.56 1miyA1 LYS 342 HB3 -0.44 -0.06 0.12 -0.04 1.79 1.36 1miyA1 LYS 342 HG2 -1.01 -0.02 0.03 -0.04 1.46 0.41 1miyA1 LYS 342 HG3 -0.78 0.18 -0.08 -0.04 1.46 0.73 1miyA1 LYS 342 HD2 -0.21 -0.12 -0.28 -0.04 1.69 1.04 1miyA1 LYS 342 HD3 -0.20 -0.11 -0.05 -0.04 1.68 1.28 1miyA1 LYS 342 HE2 -0.18 -0.11 -0.02 -0.04 2.99 2.64 1miyA1 LYS 342 HE3 -0.31 0.19 -0.01 -0.04 2.99 2.82 1miyA1 THR 343 H -0.18 0.01 0.16 -0.55 8.28 7.73 1miyA1 THR 343 HA -0.53 0.33 0.82 -0.75 4.39 4.26 1miyA1 THR 343 HB -0.12 -0.20 0.14 -0.04 4.32 4.11 1miyA1 THR 343 HG23 -0.13 0.04 -0.07 -0.04 1.22 1.03 1miyA1 LYS 344 H -0.10 0.20 0.15 -0.55 8.42 8.12 1miyA1 LYS 344 HA 0.09 0.16 0.58 -0.75 4.32 4.39 1miyA1 LYS 344 HB2 -0.03 -0.01 0.14 -0.04 1.87 1.93 1miyA1 LYS 344 HB3 0.01 0.02 0.02 -0.04 1.79 1.80 1miyA1 LYS 344 HG2 -0.30 0.02 0.00 -0.04 1.46 1.14 1miyA1 LYS 344 HG3 -0.11 0.05 -0.01 -0.04 1.46 1.35 1miyA1 LYS 344 HD2 -0.00 -0.02 0.01 -0.04 1.69 1.64 1miyA1 LYS 344 HD3 0.06 -0.02 -0.01 -0.04 1.68 1.66 1miyA1 LYS 344 HE2 0.10 0.00 -0.02 -0.04 2.99 3.03 1miyA1 LYS 344 HE3 -0.12 0.06 -0.02 -0.04 2.99 2.87 1miyA1 GLY 345 H -0.03 0.06 -0.04 -0.55 8.43 7.87 1miyA1 GLY 345 HA2 -0.01 0.09 0.31 -0.51 4.01 3.90 1miyA1 GLY 345 HA3 -0.02 0.04 0.26 -0.51 4.01 3.77 1miyA1 GLU 346 H -0.01 0.02 -0.51 -0.55 8.60 7.55 1miyA1 GLU 346 HA -0.00 0.11 0.48 -0.75 4.29 4.12 1miyA1 GLU 346 HB2 -0.01 -0.09 0.07 -0.04 2.09 2.02 1miyA1 GLU 346 HB3 0.01 0.08 -0.01 -0.04 1.99 2.03 1miyA1 GLU 346 HG2 -0.02 0.08 0.08 -0.04 2.34 2.44 1miyA1 GLU 346 HG3 -0.03 -0.04 0.01 -0.04 2.34 2.25 1miyA1 LEU 347 H 0.04 0.35 -0.29 -0.55 8.37 7.93 1miyA1 LEU 347 HA 0.05 -0.02 0.27 -0.75 4.35 3.89 1miyA1 LEU 347 HB2 0.07 0.24 0.21 -0.04 1.64 2.12 1miyA1 LEU 347 HB3 0.04 0.06 0.10 -0.04 1.64 1.81 1miyA1 LEU 347 HG 0.07 -0.07 -0.05 -0.04 1.64 1.54 1miyA1 LEU 347 HD13 0.08 0.00 -0.01 -0.04 0.93 0.96 1miyA1 LEU 347 HD23 0.14 -0.01 0.02 -0.04 0.89 1.01 1miyA1 ALA 348 H 0.04 0.12 0.13 -0.55 8.40 8.15 1miyA1 ALA 348 HA 0.02 0.14 0.17 -0.75 4.34 3.92 1miyA1 ALA 348 HB3 0.05 -0.00 -0.03 -0.04 1.41 1.38 1miyA1 VAL 349 H 0.04 0.11 -1.07 -0.55 8.24 6.77 1miyA1 VAL 349 HA -0.02 0.09 0.76 -0.75 4.13 4.20 1miyA1 VAL 349 HB 0.10 -0.02 -0.13 -0.04 2.12 2.03 1miyA1 VAL 349 HG13 0.04 -0.01 -0.32 -0.04 0.97 0.65 1miyA1 VAL 349 HG23 0.27 -0.01 -0.23 -0.04 0.95 0.94 1miyA1 ASN 350 H -0.18 0.11 0.16 -0.55 8.53 8.08 1miyA1 ASN 350 HA -0.07 0.24 0.55 -0.75 4.76 4.73 1miyA1 ASN 350 HB2 -0.08 0.19 0.01 -0.04 2.88 2.96 1miyA1 ASN 350 HB3 -0.16 -0.03 0.14 -0.04 2.79 2.70 1miyA1 ASN 350 HD21 -0.07 0.05 0.00 -0.04 7.03 6.97 1miyA1 ASN 350 HD22 -0.09 0.10 -0.00 -0.04 7.74 7.71 1miyA1 GLY 351 H -0.07 0.26 0.17 -0.55 8.43 8.24 1miyA1 GLY 351 HA2 -0.12 0.12 0.39 -0.51 4.01 3.88 1miyA1 GLY 351 HA3 -0.10 0.10 0.33 -0.51 4.01 3.82 1miyA1 LYS 352 H -0.11 0.10 -0.28 -0.55 8.42 7.57 1miyA1 LYS 352 HA -0.08 0.11 0.49 -0.75 4.32 4.09 1miyA1 LYS 352 HB2 -0.10 0.01 -0.01 -0.04 1.87 1.73 1miyA1 LYS 352 HB3 -0.07 0.06 0.04 -0.04 1.79 1.78 1miyA1 LYS 352 HG2 -0.05 0.03 0.00 -0.04 1.46 1.41 1miyA1 LYS 352 HG3 -0.07 -0.08 0.02 -0.04 1.46 1.30 1miyA1 LYS 352 HD2 -0.05 0.01 0.00 -0.04 1.69 1.61 1miyA1 LYS 352 HD3 -0.04 0.03 -0.00 -0.04 1.68 1.63 1miyA1 LYS 352 HE2 -0.03 -0.01 -0.00 -0.04 2.99 2.91 1miyA1 LYS 352 HE3 -0.03 0.01 -0.00 -0.04 2.99 2.93 1miyA1 ASP 353 H -0.26 0.24 -0.34 -0.55 8.40 7.49 1miyA1 ASP 353 HA -0.60 0.08 0.35 -0.75 4.63 3.71 1miyA1 ASP 353 HB2 -0.53 0.23 0.23 -0.04 2.71 2.60 1miyA1 ASP 353 HB3 -1.55 0.05 -0.02 -0.04 2.70 1.15 1miyA1 VAL 354 H -0.26 0.29 -0.22 -0.55 8.24 7.51 1miyA1 VAL 354 HA 0.32 0.08 0.29 -0.75 4.13 4.06 1miyA1 VAL 354 HB -0.07 0.00 0.05 -0.04 2.12 2.07 1miyA1 VAL 354 HG13 -0.17 0.01 -0.18 -0.04 0.97 0.58 1miyA1 VAL 354 HG23 0.32 0.00 -0.06 -0.04 0.95 1.17 1miyA1 ILE 355 H -0.00 0.20 -0.47 -0.55 8.25 7.43 1miyA1 ILE 355 HA 0.53 0.09 0.60 -0.75 4.18 4.64 1miyA1 ILE 355 HB 0.06 0.05 0.19 -0.04 1.89 2.15 1miyA1 ILE 355 HG12 0.34 0.07 -0.14 -0.04 1.49 1.72 1miyA1 ILE 355 HG13 0.03 0.00 -0.03 -0.04 1.21 1.17 1miyA1 ILE 355 HG23 0.18 0.07 -0.11 -0.04 0.93 1.02 1miyA1 ILE 355 HD13 -0.00 -0.05 -0.00 -0.04 0.88 0.79 1miyA1 GLU 356 H 0.02 0.49 0.07 -0.55 8.60 8.63 1miyA1 GLU 356 HA 0.12 0.02 0.32 -0.75 4.29 4.00 1miyA1 GLU 356 HB2 0.02 -0.05 0.13 -0.04 2.09 2.15 1miyA1 GLU 356 HB3 -0.07 0.07 0.14 -0.04 1.99 2.09 1miyA1 GLU 356 HG2 0.03 -0.05 0.03 -0.04 2.34 2.31 1miyA1 GLU 356 HG3 0.15 0.04 0.04 -0.04 2.34 2.52 1miyA1 TRP 357 H 0.37 -0.04 -1.71 -0.55 7.97 6.04 1miyA1 TRP 357 HA 0.16 0.16 0.76 -0.75 4.62 4.95 1miyA1 TRP 357 HB2 0.22 0.00 0.03 -0.04 3.23 3.44 1miyA1 TRP 357 HB3 0.29 -0.03 -0.11 -0.04 3.23 3.35 1miyA1 TRP 357 HD1 0.03 0.12 -0.29 -0.04 7.22 7.04 1miyA1 TRP 357 HE1 -0.14 -0.05 -0.06 -0.04 10.20 9.91 1miyA1 TRP 357 HE3 0.25 0.03 -0.17 -0.04 7.59 7.66 1miyA1 TRP 357 HZ2 0.03 -0.05 -0.09 -0.04 7.44 7.28 1miyA1 TRP 357 HZ3 0.21 0.03 -0.27 -0.04 7.13 7.05 1miyA1 TRP 357 HH2 0.15 0.02 -0.12 -0.04 7.19 7.20 1miyA1 VAL 358 H 0.42 0.36 0.11 -0.55 8.24 8.58 1miyA1 VAL 358 HA 0.10 0.14 0.70 -0.75 4.13 4.32 1miyA1 VAL 358 HB 0.07 0.00 0.06 -0.04 2.12 2.21 1miyA1 VAL 358 HG13 -0.26 -0.01 0.05 -0.04 0.97 0.71 1miyA1 VAL 358 HG23 0.37 0.01 -0.02 -0.04 0.95 1.27 1miyA1 GLY 359 H 0.18 0.24 -0.20 -0.55 8.43 8.10 1miyA1 GLY 359 HA2 0.09 0.00 0.24 -0.51 4.01 3.83 1miyA1 GLY 359 HA3 0.04 -0.01 0.21 -0.51 4.01 3.74 1miyA1 LYS 360 H 0.08 0.13 -0.10 -0.55 8.42 7.97 1miyA1 LYS 360 HA -0.08 0.15 0.67 -0.75 4.32 4.31 1miyA1 LYS 360 HB2 -0.49 0.12 -0.08 -0.04 1.87 1.38 1miyA1 LYS 360 HB3 -0.48 -0.09 -0.05 -0.04 1.79 1.12 1miyA1 LYS 360 HG2 -0.73 -0.09 -0.04 -0.04 1.46 0.56 1miyA1 LYS 360 HG3 -0.13 0.07 0.12 -0.04 1.46 1.48 1miyA1 LYS 360 HD2 -0.25 -0.05 0.03 -0.04 1.69 1.38 1miyA1 LYS 360 HD3 -0.32 0.07 0.04 -0.04 1.68 1.43 1miyA1 LYS 360 HE2 -1.28 -0.10 -0.03 -0.04 2.99 1.54 1miyA1 LYS 360 HE3 -0.40 -0.03 -0.01 -0.04 2.99 2.52 1miyA1 PRO 361 HA 0.11 0.04 0.54 -0.51 4.44 4.63 1miyA1 PRO 361 HB2 0.09 0.12 0.02 -0.04 2.28 2.47 1miyA1 PRO 361 HB3 0.06 0.01 0.10 -0.04 2.02 2.15 1miyA1 PRO 361 HG2 0.12 0.00 -0.07 -0.04 2.03 2.05 1miyA1 PRO 361 HG3 0.05 0.04 0.04 -0.04 2.03 2.11 1miyA1 PRO 361 HD2 -0.04 0.09 0.20 -0.04 3.68 3.89 1miyA1 PRO 361 HD3 0.01 0.15 0.12 -0.04 3.65 3.89 1miyA1 ALA 362 H 0.12 0.07 0.14 -0.55 8.40 8.18 1miyA1 ALA 362 HA 0.17 0.03 0.45 -0.75 4.34 4.24 1miyA1 ALA 362 HB3 0.04 0.00 0.09 -0.04 1.41 1.51 1miyA1 GLY 363 H -0.02 0.12 0.16 -0.55 8.43 8.14 1miyA1 GLY 363 HA2 0.06 0.10 0.32 -0.51 4.01 3.98 1miyA1 GLY 363 HA3 0.19 0.14 0.42 -0.51 4.01 4.25 1miyA1 PRO 364 HA -0.00 0.10 0.66 -0.51 4.44 4.70 1miyA1 PRO 364 HB2 0.11 0.05 0.06 -0.04 2.28 2.46 1miyA1 PRO 364 HB3 0.05 0.06 0.09 -0.04 2.02 2.18 1miyA1 PRO 364 HG2 0.08 0.10 0.08 -0.04 2.03 2.25 1miyA1 PRO 364 HG3 0.05 0.06 0.06 -0.04 2.03 2.16 1miyA1 PRO 364 HD2 0.19 0.13 0.20 -0.04 3.68 4.15 1miyA1 PRO 364 HD3 0.10 0.18 0.22 -0.04 3.65 4.11 1miyA1 TRP 365 H 0.40 0.21 -0.03 -0.55 7.97 8.01 1miyA1 TRP 365 HA 0.02 0.08 0.35 -0.75 4.62 4.32 1miyA1 TRP 365 HB2 0.02 0.07 -0.00 -0.04 3.23 3.28 1miyA1 TRP 365 HB3 0.02 0.04 0.07 -0.04 3.23 3.32 1miyA1 TRP 365 HD1 0.02 -0.05 -0.08 -0.04 7.22 7.07 1miyA1 TRP 365 HE1 0.03 0.40 -0.08 -0.04 10.20 10.51 1miyA1 TRP 365 HE3 0.04 -0.01 -0.22 -0.04 7.59 7.37 1miyA1 TRP 365 HZ2 0.05 0.01 -0.16 -0.04 7.44 7.30 1miyA1 TRP 365 HZ3 0.09 0.02 -0.09 -0.04 7.13 7.11 1miyA1 TRP 365 HH2 0.11 0.32 -0.14 -0.04 7.19 7.44 1miyA1 VAL 366 H -1.05 0.10 -0.54 -0.55 8.24 6.20 1miyA1 VAL 366 HA -1.50 0.07 0.21 -0.75 4.13 2.15 1miyA1 VAL 366 HB -0.48 0.13 0.09 -0.04 2.12 1.82 1miyA1 VAL 366 HG13 -0.36 -0.00 -0.08 -0.04 0.97 0.49 1miyA1 VAL 366 HG23 -1.04 -0.00 -0.02 -0.04 0.95 -0.15 1miyA1 LYS 367 H -0.21 0.28 -0.12 -0.55 8.42 7.81 1miyA1 LYS 367 HA -0.07 -0.00 0.47 -0.75 4.32 3.96 1miyA1 LYS 367 HB2 -0.05 0.01 0.15 -0.04 1.87 1.94 1miyA1 LYS 367 HB3 -0.03 0.11 0.20 -0.04 1.79 2.03 1miyA1 LYS 367 HG2 0.02 -0.02 -0.19 -0.04 1.46 1.23 1miyA1 LYS 367 HG3 0.02 -0.02 0.02 -0.04 1.46 1.44 1miyA1 LYS 367 HD2 0.01 0.01 0.04 -0.04 1.69 1.71 1miyA1 LYS 367 HD3 0.02 0.01 -0.00 -0.04 1.68 1.67 1miyA1 LYS 367 HE2 0.05 0.01 -0.03 -0.04 2.99 2.98 1miyA1 LYS 367 HE3 0.05 -0.02 -0.01 -0.04 2.99 2.96 1miyA1 GLU 368 H -0.01 0.26 -0.05 -0.55 8.60 8.25 1miyA1 GLU 368 HA 0.02 -0.02 0.28 -0.75 4.29 3.81 1miyA1 GLU 368 HB2 0.08 0.13 0.10 -0.04 2.09 2.37 1miyA1 GLU 368 HB3 0.07 0.03 -0.04 -0.04 1.99 2.01 1miyA1 GLU 368 HG2 0.04 0.01 0.03 -0.04 2.34 2.38 1miyA1 GLU 368 HG3 0.04 -0.04 0.05 -0.04 2.34 2.34 1miyA1 ALA 369 H -0.05 0.32 -0.74 -0.55 8.40 7.38 1miyA1 ALA 369 HA 0.15 0.06 0.41 -0.75 4.34 4.20 1miyA1 ALA 369 HB3 0.03 0.03 0.07 -0.04 1.41 1.51 1miyA1 LEU 370 H -0.04 0.55 0.21 -0.55 8.37 8.55 1miyA1 LEU 370 HA 0.07 -0.02 0.32 -0.75 4.35 3.96 1miyA1 LEU 370 HB2 0.02 0.05 0.19 -0.04 1.64 1.86 1miyA1 LEU 370 HB3 0.08 -0.03 0.05 -0.04 1.64 1.69 1miyA1 LEU 370 HG -0.07 0.07 0.09 -0.04 1.64 1.68 1miyA1 LEU 370 HD13 -0.07 -0.04 0.01 -0.04 0.93 0.78 1miyA1 LEU 370 HD23 0.00 -0.01 -0.20 -0.04 0.89 0.64 1miyA1 ASP 371 H 0.03 0.81 -0.06 -0.55 8.40 8.63 1miyA1 ASP 371 HA 0.03 -0.05 0.40 -0.75 4.63 4.25 1miyA1 ASP 371 HB2 0.02 0.03 -0.24 -0.04 2.71 2.48 1miyA1 ASP 371 HB3 -0.04 0.24 0.01 -0.04 2.70 2.87 1miyA1 ALA 372 H -0.03 0.57 -0.34 -0.55 8.40 8.06 1miyA1 ALA 372 HA -0.26 0.00 0.52 -0.75 4.34 3.85 1miyA1 ALA 372 HB3 0.10 0.01 0.10 -0.04 1.41 1.58 1miyA1 ILE 373 H -0.00 0.38 -0.11 -0.55 8.25 7.97 1miyA1 ILE 373 HA -0.46 0.12 0.68 -0.75 4.18 3.77 1miyA1 ILE 373 HB 0.04 0.02 0.09 -0.04 1.89 2.01 1miyA1 ILE 373 HG12 0.37 0.01 -0.09 -0.04 1.49 1.74 1miyA1 ILE 373 HG13 0.22 0.35 -0.10 -0.04 1.21 1.63 1miyA1 ILE 373 HG23 -0.05 -0.03 -0.09 -0.04 0.93 0.72 1miyA1 ILE 373 HD13 0.18 -0.06 -0.17 -0.04 0.88 0.79 1miyA1 TRP 374 H -0.06 0.65 0.04 -0.55 7.97 8.05 1miyA1 TRP 374 HA -0.18 0.03 0.53 -0.75 4.62 4.25 1miyA1 TRP 374 HB2 -0.26 -0.01 0.07 -0.04 3.23 2.99 1miyA1 TRP 374 HB3 -0.10 0.02 0.11 -0.04 3.23 3.22 1miyA1 TRP 374 HD1 -0.04 -0.04 -0.04 -0.04 7.22 7.05 1miyA1 TRP 374 HE1 -0.02 -0.05 0.01 -0.04 10.20 10.10 1miyA1 TRP 374 HE3 -0.64 -0.11 -0.51 -0.04 7.59 6.29 1miyA1 TRP 374 HZ2 -0.01 -0.01 -0.04 -0.04 7.44 7.34 1miyA1 TRP 374 HZ3 -0.33 -0.04 -0.06 -0.04 7.13 6.65 1miyA1 TRP 374 HH2 -0.04 -0.03 -0.07 -0.04 7.19 7.01 1miyA1 ARG 375 H -1.11 0.44 -0.09 -0.55 8.46 7.15 1miyA1 ARG 375 HA -0.60 -0.03 0.29 -0.75 4.34 3.24 1miyA1 ARG 375 HB2 -0.66 0.12 0.07 -0.04 1.90 1.40 1miyA1 ARG 375 HB3 -0.45 -0.01 0.08 -0.04 1.80 1.38 1miyA1 ARG 375 HG2 -2.10 -0.09 0.04 -0.04 1.67 -0.53 1miyA1 ARG 375 HG3 -1.88 0.18 0.09 -0.04 1.67 0.02 1miyA1 ARG 375 HD2 -0.37 0.03 0.01 -0.04 3.22 2.85 1miyA1 ARG 375 HD3 -0.38 -0.07 0.01 -0.04 3.22 2.73 1miyA1 ALA 376 H -0.35 0.10 -1.42 -0.55 8.40 6.20 1miyA1 ALA 376 HA -0.24 0.10 0.79 -0.75 4.34 4.24 1miyA1 ALA 376 HB3 -0.91 0.09 0.09 -0.04 1.41 0.64 1miyA1 VAL 377 H -0.23 0.49 0.20 -0.55 8.24 8.15 1miyA1 VAL 377 HA -0.15 0.42 0.44 -0.75 4.13 4.08 1miyA1 VAL 377 HB -0.01 -0.06 0.21 -0.04 2.12 2.23 1miyA1 VAL 377 HG13 -0.01 -0.02 -0.19 -0.04 0.97 0.70 1miyA1 VAL 377 HG23 -0.11 0.13 0.07 -0.04 0.95 0.99 1miyA1 VAL 378 H 0.00 0.76 0.03 -0.55 8.24 8.48 1miyA1 VAL 378 HA 0.05 0.02 0.33 -0.75 4.13 3.78 1miyA1 VAL 378 HB 0.13 -0.04 -0.04 -0.04 2.12 2.14 1miyA1 VAL 378 HG13 0.17 -0.01 -0.26 -0.04 0.97 0.83 1miyA1 VAL 378 HG23 -0.15 0.01 -0.05 -0.04 0.95 0.73 1miyA1 ASN 379 H -0.04 0.21 -0.38 -0.55 8.53 7.78 1miyA1 ASN 379 HA 0.03 0.03 0.37 -0.75 4.76 4.44 1miyA1 ASN 379 HB2 -0.04 0.14 0.12 -0.04 2.88 3.06 1miyA1 ASN 379 HB3 0.01 -0.01 0.19 -0.04 2.79 2.93 1miyA1 ASN 379 HD21 0.04 -0.15 0.02 -0.04 7.03 6.89 1miyA1 ASN 379 HD22 0.03 0.04 0.06 -0.04 7.74 7.83 1miyA1 GLY 380 H -0.03 0.31 -1.14 -0.55 8.43 7.02 1miyA1 GLY 380 HA2 -0.03 0.11 0.22 -0.51 4.01 3.81 1miyA1 GLY 380 HA3 -0.00 -0.01 0.30 -0.51 4.01 3.78 1miyA1 GLU 381 H -0.07 0.22 -0.37 -0.55 8.60 7.84 1miyA1 GLU 381 HA 0.01 0.02 0.37 -0.75 4.29 3.94 1miyA1 GLU 381 HB2 -0.14 0.02 0.15 -0.04 2.09 2.08 1miyA1 GLU 381 HB3 0.08 -0.05 -0.01 -0.04 1.99 1.96 1miyA1 GLU 381 HG2 0.05 -0.03 0.01 -0.04 2.34 2.33 1miyA1 GLU 381 HG3 -0.01 0.07 -0.07 -0.04 2.34 2.29 1miyA1 VAL 382 H -0.25 0.34 -0.14 -0.55 8.24 7.64 1miyA1 VAL 382 HA -0.04 0.11 0.78 -0.75 4.13 4.22 1miyA1 VAL 382 HB -0.33 0.02 -0.11 -0.04 2.12 1.66 1miyA1 VAL 382 HG13 -0.90 0.01 -0.12 -0.04 0.97 -0.07 1miyA1 VAL 382 HG23 -0.00 0.01 -0.20 -0.04 0.95 0.71 1miyA1 GLU 383 H -0.02 0.06 0.04 -0.55 8.60 8.13 1miyA1 GLU 383 HA -0.02 0.17 0.36 -0.75 4.29 4.04 1miyA1 GLU 383 HB2 0.02 -0.14 0.01 -0.04 2.09 1.94 1miyA1 GLU 383 HB3 0.01 -0.04 0.10 -0.04 1.99 2.01 1miyA1 GLU 383 HG2 0.00 0.12 0.05 -0.04 2.34 2.47 1miyA1 GLU 383 HG3 0.02 -0.02 0.07 -0.04 2.34 2.37 1miyA1 ASN 384 H -0.00 0.19 0.04 -0.55 8.53 8.21 1miyA1 ASN 384 HA 0.00 0.21 0.88 -0.75 4.76 5.10 1miyA1 ASN 384 HB2 -0.00 0.10 0.02 -0.04 2.88 2.96 1miyA1 ASN 384 HB3 0.01 0.05 0.23 -0.04 2.79 3.05 1miyA1 ASN 384 HD21 0.03 0.00 -0.03 -0.04 7.03 6.99 1miyA1 ASN 384 HD22 0.02 0.12 0.08 -0.04 7.74 7.92 1miyA1 GLU 385 H 0.04 0.20 -0.33 -0.55 8.60 7.96 1miyA1 GLU 385 HA 0.05 0.24 0.76 -0.75 4.29 4.59 1miyA1 GLU 385 HB2 0.04 0.09 -0.05 -0.04 2.09 2.12 1miyA1 GLU 385 HB3 0.05 -0.11 -0.01 -0.04 1.99 1.88 1miyA1 GLU 385 HG2 0.05 -0.03 0.15 -0.04 2.34 2.48 1miyA1 GLU 385 HG3 0.04 0.11 0.05 -0.04 2.34 2.49 1miyA1 LYS 386 H 0.10 0.22 0.09 -0.55 8.42 8.28 1miyA1 LYS 386 HA 0.26 0.09 0.17 -0.75 4.32 4.08 1miyA1 LYS 386 HB2 0.12 0.07 0.17 -0.04 1.87 2.19 1miyA1 LYS 386 HB3 0.17 -0.03 0.09 -0.04 1.79 1.98 1miyA1 LYS 386 HG2 0.47 -0.02 -0.07 -0.04 1.46 1.80 1miyA1 LYS 386 HG3 0.18 0.08 0.02 -0.04 1.46 1.70 1miyA1 LYS 386 HD2 0.09 0.04 0.05 -0.04 1.69 1.83 1miyA1 LYS 386 HD3 0.16 -0.01 -0.00 -0.04 1.68 1.79 1miyA1 LYS 386 HE2 0.05 0.02 0.01 -0.04 2.99 3.03 1miyA1 LYS 386 HE3 0.08 -0.02 -0.00 -0.04 2.99 3.00 1miyA1 GLU 387 H 0.12 0.12 -0.03 -0.55 8.60 8.25 1miyA1 GLU 387 HA 0.10 0.09 0.31 -0.75 4.29 4.04 1miyA1 GLU 387 HB2 0.07 0.04 0.12 -0.04 2.09 2.27 1miyA1 GLU 387 HB3 0.07 -0.07 0.09 -0.04 1.99 2.04 1miyA1 GLU 387 HG2 0.05 0.03 -0.07 -0.04 2.34 2.31 1miyA1 GLU 387 HG3 0.07 -0.01 -0.07 -0.04 2.34 2.28 1miyA1 ARG 388 H 0.09 0.07 -0.24 -0.55 8.46 7.83 1miyA1 ARG 388 HA 0.08 0.05 0.32 -0.75 4.34 4.04 1miyA1 ARG 388 HB2 0.06 -0.06 0.04 -0.04 1.90 1.90 1miyA1 ARG 388 HB3 0.07 0.07 -0.10 -0.04 1.80 1.80 1miyA1 ARG 388 HG2 0.06 0.06 0.04 -0.04 1.67 1.79 1miyA1 ARG 388 HG3 0.05 -0.02 0.02 -0.04 1.67 1.69 1miyA1 ARG 388 HD2 0.03 -0.04 0.02 -0.04 3.22 3.20 1miyA1 ARG 388 HD3 0.04 0.07 0.02 -0.04 3.22 3.31 1miyA1 ILE 389 H 0.15 0.44 -0.17 -0.55 8.25 8.12 1miyA1 ILE 389 HA 0.22 0.07 0.44 -0.75 4.18 4.16 1miyA1 ILE 389 HB 0.31 0.06 -0.03 -0.04 1.89 2.19 1miyA1 ILE 389 HG12 -0.02 0.08 -0.06 -0.04 1.49 1.45 1miyA1 ILE 389 HG13 0.09 0.11 -0.07 -0.04 1.21 1.29 1miyA1 ILE 389 HG23 0.32 -0.02 -0.13 -0.04 0.93 1.06 1miyA1 ILE 389 HD13 0.04 -0.02 -0.08 -0.04 0.88 0.77 1miyA1 TYR 390 H 0.14 0.49 -0.28 -0.55 8.29 8.09 1miyA1 TYR 390 HA -0.90 0.03 0.43 -0.75 4.56 3.36 1miyA1 TYR 390 HB2 -1.15 -0.03 0.04 -0.04 3.06 1.88 1miyA1 TYR 390 HB3 -0.35 0.25 0.24 -0.04 2.98 3.08 1miyA1 TYR 390 HD2 -1.55 -0.02 -0.02 -0.04 7.15 5.52 1miyA1 TYR 390 HE2 -0.39 0.05 -0.02 -0.04 6.85 6.45 1miyA1 ALA 391 H -0.05 0.38 0.05 -0.55 8.40 8.23 1miyA1 ALA 391 HA -0.41 0.01 0.47 -0.75 4.34 3.65 1miyA1 ALA 391 HB3 -0.03 0.03 0.10 -0.04 1.41 1.46 1miyA1 TRP 392 H 0.16 0.67 -0.19 -0.55 7.97 8.05 1miyA1 TRP 392 HA -0.06 -0.02 0.21 -0.75 4.62 3.99 1miyA1 TRP 392 HB2 -0.01 0.02 0.06 -0.04 3.23 3.26 1miyA1 TRP 392 HB3 0.00 0.06 0.10 -0.04 3.23 3.35 1miyA1 TRP 392 HD1 -0.02 0.00 -0.07 -0.04 7.22 7.10 1miyA1 TRP 392 HE1 -0.02 0.01 -0.08 -0.04 10.20 10.07 1miyA1 TRP 392 HE3 0.04 0.06 -0.28 -0.04 7.59 7.37 1miyA1 TRP 392 HZ2 -0.04 -0.00 -0.04 -0.04 7.44 7.32 1miyA1 TRP 392 HZ3 0.02 -0.04 -0.20 -0.04 7.13 6.87 1miyA1 TRP 392 HH2 -0.04 0.06 -0.17 -0.04 7.19 7.00 1miyA1 LEU 393 H 0.11 0.50 -0.36 -0.55 8.37 8.07 1miyA1 LEU 393 HA -0.18 0.04 0.47 -0.75 4.35 3.93 1miyA1 LEU 393 HB2 0.39 -0.01 0.06 -0.04 1.64 2.04 1miyA1 LEU 393 HB3 0.06 0.07 0.16 -0.04 1.64 1.89 1miyA1 LEU 393 HG 0.11 0.00 -0.26 -0.04 1.64 1.45 1miyA1 LEU 393 HD13 0.15 -0.01 -0.04 -0.04 0.93 0.99 1miyA1 LEU 393 HD23 0.50 -0.02 -0.07 -0.04 0.89 1.25 1miyA1 MET 394 H -0.43 0.97 0.15 -0.55 8.47 8.61 1miyA1 MET 394 HA -0.24 -0.01 0.30 -0.75 4.52 3.82 1miyA1 MET 394 HB2 -0.65 0.02 0.21 -0.04 2.15 1.69 1miyA1 MET 394 HB3 -0.35 -0.06 0.04 -0.04 2.03 1.62 1miyA1 MET 394 HG2 -1.99 -0.03 -0.07 -0.04 2.63 0.49 1miyA1 MET 394 HG3 -0.48 -0.03 0.01 -0.04 2.56 2.01 1miyA1 MET 394 HE3 -0.09 -0.01 0.03 -0.04 2.10 1.99 1miyA1 GLU 395 H -0.28 1.07 -0.12 -0.55 8.60 8.72 1miyA1 GLU 395 HA -0.18 -0.04 0.13 -0.75 4.29 3.44 1miyA1 GLU 395 HB2 -0.20 0.17 -0.04 -0.04 2.09 1.98 1miyA1 GLU 395 HB3 -0.17 -0.02 0.03 -0.04 1.99 1.79 1miyA1 GLU 395 HG2 -0.11 -0.02 0.01 -0.04 2.34 2.18 1miyA1 GLU 395 HG3 -0.15 -0.05 -0.02 -0.04 2.34 2.07 1miyA1 ARG 396 H -0.37 0.55 -0.60 -0.55 8.46 7.49 1miyA1 ARG 396 HA -0.28 0.06 0.87 -0.75 4.34 4.23 1miyA1 ARG 396 HB2 -0.52 -0.08 0.14 -0.04 1.90 1.40 1miyA1 ARG 396 HB3 -0.93 0.26 0.12 -0.04 1.80 1.20 1miyA1 ARG 396 HG2 -0.62 0.09 0.07 -0.04 1.67 1.18 1miyA1 ARG 396 HG3 -0.30 -0.06 -0.28 -0.04 1.67 0.98 1miyA1 ARG 396 HD2 -0.41 -0.04 0.01 -0.04 3.22 2.74 1miyA1 ARG 396 HD3 -1.02 0.02 -0.05 -0.04 3.22 2.13 1miyA1 ASN 397 H -0.19 0.66 0.06 -0.55 8.53 8.51 1miyA1 ASN 397 HA -0.11 0.17 1.04 -0.75 4.76 5.10 1miyA1 ASN 397 HB2 -0.11 0.21 0.19 -0.04 2.88 3.13 1miyA1 ASN 397 HB3 -0.09 -0.04 0.02 -0.04 2.79 2.64 1miyA1 ASN 397 HD21 0.03 -0.05 -0.04 -0.04 7.03 6.93 1miyA1 ASN 397 HD22 -0.05 0.02 -0.01 -0.04 7.74 7.66 1miyA1 ARG 398 H -0.12 0.32 0.06 -0.55 8.46 8.16 1miyA1 ARG 398 HA -0.07 0.14 0.70 -0.75 4.34 4.35 1miyA1 ARG 398 HB2 -0.07 -0.00 0.10 -0.04 1.90 1.89 1miyA1 ARG 398 HB3 -0.08 0.03 0.08 -0.04 1.80 1.79 1miyA1 ARG 398 HG2 -0.11 0.05 -0.00 -0.04 1.67 1.57 1miyA1 ARG 398 HG3 -0.11 0.08 -0.05 -0.04 1.67 1.54 1miyA1 ARG 398 HD2 -0.07 -0.02 -0.05 -0.04 3.22 3.03 1miyA1 ARG 398 HD3 -0.07 -0.02 -0.02 -0.04 3.22 3.06 1miyA1 THR 399 H -0.12 0.14 -0.46 -0.55 8.28 7.29 1miyA1 THR 399 HA -0.08 0.12 0.66 -0.75 4.39 4.34 1miyA1 THR 399 HB -0.13 0.14 -0.00 -0.04 4.32 4.28 1miyA1 THR 399 HG23 -0.08 -0.01 0.01 -0.04 1.22 1.10 1miyA1 ARG 400 H -0.09 0.19 -0.46 -0.55 8.46 7.55 1miyA1 ARG 400 HA -0.05 0.09 0.44 -0.75 4.34 4.06 1miyA1 ARG 400 HB2 -0.06 0.15 0.11 -0.04 1.90 2.05 1miyA1 ARG 400 HB3 -0.04 -0.04 0.15 -0.04 1.80 1.82 1miyA1 ARG 400 HG2 -0.07 -0.07 -0.04 -0.04 1.67 1.44 1miyA1 ARG 400 HG3 -0.09 0.43 0.20 -0.04 1.67 2.16 1miyA1 ARG 400 HD2 -0.04 0.02 0.04 -0.04 3.22 3.20 1miyA1 ARG 400 HD3 -0.03 -0.05 0.04 -0.04 3.22 3.14 1miyA1 GLU 401 H -0.06 0.01 -0.88 -0.55 8.60 7.13 1miyA1 GLU 401 HA -0.04 0.15 0.79 -0.75 4.29 4.44 1miyA1 GLU 401 HB2 -0.05 0.11 0.02 -0.04 2.09 2.13 1miyA1 GLU 401 HB3 -0.04 -0.00 0.02 -0.04 1.99 1.92 1miyA1 GLU 401 HG2 -0.06 0.21 0.05 -0.04 2.34 2.50 1miyA1 GLU 401 HG3 -0.06 -0.03 0.04 -0.04 2.34 2.25 1miyA1 LYS 402 H -0.05 0.18 -0.18 -0.55 8.42 7.82 1miyA1 LYS 402 HA -0.03 0.10 0.52 -0.75 4.32 4.15 1miyA1 LYS 402 HB2 -0.05 0.07 0.19 -0.04 1.87 2.04 1miyA1 LYS 402 HB3 -0.04 -0.01 0.04 -0.04 1.79 1.74 1miyA1 LYS 402 HG2 -0.03 -0.03 0.06 -0.04 1.46 1.42 1miyA1 LYS 402 HG3 -0.04 0.07 0.08 -0.04 1.46 1.53 1miyA1 LYS 402 HD2 -0.04 0.01 0.06 -0.04 1.69 1.67 1miyA1 LYS 402 HD3 -0.03 -0.03 0.03 -0.04 1.68 1.60 1miyA1 LYS 402 HE2 -0.04 -0.04 0.01 -0.04 2.99 2.89 1miyA1 LYS 402 HE3 -0.05 0.04 0.01 -0.04 2.99 2.96 1miyA1 ASN 403 H -0.04 0.12 -0.30 -0.55 8.53 7.76 1miyA1 ASN 403 HA -0.03 0.14 0.55 -0.75 4.76 4.66 1miyA1 ASN 403 HB2 -0.04 -0.00 0.05 -0.04 2.88 2.85 1miyA1 ASN 403 HB3 -0.03 -0.03 -0.04 -0.04 2.79 2.65 1miyA1 ASN 403 HD21 -0.04 -0.06 -0.03 -0.04 7.03 6.85 1miyA1 ASN 403 HD22 -0.05 -0.01 -0.12 -0.04 7.74 7.53 1miyA1 CYS 404 H -0.03 0.07 -0.50 -0.55 8.50 7.49 1miyA1 CYS 404 HA -0.02 0.18 0.32 -0.75 4.58 4.30 1miyA1 CYS 404 HB2 -0.02 -0.03 0.04 -0.04 2.97 2.92 1miyA1 CYS 404 HB3 -0.02 0.05 -0.12 -0.04 2.97 2.84