============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 7 1.000 -9.199 3.472 14.869 -99.200 -91.000 TYR 11 0.840 -19.544 9.487 23.702 -99.200 -91.000 PHE 25 1.000 -17.846 16.844 4.036 -99.200 -91.000 HIS 41 0.900 -12.445 10.293 1.288 -99.200 -91.000 PHE 56 1.000 -4.552 -4.915 26.517 -99.200 -91.000 PHE 68 1.000 -0.979 5.764 13.890 -99.200 -91.000 TYR 79 0.840 -8.871 1.313 19.957 -99.200 -91.000 TYR 95 0.840 -16.952 6.956 27.882 -99.200 -91.000 HIS 103 0.900 -4.354 23.572 31.248 -99.200 -91.000 PHE 108 1.000 -4.362 20.484 26.411 -99.200 -91.000 TRP 118 1.040 -17.405 11.456 29.316 -99.200 -91.000 TRP6 118 1.020 -18.416 11.403 31.453 -99.200 -91.000 HIS 121 0.900 -12.287 6.597 34.805 -99.200 -91.000 TRP 132 1.040 5.541 11.238 19.748 -99.200 -91.000 TRP6 132 1.020 3.277 11.261 19.061 -99.200 -91.000 TYR 154 0.840 -0.757 18.441 18.932 -99.200 -91.000 PHE 158 1.000 -8.912 15.629 27.101 -99.200 -91.000 HIS 159 0.900 -14.455 9.801 24.474 -99.200 -91.000 HIS 164 0.900 -21.175 14.646 30.889 -99.200 -91.000 PHE 175 1.000 -6.032 17.986 14.960 -99.200 -91.000 TRP 185 1.040 -20.028 21.711 6.663 -99.200 -91.000 TRP6 185 1.020 -20.740 20.486 4.767 -99.200 -91.000 HIS 189 0.900 -18.274 24.318 -0.971 -99.200 -91.000 HIS 231 0.900 -40.541 20.722 -8.473 -99.200 -91.000 PHE 235 1.000 -48.732 17.889 3.259 -99.200 -91.000 HIS 238 0.900 -50.791 11.462 7.763 -99.200 -91.000 PHE 269 1.000 -53.040 7.202 4.961 -99.200 -91.000 PHE 290 1.000 -46.249 8.112 2.116 -99.200 -91.000 PHE 294 1.000 -44.676 9.080 -3.185 -99.200 -91.000 PHE 304 1.000 -43.526 11.554 -11.383 -99.200 -91.000 PHE 306 1.000 -32.831 10.812 -11.992 -99.200 -91.000 TYR 313 0.840 -21.941 11.398 7.323 -99.200 -91.000 PHE 320 1.000 -40.660 5.718 -8.462 -99.200 -91.000 PHE 326 1.000 -31.316 18.208 1.422 -99.200 -91.000 PHE 330 1.000 -23.961 15.095 11.483 -99.200 -91.000 HIS 351 0.900 -40.109 21.308 19.194 -99.200 -91.000 PHE 353 1.000 -46.869 15.205 13.641 -99.200 -91.000 PHE 381 1.000 -46.811 20.584 25.562 -99.200 -91.000 TRP 388 1.040 -45.236 31.256 29.162 -99.200 -91.000 TRP6 388 1.020 -44.787 30.717 31.418 -99.200 -91.000 TYR 391 0.840 -42.017 24.400 18.858 -99.200 -91.000 TYR 406 0.840 -60.731 10.303 25.203 -99.200 -91.000 PHE 418 1.000 -26.581 16.707 18.731 -99.200 -91.000 TRP 423 1.040 -37.440 14.127 33.733 -99.200 -91.000 TRP6 423 1.020 -38.467 15.882 34.931 -99.200 -91.000 PHE 430 1.000 -45.225 25.794 29.122 -99.200 -91.000 TYR 450 0.840 -43.206 17.451 31.767 -99.200 -91.000 TRP 462 1.040 -45.874 8.527 26.328 -99.200 -91.000 TRP6 462 1.020 -47.470 8.268 28.051 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ywbD1 MET 1 HA 0.10 -0.03 0.26 -0.75 4.52 4.09 2ywbD1 MET 1 HB2 0.14 -0.08 0.04 -0.04 2.15 2.21 2ywbD1 MET 1 HB3 0.09 0.11 0.07 -0.04 2.03 2.26 2ywbD1 MET 1 HG2 0.26 -0.07 -0.19 -0.04 2.63 2.60 2ywbD1 MET 1 HG3 0.21 0.03 -0.10 -0.04 2.56 2.65 2ywbD1 MET 1 HE3 -0.13 -0.03 -0.41 -0.04 2.10 1.49 2ywbD1 VAL 2 H -0.07 0.74 0.26 -0.55 8.24 8.62 2ywbD1 VAL 2 HA 0.01 0.18 1.07 -0.75 4.13 4.63 2ywbD1 VAL 2 HB -0.05 -0.02 0.01 -0.04 2.12 2.02 2ywbD1 VAL 2 HG13 0.07 0.00 -0.29 -0.04 0.97 0.71 2ywbD1 VAL 2 HG23 0.00 0.01 -0.18 -0.04 0.95 0.74 2ywbD1 LEU 3 H 0.01 0.45 0.30 -0.55 8.37 8.58 2ywbD1 LEU 3 HA -0.11 0.15 0.92 -0.75 4.35 4.56 2ywbD1 LEU 3 HB2 0.01 0.05 0.17 -0.04 1.64 1.84 2ywbD1 LEU 3 HB3 -0.04 -0.06 -0.07 -0.04 1.64 1.44 2ywbD1 LEU 3 HG -0.06 0.04 -0.13 -0.04 1.64 1.44 2ywbD1 LEU 3 HD13 0.04 0.02 -0.01 -0.04 0.93 0.95 2ywbD1 LEU 3 HD23 -0.35 -0.00 -0.08 -0.04 0.89 0.42 2ywbD1 VAL 4 H -0.07 0.88 0.42 -0.55 8.24 8.91 2ywbD1 VAL 4 HA 0.02 0.21 1.01 -0.75 4.13 4.62 2ywbD1 VAL 4 HB -0.03 -0.09 0.11 -0.04 2.12 2.07 2ywbD1 VAL 4 HG13 0.02 -0.01 -0.16 -0.04 0.97 0.78 2ywbD1 VAL 4 HG23 -0.03 0.01 -0.19 -0.04 0.95 0.70 2ywbD1 LEU 5 H 0.05 0.80 0.33 -0.55 8.37 9.00 2ywbD1 LEU 5 HA -0.13 0.20 0.62 -0.75 4.35 4.29 2ywbD1 LEU 5 HB2 0.17 -0.02 0.23 -0.04 1.64 1.98 2ywbD1 LEU 5 HB3 -0.21 -0.01 0.03 -0.04 1.64 1.41 2ywbD1 LEU 5 HG 0.03 -0.02 -0.13 -0.04 1.64 1.48 2ywbD1 LEU 5 HD13 0.16 -0.00 -0.08 -0.04 0.93 0.97 2ywbD1 LEU 5 HD23 -0.06 0.04 -0.09 -0.04 0.89 0.74 2ywbD1 ASP 6 H -0.21 0.82 0.31 -0.55 8.40 8.77 2ywbD1 ASP 6 HA -0.06 -0.04 0.69 -0.75 4.63 4.47 2ywbD1 ASP 6 HB2 -0.08 0.07 0.05 -0.04 2.71 2.70 2ywbD1 ASP 6 HB3 -0.14 0.04 0.13 -0.04 2.70 2.70 2ywbD1 PHE 7 H 0.11 0.14 0.22 -0.55 8.34 8.25 2ywbD1 PHE 7 HA -0.03 0.19 0.88 -0.75 4.62 4.91 2ywbD1 PHE 7 HB2 0.05 0.09 -0.17 -0.04 3.15 3.08 2ywbD1 PHE 7 HB3 -0.23 0.03 0.04 -0.04 3.06 2.85 2ywbD1 PHE 7 HD2 0.15 0.00 -0.14 -0.04 7.28 7.25 2ywbD1 PHE 7 HE2 0.11 -0.03 -0.30 -0.04 7.38 7.11 2ywbD1 PHE 7 HZ 0.08 0.06 -0.10 -0.04 7.32 7.32 2ywbD1 GLY 8 H -0.01 0.03 -0.06 -0.55 8.43 7.84 2ywbD1 GLY 8 HA2 -0.03 0.06 0.31 -0.51 4.01 3.84 2ywbD1 GLY 8 HA3 -0.05 0.21 0.91 -0.51 4.01 4.57 2ywbD1 SER 9 H 0.06 0.28 0.01 -0.55 8.46 8.27 2ywbD1 SER 9 HA 0.03 0.08 0.25 -0.75 4.49 4.10 2ywbD1 SER 9 HB2 0.20 0.04 -0.23 -0.04 3.95 3.92 2ywbD1 SER 9 HB3 0.14 -0.03 0.09 -0.04 3.93 4.09 2ywbD1 GLN 10 H -0.13 0.19 0.17 -0.55 8.47 8.16 2ywbD1 GLN 10 HA -0.09 0.18 0.52 -0.75 4.36 4.21 2ywbD1 GLN 10 HB2 -0.22 0.04 0.11 -0.04 2.15 2.04 2ywbD1 GLN 10 HB3 -0.16 0.08 0.14 -0.04 2.02 2.05 2ywbD1 GLN 10 HG2 -0.45 -0.08 0.10 -0.04 2.40 1.94 2ywbD1 GLN 10 HG3 -1.49 -0.01 -0.15 -0.04 2.39 0.70 2ywbD1 GLN 10 HE21 0.16 0.05 -0.01 -0.04 6.97 7.14 2ywbD1 GLN 10 HE22 -0.09 -0.04 -0.01 -0.04 7.69 7.51 2ywbD1 TYR 11 H -0.05 -0.02 -0.36 -0.55 8.29 7.31 2ywbD1 TYR 11 HA 0.04 0.25 0.75 -0.75 4.56 4.84 2ywbD1 TYR 11 HB2 0.08 -0.02 -0.03 -0.04 3.06 3.05 2ywbD1 TYR 11 HB3 0.05 0.02 0.07 -0.04 2.98 3.07 2ywbD1 TYR 11 HD2 -0.22 0.03 -0.05 -0.04 7.15 6.87 2ywbD1 TYR 11 HE2 -0.40 0.05 -0.03 -0.04 6.85 6.42 2ywbD1 THR 12 H 0.08 0.45 -0.36 -0.55 8.28 7.90 2ywbD1 THR 12 HA 0.10 0.05 0.36 -0.75 4.39 4.15 2ywbD1 THR 12 HB 0.01 0.09 0.05 -0.04 4.32 4.43 2ywbD1 THR 12 HG23 0.00 0.02 -0.18 -0.04 1.22 1.03 2ywbD1 ARG 13 H 0.04 0.21 -0.19 -0.55 8.46 7.97 2ywbD1 ARG 13 HA 0.06 0.10 0.35 -0.75 4.34 4.09 2ywbD1 ARG 13 HB2 0.01 0.05 0.06 -0.04 1.90 1.98 2ywbD1 ARG 13 HB3 0.07 0.03 0.03 -0.04 1.80 1.88 2ywbD1 ARG 13 HG2 0.30 -0.05 -0.12 -0.04 1.67 1.76 2ywbD1 ARG 13 HG3 0.05 0.04 -0.03 -0.04 1.67 1.69 2ywbD1 ARG 13 HD2 0.10 0.01 -0.11 -0.04 3.22 3.18 2ywbD1 ARG 13 HD3 0.22 -0.03 -0.04 -0.04 3.22 3.33 2ywbD1 LEU 14 H 0.10 0.06 -0.39 -0.55 8.37 7.60 2ywbD1 LEU 14 HA -0.04 0.04 0.33 -0.75 4.35 3.92 2ywbD1 LEU 14 HB2 0.17 -0.00 0.10 -0.04 1.64 1.86 2ywbD1 LEU 14 HB3 0.14 0.12 0.07 -0.04 1.64 1.93 2ywbD1 LEU 14 HG 0.03 0.12 -0.11 -0.04 1.64 1.64 2ywbD1 LEU 14 HD13 0.16 0.01 0.03 -0.04 0.93 1.09 2ywbD1 LEU 14 HD23 0.03 -0.02 0.01 -0.04 0.89 0.87 2ywbD1 ILE 15 H 0.08 0.40 -0.29 -0.55 8.25 7.89 2ywbD1 ILE 15 HA 0.03 0.00 0.32 -0.75 4.18 3.77 2ywbD1 ILE 15 HB 0.05 0.17 0.11 -0.04 1.89 2.18 2ywbD1 ILE 15 HG12 0.09 -0.07 -0.01 -0.04 1.49 1.45 2ywbD1 ILE 15 HG13 0.13 0.28 0.05 -0.04 1.21 1.63 2ywbD1 ILE 15 HG23 0.03 0.00 -0.20 -0.04 0.93 0.73 2ywbD1 ILE 15 HD13 0.11 -0.03 -0.06 -0.04 0.88 0.86 2ywbD1 ALA 16 H 0.05 0.40 -0.15 -0.55 8.40 8.15 2ywbD1 ALA 16 HA -0.02 0.04 0.28 -0.75 4.34 3.88 2ywbD1 ALA 16 HB3 0.15 0.04 0.01 -0.04 1.41 1.57 2ywbD1 ARG 17 H -0.06 0.49 -0.22 -0.55 8.46 8.13 2ywbD1 ARG 17 HA -0.34 -0.04 0.39 -0.75 4.34 3.59 2ywbD1 ARG 17 HB2 -1.32 -0.09 0.06 -0.04 1.90 0.51 2ywbD1 ARG 17 HB3 -0.37 0.14 0.16 -0.04 1.80 1.69 2ywbD1 ARG 17 HG2 -0.29 0.09 -0.26 -0.04 1.67 1.16 2ywbD1 ARG 17 HG3 -0.56 -0.08 -0.03 -0.04 1.67 0.96 2ywbD1 ARG 17 HD2 -0.99 -0.01 -0.04 -0.04 3.22 2.14 2ywbD1 ARG 17 HD3 -0.80 0.03 -0.07 -0.04 3.22 2.34 2ywbD1 ARG 18 H -0.07 0.57 -0.10 -0.55 8.46 8.31 2ywbD1 ARG 18 HA -0.04 -0.03 0.37 -0.75 4.34 3.88 2ywbD1 ARG 18 HB2 -0.01 0.10 0.11 -0.04 1.90 2.06 2ywbD1 ARG 18 HB3 -0.01 -0.03 -0.03 -0.04 1.80 1.70 2ywbD1 ARG 18 HG2 -0.01 0.14 0.03 -0.04 1.67 1.78 2ywbD1 ARG 18 HG3 -0.01 -0.05 0.03 -0.04 1.67 1.60 2ywbD1 ARG 18 HD2 -0.01 -0.03 0.01 -0.04 3.22 3.15 2ywbD1 ARG 18 HD3 -0.03 -0.09 -0.05 -0.04 3.22 3.00 2ywbD1 LEU 19 H -0.04 0.47 -0.23 -0.55 8.37 8.02 2ywbD1 LEU 19 HA -0.00 0.01 0.33 -0.75 4.35 3.94 2ywbD1 LEU 19 HB2 -0.09 0.19 0.11 -0.04 1.64 1.81 2ywbD1 LEU 19 HB3 -0.07 0.07 -0.12 -0.04 1.64 1.48 2ywbD1 LEU 19 HG -0.00 0.04 -0.04 -0.04 1.64 1.59 2ywbD1 LEU 19 HD13 -0.03 -0.03 -0.18 -0.04 0.93 0.65 2ywbD1 LEU 19 HD23 0.05 -0.01 -0.11 -0.04 0.89 0.78 2ywbD1 ARG 20 H -0.07 0.35 -0.15 -0.55 8.46 8.03 2ywbD1 ARG 20 HA -0.00 0.14 0.38 -0.75 4.34 4.10 2ywbD1 ARG 20 HB2 0.05 0.07 0.13 -0.04 1.90 2.11 2ywbD1 ARG 20 HB3 0.34 -0.10 0.03 -0.04 1.80 2.03 2ywbD1 ARG 20 HG2 -0.08 0.29 0.09 -0.04 1.67 1.93 2ywbD1 ARG 20 HG3 0.19 -0.16 0.03 -0.04 1.67 1.69 2ywbD1 ARG 20 HD2 -1.01 -0.07 0.04 -0.04 3.22 2.14 2ywbD1 ARG 20 HD3 -0.75 0.21 0.08 -0.04 3.22 2.72 2ywbD1 GLU 21 H 0.01 0.48 -0.17 -0.55 8.60 8.36 2ywbD1 GLU 21 HA 0.07 -0.02 0.40 -0.75 4.29 3.99 2ywbD1 GLU 21 HB2 0.00 0.16 0.10 -0.04 2.09 2.32 2ywbD1 GLU 21 HB3 0.02 -0.06 0.10 -0.04 1.99 2.00 2ywbD1 GLU 21 HG2 0.00 -0.08 0.01 -0.04 2.34 2.23 2ywbD1 GLU 21 HG3 -0.04 0.15 0.07 -0.04 2.34 2.47 2ywbD1 LEU 22 H 0.05 0.38 -0.61 -0.55 8.37 7.63 2ywbD1 LEU 22 HA 0.03 0.05 0.61 -0.75 4.35 4.29 2ywbD1 LEU 22 HB2 0.02 0.14 0.13 -0.04 1.64 1.89 2ywbD1 LEU 22 HB3 0.02 -0.03 0.14 -0.04 1.64 1.73 2ywbD1 LEU 22 HG 0.01 -0.06 -0.05 -0.04 1.64 1.50 2ywbD1 LEU 22 HD13 0.01 -0.03 -0.21 -0.04 0.93 0.66 2ywbD1 LEU 22 HD23 0.01 0.08 -0.14 -0.04 0.89 0.80 2ywbD1 ARG 23 H 0.14 0.43 -0.28 -0.55 8.46 8.19 2ywbD1 ARG 23 HA 0.25 0.16 0.30 -0.75 4.34 4.31 2ywbD1 ARG 23 HB2 0.07 0.15 0.13 -0.04 1.90 2.20 2ywbD1 ARG 23 HB3 0.08 -0.06 0.11 -0.04 1.80 1.90 2ywbD1 ARG 23 HG2 0.06 -0.00 -0.33 -0.04 1.67 1.36 2ywbD1 ARG 23 HG3 0.03 -0.06 -0.08 -0.04 1.67 1.52 2ywbD1 ARG 23 HD2 0.02 -0.10 0.00 -0.04 3.22 3.10 2ywbD1 ARG 23 HD3 0.03 0.03 0.05 -0.04 3.22 3.30 2ywbD1 ALA 24 H 0.12 0.40 -0.15 -0.55 8.40 8.23 2ywbD1 ALA 24 HA 0.12 0.04 0.92 -0.75 4.34 4.66 2ywbD1 ALA 24 HB3 0.01 0.04 -0.14 -0.04 1.41 1.29 2ywbD1 PHE 25 H 0.17 0.12 0.15 -0.55 8.34 8.23 2ywbD1 PHE 25 HA -0.98 0.01 0.46 -0.75 4.62 3.36 2ywbD1 PHE 25 HB2 -0.09 -0.04 0.07 -0.04 3.15 3.06 2ywbD1 PHE 25 HB3 -0.14 0.05 0.08 -0.04 3.06 3.01 2ywbD1 PHE 25 HD2 -1.40 -0.02 -0.06 -0.04 7.28 5.76 2ywbD1 PHE 25 HE2 -0.44 0.01 -0.03 -0.04 7.38 6.88 2ywbD1 PHE 25 HZ -0.31 -0.05 0.01 -0.04 7.32 6.92 2ywbD1 SER 26 H -1.46 0.17 0.24 -0.55 8.46 6.86 2ywbD1 SER 26 HA -0.43 0.52 1.00 -0.75 4.49 4.83 2ywbD1 SER 26 HB2 -0.21 -0.08 0.01 -0.04 3.95 3.63 2ywbD1 SER 26 HB3 -0.25 0.07 -0.13 -0.04 3.93 3.58 2ywbD1 LEU 27 H -0.30 0.50 0.36 -0.55 8.37 8.39 2ywbD1 LEU 27 HA -0.26 0.11 0.84 -0.75 4.35 4.28 2ywbD1 LEU 27 HB2 -0.30 0.04 -0.19 -0.04 1.64 1.15 2ywbD1 LEU 27 HB3 -0.28 -0.00 0.00 -0.04 1.64 1.32 2ywbD1 LEU 27 HG -0.10 0.10 -0.12 -0.04 1.64 1.48 2ywbD1 LEU 27 HD13 -0.02 -0.02 0.08 -0.04 0.93 0.93 2ywbD1 LEU 27 HD23 -0.24 0.00 -0.07 -0.04 0.89 0.54 2ywbD1 ILE 28 H 0.13 0.18 0.16 -0.55 8.25 8.17 2ywbD1 ILE 28 HA -0.05 0.24 1.02 -0.75 4.18 4.64 2ywbD1 ILE 28 HB -0.05 0.01 0.08 -0.04 1.89 1.90 2ywbD1 ILE 28 HG12 -0.01 0.03 -0.09 -0.04 1.49 1.37 2ywbD1 ILE 28 HG13 0.06 -0.03 -0.11 -0.04 1.21 1.10 2ywbD1 ILE 28 HG23 -0.07 -0.01 -0.10 -0.04 0.93 0.71 2ywbD1 ILE 28 HD13 -0.10 -0.02 -0.12 -0.04 0.88 0.60 2ywbD1 LEU 29 H -0.08 0.65 0.39 -0.55 8.37 8.79 2ywbD1 LEU 29 HA -0.04 0.18 0.79 -0.75 4.35 4.53 2ywbD1 LEU 29 HB2 -0.07 -0.03 -0.07 -0.04 1.64 1.43 2ywbD1 LEU 29 HB3 -0.04 0.06 -0.02 -0.04 1.64 1.60 2ywbD1 LEU 29 HG -0.14 -0.03 -0.38 -0.04 1.64 1.06 2ywbD1 LEU 29 HD13 -0.00 0.01 -0.13 -0.04 0.93 0.76 2ywbD1 LEU 29 HD23 0.04 0.02 0.04 -0.04 0.89 0.95 2ywbD1 PRO 30 HA -0.14 0.04 0.51 -0.51 4.44 4.34 2ywbD1 PRO 30 HB2 -0.06 0.02 -0.12 -0.04 2.28 2.08 2ywbD1 PRO 30 HB3 -0.07 0.04 0.07 -0.04 2.02 2.02 2ywbD1 PRO 30 HG2 -0.03 0.07 0.06 -0.04 2.03 2.09 2ywbD1 PRO 30 HG3 -0.05 0.05 0.07 -0.04 2.03 2.06 2ywbD1 PRO 30 HD2 -0.03 0.10 0.16 -0.04 3.68 3.87 2ywbD1 PRO 30 HD3 -0.03 0.18 0.21 -0.04 3.65 3.97 2ywbD1 GLY 31 H -0.37 0.59 0.33 -0.55 8.43 8.44 2ywbD1 GLY 31 HA2 -0.69 -0.05 0.25 -0.51 4.01 3.02 2ywbD1 GLY 31 HA3 -1.51 0.07 0.07 -0.51 4.01 2.12 2ywbD1 ASP 32 H -0.13 -0.00 -0.48 -0.55 8.40 7.24 2ywbD1 ASP 32 HA 0.02 0.25 0.74 -0.75 4.63 4.88 2ywbD1 ASP 32 HB2 0.02 0.00 0.15 -0.04 2.71 2.84 2ywbD1 ASP 32 HB3 0.05 -0.03 0.07 -0.04 2.70 2.75 2ywbD1 ALA 33 H -0.05 0.34 -0.47 -0.55 8.40 7.67 2ywbD1 ALA 33 HA -0.01 0.13 0.74 -0.75 4.34 4.44 2ywbD1 ALA 33 HB3 -0.01 -0.00 -0.02 -0.04 1.41 1.34 2ywbD1 PRO 34 HA 0.00 0.03 0.42 -0.51 4.44 4.38 2ywbD1 PRO 34 HB2 0.01 -0.13 0.07 -0.04 2.28 2.19 2ywbD1 PRO 34 HB3 0.01 0.12 0.15 -0.04 2.02 2.25 2ywbD1 PRO 34 HG2 0.02 -0.16 0.13 -0.04 2.03 1.98 2ywbD1 PRO 34 HG3 0.01 0.11 0.11 -0.04 2.03 2.23 2ywbD1 PRO 34 HD2 0.01 0.12 0.25 -0.04 3.68 4.01 2ywbD1 PRO 34 HD3 0.00 0.23 0.23 -0.04 3.65 4.07 2ywbD1 LEU 35 H 0.00 0.13 0.18 -0.55 8.37 8.14 2ywbD1 LEU 35 HA 0.02 0.14 0.35 -0.75 4.35 4.11 2ywbD1 LEU 35 HB2 0.00 -0.05 0.09 -0.04 1.64 1.64 2ywbD1 LEU 35 HB3 0.01 -0.02 0.06 -0.04 1.64 1.65 2ywbD1 LEU 35 HG 0.02 0.02 -0.14 -0.04 1.64 1.50 2ywbD1 LEU 35 HD13 0.03 0.01 0.03 -0.04 0.93 0.96 2ywbD1 LEU 35 HD23 0.02 0.00 -0.09 -0.04 0.89 0.78 2ywbD1 GLU 36 H 0.01 -0.02 -0.53 -0.55 8.60 7.52 2ywbD1 GLU 36 HA 0.02 0.14 0.43 -0.75 4.29 4.12 2ywbD1 GLU 36 HB2 0.01 -0.09 0.08 -0.04 2.09 2.05 2ywbD1 GLU 36 HB3 0.01 0.08 -0.04 -0.04 1.99 2.00 2ywbD1 GLU 36 HG2 0.01 0.05 -0.00 -0.04 2.34 2.35 2ywbD1 GLU 36 HG3 0.01 0.06 -0.02 -0.04 2.34 2.35 2ywbD1 GLU 37 H 0.02 0.08 -0.05 -0.55 8.60 8.10 2ywbD1 GLU 37 HA 0.02 0.04 0.29 -0.75 4.29 3.89 2ywbD1 GLU 37 HB2 0.03 -0.07 0.11 -0.04 2.09 2.12 2ywbD1 GLU 37 HB3 0.04 0.09 -0.02 -0.04 1.99 2.06 2ywbD1 GLU 37 HG2 0.14 0.05 -0.05 -0.04 2.34 2.43 2ywbD1 GLU 37 HG3 0.07 -0.00 0.07 -0.04 2.34 2.43 2ywbD1 VAL 38 H 0.05 0.13 -0.96 -0.55 8.24 6.91 2ywbD1 VAL 38 HA 0.15 0.11 0.58 -0.75 4.13 4.21 2ywbD1 VAL 38 HB 0.05 0.04 0.05 -0.04 2.12 2.22 2ywbD1 VAL 38 HG13 0.07 0.00 -0.19 -0.04 0.97 0.81 2ywbD1 VAL 38 HG23 0.04 0.01 -0.18 -0.04 0.95 0.77 2ywbD1 LEU 39 H 0.05 0.53 0.13 -0.55 8.37 8.54 2ywbD1 LEU 39 HA 0.07 0.10 0.45 -0.75 4.35 4.22 2ywbD1 LEU 39 HB2 0.03 0.02 0.16 -0.04 1.64 1.80 2ywbD1 LEU 39 HB3 0.03 -0.02 0.15 -0.04 1.64 1.77 2ywbD1 LEU 39 HG 0.04 0.04 0.13 -0.04 1.64 1.82 2ywbD1 LEU 39 HD13 0.03 -0.03 0.01 -0.04 0.93 0.91 2ywbD1 LEU 39 HD23 0.05 0.01 -0.00 -0.04 0.89 0.91 2ywbD1 LYS 40 H 0.03 0.25 -0.66 -0.55 8.42 7.49 2ywbD1 LYS 40 HA -0.03 0.05 0.45 -0.75 4.32 4.04 2ywbD1 LYS 40 HB2 -0.11 -0.05 0.00 -0.04 1.87 1.67 2ywbD1 LYS 40 HB3 -0.05 -0.01 -0.04 -0.04 1.79 1.65 2ywbD1 LYS 40 HG2 -0.08 0.25 -0.15 -0.04 1.46 1.43 2ywbD1 LYS 40 HG3 -0.64 0.03 -0.28 -0.04 1.46 0.53 2ywbD1 LYS 40 HD2 -0.07 -0.13 -0.05 -0.04 1.69 1.40 2ywbD1 LYS 40 HD3 -0.18 0.02 0.00 -0.04 1.68 1.48 2ywbD1 LYS 40 HE2 -0.11 -0.02 -0.06 -0.04 2.99 2.76 2ywbD1 LYS 40 HE3 -0.09 -0.06 -0.04 -0.04 2.99 2.76 2ywbD1 HIS 41 H 0.12 0.38 -0.25 -0.55 8.41 8.11 2ywbD1 HIS 41 HA 0.04 0.06 0.47 -0.75 4.63 4.45 2ywbD1 HIS 41 HB2 0.04 0.14 0.01 -0.04 3.26 3.40 2ywbD1 HIS 41 HB3 0.06 -0.03 -0.01 -0.04 3.20 3.17 2ywbD1 HIS 41 HD2 0.07 -0.02 -0.05 -0.04 6.97 6.93 2ywbD1 HIS 41 HE1 0.02 -0.04 0.02 -0.04 7.75 7.71 2ywbD1 ARG 42 H 0.07 0.17 -0.75 -0.55 8.46 7.40 2ywbD1 ARG 42 HA 0.06 0.03 0.26 -0.75 4.34 3.93 2ywbD1 ARG 42 HB2 0.06 0.08 -0.14 -0.04 1.90 1.85 2ywbD1 ARG 42 HB3 0.04 -0.04 0.12 -0.04 1.80 1.88 2ywbD1 ARG 42 HG2 0.03 -0.02 0.01 -0.04 1.67 1.66 2ywbD1 ARG 42 HG3 0.03 0.11 -0.21 -0.04 1.67 1.56 2ywbD1 ARG 42 HD2 0.02 -0.06 -0.02 -0.04 3.22 3.11 2ywbD1 ARG 42 HD3 0.03 -0.00 -0.08 -0.04 3.22 3.12 2ywbD1 PRO 43 HA 0.06 0.26 0.49 -0.51 4.44 4.75 2ywbD1 PRO 43 HB2 0.06 0.10 0.04 -0.04 2.28 2.43 2ywbD1 PRO 43 HB3 0.06 -0.07 -0.02 -0.04 2.02 1.95 2ywbD1 PRO 43 HG2 0.07 0.02 -0.05 -0.04 2.03 2.03 2ywbD1 PRO 43 HG3 0.08 -0.04 -0.10 -0.04 2.03 1.92 2ywbD1 PRO 43 HD2 0.08 0.01 0.08 -0.04 3.68 3.80 2ywbD1 PRO 43 HD3 0.13 0.09 -0.14 -0.04 3.65 3.69 2ywbD1 GLN 44 H 0.03 0.67 0.40 -0.55 8.47 9.03 2ywbD1 GLN 44 HA 0.02 0.10 0.71 -0.75 4.36 4.44 2ywbD1 GLN 44 HB2 -0.01 -0.03 0.06 -0.04 2.15 2.13 2ywbD1 GLN 44 HB3 -0.02 0.07 0.11 -0.04 2.02 2.14 2ywbD1 GLN 44 HG2 0.02 -0.03 0.07 -0.04 2.40 2.42 2ywbD1 GLN 44 HG3 0.03 0.17 0.17 -0.04 2.39 2.72 2ywbD1 GLN 44 HE21 0.00 -0.32 0.28 -0.04 6.97 6.89 2ywbD1 GLN 44 HE22 -0.00 0.17 0.14 -0.04 7.69 7.95 2ywbD1 ALA 45 H 0.04 0.19 0.16 -0.55 8.40 8.24 2ywbD1 ALA 45 HA 0.08 0.23 0.50 -0.75 4.34 4.40 2ywbD1 ALA 45 HB3 -0.02 0.01 -0.10 -0.04 1.41 1.26 2ywbD1 LEU 46 H 0.28 0.60 0.23 -0.55 8.37 8.93 2ywbD1 LEU 46 HA 0.11 0.19 1.02 -0.75 4.35 4.92 2ywbD1 LEU 46 HB2 0.17 -0.00 0.02 -0.04 1.64 1.79 2ywbD1 LEU 46 HB3 0.13 -0.08 -0.02 -0.04 1.64 1.64 2ywbD1 LEU 46 HG 0.12 0.05 -0.45 -0.04 1.64 1.32 2ywbD1 LEU 46 HD13 0.13 -0.01 -0.13 -0.04 0.93 0.88 2ywbD1 LEU 46 HD23 0.07 0.03 -0.06 -0.04 0.89 0.89 2ywbD1 ILE 47 H 0.09 0.56 0.34 -0.55 8.25 8.69 2ywbD1 ILE 47 HA 0.01 0.30 1.18 -0.75 4.18 4.92 2ywbD1 ILE 47 HB 0.05 -0.05 0.10 -0.04 1.89 1.95 2ywbD1 ILE 47 HG12 -0.03 0.06 -0.11 -0.04 1.49 1.37 2ywbD1 ILE 47 HG13 0.17 -0.02 -0.42 -0.04 1.21 0.91 2ywbD1 ILE 47 HG23 -0.00 -0.02 -0.17 -0.04 0.93 0.69 2ywbD1 ILE 47 HD13 0.09 -0.01 -0.14 -0.04 0.88 0.78 2ywbD1 LEU 48 H 0.07 0.67 0.38 -0.55 8.37 8.94 2ywbD1 LEU 48 HA 0.33 0.15 0.96 -0.75 4.35 5.03 2ywbD1 LEU 48 HB2 0.11 -0.17 0.28 -0.04 1.64 1.81 2ywbD1 LEU 48 HB3 0.28 0.07 0.10 -0.04 1.64 2.05 2ywbD1 LEU 48 HG 0.41 0.03 -0.06 -0.04 1.64 1.98 2ywbD1 LEU 48 HD13 0.18 -0.03 -0.23 -0.04 0.93 0.80 2ywbD1 LEU 48 HD23 0.30 0.02 -0.03 -0.04 0.89 1.14 2ywbD1 SER 49 H 0.32 0.64 0.33 -0.55 8.46 9.21 2ywbD1 SER 49 HA 0.15 0.08 0.54 -0.75 4.49 4.50 2ywbD1 SER 49 HB2 0.17 -0.18 0.19 -0.04 3.95 4.08 2ywbD1 SER 49 HB3 0.13 0.11 0.11 -0.04 3.93 4.24 2ywbD1 GLY 50 H 0.23 -0.04 0.18 -0.55 8.43 8.26 2ywbD1 GLY 50 HA2 0.23 0.11 0.90 -0.51 4.01 4.74 2ywbD1 GLY 50 HA3 0.27 -0.01 0.43 -0.51 4.01 4.19 2ywbD1 GLY 51 H 0.13 0.29 0.23 -0.55 8.43 8.54 2ywbD1 GLY 51 HA2 -0.04 -0.05 0.34 -0.51 4.01 3.75 2ywbD1 GLY 51 HA3 -0.37 0.30 0.24 -0.51 4.01 3.68 2ywbD1 PRO 52 HA -0.03 0.06 0.49 -0.51 4.44 4.45 2ywbD1 PRO 52 HB2 -0.05 0.04 0.03 -0.04 2.28 2.25 2ywbD1 PRO 52 HB3 -0.04 -0.02 0.09 -0.04 2.02 2.00 2ywbD1 PRO 52 HG2 -0.08 0.06 0.06 -0.04 2.03 2.02 2ywbD1 PRO 52 HG3 -0.06 0.08 0.08 -0.04 2.03 2.09 2ywbD1 PRO 52 HD2 -0.12 0.27 0.29 -0.04 3.68 4.08 2ywbD1 PRO 52 HD3 -0.04 0.13 -0.17 -0.04 3.65 3.53 2ywbD1 ARG 53 H -0.21 0.07 -0.22 -0.55 8.46 7.55 2ywbD1 ARG 53 HA -0.07 0.12 0.65 -0.75 4.34 4.28 2ywbD1 ARG 53 HB2 -0.18 0.05 -0.01 -0.04 1.90 1.72 2ywbD1 ARG 53 HB3 -0.06 0.03 0.02 -0.04 1.80 1.75 2ywbD1 ARG 53 HG2 -0.05 -0.03 -0.07 -0.04 1.67 1.47 2ywbD1 ARG 53 HG3 -0.08 -0.05 -0.05 -0.04 1.67 1.45 2ywbD1 ARG 53 HD2 -0.04 0.11 -0.06 -0.04 3.22 3.20 2ywbD1 ARG 53 HD3 -0.02 -0.10 -0.38 -0.04 3.22 2.68 2ywbD1 SER 54 H -0.11 0.09 0.11 -0.55 8.46 8.01 2ywbD1 SER 54 HA -0.06 0.20 0.76 -0.75 4.49 4.64 2ywbD1 SER 54 HB2 -0.24 0.04 0.01 -0.04 3.95 3.73 2ywbD1 SER 54 HB3 -0.57 -0.08 0.06 -0.04 3.93 3.29 2ywbD1 VAL 55 H -0.21 0.15 0.09 -0.55 8.24 7.72 2ywbD1 VAL 55 HA -0.15 0.15 0.28 -0.75 4.13 3.66 2ywbD1 VAL 55 HB -0.13 0.09 -0.11 -0.04 2.12 1.93 2ywbD1 VAL 55 HG13 -0.45 -0.01 -0.10 -0.04 0.97 0.38 2ywbD1 VAL 55 HG23 -0.03 -0.05 0.07 -0.04 0.95 0.89 2ywbD1 PHE 56 H -0.45 0.04 -0.05 -0.55 8.34 7.33 2ywbD1 PHE 56 HA -0.01 0.15 0.41 -0.75 4.62 4.41 2ywbD1 PHE 56 HB2 -0.00 -0.01 0.00 -0.04 3.15 3.10 2ywbD1 PHE 56 HB3 -0.02 0.04 0.07 -0.04 3.06 3.12 2ywbD1 PHE 56 HD2 -0.01 0.05 -0.11 -0.04 7.28 7.18 2ywbD1 PHE 56 HE2 0.00 0.20 0.04 -0.04 7.38 7.58 2ywbD1 PHE 56 HZ 0.00 -0.07 0.04 -0.04 7.32 7.26 2ywbD1 ASP 57 H -0.58 -0.10 -0.58 -0.55 8.40 6.59 2ywbD1 ASP 57 HA 0.04 -0.03 0.29 -0.75 4.63 4.18 2ywbD1 ASP 57 HB2 -0.22 -0.17 0.08 -0.04 2.71 2.36 2ywbD1 ASP 57 HB3 -0.10 0.41 0.03 -0.04 2.70 3.00 2ywbD1 PRO 58 HA 0.04 0.21 0.56 -0.51 4.44 4.73 2ywbD1 PRO 58 HB2 0.03 0.03 0.05 -0.04 2.28 2.34 2ywbD1 PRO 58 HB3 0.04 0.04 0.14 -0.04 2.02 2.19 2ywbD1 PRO 58 HG2 0.02 -0.21 0.17 -0.04 2.03 1.97 2ywbD1 PRO 58 HG3 0.03 0.04 0.10 -0.04 2.03 2.17 2ywbD1 PRO 58 HD2 0.03 0.02 0.21 -0.04 3.68 3.90 2ywbD1 PRO 58 HD3 0.07 0.15 0.17 -0.04 3.65 4.00 2ywbD1 ASP 59 H 0.01 0.07 -0.00 -0.55 8.40 7.93 2ywbD1 ASP 59 HA 0.02 0.13 0.40 -0.75 4.63 4.42 2ywbD1 ASP 59 HB2 0.00 -0.04 0.04 -0.04 2.71 2.67 2ywbD1 ASP 59 HB3 0.00 0.01 0.14 -0.04 2.70 2.82 2ywbD1 ALA 60 H 0.03 0.29 -1.37 -0.55 8.40 6.80 2ywbD1 ALA 60 HA 0.03 -0.06 0.40 -0.75 4.34 3.96 2ywbD1 ALA 60 HB3 0.08 0.02 -0.06 -0.04 1.41 1.41 2ywbD1 PRO 61 HA 0.13 0.02 0.40 -0.51 4.44 4.48 2ywbD1 PRO 61 HB2 0.45 -0.03 -0.01 -0.04 2.28 2.66 2ywbD1 PRO 61 HB3 0.16 -0.05 0.05 -0.04 2.02 2.13 2ywbD1 PRO 61 HG2 0.01 0.01 0.04 -0.04 2.03 2.04 2ywbD1 PRO 61 HG3 0.03 0.06 0.06 -0.04 2.03 2.14 2ywbD1 PRO 61 HD2 -0.04 0.04 0.14 -0.04 3.68 3.77 2ywbD1 PRO 61 HD3 -0.00 0.17 0.27 -0.04 3.65 4.05 2ywbD1 ARG 62 H 0.16 0.15 0.13 -0.55 8.46 8.35 2ywbD1 ARG 62 HA 0.19 0.17 0.74 -0.75 4.34 4.68 2ywbD1 ARG 62 HB2 0.06 -0.06 -0.01 -0.04 1.90 1.85 2ywbD1 ARG 62 HB3 0.03 0.08 -0.03 -0.04 1.80 1.85 2ywbD1 ARG 62 HG2 0.01 -0.02 -0.04 -0.04 1.67 1.58 2ywbD1 ARG 62 HG3 0.07 0.17 -0.45 -0.04 1.67 1.42 2ywbD1 ARG 62 HD2 0.03 -0.02 -0.05 -0.04 3.22 3.14 2ywbD1 ARG 62 HD3 0.01 -0.05 -0.04 -0.04 3.22 3.10 2ywbD1 PRO 63 HA 0.10 0.31 0.65 -0.51 4.44 4.98 2ywbD1 PRO 63 HB2 -0.19 -0.01 0.01 -0.04 2.28 2.04 2ywbD1 PRO 63 HB3 0.26 0.03 0.05 -0.04 2.02 2.32 2ywbD1 PRO 63 HG2 -0.39 0.03 -0.15 -0.04 2.03 1.48 2ywbD1 PRO 63 HG3 -0.27 0.01 -0.06 -0.04 2.03 1.67 2ywbD1 PRO 63 HD2 -0.01 0.13 0.13 -0.04 3.68 3.89 2ywbD1 PRO 63 HD3 0.07 0.11 0.05 -0.04 3.65 3.84 2ywbD1 ASP 64 H -0.04 0.20 0.12 -0.55 8.40 8.13 2ywbD1 ASP 64 HA -0.03 0.14 0.41 -0.75 4.63 4.39 2ywbD1 ASP 64 HB2 -0.02 0.18 0.05 -0.04 2.71 2.88 2ywbD1 ASP 64 HB3 -0.04 -0.02 0.16 -0.04 2.70 2.77 2ywbD1 PRO 65 HA -0.10 0.14 0.35 -0.51 4.44 4.32 2ywbD1 PRO 65 HB2 -0.02 -0.05 0.05 -0.04 2.28 2.22 2ywbD1 PRO 65 HB3 -0.02 0.07 0.08 -0.04 2.02 2.11 2ywbD1 PRO 65 HG2 -0.01 0.01 0.08 -0.04 2.03 2.07 2ywbD1 PRO 65 HG3 -0.03 0.13 0.11 -0.04 2.03 2.20 2ywbD1 PRO 65 HD2 -0.02 -0.01 0.20 -0.04 3.68 3.80 2ywbD1 PRO 65 HD3 -0.03 0.26 0.25 -0.04 3.65 4.09 2ywbD1 ARG 66 H -0.04 0.01 -0.38 -0.55 8.46 7.50 2ywbD1 ARG 66 HA 0.00 0.20 0.59 -0.75 4.34 4.38 2ywbD1 ARG 66 HB2 -0.00 -0.05 -0.01 -0.04 1.90 1.79 2ywbD1 ARG 66 HB3 0.02 0.05 0.04 -0.04 1.80 1.87 2ywbD1 ARG 66 HG2 -0.00 -0.06 -0.02 -0.04 1.67 1.54 2ywbD1 ARG 66 HG3 0.01 0.02 -0.02 -0.04 1.67 1.64 2ywbD1 ARG 66 HD2 0.00 -0.00 -0.32 -0.04 3.22 2.86 2ywbD1 ARG 66 HD3 0.01 0.01 -0.07 -0.04 3.22 3.12 2ywbD1 LEU 67 H -0.10 0.67 -0.17 -0.55 8.37 8.22 2ywbD1 LEU 67 HA 0.02 0.02 0.35 -0.75 4.35 3.98 2ywbD1 LEU 67 HB2 -0.09 -0.08 0.14 -0.04 1.64 1.57 2ywbD1 LEU 67 HB3 -0.39 0.06 0.05 -0.04 1.64 1.32 2ywbD1 LEU 67 HG 0.17 0.02 -0.32 -0.04 1.64 1.47 2ywbD1 LEU 67 HD13 0.07 -0.00 -0.00 -0.04 0.93 0.96 2ywbD1 LEU 67 HD23 0.05 -0.00 -0.05 -0.04 0.89 0.84 2ywbD1 PHE 68 H -0.21 0.25 -0.22 -0.55 8.34 7.61 2ywbD1 PHE 68 HA 0.08 0.08 0.37 -0.75 4.62 4.40 2ywbD1 PHE 68 HB2 0.04 0.10 -0.03 -0.04 3.15 3.21 2ywbD1 PHE 68 HB3 0.07 0.00 0.09 -0.04 3.06 3.18 2ywbD1 PHE 68 HD2 0.03 0.06 -0.17 -0.04 7.28 7.16 2ywbD1 PHE 68 HE2 -0.00 0.04 -0.19 -0.04 7.38 7.19 2ywbD1 PHE 68 HZ -0.05 -0.04 -0.16 -0.04 7.32 7.03 2ywbD1 SER 69 H 0.11 0.44 -0.79 -0.55 8.46 7.68 2ywbD1 SER 69 HA 0.11 0.16 0.83 -0.75 4.49 4.83 2ywbD1 SER 69 HB2 0.06 0.10 0.07 -0.04 3.95 4.13 2ywbD1 SER 69 HB3 0.06 -0.05 0.10 -0.04 3.93 4.00 2ywbD1 SER 70 H 0.10 0.44 -0.01 -0.55 8.46 8.45 2ywbD1 SER 70 HA 0.06 0.03 0.39 -0.75 4.49 4.21 2ywbD1 SER 70 HB2 0.06 0.00 0.07 -0.04 3.95 4.05 2ywbD1 SER 70 HB3 0.06 -0.07 0.13 -0.04 3.93 4.01 2ywbD1 GLY 71 H 0.10 0.11 -0.46 -0.55 8.43 7.63 2ywbD1 GLY 71 HA2 0.06 -0.03 0.17 -0.51 4.01 3.70 2ywbD1 GLY 71 HA3 0.05 0.10 0.43 -0.51 4.01 4.07 2ywbD1 LEU 72 H 0.09 -0.06 -0.40 -0.55 8.37 7.46 2ywbD1 LEU 72 HA 0.06 0.23 0.49 -0.75 4.35 4.38 2ywbD1 LEU 72 HB2 0.11 -0.14 -0.07 -0.04 1.64 1.50 2ywbD1 LEU 72 HB3 0.10 0.10 -0.21 -0.04 1.64 1.59 2ywbD1 LEU 72 HG 0.07 -0.05 -0.14 -0.04 1.64 1.47 2ywbD1 LEU 72 HD13 0.08 -0.03 -0.14 -0.04 0.93 0.79 2ywbD1 LEU 72 HD23 0.05 0.04 -0.11 -0.04 0.89 0.83 2ywbD1 PRO 73 HA 0.14 0.16 0.48 -0.51 4.44 4.71 2ywbD1 PRO 73 HB2 0.00 -0.10 0.25 -0.04 2.28 2.39 2ywbD1 PRO 73 HB3 0.01 0.03 0.20 -0.04 2.02 2.22 2ywbD1 PRO 73 HG2 -0.03 0.26 0.28 -0.04 2.03 2.50 2ywbD1 PRO 73 HG3 0.01 -0.00 0.18 -0.04 2.03 2.19 2ywbD1 PRO 73 HD2 0.04 0.22 0.16 -0.04 3.68 4.06 2ywbD1 PRO 73 HD3 0.04 0.15 0.28 -0.04 3.65 4.07 2ywbD1 LEU 74 H 0.26 0.49 0.39 -0.55 8.37 8.96 2ywbD1 LEU 74 HA 0.26 0.29 1.12 -0.75 4.35 5.27 2ywbD1 LEU 74 HB2 0.12 -0.11 0.08 -0.04 1.64 1.69 2ywbD1 LEU 74 HB3 0.10 -0.10 -0.05 -0.04 1.64 1.54 2ywbD1 LEU 74 HG 0.18 0.39 -0.34 -0.04 1.64 1.83 2ywbD1 LEU 74 HD13 0.21 -0.04 -0.12 -0.04 0.93 0.94 2ywbD1 LEU 74 HD23 0.21 -0.02 -0.10 -0.04 0.89 0.95 2ywbD1 LEU 75 H -0.04 0.49 0.30 -0.55 8.37 8.58 2ywbD1 LEU 75 HA -0.25 0.20 0.91 -0.75 4.35 4.46 2ywbD1 LEU 75 HB2 -2.09 0.08 -0.08 -0.04 1.64 -0.49 2ywbD1 LEU 75 HB3 -0.71 -0.00 0.16 -0.04 1.64 1.05 2ywbD1 LEU 75 HG -0.30 -0.09 -0.28 -0.04 1.64 0.92 2ywbD1 LEU 75 HD13 -0.35 0.01 -0.12 -0.04 0.93 0.43 2ywbD1 LEU 75 HD23 -0.43 -0.01 -0.09 -0.04 0.89 0.32 2ywbD1 GLY 76 H -0.07 0.86 0.41 -0.55 8.43 9.09 2ywbD1 GLY 76 HA2 -0.02 0.10 0.93 -0.51 4.01 4.51 2ywbD1 GLY 76 HA3 -0.06 0.08 0.04 -0.51 4.01 3.56 2ywbD1 ILE 77 H -0.02 0.69 0.25 -0.55 8.25 8.62 2ywbD1 ILE 77 HA -0.19 0.26 1.13 -0.75 4.18 4.63 2ywbD1 ILE 77 HB -0.02 0.01 0.20 -0.04 1.89 2.04 2ywbD1 ILE 77 HG12 -0.15 0.06 -0.04 -0.04 1.49 1.32 2ywbD1 ILE 77 HG13 -0.11 0.01 -0.41 -0.04 1.21 0.66 2ywbD1 ILE 77 HG23 -0.24 0.03 -0.04 -0.04 0.93 0.64 2ywbD1 ILE 77 HD13 -0.02 -0.02 -0.06 -0.04 0.88 0.74 2ywbD1 CYS 78 H -0.18 0.98 0.41 -0.55 8.50 9.16 2ywbD1 CYS 78 HA -0.08 0.12 0.41 -0.75 4.58 4.28 2ywbD1 CYS 78 HB2 -0.03 -0.00 0.16 -0.04 2.97 3.06 2ywbD1 CYS 78 HB3 0.05 0.10 0.18 -0.04 2.97 3.26 2ywbD1 TYR 79 H 0.15 0.09 0.36 -0.55 8.29 8.34 2ywbD1 TYR 79 HA -0.07 0.08 0.38 -0.75 4.56 4.19 2ywbD1 TYR 79 HB2 0.01 -0.05 0.26 -0.04 3.06 3.23 2ywbD1 TYR 79 HB3 -0.02 0.07 0.16 -0.04 2.98 3.15 2ywbD1 TYR 79 HD2 -0.25 0.07 -0.15 -0.04 7.15 6.78 2ywbD1 TYR 79 HE2 -0.31 0.00 -0.44 -0.04 6.85 6.06 2ywbD1 GLY 80 H 0.03 0.51 -0.61 -0.55 8.43 7.82 2ywbD1 GLY 80 HA2 -0.21 0.10 0.36 -0.51 4.01 3.75 2ywbD1 GLY 80 HA3 -0.02 0.04 0.17 -0.51 4.01 3.68 2ywbD1 MET 81 H -0.11 0.17 -0.63 -0.55 8.47 7.35 2ywbD1 MET 81 HA -0.11 0.07 0.42 -0.75 4.52 4.14 2ywbD1 MET 81 HB2 -0.12 -0.03 0.03 -0.04 2.15 1.99 2ywbD1 MET 81 HB3 -0.11 0.12 -0.08 -0.04 2.03 1.93 2ywbD1 MET 81 HG2 -0.09 0.03 -0.32 -0.04 2.63 2.21 2ywbD1 MET 81 HG3 -0.05 -0.05 -0.04 -0.04 2.56 2.38 2ywbD1 MET 81 HE3 -0.04 0.03 -0.19 -0.04 2.10 1.86 2ywbD1 GLN 82 H -0.17 0.57 -0.38 -0.55 8.47 7.94 2ywbD1 GLN 82 HA -0.15 0.01 0.34 -0.75 4.36 3.80 2ywbD1 GLN 82 HB2 -0.30 0.17 0.03 -0.04 2.15 2.00 2ywbD1 GLN 82 HB3 -0.16 -0.05 -0.04 -0.04 2.02 1.73 2ywbD1 GLN 82 HG2 -0.08 -0.09 -0.18 -0.04 2.40 2.01 2ywbD1 GLN 82 HG3 -0.10 0.28 -0.17 -0.04 2.39 2.36 2ywbD1 GLN 82 HE21 0.00 0.06 -0.01 -0.04 6.97 6.98 2ywbD1 GLN 82 HE22 -0.10 0.00 -0.02 -0.04 7.69 7.52 2ywbD1 LEU 83 H -0.33 0.39 -0.25 -0.55 8.37 7.64 2ywbD1 LEU 83 HA -0.22 0.05 0.33 -0.75 4.35 3.76 2ywbD1 LEU 83 HB2 -0.18 0.10 0.12 -0.04 1.64 1.63 2ywbD1 LEU 83 HB3 0.07 -0.01 -0.06 -0.04 1.64 1.59 2ywbD1 LEU 83 HG -0.87 0.19 0.02 -0.04 1.64 0.94 2ywbD1 LEU 83 HD13 -0.81 -0.02 -0.08 -0.04 0.93 -0.02 2ywbD1 LEU 83 HD23 -0.32 0.02 -0.01 -0.04 0.89 0.54 2ywbD1 LEU 84 H -0.26 0.33 -0.36 -0.55 8.37 7.55 2ywbD1 LEU 84 HA -0.66 0.06 0.28 -0.75 4.35 3.27 2ywbD1 LEU 84 HB2 -0.30 0.14 0.05 -0.04 1.64 1.49 2ywbD1 LEU 84 HB3 -0.59 -0.02 -0.13 -0.04 1.64 0.86 2ywbD1 LEU 84 HG -0.50 -0.00 -0.06 -0.04 1.64 1.04 2ywbD1 LEU 84 HD13 -0.45 0.10 -0.04 -0.04 0.93 0.50 2ywbD1 LEU 84 HD23 0.01 -0.04 -0.13 -0.04 0.89 0.70 2ywbD1 ALA 85 H -0.27 0.32 -0.34 -0.55 8.40 7.57 2ywbD1 ALA 85 HA -0.41 0.04 0.45 -0.75 4.34 3.65 2ywbD1 ALA 85 HB3 -0.20 0.02 -0.05 -0.04 1.41 1.14 2ywbD1 GLN 86 H -0.16 0.72 -0.10 -0.55 8.47 8.39 2ywbD1 GLN 86 HA -0.08 0.12 0.33 -0.75 4.36 3.97 2ywbD1 GLN 86 HB2 -0.03 -0.05 0.04 -0.04 2.15 2.06 2ywbD1 GLN 86 HB3 -0.09 0.00 0.02 -0.04 2.02 1.91 2ywbD1 GLN 86 HG2 -0.12 0.01 -0.02 -0.04 2.40 2.23 2ywbD1 GLN 86 HG3 -0.05 0.09 -0.55 -0.04 2.39 1.85 2ywbD1 GLN 86 HE21 0.02 0.07 -0.17 -0.04 6.97 6.85 2ywbD1 GLN 86 HE22 -0.00 -0.03 -0.08 -0.04 7.69 7.54 2ywbD1 GLU 87 H -0.09 0.35 -0.42 -0.55 8.60 7.89 2ywbD1 GLU 87 HA -0.01 0.20 0.98 -0.75 4.29 4.70 2ywbD1 GLU 87 HB2 0.24 0.03 -0.02 -0.04 2.09 2.30 2ywbD1 GLU 87 HB3 0.08 -0.06 0.12 -0.04 1.99 2.09 2ywbD1 GLU 87 HG2 0.00 -0.01 -0.27 -0.04 2.34 2.03 2ywbD1 GLU 87 HG3 0.04 0.28 0.01 -0.04 2.34 2.63 2ywbD1 LEU 88 H -0.17 0.20 -0.20 -0.55 8.37 7.65 2ywbD1 LEU 88 HA -0.05 0.22 0.98 -0.75 4.35 4.75 2ywbD1 LEU 88 HB2 -0.48 0.21 0.17 -0.04 1.64 1.49 2ywbD1 LEU 88 HB3 -0.27 -0.07 0.21 -0.04 1.64 1.46 2ywbD1 LEU 88 HG -0.20 -0.01 -0.12 -0.04 1.64 1.27 2ywbD1 LEU 88 HD13 -0.27 -0.03 -0.01 -0.04 0.93 0.58 2ywbD1 LEU 88 HD23 0.10 0.04 -0.00 -0.04 0.89 0.99 2ywbD1 GLY 89 H -0.10 0.18 -0.17 -0.55 8.43 7.80 2ywbD1 GLY 89 HA2 -0.07 -0.02 0.29 -0.51 4.01 3.71 2ywbD1 GLY 89 HA3 -0.09 0.14 0.84 -0.51 4.01 4.39 2ywbD1 GLY 90 H -0.21 0.13 -0.01 -0.55 8.43 7.79 2ywbD1 GLY 90 HA2 -0.14 0.20 0.13 -0.51 4.01 3.68 2ywbD1 GLY 90 HA3 -0.21 -0.11 0.16 -0.51 4.01 3.33 2ywbD1 ARG 91 H -0.09 0.81 0.27 -0.55 8.46 8.91 2ywbD1 ARG 91 HA -0.06 0.21 0.90 -0.75 4.34 4.64 2ywbD1 ARG 91 HB2 -0.05 0.11 -0.11 -0.04 1.90 1.82 2ywbD1 ARG 91 HB3 -0.04 -0.11 0.04 -0.04 1.80 1.65 2ywbD1 ARG 91 HG2 -0.04 -0.11 -0.22 -0.04 1.67 1.27 2ywbD1 ARG 91 HG3 -0.04 0.06 -0.01 -0.04 1.67 1.64 2ywbD1 ARG 91 HD2 -0.03 0.06 -0.07 -0.04 3.22 3.13 2ywbD1 ARG 91 HD3 -0.03 -0.02 -0.12 -0.04 3.22 3.01 2ywbD1 VAL 92 H -0.03 0.30 0.10 -0.55 8.24 8.05 2ywbD1 VAL 92 HA -0.02 -0.06 1.10 -0.75 4.13 4.39 2ywbD1 VAL 92 HB -0.05 -0.01 -0.19 -0.04 2.12 1.83 2ywbD1 VAL 92 HG13 0.01 0.01 0.00 -0.04 0.97 0.95 2ywbD1 VAL 92 HG23 0.03 0.08 -0.16 -0.04 0.95 0.85 2ywbD1 GLU 93 H 0.00 0.27 0.25 -0.55 8.60 8.58 2ywbD1 GLU 93 HA -0.04 0.06 0.17 -0.75 4.29 3.73 2ywbD1 GLU 93 HB2 -0.01 0.03 0.12 -0.04 2.09 2.19 2ywbD1 GLU 93 HB3 -0.01 0.00 0.18 -0.04 1.99 2.12 2ywbD1 GLU 93 HG2 -0.04 -0.00 -0.09 -0.04 2.34 2.17 2ywbD1 GLU 93 HG3 -0.03 0.04 -0.01 -0.04 2.34 2.31 2ywbD1 ARG 94 H -0.06 0.10 0.11 -0.55 8.46 8.06 2ywbD1 ARG 94 HA -0.01 0.09 0.19 -0.75 4.34 3.86 2ywbD1 ARG 94 HB2 0.01 0.07 0.02 -0.04 1.90 1.96 2ywbD1 ARG 94 HB3 0.02 -0.08 -0.09 -0.04 1.80 1.62 2ywbD1 ARG 94 HG2 0.08 -0.08 -0.05 -0.04 1.67 1.58 2ywbD1 ARG 94 HG3 0.04 0.00 0.01 -0.04 1.67 1.68 2ywbD1 ARG 94 HD2 0.01 0.01 -0.08 -0.04 3.22 3.13 2ywbD1 ARG 94 HD3 0.03 -0.08 -0.20 -0.04 3.22 2.93 2ywbD1 TYR 100 HA -0.70 0.02 0.35 -0.75 4.56 3.47 2ywbD1 TYR 100 HB2 -1.05 -0.07 -0.06 -0.04 3.06 1.84 2ywbD1 TYR 100 HB3 -1.89 0.04 0.06 -0.04 2.98 1.15 2ywbD1 TYR 100 HD2 0.21 0.02 0.04 -0.04 7.15 7.39 2ywbD1 TYR 100 HE2 0.24 -0.02 0.01 -0.04 6.85 7.04 2ywbD1 GLY 101 H -1.19 0.35 0.17 -0.55 8.43 7.22 2ywbD1 GLY 101 HA2 -0.50 0.01 0.49 -0.51 4.01 3.50 2ywbD1 GLY 101 HA3 -0.29 0.07 0.35 -0.51 4.01 3.64 2ywbD1 LYS 102 H 0.08 0.10 0.19 -0.55 8.42 8.24 2ywbD1 LYS 102 HA 0.25 0.27 0.74 -0.75 4.32 4.82 2ywbD1 LYS 102 HB2 0.14 -0.03 0.12 -0.04 1.87 2.05 2ywbD1 LYS 102 HB3 0.16 0.02 0.10 -0.04 1.79 2.04 2ywbD1 LYS 102 HG2 0.46 0.06 0.03 -0.04 1.46 1.96 2ywbD1 LYS 102 HG3 0.48 -0.06 0.09 -0.04 1.46 1.93 2ywbD1 LYS 102 HD2 0.13 -0.01 0.03 -0.04 1.69 1.79 2ywbD1 LYS 102 HD3 0.13 0.04 0.02 -0.04 1.68 1.83 2ywbD1 LYS 102 HE2 0.06 -0.01 0.00 -0.04 2.99 3.01 2ywbD1 LYS 102 HE3 0.03 -0.02 0.01 -0.04 2.99 2.97 2ywbD1 ALA 103 H 0.09 0.46 0.44 -0.55 8.40 8.84 2ywbD1 ALA 103 HA 0.05 0.05 0.57 -0.75 4.34 4.26 2ywbD1 ALA 103 HB3 0.07 0.02 -0.05 -0.04 1.41 1.41 2ywbD1 LEU 104 H 0.03 0.12 0.19 -0.55 8.37 8.16 2ywbD1 LEU 104 HA -0.00 0.26 0.92 -0.75 4.35 4.77 2ywbD1 LEU 104 HB2 0.02 -0.07 0.12 -0.04 1.64 1.66 2ywbD1 LEU 104 HB3 0.01 0.14 -0.11 -0.04 1.64 1.64 2ywbD1 LEU 104 HG 0.02 -0.05 -0.09 -0.04 1.64 1.48 2ywbD1 LEU 104 HD13 0.01 0.01 -0.04 -0.04 0.93 0.88 2ywbD1 LEU 104 HD23 0.00 0.01 -0.16 -0.04 0.89 0.70 2ywbD1 LEU 105 H -0.02 0.52 0.25 -0.55 8.37 8.57 2ywbD1 LEU 105 HA 0.02 0.05 0.57 -0.75 4.35 4.23 2ywbD1 LEU 105 HB2 0.03 -0.00 0.16 -0.04 1.64 1.79 2ywbD1 LEU 105 HB3 0.04 0.21 0.09 -0.04 1.64 1.94 2ywbD1 LEU 105 HG -0.13 0.13 0.03 -0.04 1.64 1.63 2ywbD1 LEU 105 HD13 -0.15 0.01 -0.04 -0.04 0.93 0.71 2ywbD1 LEU 105 HD23 0.04 -0.05 -0.17 -0.04 0.89 0.68 2ywbD1 THR 106 H 0.01 0.61 0.55 -0.55 8.28 8.91 2ywbD1 THR 106 HA 0.00 0.07 0.59 -0.75 4.39 4.30 2ywbD1 THR 106 HB -0.00 -0.09 -0.01 -0.04 4.32 4.18 2ywbD1 THR 106 HG23 -0.01 0.05 -0.29 -0.04 1.22 0.93 2ywbD1 ARG 107 H -0.03 0.25 0.12 -0.55 8.46 8.25 2ywbD1 ARG 107 HA -0.25 0.19 0.67 -0.75 4.34 4.19 2ywbD1 ARG 107 HB2 -0.06 -0.10 -0.07 -0.04 1.90 1.64 2ywbD1 ARG 107 HB3 -0.10 0.04 -0.15 -0.04 1.80 1.55 2ywbD1 ARG 107 HG2 -0.10 0.05 0.01 -0.04 1.67 1.58 2ywbD1 ARG 107 HG3 -0.06 -0.00 -0.33 -0.04 1.67 1.24 2ywbD1 ARG 107 HD2 -0.04 -0.01 -0.07 -0.04 3.22 3.07 2ywbD1 ARG 107 HD3 -0.03 -0.00 -0.12 -0.04 3.22 3.03 2ywbD1 HIS 108 H -0.43 0.17 -0.04 -0.55 8.41 7.55 2ywbD1 HIS 108 HA -0.63 0.37 0.72 -0.75 4.63 4.34 2ywbD1 HIS 108 HB2 -1.33 0.02 0.03 -0.04 3.26 1.94 2ywbD1 HIS 108 HB3 -0.75 0.04 0.14 -0.04 3.20 2.59 2ywbD1 HIS 108 HD2 -0.14 -0.02 -0.38 -0.04 6.97 6.38 2ywbD1 HIS 108 HE1 -0.01 -0.01 0.07 -0.04 7.75 7.76 2ywbD1 GLU 109 H -0.01 0.64 0.33 -0.55 8.60 9.00 2ywbD1 GLU 109 HA 0.11 0.22 0.98 -0.75 4.29 4.84 2ywbD1 GLU 109 HB2 0.05 0.01 0.04 -0.04 2.09 2.16 2ywbD1 GLU 109 HB3 0.05 -0.06 0.10 -0.04 1.99 2.05 2ywbD1 GLU 109 HG2 -0.04 0.06 -0.07 -0.04 2.34 2.25 2ywbD1 GLU 109 HG3 -0.09 -0.17 -0.32 -0.04 2.34 1.73 2ywbD1 GLY 110 H 0.13 0.11 0.11 -0.55 8.43 8.23 2ywbD1 GLY 110 HA2 0.11 0.08 0.36 -0.51 4.01 4.05 2ywbD1 GLY 110 HA3 0.19 0.18 0.72 -0.51 4.01 4.59 2ywbD1 PRO 111 HA 0.03 0.05 0.45 -0.51 4.44 4.45 2ywbD1 PRO 111 HB2 -0.01 0.14 0.04 -0.04 2.28 2.40 2ywbD1 PRO 111 HB3 0.03 0.02 0.12 -0.04 2.02 2.15 2ywbD1 PRO 111 HG2 0.05 0.06 0.04 -0.04 2.03 2.14 2ywbD1 PRO 111 HG3 0.10 0.13 0.08 -0.04 2.03 2.30 2ywbD1 PRO 111 HD2 0.15 0.12 0.24 -0.04 3.68 4.14 2ywbD1 PRO 111 HD3 0.08 0.12 0.18 -0.04 3.65 4.00 2ywbD1 LEU 112 H -0.05 0.11 -0.36 -0.55 8.37 7.52 2ywbD1 LEU 112 HA -0.34 0.13 0.35 -0.75 4.35 3.74 2ywbD1 LEU 112 HB2 -0.65 0.01 0.01 -0.04 1.64 0.97 2ywbD1 LEU 112 HB3 -0.47 0.04 -0.08 -0.04 1.64 1.08 2ywbD1 LEU 112 HG -0.81 -0.02 -0.08 -0.04 1.64 0.69 2ywbD1 LEU 112 HD13 -0.45 0.02 -0.03 -0.04 0.93 0.43 2ywbD1 LEU 112 HD23 -0.26 -0.02 -0.08 -0.04 0.89 0.49 2ywbD1 PHE 113 H 0.09 0.32 -0.57 -0.55 8.34 7.62 2ywbD1 PHE 113 HA 0.01 0.20 0.76 -0.75 4.62 4.84 2ywbD1 PHE 113 HB2 0.12 0.05 -0.30 -0.04 3.15 2.98 2ywbD1 PHE 113 HB3 0.07 0.03 0.03 -0.04 3.06 3.15 2ywbD1 PHE 113 HD2 0.05 0.14 -0.16 -0.04 7.28 7.27 2ywbD1 PHE 113 HE2 0.19 -0.06 -0.15 -0.04 7.38 7.32 2ywbD1 PHE 113 HZ 0.26 -0.08 -0.14 -0.04 7.32 7.31 2ywbD1 ARG 114 H 0.02 0.31 -0.35 -0.55 8.46 7.89 2ywbD1 ARG 114 HA 0.08 -0.02 0.37 -0.75 4.34 4.02 2ywbD1 ARG 114 HB2 0.00 0.15 0.11 -0.04 1.90 2.13 2ywbD1 ARG 114 HB3 0.02 -0.03 -0.03 -0.04 1.80 1.71 2ywbD1 ARG 114 HG2 0.05 -0.05 -0.00 -0.04 1.67 1.62 2ywbD1 ARG 114 HG3 0.03 -0.05 0.13 -0.04 1.67 1.74 2ywbD1 ARG 114 HD2 0.02 -0.03 0.01 -0.04 3.22 3.18 2ywbD1 ARG 114 HD3 0.00 0.08 0.03 -0.04 3.22 3.30 2ywbD1 GLY 115 H 0.05 0.09 0.10 -0.55 8.43 8.13 2ywbD1 GLY 115 HA2 0.02 -0.05 0.32 -0.51 4.01 3.80 2ywbD1 GLY 115 HA3 0.02 0.15 0.50 -0.51 4.01 4.17 2ywbD1 LEU 116 H 0.06 0.54 -0.62 -0.55 8.37 7.81 2ywbD1 LEU 116 HA -0.02 0.07 0.70 -0.75 4.35 4.34 2ywbD1 LEU 116 HB2 0.06 0.15 0.09 -0.04 1.64 1.91 2ywbD1 LEU 116 HB3 -0.16 -0.03 -0.01 -0.04 1.64 1.40 2ywbD1 LEU 116 HG -0.01 -0.05 -0.08 -0.04 1.64 1.46 2ywbD1 LEU 116 HD13 0.03 -0.04 -0.29 -0.04 0.93 0.59 2ywbD1 LEU 116 HD23 0.09 -0.01 -0.08 -0.04 0.89 0.85 2ywbD1 GLU 117 H 0.00 0.22 0.07 -0.55 8.60 8.35 2ywbD1 GLU 117 HA 0.11 0.20 0.69 -0.75 4.29 4.53 2ywbD1 GLU 117 HB2 0.02 0.05 0.03 -0.04 2.09 2.15 2ywbD1 GLU 117 HB3 0.03 -0.13 0.11 -0.04 1.99 1.96 2ywbD1 GLU 117 HG2 0.03 -0.03 -0.01 -0.04 2.34 2.29 2ywbD1 GLU 117 HG3 0.06 0.02 0.02 -0.04 2.34 2.40 2ywbD1 GLY 118 H 0.05 0.05 0.10 -0.55 8.43 8.08 2ywbD1 GLY 118 HA2 0.03 -0.01 0.31 -0.51 4.01 3.83 2ywbD1 GLY 118 HA3 0.01 -0.01 0.37 -0.51 4.01 3.87 2ywbD1 GLU 119 H 0.00 0.05 0.18 -0.55 8.60 8.29 2ywbD1 GLU 119 HA 0.01 0.15 0.68 -0.75 4.29 4.38 2ywbD1 GLU 119 HB2 0.00 -0.03 0.00 -0.04 2.09 2.02 2ywbD1 GLU 119 HB3 0.01 -0.02 0.07 -0.04 1.99 2.01 2ywbD1 GLU 119 HG2 -0.00 -0.01 0.10 -0.04 2.34 2.38 2ywbD1 GLU 119 HG3 -0.01 0.03 0.07 -0.04 2.34 2.39 2ywbD1 VAL 120 H -0.03 0.19 0.09 -0.55 8.24 7.95 2ywbD1 VAL 120 HA -0.08 0.19 0.96 -0.75 4.13 4.45 2ywbD1 VAL 120 HB -0.17 -0.07 0.16 -0.04 2.12 2.00 2ywbD1 VAL 120 HG13 -0.14 -0.01 -0.16 -0.04 0.97 0.61 2ywbD1 VAL 120 HG23 -0.33 0.07 -0.30 -0.04 0.95 0.34 2ywbD1 GLN 121 H -0.04 0.17 0.03 -0.55 8.47 8.09 2ywbD1 GLN 121 HA -0.01 0.16 0.72 -0.75 4.36 4.47 2ywbD1 GLN 121 HB2 0.01 -0.06 0.06 -0.04 2.15 2.13 2ywbD1 GLN 121 HB3 -0.00 -0.01 0.16 -0.04 2.02 2.12 2ywbD1 GLN 121 HG2 0.08 0.22 -0.17 -0.04 2.40 2.48 2ywbD1 GLN 121 HG3 0.07 -0.10 0.08 -0.04 2.39 2.40 2ywbD1 GLN 121 HE21 0.09 -0.10 0.02 -0.04 6.97 6.94 2ywbD1 GLN 121 HE22 0.11 0.60 0.09 -0.04 7.69 8.45 2ywbD1 VAL 122 H -0.01 0.66 0.48 -0.55 8.24 8.82 2ywbD1 VAL 122 HA -0.09 0.17 0.90 -0.75 4.13 4.36 2ywbD1 VAL 122 HB -0.46 -0.10 -0.12 -0.04 2.12 1.40 2ywbD1 VAL 122 HG13 -0.85 0.04 -0.29 -0.04 0.97 -0.18 2ywbD1 VAL 122 HG23 -0.04 0.02 -0.15 -0.04 0.95 0.74 2ywbD1 TRP 123 H 0.28 0.19 -0.02 -0.55 7.97 7.87 2ywbD1 TRP 123 HA 0.02 0.16 0.62 -0.75 4.62 4.67 2ywbD1 TRP 123 HB2 0.04 -0.02 -0.14 -0.04 3.23 3.07 2ywbD1 TRP 123 HB3 0.02 -0.08 0.23 -0.04 3.23 3.36 2ywbD1 TRP 123 HD1 -0.54 -0.08 -0.01 -0.04 7.22 6.55 2ywbD1 TRP 123 HE1 -0.29 0.01 -0.04 -0.04 10.20 9.83 2ywbD1 TRP 123 HE3 -0.06 0.08 -0.16 -0.04 7.59 7.42 2ywbD1 TRP 123 HZ2 0.14 0.04 -0.08 -0.04 7.44 7.50 2ywbD1 TRP 123 HZ3 -0.24 -0.04 -0.04 -0.04 7.13 6.77 2ywbD1 TRP 123 HH2 -0.17 0.04 -0.09 -0.04 7.19 6.94 2ywbD1 MET 124 H -0.07 0.63 0.18 -0.55 8.47 8.65 2ywbD1 MET 124 HA 0.13 0.09 0.66 -0.75 4.52 4.65 2ywbD1 MET 124 HB2 0.04 0.11 0.01 -0.04 2.15 2.26 2ywbD1 MET 124 HB3 0.14 0.08 -0.07 -0.04 2.03 2.13 2ywbD1 MET 124 HG2 0.11 -0.03 -0.16 -0.04 2.63 2.51 2ywbD1 MET 124 HG3 0.13 -0.07 -0.10 -0.04 2.56 2.47 2ywbD1 MET 124 HE3 0.13 -0.02 -0.05 -0.04 2.10 2.13 2ywbD1 SER 125 H 0.08 0.52 0.27 -0.55 8.46 8.79 2ywbD1 SER 125 HA 0.13 0.10 0.86 -0.75 4.49 4.82 2ywbD1 SER 125 HB2 0.27 -0.07 0.03 -0.04 3.95 4.13 2ywbD1 SER 125 HB3 0.11 0.07 0.15 -0.04 3.93 4.22 2ywbD1 HIS 126 H -0.10 0.18 0.09 -0.55 8.41 8.04 2ywbD1 HIS 126 HA -0.00 0.19 0.51 -0.75 4.63 4.58 2ywbD1 HIS 126 HB2 -0.05 0.03 0.10 -0.04 3.26 3.30 2ywbD1 HIS 126 HB3 -0.03 -0.02 0.06 -0.04 3.20 3.17 2ywbD1 HIS 126 HD2 -0.03 0.03 -0.48 -0.04 6.97 6.45 2ywbD1 HIS 126 HE1 -0.09 -0.00 -0.11 -0.04 7.75 7.50 2ywbD1 GLN 127 H 0.06 0.00 -2.24 -0.55 8.47 5.74 2ywbD1 GLN 127 HA 0.06 0.02 1.11 -0.75 4.36 4.79 2ywbD1 GLN 127 HB2 0.03 0.00 -0.15 -0.04 2.15 1.99 2ywbD1 GLN 127 HB3 0.01 -0.01 -0.71 -0.04 2.02 1.27 2ywbD1 GLN 127 HG2 0.04 -0.11 0.33 -0.04 2.40 2.62 2ywbD1 GLN 127 HG3 0.07 0.02 0.10 -0.04 2.39 2.54 2ywbD1 GLN 127 HE21 0.02 0.16 -0.19 -0.04 6.97 6.92 2ywbD1 GLN 127 HE22 0.09 -0.10 -0.01 -0.04 7.69 7.63 2ywbD1 ASP 128 H 0.07 -0.01 0.19 -0.55 8.40 8.10 2ywbD1 ASP 128 HA 0.09 0.10 0.23 -0.75 4.63 4.30 2ywbD1 ASP 128 HB2 0.04 0.16 0.25 -0.04 2.71 3.11 2ywbD1 ASP 128 HB3 0.06 -0.11 0.04 -0.04 2.70 2.65 2ywbD1 ALA 129 H 0.04 0.32 0.12 -0.55 8.40 8.33 2ywbD1 ALA 129 HA 0.01 0.11 0.60 -0.75 4.34 4.31 2ywbD1 ALA 129 HB3 0.02 0.02 -0.39 -0.04 1.41 1.01 2ywbD1 VAL 130 H -0.01 0.25 0.06 -0.55 8.24 7.99 2ywbD1 VAL 130 HA -0.04 0.12 0.32 -0.75 4.13 3.78 2ywbD1 VAL 130 HB -0.02 0.04 0.05 -0.04 2.12 2.15 2ywbD1 VAL 130 HG13 -0.07 -0.00 -0.32 -0.04 0.97 0.53 2ywbD1 VAL 130 HG23 -0.07 -0.01 -0.19 -0.04 0.95 0.64 2ywbD1 THR 131 H -0.03 0.24 0.36 -0.55 8.28 8.31 2ywbD1 THR 131 HA -0.01 0.07 0.53 -0.75 4.39 4.21 2ywbD1 THR 131 HB -0.03 -0.00 -0.09 -0.04 4.32 4.15 2ywbD1 THR 131 HG23 -0.02 -0.00 -0.05 -0.04 1.22 1.11 2ywbD1 ALA 132 H -0.05 0.56 0.11 -0.55 8.40 8.48 2ywbD1 ALA 132 HA -0.02 0.18 0.64 -0.75 4.34 4.38 2ywbD1 ALA 132 HB3 -0.04 0.01 -0.02 -0.04 1.41 1.32 2ywbD1 PRO 133 HA -0.15 0.05 0.45 -0.51 4.44 4.28 2ywbD1 PRO 133 HB2 0.08 0.09 -0.10 -0.04 2.28 2.30 2ywbD1 PRO 133 HB3 0.03 -0.05 -0.08 -0.04 2.02 1.88 2ywbD1 PRO 133 HG2 0.03 0.09 -0.12 -0.04 2.03 1.99 2ywbD1 PRO 133 HG3 0.06 0.03 -0.10 -0.04 2.03 1.98 2ywbD1 PRO 133 HD2 -0.01 0.08 0.15 -0.04 3.68 3.86 2ywbD1 PRO 133 HD3 0.00 0.13 0.01 -0.04 3.65 3.75 2ywbD1 PRO 134 HA -0.30 0.13 0.08 -0.51 4.44 3.85 2ywbD1 PRO 134 HB2 -1.96 -0.07 -0.05 -0.04 2.28 0.16 2ywbD1 PRO 134 HB3 -0.70 0.27 -0.00 -0.04 2.02 1.54 2ywbD1 PRO 134 HG2 -2.07 0.01 -0.13 -0.04 2.03 -0.20 2ywbD1 PRO 134 HG3 -0.75 0.04 -0.03 -0.04 2.03 1.25 2ywbD1 PRO 134 HD2 -0.74 0.05 0.04 -0.04 3.68 2.99 2ywbD1 PRO 134 HD3 -0.50 0.05 0.08 -0.04 3.65 3.25 2ywbD1 PRO 135 HA 0.03 -0.02 0.43 -0.51 4.44 4.36 2ywbD1 PRO 135 HB2 0.02 0.00 0.14 -0.04 2.28 2.41 2ywbD1 PRO 135 HB3 0.02 -0.03 0.09 -0.04 2.02 2.06 2ywbD1 PRO 135 HG2 -0.03 0.00 0.13 -0.04 2.03 2.09 2ywbD1 PRO 135 HG3 -0.03 0.05 0.10 -0.04 2.03 2.10 2ywbD1 PRO 135 HD2 -0.09 0.25 0.25 -0.04 3.68 4.05 2ywbD1 PRO 135 HD3 -0.11 0.24 -0.17 -0.04 3.65 3.57 2ywbD1 GLY 136 H 0.09 0.13 0.17 -0.55 8.43 8.28 2ywbD1 GLY 136 HA2 0.09 -0.06 0.37 -0.51 4.01 3.90 2ywbD1 GLY 136 HA3 0.16 0.15 0.78 -0.51 4.01 4.58 2ywbD1 TRP 137 H 0.43 0.68 -0.25 -0.55 7.97 8.29 2ywbD1 TRP 137 HA -0.05 0.07 0.63 -0.75 4.62 4.52 2ywbD1 TRP 137 HB2 -0.05 0.08 -0.02 -0.04 3.23 3.20 2ywbD1 TRP 137 HB3 -0.06 -0.04 -0.05 -0.04 3.23 3.04 2ywbD1 TRP 137 HD1 -0.05 0.07 -0.29 -0.04 7.22 6.91 2ywbD1 TRP 137 HE1 -0.06 0.04 -0.02 -0.04 10.20 10.11 2ywbD1 TRP 137 HE3 -0.10 -0.04 -0.37 -0.04 7.59 7.03 2ywbD1 TRP 137 HZ2 -0.13 0.06 -0.03 -0.04 7.44 7.31 2ywbD1 TRP 137 HZ3 -0.15 -0.03 -0.36 -0.04 7.13 6.54 2ywbD1 TRP 137 HH2 -0.21 -0.00 -0.14 -0.04 7.19 6.80 2ywbD1 ARG 138 H 0.06 0.51 0.32 -0.55 8.46 8.80 2ywbD1 ARG 138 HA 0.08 0.17 0.82 -0.75 4.34 4.65 2ywbD1 ARG 138 HB2 0.02 0.01 0.07 -0.04 1.90 1.95 2ywbD1 ARG 138 HB3 0.05 -0.01 -0.08 -0.04 1.80 1.73 2ywbD1 ARG 138 HG2 0.02 0.09 -0.11 -0.04 1.67 1.62 2ywbD1 ARG 138 HG3 0.00 -0.00 -0.02 -0.04 1.67 1.60 2ywbD1 ARG 138 HD2 0.03 -0.02 -0.00 -0.04 3.22 3.19 2ywbD1 ARG 138 HD3 0.03 0.03 -0.00 -0.04 3.22 3.24 2ywbD1 VAL 139 H 0.06 0.19 0.14 -0.55 8.24 8.09 2ywbD1 VAL 139 HA 0.10 0.24 0.99 -0.75 4.13 4.70 2ywbD1 VAL 139 HB 0.04 -0.04 0.25 -0.04 2.12 2.33 2ywbD1 VAL 139 HG13 0.04 0.02 0.05 -0.04 0.97 1.05 2ywbD1 VAL 139 HG23 0.05 0.01 0.00 -0.04 0.95 0.97 2ywbD1 VAL 140 H 0.15 0.34 0.01 -0.55 8.24 8.19 2ywbD1 VAL 140 HA 0.09 0.15 0.71 -0.75 4.13 4.32 2ywbD1 VAL 140 HB 0.34 0.23 0.17 -0.04 2.12 2.82 2ywbD1 VAL 140 HG13 0.17 -0.01 -0.18 -0.04 0.97 0.91 2ywbD1 VAL 140 HG23 0.40 -0.01 -0.29 -0.04 0.95 1.01 2ywbD1 ALA 141 H 0.08 0.31 -0.03 -0.55 8.40 8.22 2ywbD1 ALA 141 HA -0.09 0.15 0.17 -0.75 4.34 3.82 2ywbD1 ALA 141 HB3 -0.06 0.02 -0.10 -0.04 1.41 1.23 2ywbD1 GLU 142 H -0.01 0.44 0.28 -0.55 8.60 8.76 2ywbD1 GLU 142 HA 0.06 -0.06 0.50 -0.75 4.29 4.04 2ywbD1 GLU 142 HB2 0.02 0.22 0.25 -0.04 2.09 2.54 2ywbD1 GLU 142 HB3 0.03 0.20 -0.26 -0.04 1.99 1.91 2ywbD1 GLU 142 HG2 -0.01 -0.15 -0.13 -0.04 2.34 2.00 2ywbD1 GLU 142 HG3 -0.00 0.04 -0.24 -0.04 2.34 2.10 2ywbD1 THR 143 H 0.04 0.56 0.25 -0.55 8.28 8.58 2ywbD1 THR 143 HA 0.02 0.22 1.06 -0.75 4.39 4.94 2ywbD1 THR 143 HB 0.03 -0.10 0.21 -0.04 4.32 4.43 2ywbD1 THR 143 HG23 0.07 0.03 -0.26 -0.04 1.22 1.02 2ywbD1 GLU 144 H 0.01 0.16 0.19 -0.55 8.60 8.41 2ywbD1 GLU 144 HA 0.00 0.14 0.39 -0.75 4.29 4.06 2ywbD1 GLU 144 HB2 0.00 0.01 0.15 -0.04 2.09 2.22 2ywbD1 GLU 144 HB3 0.00 -0.06 0.12 -0.04 1.99 2.01 2ywbD1 GLU 144 HG2 -0.00 0.03 0.05 -0.04 2.34 2.37 2ywbD1 GLU 144 HG3 -0.00 -0.01 0.01 -0.04 2.34 2.30 2ywbD1 GLU 145 H 0.00 -0.03 -0.07 -0.55 8.60 7.96 2ywbD1 GLU 145 HA -0.02 0.17 0.57 -0.75 4.29 4.26 2ywbD1 GLU 145 HB2 -0.03 -0.04 0.03 -0.04 2.09 2.00 2ywbD1 GLU 145 HB3 -0.05 0.05 -0.01 -0.04 1.99 1.94 2ywbD1 GLU 145 HG2 -0.02 -0.11 0.01 -0.04 2.34 2.17 2ywbD1 GLU 145 HG3 -0.06 0.04 0.01 -0.04 2.34 2.29 2ywbD1 ASN 146 H 0.01 -0.08 -0.23 -0.55 8.53 7.69 2ywbD1 ASN 146 HA 0.01 0.31 0.86 -0.75 4.76 5.18 2ywbD1 ASN 146 HB2 0.03 0.03 -0.08 -0.04 2.88 2.82 2ywbD1 ASN 146 HB3 0.05 -0.14 0.06 -0.04 2.79 2.72 2ywbD1 ASN 146 HD21 0.04 0.01 -0.04 -0.04 7.03 6.99 2ywbD1 ASN 146 HD22 0.05 0.03 -0.07 -0.04 7.74 7.72 2ywbD1 PRO 147 HA 0.01 0.11 0.48 -0.51 4.44 4.53 2ywbD1 PRO 147 HB2 0.01 0.04 0.06 -0.04 2.28 2.34 2ywbD1 PRO 147 HB3 0.00 0.04 0.05 -0.04 2.02 2.07 2ywbD1 PRO 147 HG2 0.00 0.07 -0.01 -0.04 2.03 2.06 2ywbD1 PRO 147 HG3 -0.00 0.04 0.04 -0.04 2.03 2.07 2ywbD1 PRO 147 HD2 0.00 0.07 0.23 -0.04 3.68 3.94 2ywbD1 PRO 147 HD3 0.00 0.28 0.03 -0.04 3.65 3.92 2ywbD1 VAL 148 H 0.02 0.04 -0.50 -0.55 8.24 7.25 2ywbD1 VAL 148 HA 0.04 0.24 0.92 -0.75 4.13 4.58 2ywbD1 VAL 148 HB 0.01 -0.05 0.17 -0.04 2.12 2.21 2ywbD1 VAL 148 HG13 0.02 -0.02 -0.12 -0.04 0.97 0.81 2ywbD1 VAL 148 HG23 0.01 0.04 -0.19 -0.04 0.95 0.76 2ywbD1 ALA 149 H 0.07 0.60 0.21 -0.55 8.40 8.74 2ywbD1 ALA 149 HA 0.09 0.08 0.61 -0.75 4.34 4.37 2ywbD1 ALA 149 HB3 0.18 -0.04 -0.36 -0.04 1.41 1.14 2ywbD1 ALA 150 H 0.10 0.41 0.10 -0.55 8.40 8.46 2ywbD1 ALA 150 HA 0.06 0.19 0.69 -0.75 4.34 4.53 2ywbD1 ALA 150 HB3 0.32 0.01 -0.07 -0.04 1.41 1.63 2ywbD1 ILE 151 H 0.13 0.57 0.38 -0.55 8.25 8.78 2ywbD1 ILE 151 HA 0.17 0.28 1.16 -0.75 4.18 5.03 2ywbD1 ILE 151 HB 0.32 0.08 0.02 -0.04 1.89 2.28 2ywbD1 ILE 151 HG12 0.10 -0.10 0.01 -0.04 1.49 1.46 2ywbD1 ILE 151 HG13 0.36 -0.03 -0.21 -0.04 1.21 1.29 2ywbD1 ILE 151 HG23 0.07 -0.02 -0.29 -0.04 0.93 0.65 2ywbD1 ILE 151 HD13 -0.09 0.02 -0.13 -0.04 0.88 0.64 2ywbD1 ALA 152 H 0.15 0.57 0.35 -0.55 8.40 8.92 2ywbD1 ALA 152 HA -0.40 0.24 0.99 -0.75 4.34 4.42 2ywbD1 ALA 152 HB3 -0.15 0.01 0.03 -0.04 1.41 1.25 2ywbD1 SER 153 H -1.22 0.55 0.25 -0.55 8.46 7.49 2ywbD1 SER 153 HA -2.68 0.16 0.53 -0.75 4.49 1.74 2ywbD1 SER 153 HB2 -1.00 0.05 0.12 -0.04 3.95 3.08 2ywbD1 SER 153 HB3 -2.28 0.07 0.11 -0.04 3.93 1.79 2ywbD1 PRO 154 HA -0.19 0.12 0.49 -0.51 4.44 4.34 2ywbD1 PRO 154 HB2 -0.11 -0.01 0.07 -0.04 2.28 2.18 2ywbD1 PRO 154 HB3 -0.08 0.04 0.12 -0.04 2.02 2.05 2ywbD1 PRO 154 HG2 -0.01 0.03 0.02 -0.04 2.03 2.04 2ywbD1 PRO 154 HG3 -0.08 0.53 -0.07 -0.04 2.03 2.37 2ywbD1 PRO 154 HD2 -0.39 0.07 0.17 -0.04 3.68 3.50 2ywbD1 PRO 154 HD3 -0.94 0.13 0.08 -0.04 3.65 2.88 2ywbD1 ASP 155 H -0.27 0.10 -0.13 -0.55 8.40 7.55 2ywbD1 ASP 155 HA -0.10 0.15 0.46 -0.75 4.63 4.39 2ywbD1 ASP 155 HB2 -0.07 0.09 0.14 -0.04 2.71 2.82 2ywbD1 ASP 155 HB3 -0.09 0.01 0.08 -0.04 2.70 2.67 2ywbD1 GLY 156 H -0.31 0.35 -0.90 -0.55 8.43 7.02 2ywbD1 GLY 156 HA2 -0.34 0.05 0.24 -0.51 4.01 3.45 2ywbD1 GLY 156 HA3 -0.09 0.05 0.29 -0.51 4.01 3.75 2ywbD1 ARG 157 H -0.28 -0.18 -0.56 -0.55 8.46 6.89 2ywbD1 ARG 157 HA 0.00 0.25 0.65 -0.75 4.34 4.48 2ywbD1 ARG 157 HB2 -0.11 -0.11 -0.07 -0.04 1.90 1.57 2ywbD1 ARG 157 HB3 -0.05 -0.03 -0.17 -0.04 1.80 1.52 2ywbD1 ARG 157 HG2 0.00 0.03 -0.14 -0.04 1.67 1.52 2ywbD1 ARG 157 HG3 0.02 0.03 -0.12 -0.04 1.67 1.56 2ywbD1 ARG 157 HD2 -0.01 0.06 -0.07 -0.04 3.22 3.16 2ywbD1 ARG 157 HD3 -0.04 -0.03 -0.04 -0.04 3.22 3.08 2ywbD1 ALA 158 H -0.43 -0.09 0.09 -0.55 8.40 7.42 2ywbD1 ALA 158 HA 0.06 0.32 1.14 -0.75 4.34 5.11 2ywbD1 ALA 158 HB3 -0.04 -0.00 0.01 -0.04 1.41 1.34 2ywbD1 TYR 159 H 0.09 0.50 0.28 -0.55 8.29 8.61 2ywbD1 TYR 159 HA -0.00 0.21 1.00 -0.75 4.56 5.01 2ywbD1 TYR 159 HB2 -0.17 0.04 0.13 -0.04 3.06 3.02 2ywbD1 TYR 159 HB3 -0.09 -0.02 0.10 -0.04 2.98 2.92 2ywbD1 TYR 159 HD2 0.06 0.08 -0.12 -0.04 7.15 7.13 2ywbD1 TYR 159 HE2 0.02 0.07 -0.10 -0.04 6.85 6.80 2ywbD1 GLY 160 H 0.16 0.70 0.45 -0.55 8.43 9.19 2ywbD1 GLY 160 HA2 -0.05 0.25 1.03 -0.51 4.01 4.73 2ywbD1 GLY 160 HA3 0.02 -0.02 0.37 -0.51 4.01 3.87 2ywbD1 VAL 161 H -0.18 0.57 0.44 -0.55 8.24 8.52 2ywbD1 VAL 161 HA -0.24 0.27 1.07 -0.75 4.13 4.48 2ywbD1 VAL 161 HB -1.65 -0.06 0.10 -0.04 2.12 0.47 2ywbD1 VAL 161 HG13 -0.19 0.01 -0.17 -0.04 0.97 0.58 2ywbD1 VAL 161 HG23 -0.39 0.03 0.12 -0.04 0.95 0.67 2ywbD1 GLN 162 H -0.21 0.90 0.31 -0.55 8.47 8.93 2ywbD1 GLN 162 HA -0.11 0.01 0.77 -0.75 4.36 4.27 2ywbD1 GLN 162 HB2 -0.01 0.07 0.12 -0.04 2.15 2.28 2ywbD1 GLN 162 HB3 0.06 -0.02 0.21 -0.04 2.02 2.23 2ywbD1 GLN 162 HG2 0.05 0.01 0.10 -0.04 2.40 2.51 2ywbD1 GLN 162 HG3 0.06 -0.06 0.29 -0.04 2.39 2.64 2ywbD1 GLN 162 HE21 0.02 -0.00 -0.08 -0.04 6.97 6.87 2ywbD1 GLN 162 HE22 0.05 -0.01 0.10 -0.04 7.69 7.79 2ywbD1 PHE 163 H -0.64 0.20 -0.44 -0.55 8.34 6.90 2ywbD1 PHE 163 HA -0.01 0.17 0.74 -0.75 4.62 4.77 2ywbD1 PHE 163 HB2 0.10 -0.09 -0.22 -0.04 3.15 2.91 2ywbD1 PHE 163 HB3 0.06 0.03 -0.32 -0.04 3.06 2.79 2ywbD1 PHE 163 HD2 0.07 -0.03 -0.45 -0.04 7.28 6.83 2ywbD1 PHE 163 HE2 0.12 0.03 -0.14 -0.04 7.38 7.35 2ywbD1 PHE 163 HZ 0.29 0.09 -0.11 -0.04 7.32 7.55 2ywbD1 HIS 164 H 0.41 0.61 0.19 -0.55 8.41 9.08 2ywbD1 HIS 164 HA 0.10 0.22 0.95 -0.75 4.63 5.15 2ywbD1 HIS 164 HB2 0.16 0.06 0.21 -0.04 3.26 3.65 2ywbD1 HIS 164 HB3 -0.08 -0.13 0.05 -0.04 3.20 3.00 2ywbD1 HIS 164 HD2 -0.12 0.21 -0.09 -0.04 6.97 6.92 2ywbD1 HIS 164 HE1 0.23 -0.13 -0.01 -0.04 7.75 7.79 2ywbD1 PRO 165 HA 0.16 0.12 0.56 -0.51 4.44 4.77 2ywbD1 PRO 165 HB2 0.09 0.18 0.07 -0.04 2.28 2.58 2ywbD1 PRO 165 HB3 0.31 0.03 0.04 -0.04 2.02 2.36 2ywbD1 PRO 165 HG2 0.04 0.03 -0.03 -0.04 2.03 2.02 2ywbD1 PRO 165 HG3 -0.01 0.10 -0.01 -0.04 2.03 2.07 2ywbD1 PRO 165 HD2 0.03 0.01 0.27 -0.04 3.68 3.94 2ywbD1 PRO 165 HD3 0.03 0.34 0.11 -0.04 3.65 4.08 2ywbD1 GLU 166 H 0.08 0.00 -0.25 -0.55 8.60 7.88 2ywbD1 GLU 166 HA 0.00 0.22 0.45 -0.75 4.29 4.20 2ywbD1 GLU 166 HB2 0.02 0.06 -0.11 -0.04 2.09 2.01 2ywbD1 GLU 166 HB3 0.04 0.02 -0.02 -0.04 1.99 1.99 2ywbD1 GLU 166 HG2 -0.09 0.02 -0.34 -0.04 2.34 1.89 2ywbD1 GLU 166 HG3 0.08 0.04 -0.11 -0.04 2.34 2.31 2ywbD1 VAL 167 H -0.06 0.15 -0.38 -0.55 8.24 7.40 2ywbD1 VAL 167 HA -0.23 0.24 0.83 -0.75 4.13 4.21 2ywbD1 VAL 167 HB -0.54 -0.06 0.06 -0.04 2.12 1.54 2ywbD1 VAL 167 HG13 -0.91 -0.01 -0.07 -0.04 0.97 -0.06 2ywbD1 VAL 167 HG23 -0.26 0.03 -0.08 -0.04 0.95 0.60 2ywbD1 ALA 168 H -0.32 0.16 0.11 -0.55 8.40 7.81 2ywbD1 ALA 168 HA -0.19 0.18 0.25 -0.75 4.34 3.83 2ywbD1 ALA 168 HB3 -0.35 0.02 0.06 -0.04 1.41 1.09 2ywbD1 HIS 169 H -0.59 0.02 -0.32 -0.55 8.41 6.98 2ywbD1 HIS 169 HA -0.21 0.08 0.31 -0.75 4.63 4.05 2ywbD1 HIS 169 HB2 -0.87 -0.03 -0.06 -0.04 3.26 2.26 2ywbD1 HIS 169 HB3 -0.21 0.01 -0.01 -0.04 3.20 2.95 2ywbD1 HIS 169 HD2 -1.49 -0.02 -0.03 -0.04 6.97 5.39 2ywbD1 HIS 169 HE1 -0.25 0.03 -0.04 -0.04 7.75 7.45 2ywbD1 THR 170 H -0.09 0.43 -0.89 -0.55 8.28 7.18 2ywbD1 THR 170 HA -0.01 0.33 0.73 -0.75 4.39 4.69 2ywbD1 THR 170 HB 0.02 0.17 0.26 -0.04 4.32 4.73 2ywbD1 THR 170 HG23 -0.08 -0.02 -0.01 -0.04 1.22 1.07 2ywbD1 PRO 171 HA -0.07 0.09 0.47 -0.51 4.44 4.41 2ywbD1 PRO 171 HB2 -0.04 0.02 0.02 -0.04 2.28 2.24 2ywbD1 PRO 171 HB3 -0.06 0.03 0.13 -0.04 2.02 2.08 2ywbD1 PRO 171 HG2 -0.04 -0.05 0.12 -0.04 2.03 2.02 2ywbD1 PRO 171 HG3 -0.03 0.00 0.07 -0.04 2.03 2.03 2ywbD1 PRO 171 HD2 -0.02 0.28 0.05 -0.04 3.68 3.95 2ywbD1 PRO 171 HD3 -0.03 0.14 -0.17 -0.04 3.65 3.54 2ywbD1 LYS 172 H -0.05 0.18 -0.21 -0.55 8.42 7.79 2ywbD1 LYS 172 HA -0.03 0.15 0.72 -0.75 4.32 4.41 2ywbD1 LYS 172 HB2 -0.05 0.03 0.04 -0.04 1.87 1.85 2ywbD1 LYS 172 HB3 -0.02 0.01 0.14 -0.04 1.79 1.87 2ywbD1 LYS 172 HG2 -0.03 0.02 -0.01 -0.04 1.46 1.41 2ywbD1 LYS 172 HG3 -0.04 -0.08 -0.04 -0.04 1.46 1.26 2ywbD1 LYS 172 HD2 -0.06 0.01 0.06 -0.04 1.69 1.66 2ywbD1 LYS 172 HD3 -0.04 0.01 0.01 -0.04 1.68 1.62 2ywbD1 LYS 172 HE2 -0.02 -0.05 0.01 -0.04 2.99 2.90 2ywbD1 LYS 172 HE3 -0.03 -0.08 0.04 -0.04 2.99 2.88 2ywbD1 GLY 173 H -0.03 0.73 -0.42 -0.55 8.43 8.16 2ywbD1 GLY 173 HA2 0.04 -0.05 0.41 -0.51 4.01 3.89 2ywbD1 GLY 173 HA3 0.02 0.32 0.44 -0.51 4.01 4.28 2ywbD1 MET 174 H -0.02 0.23 -0.19 -0.55 8.47 7.95 2ywbD1 MET 174 HA 0.00 0.08 0.39 -0.75 4.52 4.24 2ywbD1 MET 174 HB2 -0.02 0.05 0.10 -0.04 2.15 2.24 2ywbD1 MET 174 HB3 -0.01 0.02 -0.03 -0.04 2.03 1.97 2ywbD1 MET 174 HG2 -0.01 0.01 -0.02 -0.04 2.63 2.57 2ywbD1 MET 174 HG3 -0.00 0.02 -0.04 -0.04 2.56 2.50 2ywbD1 MET 174 HE3 -0.00 0.03 -0.00 -0.04 2.10 2.09 2ywbD1 GLN 175 H -0.01 0.16 -0.29 -0.55 8.47 7.78 2ywbD1 GLN 175 HA -0.01 0.07 0.40 -0.75 4.36 4.06 2ywbD1 GLN 175 HB2 -0.01 -0.06 0.06 -0.04 2.15 2.10 2ywbD1 GLN 175 HB3 -0.01 0.15 0.05 -0.04 2.02 2.17 2ywbD1 GLN 175 HG2 -0.00 -0.01 -0.07 -0.04 2.40 2.28 2ywbD1 GLN 175 HG3 -0.01 0.12 -0.12 -0.04 2.39 2.34 2ywbD1 GLN 175 HE21 -0.01 -0.01 -0.04 -0.04 6.97 6.87 2ywbD1 GLN 175 HE22 -0.01 0.08 -0.00 -0.04 7.69 7.71 2ywbD1 ILE 176 H -0.00 0.25 -0.37 -0.55 8.25 7.58 2ywbD1 ILE 176 HA -0.09 0.24 0.53 -0.75 4.18 4.11 2ywbD1 ILE 176 HB 0.03 0.08 0.17 -0.04 1.89 2.13 2ywbD1 ILE 176 HG12 -0.10 0.14 0.02 -0.04 1.49 1.52 2ywbD1 ILE 176 HG13 0.01 0.10 -0.00 -0.04 1.21 1.27 2ywbD1 ILE 176 HG23 -0.10 -0.00 -0.13 -0.04 0.93 0.66 2ywbD1 ILE 176 HD13 0.19 -0.05 -0.10 -0.04 0.88 0.89 2ywbD1 LEU 177 H 0.01 0.53 -0.07 -0.55 8.37 8.29 2ywbD1 LEU 177 HA 0.06 -0.01 0.36 -0.75 4.35 4.00 2ywbD1 LEU 177 HB2 0.02 0.15 0.08 -0.04 1.64 1.84 2ywbD1 LEU 177 HB3 0.05 -0.01 -0.06 -0.04 1.64 1.58 2ywbD1 LEU 177 HG 0.02 0.11 -0.03 -0.04 1.64 1.71 2ywbD1 LEU 177 HD13 0.02 -0.03 -0.18 -0.04 0.93 0.69 2ywbD1 LEU 177 HD23 0.01 -0.03 -0.08 -0.04 0.89 0.75 2ywbD1 GLU 178 H 0.00 0.35 -0.46 -0.55 8.60 7.95 2ywbD1 GLU 178 HA 0.01 0.06 0.46 -0.75 4.29 4.07 2ywbD1 GLU 178 HB2 0.00 0.02 0.06 -0.04 2.09 2.12 2ywbD1 GLU 178 HB3 -0.01 0.08 0.15 -0.04 1.99 2.17 2ywbD1 GLU 178 HG2 -0.01 -0.05 -0.04 -0.04 2.34 2.20 2ywbD1 GLU 178 HG3 -0.01 0.01 -0.29 -0.04 2.34 2.01 2ywbD1 ASN 179 H -0.02 0.49 -0.17 -0.55 8.53 8.28 2ywbD1 ASN 179 HA -0.04 -0.01 0.43 -0.75 4.76 4.38 2ywbD1 ASN 179 HB2 -0.11 0.16 0.25 -0.04 2.88 3.14 2ywbD1 ASN 179 HB3 -0.10 0.11 0.14 -0.04 2.79 2.90 2ywbD1 ASN 179 HD21 -0.02 0.22 -0.14 -0.04 7.03 7.05 2ywbD1 ASN 179 HD22 -0.10 0.21 -0.08 -0.04 7.74 7.72 2ywbD1 PHE 180 H 0.07 0.41 -0.33 -0.55 8.34 7.93 2ywbD1 PHE 180 HA -0.20 0.03 0.43 -0.75 4.62 4.12 2ywbD1 PHE 180 HB2 -0.18 -0.02 0.04 -0.04 3.15 2.94 2ywbD1 PHE 180 HB3 -0.09 0.13 0.10 -0.04 3.06 3.17 2ywbD1 PHE 180 HD2 -0.10 0.00 -0.09 -0.04 7.28 7.06 2ywbD1 PHE 180 HE2 0.07 0.05 -0.19 -0.04 7.38 7.27 2ywbD1 PHE 180 HZ 0.05 0.02 -0.43 -0.04 7.32 6.93 2ywbD1 LEU 181 H -0.01 0.49 -0.12 -0.55 8.37 8.19 2ywbD1 LEU 181 HA -0.34 0.00 0.30 -0.75 4.35 3.57 2ywbD1 LEU 181 HB2 -0.04 0.09 0.10 -0.04 1.64 1.75 2ywbD1 LEU 181 HB3 -0.07 0.03 -0.04 -0.04 1.64 1.52 2ywbD1 LEU 181 HG 0.04 0.23 0.06 -0.04 1.64 1.93 2ywbD1 LEU 181 HD13 0.01 -0.01 -0.06 -0.04 0.93 0.83 2ywbD1 LEU 181 HD23 -0.03 -0.03 -0.10 -0.04 0.89 0.69 2ywbD1 GLU 182 H -0.08 0.47 -0.37 -0.55 8.60 8.07 2ywbD1 GLU 182 HA -0.06 0.05 0.43 -0.75 4.29 3.96 2ywbD1 GLU 182 HB2 -0.05 0.10 0.16 -0.04 2.09 2.27 2ywbD1 GLU 182 HB3 -0.04 -0.08 -0.00 -0.04 1.99 1.83 2ywbD1 GLU 182 HG2 -0.03 -0.05 0.02 -0.04 2.34 2.24 2ywbD1 GLU 182 HG3 -0.03 0.08 0.01 -0.04 2.34 2.36 2ywbD1 LEU 183 H -0.13 0.46 -0.17 -0.55 8.37 7.98 2ywbD1 LEU 183 HA -0.05 -0.03 0.48 -0.75 4.35 4.00 2ywbD1 LEU 183 HB2 -0.11 0.07 0.23 -0.04 1.64 1.79 2ywbD1 LEU 183 HB3 0.02 0.01 0.04 -0.04 1.64 1.67 2ywbD1 LEU 183 HG -0.09 0.42 0.08 -0.04 1.64 2.01 2ywbD1 LEU 183 HD13 -0.19 -0.07 -0.19 -0.04 0.93 0.44 2ywbD1 LEU 183 HD23 -0.00 -0.05 0.02 -0.04 0.89 0.82 2ywbD1 ALA 184 H -0.37 0.74 0.03 -0.55 8.40 8.25 2ywbD1 ALA 184 HA -0.13 0.04 0.46 -0.75 4.34 3.95 2ywbD1 ALA 184 HB3 -0.50 0.00 0.09 -0.04 1.41 0.96 2ywbD1 GLY 185 H -0.11 0.17 -1.24 -0.55 8.43 6.71 2ywbD1 GLY 185 HA2 -0.06 0.02 0.26 -0.51 4.01 3.73 2ywbD1 GLY 185 HA3 -0.05 -0.07 0.33 -0.51 4.01 3.71 2ywbD1 VAL 186 H -0.12 0.51 -0.19 -0.55 8.24 7.90 2ywbD1 VAL 186 HA -0.04 0.06 0.47 -0.75 4.13 3.86 2ywbD1 VAL 186 HB -0.08 -0.06 0.02 -0.04 2.12 1.96 2ywbD1 VAL 186 HG13 -0.01 0.02 -0.18 -0.04 0.97 0.76 2ywbD1 VAL 186 HG23 -0.14 -0.02 -0.16 -0.04 0.95 0.59 2ywbD1 LYS 187 H 0.00 0.14 0.21 -0.55 8.42 8.22 2ywbD1 LYS 187 HA 0.00 0.09 0.59 -0.75 4.32 4.25 2ywbD1 LYS 187 HB2 0.02 0.03 0.15 -0.04 1.87 2.03 2ywbD1 LYS 187 HB3 0.02 -0.08 -0.01 -0.04 1.79 1.69 2ywbD1 LYS 187 HG2 0.00 0.17 0.04 -0.04 1.46 1.63 2ywbD1 LYS 187 HG3 0.01 -0.04 0.04 -0.04 1.46 1.44 2ywbD1 LYS 187 HD2 0.01 -0.07 0.01 -0.04 1.69 1.60 2ywbD1 LYS 187 HD3 0.00 0.05 0.00 -0.04 1.68 1.69 2ywbD1 LYS 187 HE2 0.01 -0.04 0.01 -0.04 2.99 2.93 2ywbD1 LYS 187 HE3 0.00 -0.07 -0.00 -0.04 2.99 2.88 2ywbD1 ARG 188 H 0.02 0.11 0.08 -0.55 8.46 8.12 2ywbD1 ARG 188 HA 0.06 0.33 0.86 -0.75 4.34 4.84 2ywbD1 ARG 188 HB2 0.03 -0.13 0.25 -0.04 1.90 2.01 2ywbD1 ARG 188 HB3 0.05 0.07 0.19 -0.04 1.80 2.08 2ywbD1 ARG 188 HG2 0.01 -0.06 0.03 -0.04 1.67 1.62 2ywbD1 ARG 188 HG3 0.02 -0.05 0.01 -0.04 1.67 1.62 2ywbD1 ARG 188 HD2 0.03 0.28 -0.12 -0.04 3.22 3.37 2ywbD1 ARG 188 HD3 0.02 -0.00 -0.75 -0.04 3.22 2.45 2ywbD1 ASP 189 H 0.07 0.33 -0.01 -0.55 8.40 8.24 2ywbD1 ASP 189 HA 0.00 0.12 0.69 -0.75 4.63 4.68 2ywbD1 ASP 189 HB2 0.01 0.06 0.05 -0.04 2.71 2.79 2ywbD1 ASP 189 HB3 -0.11 -0.06 0.13 -0.04 2.70 2.62 2ywbD1 TRP 190 H 0.24 0.44 -0.16 -0.55 7.97 7.94 2ywbD1 TRP 190 HA -0.11 0.08 0.62 -0.75 4.62 4.45 2ywbD1 TRP 190 HB2 0.09 -0.12 -0.14 -0.04 3.23 3.02 2ywbD1 TRP 190 HB3 0.03 0.03 -0.50 -0.04 3.23 2.75 2ywbD1 TRP 190 HD1 0.05 0.15 -0.03 -0.04 7.22 7.35 2ywbD1 TRP 190 HE1 0.10 -0.09 -0.05 -0.04 10.20 10.12 2ywbD1 TRP 190 HE3 -0.11 0.04 -0.04 -0.04 7.59 7.43 2ywbD1 TRP 190 HZ2 0.12 -0.11 -0.01 -0.04 7.44 7.40 2ywbD1 TRP 190 HZ3 -0.34 0.02 -0.03 -0.04 7.13 6.75 2ywbD1 TRP 190 HH2 0.05 -0.01 -0.07 -0.04 7.19 7.13 2ywbD1 THR 191 H -0.23 0.37 0.15 -0.55 8.28 8.02 2ywbD1 THR 191 HA -0.20 0.25 0.80 -0.75 4.39 4.49 2ywbD1 THR 191 HB -0.08 -0.04 0.09 -0.04 4.32 4.24 2ywbD1 THR 191 HG23 -0.02 0.04 -0.23 -0.04 1.22 0.97 2ywbD1 PRO 192 HA -0.31 0.05 0.43 -0.51 4.44 4.10 2ywbD1 PRO 192 HB2 -0.12 0.08 -0.06 -0.04 2.28 2.14 2ywbD1 PRO 192 HB3 -0.16 0.03 0.03 -0.04 2.02 1.89 2ywbD1 PRO 192 HG2 -0.09 -0.04 0.10 -0.04 2.03 1.96 2ywbD1 PRO 192 HG3 -0.09 0.10 0.06 -0.04 2.03 2.06 2ywbD1 PRO 192 HD2 -0.12 0.14 0.22 -0.04 3.68 3.88 2ywbD1 PRO 192 HD3 -0.17 0.19 0.16 -0.04 3.65 3.79 2ywbD1 GLU 193 H -0.08 0.15 -0.12 -0.55 8.60 8.00 2ywbD1 GLU 193 HA -0.06 0.11 0.38 -0.75 4.29 3.97 2ywbD1 GLU 193 HB2 -0.02 0.03 -0.00 -0.04 2.09 2.05 2ywbD1 GLU 193 HB3 -0.04 0.06 0.06 -0.04 1.99 2.03 2ywbD1 GLU 193 HG2 -0.03 0.06 0.03 -0.04 2.34 2.36 2ywbD1 GLU 193 HG3 -0.05 -0.00 0.06 -0.04 2.34 2.31 2ywbD1 HIS 194 H 0.02 0.10 -0.15 -0.55 8.41 7.83 2ywbD1 HIS 194 HA -0.06 0.04 0.38 -0.75 4.63 4.24 2ywbD1 HIS 194 HB2 -0.06 -0.01 0.15 -0.04 3.26 3.30 2ywbD1 HIS 194 HB3 -0.13 0.10 0.23 -0.04 3.20 3.35 2ywbD1 HIS 194 HD2 -0.00 -0.02 0.06 -0.04 6.97 6.96 2ywbD1 HIS 194 HE1 -0.01 -0.02 -0.05 -0.04 7.75 7.62 2ywbD1 VAL 195 H -0.11 0.41 -0.11 -0.55 8.24 7.88 2ywbD1 VAL 195 HA 0.04 0.02 0.38 -0.75 4.13 3.83 2ywbD1 VAL 195 HB -0.32 0.06 0.11 -0.04 2.12 1.93 2ywbD1 VAL 195 HG13 -0.10 -0.02 -0.13 -0.04 0.97 0.68 2ywbD1 VAL 195 HG23 -1.00 0.04 -0.01 -0.04 0.95 -0.05 2ywbD1 LEU 196 H -0.09 0.64 -0.07 -0.55 8.37 8.30 2ywbD1 LEU 196 HA -0.01 -0.04 0.38 -0.75 4.35 3.93 2ywbD1 LEU 196 HB2 -0.05 -0.03 0.11 -0.04 1.64 1.63 2ywbD1 LEU 196 HB3 -0.05 0.10 0.16 -0.04 1.64 1.81 2ywbD1 LEU 196 HG -0.02 0.01 -0.24 -0.04 1.64 1.34 2ywbD1 LEU 196 HD13 0.01 -0.02 -0.01 -0.04 0.93 0.86 2ywbD1 LEU 196 HD23 -0.03 0.00 -0.09 -0.04 0.89 0.74 2ywbD1 GLU 197 H -0.07 0.65 -0.09 -0.55 8.60 8.55 2ywbD1 GLU 197 HA -0.05 0.02 0.39 -0.75 4.29 3.89 2ywbD1 GLU 197 HB2 -0.15 0.13 0.15 -0.04 2.09 2.18 2ywbD1 GLU 197 HB3 -0.10 -0.06 0.04 -0.04 1.99 1.84 2ywbD1 GLU 197 HG2 -0.06 -0.03 0.03 -0.04 2.34 2.24 2ywbD1 GLU 197 HG3 -0.07 0.29 0.06 -0.04 2.34 2.59 2ywbD1 GLU 198 H -0.09 0.47 -0.26 -0.55 8.60 8.17 2ywbD1 GLU 198 HA -0.07 0.01 0.47 -0.75 4.29 3.94 2ywbD1 GLU 198 HB2 -0.07 0.10 0.16 -0.04 2.09 2.24 2ywbD1 GLU 198 HB3 0.00 0.07 0.27 -0.04 1.99 2.29 2ywbD1 GLU 198 HG2 0.03 -0.01 0.01 -0.04 2.34 2.33 2ywbD1 GLU 198 HG3 -0.01 -0.07 -0.08 -0.04 2.34 2.15 2ywbD1 LEU 199 H 0.00 0.64 0.12 -0.55 8.37 8.59 2ywbD1 LEU 199 HA 0.00 -0.07 0.36 -0.75 4.35 3.89 2ywbD1 LEU 199 HB2 0.05 0.11 0.09 -0.04 1.64 1.85 2ywbD1 LEU 199 HB3 0.06 -0.08 0.00 -0.04 1.64 1.58 2ywbD1 LEU 199 HG 0.06 0.20 0.09 -0.04 1.64 1.95 2ywbD1 LEU 199 HD13 0.25 -0.04 -0.11 -0.04 0.93 1.00 2ywbD1 LEU 199 HD23 0.09 -0.04 0.06 -0.04 0.89 0.96 2ywbD1 LEU 200 H -0.02 0.65 -0.28 -0.55 8.37 8.17 2ywbD1 LEU 200 HA -0.02 0.02 0.40 -0.75 4.35 4.00 2ywbD1 LEU 200 HB2 -0.03 0.08 0.10 -0.04 1.64 1.75 2ywbD1 LEU 200 HB3 -0.02 -0.00 -0.03 -0.04 1.64 1.55 2ywbD1 LEU 200 HG -0.01 0.09 0.00 -0.04 1.64 1.68 2ywbD1 LEU 200 HD13 -0.02 -0.02 -0.09 -0.04 0.93 0.76 2ywbD1 LEU 200 HD23 -0.01 -0.01 -0.09 -0.04 0.89 0.74 2ywbD1 ARG 201 H -0.03 0.46 -0.17 -0.55 8.46 8.16 2ywbD1 ARG 201 HA -0.03 0.01 0.47 -0.75 4.34 4.04 2ywbD1 ARG 201 HB2 -0.04 0.19 0.28 -0.04 1.90 2.28 2ywbD1 ARG 201 HB3 -0.03 0.06 0.29 -0.04 1.80 2.08 2ywbD1 ARG 201 HG2 -0.03 -0.06 -0.05 -0.04 1.67 1.50 2ywbD1 ARG 201 HG3 -0.03 -0.04 0.08 -0.04 1.67 1.64 2ywbD1 ARG 201 HD2 -0.04 -0.02 0.04 -0.04 3.22 3.16 2ywbD1 ARG 201 HD3 -0.03 -0.06 0.02 -0.04 3.22 3.11 2ywbD1 GLU 202 H -0.03 0.64 0.05 -0.55 8.60 8.72 2ywbD1 GLU 202 HA -0.03 -0.02 0.35 -0.75 4.29 3.84 2ywbD1 GLU 202 HB2 -0.02 0.04 0.10 -0.04 2.09 2.16 2ywbD1 GLU 202 HB3 -0.03 -0.05 -0.05 -0.04 1.99 1.82 2ywbD1 GLU 202 HG2 -0.01 -0.03 0.01 -0.04 2.34 2.26 2ywbD1 GLU 202 HG3 -0.02 0.08 0.01 -0.04 2.34 2.37 2ywbD1 VAL 203 H -0.05 0.68 -0.06 -0.55 8.24 8.26 2ywbD1 VAL 203 HA -0.13 -0.08 0.41 -0.75 4.13 3.58 2ywbD1 VAL 203 HB -0.06 0.16 0.08 -0.04 2.12 2.25 2ywbD1 VAL 203 HG13 -0.10 -0.02 -0.13 -0.04 0.97 0.68 2ywbD1 VAL 203 HG23 -0.10 -0.01 0.02 -0.04 0.95 0.81 2ywbD1 ARG 204 H -0.05 0.47 -0.30 -0.55 8.46 8.03 2ywbD1 ARG 204 HA -0.03 0.03 0.42 -0.75 4.34 4.01 2ywbD1 ARG 204 HB2 -0.03 0.15 0.31 -0.04 1.90 2.29 2ywbD1 ARG 204 HB3 -0.02 -0.10 0.04 -0.04 1.80 1.68 2ywbD1 ARG 204 HG2 -0.01 0.11 0.12 -0.04 1.67 1.85 2ywbD1 ARG 204 HG3 -0.02 -0.06 0.16 -0.04 1.67 1.71 2ywbD1 ARG 204 HD2 -0.02 -0.01 -0.04 -0.04 3.22 3.11 2ywbD1 ARG 204 HD3 -0.01 -0.10 0.05 -0.04 3.22 3.11 2ywbD1 GLU 205 H -0.03 0.63 0.05 -0.55 8.60 8.70 2ywbD1 GLU 205 HA -0.01 -0.01 0.39 -0.75 4.29 3.91 2ywbD1 GLU 205 HB2 -0.02 0.04 0.13 -0.04 2.09 2.20 2ywbD1 GLU 205 HB3 -0.01 -0.06 -0.01 -0.04 1.99 1.87 2ywbD1 GLU 205 HG2 -0.01 -0.05 0.04 -0.04 2.34 2.29 2ywbD1 GLU 205 HG3 -0.02 0.16 0.07 -0.04 2.34 2.51 2ywbD1 ARG 206 H -0.07 0.58 -0.08 -0.55 8.46 8.34 2ywbD1 ARG 206 HA -0.02 -0.03 0.36 -0.75 4.34 3.89 2ywbD1 ARG 206 HB2 -0.09 0.02 0.10 -0.04 1.90 1.89 2ywbD1 ARG 206 HB3 -0.23 0.01 0.13 -0.04 1.80 1.67 2ywbD1 ARG 206 HG2 -0.19 -0.07 -0.06 -0.04 1.67 1.31 2ywbD1 ARG 206 HG3 -0.41 0.02 -0.22 -0.04 1.67 1.01 2ywbD1 ARG 206 HD2 0.03 0.01 0.03 -0.04 3.22 3.25 2ywbD1 ARG 206 HD3 -0.01 -0.03 -0.01 -0.04 3.22 3.13 2ywbD1 ALA 207 H -0.22 0.55 -0.04 -0.55 8.40 8.14 2ywbD1 ALA 207 HA -0.34 -0.03 0.42 -0.75 4.34 3.63 2ywbD1 ALA 207 HB3 -0.19 0.01 -0.04 -0.04 1.41 1.15 2ywbD1 GLY 208 H -0.02 0.51 -0.23 -0.55 8.43 8.15 2ywbD1 GLY 208 HA2 0.02 0.09 0.35 -0.51 4.01 3.97 2ywbD1 GLY 208 HA3 0.06 -0.11 0.37 -0.51 4.01 3.82 2ywbD1 LYS 209 H 0.06 0.04 0.25 -0.55 8.42 8.21 2ywbD1 LYS 209 HA 0.05 0.15 0.64 -0.75 4.32 4.40 2ywbD1 LYS 209 HB2 0.04 -0.03 0.08 -0.04 1.87 1.91 2ywbD1 LYS 209 HB3 0.03 -0.01 0.16 -0.04 1.79 1.93 2ywbD1 LYS 209 HG2 0.03 -0.03 0.12 -0.04 1.46 1.54 2ywbD1 LYS 209 HG3 0.02 -0.05 0.06 -0.04 1.46 1.45 2ywbD1 LYS 209 HD2 0.03 0.11 -0.16 -0.04 1.69 1.63 2ywbD1 LYS 209 HD3 0.02 -0.03 -0.02 -0.04 1.68 1.61 2ywbD1 LYS 209 HE2 0.02 0.01 0.00 -0.04 2.99 2.98 2ywbD1 LYS 209 HE3 0.02 -0.06 0.02 -0.04 2.99 2.92 2ywbD1 ASP 210 H 0.13 0.34 0.00 -0.55 8.40 8.32 2ywbD1 ASP 210 HA 0.08 -0.04 0.35 -0.75 4.63 4.27 2ywbD1 ASP 210 HB2 0.39 0.22 0.10 -0.04 2.71 3.39 2ywbD1 ASP 210 HB3 0.16 -0.20 0.21 -0.04 2.70 2.84 2ywbD1 ARG 211 H 0.13 -0.05 0.25 -0.55 8.46 8.24 2ywbD1 ARG 211 HA 0.18 0.34 0.85 -0.75 4.34 4.96 2ywbD1 ARG 211 HB2 0.07 -0.16 0.28 -0.04 1.90 2.04 2ywbD1 ARG 211 HB3 0.32 0.03 0.00 -0.04 1.80 2.11 2ywbD1 ARG 211 HG2 0.02 -0.00 -0.06 -0.04 1.67 1.59 2ywbD1 ARG 211 HG3 -0.12 0.09 0.05 -0.04 1.67 1.65 2ywbD1 ARG 211 HD2 0.13 0.01 -0.12 -0.04 3.22 3.20 2ywbD1 ARG 211 HD3 0.00 -0.03 -0.04 -0.04 3.22 3.12 2ywbD1 VAL 212 H 0.26 0.72 0.34 -0.55 8.24 9.00 2ywbD1 VAL 212 HA 0.30 0.10 1.00 -0.75 4.13 4.78 2ywbD1 VAL 212 HB 0.09 -0.07 -0.10 -0.04 2.12 2.00 2ywbD1 VAL 212 HG13 0.11 0.02 -0.23 -0.04 0.97 0.83 2ywbD1 VAL 212 HG23 0.14 0.12 -0.06 -0.04 0.95 1.11 2ywbD1 LEU 213 H 0.04 0.66 0.26 -0.55 8.37 8.78 2ywbD1 LEU 213 HA -0.34 0.23 0.95 -0.75 4.35 4.43 2ywbD1 LEU 213 HB2 -1.23 0.03 0.03 -0.04 1.64 0.43 2ywbD1 LEU 213 HB3 -0.43 0.04 0.17 -0.04 1.64 1.38 2ywbD1 LEU 213 HG -0.27 -0.10 -0.05 -0.04 1.64 1.18 2ywbD1 LEU 213 HD13 -0.96 0.07 0.03 -0.04 0.93 0.02 2ywbD1 LEU 213 HD23 -0.82 -0.01 -0.06 -0.04 0.89 -0.03 2ywbD1 LEU 214 H -0.04 0.45 0.30 -0.55 8.37 8.54 2ywbD1 LEU 214 HA 0.06 0.07 0.51 -0.75 4.35 4.23 2ywbD1 LEU 214 HB2 -0.00 0.09 0.13 -0.04 1.64 1.82 2ywbD1 LEU 214 HB3 -0.00 0.11 -0.19 -0.04 1.64 1.51 2ywbD1 LEU 214 HG -0.01 0.02 -0.25 -0.04 1.64 1.36 2ywbD1 LEU 214 HD13 0.07 0.00 -0.17 -0.04 0.93 0.79 2ywbD1 LEU 214 HD23 0.04 -0.04 -0.50 -0.04 0.89 0.35 2ywbD1 ALA 215 H -0.02 0.18 0.21 -0.55 8.40 8.23 2ywbD1 ALA 215 HA 0.15 0.22 1.03 -0.75 4.34 4.99 2ywbD1 ALA 215 HB3 -0.28 -0.01 0.10 -0.04 1.41 1.18 2ywbD1 VAL 216 H 0.13 0.65 0.19 -0.55 8.24 8.66 2ywbD1 VAL 216 HA 0.08 0.06 0.83 -0.75 4.13 4.36 2ywbD1 VAL 216 HB 0.19 -0.08 -0.17 -0.04 2.12 2.02 2ywbD1 VAL 216 HG13 0.09 0.05 -0.28 -0.04 0.97 0.79 2ywbD1 VAL 216 HG23 0.32 0.01 -0.25 -0.04 0.95 0.98 2ywbD1 SER 217 H 0.07 0.05 0.12 -0.55 8.46 8.16 2ywbD1 SER 217 HA -0.23 0.25 0.87 -0.75 4.49 4.63 2ywbD1 SER 217 HB2 -0.05 0.09 0.10 -0.04 3.95 4.05 2ywbD1 SER 217 HB3 -0.11 0.06 -0.00 -0.04 3.93 3.84 2ywbD1 GLY 218 H 0.19 0.08 -0.04 -0.55 8.43 8.11 2ywbD1 GLY 218 HA2 0.16 0.06 0.24 -0.51 4.01 3.95 2ywbD1 GLY 218 HA3 0.19 0.22 0.81 -0.51 4.01 4.72 2ywbD1 GLY 219 H 0.10 -0.08 -0.18 -0.55 8.43 7.72 2ywbD1 GLY 219 HA2 0.08 0.24 0.45 -0.51 4.01 4.27 2ywbD1 GLY 219 HA3 0.08 -0.03 0.29 -0.51 4.01 3.85 2ywbD1 VAL 220 H 0.06 0.26 0.12 -0.55 8.24 8.13 2ywbD1 VAL 220 HA 0.04 0.18 0.33 -0.75 4.13 3.93 2ywbD1 VAL 220 HB 0.03 0.17 0.13 -0.04 2.12 2.42 2ywbD1 VAL 220 HG13 0.04 -0.01 -0.04 -0.04 0.97 0.92 2ywbD1 VAL 220 HG23 0.01 0.02 -0.00 -0.04 0.95 0.94 2ywbD1 ASP 221 H 0.07 0.03 -0.30 -0.55 8.40 7.65 2ywbD1 ASP 221 HA 0.09 0.14 0.35 -0.75 4.63 4.46 2ywbD1 ASP 221 HB2 0.08 0.01 0.08 -0.04 2.71 2.83 2ywbD1 ASP 221 HB3 0.08 -0.14 0.09 -0.04 2.70 2.70 2ywbD1 SER 222 H 0.08 0.04 -0.06 -0.55 8.46 7.97 2ywbD1 SER 222 HA 0.08 0.11 0.38 -0.75 4.49 4.31 2ywbD1 SER 222 HB2 0.05 0.23 0.25 -0.04 3.95 4.44 2ywbD1 SER 222 HB3 0.04 0.03 0.17 -0.04 3.93 4.13 2ywbD1 SER 223 H 0.08 0.43 -0.40 -0.55 8.46 8.03 2ywbD1 SER 223 HA 0.05 0.02 0.36 -0.75 4.49 4.17 2ywbD1 SER 223 HB2 0.04 0.09 0.00 -0.04 3.95 4.04 2ywbD1 SER 223 HB3 0.03 0.05 -0.11 -0.04 3.93 3.85 2ywbD1 THR 224 H 0.09 0.58 -0.16 -0.55 8.28 8.25 2ywbD1 THR 224 HA 0.06 0.08 0.38 -0.75 4.39 4.16 2ywbD1 THR 224 HB 0.12 0.05 0.09 -0.04 4.32 4.53 2ywbD1 THR 224 HG23 0.02 0.00 -0.12 -0.04 1.22 1.08 2ywbD1 LEU 225 H 0.20 0.33 -0.33 -0.55 8.37 8.02 2ywbD1 LEU 225 HA -0.00 0.04 0.34 -0.75 4.35 3.97 2ywbD1 LEU 225 HB2 0.03 -0.00 -0.02 -0.04 1.64 1.61 2ywbD1 LEU 225 HB3 0.02 0.08 0.03 -0.04 1.64 1.73 2ywbD1 LEU 225 HG -0.11 0.03 -0.26 -0.04 1.64 1.26 2ywbD1 LEU 225 HD13 -0.47 -0.01 -0.05 -0.04 0.93 0.36 2ywbD1 LEU 225 HD23 -0.10 -0.02 -0.37 -0.04 0.89 0.36 2ywbD1 ALA 226 H 0.03 0.49 -0.23 -0.55 8.40 8.14 2ywbD1 ALA 226 HA -0.10 0.00 0.27 -0.75 4.34 3.76 2ywbD1 ALA 226 HB3 0.01 0.02 0.00 -0.04 1.41 1.40 2ywbD1 LEU 227 H 0.01 0.47 -0.28 -0.55 8.37 8.03 2ywbD1 LEU 227 HA -0.03 0.07 0.35 -0.75 4.35 3.98 2ywbD1 LEU 227 HB2 0.02 -0.01 0.11 -0.04 1.64 1.73 2ywbD1 LEU 227 HB3 0.01 0.04 -0.07 -0.04 1.64 1.57 2ywbD1 LEU 227 HG -0.00 0.16 -0.02 -0.04 1.64 1.74 2ywbD1 LEU 227 HD13 -0.00 0.01 -0.09 -0.04 0.93 0.81 2ywbD1 LEU 227 HD23 0.01 -0.03 -0.16 -0.04 0.89 0.66 2ywbD1 LEU 228 H 0.03 0.50 -0.28 -0.55 8.37 8.07 2ywbD1 LEU 228 HA 0.01 0.03 0.34 -0.75 4.35 3.98 2ywbD1 LEU 228 HB2 0.14 0.03 0.06 -0.04 1.64 1.84 2ywbD1 LEU 228 HB3 -0.02 0.08 0.14 -0.04 1.64 1.80 2ywbD1 LEU 228 HG -0.03 0.03 -0.27 -0.04 1.64 1.32 2ywbD1 LEU 228 HD13 0.05 -0.02 -0.10 -0.04 0.93 0.83 2ywbD1 LEU 228 HD23 -0.01 -0.03 -0.10 -0.04 0.89 0.71 2ywbD1 LEU 229 H -0.11 0.52 -0.14 -0.55 8.37 8.10 2ywbD1 LEU 229 HA -0.08 -0.00 0.31 -0.75 4.35 3.82 2ywbD1 LEU 229 HB2 -0.34 0.07 0.04 -0.04 1.64 1.37 2ywbD1 LEU 229 HB3 -0.13 0.03 -0.14 -0.04 1.64 1.35 2ywbD1 LEU 229 HG -0.12 0.20 -0.01 -0.04 1.64 1.66 2ywbD1 LEU 229 HD13 -0.06 -0.03 -0.19 -0.04 0.93 0.60 2ywbD1 LEU 229 HD23 -0.09 -0.02 -0.10 -0.04 0.89 0.64 2ywbD1 ALA 230 H -0.26 0.53 -0.15 -0.55 8.40 7.98 2ywbD1 ALA 230 HA 0.00 0.07 0.37 -0.75 4.34 4.02 2ywbD1 ALA 230 HB3 -0.07 0.01 -0.01 -0.04 1.41 1.30 2ywbD1 LYS 231 H -0.04 0.48 -0.37 -0.55 8.42 7.93 2ywbD1 LYS 231 HA -0.00 0.04 0.48 -0.75 4.32 4.08 2ywbD1 LYS 231 HB2 -0.01 0.06 0.11 -0.04 1.87 1.98 2ywbD1 LYS 231 HB3 -0.01 0.08 0.12 -0.04 1.79 1.94 2ywbD1 LYS 231 HG2 -0.01 -0.08 -0.03 -0.04 1.46 1.30 2ywbD1 LYS 231 HG3 -0.01 -0.03 0.04 -0.04 1.46 1.42 2ywbD1 LYS 231 HD2 -0.01 0.02 0.02 -0.04 1.69 1.68 2ywbD1 LYS 231 HD3 -0.01 -0.08 0.02 -0.04 1.68 1.57 2ywbD1 LYS 231 HE2 -0.00 -0.04 0.09 -0.04 2.99 2.99 2ywbD1 LYS 231 HE3 -0.00 0.08 0.06 -0.04 2.99 3.08 2ywbD1 ALA 232 H -0.02 0.38 -0.33 -0.55 8.40 7.87 2ywbD1 ALA 232 HA -0.01 0.08 0.68 -0.75 4.34 4.33 2ywbD1 ALA 232 HB3 -0.02 -0.01 0.13 -0.04 1.41 1.47 2ywbD1 GLY 233 H 0.02 0.33 -0.41 -0.55 8.43 7.83 2ywbD1 GLY 233 HA2 0.05 0.03 0.30 -0.51 4.01 3.88 2ywbD1 GLY 233 HA3 0.03 0.01 0.47 -0.51 4.01 4.00 2ywbD1 VAL 234 H 0.03 0.08 -0.50 -0.55 8.24 7.31 2ywbD1 VAL 234 HA 0.05 0.12 0.31 -0.75 4.13 3.86 2ywbD1 VAL 234 HB 0.04 -0.10 -0.10 -0.04 2.12 1.92 2ywbD1 VAL 234 HG13 0.05 0.04 -0.20 -0.04 0.97 0.82 2ywbD1 VAL 234 HG23 -0.02 -0.00 -0.13 -0.04 0.95 0.76 2ywbD1 ASP 235 H 0.09 0.29 0.15 -0.55 8.40 8.39 2ywbD1 ASP 235 HA 0.06 0.05 0.59 -0.75 4.63 4.57 2ywbD1 ASP 235 HB2 0.06 0.05 0.16 -0.04 2.71 2.94 2ywbD1 ASP 235 HB3 0.10 0.13 0.22 -0.04 2.70 3.10 2ywbD1 HIS 236 H -0.18 0.24 0.27 -0.55 8.41 8.19 2ywbD1 HIS 236 HA 0.12 0.27 1.02 -0.75 4.63 5.28 2ywbD1 HIS 236 HB2 0.03 -0.08 -0.05 -0.04 3.26 3.13 2ywbD1 HIS 236 HB3 0.04 0.02 -0.34 -0.04 3.20 2.88 2ywbD1 HIS 236 HD2 0.03 -0.07 -0.19 -0.04 6.97 6.69 2ywbD1 HIS 236 HE1 0.02 0.17 0.06 -0.04 7.75 7.96 2ywbD1 LEU 237 H 0.12 0.43 0.20 -0.55 8.37 8.57 2ywbD1 LEU 237 HA 0.01 0.23 0.79 -0.75 4.35 4.63 2ywbD1 LEU 237 HB2 0.20 0.09 -0.10 -0.04 1.64 1.79 2ywbD1 LEU 237 HB3 -0.06 -0.06 0.10 -0.04 1.64 1.57 2ywbD1 LEU 237 HG 0.02 -0.07 -0.41 -0.04 1.64 1.14 2ywbD1 LEU 237 HD13 0.05 0.03 -0.05 -0.04 0.93 0.92 2ywbD1 LEU 237 HD23 0.12 -0.01 -0.12 -0.04 0.89 0.84 2ywbD1 ALA 238 H 0.16 0.69 0.23 -0.55 8.40 8.92 2ywbD1 ALA 238 HA 0.11 0.28 0.78 -0.75 4.34 4.76 2ywbD1 ALA 238 HB3 0.13 -0.03 -0.05 -0.04 1.41 1.42 2ywbD1 VAL 239 H 0.17 0.60 0.44 -0.55 8.24 8.90 2ywbD1 VAL 239 HA 0.14 0.34 1.18 -0.75 4.13 5.04 2ywbD1 VAL 239 HB 0.45 -0.08 0.12 -0.04 2.12 2.57 2ywbD1 VAL 239 HG13 0.15 -0.02 -0.21 -0.04 0.97 0.85 2ywbD1 VAL 239 HG23 -0.04 0.06 -0.16 -0.04 0.95 0.76 2ywbD1 PHE 240 H 0.24 0.73 0.32 -0.55 8.34 9.07 2ywbD1 PHE 240 HA 0.05 0.34 0.95 -0.75 4.62 5.20 2ywbD1 PHE 240 HB2 0.03 0.02 -0.06 -0.04 3.15 3.10 2ywbD1 PHE 240 HB3 0.02 -0.08 0.19 -0.04 3.06 3.15 2ywbD1 PHE 240 HD2 -0.00 -0.03 -0.19 -0.04 7.28 7.02 2ywbD1 PHE 240 HE2 -0.03 -0.12 -0.40 -0.04 7.38 6.78 2ywbD1 PHE 240 HZ -0.05 -0.03 -0.19 -0.04 7.32 7.01 2ywbD1 VAL 241 H -0.12 0.26 0.10 -0.55 8.24 7.93 2ywbD1 VAL 241 HA 0.02 0.08 0.76 -0.75 4.13 4.23 2ywbD1 VAL 241 HB 0.15 0.00 0.18 -0.04 2.12 2.41 2ywbD1 VAL 241 HG13 0.12 -0.02 -0.19 -0.04 0.97 0.84 2ywbD1 VAL 241 HG23 0.05 0.04 -0.10 -0.04 0.95 0.90 2ywbD1 ASP 242 H -0.01 0.74 0.35 -0.55 8.40 8.94 2ywbD1 ASP 242 HA -0.32 0.08 0.66 -0.75 4.63 4.30 2ywbD1 ASP 242 HB2 0.16 0.08 0.09 -0.04 2.71 3.00 2ywbD1 ASP 242 HB3 0.06 0.02 0.33 -0.04 2.70 3.07 2ywbD1 HIS 243 H -0.81 0.39 0.15 -0.55 8.41 7.59 2ywbD1 HIS 243 HA -0.46 0.12 0.26 -0.75 4.63 3.80 2ywbD1 HIS 243 HB2 -1.15 0.04 0.10 -0.04 3.26 2.21 2ywbD1 HIS 243 HB3 -1.71 0.07 0.02 -0.04 3.20 1.53 2ywbD1 HIS 243 HD2 -0.34 0.03 0.03 -0.04 6.97 6.64 2ywbD1 HIS 243 HE1 0.01 0.00 -0.24 -0.04 7.75 7.48 2ywbD1 GLY 244 H 0.05 0.01 -0.55 -0.55 8.43 7.40 2ywbD1 GLY 244 HA2 0.08 -0.00 0.25 -0.51 4.01 3.83 2ywbD1 GLY 244 HA3 0.07 0.11 0.42 -0.51 4.01 4.11 2ywbD1 LEU 245 H 0.49 -0.01 -0.36 -0.55 8.37 7.95 2ywbD1 LEU 245 HA 0.02 0.27 0.81 -0.75 4.35 4.70 2ywbD1 LEU 245 HB2 -0.75 0.04 -0.08 -0.04 1.64 0.80 2ywbD1 LEU 245 HB3 -0.17 -0.14 0.15 -0.04 1.64 1.44 2ywbD1 LEU 245 HG -0.24 0.13 -0.36 -0.04 1.64 1.13 2ywbD1 LEU 245 HD13 -0.37 0.03 -0.04 -0.04 0.93 0.51 2ywbD1 LEU 245 HD23 -0.03 0.03 -0.18 -0.04 0.89 0.67 2ywbD1 LEU 246 H 0.17 -0.05 -0.18 -0.55 8.37 7.76 2ywbD1 LEU 246 HA 0.27 0.18 0.61 -0.75 4.35 4.65 2ywbD1 LEU 246 HB2 0.08 -0.06 -0.01 -0.04 1.64 1.61 2ywbD1 LEU 246 HB3 0.01 0.02 0.10 -0.04 1.64 1.73 2ywbD1 LEU 246 HG 0.06 -0.19 0.01 -0.04 1.64 1.47 2ywbD1 LEU 246 HD13 0.09 0.00 -0.05 -0.04 0.93 0.94 2ywbD1 LEU 246 HD23 0.11 0.06 0.01 -0.04 0.89 1.03 2ywbD1 ARG 247 H -0.31 0.12 0.12 -0.55 8.46 7.84 2ywbD1 ARG 247 HA -0.04 0.13 0.46 -0.75 4.34 4.14 2ywbD1 ARG 247 HB2 -0.27 -0.02 0.07 -0.04 1.90 1.63 2ywbD1 ARG 247 HB3 -0.12 0.08 0.06 -0.04 1.80 1.78 2ywbD1 ARG 247 HG2 -0.09 0.04 0.02 -0.04 1.67 1.60 2ywbD1 ARG 247 HG3 -0.72 -0.06 0.02 -0.04 1.67 0.86 2ywbD1 ARG 247 HD2 -0.15 0.04 -0.00 -0.04 3.22 3.07 2ywbD1 ARG 247 HD3 -0.26 0.06 -0.00 -0.04 3.22 2.98 2ywbD1 LEU 248 H -0.02 0.20 0.15 -0.55 8.37 8.15 2ywbD1 LEU 248 HA -0.00 -0.01 0.37 -0.75 4.35 3.95 2ywbD1 LEU 248 HB2 -0.00 0.12 0.14 -0.04 1.64 1.85 2ywbD1 LEU 248 HB3 -0.02 0.03 0.08 -0.04 1.64 1.69 2ywbD1 LEU 248 HG -0.01 -0.01 -0.07 -0.04 1.64 1.51 2ywbD1 LEU 248 HD13 0.00 -0.02 0.01 -0.04 0.93 0.88 2ywbD1 LEU 248 HD23 -0.00 0.02 -0.05 -0.04 0.89 0.82 2ywbD1 GLY 249 H -0.00 0.12 0.17 -0.55 8.43 8.16 2ywbD1 GLY 249 HA2 -0.01 -0.04 0.35 -0.51 4.01 3.79 2ywbD1 GLY 249 HA3 -0.02 0.14 0.33 -0.51 4.01 3.95 2ywbD1 GLU 250 H -0.02 0.54 -0.52 -0.55 8.60 8.06 2ywbD1 GLU 250 HA -0.05 0.14 0.40 -0.75 4.29 4.03 2ywbD1 GLU 250 HB2 -0.10 0.05 -0.02 -0.04 2.09 1.99 2ywbD1 GLU 250 HB3 -0.03 0.02 0.06 -0.04 1.99 2.00 2ywbD1 GLU 250 HG2 0.13 -0.03 -0.26 -0.04 2.34 2.14 2ywbD1 GLU 250 HG3 0.00 -0.00 -0.03 -0.04 2.34 2.27 2ywbD1 ARG 251 H 0.04 0.10 -0.11 -0.55 8.46 7.94 2ywbD1 ARG 251 HA -0.06 0.11 0.34 -0.75 4.34 3.98 2ywbD1 ARG 251 HB2 0.23 -0.02 0.05 -0.04 1.90 2.11 2ywbD1 ARG 251 HB3 0.05 -0.03 0.03 -0.04 1.80 1.81 2ywbD1 ARG 251 HG2 -0.05 0.05 -0.42 -0.04 1.67 1.21 2ywbD1 ARG 251 HG3 0.04 0.02 -0.03 -0.04 1.67 1.66 2ywbD1 ARG 251 HD2 0.08 0.05 -0.08 -0.04 3.22 3.23 2ywbD1 ARG 251 HD3 0.15 -0.06 -0.03 -0.04 3.22 3.24 2ywbD1 GLU 252 H -0.03 0.07 -0.32 -0.55 8.60 7.77 2ywbD1 GLU 252 HA -0.07 0.07 0.43 -0.75 4.29 3.96 2ywbD1 GLU 252 HB2 -0.03 0.07 0.07 -0.04 2.09 2.16 2ywbD1 GLU 252 HB3 -0.04 0.06 -0.02 -0.04 1.99 1.96 2ywbD1 GLU 252 HG2 -0.02 0.05 -0.00 -0.04 2.34 2.33 2ywbD1 GLU 252 HG3 -0.02 -0.12 -0.02 -0.04 2.34 2.14 2ywbD1 GLU 253 H -0.06 0.37 -0.17 -0.55 8.60 8.19 2ywbD1 GLU 253 HA -0.06 0.05 0.38 -0.75 4.29 3.91 2ywbD1 GLU 253 HB2 -0.06 0.05 0.08 -0.04 2.09 2.12 2ywbD1 GLU 253 HB3 -0.06 -0.01 0.00 -0.04 1.99 1.88 2ywbD1 GLU 253 HG2 -0.05 -0.07 0.01 -0.04 2.34 2.20 2ywbD1 GLU 253 HG3 -0.05 0.44 0.19 -0.04 2.34 2.88 2ywbD1 VAL 254 H -0.14 0.49 -0.15 -0.55 8.24 7.89 2ywbD1 VAL 254 HA -0.11 0.08 0.37 -0.75 4.13 3.72 2ywbD1 VAL 254 HB -0.47 0.03 0.07 -0.04 2.12 1.71 2ywbD1 VAL 254 HG13 -0.23 -0.02 -0.26 -0.04 0.97 0.42 2ywbD1 VAL 254 HG23 -0.01 0.03 0.02 -0.04 0.95 0.95 2ywbD1 GLU 255 H -0.29 0.48 -0.09 -0.55 8.60 8.16 2ywbD1 GLU 255 HA -0.18 0.03 0.36 -0.75 4.29 3.75 2ywbD1 GLU 255 HB2 -0.12 0.01 -0.01 -0.04 2.09 1.93 2ywbD1 GLU 255 HB3 -0.29 -0.03 0.06 -0.04 1.99 1.69 2ywbD1 GLU 255 HG2 -0.14 0.14 0.17 -0.04 2.34 2.46 2ywbD1 GLU 255 HG3 -0.09 0.06 -0.09 -0.04 2.34 2.19 2ywbD1 GLY 256 H -0.10 0.46 -0.17 -0.55 8.43 8.08 2ywbD1 GLY 256 HA2 -0.04 0.01 0.36 -0.51 4.01 3.82 2ywbD1 GLY 256 HA3 -0.05 0.09 0.30 -0.51 4.01 3.84 2ywbD1 ALA 257 H -0.06 0.46 -0.23 -0.55 8.40 8.02 2ywbD1 ALA 257 HA -0.03 0.05 0.45 -0.75 4.34 4.05 2ywbD1 ALA 257 HB3 -0.04 0.01 0.08 -0.04 1.41 1.41 2ywbD1 LEU 258 H -0.06 0.59 -0.04 -0.55 8.37 8.32 2ywbD1 LEU 258 HA -0.01 0.08 0.34 -0.75 4.35 4.00 2ywbD1 LEU 258 HB2 -0.05 0.02 0.07 -0.04 1.64 1.64 2ywbD1 LEU 258 HB3 0.00 -0.05 -0.07 -0.04 1.64 1.47 2ywbD1 LEU 258 HG -0.06 0.20 0.03 -0.04 1.64 1.77 2ywbD1 LEU 258 HD13 0.01 -0.05 -0.15 -0.04 0.93 0.70 2ywbD1 LEU 258 HD23 -0.00 -0.01 -0.07 -0.04 0.89 0.76 2ywbD1 ARG 259 H -0.03 0.67 -0.13 -0.55 8.46 8.42 2ywbD1 ARG 259 HA 0.01 0.15 0.54 -0.75 4.34 4.29 2ywbD1 ARG 259 HB2 -0.02 0.11 0.15 -0.04 1.90 2.10 2ywbD1 ARG 259 HB3 -0.01 -0.03 0.01 -0.04 1.80 1.73 2ywbD1 ARG 259 HG2 0.01 0.06 0.09 -0.04 1.67 1.79 2ywbD1 ARG 259 HG3 -0.02 -0.07 0.04 -0.04 1.67 1.58 2ywbD1 ARG 259 HD2 -0.03 -0.06 -0.09 -0.04 3.22 3.01 2ywbD1 ARG 259 HD3 -0.01 -0.01 -0.00 -0.04 3.22 3.16 2ywbD1 ALA 260 H -0.02 0.49 -0.11 -0.55 8.40 8.21 2ywbD1 ALA 260 HA -0.01 -0.03 0.38 -0.75 4.34 3.93 2ywbD1 ALA 260 HB3 -0.02 0.01 0.15 -0.04 1.41 1.51 2ywbD1 LEU 261 H -0.00 0.25 -0.59 -0.55 8.37 7.48 2ywbD1 LEU 261 HA -0.00 0.09 0.64 -0.75 4.35 4.32 2ywbD1 LEU 261 HB2 -0.00 0.05 0.09 -0.04 1.64 1.74 2ywbD1 LEU 261 HB3 -0.00 -0.02 0.04 -0.04 1.64 1.62 2ywbD1 LEU 261 HG -0.01 0.06 0.00 -0.04 1.64 1.66 2ywbD1 LEU 261 HD13 -0.01 0.01 -0.09 -0.04 0.93 0.80 2ywbD1 LEU 261 HD23 -0.01 0.01 -0.12 -0.04 0.89 0.73 2ywbD1 GLY 262 H 0.01 0.52 -0.32 -0.55 8.43 8.10 2ywbD1 GLY 262 HA2 0.03 -0.02 0.27 -0.51 4.01 3.78 2ywbD1 GLY 262 HA3 0.03 0.16 0.72 -0.51 4.01 4.40 2ywbD1 VAL 263 H 0.04 0.52 0.08 -0.55 8.24 8.33 2ywbD1 VAL 263 HA 0.20 0.13 0.49 -0.75 4.13 4.19 2ywbD1 VAL 263 HB 0.05 -0.08 -0.23 -0.04 2.12 1.81 2ywbD1 VAL 263 HG13 0.12 -0.03 -0.34 -0.04 0.97 0.68 2ywbD1 VAL 263 HG23 0.01 0.04 -0.20 -0.04 0.95 0.76 2ywbD1 ASN 264 H 0.84 0.18 0.07 -0.55 8.53 9.08 2ywbD1 ASN 264 HA 0.01 0.11 0.63 -0.75 4.76 4.75 2ywbD1 ASN 264 HB2 -0.31 0.07 0.15 -0.04 2.88 2.74 2ywbD1 ASN 264 HB3 -0.60 -0.01 0.20 -0.04 2.79 2.34 2ywbD1 ASN 264 HD21 -0.03 -0.09 0.07 -0.04 7.03 6.94 2ywbD1 ASN 264 HD22 -0.18 0.81 0.57 -0.04 7.74 8.90 2ywbD1 LEU 265 H 0.04 0.32 0.07 -0.55 8.37 8.25 2ywbD1 LEU 265 HA 0.08 0.27 1.04 -0.75 4.35 4.99 2ywbD1 LEU 265 HB2 0.04 -0.02 -0.23 -0.04 1.64 1.40 2ywbD1 LEU 265 HB3 0.02 0.02 0.00 -0.04 1.64 1.64 2ywbD1 LEU 265 HG 0.04 -0.05 -0.46 -0.04 1.64 1.13 2ywbD1 LEU 265 HD13 0.10 0.05 -0.16 -0.04 0.93 0.88 2ywbD1 LEU 265 HD23 -0.10 -0.02 -0.11 -0.04 0.89 0.62 2ywbD1 LEU 266 H 0.09 0.67 0.32 -0.55 8.37 8.90 2ywbD1 LEU 266 HA 0.05 0.14 0.88 -0.75 4.35 4.66 2ywbD1 LEU 266 HB2 0.05 0.08 -0.07 -0.04 1.64 1.66 2ywbD1 LEU 266 HB3 0.06 0.05 0.08 -0.04 1.64 1.80 2ywbD1 LEU 266 HG 0.07 -0.12 -0.41 -0.04 1.64 1.14 2ywbD1 LEU 266 HD13 0.04 -0.01 -0.00 -0.04 0.93 0.92 2ywbD1 LEU 266 HD23 0.04 0.01 -0.10 -0.04 0.89 0.80 2ywbD1 VAL 267 H 0.06 0.21 0.13 -0.55 8.24 8.10 2ywbD1 VAL 267 HA 0.20 0.20 1.04 -0.75 4.13 4.82 2ywbD1 VAL 267 HB 0.07 -0.00 0.10 -0.04 2.12 2.24 2ywbD1 VAL 267 HG13 0.21 -0.01 -0.11 -0.04 0.97 1.02 2ywbD1 VAL 267 HG23 0.01 0.01 -0.11 -0.04 0.95 0.82 2ywbD1 VAL 268 H 0.14 0.70 0.34 -0.55 8.24 8.87 2ywbD1 VAL 268 HA 0.07 0.21 0.90 -0.75 4.13 4.57 2ywbD1 VAL 268 HB 0.08 -0.14 0.11 -0.04 2.12 2.13 2ywbD1 VAL 268 HG13 0.08 -0.00 -0.27 -0.04 0.97 0.74 2ywbD1 VAL 268 HG23 0.07 0.05 -0.19 -0.04 0.95 0.84 2ywbD1 ASP 269 H 0.07 0.27 0.13 -0.55 8.40 8.33 2ywbD1 ASP 269 HA 0.08 0.09 0.80 -0.75 4.63 4.84 2ywbD1 ASP 269 HB2 0.06 0.06 0.11 -0.04 2.71 2.90 2ywbD1 ASP 269 HB3 0.06 0.06 0.26 -0.04 2.70 3.03 2ywbD1 ALA 270 H 0.10 0.54 0.14 -0.55 8.40 8.63 2ywbD1 ALA 270 HA 0.16 0.19 0.82 -0.75 4.34 4.75 2ywbD1 ALA 270 HB3 0.35 0.01 -0.08 -0.04 1.41 1.66 2ywbD1 LYS 271 H 0.11 0.11 -0.12 -0.55 8.42 7.97 2ywbD1 LYS 271 HA 0.14 0.16 0.12 -0.75 4.32 3.99 2ywbD1 LYS 271 HB2 0.08 -0.05 0.09 -0.04 1.87 1.94 2ywbD1 LYS 271 HB3 0.08 0.06 -0.01 -0.04 1.79 1.87 2ywbD1 LYS 271 HG2 0.07 -0.05 -0.01 -0.04 1.46 1.42 2ywbD1 LYS 271 HG3 0.08 -0.07 0.12 -0.04 1.46 1.55 2ywbD1 LYS 271 HD2 0.06 0.02 0.03 -0.04 1.69 1.76 2ywbD1 LYS 271 HD3 0.06 0.02 0.02 -0.04 1.68 1.74 2ywbD1 LYS 271 HE2 0.04 0.04 0.00 -0.04 2.99 3.04 2ywbD1 LYS 271 HE3 0.05 0.03 0.01 -0.04 2.99 3.03 2ywbD1 GLU 272 H 0.09 0.14 -0.06 -0.55 8.60 8.23 2ywbD1 GLU 272 HA 0.07 0.07 0.35 -0.75 4.29 4.03 2ywbD1 GLU 272 HB2 0.06 0.01 0.09 -0.04 2.09 2.20 2ywbD1 GLU 272 HB3 0.06 0.02 0.02 -0.04 1.99 2.05 2ywbD1 GLU 272 HG2 0.04 0.02 -0.11 -0.04 2.34 2.25 2ywbD1 GLU 272 HG3 0.04 -0.00 0.05 -0.04 2.34 2.39 2ywbD1 ARG 273 H 0.13 0.05 -0.53 -0.55 8.46 7.56 2ywbD1 ARG 273 HA 0.02 0.07 0.40 -0.75 4.34 4.07 2ywbD1 ARG 273 HB2 0.05 -0.02 0.06 -0.04 1.90 1.95 2ywbD1 ARG 273 HB3 0.13 0.14 0.13 -0.04 1.80 2.16 2ywbD1 ARG 273 HG2 -0.24 0.02 -0.22 -0.04 1.67 1.19 2ywbD1 ARG 273 HG3 -0.06 -0.00 0.01 -0.04 1.67 1.57 2ywbD1 ARG 273 HD2 -0.00 -0.01 0.01 -0.04 3.22 3.18 2ywbD1 ARG 273 HD3 -0.09 0.01 0.00 -0.04 3.22 3.10 2ywbD1 PHE 274 H 0.42 0.54 0.05 -0.55 8.34 8.79 2ywbD1 PHE 274 HA 0.04 0.01 0.40 -0.75 4.62 4.32 2ywbD1 PHE 274 HB2 0.08 0.19 0.21 -0.04 3.15 3.59 2ywbD1 PHE 274 HB3 0.04 -0.01 0.02 -0.04 3.06 3.06 2ywbD1 PHE 274 HD2 0.07 0.27 0.10 -0.04 7.28 7.69 2ywbD1 PHE 274 HE2 0.14 0.05 -0.03 -0.04 7.38 7.50 2ywbD1 PHE 274 HZ 0.23 -0.01 -0.24 -0.04 7.32 7.27 2ywbD1 LEU 275 H 0.17 0.46 -0.27 -0.55 8.37 8.19 2ywbD1 LEU 275 HA 0.09 0.04 0.33 -0.75 4.35 4.05 2ywbD1 LEU 275 HB2 0.09 0.08 0.06 -0.04 1.64 1.83 2ywbD1 LEU 275 HB3 0.07 0.06 0.10 -0.04 1.64 1.83 2ywbD1 LEU 275 HG 0.04 0.01 -0.10 -0.04 1.64 1.56 2ywbD1 LEU 275 HD13 0.05 -0.02 -0.08 -0.04 0.93 0.83 2ywbD1 LEU 275 HD23 0.04 -0.05 -0.01 -0.04 0.89 0.83 2ywbD1 LYS 276 H 0.05 0.54 -0.07 -0.55 8.42 8.39 2ywbD1 LYS 276 HA 0.03 -0.03 0.44 -0.75 4.32 4.00 2ywbD1 LYS 276 HB2 0.01 0.12 0.24 -0.04 1.87 2.21 2ywbD1 LYS 276 HB3 0.01 -0.03 0.02 -0.04 1.79 1.75 2ywbD1 LYS 276 HG2 0.02 -0.06 0.08 -0.04 1.46 1.45 2ywbD1 LYS 276 HG3 0.03 0.13 0.14 -0.04 1.46 1.72 2ywbD1 LYS 276 HD2 0.02 -0.01 -0.01 -0.04 1.69 1.64 2ywbD1 LYS 276 HD3 0.01 -0.01 0.01 -0.04 1.68 1.65 2ywbD1 LYS 276 HE2 0.02 -0.04 -0.01 -0.04 2.99 2.92 2ywbD1 LYS 276 HE3 0.02 -0.01 -0.02 -0.04 2.99 2.93 2ywbD1 ALA 277 H -0.01 0.57 -0.06 -0.55 8.40 8.36 2ywbD1 ALA 277 HA -0.01 -0.01 0.38 -0.75 4.34 3.95 2ywbD1 ALA 277 HB3 -0.07 -0.00 0.09 -0.04 1.41 1.40 2ywbD1 LEU 278 H 0.04 0.39 -0.46 -0.55 8.37 7.79 2ywbD1 LEU 278 HA 0.02 0.07 0.72 -0.75 4.35 4.41 2ywbD1 LEU 278 HB2 0.05 0.13 0.13 -0.04 1.64 1.91 2ywbD1 LEU 278 HB3 0.03 -0.12 0.18 -0.04 1.64 1.69 2ywbD1 LEU 278 HG 0.08 0.09 -0.03 -0.04 1.64 1.74 2ywbD1 LEU 278 HD13 0.06 -0.03 -0.04 -0.04 0.93 0.88 2ywbD1 LEU 278 HD23 0.04 -0.01 0.01 -0.04 0.89 0.89 2ywbD1 LYS 279 H 0.02 0.49 -0.12 -0.55 8.42 8.25 2ywbD1 LYS 279 HA 0.02 -0.04 0.45 -0.75 4.32 4.00 2ywbD1 LYS 279 HB2 0.02 0.16 0.28 -0.04 1.87 2.29 2ywbD1 LYS 279 HB3 0.01 -0.02 0.11 -0.04 1.79 1.85 2ywbD1 LYS 279 HG2 0.02 -0.03 0.09 -0.04 1.46 1.50 2ywbD1 LYS 279 HG3 0.02 -0.04 0.05 -0.04 1.46 1.45 2ywbD1 LYS 279 HD2 0.02 0.11 -0.17 -0.04 1.69 1.61 2ywbD1 LYS 279 HD3 0.02 -0.06 0.02 -0.04 1.68 1.62 2ywbD1 LYS 279 HE2 0.01 0.03 -0.06 -0.04 2.99 2.93 2ywbD1 LYS 279 HE3 0.01 -0.02 -0.05 -0.04 2.99 2.89 2ywbD1 GLY 280 H 0.02 0.08 0.20 -0.55 8.43 8.18 2ywbD1 GLY 280 HA2 0.02 -0.05 0.36 -0.51 4.01 3.83 2ywbD1 GLY 280 HA3 0.01 0.08 0.42 -0.51 4.01 4.01 2ywbD1 VAL 281 H 0.02 0.60 -0.40 -0.55 8.24 7.91 2ywbD1 VAL 281 HA 0.01 -0.01 0.65 -0.75 4.13 4.03 2ywbD1 VAL 281 HB 0.02 0.08 0.13 -0.04 2.12 2.31 2ywbD1 VAL 281 HG13 0.01 -0.03 -0.21 -0.04 0.97 0.70 2ywbD1 VAL 281 HG23 0.01 0.06 -0.08 -0.04 0.95 0.89 2ywbD1 GLU 282 H 0.01 0.04 0.22 -0.55 8.60 8.34 2ywbD1 GLU 282 HA 0.02 0.25 0.69 -0.75 4.29 4.50 2ywbD1 GLU 282 HB2 0.02 0.01 0.11 -0.04 2.09 2.18 2ywbD1 GLU 282 HB3 0.02 0.01 -0.05 -0.04 1.99 1.92 2ywbD1 GLU 282 HG2 0.02 0.03 0.00 -0.04 2.34 2.35 2ywbD1 GLU 282 HG3 0.03 -0.07 0.02 -0.04 2.34 2.28 2ywbD1 ASP 283 H 0.01 -0.01 0.12 -0.55 8.40 7.98 2ywbD1 ASP 283 HA 0.01 0.21 0.54 -0.75 4.63 4.64 2ywbD1 ASP 283 HB2 0.01 0.09 0.15 -0.04 2.71 2.92 2ywbD1 ASP 283 HB3 0.01 -0.03 0.19 -0.04 2.70 2.82 2ywbD1 PRO 284 HA 0.01 0.15 0.41 -0.51 4.44 4.51 2ywbD1 PRO 284 HB2 0.01 -0.03 0.14 -0.04 2.28 2.36 2ywbD1 PRO 284 HB3 0.02 -0.04 0.11 -0.04 2.02 2.07 2ywbD1 PRO 284 HG2 0.03 0.08 0.14 -0.04 2.03 2.24 2ywbD1 PRO 284 HG3 0.03 0.18 0.15 -0.04 2.03 2.35 2ywbD1 PRO 284 HD2 0.01 0.03 0.26 -0.04 3.68 3.94 2ywbD1 PRO 284 HD3 0.02 0.35 0.38 -0.04 3.65 4.37 2ywbD1 GLU 285 H 0.01 0.18 -0.07 -0.55 8.60 8.18 2ywbD1 GLU 285 HA 0.01 0.09 0.44 -0.75 4.29 4.06 2ywbD1 GLU 285 HB2 0.01 -0.01 0.05 -0.04 2.09 2.09 2ywbD1 GLU 285 HB3 0.01 0.05 -0.00 -0.04 1.99 2.00 2ywbD1 GLU 285 HG2 0.00 0.01 0.02 -0.04 2.34 2.33 2ywbD1 GLU 285 HG3 0.00 -0.00 0.05 -0.04 2.34 2.35 2ywbD1 GLU 286 H 0.01 0.09 -0.40 -0.55 8.60 7.76 2ywbD1 GLU 286 HA 0.01 0.07 0.46 -0.75 4.29 4.07 2ywbD1 GLU 286 HB2 0.01 -0.06 0.09 -0.04 2.09 2.09 2ywbD1 GLU 286 HB3 0.01 0.15 0.10 -0.04 1.99 2.21 2ywbD1 GLU 286 HG2 0.01 -0.00 0.02 -0.04 2.34 2.33 2ywbD1 GLU 286 HG3 0.01 0.04 -0.08 -0.04 2.34 2.27 2ywbD1 LYS 287 H 0.01 0.52 -0.17 -0.55 8.42 8.22 2ywbD1 LYS 287 HA 0.02 0.06 0.37 -0.75 4.32 4.01 2ywbD1 LYS 287 HB2 0.01 0.16 0.18 -0.04 1.87 2.17 2ywbD1 LYS 287 HB3 0.00 -0.06 -0.08 -0.04 1.79 1.61 2ywbD1 LYS 287 HG2 0.01 0.00 -0.07 -0.04 1.46 1.37 2ywbD1 LYS 287 HG3 0.01 0.08 -0.32 -0.04 1.46 1.19 2ywbD1 LYS 287 HD2 0.01 -0.13 -0.08 -0.04 1.69 1.45 2ywbD1 LYS 287 HD3 0.00 0.00 -0.09 -0.04 1.68 1.55 2ywbD1 LYS 287 HE2 0.01 -0.00 0.05 -0.04 2.99 3.01 2ywbD1 LYS 287 HE3 0.02 -0.06 -0.18 -0.04 2.99 2.73 2ywbD1 ARG 288 H 0.01 0.58 -0.05 -0.55 8.46 8.44 2ywbD1 ARG 288 HA 0.00 -0.01 0.36 -0.75 4.34 3.94 2ywbD1 ARG 288 HB2 0.00 0.09 0.12 -0.04 1.90 2.07 2ywbD1 ARG 288 HB3 -0.00 -0.03 0.03 -0.04 1.80 1.75 2ywbD1 ARG 288 HG2 -0.02 -0.06 0.02 -0.04 1.67 1.57 2ywbD1 ARG 288 HG3 -0.01 0.11 0.05 -0.04 1.67 1.78 2ywbD1 ARG 288 HD2 -0.00 -0.02 -0.07 -0.04 3.22 3.09 2ywbD1 ARG 288 HD3 -0.01 -0.00 -0.01 -0.04 3.22 3.15 2ywbD1 LYS 289 H 0.01 0.39 -0.42 -0.55 8.42 7.85 2ywbD1 LYS 289 HA 0.02 0.03 0.50 -0.75 4.32 4.12 2ywbD1 LYS 289 HB2 0.01 0.09 0.21 -0.04 1.87 2.15 2ywbD1 LYS 289 HB3 0.02 -0.04 0.03 -0.04 1.79 1.76 2ywbD1 LYS 289 HG2 0.01 -0.06 0.02 -0.04 1.46 1.39 2ywbD1 LYS 289 HG3 0.01 0.45 0.14 -0.04 1.46 2.02 2ywbD1 LYS 289 HD2 0.01 -0.04 -0.04 -0.04 1.69 1.58 2ywbD1 LYS 289 HD3 0.01 -0.03 -0.03 -0.04 1.68 1.59 2ywbD1 LYS 289 HE2 0.01 0.00 -0.01 -0.04 2.99 2.96 2ywbD1 LYS 289 HE3 0.01 -0.01 -0.00 -0.04 2.99 2.96 2ywbD1 ILE 290 H 0.02 0.74 0.05 -0.55 8.25 8.51 2ywbD1 ILE 290 HA 0.01 -0.01 0.41 -0.75 4.18 3.84 2ywbD1 ILE 290 HB 0.02 0.09 0.16 -0.04 1.89 2.12 2ywbD1 ILE 290 HG12 0.00 -0.08 0.07 -0.04 1.49 1.45 2ywbD1 ILE 290 HG13 0.01 0.12 0.13 -0.04 1.21 1.43 2ywbD1 ILE 290 HG23 -0.01 0.03 -0.19 -0.04 0.93 0.72 2ywbD1 ILE 290 HD13 0.01 0.06 0.03 -0.04 0.88 0.94 2ywbD1 ILE 291 H 0.06 0.65 -0.17 -0.55 8.25 8.23 2ywbD1 ILE 291 HA 0.23 0.01 0.46 -0.75 4.18 4.12 2ywbD1 ILE 291 HB 0.06 0.08 0.09 -0.04 1.89 2.08 2ywbD1 ILE 291 HG12 0.22 -0.05 0.01 -0.04 1.49 1.63 2ywbD1 ILE 291 HG13 0.10 0.04 0.01 -0.04 1.21 1.33 2ywbD1 ILE 291 HG23 0.12 -0.03 -0.19 -0.04 0.93 0.78 2ywbD1 ILE 291 HD13 -0.02 -0.01 -0.05 -0.04 0.88 0.76 2ywbD1 GLY 292 H 0.07 0.57 -0.17 -0.55 8.43 8.36 2ywbD1 GLY 292 HA2 0.14 -0.03 0.45 -0.51 4.01 4.06 2ywbD1 GLY 292 HA3 0.08 0.10 0.35 -0.51 4.01 4.03 2ywbD1 ARG 293 H 0.06 0.63 -0.19 -0.55 8.46 8.41 2ywbD1 ARG 293 HA 0.06 0.01 0.41 -0.75 4.34 4.06 2ywbD1 ARG 293 HB2 0.02 0.11 0.13 -0.04 1.90 2.12 2ywbD1 ARG 293 HB3 -0.00 0.11 0.18 -0.04 1.80 2.04 2ywbD1 ARG 293 HG2 0.00 -0.07 -0.08 -0.04 1.67 1.49 2ywbD1 ARG 293 HG3 0.01 -0.01 0.02 -0.04 1.67 1.65 2ywbD1 ARG 293 HD2 -0.03 -0.00 -0.05 -0.04 3.22 3.11 2ywbD1 ARG 293 HD3 -0.01 -0.02 -0.02 -0.04 3.22 3.12 2ywbD1 GLU 294 H -0.03 0.71 0.02 -0.55 8.60 8.75 2ywbD1 GLU 294 HA -0.17 -0.01 0.39 -0.75 4.29 3.74 2ywbD1 GLU 294 HB2 -0.56 0.09 0.15 -0.04 2.09 1.72 2ywbD1 GLU 294 HB3 -1.23 -0.11 0.00 -0.04 1.99 0.61 2ywbD1 GLU 294 HG2 -0.17 0.22 0.13 -0.04 2.34 2.48 2ywbD1 GLU 294 HG3 -0.37 -0.02 -0.00 -0.04 2.34 1.91 2ywbD1 PHE 295 H 0.32 0.56 -0.35 -0.55 8.34 8.32 2ywbD1 PHE 295 HA 0.45 -0.04 0.41 -0.75 4.62 4.69 2ywbD1 PHE 295 HB2 0.29 0.03 0.11 -0.04 3.15 3.53 2ywbD1 PHE 295 HB3 0.12 0.15 0.18 -0.04 3.06 3.47 2ywbD1 PHE 295 HD2 0.03 0.03 -0.03 -0.04 7.28 7.26 2ywbD1 PHE 295 HE2 -0.26 -0.02 -0.01 -0.04 7.38 7.05 2ywbD1 PHE 295 HZ -0.56 -0.01 -0.01 -0.04 7.32 6.69 2ywbD1 VAL 296 H 0.21 0.60 -0.03 -0.55 8.24 8.47 2ywbD1 VAL 296 HA -0.02 -0.03 0.39 -0.75 4.13 3.72 2ywbD1 VAL 296 HB 0.08 0.14 0.19 -0.04 2.12 2.50 2ywbD1 VAL 296 HG13 0.09 -0.02 -0.08 -0.04 0.97 0.92 2ywbD1 VAL 296 HG23 0.18 0.05 0.09 -0.04 0.95 1.23 2ywbD1 ALA 297 H 0.01 0.55 -0.22 -0.55 8.40 8.19 2ywbD1 ALA 297 HA 0.00 0.02 0.40 -0.75 4.34 4.01 2ywbD1 ALA 297 HB3 -0.03 0.02 0.08 -0.04 1.41 1.44 2ywbD1 ALA 298 H -0.03 0.60 -0.02 -0.55 8.40 8.40 2ywbD1 ALA 298 HA 0.01 -0.02 0.37 -0.75 4.34 3.94 2ywbD1 ALA 298 HB3 0.08 -0.00 0.08 -0.04 1.41 1.53 2ywbD1 PHE 299 H -0.14 0.75 -0.14 -0.55 8.34 8.26 2ywbD1 PHE 299 HA -0.20 -0.02 0.39 -0.75 4.62 4.03 2ywbD1 PHE 299 HB2 -0.99 0.00 0.06 -0.04 3.15 2.18 2ywbD1 PHE 299 HB3 -0.39 0.05 0.11 -0.04 3.06 2.79 2ywbD1 PHE 299 HD2 -0.15 -0.01 -0.07 -0.04 7.28 7.01 2ywbD1 PHE 299 HE2 -0.16 0.03 -0.11 -0.04 7.38 7.10 2ywbD1 PHE 299 HZ -0.19 -0.05 -0.17 -0.04 7.32 6.87 2ywbD1 SER 300 H 0.03 0.82 0.00 -0.55 8.46 8.77 2ywbD1 SER 300 HA -0.00 -0.03 0.35 -0.75 4.49 4.05 2ywbD1 SER 300 HB2 0.07 0.06 0.16 -0.04 3.95 4.20 2ywbD1 SER 300 HB3 0.02 0.07 0.23 -0.04 3.93 4.21 2ywbD1 GLN 301 H -0.02 0.75 -0.13 -0.55 8.47 8.53 2ywbD1 GLN 301 HA -0.01 -0.03 0.38 -0.75 4.36 3.96 2ywbD1 GLN 301 HB2 -0.01 0.05 0.10 -0.04 2.15 2.26 2ywbD1 GLN 301 HB3 -0.01 0.09 0.15 -0.04 2.02 2.21 2ywbD1 GLN 301 HG2 0.00 -0.00 -0.16 -0.04 2.40 2.20 2ywbD1 GLN 301 HG3 -0.00 -0.03 0.02 -0.04 2.39 2.34 2ywbD1 GLN 301 HE21 0.00 -0.04 -0.02 -0.04 6.97 6.88 2ywbD1 GLN 301 HE22 0.00 0.00 -0.01 -0.04 7.69 7.64 2ywbD1 VAL 302 H -0.06 0.50 -0.07 -0.55 8.24 8.06 2ywbD1 VAL 302 HA -0.01 -0.05 0.30 -0.75 4.13 3.62 2ywbD1 VAL 302 HB -0.18 0.14 0.10 -0.04 2.12 2.13 2ywbD1 VAL 302 HG13 -0.03 -0.01 -0.16 -0.04 0.97 0.73 2ywbD1 VAL 302 HG23 0.00 0.03 0.02 -0.04 0.95 0.96 2ywbD1 ALA 303 H -0.19 0.56 -0.35 -0.55 8.40 7.87 2ywbD1 ALA 303 HA 0.04 -0.01 0.32 -0.75 4.34 3.94 2ywbD1 ALA 303 HB3 -0.04 0.04 0.07 -0.04 1.41 1.43 2ywbD1 ARG 304 H 0.02 0.53 -0.10 -0.55 8.46 8.35 2ywbD1 ARG 304 HA 0.04 0.01 0.48 -0.75 4.34 4.11 2ywbD1 ARG 304 HB2 0.01 -0.01 0.13 -0.04 1.90 1.99 2ywbD1 ARG 304 HB3 0.01 0.06 0.25 -0.04 1.80 2.08 2ywbD1 ARG 304 HG2 -0.00 0.01 -0.17 -0.04 1.67 1.47 2ywbD1 ARG 304 HG3 -0.00 -0.02 0.01 -0.04 1.67 1.61 2ywbD1 ARG 304 HD2 -0.01 -0.03 -0.02 -0.04 3.22 3.12 2ywbD1 ARG 304 HD3 -0.00 -0.01 -0.00 -0.04 3.22 3.16 2ywbD1 GLU 305 H 0.02 0.46 0.08 -0.55 8.60 8.61 2ywbD1 GLU 305 HA 0.00 0.01 0.33 -0.75 4.29 3.88 2ywbD1 GLU 305 HB2 0.02 0.03 0.00 -0.04 2.09 2.10 2ywbD1 GLU 305 HB3 0.01 -0.04 0.08 -0.04 1.99 1.99 2ywbD1 GLU 305 HG2 0.00 -0.04 0.02 -0.04 2.34 2.29 2ywbD1 GLU 305 HG3 0.01 0.15 0.04 -0.04 2.34 2.50 2ywbD1 ARG 306 H 0.09 0.26 -0.56 -0.55 8.46 7.69 2ywbD1 ARG 306 HA 0.01 0.13 0.94 -0.75 4.34 4.66 2ywbD1 ARG 306 HB2 0.34 0.02 -0.09 -0.04 1.90 2.14 2ywbD1 ARG 306 HB3 0.14 -0.06 0.06 -0.04 1.80 1.89 2ywbD1 ARG 306 HG2 0.07 0.09 -0.08 -0.04 1.67 1.70 2ywbD1 ARG 306 HG3 0.08 -0.11 -0.08 -0.04 1.67 1.52 2ywbD1 ARG 306 HD2 0.03 0.14 -0.24 -0.04 3.22 3.11 2ywbD1 ARG 306 HD3 0.04 -0.12 -0.12 -0.04 3.22 2.98 2ywbD1 GLY 307 H 0.04 0.17 -0.16 -0.55 8.43 7.94 2ywbD1 GLY 307 HA2 -1.05 0.04 0.21 -0.51 4.01 2.70 2ywbD1 GLY 307 HA3 -0.11 -0.00 0.42 -0.51 4.01 3.81 2ywbD1 PRO 308 HA -0.12 0.07 0.39 -0.51 4.44 4.28 2ywbD1 PRO 308 HB2 -0.09 0.02 -0.00 -0.04 2.28 2.17 2ywbD1 PRO 308 HB3 -0.09 0.01 0.10 -0.04 2.02 2.00 2ywbD1 PRO 308 HG2 -0.13 0.00 0.04 -0.04 2.03 1.90 2ywbD1 PRO 308 HG3 -0.09 -0.01 0.07 -0.04 2.03 1.96 2ywbD1 PRO 308 HD2 -0.15 0.12 0.40 -0.04 3.68 4.02 2ywbD1 PRO 308 HD3 -0.11 0.04 0.13 -0.04 3.65 3.68 2ywbD1 PHE 309 H 0.13 0.23 0.10 -0.55 8.34 8.25 2ywbD1 PHE 309 HA 0.08 0.13 0.86 -0.75 4.62 4.94 2ywbD1 PHE 309 HB2 0.38 -0.04 0.09 -0.04 3.15 3.53 2ywbD1 PHE 309 HB3 0.19 0.10 -0.02 -0.04 3.06 3.29 2ywbD1 PHE 309 HD2 0.10 -0.05 -0.21 -0.04 7.28 7.08 2ywbD1 PHE 309 HE2 -0.00 0.02 -0.19 -0.04 7.38 7.16 2ywbD1 PHE 309 HZ -0.01 -0.01 -0.21 -0.04 7.32 7.05 2ywbD1 ARG 310 H 0.12 0.14 0.24 -0.55 8.46 8.41 2ywbD1 ARG 310 HA -0.10 0.07 0.54 -0.75 4.34 4.10 2ywbD1 ARG 310 HB2 -0.12 -0.04 0.17 -0.04 1.90 1.87 2ywbD1 ARG 310 HB3 -0.03 0.02 0.25 -0.04 1.80 2.00 2ywbD1 ARG 310 HG2 -0.40 0.02 0.04 -0.04 1.67 1.28 2ywbD1 ARG 310 HG3 -1.94 0.04 -0.25 -0.04 1.67 -0.53 2ywbD1 ARG 310 HD2 -0.38 0.01 0.22 -0.04 3.22 3.03 2ywbD1 ARG 310 HD3 -0.25 -0.03 0.07 -0.04 3.22 2.97 2ywbD1 PHE 311 H 0.31 0.44 0.12 -0.55 8.34 8.66 2ywbD1 PHE 311 HA 0.16 0.16 1.14 -0.75 4.62 5.33 2ywbD1 PHE 311 HB2 0.09 0.02 0.04 -0.04 3.15 3.26 2ywbD1 PHE 311 HB3 0.06 -0.03 -0.04 -0.04 3.06 3.01 2ywbD1 PHE 311 HD2 0.07 0.05 -0.19 -0.04 7.28 7.17 2ywbD1 PHE 311 HE2 0.04 0.03 -0.04 -0.04 7.38 7.37 2ywbD1 PHE 311 HZ 0.03 0.11 -0.06 -0.04 7.32 7.36 2ywbD1 LEU 312 H 0.26 0.72 0.28 -0.55 8.37 9.08 2ywbD1 LEU 312 HA -0.07 0.20 0.90 -0.75 4.35 4.62 2ywbD1 LEU 312 HB2 -0.38 0.01 -0.12 -0.04 1.64 1.11 2ywbD1 LEU 312 HB3 0.05 -0.01 -0.01 -0.04 1.64 1.62 2ywbD1 LEU 312 HG -0.04 0.03 -0.38 -0.04 1.64 1.20 2ywbD1 LEU 312 HD13 -0.20 0.02 -0.12 -0.04 0.93 0.60 2ywbD1 LEU 312 HD23 -0.06 -0.03 -0.11 -0.04 0.89 0.65 2ywbD1 ALA 313 H -0.01 0.88 0.35 -0.55 8.40 9.08 2ywbD1 ALA 313 HA -0.03 0.28 0.91 -0.75 4.34 4.74 2ywbD1 ALA 313 HB3 -0.06 -0.02 0.03 -0.04 1.41 1.32 2ywbD1 GLN 314 H -0.05 0.86 0.51 -0.55 8.47 9.24 2ywbD1 GLN 314 HA -0.03 0.12 0.91 -0.75 4.36 4.61 2ywbD1 GLN 314 HB2 -0.00 0.03 0.01 -0.04 2.15 2.15 2ywbD1 GLN 314 HB3 -0.00 -0.12 0.02 -0.04 2.02 1.87 2ywbD1 GLN 314 HG2 -0.01 0.05 -0.13 -0.04 2.40 2.26 2ywbD1 GLN 314 HG3 0.01 0.10 -0.32 -0.04 2.39 2.14 2ywbD1 GLN 314 HE21 0.03 0.01 -0.05 -0.04 6.97 6.91 2ywbD1 GLN 314 HE22 0.00 -0.01 -0.05 -0.04 7.69 7.59 2ywbD1 GLY 315 H 0.00 0.14 0.07 -0.55 8.43 8.09 2ywbD1 GLY 315 HA2 0.04 0.19 0.51 -0.51 4.01 4.24 2ywbD1 GLY 315 HA3 0.10 -0.07 0.25 -0.51 4.01 3.78 2ywbD1 THR 316 H 0.03 0.09 -0.53 -0.55 8.28 7.32 2ywbD1 THR 316 HA 0.05 -0.03 0.30 -0.75 4.39 3.95 2ywbD1 THR 316 HB 0.05 0.00 -0.04 -0.04 4.32 4.28 2ywbD1 THR 316 HG23 0.04 0.04 -0.13 -0.04 1.22 1.13 2ywbD1 LEU 317 H 0.06 0.03 0.19 -0.55 8.37 8.10 2ywbD1 LEU 317 HA 0.11 0.42 0.78 -0.75 4.35 4.90 2ywbD1 LEU 317 HB2 0.05 -0.15 0.08 -0.04 1.64 1.58 2ywbD1 LEU 317 HB3 0.05 0.16 0.17 -0.04 1.64 1.98 2ywbD1 LEU 317 HG 0.09 0.04 -0.03 -0.04 1.64 1.69 2ywbD1 LEU 317 HD13 0.08 -0.06 -0.04 -0.04 0.93 0.87 2ywbD1 LEU 317 HD23 0.15 0.04 -0.24 -0.04 0.89 0.80 2ywbD1 TYR 318 H 0.04 0.59 0.09 -0.55 8.29 8.46 2ywbD1 TYR 318 HA -0.11 0.32 0.40 -0.75 4.56 4.41 2ywbD1 TYR 318 HB2 -0.31 -0.05 -0.43 -0.04 3.06 2.24 2ywbD1 TYR 318 HB3 -0.78 -0.09 -0.18 -0.04 2.98 1.89 2ywbD1 TYR 318 HD2 -0.47 0.06 0.01 -0.04 7.15 6.72 2ywbD1 TYR 318 HE2 -0.14 -0.00 -0.02 -0.04 6.85 6.65 2ywbD1 PRO 319 HA -0.18 0.04 0.41 -0.51 4.44 4.20 2ywbD1 PRO 319 HB2 0.01 0.00 0.00 -0.04 2.28 2.26 2ywbD1 PRO 319 HB3 0.02 0.05 0.06 -0.04 2.02 2.11 2ywbD1 PRO 319 HG2 0.12 -0.03 0.06 -0.04 2.03 2.14 2ywbD1 PRO 319 HG3 0.09 0.04 0.03 -0.04 2.03 2.15 2ywbD1 PRO 319 HD2 -0.02 0.02 -0.13 -0.04 3.68 3.51 2ywbD1 PRO 319 HD3 -0.28 0.11 0.03 -0.04 3.65 3.47 2ywbD1 ASP 320 H -0.02 0.26 -0.24 -0.55 8.40 7.85 2ywbD1 ASP 320 HA -0.02 0.04 0.42 -0.75 4.63 4.32 2ywbD1 ASP 320 HB2 0.02 0.17 0.13 -0.04 2.71 2.99 2ywbD1 ASP 320 HB3 0.01 -0.01 0.02 -0.04 2.70 2.68 2ywbD1 VAL 321 H -0.03 0.26 -0.19 -0.55 8.24 7.73 2ywbD1 VAL 321 HA -0.00 -0.01 0.43 -0.75 4.13 3.79 2ywbD1 VAL 321 HB 0.09 0.13 0.15 -0.04 2.12 2.46 2ywbD1 VAL 321 HG13 0.08 -0.03 -0.06 -0.04 0.97 0.93 2ywbD1 VAL 321 HG23 0.08 -0.03 -0.05 -0.04 0.95 0.91 2ywbD1 ILE 322 H -0.20 0.28 -0.50 -0.55 8.25 7.28 2ywbD1 ILE 322 HA -0.17 0.14 0.50 -0.75 4.18 3.88 2ywbD1 ILE 322 HB -0.23 0.08 0.11 -0.04 1.89 1.81 2ywbD1 ILE 322 HG12 -0.63 -0.00 -0.10 -0.04 1.49 0.72 2ywbD1 ILE 322 HG13 -0.86 0.29 -0.09 -0.04 1.21 0.51 2ywbD1 ILE 322 HG23 -0.15 -0.04 0.00 -0.04 0.93 0.70 2ywbD1 ILE 322 HD13 -0.73 -0.05 -0.10 -0.04 0.88 -0.04 2ywbD1 LEU 346 HA 0.03 0.00 0.22 -0.75 4.35 3.85 2ywbD1 LEU 346 HB2 0.02 -0.10 0.07 -0.04 1.64 1.59 2ywbD1 LEU 346 HB3 -0.00 0.02 -0.05 -0.04 1.64 1.57 2ywbD1 LEU 346 HG 0.05 -0.02 0.04 -0.04 1.64 1.67 2ywbD1 LEU 346 HD13 0.02 -0.01 0.00 -0.04 0.93 0.90 2ywbD1 LEU 346 HD23 0.02 0.00 0.03 -0.04 0.89 0.91 2ywbD1 GLU 347 H -0.01 0.09 0.08 -0.55 8.60 8.22 2ywbD1 GLU 347 HA -0.23 0.05 0.43 -0.75 4.29 3.79 2ywbD1 GLU 347 HB2 -0.39 -0.03 0.09 -0.04 2.09 1.71 2ywbD1 GLU 347 HB3 -1.01 0.03 0.02 -0.04 1.99 0.99 2ywbD1 GLU 347 HG2 -0.11 -0.04 0.03 -0.04 2.34 2.17 2ywbD1 GLU 347 HG3 -0.15 -0.02 0.02 -0.04 2.34 2.14 2ywbD1 PHE 348 H 0.16 0.12 -0.30 -0.55 8.34 7.77 2ywbD1 PHE 348 HA -0.00 0.33 0.89 -0.75 4.62 5.08 2ywbD1 PHE 348 HB2 0.07 -0.07 -0.22 -0.04 3.15 2.89 2ywbD1 PHE 348 HB3 0.07 0.01 -0.26 -0.04 3.06 2.84 2ywbD1 PHE 348 HD2 0.09 0.12 -0.14 -0.04 7.28 7.31 2ywbD1 PHE 348 HE2 0.10 -0.03 -0.05 -0.04 7.38 7.35 2ywbD1 PHE 348 HZ -0.01 -0.03 -0.07 -0.04 7.32 7.18 2ywbD1 GLU 349 H 0.12 0.46 0.28 -0.55 8.60 8.91 2ywbD1 GLU 349 HA 0.10 0.09 0.75 -0.75 4.29 4.48 2ywbD1 GLU 349 HB2 -0.23 0.28 0.24 -0.04 2.09 2.34 2ywbD1 GLU 349 HB3 0.27 -0.03 -0.02 -0.04 1.99 2.17 2ywbD1 GLU 349 HG2 -0.01 0.01 0.03 -0.04 2.34 2.33 2ywbD1 GLU 349 HG3 0.00 0.00 0.02 -0.04 2.34 2.33 2ywbD1 LEU 350 H 0.14 0.13 0.14 -0.55 8.37 8.22 2ywbD1 LEU 350 HA 0.13 0.19 0.65 -0.75 4.35 4.57 2ywbD1 LEU 350 HB2 0.09 -0.01 0.15 -0.04 1.64 1.82 2ywbD1 LEU 350 HB3 0.07 -0.04 -0.11 -0.04 1.64 1.51 2ywbD1 LEU 350 HG 0.09 0.06 -0.02 -0.04 1.64 1.73 2ywbD1 LEU 350 HD13 0.06 -0.01 -0.06 -0.04 0.93 0.88 2ywbD1 LEU 350 HD23 0.07 0.00 -0.09 -0.04 0.89 0.83 2ywbD1 LEU 351 H 0.07 0.75 0.35 -0.55 8.37 8.99 2ywbD1 LEU 351 HA -0.02 0.14 0.84 -0.75 4.35 4.56 2ywbD1 LEU 351 HB2 -0.05 0.05 -0.15 -0.04 1.64 1.46 2ywbD1 LEU 351 HB3 -0.02 -0.05 0.02 -0.04 1.64 1.55 2ywbD1 LEU 351 HG -0.14 -0.07 -0.09 -0.04 1.64 1.30 2ywbD1 LEU 351 HD13 -0.16 -0.00 -0.03 -0.04 0.93 0.69 2ywbD1 LEU 351 HD23 -0.30 0.02 -0.09 -0.04 0.89 0.48 2ywbD1 GLU 352 H -0.03 0.24 -0.04 -0.55 8.60 8.23 2ywbD1 GLU 352 HA -0.11 0.33 0.93 -0.75 4.29 4.68 2ywbD1 GLU 352 HB2 -0.00 -0.04 0.08 -0.04 2.09 2.10 2ywbD1 GLU 352 HB3 -0.01 -0.02 -0.10 -0.04 1.99 1.82 2ywbD1 GLU 352 HG2 0.02 0.05 -0.01 -0.04 2.34 2.36 2ywbD1 GLU 352 HG3 0.03 -0.04 0.10 -0.04 2.34 2.39 2ywbD1 PRO 353 HA -0.03 0.11 0.44 -0.51 4.44 4.46 2ywbD1 PRO 353 HB2 -0.10 0.04 0.00 -0.04 2.28 2.18 2ywbD1 PRO 353 HB3 -0.13 0.06 0.07 -0.04 2.02 1.98 2ywbD1 PRO 353 HG2 -1.08 0.00 -0.02 -0.04 2.03 0.89 2ywbD1 PRO 353 HG3 -0.42 0.10 -0.02 -0.04 2.03 1.64 2ywbD1 PRO 353 HD2 -0.31 0.25 0.12 -0.04 3.68 3.69 2ywbD1 PRO 353 HD3 -0.20 0.11 -0.13 -0.04 3.65 3.40 2ywbD1 PHE 354 H -0.10 0.16 -0.31 -0.55 8.34 7.53 2ywbD1 PHE 354 HA 0.05 0.18 0.77 -0.75 4.62 4.86 2ywbD1 PHE 354 HB2 0.03 0.16 -0.11 -0.04 3.15 3.19 2ywbD1 PHE 354 HB3 0.05 -0.08 0.07 -0.04 3.06 3.05 2ywbD1 PHE 354 HD2 0.02 0.04 -0.26 -0.04 7.28 7.05 2ywbD1 PHE 354 HE2 0.00 0.06 -0.13 -0.04 7.38 7.26 2ywbD1 PHE 354 HZ -0.01 0.11 -0.32 -0.04 7.32 7.07 2ywbD1 ARG 355 H 0.10 0.32 -0.31 -0.55 8.46 8.02 2ywbD1 ARG 355 HA 0.11 0.05 -0.09 -0.75 4.34 3.65 2ywbD1 ARG 355 HB2 0.09 -0.03 -0.05 -0.04 1.90 1.86 2ywbD1 ARG 355 HB3 0.06 0.01 0.01 -0.04 1.80 1.84 2ywbD1 ARG 355 HG2 0.06 0.06 -0.01 -0.04 1.67 1.73 2ywbD1 ARG 355 HG3 0.07 -0.01 -0.23 -0.04 1.67 1.45 2ywbD1 ARG 355 HD2 0.04 0.03 0.02 -0.04 3.22 3.27 2ywbD1 ARG 355 HD3 0.05 -0.00 -0.04 -0.04 3.22 3.18 2ywbD1 LEU 356 H 0.10 0.14 -0.52 -0.55 8.37 7.54 2ywbD1 LEU 356 HA -0.30 0.19 0.88 -0.75 4.35 4.37 2ywbD1 LEU 356 HB2 0.08 0.02 -0.00 -0.04 1.64 1.70 2ywbD1 LEU 356 HB3 -0.07 0.03 0.16 -0.04 1.64 1.71 2ywbD1 LEU 356 HG 0.04 -0.05 -0.16 -0.04 1.64 1.43 2ywbD1 LEU 356 HD13 0.07 0.01 -0.03 -0.04 0.93 0.94 2ywbD1 LEU 356 HD23 -0.03 0.03 -0.10 -0.04 0.89 0.75 2ywbD1 LEU 357 H 0.09 0.68 -0.07 -0.55 8.37 8.53 2ywbD1 LEU 357 HA 0.15 0.21 1.01 -0.75 4.35 4.97 2ywbD1 LEU 357 HB2 0.11 0.11 0.13 -0.04 1.64 1.95 2ywbD1 LEU 357 HB3 0.10 0.02 0.01 -0.04 1.64 1.73 2ywbD1 LEU 357 HG 0.35 0.01 -0.06 -0.04 1.64 1.90 2ywbD1 LEU 357 HD13 0.27 -0.00 -0.25 -0.04 0.93 0.91 2ywbD1 LEU 357 HD23 -0.05 -0.01 -0.11 -0.04 0.89 0.68 2ywbD1 PHE 358 H 0.31 0.15 0.19 -0.55 8.34 8.44 2ywbD1 PHE 358 HA 0.07 0.14 0.71 -0.75 4.62 4.78 2ywbD1 PHE 358 HB2 0.05 0.00 0.12 -0.04 3.15 3.28 2ywbD1 PHE 358 HB3 -0.04 -0.08 0.12 -0.04 3.06 3.02 2ywbD1 PHE 358 HD2 -0.01 -0.01 0.04 -0.04 7.28 7.26 2ywbD1 PHE 358 HE2 -0.05 0.04 -0.12 -0.04 7.38 7.22 2ywbD1 PHE 358 HZ 0.00 0.06 -0.05 -0.04 7.32 7.30 2ywbD1 LYS 359 H 0.18 0.20 0.16 -0.55 8.42 8.41 2ywbD1 LYS 359 HA 0.05 0.11 0.37 -0.75 4.32 4.09 2ywbD1 LYS 359 HB2 0.09 0.04 0.13 -0.04 1.87 2.08 2ywbD1 LYS 359 HB3 0.10 0.00 0.15 -0.04 1.79 2.00 2ywbD1 LYS 359 HG2 0.08 0.09 -0.07 -0.04 1.46 1.51 2ywbD1 LYS 359 HG3 0.05 -0.03 -0.17 -0.04 1.46 1.27 2ywbD1 LYS 359 HD2 0.06 0.03 -0.02 -0.04 1.69 1.72 2ywbD1 LYS 359 HD3 0.06 -0.05 0.01 -0.04 1.68 1.66 2ywbD1 LYS 359 HE2 0.08 -0.01 0.03 -0.04 2.99 3.05 2ywbD1 LYS 359 HE3 0.08 0.07 0.01 -0.04 2.99 3.11 2ywbD1 ASP 360 H 0.09 0.11 -0.10 -0.55 8.40 7.95 2ywbD1 ASP 360 HA 0.04 0.13 0.38 -0.75 4.63 4.42 2ywbD1 ASP 360 HB2 0.04 0.10 0.02 -0.04 2.71 2.82 2ywbD1 ASP 360 HB3 0.05 0.04 0.08 -0.04 2.70 2.82 2ywbD1 GLU 361 H 0.12 0.10 -0.40 -0.55 8.60 7.88 2ywbD1 GLU 361 HA 0.03 0.10 0.40 -0.75 4.29 4.07 2ywbD1 GLU 361 HB2 0.15 0.11 0.08 -0.04 2.09 2.40 2ywbD1 GLU 361 HB3 0.13 0.05 0.04 -0.04 1.99 2.17 2ywbD1 GLU 361 HG2 0.29 0.10 -0.02 -0.04 2.34 2.66 2ywbD1 GLU 361 HG3 0.28 -0.15 0.04 -0.04 2.34 2.47 2ywbD1 VAL 362 H -0.04 0.32 -0.21 -0.55 8.24 7.76 2ywbD1 VAL 362 HA -0.35 0.06 0.44 -0.75 4.13 3.53 2ywbD1 VAL 362 HB -0.11 0.11 0.11 -0.04 2.12 2.19 2ywbD1 VAL 362 HG13 -0.40 -0.01 -0.10 -0.04 0.97 0.41 2ywbD1 VAL 362 HG23 -0.33 0.04 -0.06 -0.04 0.95 0.57 2ywbD1 ARG 363 H -0.03 0.47 -0.14 -0.55 8.46 8.20 2ywbD1 ARG 363 HA -0.03 0.03 0.41 -0.75 4.34 4.00 2ywbD1 ARG 363 HB2 0.00 0.15 0.15 -0.04 1.90 2.16 2ywbD1 ARG 363 HB3 0.00 0.01 0.02 -0.04 1.80 1.80 2ywbD1 ARG 363 HG2 0.02 0.06 0.08 -0.04 1.67 1.78 2ywbD1 ARG 363 HG3 0.02 -0.00 0.00 -0.04 1.67 1.65 2ywbD1 ARG 363 HD2 0.04 -0.05 0.00 -0.04 3.22 3.17 2ywbD1 ARG 363 HD3 0.04 0.12 0.05 -0.04 3.22 3.39 2ywbD1 GLU 364 H -0.05 0.29 -0.45 -0.55 8.60 7.85 2ywbD1 GLU 364 HA -0.04 0.06 0.48 -0.75 4.29 4.04 2ywbD1 GLU 364 HB2 -0.06 0.10 0.20 -0.04 2.09 2.29 2ywbD1 GLU 364 HB3 -0.09 -0.04 -0.03 -0.04 1.99 1.79 2ywbD1 GLU 364 HG2 -0.02 0.03 0.01 -0.04 2.34 2.32 2ywbD1 GLU 364 HG3 -0.04 -0.00 0.02 -0.04 2.34 2.27 2ywbD1 LEU 365 H -0.11 0.40 -0.11 -0.55 8.37 8.01 2ywbD1 LEU 365 HA -0.08 0.02 0.45 -0.75 4.35 3.99 2ywbD1 LEU 365 HB2 -0.19 0.11 0.15 -0.04 1.64 1.68 2ywbD1 LEU 365 HB3 -0.08 0.00 -0.01 -0.04 1.64 1.51 2ywbD1 LEU 365 HG -0.16 0.16 0.06 -0.04 1.64 1.65 2ywbD1 LEU 365 HD13 -0.20 -0.02 -0.08 -0.04 0.93 0.59 2ywbD1 LEU 365 HD23 -0.11 -0.03 0.00 -0.04 0.89 0.71 2ywbD1 ALA 366 H -0.07 0.49 -0.29 -0.55 8.40 7.99 2ywbD1 ALA 366 HA -0.02 0.04 0.34 -0.75 4.34 3.95 2ywbD1 ALA 366 HB3 -0.02 0.05 0.06 -0.04 1.41 1.45 2ywbD1 LEU 367 H -0.04 0.29 -0.46 -0.55 8.37 7.62 2ywbD1 LEU 367 HA -0.02 0.08 0.40 -0.75 4.35 4.05 2ywbD1 LEU 367 HB2 -0.03 0.07 0.17 -0.04 1.64 1.81 2ywbD1 LEU 367 HB3 -0.03 0.09 0.10 -0.04 1.64 1.76 2ywbD1 LEU 367 HG -0.02 -0.03 0.02 -0.04 1.64 1.57 2ywbD1 LEU 367 HD13 -0.02 -0.01 0.00 -0.04 0.93 0.86 2ywbD1 LEU 367 HD23 -0.02 -0.01 -0.06 -0.04 0.89 0.75 2ywbD1 LEU 368 H -0.04 0.37 -0.12 -0.55 8.37 8.03 2ywbD1 LEU 368 HA -0.03 0.02 0.43 -0.75 4.35 4.01 2ywbD1 LEU 368 HB2 -0.05 0.06 0.15 -0.04 1.64 1.77 2ywbD1 LEU 368 HB3 -0.04 0.00 0.00 -0.04 1.64 1.56 2ywbD1 LEU 368 HG -0.04 -0.02 0.02 -0.04 1.64 1.56 2ywbD1 LEU 368 HD13 -0.05 0.04 -0.02 -0.04 0.93 0.85 2ywbD1 LEU 368 HD23 -0.07 -0.04 -0.20 -0.04 0.89 0.54 2ywbD1 LEU 369 H -0.02 0.26 -0.57 -0.55 8.37 7.49 2ywbD1 LEU 369 HA -0.01 0.17 0.75 -0.75 4.35 4.51 2ywbD1 LEU 369 HB2 -0.00 -0.03 0.03 -0.04 1.64 1.60 2ywbD1 LEU 369 HB3 -0.00 -0.02 0.08 -0.04 1.64 1.66 2ywbD1 LEU 369 HG -0.01 -0.01 -0.16 -0.04 1.64 1.42 2ywbD1 LEU 369 HD13 0.04 -0.05 -0.17 -0.04 0.93 0.70 2ywbD1 LEU 369 HD23 -0.00 0.03 -0.10 -0.04 0.89 0.77 2ywbD1 GLY 370 H -0.02 0.37 -0.46 -0.55 8.43 7.78 2ywbD1 GLY 370 HA2 -0.01 -0.01 0.22 -0.51 4.01 3.70 2ywbD1 GLY 370 HA3 -0.01 0.07 0.33 -0.51 4.01 3.89 2ywbD1 LEU 371 H -0.01 0.53 -0.14 -0.55 8.37 8.21 2ywbD1 LEU 371 HA -0.01 0.10 0.43 -0.75 4.35 4.11 2ywbD1 LEU 371 HB2 -0.00 0.03 -0.04 -0.04 1.64 1.58 2ywbD1 LEU 371 HB3 -0.01 -0.06 -0.10 -0.04 1.64 1.43 2ywbD1 LEU 371 HG -0.01 0.01 -0.34 -0.04 1.64 1.25 2ywbD1 LEU 371 HD13 -0.00 0.00 -0.13 -0.04 0.93 0.76 2ywbD1 LEU 371 HD23 0.00 0.00 -0.18 -0.04 0.89 0.67 2ywbD1 PRO 372 HA -0.02 0.10 0.47 -0.51 4.44 4.48 2ywbD1 PRO 372 HB2 -0.03 -0.13 0.03 -0.04 2.28 2.10 2ywbD1 PRO 372 HB3 -0.02 0.14 0.10 -0.04 2.02 2.20 2ywbD1 PRO 372 HG2 -0.03 -0.16 0.06 -0.04 2.03 1.86 2ywbD1 PRO 372 HG3 -0.03 0.08 0.06 -0.04 2.03 2.11 2ywbD1 PRO 372 HD2 -0.02 0.04 0.16 -0.04 3.68 3.83 2ywbD1 PRO 372 HD3 -0.02 0.36 0.23 -0.04 3.65 4.18 2ywbD1 ASP 373 H -0.02 0.21 0.14 -0.55 8.40 8.17 2ywbD1 ASP 373 HA -0.02 0.08 0.28 -0.75 4.63 4.21 2ywbD1 ASP 373 HB2 -0.03 -0.01 0.09 -0.04 2.71 2.72 2ywbD1 ASP 373 HB3 -0.03 0.03 -0.02 -0.04 2.70 2.64 2ywbD1 THR 374 H -0.04 0.06 -0.51 -0.55 8.28 7.25 2ywbD1 THR 374 HA -0.07 0.06 0.30 -0.75 4.39 3.93 2ywbD1 THR 374 HB -0.06 0.02 -0.06 -0.04 4.32 4.17 2ywbD1 THR 374 HG23 -0.05 -0.00 -0.01 -0.04 1.22 1.11 2ywbD1 LEU 375 H -0.03 0.56 -0.24 -0.55 8.37 8.12 2ywbD1 LEU 375 HA -0.03 0.18 0.87 -0.75 4.35 4.62 2ywbD1 LEU 375 HB2 -0.02 0.08 -0.07 -0.04 1.64 1.59 2ywbD1 LEU 375 HB3 -0.01 -0.00 0.06 -0.04 1.64 1.65 2ywbD1 LEU 375 HG -0.04 -0.10 -0.32 -0.04 1.64 1.13 2ywbD1 LEU 375 HD13 -0.04 0.02 -0.13 -0.04 0.93 0.75 2ywbD1 LEU 375 HD23 -0.04 0.02 -0.13 -0.04 0.89 0.69 2ywbD1 ARG 376 H -0.02 0.23 -0.26 -0.55 8.46 7.86 2ywbD1 ARG 376 HA 0.01 0.12 0.78 -0.75 4.34 4.49 2ywbD1 ARG 376 HB2 -0.01 0.08 -0.33 -0.04 1.90 1.60 2ywbD1 ARG 376 HB3 -0.01 -0.04 -0.11 -0.04 1.80 1.60 2ywbD1 ARG 376 HG2 -0.00 -0.03 -0.09 -0.04 1.67 1.50 2ywbD1 ARG 376 HG3 -0.01 -0.07 0.02 -0.04 1.67 1.57 2ywbD1 ARG 376 HD2 -0.02 0.08 -0.10 -0.04 3.22 3.14 2ywbD1 ARG 376 HD3 -0.01 0.20 -0.28 -0.04 3.22 3.08 2ywbD1 LEU 377 H -0.01 0.33 -0.05 -0.55 8.37 8.09 2ywbD1 LEU 377 HA 0.04 0.22 0.85 -0.75 4.35 4.70 2ywbD1 LEU 377 HB2 0.01 0.03 0.06 -0.04 1.64 1.70 2ywbD1 LEU 377 HB3 0.04 0.01 0.13 -0.04 1.64 1.78 2ywbD1 LEU 377 HG 0.00 -0.10 -0.13 -0.04 1.64 1.37 2ywbD1 LEU 377 HD13 0.00 -0.00 -0.02 -0.04 0.93 0.87 2ywbD1 LEU 377 HD23 0.02 0.06 -0.17 -0.04 0.89 0.75 2ywbD1 ARG 378 H 0.03 0.07 -0.40 -0.55 8.46 7.61 2ywbD1 ARG 378 HA 0.11 0.10 0.57 -0.75 4.34 4.37 2ywbD1 ARG 378 HB2 0.04 -0.04 -0.05 -0.04 1.90 1.82 2ywbD1 ARG 378 HB3 0.05 0.00 0.05 -0.04 1.80 1.87 2ywbD1 ARG 378 HG2 -0.09 0.01 -0.03 -0.04 1.67 1.52 2ywbD1 ARG 378 HG3 -0.02 -0.13 -0.13 -0.04 1.67 1.35 2ywbD1 ARG 378 HD2 -0.06 0.18 0.12 -0.04 3.22 3.42 2ywbD1 ARG 378 HD3 -0.02 -0.02 0.03 -0.04 3.22 3.17 2ywbD1 HIS 379 H 0.05 0.05 0.12 -0.55 8.41 8.08 2ywbD1 HIS 379 HA 0.03 0.16 0.49 -0.75 4.63 4.56 2ywbD1 HIS 379 HB2 0.05 -0.06 0.09 -0.04 3.26 3.30 2ywbD1 HIS 379 HB3 -0.00 0.05 0.17 -0.04 3.20 3.37 2ywbD1 HIS 379 HD2 -0.14 0.04 -0.08 -0.04 6.97 6.74 2ywbD1 HIS 379 HE1 -1.18 -0.12 -0.01 -0.04 7.75 6.40 2ywbD1 PRO 380 HA 0.14 -0.04 0.40 -0.51 4.44 4.43 2ywbD1 PRO 380 HB2 0.08 -0.00 -0.03 -0.04 2.28 2.29 2ywbD1 PRO 380 HB3 0.08 -0.04 0.05 -0.04 2.02 2.07 2ywbD1 PRO 380 HG2 0.08 0.03 0.07 -0.04 2.03 2.16 2ywbD1 PRO 380 HG3 0.10 0.01 0.08 -0.04 2.03 2.18 2ywbD1 PRO 380 HD2 0.09 0.12 0.25 -0.04 3.68 4.10 2ywbD1 PRO 380 HD3 0.15 0.22 0.29 -0.04 3.65 4.26 2ywbD1 PHE 381 H 0.20 0.14 0.12 -0.55 8.34 8.25 2ywbD1 PHE 381 HA 0.05 0.20 0.75 -0.75 4.62 4.86 2ywbD1 PHE 381 HB2 0.07 0.12 -0.17 -0.04 3.15 3.13 2ywbD1 PHE 381 HB3 0.04 -0.08 0.03 -0.04 3.06 3.01 2ywbD1 PHE 381 HD2 0.05 0.05 -0.05 -0.04 7.28 7.29 2ywbD1 PHE 381 HE2 0.05 -0.01 -0.02 -0.04 7.38 7.36 2ywbD1 PHE 381 HZ 0.02 0.04 -0.02 -0.04 7.32 7.32 2ywbD1 PRO 382 HA -0.12 0.03 0.43 -0.51 4.44 4.27 2ywbD1 PRO 382 HB2 -0.20 -0.01 -0.01 -0.04 2.28 2.02 2ywbD1 PRO 382 HB3 -0.15 0.06 0.06 -0.04 2.02 1.95 2ywbD1 PRO 382 HG2 -0.65 -0.02 0.03 -0.04 2.03 1.35 2ywbD1 PRO 382 HG3 -0.30 0.11 -0.01 -0.04 2.03 1.79 2ywbD1 PRO 382 HD2 -1.11 0.11 0.13 -0.04 3.68 2.77 2ywbD1 PRO 382 HD3 -0.22 0.19 0.08 -0.04 3.65 3.66 2ywbD1 GLY 383 H -0.10 0.14 0.17 -0.55 8.43 8.09 2ywbD1 GLY 383 HA2 -0.08 0.08 0.44 -0.51 4.01 3.93 2ywbD1 GLY 383 HA3 -0.13 0.05 0.34 -0.51 4.01 3.76 2ywbD1 PRO 384 HA -0.14 0.09 0.39 -0.51 4.44 4.27 2ywbD1 PRO 384 HB2 -0.12 0.04 -0.12 -0.04 2.28 2.04 2ywbD1 PRO 384 HB3 -0.07 0.03 -0.01 -0.04 2.02 1.93 2ywbD1 PRO 384 HG2 -0.06 0.05 0.01 -0.04 2.03 1.99 2ywbD1 PRO 384 HG3 -0.06 0.07 -0.00 -0.04 2.03 2.00 2ywbD1 PRO 384 HD2 -0.13 0.06 -0.02 -0.04 3.68 3.55 2ywbD1 PRO 384 HD3 -0.10 0.05 0.14 -0.04 3.65 3.69 2ywbD1 GLY 385 H -0.28 0.28 -0.99 -0.55 8.43 6.90 2ywbD1 GLY 385 HA2 -0.90 0.12 0.22 -0.51 4.01 2.94 2ywbD1 GLY 385 HA3 -0.10 0.06 0.27 -0.51 4.01 3.73 2ywbD1 LEU 386 H 0.08 0.69 0.30 -0.55 8.37 8.89 2ywbD1 LEU 386 HA -0.01 0.07 0.41 -0.75 4.35 4.07 2ywbD1 LEU 386 HB2 0.09 0.14 0.10 -0.04 1.64 1.92 2ywbD1 LEU 386 HB3 0.02 -0.02 -0.02 -0.04 1.64 1.57 2ywbD1 LEU 386 HG 0.06 0.01 -0.02 -0.04 1.64 1.64 2ywbD1 LEU 386 HD13 0.35 0.00 -0.10 -0.04 0.93 1.14 2ywbD1 LEU 386 HD23 0.07 0.03 -0.14 -0.04 0.89 0.81 2ywbD1 ALA 387 H -0.11 0.41 -0.23 -0.55 8.40 7.93 2ywbD1 ALA 387 HA -0.03 0.05 0.42 -0.75 4.34 4.02 2ywbD1 ALA 387 HB3 -0.06 0.02 0.06 -0.04 1.41 1.39 2ywbD1 VAL 388 H -0.09 0.32 -0.37 -0.55 8.24 7.55 2ywbD1 VAL 388 HA -0.02 0.17 0.60 -0.75 4.13 4.14 2ywbD1 VAL 388 HB -0.02 -0.02 0.11 -0.04 2.12 2.15 2ywbD1 VAL 388 HG13 -0.04 -0.02 -0.07 -0.04 0.97 0.79 2ywbD1 VAL 388 HG23 -0.11 0.05 -0.15 -0.04 0.95 0.69 2ywbD1 ARG 389 H -0.05 0.41 -0.73 -0.55 8.46 7.54 2ywbD1 ARG 389 HA -0.07 0.11 0.82 -0.75 4.34 4.45 2ywbD1 ARG 389 HB2 -0.04 0.03 0.10 -0.04 1.90 1.95 2ywbD1 ARG 389 HB3 -0.09 0.13 0.30 -0.04 1.80 2.10 2ywbD1 ARG 389 HG2 -0.07 -0.05 -0.09 -0.04 1.67 1.42 2ywbD1 ARG 389 HG3 -0.08 -0.04 -0.35 -0.04 1.67 1.16 2ywbD1 ARG 389 HD2 0.01 -0.03 -0.07 -0.04 3.22 3.10 2ywbD1 ARG 389 HD3 0.01 0.02 0.03 -0.04 3.22 3.23 2ywbD1 VAL 390 H -0.03 0.35 -0.24 -0.55 8.24 7.78 2ywbD1 VAL 390 HA -0.05 0.13 0.92 -0.75 4.13 4.37 2ywbD1 VAL 390 HB -0.02 0.10 0.13 -0.04 2.12 2.30 2ywbD1 VAL 390 HG13 -0.01 -0.03 -0.26 -0.04 0.97 0.64 2ywbD1 VAL 390 HG23 -0.05 0.01 -0.11 -0.04 0.95 0.76 2ywbD1 LEU 391 H 0.00 0.67 0.14 -0.55 8.37 8.64 2ywbD1 LEU 391 HA 0.06 0.06 0.56 -0.75 4.35 4.28 2ywbD1 LEU 391 HB2 0.06 0.11 0.20 -0.04 1.64 1.97 2ywbD1 LEU 391 HB3 0.09 -0.02 0.27 -0.04 1.64 1.94 2ywbD1 LEU 391 HG 0.15 -0.00 -0.00 -0.04 1.64 1.75 2ywbD1 LEU 391 HD13 0.18 0.01 -0.21 -0.04 0.93 0.86 2ywbD1 LEU 391 HD23 0.31 -0.01 -0.05 -0.04 0.89 1.10 2ywbD1 GLY 392 H 0.03 0.57 0.19 -0.55 8.43 8.68 2ywbD1 GLY 392 HA2 0.04 -0.03 0.32 -0.51 4.01 3.83 2ywbD1 GLY 392 HA3 0.05 0.11 0.76 -0.51 4.01 4.42 2ywbD1 GLU 393 H 0.04 0.06 0.08 -0.55 8.60 8.22 2ywbD1 GLU 393 HA 0.02 0.35 0.41 -0.75 4.29 4.33 2ywbD1 GLU 393 HB2 0.03 -0.00 0.02 -0.04 2.09 2.09 2ywbD1 GLU 393 HB3 0.03 -0.05 0.01 -0.04 1.99 1.94 2ywbD1 GLU 393 HG2 0.03 0.19 -0.09 -0.04 2.34 2.42 2ywbD1 GLU 393 HG3 0.02 -0.06 0.02 -0.04 2.34 2.28 2ywbD1 VAL 394 H 0.02 0.26 0.21 -0.55 8.24 8.18 2ywbD1 VAL 394 HA 0.01 0.08 0.64 -0.75 4.13 4.12 2ywbD1 VAL 394 HB 0.02 0.01 0.17 -0.04 2.12 2.28 2ywbD1 VAL 394 HG13 0.01 -0.03 -0.17 -0.04 0.97 0.73 2ywbD1 VAL 394 HG23 0.00 0.03 0.11 -0.04 0.95 1.05 2ywbD1 THR 395 H 0.01 0.22 0.21 -0.55 8.28 8.17 2ywbD1 THR 395 HA 0.03 0.24 0.84 -0.75 4.39 4.74 2ywbD1 THR 395 HB 0.03 -0.05 0.10 -0.04 4.32 4.36 2ywbD1 THR 395 HG23 0.04 0.08 -0.20 -0.04 1.22 1.09 2ywbD1 GLU 396 H 0.03 0.23 0.13 -0.55 8.60 8.44 2ywbD1 GLU 396 HA 0.02 0.12 0.37 -0.75 4.29 4.04 2ywbD1 GLU 396 HB2 0.03 0.05 0.13 -0.04 2.09 2.25 2ywbD1 GLU 396 HB3 0.02 0.01 0.08 -0.04 1.99 2.06 2ywbD1 GLU 396 HG2 0.03 0.03 -0.00 -0.04 2.34 2.35 2ywbD1 GLU 396 HG3 0.02 0.00 -0.08 -0.04 2.34 2.24 2ywbD1 GLU 397 H 0.02 0.09 -0.22 -0.55 8.60 7.95 2ywbD1 GLU 397 HA 0.01 0.10 0.39 -0.75 4.29 4.03 2ywbD1 GLU 397 HB2 0.03 0.01 0.08 -0.04 2.09 2.16 2ywbD1 GLU 397 HB3 0.04 -0.01 0.03 -0.04 1.99 2.01 2ywbD1 GLU 397 HG2 0.05 0.02 -0.19 -0.04 2.34 2.18 2ywbD1 GLU 397 HG3 0.03 0.01 0.02 -0.04 2.34 2.36 2ywbD1 ARG 398 H -0.00 0.10 -0.22 -0.55 8.46 7.79 2ywbD1 ARG 398 HA -0.20 0.09 0.46 -0.75 4.34 3.94 2ywbD1 ARG 398 HB2 -0.02 -0.04 0.16 -0.04 1.90 1.96 2ywbD1 ARG 398 HB3 -0.11 0.06 0.02 -0.04 1.80 1.72 2ywbD1 ARG 398 HG2 -0.04 0.05 -0.03 -0.04 1.67 1.61 2ywbD1 ARG 398 HG3 0.06 -0.13 0.01 -0.04 1.67 1.57 2ywbD1 ARG 398 HD2 0.06 0.10 0.06 -0.04 3.22 3.40 2ywbD1 ARG 398 HD3 0.06 0.05 -0.05 -0.04 3.22 3.24 2ywbD1 LEU 399 H -0.02 0.44 -0.16 -0.55 8.37 8.08 2ywbD1 LEU 399 HA -0.03 0.07 0.44 -0.75 4.35 4.07 2ywbD1 LEU 399 HB2 0.00 0.06 0.14 -0.04 1.64 1.81 2ywbD1 LEU 399 HB3 0.01 0.01 -0.00 -0.04 1.64 1.61 2ywbD1 LEU 399 HG -0.00 0.03 -0.10 -0.04 1.64 1.53 2ywbD1 LEU 399 HD13 0.02 0.03 -0.08 -0.04 0.93 0.86 2ywbD1 LEU 399 HD23 -0.01 -0.00 -0.09 -0.04 0.89 0.75 2ywbD1 GLU 400 H -0.02 0.48 -0.19 -0.55 8.60 8.32 2ywbD1 GLU 400 HA -0.01 0.02 0.48 -0.75 4.29 4.02 2ywbD1 GLU 400 HB2 -0.01 0.12 0.15 -0.04 2.09 2.31 2ywbD1 GLU 400 HB3 -0.01 -0.02 0.01 -0.04 1.99 1.94 2ywbD1 GLU 400 HG2 0.01 -0.05 0.02 -0.04 2.34 2.27 2ywbD1 GLU 400 HG3 0.01 0.09 0.05 -0.04 2.34 2.44 2ywbD1 ILE 401 H -0.08 0.37 -0.19 -0.55 8.25 7.81 2ywbD1 ILE 401 HA -0.05 0.07 0.49 -0.75 4.18 3.94 2ywbD1 ILE 401 HB -0.24 0.05 0.15 -0.04 1.89 1.81 2ywbD1 ILE 401 HG12 -0.04 -0.04 0.00 -0.04 1.49 1.37 2ywbD1 ILE 401 HG13 -0.05 0.07 0.05 -0.04 1.21 1.23 2ywbD1 ILE 401 HG23 -0.18 0.00 -0.23 -0.04 0.93 0.48 2ywbD1 ILE 401 HD13 -0.07 -0.01 -0.09 -0.04 0.88 0.67 2ywbD1 LEU 402 H -0.11 0.59 -0.07 -0.55 8.37 8.23 2ywbD1 LEU 402 HA -0.09 0.02 0.36 -0.75 4.35 3.88 2ywbD1 LEU 402 HB2 -0.12 0.03 0.10 -0.04 1.64 1.61 2ywbD1 LEU 402 HB3 -0.06 0.07 0.15 -0.04 1.64 1.76 2ywbD1 LEU 402 HG -0.01 -0.07 -0.24 -0.04 1.64 1.29 2ywbD1 LEU 402 HD13 -0.07 0.02 -0.05 -0.04 0.93 0.79 2ywbD1 LEU 402 HD23 -0.05 0.01 -0.03 -0.04 0.89 0.77 2ywbD1 ARG 403 H -0.02 0.60 -0.21 -0.55 8.46 8.28 2ywbD1 ARG 403 HA 0.02 -0.04 0.40 -0.75 4.34 3.96 2ywbD1 ARG 403 HB2 0.01 0.27 0.17 -0.04 1.90 2.30 2ywbD1 ARG 403 HB3 -0.00 0.06 0.13 -0.04 1.80 1.95 2ywbD1 ARG 403 HG2 0.00 -0.05 -0.07 -0.04 1.67 1.51 2ywbD1 ARG 403 HG3 0.01 -0.14 0.09 -0.04 1.67 1.58 2ywbD1 ARG 403 HD2 0.01 0.03 -0.05 -0.04 3.22 3.17 2ywbD1 ARG 403 HD3 0.01 -0.17 -0.09 -0.04 3.22 2.93 2ywbD1 ARG 404 H -0.02 0.45 -0.34 -0.55 8.46 8.00 2ywbD1 ARG 404 HA 0.00 -0.01 0.49 -0.75 4.34 4.07 2ywbD1 ARG 404 HB2 -0.02 0.13 0.15 -0.04 1.90 2.12 2ywbD1 ARG 404 HB3 -0.01 -0.02 0.02 -0.04 1.80 1.76 2ywbD1 ARG 404 HG2 -0.00 -0.15 0.05 -0.04 1.67 1.53 2ywbD1 ARG 404 HG3 -0.01 0.40 0.18 -0.04 1.67 2.20 2ywbD1 ARG 404 HD2 -0.00 -0.04 0.03 -0.04 3.22 3.16 2ywbD1 ARG 404 HD3 -0.00 -0.06 0.03 -0.04 3.22 3.14 2ywbD1 ALA 405 H -0.02 0.54 -0.03 -0.55 8.40 8.34 2ywbD1 ALA 405 HA -0.01 0.04 0.37 -0.75 4.34 3.98 2ywbD1 ALA 405 HB3 -0.05 0.03 0.05 -0.04 1.41 1.39 2ywbD1 ASP 406 H 0.02 0.75 -0.16 -0.55 8.40 8.46 2ywbD1 ASP 406 HA 0.16 -0.02 0.37 -0.75 4.63 4.39 2ywbD1 ASP 406 HB2 0.07 0.03 0.09 -0.04 2.71 2.86 2ywbD1 ASP 406 HB3 0.05 0.11 0.14 -0.04 2.70 2.96 2ywbD1 ASP 407 H 0.04 0.47 -0.22 -0.55 8.40 8.14 2ywbD1 ASP 407 HA 0.03 -0.02 0.45 -0.75 4.63 4.33 2ywbD1 ASP 407 HB2 0.01 -0.03 0.20 -0.04 2.71 2.84 2ywbD1 ASP 407 HB3 0.01 0.18 0.24 -0.04 2.70 3.10 2ywbD1 ILE 408 H 0.05 0.63 -0.12 -0.55 8.25 8.26 2ywbD1 ILE 408 HA 0.04 -0.01 0.40 -0.75 4.18 3.85 2ywbD1 ILE 408 HB 0.03 0.16 0.13 -0.04 1.89 2.18 2ywbD1 ILE 408 HG12 0.01 -0.06 -0.01 -0.04 1.49 1.38 2ywbD1 ILE 408 HG13 0.01 0.14 0.05 -0.04 1.21 1.38 2ywbD1 ILE 408 HG23 0.01 -0.02 -0.18 -0.04 0.93 0.69 2ywbD1 ILE 408 HD13 -0.01 0.00 -0.14 -0.04 0.88 0.70 2ywbD1 PHE 409 H 0.21 0.56 -0.17 -0.55 8.34 8.39 2ywbD1 PHE 409 HA 0.01 -0.01 0.36 -0.75 4.62 4.22 2ywbD1 PHE 409 HB2 0.01 0.07 0.06 -0.04 3.15 3.25 2ywbD1 PHE 409 HB3 0.05 0.13 0.11 -0.04 3.06 3.31 2ywbD1 PHE 409 HD2 0.06 -0.01 -0.11 -0.04 7.28 7.17 2ywbD1 PHE 409 HE2 0.19 0.02 -0.09 -0.04 7.38 7.45 2ywbD1 PHE 409 HZ 0.21 -0.02 -0.14 -0.04 7.32 7.33 2ywbD1 THR 410 H 0.13 0.60 -0.10 -0.55 8.28 8.36 2ywbD1 THR 410 HA -0.03 0.00 0.39 -0.75 4.39 4.00 2ywbD1 THR 410 HB 0.02 0.10 0.15 -0.04 4.32 4.55 2ywbD1 THR 410 HG23 -0.07 -0.02 -0.10 -0.04 1.22 0.98 2ywbD1 SER 411 H 0.03 0.59 -0.17 -0.55 8.46 8.37 2ywbD1 SER 411 HA -0.03 0.01 0.48 -0.75 4.49 4.20 2ywbD1 SER 411 HB2 0.03 0.12 0.17 -0.04 3.95 4.23 2ywbD1 SER 411 HB3 0.02 -0.06 0.00 -0.04 3.93 3.85 2ywbD1 LEU 412 H 0.08 0.68 -0.07 -0.55 8.37 8.51 2ywbD1 LEU 412 HA 0.11 0.00 0.42 -0.75 4.35 4.14 2ywbD1 LEU 412 HB2 0.09 0.16 0.15 -0.04 1.64 2.00 2ywbD1 LEU 412 HB3 0.03 -0.07 -0.04 -0.04 1.64 1.51 2ywbD1 LEU 412 HG 0.01 0.05 0.04 -0.04 1.64 1.70 2ywbD1 LEU 412 HD13 -0.15 -0.01 -0.13 -0.04 0.93 0.59 2ywbD1 LEU 412 HD23 -0.03 -0.02 -0.01 -0.04 0.89 0.79 2ywbD1 LEU 413 H 0.10 0.54 -0.28 -0.55 8.37 8.18 2ywbD1 LEU 413 HA -0.20 -0.01 0.36 -0.75 4.35 3.74 2ywbD1 LEU 413 HB2 0.04 0.20 0.17 -0.04 1.64 2.02 2ywbD1 LEU 413 HB3 0.06 -0.14 -0.06 -0.04 1.64 1.46 2ywbD1 LEU 413 HG -0.19 0.13 -0.02 -0.04 1.64 1.52 2ywbD1 LEU 413 HD13 -0.55 -0.01 -0.12 -0.04 0.93 0.21 2ywbD1 LEU 413 HD23 -0.37 -0.02 -0.16 -0.04 0.89 0.30 2ywbD1 ARG 414 H 0.03 0.56 -0.15 -0.55 8.46 8.35 2ywbD1 ARG 414 HA 0.04 -0.08 0.47 -0.75 4.34 4.01 2ywbD1 ARG 414 HB2 -0.05 0.13 0.21 -0.04 1.90 2.15 2ywbD1 ARG 414 HB3 -0.07 -0.02 0.02 -0.04 1.80 1.69 2ywbD1 ARG 414 HG2 -0.37 -0.06 0.02 -0.04 1.67 1.22 2ywbD1 ARG 414 HG3 -0.29 0.17 0.11 -0.04 1.67 1.61 2ywbD1 ARG 414 HD2 -0.20 -0.00 -0.03 -0.04 3.22 2.94 2ywbD1 ARG 414 HD3 -0.23 -0.03 -0.01 -0.04 3.22 2.91 2ywbD1 GLU 415 H 0.11 0.73 -0.02 -0.55 8.60 8.88 2ywbD1 GLU 415 HA 0.11 0.00 0.36 -0.75 4.29 4.01 2ywbD1 GLU 415 HB2 0.15 -0.00 0.10 -0.04 2.09 2.30 2ywbD1 GLU 415 HB3 0.31 0.08 0.18 -0.04 1.99 2.52 2ywbD1 GLU 415 HG2 0.51 0.00 -0.25 -0.04 2.34 2.56 2ywbD1 GLU 415 HG3 0.17 -0.02 0.03 -0.04 2.34 2.48 2ywbD1 TRP 416 H 0.40 0.43 -0.27 -0.55 7.97 7.99 2ywbD1 TRP 416 HA 0.01 0.12 0.64 -0.75 4.62 4.64 2ywbD1 TRP 416 HB2 -0.09 0.07 0.12 -0.04 3.23 3.29 2ywbD1 TRP 416 HB3 -0.07 -0.05 0.11 -0.04 3.23 3.17 2ywbD1 TRP 416 HD1 0.11 -0.06 -0.21 -0.04 7.22 7.02 2ywbD1 TRP 416 HE1 0.10 -0.01 -0.04 -0.04 10.20 10.21 2ywbD1 TRP 416 HE3 0.03 0.02 0.02 -0.04 7.59 7.62 2ywbD1 TRP 416 HZ2 0.08 0.02 -0.06 -0.04 7.44 7.43 2ywbD1 TRP 416 HZ3 0.13 -0.11 -0.02 -0.04 7.13 7.09 2ywbD1 TRP 416 HH2 0.09 -0.07 -0.18 -0.04 7.19 7.00 2ywbD1 GLY 417 H 0.13 0.44 -0.34 -0.55 8.43 8.11 2ywbD1 GLY 417 HA2 0.05 0.01 0.35 -0.51 4.01 3.91 2ywbD1 GLY 417 HA3 0.04 0.10 0.55 -0.51 4.01 4.19 2ywbD1 LEU 418 H 0.03 0.33 -0.14 -0.55 8.37 8.04 2ywbD1 LEU 418 HA -0.03 0.16 0.59 -0.75 4.35 4.31 2ywbD1 LEU 418 HB2 -0.37 0.01 0.06 -0.04 1.64 1.30 2ywbD1 LEU 418 HB3 -0.24 -0.02 -0.04 -0.04 1.64 1.29 2ywbD1 LEU 418 HG 0.02 0.09 -0.15 -0.04 1.64 1.56 2ywbD1 LEU 418 HD13 -0.63 -0.02 -0.02 -0.04 0.93 0.22 2ywbD1 LEU 418 HD23 -0.03 0.01 -0.05 -0.04 0.89 0.78 2ywbD1 TYR 419 H 0.10 0.35 -0.29 -0.55 8.29 7.90 2ywbD1 TYR 419 HA 0.02 0.03 0.23 -0.75 4.56 4.09 2ywbD1 TYR 419 HB2 -0.07 -0.08 -0.20 -0.04 3.06 2.67 2ywbD1 TYR 419 HB3 -0.06 -0.00 -0.07 -0.04 2.98 2.81 2ywbD1 TYR 419 HD2 -0.14 0.01 -0.14 -0.04 7.15 6.85 2ywbD1 TYR 419 HE2 -0.29 0.13 0.04 -0.04 6.85 6.69 2ywbD1 GLU 420 H 0.14 0.10 -0.36 -0.55 8.60 7.94 2ywbD1 GLU 420 HA 0.12 0.15 0.45 -0.75 4.29 4.26 2ywbD1 GLU 420 HB2 0.06 0.00 0.06 -0.04 2.09 2.16 2ywbD1 GLU 420 HB3 0.10 -0.04 0.03 -0.04 1.99 2.04 2ywbD1 GLU 420 HG2 0.05 0.02 -0.07 -0.04 2.34 2.30 2ywbD1 GLU 420 HG3 0.03 0.06 -0.27 -0.04 2.34 2.11 2ywbD1 LYS 421 H 0.01 0.27 -0.53 -0.55 8.42 7.62 2ywbD1 LYS 421 HA -0.02 0.11 0.66 -0.75 4.32 4.32 2ywbD1 LYS 421 HB2 -0.03 0.05 0.12 -0.04 1.87 1.97 2ywbD1 LYS 421 HB3 -0.04 -0.09 0.14 -0.04 1.79 1.77 2ywbD1 LYS 421 HG2 -0.02 -0.04 0.01 -0.04 1.46 1.37 2ywbD1 LYS 421 HG3 0.00 0.01 -0.05 -0.04 1.46 1.38 2ywbD1 LYS 421 HD2 -0.01 0.09 -0.04 -0.04 1.69 1.69 2ywbD1 LYS 421 HD3 -0.02 -0.08 0.00 -0.04 1.68 1.54 2ywbD1 LYS 421 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.90 2ywbD1 LYS 421 HE3 -0.01 -0.06 0.00 -0.04 2.99 2.88 2ywbD1 VAL 422 H -0.05 0.42 -0.32 -0.55 8.24 7.74 2ywbD1 VAL 422 HA -0.09 0.09 0.86 -0.75 4.13 4.24 2ywbD1 VAL 422 HB -0.13 0.02 0.15 -0.04 2.12 2.12 2ywbD1 VAL 422 HG13 -0.05 -0.02 -0.22 -0.04 0.97 0.65 2ywbD1 VAL 422 HG23 -0.27 0.01 -0.14 -0.04 0.95 0.50 2ywbD1 ALA 423 H -0.13 0.45 0.42 -0.55 8.40 8.60 2ywbD1 ALA 423 HA -0.10 0.16 0.64 -0.75 4.34 4.28 2ywbD1 ALA 423 HB3 -0.07 -0.03 0.02 -0.04 1.41 1.28 2ywbD1 GLN 424 H -0.27 0.28 0.09 -0.55 8.47 8.02 2ywbD1 GLN 424 HA -0.56 0.14 0.60 -0.75 4.36 3.78 2ywbD1 GLN 424 HB2 -0.08 0.12 -0.20 -0.04 2.15 1.94 2ywbD1 GLN 424 HB3 -0.07 -0.10 -0.11 -0.04 2.02 1.70 2ywbD1 GLN 424 HG2 0.01 -0.07 -0.16 -0.04 2.40 2.14 2ywbD1 GLN 424 HG3 0.00 0.02 -0.32 -0.04 2.39 2.05 2ywbD1 GLN 424 HE21 0.10 0.51 -0.02 -0.04 6.97 7.53 2ywbD1 GLN 424 HE22 0.04 -0.14 -0.09 -0.04 7.69 7.46 2ywbD1 ALA 425 H -0.10 0.27 0.12 -0.55 8.40 8.15 2ywbD1 ALA 425 HA 0.12 0.27 0.92 -0.75 4.34 4.90 2ywbD1 ALA 425 HB3 -0.13 0.00 -0.02 -0.04 1.41 1.22 2ywbD1 LEU 426 H 0.27 0.86 0.41 -0.55 8.37 9.36 2ywbD1 LEU 426 HA 0.24 0.12 0.77 -0.75 4.35 4.72 2ywbD1 LEU 426 HB2 0.07 -0.01 0.08 -0.04 1.64 1.75 2ywbD1 LEU 426 HB3 0.12 0.04 -0.16 -0.04 1.64 1.61 2ywbD1 LEU 426 HG 0.09 0.08 -0.06 -0.04 1.64 1.72 2ywbD1 LEU 426 HD13 -0.07 0.01 -0.34 -0.04 0.93 0.49 2ywbD1 LEU 426 HD23 0.06 0.01 -0.22 -0.04 0.89 0.69 2ywbD1 ALA 427 H 0.07 0.24 0.21 -0.55 8.40 8.36 2ywbD1 ALA 427 HA -0.17 0.38 1.02 -0.75 4.34 4.82 2ywbD1 ALA 427 HB3 -0.07 -0.01 -0.07 -0.04 1.41 1.21 2ywbD1 VAL 428 H -0.39 0.57 0.33 -0.55 8.24 8.21 2ywbD1 VAL 428 HA -0.25 0.34 1.07 -0.75 4.13 4.54 2ywbD1 VAL 428 HB -1.17 -0.04 0.12 -0.04 2.12 0.98 2ywbD1 VAL 428 HG13 -0.39 0.00 -0.28 -0.04 0.97 0.26 2ywbD1 VAL 428 HG23 -0.64 -0.02 -0.11 -0.04 0.95 0.15 2ywbD1 LEU 429 H -0.16 0.72 0.39 -0.55 8.37 8.77 2ywbD1 LEU 429 HA -0.13 0.17 0.97 -0.75 4.35 4.61 2ywbD1 LEU 429 HB2 -0.17 -0.04 0.04 -0.04 1.64 1.43 2ywbD1 LEU 429 HB3 -0.14 -0.01 0.23 -0.04 1.64 1.68 2ywbD1 LEU 429 HG -0.22 0.04 -0.30 -0.04 1.64 1.12 2ywbD1 LEU 429 HD13 -0.28 0.01 -0.16 -0.04 0.93 0.46 2ywbD1 LEU 429 HD23 -0.57 -0.02 -0.02 -0.04 0.89 0.23 2ywbD1 THR 430 H -0.00 0.77 0.37 -0.55 8.28 8.87 2ywbD1 THR 430 HA 0.07 0.20 1.05 -0.75 4.39 4.96 2ywbD1 THR 430 HB 0.05 0.00 0.18 -0.04 4.32 4.52 2ywbD1 THR 430 HG23 0.09 0.01 -0.18 -0.04 1.22 1.09 2ywbD1 PRO 431 HA 0.01 0.19 0.65 -0.51 4.44 4.78 2ywbD1 PRO 431 HB2 0.05 -0.03 0.13 -0.04 2.28 2.39 2ywbD1 PRO 431 HB3 0.05 0.03 0.08 -0.04 2.02 2.13 2ywbD1 PRO 431 HG2 0.14 0.01 0.02 -0.04 2.03 2.16 2ywbD1 PRO 431 HG3 0.40 -0.02 -0.06 -0.04 2.03 2.31 2ywbD1 PRO 431 HD2 0.09 0.24 0.32 -0.04 3.68 4.29 2ywbD1 PRO 431 HD3 0.11 0.16 0.22 -0.04 3.65 4.11 2ywbD1 VAL 432 H -0.20 0.77 0.20 -0.55 8.24 8.45 2ywbD1 VAL 432 HA -0.03 0.22 0.77 -0.75 4.13 4.33 2ywbD1 VAL 432 HB -0.00 0.02 -0.18 -0.04 2.12 1.91 2ywbD1 VAL 432 HG13 -0.06 0.02 -0.25 -0.04 0.97 0.64 2ywbD1 VAL 432 HG23 -0.02 -0.01 -0.01 -0.04 0.95 0.88 2ywbD1 GLY 445 HA2 -0.11 -0.09 0.05 -0.51 4.01 3.35 2ywbD1 GLY 445 HA3 -0.22 0.05 -118.41 -0.51 4.01 -115.08 2ywbD1 TYR 446 H 0.02 0.24 0.39 -0.55 8.29 8.39 2ywbD1 TYR 446 HA -0.02 0.18 0.97 -0.75 4.56 4.95 2ywbD1 TYR 446 HB2 -0.02 0.16 -0.01 -0.04 3.06 3.15 2ywbD1 TYR 446 HB3 -0.03 -0.08 -0.11 -0.04 2.98 2.72 2ywbD1 TYR 446 HD2 -0.02 0.08 -0.28 -0.04 7.15 6.89 2ywbD1 TYR 446 HE2 -0.01 -0.05 -0.11 -0.04 6.85 6.65 2ywbD1 VAL 447 H 0.13 0.68 0.34 -0.55 8.24 8.83 2ywbD1 VAL 447 HA 0.02 0.21 1.01 -0.75 4.13 4.62 2ywbD1 VAL 447 HB 0.04 0.00 0.12 -0.04 2.12 2.24 2ywbD1 VAL 447 HG13 0.01 -0.01 -0.22 -0.04 0.97 0.71 2ywbD1 VAL 447 HG23 0.02 -0.01 -0.12 -0.04 0.95 0.80 2ywbD1 LEU 448 H -0.04 0.63 0.36 -0.55 8.37 8.79 2ywbD1 LEU 448 HA -0.13 0.30 1.14 -0.75 4.35 4.91 2ywbD1 LEU 448 HB2 -0.08 -0.01 -0.03 -0.04 1.64 1.48 2ywbD1 LEU 448 HB3 -0.10 -0.01 0.14 -0.04 1.64 1.63 2ywbD1 LEU 448 HG -0.19 0.05 -0.28 -0.04 1.64 1.19 2ywbD1 LEU 448 HD13 -0.13 0.01 -0.23 -0.04 0.93 0.54 2ywbD1 LEU 448 HD23 -0.15 -0.02 -0.16 -0.04 0.89 0.52 2ywbD1 ALA 449 H -0.30 0.71 0.36 -0.55 8.40 8.62 2ywbD1 ALA 449 HA -0.12 0.18 1.06 -0.75 4.34 4.69 2ywbD1 ALA 449 HB3 -0.45 -0.01 0.01 -0.04 1.41 0.91 2ywbD1 LEU 450 H -0.08 0.81 0.45 -0.55 8.37 9.00 2ywbD1 LEU 450 HA -0.35 0.12 0.78 -0.75 4.35 4.15 2ywbD1 LEU 450 HB2 0.07 -0.02 0.19 -0.04 1.64 1.85 2ywbD1 LEU 450 HB3 -0.43 -0.02 0.04 -0.04 1.64 1.19 2ywbD1 LEU 450 HG -0.26 0.05 -0.02 -0.04 1.64 1.37 2ywbD1 LEU 450 HD13 -0.36 -0.01 -0.09 -0.04 0.93 0.42 2ywbD1 LEU 450 HD23 -0.99 0.00 -0.11 -0.04 0.89 -0.25 2ywbD1 ARG 451 H 0.11 0.60 0.35 -0.55 8.46 8.96 2ywbD1 ARG 451 HA 0.06 0.06 0.96 -0.75 4.34 4.66 2ywbD1 ARG 451 HB2 0.06 0.00 -0.26 -0.04 1.90 1.67 2ywbD1 ARG 451 HB3 0.01 0.03 -0.01 -0.04 1.80 1.79 2ywbD1 ARG 451 HG2 0.23 0.10 -0.09 -0.04 1.67 1.86 2ywbD1 ARG 451 HG3 0.13 -0.11 -0.25 -0.04 1.67 1.40 2ywbD1 ARG 451 HD2 0.12 -0.01 -0.14 -0.04 3.22 3.14 2ywbD1 ARG 451 HD3 0.17 -0.08 0.03 -0.04 3.22 3.31 2ywbD1 ALA 452 H 0.21 0.29 0.26 -0.55 8.40 8.61 2ywbD1 ALA 452 HA 0.13 0.30 0.94 -0.75 4.34 4.96 2ywbD1 ALA 452 HB3 0.30 -0.00 0.07 -0.04 1.41 1.74 2ywbD1 VAL 453 H 0.00 0.46 0.36 -0.55 8.24 8.51 2ywbD1 VAL 453 HA 0.07 0.19 1.04 -0.75 4.13 4.68 2ywbD1 VAL 453 HB 0.02 0.05 -0.02 -0.04 2.12 2.13 2ywbD1 VAL 453 HG13 0.09 -0.01 -0.38 -0.04 0.97 0.63 2ywbD1 VAL 453 HG23 -0.01 -0.03 -0.19 -0.04 0.95 0.68 2ywbD1 THR 454 H -0.04 0.61 0.35 -0.55 8.28 8.65 2ywbD1 THR 454 HA -0.09 0.05 0.92 -0.75 4.39 4.52 2ywbD1 THR 454 HB -0.10 0.05 0.12 -0.04 4.32 4.35 2ywbD1 THR 454 HG23 -0.07 0.02 -0.06 -0.04 1.22 1.07 2ywbD1 THR 455 H -0.14 0.37 0.23 -0.55 8.28 8.19 2ywbD1 THR 455 HA -0.15 0.09 0.73 -0.75 4.39 4.31 2ywbD1 THR 455 HB -0.10 0.15 -0.06 -0.04 4.32 4.27 2ywbD1 THR 455 HG23 -0.20 0.01 -0.09 -0.04 1.22 0.91 2ywbD1 GLU 456 H -0.24 0.03 0.24 -0.55 8.60 8.09 2ywbD1 GLU 456 HA -0.40 0.29 0.89 -0.75 4.29 4.33 2ywbD1 GLU 456 HB2 -0.26 0.02 0.13 -0.04 2.09 1.93 2ywbD1 GLU 456 HB3 -0.22 0.11 -0.03 -0.04 1.99 1.81 2ywbD1 GLU 456 HG2 -0.20 -0.10 0.03 -0.04 2.34 2.03 2ywbD1 GLU 456 HG3 -0.27 -0.03 -0.06 -0.04 2.34 1.94 2ywbD1 ASP 457 H -0.26 -0.03 0.25 -0.55 8.40 7.81 2ywbD1 ASP 457 HA -0.08 0.33 0.98 -0.75 4.63 5.10 2ywbD1 ASP 457 HB2 0.08 0.07 0.18 -0.04 2.71 3.00 2ywbD1 ASP 457 HB3 -0.09 0.01 0.03 -0.04 2.70 2.61 2ywbD1 PHE 458 H -0.52 0.05 -0.04 -0.55 8.34 7.27 2ywbD1 PHE 458 HA -0.01 0.05 0.16 -0.75 4.62 4.06 2ywbD1 PHE 458 HB2 0.01 0.11 0.19 -0.04 3.15 3.41 2ywbD1 PHE 458 HB3 0.01 -0.01 0.15 -0.04 3.06 3.18 2ywbD1 PHE 458 HD2 -0.03 0.08 -0.32 -0.04 7.28 6.97 2ywbD1 PHE 458 HE2 -0.07 0.06 -0.08 -0.04 7.38 7.24 2ywbD1 PHE 458 HZ -0.08 0.06 -0.07 -0.04 7.32 7.19 2ywbD1 MET 459 H 0.03 -0.23 -0.30 -0.55 8.47 7.43 2ywbD1 MET 459 HA 0.07 0.23 0.91 -0.75 4.52 4.98 2ywbD1 MET 459 HB2 0.07 -0.10 -0.00 -0.04 2.15 2.07 2ywbD1 MET 459 HB3 0.04 0.02 -0.03 -0.04 2.03 2.02 2ywbD1 MET 459 HG2 0.08 0.07 -0.11 -0.04 2.63 2.62 2ywbD1 MET 459 HG3 0.13 0.07 -0.35 -0.04 2.56 2.38 2ywbD1 MET 459 HE3 0.12 -0.06 -0.03 -0.04 2.10 2.08 2ywbD1 THR 460 H 0.01 -0.17 0.15 -0.55 8.28 7.72 2ywbD1 THR 460 HA 0.01 0.33 0.80 -0.75 4.39 4.77 2ywbD1 THR 460 HB -0.01 -0.20 0.13 -0.04 4.32 4.20 2ywbD1 THR 460 HG23 0.00 0.11 0.02 -0.04 1.22 1.31 2ywbD1 ALA 461 H 0.01 0.76 0.35 -0.55 8.40 8.97 2ywbD1 ALA 461 HA -0.04 0.19 0.97 -0.75 4.34 4.70 2ywbD1 ALA 461 HB3 0.01 -0.00 -0.09 -0.04 1.41 1.29 2ywbD1 ASP 462 H -0.05 0.55 0.31 -0.55 8.40 8.66 2ywbD1 ASP 462 HA 0.04 0.14 0.93 -0.75 4.63 4.98 2ywbD1 ASP 462 HB2 -0.13 -0.05 0.03 -0.04 2.71 2.52 2ywbD1 ASP 462 HB3 -0.20 0.11 0.03 -0.04 2.70 2.61 2ywbD1 TRP 463 H 0.30 0.10 0.04 -0.55 7.97 7.86 2ywbD1 TRP 463 HA -0.01 0.19 0.59 -0.75 4.62 4.63 2ywbD1 TRP 463 HB2 -0.12 0.21 0.08 -0.04 3.23 3.37 2ywbD1 TRP 463 HB3 -0.06 0.02 -0.28 -0.04 3.23 2.87 2ywbD1 TRP 463 HD1 -0.01 -0.07 -0.05 -0.04 7.22 7.04 2ywbD1 TRP 463 HE1 0.01 -0.03 0.04 -0.04 10.20 10.18 2ywbD1 TRP 463 HE3 0.26 0.17 -0.21 -0.04 7.59 7.76 2ywbD1 TRP 463 HZ2 0.05 -0.03 0.00 -0.04 7.44 7.42 2ywbD1 TRP 463 HZ3 0.32 -0.02 -0.05 -0.04 7.13 7.34 2ywbD1 TRP 463 HH2 0.10 -0.04 -0.03 -0.04 7.19 7.19 2ywbD1 ALA 464 H 0.25 0.58 0.22 -0.55 8.40 8.90 2ywbD1 ALA 464 HA -0.07 -0.01 0.32 -0.75 4.34 3.83 2ywbD1 ALA 464 HB3 0.13 -0.01 -0.18 -0.04 1.41 1.31 2ywbD1 ARG 465 H -0.19 0.13 0.06 -0.55 8.46 7.91 2ywbD1 ARG 465 HA -0.16 0.12 0.53 -0.75 4.34 4.07 2ywbD1 ARG 465 HB2 -0.15 -0.02 0.21 -0.04 1.90 1.89 2ywbD1 ARG 465 HB3 -0.15 -0.01 0.09 -0.04 1.80 1.69 2ywbD1 ARG 465 HG2 -0.50 0.04 0.07 -0.04 1.67 1.23 2ywbD1 ARG 465 HG3 -0.30 -0.03 0.04 -0.04 1.67 1.33 2ywbD1 ARG 465 HD2 -0.43 -0.04 -0.00 -0.04 3.22 2.71 2ywbD1 ARG 465 HD3 -1.44 0.06 -0.09 -0.04 3.22 1.70 2ywbD1 LEU 466 H 0.16 0.38 -0.04 -0.55 8.37 8.32 2ywbD1 LEU 466 HA 0.02 0.14 0.52 -0.75 4.35 4.27 2ywbD1 LEU 466 HB2 -0.00 -0.03 -0.05 -0.04 1.64 1.53 2ywbD1 LEU 466 HB3 0.06 0.00 0.00 -0.04 1.64 1.66 2ywbD1 LEU 466 HG 0.16 0.05 -0.19 -0.04 1.64 1.62 2ywbD1 LEU 466 HD13 0.16 -0.01 -0.09 -0.04 0.93 0.95 2ywbD1 LEU 466 HD23 -0.07 0.01 -0.16 -0.04 0.89 0.64 2ywbD1 PRO 467 HA 0.11 0.09 0.50 -0.51 4.44 4.63 2ywbD1 PRO 467 HB2 0.36 -0.17 0.12 -0.04 2.28 2.56 2ywbD1 PRO 467 HB3 0.24 0.04 0.12 -0.04 2.02 2.39 2ywbD1 PRO 467 HG2 0.25 0.09 0.08 -0.04 2.03 2.41 2ywbD1 PRO 467 HG3 0.12 0.12 0.07 -0.04 2.03 2.30 2ywbD1 PRO 467 HD2 0.04 0.06 0.18 -0.04 3.68 3.92 2ywbD1 PRO 467 HD3 0.04 0.25 0.19 -0.04 3.65 4.08 2ywbD1 LEU 468 H 0.10 0.21 0.20 -0.55 8.37 8.33 2ywbD1 LEU 468 HA 0.04 0.13 0.41 -0.75 4.35 4.17 2ywbD1 LEU 468 HB2 0.07 -0.02 0.11 -0.04 1.64 1.76 2ywbD1 LEU 468 HB3 0.05 0.02 0.04 -0.04 1.64 1.71 2ywbD1 LEU 468 HG 0.09 0.02 0.09 -0.04 1.64 1.80 2ywbD1 LEU 468 HD13 0.07 0.01 0.02 -0.04 0.93 0.99 2ywbD1 LEU 468 HD23 0.10 0.03 -0.01 -0.04 0.89 0.97 2ywbD1 GLU 469 H 0.14 0.10 -0.16 -0.55 8.60 8.13 2ywbD1 GLU 469 HA 0.08 0.11 0.41 -0.75 4.29 4.13 2ywbD1 GLU 469 HB2 0.18 0.00 0.09 -0.04 2.09 2.33 2ywbD1 GLU 469 HB3 0.42 0.03 -0.00 -0.04 1.99 2.40 2ywbD1 GLU 469 HG2 0.15 0.00 0.06 -0.04 2.34 2.51 2ywbD1 GLU 469 HG3 0.18 0.03 0.01 -0.04 2.34 2.52 2ywbD1 PHE 470 H 0.17 0.12 -0.37 -0.55 8.34 7.70 2ywbD1 PHE 470 HA -0.99 0.07 0.41 -0.75 4.62 3.36 2ywbD1 PHE 470 HB2 -0.74 -0.00 0.06 -0.04 3.15 2.43 2ywbD1 PHE 470 HB3 -0.20 0.21 0.08 -0.04 3.06 3.12 2ywbD1 PHE 470 HD2 -1.07 0.03 -0.13 -0.04 7.28 6.07 2ywbD1 PHE 470 HE2 -0.14 0.04 -0.30 -0.04 7.38 6.94 2ywbD1 PHE 470 HZ -0.09 0.07 -0.15 -0.04 7.32 7.11 2ywbD1 LEU 471 H -0.04 0.42 -0.17 -0.55 8.37 8.04 2ywbD1 LEU 471 HA -0.34 0.02 0.39 -0.75 4.35 3.66 2ywbD1 LEU 471 HB2 -0.09 0.08 0.12 -0.04 1.64 1.71 2ywbD1 LEU 471 HB3 -0.16 -0.02 -0.02 -0.04 1.64 1.40 2ywbD1 LEU 471 HG -0.05 0.11 -0.12 -0.04 1.64 1.54 2ywbD1 LEU 471 HD13 -0.27 -0.01 -0.07 -0.04 0.93 0.54 2ywbD1 LEU 471 HD23 -0.38 -0.01 -0.06 -0.04 0.89 0.40 2ywbD1 ASP 472 H -0.12 0.54 -0.28 -0.55 8.40 7.99 2ywbD1 ASP 472 HA -0.10 0.03 0.39 -0.75 4.63 4.20 2ywbD1 ASP 472 HB2 -0.03 0.03 0.10 -0.04 2.71 2.76 2ywbD1 ASP 472 HB3 -0.04 0.13 0.15 -0.04 2.70 2.89 2ywbD1 GLU 473 H -0.26 0.46 -0.16 -0.55 8.60 8.08 2ywbD1 GLU 473 HA -0.11 0.02 0.47 -0.75 4.29 3.91 2ywbD1 GLU 473 HB2 -0.11 0.02 0.11 -0.04 2.09 2.08 2ywbD1 GLU 473 HB3 -0.49 0.08 0.13 -0.04 1.99 1.67 2ywbD1 GLU 473 HG2 -0.17 -0.01 -0.16 -0.04 2.34 1.96 2ywbD1 GLU 473 HG3 -0.04 -0.03 0.05 -0.04 2.34 2.27 2ywbD1 ALA 474 H -0.56 0.57 -0.18 -0.55 8.40 7.68 2ywbD1 ALA 474 HA -0.25 0.02 0.37 -0.75 4.34 3.72 2ywbD1 ALA 474 HB3 -0.44 0.02 0.05 -0.04 1.41 1.01 2ywbD1 ALA 475 H -0.21 0.59 -0.13 -0.55 8.40 8.11 2ywbD1 ALA 475 HA -0.12 0.01 0.40 -0.75 4.34 3.87 2ywbD1 ALA 475 HB3 -0.09 0.01 0.07 -0.04 1.41 1.35 2ywbD1 ARG 476 H -0.10 0.60 -0.14 -0.55 8.46 8.27 2ywbD1 ARG 476 HA -0.04 0.03 0.45 -0.75 4.34 4.03 2ywbD1 ARG 476 HB2 -0.06 0.06 0.17 -0.04 1.90 2.03 2ywbD1 ARG 476 HB3 -0.03 -0.05 -0.00 -0.04 1.80 1.67 2ywbD1 ARG 476 HG2 -0.03 -0.04 0.03 -0.04 1.67 1.58 2ywbD1 ARG 476 HG3 -0.05 0.19 0.09 -0.04 1.67 1.86 2ywbD1 ARG 476 HD2 -0.01 -0.02 -0.01 -0.04 3.22 3.13 2ywbD1 ARG 476 HD3 -0.01 -0.04 -0.02 -0.04 3.22 3.11 2ywbD1 ARG 477 H -0.09 0.70 -0.09 -0.55 8.46 8.43 2ywbD1 ARG 477 HA -0.03 -0.01 0.41 -0.75 4.34 3.96 2ywbD1 ARG 477 HB2 -0.06 0.07 0.13 -0.04 1.90 2.01 2ywbD1 ARG 477 HB3 -0.07 0.07 0.10 -0.04 1.80 1.86 2ywbD1 ARG 477 HG2 -0.02 -0.02 -0.02 -0.04 1.67 1.57 2ywbD1 ARG 477 HG3 -0.02 -0.04 -0.07 -0.04 1.67 1.50 2ywbD1 ARG 477 HD2 -0.00 -0.02 0.01 -0.04 3.22 3.17 2ywbD1 ARG 477 HD3 -0.01 -0.02 0.06 -0.04 3.22 3.22 2ywbD1 ILE 478 H -0.07 0.53 -0.27 -0.55 8.25 7.88 2ywbD1 ILE 478 HA -0.03 0.00 0.41 -0.75 4.18 3.81 2ywbD1 ILE 478 HB -0.08 0.08 0.11 -0.04 1.89 1.97 2ywbD1 ILE 478 HG12 -0.03 -0.08 0.02 -0.04 1.49 1.36 2ywbD1 ILE 478 HG13 -0.07 0.23 0.07 -0.04 1.21 1.40 2ywbD1 ILE 478 HG23 -0.06 -0.02 -0.14 -0.04 0.93 0.67 2ywbD1 ILE 478 HD13 -0.11 -0.04 -0.08 -0.04 0.88 0.60 2ywbD1 THR 479 H -0.04 0.48 -0.10 -0.55 8.28 8.07 2ywbD1 THR 479 HA -0.02 0.28 0.49 -0.75 4.39 4.39 2ywbD1 THR 479 HB -0.01 0.02 0.05 -0.04 4.32 4.33 2ywbD1 THR 479 HG23 -0.03 0.01 -0.19 -0.04 1.22 0.97 2ywbD1 ARG 480 H -0.02 0.32 -0.33 -0.55 8.46 7.88 2ywbD1 ARG 480 HA -0.01 0.04 0.49 -0.75 4.34 4.10 2ywbD1 ARG 480 HB2 -0.01 0.12 0.13 -0.04 1.90 2.09 2ywbD1 ARG 480 HB3 -0.01 0.02 0.17 -0.04 1.80 1.93 2ywbD1 ARG 480 HG2 -0.00 -0.01 -0.13 -0.04 1.67 1.48 2ywbD1 ARG 480 HG3 -0.01 -0.04 0.02 -0.04 1.67 1.60 2ywbD1 ARG 480 HD2 -0.00 -0.01 -0.03 -0.04 3.22 3.13 2ywbD1 ARG 480 HD3 -0.00 -0.06 -0.03 -0.04 3.22 3.09 2ywbD1 ARG 481 H -0.01 0.58 -0.01 -0.55 8.46 8.47 2ywbD1 ARG 481 HA -0.00 0.05 0.49 -0.75 4.34 4.12 2ywbD1 ARG 481 HB2 -0.01 0.11 0.07 -0.04 1.90 2.04 2ywbD1 ARG 481 HB3 -0.00 -0.10 0.06 -0.04 1.80 1.72 2ywbD1 ARG 481 HG2 -0.00 -0.06 0.02 -0.04 1.67 1.59 2ywbD1 ARG 481 HG3 -0.01 0.05 0.09 -0.04 1.67 1.76 2ywbD1 ARG 481 HD2 -0.00 0.02 -0.03 -0.04 3.22 3.17 2ywbD1 ARG 481 HD3 0.00 -0.05 -0.00 -0.04 3.22 3.12 2ywbD1 VAL 482 H -0.01 0.39 -0.47 -0.55 8.24 7.60 2ywbD1 VAL 482 HA -0.00 0.13 0.93 -0.75 4.13 4.43 2ywbD1 VAL 482 HB -0.02 0.19 0.23 -0.04 2.12 2.48 2ywbD1 VAL 482 HG13 -0.02 -0.06 0.01 -0.04 0.97 0.87 2ywbD1 VAL 482 HG23 -0.01 -0.03 -0.20 -0.04 0.95 0.67 2ywbD1 PRO 483 HA 0.01 0.21 0.37 -0.51 4.44 4.52 2ywbD1 PRO 483 HB2 0.02 -0.07 0.02 -0.04 2.28 2.21 2ywbD1 PRO 483 HB3 0.01 0.01 0.06 -0.04 2.02 2.06 2ywbD1 PRO 483 HG2 0.01 -0.03 0.04 -0.04 2.03 2.00 2ywbD1 PRO 483 HG3 0.00 0.15 0.03 -0.04 2.03 2.18 2ywbD1 PRO 483 HD2 0.01 0.00 0.11 -0.04 3.68 3.76 2ywbD1 PRO 483 HD3 0.00 0.30 -0.45 -0.04 3.65 3.46 2ywbD1 GLU 484 H 0.03 0.03 -0.31 -0.55 8.60 7.81 2ywbD1 GLU 484 HA 0.08 0.07 0.36 -0.75 4.29 4.05 2ywbD1 GLU 484 HB2 0.06 -0.02 -0.05 -0.04 2.09 2.04 2ywbD1 GLU 484 HB3 0.24 0.01 0.02 -0.04 1.99 2.22 2ywbD1 GLU 484 HG2 0.08 -0.04 -0.01 -0.04 2.34 2.31 2ywbD1 GLU 484 HG3 0.07 0.03 0.00 -0.04 2.34 2.40 2ywbD1 ILE 485 H 0.03 0.64 -0.28 -0.55 8.25 8.09 2ywbD1 ILE 485 HA 0.09 0.13 0.96 -0.75 4.18 4.60 2ywbD1 ILE 485 HB -0.01 0.20 0.09 -0.04 1.89 2.13 2ywbD1 ILE 485 HG12 0.01 -0.03 -0.21 -0.04 1.49 1.22 2ywbD1 ILE 485 HG13 0.00 -0.10 -0.25 -0.04 1.21 0.82 2ywbD1 ILE 485 HG23 -0.01 -0.04 -0.17 -0.04 0.93 0.67 2ywbD1 ILE 485 HD13 -0.06 -0.01 -0.10 -0.04 0.88 0.66 2ywbD1 GLY 486 H 0.03 0.34 0.31 -0.55 8.43 8.56 2ywbD1 GLY 486 HA2 0.00 0.25 0.95 -0.51 4.01 4.70 2ywbD1 GLY 486 HA3 0.00 -0.01 0.37 -0.51 4.01 3.86 2ywbD1 ARG 487 H 0.00 0.23 0.10 -0.55 8.46 8.24 2ywbD1 ARG 487 HA -0.01 0.10 0.71 -0.75 4.34 4.39 2ywbD1 ARG 487 HB2 -0.00 0.04 -0.28 -0.04 1.90 1.61 2ywbD1 ARG 487 HB3 0.00 -0.07 0.09 -0.04 1.80 1.78 2ywbD1 ARG 487 HG2 0.00 -0.05 -0.09 -0.04 1.67 1.49 2ywbD1 ARG 487 HG3 -0.01 0.02 0.09 -0.04 1.67 1.73 2ywbD1 ARG 487 HD2 -0.00 0.05 -0.04 -0.04 3.22 3.18 2ywbD1 ARG 487 HD3 0.00 -0.04 -0.04 -0.04 3.22 3.10 2ywbD1 VAL 488 H -0.03 0.24 0.18 -0.55 8.24 8.08 2ywbD1 VAL 488 HA -0.06 0.32 1.14 -0.75 4.13 4.78 2ywbD1 VAL 488 HB -0.07 -0.05 0.11 -0.04 2.12 2.07 2ywbD1 VAL 488 HG13 -0.12 0.00 -0.11 -0.04 0.97 0.71 2ywbD1 VAL 488 HG23 -0.07 -0.00 -0.14 -0.04 0.95 0.70 2ywbD1 VAL 489 H -0.05 0.65 0.43 -0.55 8.24 8.72 2ywbD1 VAL 489 HA 0.02 0.19 1.01 -0.75 4.13 4.59 2ywbD1 VAL 489 HB 0.04 0.02 0.05 -0.04 2.12 2.19 2ywbD1 VAL 489 HG13 0.02 0.00 -0.24 -0.04 0.97 0.71 2ywbD1 VAL 489 HG23 0.04 0.02 -0.16 -0.04 0.95 0.81 2ywbD1 TYR 490 H 0.10 0.20 0.20 -0.55 8.29 8.24 2ywbD1 TYR 490 HA -0.03 0.24 1.09 -0.75 4.56 5.11 2ywbD1 TYR 490 HB2 -0.01 -0.03 -0.02 -0.04 3.06 2.96 2ywbD1 TYR 490 HB3 -0.03 -0.02 0.06 -0.04 2.98 2.94 2ywbD1 TYR 490 HD2 0.03 -0.03 -0.04 -0.04 7.15 7.07 2ywbD1 TYR 490 HE2 0.50 -0.01 -0.05 -0.04 6.85 7.24 2ywbD1 ASP 491 H -0.35 0.58 0.32 -0.55 8.40 8.41 2ywbD1 ASP 491 HA -0.11 0.02 0.61 -0.75 4.63 4.39 2ywbD1 ASP 491 HB2 0.19 0.08 0.11 -0.04 2.71 3.04 2ywbD1 ASP 491 HB3 -0.10 -0.01 0.24 -0.04 2.70 2.78 2ywbD1 LEU 492 H -0.36 0.15 0.21 -0.55 8.37 7.83 2ywbD1 LEU 492 HA -1.56 0.19 0.69 -0.75 4.35 2.91 2ywbD1 LEU 492 HB2 -0.46 -0.01 0.14 -0.04 1.64 1.27 2ywbD1 LEU 492 HB3 -0.71 -0.01 0.17 -0.04 1.64 1.05 2ywbD1 LEU 492 HG -0.96 -0.01 0.04 -0.04 1.64 0.67 2ywbD1 LEU 492 HD13 -0.67 0.05 -0.16 -0.04 0.93 0.11 2ywbD1 LEU 492 HD23 -0.23 -0.00 0.03 -0.04 0.89 0.65 2ywbD1 THR 493 H -0.25 0.07 -0.22 -0.55 8.28 7.33 2ywbD1 THR 493 HA -0.12 0.14 0.87 -0.75 4.39 4.52 2ywbD1 THR 493 HB -0.14 0.07 0.02 -0.04 4.32 4.23 2ywbD1 THR 493 HG23 -0.11 0.04 -0.02 -0.04 1.22 1.08 2ywbD1 SER 494 H 0.08 0.12 0.17 -0.55 8.46 8.28 2ywbD1 SER 494 HA 0.13 0.14 0.66 -0.75 4.49 4.67 2ywbD1 SER 494 HB2 0.13 0.04 0.14 -0.04 3.95 4.22 2ywbD1 SER 494 HB3 0.09 0.16 0.20 -0.04 3.93 4.33 2ywbD1 LYS 495 H 0.05 0.71 0.26 -0.55 8.42 8.88 2ywbD1 LYS 495 HA 0.01 0.14 0.85 -0.75 4.32 4.57 2ywbD1 LYS 495 HB2 0.02 0.08 -0.09 -0.04 1.87 1.83 2ywbD1 LYS 495 HB3 0.02 -0.16 0.21 -0.04 1.79 1.82 2ywbD1 LYS 495 HG2 0.01 -0.03 -0.17 -0.04 1.46 1.23 2ywbD1 LYS 495 HG3 0.01 0.12 0.02 -0.04 1.46 1.57 2ywbD1 LYS 495 HD2 0.02 -0.15 -0.00 -0.04 1.69 1.51 2ywbD1 LYS 495 HD3 0.02 -0.06 -0.06 -0.04 1.68 1.53 2ywbD1 LYS 495 HE2 0.02 0.15 0.02 -0.04 2.99 3.14 2ywbD1 LYS 495 HE3 0.01 -0.05 -0.02 -0.04 2.99 2.89 2ywbD1 PRO 496 HA 0.00 0.17 0.28 -0.51 4.44 4.38 2ywbD1 PRO 496 HB2 0.00 0.03 0.05 -0.04 2.28 2.32 2ywbD1 PRO 496 HB3 0.01 0.04 0.06 -0.04 2.02 2.08 2ywbD1 PRO 496 HG2 0.02 0.03 -0.09 -0.04 2.03 1.95 2ywbD1 PRO 496 HG3 0.02 0.01 0.04 -0.04 2.03 2.06 2ywbD1 PRO 496 HD2 0.03 0.06 0.38 -0.04 3.68 4.11 2ywbD1 PRO 496 HD3 0.02 0.07 0.16 -0.04 3.65 3.86 2ywbD1 PRO 497 HA -0.01 0.01 0.34 -0.51 4.44 4.27 2ywbD1 PRO 497 HB2 -0.03 0.02 0.06 -0.04 2.28 2.28 2ywbD1 PRO 497 HB3 -0.02 0.00 0.09 -0.04 2.02 2.06 2ywbD1 PRO 497 HG2 -0.05 0.05 0.01 -0.04 2.03 2.00 2ywbD1 PRO 497 HG3 -0.03 -0.00 0.07 -0.04 2.03 2.03 2ywbD1 PRO 497 HD2 -0.00 0.09 0.32 -0.04 3.68 4.05 2ywbD1 PRO 497 HD3 0.00 0.05 0.20 -0.04 3.65 3.87 2ywbD1 ALA 498 H -0.03 0.67 0.10 -0.55 8.40 8.59 2ywbD1 ALA 498 HA -0.06 0.17 0.96 -0.75 4.34 4.65 2ywbD1 ALA 498 HB3 -0.12 0.01 -0.03 -0.04 1.41 1.23 2ywbD1 THR 499 H -0.06 0.12 0.07 -0.55 8.28 7.86 2ywbD1 THR 499 HA 0.00 0.10 0.62 -0.75 4.39 4.36 2ywbD1 THR 499 HB 0.02 -0.14 0.02 -0.04 4.32 4.18 2ywbD1 THR 499 HG23 -0.01 -0.01 -0.05 -0.04 1.22 1.11 2ywbD1 ILE 500 H 0.03 0.05 0.05 -0.55 8.25 7.83 2ywbD1 ILE 500 HA 0.07 0.11 0.28 -0.75 4.18 3.89 2ywbD1 ILE 500 HB 0.04 -0.11 0.06 -0.04 1.89 1.84 2ywbD1 ILE 500 HG12 0.03 -0.02 0.01 -0.04 1.49 1.47 2ywbD1 ILE 500 HG13 0.03 0.01 -0.08 -0.04 1.21 1.12 2ywbD1 ILE 500 HG23 0.05 0.00 -0.23 -0.04 0.93 0.71 2ywbD1 ILE 500 HD13 0.03 0.02 -0.18 -0.04 0.88 0.71 2ywbD1 GLU 501 H 0.06 -0.02 -0.06 -0.55 8.60 8.04 2ywbD1 GLU 501 HA 0.14 0.09 0.37 -0.75 4.29 4.15 2ywbD1 GLU 501 HB2 0.05 -0.01 -0.05 -0.04 2.09 2.04 2ywbD1 GLU 501 HB3 0.06 0.06 0.02 -0.04 1.99 2.08 2ywbD1 GLU 501 HG2 0.02 -0.09 -0.03 -0.04 2.34 2.20 2ywbD1 GLU 501 HG3 -0.01 -0.01 -0.03 -0.04 2.34 2.25 2ywbD1 TRP 502 H 0.30 0.15 0.06 -0.55 7.97 7.94 2ywbD1 TRP 502 HA -0.02 0.17 0.55 -0.75 4.62 4.57 2ywbD1 TRP 502 HB2 -0.02 0.02 0.03 -0.04 3.23 3.22 2ywbD1 TRP 502 HB3 -0.02 -0.01 0.01 -0.04 3.23 3.17 2ywbD1 TRP 502 HD1 -0.02 0.08 -0.33 -0.04 7.22 6.91 2ywbD1 TRP 502 HE1 -0.05 0.01 -0.10 -0.04 10.20 10.01 2ywbD1 TRP 502 HE3 -0.02 0.01 -0.06 -0.04 7.59 7.47 2ywbD1 TRP 502 HZ2 -0.08 -0.04 -0.09 -0.04 7.44 7.19 2ywbD1 TRP 502 HZ3 -0.02 0.01 -0.07 -0.04 7.13 7.00 2ywbD1 TRP 502 HH2 -0.05 -0.02 -0.09 -0.04 7.19 7.00 2ywbD1 GLU 503 H 0.13 0.23 -0.28 -0.55 8.60 8.13 2ywbD1 GLU 503 HA 0.05 0.11 0.14 -0.75 4.29 3.83 2ywbD1 GLU 503 HB2 0.04 -0.10 0.10 -0.04 2.09 2.10 2ywbD1 GLU 503 HB3 0.10 0.21 -0.09 -0.04 1.99 2.17 2ywbD1 GLU 503 HG2 0.08 0.14 -0.13 -0.04 2.34 2.39 2ywbD1 GLU 503 HG3 0.03 -0.10 0.08 -0.04 2.34 2.31