============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TRP 12 1.040 -29.723 -2.309 13.068 -99.200 -91.000 TRP6 12 1.020 -27.511 -2.031 13.849 -99.200 -91.000 TRP 27 1.040 -40.474 -6.744 -0.953 -99.200 -91.000 TRP6 27 1.020 -41.700 -8.489 -1.969 -99.200 -91.000 PHE 31 1.000 -37.532 -14.868 6.178 -99.200 -91.000 TRP 68 1.040 -21.321 -1.035 5.246 -99.200 -91.000 TRP6 68 1.020 -21.810 -2.068 7.316 -99.200 -91.000 HIS 70 0.900 -18.524 -1.005 -3.708 -99.200 -91.000 PHE 95 1.000 -28.528 -10.941 -6.627 -99.200 -91.000 TYR 105 0.840 -11.646 -6.669 1.593 -99.200 -91.000 TYR 110 0.840 -16.764 -10.893 3.756 -99.200 -91.000 TYR 123 0.840 -29.877 14.045 -22.846 -99.200 -91.000 TYR 135 0.840 -13.248 13.560 -23.201 -99.200 -91.000 PHE 139 1.000 -12.116 19.629 -23.587 -99.200 -91.000 TYR 141 0.840 -22.968 20.887 -26.530 -99.200 -91.000 TYR 153 0.840 -20.475 26.875 -16.970 -99.200 -91.000 PHE 157 1.000 -16.629 16.592 -15.476 -99.200 -91.000 PHE 162 1.000 -9.353 9.121 -8.933 -99.200 -91.000 TYR 163 0.840 -18.287 8.855 -7.612 -99.200 -91.000 TYR 164 0.840 -19.044 13.719 -9.294 -99.200 -91.000 TYR 166 0.840 -11.712 4.949 -12.252 -99.200 -91.000 PHE 167 1.000 -15.128 10.767 -18.065 -99.200 -91.000 PHE 169 1.000 -6.969 10.891 -13.278 -99.200 -91.000 PHE 177 1.000 -5.177 1.623 -3.379 -99.200 -91.000 TRP 206 1.040 -13.089 18.317 -18.887 -99.200 -91.000 TRP6 206 1.020 -15.243 18.791 -19.742 -99.200 -91.000 PHE 207 1.000 -11.006 22.635 -13.511 -99.200 -91.000 PHE 225 1.000 -29.226 19.556 -15.783 -99.200 -91.000 TRP 238 1.040 -25.549 11.885 -6.738 -99.200 -91.000 TRP6 238 1.020 -24.147 10.083 -7.358 -99.200 -91.000 TYR 243 0.840 -29.690 17.642 -11.746 -99.200 -91.000 PHE 266 1.000 -13.674 5.049 -8.941 -99.200 -91.000 TRP 272 1.040 -30.614 -6.421 2.262 -99.200 -91.000 TRP6 272 1.020 -31.104 -4.957 4.054 -99.200 -91.000 TYR 273 0.840 -22.728 -5.044 2.954 -99.200 -91.000 TYR 277 0.840 -19.792 -8.818 16.872 -99.200 -91.000 TYR 280 0.840 -30.911 -17.182 15.927 -99.200 -91.000 TYR 283 0.840 -33.785 -20.853 10.399 -99.200 -91.000 PHE 290 1.000 -39.371 -13.449 1.174 -99.200 -91.000 PHE 301 1.000 -36.599 0.777 -11.437 -99.200 -91.000 PHE 328 1.000 -28.367 8.231 -13.873 -99.200 -91.000 TRP 348 1.040 -12.214 8.512 -1.613 -99.200 -91.000 TRP6 348 1.020 -12.900 8.293 -3.866 -99.200 -91.000 HIS 355 0.900 -8.622 15.295 -9.796 -99.200 -91.000 PHE 357 1.000 -2.792 21.631 -4.065 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zyoA1 LYS 13 HA 0.02 -0.14 0.20 -0.75 4.32 3.65 2zyoA1 LYS 13 HB2 0.05 0.03 -0.13 -0.04 1.87 1.78 2zyoA1 LYS 13 HB3 0.03 -0.02 0.02 -0.04 1.79 1.77 2zyoA1 LYS 13 HG2 0.02 -0.02 0.02 -0.04 1.46 1.44 2zyoA1 LYS 13 HG3 0.03 0.02 -0.03 -0.04 1.46 1.44 2zyoA1 LYS 13 HD2 0.04 -0.01 -0.03 -0.04 1.69 1.65 2zyoA1 LYS 13 HD3 0.03 -0.01 -0.02 -0.04 1.68 1.63 2zyoA1 LYS 13 HE2 0.07 0.06 -0.17 -0.04 2.99 2.90 2zyoA1 LYS 13 HE3 0.05 -0.01 -0.05 -0.04 2.99 2.94 2zyoA1 SER 14 H 0.03 -0.03 0.09 -0.55 8.46 8.00 2zyoA1 SER 14 HA 0.03 0.26 0.97 -0.75 4.49 4.99 2zyoA1 SER 14 HB2 0.02 -0.08 0.11 -0.04 3.95 3.97 2zyoA1 SER 14 HB3 0.02 0.01 0.01 -0.04 3.93 3.93 2zyoA1 GLU 15 H 0.07 -0.01 0.12 -0.55 8.60 8.23 2zyoA1 GLU 15 HA 0.10 0.12 0.64 -0.75 4.29 4.40 2zyoA1 GLU 15 HB2 0.10 -0.04 0.14 -0.04 2.09 2.25 2zyoA1 GLU 15 HB3 0.19 -0.04 0.14 -0.04 1.99 2.23 2zyoA1 GLU 15 HG2 0.42 0.24 -0.10 -0.04 2.34 2.86 2zyoA1 GLU 15 HG3 0.18 0.15 0.14 -0.04 2.34 2.76 2zyoA1 GLY 16 H 0.12 0.16 0.22 -0.55 8.43 8.38 2zyoA1 GLY 16 HA2 0.09 0.04 0.44 -0.51 4.01 4.07 2zyoA1 GLY 16 HA3 0.09 0.04 0.28 -0.51 4.01 3.91 2zyoA1 LYS 17 H -0.02 0.09 0.11 -0.55 8.42 8.05 2zyoA1 LYS 17 HA -0.92 0.07 0.45 -0.75 4.32 3.17 2zyoA1 LYS 17 HB2 -0.07 -0.03 0.11 -0.04 1.87 1.84 2zyoA1 LYS 17 HB3 -0.14 -0.04 0.09 -0.04 1.79 1.66 2zyoA1 LYS 17 HG2 -0.35 0.22 -0.18 -0.04 1.46 1.10 2zyoA1 LYS 17 HG3 -0.40 -0.05 0.01 -0.04 1.46 0.97 2zyoA1 LYS 17 HD2 -0.09 -0.06 -0.04 -0.04 1.69 1.46 2zyoA1 LYS 17 HD3 -0.11 0.10 -0.07 -0.04 1.68 1.56 2zyoA1 LYS 17 HE2 0.05 -0.01 0.00 -0.04 2.99 3.00 2zyoA1 LYS 17 HE3 0.03 -0.06 0.01 -0.04 2.99 2.93 2zyoA1 PRO 18 HA -0.65 0.04 0.50 -0.51 4.44 3.82 2zyoA1 PRO 18 HB2 -0.69 0.10 -0.12 -0.04 2.28 1.54 2zyoA1 PRO 18 HB3 -2.37 0.01 0.08 -0.04 2.02 -0.30 2zyoA1 PRO 18 HG2 -0.46 0.03 -0.07 -0.04 2.03 1.49 2zyoA1 PRO 18 HG3 -0.50 -0.06 -0.00 -0.04 2.03 1.43 2zyoA1 PRO 18 HD2 -1.51 0.06 0.18 -0.04 3.68 2.37 2zyoA1 PRO 18 HD3 -0.94 0.20 0.22 -0.04 3.65 3.09 2zyoA1 ASP 19 H -0.21 0.12 0.19 -0.55 8.40 7.96 2zyoA1 ASP 19 HA -0.13 0.15 0.63 -0.75 4.63 4.53 2zyoA1 ASP 19 HB2 -0.06 0.00 0.11 -0.04 2.71 2.73 2zyoA1 ASP 19 HB3 -0.07 0.02 0.15 -0.04 2.70 2.76 2zyoA1 LYS 20 H -0.20 0.13 -0.02 -0.55 8.42 7.77 2zyoA1 LYS 20 HA -0.08 0.35 0.71 -0.75 4.32 4.54 2zyoA1 LYS 20 HB2 -0.03 0.02 -0.05 -0.04 1.87 1.76 2zyoA1 LYS 20 HB3 -0.04 0.01 -0.28 -0.04 1.79 1.43 2zyoA1 LYS 20 HG2 -0.03 -0.07 -0.04 -0.04 1.46 1.27 2zyoA1 LYS 20 HG3 -0.02 -0.01 -0.35 -0.04 1.46 1.03 2zyoA1 LYS 20 HD2 -0.00 -0.00 -0.11 -0.04 1.69 1.54 2zyoA1 LYS 20 HD3 0.01 0.02 -0.09 -0.04 1.68 1.58 2zyoA1 LYS 20 HE2 0.02 -0.01 -0.20 -0.04 2.99 2.75 2zyoA1 LYS 20 HE3 0.01 -0.01 -0.13 -0.04 2.99 2.81 2zyoA1 LEU 21 H -0.06 0.77 0.31 -0.55 8.37 8.85 2zyoA1 LEU 21 HA -0.06 0.12 0.78 -0.75 4.35 4.43 2zyoA1 LEU 21 HB2 -0.11 0.04 0.04 -0.04 1.64 1.57 2zyoA1 LEU 21 HB3 -0.12 -0.04 0.04 -0.04 1.64 1.47 2zyoA1 LEU 21 HG -0.13 0.02 -0.35 -0.04 1.64 1.14 2zyoA1 LEU 21 HD13 -0.05 -0.01 -0.18 -0.04 0.93 0.65 2zyoA1 LEU 21 HD23 -0.04 0.01 0.04 -0.04 0.89 0.85 2zyoA1 VAL 22 H -0.07 0.11 0.21 -0.55 8.24 7.94 2zyoA1 VAL 22 HA -0.01 0.30 1.06 -0.75 4.13 4.72 2zyoA1 VAL 22 HB -0.09 -0.12 0.15 -0.04 2.12 2.02 2zyoA1 VAL 22 HG13 0.08 0.03 -0.16 -0.04 0.97 0.88 2zyoA1 VAL 22 HG23 0.03 0.03 -0.19 -0.04 0.95 0.78 2zyoA1 VAL 23 H 0.03 0.89 0.38 -0.55 8.24 8.99 2zyoA1 VAL 23 HA -0.13 0.21 1.02 -0.75 4.13 4.48 2zyoA1 VAL 23 HB -0.04 0.00 -0.01 -0.04 2.12 2.03 2zyoA1 VAL 23 HG13 -0.23 -0.01 -0.25 -0.04 0.97 0.45 2zyoA1 VAL 23 HG23 -0.33 -0.01 -0.24 -0.04 0.95 0.33 2zyoA1 TRP 24 H 0.21 0.57 0.31 -0.55 7.97 8.51 2zyoA1 TRP 24 HA 0.11 0.28 1.08 -0.75 4.62 5.34 2zyoA1 TRP 24 HB2 0.18 -0.06 0.22 -0.04 3.23 3.54 2zyoA1 TRP 24 HB3 0.14 -0.01 0.01 -0.04 3.23 3.34 2zyoA1 TRP 24 HD1 0.07 0.08 -0.21 -0.04 7.22 7.12 2zyoA1 TRP 24 HE1 0.05 0.10 -0.14 -0.04 10.20 10.17 2zyoA1 TRP 24 HE3 0.20 -0.05 0.00 -0.04 7.59 7.70 2zyoA1 TRP 24 HZ2 0.04 0.21 -0.07 -0.04 7.44 7.59 2zyoA1 TRP 24 HZ3 0.14 0.10 -0.01 -0.04 7.13 7.32 2zyoA1 TRP 24 HH2 0.05 0.05 -0.32 -0.04 7.19 6.93 2zyoA1 GLU 25 H 0.27 0.63 0.26 -0.55 8.60 9.22 2zyoA1 GLU 25 HA 0.24 0.12 0.85 -0.75 4.29 4.74 2zyoA1 GLU 25 HB2 0.42 0.03 -0.24 -0.04 2.09 2.26 2zyoA1 GLU 25 HB3 0.21 0.04 -0.10 -0.04 1.99 2.09 2zyoA1 GLU 25 HG2 0.21 0.09 -0.08 -0.04 2.34 2.51 2zyoA1 GLU 25 HG3 0.12 0.01 -0.24 -0.04 2.34 2.19 2zyoA1 ASN 26 H 0.05 0.11 0.08 -0.55 8.53 8.23 2zyoA1 ASN 26 HA 0.04 -0.00 0.37 -0.75 4.76 4.41 2zyoA1 ASN 26 HB2 -0.00 0.08 0.15 -0.04 2.88 3.06 2zyoA1 ASN 26 HB3 0.02 0.06 0.07 -0.04 2.79 2.90 2zyoA1 ASN 26 HD21 -0.01 0.04 0.01 -0.04 7.03 7.02 2zyoA1 ASN 26 HD22 -0.01 0.11 0.02 -0.04 7.74 7.82 2zyoA1 ALA 27 H 0.00 -0.04 -0.11 -0.55 8.40 7.71 2zyoA1 ALA 27 HA 0.01 0.27 0.53 -0.75 4.34 4.39 2zyoA1 ALA 27 HB3 -0.03 -0.00 -0.17 -0.04 1.41 1.17 2zyoA1 ASP 28 H -0.01 -0.10 -0.03 -0.55 8.40 7.72 2zyoA1 ASP 28 HA -0.01 0.24 0.52 -0.75 4.63 4.62 2zyoA1 ASP 28 HB2 -0.02 0.09 0.06 -0.04 2.71 2.80 2zyoA1 ASP 28 HB3 -0.02 -0.01 0.05 -0.04 2.70 2.68 2zyoA1 ASP 29 H 0.00 0.02 -0.27 -0.55 8.40 7.60 2zyoA1 ASP 29 HA 0.00 0.21 0.88 -0.75 4.63 4.97 2zyoA1 ASP 29 HB2 -0.00 0.02 -0.00 -0.04 2.71 2.68 2zyoA1 ASP 29 HB3 0.01 -0.04 0.09 -0.04 2.70 2.71 2zyoA1 GLY 30 H 0.01 0.25 0.11 -0.55 8.43 8.25 2zyoA1 GLY 30 HA2 0.02 0.15 0.34 -0.51 4.01 4.00 2zyoA1 GLY 30 HA3 0.01 0.12 0.30 -0.51 4.01 3.93 2zyoA1 VAL 31 H 0.01 0.12 -0.04 -0.55 8.24 7.78 2zyoA1 VAL 31 HA 0.03 0.11 0.38 -0.75 4.13 3.90 2zyoA1 VAL 31 HB 0.02 0.09 -0.07 -0.04 2.12 2.12 2zyoA1 VAL 31 HG13 0.01 0.02 0.03 -0.04 0.97 0.99 2zyoA1 VAL 31 HG23 0.01 0.02 -0.04 -0.04 0.95 0.89 2zyoA1 GLN 32 H 0.03 0.04 -0.31 -0.55 8.47 7.68 2zyoA1 GLN 32 HA 0.06 0.12 0.44 -0.75 4.36 4.23 2zyoA1 GLN 32 HB2 0.02 0.04 0.04 -0.04 2.15 2.22 2zyoA1 GLN 32 HB3 0.02 -0.01 -0.04 -0.04 2.02 1.96 2zyoA1 GLN 32 HG2 0.01 0.08 -0.01 -0.04 2.40 2.44 2zyoA1 GLN 32 HG3 0.01 -0.02 -0.00 -0.04 2.39 2.33 2zyoA1 GLN 32 HE21 -0.01 -0.04 -0.02 -0.04 6.97 6.86 2zyoA1 GLN 32 HE22 -0.00 0.05 -0.01 -0.04 7.69 7.69 2zyoA1 LEU 33 H 0.05 0.36 -0.26 -0.55 8.37 7.97 2zyoA1 LEU 33 HA 0.11 -0.00 0.35 -0.75 4.35 4.05 2zyoA1 LEU 33 HB2 0.05 0.26 0.07 -0.04 1.64 1.98 2zyoA1 LEU 33 HB3 0.05 0.08 0.13 -0.04 1.64 1.86 2zyoA1 LEU 33 HG 0.06 -0.04 -0.24 -0.04 1.64 1.38 2zyoA1 LEU 33 HD13 0.09 0.01 -0.20 -0.04 0.93 0.79 2zyoA1 LEU 33 HD23 0.03 0.01 -0.04 -0.04 0.89 0.85 2zyoA1 ASN 34 H 0.05 0.56 -0.05 -0.55 8.53 8.55 2zyoA1 ASN 34 HA 0.05 0.04 0.41 -0.75 4.76 4.50 2zyoA1 ASN 34 HB2 0.03 0.04 0.08 -0.04 2.88 2.98 2zyoA1 ASN 34 HB3 0.02 -0.02 0.03 -0.04 2.79 2.79 2zyoA1 ASN 34 HD21 0.02 -0.05 -0.03 -0.04 7.03 6.92 2zyoA1 ASN 34 HD22 0.02 -0.03 -0.09 -0.04 7.74 7.59 2zyoA1 ASN 35 H 0.10 0.49 -0.28 -0.55 8.53 8.30 2zyoA1 ASN 35 HA 0.13 0.04 0.52 -0.75 4.76 4.70 2zyoA1 ASN 35 HB2 0.13 0.08 0.11 -0.04 2.88 3.16 2zyoA1 ASN 35 HB3 0.17 0.06 0.11 -0.04 2.79 3.09 2zyoA1 ASN 35 HD21 0.47 -0.04 -0.29 -0.04 7.03 7.13 2zyoA1 ASN 35 HD22 0.22 0.01 -0.07 -0.04 7.74 7.87 2zyoA1 THR 36 H 0.19 0.44 -0.19 -0.55 8.28 8.18 2zyoA1 THR 36 HA 0.34 0.04 0.48 -0.75 4.39 4.50 2zyoA1 THR 36 HB 0.24 0.13 0.10 -0.04 4.32 4.75 2zyoA1 THR 36 HG23 0.28 -0.01 -0.15 -0.04 1.22 1.29 2zyoA1 LYS 37 H 0.12 0.53 -0.16 -0.55 8.42 8.36 2zyoA1 LYS 37 HA 0.07 0.01 0.41 -0.75 4.32 4.06 2zyoA1 LYS 37 HB2 0.05 0.08 0.16 -0.04 1.87 2.11 2zyoA1 LYS 37 HB3 0.03 -0.03 0.02 -0.04 1.79 1.77 2zyoA1 LYS 37 HG2 0.06 -0.05 0.03 -0.04 1.46 1.46 2zyoA1 LYS 37 HG3 0.08 0.19 -0.02 -0.04 1.46 1.67 2zyoA1 LYS 37 HD2 0.04 -0.04 -0.07 -0.04 1.69 1.57 2zyoA1 LYS 37 HD3 0.03 -0.01 -0.00 -0.04 1.68 1.66 2zyoA1 LYS 37 HE2 0.05 -0.03 -0.13 -0.04 2.99 2.84 2zyoA1 LYS 37 HE3 0.03 -0.03 -0.04 -0.04 2.99 2.91 2zyoA1 LYS 38 H 0.03 0.49 -0.29 -0.55 8.42 8.10 2zyoA1 LYS 38 HA -0.13 0.01 0.44 -0.75 4.32 3.89 2zyoA1 LYS 38 HB2 -0.14 0.02 0.13 -0.04 1.87 1.85 2zyoA1 LYS 38 HB3 -0.21 0.18 0.22 -0.04 1.79 1.95 2zyoA1 LYS 38 HG2 -0.98 -0.04 -0.28 -0.04 1.46 0.12 2zyoA1 LYS 38 HG3 -0.38 -0.03 0.01 -0.04 1.46 1.02 2zyoA1 LYS 38 HD2 -0.22 -0.01 -0.01 -0.04 1.69 1.41 2zyoA1 LYS 38 HD3 -0.48 0.03 -0.00 -0.04 1.68 1.19 2zyoA1 LYS 38 HE2 -0.22 -0.01 -0.03 -0.04 2.99 2.70 2zyoA1 LYS 38 HE3 -1.44 -0.02 -0.06 -0.04 2.99 1.43 2zyoA1 TRP 39 H 0.19 0.52 -0.05 -0.55 7.97 8.08 2zyoA1 TRP 39 HA 0.21 0.01 0.45 -0.75 4.62 4.54 2zyoA1 TRP 39 HB2 0.13 0.08 0.13 -0.04 3.23 3.53 2zyoA1 TRP 39 HB3 0.19 -0.00 0.01 -0.04 3.23 3.39 2zyoA1 TRP 39 HD1 0.09 0.17 0.04 -0.04 7.22 7.49 2zyoA1 TRP 39 HE1 0.05 -0.04 0.02 -0.04 10.20 10.19 2zyoA1 TRP 39 HE3 0.12 -0.01 0.02 -0.04 7.59 7.68 2zyoA1 TRP 39 HZ2 0.02 0.02 -0.05 -0.04 7.44 7.39 2zyoA1 TRP 39 HZ3 -0.03 -0.00 -0.05 -0.04 7.13 7.00 2zyoA1 TRP 39 HH2 -0.01 -0.02 -0.10 -0.04 7.19 7.02 2zyoA1 ALA 40 H 0.21 0.73 -0.06 -0.55 8.40 8.74 2zyoA1 ALA 40 HA 0.11 -0.00 0.52 -0.75 4.34 4.21 2zyoA1 ALA 40 HB3 0.04 0.01 0.04 -0.04 1.41 1.46 2zyoA1 GLY 41 H 0.06 0.54 -0.29 -0.55 8.43 8.19 2zyoA1 GLY 41 HA2 0.02 -0.02 0.43 -0.51 4.01 3.94 2zyoA1 GLY 41 HA3 -0.01 0.12 0.35 -0.51 4.01 3.96 2zyoA1 GLU 42 H 0.08 0.44 -0.11 -0.55 8.60 8.47 2zyoA1 GLU 42 HA 0.05 0.02 0.49 -0.75 4.29 4.09 2zyoA1 GLU 42 HB2 0.60 0.11 0.14 -0.04 2.09 2.90 2zyoA1 GLU 42 HB3 0.50 -0.05 0.01 -0.04 1.99 2.41 2zyoA1 GLU 42 HG2 -0.26 0.17 0.05 -0.04 2.34 2.25 2zyoA1 GLU 42 HG3 -0.52 -0.05 -0.02 -0.04 2.34 1.72 2zyoA1 PHE 43 H 0.19 0.53 -0.18 -0.55 8.34 8.32 2zyoA1 PHE 43 HA -0.93 -0.00 0.51 -0.75 4.62 3.44 2zyoA1 PHE 43 HB2 -0.52 0.03 0.12 -0.04 3.15 2.73 2zyoA1 PHE 43 HB3 -0.19 0.16 0.16 -0.04 3.06 3.15 2zyoA1 PHE 43 HD2 -0.53 0.06 -0.12 -0.04 7.28 6.65 2zyoA1 PHE 43 HE2 -0.08 0.01 -0.18 -0.04 7.38 7.09 2zyoA1 PHE 43 HZ 0.01 0.00 -0.08 -0.04 7.32 7.22 2zyoA1 THR 44 H 0.05 0.57 -0.10 -0.55 8.28 8.25 2zyoA1 THR 44 HA -0.08 0.10 0.45 -0.75 4.39 4.11 2zyoA1 THR 44 HB -0.00 0.12 0.18 -0.04 4.32 4.57 2zyoA1 THR 44 HG23 -0.03 -0.02 -0.25 -0.04 1.22 0.89 2zyoA1 LYS 45 H -0.05 0.53 -0.15 -0.55 8.42 8.20 2zyoA1 LYS 45 HA -0.05 0.00 0.39 -0.75 4.32 3.91 2zyoA1 LYS 45 HB2 -0.02 0.10 0.15 -0.04 1.87 2.05 2zyoA1 LYS 45 HB3 -0.02 0.10 0.11 -0.04 1.79 1.94 2zyoA1 LYS 45 HG2 -0.02 -0.00 -0.04 -0.04 1.46 1.36 2zyoA1 LYS 45 HG3 -0.03 -0.04 0.05 -0.04 1.46 1.40 2zyoA1 LYS 45 HD2 -0.02 -0.00 -0.01 -0.04 1.69 1.62 2zyoA1 LYS 45 HD3 0.00 -0.01 -0.01 -0.04 1.68 1.62 2zyoA1 LYS 45 HE2 -0.01 -0.00 -0.01 -0.04 2.99 2.92 2zyoA1 LYS 45 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.91 2zyoA1 LYS 46 H -0.18 0.39 -0.32 -0.55 8.42 7.75 2zyoA1 LYS 46 HA -0.09 0.02 0.46 -0.75 4.32 3.96 2zyoA1 LYS 46 HB2 -0.07 -0.02 0.11 -0.04 1.87 1.85 2zyoA1 LYS 46 HB3 -0.42 0.10 0.19 -0.04 1.79 1.62 2zyoA1 LYS 46 HG2 -0.18 0.02 -0.17 -0.04 1.46 1.08 2zyoA1 LYS 46 HG3 -0.04 -0.05 0.05 -0.04 1.46 1.37 2zyoA1 LYS 46 HD2 0.18 -0.04 -0.00 -0.04 1.69 1.78 2zyoA1 LYS 46 HD3 -0.23 0.01 -0.01 -0.04 1.68 1.41 2zyoA1 LYS 46 HE2 -0.05 0.01 -0.04 -0.04 2.99 2.88 2zyoA1 LYS 46 HE3 0.04 -0.02 -0.01 -0.04 2.99 2.95 2zyoA1 THR 47 H -0.35 0.37 -0.08 -0.55 8.28 7.67 2zyoA1 THR 47 HA -0.21 0.17 0.69 -0.75 4.39 4.29 2zyoA1 THR 47 HB -0.28 -0.04 0.04 -0.04 4.32 4.00 2zyoA1 THR 47 HG23 -0.88 -0.00 -0.05 -0.04 1.22 0.24 2zyoA1 GLY 48 H -0.16 0.62 0.06 -0.55 8.43 8.40 2zyoA1 GLY 48 HA2 -0.08 0.04 0.30 -0.51 4.01 3.76 2zyoA1 GLY 48 HA3 -0.08 0.05 0.58 -0.51 4.01 4.05 2zyoA1 ILE 49 H -0.15 0.02 -0.30 -0.55 8.25 7.27 2zyoA1 ILE 49 HA -0.08 0.24 0.68 -0.75 4.18 4.25 2zyoA1 ILE 49 HB 0.06 -0.10 -0.07 -0.04 1.89 1.75 2zyoA1 ILE 49 HG12 -0.18 0.26 -0.10 -0.04 1.49 1.42 2zyoA1 ILE 49 HG13 -0.12 0.04 -0.27 -0.04 1.21 0.82 2zyoA1 ILE 49 HG23 -0.04 0.03 -0.39 -0.04 0.93 0.49 2zyoA1 ILE 49 HD13 0.00 -0.04 -0.07 -0.04 0.88 0.73 2zyoA1 GLN 50 H -0.05 0.53 0.25 -0.55 8.47 8.66 2zyoA1 GLN 50 HA -0.01 0.01 0.47 -0.75 4.36 4.08 2zyoA1 GLN 50 HB2 -0.03 0.05 0.15 -0.04 2.15 2.28 2zyoA1 GLN 50 HB3 -0.03 -0.01 0.21 -0.04 2.02 2.15 2zyoA1 GLN 50 HG2 -0.00 -0.03 -0.28 -0.04 2.40 2.04 2zyoA1 GLN 50 HG3 -0.01 0.01 -0.02 -0.04 2.39 2.32 2zyoA1 GLN 50 HE21 0.01 -0.00 -0.08 -0.04 6.97 6.86 2zyoA1 GLN 50 HE22 0.01 -0.01 -0.14 -0.04 7.69 7.51 2zyoA1 VAL 51 H 0.01 0.20 0.13 -0.55 8.24 8.03 2zyoA1 VAL 51 HA -0.02 0.28 0.91 -0.75 4.13 4.55 2zyoA1 VAL 51 HB 0.02 -0.01 0.08 -0.04 2.12 2.17 2zyoA1 VAL 51 HG13 -0.09 -0.03 -0.23 -0.04 0.97 0.58 2zyoA1 VAL 51 HG23 0.04 0.03 -0.18 -0.04 0.95 0.81 2zyoA1 GLU 52 H -0.00 0.56 0.19 -0.55 8.60 8.81 2zyoA1 GLU 52 HA 0.03 0.11 0.76 -0.75 4.29 4.43 2zyoA1 GLU 52 HB2 0.03 0.01 0.00 -0.04 2.09 2.08 2zyoA1 GLU 52 HB3 0.05 -0.04 0.12 -0.04 1.99 2.08 2zyoA1 GLU 52 HG2 0.08 0.02 -0.35 -0.04 2.34 2.05 2zyoA1 GLU 52 HG3 0.05 0.02 -0.04 -0.04 2.34 2.32 2zyoA1 VAL 53 H 0.06 0.22 0.15 -0.55 8.24 8.12 2zyoA1 VAL 53 HA 0.12 0.27 0.94 -0.75 4.13 4.71 2zyoA1 VAL 53 HB 0.08 -0.02 0.11 -0.04 2.12 2.25 2zyoA1 VAL 53 HG13 0.15 -0.01 -0.23 -0.04 0.97 0.84 2zyoA1 VAL 53 HG23 0.06 0.02 -0.21 -0.04 0.95 0.77 2zyoA1 VAL 54 H 0.27 0.73 0.36 -0.55 8.24 9.05 2zyoA1 VAL 54 HA 0.09 0.19 0.77 -0.75 4.13 4.43 2zyoA1 VAL 54 HB 0.40 -0.07 0.04 -0.04 2.12 2.46 2zyoA1 VAL 54 HG13 -0.06 0.02 -0.14 -0.04 0.97 0.75 2zyoA1 VAL 54 HG23 0.23 0.02 -0.18 -0.04 0.95 0.98 2zyoA1 PRO 55 HA 0.04 0.29 0.58 -0.51 4.44 4.83 2zyoA1 PRO 55 HB2 -0.02 -0.06 0.05 -0.04 2.28 2.21 2zyoA1 PRO 55 HB3 0.02 0.06 0.07 -0.04 2.02 2.13 2zyoA1 PRO 55 HG2 -0.03 -0.00 0.16 -0.04 2.03 2.12 2zyoA1 PRO 55 HG3 -0.00 0.05 0.10 -0.04 2.03 2.14 2zyoA1 PRO 55 HD2 0.01 0.08 0.23 -0.04 3.68 3.96 2zyoA1 PRO 55 HD3 0.03 0.22 0.18 -0.04 3.65 4.04 2zyoA1 VAL 56 H 0.02 0.72 0.19 -0.55 8.24 8.61 2zyoA1 VAL 56 HA -0.15 0.11 0.60 -0.75 4.13 3.93 2zyoA1 VAL 56 HB -0.13 -0.04 -0.06 -0.04 2.12 1.86 2zyoA1 VAL 56 HG13 -0.31 0.02 -0.16 -0.04 0.97 0.48 2zyoA1 VAL 56 HG23 -0.95 0.04 -0.30 -0.04 0.95 -0.29 2zyoA1 ALA 57 H -0.07 0.22 0.07 -0.55 8.40 8.08 2zyoA1 ALA 57 HA -0.00 -0.24 0.50 -0.75 4.34 3.84 2zyoA1 ALA 57 HB3 -0.04 0.04 0.09 -0.04 1.41 1.47 2zyoA1 LEU 58 H 0.02 0.06 0.24 -0.55 8.37 8.14 2zyoA1 LEU 58 HA 0.15 0.29 0.46 -0.75 4.35 4.49 2zyoA1 LEU 58 HB2 0.01 -0.09 0.23 -0.04 1.64 1.75 2zyoA1 LEU 58 HB3 0.07 0.04 0.06 -0.04 1.64 1.77 2zyoA1 LEU 58 HG 0.04 0.04 -0.06 -0.04 1.64 1.63 2zyoA1 LEU 58 HD13 0.00 0.02 0.05 -0.04 0.93 0.97 2zyoA1 LEU 58 HD23 -0.03 -0.00 0.01 -0.04 0.89 0.83 2zyoA1 LEU 59 H -0.01 0.06 -0.12 -0.55 8.37 7.76 2zyoA1 LEU 59 HA -0.05 0.16 0.48 -0.75 4.35 4.19 2zyoA1 LEU 59 HB2 -0.07 -0.01 0.05 -0.04 1.64 1.58 2zyoA1 LEU 59 HB3 -0.09 0.07 0.16 -0.04 1.64 1.74 2zyoA1 LEU 59 HG -0.05 -0.10 0.03 -0.04 1.64 1.48 2zyoA1 LEU 59 HD13 -0.12 0.02 0.02 -0.04 0.93 0.80 2zyoA1 LEU 59 HD23 -0.07 0.02 -0.01 -0.04 0.89 0.78 2zyoA1 LYS 60 H -0.01 0.42 -0.56 -0.55 8.42 7.72 2zyoA1 LYS 60 HA -0.07 0.20 0.89 -0.75 4.32 4.58 2zyoA1 LYS 60 HB2 -0.06 0.03 0.03 -0.04 1.87 1.82 2zyoA1 LYS 60 HB3 -0.09 0.02 0.07 -0.04 1.79 1.76 2zyoA1 LYS 60 HG2 -0.07 0.09 -0.05 -0.04 1.46 1.39 2zyoA1 LYS 60 HG3 -0.06 -0.13 -0.16 -0.04 1.46 1.07 2zyoA1 LYS 60 HD2 -0.07 -0.07 0.01 -0.04 1.69 1.51 2zyoA1 LYS 60 HD3 -0.07 0.06 0.00 -0.04 1.68 1.63 2zyoA1 LYS 60 HE2 -0.05 -0.06 -0.03 -0.04 2.99 2.80 2zyoA1 LYS 60 HE3 -0.06 0.04 -0.01 -0.04 2.99 2.92 2zyoA1 GLN 61 H 0.09 0.40 -0.05 -0.55 8.47 8.36 2zyoA1 GLN 61 HA 0.17 0.04 0.28 -0.75 4.36 4.10 2zyoA1 GLN 61 HB2 0.60 0.20 0.17 -0.04 2.15 3.08 2zyoA1 GLN 61 HB3 0.83 -0.05 -0.02 -0.04 2.02 2.74 2zyoA1 GLN 61 HG2 0.27 -0.08 -0.11 -0.04 2.40 2.44 2zyoA1 GLN 61 HG3 0.23 0.16 -0.20 -0.04 2.39 2.53 2zyoA1 GLN 61 HE21 0.29 0.13 -0.32 -0.04 6.97 7.03 2zyoA1 GLN 61 HE22 0.20 0.27 -0.32 -0.04 7.69 7.80 2zyoA1 GLN 62 H -0.27 0.16 -0.18 -0.55 8.47 7.63 2zyoA1 GLN 62 HA -0.41 0.11 0.36 -0.75 4.36 3.65 2zyoA1 GLN 62 HB2 -1.31 0.01 0.03 -0.04 2.15 0.84 2zyoA1 GLN 62 HB3 -0.49 0.01 -0.03 -0.04 2.02 1.48 2zyoA1 GLN 62 HG2 -0.37 0.04 -0.12 -0.04 2.40 1.91 2zyoA1 GLN 62 HG3 -0.83 0.01 -0.03 -0.04 2.39 1.50 2zyoA1 GLN 62 HE21 -0.26 0.03 -0.04 -0.04 6.97 6.65 2zyoA1 GLN 62 HE22 -0.24 0.05 -0.20 -0.04 7.69 7.26 2zyoA1 GLU 63 H -0.14 0.10 -0.27 -0.55 8.60 7.75 2zyoA1 GLU 63 HA -0.06 0.11 0.43 -0.75 4.29 4.02 2zyoA1 GLU 63 HB2 -0.07 0.06 0.09 -0.04 2.09 2.12 2zyoA1 GLU 63 HB3 -0.05 0.03 -0.02 -0.04 1.99 1.91 2zyoA1 GLU 63 HG2 -0.07 0.04 0.02 -0.04 2.34 2.28 2zyoA1 GLU 63 HG3 -0.12 -0.07 -0.00 -0.04 2.34 2.11 2zyoA1 LYS 64 H 0.01 0.46 -0.16 -0.55 8.42 8.18 2zyoA1 LYS 64 HA 0.01 0.06 0.44 -0.75 4.32 4.07 2zyoA1 LYS 64 HB2 -0.15 0.05 0.08 -0.04 1.87 1.80 2zyoA1 LYS 64 HB3 -0.12 0.04 0.07 -0.04 1.79 1.74 2zyoA1 LYS 64 HG2 -0.14 -0.03 -0.12 -0.04 1.46 1.13 2zyoA1 LYS 64 HG3 -0.15 -0.00 0.04 -0.04 1.46 1.31 2zyoA1 LYS 64 HD2 -0.44 -0.03 -0.03 -0.04 1.69 1.15 2zyoA1 LYS 64 HD3 -1.27 -0.03 -0.07 -0.04 1.68 0.27 2zyoA1 LYS 64 HE2 -0.65 0.03 -0.07 -0.04 2.99 2.26 2zyoA1 LYS 64 HE3 -0.63 0.02 -0.08 -0.04 2.99 2.26 2zyoA1 LEU 65 H 0.36 0.62 -0.14 -0.55 8.37 8.66 2zyoA1 LEU 65 HA 0.39 -0.06 0.49 -0.75 4.35 4.41 2zyoA1 LEU 65 HB2 0.50 0.02 0.10 -0.04 1.64 2.22 2zyoA1 LEU 65 HB3 0.28 0.11 0.08 -0.04 1.64 2.06 2zyoA1 LEU 65 HG 0.19 0.03 -0.02 -0.04 1.64 1.80 2zyoA1 LEU 65 HD13 -0.18 -0.03 0.03 -0.04 0.93 0.71 2zyoA1 LEU 65 HD23 0.29 -0.01 -0.06 -0.04 0.89 1.07 2zyoA1 THR 66 H 0.09 0.38 -0.26 -0.55 8.28 7.94 2zyoA1 THR 66 HA 0.05 0.07 0.43 -0.75 4.39 4.19 2zyoA1 THR 66 HB 0.00 0.11 0.10 -0.04 4.32 4.49 2zyoA1 THR 66 HG23 0.01 -0.01 0.00 -0.04 1.22 1.18 2zyoA1 LEU 67 H 0.05 0.21 -0.40 -0.55 8.37 7.69 2zyoA1 LEU 67 HA -0.02 0.14 0.72 -0.75 4.35 4.44 2zyoA1 LEU 67 HB2 0.00 -0.01 0.06 -0.04 1.64 1.65 2zyoA1 LEU 67 HB3 0.03 0.05 0.16 -0.04 1.64 1.83 2zyoA1 LEU 67 HG 0.00 0.00 -0.20 -0.04 1.64 1.41 2zyoA1 LEU 67 HD13 -0.01 -0.00 0.01 -0.04 0.93 0.89 2zyoA1 LEU 67 HD23 -0.01 -0.02 -0.03 -0.04 0.89 0.80 2zyoA1 ASP 68 H 0.12 0.72 0.16 -0.55 8.40 8.85 2zyoA1 ASP 68 HA 0.04 0.06 0.28 -0.75 4.63 4.25 2zyoA1 ASP 68 HB2 0.43 0.02 -0.01 -0.04 2.71 3.11 2zyoA1 ASP 68 HB3 0.25 -0.02 -0.45 -0.04 2.70 2.44 2zyoA1 GLY 69 H -0.05 0.56 -0.04 -0.55 8.43 8.35 2zyoA1 GLY 69 HA2 -0.17 -0.10 0.39 -0.51 4.01 3.61 2zyoA1 GLY 69 HA3 -0.54 0.18 0.32 -0.51 4.01 3.45 2zyoA1 PRO 70 HA -0.29 0.07 0.48 -0.51 4.44 4.20 2zyoA1 PRO 70 HB2 -0.11 0.06 -0.02 -0.04 2.28 2.16 2zyoA1 PRO 70 HB3 -0.07 -0.02 0.08 -0.04 2.02 1.98 2zyoA1 PRO 70 HG2 -0.12 0.20 0.10 -0.04 2.03 2.17 2zyoA1 PRO 70 HG3 -0.26 0.00 0.06 -0.04 2.03 1.79 2zyoA1 PRO 70 HD2 -0.24 0.13 -0.46 -0.04 3.68 3.07 2zyoA1 PRO 70 HD3 -0.67 0.12 0.06 -0.04 3.65 3.12 2zyoA1 ALA 71 H -0.12 0.24 -0.50 -0.55 8.40 7.47 2zyoA1 ALA 71 HA -0.03 0.07 0.51 -0.75 4.34 4.14 2zyoA1 ALA 71 HB3 -0.01 -0.01 0.09 -0.04 1.41 1.44 2zyoA1 GLY 72 H -0.07 0.43 -0.40 -0.55 8.43 7.84 2zyoA1 GLY 72 HA2 0.01 0.08 0.33 -0.51 4.01 3.91 2zyoA1 GLY 72 HA3 0.01 0.07 0.57 -0.51 4.01 4.15 2zyoA1 LYS 73 H 0.01 0.44 -0.11 -0.55 8.42 8.21 2zyoA1 LYS 73 HA 0.06 0.18 0.71 -0.75 4.32 4.51 2zyoA1 LYS 73 HB2 0.08 -0.03 -0.02 -0.04 1.87 1.86 2zyoA1 LYS 73 HB3 0.10 -0.07 0.08 -0.04 1.79 1.87 2zyoA1 LYS 73 HG2 0.04 -0.00 -0.12 -0.04 1.46 1.33 2zyoA1 LYS 73 HG3 0.03 0.14 -0.35 -0.04 1.46 1.25 2zyoA1 LYS 73 HD2 0.04 -0.03 -0.05 -0.04 1.69 1.60 2zyoA1 LYS 73 HD3 0.04 -0.06 -0.04 -0.04 1.68 1.58 2zyoA1 LYS 73 HE2 0.02 -0.02 -0.04 -0.04 2.99 2.92 2zyoA1 LYS 73 HE3 0.02 0.13 -0.02 -0.04 2.99 3.08 2zyoA1 GLY 74 H 0.01 0.16 -0.29 -0.55 8.43 7.76 2zyoA1 GLY 74 HA2 0.09 -0.01 0.28 -0.51 4.01 3.86 2zyoA1 GLY 74 HA3 -0.09 0.02 0.07 -0.51 4.01 3.50 2zyoA1 ALA 75 H -1.40 0.02 0.02 -0.55 8.40 6.50 2zyoA1 ALA 75 HA -0.39 0.06 0.46 -0.75 4.34 3.72 2zyoA1 ALA 75 HB3 -1.48 0.02 -0.10 -0.04 1.41 -0.20 2zyoA1 ASP 76 H -0.19 0.31 0.33 -0.55 8.40 8.30 2zyoA1 ASP 76 HA -0.08 0.09 0.77 -0.75 4.63 4.66 2zyoA1 ASP 76 HB2 -0.11 0.06 0.26 -0.04 2.71 2.88 2zyoA1 ASP 76 HB3 -0.04 -0.02 0.10 -0.04 2.70 2.70 2zyoA1 LEU 77 H -0.20 0.46 0.33 -0.55 8.37 8.40 2zyoA1 LEU 77 HA -0.07 0.42 1.14 -0.75 4.35 5.09 2zyoA1 LEU 77 HB2 -0.39 -0.08 0.15 -0.04 1.64 1.27 2zyoA1 LEU 77 HB3 -0.27 0.04 0.06 -0.04 1.64 1.44 2zyoA1 LEU 77 HG -0.26 -0.10 -0.11 -0.04 1.64 1.14 2zyoA1 LEU 77 HD13 -0.58 0.01 -0.10 -0.04 0.93 0.22 2zyoA1 LEU 77 HD23 -0.12 0.07 -0.19 -0.04 0.89 0.62 2zyoA1 VAL 78 H 0.03 0.59 0.32 -0.55 8.24 8.63 2zyoA1 VAL 78 HA 0.26 0.16 0.91 -0.75 4.13 4.71 2zyoA1 VAL 78 HB 0.31 -0.07 0.02 -0.04 2.12 2.34 2zyoA1 VAL 78 HG13 -0.07 0.00 -0.24 -0.04 0.97 0.62 2zyoA1 VAL 78 HG23 -0.09 0.02 -0.23 -0.04 0.95 0.60 2zyoA1 THR 79 H 0.18 0.21 0.18 -0.55 8.28 8.30 2zyoA1 THR 79 HA -0.75 0.23 0.86 -0.75 4.39 3.98 2zyoA1 THR 79 HB -0.90 0.08 -0.13 -0.04 4.32 3.33 2zyoA1 THR 79 HG23 -0.20 0.01 0.02 -0.04 1.22 1.01 2zyoA1 TRP 80 H -0.34 0.42 0.22 -0.55 7.97 7.72 2zyoA1 TRP 80 HA -0.01 -0.02 0.34 -0.75 4.62 4.18 2zyoA1 TRP 80 HB2 0.03 -0.01 0.09 -0.04 3.23 3.30 2zyoA1 TRP 80 HB3 0.07 0.21 0.21 -0.04 3.23 3.69 2zyoA1 TRP 80 HD1 0.05 0.33 -0.34 -0.04 7.22 7.22 2zyoA1 TRP 80 HE1 -0.20 0.01 -0.29 -0.04 10.20 9.68 2zyoA1 TRP 80 HE3 0.18 0.11 -0.23 -0.04 7.59 7.61 2zyoA1 TRP 80 HZ2 -0.08 0.03 -0.15 -0.04 7.44 7.20 2zyoA1 TRP 80 HZ3 0.23 0.03 -0.31 -0.04 7.13 7.03 2zyoA1 TRP 80 HH2 0.10 0.08 -0.19 -0.04 7.19 7.15 2zyoA1 PRO 81 HA 0.13 0.18 0.55 -0.51 4.44 4.78 2zyoA1 PRO 81 HB2 0.02 -0.02 0.04 -0.04 2.28 2.27 2zyoA1 PRO 81 HB3 0.00 0.02 0.06 -0.04 2.02 2.06 2zyoA1 PRO 81 HG2 -0.03 0.04 0.04 -0.04 2.03 2.04 2zyoA1 PRO 81 HG3 0.00 0.05 0.03 -0.04 2.03 2.07 2zyoA1 PRO 81 HD2 0.17 0.12 0.14 -0.04 3.68 4.06 2zyoA1 PRO 81 HD3 0.11 0.07 0.12 -0.04 3.65 3.92 2zyoA1 HIS 82 H 0.28 0.37 0.34 -0.55 8.41 8.86 2zyoA1 HIS 82 HA 0.14 0.10 0.24 -0.75 4.63 4.35 2zyoA1 HIS 82 HB2 0.07 0.20 0.11 -0.04 3.26 3.61 2zyoA1 HIS 82 HB3 0.09 0.15 0.22 -0.04 3.20 3.63 2zyoA1 HIS 82 HD2 0.07 0.11 -0.02 -0.04 6.97 7.09 2zyoA1 HIS 82 HE1 0.06 0.21 0.36 -0.04 7.75 8.34 2zyoA1 ASP 83 H -0.29 0.01 -0.35 -0.55 8.40 7.22 2zyoA1 ASP 83 HA -0.33 0.21 0.30 -0.75 4.63 4.05 2zyoA1 ASP 83 HB2 -0.06 0.10 0.07 -0.04 2.71 2.78 2zyoA1 ASP 83 HB3 -0.31 -0.03 0.05 -0.04 2.70 2.37 2zyoA1 ARG 84 H 0.03 0.31 -0.42 -0.55 8.46 7.82 2zyoA1 ARG 84 HA -0.07 0.18 0.82 -0.75 4.34 4.52 2zyoA1 ARG 84 HB2 -0.18 0.07 0.00 -0.04 1.90 1.75 2zyoA1 ARG 84 HB3 -0.21 -0.04 0.13 -0.04 1.80 1.64 2zyoA1 ARG 84 HG2 -0.08 -0.08 -0.17 -0.04 1.67 1.30 2zyoA1 ARG 84 HG3 -0.16 -0.01 -0.03 -0.04 1.67 1.43 2zyoA1 ARG 84 HD2 -0.10 0.00 -0.02 -0.04 3.22 3.06 2zyoA1 ARG 84 HD3 -0.05 0.12 -0.12 -0.04 3.22 3.13 2zyoA1 LEU 85 H -0.01 0.60 -0.19 -0.55 8.37 8.23 2zyoA1 LEU 85 HA 0.00 0.01 0.38 -0.75 4.35 3.99 2zyoA1 LEU 85 HB2 -0.06 0.06 0.16 -0.04 1.64 1.76 2zyoA1 LEU 85 HB3 -0.08 0.05 0.12 -0.04 1.64 1.68 2zyoA1 LEU 85 HG -0.44 -0.07 -0.21 -0.04 1.64 0.87 2zyoA1 LEU 85 HD13 -0.51 -0.02 -0.05 -0.04 0.93 0.30 2zyoA1 LEU 85 HD23 0.03 0.04 -0.15 -0.04 0.89 0.77 2zyoA1 GLY 86 H -0.21 0.48 -0.06 -0.55 8.43 8.10 2zyoA1 GLY 86 HA2 -1.34 0.02 0.35 -0.51 4.01 2.53 2zyoA1 GLY 86 HA3 -0.30 0.12 0.37 -0.51 4.01 3.69 2zyoA1 GLU 87 H -0.16 0.17 -0.24 -0.55 8.60 7.83 2zyoA1 GLU 87 HA -0.11 0.03 0.45 -0.75 4.29 3.91 2zyoA1 GLU 87 HB2 -0.15 0.15 0.09 -0.04 2.09 2.14 2zyoA1 GLU 87 HB3 -0.12 0.02 -0.02 -0.04 1.99 1.83 2zyoA1 GLU 87 HG2 -0.07 0.02 0.05 -0.04 2.34 2.30 2zyoA1 GLU 87 HG3 -0.08 -0.09 0.06 -0.04 2.34 2.19 2zyoA1 ALA 88 H -0.15 0.34 -0.27 -0.55 8.40 7.78 2zyoA1 ALA 88 HA -0.06 0.04 0.37 -0.75 4.34 3.94 2zyoA1 ALA 88 HB3 0.11 0.02 0.03 -0.04 1.41 1.53 2zyoA1 VAL 89 H -0.33 0.58 -0.06 -0.55 8.24 7.89 2zyoA1 VAL 89 HA -0.23 0.05 0.45 -0.75 4.13 3.64 2zyoA1 VAL 89 HB -0.64 0.00 0.11 -0.04 2.12 1.55 2zyoA1 VAL 89 HG13 -0.11 0.01 -0.16 -0.04 0.97 0.67 2zyoA1 VAL 89 HG23 -1.03 0.03 -0.07 -0.04 0.95 -0.16 2zyoA1 THR 90 H -0.18 0.54 -0.01 -0.55 8.28 8.08 2zyoA1 THR 90 HA -0.02 0.06 0.41 -0.75 4.39 4.09 2zyoA1 THR 90 HB -0.02 0.01 0.08 -0.04 4.32 4.35 2zyoA1 THR 90 HG23 0.01 -0.01 0.08 -0.04 1.22 1.26 2zyoA1 LYS 91 H -0.06 0.28 -0.36 -0.55 8.42 7.72 2zyoA1 LYS 91 HA -0.01 0.12 0.65 -0.75 4.32 4.32 2zyoA1 LYS 91 HB2 -0.03 0.03 0.09 -0.04 1.87 1.92 2zyoA1 LYS 91 HB3 -0.00 -0.03 0.13 -0.04 1.79 1.84 2zyoA1 LYS 91 HG2 -0.04 -0.05 0.01 -0.04 1.46 1.34 2zyoA1 LYS 91 HG3 -0.05 -0.08 0.03 -0.04 1.46 1.32 2zyoA1 LYS 91 HD2 -0.02 -0.02 0.03 -0.04 1.69 1.64 2zyoA1 LYS 91 HD3 -0.01 0.07 0.02 -0.04 1.68 1.72 2zyoA1 LYS 91 HE2 -0.02 0.01 0.01 -0.04 2.99 2.95 2zyoA1 LYS 91 HE3 -0.03 -0.04 -0.01 -0.04 2.99 2.88 2zyoA1 GLY 92 H -0.03 0.31 -0.45 -0.55 8.43 7.72 2zyoA1 GLY 92 HA2 -0.02 0.12 0.33 -0.51 4.01 3.93 2zyoA1 GLY 92 HA3 -0.02 0.04 0.35 -0.51 4.01 3.87 2zyoA1 LEU 93 H 0.02 0.51 0.02 -0.55 8.37 8.38 2zyoA1 LEU 93 HA 0.19 0.12 0.58 -0.75 4.35 4.48 2zyoA1 LEU 93 HB2 0.10 0.10 0.13 -0.04 1.64 1.92 2zyoA1 LEU 93 HB3 0.24 -0.11 -0.09 -0.04 1.64 1.64 2zyoA1 LEU 93 HG 0.09 0.09 -0.08 -0.04 1.64 1.69 2zyoA1 LEU 93 HD13 0.02 -0.03 -0.02 -0.04 0.93 0.86 2zyoA1 LEU 93 HD23 0.24 -0.02 -0.13 -0.04 0.89 0.93 2zyoA1 LEU 94 H 0.03 0.22 -0.07 -0.55 8.37 8.00 2zyoA1 LEU 94 HA 0.09 0.15 0.96 -0.75 4.35 4.80 2zyoA1 LEU 94 HB2 -0.03 -0.04 -0.12 -0.04 1.64 1.41 2zyoA1 LEU 94 HB3 0.16 0.15 -0.01 -0.04 1.64 1.90 2zyoA1 LEU 94 HG 0.19 -0.12 -0.32 -0.04 1.64 1.35 2zyoA1 LEU 94 HD13 -0.15 -0.00 -0.13 -0.04 0.93 0.60 2zyoA1 LEU 94 HD23 0.17 0.01 -0.34 -0.04 0.89 0.68 2zyoA1 GLN 95 H 0.09 0.61 0.16 -0.55 8.47 8.79 2zyoA1 GLN 95 HA 0.13 0.17 0.84 -0.75 4.36 4.75 2zyoA1 GLN 95 HB2 -0.00 0.02 0.09 -0.04 2.15 2.21 2zyoA1 GLN 95 HB3 -0.01 -0.01 0.00 -0.04 2.02 1.96 2zyoA1 GLN 95 HG2 0.01 0.06 -0.34 -0.04 2.40 2.09 2zyoA1 GLN 95 HG3 0.01 0.02 -0.18 -0.04 2.39 2.20 2zyoA1 GLN 95 HE21 -0.03 0.04 -0.02 -0.04 6.97 6.92 2zyoA1 GLN 95 HE22 -0.02 0.39 0.07 -0.04 7.69 8.09 2zyoA1 PRO 96 HA -0.62 0.12 0.48 -0.51 4.44 3.92 2zyoA1 PRO 96 HB2 -0.18 -0.03 -0.05 -0.04 2.28 1.98 2zyoA1 PRO 96 HB3 -0.43 -0.00 0.11 -0.04 2.02 1.66 2zyoA1 PRO 96 HG2 -0.10 0.01 0.05 -0.04 2.03 1.95 2zyoA1 PRO 96 HG3 -0.28 0.04 0.02 -0.04 2.03 1.77 2zyoA1 PRO 96 HD2 -0.04 0.07 0.17 -0.04 3.68 3.84 2zyoA1 PRO 96 HD3 0.06 0.16 0.20 -0.04 3.65 4.03 2zyoA1 ILE 97 H -0.17 0.47 0.30 -0.55 8.25 8.31 2zyoA1 ILE 97 HA -0.04 0.17 0.86 -0.75 4.18 4.42 2zyoA1 ILE 97 HB -0.01 -0.05 -0.10 -0.04 1.89 1.68 2zyoA1 ILE 97 HG12 -0.02 -0.00 -0.32 -0.04 1.49 1.10 2zyoA1 ILE 97 HG13 -0.04 -0.05 -0.16 -0.04 1.21 0.92 2zyoA1 ILE 97 HG23 0.01 0.03 -0.12 -0.04 0.93 0.80 2zyoA1 ILE 97 HD13 0.01 0.01 -0.27 -0.04 0.88 0.59 2zyoA1 GLN 98 H -0.03 0.19 0.01 -0.55 8.47 8.10 2zyoA1 GLN 98 HA -0.03 0.18 0.90 -0.75 4.36 4.66 2zyoA1 GLN 98 HB2 -0.02 -0.02 0.13 -0.04 2.15 2.20 2zyoA1 GLN 98 HB3 -0.02 -0.02 0.01 -0.04 2.02 1.96 2zyoA1 GLN 98 HG2 -0.04 0.06 -0.11 -0.04 2.40 2.26 2zyoA1 GLN 98 HG3 -0.04 0.04 -0.32 -0.04 2.39 2.03 2zyoA1 GLN 98 HE21 -0.02 -0.01 -0.03 -0.04 6.97 6.87 2zyoA1 GLN 98 HE22 -0.02 0.00 -0.03 -0.04 7.69 7.60 2zyoA1 VAL 99 H -0.01 0.32 0.03 -0.55 8.24 8.03 2zyoA1 VAL 99 HA 0.00 0.16 0.74 -0.75 4.13 4.28 2zyoA1 VAL 99 HB 0.03 -0.07 0.05 -0.04 2.12 2.10 2zyoA1 VAL 99 HG13 0.02 0.01 -0.23 -0.04 0.97 0.72 2zyoA1 VAL 99 HG23 0.03 0.02 -0.18 -0.04 0.95 0.78 2zyoA1 ASP 100 H 0.01 0.12 0.12 -0.55 8.40 8.10 2zyoA1 ASP 100 HA 0.00 0.18 0.50 -0.75 4.63 4.56 2zyoA1 ASP 100 HB2 0.01 -0.07 0.09 -0.04 2.71 2.70 2zyoA1 ASP 100 HB3 0.00 -0.04 0.15 -0.04 2.70 2.77 2zyoA1 ASN 101 H 0.01 0.21 0.18 -0.55 8.53 8.38 2zyoA1 ASN 101 HA 0.02 0.13 0.46 -0.75 4.76 4.62 2zyoA1 ASN 101 HB2 0.01 0.06 0.15 -0.04 2.88 3.06 2zyoA1 ASN 101 HB3 0.00 -0.00 0.08 -0.04 2.79 2.83 2zyoA1 ASN 101 HD21 0.02 0.04 0.01 -0.04 7.03 7.06 2zyoA1 ASN 101 HD22 0.02 0.02 0.06 -0.04 7.74 7.79 2zyoA1 SER 102 H 0.00 0.06 -0.23 -0.55 8.46 7.74 2zyoA1 SER 102 HA -0.01 0.12 0.37 -0.75 4.49 4.21 2zyoA1 SER 102 HB2 -0.02 0.07 0.01 -0.04 3.95 3.97 2zyoA1 SER 102 HB3 -0.01 0.01 0.06 -0.04 3.93 3.95 2zyoA1 VAL 103 H 0.02 0.17 -0.38 -0.55 8.24 7.50 2zyoA1 VAL 103 HA 0.00 0.09 0.50 -0.75 4.13 3.96 2zyoA1 VAL 103 HB 0.06 0.14 0.03 -0.04 2.12 2.31 2zyoA1 VAL 103 HG13 0.13 0.02 -0.12 -0.04 0.97 0.96 2zyoA1 VAL 103 HG23 0.02 -0.03 0.02 -0.04 0.95 0.92 2zyoA1 LYS 104 H 0.06 0.30 -0.11 -0.55 8.42 8.13 2zyoA1 LYS 104 HA 0.23 0.06 0.43 -0.75 4.32 4.28 2zyoA1 LYS 104 HB2 0.05 0.07 0.16 -0.04 1.87 2.11 2zyoA1 LYS 104 HB3 0.08 -0.00 -0.02 -0.04 1.79 1.81 2zyoA1 LYS 104 HG2 0.06 0.02 0.00 -0.04 1.46 1.51 2zyoA1 LYS 104 HG3 0.05 0.03 -0.05 -0.04 1.46 1.45 2zyoA1 LYS 104 HD2 0.02 0.01 -0.04 -0.04 1.69 1.64 2zyoA1 LYS 104 HD3 0.03 -0.05 -0.02 -0.04 1.68 1.60 2zyoA1 LYS 104 HE2 0.05 0.00 -0.05 -0.04 2.99 2.95 2zyoA1 LYS 104 HE3 0.03 0.03 -0.05 -0.04 2.99 2.96 2zyoA1 ASN 105 H 0.02 0.46 -0.29 -0.55 8.53 8.18 2zyoA1 ASN 105 HA 0.02 0.11 0.36 -0.75 4.76 4.49 2zyoA1 ASN 105 HB2 -0.01 0.03 0.08 -0.04 2.88 2.93 2zyoA1 ASN 105 HB3 -0.02 -0.05 0.09 -0.04 2.79 2.77 2zyoA1 ASN 105 HD21 0.00 -0.05 -0.06 -0.04 7.03 6.88 2zyoA1 ASN 105 HD22 -0.00 -0.05 -0.09 -0.04 7.74 7.55 2zyoA1 GLN 106 H -0.12 0.38 -0.63 -0.55 8.47 7.55 2zyoA1 GLN 106 HA -0.25 -0.02 0.63 -0.75 4.36 3.96 2zyoA1 GLN 106 HB2 -1.06 0.22 0.09 -0.04 2.15 1.36 2zyoA1 GLN 106 HB3 -0.77 -0.14 0.11 -0.04 2.02 1.17 2zyoA1 GLN 106 HG2 -0.22 -0.12 0.08 -0.04 2.40 2.10 2zyoA1 GLN 106 HG3 -0.17 0.18 0.16 -0.04 2.39 2.53 2zyoA1 GLN 106 HE21 -0.03 -0.03 0.01 -0.04 6.97 6.88 2zyoA1 GLN 106 HE22 -0.06 -0.02 -0.03 -0.04 7.69 7.54 2zyoA1 PHE 107 H 0.01 0.57 -0.15 -0.55 8.34 8.21 2zyoA1 PHE 107 HA -0.02 -0.02 0.99 -0.75 4.62 4.82 2zyoA1 PHE 107 HB2 -0.01 0.08 0.08 -0.04 3.15 3.26 2zyoA1 PHE 107 HB3 -0.01 0.06 0.12 -0.04 3.06 3.18 2zyoA1 PHE 107 HD2 -0.02 0.06 -0.04 -0.04 7.28 7.25 2zyoA1 PHE 107 HE2 -0.02 0.03 -0.03 -0.04 7.38 7.32 2zyoA1 PHE 107 HZ -0.02 0.05 -0.01 -0.04 7.32 7.30 2zyoA1 ASP 108 H 0.14 0.56 0.12 -0.55 8.40 8.67 2zyoA1 ASP 108 HA 0.04 0.03 0.41 -0.75 4.63 4.36 2zyoA1 ASP 108 HB2 0.05 0.06 -0.02 -0.04 2.71 2.75 2zyoA1 ASP 108 HB3 0.06 -0.04 0.10 -0.04 2.70 2.78 2zyoA1 ASP 109 H 0.03 0.17 0.19 -0.55 8.40 8.25 2zyoA1 ASP 109 HA 0.05 0.15 0.34 -0.75 4.63 4.41 2zyoA1 ASP 109 HB2 0.03 -0.01 0.14 -0.04 2.71 2.83 2zyoA1 ASP 109 HB3 0.03 0.02 0.01 -0.04 2.70 2.72 2zyoA1 VAL 110 H 0.03 0.11 -0.13 -0.55 8.24 7.70 2zyoA1 VAL 110 HA 0.03 0.10 0.47 -0.75 4.13 3.97 2zyoA1 VAL 110 HB 0.03 0.00 -0.00 -0.04 2.12 2.11 2zyoA1 VAL 110 HG13 0.04 0.07 -0.07 -0.04 0.97 0.97 2zyoA1 VAL 110 HG23 0.03 0.03 0.02 -0.04 0.95 0.99 2zyoA1 ALA 111 H 0.02 0.09 -0.30 -0.55 8.40 7.67 2zyoA1 ALA 111 HA -0.05 0.03 0.40 -0.75 4.34 3.97 2zyoA1 ALA 111 HB3 0.00 0.05 0.02 -0.04 1.41 1.43 2zyoA1 MET 112 H 0.03 0.44 -0.32 -0.55 8.47 8.07 2zyoA1 MET 112 HA -0.01 0.06 0.44 -0.75 4.52 4.25 2zyoA1 MET 112 HB2 0.04 0.12 0.06 -0.04 2.15 2.33 2zyoA1 MET 112 HB3 0.04 -0.06 -0.02 -0.04 2.03 1.95 2zyoA1 MET 112 HG2 0.11 0.18 -0.14 -0.04 2.63 2.74 2zyoA1 MET 112 HG3 0.12 0.06 -0.01 -0.04 2.56 2.69 2zyoA1 MET 112 HE3 0.02 0.02 0.06 -0.04 2.10 2.16 2zyoA1 LYS 113 H 0.02 0.35 -0.22 -0.55 8.42 8.02 2zyoA1 LYS 113 HA 0.03 0.01 0.47 -0.75 4.32 4.09 2zyoA1 LYS 113 HB2 0.02 0.17 0.18 -0.04 1.87 2.20 2zyoA1 LYS 113 HB3 0.04 -0.04 0.04 -0.04 1.79 1.78 2zyoA1 LYS 113 HG2 0.03 -0.06 0.03 -0.04 1.46 1.42 2zyoA1 LYS 113 HG3 0.03 0.26 0.10 -0.04 1.46 1.81 2zyoA1 LYS 113 HD2 0.04 0.01 0.02 -0.04 1.69 1.72 2zyoA1 LYS 113 HD3 0.04 -0.05 -0.00 -0.04 1.68 1.62 2zyoA1 LYS 113 HE2 0.03 -0.01 -0.13 -0.04 2.99 2.85 2zyoA1 LYS 113 HE3 0.03 -0.01 -0.04 -0.04 2.99 2.93 2zyoA1 ALA 114 H -0.05 0.33 -0.35 -0.55 8.40 7.78 2zyoA1 ALA 114 HA -0.05 0.05 0.42 -0.75 4.34 4.00 2zyoA1 ALA 114 HB3 -0.56 0.02 0.10 -0.04 1.41 0.93 2zyoA1 LEU 115 H 0.01 0.32 -0.53 -0.55 8.37 7.63 2zyoA1 LEU 115 HA 0.11 0.12 0.70 -0.75 4.35 4.52 2zyoA1 LEU 115 HB2 0.04 0.14 0.04 -0.04 1.64 1.82 2zyoA1 LEU 115 HB3 0.13 -0.14 0.06 -0.04 1.64 1.64 2zyoA1 LEU 115 HG -0.02 0.18 -0.13 -0.04 1.64 1.63 2zyoA1 LEU 115 HD13 -0.04 -0.02 -0.44 -0.04 0.93 0.39 2zyoA1 LEU 115 HD23 0.19 -0.01 -0.29 -0.04 0.89 0.74 2zyoA1 THR 116 H 0.09 0.38 -0.31 -0.55 8.28 7.90 2zyoA1 THR 116 HA 0.18 0.18 0.97 -0.75 4.39 4.96 2zyoA1 THR 116 HB 0.07 0.08 0.14 -0.04 4.32 4.57 2zyoA1 THR 116 HG23 0.06 -0.04 -0.21 -0.04 1.22 0.98 2zyoA1 TYR 117 H 0.33 0.78 0.28 -0.55 8.29 9.13 2zyoA1 TYR 117 HA 0.06 0.06 0.70 -0.75 4.56 4.63 2zyoA1 TYR 117 HB2 -0.00 0.07 -0.35 -0.04 3.06 2.73 2zyoA1 TYR 117 HB3 -0.03 0.04 -0.04 -0.04 2.98 2.91 2zyoA1 TYR 117 HD2 -0.02 0.10 -0.13 -0.04 7.15 7.05 2zyoA1 TYR 117 HE2 -0.05 -0.04 -0.14 -0.04 6.85 6.58 2zyoA1 GLY 118 H -0.38 0.17 0.11 -0.55 8.43 7.78 2zyoA1 GLY 118 HA2 -0.12 0.03 0.32 -0.51 4.01 3.72 2zyoA1 GLY 118 HA3 0.01 0.10 0.39 -0.51 4.01 4.00 2zyoA1 GLY 119 H 0.00 0.04 -0.25 -0.55 8.43 7.67 2zyoA1 GLY 119 HA2 0.01 -0.02 0.23 -0.51 4.01 3.72 2zyoA1 GLY 119 HA3 0.01 0.10 0.43 -0.51 4.01 4.03 2zyoA1 LYS 120 H 0.11 0.26 -0.31 -0.55 8.42 7.93 2zyoA1 LYS 120 HA -0.05 0.13 0.83 -0.75 4.32 4.49 2zyoA1 LYS 120 HB2 0.06 0.10 -0.01 -0.04 1.87 1.98 2zyoA1 LYS 120 HB3 -0.28 0.01 0.04 -0.04 1.79 1.51 2zyoA1 LYS 120 HG2 -0.03 0.02 -0.03 -0.04 1.46 1.37 2zyoA1 LYS 120 HG3 0.04 0.07 -0.42 -0.04 1.46 1.11 2zyoA1 LYS 120 HD2 0.10 0.02 -0.03 -0.04 1.69 1.73 2zyoA1 LYS 120 HD3 -0.05 -0.02 -0.00 -0.04 1.68 1.57 2zyoA1 LYS 120 HE2 -0.00 -0.03 -0.00 -0.04 2.99 2.91 2zyoA1 LYS 120 HE3 0.03 0.03 -0.01 -0.04 2.99 3.00 2zyoA1 LEU 121 H -0.14 0.20 0.20 -0.55 8.37 8.09 2zyoA1 LEU 121 HA 0.03 0.17 0.89 -0.75 4.35 4.69 2zyoA1 LEU 121 HB2 -0.01 -0.03 0.06 -0.04 1.64 1.62 2zyoA1 LEU 121 HB3 -0.06 0.08 0.19 -0.04 1.64 1.80 2zyoA1 LEU 121 HG -0.00 -0.09 -0.12 -0.04 1.64 1.39 2zyoA1 LEU 121 HD13 0.03 0.06 -0.01 -0.04 0.93 0.98 2zyoA1 LEU 121 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 2zyoA1 TYR 122 H 0.16 0.64 0.37 -0.55 8.29 8.91 2zyoA1 TYR 122 HA 0.03 0.13 0.98 -0.75 4.56 4.94 2zyoA1 TYR 122 HB2 -0.04 0.13 0.05 -0.04 3.06 3.16 2zyoA1 TYR 122 HB3 -0.07 -0.08 0.06 -0.04 2.98 2.85 2zyoA1 TYR 122 HD2 0.03 0.07 -0.23 -0.04 7.15 6.98 2zyoA1 TYR 122 HE2 0.06 0.18 -0.19 -0.04 6.85 6.86 2zyoA1 GLY 123 H 0.10 0.18 0.15 -0.55 8.43 8.31 2zyoA1 GLY 123 HA2 0.09 0.05 0.43 -0.51 4.01 4.08 2zyoA1 GLY 123 HA3 0.22 0.17 0.46 -0.51 4.01 4.35 2zyoA1 LEU 124 H -0.02 0.35 0.25 -0.55 8.37 8.41 2zyoA1 LEU 124 HA -0.31 0.19 0.82 -0.75 4.35 4.31 2zyoA1 LEU 124 HB2 -0.04 -0.01 0.01 -0.04 1.64 1.56 2zyoA1 LEU 124 HB3 -0.41 0.12 0.00 -0.04 1.64 1.31 2zyoA1 LEU 124 HG -0.01 -0.09 -0.31 -0.04 1.64 1.19 2zyoA1 LEU 124 HD13 0.11 -0.00 -0.19 -0.04 0.93 0.80 2zyoA1 LEU 124 HD23 -0.01 0.05 -0.10 -0.04 0.89 0.79 2zyoA1 PRO 125 HA -0.23 0.03 0.47 -0.51 4.44 4.19 2zyoA1 PRO 125 HB2 -0.14 0.01 -0.14 -0.04 2.28 1.97 2zyoA1 PRO 125 HB3 -0.17 0.02 -0.09 -0.04 2.02 1.75 2zyoA1 PRO 125 HG2 -0.45 0.07 -0.04 -0.04 2.03 1.56 2zyoA1 PRO 125 HG3 -0.28 0.02 -0.06 -0.04 2.03 1.67 2zyoA1 PRO 125 HD2 -1.98 0.13 0.14 -0.04 3.68 1.93 2zyoA1 PRO 125 HD3 -0.61 0.16 0.14 -0.04 3.65 3.31 2zyoA1 LYS 126 H -0.21 0.57 0.46 -0.55 8.42 8.69 2zyoA1 LYS 126 HA -0.07 0.20 0.87 -0.75 4.32 4.57 2zyoA1 LYS 126 HB2 -0.29 0.01 0.04 -0.04 1.87 1.59 2zyoA1 LYS 126 HB3 -0.17 -0.04 -0.02 -0.04 1.79 1.53 2zyoA1 LYS 126 HG2 -0.26 0.08 -0.12 -0.04 1.46 1.11 2zyoA1 LYS 126 HG3 -0.46 -0.04 -0.20 -0.04 1.46 0.72 2zyoA1 LYS 126 HD2 -2.51 0.01 -0.30 -0.04 1.69 -1.15 2zyoA1 LYS 126 HD3 -0.89 -0.04 -0.35 -0.04 1.68 0.36 2zyoA1 LYS 126 HE2 -0.43 -0.03 -0.11 -0.04 2.99 2.37 2zyoA1 LYS 126 HE3 -0.47 0.05 -0.10 -0.04 2.99 2.43 2zyoA1 ALA 127 H -0.11 0.25 0.34 -0.55 8.40 8.34 2zyoA1 ALA 127 HA -0.00 0.46 0.81 -0.75 4.34 4.85 2zyoA1 ALA 127 HB3 -0.03 -0.02 -0.13 -0.04 1.41 1.18 2zyoA1 ILE 128 H 0.02 0.66 0.30 -0.55 8.25 8.68 2zyoA1 ILE 128 HA 0.03 0.25 0.96 -0.75 4.18 4.67 2zyoA1 ILE 128 HB 0.01 -0.03 -0.07 -0.04 1.89 1.76 2zyoA1 ILE 128 HG12 0.05 0.01 -0.19 -0.04 1.49 1.32 2zyoA1 ILE 128 HG13 0.05 -0.00 0.03 -0.04 1.21 1.25 2zyoA1 ILE 128 HG23 0.02 0.04 -0.15 -0.04 0.93 0.79 2zyoA1 ILE 128 HD13 0.03 0.00 -0.13 -0.04 0.88 0.74 2zyoA1 GLU 129 H 0.09 0.48 0.36 -0.55 8.60 8.99 2zyoA1 GLU 129 HA 0.01 0.19 0.83 -0.75 4.29 4.57 2zyoA1 GLU 129 HB2 0.20 -0.04 0.09 -0.04 2.09 2.29 2zyoA1 GLU 129 HB3 0.10 0.04 -0.05 -0.04 1.99 2.04 2zyoA1 GLU 129 HG2 0.14 0.13 0.03 -0.04 2.34 2.60 2zyoA1 GLU 129 HG3 0.27 -0.07 -0.03 -0.04 2.34 2.47 2zyoA1 SER 130 H -0.02 0.32 0.24 -0.55 8.46 8.46 2zyoA1 SER 130 HA 0.18 0.13 0.58 -0.75 4.49 4.63 2zyoA1 SER 130 HB2 0.10 0.04 -0.01 -0.04 3.95 4.04 2zyoA1 SER 130 HB3 0.11 0.02 -0.04 -0.04 3.93 3.97 2zyoA1 VAL 131 H 0.09 0.13 0.10 -0.55 8.24 8.01 2zyoA1 VAL 131 HA -0.00 0.10 0.39 -0.75 4.13 3.87 2zyoA1 VAL 131 HB 0.09 0.03 -0.07 -0.04 2.12 2.13 2zyoA1 VAL 131 HG13 0.21 -0.05 -0.11 -0.04 0.97 0.99 2zyoA1 VAL 131 HG23 -0.03 0.02 -0.06 -0.04 0.95 0.84 2zyoA1 ALA 132 H 0.06 0.56 0.32 -0.55 8.40 8.79 2zyoA1 ALA 132 HA -0.11 0.02 0.37 -0.75 4.34 3.87 2zyoA1 ALA 132 HB3 -0.24 0.08 -0.16 -0.04 1.41 1.06 2zyoA1 LEU 133 H -0.14 0.66 0.13 -0.55 8.37 8.46 2zyoA1 LEU 133 HA -0.10 0.20 0.88 -0.75 4.35 4.59 2zyoA1 LEU 133 HB2 -0.11 -0.06 -0.06 -0.04 1.64 1.37 2zyoA1 LEU 133 HB3 -0.06 -0.01 0.08 -0.04 1.64 1.61 2zyoA1 LEU 133 HG -0.00 0.06 -0.22 -0.04 1.64 1.43 2zyoA1 LEU 133 HD13 -0.06 0.01 -0.14 -0.04 0.93 0.70 2zyoA1 LEU 133 HD23 -0.13 -0.01 -0.09 -0.04 0.89 0.62 2zyoA1 ILE 134 H -0.09 0.51 0.35 -0.55 8.25 8.48 2zyoA1 ILE 134 HA -0.11 0.27 0.99 -0.75 4.18 4.57 2zyoA1 ILE 134 HB -0.21 -0.10 0.09 -0.04 1.89 1.63 2zyoA1 ILE 134 HG12 -0.08 0.03 -0.14 -0.04 1.49 1.26 2zyoA1 ILE 134 HG13 -0.06 0.02 -0.15 -0.04 1.21 0.98 2zyoA1 ILE 134 HG23 -0.04 0.01 -0.12 -0.04 0.93 0.74 2zyoA1 ILE 134 HD13 0.14 -0.04 -0.25 -0.04 0.88 0.69 2zyoA1 TYR 135 H -0.19 0.70 0.37 -0.55 8.29 8.61 2zyoA1 TYR 135 HA 0.16 0.23 1.17 -0.75 4.56 5.37 2zyoA1 TYR 135 HB2 0.05 0.16 0.07 -0.04 3.06 3.30 2zyoA1 TYR 135 HB3 -0.01 -0.08 -0.21 -0.04 2.98 2.63 2zyoA1 TYR 135 HD2 -0.03 0.10 -0.31 -0.04 7.15 6.87 2zyoA1 TYR 135 HE2 -0.05 0.03 -0.20 -0.04 6.85 6.60 2zyoA1 ASN 136 H 0.34 0.79 0.36 -0.55 8.53 9.48 2zyoA1 ASN 136 HA 0.02 0.13 0.82 -0.75 4.76 4.98 2zyoA1 ASN 136 HB2 -0.30 0.13 0.14 -0.04 2.88 2.81 2zyoA1 ASN 136 HB3 0.03 -0.00 0.27 -0.04 2.79 3.04 2zyoA1 ASN 136 HD21 -0.17 0.03 0.03 -0.04 7.03 6.89 2zyoA1 ASN 136 HD22 -0.33 0.07 0.00 -0.04 7.74 7.44 2zyoA1 LYS 137 H -0.01 0.76 0.37 -0.55 8.42 8.97 2zyoA1 LYS 137 HA 0.17 0.25 0.38 -0.75 4.32 4.37 2zyoA1 LYS 137 HB2 -0.01 0.01 0.11 -0.04 1.87 1.94 2zyoA1 LYS 137 HB3 0.04 -0.03 0.07 -0.04 1.79 1.82 2zyoA1 LYS 137 HG2 0.05 0.03 0.01 -0.04 1.46 1.50 2zyoA1 LYS 137 HG3 -0.18 0.02 -0.11 -0.04 1.46 1.15 2zyoA1 LYS 137 HD2 -0.05 -0.02 -0.27 -0.04 1.69 1.31 2zyoA1 LYS 137 HD3 -0.00 -0.04 -0.05 -0.04 1.68 1.55 2zyoA1 LYS 137 HE2 -0.02 -0.02 -0.00 -0.04 2.99 2.91 2zyoA1 LYS 137 HE3 -0.16 0.07 -0.10 -0.04 2.99 2.76 2zyoA1 LYS 138 H 0.01 0.05 -0.29 -0.55 8.42 7.64 2zyoA1 LYS 138 HA 0.02 0.12 0.66 -0.75 4.32 4.36 2zyoA1 LYS 138 HB2 -0.02 0.02 0.04 -0.04 1.87 1.88 2zyoA1 LYS 138 HB3 -0.00 0.03 0.11 -0.04 1.79 1.88 2zyoA1 LYS 138 HG2 -0.00 0.01 0.03 -0.04 1.46 1.45 2zyoA1 LYS 138 HG3 -0.01 -0.09 0.04 -0.04 1.46 1.36 2zyoA1 LYS 138 HD2 -0.03 0.05 0.05 -0.04 1.69 1.72 2zyoA1 LYS 138 HD3 -0.01 0.00 0.04 -0.04 1.68 1.67 2zyoA1 LYS 138 HE2 -0.01 -0.03 0.03 -0.04 2.99 2.94 2zyoA1 LYS 138 HE3 -0.02 -0.05 0.07 -0.04 2.99 2.95 2zyoA1 LEU 139 H 0.07 0.46 -0.17 -0.55 8.37 8.18 2zyoA1 LEU 139 HA 0.05 0.18 0.91 -0.75 4.35 4.74 2zyoA1 LEU 139 HB2 0.09 0.07 0.09 -0.04 1.64 1.85 2zyoA1 LEU 139 HB3 0.09 -0.05 0.04 -0.04 1.64 1.68 2zyoA1 LEU 139 HG -0.00 -0.13 -0.22 -0.04 1.64 1.24 2zyoA1 LEU 139 HD13 0.00 0.10 -0.33 -0.04 0.93 0.67 2zyoA1 LEU 139 HD23 0.01 0.05 -0.09 -0.04 0.89 0.83 2zyoA1 MET 140 H 0.13 0.39 0.13 -0.55 8.47 8.58 2zyoA1 MET 140 HA 0.02 0.08 0.79 -0.75 4.52 4.66 2zyoA1 MET 140 HB2 0.03 0.00 -0.18 -0.04 2.15 1.96 2zyoA1 MET 140 HB3 0.12 0.02 -0.05 -0.04 2.03 2.09 2zyoA1 MET 140 HG2 -0.39 0.06 -0.57 -0.04 2.63 1.69 2zyoA1 MET 140 HG3 -0.26 -0.01 -0.17 -0.04 2.56 2.07 2zyoA1 MET 140 HE3 -0.54 0.00 -0.10 -0.04 2.10 1.42 2zyoA1 GLY 141 H -0.04 0.11 -0.04 -0.55 8.43 7.91 2zyoA1 GLY 141 HA2 0.03 0.21 0.73 -0.51 4.01 4.48 2zyoA1 GLY 141 HA3 -0.01 -0.05 0.32 -0.51 4.01 3.75 2zyoA1 GLN 142 H -0.06 0.08 0.09 -0.55 8.47 8.04 2zyoA1 GLN 142 HA -0.11 0.08 0.64 -0.75 4.36 4.22 2zyoA1 GLN 142 HB2 -0.05 -0.02 0.09 -0.04 2.15 2.13 2zyoA1 GLN 142 HB3 -0.06 -0.04 0.11 -0.04 2.02 1.98 2zyoA1 GLN 142 HG2 -0.05 -0.07 -0.03 -0.04 2.40 2.20 2zyoA1 GLN 142 HG3 -0.09 0.25 -0.25 -0.04 2.39 2.26 2zyoA1 GLN 142 HE21 -0.06 -0.04 -0.01 -0.04 6.97 6.83 2zyoA1 GLN 142 HE22 -0.08 0.25 -0.05 -0.04 7.69 7.77 2zyoA1 VAL 143 H -0.23 0.11 0.08 -0.55 8.24 7.66 2zyoA1 VAL 143 HA -0.35 0.10 0.37 -0.75 4.13 3.50 2zyoA1 VAL 143 HB -0.25 0.05 -0.01 -0.04 2.12 1.87 2zyoA1 VAL 143 HG13 -0.67 0.01 -0.08 -0.04 0.97 0.19 2zyoA1 VAL 143 HG23 -0.14 -0.00 -0.09 -0.04 0.95 0.68 2zyoA1 PRO 144 HA -0.10 0.00 0.44 -0.51 4.44 4.28 2zyoA1 PRO 144 HB2 -0.07 0.02 -0.03 -0.04 2.28 2.17 2zyoA1 PRO 144 HB3 -0.07 -0.11 -0.17 -0.04 2.02 1.63 2zyoA1 PRO 144 HG2 -0.20 0.02 0.01 -0.04 2.03 1.82 2zyoA1 PRO 144 HG3 -0.29 0.09 -0.02 -0.04 2.03 1.77 2zyoA1 PRO 144 HD2 -0.22 0.09 0.11 -0.04 3.68 3.61 2zyoA1 PRO 144 HD3 -0.36 0.19 0.12 -0.04 3.65 3.56 2zyoA1 ALA 145 H -0.04 0.08 0.16 -0.55 8.40 8.05 2zyoA1 ALA 145 HA -0.03 0.19 0.41 -0.75 4.34 4.16 2zyoA1 ALA 145 HB3 -0.02 0.00 0.08 -0.04 1.41 1.43 2zyoA1 THR 146 H -0.00 0.05 -0.06 -0.55 8.28 7.71 2zyoA1 THR 146 HA 0.05 0.33 0.86 -0.75 4.39 4.87 2zyoA1 THR 146 HB 0.07 -0.02 0.13 -0.04 4.32 4.45 2zyoA1 THR 146 HG23 0.02 0.03 -0.17 -0.04 1.22 1.06 2zyoA1 TYR 147 H 0.20 0.77 0.16 -0.55 8.29 8.87 2zyoA1 TYR 147 HA 0.12 0.12 0.42 -0.75 4.56 4.47 2zyoA1 TYR 147 HB2 0.13 0.18 -0.06 -0.04 3.06 3.27 2zyoA1 TYR 147 HB3 0.07 -0.11 0.15 -0.04 2.98 3.05 2zyoA1 TYR 147 HD2 0.19 0.01 -0.11 -0.04 7.15 7.20 2zyoA1 TYR 147 HE2 0.28 0.03 -0.08 -0.04 6.85 7.04 2zyoA1 ASP 148 H 0.12 0.12 -0.09 -0.55 8.40 8.00 2zyoA1 ASP 148 HA -0.03 0.11 0.38 -0.75 4.63 4.35 2zyoA1 ASP 148 HB2 0.03 -0.05 0.04 -0.04 2.71 2.70 2zyoA1 ASP 148 HB3 0.02 0.08 -0.02 -0.04 2.70 2.75 2zyoA1 GLU 149 H 0.01 0.05 -0.34 -0.55 8.60 7.77 2zyoA1 GLU 149 HA 0.01 0.10 0.43 -0.75 4.29 4.08 2zyoA1 GLU 149 HB2 -0.01 -0.08 0.12 -0.04 2.09 2.08 2zyoA1 GLU 149 HB3 -0.01 0.07 0.02 -0.04 1.99 2.03 2zyoA1 GLU 149 HG2 0.00 0.09 0.02 -0.04 2.34 2.41 2zyoA1 GLU 149 HG3 0.01 -0.05 -0.02 -0.04 2.34 2.24 2zyoA1 LEU 150 H -0.02 0.41 -0.17 -0.55 8.37 8.04 2zyoA1 LEU 150 HA 0.01 0.07 0.47 -0.75 4.35 4.14 2zyoA1 LEU 150 HB2 0.02 0.05 0.06 -0.04 1.64 1.72 2zyoA1 LEU 150 HB3 -0.03 0.09 0.13 -0.04 1.64 1.79 2zyoA1 LEU 150 HG 0.25 -0.03 -0.21 -0.04 1.64 1.61 2zyoA1 LEU 150 HD13 0.02 0.01 -0.05 -0.04 0.93 0.87 2zyoA1 LEU 150 HD23 0.23 -0.00 -0.10 -0.04 0.89 0.98 2zyoA1 PHE 151 H -0.15 0.59 -0.12 -0.55 8.34 8.11 2zyoA1 PHE 151 HA -0.42 0.05 0.43 -0.75 4.62 3.92 2zyoA1 PHE 151 HB2 -0.80 0.02 0.06 -0.04 3.15 2.39 2zyoA1 PHE 151 HB3 -0.36 0.05 0.07 -0.04 3.06 2.77 2zyoA1 PHE 151 HD2 -0.84 0.00 -0.10 -0.04 7.28 6.30 2zyoA1 PHE 151 HE2 -1.13 0.00 -0.12 -0.04 7.38 6.09 2zyoA1 PHE 151 HZ -0.37 0.14 -0.24 -0.04 7.32 6.81 2zyoA1 GLN 152 H -0.02 0.51 -0.11 -0.55 8.47 8.31 2zyoA1 GLN 152 HA -0.11 0.04 0.50 -0.75 4.36 4.04 2zyoA1 GLN 152 HB2 -0.00 0.00 0.12 -0.04 2.15 2.23 2zyoA1 GLN 152 HB3 0.00 0.06 0.17 -0.04 2.02 2.21 2zyoA1 GLN 152 HG2 -0.00 -0.04 -0.02 -0.04 2.40 2.30 2zyoA1 GLN 152 HG3 -0.01 0.03 -0.21 -0.04 2.39 2.15 2zyoA1 GLN 152 HE21 -0.05 0.03 -0.01 -0.04 6.97 6.90 2zyoA1 GLN 152 HE22 -0.04 0.01 -0.04 -0.04 7.69 7.58 2zyoA1 TYR 153 H 0.08 0.51 -0.21 -0.55 8.29 8.12 2zyoA1 TYR 153 HA -0.06 0.02 0.43 -0.75 4.56 4.19 2zyoA1 TYR 153 HB2 -0.04 0.05 0.15 -0.04 3.06 3.18 2zyoA1 TYR 153 HB3 -0.03 0.16 0.14 -0.04 2.98 3.22 2zyoA1 TYR 153 HD2 0.00 -0.02 -0.15 -0.04 7.15 6.95 2zyoA1 TYR 153 HE2 0.02 0.07 0.02 -0.04 6.85 6.92 2zyoA1 ALA 154 H -0.07 0.42 -0.22 -0.55 8.40 7.97 2zyoA1 ALA 154 HA -0.01 -0.14 0.57 -0.75 4.34 4.01 2zyoA1 ALA 154 HB3 -0.22 0.04 0.16 -0.04 1.41 1.35 2zyoA1 LYS 155 H -0.46 0.55 -0.01 -0.55 8.42 7.95 2zyoA1 LYS 155 HA -0.28 0.13 0.48 -0.75 4.32 3.89 2zyoA1 LYS 155 HB2 -0.24 0.03 0.20 -0.04 1.87 1.82 2zyoA1 LYS 155 HB3 -0.17 -0.02 0.03 -0.04 1.79 1.58 2zyoA1 LYS 155 HG2 -0.44 0.07 -0.18 -0.04 1.46 0.87 2zyoA1 LYS 155 HG3 -0.92 0.10 -0.01 -0.04 1.46 0.59 2zyoA1 LYS 155 HD2 -0.07 0.03 -0.00 -0.04 1.69 1.61 2zyoA1 LYS 155 HD3 0.09 -0.08 -0.05 -0.04 1.68 1.60 2zyoA1 LYS 155 HE2 0.07 -0.06 -0.15 -0.04 2.99 2.80 2zyoA1 LYS 155 HE3 -0.07 0.04 0.01 -0.04 2.99 2.93 2zyoA1 ALA 156 H -0.18 0.48 -0.19 -0.55 8.40 7.96 2zyoA1 ALA 156 HA -0.12 0.05 0.49 -0.75 4.34 4.01 2zyoA1 ALA 156 HB3 -0.14 -0.03 0.08 -0.04 1.41 1.29 2zyoA1 ASN 157 H -0.23 0.29 -0.16 -0.55 8.53 7.89 2zyoA1 ASN 157 HA -0.17 0.18 0.67 -0.75 4.76 4.68 2zyoA1 ASN 157 HB2 -0.45 0.04 0.15 -0.04 2.88 2.58 2zyoA1 ASN 157 HB3 -0.25 -0.06 0.02 -0.04 2.79 2.47 2zyoA1 ASN 157 HD21 -0.20 -0.05 -0.06 -0.04 7.03 6.67 2zyoA1 ASN 157 HD22 -0.18 0.04 -0.05 -0.04 7.74 7.51 2zyoA1 ASN 158 H -0.12 0.55 0.05 -0.55 8.53 8.47 2zyoA1 ASN 158 HA -0.13 -0.09 0.79 -0.75 4.76 4.58 2zyoA1 ASN 158 HB2 -0.02 0.16 0.24 -0.04 2.88 3.21 2zyoA1 ASN 158 HB3 0.08 0.03 0.07 -0.04 2.79 2.93 2zyoA1 ASN 158 HD21 0.37 0.07 0.24 -0.04 7.03 7.67 2zyoA1 ASN 158 HD22 0.21 0.59 0.22 -0.04 7.74 8.71 2zyoA1 LYS 159 H -0.44 0.80 0.36 -0.55 8.42 8.58 2zyoA1 LYS 159 HA -0.15 0.19 0.90 -0.75 4.32 4.50 2zyoA1 LYS 159 HB2 -0.18 0.03 0.22 -0.04 1.87 1.90 2zyoA1 LYS 159 HB3 -0.12 -0.18 0.12 -0.04 1.79 1.57 2zyoA1 LYS 159 HG2 -0.10 0.02 -0.09 -0.04 1.46 1.24 2zyoA1 LYS 159 HG3 -0.13 0.13 -0.50 -0.04 1.46 0.93 2zyoA1 LYS 159 HD2 -0.08 -0.10 -0.01 -0.04 1.69 1.47 2zyoA1 LYS 159 HD3 -0.08 -0.00 -0.04 -0.04 1.68 1.52 2zyoA1 LYS 159 HE2 -0.10 0.14 -0.04 -0.04 2.99 2.95 2zyoA1 LYS 159 HE3 -0.10 -0.04 -0.01 -0.04 2.99 2.80 2zyoA1 PRO 160 HA -0.16 0.04 0.41 -0.51 4.44 4.21 2zyoA1 PRO 160 HB2 0.06 -0.03 -0.01 -0.04 2.28 2.25 2zyoA1 PRO 160 HB3 0.15 0.14 0.13 -0.04 2.02 2.39 2zyoA1 PRO 160 HG2 -0.00 -0.07 0.09 -0.04 2.03 2.01 2zyoA1 PRO 160 HG3 0.05 0.20 0.09 -0.04 2.03 2.32 2zyoA1 PRO 160 HD2 -0.09 0.17 0.17 -0.04 3.68 3.89 2zyoA1 PRO 160 HD3 -0.09 0.25 -0.11 -0.04 3.65 3.65 2zyoA1 ASP 161 H -0.06 0.16 -0.20 -0.55 8.40 7.75 2zyoA1 ASP 161 HA -0.00 0.08 0.43 -0.75 4.63 4.39 2zyoA1 ASP 161 HB2 -0.03 0.01 0.04 -0.04 2.71 2.69 2zyoA1 ASP 161 HB3 -0.02 0.01 0.03 -0.04 2.70 2.69 2zyoA1 GLU 162 H -0.09 0.33 -0.28 -0.55 8.60 8.02 2zyoA1 GLU 162 HA -0.02 0.18 0.83 -0.75 4.29 4.52 2zyoA1 GLU 162 HB2 -0.08 0.06 0.07 -0.04 2.09 2.11 2zyoA1 GLU 162 HB3 -0.04 0.02 0.14 -0.04 1.99 2.06 2zyoA1 GLU 162 HG2 -0.03 0.03 -0.07 -0.04 2.34 2.23 2zyoA1 GLU 162 HG3 -0.04 -0.11 -0.19 -0.04 2.34 1.96 2zyoA1 GLN 163 H -0.05 0.24 -0.25 -0.55 8.47 7.86 2zyoA1 GLN 163 HA 0.08 -0.01 0.28 -0.75 4.36 3.96 2zyoA1 GLN 163 HB2 0.04 0.16 0.04 -0.04 2.15 2.35 2zyoA1 GLN 163 HB3 0.11 -0.08 0.17 -0.04 2.02 2.17 2zyoA1 GLN 163 HG2 0.03 0.01 -0.29 -0.04 2.40 2.11 2zyoA1 GLN 163 HG3 0.05 -0.05 -0.07 -0.04 2.39 2.28 2zyoA1 GLN 163 HE21 0.08 -0.09 0.03 -0.04 6.97 6.95 2zyoA1 GLN 163 HE22 0.05 0.03 -0.01 -0.04 7.69 7.71 2zyoA1 LYS 164 H -0.24 0.34 -0.12 -0.55 8.42 7.85 2zyoA1 LYS 164 HA 0.02 0.33 0.95 -0.75 4.32 4.86 2zyoA1 LYS 164 HB2 -0.06 0.01 -0.09 -0.04 1.87 1.69 2zyoA1 LYS 164 HB3 -0.12 -0.05 0.05 -0.04 1.79 1.63 2zyoA1 LYS 164 HG2 -0.00 0.08 0.18 -0.04 1.46 1.68 2zyoA1 LYS 164 HG3 -0.03 -0.08 0.02 -0.04 1.46 1.33 2zyoA1 LYS 164 HD2 -0.05 -0.05 -0.07 -0.04 1.69 1.47 2zyoA1 LYS 164 HD3 -0.02 0.04 -0.17 -0.04 1.68 1.48 2zyoA1 LYS 164 HE2 0.02 0.02 -0.10 -0.04 2.99 2.89 2zyoA1 LYS 164 HE3 -0.00 -0.06 -0.03 -0.04 2.99 2.85 2zyoA1 TYR 165 H 0.15 0.70 0.36 -0.55 8.29 8.94 2zyoA1 TYR 165 HA 0.02 0.12 0.91 -0.75 4.56 4.86 2zyoA1 TYR 165 HB2 0.09 -0.03 -0.12 -0.04 3.06 2.96 2zyoA1 TYR 165 HB3 0.10 -0.03 -0.26 -0.04 2.98 2.75 2zyoA1 TYR 165 HD2 0.06 0.08 -0.22 -0.04 7.15 7.03 2zyoA1 TYR 165 HE2 0.04 0.09 -0.11 -0.04 6.85 6.83 2zyoA1 GLY 166 H 0.09 0.18 -0.11 -0.55 8.43 8.05 2zyoA1 GLY 166 HA2 0.17 0.10 0.76 -0.51 4.01 4.53 2zyoA1 GLY 166 HA3 -0.05 0.11 0.25 -0.51 4.01 3.81 2zyoA1 VAL 167 H 0.29 0.21 0.10 -0.55 8.24 8.29 2zyoA1 VAL 167 HA 0.26 0.39 0.80 -0.75 4.13 4.81 2zyoA1 VAL 167 HB 0.63 -0.03 0.04 -0.04 2.12 2.72 2zyoA1 VAL 167 HG13 0.28 -0.02 -0.23 -0.04 0.97 0.96 2zyoA1 VAL 167 HG23 0.36 0.01 -0.25 -0.04 0.95 1.03 2zyoA1 LEU 168 H 0.15 0.63 0.25 -0.55 8.37 8.85 2zyoA1 LEU 168 HA -0.01 0.15 0.83 -0.75 4.35 4.56 2zyoA1 LEU 168 HB2 -0.30 0.07 -0.18 -0.04 1.64 1.19 2zyoA1 LEU 168 HB3 -0.02 0.04 0.01 -0.04 1.64 1.63 2zyoA1 LEU 168 HG -0.15 -0.12 -0.24 -0.04 1.64 1.08 2zyoA1 LEU 168 HD13 -0.55 -0.00 0.02 -0.04 0.93 0.35 2zyoA1 LEU 168 HD23 -0.29 0.02 -0.14 -0.04 0.89 0.44 2zyoA1 PHE 169 H -0.21 0.33 0.20 -0.55 8.34 8.10 2zyoA1 PHE 169 HA -0.15 0.11 0.44 -0.75 4.62 4.27 2zyoA1 PHE 169 HB2 -0.12 0.14 0.27 -0.04 3.15 3.41 2zyoA1 PHE 169 HB3 -0.14 -0.08 -0.05 -0.04 3.06 2.75 2zyoA1 PHE 169 HD2 -0.30 -0.02 -0.25 -0.04 7.28 6.68 2zyoA1 PHE 169 HE2 -1.44 0.03 -0.25 -0.04 7.38 5.68 2zyoA1 PHE 169 HZ -0.58 0.03 -0.12 -0.04 7.32 6.62 2zyoA1 GLU 170 H -0.19 0.23 0.11 -0.55 8.60 8.20 2zyoA1 GLU 170 HA -0.22 0.14 0.47 -0.75 4.29 3.93 2zyoA1 GLU 170 HB2 -0.95 0.04 0.21 -0.04 2.09 1.34 2zyoA1 GLU 170 HB3 -0.18 -0.05 0.15 -0.04 1.99 1.86 2zyoA1 GLU 170 HG2 -0.15 0.05 -0.25 -0.04 2.34 1.95 2zyoA1 GLU 170 HG3 -0.30 0.04 -0.04 -0.04 2.34 2.00 2zyoA1 ALA 171 H -0.60 0.59 0.09 -0.55 8.40 7.93 2zyoA1 ALA 171 HA -0.44 0.04 0.26 -0.75 4.34 3.44 2zyoA1 ALA 171 HB3 -0.88 0.04 0.03 -0.04 1.41 0.56 2zyoA1 ASN 172 H 0.06 0.02 -0.58 -0.55 8.53 7.48 2zyoA1 ASN 172 HA 0.33 0.23 0.75 -0.75 4.76 5.32 2zyoA1 ASN 172 HB2 0.06 0.02 0.05 -0.04 2.88 2.96 2zyoA1 ASN 172 HB3 0.13 0.10 -0.11 -0.04 2.79 2.88 2zyoA1 ASN 172 HD21 0.03 0.55 -0.05 -0.04 7.03 7.52 2zyoA1 ASN 172 HD22 0.01 0.05 -0.09 -0.04 7.74 7.67 2zyoA1 ASN 173 H 0.11 0.42 -0.25 -0.55 8.53 8.27 2zyoA1 ASN 173 HA 0.06 0.16 0.89 -0.75 4.76 5.12 2zyoA1 ASN 173 HB2 0.12 0.05 -0.09 -0.04 2.88 2.92 2zyoA1 ASN 173 HB3 0.37 0.09 0.20 -0.04 2.79 3.40 2zyoA1 ASN 173 HD21 0.13 0.02 0.01 -0.04 7.03 7.14 2zyoA1 ASN 173 HD22 0.18 0.01 0.01 -0.04 7.74 7.90 2zyoA1 PHE 174 H 0.14 0.26 0.06 -0.55 8.34 8.25 2zyoA1 PHE 174 HA 0.05 0.09 0.23 -0.75 4.62 4.23 2zyoA1 PHE 174 HB2 -0.05 0.10 -0.06 -0.04 3.15 3.10 2zyoA1 PHE 174 HB3 0.28 -0.01 0.01 -0.04 3.06 3.30 2zyoA1 PHE 174 HD2 -0.11 0.01 -0.13 -0.04 7.28 7.01 2zyoA1 PHE 174 HE2 -0.57 0.02 -0.09 -0.04 7.38 6.70 2zyoA1 PHE 174 HZ 0.04 0.01 -0.12 -0.04 7.32 7.21 2zyoA1 TYR 175 H 0.53 0.08 -0.23 -0.55 8.29 8.11 2zyoA1 TYR 175 HA 0.46 0.10 0.45 -0.75 4.56 4.82 2zyoA1 TYR 175 HB2 -0.19 0.02 0.07 -0.04 3.06 2.92 2zyoA1 TYR 175 HB3 -0.07 -0.03 0.03 -0.04 2.98 2.87 2zyoA1 TYR 175 HD2 -0.66 0.01 -0.10 -0.04 7.15 6.35 2zyoA1 TYR 175 HE2 0.04 -0.01 -0.09 -0.04 6.85 6.74 2zyoA1 TYR 176 H 0.49 0.31 -0.24 -0.55 8.29 8.29 2zyoA1 TYR 176 HA 0.16 0.09 0.53 -0.75 4.56 4.59 2zyoA1 TYR 176 HB2 0.33 0.31 0.15 -0.04 3.06 3.81 2zyoA1 TYR 176 HB3 0.49 -0.01 -0.03 -0.04 2.98 3.39 2zyoA1 TYR 176 HD2 0.29 0.04 0.01 -0.04 7.15 7.46 2zyoA1 TYR 176 HE2 0.29 -0.05 0.06 -0.04 6.85 7.12 2zyoA1 THR 177 H 0.34 0.34 -0.04 -0.55 8.28 8.37 2zyoA1 THR 177 HA 0.30 0.13 0.45 -0.75 4.39 4.52 2zyoA1 THR 177 HB 0.44 -0.02 0.06 -0.04 4.32 4.76 2zyoA1 THR 177 HG23 0.42 0.10 -0.08 -0.04 1.22 1.62 2zyoA1 TYR 178 H 0.02 0.29 -0.51 -0.55 8.29 7.54 2zyoA1 TYR 178 HA -0.34 -0.02 0.31 -0.75 4.56 3.76 2zyoA1 TYR 178 HB2 -0.98 0.12 0.12 -0.04 3.06 2.27 2zyoA1 TYR 178 HB3 -0.63 -0.01 0.08 -0.04 2.98 2.38 2zyoA1 TYR 178 HD2 -0.66 -0.04 -0.11 -0.04 7.15 6.30 2zyoA1 TYR 178 HE2 -0.13 0.00 -0.19 -0.04 6.85 6.49 2zyoA1 PHE 179 H 0.22 0.18 -0.29 -0.55 8.34 7.89 2zyoA1 PHE 179 HA -0.30 0.30 0.41 -0.75 4.62 4.27 2zyoA1 PHE 179 HB2 -0.11 -0.08 -0.05 -0.04 3.15 2.86 2zyoA1 PHE 179 HB3 -0.09 0.00 -0.08 -0.04 3.06 2.85 2zyoA1 PHE 179 HD2 -0.09 0.07 -0.10 -0.04 7.28 7.12 2zyoA1 PHE 179 HE2 -0.17 0.00 -0.10 -0.04 7.38 7.08 2zyoA1 PHE 179 HZ 0.07 -0.00 -0.10 -0.04 7.32 7.25 2zyoA1 LEU 180 H -0.74 0.36 -0.31 -0.55 8.37 7.13 2zyoA1 LEU 180 HA -0.59 0.04 0.47 -0.75 4.35 3.52 2zyoA1 LEU 180 HB2 -0.33 0.15 0.10 -0.04 1.64 1.52 2zyoA1 LEU 180 HB3 -0.42 0.01 0.06 -0.04 1.64 1.26 2zyoA1 LEU 180 HG -1.46 -0.05 -0.01 -0.04 1.64 0.08 2zyoA1 LEU 180 HD13 0.11 -0.01 -0.08 -0.04 0.93 0.90 2zyoA1 LEU 180 HD23 -0.47 -0.00 -0.05 -0.04 0.89 0.32 2zyoA1 PHE 181 H 0.05 0.33 -0.12 -0.55 8.34 8.05 2zyoA1 PHE 181 HA -0.10 0.02 0.58 -0.75 4.62 4.37 2zyoA1 PHE 181 HB2 -0.11 0.13 0.11 -0.04 3.15 3.24 2zyoA1 PHE 181 HB3 0.02 -0.05 -0.09 -0.04 3.06 2.90 2zyoA1 PHE 181 HD2 0.08 0.07 -0.07 -0.04 7.28 7.32 2zyoA1 PHE 181 HE2 0.23 0.03 -0.09 -0.04 7.38 7.52 2zyoA1 PHE 181 HZ -0.05 0.01 -0.10 -0.04 7.32 7.14 2zyoA1 ALA 182 H -0.46 0.69 0.06 -0.55 8.40 8.14 2zyoA1 ALA 182 HA -0.19 0.14 0.41 -0.75 4.34 3.94 2zyoA1 ALA 182 HB3 -0.53 0.01 0.07 -0.04 1.41 0.91 2zyoA1 ALA 183 H -0.19 0.44 -0.31 -0.55 8.40 7.79 2zyoA1 ALA 183 HA -0.07 0.08 0.37 -0.75 4.34 3.97 2zyoA1 ALA 183 HB3 -0.15 0.02 0.03 -0.04 1.41 1.28 2zyoA1 LYS 184 H -0.12 0.30 -0.46 -0.55 8.42 7.58 2zyoA1 LYS 184 HA -0.07 0.11 0.59 -0.75 4.32 4.20 2zyoA1 LYS 184 HB2 -0.08 0.05 0.07 -0.04 1.87 1.87 2zyoA1 LYS 184 HB3 -0.07 -0.10 0.16 -0.04 1.79 1.74 2zyoA1 LYS 184 HG2 -0.20 0.36 0.09 -0.04 1.46 1.67 2zyoA1 LYS 184 HG3 -0.17 -0.15 -0.29 -0.04 1.46 0.80 2zyoA1 LYS 184 HD2 -0.10 -0.06 -0.07 -0.04 1.69 1.42 2zyoA1 LYS 184 HD3 -0.11 0.03 -0.30 -0.04 1.68 1.26 2zyoA1 LYS 184 HE2 -0.23 0.07 -0.03 -0.04 2.99 2.75 2zyoA1 LYS 184 HE3 -0.18 0.06 -0.11 -0.04 2.99 2.72 2zyoA1 GLY 185 H -0.05 0.40 -0.40 -0.55 8.43 7.84 2zyoA1 GLY 185 HA2 -0.01 0.09 0.25 -0.51 4.01 3.83 2zyoA1 GLY 185 HA3 -0.01 0.07 0.65 -0.51 4.01 4.21 2zyoA1 ALA 186 H 0.01 0.42 -0.08 -0.55 8.40 8.19 2zyoA1 ALA 186 HA 0.05 0.02 0.47 -0.75 4.34 4.12 2zyoA1 ALA 186 HB3 0.16 -0.02 -0.23 -0.04 1.41 1.27 2zyoA1 ALA 187 H 0.06 0.17 0.12 -0.55 8.40 8.20 2zyoA1 ALA 187 HA 0.17 0.19 0.74 -0.75 4.34 4.69 2zyoA1 ALA 187 HB3 0.09 0.04 -0.09 -0.04 1.41 1.40 2zyoA1 VAL 188 H 0.15 0.18 0.08 -0.55 8.24 8.10 2zyoA1 VAL 188 HA -0.19 0.07 0.62 -0.75 4.13 3.88 2zyoA1 VAL 188 HB -0.04 -0.03 0.15 -0.04 2.12 2.16 2zyoA1 VAL 188 HG13 -0.74 0.00 -0.08 -0.04 0.97 0.12 2zyoA1 VAL 188 HG23 0.28 0.02 0.00 -0.04 0.95 1.21 2zyoA1 PHE 189 H 0.10 0.15 0.10 -0.55 8.34 8.14 2zyoA1 PHE 189 HA 0.00 0.35 0.90 -0.75 4.62 5.12 2zyoA1 PHE 189 HB2 0.01 -0.08 -0.06 -0.04 3.15 2.98 2zyoA1 PHE 189 HB3 0.00 0.15 -0.12 -0.04 3.06 3.05 2zyoA1 PHE 189 HD2 -0.02 0.09 -0.11 -0.04 7.28 7.19 2zyoA1 PHE 189 HE2 -0.07 0.07 -0.10 -0.04 7.38 7.23 2zyoA1 PHE 189 HZ -0.09 0.08 -0.39 -0.04 7.32 6.88 2zyoA1 LYS 190 H 0.15 0.59 0.23 -0.55 8.42 8.84 2zyoA1 LYS 190 HA 0.08 0.03 0.55 -0.75 4.32 4.23 2zyoA1 LYS 190 HB2 0.06 0.03 0.09 -0.04 1.87 2.00 2zyoA1 LYS 190 HB3 0.07 -0.06 0.20 -0.04 1.79 1.96 2zyoA1 LYS 190 HG2 0.04 -0.02 -0.05 -0.04 1.46 1.39 2zyoA1 LYS 190 HG3 0.04 0.02 -0.35 -0.04 1.46 1.14 2zyoA1 LYS 190 HD2 0.05 -0.05 0.09 -0.04 1.69 1.74 2zyoA1 LYS 190 HD3 0.04 -0.02 0.01 -0.04 1.68 1.67 2zyoA1 LYS 190 HE2 0.03 -0.00 0.02 -0.04 2.99 2.99 2zyoA1 LYS 190 HE3 0.03 -0.04 -0.02 -0.04 2.99 2.92 2zyoA1 GLU 191 H 0.07 0.16 0.21 -0.55 8.60 8.50 2zyoA1 GLU 191 HA 0.05 0.20 0.75 -0.75 4.29 4.53 2zyoA1 GLU 191 HB2 0.09 0.04 0.00 -0.04 2.09 2.18 2zyoA1 GLU 191 HB3 0.06 0.00 0.08 -0.04 1.99 2.09 2zyoA1 GLU 191 HG2 0.03 -0.16 -0.26 -0.04 2.34 1.91 2zyoA1 GLU 191 HG3 0.04 0.04 -0.29 -0.04 2.34 2.08 2zyoA1 GLN 192 H 0.01 0.76 0.13 -0.55 8.47 8.83 2zyoA1 GLN 192 HA 0.02 0.09 0.70 -0.75 4.36 4.42 2zyoA1 GLN 192 HB2 0.01 0.03 -0.13 -0.04 2.15 2.02 2zyoA1 GLN 192 HB3 0.00 0.04 0.09 -0.04 2.02 2.12 2zyoA1 GLN 192 HG2 0.00 -0.00 -0.03 -0.04 2.40 2.33 2zyoA1 GLN 192 HG3 0.00 0.00 -0.18 -0.04 2.39 2.17 2zyoA1 GLN 192 HE21 0.01 -0.00 0.01 -0.04 6.97 6.95 2zyoA1 GLN 192 HE22 0.01 -0.01 -0.02 -0.04 7.69 7.63 2zyoA1 ASP 193 H 0.01 0.19 0.04 -0.55 8.40 8.09 2zyoA1 ASP 193 HA 0.01 0.05 0.32 -0.75 4.63 4.25 2zyoA1 ASP 193 HB2 -0.00 0.11 -0.14 -0.04 2.71 2.64 2zyoA1 ASP 193 HB3 -0.00 0.03 0.18 -0.04 2.70 2.88 2zyoA1 GLY 194 H 0.01 0.06 -0.23 -0.55 8.43 7.72 2zyoA1 GLY 194 HA2 0.00 0.03 0.27 -0.51 4.01 3.80 2zyoA1 GLY 194 HA3 -0.02 0.15 0.55 -0.51 4.01 4.19 2zyoA1 THR 195 H -0.03 0.50 -0.53 -0.55 8.28 7.67 2zyoA1 THR 195 HA -0.12 0.06 0.77 -0.75 4.39 4.35 2zyoA1 THR 195 HB -0.08 0.03 -0.01 -0.04 4.32 4.22 2zyoA1 THR 195 HG23 -0.07 0.01 -0.02 -0.04 1.22 1.09 2zyoA1 LEU 196 H -0.11 0.13 0.19 -0.55 8.37 8.03 2zyoA1 LEU 196 HA 0.01 0.28 0.79 -0.75 4.35 4.67 2zyoA1 LEU 196 HB2 -0.16 -0.07 0.06 -0.04 1.64 1.43 2zyoA1 LEU 196 HB3 -0.07 0.01 -0.14 -0.04 1.64 1.40 2zyoA1 LEU 196 HG -0.01 0.06 -0.06 -0.04 1.64 1.60 2zyoA1 LEU 196 HD13 0.09 -0.03 0.01 -0.04 0.93 0.97 2zyoA1 LEU 196 HD23 0.11 0.02 -0.21 -0.04 0.89 0.77 2zyoA1 ASP 197 H 0.03 0.59 0.17 -0.55 8.40 8.65 2zyoA1 ASP 197 HA -0.05 0.22 0.84 -0.75 4.63 4.89 2zyoA1 ASP 197 HB2 0.01 0.10 0.05 -0.04 2.71 2.84 2zyoA1 ASP 197 HB3 0.05 -0.01 0.24 -0.04 2.70 2.94 2zyoA1 PRO 198 HA -0.33 0.06 0.31 -0.51 4.44 3.98 2zyoA1 PRO 198 HB2 -0.07 0.09 -0.05 -0.04 2.28 2.21 2zyoA1 PRO 198 HB3 -0.28 -0.07 0.04 -0.04 2.02 1.67 2zyoA1 PRO 198 HG2 -0.05 0.06 0.02 -0.04 2.03 2.01 2zyoA1 PRO 198 HG3 -0.10 0.06 0.05 -0.04 2.03 2.01 2zyoA1 PRO 198 HD2 -0.07 0.10 0.27 -0.04 3.68 3.94 2zyoA1 PRO 198 HD3 -0.16 0.29 0.16 -0.04 3.65 3.90 2zyoA1 ASN 199 H 0.02 0.05 -0.37 -0.55 8.53 7.68 2zyoA1 ASN 199 HA 0.05 0.19 0.66 -0.75 4.76 4.91 2zyoA1 ASN 199 HB2 0.02 -0.03 0.01 -0.04 2.88 2.84 2zyoA1 ASN 199 HB3 0.02 0.03 0.00 -0.04 2.79 2.81 2zyoA1 ASN 199 HD21 -0.00 0.07 -0.07 -0.04 7.03 6.98 2zyoA1 ASN 199 HD22 -0.01 -0.11 -0.06 -0.04 7.74 7.52 2zyoA1 GLU 200 H 0.09 0.17 -0.28 -0.55 8.60 8.04 2zyoA1 GLU 200 HA 0.05 0.22 0.90 -0.75 4.29 4.71 2zyoA1 GLU 200 HB2 0.04 -0.01 0.03 -0.04 2.09 2.12 2zyoA1 GLU 200 HB3 0.07 -0.09 0.25 -0.04 1.99 2.18 2zyoA1 GLU 200 HG2 0.04 -0.01 -0.14 -0.04 2.34 2.19 2zyoA1 GLU 200 HG3 0.03 0.06 -0.00 -0.04 2.34 2.39 2zyoA1 ILE 201 H 0.04 0.29 -0.12 -0.55 8.25 7.91 2zyoA1 ILE 201 HA -0.10 0.28 0.82 -0.75 4.18 4.43 2zyoA1 ILE 201 HB -0.04 0.01 0.11 -0.04 1.89 1.93 2zyoA1 ILE 201 HG12 -0.18 -0.00 -0.04 -0.04 1.49 1.23 2zyoA1 ILE 201 HG13 0.13 0.07 -0.18 -0.04 1.21 1.19 2zyoA1 ILE 201 HG23 -0.20 -0.07 -0.01 -0.04 0.93 0.60 2zyoA1 ILE 201 HD13 0.01 0.00 -0.02 -0.04 0.88 0.83 2zyoA1 GLY 202 H -0.12 0.67 0.13 -0.55 8.43 8.57 2zyoA1 GLY 202 HA2 -0.01 0.11 0.64 -0.51 4.01 4.24 2zyoA1 GLY 202 HA3 -0.01 0.04 0.29 -0.51 4.01 3.82 2zyoA1 LEU 203 H -0.12 0.14 -0.20 -0.55 8.37 7.65 2zyoA1 LEU 203 HA -0.05 0.12 0.38 -0.75 4.35 4.05 2zyoA1 LEU 203 HB2 -0.21 0.02 0.05 -0.04 1.64 1.45 2zyoA1 LEU 203 HB3 -0.24 0.01 0.11 -0.04 1.64 1.48 2zyoA1 LEU 203 HG -0.28 0.04 0.09 -0.04 1.64 1.45 2zyoA1 LEU 203 HD13 -0.58 -0.01 -0.01 -0.04 0.93 0.29 2zyoA1 LEU 203 HD23 -0.28 0.01 -0.18 -0.04 0.89 0.39 2zyoA1 ASN 204 H -0.03 0.13 -0.38 -0.55 8.53 7.70 2zyoA1 ASN 204 HA 0.01 0.20 0.59 -0.75 4.76 4.80 2zyoA1 ASN 204 HB2 -0.00 -0.01 0.04 -0.04 2.88 2.86 2zyoA1 ASN 204 HB3 -0.02 0.10 -0.26 -0.04 2.79 2.57 2zyoA1 ASN 204 HD21 -0.01 0.03 -0.03 -0.04 7.03 6.98 2zyoA1 ASN 204 HD22 -0.00 -0.02 0.01 -0.04 7.74 7.68 2zyoA1 SER 205 H 0.01 0.29 -0.16 -0.55 8.46 8.05 2zyoA1 SER 205 HA 0.01 0.19 0.55 -0.75 4.49 4.48 2zyoA1 SER 205 HB2 0.01 0.04 0.16 -0.04 3.95 4.12 2zyoA1 SER 205 HB3 0.01 0.08 0.15 -0.04 3.93 4.13 2zyoA1 PRO 206 HA 0.00 0.08 0.47 -0.51 4.44 4.49 2zyoA1 PRO 206 HB2 -0.00 0.06 0.03 -0.04 2.28 2.33 2zyoA1 PRO 206 HB3 -0.00 0.06 0.09 -0.04 2.02 2.12 2zyoA1 PRO 206 HG2 0.00 0.08 0.10 -0.04 2.03 2.17 2zyoA1 PRO 206 HG3 0.00 0.07 0.10 -0.04 2.03 2.16 2zyoA1 PRO 206 HD2 0.01 0.10 0.22 -0.04 3.68 3.97 2zyoA1 PRO 206 HD3 0.01 0.18 0.22 -0.04 3.65 4.02 2zyoA1 GLU 207 H 0.01 0.15 -0.19 -0.55 8.60 8.02 2zyoA1 GLU 207 HA -0.02 0.14 0.39 -0.75 4.29 4.06 2zyoA1 GLU 207 HB2 0.03 -0.09 -0.10 -0.04 2.09 1.88 2zyoA1 GLU 207 HB3 0.01 0.01 -0.41 -0.04 1.99 1.56 2zyoA1 GLU 207 HG2 0.00 0.14 -0.08 -0.04 2.34 2.36 2zyoA1 GLU 207 HG3 -0.01 0.06 0.03 -0.04 2.34 2.39 2zyoA1 ALA 208 H 0.05 0.11 -0.36 -0.55 8.40 7.65 2zyoA1 ALA 208 HA 0.27 0.03 0.38 -0.75 4.34 4.26 2zyoA1 ALA 208 HB3 0.14 0.09 -0.05 -0.04 1.41 1.55 2zyoA1 VAL 209 H 0.03 0.48 -0.28 -0.55 8.24 7.92 2zyoA1 VAL 209 HA 0.01 -0.00 0.35 -0.75 4.13 3.74 2zyoA1 VAL 209 HB -0.01 0.17 0.11 -0.04 2.12 2.36 2zyoA1 VAL 209 HG13 -0.01 -0.03 -0.12 -0.04 0.97 0.77 2zyoA1 VAL 209 HG23 0.01 0.04 -0.12 -0.04 0.95 0.85 2zyoA1 GLN 210 H -0.04 0.51 -0.20 -0.55 8.47 8.19 2zyoA1 GLN 210 HA -0.08 -0.01 0.41 -0.75 4.36 3.93 2zyoA1 GLN 210 HB2 -0.08 0.18 0.15 -0.04 2.15 2.36 2zyoA1 GLN 210 HB3 -0.09 -0.03 0.05 -0.04 2.02 1.91 2zyoA1 GLN 210 HG2 -0.03 0.27 0.08 -0.04 2.40 2.67 2zyoA1 GLN 210 HG3 -0.04 -0.00 0.01 -0.04 2.39 2.32 2zyoA1 GLN 210 HE21 -0.04 -0.02 -0.00 -0.04 6.97 6.87 2zyoA1 GLN 210 HE22 -0.05 0.02 0.02 -0.04 7.69 7.64 2zyoA1 GLY 211 H -0.20 0.41 -0.24 -0.55 8.43 7.85 2zyoA1 GLY 211 HA2 -0.47 0.13 0.39 -0.51 4.01 3.56 2zyoA1 GLY 211 HA3 -0.92 0.01 0.22 -0.51 4.01 2.81 2zyoA1 MET 212 H -0.31 0.64 -0.05 -0.55 8.47 8.21 2zyoA1 MET 212 HA -0.19 -0.01 0.46 -0.75 4.52 4.03 2zyoA1 MET 212 HB2 0.13 0.05 0.09 -0.04 2.15 2.37 2zyoA1 MET 212 HB3 -0.01 0.05 0.10 -0.04 2.03 2.14 2zyoA1 MET 212 HG2 0.02 0.01 0.03 -0.04 2.63 2.66 2zyoA1 MET 212 HG3 0.00 -0.04 -0.02 -0.04 2.56 2.46 2zyoA1 MET 212 HE3 -0.15 0.00 -0.22 -0.04 2.10 1.70 2zyoA1 ASN 213 H -0.12 0.53 -0.28 -0.55 8.53 8.12 2zyoA1 ASN 213 HA -0.01 0.00 0.56 -0.75 4.76 4.55 2zyoA1 ASN 213 HB2 -0.08 0.22 0.16 -0.04 2.88 3.13 2zyoA1 ASN 213 HB3 -0.05 -0.04 0.01 -0.04 2.79 2.67 2zyoA1 ASN 213 HD21 -0.02 -0.07 -0.07 -0.04 7.03 6.83 2zyoA1 ASN 213 HD22 -0.04 0.01 -0.02 -0.04 7.74 7.66 2zyoA1 GLU 214 H -0.14 0.41 -0.29 -0.55 8.60 8.04 2zyoA1 GLU 214 HA -0.08 0.03 0.54 -0.75 4.29 4.03 2zyoA1 GLU 214 HB2 -0.17 0.20 0.18 -0.04 2.09 2.26 2zyoA1 GLU 214 HB3 0.00 -0.08 0.01 -0.04 1.99 1.89 2zyoA1 GLU 214 HG2 -0.15 0.13 0.08 -0.04 2.34 2.36 2zyoA1 GLU 214 HG3 -0.23 0.02 0.06 -0.04 2.34 2.15 2zyoA1 VAL 215 H -0.01 0.39 -0.06 -0.55 8.24 8.01 2zyoA1 VAL 215 HA 0.41 -0.01 0.44 -0.75 4.13 4.22 2zyoA1 VAL 215 HB 0.07 0.12 0.20 -0.04 2.12 2.47 2zyoA1 VAL 215 HG13 0.32 0.03 -0.05 -0.04 0.97 1.22 2zyoA1 VAL 215 HG23 0.20 0.02 0.02 -0.04 0.95 1.14 2zyoA1 GLN 216 H 0.13 0.60 -0.16 -0.55 8.47 8.49 2zyoA1 GLN 216 HA 0.30 0.05 0.35 -0.75 4.36 4.30 2zyoA1 GLN 216 HB2 0.08 0.04 0.15 -0.04 2.15 2.38 2zyoA1 GLN 216 HB3 0.08 0.13 0.15 -0.04 2.02 2.34 2zyoA1 GLN 216 HG2 0.11 -0.05 -0.09 -0.04 2.40 2.33 2zyoA1 GLN 216 HG3 0.11 0.10 0.05 -0.04 2.39 2.61 2zyoA1 GLN 216 HE21 0.04 -0.09 0.06 -0.04 6.97 6.93 2zyoA1 GLN 216 HE22 0.05 0.13 0.06 -0.04 7.69 7.90 2zyoA1 LYS 217 H 0.11 0.42 -0.31 -0.55 8.42 8.09 2zyoA1 LYS 217 HA 0.12 -0.02 0.43 -0.75 4.32 4.10 2zyoA1 LYS 217 HB2 -0.21 0.22 0.19 -0.04 1.87 2.04 2zyoA1 LYS 217 HB3 -0.19 -0.07 0.04 -0.04 1.79 1.53 2zyoA1 LYS 217 HG2 -0.03 -0.05 0.05 -0.04 1.46 1.39 2zyoA1 LYS 217 HG3 -0.03 0.14 0.11 -0.04 1.46 1.64 2zyoA1 LYS 217 HD2 -0.12 -0.03 -0.02 -0.04 1.69 1.47 2zyoA1 LYS 217 HD3 -0.22 -0.00 0.02 -0.04 1.68 1.43 2zyoA1 LYS 217 HE2 -0.85 0.00 -0.01 -0.04 2.99 2.10 2zyoA1 LYS 217 HE3 -0.18 -0.01 -0.01 -0.04 2.99 2.76 2zyoA1 TRP 218 H 0.43 0.48 -0.29 -0.55 7.97 8.04 2zyoA1 TRP 218 HA 0.25 0.00 0.48 -0.75 4.62 4.60 2zyoA1 TRP 218 HB2 -0.08 0.30 0.16 -0.04 3.23 3.57 2zyoA1 TRP 218 HB3 -0.36 -0.07 0.04 -0.04 3.23 2.80 2zyoA1 TRP 218 HD1 0.23 0.19 -0.04 -0.04 7.22 7.56 2zyoA1 TRP 218 HE1 0.55 -0.05 -0.09 -0.04 10.20 10.57 2zyoA1 TRP 218 HE3 0.04 0.04 0.05 -0.04 7.59 7.68 2zyoA1 TRP 218 HZ2 0.46 -0.03 -0.12 -0.04 7.44 7.71 2zyoA1 TRP 218 HZ3 0.15 0.15 -0.03 -0.04 7.13 7.35 2zyoA1 TRP 218 HH2 0.20 0.01 -0.14 -0.04 7.19 7.22 2zyoA1 PHE 219 H 0.38 0.42 -0.28 -0.55 8.34 8.31 2zyoA1 PHE 219 HA 0.17 0.09 0.82 -0.75 4.62 4.95 2zyoA1 PHE 219 HB2 0.13 0.09 0.17 -0.04 3.15 3.50 2zyoA1 PHE 219 HB3 0.11 0.12 0.10 -0.04 3.06 3.35 2zyoA1 PHE 219 HD2 0.14 0.19 -0.12 -0.04 7.28 7.44 2zyoA1 PHE 219 HE2 0.07 0.13 -0.22 -0.04 7.38 7.32 2zyoA1 PHE 219 HZ -0.01 -0.23 -0.35 -0.04 7.32 6.70 2zyoA1 THR 220 H 0.24 0.43 0.18 -0.55 8.28 8.59 2zyoA1 THR 220 HA 0.13 0.16 0.61 -0.75 4.39 4.53 2zyoA1 THR 220 HB 0.08 -0.03 0.06 -0.04 4.32 4.40 2zyoA1 THR 220 HG23 0.12 0.02 0.02 -0.04 1.22 1.35 2zyoA1 GLU 221 H 0.13 0.41 0.06 -0.55 8.60 8.66 2zyoA1 GLU 221 HA 0.03 0.23 1.02 -0.75 4.29 4.81 2zyoA1 GLU 221 HB2 0.24 0.09 0.15 -0.04 2.09 2.53 2zyoA1 GLU 221 HB3 0.05 -0.02 0.04 -0.04 1.99 2.02 2zyoA1 GLU 221 HG2 0.06 0.06 -0.04 -0.04 2.34 2.37 2zyoA1 GLU 221 HG3 0.09 -0.08 -0.12 -0.04 2.34 2.19 2zyoA1 ALA 222 H -0.00 0.26 0.06 -0.55 8.40 8.18 2zyoA1 ALA 222 HA -0.25 0.21 0.64 -0.75 4.34 4.19 2zyoA1 ALA 222 HB3 -0.44 -0.01 0.13 -0.04 1.41 1.04 2zyoA1 ARG 223 H 0.05 0.01 -0.53 -0.55 8.46 7.44 2zyoA1 ARG 223 HA 0.11 0.17 0.23 -0.75 4.34 4.09 2zyoA1 ARG 223 HB2 0.04 0.14 -0.28 -0.04 1.90 1.76 2zyoA1 ARG 223 HB3 0.06 -0.11 0.11 -0.04 1.80 1.82 2zyoA1 ARG 223 HG2 0.04 -0.01 -0.07 -0.04 1.67 1.59 2zyoA1 ARG 223 HG3 0.00 0.09 -0.31 -0.04 1.67 1.41 2zyoA1 ARG 223 HD2 -0.00 -0.13 0.01 -0.04 3.22 3.06 2zyoA1 ARG 223 HD3 -0.01 -0.04 0.00 -0.04 3.22 3.13 2zyoA1 LEU 224 H 0.06 0.37 -0.07 -0.55 8.37 8.18 2zyoA1 LEU 224 HA 0.15 0.08 0.57 -0.75 4.35 4.40 2zyoA1 LEU 224 HB2 -0.59 -0.03 -0.07 -0.04 1.64 0.92 2zyoA1 LEU 224 HB3 -0.20 -0.06 0.02 -0.04 1.64 1.36 2zyoA1 LEU 224 HG 0.19 0.19 0.05 -0.04 1.64 2.03 2zyoA1 LEU 224 HD13 -0.43 -0.05 0.04 -0.04 0.93 0.45 2zyoA1 LEU 224 HD23 0.11 0.04 0.11 -0.04 0.89 1.11 2zyoA1 PRO 225 HA 0.17 0.09 0.49 -0.51 4.44 4.67 2zyoA1 PRO 225 HB2 0.09 -0.16 0.07 -0.04 2.28 2.24 2zyoA1 PRO 225 HB3 0.11 0.05 0.07 -0.04 2.02 2.20 2zyoA1 PRO 225 HG2 0.03 -0.03 0.07 -0.04 2.03 2.05 2zyoA1 PRO 225 HG3 0.20 0.13 0.11 -0.04 2.03 2.42 2zyoA1 PRO 225 HD2 -0.06 -0.01 0.21 -0.04 3.68 3.78 2zyoA1 PRO 225 HD3 0.12 0.26 0.26 -0.04 3.65 4.25 2zyoA1 GLN 226 H 0.15 0.17 0.17 -0.55 8.47 8.41 2zyoA1 GLN 226 HA 0.17 0.12 0.16 -0.75 4.36 4.06 2zyoA1 GLN 226 HB2 0.06 -0.06 0.07 -0.04 2.15 2.18 2zyoA1 GLN 226 HB3 -0.04 -0.01 -0.04 -0.04 2.02 1.88 2zyoA1 GLN 226 HG2 0.14 0.13 0.04 -0.04 2.40 2.67 2zyoA1 GLN 226 HG3 0.24 0.06 0.09 -0.04 2.39 2.74 2zyoA1 GLN 226 HE21 0.09 -0.05 0.02 -0.04 6.97 6.99 2zyoA1 GLN 226 HE22 0.15 0.07 0.03 -0.04 7.69 7.91 2zyoA1 SER 227 H 0.09 0.02 -0.49 -0.55 8.46 7.53 2zyoA1 SER 227 HA 0.01 0.21 0.72 -0.75 4.49 4.68 2zyoA1 SER 227 HB2 0.03 -0.03 0.02 -0.04 3.95 3.93 2zyoA1 SER 227 HB3 0.02 -0.02 0.14 -0.04 3.93 4.03 2zyoA1 LEU 228 H 0.10 0.36 -0.14 -0.55 8.37 8.15 2zyoA1 LEU 228 HA 0.03 0.02 0.33 -0.75 4.35 3.98 2zyoA1 LEU 228 HB2 -0.01 -0.08 0.07 -0.04 1.64 1.58 2zyoA1 LEU 228 HB3 0.04 0.12 0.10 -0.04 1.64 1.86 2zyoA1 LEU 228 HG 0.12 0.01 -0.00 -0.04 1.64 1.72 2zyoA1 LEU 228 HD13 -0.07 -0.09 -0.27 -0.04 0.93 0.45 2zyoA1 LEU 228 HD23 -0.06 0.04 0.05 -0.04 0.89 0.88 2zyoA1 LYS 229 H 0.00 0.09 0.21 -0.55 8.42 8.16 2zyoA1 LYS 229 HA -0.01 0.24 0.70 -0.75 4.32 4.49 2zyoA1 LYS 229 HB2 0.01 0.01 0.07 -0.04 1.87 1.91 2zyoA1 LYS 229 HB3 -0.00 -0.16 0.17 -0.04 1.79 1.75 2zyoA1 LYS 229 HG2 0.00 0.27 -0.18 -0.04 1.46 1.51 2zyoA1 LYS 229 HG3 0.00 0.07 -0.05 -0.04 1.46 1.44 2zyoA1 LYS 229 HD2 -0.01 0.07 0.01 -0.04 1.69 1.72 2zyoA1 LYS 229 HD3 -0.01 -0.08 0.06 -0.04 1.68 1.61 2zyoA1 LYS 229 HE2 -0.01 -0.02 0.05 -0.04 2.99 2.96 2zyoA1 LYS 229 HE3 -0.01 -0.16 0.14 -0.04 2.99 2.92 2zyoA1 ALA 230 H -0.01 0.23 0.15 -0.55 8.40 8.23 2zyoA1 ALA 230 HA -0.01 0.07 0.42 -0.75 4.34 4.07 2zyoA1 ALA 230 HB3 0.03 0.03 0.11 -0.04 1.41 1.54 2zyoA1 ASP 231 H 0.02 0.11 -0.17 -0.55 8.40 7.81 2zyoA1 ASP 231 HA 0.06 0.09 0.38 -0.75 4.63 4.41 2zyoA1 ASP 231 HB2 0.03 0.00 0.07 -0.04 2.71 2.76 2zyoA1 ASP 231 HB3 0.03 0.03 -0.02 -0.04 2.70 2.70 2zyoA1 THR 232 H 0.02 0.07 -0.29 -0.55 8.28 7.53 2zyoA1 THR 232 HA 0.04 0.13 0.47 -0.75 4.39 4.27 2zyoA1 THR 232 HB -0.01 0.08 0.10 -0.04 4.32 4.44 2zyoA1 THR 232 HG23 0.01 0.04 -0.02 -0.04 1.22 1.21 2zyoA1 VAL 233 H 0.00 0.27 -0.17 -0.55 8.24 7.80 2zyoA1 VAL 233 HA -0.01 0.10 0.29 -0.75 4.13 3.76 2zyoA1 VAL 233 HB 0.03 0.06 0.12 -0.04 2.12 2.28 2zyoA1 VAL 233 HG13 0.03 0.02 -0.16 -0.04 0.97 0.82 2zyoA1 VAL 233 HG23 -0.09 -0.01 -0.19 -0.04 0.95 0.62 2zyoA1 ASN 234 H 0.11 0.52 -0.01 -0.55 8.53 8.60 2zyoA1 ASN 234 HA 0.38 0.06 0.37 -0.75 4.76 4.81 2zyoA1 ASN 234 HB2 0.15 -0.03 0.09 -0.04 2.88 3.05 2zyoA1 ASN 234 HB3 0.26 0.03 -0.02 -0.04 2.79 3.02 2zyoA1 ASN 234 HD21 0.16 -0.10 -0.04 -0.04 7.03 7.01 2zyoA1 ASN 234 HD22 0.11 -0.04 -0.13 -0.04 7.74 7.64 2zyoA1 GLY 235 H 0.11 0.58 -0.10 -0.55 8.43 8.47 2zyoA1 GLY 235 HA2 0.10 0.01 0.37 -0.51 4.01 3.98 2zyoA1 GLY 235 HA3 0.08 0.09 0.31 -0.51 4.01 3.98 2zyoA1 LEU 236 H 0.09 0.44 -0.23 -0.55 8.37 8.12 2zyoA1 LEU 236 HA 0.08 0.09 0.43 -0.75 4.35 4.19 2zyoA1 LEU 236 HB2 0.07 0.07 0.08 -0.04 1.64 1.82 2zyoA1 LEU 236 HB3 0.15 0.03 -0.07 -0.04 1.64 1.70 2zyoA1 LEU 236 HG 0.08 -0.03 0.07 -0.04 1.64 1.72 2zyoA1 LEU 236 HD13 0.16 -0.02 -0.06 -0.04 0.93 0.97 2zyoA1 LEU 236 HD23 0.11 0.05 0.02 -0.04 0.89 1.03 2zyoA1 PHE 237 H 0.18 0.46 -0.19 -0.55 8.34 8.24 2zyoA1 PHE 237 HA -0.06 0.03 0.52 -0.75 4.62 4.36 2zyoA1 PHE 237 HB2 -0.13 0.03 0.04 -0.04 3.15 3.05 2zyoA1 PHE 237 HB3 -0.32 0.01 0.08 -0.04 3.06 2.79 2zyoA1 PHE 237 HD2 -0.83 -0.02 -0.20 -0.04 7.28 6.19 2zyoA1 PHE 237 HE2 -0.24 0.02 -0.23 -0.04 7.38 6.89 2zyoA1 PHE 237 HZ -0.13 0.01 -0.56 -0.04 7.32 6.60 2zyoA1 LYS 238 H 0.12 0.57 -0.12 -0.55 8.42 8.44 2zyoA1 LYS 238 HA -0.07 0.03 0.43 -0.75 4.32 3.95 2zyoA1 LYS 238 HB2 0.11 0.09 0.12 -0.04 1.87 2.15 2zyoA1 LYS 238 HB3 0.07 -0.01 0.07 -0.04 1.79 1.88 2zyoA1 LYS 238 HG2 0.30 -0.02 0.01 -0.04 1.46 1.71 2zyoA1 LYS 238 HG3 0.38 0.07 0.02 -0.04 1.46 1.89 2zyoA1 LYS 238 HD2 0.14 0.03 -0.03 -0.04 1.69 1.78 2zyoA1 LYS 238 HD3 0.24 -0.08 -0.21 -0.04 1.68 1.59 2zyoA1 LYS 238 HE2 0.22 -0.11 -0.28 -0.04 2.99 2.78 2zyoA1 LYS 238 HE3 0.13 0.07 -0.14 -0.04 2.99 3.02 2zyoA1 SER 239 H -0.00 0.21 -0.54 -0.55 8.46 7.58 2zyoA1 SER 239 HA -0.01 0.05 0.48 -0.75 4.49 4.26 2zyoA1 SER 239 HB2 0.01 -0.06 0.12 -0.04 3.95 3.99 2zyoA1 SER 239 HB3 0.03 0.07 0.14 -0.04 3.93 4.12 2zyoA1 GLY 240 H -0.18 0.39 -0.46 -0.55 8.43 7.64 2zyoA1 GLY 240 HA2 -0.22 0.01 0.28 -0.51 4.01 3.57 2zyoA1 GLY 240 HA3 -0.10 0.08 0.47 -0.51 4.01 3.95 2zyoA1 LYS 241 H -0.04 0.24 -0.14 -0.55 8.42 7.93 2zyoA1 LYS 241 HA -0.00 0.20 0.88 -0.75 4.32 4.65 2zyoA1 LYS 241 HB2 0.04 0.09 0.10 -0.04 1.87 2.05 2zyoA1 LYS 241 HB3 0.02 -0.07 0.25 -0.04 1.79 1.95 2zyoA1 LYS 241 HG2 -0.01 -0.02 -0.07 -0.04 1.46 1.32 2zyoA1 LYS 241 HG3 -0.01 0.09 -0.28 -0.04 1.46 1.22 2zyoA1 LYS 241 HD2 0.00 0.09 -0.04 -0.04 1.69 1.70 2zyoA1 LYS 241 HD3 -0.00 -0.07 -0.02 -0.04 1.68 1.54 2zyoA1 LYS 241 HE2 0.01 -0.07 0.01 -0.04 2.99 2.90 2zyoA1 LYS 241 HE3 0.01 0.03 -0.01 -0.04 2.99 2.97 2zyoA1 VAL 242 H -0.04 0.18 -0.11 -0.55 8.24 7.72 2zyoA1 VAL 242 HA 0.19 0.33 0.94 -0.75 4.13 4.83 2zyoA1 VAL 242 HB 0.28 -0.06 -0.05 -0.04 2.12 2.25 2zyoA1 VAL 242 HG13 0.26 -0.04 -0.33 -0.04 0.97 0.82 2zyoA1 VAL 242 HG23 0.21 0.01 -0.37 -0.04 0.95 0.76 2zyoA1 ALA 243 H 0.21 0.55 0.20 -0.55 8.40 8.81 2zyoA1 ALA 243 HA 0.17 -0.01 0.44 -0.75 4.34 4.19 2zyoA1 ALA 243 HB3 0.28 0.06 0.11 -0.04 1.41 1.82 2zyoA1 ALA 244 H 0.26 0.34 0.01 -0.55 8.40 8.46 2zyoA1 ALA 244 HA 0.20 0.24 0.97 -0.75 4.34 4.99 2zyoA1 ALA 244 HB3 0.08 0.00 -0.07 -0.04 1.41 1.38 2zyoA1 VAL 245 H -0.14 0.84 0.38 -0.55 8.24 8.77 2zyoA1 VAL 245 HA 0.02 0.25 0.85 -0.75 4.13 4.50 2zyoA1 VAL 245 HB -0.04 -0.06 0.12 -0.04 2.12 2.09 2zyoA1 VAL 245 HG13 -0.12 0.02 -0.15 -0.04 0.97 0.69 2zyoA1 VAL 245 HG23 -0.39 -0.01 -0.13 -0.04 0.95 0.38 2zyoA1 ILE 246 H 0.02 0.20 0.15 -0.55 8.25 8.07 2zyoA1 ILE 246 HA -0.09 0.40 1.01 -0.75 4.18 4.74 2zyoA1 ILE 246 HB -0.41 -0.12 0.12 -0.04 1.89 1.45 2zyoA1 ILE 246 HG12 -0.29 0.08 -0.13 -0.04 1.49 1.10 2zyoA1 ILE 246 HG13 -0.32 -0.03 -0.27 -0.04 1.21 0.54 2zyoA1 ILE 246 HG23 -0.12 -0.00 -0.12 -0.04 0.93 0.64 2zyoA1 ILE 246 HD13 -0.91 -0.00 -0.12 -0.04 0.88 -0.20 2zyoA1 ASN 247 H 0.03 0.61 0.30 -0.55 8.53 8.93 2zyoA1 ASN 247 HA 0.43 0.03 0.64 -0.75 4.76 5.10 2zyoA1 ASN 247 HB2 0.11 0.03 -0.39 -0.04 2.88 2.59 2zyoA1 ASN 247 HB3 0.02 0.10 -0.09 -0.04 2.79 2.78 2zyoA1 ASN 247 HD21 0.29 -0.05 0.00 -0.04 7.03 7.24 2zyoA1 ASN 247 HD22 0.21 0.08 -0.06 -0.04 7.74 7.94 2zyoA1 GLY 248 H -0.69 0.05 0.15 -0.55 8.43 7.40 2zyoA1 GLY 248 HA2 -0.60 0.39 0.77 -0.51 4.01 4.07 2zyoA1 GLY 248 HA3 -2.58 -0.03 0.28 -0.51 4.01 1.16 2zyoA1 PRO 249 HA -0.79 0.15 0.43 -0.51 4.44 3.71 2zyoA1 PRO 249 HB2 -0.36 0.07 0.05 -0.04 2.28 2.01 2zyoA1 PRO 249 HB3 -1.01 0.15 0.21 -0.04 2.02 1.33 2zyoA1 PRO 249 HG2 -0.23 -0.04 0.11 -0.04 2.03 1.83 2zyoA1 PRO 249 HG3 -0.44 0.11 0.21 -0.04 2.03 1.87 2zyoA1 PRO 249 HD2 -0.94 -0.01 0.21 -0.04 3.68 2.90 2zyoA1 PRO 249 HD3 -1.18 0.39 0.30 -0.04 3.65 3.13 2zyoA1 TRP 250 H -0.67 0.06 -0.36 -0.55 7.97 6.44 2zyoA1 TRP 250 HA -0.11 0.12 0.38 -0.75 4.62 4.26 2zyoA1 TRP 250 HB2 -0.09 0.03 0.04 -0.04 3.23 3.17 2zyoA1 TRP 250 HB3 -0.10 0.01 0.05 -0.04 3.23 3.15 2zyoA1 TRP 250 HD1 -0.06 0.06 -0.25 -0.04 7.22 6.92 2zyoA1 TRP 250 HE1 0.12 0.02 0.01 -0.04 10.20 10.30 2zyoA1 TRP 250 HE3 -0.11 0.04 -0.02 -0.04 7.59 7.46 2zyoA1 TRP 250 HZ2 0.15 0.02 0.00 -0.04 7.44 7.58 2zyoA1 TRP 250 HZ3 -0.02 0.03 -0.10 -0.04 7.13 6.99 2zyoA1 TRP 250 HH2 0.20 0.04 -0.12 -0.04 7.19 7.27 2zyoA1 ALA 251 H -0.54 0.40 -0.37 -0.55 8.40 7.34 2zyoA1 ALA 251 HA -0.17 0.14 0.71 -0.75 4.34 4.26 2zyoA1 ALA 251 HB3 -0.51 0.03 0.02 -0.04 1.41 0.90 2zyoA1 ILE 252 H -0.21 0.40 -0.18 -0.55 8.25 7.71 2zyoA1 ILE 252 HA -0.03 0.07 0.26 -0.75 4.18 3.74 2zyoA1 ILE 252 HB -0.04 0.13 0.21 -0.04 1.89 2.14 2zyoA1 ILE 252 HG12 -0.05 -0.10 0.10 -0.04 1.49 1.39 2zyoA1 ILE 252 HG13 0.24 0.14 0.09 -0.04 1.21 1.64 2zyoA1 ILE 252 HG23 0.07 0.02 -0.11 -0.04 0.93 0.86 2zyoA1 ILE 252 HD13 0.22 -0.01 -0.08 -0.04 0.88 0.98 2zyoA1 LYS 253 H -0.05 0.19 -0.06 -0.55 8.42 7.95 2zyoA1 LYS 253 HA 0.02 0.10 0.39 -0.75 4.32 4.07 2zyoA1 LYS 253 HB2 -0.01 -0.01 0.07 -0.04 1.87 1.87 2zyoA1 LYS 253 HB3 0.00 0.03 0.01 -0.04 1.79 1.80 2zyoA1 LYS 253 HG2 -0.00 0.04 0.04 -0.04 1.46 1.50 2zyoA1 LYS 253 HG3 -0.01 0.01 0.06 -0.04 1.46 1.48 2zyoA1 LYS 253 HD2 -0.01 0.08 0.02 -0.04 1.69 1.74 2zyoA1 LYS 253 HD3 -0.00 -0.05 0.02 -0.04 1.68 1.61 2zyoA1 LYS 253 HE2 -0.01 -0.03 0.01 -0.04 2.99 2.92 2zyoA1 LYS 253 HE3 0.00 -0.02 0.01 -0.04 2.99 2.94 2zyoA1 ASP 254 H -0.06 0.10 -0.36 -0.55 8.40 7.54 2zyoA1 ASP 254 HA 0.04 0.07 0.48 -0.75 4.63 4.46 2zyoA1 ASP 254 HB2 -0.02 -0.04 0.07 -0.04 2.71 2.68 2zyoA1 ASP 254 HB3 -0.11 0.13 0.07 -0.04 2.70 2.75 2zyoA1 TYR 255 H -0.03 0.45 -0.07 -0.55 8.29 8.09 2zyoA1 TYR 255 HA 0.13 0.05 0.43 -0.75 4.56 4.42 2zyoA1 TYR 255 HB2 0.13 0.09 0.12 -0.04 3.06 3.36 2zyoA1 TYR 255 HB3 0.28 -0.00 -0.06 -0.04 2.98 3.16 2zyoA1 TYR 255 HD2 0.13 0.00 -0.12 -0.04 7.15 7.11 2zyoA1 TYR 255 HE2 -0.06 -0.05 -0.07 -0.04 6.85 6.63 2zyoA1 GLN 256 H 0.15 0.52 -0.07 -0.55 8.47 8.52 2zyoA1 GLN 256 HA 0.09 0.21 0.55 -0.75 4.36 4.45 2zyoA1 GLN 256 HB2 0.06 0.02 0.14 -0.04 2.15 2.33 2zyoA1 GLN 256 HB3 0.05 -0.02 0.04 -0.04 2.02 2.04 2zyoA1 GLN 256 HG2 0.07 0.05 0.08 -0.04 2.40 2.57 2zyoA1 GLN 256 HG3 0.11 0.08 0.07 -0.04 2.39 2.60 2zyoA1 GLN 256 HE21 0.03 -0.03 0.00 -0.04 6.97 6.93 2zyoA1 GLN 256 HE22 0.04 0.00 0.04 -0.04 7.69 7.73 2zyoA1 ALA 257 H 0.07 0.46 -0.11 -0.55 8.40 8.27 2zyoA1 ALA 257 HA 0.03 0.02 0.50 -0.75 4.34 4.14 2zyoA1 ALA 257 HB3 0.04 0.00 0.13 -0.04 1.41 1.54 2zyoA1 ALA 258 H 0.09 0.26 -0.45 -0.55 8.40 7.76 2zyoA1 ALA 258 HA 0.04 0.04 0.55 -0.75 4.34 4.22 2zyoA1 ALA 258 HB3 0.08 0.04 0.16 -0.04 1.41 1.65 2zyoA1 GLY 259 H 0.04 0.30 -0.42 -0.55 8.43 7.81 2zyoA1 GLY 259 HA2 0.01 0.02 0.25 -0.51 4.01 3.78 2zyoA1 GLY 259 HA3 0.00 0.10 0.64 -0.51 4.01 4.24 2zyoA1 ILE 260 H 0.02 0.34 0.05 -0.55 8.25 8.11 2zyoA1 ILE 260 HA -0.08 0.07 0.63 -0.75 4.18 4.05 2zyoA1 ILE 260 HB 0.03 -0.05 -0.07 -0.04 1.89 1.76 2zyoA1 ILE 260 HG12 -0.07 0.06 -0.02 -0.04 1.49 1.42 2zyoA1 ILE 260 HG13 -0.41 -0.03 -0.08 -0.04 1.21 0.65 2zyoA1 ILE 260 HG23 -0.29 -0.02 -0.21 -0.04 0.93 0.37 2zyoA1 ILE 260 HD13 -0.23 0.03 -0.10 -0.04 0.88 0.54 2zyoA1 ASN 261 H -0.04 0.15 0.18 -0.55 8.53 8.27 2zyoA1 ASN 261 HA -0.00 0.11 0.76 -0.75 4.76 4.87 2zyoA1 ASN 261 HB2 -0.01 0.08 0.13 -0.04 2.88 3.03 2zyoA1 ASN 261 HB3 -0.02 -0.13 0.23 -0.04 2.79 2.83 2zyoA1 ASN 261 HD21 -0.00 0.01 -0.02 -0.04 7.03 6.97 2zyoA1 ASN 261 HD22 -0.00 -0.01 -0.01 -0.04 7.74 7.68 2zyoA1 VAL 262 H 0.01 0.18 0.12 -0.55 8.24 8.00 2zyoA1 VAL 262 HA -0.01 0.25 0.54 -0.75 4.13 4.15 2zyoA1 VAL 262 HB 0.05 -0.05 0.08 -0.04 2.12 2.15 2zyoA1 VAL 262 HG13 0.05 -0.02 -0.16 -0.04 0.97 0.80 2zyoA1 VAL 262 HG23 0.22 0.06 -0.18 -0.04 0.95 1.01 2zyoA1 GLY 263 H -0.47 0.70 0.44 -0.55 8.43 8.55 2zyoA1 GLY 263 HA2 -0.33 0.20 0.86 -0.51 4.01 4.24 2zyoA1 GLY 263 HA3 -1.18 0.04 0.38 -0.51 4.01 2.74 2zyoA1 VAL 264 H -0.19 0.34 0.24 -0.55 8.24 8.08 2zyoA1 VAL 264 HA -0.18 0.35 0.95 -0.75 4.13 4.49 2zyoA1 VAL 264 HB -0.33 -0.10 -0.02 -0.04 2.12 1.63 2zyoA1 VAL 264 HG13 -1.15 -0.02 -0.32 -0.04 0.97 -0.56 2zyoA1 VAL 264 HG23 -0.27 0.02 -0.23 -0.04 0.95 0.44 2zyoA1 ALA 265 H -0.04 0.71 0.27 -0.55 8.40 8.79 2zyoA1 ALA 265 HA -0.05 0.13 0.86 -0.75 4.34 4.53 2zyoA1 ALA 265 HB3 -0.00 0.02 0.00 -0.04 1.41 1.39 2zyoA1 PRO 266 HA -0.09 0.03 0.58 -0.51 4.44 4.44 2zyoA1 PRO 266 HB2 -0.05 0.12 -0.11 -0.04 2.28 2.21 2zyoA1 PRO 266 HB3 -0.05 0.03 0.03 -0.04 2.02 1.99 2zyoA1 PRO 266 HG2 -0.04 0.05 0.02 -0.04 2.03 2.02 2zyoA1 PRO 266 HG3 -0.04 0.01 0.05 -0.04 2.03 2.01 2zyoA1 PRO 266 HD2 -0.05 0.11 0.17 -0.04 3.68 3.88 2zyoA1 PRO 266 HD3 -0.05 0.10 0.21 -0.04 3.65 3.86 2zyoA1 LEU 267 H -0.13 0.07 0.12 -0.55 8.37 7.89 2zyoA1 LEU 267 HA -0.15 0.08 0.43 -0.75 4.35 3.96 2zyoA1 LEU 267 HB2 -0.24 -0.03 0.01 -0.04 1.64 1.34 2zyoA1 LEU 267 HB3 -0.35 0.06 -0.04 -0.04 1.64 1.27 2zyoA1 LEU 267 HG -0.26 -0.01 -0.04 -0.04 1.64 1.29 2zyoA1 LEU 267 HD13 -0.97 -0.01 -0.13 -0.04 0.93 -0.23 2zyoA1 LEU 267 HD23 -0.34 0.00 -0.19 -0.04 0.89 0.32 2zyoA1 PRO 268 HA -0.01 0.13 0.28 -0.51 4.44 4.33 2zyoA1 PRO 268 HB2 0.11 -0.15 -0.58 -0.04 2.28 1.62 2zyoA1 PRO 268 HB3 0.02 0.02 -0.60 -0.04 2.02 1.41 2zyoA1 PRO 268 HG2 0.02 -0.07 -0.11 -0.04 2.03 1.82 2zyoA1 PRO 268 HG3 -0.05 0.29 -0.06 -0.04 2.03 2.17 2zyoA1 PRO 268 HD2 -0.02 -0.00 0.05 -0.04 3.68 3.67 2zyoA1 PRO 268 HD3 -0.08 0.16 0.13 -0.04 3.65 3.82 2zyoA1 LYS 269 H 0.02 0.28 0.11 -0.55 8.42 8.28 2zyoA1 LYS 269 HA 0.03 0.14 0.45 -0.75 4.32 4.18 2zyoA1 LYS 269 HB2 0.02 -0.02 0.11 -0.04 1.87 1.95 2zyoA1 LYS 269 HB3 0.02 -0.02 -0.21 -0.04 1.79 1.55 2zyoA1 LYS 269 HG2 0.01 0.00 -0.19 -0.04 1.46 1.23 2zyoA1 LYS 269 HG3 0.00 0.03 0.03 -0.04 1.46 1.48 2zyoA1 LYS 269 HD2 0.00 -0.01 -0.06 -0.04 1.69 1.58 2zyoA1 LYS 269 HD3 0.01 0.04 -0.24 -0.04 1.68 1.44 2zyoA1 LYS 269 HE2 -0.00 -0.03 -0.08 -0.04 2.99 2.84 2zyoA1 LYS 269 HE3 -0.00 0.02 -0.03 -0.04 2.99 2.93 2zyoA1 ILE 270 H 0.04 0.72 0.21 -0.55 8.25 8.67 2zyoA1 ILE 270 HA 0.11 -0.08 0.94 -0.75 4.18 4.39 2zyoA1 ILE 270 HB 0.09 0.05 -0.10 -0.04 1.89 1.89 2zyoA1 ILE 270 HG12 -0.13 0.08 -0.18 -0.04 1.49 1.22 2zyoA1 ILE 270 HG13 -0.13 -0.15 0.06 -0.04 1.21 0.95 2zyoA1 ILE 270 HG23 0.05 0.03 -0.03 -0.04 0.93 0.94 2zyoA1 ILE 270 HD13 -0.62 0.02 -0.06 -0.04 0.88 0.17 2zyoA1 ASP 271 H 0.03 0.08 0.14 -0.55 8.40 8.11 2zyoA1 ASP 271 HA 0.00 0.00 0.33 -0.75 4.63 4.21 2zyoA1 ASP 271 HB2 -0.03 0.19 -0.04 -0.04 2.71 2.79 2zyoA1 ASP 271 HB3 -0.02 0.04 0.22 -0.04 2.70 2.90 2zyoA1 GLY 272 H 0.02 -0.02 -0.39 -0.55 8.43 7.49 2zyoA1 GLY 272 HA2 0.01 -0.04 0.20 -0.51 4.01 3.67 2zyoA1 GLY 272 HA3 0.01 0.11 0.33 -0.51 4.01 3.94 2zyoA1 LYS 273 H 0.01 0.46 -0.45 -0.55 8.42 7.88 2zyoA1 LYS 273 HA 0.01 0.15 0.92 -0.75 4.32 4.64 2zyoA1 LYS 273 HB2 -0.00 0.12 -0.02 -0.04 1.87 1.93 2zyoA1 LYS 273 HB3 0.00 0.02 0.08 -0.04 1.79 1.85 2zyoA1 LYS 273 HG2 0.00 -0.01 -0.06 -0.04 1.46 1.36 2zyoA1 LYS 273 HG3 -0.00 0.05 -0.21 -0.04 1.46 1.26 2zyoA1 LYS 273 HD2 0.00 -0.02 0.00 -0.04 1.69 1.63 2zyoA1 LYS 273 HD3 0.00 -0.05 -0.02 -0.04 1.68 1.57 2zyoA1 LYS 273 HE2 -0.01 0.04 0.01 -0.04 2.99 2.99 2zyoA1 LYS 273 HE3 -0.01 0.06 -0.02 -0.04 2.99 2.98 2zyoA1 ASP 274 H 0.00 0.12 0.12 -0.55 8.40 8.09 2zyoA1 ASP 274 HA 0.00 -0.00 0.51 -0.75 4.63 4.39 2zyoA1 ASP 274 HB2 0.01 0.00 0.08 -0.04 2.71 2.76 2zyoA1 ASP 274 HB3 -0.00 0.15 0.03 -0.04 2.70 2.83 2zyoA1 ALA 275 H -0.01 0.15 0.08 -0.55 8.40 8.07 2zyoA1 ALA 275 HA 0.04 0.05 0.53 -0.75 4.34 4.21 2zyoA1 ALA 275 HB3 -0.06 0.01 -0.03 -0.04 1.41 1.29 2zyoA1 GLN 276 H 0.03 0.12 0.11 -0.55 8.47 8.19 2zyoA1 GLN 276 HA 0.03 0.44 0.88 -0.75 4.36 4.96 2zyoA1 GLN 276 HB2 -0.05 -0.13 0.11 -0.04 2.15 2.04 2zyoA1 GLN 276 HB3 0.06 -0.01 -0.02 -0.04 2.02 2.01 2zyoA1 GLN 276 HG2 0.03 0.21 -0.07 -0.04 2.40 2.53 2zyoA1 GLN 276 HG3 0.00 0.08 -0.15 -0.04 2.39 2.28 2zyoA1 GLN 276 HE21 -0.01 -0.01 -0.06 -0.04 6.97 6.85 2zyoA1 GLN 276 HE22 -0.02 0.04 -0.11 -0.04 7.69 7.56 2zyoA1 THR 277 H 0.05 0.30 0.01 -0.55 8.28 8.09 2zyoA1 THR 277 HA 0.08 0.05 0.78 -0.75 4.39 4.55 2zyoA1 THR 277 HB 0.00 -0.02 0.13 -0.04 4.32 4.39 2zyoA1 THR 277 HG23 -0.06 0.01 -0.15 -0.04 1.22 0.98 2zyoA1 PHE 278 H -0.10 0.08 0.18 -0.55 8.34 7.94 2zyoA1 PHE 278 HA -0.05 0.32 0.77 -0.75 4.62 4.90 2zyoA1 PHE 278 HB2 -0.38 -0.04 0.17 -0.04 3.15 2.86 2zyoA1 PHE 278 HB3 0.03 -0.01 -0.01 -0.04 3.06 3.04 2zyoA1 PHE 278 HD2 -0.30 0.14 0.03 -0.04 7.28 7.11 2zyoA1 PHE 278 HE2 -0.48 -0.00 -0.04 -0.04 7.38 6.82 2zyoA1 PHE 278 HZ -0.46 -0.05 -0.01 -0.04 7.32 6.76 2zyoA1 ILE 279 H 0.25 0.56 0.21 -0.55 8.25 8.72 2zyoA1 ILE 279 HA 0.19 0.37 0.95 -0.75 4.18 4.94 2zyoA1 ILE 279 HB 0.10 -0.02 -0.00 -0.04 1.89 1.92 2zyoA1 ILE 279 HG12 0.11 0.01 -0.56 -0.04 1.49 1.00 2zyoA1 ILE 279 HG13 0.10 -0.15 -0.20 -0.04 1.21 0.92 2zyoA1 ILE 279 HG23 0.10 0.05 -0.14 -0.04 0.93 0.90 2zyoA1 ILE 279 HD13 0.02 0.03 -0.28 -0.04 0.88 0.61 2zyoA1 GLY 280 H 0.19 0.56 0.29 -0.55 8.43 8.93 2zyoA1 GLY 280 HA2 0.38 0.11 0.93 -0.51 4.01 4.93 2zyoA1 GLY 280 HA3 0.19 -0.03 0.33 -0.51 4.01 3.99 2zyoA1 VAL 281 H 0.52 0.14 0.20 -0.55 8.24 8.55 2zyoA1 VAL 281 HA 0.03 0.40 1.13 -0.75 4.13 4.93 2zyoA1 VAL 281 HB -0.15 -0.03 0.09 -0.04 2.12 1.99 2zyoA1 VAL 281 HG13 -0.06 0.05 -0.19 -0.04 0.97 0.73 2zyoA1 VAL 281 HG23 -0.09 0.01 -0.10 -0.04 0.95 0.73 2zyoA1 LYS 282 H -0.03 0.54 0.23 -0.55 8.42 8.60 2zyoA1 LYS 282 HA -0.04 0.17 0.82 -0.75 4.32 4.51 2zyoA1 LYS 282 HB2 -0.12 -0.01 0.12 -0.04 1.87 1.82 2zyoA1 LYS 282 HB3 -0.21 0.06 -0.07 -0.04 1.79 1.53 2zyoA1 LYS 282 HG2 -0.01 -0.03 -0.18 -0.04 1.46 1.20 2zyoA1 LYS 282 HG3 -0.01 -0.01 -0.19 -0.04 1.46 1.21 2zyoA1 LYS 282 HD2 -0.08 0.00 -0.10 -0.04 1.69 1.47 2zyoA1 LYS 282 HD3 -0.03 -0.04 -0.08 -0.04 1.68 1.48 2zyoA1 LYS 282 HE2 -0.03 0.01 -0.11 -0.04 2.99 2.83 2zyoA1 LYS 282 HE3 -0.10 0.05 -0.09 -0.04 2.99 2.81 2zyoA1 GLY 283 H -0.29 0.28 0.10 -0.55 8.43 7.98 2zyoA1 GLY 283 HA2 -0.40 0.10 0.98 -0.51 4.01 4.18 2zyoA1 GLY 283 HA3 -0.32 0.08 0.14 -0.51 4.01 3.40 2zyoA1 TRP 284 H -0.24 0.59 0.28 -0.55 7.97 8.06 2zyoA1 TRP 284 HA -0.53 0.24 0.96 -0.75 4.62 4.54 2zyoA1 TRP 284 HB2 -0.21 -0.02 0.18 -0.04 3.23 3.13 2zyoA1 TRP 284 HB3 -0.20 0.03 0.01 -0.04 3.23 3.03 2zyoA1 TRP 284 HD1 -0.13 0.09 -0.12 -0.04 7.22 7.02 2zyoA1 TRP 284 HE1 -0.05 0.07 -0.12 -0.04 10.20 10.07 2zyoA1 TRP 284 HE3 -0.20 0.17 -0.14 -0.04 7.59 7.39 2zyoA1 TRP 284 HZ2 0.01 -0.02 -0.08 -0.04 7.44 7.31 2zyoA1 TRP 284 HZ3 -0.01 0.20 -0.16 -0.04 7.13 7.12 2zyoA1 TRP 284 HH2 0.03 -0.06 -0.18 -0.04 7.19 6.95 2zyoA1 TYR 285 H -0.22 0.72 0.38 -0.55 8.29 8.62 2zyoA1 TYR 285 HA -0.03 0.40 1.04 -0.75 4.56 5.21 2zyoA1 TYR 285 HB2 -0.38 -0.12 -0.12 -0.04 3.06 2.41 2zyoA1 TYR 285 HB3 -0.12 0.09 0.05 -0.04 2.98 2.96 2zyoA1 TYR 285 HD2 -0.91 0.10 -0.31 -0.04 7.15 5.99 2zyoA1 TYR 285 HE2 -0.78 -0.05 -0.15 -0.04 6.85 5.83 2zyoA1 LEU 286 H 0.14 0.36 0.20 -0.55 8.37 8.52 2zyoA1 LEU 286 HA 0.01 0.24 1.00 -0.75 4.35 4.85 2zyoA1 LEU 286 HB2 0.02 -0.08 -0.04 -0.04 1.64 1.49 2zyoA1 LEU 286 HB3 0.05 0.19 0.12 -0.04 1.64 1.95 2zyoA1 LEU 286 HG 0.01 0.13 -0.19 -0.04 1.64 1.54 2zyoA1 LEU 286 HD13 -0.01 0.00 -0.00 -0.04 0.93 0.88 2zyoA1 LEU 286 HD23 -0.00 -0.00 -0.05 -0.04 0.89 0.80 2zyoA1 SER 287 H -0.01 0.55 0.24 -0.55 8.46 8.70 2zyoA1 SER 287 HA 0.09 0.14 0.52 -0.75 4.49 4.48 2zyoA1 SER 287 HB2 -0.02 -0.02 0.04 -0.04 3.95 3.92 2zyoA1 SER 287 HB3 -0.01 0.05 0.22 -0.04 3.93 4.15 2zyoA1 ALA 288 H 0.02 0.78 0.25 -0.55 8.40 8.90 2zyoA1 ALA 288 HA -0.08 0.05 0.35 -0.75 4.34 3.91 2zyoA1 ALA 288 HB3 -0.27 0.01 -0.27 -0.04 1.41 0.84 2zyoA1 TYR 289 H 0.09 -0.02 -0.42 -0.55 8.29 7.39 2zyoA1 TYR 289 HA -0.01 0.21 0.57 -0.75 4.56 4.57 2zyoA1 TYR 289 HB2 -0.02 -0.08 -0.03 -0.04 3.06 2.89 2zyoA1 TYR 289 HB3 -0.01 0.11 0.06 -0.04 2.98 3.09 2zyoA1 TYR 289 HD2 0.01 -0.01 -0.05 -0.04 7.15 7.06 2zyoA1 TYR 289 HE2 0.03 -0.01 -0.03 -0.04 6.85 6.79 2zyoA1 SER 290 H 0.02 0.36 -0.38 -0.55 8.46 7.92 2zyoA1 SER 290 HA 0.02 0.02 0.47 -0.75 4.49 4.24 2zyoA1 SER 290 HB2 -0.00 0.04 0.18 -0.04 3.95 4.13 2zyoA1 SER 290 HB3 0.00 0.17 0.05 -0.04 3.93 4.11 2zyoA1 LYS 291 H -0.08 0.14 0.19 -0.55 8.42 8.11 2zyoA1 LYS 291 HA -0.19 0.20 0.64 -0.75 4.32 4.22 2zyoA1 LYS 291 HB2 -0.71 -0.04 0.10 -0.04 1.87 1.18 2zyoA1 LYS 291 HB3 -0.52 -0.02 0.17 -0.04 1.79 1.38 2zyoA1 LYS 291 HG2 -0.09 0.14 0.05 -0.04 1.46 1.52 2zyoA1 LYS 291 HG3 -0.12 -0.01 0.07 -0.04 1.46 1.35 2zyoA1 LYS 291 HD2 -0.13 -0.06 0.05 -0.04 1.69 1.52 2zyoA1 LYS 291 HD3 -0.10 0.05 -0.01 -0.04 1.68 1.58 2zyoA1 LYS 291 HE2 -0.02 -0.04 0.01 -0.04 2.99 2.91 2zyoA1 LYS 291 HE3 -0.00 0.11 0.01 -0.04 2.99 3.07 2zyoA1 TYR 292 H 0.01 0.02 -0.30 -0.55 8.29 7.47 2zyoA1 TYR 292 HA 0.06 0.24 0.90 -0.75 4.56 5.01 2zyoA1 TYR 292 HB2 0.02 -0.04 0.16 -0.04 3.06 3.16 2zyoA1 TYR 292 HB3 0.09 -0.07 0.14 -0.04 2.98 3.10 2zyoA1 TYR 292 HD2 -0.01 0.02 0.02 -0.04 7.15 7.15 2zyoA1 TYR 292 HE2 -0.04 0.04 -0.06 -0.04 6.85 6.76 2zyoA1 PRO 293 HA 0.03 0.09 0.33 -0.51 4.44 4.38 2zyoA1 PRO 293 HB2 0.01 0.02 -0.03 -0.04 2.28 2.24 2zyoA1 PRO 293 HB3 -0.00 0.17 0.04 -0.04 2.02 2.19 2zyoA1 PRO 293 HG2 0.02 -0.09 0.06 -0.04 2.03 1.98 2zyoA1 PRO 293 HG3 -0.01 0.15 0.01 -0.04 2.03 2.14 2zyoA1 PRO 293 HD2 0.01 0.21 -0.13 -0.04 3.68 3.73 2zyoA1 PRO 293 HD3 -0.02 0.34 -0.27 -0.04 3.65 3.66 2zyoA1 LYS 294 H 0.08 0.17 -0.13 -0.55 8.42 7.99 2zyoA1 LYS 294 HA -0.00 0.12 0.42 -0.75 4.32 4.10 2zyoA1 LYS 294 HB2 0.03 -0.00 0.09 -0.04 1.87 1.94 2zyoA1 LYS 294 HB3 -0.08 0.04 0.01 -0.04 1.79 1.71 2zyoA1 LYS 294 HG2 -0.01 0.04 0.03 -0.04 1.46 1.47 2zyoA1 LYS 294 HG3 0.02 -0.00 0.05 -0.04 1.46 1.48 2zyoA1 LYS 294 HD2 0.01 -0.03 0.05 -0.04 1.69 1.69 2zyoA1 LYS 294 HD3 -0.03 0.02 0.03 -0.04 1.68 1.65 2zyoA1 LYS 294 HE2 -0.01 0.02 0.01 -0.04 2.99 2.97 2zyoA1 LYS 294 HE3 0.00 0.03 0.02 -0.04 2.99 3.00 2zyoA1 TYR 295 H 0.27 0.13 -0.13 -0.55 8.29 8.01 2zyoA1 TYR 295 HA 0.06 0.08 0.51 -0.75 4.56 4.46 2zyoA1 TYR 295 HB2 0.07 0.02 0.11 -0.04 3.06 3.22 2zyoA1 TYR 295 HB3 0.02 0.03 -0.04 -0.04 2.98 2.95 2zyoA1 TYR 295 HD2 0.09 -0.04 -0.02 -0.04 7.15 7.14 2zyoA1 TYR 295 HE2 0.02 0.13 -0.14 -0.04 6.85 6.81 2zyoA1 ALA 296 H 0.13 0.65 -0.11 -0.55 8.40 8.53 2zyoA1 ALA 296 HA -0.08 0.00 0.43 -0.75 4.34 3.93 2zyoA1 ALA 296 HB3 -0.01 0.02 0.03 -0.04 1.41 1.41 2zyoA1 THR 297 H 0.00 0.48 -0.29 -0.55 8.28 7.92 2zyoA1 THR 297 HA -0.04 0.02 0.46 -0.75 4.39 4.07 2zyoA1 THR 297 HB -0.01 0.12 0.14 -0.04 4.32 4.53 2zyoA1 THR 297 HG23 -0.00 -0.03 -0.10 -0.04 1.22 1.05 2zyoA1 GLU 298 H -0.00 0.42 -0.20 -0.55 8.60 8.28 2zyoA1 GLU 298 HA 0.05 0.01 0.57 -0.75 4.29 4.16 2zyoA1 GLU 298 HB2 0.10 0.16 0.19 -0.04 2.09 2.50 2zyoA1 GLU 298 HB3 0.17 -0.04 0.02 -0.04 1.99 2.10 2zyoA1 GLU 298 HG2 0.01 -0.07 0.04 -0.04 2.34 2.28 2zyoA1 GLU 298 HG3 -0.04 0.14 0.09 -0.04 2.34 2.49 2zyoA1 LEU 299 H -0.15 0.53 -0.15 -0.55 8.37 8.05 2zyoA1 LEU 299 HA -0.77 0.02 0.47 -0.75 4.35 3.32 2zyoA1 LEU 299 HB2 -1.07 0.03 0.05 -0.04 1.64 0.61 2zyoA1 LEU 299 HB3 -0.41 0.14 0.14 -0.04 1.64 1.47 2zyoA1 LEU 299 HG -0.52 -0.01 -0.30 -0.04 1.64 0.77 2zyoA1 LEU 299 HD13 -0.79 -0.01 -0.03 -0.04 0.93 0.05 2zyoA1 LEU 299 HD23 -0.39 -0.01 -0.11 -0.04 0.89 0.34 2zyoA1 MET 300 H -0.18 0.56 -0.19 -0.55 8.47 8.12 2zyoA1 MET 300 HA -0.33 -0.01 0.30 -0.75 4.52 3.73 2zyoA1 MET 300 HB2 -0.13 0.08 0.05 -0.04 2.15 2.10 2zyoA1 MET 300 HB3 -0.05 0.12 0.08 -0.04 2.03 2.13 2zyoA1 MET 300 HG2 0.03 -0.02 -0.20 -0.04 2.63 2.40 2zyoA1 MET 300 HG3 0.01 -0.05 -0.02 -0.04 2.56 2.46 2zyoA1 MET 300 HE3 0.03 -0.00 -0.31 -0.04 2.10 1.78 2zyoA1 GLN 301 H 0.00 0.50 -0.30 -0.55 8.47 8.13 2zyoA1 GLN 301 HA 0.09 0.04 0.43 -0.75 4.36 4.15 2zyoA1 GLN 301 HB2 0.08 0.15 0.14 -0.04 2.15 2.48 2zyoA1 GLN 301 HB3 0.07 -0.08 -0.03 -0.04 2.02 1.94 2zyoA1 GLN 301 HG2 0.08 -0.06 -0.02 -0.04 2.40 2.36 2zyoA1 GLN 301 HG3 0.04 0.14 0.02 -0.04 2.39 2.55 2zyoA1 GLN 301 HE21 0.02 -0.06 -0.07 -0.04 6.97 6.82 2zyoA1 GLN 301 HE22 0.02 0.25 -0.30 -0.04 7.69 7.62 2zyoA1 PHE 302 H 0.17 0.52 -0.21 -0.55 8.34 8.27 2zyoA1 PHE 302 HA 0.04 -0.05 0.42 -0.75 4.62 4.28 2zyoA1 PHE 302 HB2 0.23 0.07 0.13 -0.04 3.15 3.55 2zyoA1 PHE 302 HB3 0.02 0.13 0.14 -0.04 3.06 3.31 2zyoA1 PHE 302 HD2 0.21 0.02 -0.12 -0.04 7.28 7.36 2zyoA1 PHE 302 HE2 0.33 0.04 -0.01 -0.04 7.38 7.70 2zyoA1 PHE 302 HZ 0.30 -0.00 -0.17 -0.04 7.32 7.41 2zyoA1 LEU 303 H 0.02 0.54 -0.30 -0.55 8.37 8.08 2zyoA1 LEU 303 HA 0.02 0.01 0.41 -0.75 4.35 4.04 2zyoA1 LEU 303 HB2 -0.20 0.13 -0.00 -0.04 1.64 1.52 2zyoA1 LEU 303 HB3 0.13 -0.08 0.03 -0.04 1.64 1.68 2zyoA1 LEU 303 HG -0.16 0.21 -0.07 -0.04 1.64 1.58 2zyoA1 LEU 303 HD13 -0.87 -0.03 -0.13 -0.04 0.93 -0.14 2zyoA1 LEU 303 HD23 0.17 -0.02 -0.17 -0.04 0.89 0.83 2zyoA1 THR 304 H 0.01 0.34 -0.59 -0.55 8.28 7.49 2zyoA1 THR 304 HA 0.06 0.17 0.86 -0.75 4.39 4.72 2zyoA1 THR 304 HB 0.25 0.00 0.11 -0.04 4.32 4.63 2zyoA1 THR 304 HG23 0.19 -0.02 -0.27 -0.04 1.22 1.08 2zyoA1 SER 305 H -0.20 0.23 -0.19 -0.55 8.46 7.75 2zyoA1 SER 305 HA -0.11 0.13 0.51 -0.75 4.49 4.26 2zyoA1 SER 305 HB2 -0.20 -0.10 0.17 -0.04 3.95 3.78 2zyoA1 SER 305 HB3 -0.24 0.23 0.16 -0.04 3.93 4.04 2zyoA1 LYS 306 H -0.15 0.17 0.17 -0.55 8.42 8.06 2zyoA1 LYS 306 HA -0.12 0.11 0.44 -0.75 4.32 3.99 2zyoA1 LYS 306 HB2 -0.12 0.05 0.17 -0.04 1.87 1.92 2zyoA1 LYS 306 HB3 -0.10 -0.02 0.14 -0.04 1.79 1.76 2zyoA1 LYS 306 HG2 -0.07 0.01 -0.15 -0.04 1.46 1.22 2zyoA1 LYS 306 HG3 -0.08 -0.04 0.03 -0.04 1.46 1.33 2zyoA1 LYS 306 HD2 -0.07 -0.00 0.01 -0.04 1.69 1.59 2zyoA1 LYS 306 HD3 -0.06 0.02 -0.01 -0.04 1.68 1.59 2zyoA1 LYS 306 HE2 -0.03 0.01 -0.06 -0.04 2.99 2.86 2zyoA1 LYS 306 HE3 -0.05 -0.03 -0.09 -0.04 2.99 2.78 2zyoA1 GLU 307 H -0.20 0.10 -0.11 -0.55 8.60 7.85 2zyoA1 GLU 307 HA -0.09 0.08 0.39 -0.75 4.29 3.91 2zyoA1 GLU 307 HB2 -0.10 -0.00 0.09 -0.04 2.09 2.04 2zyoA1 GLU 307 HB3 -0.33 0.02 0.05 -0.04 1.99 1.69 2zyoA1 GLU 307 HG2 0.15 0.02 -0.15 -0.04 2.34 2.32 2zyoA1 GLU 307 HG3 0.09 -0.00 0.02 -0.04 2.34 2.41 2zyoA1 ALA 308 H -0.64 0.07 -0.28 -0.55 8.40 7.00 2zyoA1 ALA 308 HA -2.15 0.04 0.40 -0.75 4.34 1.88 2zyoA1 ALA 308 HB3 -0.95 0.05 -0.02 -0.04 1.41 0.45 2zyoA1 LEU 309 H -0.24 0.60 -0.23 -0.55 8.37 7.95 2zyoA1 LEU 309 HA -0.04 0.07 0.54 -0.75 4.35 4.15 2zyoA1 LEU 309 HB2 -0.04 0.04 0.01 -0.04 1.64 1.62 2zyoA1 LEU 309 HB3 0.02 -0.05 0.04 -0.04 1.64 1.60 2zyoA1 LEU 309 HG -0.02 0.00 -0.12 -0.04 1.64 1.47 2zyoA1 LEU 309 HD13 0.18 0.01 -0.04 -0.04 0.93 1.04 2zyoA1 LEU 309 HD23 0.02 0.02 0.06 -0.04 0.89 0.95 2zyoA1 ALA 310 H -0.07 0.52 -0.13 -0.55 8.40 8.16 2zyoA1 ALA 310 HA 0.09 0.03 0.57 -0.75 4.34 4.28 2zyoA1 ALA 310 HB3 0.03 0.02 0.11 -0.04 1.41 1.53 2zyoA1 SER 311 H 0.06 0.49 -0.15 -0.55 8.46 8.31 2zyoA1 SER 311 HA 0.19 0.00 0.45 -0.75 4.49 4.39 2zyoA1 SER 311 HB2 0.53 -0.03 0.11 -0.04 3.95 4.52 2zyoA1 SER 311 HB3 0.40 0.18 0.20 -0.04 3.93 4.67 2zyoA1 ARG 312 H 0.08 0.55 -0.08 -0.55 8.46 8.45 2zyoA1 ARG 312 HA 0.15 -0.04 0.40 -0.75 4.34 4.10 2zyoA1 ARG 312 HB2 0.07 0.13 0.13 -0.04 1.90 2.20 2zyoA1 ARG 312 HB3 0.07 0.12 0.14 -0.04 1.80 2.09 2zyoA1 ARG 312 HG2 0.07 -0.07 -0.09 -0.04 1.67 1.54 2zyoA1 ARG 312 HG3 0.11 -0.08 0.04 -0.04 1.67 1.70 2zyoA1 ARG 312 HD2 0.08 0.06 -0.02 -0.04 3.22 3.30 2zyoA1 ARG 312 HD3 0.02 0.14 -0.03 -0.04 3.22 3.31 2zyoA1 PHE 313 H 0.21 0.64 -0.17 -0.55 8.34 8.47 2zyoA1 PHE 313 HA 0.02 0.07 0.44 -0.75 4.62 4.40 2zyoA1 PHE 313 HB2 0.01 0.07 0.15 -0.04 3.15 3.34 2zyoA1 PHE 313 HB3 0.02 0.08 0.19 -0.04 3.06 3.31 2zyoA1 PHE 313 HD2 0.02 0.07 -0.31 -0.04 7.28 7.01 2zyoA1 PHE 313 HE2 0.02 0.03 -0.11 -0.04 7.38 7.27 2zyoA1 PHE 313 HZ 0.03 0.02 0.01 -0.04 7.32 7.34 2zyoA1 LYS 314 H 0.10 0.50 -0.15 -0.55 8.42 8.31 2zyoA1 LYS 314 HA -0.37 0.03 0.35 -0.75 4.32 3.57 2zyoA1 LYS 314 HB2 0.06 0.08 0.14 -0.04 1.87 2.10 2zyoA1 LYS 314 HB3 -0.01 -0.05 0.04 -0.04 1.79 1.73 2zyoA1 LYS 314 HG2 0.09 -0.04 0.03 -0.04 1.46 1.50 2zyoA1 LYS 314 HG3 0.22 0.14 0.08 -0.04 1.46 1.86 2zyoA1 LYS 314 HD2 0.11 -0.00 -0.06 -0.04 1.69 1.69 2zyoA1 LYS 314 HD3 0.07 -0.03 -0.01 -0.04 1.68 1.67 2zyoA1 LYS 314 HE2 0.13 -0.03 -0.01 -0.04 2.99 3.03 2zyoA1 LYS 314 HE3 0.15 0.01 -0.04 -0.04 2.99 3.07 2zyoA1 GLU 315 H 0.01 0.44 -0.24 -0.55 8.60 8.26 2zyoA1 GLU 315 HA -0.02 0.07 0.59 -0.75 4.29 4.18 2zyoA1 GLU 315 HB2 0.07 0.09 0.14 -0.04 2.09 2.35 2zyoA1 GLU 315 HB3 0.04 -0.10 -0.04 -0.04 1.99 1.85 2zyoA1 GLU 315 HG2 0.03 -0.02 -0.01 -0.04 2.34 2.30 2zyoA1 GLU 315 HG3 0.09 0.10 0.01 -0.04 2.34 2.50 2zyoA1 THR 316 H -0.04 0.64 0.03 -0.55 8.28 8.37 2zyoA1 THR 316 HA -0.02 0.06 0.53 -0.75 4.39 4.21 2zyoA1 THR 316 HB 0.00 -0.13 0.03 -0.04 4.32 4.18 2zyoA1 THR 316 HG23 0.04 -0.02 -0.13 -0.04 1.22 1.06 2zyoA1 GLY 317 H -0.23 0.68 0.05 -0.55 8.43 8.38 2zyoA1 GLY 317 HA2 -0.42 0.11 0.30 -0.51 4.01 3.49 2zyoA1 GLY 317 HA3 -0.11 0.02 0.50 -0.51 4.01 3.91 2zyoA1 GLU 318 H 0.03 0.03 -0.40 -0.55 8.60 7.72 2zyoA1 GLU 318 HA 0.07 0.06 0.64 -0.75 4.29 4.30 2zyoA1 GLU 318 HB2 0.05 0.02 -0.04 -0.04 2.09 2.08 2zyoA1 GLU 318 HB3 0.03 -0.02 -0.06 -0.04 1.99 1.90 2zyoA1 GLU 318 HG2 0.01 0.01 -0.11 -0.04 2.34 2.21 2zyoA1 GLU 318 HG3 0.01 0.06 -0.15 -0.04 2.34 2.22 2zyoA1 ILE 319 H 0.09 0.13 0.21 -0.55 8.25 8.12 2zyoA1 ILE 319 HA 0.06 0.14 0.38 -0.75 4.18 4.00 2zyoA1 ILE 319 HB 0.03 0.05 0.18 -0.04 1.89 2.11 2zyoA1 ILE 319 HG12 0.04 0.04 0.01 -0.04 1.49 1.54 2zyoA1 ILE 319 HG13 0.12 0.02 0.14 -0.04 1.21 1.44 2zyoA1 ILE 319 HG23 -0.04 -0.01 -0.22 -0.04 0.93 0.61 2zyoA1 ILE 319 HD13 0.10 -0.00 -0.00 -0.04 0.88 0.93 2zyoA1 PRO 320 HA 0.03 0.29 0.60 -0.51 4.44 4.85 2zyoA1 PRO 320 HB2 0.03 -0.09 -0.04 -0.04 2.28 2.14 2zyoA1 PRO 320 HB3 0.05 0.16 0.11 -0.04 2.02 2.30 2zyoA1 PRO 320 HG2 -0.07 -0.11 0.07 -0.04 2.03 1.88 2zyoA1 PRO 320 HG3 0.05 0.17 0.05 -0.04 2.03 2.27 2zyoA1 PRO 320 HD2 -0.23 0.02 0.16 -0.04 3.68 3.59 2zyoA1 PRO 320 HD3 0.06 0.27 0.27 -0.04 3.65 4.21 2zyoA1 PRO 321 HA 0.03 0.15 0.42 -0.51 4.44 4.52 2zyoA1 PRO 321 HB2 0.06 -0.09 0.15 -0.04 2.28 2.35 2zyoA1 PRO 321 HB3 0.02 0.04 -0.04 -0.04 2.02 2.00 2zyoA1 PRO 321 HG2 -0.00 0.04 -0.12 -0.04 2.03 1.90 2zyoA1 PRO 321 HG3 -0.01 0.04 -0.22 -0.04 2.03 1.79 2zyoA1 PRO 321 HD2 0.02 0.19 -0.40 -0.04 3.68 3.45 2zyoA1 PRO 321 HD3 0.00 0.13 -0.17 -0.04 3.65 3.57 2zyoA1 GLN 322 H 0.03 0.67 -0.31 -0.55 8.47 8.32 2zyoA1 GLN 322 HA 0.05 0.22 0.82 -0.75 4.36 4.69 2zyoA1 GLN 322 HB2 0.07 0.06 -0.15 -0.04 2.15 2.08 2zyoA1 GLN 322 HB3 -0.04 -0.18 0.05 -0.04 2.02 1.81 2zyoA1 GLN 322 HG2 -0.38 0.15 -0.03 -0.04 2.40 2.11 2zyoA1 GLN 322 HG3 -0.08 0.08 -0.11 -0.04 2.39 2.24 2zyoA1 GLN 322 HE21 -0.19 -0.08 0.07 -0.04 6.97 6.74 2zyoA1 GLN 322 HE22 -0.32 0.08 0.03 -0.04 7.69 7.44 2zyoA1 LYS 323 H -0.09 0.71 0.25 -0.55 8.42 8.73 2zyoA1 LYS 323 HA -0.03 0.01 0.12 -0.75 4.32 3.67 2zyoA1 LYS 323 HB2 -0.08 0.07 0.07 -0.04 1.87 1.89 2zyoA1 LYS 323 HB3 -0.04 -0.01 -0.07 -0.04 1.79 1.63 2zyoA1 LYS 323 HG2 -0.01 -0.12 -0.18 -0.04 1.46 1.11 2zyoA1 LYS 323 HG3 -0.03 0.00 -0.57 -0.04 1.46 0.83 2zyoA1 LYS 323 HD2 -0.05 0.30 -0.03 -0.04 1.69 1.87 2zyoA1 LYS 323 HD3 -0.02 -0.09 -0.06 -0.04 1.68 1.47 2zyoA1 LYS 323 HE2 0.01 -0.19 -0.04 -0.04 2.99 2.73 2zyoA1 LYS 323 HE3 0.01 0.37 -0.13 -0.04 2.99 3.20 2zyoA1 GLU 324 H -0.09 0.16 -0.03 -0.55 8.60 8.09 2zyoA1 GLU 324 HA -0.05 0.11 0.45 -0.75 4.29 4.05 2zyoA1 GLU 324 HB2 -0.08 -0.04 0.10 -0.04 2.09 2.03 2zyoA1 GLU 324 HB3 -0.05 0.02 -0.01 -0.04 1.99 1.90 2zyoA1 GLU 324 HG2 -0.05 0.04 0.03 -0.04 2.34 2.31 2zyoA1 GLU 324 HG3 -0.08 0.02 0.06 -0.04 2.34 2.31 2zyoA1 LEU 325 H -0.07 0.13 -0.22 -0.55 8.37 7.66 2zyoA1 LEU 325 HA -0.07 0.01 0.42 -0.75 4.35 3.96 2zyoA1 LEU 325 HB2 -0.07 0.12 0.11 -0.04 1.64 1.76 2zyoA1 LEU 325 HB3 -0.11 0.03 0.04 -0.04 1.64 1.56 2zyoA1 LEU 325 HG -0.07 -0.11 0.03 -0.04 1.64 1.45 2zyoA1 LEU 325 HD13 -0.03 0.06 -0.09 -0.04 0.93 0.82 2zyoA1 LEU 325 HD23 -0.04 0.01 0.01 -0.04 0.89 0.83 2zyoA1 LEU 326 H -0.06 0.51 -0.16 -0.55 8.37 8.12 2zyoA1 LEU 326 HA -0.09 0.04 0.46 -0.75 4.35 4.00 2zyoA1 LEU 326 HB2 -0.03 0.13 0.02 -0.04 1.64 1.71 2zyoA1 LEU 326 HB3 -0.03 -0.02 -0.01 -0.04 1.64 1.54 2zyoA1 LEU 326 HG -0.03 0.13 0.02 -0.04 1.64 1.71 2zyoA1 LEU 326 HD13 0.00 -0.04 -0.17 -0.04 0.93 0.68 2zyoA1 LEU 326 HD23 -0.04 -0.01 -0.09 -0.04 0.89 0.71 2zyoA1 ASN 327 H -0.05 0.28 -0.46 -0.55 8.53 7.76 2zyoA1 ASN 327 HA -0.03 0.12 0.71 -0.75 4.76 4.81 2zyoA1 ASN 327 HB2 -0.03 0.09 0.13 -0.04 2.88 3.02 2zyoA1 ASN 327 HB3 -0.02 -0.07 0.13 -0.04 2.79 2.79 2zyoA1 ASN 327 HD21 -0.02 -0.03 -0.04 -0.04 7.03 6.90 2zyoA1 ASN 327 HD22 -0.02 0.01 0.03 -0.04 7.74 7.72 2zyoA1 ASP 328 H -0.06 0.30 -0.35 -0.55 8.40 7.75 2zyoA1 ASP 328 HA -0.02 0.14 0.60 -0.75 4.63 4.60 2zyoA1 ASP 328 HB2 -0.04 0.08 0.16 -0.04 2.71 2.86 2zyoA1 ASP 328 HB3 -0.07 0.07 0.19 -0.04 2.70 2.86 2zyoA1 PRO 329 HA -0.00 0.03 0.46 -0.51 4.44 4.42 2zyoA1 PRO 329 HB2 0.02 0.04 -0.01 -0.04 2.28 2.28 2zyoA1 PRO 329 HB3 0.01 0.06 0.09 -0.04 2.02 2.14 2zyoA1 PRO 329 HG2 0.01 0.04 0.09 -0.04 2.03 2.13 2zyoA1 PRO 329 HG3 0.00 0.09 0.10 -0.04 2.03 2.18 2zyoA1 PRO 329 HD2 -0.00 0.07 0.23 -0.04 3.68 3.93 2zyoA1 PRO 329 HD3 -0.01 0.25 0.27 -0.04 3.65 4.12 2zyoA1 MET 330 H 0.00 0.09 -0.36 -0.55 8.47 7.67 2zyoA1 MET 330 HA 0.11 0.09 0.36 -0.75 4.52 4.32 2zyoA1 MET 330 HB2 0.27 0.04 0.05 -0.04 2.15 2.48 2zyoA1 MET 330 HB3 0.09 -0.04 0.06 -0.04 2.03 2.09 2zyoA1 MET 330 HG2 -0.06 -0.05 -0.00 -0.04 2.63 2.47 2zyoA1 MET 330 HG3 -0.28 0.09 -0.28 -0.04 2.56 2.05 2zyoA1 MET 330 HE3 0.05 -0.02 0.02 -0.04 2.10 2.10 2zyoA1 ILE 331 H -0.09 0.40 -0.30 -0.55 8.25 7.71 2zyoA1 ILE 331 HA -0.18 0.12 0.80 -0.75 4.18 4.17 2zyoA1 ILE 331 HB -0.13 0.19 0.14 -0.04 1.89 2.04 2zyoA1 ILE 331 HG12 -0.40 -0.08 -0.08 -0.04 1.49 0.88 2zyoA1 ILE 331 HG13 -0.28 0.02 -0.11 -0.04 1.21 0.80 2zyoA1 ILE 331 HG23 -0.10 -0.03 -0.13 -0.04 0.93 0.63 2zyoA1 ILE 331 HD13 -1.02 -0.00 -0.09 -0.04 0.88 -0.27 2zyoA1 LYS 332 H -0.04 0.47 0.08 -0.55 8.42 8.37 2zyoA1 LYS 332 HA -0.01 0.04 0.29 -0.75 4.32 3.88 2zyoA1 LYS 332 HB2 -0.01 -0.04 -0.06 -0.04 1.87 1.71 2zyoA1 LYS 332 HB3 -0.01 -0.02 0.00 -0.04 1.79 1.72 2zyoA1 LYS 332 HG2 -0.02 -0.02 0.01 -0.04 1.46 1.38 2zyoA1 LYS 332 HG3 -0.04 0.13 -0.09 -0.04 1.46 1.42 2zyoA1 LYS 332 HD2 -0.02 0.01 0.02 -0.04 1.69 1.66 2zyoA1 LYS 332 HD3 -0.02 0.00 -0.12 -0.04 1.68 1.50 2zyoA1 LYS 332 HE2 -0.01 -0.03 -0.00 -0.04 2.99 2.90 2zyoA1 LYS 332 HE3 -0.01 -0.04 -0.01 -0.04 2.99 2.89 2zyoA1 ASN 333 H 0.01 0.49 -0.16 -0.55 8.53 8.32 2zyoA1 ASN 333 HA 0.01 0.18 0.82 -0.75 4.76 5.02 2zyoA1 ASN 333 HB2 0.02 0.14 0.09 -0.04 2.88 3.09 2zyoA1 ASN 333 HB3 0.02 -0.04 0.17 -0.04 2.79 2.90 2zyoA1 ASN 333 HD21 0.01 -0.01 0.00 -0.04 7.03 6.99 2zyoA1 ASN 333 HD22 0.01 -0.01 0.02 -0.04 7.74 7.73 2zyoA1 ASN 334 H 0.04 0.31 -0.43 -0.55 8.53 7.90 2zyoA1 ASN 334 HA 0.06 0.21 0.87 -0.75 4.76 5.15 2zyoA1 ASN 334 HB2 0.15 0.20 0.04 -0.04 2.88 3.24 2zyoA1 ASN 334 HB3 0.14 -0.03 0.20 -0.04 2.79 3.06 2zyoA1 ASN 334 HD21 0.09 -0.01 0.00 -0.04 7.03 7.07 2zyoA1 ASN 334 HD22 0.25 0.14 0.05 -0.04 7.74 8.14 2zyoA1 PRO 335 HA -0.00 0.09 0.33 -0.51 4.44 4.35 2zyoA1 PRO 335 HB2 -0.02 0.12 0.08 -0.04 2.28 2.42 2zyoA1 PRO 335 HB3 -0.00 0.05 0.14 -0.04 2.02 2.17 2zyoA1 PRO 335 HG2 0.02 0.01 0.09 -0.04 2.03 2.10 2zyoA1 PRO 335 HG3 0.01 0.07 0.11 -0.04 2.03 2.17 2zyoA1 PRO 335 HD2 0.04 0.07 0.27 -0.04 3.68 4.03 2zyoA1 PRO 335 HD3 0.03 0.32 0.25 -0.04 3.65 4.20 2zyoA1 VAL 336 H 0.05 0.11 -0.33 -0.55 8.24 7.53 2zyoA1 VAL 336 HA -0.01 0.21 0.85 -0.75 4.13 4.43 2zyoA1 VAL 336 HB 0.09 0.02 0.02 -0.04 2.12 2.21 2zyoA1 VAL 336 HG13 0.11 -0.00 0.03 -0.04 0.97 1.06 2zyoA1 VAL 336 HG23 0.02 0.05 -0.09 -0.04 0.95 0.89 2zyoA1 VAL 337 H 0.08 0.34 -0.13 -0.55 8.24 7.97 2zyoA1 VAL 337 HA 0.32 0.15 0.95 -0.75 4.13 4.79 2zyoA1 VAL 337 HB 0.17 0.09 0.16 -0.04 2.12 2.50 2zyoA1 VAL 337 HG13 0.10 0.00 -0.06 -0.04 0.97 0.98 2zyoA1 VAL 337 HG23 0.31 -0.00 -0.12 -0.04 0.95 1.09 2zyoA1 ASN 338 H 0.04 0.62 0.26 -0.55 8.53 8.91 2zyoA1 ASN 338 HA 0.01 0.03 0.27 -0.75 4.76 4.32 2zyoA1 ASN 338 HB2 0.01 0.17 0.13 -0.04 2.88 3.14 2zyoA1 ASN 338 HB3 -0.01 -0.04 0.11 -0.04 2.79 2.81 2zyoA1 ASN 338 HD21 -0.01 -0.07 0.01 -0.04 7.03 6.93 2zyoA1 ASN 338 HD22 -0.01 -0.01 0.00 -0.04 7.74 7.68 2zyoA1 GLY 339 H -0.08 0.20 -0.24 -0.55 8.43 7.76 2zyoA1 GLY 339 HA2 -0.08 0.05 0.30 -0.51 4.01 3.77 2zyoA1 GLY 339 HA3 -0.19 0.14 -0.17 -0.51 4.01 3.29 2zyoA1 PHE 340 H -0.12 0.20 -0.38 -0.55 8.34 7.49 2zyoA1 PHE 340 HA -0.05 0.07 0.35 -0.75 4.62 4.23 2zyoA1 PHE 340 HB2 -0.02 0.21 0.12 -0.04 3.15 3.42 2zyoA1 PHE 340 HB3 -0.03 -0.08 0.01 -0.04 3.06 2.91 2zyoA1 PHE 340 HD2 -0.07 0.15 -0.01 -0.04 7.28 7.30 2zyoA1 PHE 340 HE2 -0.15 0.14 0.04 -0.04 7.38 7.36 2zyoA1 PHE 340 HZ -0.19 -0.00 -0.28 -0.04 7.32 6.81 2zyoA1 ALA 341 H 0.10 0.52 -0.17 -0.55 8.40 8.31 2zyoA1 ALA 341 HA 0.05 -0.02 0.37 -0.75 4.34 3.99 2zyoA1 ALA 341 HB3 0.01 0.04 0.02 -0.04 1.41 1.43 2zyoA1 LYS 342 H 0.01 0.62 -0.09 -0.55 8.42 8.41 2zyoA1 LYS 342 HA -0.00 0.03 0.41 -0.75 4.32 4.00 2zyoA1 LYS 342 HB2 -0.02 0.07 0.15 -0.04 1.87 2.02 2zyoA1 LYS 342 HB3 -0.02 -0.04 -0.01 -0.04 1.79 1.68 2zyoA1 LYS 342 HG2 -0.01 -0.04 0.03 -0.04 1.46 1.39 2zyoA1 LYS 342 HG3 -0.01 0.18 0.04 -0.04 1.46 1.62 2zyoA1 LYS 342 HD2 -0.02 -0.03 0.00 -0.04 1.69 1.60 2zyoA1 LYS 342 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.60 2zyoA1 LYS 342 HE2 -0.02 -0.00 -0.18 -0.04 2.99 2.74 2zyoA1 LYS 342 HE3 -0.03 -0.02 -0.02 -0.04 2.99 2.87 2zyoA1 GLN 343 H 0.00 0.52 -0.22 -0.55 8.47 8.23 2zyoA1 GLN 343 HA -0.01 0.05 0.45 -0.75 4.36 4.10 2zyoA1 GLN 343 HB2 -0.04 -0.07 0.17 -0.04 2.15 2.17 2zyoA1 GLN 343 HB3 0.03 0.12 0.11 -0.04 2.02 2.23 2zyoA1 GLN 343 HG2 -0.05 0.10 0.11 -0.04 2.40 2.52 2zyoA1 GLN 343 HG3 0.00 -0.04 -0.15 -0.04 2.39 2.17 2zyoA1 GLN 343 HE21 -0.03 0.44 -0.08 -0.04 6.97 7.25 2zyoA1 GLN 343 HE22 -0.01 -0.15 -0.10 -0.04 7.69 7.39 2zyoA1 ALA 344 H 0.06 0.61 -0.21 -0.55 8.40 8.31 2zyoA1 ALA 344 HA 0.06 -0.01 0.32 -0.75 4.34 3.95 2zyoA1 ALA 344 HB3 0.06 -0.00 -0.03 -0.04 1.41 1.39 2zyoA1 SER 345 H 0.03 0.46 -0.46 -0.55 8.46 7.94 2zyoA1 SER 345 HA 0.03 -0.06 0.42 -0.75 4.49 4.12 2zyoA1 SER 345 HB2 0.01 -0.12 0.11 -0.04 3.95 3.91 2zyoA1 SER 345 HB3 0.01 0.06 0.08 -0.04 3.93 4.04 2zyoA1 LYS 346 H 0.03 0.42 -0.59 -0.55 8.42 7.72 2zyoA1 LYS 346 HA 0.02 0.11 0.83 -0.75 4.32 4.52 2zyoA1 LYS 346 HB2 0.01 0.10 0.13 -0.04 1.87 2.06 2zyoA1 LYS 346 HB3 0.01 -0.01 0.13 -0.04 1.79 1.89 2zyoA1 LYS 346 HG2 0.01 -0.07 -0.02 -0.04 1.46 1.34 2zyoA1 LYS 346 HG3 0.01 -0.02 -0.33 -0.04 1.46 1.08 2zyoA1 LYS 346 HD2 -0.01 0.07 -0.04 -0.04 1.69 1.67 2zyoA1 LYS 346 HD3 -0.00 -0.10 0.01 -0.04 1.68 1.54 2zyoA1 LYS 346 HE2 -0.01 -0.06 -0.03 -0.04 2.99 2.85 2zyoA1 LYS 346 HE3 -0.00 -0.05 -0.02 -0.04 2.99 2.88 2zyoA1 GLY 347 H 0.05 0.27 -0.24 -0.55 8.43 7.96 2zyoA1 GLY 347 HA2 0.08 0.01 0.72 -0.51 4.01 4.31 2zyoA1 GLY 347 HA3 0.08 -0.01 0.24 -0.51 4.01 3.81 2zyoA1 VAL 348 H 0.15 0.60 0.28 -0.55 8.24 8.71 2zyoA1 VAL 348 HA 0.11 0.19 0.81 -0.75 4.13 4.49 2zyoA1 VAL 348 HB 0.15 0.03 0.02 -0.04 2.12 2.28 2zyoA1 VAL 348 HG13 0.11 0.01 -0.18 -0.04 0.97 0.87 2zyoA1 VAL 348 HG23 0.23 -0.01 -0.12 -0.04 0.95 1.01 2zyoA1 PRO 349 HA 0.15 0.09 0.50 -0.51 4.44 4.67 2zyoA1 PRO 349 HB2 0.14 0.04 -0.05 -0.04 2.28 2.37 2zyoA1 PRO 349 HB3 -0.09 -0.00 0.09 -0.04 2.02 1.97 2zyoA1 PRO 349 HG2 0.04 0.02 -0.02 -0.04 2.03 2.03 2zyoA1 PRO 349 HG3 0.00 0.12 0.04 -0.04 2.03 2.15 2zyoA1 PRO 349 HD2 0.11 0.07 0.14 -0.04 3.68 3.96 2zyoA1 PRO 349 HD3 0.08 0.16 0.19 -0.04 3.65 4.04 2zyoA1 MET 350 H 0.29 0.37 0.34 -0.55 8.47 8.93 2zyoA1 MET 350 HA -0.34 0.04 0.61 -0.75 4.52 4.08 2zyoA1 MET 350 HB2 -0.05 -0.07 0.19 -0.04 2.15 2.18 2zyoA1 MET 350 HB3 -0.13 0.09 0.03 -0.04 2.03 1.97 2zyoA1 MET 350 HG2 -1.17 -0.00 0.09 -0.04 2.63 1.51 2zyoA1 MET 350 HG3 -0.10 0.03 0.05 -0.04 2.56 2.50 2zyoA1 MET 350 HE3 0.01 -0.00 -0.04 -0.04 2.10 2.03 2zyoA1 PRO 351 HA 0.13 0.05 0.49 -0.51 4.44 4.60 2zyoA1 PRO 351 HB2 0.12 -0.01 0.08 -0.04 2.28 2.42 2zyoA1 PRO 351 HB3 0.21 -0.03 0.10 -0.04 2.02 2.26 2zyoA1 PRO 351 HG2 0.10 -0.04 0.10 -0.04 2.03 2.15 2zyoA1 PRO 351 HG3 0.18 0.08 0.12 -0.04 2.03 2.37 2zyoA1 PRO 351 HD2 -0.26 0.02 0.23 -0.04 3.68 3.63 2zyoA1 PRO 351 HD3 0.03 0.22 0.27 -0.04 3.65 4.13 2zyoA1 SER 352 H 0.13 0.10 0.23 -0.55 8.46 8.37 2zyoA1 SER 352 HA 0.01 0.35 0.93 -0.75 4.49 5.03 2zyoA1 SER 352 HB2 0.08 -0.19 0.19 -0.04 3.95 3.99 2zyoA1 SER 352 HB3 0.20 0.15 0.04 -0.04 3.93 4.28 2zyoA1 ILE 353 H 0.07 -0.02 0.03 -0.55 8.25 7.78 2zyoA1 ILE 353 HA 0.19 0.15 0.57 -0.75 4.18 4.34 2zyoA1 ILE 353 HB -0.08 0.05 0.10 -0.04 1.89 1.92 2zyoA1 ILE 353 HG12 -0.21 -0.01 0.02 -0.04 1.49 1.25 2zyoA1 ILE 353 HG13 -0.24 -0.24 -0.14 -0.04 1.21 0.54 2zyoA1 ILE 353 HG23 -0.04 0.03 0.09 -0.04 0.93 0.97 2zyoA1 ILE 353 HD13 -1.01 0.04 -0.13 -0.04 0.88 -0.26 2zyoA1 PRO 354 HA -0.03 0.09 0.37 -0.51 4.44 4.35 2zyoA1 PRO 354 HB2 -0.03 0.05 0.01 -0.04 2.28 2.27 2zyoA1 PRO 354 HB3 -0.04 0.06 0.07 -0.04 2.02 2.07 2zyoA1 PRO 354 HG2 -0.02 0.13 0.01 -0.04 2.03 2.10 2zyoA1 PRO 354 HG3 -0.07 0.03 -0.23 -0.04 2.03 1.71 2zyoA1 PRO 354 HD2 0.01 0.12 0.18 -0.04 3.68 3.94 2zyoA1 PRO 354 HD3 0.05 0.13 0.20 -0.04 3.65 3.99 2zyoA1 GLU 355 H -0.09 0.11 -0.32 -0.55 8.60 7.75 2zyoA1 GLU 355 HA 0.00 0.12 0.30 -0.75 4.29 3.96 2zyoA1 GLU 355 HB2 -0.33 -0.05 -0.03 -0.04 2.09 1.64 2zyoA1 GLU 355 HB3 0.02 0.06 -0.01 -0.04 1.99 2.02 2zyoA1 GLU 355 HG2 -0.07 0.06 -0.01 -0.04 2.34 2.28 2zyoA1 GLU 355 HG3 -0.03 0.08 0.01 -0.04 2.34 2.35 2zyoA1 MET 356 H 0.00 0.41 -0.41 -0.55 8.47 7.93 2zyoA1 MET 356 HA 0.12 0.01 0.42 -0.75 4.52 4.31 2zyoA1 MET 356 HB2 0.14 -0.10 -0.01 -0.04 2.15 2.13 2zyoA1 MET 356 HB3 0.06 0.21 -0.05 -0.04 2.03 2.22 2zyoA1 MET 356 HG2 -0.04 0.17 0.02 -0.04 2.63 2.74 2zyoA1 MET 356 HG3 -0.27 -0.07 -0.06 -0.04 2.56 2.12 2zyoA1 MET 356 HE3 -1.16 -0.02 -0.00 -0.04 2.10 0.88 2zyoA1 GLY 357 H 0.05 0.48 -0.28 -0.55 8.43 8.12 2zyoA1 GLY 357 HA2 0.24 -0.01 0.34 -0.51 4.01 4.07 2zyoA1 GLY 357 HA3 0.08 0.12 0.30 -0.51 4.01 4.00 2zyoA1 VAL 358 H 0.03 0.36 -0.36 -0.55 8.24 7.73 2zyoA1 VAL 358 HA 0.06 0.12 0.75 -0.75 4.13 4.30 2zyoA1 VAL 358 HB 0.02 -0.02 0.13 -0.04 2.12 2.21 2zyoA1 VAL 358 HG13 0.02 0.01 -0.09 -0.04 0.97 0.88 2zyoA1 VAL 358 HG23 0.02 0.02 -0.11 -0.04 0.95 0.85 2zyoA1 VAL 359 H -0.11 0.46 -0.29 -0.55 8.24 7.75 2zyoA1 VAL 359 HA -0.14 0.12 0.65 -0.75 4.13 4.00 2zyoA1 VAL 359 HB -0.52 0.18 0.18 -0.04 2.12 1.92 2zyoA1 VAL 359 HG13 -0.50 -0.03 -0.11 -0.04 0.97 0.29 2zyoA1 VAL 359 HG23 -0.18 0.04 -0.02 -0.04 0.95 0.76 2zyoA1 TRP 360 H -0.14 0.30 -0.07 -0.55 7.97 7.52 2zyoA1 TRP 360 HA 0.03 -0.04 0.24 -0.75 4.62 4.10 2zyoA1 TRP 360 HB2 -0.01 0.09 0.11 -0.04 3.23 3.37 2zyoA1 TRP 360 HB3 0.01 -0.05 0.02 -0.04 3.23 3.16 2zyoA1 TRP 360 HD1 -0.03 0.16 0.08 -0.04 7.22 7.39 2zyoA1 TRP 360 HE1 -0.07 0.03 -0.09 -0.04 10.20 10.02 2zyoA1 TRP 360 HE3 0.19 -0.09 0.01 -0.04 7.59 7.65 2zyoA1 TRP 360 HZ2 -0.22 0.05 -0.01 -0.04 7.44 7.23 2zyoA1 TRP 360 HZ3 0.30 -0.11 -0.15 -0.04 7.13 7.13 2zyoA1 TRP 360 HH2 -0.30 0.03 -0.01 -0.04 7.19 6.87 2zyoA1 GLU 361 H 0.17 0.19 -0.19 -0.55 8.60 8.22 2zyoA1 GLU 361 HA 0.09 0.01 0.37 -0.75 4.29 4.00 2zyoA1 GLU 361 HB2 0.07 -0.01 0.10 -0.04 2.09 2.21 2zyoA1 GLU 361 HB3 0.05 0.12 0.08 -0.04 1.99 2.21 2zyoA1 GLU 361 HG2 0.03 -0.01 -0.18 -0.04 2.34 2.14 2zyoA1 GLU 361 HG3 0.03 -0.03 0.02 -0.04 2.34 2.32 2zyoA1 PRO 362 HA 0.03 0.04 0.49 -0.51 4.44 4.48 2zyoA1 PRO 362 HB2 -0.04 0.05 0.07 -0.04 2.28 2.32 2zyoA1 PRO 362 HB3 0.01 0.02 0.16 -0.04 2.02 2.18 2zyoA1 PRO 362 HG2 -0.02 0.16 0.11 -0.04 2.03 2.25 2zyoA1 PRO 362 HG3 0.01 -0.01 0.04 -0.04 2.03 2.04 2zyoA1 PRO 362 HD2 0.00 0.18 -0.35 -0.04 3.68 3.47 2zyoA1 PRO 362 HD3 0.03 0.02 0.05 -0.04 3.65 3.72 2zyoA1 ILE 363 H -0.05 0.60 -0.12 -0.55 8.25 8.12 2zyoA1 ILE 363 HA -0.05 0.06 0.47 -0.75 4.18 3.90 2zyoA1 ILE 363 HB -0.34 0.05 0.06 -0.04 1.89 1.62 2zyoA1 ILE 363 HG12 -1.28 -0.03 -0.05 -0.04 1.49 0.09 2zyoA1 ILE 363 HG13 -0.10 -0.06 -0.07 -0.04 1.21 0.93 2zyoA1 ILE 363 HG23 -0.16 0.02 -0.05 -0.04 0.93 0.70 2zyoA1 ILE 363 HD13 -0.29 0.01 0.02 -0.04 0.88 0.57 2zyoA1 ASN 364 H 0.07 0.65 -0.03 -0.55 8.53 8.67 2zyoA1 ASN 364 HA 0.04 -0.01 0.59 -0.75 4.76 4.63 2zyoA1 ASN 364 HB2 0.07 0.15 0.21 -0.04 2.88 3.26 2zyoA1 ASN 364 HB3 0.04 0.05 0.13 -0.04 2.79 2.96 2zyoA1 ASN 364 HD21 0.26 -0.15 0.04 -0.04 7.03 7.15 2zyoA1 ASN 364 HD22 0.13 0.06 -0.02 -0.04 7.74 7.87 2zyoA1 ASN 365 H -0.03 0.59 -0.03 -0.55 8.53 8.52 2zyoA1 ASN 365 HA -0.34 0.02 0.55 -0.75 4.76 4.24 2zyoA1 ASN 365 HB2 -0.06 0.11 0.20 -0.04 2.88 3.09 2zyoA1 ASN 365 HB3 -0.39 -0.04 0.02 -0.04 2.79 2.34 2zyoA1 ASN 365 HD21 0.02 -0.04 -0.04 -0.04 7.03 6.93 2zyoA1 ASN 365 HD22 0.05 -0.01 -0.04 -0.04 7.74 7.71 2zyoA1 ALA 366 H -0.01 0.53 -0.20 -0.55 8.40 8.17 2zyoA1 ALA 366 HA 0.16 -0.02 0.44 -0.75 4.34 4.16 2zyoA1 ALA 366 HB3 0.07 0.05 0.03 -0.04 1.41 1.51 2zyoA1 HIS 367 H 0.25 0.41 -0.23 -0.55 8.41 8.29 2zyoA1 HIS 367 HA 0.08 -0.00 0.49 -0.75 4.63 4.44 2zyoA1 HIS 367 HB2 0.06 0.29 0.21 -0.04 3.26 3.78 2zyoA1 HIS 367 HB3 0.08 -0.07 0.03 -0.04 3.20 3.20 2zyoA1 HIS 367 HD2 0.29 0.32 -0.07 -0.04 6.97 7.47 2zyoA1 HIS 367 HE1 0.15 -0.04 -0.12 -0.04 7.75 7.69 2zyoA1 THR 368 H -0.10 0.47 -0.11 -0.55 8.28 8.00 2zyoA1 THR 368 HA -0.15 0.06 0.48 -0.75 4.39 4.03 2zyoA1 THR 368 HB -0.45 0.11 0.25 -0.04 4.32 4.19 2zyoA1 THR 368 HG23 -0.11 -0.00 -0.05 -0.04 1.22 1.02 2zyoA1 PHE 369 H -0.35 0.62 -0.04 -0.55 8.34 8.01 2zyoA1 PHE 369 HA -0.02 0.02 0.37 -0.75 4.62 4.24 2zyoA1 PHE 369 HB2 0.00 0.07 0.09 -0.04 3.15 3.27 2zyoA1 PHE 369 HB3 -0.01 -0.09 -0.02 -0.04 3.06 2.90 2zyoA1 PHE 369 HD2 0.00 -0.03 -0.07 -0.04 7.28 7.14 2zyoA1 PHE 369 HE2 0.01 -0.02 -0.07 -0.04 7.38 7.26 2zyoA1 PHE 369 HZ 0.01 -0.02 -0.03 -0.04 7.32 7.23 2zyoA1 VAL 370 H 0.06 0.48 -0.25 -0.55 8.24 7.98 2zyoA1 VAL 370 HA 0.05 0.18 0.56 -0.75 4.13 4.17 2zyoA1 VAL 370 HB -0.00 0.11 0.16 -0.04 2.12 2.35 2zyoA1 VAL 370 HG13 0.05 -0.00 -0.07 -0.04 0.97 0.90 2zyoA1 VAL 370 HG23 0.04 0.02 -0.10 -0.04 0.95 0.86 2zyoA1 ALA 371 H -0.17 0.64 -0.00 -0.55 8.40 8.32 2zyoA1 ALA 371 HA -0.47 -0.01 0.39 -0.75 4.34 3.49 2zyoA1 ALA 371 HB3 -1.10 0.01 0.12 -0.04 1.41 0.40 2zyoA1 GLN 372 H -0.08 0.45 -0.23 -0.55 8.47 8.06 2zyoA1 GLN 372 HA -0.02 0.09 0.59 -0.75 4.36 4.27 2zyoA1 GLN 372 HB2 0.05 -0.01 0.09 -0.04 2.15 2.24 2zyoA1 GLN 372 HB3 0.03 -0.06 0.11 -0.04 2.02 2.06 2zyoA1 GLN 372 HG2 -0.01 -0.07 -0.01 -0.04 2.40 2.27 2zyoA1 GLN 372 HG3 -0.07 0.13 0.06 -0.04 2.39 2.47 2zyoA1 GLN 372 HE21 0.02 -0.08 -0.02 -0.04 6.97 6.85 2zyoA1 GLN 372 HE22 -0.01 0.05 -0.04 -0.04 7.69 7.66 2zyoA1 GLY 373 H 0.01 0.37 -0.49 -0.55 8.43 7.77 2zyoA1 GLY 373 HA2 0.03 0.06 0.31 -0.51 4.01 3.90 2zyoA1 GLY 373 HA3 0.03 0.04 0.42 -0.51 4.01 3.99 2zyoA1 LYS 374 H 0.06 0.36 -0.08 -0.55 8.42 8.21 2zyoA1 LYS 374 HA 0.01 0.10 0.53 -0.75 4.32 4.20 2zyoA1 LYS 374 HB2 0.10 0.00 0.12 -0.04 1.87 2.06 2zyoA1 LYS 374 HB3 -0.04 -0.07 0.01 -0.04 1.79 1.65 2zyoA1 LYS 374 HG2 0.02 0.01 -0.03 -0.04 1.46 1.42 2zyoA1 LYS 374 HG3 0.06 0.07 -0.12 -0.04 1.46 1.43 2zyoA1 LYS 374 HD2 0.20 -0.02 -0.02 -0.04 1.69 1.81 2zyoA1 LYS 374 HD3 0.02 -0.04 -0.01 -0.04 1.68 1.60 2zyoA1 LYS 374 HE2 0.04 -0.01 -0.02 -0.04 2.99 2.97 2zyoA1 LYS 374 HE3 0.06 0.05 -0.02 -0.04 2.99 3.05 2zyoA1 GLN 375 H 0.06 0.40 -0.07 -0.55 8.47 8.30 2zyoA1 GLN 375 HA -0.00 0.15 0.71 -0.75 4.36 4.46 2zyoA1 GLN 375 HB2 0.07 -0.04 -0.15 -0.04 2.15 1.99 2zyoA1 GLN 375 HB3 0.02 -0.06 -0.05 -0.04 2.02 1.88 2zyoA1 GLN 375 HG2 -0.07 0.04 -0.02 -0.04 2.40 2.31 2zyoA1 GLN 375 HG3 -0.13 0.02 -0.42 -0.04 2.39 1.82 2zyoA1 GLN 375 HE21 -0.09 0.02 -0.12 -0.04 6.97 6.74 2zyoA1 GLN 375 HE22 -0.08 0.00 -0.08 -0.04 7.69 7.49 2zyoA1 THR 376 H 0.01 0.08 0.11 -0.55 8.28 7.92 2zyoA1 THR 376 HA 0.02 0.27 0.62 -0.75 4.39 4.55 2zyoA1 THR 376 HB 0.01 0.05 0.14 -0.04 4.32 4.48 2zyoA1 THR 376 HG23 0.01 0.05 0.04 -0.04 1.22 1.27 2zyoA1 PRO 377 HA 0.03 0.11 0.45 -0.51 4.44 4.52 2zyoA1 PRO 377 HB2 0.01 -0.03 0.07 -0.04 2.28 2.28 2zyoA1 PRO 377 HB3 0.00 0.04 -0.01 -0.04 2.02 2.02 2zyoA1 PRO 377 HG2 0.01 0.07 0.04 -0.04 2.03 2.10 2zyoA1 PRO 377 HG3 0.02 0.14 -0.00 -0.04 2.03 2.15 2zyoA1 PRO 377 HD2 0.02 0.07 0.22 -0.04 3.68 3.94 2zyoA1 PRO 377 HD3 0.03 0.27 0.22 -0.04 3.65 4.12 2zyoA1 GLU 378 H 0.01 0.15 -0.16 -0.55 8.60 8.05 2zyoA1 GLU 378 HA 0.01 0.10 0.35 -0.75 4.29 4.00 2zyoA1 GLU 378 HB2 0.01 0.03 0.07 -0.04 2.09 2.16 2zyoA1 GLU 378 HB3 0.01 -0.03 0.05 -0.04 1.99 1.97 2zyoA1 GLU 378 HG2 0.00 0.00 -0.18 -0.04 2.34 2.13 2zyoA1 GLU 378 HG3 0.01 0.04 0.01 -0.04 2.34 2.35 2zyoA1 GLN 379 H 0.01 0.06 -0.22 -0.55 8.47 7.78 2zyoA1 GLN 379 HA 0.00 0.07 0.42 -0.75 4.36 4.09 2zyoA1 GLN 379 HB2 0.00 0.00 0.14 -0.04 2.15 2.25 2zyoA1 GLN 379 HB3 -0.01 0.06 0.00 -0.04 2.02 2.03 2zyoA1 GLN 379 HG2 -0.01 0.05 0.04 -0.04 2.40 2.44 2zyoA1 GLN 379 HG3 -0.00 -0.07 0.05 -0.04 2.39 2.32 2zyoA1 GLN 379 HE21 -0.01 0.06 0.03 -0.04 6.97 7.01 2zyoA1 GLN 379 HE22 -0.01 0.01 0.02 -0.04 7.69 7.67 2zyoA1 ALA 380 H 0.04 0.61 -0.17 -0.55 8.40 8.33 2zyoA1 ALA 380 HA 0.09 0.03 0.39 -0.75 4.34 4.09 2zyoA1 ALA 380 HB3 0.12 0.01 0.03 -0.04 1.41 1.53 2zyoA1 LEU 381 H 0.03 0.55 -0.14 -0.55 8.37 8.27 2zyoA1 LEU 381 HA 0.01 0.01 0.47 -0.75 4.35 4.09 2zyoA1 LEU 381 HB2 0.02 0.04 0.15 -0.04 1.64 1.81 2zyoA1 LEU 381 HB3 0.01 0.09 0.11 -0.04 1.64 1.81 2zyoA1 LEU 381 HG 0.05 0.08 0.06 -0.04 1.64 1.79 2zyoA1 LEU 381 HD13 0.10 -0.00 -0.21 -0.04 0.93 0.77 2zyoA1 LEU 381 HD23 0.04 0.03 0.01 -0.04 0.89 0.93 2zyoA1 ASN 382 H 0.01 0.58 -0.08 -0.55 8.53 8.50 2zyoA1 ASN 382 HA -0.00 -0.00 0.48 -0.75 4.76 4.48 2zyoA1 ASN 382 HB2 0.00 0.10 0.20 -0.04 2.88 3.15 2zyoA1 ASN 382 HB3 -0.00 -0.04 -0.00 -0.04 2.79 2.71 2zyoA1 ASN 382 HD21 0.00 -0.04 -0.02 -0.04 7.03 6.94 2zyoA1 ASN 382 HD22 0.00 -0.04 -0.04 -0.04 7.74 7.62 2zyoA1 ASP 383 H 0.02 0.54 -0.17 -0.55 8.40 8.24 2zyoA1 ASP 383 HA 0.01 0.02 0.47 -0.75 4.63 4.37 2zyoA1 ASP 383 HB2 0.05 0.12 0.15 -0.04 2.71 2.99 2zyoA1 ASP 383 HB3 0.03 -0.05 -0.01 -0.04 2.70 2.63 2zyoA1 ALA 384 H 0.03 0.53 -0.16 -0.55 8.40 8.26 2zyoA1 ALA 384 HA 0.03 -0.00 0.40 -0.75 4.34 4.01 2zyoA1 ALA 384 HB3 -0.01 0.01 0.00 -0.04 1.41 1.37 2zyoA1 VAL 385 H -0.02 0.64 -0.15 -0.55 8.24 8.16 2zyoA1 VAL 385 HA -0.06 -0.02 0.42 -0.75 4.13 3.72 2zyoA1 VAL 385 HB -0.03 0.14 0.10 -0.04 2.12 2.30 2zyoA1 VAL 385 HG13 -0.03 -0.01 -0.10 -0.04 0.97 0.79 2zyoA1 VAL 385 HG23 -0.08 -0.01 -0.13 -0.04 0.95 0.69 2zyoA1 LYS 386 H -0.01 0.51 -0.15 -0.55 8.42 8.22 2zyoA1 LYS 386 HA -0.00 0.00 0.46 -0.75 4.32 4.02 2zyoA1 LYS 386 HB2 -0.00 0.06 0.15 -0.04 1.87 2.04 2zyoA1 LYS 386 HB3 0.00 0.14 0.17 -0.04 1.79 2.06 2zyoA1 LYS 386 HG2 0.00 -0.01 -0.00 -0.04 1.46 1.40 2zyoA1 LYS 386 HG3 0.00 -0.01 -0.16 -0.04 1.46 1.25 2zyoA1 LYS 386 HD2 0.00 -0.03 0.09 -0.04 1.69 1.71 2zyoA1 LYS 386 HD3 -0.00 0.00 0.03 -0.04 1.68 1.67 2zyoA1 LYS 386 HE2 0.00 -0.00 0.00 -0.04 2.99 2.95 2zyoA1 LYS 386 HE3 0.00 0.00 -0.01 -0.04 2.99 2.94 2zyoA1 ILE 387 H 0.01 0.50 -0.21 -0.55 8.25 8.00 2zyoA1 ILE 387 HA 0.01 0.01 0.46 -0.75 4.18 3.91 2zyoA1 ILE 387 HB 0.02 0.13 0.22 -0.04 1.89 2.21 2zyoA1 ILE 387 HG12 0.03 -0.05 0.04 -0.04 1.49 1.47 2zyoA1 ILE 387 HG13 0.02 0.08 0.08 -0.04 1.21 1.35 2zyoA1 ILE 387 HG23 0.02 -0.02 -0.07 -0.04 0.93 0.82 2zyoA1 ILE 387 HD13 0.06 -0.02 -0.04 -0.04 0.88 0.83 2zyoA1 MET 388 H -0.02 0.55 -0.04 -0.55 8.47 8.42 2zyoA1 MET 388 HA -0.01 0.06 0.44 -0.75 4.52 4.26 2zyoA1 MET 388 HB2 -0.04 0.14 0.23 -0.04 2.15 2.44 2zyoA1 MET 388 HB3 -0.02 -0.06 -0.03 -0.04 2.03 1.88 2zyoA1 MET 388 HG2 -0.08 0.01 0.09 -0.04 2.63 2.61 2zyoA1 MET 388 HG3 -0.06 0.17 0.12 -0.04 2.56 2.75 2zyoA1 MET 388 HE3 -0.21 0.01 -0.08 -0.04 2.10 1.78 2zyoA1 LYS 389 H -0.00 0.59 -0.11 -0.55 8.42 8.35 2zyoA1 LYS 389 HA 0.02 0.01 0.33 -0.75 4.32 3.93 2zyoA1 LYS 389 HB2 0.01 0.11 0.13 -0.04 1.87 2.07 2zyoA1 LYS 389 HB3 0.01 -0.04 0.07 -0.04 1.79 1.79 2zyoA1 LYS 389 HG2 0.02 -0.02 0.06 -0.04 1.46 1.48 2zyoA1 LYS 389 HG3 -0.00 0.16 0.11 -0.04 1.46 1.70 2zyoA1 LYS 389 HD2 -0.00 -0.07 -0.03 -0.04 1.69 1.55 2zyoA1 LYS 389 HD3 0.00 -0.00 -0.02 -0.04 1.68 1.61 2zyoA1 LYS 389 HE2 0.01 -0.03 0.03 -0.04 2.99 2.96 2zyoA1 LYS 389 HE3 0.01 -0.01 0.04 -0.04 2.99 2.99 2zyoA1 GLU 390 H 0.01 0.41 -0.24 -0.55 8.60 8.23 2zyoA1 GLU 390 HA 0.01 0.06 0.62 -0.75 4.29 4.22 2zyoA1 GLU 390 HB2 0.01 0.06 0.14 -0.04 2.09 2.25 2zyoA1 GLU 390 HB3 0.01 0.10 0.14 -0.04 1.99 2.20 2zyoA1 GLU 390 HG2 0.01 -0.03 -0.08 -0.04 2.34 2.19 2zyoA1 GLU 390 HG3 0.00 -0.02 0.05 -0.04 2.34 2.34 2zyoA1 LYS 391 H 0.01 0.52 -0.05 -0.55 8.42 8.34 2zyoA1 LYS 391 HA 0.01 -0.00 0.46 -0.75 4.32 4.03 2zyoA1 LYS 391 HB2 0.01 0.16 0.22 -0.04 1.87 2.22 2zyoA1 LYS 391 HB3 0.01 -0.11 0.07 -0.04 1.79 1.72 2zyoA1 LYS 391 HG2 0.01 0.08 0.10 -0.04 1.46 1.61 2zyoA1 LYS 391 HG3 0.01 -0.02 0.04 -0.04 1.46 1.46 2zyoA1 LYS 391 HD2 0.01 -0.03 0.07 -0.04 1.69 1.70 2zyoA1 LYS 391 HD3 0.01 -0.01 0.02 -0.04 1.68 1.66 2zyoA1 LYS 391 HE2 0.02 -0.01 0.03 -0.04 2.99 3.00 2zyoA1 LYS 391 HE3 0.01 -0.02 0.04 -0.04 2.99 2.98 2zyoA1 ILE 392 H 0.02 0.51 -0.17 -0.55 8.25 8.05 2zyoA1 ILE 392 HA 0.01 -0.03 0.45 -0.75 4.18 3.85 2zyoA1 ILE 392 HB 0.03 0.12 0.10 -0.04 1.89 2.10 2zyoA1 ILE 392 HG12 0.04 -0.16 0.03 -0.04 1.49 1.37 2zyoA1 ILE 392 HG13 0.05 0.07 0.00 -0.04 1.21 1.29 2zyoA1 ILE 392 HG23 0.01 -0.01 -0.17 -0.04 0.93 0.71 2zyoA1 ILE 392 HD13 0.14 0.00 -0.10 -0.04 0.88 0.88 2zyoA1 GLN 393 H 0.01 0.33 -0.28 -0.55 8.47 7.97 2zyoA1 GLN 393 HA 0.00 0.10 0.55 -0.75 4.36 4.26 2zyoA1 GLN 393 HB2 0.01 -0.01 0.09 -0.04 2.15 2.20 2zyoA1 GLN 393 HB3 0.00 0.08 0.08 -0.04 2.02 2.14 2zyoA1 GLN 393 HG2 0.00 -0.05 0.05 -0.04 2.40 2.36 2zyoA1 GLN 393 HG3 0.00 0.04 0.13 -0.04 2.39 2.53 2zyoA1 GLN 393 HE21 0.00 -0.05 -0.02 -0.04 6.97 6.86 2zyoA1 GLN 393 HE22 0.00 0.02 -0.00 -0.04 7.69 7.67 2zyoA1 THR 394 H 0.00 0.16 -0.55 -0.55 8.28 7.35 2zyoA1 THR 394 HA 0.00 0.07 0.33 -0.75 4.39 4.04 2zyoA1 THR 394 HB 0.00 -0.05 0.25 -0.04 4.32 4.49 2zyoA1 THR 394 HG23 0.00 -0.02 -0.05 -0.04 1.22 1.11 2zyoA1 MET 395 H -0.00 0.14 0.10 -0.55 8.47 8.16 2zyoA1 MET 395 HA -0.00 0.21 0.60 -0.75 4.52 4.57 2zyoA1 MET 395 HB2 -0.01 -0.02 0.05 -0.04 2.15 2.13 2zyoA1 MET 395 HB3 -0.01 -0.01 0.09 -0.04 2.03 2.06 2zyoA1 MET 395 HG2 -0.00 0.04 -0.03 -0.04 2.63 2.59 2zyoA1 MET 395 HG3 -0.00 -0.05 -0.08 -0.04 2.56 2.38 2zyoA1 MET 395 HE3 -0.00 -0.00 0.02 -0.04 2.10 2.07 2zyoA1 LYS 396 H -0.00 0.11 -0.27 -0.55 8.42 7.70 2zyoA1 LYS 396 HA -0.01 0.01 0.40 -0.75 4.32 3.96 2zyoA1 LYS 396 HB2 -0.01 0.34 0.07 -0.04 1.87 2.24 2zyoA1 LYS 396 HB3 -0.01 -0.11 -0.02 -0.04 1.79 1.60 2zyoA1 LYS 396 HG2 -0.01 -0.04 -0.05 -0.04 1.46 1.31 2zyoA1 LYS 396 HG3 -0.01 -0.03 0.01 -0.04 1.46 1.39 2zyoA1 LYS 396 HD2 -0.00 0.17 0.09 -0.04 1.69 1.91 2zyoA1 LYS 396 HD3 -0.02 -0.14 -0.11 -0.04 1.68 1.37 2zyoA1 LYS 396 HE2 0.01 0.07 -0.07 -0.04 2.99 2.96 2zyoA1 LYS 396 HE3 0.01 -0.09 -0.06 -0.04 2.99 2.81 2zyoA1 GLN 397 H -0.01 0.09 0.07 -0.55 8.47 8.06 2zyoA1 GLN 397 HA -0.01 0.27 0.67 -0.75 4.36 4.54 2zyoA1 GLN 397 HB2 -0.01 0.01 0.05 -0.04 2.15 2.17 2zyoA1 GLN 397 HB3 -0.01 0.09 -0.08 -0.04 2.02 1.98 2zyoA1 GLN 397 HG2 -0.01 -0.05 0.07 -0.04 2.40 2.37 2zyoA1 GLN 397 HG3 -0.01 0.03 0.02 -0.04 2.39 2.39 2zyoA1 GLN 397 HE21 -0.02 0.04 0.03 -0.04 6.97 6.98 2zyoA1 GLN 397 HE22 -0.02 -0.06 0.05 -0.04 7.69 7.61