============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 67 rings ring int. center anis. iso. TYR 6 0.840 45.314 32.526 14.948 -99.200 -91.000 TRP 12 1.040 52.134 28.561 13.981 -99.200 -91.000 TRP6 12 1.020 52.452 30.188 15.673 -99.200 -91.000 PHE 15 1.000 56.909 31.717 15.998 -99.200 -91.000 PHE 22 1.000 65.484 30.951 20.499 -99.200 -91.000 PHE 34 1.000 48.765 33.933 13.916 -99.200 -91.000 PHE 44 1.000 53.638 38.774 31.710 -99.200 -91.000 TYR 47 0.840 50.171 38.694 35.439 -99.200 -91.000 TRP 48 1.040 55.524 38.002 41.835 -99.200 -91.000 TRP6 48 1.020 56.200 36.038 42.973 -99.200 -91.000 HIS 51 0.900 43.392 36.155 43.906 -99.200 -91.000 PHE 55 1.000 51.389 41.551 49.334 -99.200 -91.000 PHE 60 1.000 45.093 42.136 58.220 -99.200 -91.000 TYR 66 0.840 47.983 30.125 67.276 -99.200 -91.000 HIS 69 0.900 42.816 36.203 61.645 -99.200 -91.000 TRP 90 1.040 50.603 36.080 48.038 -99.200 -91.000 TRP6 90 1.020 52.946 35.767 47.948 -99.200 -91.000 PHE 91 1.000 54.388 29.989 44.890 -99.200 -91.000 TYR 99 0.840 53.495 30.810 36.012 -99.200 -91.000 PHE 116 1.000 60.974 51.547 27.566 -99.200 -91.000 PHE 121 1.000 52.087 48.128 35.106 -99.200 -91.000 TRP 125 1.040 46.103 45.294 43.626 -99.200 -91.000 TRP6 125 1.020 48.395 44.909 43.195 -99.200 -91.000 HIS 130 0.900 38.017 44.206 52.310 -99.200 -91.000 PHE 133 1.000 42.379 43.791 53.284 -99.200 -91.000 HIS 145 0.900 66.428 45.317 25.303 -99.200 -91.000 HIS 146 0.900 72.482 41.395 24.958 -99.200 -91.000 PHE 152 1.000 59.149 40.976 41.143 -99.200 -91.000 PHE 155 1.000 56.173 50.113 48.435 -99.200 -91.000 TYR 166 0.840 67.049 38.802 40.484 -99.200 -91.000 PHE 173 1.000 61.420 28.016 20.548 -99.200 -91.000 PHE 184 1.000 68.738 31.276 35.115 -99.200 -91.000 HIS 186 0.900 66.670 35.794 45.109 -99.200 -91.000 TYR 196 0.840 56.788 33.483 55.571 -99.200 -91.000 HIS 204 0.900 56.514 21.702 29.949 -99.200 -91.000 PHE 214 1.000 48.963 23.903 26.710 -99.200 -91.000 TYR 222 0.840 63.085 24.143 46.948 -99.200 -91.000 PHE 235 1.000 54.238 24.382 40.720 -99.200 -91.000 TYR 240 0.840 56.406 16.663 32.262 -99.200 -91.000 PHE 241 1.000 55.051 9.569 39.035 -99.200 -91.000 PHE 248 1.000 48.825 22.839 44.444 -99.200 -91.000 TYR 253 0.840 58.636 18.372 54.123 -99.200 -91.000 TYR 267 0.840 49.162 21.706 58.365 -99.200 -91.000 TRP 273 1.040 49.195 25.244 38.767 -99.200 -91.000 TRP6 273 1.020 48.814 26.824 37.053 -99.200 -91.000 PHE 291 1.000 46.114 25.704 50.745 -99.200 -91.000 TYR 292 0.840 43.231 29.832 45.698 -99.200 -91.000 HIS 301 0.900 42.518 42.319 36.577 -99.200 -91.000 HIS 311 0.900 58.704 59.762 33.498 -99.200 -91.000 TRP 319 1.040 56.478 48.844 25.494 -99.200 -91.000 TRP6 319 1.020 57.693 48.149 23.587 -99.200 -91.000 TYR 320 0.840 48.136 55.328 22.724 -99.200 -91.000 PHE 331 1.000 52.442 40.336 9.195 -99.200 -91.000 TRP 359 1.040 68.847 53.185 32.333 -99.200 -91.000 TRP6 359 1.020 67.795 55.008 31.249 -99.200 -91.000 TRP 363 1.040 61.961 54.097 41.762 -99.200 -91.000 TRP6 363 1.020 60.210 53.582 40.259 -99.200 -91.000 PHE 364 1.000 63.348 47.544 41.903 -99.200 -91.000 PHE 367 1.000 72.616 45.883 47.430 -99.200 -91.000 TYR 369 0.840 73.427 38.853 47.984 -99.200 -91.000 PHE 386 1.000 69.367 35.025 48.091 -99.200 -91.000 HIS 420 0.900 71.329 36.891 43.659 -99.200 -91.000 TRP 421 1.040 69.230 43.307 38.873 -99.200 -91.000 TRP6 421 1.020 70.099 45.455 38.398 -99.200 -91.000 PHE 423 1.000 61.641 49.283 46.753 -99.200 -91.000 TRP 428 1.040 58.012 54.768 46.366 -99.200 -91.000 TRP6 428 1.020 57.180 55.525 44.286 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zhyA1 MET -1 HA 0.02 -0.08 0.17 -0.75 4.52 3.88 1zhyA1 MET -1 HB2 0.01 -0.09 0.06 -0.04 2.15 2.09 1zhyA1 MET -1 HB3 0.07 -0.04 0.05 -0.04 2.03 2.06 1zhyA1 MET -1 HG2 0.10 -0.01 -0.06 -0.04 2.63 2.62 1zhyA1 MET -1 HG3 0.12 0.12 -0.37 -0.04 2.56 2.39 1zhyA1 MET -1 HE3 0.24 -0.04 0.03 -0.04 2.10 2.29 1zhyA1 ASP 0 H -0.06 0.01 0.10 -0.55 8.40 7.91 1zhyA1 ASP 0 HA -0.14 0.24 0.61 -0.75 4.63 4.59 1zhyA1 ASP 0 HB2 -0.08 0.05 0.12 -0.04 2.71 2.75 1zhyA1 ASP 0 HB3 -0.13 -0.10 0.11 -0.04 2.70 2.54 1zhyA1 PRO 1 HA -2.55 0.12 0.44 -0.51 4.44 1.95 1zhyA1 PRO 1 HB2 -0.38 -0.04 0.08 -0.04 2.28 1.90 1zhyA1 PRO 1 HB3 -0.60 0.14 0.14 -0.04 2.02 1.66 1zhyA1 PRO 1 HG2 -0.23 0.06 0.12 -0.04 2.03 1.95 1zhyA1 PRO 1 HG3 -0.40 0.16 0.13 -0.04 2.03 1.87 1zhyA1 PRO 1 HD2 -0.24 0.03 0.24 -0.04 3.68 3.67 1zhyA1 PRO 1 HD3 -0.22 0.22 0.29 -0.04 3.65 3.90 1zhyA1 SER 2 H -0.30 0.07 -0.36 -0.55 8.46 7.33 1zhyA1 SER 2 HA -0.19 0.12 0.39 -0.75 4.49 4.05 1zhyA1 SER 2 HB2 -0.10 0.01 0.09 -0.04 3.95 3.91 1zhyA1 SER 2 HB3 -0.14 0.01 0.08 -0.04 3.93 3.84 1zhyA1 GLN 3 H -0.25 0.59 -0.39 -0.55 8.47 7.87 1zhyA1 GLN 3 HA -0.05 0.18 0.91 -0.75 4.36 4.64 1zhyA1 GLN 3 HB2 -0.00 -0.05 0.11 -0.04 2.15 2.17 1zhyA1 GLN 3 HB3 -0.04 -0.02 0.00 -0.04 2.02 1.93 1zhyA1 GLN 3 HG2 -0.12 0.01 0.09 -0.04 2.40 2.34 1zhyA1 GLN 3 HG3 -0.04 0.11 -0.05 -0.04 2.39 2.37 1zhyA1 GLN 3 HE21 -0.00 0.00 0.02 -0.04 6.97 6.96 1zhyA1 GLN 3 HE22 -0.01 0.01 0.02 -0.04 7.69 7.68 1zhyA1 TYR 4 H -0.27 0.48 -0.18 -0.55 8.29 7.77 1zhyA1 TYR 4 HA -0.48 -0.02 0.38 -0.75 4.56 3.68 1zhyA1 TYR 4 HB2 -0.46 0.15 0.21 -0.04 3.06 2.92 1zhyA1 TYR 4 HB3 -0.75 -0.01 -0.03 -0.04 2.98 2.15 1zhyA1 TYR 4 HD2 -0.58 0.06 -0.02 -0.04 7.15 6.57 1zhyA1 TYR 4 HE2 -0.28 0.13 -0.11 -0.04 6.85 6.55 1zhyA1 ALA 5 H -0.11 0.25 -0.11 -0.55 8.40 7.89 1zhyA1 ALA 5 HA -0.11 0.09 0.24 -0.75 4.34 3.80 1zhyA1 ALA 5 HB3 0.01 0.05 -0.01 -0.04 1.41 1.42 1zhyA1 SER 6 H 0.06 0.11 -0.40 -0.55 8.46 7.68 1zhyA1 SER 6 HA 0.14 0.19 0.77 -0.75 4.49 4.85 1zhyA1 SER 6 HB2 0.07 -0.04 0.11 -0.04 3.95 4.04 1zhyA1 SER 6 HB3 0.06 -0.02 0.00 -0.04 3.93 3.93 1zhyA1 SER 7 H 0.17 0.43 -0.23 -0.55 8.46 8.28 1zhyA1 SER 7 HA 0.12 0.03 0.45 -0.75 4.49 4.34 1zhyA1 SER 7 HB2 0.20 -0.15 0.19 -0.04 3.95 4.14 1zhyA1 SER 7 HB3 0.14 0.33 0.23 -0.04 3.93 4.60 1zhyA1 SER 8 H 0.13 0.15 0.22 -0.55 8.46 8.41 1zhyA1 SER 8 HA 0.10 0.14 0.49 -0.75 4.49 4.46 1zhyA1 SER 8 HB2 0.08 -0.03 0.15 -0.04 3.95 4.11 1zhyA1 SER 8 HB3 0.06 0.03 0.07 -0.04 3.93 4.04 1zhyA1 SER 9 H 0.22 0.07 -0.08 -0.55 8.46 8.12 1zhyA1 SER 9 HA 0.17 0.08 0.38 -0.75 4.49 4.37 1zhyA1 SER 9 HB2 0.43 0.00 0.10 -0.04 3.95 4.45 1zhyA1 SER 9 HB3 0.26 0.06 0.00 -0.04 3.93 4.21 1zhyA1 TRP 10 H 0.51 0.13 -0.24 -0.55 7.97 7.82 1zhyA1 TRP 10 HA 0.19 0.06 0.46 -0.75 4.62 4.57 1zhyA1 TRP 10 HB2 0.36 0.04 0.06 -0.04 3.23 3.65 1zhyA1 TRP 10 HB3 0.19 0.20 0.00 -0.04 3.23 3.57 1zhyA1 TRP 10 HD1 0.15 0.19 0.01 -0.04 7.22 7.53 1zhyA1 TRP 10 HE1 0.17 0.22 0.10 -0.04 10.20 10.65 1zhyA1 TRP 10 HE3 -0.07 -0.07 -0.05 -0.04 7.59 7.36 1zhyA1 TRP 10 HZ2 0.21 0.06 0.09 -0.04 7.44 7.77 1zhyA1 TRP 10 HZ3 -0.58 -0.01 -0.04 -0.04 7.13 6.46 1zhyA1 TRP 10 HH2 -0.09 -0.00 -0.05 -0.04 7.19 7.01 1zhyA1 THR 11 H 0.25 0.50 -0.23 -0.55 8.28 8.25 1zhyA1 THR 11 HA 0.05 0.05 0.41 -0.75 4.39 4.14 1zhyA1 THR 11 HB 0.08 0.02 0.15 -0.04 4.32 4.54 1zhyA1 THR 11 HG23 0.03 -0.03 -0.05 -0.04 1.22 1.14 1zhyA1 SER 12 H 0.07 0.63 -0.13 -0.55 8.46 8.49 1zhyA1 SER 12 HA -0.03 -0.01 0.42 -0.75 4.49 4.12 1zhyA1 SER 12 HB2 0.06 0.14 0.14 -0.04 3.95 4.24 1zhyA1 SER 12 HB3 0.01 -0.06 0.04 -0.04 3.93 3.88 1zhyA1 PHE 13 H 0.01 0.41 -0.29 -0.55 8.34 7.92 1zhyA1 PHE 13 HA -0.23 -0.01 0.46 -0.75 4.62 4.09 1zhyA1 PHE 13 HB2 -0.33 0.16 0.18 -0.04 3.15 3.13 1zhyA1 PHE 13 HB3 -0.82 0.12 0.24 -0.04 3.06 2.56 1zhyA1 PHE 13 HD2 -1.15 0.05 -0.35 -0.04 7.28 5.80 1zhyA1 PHE 13 HE2 -0.27 -0.03 -0.18 -0.04 7.38 6.86 1zhyA1 PHE 13 HZ -0.09 -0.02 -0.12 -0.04 7.32 7.05 1zhyA1 LEU 14 H -0.39 0.73 -0.01 -0.55 8.37 8.15 1zhyA1 LEU 14 HA -0.68 -0.02 0.38 -0.75 4.35 3.27 1zhyA1 LEU 14 HB2 -0.19 0.12 0.15 -0.04 1.64 1.68 1zhyA1 LEU 14 HB3 -0.21 -0.09 0.04 -0.04 1.64 1.35 1zhyA1 LEU 14 HG -0.68 0.26 0.08 -0.04 1.64 1.26 1zhyA1 LEU 14 HD13 0.13 0.01 0.02 -0.04 0.93 1.05 1zhyA1 LEU 14 HD23 -0.24 -0.01 -0.07 -0.04 0.89 0.53 1zhyA1 LYS 15 H -0.20 0.47 -0.36 -0.55 8.42 7.77 1zhyA1 LYS 15 HA -0.15 0.03 0.53 -0.75 4.32 3.96 1zhyA1 LYS 15 HB2 -0.09 0.12 0.12 -0.04 1.87 1.98 1zhyA1 LYS 15 HB3 -0.08 -0.07 0.06 -0.04 1.79 1.66 1zhyA1 LYS 15 HG2 -0.07 -0.06 0.00 -0.04 1.46 1.28 1zhyA1 LYS 15 HG3 -0.07 0.38 0.07 -0.04 1.46 1.80 1zhyA1 LYS 15 HD2 -0.03 -0.02 -0.04 -0.04 1.69 1.56 1zhyA1 LYS 15 HD3 -0.04 -0.04 0.00 -0.04 1.68 1.56 1zhyA1 LYS 15 HE2 -0.02 -0.01 -0.01 -0.04 2.99 2.90 1zhyA1 LYS 15 HE3 -0.01 0.01 -0.05 -0.04 2.99 2.91 1zhyA1 SER 16 H -0.27 0.47 -0.22 -0.55 8.46 7.89 1zhyA1 SER 16 HA -0.12 0.04 0.46 -0.75 4.49 4.12 1zhyA1 SER 16 HB2 -0.09 -0.02 0.11 -0.04 3.95 3.91 1zhyA1 SER 16 HB3 -0.11 0.08 0.17 -0.04 3.93 4.04 1zhyA1 ILE 17 H -0.51 0.36 -0.42 -0.55 8.25 7.12 1zhyA1 ILE 17 HA -0.57 -0.02 0.38 -0.75 4.18 3.22 1zhyA1 ILE 17 HB -0.58 0.28 0.12 -0.04 1.89 1.67 1zhyA1 ILE 17 HG12 -1.16 0.32 0.06 -0.04 1.49 0.67 1zhyA1 ILE 17 HG13 -1.01 -0.04 -0.04 -0.04 1.21 0.08 1zhyA1 ILE 17 HG23 -1.34 -0.03 -0.10 -0.04 0.93 -0.59 1zhyA1 ILE 17 HD13 -1.36 -0.04 -0.10 -0.04 0.88 -0.66 1zhyA1 ALA 18 H -0.24 0.30 -0.30 -0.55 8.40 7.62 1zhyA1 ALA 18 HA -0.11 0.00 0.35 -0.75 4.34 3.83 1zhyA1 ALA 18 HB3 -0.09 0.05 0.11 -0.04 1.41 1.43 1zhyA1 SER 19 H -0.09 0.26 -0.72 -0.55 8.46 7.37 1zhyA1 SER 19 HA -0.01 0.18 0.83 -0.75 4.49 4.73 1zhyA1 SER 19 HB2 -0.02 -0.06 0.13 -0.04 3.95 3.96 1zhyA1 SER 19 HB3 -0.03 -0.04 -0.04 -0.04 3.93 3.77 1zhyA1 PHE 20 H 0.08 0.56 -0.27 -0.55 8.34 8.16 1zhyA1 PHE 20 HA -0.05 -0.02 0.38 -0.75 4.62 4.17 1zhyA1 PHE 20 HB2 -0.13 0.14 0.19 -0.04 3.15 3.31 1zhyA1 PHE 20 HB3 0.05 0.01 0.13 -0.04 3.06 3.21 1zhyA1 PHE 20 HD2 0.12 0.06 -0.04 -0.04 7.28 7.38 1zhyA1 PHE 20 HE2 0.08 0.18 -0.42 -0.04 7.38 7.18 1zhyA1 PHE 20 HZ 0.05 0.04 -0.39 -0.04 7.32 6.98 1zhyA1 ASN 21 H -0.27 0.11 0.20 -0.55 8.53 8.01 1zhyA1 ASN 21 HA -0.19 0.23 0.68 -0.75 4.76 4.73 1zhyA1 ASN 21 HB2 -0.13 -0.01 0.19 -0.04 2.88 2.89 1zhyA1 ASN 21 HB3 -0.10 0.12 0.13 -0.04 2.79 2.90 1zhyA1 ASN 21 HD21 -0.03 -0.01 0.05 -0.04 7.03 7.01 1zhyA1 ASN 21 HD22 -0.04 0.08 0.07 -0.04 7.74 7.80 1zhyA1 GLY 22 H -2.09 0.07 -0.30 -0.55 8.43 5.56 1zhyA1 GLY 22 HA2 -0.57 0.08 0.32 -0.51 4.01 3.33 1zhyA1 GLY 22 HA3 -0.33 0.23 0.83 -0.51 4.01 4.24 1zhyA1 ASP 23 H -0.46 0.11 -0.27 -0.55 8.40 7.23 1zhyA1 ASP 23 HA 0.00 0.21 0.95 -0.75 4.63 5.03 1zhyA1 ASP 23 HB2 -0.05 0.11 0.00 -0.04 2.71 2.73 1zhyA1 ASP 23 HB3 -0.06 0.02 0.10 -0.04 2.70 2.72 1zhyA1 LEU 24 H 0.25 0.28 0.11 -0.55 8.37 8.47 1zhyA1 LEU 24 HA 0.51 0.07 0.29 -0.75 4.35 4.47 1zhyA1 LEU 24 HB2 0.10 0.01 0.06 -0.04 1.64 1.76 1zhyA1 LEU 24 HB3 0.11 0.06 0.01 -0.04 1.64 1.78 1zhyA1 LEU 24 HG 0.23 0.03 0.03 -0.04 1.64 1.89 1zhyA1 LEU 24 HD13 -0.00 0.01 -0.05 -0.04 0.93 0.85 1zhyA1 LEU 24 HD23 -0.15 -0.00 -0.10 -0.04 0.89 0.60 1zhyA1 SER 25 H 0.09 0.04 -0.37 -0.55 8.46 7.68 1zhyA1 SER 25 HA 0.07 0.13 0.40 -0.75 4.49 4.34 1zhyA1 SER 25 HB2 0.04 -0.01 0.08 -0.04 3.95 4.01 1zhyA1 SER 25 HB3 0.06 -0.01 -0.02 -0.04 3.93 3.91 1zhyA1 SER 26 H 0.14 0.48 -0.44 -0.55 8.46 8.10 1zhyA1 SER 26 HA 0.06 0.14 0.64 -0.75 4.49 4.59 1zhyA1 SER 26 HB2 0.03 -0.01 0.13 -0.04 3.95 4.06 1zhyA1 SER 26 HB3 0.03 -0.08 0.05 -0.04 3.93 3.89 1zhyA1 LEU 27 H 0.15 0.39 -0.29 -0.55 8.37 8.08 1zhyA1 LEU 27 HA 0.07 0.07 0.51 -0.75 4.35 4.24 1zhyA1 LEU 27 HB2 0.23 0.11 0.07 -0.04 1.64 2.00 1zhyA1 LEU 27 HB3 0.33 -0.01 -0.11 -0.04 1.64 1.81 1zhyA1 LEU 27 HG 0.27 -0.04 -0.00 -0.04 1.64 1.83 1zhyA1 LEU 27 HD13 0.11 -0.01 -0.06 -0.04 0.93 0.94 1zhyA1 LEU 27 HD23 -0.11 0.00 -0.18 -0.04 0.89 0.56 1zhyA1 SER 28 H 0.08 0.15 0.06 -0.55 8.46 8.20 1zhyA1 SER 28 HA 0.08 0.14 0.49 -0.75 4.49 4.45 1zhyA1 SER 28 HB2 0.08 -0.03 0.04 -0.04 3.95 4.00 1zhyA1 SER 28 HB3 0.05 0.03 0.05 -0.04 3.93 4.02 1zhyA1 ALA 29 H 0.04 0.49 -0.21 -0.55 8.40 8.17 1zhyA1 ALA 29 HA -0.69 0.08 0.45 -0.75 4.34 3.43 1zhyA1 ALA 29 HB3 -0.21 0.00 -0.05 -0.04 1.41 1.12 1zhyA1 PRO 30 HA -0.29 0.12 0.44 -0.51 4.44 4.20 1zhyA1 PRO 30 HB2 -0.63 -0.06 -0.00 -0.04 2.28 1.55 1zhyA1 PRO 30 HB3 -0.06 0.01 0.04 -0.04 2.02 1.96 1zhyA1 PRO 30 HG2 -1.13 -0.03 -0.02 -0.04 2.03 0.81 1zhyA1 PRO 30 HG3 -0.17 0.01 -0.12 -0.04 2.03 1.72 1zhyA1 PRO 30 HD2 -0.75 0.05 0.18 -0.04 3.68 3.12 1zhyA1 PRO 30 HD3 -0.28 0.34 0.21 -0.04 3.65 3.89 1zhyA1 PRO 31 HA -0.31 0.08 0.35 -0.51 4.44 4.06 1zhyA1 PRO 31 HB2 -0.28 0.05 0.07 -0.04 2.28 2.08 1zhyA1 PRO 31 HB3 -0.28 0.04 -0.01 -0.04 2.02 1.72 1zhyA1 PRO 31 HG2 -1.36 -0.01 0.03 -0.04 2.03 0.64 1zhyA1 PRO 31 HG3 -0.79 0.05 0.01 -0.04 2.03 1.26 1zhyA1 PRO 31 HD2 -0.80 0.07 0.18 -0.04 3.68 3.09 1zhyA1 PRO 31 HD3 -1.15 0.14 0.19 -0.04 3.65 2.79 1zhyA1 PHE 32 H -0.34 0.03 -0.24 -0.55 8.34 7.24 1zhyA1 PHE 32 HA -0.15 0.17 0.36 -0.75 4.62 4.24 1zhyA1 PHE 32 HB2 -0.45 0.08 0.09 -0.04 3.15 2.84 1zhyA1 PHE 32 HB3 -0.23 -0.00 0.07 -0.04 3.06 2.86 1zhyA1 PHE 32 HD2 -0.50 0.05 -0.24 -0.04 7.28 6.55 1zhyA1 PHE 32 HE2 -0.48 -0.04 -0.05 -0.04 7.38 6.77 1zhyA1 PHE 32 HZ 0.11 -0.00 -0.05 -0.04 7.32 7.34 1zhyA1 ILE 33 H -0.51 0.44 -0.49 -0.55 8.25 7.14 1zhyA1 ILE 33 HA -0.04 0.26 0.81 -0.75 4.18 4.46 1zhyA1 ILE 33 HB -0.29 -0.07 -0.07 -0.04 1.89 1.42 1zhyA1 ILE 33 HG12 0.21 -0.07 -0.03 -0.04 1.49 1.56 1zhyA1 ILE 33 HG13 0.01 -0.13 0.14 -0.04 1.21 1.18 1zhyA1 ILE 33 HG23 -0.31 0.04 -0.16 -0.04 0.93 0.46 1zhyA1 ILE 33 HD13 -0.01 0.05 -0.04 -0.04 0.88 0.84 1zhyA1 LEU 34 H -0.17 0.47 -0.19 -0.55 8.37 7.94 1zhyA1 LEU 34 HA -0.11 0.08 0.76 -0.75 4.35 4.32 1zhyA1 LEU 34 HB2 -0.13 0.09 0.05 -0.04 1.64 1.60 1zhyA1 LEU 34 HB3 -0.12 -0.01 -0.08 -0.04 1.64 1.38 1zhyA1 LEU 34 HG -0.23 0.12 -0.27 -0.04 1.64 1.22 1zhyA1 LEU 34 HD13 -0.16 -0.02 -0.12 -0.04 0.93 0.59 1zhyA1 LEU 34 HD23 -0.14 0.00 -0.18 -0.04 0.89 0.54 1zhyA1 SER 35 H -0.08 0.69 0.19 -0.55 8.46 8.71 1zhyA1 SER 35 HA -0.04 0.26 0.77 -0.75 4.49 4.73 1zhyA1 SER 35 HB2 -0.00 0.03 -0.19 -0.04 3.95 3.74 1zhyA1 SER 35 HB3 -0.03 0.10 -0.23 -0.04 3.93 3.73 1zhyA1 PRO 36 HA -0.11 0.12 0.50 -0.51 4.44 4.43 1zhyA1 PRO 36 HB2 -0.03 -0.06 0.12 -0.04 2.28 2.26 1zhyA1 PRO 36 HB3 -0.05 0.10 0.08 -0.04 2.02 2.11 1zhyA1 PRO 36 HG2 -0.04 -0.03 -0.11 -0.04 2.03 1.81 1zhyA1 PRO 36 HG3 -0.03 0.09 0.00 -0.04 2.03 2.05 1zhyA1 PRO 36 HD2 -0.04 0.08 0.14 -0.04 3.68 3.82 1zhyA1 PRO 36 HD3 -0.04 0.29 0.08 -0.04 3.65 3.93 1zhyA1 ILE 37 H -0.07 0.12 -0.53 -0.55 8.25 7.22 1zhyA1 ILE 37 HA -0.11 0.11 0.81 -0.75 4.18 4.24 1zhyA1 ILE 37 HB 0.04 0.01 -0.04 -0.04 1.89 1.87 1zhyA1 ILE 37 HG12 -0.04 -0.01 -0.14 -0.04 1.49 1.26 1zhyA1 ILE 37 HG13 -0.05 0.04 -0.11 -0.04 1.21 1.05 1zhyA1 ILE 37 HG23 -0.05 0.03 -0.16 -0.04 0.93 0.70 1zhyA1 ILE 37 HD13 -0.06 0.03 -0.20 -0.04 0.88 0.61 1zhyA1 SER 38 H -0.19 0.11 0.10 -0.55 8.46 7.93 1zhyA1 SER 38 HA -0.34 0.23 0.62 -0.75 4.49 4.24 1zhyA1 SER 38 HB2 -0.49 0.11 -0.01 -0.04 3.95 3.52 1zhyA1 SER 38 HB3 -0.13 -0.06 0.06 -0.04 3.93 3.75 1zhyA1 LEU 39 H -0.25 0.58 0.20 -0.55 8.37 8.34 1zhyA1 LEU 39 HA -0.69 0.10 0.37 -0.75 4.35 3.38 1zhyA1 LEU 39 HB2 -0.23 0.04 0.11 -0.04 1.64 1.52 1zhyA1 LEU 39 HB3 -0.31 -0.01 0.00 -0.04 1.64 1.28 1zhyA1 LEU 39 HG -0.46 0.05 -0.02 -0.04 1.64 1.17 1zhyA1 LEU 39 HD13 -0.20 0.02 -0.04 -0.04 0.93 0.66 1zhyA1 LEU 39 HD23 -1.05 -0.00 -0.03 -0.04 0.89 -0.23 1zhyA1 THR 40 H -0.11 0.07 -0.41 -0.55 8.28 7.28 1zhyA1 THR 40 HA -0.02 0.11 0.32 -0.75 4.39 4.05 1zhyA1 THR 40 HB 0.07 0.03 -0.19 -0.04 4.32 4.19 1zhyA1 THR 40 HG23 -0.06 0.01 -0.10 -0.04 1.22 1.02 1zhyA1 GLU 41 H -0.17 0.47 -0.44 -0.55 8.60 7.91 1zhyA1 GLU 41 HA -0.70 0.08 0.48 -0.75 4.29 3.39 1zhyA1 GLU 41 HB2 -0.25 0.26 0.01 -0.04 2.09 2.07 1zhyA1 GLU 41 HB3 -0.55 0.00 -0.06 -0.04 1.99 1.34 1zhyA1 GLU 41 HG2 -2.53 -0.03 -0.04 -0.04 2.34 -0.31 1zhyA1 GLU 41 HG3 -0.61 -0.09 -0.01 -0.04 2.34 1.59 1zhyA1 PHE 42 H 0.22 0.36 -0.37 -0.55 8.34 8.00 1zhyA1 PHE 42 HA -0.80 0.06 0.26 -0.75 4.62 3.39 1zhyA1 PHE 42 HB2 -0.08 0.18 0.04 -0.04 3.15 3.25 1zhyA1 PHE 42 HB3 -0.02 0.01 -0.03 -0.04 3.06 2.98 1zhyA1 PHE 42 HD2 -0.08 -0.05 -0.06 -0.04 7.28 7.05 1zhyA1 PHE 42 HE2 -0.04 0.02 -0.16 -0.04 7.38 7.17 1zhyA1 PHE 42 HZ -0.01 0.02 -0.08 -0.04 7.32 7.21 1zhyA1 SER 43 H -0.01 0.24 -0.63 -0.55 8.46 7.51 1zhyA1 SER 43 HA -0.16 0.08 0.19 -0.75 4.49 3.84 1zhyA1 SER 43 HB2 0.08 0.05 -0.12 -0.04 3.95 3.92 1zhyA1 SER 43 HB3 -0.14 -0.03 -0.11 -0.04 3.93 3.61 1zhyA1 GLN 44 H -0.11 0.48 -0.43 -0.55 8.47 7.86 1zhyA1 GLN 44 HA 0.29 0.03 0.25 -0.75 4.36 4.17 1zhyA1 GLN 44 HB2 0.11 -0.08 -0.01 -0.04 2.15 2.13 1zhyA1 GLN 44 HB3 0.11 0.00 -0.00 -0.04 2.02 2.09 1zhyA1 GLN 44 HG2 -0.65 0.14 -0.07 -0.04 2.40 1.78 1zhyA1 GLN 44 HG3 -0.11 -0.05 -0.31 -0.04 2.39 1.87 1zhyA1 GLN 44 HE21 -0.22 -0.09 -0.06 -0.04 6.97 6.56 1zhyA1 GLN 44 HE22 -0.41 0.40 -0.01 -0.04 7.69 7.62 1zhyA1 TYR 45 H -0.25 0.53 -0.54 -0.55 8.29 7.48 1zhyA1 TYR 45 HA -0.08 -0.00 0.28 -0.75 4.56 4.00 1zhyA1 TYR 45 HB2 -0.41 0.15 -0.05 -0.04 3.06 2.71 1zhyA1 TYR 45 HB3 -0.41 -0.07 -0.07 -0.04 2.98 2.39 1zhyA1 TYR 45 HD2 -0.26 -0.02 -0.07 -0.04 7.15 6.76 1zhyA1 TYR 45 HE2 -1.11 -0.04 -0.07 -0.04 6.85 5.59 1zhyA1 TRP 46 H 0.25 0.38 -0.66 -0.55 7.97 7.39 1zhyA1 TRP 46 HA -0.03 0.14 0.55 -0.75 4.62 4.52 1zhyA1 TRP 46 HB2 -0.00 0.12 -0.05 -0.04 3.23 3.26 1zhyA1 TRP 46 HB3 0.29 -0.04 -0.03 -0.04 3.23 3.40 1zhyA1 TRP 46 HD1 -0.48 0.12 -0.05 -0.04 7.22 6.78 1zhyA1 TRP 46 HE1 -0.32 -0.02 -0.19 -0.04 10.20 9.63 1zhyA1 TRP 46 HE3 0.27 0.00 -0.06 -0.04 7.59 7.77 1zhyA1 TRP 46 HZ2 0.17 0.02 -0.16 -0.04 7.44 7.43 1zhyA1 TRP 46 HZ3 0.22 -0.01 -0.11 -0.04 7.13 7.19 1zhyA1 TRP 46 HH2 0.22 0.01 -0.18 -0.04 7.19 7.20 1zhyA1 ALA 47 H 0.07 0.40 -0.30 -0.55 8.40 8.02 1zhyA1 ALA 47 HA 0.04 0.16 0.56 -0.75 4.34 4.35 1zhyA1 ALA 47 HB3 -1.01 0.01 -0.13 -0.04 1.41 0.24 1zhyA1 GLU 48 H -0.05 0.24 -0.13 -0.55 8.60 8.12 1zhyA1 GLU 48 HA -0.03 0.25 0.56 -0.75 4.29 4.31 1zhyA1 GLU 48 HB2 -0.10 0.05 0.03 -0.04 2.09 2.03 1zhyA1 GLU 48 HB3 -0.12 -0.13 0.12 -0.04 1.99 1.82 1zhyA1 GLU 48 HG2 0.44 0.05 -0.06 -0.04 2.34 2.73 1zhyA1 GLU 48 HG3 0.24 0.08 -0.07 -0.04 2.34 2.55 1zhyA1 HIS 49 H -0.08 0.10 -0.79 -0.55 8.41 7.09 1zhyA1 HIS 49 HA 0.00 0.21 0.71 -0.75 4.63 4.80 1zhyA1 HIS 49 HB2 0.06 0.02 0.01 -0.04 3.26 3.32 1zhyA1 HIS 49 HB3 0.07 -0.11 0.06 -0.04 3.20 3.17 1zhyA1 HIS 49 HD2 0.06 -0.01 -0.07 -0.04 6.97 6.90 1zhyA1 HIS 49 HE1 0.05 0.02 -0.04 -0.04 7.75 7.73 1zhyA1 PRO 50 HA -0.20 0.10 0.36 -0.51 4.44 4.19 1zhyA1 PRO 50 HB2 0.19 -0.02 0.01 -0.04 2.28 2.42 1zhyA1 PRO 50 HB3 0.02 0.06 0.02 -0.04 2.02 2.08 1zhyA1 PRO 50 HG2 0.07 -0.02 0.01 -0.04 2.03 2.05 1zhyA1 PRO 50 HG3 -0.61 0.14 0.03 -0.04 2.03 1.55 1zhyA1 PRO 50 HD2 0.04 0.09 0.07 -0.04 3.68 3.84 1zhyA1 PRO 50 HD3 -0.18 0.28 -0.43 -0.04 3.65 3.28 1zhyA1 GLU 51 H 0.12 0.14 -0.26 -0.55 8.60 8.06 1zhyA1 GLU 51 HA -0.27 0.10 0.36 -0.75 4.29 3.73 1zhyA1 GLU 51 HB2 0.17 0.04 0.01 -0.04 2.09 2.27 1zhyA1 GLU 51 HB3 0.21 -0.01 0.03 -0.04 1.99 2.18 1zhyA1 GLU 51 HG2 0.08 0.07 -0.29 -0.04 2.34 2.16 1zhyA1 GLU 51 HG3 0.09 0.04 -0.09 -0.04 2.34 2.35 1zhyA1 LEU 52 H 0.11 0.22 -0.26 -0.55 8.37 7.89 1zhyA1 LEU 52 HA 0.06 0.07 0.47 -0.75 4.35 4.19 1zhyA1 LEU 52 HB2 0.26 0.11 0.04 -0.04 1.64 2.01 1zhyA1 LEU 52 HB3 0.19 0.00 -0.04 -0.04 1.64 1.75 1zhyA1 LEU 52 HG 0.09 -0.09 -0.04 -0.04 1.64 1.56 1zhyA1 LEU 52 HD13 -0.09 0.02 -0.10 -0.04 0.93 0.72 1zhyA1 LEU 52 HD23 0.03 0.00 -0.11 -0.04 0.89 0.77 1zhyA1 PHE 53 H 0.14 0.36 -0.18 -0.55 8.34 8.11 1zhyA1 PHE 53 HA -0.76 0.05 0.36 -0.75 4.62 3.52 1zhyA1 PHE 53 HB2 -0.14 -0.02 -0.00 -0.04 3.15 2.94 1zhyA1 PHE 53 HB3 -0.29 0.08 0.07 -0.04 3.06 2.88 1zhyA1 PHE 53 HD2 -0.61 0.03 -0.10 -0.04 7.28 6.57 1zhyA1 PHE 53 HE2 -0.24 -0.04 -0.17 -0.04 7.38 6.89 1zhyA1 PHE 53 HZ -0.13 0.08 -0.20 -0.04 7.32 7.02 1zhyA1 LEU 54 H -0.21 0.36 -0.26 -0.55 8.37 7.72 1zhyA1 LEU 54 HA -0.57 0.13 0.63 -0.75 4.35 3.78 1zhyA1 LEU 54 HB2 -0.52 0.04 0.02 -0.04 1.64 1.14 1zhyA1 LEU 54 HB3 -0.52 -0.03 0.02 -0.04 1.64 1.06 1zhyA1 LEU 54 HG -0.16 0.06 -0.02 -0.04 1.64 1.48 1zhyA1 LEU 54 HD13 -0.44 0.00 -0.06 -0.04 0.93 0.39 1zhyA1 LEU 54 HD23 -0.25 -0.01 -0.09 -0.04 0.89 0.51 1zhyA1 GLU 55 H -0.13 0.33 -0.26 -0.55 8.60 8.00 1zhyA1 GLU 55 HA 0.27 -0.03 0.28 -0.75 4.29 4.05 1zhyA1 GLU 55 HB2 0.06 0.14 0.14 -0.04 2.09 2.39 1zhyA1 GLU 55 HB3 -0.01 0.12 0.08 -0.04 1.99 2.14 1zhyA1 GLU 55 HG2 0.08 -0.01 -0.05 -0.04 2.34 2.32 1zhyA1 GLU 55 HG3 0.09 -0.05 -0.28 -0.04 2.34 2.05 1zhyA1 PRO 56 HA -0.08 -0.02 0.40 -0.51 4.44 4.23 1zhyA1 PRO 56 HB2 -0.29 0.07 -0.06 -0.04 2.28 1.96 1zhyA1 PRO 56 HB3 -0.19 -0.05 0.06 -0.04 2.02 1.80 1zhyA1 PRO 56 HG2 -0.34 0.07 -0.09 -0.04 2.03 1.63 1zhyA1 PRO 56 HG3 -0.15 -0.08 -0.12 -0.04 2.03 1.64 1zhyA1 PRO 56 HD2 -0.38 0.27 -0.41 -0.04 3.68 3.12 1zhyA1 PRO 56 HD3 -0.16 0.22 -0.11 -0.04 3.65 3.55 1zhyA1 SER 57 H -0.40 0.53 -0.31 -0.55 8.46 7.73 1zhyA1 SER 57 HA -0.23 0.04 0.47 -0.75 4.49 4.02 1zhyA1 SER 57 HB2 -0.35 0.08 0.14 -0.04 3.95 3.79 1zhyA1 SER 57 HB3 -0.42 -0.06 0.09 -0.04 3.93 3.50 1zhyA1 PHE 58 H -0.19 0.49 -0.28 -0.55 8.34 7.80 1zhyA1 PHE 58 HA -0.04 0.13 0.67 -0.75 4.62 4.63 1zhyA1 PHE 58 HB2 0.08 0.11 0.03 -0.04 3.15 3.32 1zhyA1 PHE 58 HB3 0.13 -0.09 0.06 -0.04 3.06 3.12 1zhyA1 PHE 58 HD2 0.02 -0.01 -0.10 -0.04 7.28 7.16 1zhyA1 PHE 58 HE2 -0.12 -0.01 -0.15 -0.04 7.38 7.06 1zhyA1 PHE 58 HZ 0.11 0.03 -0.19 -0.04 7.32 7.23 1zhyA1 ILE 59 H -0.05 0.33 -0.31 -0.55 8.25 7.67 1zhyA1 ILE 59 HA -0.27 0.01 0.59 -0.75 4.18 3.76 1zhyA1 ILE 59 HB -0.03 0.15 0.14 -0.04 1.89 2.11 1zhyA1 ILE 59 HG12 0.01 -0.03 -0.13 -0.04 1.49 1.31 1zhyA1 ILE 59 HG13 0.04 0.18 -0.09 -0.04 1.21 1.29 1zhyA1 ILE 59 HG23 0.06 -0.06 -0.13 -0.04 0.93 0.76 1zhyA1 ILE 59 HD13 0.06 -0.03 -0.21 -0.04 0.88 0.66 1zhyA1 ASN 60 H -0.04 0.07 0.14 -0.55 8.53 8.15 1zhyA1 ASN 60 HA -0.00 0.28 0.83 -0.75 4.76 5.11 1zhyA1 ASN 60 HB2 0.02 -0.13 0.17 -0.04 2.88 2.89 1zhyA1 ASN 60 HB3 -0.00 0.23 -0.15 -0.04 2.79 2.83 1zhyA1 ASN 60 HD21 0.03 0.03 -0.06 -0.04 7.03 6.99 1zhyA1 ASN 60 HD22 0.02 0.14 -0.15 -0.04 7.74 7.72 1zhyA1 ASP 61 H 0.03 0.25 0.17 -0.55 8.40 8.30 1zhyA1 ASP 61 HA 0.11 0.05 0.44 -0.75 4.63 4.48 1zhyA1 ASP 61 HB2 0.04 0.02 0.12 -0.04 2.71 2.85 1zhyA1 ASP 61 HB3 0.07 0.06 0.10 -0.04 2.70 2.89 1zhyA1 ASP 62 H 0.08 0.04 -0.34 -0.55 8.40 7.63 1zhyA1 ASP 62 HA 0.07 0.27 0.90 -0.75 4.63 5.12 1zhyA1 ASP 62 HB2 0.04 0.01 0.02 -0.04 2.71 2.74 1zhyA1 ASP 62 HB3 0.04 0.05 0.13 -0.04 2.70 2.88 1zhyA1 ASN 63 H 0.10 0.20 -0.09 -0.55 8.53 8.20 1zhyA1 ASN 63 HA 0.01 0.20 0.75 -0.75 4.76 4.97 1zhyA1 ASN 63 HB2 0.16 0.02 0.12 -0.04 2.88 3.15 1zhyA1 ASN 63 HB3 0.06 0.06 -0.22 -0.04 2.79 2.64 1zhyA1 ASN 63 HD21 -0.24 0.59 0.14 -0.04 7.03 7.48 1zhyA1 ASN 63 HD22 0.06 -0.03 -0.01 -0.04 7.74 7.72 1zhyA1 TYR 64 H 0.24 0.29 0.11 -0.55 8.29 8.38 1zhyA1 TYR 64 HA -0.00 0.06 0.32 -0.75 4.56 4.18 1zhyA1 TYR 64 HB2 0.02 -0.02 -0.01 -0.04 3.06 3.01 1zhyA1 TYR 64 HB3 -0.01 0.15 0.08 -0.04 2.98 3.16 1zhyA1 TYR 64 HD2 0.03 0.05 -0.20 -0.04 7.15 6.98 1zhyA1 TYR 64 HE2 0.03 0.22 -0.17 -0.04 6.85 6.89 1zhyA1 LYS 65 H -0.71 0.10 -0.23 -0.55 8.42 7.02 1zhyA1 LYS 65 HA -0.08 0.10 0.43 -0.75 4.32 4.02 1zhyA1 LYS 65 HB2 -0.27 -0.06 0.00 -0.04 1.87 1.51 1zhyA1 LYS 65 HB3 -0.13 0.27 0.06 -0.04 1.79 1.94 1zhyA1 LYS 65 HG2 -0.29 0.14 -0.10 -0.04 1.46 1.17 1zhyA1 LYS 65 HG3 -1.49 -0.16 -0.05 -0.04 1.46 -0.28 1zhyA1 LYS 65 HD2 -0.17 -0.01 -0.05 -0.04 1.69 1.42 1zhyA1 LYS 65 HD3 -0.23 -0.05 -0.03 -0.04 1.68 1.33 1zhyA1 LYS 65 HE2 -0.07 0.13 0.05 -0.04 2.99 3.06 1zhyA1 LYS 65 HE3 -0.02 0.05 -0.03 -0.04 2.99 2.94 1zhyA1 GLU 66 H -0.05 0.05 -0.28 -0.55 8.60 7.78 1zhyA1 GLU 66 HA 0.00 0.10 0.41 -0.75 4.29 4.05 1zhyA1 GLU 66 HB2 0.09 0.08 0.10 -0.04 2.09 2.32 1zhyA1 GLU 66 HB3 0.03 0.00 0.03 -0.04 1.99 2.00 1zhyA1 GLU 66 HG2 0.00 0.01 0.03 -0.04 2.34 2.34 1zhyA1 GLU 66 HG3 -0.02 0.02 -0.01 -0.04 2.34 2.29 1zhyA1 HIS 67 H 0.21 0.32 -0.26 -0.55 8.41 8.14 1zhyA1 HIS 67 HA 0.02 0.08 0.48 -0.75 4.63 4.46 1zhyA1 HIS 67 HB2 0.07 0.01 0.02 -0.04 3.26 3.32 1zhyA1 HIS 67 HB3 0.06 -0.04 -0.10 -0.04 3.20 3.07 1zhyA1 HIS 67 HD2 0.03 0.00 -0.07 -0.04 6.97 6.89 1zhyA1 HIS 67 HE1 0.07 -0.02 -0.08 -0.04 7.75 7.68 1zhyA1 CYS 68 H 0.11 0.30 -0.41 -0.55 8.50 7.96 1zhyA1 CYS 68 HA 0.08 0.03 0.58 -0.75 4.58 4.51 1zhyA1 CYS 68 HB2 0.13 0.14 0.11 -0.04 2.97 3.31 1zhyA1 CYS 68 HB3 0.09 0.14 0.09 -0.04 2.97 3.24 1zhyA1 LEU 69 H 0.04 0.28 0.14 -0.55 8.37 8.28 1zhyA1 LEU 69 HA 0.03 0.14 0.34 -0.75 4.35 4.10 1zhyA1 LEU 69 HB2 0.01 -0.03 0.09 -0.04 1.64 1.67 1zhyA1 LEU 69 HB3 0.01 -0.00 -0.01 -0.04 1.64 1.60 1zhyA1 LEU 69 HG -0.00 0.13 0.01 -0.04 1.64 1.74 1zhyA1 LEU 69 HD13 -0.01 -0.01 -0.01 -0.04 0.93 0.86 1zhyA1 LEU 69 HD23 -0.01 0.00 -0.05 -0.04 0.89 0.79 1zhyA1 ILE 70 H 0.05 0.06 -0.12 -0.55 8.25 7.69 1zhyA1 ILE 70 HA 0.08 0.13 0.41 -0.75 4.18 4.04 1zhyA1 ILE 70 HB 0.15 -0.02 -0.05 -0.04 1.89 1.93 1zhyA1 ILE 70 HG12 0.06 -0.11 -0.01 -0.04 1.49 1.39 1zhyA1 ILE 70 HG13 0.05 0.00 -0.18 -0.04 1.21 1.04 1zhyA1 ILE 70 HG23 0.11 0.04 0.04 -0.04 0.93 1.08 1zhyA1 ILE 70 HD13 0.15 0.01 -0.08 -0.04 0.88 0.91 1zhyA1 ASP 71 H 0.08 0.15 -0.70 -0.55 8.40 7.38 1zhyA1 ASP 71 HA 0.10 0.17 0.46 -0.75 4.63 4.61 1zhyA1 ASP 71 HB2 0.22 0.15 -0.23 -0.04 2.71 2.82 1zhyA1 ASP 71 HB3 0.15 -0.07 -0.00 -0.04 2.70 2.74 1zhyA1 PRO 72 HA 0.03 0.32 0.56 -0.51 4.44 4.85 1zhyA1 PRO 72 HB2 0.01 -0.04 0.07 -0.04 2.28 2.27 1zhyA1 PRO 72 HB3 0.02 0.11 0.11 -0.04 2.02 2.22 1zhyA1 PRO 72 HG2 0.04 -0.03 -0.05 -0.04 2.03 1.94 1zhyA1 PRO 72 HG3 0.03 0.03 0.02 -0.04 2.03 2.07 1zhyA1 PRO 72 HD2 0.06 0.06 0.05 -0.04 3.68 3.81 1zhyA1 PRO 72 HD3 0.05 0.33 -0.02 -0.04 3.65 3.97 1zhyA1 GLU 73 H 0.08 -0.01 -0.78 -0.55 8.60 7.34 1zhyA1 GLU 73 HA 0.04 0.21 0.73 -0.75 4.29 4.51 1zhyA1 GLU 73 HB2 0.07 -0.02 -0.07 -0.04 2.09 2.02 1zhyA1 GLU 73 HB3 0.05 -0.00 0.08 -0.04 1.99 2.07 1zhyA1 GLU 73 HG2 0.04 -0.05 -0.18 -0.04 2.34 2.12 1zhyA1 GLU 73 HG3 0.04 -0.00 -0.06 -0.04 2.34 2.27 1zhyA1 VAL 74 H 0.12 0.50 -0.21 -0.55 8.24 8.10 1zhyA1 VAL 74 HA 0.23 -0.05 0.33 -0.75 4.13 3.89 1zhyA1 VAL 74 HB 0.18 0.16 0.11 -0.04 2.12 2.52 1zhyA1 VAL 74 HG13 0.28 0.01 -0.13 -0.04 0.97 1.09 1zhyA1 VAL 74 HG23 0.20 -0.09 -0.13 -0.04 0.95 0.89 1zhyA1 GLU 75 H 0.16 0.06 0.17 -0.55 8.60 8.44 1zhyA1 GLU 75 HA 0.14 0.21 0.43 -0.75 4.29 4.32 1zhyA1 GLU 75 HB2 0.07 0.05 0.15 -0.04 2.09 2.31 1zhyA1 GLU 75 HB3 0.07 -0.08 0.08 -0.04 1.99 2.02 1zhyA1 GLU 75 HG2 0.03 -0.01 0.05 -0.04 2.34 2.37 1zhyA1 GLU 75 HG3 0.04 -0.04 0.03 -0.04 2.34 2.34 1zhyA1 SER 76 H 0.11 0.12 -0.18 -0.55 8.46 7.97 1zhyA1 SER 76 HA -0.34 0.27 0.57 -0.75 4.49 4.24 1zhyA1 SER 76 HB2 -0.15 0.01 0.14 -0.04 3.95 3.92 1zhyA1 SER 76 HB3 -0.04 0.22 -0.23 -0.04 3.93 3.83 1zhyA1 PRO 77 HA -0.25 0.11 0.43 -0.51 4.44 4.22 1zhyA1 PRO 77 HB2 -0.15 0.11 -0.14 -0.04 2.28 2.06 1zhyA1 PRO 77 HB3 -0.36 0.08 -0.14 -0.04 2.02 1.57 1zhyA1 PRO 77 HG2 -0.20 -0.00 0.09 -0.04 2.03 1.87 1zhyA1 PRO 77 HG3 -0.24 0.07 0.05 -0.04 2.03 1.87 1zhyA1 PRO 77 HD2 -0.38 0.15 0.26 -0.04 3.68 3.67 1zhyA1 PRO 77 HD3 -1.20 0.22 0.14 -0.04 3.65 2.77 1zhyA1 GLU 78 H -0.14 0.18 -0.12 -0.55 8.60 7.98 1zhyA1 GLU 78 HA -0.00 0.15 0.40 -0.75 4.29 4.08 1zhyA1 GLU 78 HB2 -0.03 -0.02 0.05 -0.04 2.09 2.04 1zhyA1 GLU 78 HB3 -0.01 0.03 -0.00 -0.04 1.99 1.97 1zhyA1 GLU 78 HG2 -0.04 0.09 0.06 -0.04 2.34 2.41 1zhyA1 GLU 78 HG3 -0.04 0.03 0.05 -0.04 2.34 2.34 1zhyA1 LEU 79 H -0.01 0.07 -0.36 -0.55 8.37 7.53 1zhyA1 LEU 79 HA 0.08 0.09 0.41 -0.75 4.35 4.19 1zhyA1 LEU 79 HB2 0.08 0.01 0.02 -0.04 1.64 1.71 1zhyA1 LEU 79 HB3 0.10 0.02 0.04 -0.04 1.64 1.75 1zhyA1 LEU 79 HG 0.23 0.02 -0.13 -0.04 1.64 1.72 1zhyA1 LEU 79 HD13 0.19 0.00 -0.04 -0.04 0.93 1.04 1zhyA1 LEU 79 HD23 0.24 -0.02 -0.01 -0.04 0.89 1.07 1zhyA1 ALA 80 H 0.04 0.37 -0.25 -0.55 8.40 8.01 1zhyA1 ALA 80 HA 0.08 0.04 0.36 -0.75 4.34 4.07 1zhyA1 ALA 80 HB3 0.15 0.05 0.05 -0.04 1.41 1.62 1zhyA1 ARG 81 H 0.04 0.56 -0.21 -0.55 8.46 8.30 1zhyA1 ARG 81 HA 0.01 0.05 0.46 -0.75 4.34 4.10 1zhyA1 ARG 81 HB2 0.08 0.04 0.15 -0.04 1.90 2.13 1zhyA1 ARG 81 HB3 0.05 -0.03 0.02 -0.04 1.80 1.80 1zhyA1 ARG 81 HG2 -0.02 -0.00 0.12 -0.04 1.67 1.72 1zhyA1 ARG 81 HG3 0.00 0.06 0.06 -0.04 1.67 1.76 1zhyA1 ARG 81 HD2 -0.00 -0.05 0.03 -0.04 3.22 3.15 1zhyA1 ARG 81 HD3 -0.03 0.28 0.11 -0.04 3.22 3.53 1zhyA1 MET 82 H 0.10 0.39 -0.28 -0.55 8.47 8.14 1zhyA1 MET 82 HA 0.17 0.04 0.38 -0.75 4.52 4.35 1zhyA1 MET 82 HB2 0.20 -0.01 0.04 -0.04 2.15 2.33 1zhyA1 MET 82 HB3 0.11 0.07 0.10 -0.04 2.03 2.26 1zhyA1 MET 82 HG2 0.13 -0.03 -0.16 -0.04 2.63 2.53 1zhyA1 MET 82 HG3 0.10 0.01 -0.35 -0.04 2.56 2.28 1zhyA1 MET 82 HE3 0.20 -0.02 -0.28 -0.04 2.10 1.95 1zhyA1 LEU 83 H 0.04 0.52 -0.27 -0.55 8.37 8.12 1zhyA1 LEU 83 HA 0.06 0.00 0.36 -0.75 4.35 4.02 1zhyA1 LEU 83 HB2 0.02 0.19 0.14 -0.04 1.64 1.94 1zhyA1 LEU 83 HB3 0.06 -0.04 -0.06 -0.04 1.64 1.56 1zhyA1 LEU 83 HG -0.17 0.06 -0.01 -0.04 1.64 1.48 1zhyA1 LEU 83 HD13 -0.27 -0.03 -0.11 -0.04 0.93 0.48 1zhyA1 LEU 83 HD23 -0.50 -0.01 -0.09 -0.04 0.89 0.24 1zhyA1 ALA 84 H 0.04 0.45 -0.24 -0.55 8.40 8.11 1zhyA1 ALA 84 HA 0.05 0.02 0.39 -0.75 4.34 4.03 1zhyA1 ALA 84 HB3 0.00 0.03 0.03 -0.04 1.41 1.43 1zhyA1 VAL 85 H -0.03 0.63 -0.15 -0.55 8.24 8.14 1zhyA1 VAL 85 HA 0.10 0.08 0.38 -0.75 4.13 3.93 1zhyA1 VAL 85 HB -0.18 0.05 0.09 -0.04 2.12 2.03 1zhyA1 VAL 85 HG13 0.01 -0.02 -0.17 -0.04 0.97 0.75 1zhyA1 VAL 85 HG23 -0.89 0.05 -0.03 -0.04 0.95 0.04 1zhyA1 THR 86 H 0.14 0.56 -0.32 -0.55 8.28 8.11 1zhyA1 THR 86 HA 0.23 -0.00 0.33 -0.75 4.39 4.19 1zhyA1 THR 86 HB 0.22 0.14 0.07 -0.04 4.32 4.71 1zhyA1 THR 86 HG23 0.14 -0.03 -0.21 -0.04 1.22 1.08 1zhyA1 LYS 87 H 0.22 0.55 -0.22 -0.55 8.42 8.42 1zhyA1 LYS 87 HA 0.03 -0.02 0.29 -0.75 4.32 3.87 1zhyA1 LYS 87 HB2 -0.26 0.03 0.06 -0.04 1.87 1.66 1zhyA1 LYS 87 HB3 -0.05 0.12 0.10 -0.04 1.79 1.92 1zhyA1 LYS 87 HG2 -0.31 -0.04 -0.19 -0.04 1.46 0.87 1zhyA1 LYS 87 HG3 -0.64 -0.04 -0.04 -0.04 1.46 0.70 1zhyA1 LYS 87 HD2 -0.40 0.03 -0.01 -0.04 1.69 1.27 1zhyA1 LYS 87 HD3 -0.13 -0.02 -0.03 -0.04 1.68 1.46 1zhyA1 LYS 87 HE2 0.02 -0.06 -0.04 -0.04 2.99 2.86 1zhyA1 LYS 87 HE3 -0.02 0.08 0.07 -0.04 2.99 3.08 1zhyA1 TRP 88 H 0.24 0.60 -0.24 -0.55 7.97 8.02 1zhyA1 TRP 88 HA -0.10 -0.06 0.32 -0.75 4.62 4.02 1zhyA1 TRP 88 HB2 -0.02 0.13 -0.10 -0.04 3.23 3.19 1zhyA1 TRP 88 HB3 0.00 0.10 0.13 -0.04 3.23 3.42 1zhyA1 TRP 88 HD1 0.09 -0.13 -0.22 -0.04 7.22 6.92 1zhyA1 TRP 88 HE1 0.18 0.25 0.07 -0.04 10.20 10.66 1zhyA1 TRP 88 HE3 0.11 0.16 0.01 -0.04 7.59 7.83 1zhyA1 TRP 88 HZ2 0.56 0.06 -0.02 -0.04 7.44 8.00 1zhyA1 TRP 88 HZ3 0.22 -0.05 -0.10 -0.04 7.13 7.16 1zhyA1 TRP 88 HH2 0.41 -0.06 -0.11 -0.04 7.19 7.39 1zhyA1 PHE 89 H 0.22 0.66 -0.16 -0.55 8.34 8.51 1zhyA1 PHE 89 HA -1.18 0.01 0.29 -0.75 4.62 2.98 1zhyA1 PHE 89 HB2 -0.09 0.01 0.03 -0.04 3.15 3.05 1zhyA1 PHE 89 HB3 -0.09 0.08 0.08 -0.04 3.06 3.09 1zhyA1 PHE 89 HD2 -0.19 0.00 -0.12 -0.04 7.28 6.92 1zhyA1 PHE 89 HE2 -0.04 -0.02 -0.14 -0.04 7.38 7.14 1zhyA1 PHE 89 HZ -0.00 0.04 -0.09 -0.04 7.32 7.23 1zhyA1 ILE 90 H -0.14 0.62 -0.23 -0.55 8.25 7.95 1zhyA1 ILE 90 HA -0.56 -0.03 0.33 -0.75 4.18 3.16 1zhyA1 ILE 90 HB -0.19 0.13 0.04 -0.04 1.89 1.83 1zhyA1 ILE 90 HG12 0.05 0.26 -0.03 -0.04 1.49 1.73 1zhyA1 ILE 90 HG13 0.10 -0.08 -0.16 -0.04 1.21 1.04 1zhyA1 ILE 90 HG23 -0.10 -0.03 -0.19 -0.04 0.93 0.57 1zhyA1 ILE 90 HD13 -0.59 -0.03 -0.15 -0.04 0.88 0.07 1zhyA1 SER 91 H -0.53 0.57 -0.29 -0.55 8.46 7.67 1zhyA1 SER 91 HA -0.40 -0.00 0.33 -0.75 4.49 3.67 1zhyA1 SER 91 HB2 -0.36 -0.09 0.04 -0.04 3.95 3.49 1zhyA1 SER 91 HB3 -0.71 0.07 0.07 -0.04 3.93 3.32 1zhyA1 THR 92 H -0.64 0.47 -0.46 -0.55 8.28 7.10 1zhyA1 THR 92 HA -0.29 0.01 0.45 -0.75 4.39 3.80 1zhyA1 THR 92 HB -0.69 0.06 0.08 -0.04 4.32 3.73 1zhyA1 THR 92 HG23 -0.78 0.04 -0.05 -0.04 1.22 0.39 1zhyA1 LEU 93 H -0.54 0.48 -0.26 -0.55 8.37 7.50 1zhyA1 LEU 93 HA -0.62 -0.01 0.28 -0.75 4.35 3.24 1zhyA1 LEU 93 HB2 -0.24 0.18 0.09 -0.04 1.64 1.63 1zhyA1 LEU 93 HB3 -1.19 -0.10 -0.04 -0.04 1.64 0.27 1zhyA1 LEU 93 HG -0.87 0.23 0.11 -0.04 1.64 1.07 1zhyA1 LEU 93 HD13 -0.62 -0.02 -0.05 -0.04 0.93 0.20 1zhyA1 LEU 93 HD23 -0.84 -0.03 -0.08 -0.04 0.89 -0.10 1zhyA1 LYS 94 H 0.02 0.34 -0.20 -0.55 8.42 8.03 1zhyA1 LYS 94 HA 0.33 -0.00 0.31 -0.75 4.32 4.20 1zhyA1 LYS 94 HB2 0.20 0.11 0.10 -0.04 1.87 2.24 1zhyA1 LYS 94 HB3 0.09 0.07 0.04 -0.04 1.79 1.96 1zhyA1 LYS 94 HG2 0.03 -0.06 -0.19 -0.04 1.46 1.20 1zhyA1 LYS 94 HG3 0.08 -0.05 0.01 -0.04 1.46 1.46 1zhyA1 LYS 94 HD2 0.05 0.02 -0.05 -0.04 1.69 1.68 1zhyA1 LYS 94 HD3 0.08 0.06 -0.05 -0.04 1.68 1.74 1zhyA1 LYS 94 HE2 0.02 -0.06 -0.08 -0.04 2.99 2.83 1zhyA1 LYS 94 HE3 -0.00 -0.02 -0.05 -0.04 2.99 2.87 1zhyA1 SER 95 H -0.17 0.29 -0.27 -0.55 8.46 7.76 1zhyA1 SER 95 HA -0.29 -0.02 0.39 -0.75 4.49 3.82 1zhyA1 SER 95 HB2 -0.24 0.30 0.22 -0.04 3.95 4.18 1zhyA1 SER 95 HB3 -0.13 -0.10 0.01 -0.04 3.93 3.67 1zhyA1 GLN 96 H -0.62 0.69 -0.03 -0.55 8.47 7.97 1zhyA1 GLN 96 HA -0.95 -0.01 0.33 -0.75 4.36 2.96 1zhyA1 GLN 96 HB2 -1.48 0.05 0.05 -0.04 2.15 0.73 1zhyA1 GLN 96 HB3 -1.55 -0.05 -0.08 -0.04 2.02 0.30 1zhyA1 GLN 96 HG2 -0.73 0.20 -0.03 -0.04 2.40 1.80 1zhyA1 GLN 96 HG3 -0.98 -0.04 -0.20 -0.04 2.39 1.14 1zhyA1 GLN 96 HE21 -1.61 -0.04 -0.22 -0.04 6.97 5.06 1zhyA1 GLN 96 HE22 -1.98 0.04 -0.24 -0.04 7.69 5.47 1zhyA1 TYR 97 H -0.46 0.64 -0.14 -0.55 8.29 7.78 1zhyA1 TYR 97 HA -0.16 0.20 0.94 -0.75 4.56 4.79 1zhyA1 TYR 97 HB2 -0.22 0.08 -0.01 -0.04 3.06 2.87 1zhyA1 TYR 97 HB3 -0.07 -0.09 0.07 -0.04 2.98 2.85 1zhyA1 TYR 97 HD2 -0.57 0.03 -0.08 -0.04 7.15 6.48 1zhyA1 TYR 97 HE2 -0.44 0.00 -0.11 -0.04 6.85 6.26 1zhyA1 CYS 98 H -0.15 0.48 -0.03 -0.55 8.50 8.26 1zhyA1 CYS 98 HA 0.05 0.15 1.04 -0.75 4.58 5.06 1zhyA1 CYS 98 HB2 0.03 0.23 0.09 -0.04 2.97 3.28 1zhyA1 CYS 98 HB3 0.01 -0.07 0.09 -0.04 2.97 2.96 1zhyA1 SER 99 H -0.31 0.33 0.04 -0.55 8.46 7.97 1zhyA1 SER 99 HA -0.10 0.05 0.33 -0.75 4.49 4.01 1zhyA1 SER 99 HB2 -0.49 0.05 0.08 -0.04 3.95 3.55 1zhyA1 SER 99 HB3 -0.15 -0.06 -0.02 -0.04 3.93 3.67 1zhyA1 ARG 100 H -0.11 0.15 -0.28 -0.55 8.46 7.67 1zhyA1 ARG 100 HA -0.04 0.07 0.49 -0.75 4.34 4.11 1zhyA1 ARG 100 HB2 0.01 -0.03 -0.01 -0.04 1.90 1.82 1zhyA1 ARG 100 HB3 0.01 0.23 -0.02 -0.04 1.80 1.98 1zhyA1 ARG 100 HG2 0.06 0.04 -0.05 -0.04 1.67 1.68 1zhyA1 ARG 100 HG3 -0.01 -0.00 -0.06 -0.04 1.67 1.56 1zhyA1 ARG 100 HD2 -0.12 0.01 -0.10 -0.04 3.22 2.97 1zhyA1 ARG 100 HD3 -0.16 -0.14 -0.14 -0.04 3.22 2.75 1zhyA1 ASN 101 H -0.01 0.16 -0.33 -0.55 8.53 7.81 1zhyA1 ASN 101 HA 0.02 0.02 0.13 -0.75 4.76 4.17 1zhyA1 ASN 101 HB2 -0.00 0.15 0.09 -0.04 2.88 3.07 1zhyA1 ASN 101 HB3 -0.01 0.03 -0.08 -0.04 2.79 2.69 1zhyA1 ASN 101 HD21 0.13 0.06 0.12 -0.04 7.03 7.29 1zhyA1 ASN 101 HD22 0.02 0.06 -0.01 -0.04 7.74 7.78 1zhyA1 GLU 102 H -0.02 0.29 -0.39 -0.55 8.60 7.93 1zhyA1 GLU 102 HA -0.02 0.11 0.51 -0.75 4.29 4.15 1zhyA1 GLU 102 HB2 -0.02 0.08 0.07 -0.04 2.09 2.18 1zhyA1 GLU 102 HB3 -0.01 -0.02 -0.02 -0.04 1.99 1.89 1zhyA1 GLU 102 HG2 -0.02 -0.01 -0.06 -0.04 2.34 2.21 1zhyA1 GLU 102 HG3 -0.02 0.06 -0.05 -0.04 2.34 2.29 1zhyA1 SER 103 H -0.02 0.37 0.01 -0.55 8.46 8.27 1zhyA1 SER 103 HA -0.01 0.15 0.73 -0.75 4.49 4.60 1zhyA1 SER 103 HB2 -0.03 -0.04 0.06 -0.04 3.95 3.90 1zhyA1 SER 103 HB3 -0.03 -0.04 0.06 -0.04 3.93 3.87 1zhyA1 LEU 104 H -0.01 0.57 -0.01 -0.55 8.37 8.38 1zhyA1 LEU 104 HA -0.00 0.20 1.00 -0.75 4.35 4.80 1zhyA1 LEU 104 HB2 0.01 0.15 0.01 -0.04 1.64 1.77 1zhyA1 LEU 104 HB3 0.01 0.04 0.03 -0.04 1.64 1.68 1zhyA1 LEU 104 HG -0.01 -0.13 -0.11 -0.04 1.64 1.34 1zhyA1 LEU 104 HD13 -0.00 -0.01 -0.08 -0.04 0.93 0.79 1zhyA1 LEU 104 HD23 -0.01 0.05 -0.15 -0.04 0.89 0.74 1zhyA1 GLY 105 H -0.00 0.23 -0.09 -0.55 8.43 8.03 1zhyA1 GLY 105 HA2 -0.01 0.01 0.35 -0.51 4.01 3.85 1zhyA1 GLY 105 HA3 0.01 0.16 0.84 -0.51 4.01 4.51 1zhyA1 SER 106 H 0.03 0.32 -0.16 -0.55 8.46 8.10 1zhyA1 SER 106 HA 0.05 -0.01 0.34 -0.75 4.49 4.11 1zhyA1 SER 106 HB2 0.08 0.02 0.12 -0.04 3.95 4.13 1zhyA1 SER 106 HB3 0.05 0.14 -0.07 -0.04 3.93 4.00 1zhyA1 GLU 107 H 0.11 0.61 0.12 -0.55 8.60 8.89 1zhyA1 GLU 107 HA 0.06 -0.09 0.42 -0.75 4.29 3.93 1zhyA1 GLU 107 HB2 0.11 -0.09 -0.05 -0.04 2.09 2.02 1zhyA1 GLU 107 HB3 0.09 -0.04 -0.32 -0.04 1.99 1.69 1zhyA1 GLU 107 HG2 0.08 -0.07 -0.15 -0.04 2.34 2.16 1zhyA1 GLU 107 HG3 0.08 0.15 -0.18 -0.04 2.34 2.34 1zhyA1 LYS 108 H 0.06 0.08 0.07 -0.55 8.42 8.07 1zhyA1 LYS 108 HA 0.04 0.21 0.66 -0.75 4.32 4.47 1zhyA1 LYS 108 HB2 0.01 -0.16 -0.26 -0.04 1.87 1.42 1zhyA1 LYS 108 HB3 -0.02 0.20 -0.30 -0.04 1.79 1.63 1zhyA1 LYS 108 HG2 0.03 0.09 -0.26 -0.04 1.46 1.28 1zhyA1 LYS 108 HG3 0.03 0.04 -0.64 -0.04 1.46 0.85 1zhyA1 LYS 108 HD2 0.01 -0.10 -0.28 -0.04 1.69 1.27 1zhyA1 LYS 108 HD3 -0.01 -0.00 -0.55 -0.04 1.68 1.08 1zhyA1 LYS 108 HE2 0.08 0.01 -0.04 -0.04 2.99 2.99 1zhyA1 LYS 108 HE3 0.05 -0.05 -0.20 -0.04 2.99 2.75 1zhyA1 LYS 109 H -0.03 0.75 0.24 -0.55 8.42 8.82 1zhyA1 LYS 109 HA -0.01 0.07 0.54 -0.75 4.32 4.16 1zhyA1 LYS 109 HB2 -0.04 -0.03 0.03 -0.04 1.87 1.79 1zhyA1 LYS 109 HB3 -0.08 -0.01 0.10 -0.04 1.79 1.75 1zhyA1 LYS 109 HG2 -0.07 0.22 -0.23 -0.04 1.46 1.34 1zhyA1 LYS 109 HG3 -0.01 -0.07 -0.04 -0.04 1.46 1.30 1zhyA1 LYS 109 HD2 -0.02 -0.03 -0.06 -0.04 1.69 1.54 1zhyA1 LYS 109 HD3 -0.07 -0.02 -0.09 -0.04 1.68 1.46 1zhyA1 LYS 109 HE2 -0.04 0.02 -0.07 -0.04 2.99 2.86 1zhyA1 LYS 109 HE3 0.02 -0.03 -0.12 -0.04 2.99 2.82 1zhyA1 PRO 110 HA -0.09 0.11 0.54 -0.51 4.44 4.48 1zhyA1 PRO 110 HB2 -0.25 -0.03 -0.00 -0.04 2.28 1.95 1zhyA1 PRO 110 HB3 -0.02 -0.00 0.01 -0.04 2.02 1.96 1zhyA1 PRO 110 HG2 -0.18 -0.01 -0.09 -0.04 2.03 1.70 1zhyA1 PRO 110 HG3 -0.26 -0.00 0.00 -0.04 2.03 1.73 1zhyA1 PRO 110 HD2 -0.06 0.01 0.19 -0.04 3.68 3.78 1zhyA1 PRO 110 HD3 -0.01 0.31 0.25 -0.04 3.65 4.16 1zhyA1 LEU 111 H -0.28 0.43 0.05 -0.55 8.37 8.02 1zhyA1 LEU 111 HA -0.38 0.11 0.43 -0.75 4.35 3.76 1zhyA1 LEU 111 HB2 -0.76 -0.22 -0.14 -0.04 1.64 0.48 1zhyA1 LEU 111 HB3 -1.49 0.02 -0.14 -0.04 1.64 -0.00 1zhyA1 LEU 111 HG -0.41 0.22 -0.20 -0.04 1.64 1.20 1zhyA1 LEU 111 HD13 -0.86 -0.04 -0.23 -0.04 0.93 -0.24 1zhyA1 LEU 111 HD23 -0.53 0.01 -0.09 -0.04 0.89 0.23 1zhyA1 ASN 112 H -0.18 0.18 0.12 -0.55 8.53 8.10 1zhyA1 ASN 112 HA -0.07 0.08 0.56 -0.75 4.76 4.57 1zhyA1 ASN 112 HB2 -0.01 0.03 0.10 -0.04 2.88 2.97 1zhyA1 ASN 112 HB3 0.11 -0.03 0.18 -0.04 2.79 3.02 1zhyA1 ASN 112 HD21 -0.20 0.05 0.03 -0.04 7.03 6.87 1zhyA1 ASN 112 HD22 0.12 -0.03 0.02 -0.04 7.74 7.81 1zhyA1 PRO 113 HA 0.37 -0.01 0.32 -0.51 4.44 4.62 1zhyA1 PRO 113 HB2 -0.02 0.08 -0.05 -0.04 2.28 2.25 1zhyA1 PRO 113 HB3 -0.05 -0.04 0.07 -0.04 2.02 1.96 1zhyA1 PRO 113 HG2 -0.08 0.06 -0.03 -0.04 2.03 1.93 1zhyA1 PRO 113 HG3 -0.09 -0.24 0.08 -0.04 2.03 1.74 1zhyA1 PRO 113 HD2 -0.03 0.13 0.16 -0.04 3.68 3.90 1zhyA1 PRO 113 HD3 -0.11 0.27 0.38 -0.04 3.65 4.14 1zhyA1 PHE 114 H -0.05 0.05 0.15 -0.55 8.34 7.94 1zhyA1 PHE 114 HA -0.07 0.19 0.77 -0.75 4.62 4.75 1zhyA1 PHE 114 HB2 -0.26 0.04 0.07 -0.04 3.15 2.96 1zhyA1 PHE 114 HB3 -0.15 0.05 0.05 -0.04 3.06 2.97 1zhyA1 PHE 114 HD2 -0.31 0.15 -0.17 -0.04 7.28 6.91 1zhyA1 PHE 114 HE2 -0.29 0.01 -0.12 -0.04 7.38 6.95 1zhyA1 PHE 114 HZ -0.07 0.11 -0.01 -0.04 7.32 7.31 1zhyA1 LEU 115 H -0.16 0.13 0.09 -0.55 8.37 7.89 1zhyA1 LEU 115 HA -0.15 0.06 0.28 -0.75 4.35 3.79 1zhyA1 LEU 115 HB2 -0.13 -0.06 0.05 -0.04 1.64 1.45 1zhyA1 LEU 115 HB3 -0.43 0.01 0.11 -0.04 1.64 1.29 1zhyA1 LEU 115 HG -0.96 0.05 -0.30 -0.04 1.64 0.38 1zhyA1 LEU 115 HD13 -0.04 -0.00 -0.21 -0.04 0.93 0.64 1zhyA1 LEU 115 HD23 -0.17 -0.00 -0.03 -0.04 0.89 0.64 1zhyA1 GLY 116 H -0.14 0.57 0.30 -0.55 8.43 8.61 1zhyA1 GLY 116 HA2 0.29 -0.03 0.36 -0.51 4.01 4.11 1zhyA1 GLY 116 HA3 0.01 0.15 0.70 -0.51 4.01 4.36 1zhyA1 GLU 117 H -0.47 0.46 -0.11 -0.55 8.60 7.94 1zhyA1 GLU 117 HA -0.38 0.19 0.50 -0.75 4.29 3.84 1zhyA1 GLU 117 HB2 -1.93 0.02 0.16 -0.04 2.09 0.30 1zhyA1 GLU 117 HB3 -0.44 -0.10 0.15 -0.04 1.99 1.55 1zhyA1 GLU 117 HG2 -0.09 -0.00 -0.13 -0.04 2.34 2.08 1zhyA1 GLU 117 HG3 -0.33 0.14 0.08 -0.04 2.34 2.18 1zhyA1 LEU 118 H 0.07 0.65 0.38 -0.55 8.37 8.92 1zhyA1 LEU 118 HA 0.14 0.32 1.15 -0.75 4.35 5.20 1zhyA1 LEU 118 HB2 0.17 -0.11 -0.07 -0.04 1.64 1.58 1zhyA1 LEU 118 HB3 0.28 -0.01 0.07 -0.04 1.64 1.93 1zhyA1 LEU 118 HG 0.02 0.23 -0.07 -0.04 1.64 1.77 1zhyA1 LEU 118 HD13 -0.13 -0.03 -0.04 -0.04 0.93 0.69 1zhyA1 LEU 118 HD23 -0.32 0.00 -0.06 -0.04 0.89 0.47 1zhyA1 PHE 119 H 0.31 0.69 0.31 -0.55 8.34 9.09 1zhyA1 PHE 119 HA 0.09 -0.01 0.75 -0.75 4.62 4.69 1zhyA1 PHE 119 HB2 0.05 -0.08 -0.19 -0.04 3.15 2.89 1zhyA1 PHE 119 HB3 0.04 0.10 0.02 -0.04 3.06 3.18 1zhyA1 PHE 119 HD2 0.00 -0.04 0.00 -0.04 7.28 7.20 1zhyA1 PHE 119 HE2 -0.08 0.00 -0.05 -0.04 7.38 7.21 1zhyA1 PHE 119 HZ -0.11 0.04 -0.09 -0.04 7.32 7.12 1zhyA1 VAL 120 H -0.30 0.18 0.21 -0.55 8.24 7.79 1zhyA1 VAL 120 HA -0.31 0.37 1.07 -0.75 4.13 4.50 1zhyA1 VAL 120 HB -0.23 0.09 0.17 -0.04 2.12 2.11 1zhyA1 VAL 120 HG13 0.12 -0.04 -0.10 -0.04 0.97 0.90 1zhyA1 VAL 120 HG23 0.01 -0.02 -0.02 -0.04 0.95 0.88 1zhyA1 GLY 121 H -0.37 0.56 0.44 -0.55 8.43 8.51 1zhyA1 GLY 121 HA2 -0.27 0.03 0.58 -0.51 4.01 3.84 1zhyA1 GLY 121 HA3 -0.46 0.07 0.41 -0.51 4.01 3.52 1zhyA1 LYS 122 H -0.35 0.56 0.38 -0.55 8.42 8.47 1zhyA1 LYS 122 HA -0.21 0.22 0.85 -0.75 4.32 4.43 1zhyA1 LYS 122 HB2 -0.03 0.07 -0.05 -0.04 1.87 1.82 1zhyA1 LYS 122 HB3 -0.11 0.04 -0.14 -0.04 1.79 1.53 1zhyA1 LYS 122 HG2 -0.11 -0.01 -0.00 -0.04 1.46 1.30 1zhyA1 LYS 122 HG3 -0.06 -0.07 -0.18 -0.04 1.46 1.12 1zhyA1 LYS 122 HD2 0.01 0.04 -0.11 -0.04 1.69 1.59 1zhyA1 LYS 122 HD3 -0.01 -0.02 -0.09 -0.04 1.68 1.52 1zhyA1 LYS 122 HE2 -0.02 -0.06 -0.06 -0.04 2.99 2.81 1zhyA1 LYS 122 HE3 -0.01 -0.01 -0.06 -0.04 2.99 2.87 1zhyA1 TRP 123 H 0.27 0.82 0.36 -0.55 7.97 8.87 1zhyA1 TRP 123 HA 0.00 0.07 0.86 -0.75 4.62 4.80 1zhyA1 TRP 123 HB2 -0.02 0.05 0.25 -0.04 3.23 3.47 1zhyA1 TRP 123 HB3 0.04 -0.04 0.06 -0.04 3.23 3.25 1zhyA1 TRP 123 HD1 0.01 -0.05 -0.16 -0.04 7.22 6.99 1zhyA1 TRP 123 HE1 -0.02 0.50 -0.05 -0.04 10.20 10.58 1zhyA1 TRP 123 HE3 -0.15 0.08 -0.12 -0.04 7.59 7.36 1zhyA1 TRP 123 HZ2 -0.03 0.05 -0.16 -0.04 7.44 7.27 1zhyA1 TRP 123 HZ3 -0.19 -0.00 -0.24 -0.04 7.13 6.66 1zhyA1 TRP 123 HH2 -0.07 -0.00 -0.07 -0.04 7.19 7.00 1zhyA1 GLU 124 H 0.11 0.18 0.10 -0.55 8.60 8.45 1zhyA1 GLU 124 HA 0.11 0.12 0.49 -0.75 4.29 4.25 1zhyA1 GLU 124 HB2 0.07 -0.05 0.07 -0.04 2.09 2.13 1zhyA1 GLU 124 HB3 0.07 0.05 0.00 -0.04 1.99 2.07 1zhyA1 GLU 124 HG2 0.04 0.03 -0.05 -0.04 2.34 2.32 1zhyA1 GLU 124 HG3 0.02 0.00 -0.03 -0.04 2.34 2.28 1zhyA1 ASN 125 H 0.22 0.03 -0.16 -0.55 8.53 8.08 1zhyA1 ASN 125 HA 0.23 -0.02 0.24 -0.75 4.76 4.45 1zhyA1 ASN 125 HB2 0.27 0.31 -0.26 -0.04 2.88 3.15 1zhyA1 ASN 125 HB3 0.35 -0.03 0.13 -0.04 2.79 3.20 1zhyA1 ASN 125 HD21 0.20 -0.09 -0.08 -0.04 7.03 7.02 1zhyA1 ASN 125 HD22 0.27 0.69 -0.09 -0.04 7.74 8.57 1zhyA1 LYS 126 H 0.08 0.02 -0.24 -0.55 8.42 7.72 1zhyA1 LYS 126 HA 0.03 0.17 0.25 -0.75 4.32 4.02 1zhyA1 LYS 126 HB2 0.02 -0.04 0.02 -0.04 1.87 1.82 1zhyA1 LYS 126 HB3 0.00 0.06 -0.05 -0.04 1.79 1.76 1zhyA1 LYS 126 HG2 0.03 0.07 -0.04 -0.04 1.46 1.48 1zhyA1 LYS 126 HG3 0.05 -0.13 -0.09 -0.04 1.46 1.25 1zhyA1 LYS 126 HD2 0.02 0.01 -0.02 -0.04 1.69 1.66 1zhyA1 LYS 126 HD3 0.02 -0.01 -0.02 -0.04 1.68 1.64 1zhyA1 LYS 126 HE2 0.00 0.01 -0.05 -0.04 2.99 2.92 1zhyA1 LYS 126 HE3 0.01 0.02 -0.02 -0.04 2.99 2.96 1zhyA1 GLU 127 H -0.05 0.02 -0.24 -0.55 8.60 7.79 1zhyA1 GLU 127 HA -0.18 0.13 0.45 -0.75 4.29 3.94 1zhyA1 GLU 127 HB2 -0.29 -0.03 -0.03 -0.04 2.09 1.71 1zhyA1 GLU 127 HB3 -0.43 0.04 0.09 -0.04 1.99 1.66 1zhyA1 GLU 127 HG2 -0.08 0.04 0.00 -0.04 2.34 2.26 1zhyA1 GLU 127 HG3 -0.10 0.04 -0.01 -0.04 2.34 2.23 1zhyA1 HIS 128 H -0.10 0.38 -0.75 -0.55 8.41 7.40 1zhyA1 HIS 128 HA -0.25 0.20 0.83 -0.75 4.63 4.65 1zhyA1 HIS 128 HB2 -0.81 0.01 0.11 -0.04 3.26 2.53 1zhyA1 HIS 128 HB3 -1.26 -0.05 0.05 -0.04 3.20 1.89 1zhyA1 HIS 128 HD2 -0.14 -0.09 -0.16 -0.04 6.97 6.53 1zhyA1 HIS 128 HE1 -0.12 0.02 -0.05 -0.04 7.75 7.55 1zhyA1 PRO 129 HA 0.05 0.10 0.42 -0.51 4.44 4.50 1zhyA1 PRO 129 HB2 0.03 0.03 -0.01 -0.04 2.28 2.29 1zhyA1 PRO 129 HB3 0.01 0.05 0.10 -0.04 2.02 2.13 1zhyA1 PRO 129 HG2 -0.01 -0.01 0.03 -0.04 2.03 2.00 1zhyA1 PRO 129 HG3 -0.02 0.05 0.03 -0.04 2.03 2.05 1zhyA1 PRO 129 HD2 -0.09 0.14 0.10 -0.04 3.68 3.79 1zhyA1 PRO 129 HD3 -0.07 0.23 -0.04 -0.04 3.65 3.72 1zhyA1 GLU 130 H 0.02 0.07 -0.38 -0.55 8.60 7.76 1zhyA1 GLU 130 HA 0.14 0.11 0.43 -0.75 4.29 4.22 1zhyA1 GLU 130 HB2 0.13 0.04 0.02 -0.04 2.09 2.24 1zhyA1 GLU 130 HB3 0.04 -0.03 0.02 -0.04 1.99 1.98 1zhyA1 GLU 130 HG2 0.27 0.07 -0.27 -0.04 2.34 2.37 1zhyA1 GLU 130 HG3 -0.10 0.02 -0.09 -0.04 2.34 2.13 1zhyA1 PHE 131 H 0.26 0.38 -0.30 -0.55 8.34 8.13 1zhyA1 PHE 131 HA 0.26 0.04 0.45 -0.75 4.62 4.62 1zhyA1 PHE 131 HB2 0.16 0.23 0.18 -0.04 3.15 3.69 1zhyA1 PHE 131 HB3 0.14 0.05 -0.06 -0.04 3.06 3.14 1zhyA1 PHE 131 HD2 0.15 -0.04 -0.21 -0.04 7.28 7.14 1zhyA1 PHE 131 HE2 -0.18 -0.05 -0.13 -0.04 7.38 6.98 1zhyA1 PHE 131 HZ -0.26 -0.01 -0.05 -0.04 7.32 6.96 1zhyA1 GLY 132 H 0.25 0.17 -0.07 -0.55 8.43 8.23 1zhyA1 GLY 132 HA2 0.14 0.01 0.31 -0.51 4.01 3.97 1zhyA1 GLY 132 HA3 0.15 0.05 0.57 -0.51 4.01 4.27 1zhyA1 GLU 133 H 0.12 0.03 0.15 -0.55 8.60 8.35 1zhyA1 GLU 133 HA 0.15 0.25 0.57 -0.75 4.29 4.50 1zhyA1 GLU 133 HB2 0.09 -0.02 0.13 -0.04 2.09 2.26 1zhyA1 GLU 133 HB3 0.09 -0.05 0.04 -0.04 1.99 2.02 1zhyA1 GLU 133 HG2 0.05 -0.01 -0.16 -0.04 2.34 2.18 1zhyA1 GLU 133 HG3 0.09 0.02 -0.05 -0.04 2.34 2.36 1zhyA1 THR 134 H 0.18 0.57 0.33 -0.55 8.28 8.82 1zhyA1 THR 134 HA 0.04 0.27 0.99 -0.75 4.39 4.94 1zhyA1 THR 134 HB 0.24 -0.11 0.17 -0.04 4.32 4.59 1zhyA1 THR 134 HG23 -0.06 -0.00 -0.24 -0.04 1.22 0.87 1zhyA1 VAL 135 H -0.36 0.65 0.37 -0.55 8.24 8.34 1zhyA1 VAL 135 HA -0.23 0.16 1.03 -0.75 4.13 4.33 1zhyA1 VAL 135 HB -1.63 -0.04 0.15 -0.04 2.12 0.56 1zhyA1 VAL 135 HG13 -0.59 0.01 -0.10 -0.04 0.97 0.26 1zhyA1 VAL 135 HG23 -0.11 0.01 -0.05 -0.04 0.95 0.76 1zhyA1 LEU 136 H -0.33 0.62 0.38 -0.55 8.37 8.49 1zhyA1 LEU 136 HA -0.17 0.30 1.14 -0.75 4.35 4.87 1zhyA1 LEU 136 HB2 0.08 0.02 -0.09 -0.04 1.64 1.61 1zhyA1 LEU 136 HB3 -0.31 -0.09 0.01 -0.04 1.64 1.21 1zhyA1 LEU 136 HG -0.09 0.03 -0.50 -0.04 1.64 1.04 1zhyA1 LEU 136 HD13 0.10 0.03 -0.21 -0.04 0.93 0.82 1zhyA1 LEU 136 HD23 0.01 -0.02 -0.22 -0.04 0.89 0.61 1zhyA1 LEU 137 H -0.14 0.74 0.38 -0.55 8.37 8.80 1zhyA1 LEU 137 HA -0.20 0.13 0.96 -0.75 4.35 4.49 1zhyA1 LEU 137 HB2 -0.26 -0.04 0.17 -0.04 1.64 1.47 1zhyA1 LEU 137 HB3 -0.29 -0.02 0.01 -0.04 1.64 1.30 1zhyA1 LEU 137 HG -0.80 -0.02 -0.25 -0.04 1.64 0.52 1zhyA1 LEU 137 HD13 -1.25 -0.01 -0.06 -0.04 0.93 -0.43 1zhyA1 LEU 137 HD23 -1.75 0.04 -0.02 -0.04 0.89 -0.88 1zhyA1 SER 138 H 0.25 0.43 0.31 -0.55 8.46 8.90 1zhyA1 SER 138 HA 0.25 0.27 1.09 -0.75 4.49 5.35 1zhyA1 SER 138 HB2 0.22 -0.07 -0.07 -0.04 3.95 3.99 1zhyA1 SER 138 HB3 0.30 -0.05 0.18 -0.04 3.93 4.33 1zhyA1 GLU 139 H 0.02 0.72 0.38 -0.55 8.60 9.16 1zhyA1 GLU 139 HA 0.09 0.35 1.01 -0.75 4.29 4.98 1zhyA1 GLU 139 HB2 0.30 0.00 -0.11 -0.04 2.09 2.24 1zhyA1 GLU 139 HB3 0.24 -0.07 -0.02 -0.04 1.99 2.10 1zhyA1 GLU 139 HG2 -0.03 -0.03 -0.55 -0.04 2.34 1.70 1zhyA1 GLU 139 HG3 0.00 0.19 -0.09 -0.04 2.34 2.41 1zhyA1 GLN 140 H -0.08 0.69 0.20 -0.55 8.47 8.74 1zhyA1 GLN 140 HA -0.14 0.18 0.85 -0.75 4.36 4.49 1zhyA1 GLN 140 HB2 -0.15 -0.05 0.13 -0.04 2.15 2.05 1zhyA1 GLN 140 HB3 -0.17 -0.16 0.31 -0.04 2.02 1.95 1zhyA1 GLN 140 HG2 -0.06 0.02 -0.39 -0.04 2.40 1.94 1zhyA1 GLN 140 HG3 -0.09 0.03 -0.18 -0.04 2.39 2.12 1zhyA1 GLN 140 HE21 -0.06 -0.06 -0.14 -0.04 6.97 6.67 1zhyA1 GLN 140 HE22 -0.03 0.16 0.07 -0.04 7.69 7.86 1zhyA1 VAL 141 H -0.39 0.37 0.30 -0.55 8.24 7.97 1zhyA1 VAL 141 HA -0.26 0.08 0.63 -0.75 4.13 3.83 1zhyA1 VAL 141 HB -2.08 -0.00 0.04 -0.04 2.12 0.03 1zhyA1 VAL 141 HG13 -0.48 -0.00 -0.11 -0.04 0.97 0.33 1zhyA1 VAL 141 HG23 -1.51 0.02 -0.17 -0.04 0.95 -0.75 1zhyA1 SER 142 H -0.20 0.33 -0.02 -0.55 8.46 8.03 1zhyA1 SER 142 HA 0.01 0.05 0.48 -0.75 4.49 4.27 1zhyA1 SER 142 HB2 0.06 0.05 -0.19 -0.04 3.95 3.83 1zhyA1 SER 142 HB3 -0.03 -0.01 -0.08 -0.04 3.93 3.77 1zhyA1 HIS 143 H 0.12 0.04 0.08 -0.55 8.41 8.10 1zhyA1 HIS 143 HA -0.01 0.18 0.71 -0.75 4.63 4.76 1zhyA1 HIS 143 HB2 -0.03 -0.11 -0.03 -0.04 3.26 3.05 1zhyA1 HIS 143 HB3 0.01 -0.00 0.06 -0.04 3.20 3.22 1zhyA1 HIS 143 HD2 0.05 0.00 -0.14 -0.04 6.97 6.84 1zhyA1 HIS 143 HE1 0.11 0.04 -0.03 -0.04 7.75 7.82 1zhyA1 HIS 144 H 0.16 -0.00 -0.01 -0.55 8.41 8.01 1zhyA1 HIS 144 HA -0.09 0.17 0.83 -0.75 4.63 4.78 1zhyA1 HIS 144 HB2 0.06 -0.03 -0.06 -0.04 3.26 3.20 1zhyA1 HIS 144 HB3 0.04 -0.01 0.20 -0.04 3.20 3.39 1zhyA1 HIS 144 HD2 0.01 -0.00 -0.01 -0.04 6.97 6.93 1zhyA1 HIS 144 HE1 -0.02 -0.00 -0.01 -0.04 7.75 7.67 1zhyA1 PRO 145 HA -0.20 0.15 0.25 -0.51 4.44 4.13 1zhyA1 PRO 145 HB2 -0.12 0.14 0.04 -0.04 2.28 2.30 1zhyA1 PRO 145 HB3 -0.20 0.00 0.07 -0.04 2.02 1.86 1zhyA1 PRO 145 HG2 -0.04 0.02 -0.18 -0.04 2.03 1.79 1zhyA1 PRO 145 HG3 -0.10 0.04 0.00 -0.04 2.03 1.93 1zhyA1 PRO 145 HD2 0.00 0.05 0.27 -0.04 3.68 3.96 1zhyA1 PRO 145 HD3 -0.11 0.10 0.14 -0.04 3.65 3.73 1zhyA1 PRO 146 HA -0.06 0.24 0.42 -0.51 4.44 4.53 1zhyA1 PRO 146 HB2 -0.06 -0.05 0.11 -0.04 2.28 2.24 1zhyA1 PRO 146 HB3 -0.07 0.00 0.09 -0.04 2.02 2.00 1zhyA1 PRO 146 HG2 -0.09 -0.04 0.11 -0.04 2.03 1.97 1zhyA1 PRO 146 HG3 -0.19 0.18 0.12 -0.04 2.03 2.10 1zhyA1 PRO 146 HD2 -0.09 0.08 0.22 -0.04 3.68 3.85 1zhyA1 PRO 146 HD3 -0.16 0.10 0.21 -0.04 3.65 3.76 1zhyA1 VAL 147 H -0.07 0.53 0.29 -0.55 8.24 8.44 1zhyA1 VAL 147 HA 0.02 0.37 0.91 -0.75 4.13 4.67 1zhyA1 VAL 147 HB -0.20 -0.16 -0.02 -0.04 2.12 1.70 1zhyA1 VAL 147 HG13 0.00 -0.01 -0.20 -0.04 0.97 0.72 1zhyA1 VAL 147 HG23 0.07 0.06 -0.36 -0.04 0.95 0.68 1zhyA1 THR 148 H 0.03 0.62 0.32 -0.55 8.28 8.70 1zhyA1 THR 148 HA -0.12 0.13 1.08 -0.75 4.39 4.73 1zhyA1 THR 148 HB 0.12 0.01 0.08 -0.04 4.32 4.49 1zhyA1 THR 148 HG23 0.10 0.01 -0.14 -0.04 1.22 1.15 1zhyA1 ALA 149 H -0.30 0.67 0.45 -0.55 8.40 8.68 1zhyA1 ALA 149 HA -0.37 0.24 1.16 -0.75 4.34 4.62 1zhyA1 ALA 149 HB3 -0.98 -0.02 0.04 -0.04 1.41 0.41 1zhyA1 PHE 150 H -0.78 0.70 0.45 -0.55 8.34 8.16 1zhyA1 PHE 150 HA 0.08 0.20 0.90 -0.75 4.62 5.04 1zhyA1 PHE 150 HB2 0.03 0.03 0.02 -0.04 3.15 3.19 1zhyA1 PHE 150 HB3 0.02 -0.01 -0.09 -0.04 3.06 2.95 1zhyA1 PHE 150 HD2 -0.08 -0.02 -0.45 -0.04 7.28 6.69 1zhyA1 PHE 150 HE2 -0.38 0.02 -0.29 -0.04 7.38 6.69 1zhyA1 PHE 150 HZ -0.15 0.07 -0.25 -0.04 7.32 6.96 1zhyA1 SER 151 H 0.18 0.67 0.42 -0.55 8.46 9.19 1zhyA1 SER 151 HA 0.04 0.29 0.89 -0.75 4.49 4.96 1zhyA1 SER 151 HB2 -0.59 -0.07 0.01 -0.04 3.95 3.26 1zhyA1 SER 151 HB3 -0.85 -0.08 0.09 -0.04 3.93 3.05 1zhyA1 ILE 152 H 0.10 0.57 0.32 -0.55 8.25 8.69 1zhyA1 ILE 152 HA -0.14 0.43 1.07 -0.75 4.18 4.79 1zhyA1 ILE 152 HB -0.02 -0.03 0.08 -0.04 1.89 1.88 1zhyA1 ILE 152 HG12 0.11 -0.00 -0.05 -0.04 1.49 1.50 1zhyA1 ILE 152 HG13 0.11 -0.10 -0.39 -0.04 1.21 0.80 1zhyA1 ILE 152 HG23 -0.34 0.00 -0.21 -0.04 0.93 0.35 1zhyA1 ILE 152 HD13 0.10 0.04 -0.19 -0.04 0.88 0.78 1zhyA1 PHE 153 H -0.59 0.47 0.34 -0.55 8.34 8.01 1zhyA1 PHE 153 HA 0.12 0.33 1.16 -0.75 4.62 5.48 1zhyA1 PHE 153 HB2 0.05 0.01 -0.01 -0.04 3.15 3.16 1zhyA1 PHE 153 HB3 0.01 -0.01 -0.06 -0.04 3.06 2.97 1zhyA1 PHE 153 HD2 -0.11 -0.03 -0.22 -0.04 7.28 6.88 1zhyA1 PHE 153 HE2 -0.26 0.01 -0.08 -0.04 7.38 7.01 1zhyA1 PHE 153 HZ -0.80 0.03 -0.07 -0.04 7.32 6.44 1zhyA1 ASN 154 H 0.19 0.89 0.32 -0.55 8.53 9.38 1zhyA1 ASN 154 HA 0.12 0.28 1.01 -0.75 4.76 5.41 1zhyA1 ASN 154 HB2 0.14 0.01 -0.03 -0.04 2.88 2.97 1zhyA1 ASN 154 HB3 0.01 -0.01 0.23 -0.04 2.79 2.98 1zhyA1 ASN 154 HD21 0.13 0.55 -0.24 -0.04 7.03 7.43 1zhyA1 ASN 154 HD22 0.11 -0.09 -0.39 -0.04 7.74 7.33 1zhyA1 ASP 155 H 0.20 0.25 0.11 -0.55 8.40 8.41 1zhyA1 ASP 155 HA 0.11 0.06 0.43 -0.75 4.63 4.48 1zhyA1 ASP 155 HB2 0.15 0.01 0.13 -0.04 2.71 2.96 1zhyA1 ASP 155 HB3 0.10 0.05 0.01 -0.04 2.70 2.82 1zhyA1 LYS 156 H 0.10 0.12 -0.06 -0.55 8.42 8.01 1zhyA1 LYS 156 HA 0.06 0.04 0.38 -0.75 4.32 4.05 1zhyA1 LYS 156 HB2 0.10 -0.11 0.11 -0.04 1.87 1.93 1zhyA1 LYS 156 HB3 0.10 0.19 0.05 -0.04 1.79 2.10 1zhyA1 LYS 156 HG2 0.10 0.06 -0.21 -0.04 1.46 1.38 1zhyA1 LYS 156 HG3 0.09 -0.08 0.02 -0.04 1.46 1.45 1zhyA1 LYS 156 HD2 0.12 -0.14 -0.11 -0.04 1.69 1.52 1zhyA1 LYS 156 HD3 0.17 0.18 -0.63 -0.04 1.68 1.35 1zhyA1 LYS 156 HE2 0.13 0.20 0.02 -0.04 2.99 3.29 1zhyA1 LYS 156 HE3 0.15 0.05 -0.04 -0.04 2.99 3.11 1zhyA1 ASN 157 H 0.01 0.09 -0.24 -0.55 8.53 7.84 1zhyA1 ASN 157 HA -0.05 0.23 0.86 -0.75 4.76 5.05 1zhyA1 ASN 157 HB2 -0.18 -0.02 0.06 -0.04 2.88 2.69 1zhyA1 ASN 157 HB3 -0.34 -0.01 0.12 -0.04 2.79 2.52 1zhyA1 ASN 157 HD21 0.26 0.35 0.15 -0.04 7.03 7.75 1zhyA1 ASN 157 HD22 0.04 0.04 0.09 -0.04 7.74 7.87 1zhyA1 LYS 158 H -0.01 0.23 -0.31 -0.55 8.42 7.78 1zhyA1 LYS 158 HA -0.01 -0.01 0.33 -0.75 4.32 3.88 1zhyA1 LYS 158 HB2 -0.06 0.16 -0.03 -0.04 1.87 1.89 1zhyA1 LYS 158 HB3 -0.04 -0.09 0.25 -0.04 1.79 1.87 1zhyA1 LYS 158 HG2 -0.01 -0.04 0.03 -0.04 1.46 1.40 1zhyA1 LYS 158 HG3 -0.01 0.15 -0.13 -0.04 1.46 1.43 1zhyA1 LYS 158 HD2 -0.02 -0.09 0.01 -0.04 1.69 1.55 1zhyA1 LYS 158 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.61 1zhyA1 LYS 158 HE2 -0.01 0.12 -0.09 -0.04 2.99 2.96 1zhyA1 LYS 158 HE3 -0.04 0.06 -0.10 -0.04 2.99 2.87 1zhyA1 VAL 159 H -0.07 0.38 0.02 -0.55 8.24 8.02 1zhyA1 VAL 159 HA -0.21 0.38 1.16 -0.75 4.13 4.70 1zhyA1 VAL 159 HB -0.33 -0.12 0.13 -0.04 2.12 1.77 1zhyA1 VAL 159 HG13 -0.97 0.03 -0.13 -0.04 0.97 -0.15 1zhyA1 VAL 159 HG23 -0.41 0.03 -0.07 -0.04 0.95 0.46 1zhyA1 LYS 160 H -0.08 0.64 0.38 -0.55 8.42 8.80 1zhyA1 LYS 160 HA 0.18 0.22 1.16 -0.75 4.32 5.12 1zhyA1 LYS 160 HB2 0.12 -0.00 0.04 -0.04 1.87 1.99 1zhyA1 LYS 160 HB3 0.11 -0.05 -0.11 -0.04 1.79 1.71 1zhyA1 LYS 160 HG2 0.01 0.10 0.04 -0.04 1.46 1.57 1zhyA1 LYS 160 HG3 0.04 -0.04 -0.02 -0.04 1.46 1.40 1zhyA1 LYS 160 HD2 0.05 -0.05 -0.07 -0.04 1.69 1.58 1zhyA1 LYS 160 HD3 0.02 -0.01 -0.10 -0.04 1.68 1.56 1zhyA1 LYS 160 HE2 0.00 0.10 -0.04 -0.04 2.99 3.02 1zhyA1 LYS 160 HE3 0.02 -0.04 -0.04 -0.04 2.99 2.89 1zhyA1 LEU 161 H 0.18 0.64 0.45 -0.55 8.37 9.10 1zhyA1 LEU 161 HA 0.05 0.40 1.24 -0.75 4.35 5.29 1zhyA1 LEU 161 HB2 0.17 0.02 -0.02 -0.04 1.64 1.77 1zhyA1 LEU 161 HB3 0.22 0.01 0.19 -0.04 1.64 2.01 1zhyA1 LEU 161 HG 0.00 0.05 -0.06 -0.04 1.64 1.59 1zhyA1 LEU 161 HD13 0.29 0.00 -0.11 -0.04 0.93 1.07 1zhyA1 LEU 161 HD23 0.06 -0.02 -0.40 -0.04 0.89 0.49 1zhyA1 GLN 162 H 0.01 0.62 0.50 -0.55 8.47 9.06 1zhyA1 GLN 162 HA -0.02 0.28 0.97 -0.75 4.36 4.83 1zhyA1 GLN 162 HB2 0.14 -0.02 0.31 -0.04 2.15 2.54 1zhyA1 GLN 162 HB3 0.10 -0.02 -0.02 -0.04 2.02 2.05 1zhyA1 GLN 162 HG2 0.07 0.02 0.09 -0.04 2.40 2.54 1zhyA1 GLN 162 HG3 0.04 0.03 -0.08 -0.04 2.39 2.34 1zhyA1 GLN 162 HE21 0.10 0.04 0.06 -0.04 6.97 7.13 1zhyA1 GLN 162 HE22 0.11 0.03 0.00 -0.04 7.69 7.79 1zhyA1 GLY 163 H -0.55 0.60 0.51 -0.55 8.43 8.45 1zhyA1 GLY 163 HA2 -0.29 0.09 0.63 -0.51 4.01 3.93 1zhyA1 GLY 163 HA3 -0.56 0.08 0.69 -0.51 4.01 3.72 1zhyA1 TYR 164 H -0.48 0.51 0.46 -0.55 8.29 8.24 1zhyA1 TYR 164 HA -0.39 0.20 0.87 -0.75 4.56 4.49 1zhyA1 TYR 164 HB2 -0.13 0.04 0.12 -0.04 3.06 3.04 1zhyA1 TYR 164 HB3 -0.17 -0.03 -0.04 -0.04 2.98 2.70 1zhyA1 TYR 164 HD2 -0.05 0.09 -0.10 -0.04 7.15 7.05 1zhyA1 TYR 164 HE2 -0.05 0.05 -0.05 -0.04 6.85 6.76 1zhyA1 ASN 165 H 0.22 0.56 0.40 -0.55 8.53 9.16 1zhyA1 ASN 165 HA 0.05 0.37 1.02 -0.75 4.76 5.45 1zhyA1 ASN 165 HB2 0.35 0.02 -0.19 -0.04 2.88 3.02 1zhyA1 ASN 165 HB3 0.25 -0.09 0.03 -0.04 2.79 2.94 1zhyA1 ASN 165 HD21 0.15 -0.02 -0.03 -0.04 7.03 7.09 1zhyA1 ASN 165 HD22 0.22 0.05 0.01 -0.04 7.74 7.97 1zhyA1 GLN 166 H 0.16 0.58 0.38 -0.55 8.47 9.05 1zhyA1 GLN 166 HA 0.08 0.19 0.69 -0.75 4.36 4.56 1zhyA1 GLN 166 HB2 0.17 -0.01 -0.05 -0.04 2.15 2.21 1zhyA1 GLN 166 HB3 0.20 -0.08 -0.05 -0.04 2.02 2.05 1zhyA1 GLN 166 HG2 -0.08 0.05 -0.15 -0.04 2.40 2.18 1zhyA1 GLN 166 HG3 -0.02 0.20 0.09 -0.04 2.39 2.62 1zhyA1 GLN 166 HE21 -0.15 -0.04 -0.07 -0.04 6.97 6.67 1zhyA1 GLN 166 HE22 -0.19 0.05 -0.06 -0.04 7.69 7.46 1zhyA1 ILE 167 H 0.03 0.26 0.22 -0.55 8.25 8.21 1zhyA1 ILE 167 HA 0.26 0.35 1.11 -0.75 4.18 5.13 1zhyA1 ILE 167 HB 0.08 0.01 -0.00 -0.04 1.89 1.93 1zhyA1 ILE 167 HG12 0.01 -0.04 0.00 -0.04 1.49 1.42 1zhyA1 ILE 167 HG13 0.02 -0.01 -0.31 -0.04 1.21 0.87 1zhyA1 ILE 167 HG23 0.07 -0.02 -0.22 -0.04 0.93 0.73 1zhyA1 ILE 167 HD13 -0.01 -0.00 -0.12 -0.04 0.88 0.70 1zhyA1 LYS 168 H 0.20 0.56 0.30 -0.55 8.42 8.92 1zhyA1 LYS 168 HA 0.01 0.13 0.81 -0.75 4.32 4.52 1zhyA1 LYS 168 HB2 0.30 -0.03 0.15 -0.04 1.87 2.25 1zhyA1 LYS 168 HB3 0.08 0.02 0.06 -0.04 1.79 1.90 1zhyA1 LYS 168 HG2 -0.18 0.08 0.02 -0.04 1.46 1.35 1zhyA1 LYS 168 HG3 -0.46 -0.03 -0.34 -0.04 1.46 0.58 1zhyA1 LYS 168 HD2 -0.00 -0.02 -0.05 -0.04 1.69 1.57 1zhyA1 LYS 168 HD3 -0.05 -0.00 -0.01 -0.04 1.68 1.57 1zhyA1 LYS 168 HE2 -0.30 0.00 -0.03 -0.04 2.99 2.62 1zhyA1 LYS 168 HE3 -1.00 0.01 -0.10 -0.04 2.99 1.86 1zhyA1 ALA 169 H 0.07 0.23 0.19 -0.55 8.40 8.34 1zhyA1 ALA 169 HA -0.01 0.42 1.22 -0.75 4.34 5.22 1zhyA1 ALA 169 HB3 -0.08 -0.03 -0.03 -0.04 1.41 1.24 1zhyA1 SER 170 H -0.12 0.59 0.38 -0.55 8.46 8.77 1zhyA1 SER 170 HA 0.22 0.10 0.66 -0.75 4.49 4.72 1zhyA1 SER 170 HB2 0.13 0.04 0.07 -0.04 3.95 4.16 1zhyA1 SER 170 HB3 0.11 0.07 -0.18 -0.04 3.93 3.89 1zhyA1 PHE 171 H 0.28 0.20 0.17 -0.55 8.34 8.44 1zhyA1 PHE 171 HA -0.06 0.30 1.15 -0.75 4.62 5.26 1zhyA1 PHE 171 HB2 -0.08 0.04 0.08 -0.04 3.15 3.15 1zhyA1 PHE 171 HB3 -0.09 0.06 -0.04 -0.04 3.06 2.95 1zhyA1 PHE 171 HD2 -0.40 -0.00 -0.19 -0.04 7.28 6.64 1zhyA1 PHE 171 HE2 -0.87 -0.01 -0.12 -0.04 7.38 6.34 1zhyA1 PHE 171 HZ -0.29 0.01 -0.10 -0.04 7.32 6.90 1zhyA1 THR 172 H 0.10 0.50 0.29 -0.55 8.28 8.62 1zhyA1 THR 172 HA 0.06 0.19 0.61 -0.75 4.39 4.50 1zhyA1 THR 172 HB 0.03 -0.06 0.19 -0.04 4.32 4.44 1zhyA1 THR 172 HG23 0.01 0.06 0.01 -0.04 1.22 1.26 1zhyA1 LYS 173 H 0.03 0.16 0.18 -0.55 8.42 8.24 1zhyA1 LYS 173 HA 0.02 0.21 0.47 -0.75 4.32 4.26 1zhyA1 LYS 173 HB2 0.02 -0.04 0.11 -0.04 1.87 1.91 1zhyA1 LYS 173 HB3 0.01 0.05 0.10 -0.04 1.79 1.91 1zhyA1 LYS 173 HG2 0.02 0.09 0.05 -0.04 1.46 1.58 1zhyA1 LYS 173 HG3 0.02 -0.05 0.11 -0.04 1.46 1.51 1zhyA1 LYS 173 HD2 0.01 -0.03 0.04 -0.04 1.69 1.68 1zhyA1 LYS 173 HD3 0.01 0.02 0.04 -0.04 1.68 1.71 1zhyA1 LYS 173 HE2 0.02 0.05 0.03 -0.04 2.99 3.04 1zhyA1 LYS 173 HE3 0.02 -0.01 0.03 -0.04 2.99 2.99 1zhyA1 SER 174 H 0.03 -0.01 -0.22 -0.55 8.46 7.72 1zhyA1 SER 174 HA 0.03 0.21 0.55 -0.75 4.49 4.53 1zhyA1 SER 174 HB2 0.03 0.04 0.13 -0.04 3.95 4.11 1zhyA1 SER 174 HB3 0.02 0.01 0.05 -0.04 3.93 3.97 1zhyA1 LEU 175 H 0.05 0.39 -0.70 -0.55 8.37 7.56 1zhyA1 LEU 175 HA 0.09 0.15 0.18 -0.75 4.35 4.02 1zhyA1 LEU 175 HB2 0.07 0.15 0.18 -0.04 1.64 2.00 1zhyA1 LEU 175 HB3 0.05 -0.05 0.13 -0.04 1.64 1.73 1zhyA1 LEU 175 HG 0.00 0.01 -0.43 -0.04 1.64 1.18 1zhyA1 LEU 175 HD13 0.01 -0.01 -0.06 -0.04 0.93 0.82 1zhyA1 LEU 175 HD23 -0.13 0.03 -0.05 -0.04 0.89 0.69 1zhyA1 MET 176 H 0.08 -0.08 -0.19 -0.55 8.47 7.73 1zhyA1 MET 176 HA 0.07 0.21 0.66 -0.75 4.52 4.70 1zhyA1 MET 176 HB2 0.03 0.01 -0.02 -0.04 2.15 2.13 1zhyA1 MET 176 HB3 0.02 -0.12 0.06 -0.04 2.03 1.95 1zhyA1 MET 176 HG2 -0.08 -0.01 -0.12 -0.04 2.63 2.38 1zhyA1 MET 176 HG3 0.03 0.06 -0.31 -0.04 2.56 2.29 1zhyA1 MET 176 HE3 0.07 -0.01 -0.06 -0.04 2.10 2.06 1zhyA1 LEU 177 H -0.01 0.50 0.28 -0.55 8.37 8.60 1zhyA1 LEU 177 HA -0.52 0.21 0.86 -0.75 4.35 4.15 1zhyA1 LEU 177 HB2 -0.36 0.05 0.03 -0.04 1.64 1.31 1zhyA1 LEU 177 HB3 -0.15 -0.10 0.24 -0.04 1.64 1.59 1zhyA1 LEU 177 HG -0.30 0.02 -0.33 -0.04 1.64 1.00 1zhyA1 LEU 177 HD13 -1.35 0.04 -0.19 -0.04 0.93 -0.61 1zhyA1 LEU 177 HD23 -0.18 -0.01 -0.10 -0.04 0.89 0.56 1zhyA1 THR 178 H -0.16 0.75 0.37 -0.55 8.28 8.69 1zhyA1 THR 178 HA 0.01 0.08 0.74 -0.75 4.39 4.46 1zhyA1 THR 178 HB -0.03 -0.00 0.16 -0.04 4.32 4.41 1zhyA1 THR 178 HG23 0.02 0.00 -0.13 -0.04 1.22 1.07 1zhyA1 VAL 179 H -0.00 0.73 0.45 -0.55 8.24 8.87 1zhyA1 VAL 179 HA -0.00 0.24 1.13 -0.75 4.13 4.74 1zhyA1 VAL 179 HB -0.03 0.01 0.02 -0.04 2.12 2.08 1zhyA1 VAL 179 HG13 0.02 -0.02 -0.27 -0.04 0.97 0.66 1zhyA1 VAL 179 HG23 -0.06 -0.00 -0.30 -0.04 0.95 0.54 1zhyA1 LYS 180 H 0.09 0.65 0.34 -0.55 8.42 8.94 1zhyA1 LYS 180 HA 0.00 0.11 1.03 -0.75 4.32 4.71 1zhyA1 LYS 180 HB2 0.25 -0.02 0.21 -0.04 1.87 2.27 1zhyA1 LYS 180 HB3 -0.06 0.05 0.08 -0.04 1.79 1.82 1zhyA1 LYS 180 HG2 0.02 0.01 -0.01 -0.04 1.46 1.44 1zhyA1 LYS 180 HG3 0.06 -0.01 -0.10 -0.04 1.46 1.37 1zhyA1 LYS 180 HD2 0.16 0.01 -0.00 -0.04 1.69 1.82 1zhyA1 LYS 180 HD3 0.03 0.00 0.01 -0.04 1.68 1.69 1zhyA1 LYS 180 HE2 0.06 -0.00 -0.06 -0.04 2.99 2.95 1zhyA1 LYS 180 HE3 0.07 -0.01 -0.03 -0.04 2.99 2.98 1zhyA1 GLN 181 H -0.01 0.19 0.11 -0.55 8.47 8.21 1zhyA1 GLN 181 HA 0.17 0.17 0.94 -0.75 4.36 4.90 1zhyA1 GLN 181 HB2 0.04 0.08 -0.08 -0.04 2.15 2.15 1zhyA1 GLN 181 HB3 0.11 0.03 0.04 -0.04 2.02 2.16 1zhyA1 GLN 181 HG2 0.08 -0.08 -0.12 -0.04 2.40 2.24 1zhyA1 GLN 181 HG3 0.02 0.09 -0.06 -0.04 2.39 2.40 1zhyA1 GLN 181 HE21 0.16 -0.12 -0.06 -0.04 6.97 6.90 1zhyA1 GLN 181 HE22 -0.05 0.47 0.01 -0.04 7.69 8.08 1zhyA1 PHE 182 H 0.30 0.71 0.47 -0.55 8.34 9.27 1zhyA1 PHE 182 HA 0.07 0.05 0.86 -0.75 4.62 4.85 1zhyA1 PHE 182 HB2 0.09 -0.02 -0.04 -0.04 3.15 3.13 1zhyA1 PHE 182 HB3 0.12 -0.00 -0.07 -0.04 3.06 3.07 1zhyA1 PHE 182 HD2 0.08 0.07 -0.44 -0.04 7.28 6.95 1zhyA1 PHE 182 HE2 0.05 0.04 -0.13 -0.04 7.38 7.31 1zhyA1 PHE 182 HZ 0.05 -0.04 -0.07 -0.04 7.32 7.22 1zhyA1 GLY 183 H 0.11 0.19 0.14 -0.55 8.43 8.33 1zhyA1 GLY 183 HA2 -0.73 -0.04 0.36 -0.51 4.01 3.09 1zhyA1 GLY 183 HA3 -0.64 0.31 0.94 -0.51 4.01 4.11 1zhyA1 HIS 184 H -0.95 0.23 0.41 -0.55 8.41 7.55 1zhyA1 HIS 184 HA -0.01 0.20 0.76 -0.75 4.63 4.83 1zhyA1 HIS 184 HB2 0.01 0.04 0.15 -0.04 3.26 3.42 1zhyA1 HIS 184 HB3 -0.02 0.09 -0.01 -0.04 3.20 3.21 1zhyA1 HIS 184 HD2 -0.19 -0.02 -0.26 -0.04 6.97 6.46 1zhyA1 HIS 184 HE1 -1.68 0.03 -0.09 -0.04 7.75 5.97 1zhyA1 THR 185 H 0.13 0.71 0.45 -0.55 8.28 9.02 1zhyA1 THR 185 HA -0.13 0.21 1.23 -0.75 4.39 4.95 1zhyA1 THR 185 HB -0.21 0.01 0.09 -0.04 4.32 4.18 1zhyA1 THR 185 HG23 -0.41 -0.00 -0.20 -0.04 1.22 0.57 1zhyA1 MET 186 H -0.00 0.74 0.52 -0.55 8.47 9.18 1zhyA1 MET 186 HA 0.11 0.33 1.29 -0.75 4.52 5.50 1zhyA1 MET 186 HB2 0.07 -0.04 0.20 -0.04 2.15 2.34 1zhyA1 MET 186 HB3 0.08 -0.01 0.02 -0.04 2.03 2.09 1zhyA1 MET 186 HG2 0.14 0.05 -0.02 -0.04 2.63 2.76 1zhyA1 MET 186 HG3 0.19 -0.02 -0.19 -0.04 2.56 2.49 1zhyA1 MET 186 HE3 0.10 0.01 -0.01 -0.04 2.10 2.16 1zhyA1 LEU 187 H 0.12 0.73 0.43 -0.55 8.37 9.11 1zhyA1 LEU 187 HA -0.01 0.26 1.15 -0.75 4.35 4.99 1zhyA1 LEU 187 HB2 -0.05 -0.00 -0.04 -0.04 1.64 1.51 1zhyA1 LEU 187 HB3 0.05 -0.06 0.16 -0.04 1.64 1.75 1zhyA1 LEU 187 HG -0.25 -0.03 -0.35 -0.04 1.64 0.96 1zhyA1 LEU 187 HD13 -0.50 0.05 -0.10 -0.04 0.93 0.34 1zhyA1 LEU 187 HD23 -0.75 0.00 -0.08 -0.04 0.89 0.03 1zhyA1 ASP 188 H -0.03 0.91 0.45 -0.55 8.40 9.18 1zhyA1 ASP 188 HA 0.03 0.19 1.11 -0.75 4.63 5.21 1zhyA1 ASP 188 HB2 -0.01 -0.07 0.22 -0.04 2.71 2.81 1zhyA1 ASP 188 HB3 -0.01 0.18 -0.00 -0.04 2.70 2.82 1zhyA1 ILE 189 H 0.02 0.79 0.21 -0.55 8.25 8.73 1zhyA1 ILE 189 HA -0.18 0.17 0.90 -0.75 4.18 4.32 1zhyA1 ILE 189 HB 0.02 -0.10 0.15 -0.04 1.89 1.92 1zhyA1 ILE 189 HG12 -0.08 -0.02 -0.25 -0.04 1.49 1.09 1zhyA1 ILE 189 HG13 -0.23 -0.04 -0.11 -0.04 1.21 0.79 1zhyA1 ILE 189 HG23 -0.17 0.01 -0.22 -0.04 0.93 0.50 1zhyA1 ILE 189 HD13 -0.44 0.04 -0.13 -0.04 0.88 0.31 1zhyA1 LYS 190 H -0.09 0.82 0.27 -0.55 8.42 8.86 1zhyA1 LYS 190 HA -0.05 0.05 0.42 -0.75 4.32 3.99 1zhyA1 LYS 190 HB2 -0.05 0.14 0.03 -0.04 1.87 1.94 1zhyA1 LYS 190 HB3 -0.04 -0.15 0.29 -0.04 1.79 1.85 1zhyA1 LYS 190 HG2 -0.06 -0.00 0.08 -0.04 1.46 1.44 1zhyA1 LYS 190 HG3 -0.10 0.11 0.01 -0.04 1.46 1.44 1zhyA1 LYS 190 HD2 -0.07 0.05 0.02 -0.04 1.69 1.64 1zhyA1 LYS 190 HD3 -0.04 -0.12 0.05 -0.04 1.68 1.53 1zhyA1 LYS 190 HE2 -0.04 -0.03 0.03 -0.04 2.99 2.92 1zhyA1 LYS 190 HE3 -0.04 -0.07 0.02 -0.04 2.99 2.86 1zhyA1 ASP 191 H -0.03 0.11 0.26 -0.55 8.40 8.20 1zhyA1 ASP 191 HA -0.02 0.18 0.74 -0.75 4.63 4.77 1zhyA1 ASP 191 HB2 -0.03 -0.01 0.12 -0.04 2.71 2.75 1zhyA1 ASP 191 HB3 -0.02 -0.02 0.18 -0.04 2.70 2.80 1zhyA1 GLU 192 H -0.02 0.64 -0.12 -0.55 8.60 8.55 1zhyA1 GLU 192 HA -0.07 0.06 0.79 -0.75 4.29 4.31 1zhyA1 GLU 192 HB2 -0.01 -0.03 0.11 -0.04 2.09 2.13 1zhyA1 GLU 192 HB3 0.07 0.07 0.13 -0.04 1.99 2.22 1zhyA1 GLU 192 HG2 -0.19 0.00 -0.01 -0.04 2.34 2.11 1zhyA1 GLU 192 HG3 -0.10 -0.04 0.07 -0.04 2.34 2.23 1zhyA1 SER 193 H -0.16 0.05 0.28 -0.55 8.46 8.08 1zhyA1 SER 193 HA 0.05 0.39 1.25 -0.75 4.49 5.43 1zhyA1 SER 193 HB2 -0.00 0.02 0.01 -0.04 3.95 3.94 1zhyA1 SER 193 HB3 -0.02 0.05 -0.11 -0.04 3.93 3.81 1zhyA1 TYR 194 H 0.16 0.59 0.39 -0.55 8.29 8.88 1zhyA1 TYR 194 HA 0.02 0.26 0.94 -0.75 4.56 5.03 1zhyA1 TYR 194 HB2 0.03 0.00 0.11 -0.04 3.06 3.16 1zhyA1 TYR 194 HB3 0.08 0.02 -0.10 -0.04 2.98 2.93 1zhyA1 TYR 194 HD2 0.00 0.08 -0.24 -0.04 7.15 6.95 1zhyA1 TYR 194 HE2 -0.02 -0.01 -0.16 -0.04 6.85 6.63 1zhyA1 LEU 195 H 0.09 0.70 0.33 -0.55 8.37 8.95 1zhyA1 LEU 195 HA 0.13 0.20 1.09 -0.75 4.35 5.01 1zhyA1 LEU 195 HB2 0.05 -0.06 0.01 -0.04 1.64 1.60 1zhyA1 LEU 195 HB3 0.02 -0.01 0.18 -0.04 1.64 1.80 1zhyA1 LEU 195 HG 0.08 0.03 -0.31 -0.04 1.64 1.40 1zhyA1 LEU 195 HD13 0.13 0.02 -0.04 -0.04 0.93 1.00 1zhyA1 LEU 195 HD23 -0.06 -0.00 -0.15 -0.04 0.89 0.64 1zhyA1 VAL 196 H 0.15 0.87 0.46 -0.55 8.24 9.17 1zhyA1 VAL 196 HA 0.07 0.44 1.21 -0.75 4.13 5.09 1zhyA1 VAL 196 HB 0.24 -0.03 0.12 -0.04 2.12 2.41 1zhyA1 VAL 196 HG13 0.00 0.01 -0.16 -0.04 0.97 0.78 1zhyA1 VAL 196 HG23 0.29 -0.02 -0.17 -0.04 0.95 1.01 1zhyA1 THR 197 H 0.07 0.42 0.36 -0.55 8.28 8.57 1zhyA1 THR 197 HA 0.18 0.21 1.12 -0.75 4.39 5.15 1zhyA1 THR 197 HB 0.14 0.10 0.05 -0.04 4.32 4.56 1zhyA1 THR 197 HG23 0.17 -0.00 -0.07 -0.04 1.22 1.27 1zhyA1 PRO 198 HA 0.22 0.07 0.47 -0.51 4.44 4.69 1zhyA1 PRO 198 HB2 0.14 0.01 -0.08 -0.04 2.28 2.32 1zhyA1 PRO 198 HB3 0.20 0.01 0.02 -0.04 2.02 2.22 1zhyA1 PRO 198 HG2 0.27 0.05 -0.09 -0.04 2.03 2.22 1zhyA1 PRO 198 HG3 0.52 -0.01 -0.08 -0.04 2.03 2.42 1zhyA1 PRO 198 HD2 0.14 0.19 0.14 -0.04 3.68 4.10 1zhyA1 PRO 198 HD3 0.22 0.11 0.25 -0.04 3.65 4.19 1zhyA1 PRO 199 HA 0.01 0.29 0.73 -0.51 4.44 4.96 1zhyA1 PRO 199 HB2 -0.12 0.29 0.10 -0.04 2.28 2.51 1zhyA1 PRO 199 HB3 0.19 -0.05 -0.15 -0.04 2.02 1.97 1zhyA1 PRO 199 HG2 -0.47 0.01 -0.04 -0.04 2.03 1.49 1zhyA1 PRO 199 HG3 -0.73 -0.05 -0.01 -0.04 2.03 1.19 1zhyA1 PRO 199 HD2 -0.01 0.02 0.15 -0.04 3.68 3.81 1zhyA1 PRO 199 HD3 0.14 0.10 0.15 -0.04 3.65 4.00 1zhyA1 PRO 200 HA -0.05 0.04 0.70 -0.51 4.44 4.62 1zhyA1 PRO 200 HB2 -0.01 0.01 0.12 -0.04 2.28 2.36 1zhyA1 PRO 200 HB3 -0.03 -0.01 0.22 -0.04 2.02 2.16 1zhyA1 PRO 200 HG2 -0.01 -0.07 -0.29 -0.04 2.03 1.61 1zhyA1 PRO 200 HG3 -0.00 -0.04 0.06 -0.04 2.03 2.00 1zhyA1 PRO 200 HD2 0.01 0.20 0.34 -0.04 3.68 4.18 1zhyA1 PRO 200 HD3 -0.01 0.23 0.28 -0.04 3.65 4.11 1zhyA1 LEU 201 H -0.05 0.67 0.44 -0.55 8.37 8.88 1zhyA1 LEU 201 HA -0.15 0.07 0.65 -0.75 4.35 4.16 1zhyA1 LEU 201 HB2 -0.31 -0.01 0.00 -0.04 1.64 1.28 1zhyA1 LEU 201 HB3 -0.39 0.10 -0.23 -0.04 1.64 1.08 1zhyA1 LEU 201 HG -0.10 -0.01 -0.08 -0.04 1.64 1.41 1zhyA1 LEU 201 HD13 -0.09 -0.02 -0.36 -0.04 0.93 0.42 1zhyA1 LEU 201 HD23 -0.23 0.02 -0.17 -0.04 0.89 0.47 1zhyA1 HIS 202 H -0.40 0.63 0.37 -0.55 8.41 8.47 1zhyA1 HIS 202 HA -0.08 0.28 0.96 -0.75 4.63 5.03 1zhyA1 HIS 202 HB2 -0.05 -0.03 -0.04 -0.04 3.26 3.10 1zhyA1 HIS 202 HB3 -0.03 -0.03 -0.02 -0.04 3.20 3.08 1zhyA1 HIS 202 HD2 -0.02 -0.05 -0.22 -0.04 6.97 6.63 1zhyA1 HIS 202 HE1 -0.41 0.02 -0.19 -0.04 7.75 7.13 1zhyA1 ILE 203 H -0.02 0.59 0.32 -0.55 8.25 8.60 1zhyA1 ILE 203 HA -0.16 0.29 1.09 -0.75 4.18 4.65 1zhyA1 ILE 203 HB -0.04 -0.09 0.21 -0.04 1.89 1.92 1zhyA1 ILE 203 HG12 -0.02 0.03 -0.11 -0.04 1.49 1.35 1zhyA1 ILE 203 HG13 -0.04 0.02 -0.17 -0.04 1.21 0.97 1zhyA1 ILE 203 HG23 -0.01 0.01 -0.15 -0.04 0.93 0.74 1zhyA1 ILE 203 HD13 -0.07 -0.05 -0.16 -0.04 0.88 0.56 1zhyA1 GLU 204 H -0.53 0.53 0.29 -0.55 8.60 8.35 1zhyA1 GLU 204 HA -0.07 0.17 1.05 -0.75 4.29 4.68 1zhyA1 GLU 204 HB2 -0.19 -0.06 0.13 -0.04 2.09 1.93 1zhyA1 GLU 204 HB3 -0.01 0.00 0.04 -0.04 1.99 1.98 1zhyA1 GLU 204 HG2 -0.37 0.04 -0.04 -0.04 2.34 1.94 1zhyA1 GLU 204 HG3 -1.66 0.05 -0.04 -0.04 2.34 0.65 1zhyA1 GLY 205 H -0.00 0.12 0.14 -0.55 8.43 8.14 1zhyA1 GLY 205 HA2 0.14 -0.02 0.27 -0.51 4.01 3.90 1zhyA1 GLY 205 HA3 0.13 0.42 0.42 -0.51 4.01 4.47 1zhyA1 ILE 206 H 0.13 0.11 -0.20 -0.55 8.25 7.73 1zhyA1 ILE 206 HA 0.43 0.15 0.34 -0.75 4.18 4.34 1zhyA1 ILE 206 HB 0.21 0.11 0.11 -0.04 1.89 2.28 1zhyA1 ILE 206 HG12 0.15 -0.05 -0.20 -0.04 1.49 1.36 1zhyA1 ILE 206 HG13 0.27 0.05 -0.03 -0.04 1.21 1.47 1zhyA1 ILE 206 HG23 0.33 0.01 -0.15 -0.04 0.93 1.09 1zhyA1 ILE 206 HD13 0.33 0.00 -0.14 -0.04 0.88 1.04 1zhyA1 LEU 207 H 0.20 0.04 -0.07 -0.55 8.37 8.00 1zhyA1 LEU 207 HA 0.34 0.14 0.38 -0.75 4.35 4.46 1zhyA1 LEU 207 HB2 0.14 0.06 0.08 -0.04 1.64 1.88 1zhyA1 LEU 207 HB3 0.14 -0.10 0.05 -0.04 1.64 1.70 1zhyA1 LEU 207 HG 0.15 0.03 -0.23 -0.04 1.64 1.54 1zhyA1 LEU 207 HD13 0.13 0.02 0.02 -0.04 0.93 1.06 1zhyA1 LEU 207 HD23 0.08 -0.00 -0.03 -0.04 0.89 0.90 1zhyA1 VAL 208 H 0.17 -0.01 -0.38 -0.55 8.24 7.47 1zhyA1 VAL 208 HA 0.08 0.15 0.56 -0.75 4.13 4.17 1zhyA1 VAL 208 HB 0.02 0.04 0.11 -0.04 2.12 2.25 1zhyA1 VAL 208 HG13 0.08 -0.02 -0.05 -0.04 0.97 0.94 1zhyA1 VAL 208 HG23 0.10 -0.04 -0.09 -0.04 0.95 0.88 1zhyA1 ALA 209 H 0.17 0.31 -0.72 -0.55 8.40 7.61 1zhyA1 ALA 209 HA -0.62 0.06 0.25 -0.75 4.34 3.28 1zhyA1 ALA 209 HB3 -1.10 0.02 -0.06 -0.04 1.41 0.23 1zhyA1 SER 210 H 0.05 0.43 -0.27 -0.55 8.46 8.13 1zhyA1 SER 210 HA 0.04 0.21 0.71 -0.75 4.49 4.69 1zhyA1 SER 210 HB2 -0.01 0.07 -0.17 -0.04 3.95 3.80 1zhyA1 SER 210 HB3 0.09 -0.15 0.11 -0.04 3.93 3.94 1zhyA1 PRO 211 HA 0.07 0.29 0.51 -0.51 4.44 4.79 1zhyA1 PRO 211 HB2 0.10 0.01 -0.15 -0.04 2.28 2.21 1zhyA1 PRO 211 HB3 0.11 -0.05 -0.10 -0.04 2.02 1.93 1zhyA1 PRO 211 HG2 0.18 0.09 -0.10 -0.04 2.03 2.15 1zhyA1 PRO 211 HG3 0.26 -0.06 -0.17 -0.04 2.03 2.02 1zhyA1 PRO 211 HD2 0.08 0.27 0.04 -0.04 3.68 4.04 1zhyA1 PRO 211 HD3 0.03 0.11 -0.48 -0.04 3.65 3.27 1zhyA1 PHE 212 H -0.22 0.49 0.33 -0.55 8.34 8.39 1zhyA1 PHE 212 HA 0.03 0.02 0.57 -0.75 4.62 4.49 1zhyA1 PHE 212 HB2 0.02 0.00 0.14 -0.04 3.15 3.26 1zhyA1 PHE 212 HB3 0.02 0.17 -0.10 -0.04 3.06 3.10 1zhyA1 PHE 212 HD2 0.02 0.26 -0.24 -0.04 7.28 7.27 1zhyA1 PHE 212 HE2 0.03 -0.03 -0.11 -0.04 7.38 7.23 1zhyA1 PHE 212 HZ 0.05 -0.05 -0.07 -0.04 7.32 7.21 1zhyA1 VAL 213 H 0.20 0.20 0.20 -0.55 8.24 8.29 1zhyA1 VAL 213 HA -0.08 0.18 0.83 -0.75 4.13 4.30 1zhyA1 VAL 213 HB 0.15 0.12 0.19 -0.04 2.12 2.54 1zhyA1 VAL 213 HG13 -0.23 -0.03 -0.22 -0.04 0.97 0.46 1zhyA1 VAL 213 HG23 0.09 -0.01 -0.01 -0.04 0.95 0.97 1zhyA1 GLU 214 H -0.30 0.60 0.35 -0.55 8.60 8.71 1zhyA1 GLU 214 HA 0.03 0.09 0.86 -0.75 4.29 4.52 1zhyA1 GLU 214 HB2 -0.04 -0.02 -0.07 -0.04 2.09 1.93 1zhyA1 GLU 214 HB3 -0.85 -0.03 0.12 -0.04 1.99 1.20 1zhyA1 GLU 214 HG2 0.11 -0.03 -0.03 -0.04 2.34 2.35 1zhyA1 GLU 214 HG3 -0.13 0.16 -0.15 -0.04 2.34 2.18 1zhyA1 LEU 215 H -0.02 0.09 0.10 -0.55 8.37 7.99 1zhyA1 LEU 215 HA -0.40 0.15 0.69 -0.75 4.35 4.04 1zhyA1 LEU 215 HB2 -0.37 -0.05 0.04 -0.04 1.64 1.22 1zhyA1 LEU 215 HB3 -0.94 0.15 0.06 -0.04 1.64 0.87 1zhyA1 LEU 215 HG -0.64 -0.08 -0.03 -0.04 1.64 0.85 1zhyA1 LEU 215 HD13 -1.86 0.01 -0.06 -0.04 0.93 -1.03 1zhyA1 LEU 215 HD23 -1.37 0.02 -0.12 -0.04 0.89 -0.63 1zhyA1 GLU 216 H -0.18 0.68 0.27 -0.55 8.60 8.83 1zhyA1 GLU 216 HA -0.00 0.19 0.54 -0.75 4.29 4.26 1zhyA1 GLU 216 HB2 -0.08 -0.11 0.12 -0.04 2.09 1.98 1zhyA1 GLU 216 HB3 -0.09 0.03 -0.26 -0.04 1.99 1.62 1zhyA1 GLU 216 HG2 -0.01 0.06 -0.46 -0.04 2.34 1.89 1zhyA1 GLU 216 HG3 0.01 0.02 -0.30 -0.04 2.34 2.02 1zhyA1 GLY 217 H 0.04 0.06 0.19 -0.55 8.43 8.17 1zhyA1 GLY 217 HA2 0.03 -0.03 0.42 -0.51 4.01 3.93 1zhyA1 GLY 217 HA3 0.03 0.08 0.50 -0.51 4.01 4.12 1zhyA1 LYS 218 H -0.01 0.21 0.34 -0.55 8.42 8.41 1zhyA1 LYS 218 HA -0.04 0.29 1.18 -0.75 4.32 4.99 1zhyA1 LYS 218 HB2 -0.32 -0.03 -0.00 -0.04 1.87 1.48 1zhyA1 LYS 218 HB3 -0.33 0.07 0.10 -0.04 1.79 1.58 1zhyA1 LYS 218 HG2 -0.08 0.02 -0.12 -0.04 1.46 1.23 1zhyA1 LYS 218 HG3 -0.05 -0.17 -0.29 -0.04 1.46 0.91 1zhyA1 LYS 218 HD2 -0.05 0.02 -0.04 -0.04 1.69 1.57 1zhyA1 LYS 218 HD3 -0.08 0.01 -0.07 -0.04 1.68 1.50 1zhyA1 LYS 218 HE2 -0.02 -0.01 -0.05 -0.04 2.99 2.87 1zhyA1 LYS 218 HE3 -0.00 -0.05 -0.04 -0.04 2.99 2.86 1zhyA1 SER 219 H -0.18 0.57 0.44 -0.55 8.46 8.75 1zhyA1 SER 219 HA -0.08 0.27 0.78 -0.75 4.49 4.71 1zhyA1 SER 219 HB2 0.19 -0.11 0.08 -0.04 3.95 4.07 1zhyA1 SER 219 HB3 -0.11 -0.00 0.05 -0.04 3.93 3.83 1zhyA1 TYR 220 H 0.02 0.20 0.32 -0.55 8.29 8.28 1zhyA1 TYR 220 HA -0.01 0.32 1.20 -0.75 4.56 5.30 1zhyA1 TYR 220 HB2 0.00 -0.05 0.08 -0.04 3.06 3.05 1zhyA1 TYR 220 HB3 0.00 -0.02 0.03 -0.04 2.98 2.96 1zhyA1 TYR 220 HD2 0.01 -0.02 0.01 -0.04 7.15 7.11 1zhyA1 TYR 220 HE2 -0.00 0.11 0.00 -0.04 6.85 6.92 1zhyA1 ILE 221 H 0.14 0.51 0.26 -0.55 8.25 8.62 1zhyA1 ILE 221 HA 0.09 0.34 0.92 -0.75 4.18 4.77 1zhyA1 ILE 221 HB 0.10 -0.12 0.20 -0.04 1.89 2.03 1zhyA1 ILE 221 HG12 -0.19 0.07 -0.09 -0.04 1.49 1.24 1zhyA1 ILE 221 HG13 -0.20 -0.03 -0.43 -0.04 1.21 0.51 1zhyA1 ILE 221 HG23 0.24 -0.01 -0.18 -0.04 0.93 0.94 1zhyA1 ILE 221 HD13 -0.03 -0.01 -0.16 -0.04 0.88 0.65 1zhyA1 GLN 222 H 0.09 0.64 0.27 -0.55 8.47 8.92 1zhyA1 GLN 222 HA 0.03 0.19 1.04 -0.75 4.36 4.87 1zhyA1 GLN 222 HB2 -0.03 -0.01 0.04 -0.04 2.15 2.11 1zhyA1 GLN 222 HB3 -0.02 -0.05 0.17 -0.04 2.02 2.08 1zhyA1 GLN 222 HG2 -0.09 0.15 0.00 -0.04 2.40 2.42 1zhyA1 GLN 222 HG3 -0.07 -0.01 -0.29 -0.04 2.39 1.98 1zhyA1 GLN 222 HE21 -0.04 0.12 -0.12 -0.04 6.97 6.89 1zhyA1 GLN 222 HE22 -0.07 0.30 0.01 -0.04 7.69 7.89 1zhyA1 SER 223 H -0.04 0.74 0.29 -0.55 8.46 8.90 1zhyA1 SER 223 HA -0.43 0.34 1.10 -0.75 4.49 4.75 1zhyA1 SER 223 HB2 -0.33 0.04 0.02 -0.04 3.95 3.64 1zhyA1 SER 223 HB3 -0.16 -0.03 0.12 -0.04 3.93 3.82 1zhyA1 SER 224 H -0.36 0.57 0.39 -0.55 8.46 8.51 1zhyA1 SER 224 HA -0.12 0.13 0.51 -0.75 4.49 4.26 1zhyA1 SER 224 HB2 -0.09 0.06 0.19 -0.04 3.95 4.07 1zhyA1 SER 224 HB3 -0.12 0.02 0.21 -0.04 3.93 4.00 1zhyA1 THR 225 H -0.20 0.02 -0.34 -0.55 8.28 7.21 1zhyA1 THR 225 HA -0.07 0.16 0.58 -0.75 4.39 4.31 1zhyA1 THR 225 HB -0.04 -0.00 0.14 -0.04 4.32 4.38 1zhyA1 THR 225 HG23 -0.09 -0.00 0.05 -0.04 1.22 1.14 1zhyA1 GLY 226 H -0.09 0.46 -0.44 -0.55 8.43 7.82 1zhyA1 GLY 226 HA2 -0.04 0.01 0.36 -0.51 4.01 3.83 1zhyA1 GLY 226 HA3 -0.03 0.16 0.77 -0.51 4.01 4.40 1zhyA1 LEU 227 H -0.02 -0.08 -0.51 -0.55 8.37 7.22 1zhyA1 LEU 227 HA 0.06 0.27 0.34 -0.75 4.35 4.26 1zhyA1 LEU 227 HB2 0.05 -0.12 0.01 -0.04 1.64 1.53 1zhyA1 LEU 227 HB3 0.09 0.02 -0.03 -0.04 1.64 1.68 1zhyA1 LEU 227 HG 0.02 0.03 -0.06 -0.04 1.64 1.59 1zhyA1 LEU 227 HD13 0.07 -0.03 -0.20 -0.04 0.93 0.73 1zhyA1 LEU 227 HD23 0.06 0.03 -0.02 -0.04 0.89 0.92 1zhyA1 LEU 228 H 0.12 0.46 0.24 -0.55 8.37 8.65 1zhyA1 LEU 228 HA 0.10 0.31 1.02 -0.75 4.35 5.02 1zhyA1 LEU 228 HB2 0.04 0.06 -0.11 -0.04 1.64 1.58 1zhyA1 LEU 228 HB3 0.11 -0.11 -0.11 -0.04 1.64 1.50 1zhyA1 LEU 228 HG 0.19 -0.01 -0.44 -0.04 1.64 1.33 1zhyA1 LEU 228 HD13 0.09 0.03 -0.10 -0.04 0.93 0.91 1zhyA1 LEU 228 HD23 -0.02 -0.00 -0.08 -0.04 0.89 0.74 1zhyA1 CYS 229 H 0.14 0.64 0.35 -0.55 8.50 9.08 1zhyA1 CYS 229 HA 0.13 0.29 1.12 -0.75 4.58 5.37 1zhyA1 CYS 229 HB2 0.10 -0.04 -0.04 -0.04 2.97 2.95 1zhyA1 CYS 229 HB3 0.09 -0.02 0.13 -0.04 2.97 3.12 1zhyA1 VAL 230 H 0.16 0.65 0.34 -0.55 8.24 8.84 1zhyA1 VAL 230 HA 0.07 0.24 1.07 -0.75 4.13 4.76 1zhyA1 VAL 230 HB 0.23 -0.05 0.23 -0.04 2.12 2.49 1zhyA1 VAL 230 HG13 0.01 0.01 -0.09 -0.04 0.97 0.87 1zhyA1 VAL 230 HG23 0.29 0.01 -0.10 -0.04 0.95 1.10 1zhyA1 ILE 231 H -0.13 0.76 0.34 -0.55 8.25 8.67 1zhyA1 ILE 231 HA -0.07 0.20 1.12 -0.75 4.18 4.67 1zhyA1 ILE 231 HB -0.12 -0.02 0.13 -0.04 1.89 1.83 1zhyA1 ILE 231 HG12 0.11 0.01 -0.15 -0.04 1.49 1.41 1zhyA1 ILE 231 HG13 0.02 -0.06 -0.29 -0.04 1.21 0.85 1zhyA1 ILE 231 HG23 -0.47 -0.00 -0.23 -0.04 0.93 0.18 1zhyA1 ILE 231 HD13 -0.06 0.02 -0.26 -0.04 0.88 0.54 1zhyA1 GLU 232 H -0.14 0.73 0.41 -0.55 8.60 9.05 1zhyA1 GLU 232 HA -0.17 0.27 1.06 -0.75 4.29 4.70 1zhyA1 GLU 232 HB2 -0.05 -0.05 0.20 -0.04 2.09 2.15 1zhyA1 GLU 232 HB3 -0.03 0.01 0.00 -0.04 1.99 1.93 1zhyA1 GLU 232 HG2 -0.05 0.03 -0.07 -0.04 2.34 2.20 1zhyA1 GLU 232 HG3 -0.05 0.01 -0.13 -0.04 2.34 2.13 1zhyA1 PHE 233 H 0.06 0.71 0.20 -0.55 8.34 8.76 1zhyA1 PHE 233 HA 0.18 0.20 1.00 -0.75 4.62 5.25 1zhyA1 PHE 233 HB2 -0.03 0.01 -0.26 -0.04 3.15 2.83 1zhyA1 PHE 233 HB3 0.07 0.05 -0.19 -0.04 3.06 2.95 1zhyA1 PHE 233 HD2 0.07 0.15 -0.18 -0.04 7.28 7.28 1zhyA1 PHE 233 HE2 -0.25 -0.01 -0.15 -0.04 7.38 6.93 1zhyA1 PHE 233 HZ -0.15 -0.01 -0.13 -0.04 7.32 6.98 1zhyA1 SER 234 H 0.29 0.63 0.21 -0.55 8.46 9.04 1zhyA1 SER 234 HA 0.11 0.14 0.67 -0.75 4.49 4.66 1zhyA1 SER 234 HB2 0.16 0.12 -0.22 -0.04 3.95 3.97 1zhyA1 SER 234 HB3 0.16 0.02 -0.04 -0.04 3.93 4.03 1zhyA1 GLY 235 H 0.21 0.02 0.14 -0.55 8.43 8.25 1zhyA1 GLY 235 HA2 0.10 0.46 0.22 -0.51 4.01 4.28 1zhyA1 GLY 235 HA3 0.12 0.14 0.70 -0.51 4.01 4.46 1zhyA1 ARG 236 H 0.11 0.12 -0.10 -0.55 8.46 8.04 1zhyA1 ARG 236 HA 0.10 0.07 0.35 -0.75 4.34 4.11 1zhyA1 ARG 236 HB2 0.14 0.02 0.05 -0.04 1.90 2.07 1zhyA1 ARG 236 HB3 0.10 0.07 0.01 -0.04 1.80 1.94 1zhyA1 ARG 236 HG2 0.03 0.19 -0.08 -0.04 1.67 1.77 1zhyA1 ARG 236 HG3 0.03 -0.14 -0.01 -0.04 1.67 1.52 1zhyA1 ARG 236 HD2 0.01 0.02 0.01 -0.04 3.22 3.23 1zhyA1 ARG 236 HD3 0.02 0.05 0.02 -0.04 3.22 3.27 1zhyA1 GLY 237 H 0.10 0.19 0.17 -0.55 8.43 8.34 1zhyA1 GLY 237 HA2 0.04 0.02 0.36 -0.51 4.01 3.92 1zhyA1 GLY 237 HA3 0.16 0.12 0.54 -0.51 4.01 4.32 1zhyA1 TYR 238 H 0.30 0.28 -0.57 -0.55 8.29 7.75 1zhyA1 TYR 238 HA 0.10 0.27 0.90 -0.75 4.56 5.08 1zhyA1 TYR 238 HB2 0.14 -0.06 -0.04 -0.04 3.06 3.07 1zhyA1 TYR 238 HB3 0.16 -0.22 0.22 -0.04 2.98 3.10 1zhyA1 TYR 238 HD2 0.13 0.03 -0.18 -0.04 7.15 7.09 1zhyA1 TYR 238 HE2 0.04 -0.02 -0.07 -0.04 6.85 6.77 1zhyA1 PHE 239 H 0.45 0.14 0.14 -0.55 8.34 8.51 1zhyA1 PHE 239 HA 0.06 0.11 0.31 -0.75 4.62 4.35 1zhyA1 PHE 239 HB2 0.11 0.01 0.17 -0.04 3.15 3.39 1zhyA1 PHE 239 HB3 0.09 -0.04 0.07 -0.04 3.06 3.14 1zhyA1 PHE 239 HD2 0.04 -0.01 -0.06 -0.04 7.28 7.20 1zhyA1 PHE 239 HE2 0.02 0.00 -0.02 -0.04 7.38 7.34 1zhyA1 PHE 239 HZ 0.02 -0.00 -0.01 -0.04 7.32 7.28 1zhyA1 SER 240 H 0.25 -0.07 -0.05 -0.55 8.46 8.04 1zhyA1 SER 240 HA 0.04 0.17 0.48 -0.75 4.49 4.42 1zhyA1 SER 240 HB2 0.14 0.06 0.03 -0.04 3.95 4.14 1zhyA1 SER 240 HB3 0.12 -0.15 0.08 -0.04 3.93 3.94 1zhyA1 GLY 241 H 0.11 0.23 -0.15 -0.55 8.43 8.07 1zhyA1 GLY 241 HA2 0.06 -0.08 0.16 -0.51 4.01 3.64 1zhyA1 GLY 241 HA3 0.01 0.21 0.52 -0.51 4.01 4.24 1zhyA1 LYS 242 H 0.05 0.01 -0.44 -0.55 8.42 7.49 1zhyA1 LYS 242 HA -0.00 0.18 0.77 -0.75 4.32 4.51 1zhyA1 LYS 242 HB2 0.01 -0.05 -0.04 -0.04 1.87 1.75 1zhyA1 LYS 242 HB3 -0.02 0.07 -0.07 -0.04 1.79 1.74 1zhyA1 LYS 242 HG2 0.01 0.00 -0.35 -0.04 1.46 1.09 1zhyA1 LYS 242 HG3 -0.01 0.02 -0.10 -0.04 1.46 1.33 1zhyA1 LYS 242 HD2 -0.02 -0.01 -0.09 -0.04 1.69 1.53 1zhyA1 LYS 242 HD3 -0.01 0.06 -0.42 -0.04 1.68 1.27 1zhyA1 LYS 242 HE2 -0.01 -0.03 -0.06 -0.04 2.99 2.84 1zhyA1 LYS 242 HE3 -0.02 -0.03 -0.07 -0.04 2.99 2.84 1zhyA1 LYS 243 H -0.03 0.21 0.09 -0.55 8.42 8.13 1zhyA1 LYS 243 HA -0.01 -0.16 0.45 -0.75 4.32 3.84 1zhyA1 LYS 243 HB2 -0.07 0.02 0.14 -0.04 1.87 1.92 1zhyA1 LYS 243 HB3 -0.11 0.03 0.10 -0.04 1.79 1.76 1zhyA1 LYS 243 HG2 -0.21 0.04 -0.23 -0.04 1.46 1.02 1zhyA1 LYS 243 HG3 -0.10 -0.03 0.07 -0.04 1.46 1.36 1zhyA1 LYS 243 HD2 -0.16 -0.00 0.01 -0.04 1.69 1.50 1zhyA1 LYS 243 HD3 -0.17 0.00 -0.03 -0.04 1.68 1.44 1zhyA1 LYS 243 HE2 -0.23 0.00 -0.03 -0.04 2.99 2.69 1zhyA1 LYS 243 HE3 -0.27 0.02 -0.00 -0.04 2.99 2.70 1zhyA1 ASN 244 H -0.04 0.09 0.31 -0.55 8.53 8.35 1zhyA1 ASN 244 HA -0.01 0.10 0.46 -0.75 4.76 4.56 1zhyA1 ASN 244 HB2 -0.66 0.09 -0.06 -0.04 2.88 2.21 1zhyA1 ASN 244 HB3 -2.09 -0.12 0.23 -0.04 2.79 0.77 1zhyA1 ASN 244 HD21 -0.06 0.16 0.11 -0.04 7.03 7.20 1zhyA1 ASN 244 HD22 -0.05 -0.01 0.24 -0.04 7.74 7.88 1zhyA1 SER 245 H 0.10 0.21 -0.02 -0.55 8.46 8.21 1zhyA1 SER 245 HA 0.11 0.30 0.82 -0.75 4.49 4.96 1zhyA1 SER 245 HB2 0.03 0.01 0.07 -0.04 3.95 4.02 1zhyA1 SER 245 HB3 0.04 0.05 -0.09 -0.04 3.93 3.88 1zhyA1 PHE 246 H -0.03 0.53 0.44 -0.55 8.34 8.73 1zhyA1 PHE 246 HA 0.03 0.29 0.76 -0.75 4.62 4.94 1zhyA1 PHE 246 HB2 -0.26 0.04 -0.02 -0.04 3.15 2.87 1zhyA1 PHE 246 HB3 0.43 0.01 -0.30 -0.04 3.06 3.16 1zhyA1 PHE 246 HD2 0.12 -0.02 -0.34 -0.04 7.28 7.00 1zhyA1 PHE 246 HE2 0.09 0.01 -0.50 -0.04 7.38 6.94 1zhyA1 PHE 246 HZ 0.18 -0.01 -0.32 -0.04 7.32 7.13 1zhyA1 LYS 247 H 0.03 0.57 0.34 -0.55 8.42 8.79 1zhyA1 LYS 247 HA -0.24 0.34 1.01 -0.75 4.32 4.68 1zhyA1 LYS 247 HB2 -0.05 -0.07 -0.06 -0.04 1.87 1.65 1zhyA1 LYS 247 HB3 -0.03 -0.04 0.13 -0.04 1.79 1.81 1zhyA1 LYS 247 HG2 -0.05 0.01 -0.05 -0.04 1.46 1.33 1zhyA1 LYS 247 HG3 -0.11 0.05 0.08 -0.04 1.46 1.43 1zhyA1 LYS 247 HD2 -0.02 -0.04 -0.04 -0.04 1.69 1.55 1zhyA1 LYS 247 HD3 -0.01 -0.02 -0.04 -0.04 1.68 1.57 1zhyA1 LYS 247 HE2 -0.03 0.02 -0.07 -0.04 2.99 2.87 1zhyA1 LYS 247 HE3 -0.04 0.00 -0.07 -0.04 2.99 2.83 1zhyA1 ALA 248 H -0.04 0.74 0.39 -0.55 8.40 8.94 1zhyA1 ALA 248 HA 0.03 0.40 1.22 -0.75 4.34 5.23 1zhyA1 ALA 248 HB3 0.11 -0.03 -0.05 -0.04 1.41 1.41 1zhyA1 ARG 249 H 0.03 0.58 0.38 -0.55 8.46 8.90 1zhyA1 ARG 249 HA -0.11 0.35 1.18 -0.75 4.34 5.01 1zhyA1 ARG 249 HB2 0.06 -0.02 0.17 -0.04 1.90 2.07 1zhyA1 ARG 249 HB3 -0.47 0.01 0.09 -0.04 1.80 1.39 1zhyA1 ARG 249 HG2 -0.07 0.08 0.06 -0.04 1.67 1.70 1zhyA1 ARG 249 HG3 -0.01 -0.07 -0.24 -0.04 1.67 1.32 1zhyA1 ARG 249 HD2 0.15 -0.03 0.01 -0.04 3.22 3.31 1zhyA1 ARG 249 HD3 0.02 0.08 0.06 -0.04 3.22 3.34 1zhyA1 ILE 250 H -0.15 0.37 0.33 -0.55 8.25 8.25 1zhyA1 ILE 250 HA 0.01 0.33 1.12 -0.75 4.18 4.89 1zhyA1 ILE 250 HB 0.13 -0.10 0.14 -0.04 1.89 2.02 1zhyA1 ILE 250 HG12 0.05 0.04 -0.15 -0.04 1.49 1.40 1zhyA1 ILE 250 HG13 -0.00 -0.04 -0.27 -0.04 1.21 0.86 1zhyA1 ILE 250 HG23 0.10 -0.00 -0.16 -0.04 0.93 0.83 1zhyA1 ILE 250 HD13 -0.03 -0.00 -0.17 -0.04 0.88 0.64 1zhyA1 TYR 251 H 0.18 0.78 0.40 -0.55 8.29 9.10 1zhyA1 TYR 251 HA 0.04 0.19 1.00 -0.75 4.56 5.03 1zhyA1 TYR 251 HB2 0.03 0.05 -0.03 -0.04 3.06 3.07 1zhyA1 TYR 251 HB3 0.02 -0.12 0.01 -0.04 2.98 2.85 1zhyA1 TYR 251 HD2 0.03 0.07 -0.28 -0.04 7.15 6.92 1zhyA1 TYR 251 HE2 0.02 0.05 -0.12 -0.04 6.85 6.76 1zhyA1 LYS 252 H 0.14 0.22 0.17 -0.55 8.42 8.41 1zhyA1 LYS 252 HA 0.06 0.04 0.41 -0.75 4.32 4.08 1zhyA1 LYS 252 HB2 0.06 -0.04 0.11 -0.04 1.87 1.96 1zhyA1 LYS 252 HB3 0.03 0.03 0.05 -0.04 1.79 1.87 1zhyA1 LYS 252 HG2 0.04 -0.01 0.06 -0.04 1.46 1.50 1zhyA1 LYS 252 HG3 0.05 0.03 0.13 -0.04 1.46 1.64 1zhyA1 LYS 252 HD2 0.03 0.00 0.05 -0.04 1.69 1.74 1zhyA1 LYS 252 HD3 0.02 -0.01 0.03 -0.04 1.68 1.69 1zhyA1 LYS 252 HE2 0.02 0.08 0.05 -0.04 2.99 3.09 1zhyA1 LYS 252 HE3 0.01 0.00 0.03 -0.04 2.99 2.99 1zhyA1 ASP 253 H 0.10 0.11 -0.09 -0.55 8.40 7.97 1zhyA1 ASP 253 HA 0.02 0.62 0.45 -0.75 4.63 4.97 1zhyA1 ASP 253 HB2 -0.02 -0.03 0.18 -0.04 2.71 2.80 1zhyA1 ASP 253 HB3 -0.00 0.23 0.03 -0.04 2.70 2.92 1zhyA1 SER 254 H -0.04 0.36 0.16 -0.55 8.46 8.40 1zhyA1 SER 254 HA -0.09 0.04 0.38 -0.75 4.49 4.07 1zhyA1 SER 254 HB2 -0.12 0.06 0.08 -0.04 3.95 3.93 1zhyA1 SER 254 HB3 -0.09 0.05 0.16 -0.04 3.93 4.01 1zhyA1 LYS 255 H -0.05 0.07 -0.29 -0.55 8.42 7.59 1zhyA1 LYS 255 HA -0.06 0.13 0.39 -0.75 4.32 4.03 1zhyA1 LYS 255 HB2 -0.03 -0.07 0.03 -0.04 1.87 1.76 1zhyA1 LYS 255 HB3 -0.03 0.03 -0.02 -0.04 1.79 1.72 1zhyA1 LYS 255 HG2 -0.04 0.04 0.02 -0.04 1.46 1.45 1zhyA1 LYS 255 HG3 -0.04 0.01 0.03 -0.04 1.46 1.41 1zhyA1 LYS 255 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.61 1zhyA1 LYS 255 HD3 -0.03 0.04 0.01 -0.04 1.68 1.65 1zhyA1 LYS 255 HE2 -0.03 0.03 0.04 -0.04 2.99 2.99 1zhyA1 LYS 255 HE3 -0.02 -0.07 -0.00 -0.04 2.99 2.86 1zhyA1 ASP 256 H -0.04 0.15 -0.22 -0.55 8.40 7.74 1zhyA1 ASP 256 HA -0.03 0.10 0.49 -0.75 4.63 4.44 1zhyA1 ASP 256 HB2 0.08 -0.07 0.15 -0.04 2.71 2.82 1zhyA1 ASP 256 HB3 0.17 0.06 0.02 -0.04 2.70 2.91 1zhyA1 SER 257 H -0.29 0.29 -0.37 -0.55 8.46 7.54 1zhyA1 SER 257 HA -2.26 0.03 0.24 -0.75 4.49 1.75 1zhyA1 SER 257 HB2 -0.48 -0.02 0.04 -0.04 3.95 3.44 1zhyA1 SER 257 HB3 -0.45 -0.05 0.02 -0.04 3.93 3.41 1zhyA1 LYS 258 H -0.20 0.26 -0.73 -0.55 8.42 7.19 1zhyA1 LYS 258 HA -0.10 0.09 0.49 -0.75 4.32 4.04 1zhyA1 LYS 258 HB2 -0.06 0.01 -0.01 -0.04 1.87 1.76 1zhyA1 LYS 258 HB3 -0.06 -0.06 0.11 -0.04 1.79 1.74 1zhyA1 LYS 258 HG2 -0.11 0.24 0.06 -0.04 1.46 1.61 1zhyA1 LYS 258 HG3 -0.06 -0.07 0.06 -0.04 1.46 1.35 1zhyA1 LYS 258 HD2 -0.10 -0.04 -0.17 -0.04 1.69 1.34 1zhyA1 LYS 258 HD3 -0.10 0.11 -0.04 -0.04 1.68 1.62 1zhyA1 LYS 258 HE2 -0.05 -0.04 0.02 -0.04 2.99 2.87 1zhyA1 LYS 258 HE3 -0.05 -0.00 -0.02 -0.04 2.99 2.88 1zhyA1 ASP 259 H -0.12 0.56 -0.34 -0.55 8.40 7.95 1zhyA1 ASP 259 HA 0.00 0.14 0.88 -0.75 4.63 4.90 1zhyA1 ASP 259 HB2 -0.01 0.05 -0.05 -0.04 2.71 2.66 1zhyA1 ASP 259 HB3 0.02 0.05 0.21 -0.04 2.70 2.94 1zhyA1 LYS 260 H 0.05 0.23 0.01 -0.55 8.42 8.16 1zhyA1 LYS 260 HA 0.32 0.10 0.30 -0.75 4.32 4.29 1zhyA1 LYS 260 HB2 0.06 -0.02 0.06 -0.04 1.87 1.92 1zhyA1 LYS 260 HB3 0.08 0.03 0.03 -0.04 1.79 1.89 1zhyA1 LYS 260 HG2 0.15 0.05 0.02 -0.04 1.46 1.63 1zhyA1 LYS 260 HG3 0.05 0.03 0.03 -0.04 1.46 1.53 1zhyA1 LYS 260 HD2 0.03 -0.02 -0.00 -0.04 1.69 1.66 1zhyA1 LYS 260 HD3 0.05 -0.00 -0.01 -0.04 1.68 1.68 1zhyA1 LYS 260 HE2 0.05 0.03 -0.01 -0.04 2.99 3.02 1zhyA1 LYS 260 HE3 0.01 0.02 -0.01 -0.04 2.99 2.97 1zhyA1 GLU 261 H 0.06 0.03 -0.46 -0.55 8.60 7.69 1zhyA1 GLU 261 HA 0.03 0.12 0.42 -0.75 4.29 4.11 1zhyA1 GLU 261 HB2 0.03 -0.04 0.05 -0.04 2.09 2.09 1zhyA1 GLU 261 HB3 0.03 0.00 -0.03 -0.04 1.99 1.95 1zhyA1 GLU 261 HG2 0.01 0.03 0.01 -0.04 2.34 2.35 1zhyA1 GLU 261 HG3 0.01 0.01 0.06 -0.04 2.34 2.39 1zhyA1 LYS 262 H 0.14 0.66 -0.24 -0.55 8.42 8.42 1zhyA1 LYS 262 HA 0.05 0.09 0.58 -0.75 4.32 4.29 1zhyA1 LYS 262 HB2 0.21 0.31 0.14 -0.04 1.87 2.48 1zhyA1 LYS 262 HB3 0.13 -0.16 0.16 -0.04 1.79 1.88 1zhyA1 LYS 262 HG2 0.04 -0.02 0.00 -0.04 1.46 1.45 1zhyA1 LYS 262 HG3 0.05 -0.06 0.03 -0.04 1.46 1.43 1zhyA1 LYS 262 HD2 0.03 0.10 0.16 -0.04 1.69 1.94 1zhyA1 LYS 262 HD3 0.04 -0.09 0.07 -0.04 1.68 1.65 1zhyA1 LYS 262 HE2 0.01 -0.01 0.01 -0.04 2.99 2.96 1zhyA1 LYS 262 HE3 0.00 -0.00 -0.00 -0.04 2.99 2.95 1zhyA1 ALA 263 H 0.06 0.34 -0.45 -0.55 8.40 7.81 1zhyA1 ALA 263 HA -0.58 -0.01 0.40 -0.75 4.34 3.40 1zhyA1 ALA 263 HB3 -0.26 0.02 0.08 -0.04 1.41 1.21 1zhyA1 LEU 264 H -0.20 0.70 0.50 -0.55 8.37 8.83 1zhyA1 LEU 264 HA -0.18 0.07 0.65 -0.75 4.35 4.13 1zhyA1 LEU 264 HB2 0.04 -0.01 0.10 -0.04 1.64 1.74 1zhyA1 LEU 264 HB3 -0.19 -0.09 0.08 -0.04 1.64 1.40 1zhyA1 LEU 264 HG -0.02 0.05 0.15 -0.04 1.64 1.77 1zhyA1 LEU 264 HD13 0.06 -0.03 -0.12 -0.04 0.93 0.80 1zhyA1 LEU 264 HD23 -0.04 0.01 0.04 -0.04 0.89 0.86 1zhyA1 TYR 265 H -0.03 0.18 0.24 -0.55 8.29 8.13 1zhyA1 TYR 265 HA -0.06 0.27 0.87 -0.75 4.56 4.89 1zhyA1 TYR 265 HB2 -0.07 -0.11 -0.01 -0.04 3.06 2.83 1zhyA1 TYR 265 HB3 -0.06 0.05 -0.02 -0.04 2.98 2.91 1zhyA1 TYR 265 HD2 -0.01 -0.01 -0.18 -0.04 7.15 6.92 1zhyA1 TYR 265 HE2 0.04 -0.03 -0.10 -0.04 6.85 6.72 1zhyA1 THR 266 H 0.05 0.65 0.29 -0.55 8.28 8.72 1zhyA1 THR 266 HA -0.05 0.25 1.02 -0.75 4.39 4.85 1zhyA1 THR 266 HB -0.03 -0.03 0.10 -0.04 4.32 4.32 1zhyA1 THR 266 HG23 -0.05 -0.01 -0.13 -0.04 1.22 0.99 1zhyA1 ILE 267 H -0.09 0.79 0.39 -0.55 8.25 8.79 1zhyA1 ILE 267 HA -0.15 0.34 1.17 -0.75 4.18 4.78 1zhyA1 ILE 267 HB -0.13 -0.09 0.12 -0.04 1.89 1.75 1zhyA1 ILE 267 HG12 -0.52 0.01 -0.12 -0.04 1.49 0.83 1zhyA1 ILE 267 HG13 -0.23 -0.07 -0.25 -0.04 1.21 0.62 1zhyA1 ILE 267 HG23 -0.36 0.01 -0.21 -0.04 0.93 0.34 1zhyA1 ILE 267 HD13 -0.89 -0.01 -0.16 -0.04 0.88 -0.22 1zhyA1 SER 268 H -0.17 0.60 0.39 -0.55 8.46 8.74 1zhyA1 SER 268 HA -0.61 0.31 0.99 -0.75 4.49 4.42 1zhyA1 SER 268 HB2 -0.18 0.01 0.13 -0.04 3.95 3.87 1zhyA1 SER 268 HB3 -0.16 0.00 -0.12 -0.04 3.93 3.62 1zhyA1 GLY 269 H -0.55 0.53 0.39 -0.55 8.43 8.26 1zhyA1 GLY 269 HA2 -0.11 0.01 0.40 -0.51 4.01 3.80 1zhyA1 GLY 269 HA3 -0.09 0.15 0.93 -0.51 4.01 4.50 1zhyA1 GLN 270 H 0.07 0.63 0.20 -0.55 8.47 8.82 1zhyA1 GLN 270 HA 0.09 0.42 1.05 -0.75 4.36 5.16 1zhyA1 GLN 270 HB2 -0.04 -0.14 0.14 -0.04 2.15 2.07 1zhyA1 GLN 270 HB3 -0.20 -0.06 0.01 -0.04 2.02 1.73 1zhyA1 GLN 270 HG2 -0.09 0.27 -0.23 -0.04 2.40 2.31 1zhyA1 GLN 270 HG3 -0.04 -0.11 -0.19 -0.04 2.39 2.00 1zhyA1 GLN 270 HE21 -0.06 -0.02 -0.02 -0.04 6.97 6.83 1zhyA1 GLN 270 HE22 -0.05 -0.01 -0.04 -0.04 7.69 7.55 1zhyA1 TRP 271 H 0.09 0.55 0.18 -0.55 7.97 8.24 1zhyA1 TRP 271 HA 0.18 0.11 0.33 -0.75 4.62 4.48 1zhyA1 TRP 271 HB2 -0.13 0.04 0.04 -0.04 3.23 3.14 1zhyA1 TRP 271 HB3 -0.27 -0.00 -0.02 -0.04 3.23 2.89 1zhyA1 TRP 271 HD1 0.38 0.04 -0.23 -0.04 7.22 7.37 1zhyA1 TRP 271 HE1 0.04 -0.01 -0.04 -0.04 10.20 10.15 1zhyA1 TRP 271 HE3 -0.05 -0.03 -0.55 -0.04 7.59 6.92 1zhyA1 TRP 271 HZ2 -0.16 -0.08 0.00 -0.04 7.44 7.16 1zhyA1 TRP 271 HZ3 -0.04 0.00 -0.31 -0.04 7.13 6.74 1zhyA1 TRP 271 HH2 -0.03 0.07 -0.12 -0.04 7.19 7.06 1zhyA1 SER 272 H -0.49 0.11 -0.32 -0.55 8.46 7.21 1zhyA1 SER 272 HA 0.05 0.17 0.69 -0.75 4.49 4.65 1zhyA1 SER 272 HB2 -0.24 0.03 0.08 -0.04 3.95 3.77 1zhyA1 SER 272 HB3 -0.81 0.00 -0.04 -0.04 3.93 3.05 1zhyA1 GLY 273 H 0.00 0.38 -0.61 -0.55 8.43 7.66 1zhyA1 GLY 273 HA2 -0.06 0.11 0.71 -0.51 4.01 4.26 1zhyA1 GLY 273 HA3 -0.06 -0.04 0.34 -0.51 4.01 3.74 1zhyA1 SER 274 H -0.01 0.11 0.23 -0.55 8.46 8.24 1zhyA1 SER 274 HA 0.03 0.44 1.28 -0.75 4.49 5.48 1zhyA1 SER 274 HB2 0.01 0.04 0.09 -0.04 3.95 4.05 1zhyA1 SER 274 HB3 -0.03 -0.06 0.08 -0.04 3.93 3.87 1zhyA1 SER 275 H 0.16 0.48 0.43 -0.55 8.46 8.98 1zhyA1 SER 275 HA 0.05 0.19 0.96 -0.75 4.49 4.93 1zhyA1 SER 275 HB2 0.10 0.05 -0.24 -0.04 3.95 3.82 1zhyA1 SER 275 HB3 0.34 -0.01 -0.37 -0.04 3.93 3.85 1zhyA1 LYS 276 H -0.00 0.73 0.44 -0.55 8.42 9.04 1zhyA1 LYS 276 HA 0.12 0.13 1.14 -0.75 4.32 4.96 1zhyA1 LYS 276 HB2 0.04 0.06 0.05 -0.04 1.87 1.98 1zhyA1 LYS 276 HB3 0.03 -0.07 -0.03 -0.04 1.79 1.68 1zhyA1 LYS 276 HG2 -0.03 0.08 0.13 -0.04 1.46 1.60 1zhyA1 LYS 276 HG3 -0.02 -0.02 -0.23 -0.04 1.46 1.16 1zhyA1 LYS 276 HD2 0.01 0.04 -0.10 -0.04 1.69 1.59 1zhyA1 LYS 276 HD3 -0.00 -0.03 -0.06 -0.04 1.68 1.54 1zhyA1 LYS 276 HE2 -0.03 -0.04 -0.06 -0.04 2.99 2.82 1zhyA1 LYS 276 HE3 -0.02 0.00 -0.11 -0.04 2.99 2.82 1zhyA1 ILE 277 H 0.09 0.60 0.37 -0.55 8.25 8.76 1zhyA1 ILE 277 HA -0.03 0.27 1.13 -0.75 4.18 4.81 1zhyA1 ILE 277 HB 0.02 -0.05 -0.13 -0.04 1.89 1.69 1zhyA1 ILE 277 HG12 0.17 0.01 -0.36 -0.04 1.49 1.27 1zhyA1 ILE 277 HG13 0.00 0.02 -0.10 -0.04 1.21 1.09 1zhyA1 ILE 277 HG23 0.18 0.03 -0.06 -0.04 0.93 1.03 1zhyA1 ILE 277 HD13 -0.15 -0.02 -0.15 -0.04 0.88 0.52 1zhyA1 ILE 278 H 0.03 0.62 0.34 -0.55 8.25 8.69 1zhyA1 ILE 278 HA 0.05 0.26 0.97 -0.75 4.18 4.71 1zhyA1 ILE 278 HB 0.00 -0.03 0.04 -0.04 1.89 1.86 1zhyA1 ILE 278 HG12 0.01 0.24 -0.09 -0.04 1.49 1.61 1zhyA1 ILE 278 HG13 0.01 -0.15 -0.34 -0.04 1.21 0.69 1zhyA1 ILE 278 HG23 -0.00 0.09 -0.47 -0.04 0.93 0.51 1zhyA1 ILE 278 HD13 -0.01 -0.04 -0.10 -0.04 0.88 0.69 1zhyA1 LYS 279 H 0.04 0.23 0.14 -0.55 8.42 8.27 1zhyA1 LYS 279 HA -0.15 0.17 0.87 -0.75 4.32 4.45 1zhyA1 LYS 279 HB2 0.09 0.01 0.05 -0.04 1.87 1.98 1zhyA1 LYS 279 HB3 -0.02 -0.04 0.10 -0.04 1.79 1.79 1zhyA1 LYS 279 HG2 -0.21 -0.01 -0.05 -0.04 1.46 1.15 1zhyA1 LYS 279 HG3 -0.68 0.07 0.12 -0.04 1.46 0.92 1zhyA1 LYS 279 HD2 0.09 -0.01 -0.04 -0.04 1.69 1.68 1zhyA1 LYS 279 HD3 -0.01 -0.01 -0.03 -0.04 1.68 1.58 1zhyA1 LYS 279 HE2 -0.09 0.00 -0.01 -0.04 2.99 2.84 1zhyA1 LYS 279 HE3 -0.14 -0.05 -0.03 -0.04 2.99 2.74 1zhyA1 ALA 280 H -0.30 0.78 0.29 -0.55 8.40 8.62 1zhyA1 ALA 280 HA -0.13 0.20 0.38 -0.75 4.34 4.04 1zhyA1 ALA 280 HB3 -0.08 -0.00 0.09 -0.04 1.41 1.38 1zhyA1 ASN 281 H -0.04 0.03 0.25 -0.55 8.53 8.23 1zhyA1 ASN 281 HA -0.03 0.23 0.72 -0.75 4.76 4.94 1zhyA1 ASN 281 HB2 -0.01 -0.04 0.18 -0.04 2.88 2.97 1zhyA1 ASN 281 HB3 -0.02 0.12 -0.09 -0.04 2.79 2.75 1zhyA1 ASN 281 HD21 -0.01 -0.02 -0.02 -0.04 7.03 6.95 1zhyA1 ASN 281 HD22 -0.01 -0.02 0.04 -0.04 7.74 7.72 1zhyA1 LYS 282 H -0.03 0.53 0.15 -0.55 8.42 8.53 1zhyA1 LYS 282 HA -0.01 0.03 0.57 -0.75 4.32 4.16 1zhyA1 LYS 282 HB2 -0.01 0.15 0.28 -0.04 1.87 2.25 1zhyA1 LYS 282 HB3 0.00 -0.11 0.23 -0.04 1.79 1.87 1zhyA1 LYS 282 HG2 -0.01 0.01 0.08 -0.04 1.46 1.50 1zhyA1 LYS 282 HG3 -0.01 -0.01 0.06 -0.04 1.46 1.46 1zhyA1 LYS 282 HD2 -0.03 -0.29 0.19 -0.04 1.69 1.52 1zhyA1 LYS 282 HD3 -0.03 0.09 0.02 -0.04 1.68 1.71 1zhyA1 LYS 282 HE2 -0.01 0.02 0.02 -0.04 2.99 2.97 1zhyA1 LYS 282 HE3 -0.02 -0.01 0.01 -0.04 2.99 2.93 1zhyA1 LYS 283 H -0.01 0.61 0.08 -0.55 8.42 8.55 1zhyA1 LYS 283 HA -0.00 0.07 0.18 -0.75 4.32 3.81 1zhyA1 LYS 283 HB2 -0.00 -0.06 0.04 -0.04 1.87 1.81 1zhyA1 LYS 283 HB3 -0.00 -0.00 -0.02 -0.04 1.79 1.73 1zhyA1 LYS 283 HG2 -0.01 -0.00 -0.03 -0.04 1.46 1.38 1zhyA1 LYS 283 HG3 -0.01 0.24 0.10 -0.04 1.46 1.76 1zhyA1 LYS 283 HD2 -0.00 -0.03 0.03 -0.04 1.69 1.65 1zhyA1 LYS 283 HD3 -0.00 -0.02 -0.01 -0.04 1.68 1.61 1zhyA1 LYS 283 HE2 -0.00 0.04 0.05 -0.04 2.99 3.04 1zhyA1 LYS 283 HE3 0.00 -0.04 0.01 -0.04 2.99 2.92 1zhyA1 GLU 284 H 0.00 -0.02 -0.35 -0.55 8.60 7.68 1zhyA1 GLU 284 HA 0.00 0.02 0.33 -0.75 4.29 3.89 1zhyA1 GLU 284 HB2 0.00 -0.05 0.05 -0.04 2.09 2.06 1zhyA1 GLU 284 HB3 0.00 0.01 0.00 -0.04 1.99 1.96 1zhyA1 GLU 284 HG2 0.00 -0.05 0.05 -0.04 2.34 2.30 1zhyA1 GLU 284 HG3 0.00 0.00 0.02 -0.04 2.34 2.33 1zhyA1 GLU 285 H 0.01 0.15 -0.12 -0.55 8.60 8.10 1zhyA1 GLU 285 HA 0.01 0.10 0.84 -0.75 4.29 4.50 1zhyA1 GLU 285 HB2 0.02 -0.01 0.17 -0.04 2.09 2.22 1zhyA1 GLU 285 HB3 0.02 0.02 0.03 -0.04 1.99 2.03 1zhyA1 GLU 285 HG2 0.01 0.04 -0.04 -0.04 2.34 2.30 1zhyA1 GLU 285 HG3 0.01 -0.11 -0.01 -0.04 2.34 2.19 1zhyA1 SER 286 H 0.02 0.26 0.28 -0.55 8.46 8.47 1zhyA1 SER 286 HA 0.04 0.29 0.90 -0.75 4.49 4.96 1zhyA1 SER 286 HB2 0.03 -0.06 -0.01 -0.04 3.95 3.87 1zhyA1 SER 286 HB3 0.02 0.12 -0.22 -0.04 3.93 3.81 1zhyA1 ARG 287 H 0.07 0.48 0.38 -0.55 8.46 8.84 1zhyA1 ARG 287 HA 0.05 0.15 0.94 -0.75 4.34 4.73 1zhyA1 ARG 287 HB2 0.09 0.03 0.07 -0.04 1.90 2.05 1zhyA1 ARG 287 HB3 0.07 0.02 0.12 -0.04 1.80 1.96 1zhyA1 ARG 287 HG2 0.05 0.03 -0.07 -0.04 1.67 1.64 1zhyA1 ARG 287 HG3 0.06 -0.05 -0.23 -0.04 1.67 1.41 1zhyA1 ARG 287 HD2 0.07 0.27 0.03 -0.04 3.22 3.56 1zhyA1 ARG 287 HD3 0.05 0.00 0.03 -0.04 3.22 3.26 1zhyA1 LEU 288 H 0.05 0.14 0.16 -0.55 8.37 8.17 1zhyA1 LEU 288 HA 0.08 0.08 0.58 -0.75 4.35 4.34 1zhyA1 LEU 288 HB2 0.03 -0.00 0.10 -0.04 1.64 1.72 1zhyA1 LEU 288 HB3 0.03 0.01 0.11 -0.04 1.64 1.75 1zhyA1 LEU 288 HG 0.02 0.01 -0.41 -0.04 1.64 1.22 1zhyA1 LEU 288 HD13 0.03 0.04 -0.03 -0.04 0.93 0.92 1zhyA1 LEU 288 HD23 -0.02 -0.01 -0.08 -0.04 0.89 0.74 1zhyA1 PHE 289 H 0.24 0.72 0.49 -0.55 8.34 9.23 1zhyA1 PHE 289 HA 0.07 0.13 0.74 -0.75 4.62 4.81 1zhyA1 PHE 289 HB2 0.08 -0.04 -0.26 -0.04 3.15 2.89 1zhyA1 PHE 289 HB3 0.14 0.01 -0.18 -0.04 3.06 2.99 1zhyA1 PHE 289 HD2 0.15 -0.00 -0.17 -0.04 7.28 7.22 1zhyA1 PHE 289 HE2 0.02 0.01 -0.16 -0.04 7.38 7.21 1zhyA1 PHE 289 HZ 0.03 -0.02 -0.25 -0.04 7.32 7.05 1zhyA1 TYR 290 H 0.28 0.30 0.23 -0.55 8.29 8.55 1zhyA1 TYR 290 HA -0.13 0.12 0.57 -0.75 4.56 4.37 1zhyA1 TYR 290 HB2 -0.38 0.09 -0.28 -0.04 3.06 2.46 1zhyA1 TYR 290 HB3 0.16 -0.04 -0.09 -0.04 2.98 2.97 1zhyA1 TYR 290 HD2 -0.06 0.03 -0.12 -0.04 7.15 6.95 1zhyA1 TYR 290 HE2 -0.15 0.04 -0.09 -0.04 6.85 6.61 1zhyA1 ASP 291 H -0.56 0.26 0.01 -0.55 8.40 7.56 1zhyA1 ASP 291 HA -0.19 0.25 0.81 -0.75 4.63 4.75 1zhyA1 ASP 291 HB2 -0.11 0.02 -0.04 -0.04 2.71 2.54 1zhyA1 ASP 291 HB3 -0.19 0.02 0.14 -0.04 2.70 2.62 1zhyA1 ALA 292 H -0.27 0.80 0.01 -0.55 8.40 8.39 1zhyA1 ALA 292 HA -0.48 0.06 0.31 -0.75 4.34 3.48 1zhyA1 ALA 292 HB3 0.08 0.04 -0.15 -0.04 1.41 1.35 1zhyA1 ALA 293 H -0.15 -0.02 -0.45 -0.55 8.40 7.23 1zhyA1 ALA 293 HA -0.05 0.19 0.48 -0.75 4.34 4.20 1zhyA1 ALA 293 HB3 -0.06 -0.00 -0.00 -0.04 1.41 1.30 1zhyA1 ARG 294 H -0.15 0.26 -0.25 -0.55 8.46 7.76 1zhyA1 ARG 294 HA -0.05 0.12 0.48 -0.75 4.34 4.14 1zhyA1 ARG 294 HB2 -0.12 0.08 0.05 -0.04 1.90 1.86 1zhyA1 ARG 294 HB3 -0.06 -0.01 0.01 -0.04 1.80 1.70 1zhyA1 ARG 294 HG2 -0.10 -0.09 -0.02 -0.04 1.67 1.41 1zhyA1 ARG 294 HG3 -0.07 -0.01 -0.01 -0.04 1.67 1.53 1zhyA1 ARG 294 HD2 -0.05 0.04 -0.20 -0.04 3.22 2.97 1zhyA1 ARG 294 HD3 -0.05 -0.03 -0.07 -0.04 3.22 3.02 1zhyA1 ILE 295 H -0.08 0.21 -0.23 -0.55 8.25 7.60 1zhyA1 ILE 295 HA 0.03 0.24 1.01 -0.75 4.18 4.71 1zhyA1 ILE 295 HB -0.01 -0.03 0.07 -0.04 1.89 1.89 1zhyA1 ILE 295 HG12 0.01 0.06 -0.15 -0.04 1.49 1.37 1zhyA1 ILE 295 HG13 -0.05 -0.13 -0.35 -0.04 1.21 0.63 1zhyA1 ILE 295 HG23 0.14 0.03 -0.09 -0.04 0.93 0.96 1zhyA1 ILE 295 HD13 0.00 -0.02 -0.06 -0.04 0.88 0.76 1zhyA1 PRO 296 HA 0.06 0.03 0.41 -0.51 4.44 4.43 1zhyA1 PRO 296 HB2 0.01 0.00 -0.01 -0.04 2.28 2.24 1zhyA1 PRO 296 HB3 0.01 0.01 0.07 -0.04 2.02 2.07 1zhyA1 PRO 296 HG2 0.02 -0.01 0.04 -0.04 2.03 2.04 1zhyA1 PRO 296 HG3 0.02 0.08 -0.01 -0.04 2.03 2.07 1zhyA1 PRO 296 HD2 0.04 0.03 0.16 -0.04 3.68 3.87 1zhyA1 PRO 296 HD3 0.02 0.33 0.06 -0.04 3.65 4.02 1zhyA1 ALA 297 H 0.00 0.05 0.15 -0.55 8.40 8.06 1zhyA1 ALA 297 HA -0.46 0.17 0.50 -0.75 4.34 3.79 1zhyA1 ALA 297 HB3 -0.11 -0.02 0.04 -0.04 1.41 1.28 1zhyA1 GLU 298 H -0.20 0.79 0.35 -0.55 8.60 9.00 1zhyA1 GLU 298 HA -0.12 0.10 0.85 -0.75 4.29 4.36 1zhyA1 GLU 298 HB2 0.08 0.01 0.15 -0.04 2.09 2.29 1zhyA1 GLU 298 HB3 0.19 -0.06 -0.01 -0.04 1.99 2.07 1zhyA1 GLU 298 HG2 0.04 0.02 -0.04 -0.04 2.34 2.33 1zhyA1 GLU 298 HG3 0.03 0.16 -0.04 -0.04 2.34 2.45 1zhyA1 HIS 299 H -0.19 0.16 0.09 -0.55 8.41 7.92 1zhyA1 HIS 299 HA 0.16 0.06 0.56 -0.75 4.63 4.66 1zhyA1 HIS 299 HB2 0.01 -0.00 0.07 -0.04 3.26 3.31 1zhyA1 HIS 299 HB3 -0.00 0.02 0.03 -0.04 3.20 3.20 1zhyA1 HIS 299 HD2 0.03 -0.01 0.01 -0.04 6.97 6.95 1zhyA1 HIS 299 HE1 0.02 -0.00 -0.08 -0.04 7.75 7.64 1zhyA1 LEU 300 H -0.23 0.08 0.08 -0.55 8.37 7.75 1zhyA1 LEU 300 HA -1.00 0.04 0.38 -0.75 4.35 3.02 1zhyA1 LEU 300 HB2 -1.53 -0.05 -0.20 -0.04 1.64 -0.18 1zhyA1 LEU 300 HB3 -2.23 0.04 -0.03 -0.04 1.64 -0.62 1zhyA1 LEU 300 HG -0.50 0.06 -0.52 -0.04 1.64 0.64 1zhyA1 LEU 300 HD13 -0.69 -0.02 -0.24 -0.04 0.93 -0.07 1zhyA1 LEU 300 HD23 -0.18 -0.01 -0.09 -0.04 0.89 0.57 1zhyA1 ASN 301 H -0.38 0.76 0.42 -0.55 8.53 8.78 1zhyA1 ASN 301 HA -0.11 0.14 0.76 -0.75 4.76 4.79 1zhyA1 ASN 301 HB2 -0.07 -0.03 0.16 -0.04 2.88 2.90 1zhyA1 ASN 301 HB3 -0.12 0.04 0.27 -0.04 2.79 2.94 1zhyA1 ASN 301 HD21 -0.02 0.01 -0.05 -0.04 7.03 6.94 1zhyA1 ASN 301 HD22 -0.02 -0.00 0.02 -0.04 7.74 7.70 1zhyA1 VAL 302 H -0.08 0.28 0.21 -0.55 8.24 8.10 1zhyA1 VAL 302 HA -0.16 0.13 0.99 -0.75 4.13 4.33 1zhyA1 VAL 302 HB -0.01 0.01 0.09 -0.04 2.12 2.16 1zhyA1 VAL 302 HG13 -0.02 0.07 0.04 -0.04 0.97 1.02 1zhyA1 VAL 302 HG23 -0.12 0.03 -0.18 -0.04 0.95 0.64 1zhyA1 LYS 303 H -0.05 0.10 0.13 -0.55 8.42 8.05 1zhyA1 LYS 303 HA -0.01 0.07 0.36 -0.75 4.32 3.99 1zhyA1 LYS 303 HB2 0.02 0.06 0.06 -0.04 1.87 1.97 1zhyA1 LYS 303 HB3 0.00 -0.05 0.08 -0.04 1.79 1.78 1zhyA1 LYS 303 HG2 0.01 -0.10 0.01 -0.04 1.46 1.35 1zhyA1 LYS 303 HG3 0.03 0.13 -0.37 -0.04 1.46 1.21 1zhyA1 LYS 303 HD2 0.07 -0.09 -0.28 -0.04 1.69 1.35 1zhyA1 LYS 303 HD3 0.05 0.07 -0.24 -0.04 1.68 1.51 1zhyA1 LYS 303 HE2 0.08 0.02 -0.07 -0.04 2.99 2.98 1zhyA1 LYS 303 HE3 0.04 -0.06 -0.11 -0.04 2.99 2.83 1zhyA1 PRO 304 HA 0.02 0.11 0.50 -0.51 4.44 4.56 1zhyA1 PRO 304 HB2 0.01 -0.08 0.06 -0.04 2.28 2.23 1zhyA1 PRO 304 HB3 0.01 0.09 0.14 -0.04 2.02 2.23 1zhyA1 PRO 304 HG2 0.01 -0.06 0.06 -0.04 2.03 2.00 1zhyA1 PRO 304 HG3 0.01 0.10 0.07 -0.04 2.03 2.17 1zhyA1 PRO 304 HD2 0.01 0.09 0.20 -0.04 3.68 3.94 1zhyA1 PRO 304 HD3 0.01 0.16 0.18 -0.04 3.65 3.96 1zhyA1 LEU 305 H 0.02 0.18 0.17 -0.55 8.37 8.20 1zhyA1 LEU 305 HA 0.03 0.06 0.36 -0.75 4.35 4.04 1zhyA1 LEU 305 HB2 -0.03 -0.03 0.12 -0.04 1.64 1.66 1zhyA1 LEU 305 HB3 -0.11 0.07 -0.02 -0.04 1.64 1.54 1zhyA1 LEU 305 HG 0.07 -0.00 0.07 -0.04 1.64 1.73 1zhyA1 LEU 305 HD13 0.09 0.02 0.01 -0.04 0.93 1.00 1zhyA1 LEU 305 HD23 0.09 0.01 -0.13 -0.04 0.89 0.81 1zhyA1 GLU 306 H -0.01 0.03 -0.28 -0.55 8.60 7.79 1zhyA1 GLU 306 HA -0.04 0.10 0.36 -0.75 4.29 3.96 1zhyA1 GLU 306 HB2 -0.00 -0.02 -0.02 -0.04 2.09 2.00 1zhyA1 GLU 306 HB3 -0.01 0.05 0.04 -0.04 1.99 2.02 1zhyA1 GLU 306 HG2 -0.01 0.03 0.02 -0.04 2.34 2.33 1zhyA1 GLU 306 HG3 -0.04 0.04 0.02 -0.04 2.34 2.31 1zhyA1 GLU 307 H 0.01 0.40 -0.46 -0.55 8.60 8.01 1zhyA1 GLU 307 HA 0.02 0.19 0.78 -0.75 4.29 4.52 1zhyA1 GLU 307 HB2 0.03 0.06 -0.00 -0.04 2.09 2.14 1zhyA1 GLU 307 HB3 0.04 -0.02 0.06 -0.04 1.99 2.03 1zhyA1 GLU 307 HG2 0.02 0.04 -0.04 -0.04 2.34 2.31 1zhyA1 GLU 307 HG3 0.01 -0.11 -0.16 -0.04 2.34 2.05 1zhyA1 GLN 308 H 0.03 0.29 -0.19 -0.55 8.47 8.05 1zhyA1 GLN 308 HA 0.10 0.01 0.55 -0.75 4.36 4.27 1zhyA1 GLN 308 HB2 0.06 0.14 0.13 -0.04 2.15 2.44 1zhyA1 GLN 308 HB3 0.12 -0.03 0.05 -0.04 2.02 2.12 1zhyA1 GLN 308 HG2 0.08 -0.05 -0.00 -0.04 2.40 2.38 1zhyA1 GLN 308 HG3 0.05 0.16 -0.20 -0.04 2.39 2.37 1zhyA1 GLN 308 HE21 0.10 -0.09 -0.07 -0.04 6.97 6.86 1zhyA1 GLN 308 HE22 0.05 0.44 -0.30 -0.04 7.69 7.84 1zhyA1 HIS 309 H 0.23 0.02 0.22 -0.55 8.41 8.33 1zhyA1 HIS 309 HA 0.06 0.21 0.52 -0.75 4.63 4.67 1zhyA1 HIS 309 HB2 0.11 0.12 0.14 -0.04 3.26 3.59 1zhyA1 HIS 309 HB3 0.13 -0.13 0.15 -0.04 3.20 3.31 1zhyA1 HIS 309 HD2 0.08 0.10 -0.03 -0.04 6.97 7.07 1zhyA1 HIS 309 HE1 0.10 0.06 0.00 -0.04 7.75 7.87 1zhyA1 PRO 310 HA 0.01 0.12 0.37 -0.51 4.44 4.43 1zhyA1 PRO 310 HB2 -0.09 -0.00 0.02 -0.04 2.28 2.17 1zhyA1 PRO 310 HB3 -0.07 0.05 0.08 -0.04 2.02 2.04 1zhyA1 PRO 310 HG2 -0.21 0.04 0.08 -0.04 2.03 1.90 1zhyA1 PRO 310 HG3 -0.12 0.10 0.08 -0.04 2.03 2.05 1zhyA1 PRO 310 HD2 -1.30 0.06 0.20 -0.04 3.68 2.60 1zhyA1 PRO 310 HD3 -0.30 0.21 0.24 -0.04 3.65 3.77 1zhyA1 LEU 311 H 0.78 0.05 -0.32 -0.55 8.37 8.33 1zhyA1 LEU 311 HA 0.35 0.18 0.60 -0.75 4.35 4.73 1zhyA1 LEU 311 HB2 0.28 -0.06 0.03 -0.04 1.64 1.84 1zhyA1 LEU 311 HB3 0.24 0.05 0.10 -0.04 1.64 1.99 1zhyA1 LEU 311 HG 0.39 -0.05 -0.05 -0.04 1.64 1.89 1zhyA1 LEU 311 HD13 0.26 0.03 0.02 -0.04 0.93 1.19 1zhyA1 LEU 311 HD23 0.38 0.03 -0.10 -0.04 0.89 1.16 1zhyA1 GLU 312 H 0.29 0.42 -0.25 -0.55 8.60 8.52 1zhyA1 GLU 312 HA 0.23 0.17 0.60 -0.75 4.29 4.52 1zhyA1 GLU 312 HB2 0.19 0.19 0.17 -0.04 2.09 2.59 1zhyA1 GLU 312 HB3 0.20 -0.08 0.09 -0.04 1.99 2.16 1zhyA1 GLU 312 HG2 0.19 -0.01 0.01 -0.04 2.34 2.49 1zhyA1 GLU 312 HG3 0.22 -0.05 0.10 -0.04 2.34 2.56 1zhyA1 SER 313 H 0.29 0.77 0.48 -0.55 8.46 9.45 1zhyA1 SER 313 HA 0.35 0.06 0.36 -0.75 4.49 4.51 1zhyA1 SER 313 HB2 0.21 0.11 0.10 -0.04 3.95 4.34 1zhyA1 SER 313 HB3 0.27 -0.07 0.18 -0.04 3.93 4.26 1zhyA1 ARG 314 H 0.29 0.11 -0.02 -0.55 8.46 8.29 1zhyA1 ARG 314 HA 0.26 0.09 0.41 -0.75 4.34 4.35 1zhyA1 ARG 314 HB2 0.20 0.00 0.06 -0.04 1.90 2.11 1zhyA1 ARG 314 HB3 0.19 0.05 0.03 -0.04 1.80 2.02 1zhyA1 ARG 314 HG2 0.12 0.06 0.03 -0.04 1.67 1.83 1zhyA1 ARG 314 HG3 0.21 -0.11 0.07 -0.04 1.67 1.80 1zhyA1 ARG 314 HD2 0.23 0.01 0.01 -0.04 3.22 3.43 1zhyA1 ARG 314 HD3 0.13 0.04 -0.00 -0.04 3.22 3.35 1zhyA1 LYS 315 H 0.19 0.12 -0.29 -0.55 8.42 7.88 1zhyA1 LYS 315 HA 0.09 0.03 0.46 -0.75 4.32 4.14 1zhyA1 LYS 315 HB2 0.10 -0.11 0.03 -0.04 1.87 1.84 1zhyA1 LYS 315 HB3 0.12 0.19 0.03 -0.04 1.79 2.09 1zhyA1 LYS 315 HG2 0.03 0.10 -0.32 -0.04 1.46 1.24 1zhyA1 LYS 315 HG3 0.01 -0.04 -0.18 -0.04 1.46 1.22 1zhyA1 LYS 315 HD2 -0.07 -0.12 0.04 -0.04 1.69 1.50 1zhyA1 LYS 315 HD3 -0.01 0.09 0.05 -0.04 1.68 1.78 1zhyA1 LYS 315 HE2 -0.03 0.18 -0.05 -0.04 2.99 3.06 1zhyA1 LYS 315 HE3 -0.06 -0.09 -0.04 -0.04 2.99 2.77 1zhyA1 ALA 316 H 0.17 0.58 -0.07 -0.55 8.40 8.53 1zhyA1 ALA 316 HA -0.07 0.06 0.44 -0.75 4.34 4.01 1zhyA1 ALA 316 HB3 -0.03 0.05 0.04 -0.04 1.41 1.43 1zhyA1 TRP 317 H 0.31 0.56 -0.14 -0.55 7.97 8.16 1zhyA1 TRP 317 HA 0.08 0.11 0.68 -0.75 4.62 4.74 1zhyA1 TRP 317 HB2 0.09 0.13 0.06 -0.04 3.23 3.47 1zhyA1 TRP 317 HB3 0.06 -0.08 0.11 -0.04 3.23 3.28 1zhyA1 TRP 317 HD1 0.12 0.04 0.02 -0.04 7.22 7.37 1zhyA1 TRP 317 HE1 0.09 -0.13 -0.04 -0.04 10.20 10.07 1zhyA1 TRP 317 HE3 0.04 -0.10 0.03 -0.04 7.59 7.52 1zhyA1 TRP 317 HZ2 0.20 0.09 -0.09 -0.04 7.44 7.60 1zhyA1 TRP 317 HZ3 0.03 -0.00 0.01 -0.04 7.13 7.13 1zhyA1 TRP 317 HH2 0.08 0.06 -0.02 -0.04 7.19 7.27 1zhyA1 TYR 318 H 0.29 0.39 -0.52 -0.55 8.29 7.90 1zhyA1 TYR 318 HA 0.12 0.02 0.36 -0.75 4.56 4.31 1zhyA1 TYR 318 HB2 0.08 0.18 0.24 -0.04 3.06 3.51 1zhyA1 TYR 318 HB3 0.05 -0.02 0.13 -0.04 2.98 3.10 1zhyA1 TYR 318 HD2 0.05 0.01 -0.02 -0.04 7.15 7.14 1zhyA1 TYR 318 HE2 0.03 -0.01 -0.02 -0.04 6.85 6.80 1zhyA1 ASP 319 H 0.16 0.23 -0.13 -0.55 8.40 8.12 1zhyA1 ASP 319 HA -0.10 0.06 0.45 -0.75 4.63 4.28 1zhyA1 ASP 319 HB2 0.05 0.05 0.08 -0.04 2.71 2.85 1zhyA1 ASP 319 HB3 0.03 -0.01 0.02 -0.04 2.70 2.69 1zhyA1 VAL 320 H 0.17 0.21 -0.22 -0.55 8.24 7.85 1zhyA1 VAL 320 HA 0.08 0.03 0.45 -0.75 4.13 3.94 1zhyA1 VAL 320 HB 0.50 0.11 0.12 -0.04 2.12 2.80 1zhyA1 VAL 320 HG13 0.12 0.01 -0.11 -0.04 0.97 0.94 1zhyA1 VAL 320 HG23 0.33 -0.03 -0.14 -0.04 0.95 1.07 1zhyA1 ALA 321 H 0.12 0.73 -0.00 -0.55 8.40 8.70 1zhyA1 ALA 321 HA -0.02 0.02 0.40 -0.75 4.34 3.99 1zhyA1 ALA 321 HB3 0.02 0.03 0.08 -0.04 1.41 1.51 1zhyA1 GLY 322 H -0.15 0.55 -0.20 -0.55 8.43 8.09 1zhyA1 GLY 322 HA2 -0.12 0.03 0.40 -0.51 4.01 3.81 1zhyA1 GLY 322 HA3 -0.20 0.05 0.30 -0.51 4.01 3.65 1zhyA1 ALA 323 H -0.04 0.47 -0.21 -0.55 8.40 8.08 1zhyA1 ALA 323 HA -0.02 -0.03 0.43 -0.75 4.34 3.96 1zhyA1 ALA 323 HB3 -0.01 0.01 -0.02 -0.04 1.41 1.35 1zhyA1 ILE 324 H -0.04 0.56 -0.21 -0.55 8.25 8.01 1zhyA1 ILE 324 HA -0.07 -0.01 0.42 -0.75 4.18 3.76 1zhyA1 ILE 324 HB -0.05 0.08 0.08 -0.04 1.89 1.96 1zhyA1 ILE 324 HG12 -0.09 -0.03 -0.08 -0.04 1.49 1.25 1zhyA1 ILE 324 HG13 -0.04 0.06 -0.02 -0.04 1.21 1.17 1zhyA1 ILE 324 HG23 -0.07 0.00 -0.30 -0.04 0.93 0.52 1zhyA1 ILE 324 HD13 -0.09 -0.02 -0.28 -0.04 0.88 0.45 1zhyA1 LYS 325 H -0.04 0.48 -0.15 -0.55 8.42 8.16 1zhyA1 LYS 325 HA -0.02 0.09 0.39 -0.75 4.32 4.02 1zhyA1 LYS 325 HB2 -0.04 0.07 0.15 -0.04 1.87 2.01 1zhyA1 LYS 325 HB3 -0.02 -0.05 0.06 -0.04 1.79 1.73 1zhyA1 LYS 325 HG2 -0.02 -0.01 0.03 -0.04 1.46 1.42 1zhyA1 LYS 325 HG3 -0.04 0.21 0.10 -0.04 1.46 1.70 1zhyA1 LYS 325 HD2 -0.04 -0.04 -0.06 -0.04 1.69 1.51 1zhyA1 LYS 325 HD3 -0.02 -0.03 -0.00 -0.04 1.68 1.59 1zhyA1 LYS 325 HE2 -0.01 0.01 -0.02 -0.04 2.99 2.92 1zhyA1 LYS 325 HE3 -0.02 -0.01 -0.07 -0.04 2.99 2.85 1zhyA1 LEU 326 H -0.03 0.26 -0.40 -0.55 8.37 7.65 1zhyA1 LEU 326 HA -0.00 0.09 0.56 -0.75 4.35 4.24 1zhyA1 LEU 326 HB2 -0.01 0.05 0.17 -0.04 1.64 1.80 1zhyA1 LEU 326 HB3 0.00 -0.11 0.02 -0.04 1.64 1.51 1zhyA1 LEU 326 HG -0.00 -0.02 0.03 -0.04 1.64 1.61 1zhyA1 LEU 326 HD13 -0.02 0.13 -0.04 -0.04 0.93 0.95 1zhyA1 LEU 326 HD23 -0.01 -0.04 -0.02 -0.04 0.89 0.79 1zhyA1 GLY 327 H -0.03 0.35 -0.31 -0.55 8.43 7.89 1zhyA1 GLY 327 HA2 -0.06 0.06 0.26 -0.51 4.01 3.75 1zhyA1 GLY 327 HA3 -0.00 0.09 0.43 -0.51 4.01 4.02 1zhyA1 ASP 328 H -0.01 0.33 -0.14 -0.55 8.40 8.03 1zhyA1 ASP 328 HA 0.06 0.11 0.58 -0.75 4.63 4.63 1zhyA1 ASP 328 HB2 0.02 0.13 0.03 -0.04 2.71 2.85 1zhyA1 ASP 328 HB3 0.01 -0.05 0.18 -0.04 2.70 2.81 1zhyA1 PHE 329 H 0.21 0.31 0.23 -0.55 8.34 8.53 1zhyA1 PHE 329 HA -0.00 0.12 0.33 -0.75 4.62 4.31 1zhyA1 PHE 329 HB2 0.02 0.03 0.23 -0.04 3.15 3.38 1zhyA1 PHE 329 HB3 0.01 -0.00 0.03 -0.04 3.06 3.05 1zhyA1 PHE 329 HD2 0.01 0.01 0.04 -0.04 7.28 7.31 1zhyA1 PHE 329 HE2 0.02 0.03 0.02 -0.04 7.38 7.40 1zhyA1 PHE 329 HZ -0.01 -0.00 0.03 -0.04 7.32 7.30 1zhyA1 ASN 330 H 0.17 0.12 -0.05 -0.55 8.53 8.23 1zhyA1 ASN 330 HA 0.11 0.11 0.44 -0.75 4.76 4.66 1zhyA1 ASN 330 HB2 0.06 -0.01 0.06 -0.04 2.88 2.95 1zhyA1 ASN 330 HB3 0.05 0.04 0.01 -0.04 2.79 2.85 1zhyA1 ASN 330 HD21 0.02 0.04 0.03 -0.04 7.03 7.08 1zhyA1 ASN 330 HD22 0.04 0.01 0.03 -0.04 7.74 7.78 1zhyA1 LEU 331 H 0.06 0.10 -0.25 -0.55 8.37 7.74 1zhyA1 LEU 331 HA 0.03 0.04 0.43 -0.75 4.35 4.11 1zhyA1 LEU 331 HB2 0.03 -0.03 0.09 -0.04 1.64 1.68 1zhyA1 LEU 331 HB3 0.02 0.11 0.08 -0.04 1.64 1.81 1zhyA1 LEU 331 HG 0.01 0.00 -0.04 -0.04 1.64 1.57 1zhyA1 LEU 331 HD13 0.02 -0.01 0.04 -0.04 0.93 0.94 1zhyA1 LEU 331 HD23 0.00 0.01 -0.00 -0.04 0.89 0.86 1zhyA1 ILE 332 H 0.02 0.61 -0.20 -0.55 8.25 8.13 1zhyA1 ILE 332 HA 0.01 0.01 0.42 -0.75 4.18 3.87 1zhyA1 ILE 332 HB -0.05 0.13 0.10 -0.04 1.89 2.03 1zhyA1 ILE 332 HG12 -0.05 -0.08 -0.34 -0.04 1.49 0.98 1zhyA1 ILE 332 HG13 -0.04 0.18 -0.09 -0.04 1.21 1.22 1zhyA1 ILE 332 HG23 -0.05 -0.00 -0.15 -0.04 0.93 0.69 1zhyA1 ILE 332 HD13 -0.17 -0.00 -0.22 -0.04 0.88 0.45 1zhyA1 ALA 333 H 0.06 0.48 -0.08 -0.55 8.40 8.30 1zhyA1 ALA 333 HA 0.05 0.04 0.38 -0.75 4.34 4.07 1zhyA1 ALA 333 HB3 0.08 0.03 0.10 -0.04 1.41 1.57 1zhyA1 LYS 334 H 0.04 0.49 -0.23 -0.55 8.42 8.17 1zhyA1 LYS 334 HA 0.03 0.03 0.42 -0.75 4.32 4.04 1zhyA1 LYS 334 HB2 0.03 0.06 0.11 -0.04 1.87 2.03 1zhyA1 LYS 334 HB3 0.03 0.03 0.19 -0.04 1.79 2.00 1zhyA1 LYS 334 HG2 0.01 -0.01 -0.20 -0.04 1.46 1.22 1zhyA1 LYS 334 HG3 0.01 -0.02 0.01 -0.04 1.46 1.42 1zhyA1 LYS 334 HD2 0.02 -0.01 -0.03 -0.04 1.69 1.63 1zhyA1 LYS 334 HD3 0.02 -0.01 -0.02 -0.04 1.68 1.63 1zhyA1 LYS 334 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 1zhyA1 LYS 334 HE3 0.01 -0.00 -0.04 -0.04 2.99 2.92 1zhyA1 THR 335 H 0.03 0.72 0.01 -0.55 8.28 8.49 1zhyA1 THR 335 HA 0.02 0.01 0.42 -0.75 4.39 4.09 1zhyA1 THR 335 HB 0.06 -0.13 -0.12 -0.04 4.32 4.08 1zhyA1 THR 335 HG23 0.02 0.04 -0.00 -0.04 1.22 1.23 1zhyA1 LYS 336 H 0.07 0.65 -0.14 -0.55 8.42 8.46 1zhyA1 LYS 336 HA 0.22 -0.01 0.49 -0.75 4.32 4.27 1zhyA1 LYS 336 HB2 0.12 0.09 0.13 -0.04 1.87 2.16 1zhyA1 LYS 336 HB3 0.09 0.06 0.10 -0.04 1.79 2.00 1zhyA1 LYS 336 HG2 0.18 -0.05 -0.07 -0.04 1.46 1.48 1zhyA1 LYS 336 HG3 0.32 -0.06 0.04 -0.04 1.46 1.72 1zhyA1 LYS 336 HD2 0.05 0.01 -0.03 -0.04 1.69 1.67 1zhyA1 LYS 336 HD3 0.06 0.03 -0.04 -0.04 1.68 1.69 1zhyA1 LYS 336 HE2 0.11 -0.03 -0.03 -0.04 2.99 3.01 1zhyA1 LYS 336 HE3 0.09 -0.06 0.01 -0.04 2.99 2.98 1zhyA1 THR 337 H 0.05 0.60 -0.12 -0.55 8.28 8.26 1zhyA1 THR 337 HA 0.03 -0.01 0.38 -0.75 4.39 4.05 1zhyA1 THR 337 HB 0.02 0.11 0.17 -0.04 4.32 4.57 1zhyA1 THR 337 HG23 0.01 -0.03 -0.06 -0.04 1.22 1.10 1zhyA1 GLU 338 H 0.00 0.50 -0.26 -0.55 8.60 8.29 1zhyA1 GLU 338 HA -0.03 -0.01 0.41 -0.75 4.29 3.91 1zhyA1 GLU 338 HB2 -0.01 0.11 0.15 -0.04 2.09 2.30 1zhyA1 GLU 338 HB3 -0.03 0.12 0.18 -0.04 1.99 2.21 1zhyA1 GLU 338 HG2 -0.07 -0.01 -0.13 -0.04 2.34 2.09 1zhyA1 GLU 338 HG3 -0.04 -0.04 0.05 -0.04 2.34 2.27 1zhyA1 LEU 339 H -0.07 0.47 -0.11 -0.55 8.37 8.12 1zhyA1 LEU 339 HA -0.23 0.04 0.50 -0.75 4.35 3.90 1zhyA1 LEU 339 HB2 -0.30 0.04 0.17 -0.04 1.64 1.51 1zhyA1 LEU 339 HB3 -0.24 0.09 0.19 -0.04 1.64 1.64 1zhyA1 LEU 339 HG -0.65 -0.04 0.05 -0.04 1.64 0.96 1zhyA1 LEU 339 HD13 -1.21 0.01 -0.03 -0.04 0.93 -0.33 1zhyA1 LEU 339 HD23 -0.58 -0.02 -0.24 -0.04 0.89 0.01 1zhyA1 GLU 340 H -0.04 0.67 -0.00 -0.55 8.60 8.69 1zhyA1 GLU 340 HA -0.10 0.00 0.49 -0.75 4.29 3.93 1zhyA1 GLU 340 HB2 0.04 0.07 0.09 -0.04 2.09 2.25 1zhyA1 GLU 340 HB3 0.04 -0.05 0.08 -0.04 1.99 2.02 1zhyA1 GLU 340 HG2 0.14 -0.06 0.01 -0.04 2.34 2.38 1zhyA1 GLU 340 HG3 0.13 0.25 0.14 -0.04 2.34 2.82 1zhyA1 GLU 341 H -0.05 0.65 -0.22 -0.55 8.60 8.44 1zhyA1 GLU 341 HA -0.04 0.02 0.55 -0.75 4.29 4.06 1zhyA1 GLU 341 HB2 -0.02 0.10 0.13 -0.04 2.09 2.26 1zhyA1 GLU 341 HB3 -0.04 0.07 0.12 -0.04 1.99 2.10 1zhyA1 GLU 341 HG2 -0.02 -0.00 -0.01 -0.04 2.34 2.27 1zhyA1 GLU 341 HG3 -0.03 -0.06 -0.07 -0.04 2.34 2.14 1zhyA1 THR 342 H -0.10 0.49 -0.13 -0.55 8.28 7.99 1zhyA1 THR 342 HA -0.08 0.00 0.44 -0.75 4.39 4.00 1zhyA1 THR 342 HB -0.18 0.20 0.22 -0.04 4.32 4.51 1zhyA1 THR 342 HG23 -0.13 -0.03 -0.06 -0.04 1.22 0.96 1zhyA1 GLN 343 H -0.16 0.40 -0.28 -0.55 8.47 7.89 1zhyA1 GLN 343 HA -0.19 0.02 0.45 -0.75 4.36 3.89 1zhyA1 GLN 343 HB2 -0.18 0.18 0.17 -0.04 2.15 2.28 1zhyA1 GLN 343 HB3 -0.24 -0.09 0.05 -0.04 2.02 1.70 1zhyA1 GLN 343 HG2 -0.32 0.23 0.09 -0.04 2.40 2.36 1zhyA1 GLN 343 HG3 -0.24 -0.06 0.03 -0.04 2.39 2.08 1zhyA1 GLN 343 HE21 -0.38 0.03 -0.03 -0.04 6.97 6.55 1zhyA1 GLN 343 HE22 -0.49 0.04 -0.03 -0.04 7.69 7.16 1zhyA1 ARG 344 H -0.09 0.47 -0.16 -0.55 8.46 8.13 1zhyA1 ARG 344 HA -0.06 -0.01 0.44 -0.75 4.34 3.96 1zhyA1 ARG 344 HB2 -0.04 0.12 0.30 -0.04 1.90 2.24 1zhyA1 ARG 344 HB3 -0.03 -0.02 -0.01 -0.04 1.80 1.70 1zhyA1 ARG 344 HG2 -0.02 -0.01 0.04 -0.04 1.67 1.64 1zhyA1 ARG 344 HG3 -0.02 -0.06 0.07 -0.04 1.67 1.62 1zhyA1 ARG 344 HD2 -0.03 -0.07 0.04 -0.04 3.22 3.12 1zhyA1 ARG 344 HD3 -0.02 0.18 0.04 -0.04 3.22 3.38 1zhyA1 GLU 345 H -0.05 0.62 -0.12 -0.55 8.60 8.50 1zhyA1 GLU 345 HA -0.03 -0.02 0.40 -0.75 4.29 3.90 1zhyA1 GLU 345 HB2 -0.04 0.18 0.14 -0.04 2.09 2.32 1zhyA1 GLU 345 HB3 -0.03 -0.06 0.05 -0.04 1.99 1.91 1zhyA1 GLU 345 HG2 -0.04 0.37 0.15 -0.04 2.34 2.77 1zhyA1 GLU 345 HG3 -0.04 -0.05 0.02 -0.04 2.34 2.23 1zhyA1 LEU 346 H -0.06 0.44 -0.28 -0.55 8.37 7.92 1zhyA1 LEU 346 HA -0.00 -0.00 0.43 -0.75 4.35 4.03 1zhyA1 LEU 346 HB2 -0.09 0.16 0.22 -0.04 1.64 1.89 1zhyA1 LEU 346 HB3 -0.08 0.04 0.08 -0.04 1.64 1.63 1zhyA1 LEU 346 HG -0.04 -0.00 0.01 -0.04 1.64 1.56 1zhyA1 LEU 346 HD13 0.14 -0.02 -0.02 -0.04 0.93 0.99 1zhyA1 LEU 346 HD23 0.02 -0.00 0.01 -0.04 0.89 0.87 1zhyA1 ARG 347 H -0.05 0.57 -0.07 -0.55 8.46 8.36 1zhyA1 ARG 347 HA 0.01 -0.01 0.45 -0.75 4.34 4.04 1zhyA1 ARG 347 HB2 -0.04 0.15 0.21 -0.04 1.90 2.18 1zhyA1 ARG 347 HB3 -0.02 -0.05 0.06 -0.04 1.80 1.74 1zhyA1 ARG 347 HG2 -0.10 0.24 0.10 -0.04 1.67 1.88 1zhyA1 ARG 347 HG3 -0.06 -0.04 0.02 -0.04 1.67 1.55 1zhyA1 ARG 347 HD2 -0.06 -0.07 0.02 -0.04 3.22 3.08 1zhyA1 ARG 347 HD3 -0.00 -0.01 0.06 -0.04 3.22 3.23 1zhyA1 LYS 348 H -0.02 0.62 -0.05 -0.55 8.42 8.42 1zhyA1 LYS 348 HA -0.00 0.01 0.46 -0.75 4.32 4.03 1zhyA1 LYS 348 HB2 -0.01 0.09 0.15 -0.04 1.87 2.06 1zhyA1 LYS 348 HB3 -0.01 -0.04 0.03 -0.04 1.79 1.73 1zhyA1 LYS 348 HG2 -0.01 -0.04 0.04 -0.04 1.46 1.40 1zhyA1 LYS 348 HG3 -0.02 0.17 0.06 -0.04 1.46 1.63 1zhyA1 LYS 348 HD2 -0.01 -0.02 -0.00 -0.04 1.69 1.61 1zhyA1 LYS 348 HD3 -0.01 -0.02 -0.02 -0.04 1.68 1.58 1zhyA1 LYS 348 HE2 -0.02 -0.00 -0.22 -0.04 2.99 2.70 1zhyA1 LYS 348 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.94 1zhyA1 GLU 349 H 0.00 0.53 -0.20 -0.55 8.60 8.39 1zhyA1 GLU 349 HA 0.01 0.00 0.43 -0.75 4.29 3.98 1zhyA1 GLU 349 HB2 0.01 0.07 0.14 -0.04 2.09 2.27 1zhyA1 GLU 349 HB3 0.02 0.13 0.16 -0.04 1.99 2.26 1zhyA1 GLU 349 HG2 0.02 -0.02 -0.14 -0.04 2.34 2.17 1zhyA1 GLU 349 HG3 0.01 -0.04 0.04 -0.04 2.34 2.31 1zhyA1 GLU 350 H 0.03 0.51 -0.14 -0.55 8.60 8.46 1zhyA1 GLU 350 HA 0.05 -0.06 0.39 -0.75 4.29 3.92 1zhyA1 GLU 350 HB2 0.06 0.09 0.22 -0.04 2.09 2.42 1zhyA1 GLU 350 HB3 0.08 0.22 0.04 -0.04 1.99 2.29 1zhyA1 GLU 350 HG2 0.13 -0.09 -0.18 -0.04 2.34 2.15 1zhyA1 GLU 350 HG3 0.10 0.11 0.04 -0.04 2.34 2.54 1zhyA1 GLU 351 H 0.02 0.55 -0.08 -0.55 8.60 8.54 1zhyA1 GLU 351 HA 0.02 0.03 0.46 -0.75 4.29 4.05 1zhyA1 GLU 351 HB2 0.01 -0.00 0.14 -0.04 2.09 2.20 1zhyA1 GLU 351 HB3 0.01 0.07 0.18 -0.04 1.99 2.21 1zhyA1 GLU 351 HG2 0.00 -0.04 0.00 -0.04 2.34 2.26 1zhyA1 GLU 351 HG3 0.01 0.01 -0.21 -0.04 2.34 2.11 1zhyA1 ALA 352 H 0.01 0.49 -0.12 -0.55 8.40 8.23 1zhyA1 ALA 352 HA 0.01 0.07 0.59 -0.75 4.34 4.26 1zhyA1 ALA 352 HB3 0.01 -0.01 0.11 -0.04 1.41 1.47 1zhyA1 LYS 353 H 0.02 0.49 -0.14 -0.55 8.42 8.24 1zhyA1 LYS 353 HA 0.01 0.09 0.69 -0.75 4.32 4.36 1zhyA1 LYS 353 HB2 0.01 -0.01 0.09 -0.04 1.87 1.92 1zhyA1 LYS 353 HB3 0.02 0.01 0.04 -0.04 1.79 1.82 1zhyA1 LYS 353 HG2 0.01 -0.00 0.04 -0.04 1.46 1.46 1zhyA1 LYS 353 HG3 0.01 -0.03 0.08 -0.04 1.46 1.48 1zhyA1 LYS 353 HD2 0.01 -0.02 -0.01 -0.04 1.69 1.63 1zhyA1 LYS 353 HD3 0.02 -0.01 -0.06 -0.04 1.68 1.59 1zhyA1 LYS 353 HE2 0.01 0.00 -0.01 -0.04 2.99 2.94 1zhyA1 LYS 353 HE3 0.01 -0.01 0.00 -0.04 2.99 2.94 1zhyA1 GLY 354 H 0.02 0.26 -0.37 -0.55 8.43 7.79 1zhyA1 GLY 354 HA2 0.02 0.02 0.29 -0.51 4.01 3.83 1zhyA1 GLY 354 HA3 0.01 0.00 0.44 -0.51 4.01 3.95 1zhyA1 ILE 355 H 0.03 0.56 0.10 -0.55 8.25 8.39 1zhyA1 ILE 355 HA 0.03 0.16 0.90 -0.75 4.18 4.51 1zhyA1 ILE 355 HB 0.04 -0.03 -0.01 -0.04 1.89 1.85 1zhyA1 ILE 355 HG12 0.02 -0.05 -0.07 -0.04 1.49 1.34 1zhyA1 ILE 355 HG13 0.01 -0.01 0.00 -0.04 1.21 1.17 1zhyA1 ILE 355 HG23 0.05 -0.04 -0.21 -0.04 0.93 0.69 1zhyA1 ILE 355 HD13 0.01 0.02 -0.50 -0.04 0.88 0.38 1zhyA1 SER 356 H 0.04 0.22 0.13 -0.55 8.46 8.31 1zhyA1 SER 356 HA 0.12 0.16 0.89 -0.75 4.49 4.90 1zhyA1 SER 356 HB2 0.11 0.03 0.00 -0.04 3.95 4.05 1zhyA1 SER 356 HB3 0.06 0.04 -0.12 -0.04 3.93 3.87 1zhyA1 TRP 357 H 0.31 0.13 0.09 -0.55 7.97 7.95 1zhyA1 TRP 357 HA 0.02 0.05 0.48 -0.75 4.62 4.42 1zhyA1 TRP 357 HB2 0.03 0.01 0.05 -0.04 3.23 3.28 1zhyA1 TRP 357 HB3 0.05 -0.02 0.08 -0.04 3.23 3.29 1zhyA1 TRP 357 HD1 0.03 -0.05 -0.36 -0.04 7.22 6.79 1zhyA1 TRP 357 HE1 -0.02 -0.10 -0.11 -0.04 10.20 9.93 1zhyA1 TRP 357 HE3 0.01 -0.01 -0.04 -0.04 7.59 7.51 1zhyA1 TRP 357 HZ2 0.01 -0.01 0.04 -0.04 7.44 7.44 1zhyA1 TRP 357 HZ3 0.01 -0.01 -0.02 -0.04 7.13 7.06 1zhyA1 TRP 357 HH2 0.04 -0.03 -0.01 -0.04 7.19 7.15 1zhyA1 GLN 358 H -0.65 0.14 0.18 -0.55 8.47 7.59 1zhyA1 GLN 358 HA -0.07 0.09 0.76 -0.75 4.36 4.38 1zhyA1 GLN 358 HB2 -0.35 -0.04 0.15 -0.04 2.15 1.86 1zhyA1 GLN 358 HB3 -0.15 0.08 0.03 -0.04 2.02 1.94 1zhyA1 GLN 358 HG2 -0.07 0.00 -0.02 -0.04 2.40 2.26 1zhyA1 GLN 358 HG3 -0.15 0.11 0.04 -0.04 2.39 2.36 1zhyA1 GLN 358 HE21 -0.09 -0.02 0.02 -0.04 6.97 6.84 1zhyA1 GLN 358 HE22 -0.12 0.03 0.05 -0.04 7.69 7.62 1zhyA1 ARG 359 H 0.09 0.14 0.17 -0.55 8.46 8.30 1zhyA1 ARG 359 HA 0.12 0.02 0.48 -0.75 4.34 4.20 1zhyA1 ARG 359 HB2 0.31 0.05 0.20 -0.04 1.90 2.42 1zhyA1 ARG 359 HB3 0.25 -0.11 0.06 -0.04 1.80 1.97 1zhyA1 ARG 359 HG2 0.20 -0.03 0.02 -0.04 1.67 1.82 1zhyA1 ARG 359 HG3 0.08 -0.05 0.05 -0.04 1.67 1.72 1zhyA1 ARG 359 HD2 0.38 -0.05 -0.18 -0.04 3.22 3.33 1zhyA1 ARG 359 HD3 0.37 -0.01 0.10 -0.04 3.22 3.64 1zhyA1 ARG 360 H -0.05 0.05 0.15 -0.55 8.46 8.06 1zhyA1 ARG 360 HA -0.19 0.23 0.55 -0.75 4.34 4.18 1zhyA1 ARG 360 HB2 -0.39 0.06 0.12 -0.04 1.90 1.65 1zhyA1 ARG 360 HB3 -1.04 -0.09 0.08 -0.04 1.80 0.71 1zhyA1 ARG 360 HG2 -0.96 0.01 -0.12 -0.04 1.67 0.56 1zhyA1 ARG 360 HG3 -0.34 0.05 0.03 -0.04 1.67 1.37 1zhyA1 ARG 360 HD2 -0.43 0.05 0.01 -0.04 3.22 2.81 1zhyA1 ARG 360 HD3 -1.35 -0.03 -0.02 -0.04 3.22 1.77 1zhyA1 TRP 361 H 0.16 0.00 0.04 -0.55 7.97 7.63 1zhyA1 TRP 361 HA 0.02 0.29 0.90 -0.75 4.62 5.07 1zhyA1 TRP 361 HB2 -0.06 -0.01 -0.09 -0.04 3.23 3.02 1zhyA1 TRP 361 HB3 0.05 -0.04 0.04 -0.04 3.23 3.24 1zhyA1 TRP 361 HD1 0.19 0.14 -0.41 -0.04 7.22 7.09 1zhyA1 TRP 361 HE1 0.32 0.05 -0.05 -0.04 10.20 10.47 1zhyA1 TRP 361 HE3 0.32 -0.02 -0.18 -0.04 7.59 7.68 1zhyA1 TRP 361 HZ2 0.36 -0.02 -0.02 -0.04 7.44 7.71 1zhyA1 TRP 361 HZ3 0.11 0.01 -0.06 -0.04 7.13 7.15 1zhyA1 TRP 361 HH2 0.13 -0.03 -0.05 -0.04 7.19 7.20 1zhyA1 PHE 362 H 0.40 0.09 -0.06 -0.55 8.34 8.22 1zhyA1 PHE 362 HA 0.35 0.32 0.95 -0.75 4.62 5.49 1zhyA1 PHE 362 HB2 0.22 -0.05 -0.09 -0.04 3.15 3.19 1zhyA1 PHE 362 HB3 0.44 0.03 -0.13 -0.04 3.06 3.35 1zhyA1 PHE 362 HD2 0.28 -0.07 -0.35 -0.04 7.28 7.10 1zhyA1 PHE 362 HE2 0.29 0.05 -0.24 -0.04 7.38 7.43 1zhyA1 PHE 362 HZ 0.05 0.06 -0.26 -0.04 7.32 7.13 1zhyA1 LYS 363 H 0.53 0.54 0.28 -0.55 8.42 9.21 1zhyA1 LYS 363 HA 0.40 0.16 0.80 -0.75 4.32 4.93 1zhyA1 LYS 363 HB2 0.31 -0.01 -0.04 -0.04 1.87 2.09 1zhyA1 LYS 363 HB3 0.02 0.03 -0.00 -0.04 1.79 1.80 1zhyA1 LYS 363 HG2 0.20 -0.09 -0.53 -0.04 1.46 1.00 1zhyA1 LYS 363 HG3 0.09 0.01 -0.14 -0.04 1.46 1.38 1zhyA1 LYS 363 HD2 0.08 -0.02 0.00 -0.04 1.69 1.71 1zhyA1 LYS 363 HD3 0.23 0.19 0.08 -0.04 1.68 2.14 1zhyA1 LYS 363 HE2 0.12 -0.03 -0.30 -0.04 2.99 2.74 1zhyA1 LYS 363 HE3 0.06 -0.06 -0.11 -0.04 2.99 2.84 1zhyA1 ASP 364 H -0.25 0.19 0.10 -0.55 8.40 7.89 1zhyA1 ASP 364 HA -0.63 0.16 0.76 -0.75 4.63 4.17 1zhyA1 ASP 364 HB2 -0.96 0.02 -0.15 -0.04 2.71 1.58 1zhyA1 ASP 364 HB3 -2.78 0.00 -0.07 -0.04 2.70 -0.19 1zhyA1 PHE 365 H 0.21 0.63 0.31 -0.55 8.34 8.94 1zhyA1 PHE 365 HA -0.08 0.23 0.68 -0.75 4.62 4.70 1zhyA1 PHE 365 HB2 0.20 0.06 0.12 -0.04 3.15 3.48 1zhyA1 PHE 365 HB3 -0.01 0.02 -0.18 -0.04 3.06 2.85 1zhyA1 PHE 365 HD2 -0.04 0.04 -0.42 -0.04 7.28 6.82 1zhyA1 PHE 365 HE2 0.01 0.04 -0.14 -0.04 7.38 7.25 1zhyA1 PHE 365 HZ 0.00 -0.02 -0.10 -0.04 7.32 7.17 1zhyA1 ASP 366 H -0.05 0.67 0.30 -0.55 8.40 8.77 1zhyA1 ASP 366 HA 0.04 0.06 0.81 -0.75 4.63 4.80 1zhyA1 ASP 366 HB2 -0.07 -0.00 0.12 -0.04 2.71 2.72 1zhyA1 ASP 366 HB3 -0.03 0.12 0.19 -0.04 2.70 2.93 1zhyA1 TYR 367 H 0.32 0.80 0.35 -0.55 8.29 9.20 1zhyA1 TYR 367 HA 0.12 0.13 0.67 -0.75 4.56 4.73 1zhyA1 TYR 367 HB2 0.21 0.23 0.16 -0.04 3.06 3.63 1zhyA1 TYR 367 HB3 0.20 -0.06 0.13 -0.04 2.98 3.21 1zhyA1 TYR 367 HD2 0.23 0.07 -0.07 -0.04 7.15 7.34 1zhyA1 TYR 367 HE2 0.23 -0.08 -0.07 -0.04 6.85 6.89 1zhyA1 SER 368 H 0.10 -0.06 -0.34 -0.55 8.46 7.61 1zhyA1 SER 368 HA 0.09 0.07 0.36 -0.75 4.49 4.26 1zhyA1 SER 368 HB2 0.04 -0.07 -0.01 -0.04 3.95 3.87 1zhyA1 SER 368 HB3 0.03 0.01 -0.26 -0.04 3.93 3.66 1zhyA1 VAL 369 H 0.05 0.10 0.10 -0.55 8.24 7.94 1zhyA1 VAL 369 HA 0.03 0.12 0.39 -0.75 4.13 3.91 1zhyA1 VAL 369 HB 0.02 -0.05 0.06 -0.04 2.12 2.11 1zhyA1 VAL 369 HG13 0.01 0.00 -0.03 -0.04 0.97 0.91 1zhyA1 VAL 369 HG23 0.03 0.00 0.06 -0.04 0.95 1.00 1zhyA1 THR 370 H 0.02 -0.02 -0.36 -0.55 8.28 7.37 1zhyA1 THR 370 HA 0.00 0.24 0.76 -0.75 4.39 4.64 1zhyA1 THR 370 HB 0.01 -0.08 0.11 -0.04 4.32 4.32 1zhyA1 THR 370 HG23 0.00 0.01 -0.06 -0.04 1.22 1.13 1zhyA1 PRO 371 HA -0.01 -0.08 0.43 -0.51 4.44 4.28 1zhyA1 PRO 371 HB2 -0.03 0.07 -0.04 -0.04 2.28 2.24 1zhyA1 PRO 371 HB3 -0.01 0.10 -0.03 -0.04 2.02 2.04 1zhyA1 PRO 371 HG2 -0.02 0.01 -0.13 -0.04 2.03 1.84 1zhyA1 PRO 371 HG3 -0.02 0.06 -0.06 -0.04 2.03 1.97 1zhyA1 PRO 371 HD2 -0.01 0.08 0.02 -0.04 3.68 3.73 1zhyA1 PRO 371 HD3 0.00 0.41 -0.42 -0.04 3.65 3.60 1zhyA1 GLU 372 H -0.03 0.03 0.13 -0.55 8.60 8.18 1zhyA1 GLU 372 HA -0.02 0.07 0.44 -0.75 4.29 4.02 1zhyA1 GLU 372 HB2 -0.05 -0.05 0.14 -0.04 2.09 2.08 1zhyA1 GLU 372 HB3 -0.03 -0.02 0.08 -0.04 1.99 1.97 1zhyA1 GLU 372 HG2 -0.02 0.06 0.06 -0.04 2.34 2.40 1zhyA1 GLU 372 HG3 -0.03 -0.03 0.11 -0.04 2.34 2.34 1zhyA1 GLU 373 H -0.02 0.11 0.17 -0.55 8.60 8.31 1zhyA1 GLU 373 HA -0.03 0.18 0.32 -0.75 4.29 4.00 1zhyA1 GLU 373 HB2 -0.02 -0.05 0.10 -0.04 2.09 2.08 1zhyA1 GLU 373 HB3 -0.02 0.03 0.06 -0.04 1.99 2.01 1zhyA1 GLU 373 HG2 -0.02 0.07 0.04 -0.04 2.34 2.40 1zhyA1 GLU 373 HG3 -0.01 -0.02 0.11 -0.04 2.34 2.37 1zhyA1 GLY 374 H -0.04 -0.03 -0.28 -0.55 8.43 7.53 1zhyA1 GLY 374 HA2 -0.05 0.22 0.76 -0.51 4.01 4.43 1zhyA1 GLY 374 HA3 -0.04 -0.04 0.26 -0.51 4.01 3.67 1zhyA1 ALA 375 H -0.07 0.18 -0.29 -0.55 8.40 7.67 1zhyA1 ALA 375 HA -0.14 0.04 0.49 -0.75 4.34 3.98 1zhyA1 ALA 375 HB3 -0.11 0.02 0.11 -0.04 1.41 1.38 1zhyA1 LEU 376 H -0.32 0.12 0.20 -0.55 8.37 7.82 1zhyA1 LEU 376 HA -0.28 0.12 0.56 -0.75 4.35 3.99 1zhyA1 LEU 376 HB2 -1.26 -0.05 -0.03 -0.04 1.64 0.26 1zhyA1 LEU 376 HB3 -1.11 0.03 -0.02 -0.04 1.64 0.50 1zhyA1 LEU 376 HG -0.46 -0.05 -0.05 -0.04 1.64 1.03 1zhyA1 LEU 376 HD13 -0.19 0.02 -0.03 -0.04 0.93 0.69 1zhyA1 LEU 376 HD23 -0.25 -0.00 0.03 -0.04 0.89 0.63 1zhyA1 VAL 377 H -0.14 0.17 0.16 -0.55 8.24 7.88 1zhyA1 VAL 377 HA -0.04 0.23 0.94 -0.75 4.13 4.50 1zhyA1 VAL 377 HB -0.05 0.10 0.06 -0.04 2.12 2.19 1zhyA1 VAL 377 HG13 -0.06 0.06 -0.16 -0.04 0.97 0.77 1zhyA1 VAL 377 HG23 -0.04 -0.02 -0.04 -0.04 0.95 0.82 1zhyA1 PRO 378 HA 0.01 -0.04 0.47 -0.51 4.44 4.37 1zhyA1 PRO 378 HB2 -0.21 0.07 0.01 -0.04 2.28 2.11 1zhyA1 PRO 378 HB3 -0.77 -0.05 0.05 -0.04 2.02 1.21 1zhyA1 PRO 378 HG2 -0.20 0.06 0.04 -0.04 2.03 1.90 1zhyA1 PRO 378 HG3 -0.74 0.04 0.04 -0.04 2.03 1.33 1zhyA1 PRO 378 HD2 -0.15 0.25 0.21 -0.04 3.68 3.95 1zhyA1 PRO 378 HD3 -0.41 0.08 -0.07 -0.04 3.65 3.21 1zhyA1 GLU 379 H -0.00 0.00 0.15 -0.55 8.60 8.20 1zhyA1 GLU 379 HA 0.01 0.17 0.49 -0.75 4.29 4.20 1zhyA1 GLU 379 HB2 0.00 -0.07 0.01 -0.04 2.09 1.99 1zhyA1 GLU 379 HB3 0.00 -0.08 0.08 -0.04 1.99 1.95 1zhyA1 GLU 379 HG2 0.05 0.03 0.06 -0.04 2.34 2.43 1zhyA1 GLU 379 HG3 0.02 0.01 0.02 -0.04 2.34 2.34 1zhyA1 LYS 380 H -0.00 0.14 0.15 -0.55 8.42 8.15 1zhyA1 LYS 380 HA -0.01 0.16 0.41 -0.75 4.32 4.13 1zhyA1 LYS 380 HB2 -0.01 0.05 0.03 -0.04 1.87 1.91 1zhyA1 LYS 380 HB3 -0.01 0.06 0.13 -0.04 1.79 1.93 1zhyA1 LYS 380 HG2 -0.00 -0.08 0.15 -0.04 1.46 1.48 1zhyA1 LYS 380 HG3 -0.00 0.00 0.00 -0.04 1.46 1.42 1zhyA1 LYS 380 HD2 -0.01 0.03 -0.00 -0.04 1.69 1.67 1zhyA1 LYS 380 HD3 -0.01 0.03 0.04 -0.04 1.68 1.70 1zhyA1 LYS 380 HE2 -0.00 -0.02 0.03 -0.04 2.99 2.96 1zhyA1 LYS 380 HE3 -0.01 -0.00 0.01 -0.04 2.99 2.95 1zhyA1 ASP 381 H -0.00 0.03 -0.17 -0.55 8.40 7.71 1zhyA1 ASP 381 HA -0.00 0.23 0.60 -0.75 4.63 4.71 1zhyA1 ASP 381 HB2 -0.01 0.04 0.13 -0.04 2.71 2.84 1zhyA1 ASP 381 HB3 -0.01 0.01 0.03 -0.04 2.70 2.70 1zhyA1 ASP 382 H 0.01 0.45 -0.79 -0.55 8.40 7.52 1zhyA1 ASP 382 HA 0.03 -0.05 0.33 -0.75 4.63 4.18 1zhyA1 ASP 382 HB2 0.02 0.24 0.07 -0.04 2.71 3.00 1zhyA1 ASP 382 HB3 0.08 0.02 0.04 -0.04 2.70 2.81 1zhyA1 THR 383 H 0.05 0.12 0.19 -0.55 8.28 8.09 1zhyA1 THR 383 HA 0.01 0.17 0.43 -0.75 4.39 4.25 1zhyA1 THR 383 HB 0.07 -0.05 0.11 -0.04 4.32 4.41 1zhyA1 THR 383 HG23 0.02 0.01 -0.14 -0.04 1.22 1.07 1zhyA1 PHE 384 H 0.23 0.09 -0.06 -0.55 8.34 8.05 1zhyA1 PHE 384 HA -0.09 0.09 0.36 -0.75 4.62 4.23 1zhyA1 PHE 384 HB2 -0.04 0.02 0.05 -0.04 3.15 3.14 1zhyA1 PHE 384 HB3 0.06 -0.03 0.03 -0.04 3.06 3.07 1zhyA1 PHE 384 HD2 -0.47 -0.03 -0.09 -0.04 7.28 6.66 1zhyA1 PHE 384 HE2 -0.63 0.05 -0.07 -0.04 7.38 6.70 1zhyA1 PHE 384 HZ -0.42 0.17 -0.07 -0.04 7.32 6.97 1zhyA1 LEU 385 H 0.16 0.05 -0.35 -0.55 8.37 7.69 1zhyA1 LEU 385 HA -0.22 0.08 0.34 -0.75 4.35 3.79 1zhyA1 LEU 385 HB2 0.05 0.12 0.03 -0.04 1.64 1.80 1zhyA1 LEU 385 HB3 0.01 0.04 -0.05 -0.04 1.64 1.60 1zhyA1 LEU 385 HG 0.42 -0.12 -0.01 -0.04 1.64 1.89 1zhyA1 LEU 385 HD13 0.05 0.03 -0.01 -0.04 0.93 0.96 1zhyA1 LEU 385 HD23 0.23 0.02 -0.01 -0.04 0.89 1.08 1zhyA1 LYS 386 H -0.04 0.40 -0.25 -0.55 8.42 7.97 1zhyA1 LYS 386 HA -0.08 0.06 0.44 -0.75 4.32 4.00 1zhyA1 LYS 386 HB2 -0.05 -0.03 0.06 -0.04 1.87 1.81 1zhyA1 LYS 386 HB3 -0.03 0.08 0.05 -0.04 1.79 1.85 1zhyA1 LYS 386 HG2 -0.03 0.11 0.19 -0.04 1.46 1.69 1zhyA1 LYS 386 HG3 -0.06 -0.02 -0.17 -0.04 1.46 1.17 1zhyA1 LYS 386 HD2 -0.04 -0.01 -0.00 -0.04 1.69 1.59 1zhyA1 LYS 386 HD3 -0.03 0.05 -0.05 -0.04 1.68 1.62 1zhyA1 LYS 386 HE2 -0.03 -0.06 0.03 -0.04 2.99 2.88 1zhyA1 LYS 386 HE3 -0.05 -0.05 0.02 -0.04 2.99 2.86 1zhyA1 LEU 387 H -0.12 0.53 -0.13 -0.55 8.37 8.11 1zhyA1 LEU 387 HA -0.11 0.08 0.47 -0.75 4.35 4.03 1zhyA1 LEU 387 HB2 -0.10 0.04 0.07 -0.04 1.64 1.60 1zhyA1 LEU 387 HB3 -0.08 -0.01 -0.04 -0.04 1.64 1.47 1zhyA1 LEU 387 HG -0.05 0.15 -0.00 -0.04 1.64 1.70 1zhyA1 LEU 387 HD13 -0.01 -0.02 -0.23 -0.04 0.93 0.63 1zhyA1 LEU 387 HD23 -0.10 -0.01 -0.26 -0.04 0.89 0.49 1zhyA1 ALA 388 H -0.41 0.73 -0.06 -0.55 8.40 8.11 1zhyA1 ALA 388 HA -0.30 -0.01 0.39 -0.75 4.34 3.66 1zhyA1 ALA 388 HB3 -0.77 0.06 0.01 -0.04 1.41 0.66 1zhyA1 SER 389 H -0.20 0.47 -0.31 -0.55 8.46 7.88 1zhyA1 SER 389 HA -0.12 0.02 0.42 -0.75 4.49 4.06 1zhyA1 SER 389 HB2 -0.09 0.07 0.13 -0.04 3.95 4.01 1zhyA1 SER 389 HB3 -0.09 0.11 0.16 -0.04 3.93 4.06 1zhyA1 ALA 390 H -0.12 0.42 -0.21 -0.55 8.40 7.95 1zhyA1 ALA 390 HA -0.08 -0.00 0.41 -0.75 4.34 3.91 1zhyA1 ALA 390 HB3 -0.08 0.02 0.14 -0.04 1.41 1.44 1zhyA1 LEU 391 H -0.14 0.39 -0.33 -0.55 8.37 7.75 1zhyA1 LEU 391 HA -0.15 0.03 0.61 -0.75 4.35 4.09 1zhyA1 LEU 391 HB2 -0.15 -0.05 0.05 -0.04 1.64 1.45 1zhyA1 LEU 391 HB3 -0.18 0.05 0.09 -0.04 1.64 1.56 1zhyA1 LEU 391 HG -0.35 0.02 -0.18 -0.04 1.64 1.09 1zhyA1 LEU 391 HD13 -0.51 -0.01 0.03 -0.04 0.93 0.40 1zhyA1 LEU 391 HD23 -0.21 -0.02 -0.07 -0.04 0.89 0.55 1zhyA1 ASN 392 H -0.13 0.32 -0.37 -0.55 8.53 7.80 1zhyA1 ASN 392 HA -0.10 0.03 0.32 -0.75 4.76 4.27 1zhyA1 ASN 392 HB2 -0.09 0.00 -0.14 -0.04 2.88 2.61 1zhyA1 ASN 392 HB3 -0.11 0.16 0.29 -0.04 2.79 3.08 1zhyA1 ASN 392 HD21 -0.04 0.03 0.07 -0.04 7.03 7.05 1zhyA1 ASN 392 HD22 -0.06 0.02 0.10 -0.04 7.74 7.75 1zhyA1 LEU 393 H -0.16 0.58 0.03 -0.55 8.37 8.28 1zhyA1 LEU 393 HA -0.10 0.10 0.64 -0.75 4.35 4.24 1zhyA1 LEU 393 HB2 -0.17 -0.04 -0.05 -0.04 1.64 1.34 1zhyA1 LEU 393 HB3 -0.20 -0.11 0.05 -0.04 1.64 1.35 1zhyA1 LEU 393 HG -0.01 0.27 -0.09 -0.04 1.64 1.77 1zhyA1 LEU 393 HD13 -0.01 -0.03 -0.16 -0.04 0.93 0.68 1zhyA1 LEU 393 HD23 -0.02 -0.04 -0.09 -0.04 0.89 0.70 1zhyA1 SER 394 H -0.01 0.60 0.22 -0.55 8.46 8.72 1zhyA1 SER 394 HA 0.01 -0.01 0.39 -0.75 4.49 4.12 1zhyA1 SER 394 HB2 0.03 -0.03 -0.25 -0.04 3.95 3.65 1zhyA1 SER 394 HB3 0.06 0.16 -0.05 -0.04 3.93 4.05 1zhyA1 THR 395 H 0.06 0.10 0.12 -0.55 8.28 8.02 1zhyA1 THR 395 HA 0.25 0.21 0.69 -0.75 4.39 4.79 1zhyA1 THR 395 HB 0.28 -0.03 0.10 -0.04 4.32 4.63 1zhyA1 THR 395 HG23 -0.18 0.02 -0.08 -0.04 1.22 0.94 1zhyA1 LYS 396 H 0.15 -0.05 -0.28 -0.55 8.42 7.68 1zhyA1 LYS 396 HA 0.14 0.12 0.59 -0.75 4.32 4.42 1zhyA1 LYS 396 HB2 0.11 -0.06 -0.07 -0.04 1.87 1.82 1zhyA1 LYS 396 HB3 0.10 0.10 -0.01 -0.04 1.79 1.94 1zhyA1 LYS 396 HG2 0.09 0.01 -0.11 -0.04 1.46 1.41 1zhyA1 LYS 396 HG3 0.09 -0.17 -0.01 -0.04 1.46 1.32 1zhyA1 LYS 396 HD2 0.07 0.05 0.07 -0.04 1.69 1.83 1zhyA1 LYS 396 HD3 0.07 0.05 -0.02 -0.04 1.68 1.73 1zhyA1 LYS 396 HE2 0.04 0.11 0.04 -0.04 2.99 3.14 1zhyA1 LYS 396 HE3 0.05 -0.07 -0.01 -0.04 2.99 2.92 1zhyA1 ASN 397 H 0.11 0.68 0.14 -0.55 8.53 8.92 1zhyA1 ASN 397 HA 0.29 0.13 0.48 -0.75 4.76 4.91 1zhyA1 ASN 397 HB2 0.09 -0.03 0.11 -0.04 2.88 3.02 1zhyA1 ASN 397 HB3 0.16 0.01 0.13 -0.04 2.79 3.04 1zhyA1 ASN 397 HD21 -0.27 0.48 -0.03 -0.04 7.03 7.17 1zhyA1 ASN 397 HD22 0.19 0.03 -0.09 -0.04 7.74 7.84 1zhyA1 ALA 398 H 0.21 0.42 -0.60 -0.55 8.40 7.88 1zhyA1 ALA 398 HA 0.26 0.13 0.59 -0.75 4.34 4.57 1zhyA1 ALA 398 HB3 0.08 -0.01 -0.13 -0.04 1.41 1.31 1zhyA1 PRO 399 HA -1.46 0.11 0.43 -0.51 4.44 3.01 1zhyA1 PRO 399 HB2 -0.19 -0.03 0.02 -0.04 2.28 2.04 1zhyA1 PRO 399 HB3 -0.41 0.07 0.11 -0.04 2.02 1.74 1zhyA1 PRO 399 HG2 -0.08 -0.03 0.06 -0.04 2.03 1.94 1zhyA1 PRO 399 HG3 -0.36 0.07 0.04 -0.04 2.03 1.74 1zhyA1 PRO 399 HD2 -0.03 -0.02 0.14 -0.04 3.68 3.72 1zhyA1 PRO 399 HD3 0.09 0.15 0.17 -0.04 3.65 4.02 1zhyA1 SER 400 H -0.30 0.65 0.41 -0.55 8.46 8.68 1zhyA1 SER 400 HA 0.03 -0.02 0.49 -0.75 4.49 4.23 1zhyA1 SER 400 HB2 -0.01 0.09 0.08 -0.04 3.95 4.08 1zhyA1 SER 400 HB3 0.07 -0.05 0.11 -0.04 3.93 4.01 1zhyA1 GLY 401 H 0.10 0.11 0.21 -0.55 8.43 8.31 1zhyA1 GLY 401 HA2 0.26 -0.06 0.31 -0.51 4.01 4.02 1zhyA1 GLY 401 HA3 0.17 0.18 0.59 -0.51 4.01 4.45 1zhyA1 THR 402 H 0.04 0.48 -0.15 -0.55 8.28 8.10 1zhyA1 THR 402 HA 0.04 -0.03 0.43 -0.75 4.39 4.08 1zhyA1 THR 402 HB 0.04 0.01 -0.00 -0.04 4.32 4.33 1zhyA1 THR 402 HG23 0.03 -0.03 -0.19 -0.04 1.22 0.99 1zhyA1 LEU 403 H 0.03 0.06 0.23 -0.55 8.37 8.13 1zhyA1 LEU 403 HA -0.05 0.13 0.88 -0.75 4.35 4.57 1zhyA1 LEU 403 HB2 -0.01 -0.13 0.08 -0.04 1.64 1.54 1zhyA1 LEU 403 HB3 -0.06 0.19 0.16 -0.04 1.64 1.90 1zhyA1 LEU 403 HG 0.03 0.04 0.06 -0.04 1.64 1.72 1zhyA1 LEU 403 HD13 -0.04 -0.01 0.02 -0.04 0.93 0.86 1zhyA1 LEU 403 HD23 -0.27 0.04 -0.16 -0.04 0.89 0.45 1zhyA1 VAL 404 H -0.04 0.72 0.19 -0.55 8.24 8.55 1zhyA1 VAL 404 HA -0.00 -0.05 0.39 -0.75 4.13 3.72 1zhyA1 VAL 404 HB -0.03 0.07 0.09 -0.04 2.12 2.20 1zhyA1 VAL 404 HG13 -0.01 -0.01 -0.14 -0.04 0.97 0.77 1zhyA1 VAL 404 HG23 -0.03 -0.00 -0.31 -0.04 0.95 0.56 1zhyA1 GLY 405 H 0.01 0.12 0.12 -0.55 8.43 8.14 1zhyA1 GLY 405 HA2 0.01 -0.00 0.31 -0.51 4.01 3.81 1zhyA1 GLY 405 HA3 -0.00 0.20 0.74 -0.51 4.01 4.44 1zhyA1 ASP 406 H 0.01 0.50 -0.27 -0.55 8.40 8.09 1zhyA1 ASP 406 HA 0.01 0.10 0.41 -0.75 4.63 4.40 1zhyA1 ASP 406 HB2 0.02 0.07 0.12 -0.04 2.71 2.88 1zhyA1 ASP 406 HB3 0.02 -0.12 0.11 -0.04 2.70 2.68 1zhyA1 LYS 407 H 0.02 0.17 0.17 -0.55 8.42 8.23 1zhyA1 LYS 407 HA 0.02 0.13 0.34 -0.75 4.32 4.06 1zhyA1 LYS 407 HB2 0.02 0.04 0.15 -0.04 1.87 2.04 1zhyA1 LYS 407 HB3 0.03 -0.04 0.13 -0.04 1.79 1.86 1zhyA1 LYS 407 HG2 0.03 0.02 -0.26 -0.04 1.46 1.21 1zhyA1 LYS 407 HG3 0.02 0.02 0.01 -0.04 1.46 1.48 1zhyA1 LYS 407 HD2 0.03 0.02 -0.03 -0.04 1.69 1.66 1zhyA1 LYS 407 HD3 0.02 0.00 0.01 -0.04 1.68 1.67 1zhyA1 LYS 407 HE2 0.03 -0.03 0.01 -0.04 2.99 2.95 1zhyA1 LYS 407 HE3 0.03 0.01 -0.05 -0.04 2.99 2.95 1zhyA1 GLU 408 H 0.03 0.07 -0.19 -0.55 8.60 7.96 1zhyA1 GLU 408 HA 0.05 0.11 0.37 -0.75 4.29 4.07 1zhyA1 GLU 408 HB2 0.03 -0.02 0.01 -0.04 2.09 2.07 1zhyA1 GLU 408 HB3 0.05 0.05 0.05 -0.04 1.99 2.10 1zhyA1 GLU 408 HG2 0.03 -0.10 0.04 -0.04 2.34 2.27 1zhyA1 GLU 408 HG3 0.01 0.06 0.04 -0.04 2.34 2.41 1zhyA1 ASP 409 H 0.03 0.25 -0.45 -0.55 8.40 7.69 1zhyA1 ASP 409 HA 0.06 0.10 0.51 -0.75 4.63 4.54 1zhyA1 ASP 409 HB2 0.03 0.04 -0.04 -0.04 2.71 2.70 1zhyA1 ASP 409 HB3 0.02 0.05 0.05 -0.04 2.70 2.79 1zhyA1 ARG 410 H 0.03 0.36 -0.30 -0.55 8.46 8.01 1zhyA1 ARG 410 HA 0.03 0.10 0.58 -0.75 4.34 4.29 1zhyA1 ARG 410 HB2 0.02 0.07 0.03 -0.04 1.90 1.98 1zhyA1 ARG 410 HB3 0.02 -0.06 0.11 -0.04 1.80 1.82 1zhyA1 ARG 410 HG2 0.02 -0.05 -0.10 -0.04 1.67 1.50 1zhyA1 ARG 410 HG3 0.02 0.12 -0.22 -0.04 1.67 1.55 1zhyA1 ARG 410 HD2 0.01 -0.01 -0.07 -0.04 3.22 3.11 1zhyA1 ARG 410 HD3 0.01 -0.06 -0.01 -0.04 3.22 3.12 1zhyA1 LYS 411 H 0.04 0.16 -0.69 -0.55 8.42 7.38 1zhyA1 LYS 411 HA 0.04 -0.04 0.42 -0.75 4.32 3.98 1zhyA1 LYS 411 HB2 0.05 0.00 0.07 -0.04 1.87 1.96 1zhyA1 LYS 411 HB3 0.06 0.03 0.01 -0.04 1.79 1.85 1zhyA1 LYS 411 HG2 0.04 0.18 -0.20 -0.04 1.46 1.43 1zhyA1 LYS 411 HG3 0.04 -0.08 0.01 -0.04 1.46 1.39 1zhyA1 LYS 411 HD2 0.07 -0.05 -0.00 -0.04 1.69 1.67 1zhyA1 LYS 411 HD3 0.08 0.01 -0.04 -0.04 1.68 1.68 1zhyA1 LYS 411 HE2 0.04 0.06 -0.05 -0.04 2.99 3.00 1zhyA1 LYS 411 HE3 0.05 -0.04 -0.02 -0.04 2.99 2.93 1zhyA1 GLU 412 H 0.03 0.06 0.15 -0.55 8.60 8.29 1zhyA1 GLU 412 HA 0.03 0.04 0.39 -0.75 4.29 3.99 1zhyA1 GLU 412 HB2 0.02 -0.01 0.06 -0.04 2.09 2.13 1zhyA1 GLU 412 HB3 0.02 -0.03 0.04 -0.04 1.99 1.98 1zhyA1 GLU 412 HG2 0.02 0.03 0.05 -0.04 2.34 2.40 1zhyA1 GLU 412 HG3 0.02 0.02 0.13 -0.04 2.34 2.47 1zhyA1 ASP 413 H 0.02 0.08 0.13 -0.55 8.40 8.09 1zhyA1 ASP 413 HA 0.02 0.00 0.31 -0.75 4.63 4.21 1zhyA1 ASP 413 HB2 0.02 -0.01 0.15 -0.04 2.71 2.82 1zhyA1 ASP 413 HB3 0.02 -0.04 0.05 -0.04 2.70 2.69 1zhyA1 LEU 414 H 0.04 0.16 -0.13 -0.55 8.37 7.90 1zhyA1 LEU 414 HA 0.04 0.12 0.74 -0.75 4.35 4.49 1zhyA1 LEU 414 HB2 0.06 0.10 -0.15 -0.04 1.64 1.61 1zhyA1 LEU 414 HB3 0.06 -0.02 0.03 -0.04 1.64 1.67 1zhyA1 LEU 414 HG 0.09 -0.01 -0.14 -0.04 1.64 1.54 1zhyA1 LEU 414 HD13 0.09 0.03 -0.01 -0.04 0.93 0.99 1zhyA1 LEU 414 HD23 0.11 -0.01 -0.19 -0.04 0.89 0.76 1zhyA1 SER 415 H 0.03 0.15 0.13 -0.55 8.46 8.22 1zhyA1 SER 415 HA 0.02 0.12 0.49 -0.75 4.49 4.37 1zhyA1 SER 415 HB2 -0.02 -0.13 0.12 -0.04 3.95 3.88 1zhyA1 SER 415 HB3 -0.00 0.08 0.08 -0.04 3.93 4.05 1zhyA1 SER 416 H -0.01 0.10 0.02 -0.55 8.46 8.02 1zhyA1 SER 416 HA -0.06 0.18 0.68 -0.75 4.49 4.54 1zhyA1 SER 416 HB2 0.11 -0.18 -0.03 -0.04 3.95 3.81 1zhyA1 SER 416 HB3 0.17 0.22 0.05 -0.04 3.93 4.33 1zhyA1 ILE 417 H -0.20 0.17 -0.04 -0.55 8.25 7.63 1zhyA1 ILE 417 HA -0.14 0.32 0.95 -0.75 4.18 4.55 1zhyA1 ILE 417 HB -0.19 0.01 0.07 -0.04 1.89 1.73 1zhyA1 ILE 417 HG12 -0.11 0.04 -0.10 -0.04 1.49 1.28 1zhyA1 ILE 417 HG13 -0.09 -0.25 -0.09 -0.04 1.21 0.75 1zhyA1 ILE 417 HG23 -0.41 0.01 -0.29 -0.04 0.93 0.20 1zhyA1 ILE 417 HD13 -0.09 0.02 -0.03 -0.04 0.88 0.74 1zhyA1 HIS 418 H -0.04 0.66 0.29 -0.55 8.41 8.78 1zhyA1 HIS 418 HA -0.36 0.14 0.88 -0.75 4.63 4.54 1zhyA1 HIS 418 HB2 -0.08 -0.04 0.01 -0.04 3.26 3.11 1zhyA1 HIS 418 HB3 -0.03 0.03 -0.03 -0.04 3.20 3.12 1zhyA1 HIS 418 HD2 -0.90 -0.04 -0.13 -0.04 6.97 5.86 1zhyA1 HIS 418 HE1 0.18 0.11 -0.32 -0.04 7.75 7.68 1zhyA1 TRP 419 H -0.66 0.15 0.09 -0.55 7.97 7.00 1zhyA1 TRP 419 HA 0.06 0.17 0.63 -0.75 4.62 4.73 1zhyA1 TRP 419 HB2 -0.40 0.00 0.04 -0.04 3.23 2.82 1zhyA1 TRP 419 HB3 -0.02 -0.02 -0.12 -0.04 3.23 3.02 1zhyA1 TRP 419 HD1 -0.87 0.03 -0.09 -0.04 7.22 6.25 1zhyA1 TRP 419 HE1 -0.13 0.07 -0.17 -0.04 10.20 9.93 1zhyA1 TRP 419 HE3 0.16 -0.04 -0.48 -0.04 7.59 7.19 1zhyA1 TRP 419 HZ2 0.01 0.06 -0.10 -0.04 7.44 7.37 1zhyA1 TRP 419 HZ3 0.12 0.05 -0.14 -0.04 7.13 7.12 1zhyA1 TRP 419 HH2 0.07 0.06 0.00 -0.04 7.19 7.29 1zhyA1 ARG 420 H 0.45 0.56 0.35 -0.55 8.46 9.27 1zhyA1 ARG 420 HA 0.23 0.14 0.96 -0.75 4.34 4.92 1zhyA1 ARG 420 HB2 -0.13 0.00 0.06 -0.04 1.90 1.79 1zhyA1 ARG 420 HB3 -0.13 0.04 0.02 -0.04 1.80 1.69 1zhyA1 ARG 420 HG2 0.02 0.08 -0.40 -0.04 1.67 1.32 1zhyA1 ARG 420 HG3 -0.65 -0.04 -0.09 -0.04 1.67 0.84 1zhyA1 ARG 420 HD2 -0.03 -0.06 -0.01 -0.04 3.22 3.08 1zhyA1 ARG 420 HD3 0.07 0.19 -0.04 -0.04 3.22 3.40 1zhyA1 PHE 421 H 0.37 0.13 0.16 -0.55 8.34 8.45 1zhyA1 PHE 421 HA -0.34 0.16 0.57 -0.75 4.62 4.25 1zhyA1 PHE 421 HB2 0.20 0.06 0.08 -0.04 3.15 3.46 1zhyA1 PHE 421 HB3 0.02 -0.03 0.14 -0.04 3.06 3.15 1zhyA1 PHE 421 HD2 -0.57 0.05 -0.06 -0.04 7.28 6.65 1zhyA1 PHE 421 HE2 -0.42 0.00 -0.07 -0.04 7.38 6.85 1zhyA1 PHE 421 HZ -0.40 0.03 -0.05 -0.04 7.32 6.85 1zhyA1 GLN 422 H -0.49 0.72 0.23 -0.55 8.47 8.38 1zhyA1 GLN 422 HA -0.25 0.14 0.83 -0.75 4.36 4.33 1zhyA1 GLN 422 HB2 -0.07 0.06 0.11 -0.04 2.15 2.21 1zhyA1 GLN 422 HB3 -0.07 -0.08 0.05 -0.04 2.02 1.89 1zhyA1 GLN 422 HG2 0.14 0.09 -0.24 -0.04 2.40 2.35 1zhyA1 GLN 422 HG3 0.12 0.02 -0.16 -0.04 2.39 2.34 1zhyA1 GLN 422 HE21 0.30 0.01 -0.06 -0.04 6.97 7.18 1zhyA1 GLN 422 HE22 0.14 0.01 -0.08 -0.04 7.69 7.72 1zhyA1 ARG 423 H -0.63 0.27 -0.03 -0.55 8.46 7.51 1zhyA1 ARG 423 HA -0.93 0.07 0.34 -0.75 4.34 3.07 1zhyA1 ARG 423 HB2 -0.31 0.05 0.06 -0.04 1.90 1.67 1zhyA1 ARG 423 HB3 -0.22 0.01 0.07 -0.04 1.80 1.61 1zhyA1 ARG 423 HG2 -0.12 0.05 -0.04 -0.04 1.67 1.52 1zhyA1 ARG 423 HG3 -0.10 0.01 -0.21 -0.04 1.67 1.33 1zhyA1 ARG 423 HD2 0.03 -0.08 0.11 -0.04 3.22 3.23 1zhyA1 ARG 423 HD3 -0.29 0.02 -0.01 -0.04 3.22 2.90 1zhyA1 GLU 424 H -0.18 0.09 -0.29 -0.55 8.60 7.68 1zhyA1 GLU 424 HA -0.07 0.08 0.37 -0.75 4.29 3.92 1zhyA1 GLU 424 HB2 -0.04 0.04 -0.03 -0.04 2.09 2.01 1zhyA1 GLU 424 HB3 -0.04 0.06 0.02 -0.04 1.99 2.00 1zhyA1 GLU 424 HG2 -0.04 0.07 -0.00 -0.04 2.34 2.33 1zhyA1 GLU 424 HG3 -0.06 0.01 0.01 -0.04 2.34 2.26 1zhyA1 LEU 425 H -0.07 0.31 -0.23 -0.55 8.37 7.84 1zhyA1 LEU 425 HA 0.08 0.07 0.39 -0.75 4.35 4.14 1zhyA1 LEU 425 HB2 0.16 0.09 0.17 -0.04 1.64 2.02 1zhyA1 LEU 425 HB3 0.29 0.21 0.14 -0.04 1.64 2.24 1zhyA1 LEU 425 HG 0.02 -0.14 0.01 -0.04 1.64 1.48 1zhyA1 LEU 425 HD13 0.09 0.04 -0.17 -0.04 0.93 0.85 1zhyA1 LEU 425 HD23 0.04 0.01 -0.04 -0.04 0.89 0.86 1zhyA1 TRP 426 H 0.09 0.23 -0.25 -0.55 7.97 7.50 1zhyA1 TRP 426 HA -0.18 0.07 0.57 -0.75 4.62 4.32 1zhyA1 TRP 426 HB2 -0.31 -0.06 0.04 -0.04 3.23 2.86 1zhyA1 TRP 426 HB3 -0.15 0.10 0.15 -0.04 3.23 3.28 1zhyA1 TRP 426 HD1 -0.03 -0.01 -0.10 -0.04 7.22 7.04 1zhyA1 TRP 426 HE1 0.19 -0.03 -0.07 -0.04 10.20 10.25 1zhyA1 TRP 426 HE3 -1.08 -0.01 0.02 -0.04 7.59 6.47 1zhyA1 TRP 426 HZ2 -0.04 -0.04 -0.07 -0.04 7.44 7.24 1zhyA1 TRP 426 HZ3 -0.17 -0.06 -0.10 -0.04 7.13 6.76 1zhyA1 TRP 426 HH2 -0.08 -0.05 -0.24 -0.04 7.19 6.77 1zhyA1 ASP 427 H -0.02 0.44 -0.02 -0.55 8.40 8.25 1zhyA1 ASP 427 HA -0.31 0.02 0.40 -0.75 4.63 3.98 1zhyA1 ASP 427 HB2 -0.07 0.08 0.17 -0.04 2.71 2.85 1zhyA1 ASP 427 HB3 -0.09 -0.02 0.03 -0.04 2.70 2.57 1zhyA1 GLU 428 H -0.06 0.40 -0.30 -0.55 8.60 8.10 1zhyA1 GLU 428 HA -0.09 0.18 0.75 -0.75 4.29 4.37 1zhyA1 GLU 428 HB2 -0.02 -0.05 0.14 -0.04 2.09 2.11 1zhyA1 GLU 428 HB3 -0.04 -0.06 0.02 -0.04 1.99 1.87 1zhyA1 GLU 428 HG2 -0.00 0.43 0.15 -0.04 2.34 2.87 1zhyA1 GLU 428 HG3 0.03 0.01 -0.06 -0.04 2.34 2.27 1zhyA1 GLU 429 H -0.21 0.36 -0.61 -0.55 8.60 7.60 1zhyA1 GLU 429 HA 0.11 -0.05 0.49 -0.75 4.29 4.08 1zhyA1 GLU 429 HB2 0.21 0.01 0.22 -0.04 2.09 2.49 1zhyA1 GLU 429 HB3 -0.57 0.19 0.18 -0.04 1.99 1.75 1zhyA1 GLU 429 HG2 0.29 0.00 0.04 -0.04 2.34 2.64 1zhyA1 GLU 429 HG3 0.01 0.05 -0.18 -0.04 2.34 2.18 1zhyA1 LYS 430 H 0.04 0.03 0.25 -0.55 8.42 8.18 1zhyA1 LYS 430 HA -0.04 0.34 1.06 -0.75 4.32 4.92 1zhyA1 LYS 430 HB2 0.00 -0.03 0.13 -0.04 1.87 1.93 1zhyA1 LYS 430 HB3 -0.02 0.07 0.02 -0.04 1.79 1.82 1zhyA1 LYS 430 HG2 0.03 -0.10 0.10 -0.04 1.46 1.45 1zhyA1 LYS 430 HG3 0.01 -0.03 0.02 -0.04 1.46 1.42 1zhyA1 LYS 430 HD2 0.01 0.30 0.19 -0.04 1.69 2.15 1zhyA1 LYS 430 HD3 0.01 -0.07 0.07 -0.04 1.68 1.65 1zhyA1 LYS 430 HE2 -0.01 -0.08 0.02 -0.04 2.99 2.89 1zhyA1 LYS 430 HE3 -0.02 -0.01 -0.00 -0.04 2.99 2.93 1zhyA1 GLU 431 H 0.07 -0.09 0.08 -0.55 8.60 8.11 1zhyA1 GLU 431 HA 0.07 0.29 1.04 -0.75 4.29 4.94 1zhyA1 GLU 431 HB2 0.09 -0.07 0.10 -0.04 2.09 2.17 1zhyA1 GLU 431 HB3 0.20 -0.01 -0.01 -0.04 1.99 2.13 1zhyA1 GLU 431 HG2 0.10 0.02 0.01 -0.04 2.34 2.44 1zhyA1 GLU 431 HG3 0.06 0.09 -0.35 -0.04 2.34 2.10 1zhyA1 ILE 432 H 0.16 -0.05 0.11 -0.55 8.25 7.92 1zhyA1 ILE 432 HA 0.16 0.08 0.61 -0.75 4.18 4.28 1zhyA1 ILE 432 HB 0.64 0.00 0.09 -0.04 1.89 2.58 1zhyA1 ILE 432 HG12 0.04 -0.07 0.06 -0.04 1.49 1.47 1zhyA1 ILE 432 HG13 0.33 0.01 0.02 -0.04 1.21 1.53 1zhyA1 ILE 432 HG23 0.48 -0.00 -0.11 -0.04 0.93 1.26 1zhyA1 ILE 432 HD13 -0.23 0.01 0.00 -0.04 0.88 0.62 1zhyA1 VAL 433 H 0.17 0.18 0.23 -0.55 8.24 8.26 1zhyA1 VAL 433 HA 0.15 0.19 0.74 -0.75 4.13 4.45 1zhyA1 VAL 433 HB 0.07 -0.03 0.07 -0.04 2.12 2.18 1zhyA1 VAL 433 HG13 0.03 0.04 -0.28 -0.04 0.97 0.72 1zhyA1 VAL 433 HG23 0.08 0.01 -0.08 -0.04 0.95 0.91 1zhyA1 LEU 434 H 0.13 0.14 0.01 -0.55 8.37 8.11 1zhyA1 LEU 434 HA 0.04 0.21 0.63 -0.75 4.35 4.48 1zhyA1 LEU 434 HB2 0.08 0.02 0.03 -0.04 1.64 1.73 1zhyA1 LEU 434 HB3 -0.01 0.01 -0.04 -0.04 1.64 1.56 1zhyA1 LEU 434 HG 0.37 -0.01 -0.17 -0.04 1.64 1.79 1zhyA1 LEU 434 HD13 0.09 0.01 -0.05 -0.04 0.93 0.93 1zhyA1 LEU 434 HD23 -0.12 0.04 -0.12 -0.04 0.89 0.66