============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 2 1.040 32.622 50.589 46.797 -99.200 -91.000 TRP6 2 1.020 33.142 48.936 48.407 -99.200 -91.000 HIS 3 0.900 30.163 56.610 42.752 -99.200 -91.000 TYR 9 0.840 30.673 49.060 35.695 -99.200 -91.000 PHE 37 1.000 37.632 30.764 32.490 -99.200 -91.000 PHE 47 1.000 29.866 27.997 36.586 -99.200 -91.000 TRP 49 1.040 28.445 36.576 35.046 -99.200 -91.000 TRP6 49 1.020 26.573 35.160 35.285 -99.200 -91.000 TYR 74 0.840 20.866 38.438 37.156 -99.200 -91.000 PHE 93 1.000 17.201 19.612 45.150 -99.200 -91.000 PHE 98 1.000 18.122 27.631 55.437 -99.200 -91.000 TYR 110 0.840 19.613 23.703 41.571 -99.200 -91.000 HIS 121 0.900 17.462 5.033 34.169 -99.200 -91.000 PHE 142 1.000 16.825 28.524 44.613 -99.200 -91.000 PHE 143 1.000 15.311 31.628 34.592 -99.200 -91.000 TYR 156 0.840 21.964 30.171 31.541 -99.200 -91.000 TYR 163 0.840 21.476 39.014 25.476 -99.200 -91.000 TYR 168 0.840 24.436 45.713 35.614 -99.200 -91.000 PHE 174 1.000 24.964 55.077 44.233 -99.200 -91.000 PHE 186 1.000 33.643 37.395 45.895 -99.200 -91.000 PHE 189 1.000 28.354 35.563 47.540 -99.200 -91.000 TYR 191 0.840 31.610 37.174 58.117 -99.200 -91.000 PHE 205 1.000 21.486 14.838 70.360 -99.200 -91.000 HIS 226 0.900 12.674 16.756 78.256 -99.200 -91.000 TYR 227 0.840 18.259 14.311 78.566 -99.200 -91.000 TYR 237 0.840 19.934 6.892 76.891 -99.200 -91.000 TYR 255 0.840 5.621 14.242 69.647 -99.200 -91.000 TYR 271 0.840 18.149 0.946 76.217 -99.200 -91.000 TYR 274 0.840 22.380 8.399 70.707 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ziuA1 GLY 311 HA2 0.09 -0.13 0.25 -0.51 4.01 3.70 2ziuA1 GLY 311 HA3 0.06 0.03 0.19 -0.51 4.01 3.78 2ziuA1 TRP 312 H 0.29 0.00 0.08 -0.55 7.97 7.80 2ziuA1 TRP 312 HA -0.03 0.03 0.37 -0.75 4.62 4.23 2ziuA1 TRP 312 HB2 -0.06 0.01 0.09 -0.04 3.23 3.23 2ziuA1 TRP 312 HB3 -0.00 -0.04 0.13 -0.04 3.23 3.28 2ziuA1 TRP 312 HD1 -0.05 0.06 -0.62 -0.04 7.22 6.57 2ziuA1 TRP 312 HE1 0.01 -0.01 -0.27 -0.04 10.20 9.88 2ziuA1 TRP 312 HE3 0.01 0.02 0.02 -0.04 7.59 7.61 2ziuA1 TRP 312 HZ2 0.04 -0.02 -0.08 -0.04 7.44 7.33 2ziuA1 TRP 312 HZ3 0.02 0.01 0.02 -0.04 7.13 7.13 2ziuA1 TRP 312 HH2 0.04 -0.08 0.06 -0.04 7.19 7.16 2ziuA1 HIS 313 H -0.04 0.20 0.20 -0.55 8.41 8.22 2ziuA1 HIS 313 HA -0.03 0.24 0.80 -0.75 4.63 4.89 2ziuA1 HIS 313 HB2 -0.81 0.05 -0.12 -0.04 3.26 2.36 2ziuA1 HIS 313 HB3 -0.45 0.11 -0.19 -0.04 3.20 2.62 2ziuA1 HIS 313 HD2 -0.01 0.07 -0.03 -0.04 6.97 6.95 2ziuA1 HIS 313 HE1 -0.04 -0.05 -0.12 -0.04 7.75 7.50 2ziuA1 LEU 314 H 0.17 0.71 0.28 -0.55 8.37 8.98 2ziuA1 LEU 314 HA 0.08 0.11 0.86 -0.75 4.35 4.65 2ziuA1 LEU 314 HB2 0.31 -0.02 0.07 -0.04 1.64 1.96 2ziuA1 LEU 314 HB3 0.27 0.01 -0.07 -0.04 1.64 1.81 2ziuA1 LEU 314 HG 0.35 0.04 -0.15 -0.04 1.64 1.83 2ziuA1 LEU 314 HD13 0.19 -0.00 -0.21 -0.04 0.93 0.86 2ziuA1 LEU 314 HD23 0.08 0.01 -0.22 -0.04 0.89 0.71 2ziuA1 SER 315 H 0.07 0.14 0.16 -0.55 8.46 8.27 2ziuA1 SER 315 HA 0.08 0.18 0.88 -0.75 4.49 4.87 2ziuA1 SER 315 HB2 0.04 -0.03 0.11 -0.04 3.95 4.03 2ziuA1 SER 315 HB3 0.01 0.07 0.06 -0.04 3.93 4.03 2ziuA1 PRO 316 HA -0.63 0.05 0.40 -0.51 4.44 3.75 2ziuA1 PRO 316 HB2 -0.09 0.06 0.11 -0.04 2.28 2.32 2ziuA1 PRO 316 HB3 -0.02 0.07 0.10 -0.04 2.02 2.13 2ziuA1 PRO 316 HG2 -0.04 -0.01 0.01 -0.04 2.03 1.95 2ziuA1 PRO 316 HG3 -0.01 0.06 -0.05 -0.04 2.03 1.99 2ziuA1 PRO 316 HD2 -0.00 0.03 0.15 -0.04 3.68 3.81 2ziuA1 PRO 316 HD3 0.04 0.17 -0.18 -0.04 3.65 3.64 2ziuA1 GLY 317 H -0.47 0.20 0.19 -0.55 8.43 7.81 2ziuA1 GLY 317 HA2 -0.16 0.02 0.45 -0.51 4.01 3.81 2ziuA1 GLY 317 HA3 -0.13 0.07 0.45 -0.51 4.01 3.90 2ziuA1 SER 318 H -0.29 0.60 -0.66 -0.55 8.46 7.56 2ziuA1 SER 318 HA -0.07 0.13 0.80 -0.75 4.49 4.59 2ziuA1 SER 318 HB2 -0.04 -0.06 0.20 -0.04 3.95 4.01 2ziuA1 SER 318 HB3 -0.07 0.02 0.10 -0.04 3.93 3.95 2ziuA1 TYR 319 H -0.47 0.01 -0.20 -0.55 8.29 7.09 2ziuA1 TYR 319 HA -0.00 0.21 0.96 -0.75 4.56 4.98 2ziuA1 TYR 319 HB2 0.01 -0.09 -0.05 -0.04 3.06 2.89 2ziuA1 TYR 319 HB3 0.02 -0.03 -0.19 -0.04 2.98 2.74 2ziuA1 TYR 319 HD2 0.02 0.01 -0.59 -0.04 7.15 6.55 2ziuA1 TYR 319 HE2 0.05 0.13 -0.10 -0.04 6.85 6.89 2ziuA1 ASP 320 H 0.21 0.30 0.20 -0.55 8.40 8.56 2ziuA1 ASP 320 HA 0.22 0.08 0.59 -0.75 4.63 4.77 2ziuA1 ASP 320 HB2 0.07 0.06 -0.06 -0.04 2.71 2.73 2ziuA1 ASP 320 HB3 0.07 -0.02 -0.09 -0.04 2.70 2.62 2ziuA1 ILE 321 H 0.07 0.21 0.14 -0.55 8.25 8.13 2ziuA1 ILE 321 HA -0.02 0.40 1.06 -0.75 4.18 4.87 2ziuA1 ILE 321 HB -0.00 -0.01 0.15 -0.04 1.89 1.99 2ziuA1 ILE 321 HG12 -0.32 0.01 -0.14 -0.04 1.49 1.00 2ziuA1 ILE 321 HG13 -0.23 -0.09 -0.20 -0.04 1.21 0.65 2ziuA1 ILE 321 HG23 0.01 -0.02 -0.19 -0.04 0.93 0.69 2ziuA1 ILE 321 HD13 -0.34 0.01 -0.10 -0.04 0.88 0.41 2ziuA1 VAL 322 H 0.08 0.57 0.33 -0.55 8.24 8.67 2ziuA1 VAL 322 HA 0.14 0.22 1.12 -0.75 4.13 4.86 2ziuA1 VAL 322 HB 0.03 -0.06 0.06 -0.04 2.12 2.10 2ziuA1 VAL 322 HG13 0.04 0.09 -0.03 -0.04 0.97 1.03 2ziuA1 VAL 322 HG23 0.03 0.01 -0.19 -0.04 0.95 0.76 2ziuA1 LEU 323 H 0.22 0.28 0.26 -0.55 8.37 8.58 2ziuA1 LEU 323 HA -0.41 0.07 0.58 -0.75 4.35 3.84 2ziuA1 LEU 323 HB2 0.35 0.01 0.06 -0.04 1.64 2.02 2ziuA1 LEU 323 HB3 0.19 0.05 0.09 -0.04 1.64 1.93 2ziuA1 LEU 323 HG 0.02 -0.05 -0.43 -0.04 1.64 1.14 2ziuA1 LEU 323 HD13 -0.64 0.01 -0.04 -0.04 0.93 0.21 2ziuA1 LEU 323 HD23 0.05 -0.01 -0.16 -0.04 0.89 0.73 2ziuA1 CYS 324 H -0.34 0.75 0.46 -0.55 8.50 8.82 2ziuA1 CYS 324 HA -0.00 0.18 1.05 -0.75 4.58 5.05 2ziuA1 CYS 324 HB2 -0.07 0.01 0.10 -0.04 2.97 2.97 2ziuA1 CYS 324 HB3 -0.03 -0.03 -0.07 -0.04 2.97 2.80 2ziuA1 VAL 325 H 0.07 0.42 0.03 -0.55 8.24 8.21 2ziuA1 VAL 325 HA -0.21 0.17 0.92 -0.75 4.13 4.25 2ziuA1 VAL 325 HB 0.19 -0.03 -0.10 -0.04 2.12 2.15 2ziuA1 VAL 325 HG13 -0.07 0.05 -0.21 -0.04 0.97 0.69 2ziuA1 VAL 325 HG23 0.20 -0.02 -0.20 -0.04 0.95 0.89 2ziuA1 ASP 326 H -0.47 0.51 0.24 -0.55 8.40 8.13 2ziuA1 ASP 326 HA -0.08 0.10 0.38 -0.75 4.63 4.28 2ziuA1 ASP 326 HB2 -0.19 0.13 0.13 -0.04 2.71 2.74 2ziuA1 ASP 326 HB3 -0.26 -0.11 0.18 -0.04 2.70 2.47 2ziuA1 LEU 327 H -0.03 0.16 0.27 -0.55 8.37 8.22 2ziuA1 LEU 327 HA -0.01 0.15 0.34 -0.75 4.35 4.07 2ziuA1 LEU 327 HB2 -0.01 -0.14 0.16 -0.04 1.64 1.61 2ziuA1 LEU 327 HB3 -0.01 0.03 -0.02 -0.04 1.64 1.60 2ziuA1 LEU 327 HG -0.00 0.46 0.00 -0.04 1.64 2.06 2ziuA1 LEU 327 HD13 0.00 -0.03 -0.04 -0.04 0.93 0.82 2ziuA1 LEU 327 HD23 0.00 -0.01 -0.03 -0.04 0.89 0.81 2ziuA1 CYS 328 H -0.04 0.06 -0.06 -0.55 8.50 7.91 2ziuA1 CYS 328 HA -0.02 0.12 0.35 -0.75 4.58 4.28 2ziuA1 CYS 328 HB2 -0.05 -0.03 -0.01 -0.04 2.97 2.84 2ziuA1 CYS 328 HB3 -0.02 -0.01 0.01 -0.04 2.97 2.91 2ziuA1 GLU 329 H -0.11 0.15 -0.63 -0.55 8.60 7.46 2ziuA1 GLU 329 HA -0.05 -0.04 0.34 -0.75 4.29 3.80 2ziuA1 GLU 329 HB2 -0.32 -0.10 0.09 -0.04 2.09 1.71 2ziuA1 GLU 329 HB3 -0.22 0.19 -0.02 -0.04 1.99 1.90 2ziuA1 GLU 329 HG2 -0.45 -0.00 0.01 -0.04 2.34 1.86 2ziuA1 GLU 329 HG3 0.07 -0.05 0.08 -0.04 2.34 2.40 2ziuA1 THR 330 H -0.02 0.62 -0.61 -0.55 8.28 7.72 2ziuA1 THR 330 HA 0.02 0.11 0.80 -0.75 4.39 4.57 2ziuA1 THR 330 HB 0.03 -0.07 -0.19 -0.04 4.32 4.05 2ziuA1 THR 330 HG23 0.03 0.06 -0.05 -0.04 1.22 1.21 2ziuA1 THR 331 H 0.02 0.21 0.24 -0.55 8.28 8.21 2ziuA1 THR 331 HA 0.01 0.02 0.22 -0.75 4.39 3.88 2ziuA1 THR 331 HB 0.02 -0.06 0.13 -0.04 4.32 4.37 2ziuA1 THR 331 HG23 0.02 0.06 0.08 -0.04 1.22 1.34 2ziuA1 GLY 332 H 0.01 0.11 0.24 -0.55 8.43 8.25 2ziuA1 GLY 332 HA2 0.01 0.25 0.65 -0.51 4.01 4.41 2ziuA1 GLY 332 HA3 0.01 0.08 0.18 -0.51 4.01 3.77 2ziuA1 LYS 338 HA 0.02 -0.09 0.10 -0.75 4.32 3.60 2ziuA1 LYS 338 HB2 0.01 -0.04 0.05 -0.04 1.87 1.85 2ziuA1 LYS 338 HB3 0.01 0.07 -0.11 -0.04 1.79 1.72 2ziuA1 LYS 338 HG2 0.02 -0.06 -0.07 -0.04 1.46 1.31 2ziuA1 LYS 338 HG3 0.01 -0.06 -0.02 -0.04 1.46 1.35 2ziuA1 LYS 338 HD2 0.00 0.34 -0.22 -0.04 1.69 1.77 2ziuA1 LYS 338 HD3 0.01 -0.05 -0.08 -0.04 1.68 1.52 2ziuA1 LYS 338 HE2 0.01 -0.09 -0.34 -0.04 2.99 2.53 2ziuA1 LYS 338 HE3 0.01 -0.14 -1.03 -0.04 2.99 1.79 2ziuA1 GLN 339 H 0.02 0.02 0.12 -0.55 8.47 8.08 2ziuA1 GLN 339 HA 0.02 0.27 1.00 -0.75 4.36 4.89 2ziuA1 GLN 339 HB2 0.02 0.09 0.03 -0.04 2.15 2.25 2ziuA1 GLN 339 HB3 0.02 -0.14 0.19 -0.04 2.02 2.05 2ziuA1 GLN 339 HG2 0.02 0.04 0.01 -0.04 2.40 2.43 2ziuA1 GLN 339 HG3 0.02 -0.08 -0.09 -0.04 2.39 2.21 2ziuA1 GLN 339 HE21 0.05 0.08 0.03 -0.04 6.97 7.09 2ziuA1 GLN 339 HE22 0.04 -0.12 0.00 -0.04 7.69 7.58 2ziuA1 GLU 340 H 0.01 0.14 0.17 -0.55 8.60 8.37 2ziuA1 GLU 340 HA 0.01 0.09 0.39 -0.75 4.29 4.02 2ziuA1 GLU 340 HB2 0.01 -0.17 0.15 -0.04 2.09 2.05 2ziuA1 GLU 340 HB3 0.01 -0.02 0.08 -0.04 1.99 2.02 2ziuA1 GLU 340 HG2 0.01 -0.01 0.18 -0.04 2.34 2.48 2ziuA1 GLU 340 HG3 0.01 -0.00 0.11 -0.04 2.34 2.42 2ziuA1 LEU 341 H 0.01 0.09 -0.06 -0.55 8.37 7.86 2ziuA1 LEU 341 HA -0.03 -0.04 0.26 -0.75 4.35 3.80 2ziuA1 LEU 341 HB2 0.02 -0.14 0.05 -0.04 1.64 1.52 2ziuA1 LEU 341 HB3 0.03 0.15 -0.02 -0.04 1.64 1.76 2ziuA1 LEU 341 HG -0.07 -0.05 -0.04 -0.04 1.64 1.44 2ziuA1 LEU 341 HD13 -0.00 0.00 -0.10 -0.04 0.93 0.79 2ziuA1 LEU 341 HD23 -0.01 0.05 -0.32 -0.04 0.89 0.57 2ziuA1 VAL 342 H -0.02 0.45 -0.23 -0.55 8.24 7.88 2ziuA1 VAL 342 HA -0.29 0.08 0.42 -0.75 4.13 3.59 2ziuA1 VAL 342 HB 0.02 0.01 0.14 -0.04 2.12 2.25 2ziuA1 VAL 342 HG13 0.09 0.00 -0.02 -0.04 0.97 1.00 2ziuA1 VAL 342 HG23 -0.00 -0.00 0.05 -0.04 0.95 0.95 2ziuA1 LYS 343 H -0.00 0.40 -0.02 -0.55 8.42 8.24 2ziuA1 LYS 343 HA 0.06 0.13 0.55 -0.75 4.32 4.30 2ziuA1 LYS 343 HB2 0.03 0.02 0.04 -0.04 1.87 1.92 2ziuA1 LYS 343 HB3 0.03 0.02 0.06 -0.04 1.79 1.86 2ziuA1 LYS 343 HG2 0.01 0.06 0.04 -0.04 1.46 1.54 2ziuA1 LYS 343 HG3 0.01 -0.02 -0.01 -0.04 1.46 1.40 2ziuA1 LYS 343 HD2 0.01 -0.07 -0.00 -0.04 1.69 1.59 2ziuA1 LYS 343 HD3 0.02 0.03 -0.04 -0.04 1.68 1.65 2ziuA1 LYS 343 HE2 0.02 0.03 -0.01 -0.04 2.99 2.98 2ziuA1 LYS 343 HE3 0.02 0.05 -0.02 -0.04 2.99 3.00 2ziuA1 GLU 344 H -0.01 0.60 -0.03 -0.55 8.60 8.61 2ziuA1 GLU 344 HA 0.01 0.06 0.40 -0.75 4.29 4.00 2ziuA1 GLU 344 HB2 -0.01 0.04 -0.02 -0.04 2.09 2.06 2ziuA1 GLU 344 HB3 -0.02 0.03 -0.05 -0.04 1.99 1.91 2ziuA1 GLU 344 HG2 0.01 0.01 0.01 -0.04 2.34 2.32 2ziuA1 GLU 344 HG3 0.00 -0.17 0.02 -0.04 2.34 2.15 2ziuA1 LEU 345 H -0.07 0.26 -0.77 -0.55 8.37 7.25 2ziuA1 LEU 345 HA -0.03 0.06 0.57 -0.75 4.35 4.20 2ziuA1 LEU 345 HB2 -0.26 0.32 0.19 -0.04 1.64 1.84 2ziuA1 LEU 345 HB3 -0.48 0.12 0.02 -0.04 1.64 1.25 2ziuA1 LEU 345 HG -0.10 -0.02 -0.02 -0.04 1.64 1.46 2ziuA1 LEU 345 HD13 -0.09 -0.03 -0.02 -0.04 0.93 0.76 2ziuA1 LEU 345 HD23 -0.46 -0.01 -0.10 -0.04 0.89 0.28 2ziuA1 GLN 346 H 0.05 0.27 -0.20 -0.55 8.47 8.04 2ziuA1 GLN 346 HA 0.19 0.11 0.77 -0.75 4.36 4.67 2ziuA1 GLN 346 HB2 0.12 0.03 0.27 -0.04 2.15 2.53 2ziuA1 GLN 346 HB3 0.11 -0.03 0.09 -0.04 2.02 2.14 2ziuA1 GLN 346 HG2 0.22 -0.00 0.09 -0.04 2.40 2.67 2ziuA1 GLN 346 HG3 0.60 0.05 0.03 -0.04 2.39 3.03 2ziuA1 GLN 346 HE21 0.17 -0.03 -0.00 -0.04 6.97 7.06 2ziuA1 GLN 346 HE22 0.15 0.03 0.03 -0.04 7.69 7.86 2ziuA1 ARG 347 H 0.04 0.38 -0.04 -0.55 8.46 8.28 2ziuA1 ARG 347 HA 0.04 0.09 0.53 -0.75 4.34 4.24 2ziuA1 ARG 347 HB2 0.02 -0.01 0.13 -0.04 1.90 1.99 2ziuA1 ARG 347 HB3 0.02 -0.02 0.05 -0.04 1.80 1.81 2ziuA1 ARG 347 HG2 0.02 -0.01 0.01 -0.04 1.67 1.66 2ziuA1 ARG 347 HG3 0.03 0.10 -0.03 -0.04 1.67 1.73 2ziuA1 ARG 347 HD2 0.02 -0.04 -0.13 -0.04 3.22 3.02 2ziuA1 ARG 347 HD3 0.02 -0.11 -0.30 -0.04 3.22 2.78 2ziuA1 ASN 348 H 0.04 0.09 -0.69 -0.55 8.53 7.42 2ziuA1 ASN 348 HA 0.03 0.11 0.56 -0.75 4.76 4.71 2ziuA1 ASN 348 HB2 0.04 0.06 -0.02 -0.04 2.88 2.92 2ziuA1 ASN 348 HB3 0.04 -0.03 0.06 -0.04 2.79 2.81 2ziuA1 ASN 348 HD21 0.02 -0.11 -0.07 -0.04 7.03 6.82 2ziuA1 ASN 348 HD22 0.02 -0.02 -0.51 -0.04 7.74 7.19 2ziuA1 SER 349 H 0.06 0.20 -0.84 -0.55 8.46 7.33 2ziuA1 SER 349 HA 0.07 0.05 0.29 -0.75 4.49 4.14 2ziuA1 SER 349 HB2 0.04 0.16 -0.02 -0.04 3.95 4.09 2ziuA1 SER 349 HB3 0.04 -0.06 0.14 -0.04 3.93 4.01 2ziuA1 VAL 350 H 0.14 0.36 0.12 -0.55 8.24 8.32 2ziuA1 VAL 350 HA 0.11 0.18 0.94 -0.75 4.13 4.60 2ziuA1 VAL 350 HB 0.19 0.02 0.03 -0.04 2.12 2.32 2ziuA1 VAL 350 HG13 0.17 -0.01 -0.13 -0.04 0.97 0.96 2ziuA1 VAL 350 HG23 0.07 -0.03 -0.20 -0.04 0.95 0.76 2ziuA1 THR 351 H 0.11 0.19 0.12 -0.55 8.28 8.15 2ziuA1 THR 351 HA -0.00 0.14 0.80 -0.75 4.39 4.58 2ziuA1 THR 351 HB -0.02 0.02 -0.00 -0.04 4.32 4.28 2ziuA1 THR 351 HG23 0.01 0.01 -0.05 -0.04 1.22 1.15 2ziuA1 PHE 352 H -0.33 0.27 0.16 -0.55 8.34 7.89 2ziuA1 PHE 352 HA 0.02 0.35 0.98 -0.75 4.62 5.21 2ziuA1 PHE 352 HB2 0.03 -0.03 -0.19 -0.04 3.15 2.92 2ziuA1 PHE 352 HB3 0.04 -0.03 -0.19 -0.04 3.06 2.84 2ziuA1 PHE 352 HD2 0.03 0.07 -0.19 -0.04 7.28 7.15 2ziuA1 PHE 352 HE2 0.02 0.01 -0.03 -0.04 7.38 7.34 2ziuA1 PHE 352 HZ 0.02 -0.02 0.01 -0.04 7.32 7.29 2ziuA1 ASP 353 H 0.05 0.61 0.27 -0.55 8.40 8.80 2ziuA1 ASP 353 HA -0.10 0.14 0.84 -0.75 4.63 4.75 2ziuA1 ASP 353 HB2 -0.06 0.03 -0.01 -0.04 2.71 2.62 2ziuA1 ASP 353 HB3 -0.04 0.04 0.13 -0.04 2.70 2.79 2ziuA1 VAL 354 H -0.02 0.19 0.08 -0.55 8.24 7.95 2ziuA1 VAL 354 HA 0.07 0.37 0.66 -0.75 4.13 4.48 2ziuA1 VAL 354 HB 0.03 -0.05 0.20 -0.04 2.12 2.26 2ziuA1 VAL 354 HG13 0.04 0.02 -0.08 -0.04 0.97 0.91 2ziuA1 VAL 354 HG23 0.22 0.00 -0.05 -0.04 0.95 1.08 2ziuA1 ARG 355 H -0.01 0.29 -0.04 -0.55 8.46 8.15 2ziuA1 ARG 355 HA -0.00 0.17 0.62 -0.75 4.34 4.37 2ziuA1 ARG 355 HB2 0.01 -0.15 0.11 -0.04 1.90 1.82 2ziuA1 ARG 355 HB3 -0.06 0.01 -0.07 -0.04 1.80 1.63 2ziuA1 ARG 355 HG2 -0.03 0.11 -0.09 -0.04 1.67 1.61 2ziuA1 ARG 355 HG3 0.06 -0.04 -0.38 -0.04 1.67 1.28 2ziuA1 ARG 355 HD2 -0.18 -0.00 -0.16 -0.04 3.22 2.84 2ziuA1 ARG 355 HD3 -0.25 0.00 -0.11 -0.04 3.22 2.82 2ziuA1 LYS 356 H 0.07 0.20 0.05 -0.55 8.42 8.18 2ziuA1 LYS 356 HA 0.02 0.02 0.93 -0.75 4.32 4.54 2ziuA1 LYS 356 HB2 0.02 0.04 -0.03 -0.04 1.87 1.87 2ziuA1 LYS 356 HB3 0.06 0.00 0.13 -0.04 1.79 1.93 2ziuA1 LYS 356 HG2 0.02 0.02 -0.06 -0.04 1.46 1.39 2ziuA1 LYS 356 HG3 0.03 -0.00 -0.29 -0.04 1.46 1.15 2ziuA1 LYS 356 HD2 0.01 -0.06 -0.01 -0.04 1.69 1.58 2ziuA1 LYS 356 HD3 0.00 -0.02 -0.01 -0.04 1.68 1.61 2ziuA1 LYS 356 HE2 -0.00 -0.00 -0.08 -0.04 2.99 2.85 2ziuA1 LYS 356 HE3 -0.01 0.05 -0.28 -0.04 2.99 2.71 2ziuA1 LEU 357 H 0.02 0.09 0.06 -0.55 8.37 7.98 2ziuA1 LEU 357 HA 0.15 0.11 0.64 -0.75 4.35 4.50 2ziuA1 LEU 357 HB2 -0.01 0.02 0.03 -0.04 1.64 1.65 2ziuA1 LEU 357 HB3 0.09 0.17 -0.20 -0.04 1.64 1.65 2ziuA1 LEU 357 HG 0.05 -0.10 -0.39 -0.04 1.64 1.16 2ziuA1 LEU 357 HD13 -0.10 -0.02 -0.47 -0.04 0.93 0.30 2ziuA1 LEU 357 HD23 0.26 0.03 -0.24 -0.04 0.89 0.89 2ziuA1 ASN 358 H -0.09 0.19 0.11 -0.55 8.53 8.20 2ziuA1 ASN 358 HA -0.06 0.12 0.50 -0.75 4.76 4.57 2ziuA1 ASN 358 HB2 -0.26 0.01 0.14 -0.04 2.88 2.73 2ziuA1 ASN 358 HB3 -0.15 0.01 0.07 -0.04 2.79 2.67 2ziuA1 ASN 358 HD21 -0.04 -0.04 0.01 -0.04 7.03 6.92 2ziuA1 ASN 358 HD22 -0.14 0.19 0.15 -0.04 7.74 7.90 2ziuA1 VAL 359 H -0.01 0.17 -0.53 -0.55 8.24 7.32 2ziuA1 VAL 359 HA -0.02 0.02 0.37 -0.75 4.13 3.74 2ziuA1 VAL 359 HB -0.09 0.17 -0.11 -0.04 2.12 2.04 2ziuA1 VAL 359 HG13 -0.03 -0.02 -0.14 -0.04 0.97 0.75 2ziuA1 VAL 359 HG23 0.00 0.01 -0.21 -0.04 0.95 0.72 2ziuA1 GLY 360 H -0.01 0.08 -0.00 -0.55 8.43 7.95 2ziuA1 GLY 360 HA2 -0.02 -0.02 0.32 -0.51 4.01 3.79 2ziuA1 GLY 360 HA3 0.03 0.23 0.60 -0.51 4.01 4.36 2ziuA1 ASP 361 H -0.05 0.56 0.45 -0.55 8.40 8.81 2ziuA1 ASP 361 HA -0.25 0.13 0.89 -0.75 4.63 4.65 2ziuA1 ASP 361 HB2 -0.06 -0.04 0.15 -0.04 2.71 2.72 2ziuA1 ASP 361 HB3 -0.49 -0.02 0.11 -0.04 2.70 2.26 2ziuA1 PHE 362 H -0.01 0.36 0.36 -0.55 8.34 8.49 2ziuA1 PHE 362 HA -0.20 0.43 0.95 -0.75 4.62 5.04 2ziuA1 PHE 362 HB2 -0.16 -0.12 0.02 -0.04 3.15 2.85 2ziuA1 PHE 362 HB3 -0.45 0.05 0.02 -0.04 3.06 2.64 2ziuA1 PHE 362 HD2 -0.14 0.01 -0.11 -0.04 7.28 6.99 2ziuA1 PHE 362 HE2 -0.08 -0.05 -0.09 -0.04 7.38 7.12 2ziuA1 PHE 362 HZ -0.07 -0.02 -0.08 -0.04 7.32 7.11 2ziuA1 LEU 363 H -0.33 0.50 0.38 -0.55 8.37 8.37 2ziuA1 LEU 363 HA -0.22 0.27 0.59 -0.75 4.35 4.23 2ziuA1 LEU 363 HB2 -0.06 0.13 0.13 -0.04 1.64 1.80 2ziuA1 LEU 363 HB3 -0.07 0.08 0.06 -0.04 1.64 1.67 2ziuA1 LEU 363 HG 0.01 -0.08 -0.25 -0.04 1.64 1.28 2ziuA1 LEU 363 HD13 0.08 -0.00 -0.43 -0.04 0.93 0.54 2ziuA1 LEU 363 HD23 -0.08 0.02 -0.14 -0.04 0.89 0.65 2ziuA1 TRP 364 H 0.34 0.37 0.24 -0.55 7.97 8.36 2ziuA1 TRP 364 HA 0.03 0.27 1.10 -0.75 4.62 5.27 2ziuA1 TRP 364 HB2 0.02 -0.04 0.06 -0.04 3.23 3.23 2ziuA1 TRP 364 HB3 -0.02 0.04 -0.09 -0.04 3.23 3.12 2ziuA1 TRP 364 HD1 0.01 0.01 -0.34 -0.04 7.22 6.86 2ziuA1 TRP 364 HE1 -0.01 -0.00 -0.06 -0.04 10.20 10.09 2ziuA1 TRP 364 HE3 0.11 0.13 0.03 -0.04 7.59 7.82 2ziuA1 TRP 364 HZ2 -0.15 0.08 -0.04 -0.04 7.44 7.30 2ziuA1 TRP 364 HZ3 0.07 0.00 -0.23 -0.04 7.13 6.93 2ziuA1 TRP 364 HH2 -0.13 -0.02 -0.14 -0.04 7.19 6.85 2ziuA1 VAL 365 H 0.14 0.56 0.33 -0.55 8.24 8.71 2ziuA1 VAL 365 HA 0.06 0.11 1.17 -0.75 4.13 4.71 2ziuA1 VAL 365 HB 0.04 -0.02 -0.13 -0.04 2.12 1.97 2ziuA1 VAL 365 HG13 -0.04 0.03 -0.04 -0.04 0.97 0.88 2ziuA1 VAL 365 HG23 0.04 0.01 -0.19 -0.04 0.95 0.77 2ziuA1 ALA 366 H -0.01 1.07 0.43 -0.55 8.40 9.35 2ziuA1 ALA 366 HA -0.14 0.27 0.86 -0.75 4.34 4.57 2ziuA1 ALA 366 HB3 -0.22 -0.04 0.11 -0.04 1.41 1.22 2ziuA1 ARG 367 H 0.01 0.74 0.32 -0.55 8.46 8.98 2ziuA1 ARG 367 HA 0.03 0.19 0.91 -0.75 4.34 4.71 2ziuA1 ARG 367 HB2 -0.02 -0.07 -0.03 -0.04 1.90 1.75 2ziuA1 ARG 367 HB3 0.01 -0.01 0.06 -0.04 1.80 1.82 2ziuA1 ARG 367 HG2 -0.00 0.23 -0.27 -0.04 1.67 1.58 2ziuA1 ARG 367 HG3 -0.03 -0.02 -0.03 -0.04 1.67 1.55 2ziuA1 ARG 367 HD2 -0.00 -0.03 -0.13 -0.04 3.22 3.01 2ziuA1 ARG 367 HD3 -0.02 0.02 -0.08 -0.04 3.22 3.10 2ziuA1 GLU 368 H 0.01 0.54 0.15 -0.55 8.60 8.76 2ziuA1 GLU 368 HA 0.06 0.11 0.56 -0.75 4.29 4.27 2ziuA1 GLU 368 HB2 -0.04 0.05 0.09 -0.04 2.09 2.15 2ziuA1 GLU 368 HB3 -0.06 -0.21 0.08 -0.04 1.99 1.75 2ziuA1 GLU 368 HG2 -0.04 0.24 -0.03 -0.04 2.34 2.47 2ziuA1 GLU 368 HG3 -0.02 0.02 0.06 -0.04 2.34 2.37 2ziuA1 ARG 369 H 0.01 0.60 0.35 -0.55 8.46 8.87 2ziuA1 ARG 369 HA -0.01 0.01 0.58 -0.75 4.34 4.17 2ziuA1 ARG 369 HB2 -0.02 0.01 0.18 -0.04 1.90 2.03 2ziuA1 ARG 369 HB3 -0.01 -0.06 0.02 -0.04 1.80 1.71 2ziuA1 ARG 369 HG2 0.02 -0.07 -0.19 -0.04 1.67 1.40 2ziuA1 ARG 369 HG3 0.03 0.08 -0.20 -0.04 1.67 1.55 2ziuA1 ARG 369 HD2 -0.02 0.10 -0.41 -0.04 3.22 2.84 2ziuA1 ARG 369 HD3 -0.03 -0.03 0.08 -0.04 3.22 3.20 2ziuA1 VAL 370 H -0.02 0.25 0.21 -0.55 8.24 8.12 2ziuA1 VAL 370 HA -0.04 0.16 0.83 -0.75 4.13 4.33 2ziuA1 VAL 370 HB -0.05 0.08 -0.03 -0.04 2.12 2.09 2ziuA1 VAL 370 HG13 -0.06 0.02 -0.38 -0.04 0.97 0.50 2ziuA1 VAL 370 HG23 -0.04 -0.01 -0.04 -0.04 0.95 0.82 2ziuA1 THR 371 H -0.03 0.18 0.14 -0.55 8.28 8.02 2ziuA1 THR 371 HA -0.02 0.16 0.89 -0.75 4.39 4.67 2ziuA1 THR 371 HB -0.02 0.07 0.13 -0.04 4.32 4.47 2ziuA1 THR 371 HG23 -0.02 -0.02 -0.07 -0.04 1.22 1.08 2ziuA1 PRO 372 HA -0.02 0.04 0.41 -0.51 4.44 4.35 2ziuA1 PRO 372 HB2 -0.02 0.01 -0.01 -0.04 2.28 2.22 2ziuA1 PRO 372 HB3 -0.02 0.02 0.05 -0.04 2.02 2.03 2ziuA1 PRO 372 HG2 -0.02 0.03 0.07 -0.04 2.03 2.08 2ziuA1 PRO 372 HG3 -0.02 0.04 0.08 -0.04 2.03 2.09 2ziuA1 PRO 372 HD2 -0.02 0.10 0.20 -0.04 3.68 3.92 2ziuA1 PRO 372 HD3 -0.02 0.13 0.25 -0.04 3.65 3.97 2ziuA1 VAL 373 H -0.02 0.16 0.05 -0.55 8.24 7.89 2ziuA1 VAL 373 HA -0.02 0.20 0.82 -0.75 4.13 4.37 2ziuA1 VAL 373 HB -0.03 -0.05 0.13 -0.04 2.12 2.13 2ziuA1 VAL 373 HG13 -0.02 0.02 -0.06 -0.04 0.97 0.86 2ziuA1 VAL 373 HG23 -0.03 0.06 -0.16 -0.04 0.95 0.77 2ziuA1 PRO 374 HA -0.01 -0.02 0.40 -0.51 4.44 4.30 2ziuA1 PRO 374 HB2 -0.01 0.05 -0.02 -0.04 2.28 2.26 2ziuA1 PRO 374 HB3 -0.01 0.02 0.10 -0.04 2.02 2.09 2ziuA1 PRO 374 HG2 -0.01 0.04 0.06 -0.04 2.03 2.08 2ziuA1 PRO 374 HG3 -0.01 0.05 0.06 -0.04 2.03 2.08 2ziuA1 PRO 374 HD2 -0.02 0.17 0.19 -0.04 3.68 3.98 2ziuA1 PRO 374 HD3 -0.01 0.12 0.05 -0.04 3.65 3.76 2ziuA1 GLY 375 H -0.01 0.14 0.13 -0.55 8.43 8.14 2ziuA1 GLY 375 HA2 -0.01 -0.02 0.36 -0.51 4.01 3.83 2ziuA1 GLY 375 HA3 -0.01 0.13 0.67 -0.51 4.01 4.29 2ziuA1 GLN 376 H -0.02 0.43 -0.43 -0.55 8.47 7.91 2ziuA1 GLN 376 HA -0.02 -0.06 0.31 -0.75 4.36 3.83 2ziuA1 GLN 376 HB2 -0.02 0.12 -0.06 -0.04 2.15 2.16 2ziuA1 GLN 376 HB3 -0.02 0.22 0.17 -0.04 2.02 2.34 2ziuA1 GLN 376 HG2 -0.02 -0.06 -0.16 -0.04 2.40 2.12 2ziuA1 GLN 376 HG3 -0.02 -0.00 -0.20 -0.04 2.39 2.13 2ziuA1 GLN 376 HE21 -0.02 -0.07 -0.33 -0.04 6.97 6.51 2ziuA1 GLN 376 HE22 -0.02 0.07 -0.40 -0.04 7.69 7.30 2ziuA1 LEU 377 H -0.02 0.06 0.17 -0.55 8.37 8.04 2ziuA1 LEU 377 HA -0.01 0.08 0.50 -0.75 4.35 4.17 2ziuA1 LEU 377 HB2 -0.01 -0.07 0.20 -0.04 1.64 1.72 2ziuA1 LEU 377 HB3 -0.01 -0.01 0.06 -0.04 1.64 1.64 2ziuA1 LEU 377 HG -0.01 -0.01 0.12 -0.04 1.64 1.70 2ziuA1 LEU 377 HD13 -0.01 -0.01 0.04 -0.04 0.93 0.91 2ziuA1 LEU 377 HD23 -0.01 0.02 0.03 -0.04 0.89 0.89 2ziuA1 ARG 378 H -0.02 0.13 0.09 -0.55 8.46 8.10 2ziuA1 ARG 378 HA -0.01 0.17 0.73 -0.75 4.34 4.47 2ziuA1 ARG 378 HB2 -0.02 -0.01 0.02 -0.04 1.90 1.85 2ziuA1 ARG 378 HB3 -0.02 0.06 0.08 -0.04 1.80 1.88 2ziuA1 ARG 378 HG2 -0.01 0.02 -0.01 -0.04 1.67 1.64 2ziuA1 ARG 378 HG3 -0.01 -0.06 -0.33 -0.04 1.67 1.23 2ziuA1 ARG 378 HD2 -0.01 -0.03 -0.04 -0.04 3.22 3.11 2ziuA1 ARG 378 HD3 -0.01 -0.02 -0.04 -0.04 3.22 3.11 2ziuA1 PRO 379 HA -0.02 0.04 0.35 -0.51 4.44 4.30 2ziuA1 PRO 379 HB2 -0.02 0.00 -0.05 -0.04 2.28 2.17 2ziuA1 PRO 379 HB3 -0.02 0.01 0.03 -0.04 2.02 2.00 2ziuA1 PRO 379 HG2 -0.02 0.02 0.04 -0.04 2.03 2.03 2ziuA1 PRO 379 HG3 -0.02 0.04 0.03 -0.04 2.03 2.04 2ziuA1 PRO 379 HD2 -0.02 0.09 0.15 -0.04 3.68 3.86 2ziuA1 PRO 379 HD3 -0.01 0.14 0.16 -0.04 3.65 3.90 2ziuA1 PRO 380 HA -0.04 0.09 0.35 -0.51 4.44 4.33 2ziuA1 PRO 380 HB2 -0.04 -0.05 -0.07 -0.04 2.28 2.08 2ziuA1 PRO 380 HB3 -0.04 0.13 -0.04 -0.04 2.02 2.03 2ziuA1 PRO 380 HG2 -0.03 -0.06 -0.02 -0.04 2.03 1.88 2ziuA1 PRO 380 HG3 -0.03 0.08 -0.33 -0.04 2.03 1.71 2ziuA1 PRO 380 HD2 -0.02 0.04 0.12 -0.04 3.68 3.78 2ziuA1 PRO 380 HD3 -0.03 0.09 0.06 -0.04 3.65 3.74 2ziuA1 VAL 381 H -0.04 0.05 -0.03 -0.55 8.24 7.67 2ziuA1 VAL 381 HA -0.04 -0.05 0.34 -0.75 4.13 3.62 2ziuA1 VAL 381 HB -0.04 0.43 0.40 -0.04 2.12 2.87 2ziuA1 VAL 381 HG13 -0.03 -0.03 -0.08 -0.04 0.97 0.79 2ziuA1 VAL 381 HG23 -0.03 -0.03 -0.26 -0.04 0.95 0.59 2ziuA1 GLY 382 H -0.05 0.09 0.09 -0.55 8.43 8.02 2ziuA1 GLY 382 HA2 -0.10 0.07 0.36 -0.51 4.01 3.83 2ziuA1 GLY 382 HA3 -0.07 0.10 0.29 -0.51 4.01 3.82 2ziuA1 LYS 383 H -0.21 0.09 0.14 -0.55 8.42 7.89 2ziuA1 LYS 383 HA -0.18 0.06 0.41 -0.75 4.32 3.86 2ziuA1 LYS 383 HB2 -0.37 0.00 0.01 -0.04 1.87 1.47 2ziuA1 LYS 383 HB3 -0.66 -0.01 0.06 -0.04 1.79 1.13 2ziuA1 LYS 383 HG2 -0.85 0.02 0.06 -0.04 1.46 0.64 2ziuA1 LYS 383 HG3 -0.51 -0.01 0.10 -0.04 1.46 1.00 2ziuA1 LYS 383 HD2 -1.16 0.02 -0.04 -0.04 1.69 0.47 2ziuA1 LYS 383 HD3 -3.45 -0.01 -0.02 -0.04 1.68 -1.84 2ziuA1 LYS 383 HE2 -0.59 -0.00 0.01 -0.04 2.99 2.36 2ziuA1 LYS 383 HE3 -0.70 0.00 0.01 -0.04 2.99 2.26 2ziuA1 GLU 384 H 0.29 0.12 0.21 -0.55 8.60 8.68 2ziuA1 GLU 384 HA 0.15 0.44 0.94 -0.75 4.29 5.06 2ziuA1 GLU 384 HB2 0.18 -0.17 0.07 -0.04 2.09 2.13 2ziuA1 GLU 384 HB3 0.13 -0.00 -0.07 -0.04 1.99 2.00 2ziuA1 GLU 384 HG2 0.01 0.01 -0.01 -0.04 2.34 2.30 2ziuA1 GLU 384 HG3 0.01 0.23 -0.45 -0.04 2.34 2.09 2ziuA1 LEU 385 H 0.13 0.66 0.34 -0.55 8.37 8.95 2ziuA1 LEU 385 HA 0.11 0.18 0.72 -0.75 4.35 4.60 2ziuA1 LEU 385 HB2 0.03 -0.04 0.09 -0.04 1.64 1.68 2ziuA1 LEU 385 HB3 0.00 0.02 -0.08 -0.04 1.64 1.54 2ziuA1 LEU 385 HG 0.32 -0.11 -0.26 -0.04 1.64 1.54 2ziuA1 LEU 385 HD13 0.06 0.02 -0.14 -0.04 0.93 0.83 2ziuA1 LEU 385 HD23 -0.18 0.00 -0.23 -0.04 0.89 0.44 2ziuA1 VAL 386 H 0.03 0.67 0.22 -0.55 8.24 8.61 2ziuA1 VAL 386 HA 0.03 0.07 1.30 -0.75 4.13 4.77 2ziuA1 VAL 386 HB 0.18 -0.15 -0.09 -0.04 2.12 2.03 2ziuA1 VAL 386 HG13 -0.17 0.05 -0.03 -0.04 0.97 0.77 2ziuA1 VAL 386 HG23 -0.14 0.09 -0.11 -0.04 0.95 0.75 2ziuA1 LEU 387 H 0.01 0.24 0.19 -0.55 8.37 8.26 2ziuA1 LEU 387 HA -0.06 0.03 0.34 -0.75 4.35 3.90 2ziuA1 LEU 387 HB2 0.18 0.11 0.13 -0.04 1.64 2.01 2ziuA1 LEU 387 HB3 0.11 -0.13 0.07 -0.04 1.64 1.64 2ziuA1 LEU 387 HG -0.16 0.05 -0.01 -0.04 1.64 1.47 2ziuA1 LEU 387 HD13 -0.16 -0.01 -0.20 -0.04 0.93 0.51 2ziuA1 LEU 387 HD23 -0.01 0.00 -0.07 -0.04 0.89 0.77 2ziuA1 ASP 388 H -0.22 0.10 0.16 -0.55 8.40 7.90 2ziuA1 ASP 388 HA -0.18 0.13 0.45 -0.75 4.63 4.27 2ziuA1 ASP 388 HB2 -0.51 -0.04 0.13 -0.04 2.71 2.26 2ziuA1 ASP 388 HB3 -0.31 -0.06 0.09 -0.04 2.70 2.38 2ziuA1 TYR 389 H -0.11 -0.02 -0.44 -0.55 8.29 7.17 2ziuA1 TYR 389 HA 0.08 0.41 0.78 -0.75 4.56 5.07 2ziuA1 TYR 389 HB2 0.33 -0.08 0.09 -0.04 3.06 3.36 2ziuA1 TYR 389 HB3 0.30 0.02 -0.06 -0.04 2.98 3.20 2ziuA1 TYR 389 HD2 -0.04 0.09 -0.02 -0.04 7.15 7.14 2ziuA1 TYR 389 HE2 -0.03 0.04 -0.01 -0.04 6.85 6.81 2ziuA1 ILE 390 H 0.10 0.46 0.18 -0.55 8.25 8.44 2ziuA1 ILE 390 HA 0.05 0.19 1.03 -0.75 4.18 4.70 2ziuA1 ILE 390 HB -0.08 0.04 -0.10 -0.04 1.89 1.71 2ziuA1 ILE 390 HG12 0.01 -0.12 -0.19 -0.04 1.49 1.15 2ziuA1 ILE 390 HG13 0.00 0.10 0.11 -0.04 1.21 1.38 2ziuA1 ILE 390 HG23 -0.05 0.01 0.01 -0.04 0.93 0.86 2ziuA1 ILE 390 HD13 0.08 0.04 -0.13 -0.04 0.88 0.83 2ziuA1 ILE 391 H 0.06 0.81 0.34 -0.55 8.25 8.90 2ziuA1 ILE 391 HA 0.10 0.36 1.15 -0.75 4.18 5.04 2ziuA1 ILE 391 HB 0.19 -0.07 0.00 -0.04 1.89 1.97 2ziuA1 ILE 391 HG12 0.29 0.05 -0.21 -0.04 1.49 1.57 2ziuA1 ILE 391 HG13 0.27 0.01 -0.43 -0.04 1.21 1.02 2ziuA1 ILE 391 HG23 0.17 -0.05 -0.33 -0.04 0.93 0.68 2ziuA1 ILE 391 HD13 0.33 -0.01 -0.18 -0.04 0.88 0.98 2ziuA1 GLU 392 H -0.03 0.48 0.27 -0.55 8.60 8.77 2ziuA1 GLU 392 HA -0.05 0.01 0.97 -0.75 4.29 4.46 2ziuA1 GLU 392 HB2 -0.19 0.08 0.02 -0.04 2.09 1.97 2ziuA1 GLU 392 HB3 -0.75 -0.00 0.20 -0.04 1.99 1.40 2ziuA1 GLU 392 HG2 -0.32 0.01 -0.09 -0.04 2.34 1.90 2ziuA1 GLU 392 HG3 -0.21 0.04 -0.22 -0.04 2.34 1.91 2ziuA1 ARG 393 H 0.06 0.14 0.10 -0.55 8.46 8.21 2ziuA1 ARG 393 HA 0.09 0.34 0.92 -0.75 4.34 4.93 2ziuA1 ARG 393 HB2 0.27 0.02 -0.04 -0.04 1.90 2.11 2ziuA1 ARG 393 HB3 0.21 0.01 0.07 -0.04 1.80 2.05 2ziuA1 ARG 393 HG2 0.10 -0.06 -0.30 -0.04 1.67 1.37 2ziuA1 ARG 393 HG3 0.10 -0.01 -0.10 -0.04 1.67 1.62 2ziuA1 ARG 393 HD2 0.22 0.05 -0.10 -0.04 3.22 3.35 2ziuA1 ARG 393 HD3 0.20 0.06 -0.10 -0.04 3.22 3.35 2ziuA1 LYS 394 H 0.12 0.59 0.29 -0.55 8.42 8.87 2ziuA1 LYS 394 HA 0.10 0.11 0.79 -0.75 4.32 4.56 2ziuA1 LYS 394 HB2 0.34 0.07 -0.01 -0.04 1.87 2.23 2ziuA1 LYS 394 HB3 0.19 -0.08 -0.13 -0.04 1.79 1.73 2ziuA1 LYS 394 HG2 0.11 0.08 -0.58 -0.04 1.46 1.04 2ziuA1 LYS 394 HG3 0.47 0.02 -0.19 -0.04 1.46 1.71 2ziuA1 LYS 394 HD2 0.17 -0.12 -0.28 -0.04 1.69 1.42 2ziuA1 LYS 394 HD3 0.11 0.04 0.00 -0.04 1.68 1.79 2ziuA1 LYS 394 HE2 0.12 0.05 -0.12 -0.04 2.99 3.00 2ziuA1 LYS 394 HE3 0.26 -0.02 -0.12 -0.04 2.99 3.07 2ziuA1 ARG 395 H 0.06 0.20 0.11 -0.55 8.46 8.28 2ziuA1 ARG 395 HA 0.04 0.09 0.51 -0.75 4.34 4.23 2ziuA1 ARG 395 HB2 0.03 -0.07 0.05 -0.04 1.90 1.87 2ziuA1 ARG 395 HB3 0.02 -0.01 0.04 -0.04 1.80 1.81 2ziuA1 ARG 395 HG2 0.04 -0.02 -0.07 -0.04 1.67 1.58 2ziuA1 ARG 395 HG3 0.04 0.11 0.01 -0.04 1.67 1.79 2ziuA1 ARG 395 HD2 0.02 -0.06 -0.01 -0.04 3.22 3.13 2ziuA1 ARG 395 HD3 0.03 0.08 -0.01 -0.04 3.22 3.28 2ziuA1 MET 396 H 0.01 0.37 0.19 -0.55 8.47 8.50 2ziuA1 MET 396 HA -0.00 0.13 0.26 -0.75 4.52 4.16 2ziuA1 MET 396 HB2 -0.02 0.01 0.10 -0.04 2.15 2.20 2ziuA1 MET 396 HB3 -0.03 -0.06 -0.06 -0.04 2.03 1.84 2ziuA1 MET 396 HG2 -0.06 -0.05 -0.04 -0.04 2.63 2.44 2ziuA1 MET 396 HG3 -0.06 0.00 -0.16 -0.04 2.56 2.30 2ziuA1 MET 396 HE3 -0.01 -0.02 -0.08 -0.04 2.10 1.95 2ziuA1 ASP 397 H 0.00 0.09 -0.30 -0.55 8.40 7.64 2ziuA1 ASP 397 HA -0.01 0.08 0.41 -0.75 4.63 4.36 2ziuA1 ASP 397 HB2 0.00 0.12 0.03 -0.04 2.71 2.82 2ziuA1 ASP 397 HB3 -0.01 -0.08 0.04 -0.04 2.70 2.61 2ziuA1 ASP 398 H 0.03 0.41 -0.24 -0.55 8.40 8.04 2ziuA1 ASP 398 HA 0.03 0.16 0.61 -0.75 4.63 4.68 2ziuA1 ASP 398 HB2 0.06 -0.02 0.13 -0.04 2.71 2.85 2ziuA1 ASP 398 HB3 0.06 0.08 0.03 -0.04 2.70 2.83 2ziuA1 LEU 399 H 0.04 0.47 -0.12 -0.55 8.37 8.21 2ziuA1 LEU 399 HA 0.10 0.06 0.33 -0.75 4.35 4.08 2ziuA1 LEU 399 HB2 0.06 0.01 -0.09 -0.04 1.64 1.58 2ziuA1 LEU 399 HB3 -0.03 0.10 0.02 -0.04 1.64 1.69 2ziuA1 LEU 399 HG -0.23 -0.02 -0.15 -0.04 1.64 1.20 2ziuA1 LEU 399 HD13 0.07 0.01 -0.06 -0.04 0.93 0.91 2ziuA1 LEU 399 HD23 -0.09 0.01 -0.11 -0.04 0.89 0.65 2ziuA1 CYS 400 H -0.02 0.35 -0.39 -0.55 8.50 7.90 2ziuA1 CYS 400 HA -0.07 0.04 0.35 -0.75 4.58 4.15 2ziuA1 CYS 400 HB2 -0.02 0.14 0.06 -0.04 2.97 3.12 2ziuA1 CYS 400 HB3 -0.02 -0.01 -0.01 -0.04 2.97 2.89 2ziuA1 GLY 401 H 0.01 0.23 -0.43 -0.55 8.43 7.70 2ziuA1 GLY 401 HA2 0.01 0.05 0.42 -0.51 4.01 3.99 2ziuA1 GLY 401 HA3 0.03 0.09 0.31 -0.51 4.01 3.93 2ziuA1 SER 402 H 0.06 0.48 -0.10 -0.55 8.46 8.36 2ziuA1 SER 402 HA 0.10 0.07 0.36 -0.75 4.49 4.26 2ziuA1 SER 402 HB2 0.23 0.09 0.09 -0.04 3.95 4.32 2ziuA1 SER 402 HB3 0.27 -0.09 -0.05 -0.04 3.93 4.01 2ziuA1 ILE 403 H -0.02 0.45 -0.24 -0.55 8.25 7.89 2ziuA1 ILE 403 HA 0.02 -0.04 0.47 -0.75 4.18 3.88 2ziuA1 ILE 403 HB -0.11 0.09 0.11 -0.04 1.89 1.93 2ziuA1 ILE 403 HG12 -0.39 -0.02 -0.00 -0.04 1.49 1.04 2ziuA1 ILE 403 HG13 -0.39 -0.08 0.02 -0.04 1.21 0.72 2ziuA1 ILE 403 HG23 -0.08 0.01 -0.13 -0.04 0.93 0.68 2ziuA1 ILE 403 HD13 -0.45 0.00 -0.09 -0.04 0.88 0.30 2ziuA1 ILE 404 H -0.01 0.56 -0.03 -0.55 8.25 8.23 2ziuA1 ILE 404 HA -0.01 0.06 0.49 -0.75 4.18 3.97 2ziuA1 ILE 404 HB 0.00 0.01 0.18 -0.04 1.89 2.04 2ziuA1 ILE 404 HG12 -0.01 0.02 0.02 -0.04 1.49 1.49 2ziuA1 ILE 404 HG13 -0.02 -0.03 0.05 -0.04 1.21 1.17 2ziuA1 ILE 404 HG23 0.00 0.00 -0.17 -0.04 0.93 0.73 2ziuA1 ILE 404 HD13 -0.00 -0.03 -0.03 -0.04 0.88 0.77 2ziuA1 ASP 405 H 0.02 0.55 -0.10 -0.55 8.40 8.32 2ziuA1 ASP 405 HA 0.02 0.12 0.56 -0.75 4.63 4.57 2ziuA1 ASP 405 HB2 0.04 0.08 0.09 -0.04 2.71 2.87 2ziuA1 ASP 405 HB3 0.03 -0.03 0.05 -0.04 2.70 2.71 2ziuA1 GLY 406 H 0.04 0.14 -0.51 -0.55 8.43 7.55 2ziuA1 GLY 406 HA2 0.06 -0.04 0.32 -0.51 4.01 3.84 2ziuA1 GLY 406 HA3 0.04 0.12 0.45 -0.51 4.01 4.11 2ziuA1 ARG 407 H 0.09 0.58 0.15 -0.55 8.46 8.73 2ziuA1 ARG 407 HA 0.07 0.25 0.92 -0.75 4.34 4.83 2ziuA1 ARG 407 HB2 0.09 -0.07 -0.03 -0.04 1.90 1.85 2ziuA1 ARG 407 HB3 0.07 -0.02 0.06 -0.04 1.80 1.87 2ziuA1 ARG 407 HG2 0.05 0.10 -0.16 -0.04 1.67 1.61 2ziuA1 ARG 407 HG3 0.05 0.03 -0.26 -0.04 1.67 1.45 2ziuA1 ARG 407 HD2 0.04 0.01 -0.05 -0.04 3.22 3.18 2ziuA1 ARG 407 HD3 0.04 0.04 -0.07 -0.04 3.22 3.19 2ziuA1 PHE 408 H 0.23 0.28 -0.13 -0.55 8.34 8.16 2ziuA1 PHE 408 HA 0.08 0.05 0.32 -0.75 4.62 4.32 2ziuA1 PHE 408 HB2 0.02 -0.06 -0.18 -0.04 3.15 2.90 2ziuA1 PHE 408 HB3 0.01 0.01 -0.02 -0.04 3.06 3.01 2ziuA1 PHE 408 HD2 0.03 -0.02 -0.07 -0.04 7.28 7.17 2ziuA1 PHE 408 HE2 -0.14 0.02 -0.07 -0.04 7.38 7.15 2ziuA1 PHE 408 HZ -0.32 0.08 -0.14 -0.04 7.32 6.90 2ziuA1 ARG 409 H 0.13 0.16 -0.19 -0.55 8.46 8.00 2ziuA1 ARG 409 HA -0.24 0.11 0.43 -0.75 4.34 3.88 2ziuA1 ARG 409 HB2 0.02 0.04 -0.04 -0.04 1.90 1.88 2ziuA1 ARG 409 HB3 -0.02 0.07 -0.06 -0.04 1.80 1.76 2ziuA1 ARG 409 HG2 0.03 0.03 -0.05 -0.04 1.67 1.65 2ziuA1 ARG 409 HG3 0.20 -0.10 -0.03 -0.04 1.67 1.70 2ziuA1 ARG 409 HD2 0.04 0.04 -0.04 -0.04 3.22 3.21 2ziuA1 ARG 409 HD3 0.02 0.04 -0.05 -0.04 3.22 3.19 2ziuA1 GLU 410 H 0.04 0.12 -0.32 -0.55 8.60 7.90 2ziuA1 GLU 410 HA 0.09 0.09 0.42 -0.75 4.29 4.14 2ziuA1 GLU 410 HB2 0.03 0.04 0.09 -0.04 2.09 2.21 2ziuA1 GLU 410 HB3 0.06 0.08 0.14 -0.04 1.99 2.23 2ziuA1 GLU 410 HG2 0.08 0.01 -0.20 -0.04 2.34 2.19 2ziuA1 GLU 410 HG3 0.09 0.01 -0.02 -0.04 2.34 2.39 2ziuA1 GLN 411 H 0.05 0.56 -0.13 -0.55 8.47 8.41 2ziuA1 GLN 411 HA 0.06 0.06 0.33 -0.75 4.36 4.05 2ziuA1 GLN 411 HB2 0.06 0.06 0.08 -0.04 2.15 2.31 2ziuA1 GLN 411 HB3 0.03 0.09 0.07 -0.04 2.02 2.17 2ziuA1 GLN 411 HG2 0.05 -0.02 -0.14 -0.04 2.40 2.25 2ziuA1 GLN 411 HG3 0.04 0.02 0.00 -0.04 2.39 2.41 2ziuA1 GLN 411 HE21 0.06 -0.05 -0.07 -0.04 6.97 6.87 2ziuA1 GLN 411 HE22 0.05 0.05 -0.05 -0.04 7.69 7.70 2ziuA1 LYS 412 H -0.06 0.37 -0.22 -0.55 8.42 7.95 2ziuA1 LYS 412 HA 0.22 -0.01 0.36 -0.75 4.32 4.14 2ziuA1 LYS 412 HB2 -0.20 0.05 0.12 -0.04 1.87 1.80 2ziuA1 LYS 412 HB3 -0.26 0.02 0.00 -0.04 1.79 1.51 2ziuA1 LYS 412 HG2 -0.01 -0.05 -0.01 -0.04 1.46 1.35 2ziuA1 LYS 412 HG3 -0.63 0.23 0.04 -0.04 1.46 1.06 2ziuA1 LYS 412 HD2 -0.73 0.04 -0.03 -0.04 1.69 0.93 2ziuA1 LYS 412 HD3 -0.79 -0.06 -0.06 -0.04 1.68 0.73 2ziuA1 LYS 412 HE2 -1.21 -0.08 -0.22 -0.04 2.99 1.44 2ziuA1 LYS 412 HE3 -0.39 0.05 -0.06 -0.04 2.99 2.55 2ziuA1 PHE 413 H 0.19 0.41 -0.47 -0.55 8.34 7.92 2ziuA1 PHE 413 HA 0.04 -0.00 0.43 -0.75 4.62 4.34 2ziuA1 PHE 413 HB2 -0.00 -0.04 0.11 -0.04 3.15 3.19 2ziuA1 PHE 413 HB3 0.01 0.23 0.26 -0.04 3.06 3.51 2ziuA1 PHE 413 HD2 0.01 0.01 -0.02 -0.04 7.28 7.25 2ziuA1 PHE 413 HE2 0.01 0.02 -0.02 -0.04 7.38 7.34 2ziuA1 PHE 413 HZ 0.00 -0.01 -0.02 -0.04 7.32 7.26 2ziuA1 ARG 414 H 0.11 0.53 -0.08 -0.55 8.46 8.47 2ziuA1 ARG 414 HA -0.23 0.03 0.30 -0.75 4.34 3.68 2ziuA1 ARG 414 HB2 0.02 0.10 0.17 -0.04 1.90 2.15 2ziuA1 ARG 414 HB3 -0.04 -0.04 -0.03 -0.04 1.80 1.65 2ziuA1 ARG 414 HG2 0.00 0.03 -0.11 -0.04 1.67 1.55 2ziuA1 ARG 414 HG3 0.12 0.05 -0.02 -0.04 1.67 1.79 2ziuA1 ARG 414 HD2 0.05 -0.10 -0.10 -0.04 3.22 3.03 2ziuA1 ARG 414 HD3 0.01 0.02 -0.02 -0.04 3.22 3.18 2ziuA1 LEU 415 H 0.07 0.39 -0.25 -0.55 8.37 8.04 2ziuA1 LEU 415 HA -0.01 -0.00 0.37 -0.75 4.35 3.96 2ziuA1 LEU 415 HB2 0.23 0.08 0.09 -0.04 1.64 2.01 2ziuA1 LEU 415 HB3 -0.11 0.02 -0.06 -0.04 1.64 1.45 2ziuA1 LEU 415 HG 0.03 -0.04 -0.09 -0.04 1.64 1.50 2ziuA1 LEU 415 HD13 0.13 -0.02 -0.13 -0.04 0.93 0.87 2ziuA1 LEU 415 HD23 -0.03 -0.02 -0.11 -0.04 0.89 0.69 2ziuA1 LYS 416 H 0.09 0.44 -0.21 -0.55 8.42 8.19 2ziuA1 LYS 416 HA 0.03 0.05 0.37 -0.75 4.32 4.01 2ziuA1 LYS 416 HB2 -0.06 0.16 0.24 -0.04 1.87 2.16 2ziuA1 LYS 416 HB3 0.04 -0.06 0.02 -0.04 1.79 1.75 2ziuA1 LYS 416 HG2 0.36 0.03 0.07 -0.04 1.46 1.88 2ziuA1 LYS 416 HG3 0.31 0.31 0.14 -0.04 1.46 2.18 2ziuA1 LYS 416 HD2 0.23 -0.06 0.03 -0.04 1.69 1.85 2ziuA1 LYS 416 HD3 0.15 -0.02 0.02 -0.04 1.68 1.79 2ziuA1 LYS 416 HE2 0.13 0.09 0.03 -0.04 2.99 3.21 2ziuA1 LYS 416 HE3 0.07 -0.09 -0.10 -0.04 2.99 2.83 2ziuA1 ARG 417 H -0.26 0.44 -0.12 -0.55 8.46 7.97 2ziuA1 ARG 417 HA -0.10 0.06 0.51 -0.75 4.34 4.05 2ziuA1 ARG 417 HB2 -0.18 -0.05 0.17 -0.04 1.90 1.80 2ziuA1 ARG 417 HB3 -0.30 -0.05 0.07 -0.04 1.80 1.48 2ziuA1 ARG 417 HG2 -0.49 0.24 0.07 -0.04 1.67 1.45 2ziuA1 ARG 417 HG3 -0.29 0.00 -0.08 -0.04 1.67 1.26 2ziuA1 ARG 417 HD2 -1.30 -0.06 -0.03 -0.04 3.22 1.79 2ziuA1 ARG 417 HD3 -1.34 -0.04 -0.18 -0.04 3.22 1.61 2ziuA1 CYS 418 H -0.06 0.49 -0.67 -0.55 8.50 7.72 2ziuA1 CYS 418 HA -0.05 0.14 0.65 -0.75 4.58 4.56 2ziuA1 CYS 418 HB2 0.08 -0.11 0.09 -0.04 2.97 2.99 2ziuA1 CYS 418 HB3 -0.01 0.22 0.08 -0.04 2.97 3.23 2ziuA1 GLY 419 H -0.02 0.26 -0.20 -0.55 8.43 7.92 2ziuA1 GLY 419 HA2 -0.01 -0.00 0.28 -0.51 4.01 3.77 2ziuA1 GLY 419 HA3 0.03 0.14 0.67 -0.51 4.01 4.34 2ziuA1 LEU 420 H -0.00 0.15 -0.33 -0.55 8.37 7.64 2ziuA1 LEU 420 HA -0.09 0.06 0.81 -0.75 4.35 4.38 2ziuA1 LEU 420 HB2 -0.08 -0.00 0.07 -0.04 1.64 1.58 2ziuA1 LEU 420 HB3 -0.13 0.09 -0.02 -0.04 1.64 1.54 2ziuA1 LEU 420 HG -0.23 0.18 -0.10 -0.04 1.64 1.45 2ziuA1 LEU 420 HD13 -0.13 0.03 -0.25 -0.04 0.93 0.53 2ziuA1 LEU 420 HD23 -0.52 -0.03 -0.13 -0.04 0.89 0.17 2ziuA1 ARG 421 H -0.09 0.13 0.21 -0.55 8.46 8.16 2ziuA1 ARG 421 HA -0.06 0.09 0.32 -0.75 4.34 3.94 2ziuA1 ARG 421 HB2 -0.10 0.04 0.13 -0.04 1.90 1.92 2ziuA1 ARG 421 HB3 -0.05 0.00 0.18 -0.04 1.80 1.90 2ziuA1 ARG 421 HG2 -0.04 0.01 0.07 -0.04 1.67 1.67 2ziuA1 ARG 421 HG3 -0.06 -0.03 0.20 -0.04 1.67 1.73 2ziuA1 ARG 421 HD2 -0.05 0.17 0.14 -0.04 3.22 3.44 2ziuA1 ARG 421 HD3 -0.03 -0.03 0.08 -0.04 3.22 3.21 2ziuA1 LYS 422 H -0.15 0.27 -0.32 -0.55 8.42 7.66 2ziuA1 LYS 422 HA -0.03 0.32 1.08 -0.75 4.32 4.94 2ziuA1 LYS 422 HB2 -0.46 -0.11 -0.24 -0.04 1.87 1.02 2ziuA1 LYS 422 HB3 0.11 -0.07 0.05 -0.04 1.79 1.83 2ziuA1 LYS 422 HG2 -0.12 0.09 -0.51 -0.04 1.46 0.88 2ziuA1 LYS 422 HG3 -0.25 -0.19 -0.10 -0.04 1.46 0.88 2ziuA1 LYS 422 HD2 0.18 -0.12 -0.06 -0.04 1.69 1.65 2ziuA1 LYS 422 HD3 0.08 0.14 0.01 -0.04 1.68 1.88 2ziuA1 LYS 422 HE2 0.03 0.18 -0.09 -0.04 2.99 3.07 2ziuA1 LYS 422 HE3 0.03 -0.10 -0.33 -0.04 2.99 2.54 2ziuA1 PRO 423 HA -0.10 0.09 0.67 -0.51 4.44 4.59 2ziuA1 PRO 423 HB2 -1.08 -0.08 -0.04 -0.04 2.28 1.04 2ziuA1 PRO 423 HB3 -0.40 0.05 0.06 -0.04 2.02 1.68 2ziuA1 PRO 423 HG2 -0.49 -0.02 0.05 -0.04 2.03 1.53 2ziuA1 PRO 423 HG3 -0.48 0.08 -0.03 -0.04 2.03 1.56 2ziuA1 PRO 423 HD2 -0.09 0.23 -0.04 -0.04 3.68 3.74 2ziuA1 PRO 423 HD3 -0.15 0.36 0.00 -0.04 3.65 3.82 2ziuA1 ILE 424 H 0.05 0.65 0.51 -0.55 8.25 8.91 2ziuA1 ILE 424 HA 0.31 0.13 1.03 -0.75 4.18 4.90 2ziuA1 ILE 424 HB 0.24 -0.13 0.00 -0.04 1.89 1.96 2ziuA1 ILE 424 HG12 0.18 0.04 -0.14 -0.04 1.49 1.53 2ziuA1 ILE 424 HG13 0.21 0.22 -0.16 -0.04 1.21 1.44 2ziuA1 ILE 424 HG23 0.37 -0.01 -0.11 -0.04 0.93 1.14 2ziuA1 ILE 424 HD13 0.26 -0.04 -0.14 -0.04 0.88 0.91 2ziuA1 TYR 425 H 0.39 0.74 0.24 -0.55 8.29 9.10 2ziuA1 TYR 425 HA 0.20 0.12 1.03 -0.75 4.56 5.15 2ziuA1 TYR 425 HB2 0.36 0.04 -0.18 -0.04 3.06 3.24 2ziuA1 TYR 425 HB3 0.17 -0.09 0.07 -0.04 2.98 3.09 2ziuA1 TYR 425 HD2 0.27 0.01 -0.25 -0.04 7.15 7.15 2ziuA1 TYR 425 HE2 0.07 -0.04 -0.13 -0.04 6.85 6.71 2ziuA1 LEU 426 H 0.09 0.48 0.17 -0.55 8.37 8.56 2ziuA1 LEU 426 HA 0.06 0.31 0.91 -0.75 4.35 4.87 2ziuA1 LEU 426 HB2 0.07 0.03 -0.06 -0.04 1.64 1.64 2ziuA1 LEU 426 HB3 0.08 -0.10 0.06 -0.04 1.64 1.64 2ziuA1 LEU 426 HG 0.01 -0.12 -0.28 -0.04 1.64 1.20 2ziuA1 LEU 426 HD13 -0.28 0.10 -0.07 -0.04 0.93 0.64 2ziuA1 LEU 426 HD23 0.04 -0.03 -0.10 -0.04 0.89 0.76 2ziuA1 VAL 427 H 0.07 0.59 0.32 -0.55 8.24 8.67 2ziuA1 VAL 427 HA 0.14 0.22 0.98 -0.75 4.13 4.71 2ziuA1 VAL 427 HB 0.05 -0.02 0.16 -0.04 2.12 2.27 2ziuA1 VAL 427 HG13 0.03 -0.01 -0.09 -0.04 0.97 0.86 2ziuA1 VAL 427 HG23 0.16 0.03 -0.17 -0.04 0.95 0.93 2ziuA1 GLU 428 H 0.06 0.45 0.22 -0.55 8.60 8.79 2ziuA1 GLU 428 HA 0.01 0.52 0.97 -0.75 4.29 5.03 2ziuA1 GLU 428 HB2 0.02 -0.10 -0.18 -0.04 2.09 1.79 2ziuA1 GLU 428 HB3 0.04 0.09 -0.22 -0.04 1.99 1.86 2ziuA1 GLU 428 HG2 0.03 -0.06 -0.26 -0.04 2.34 2.01 2ziuA1 GLU 428 HG3 0.02 -0.02 -0.20 -0.04 2.34 2.10 2ziuA1 GLU 429 H 0.01 0.10 -0.33 -0.55 8.60 7.83 2ziuA1 GLU 429 HA 0.00 0.23 0.35 -0.75 4.29 4.12 2ziuA1 GLU 429 HB2 0.01 -0.06 -0.02 -0.04 2.09 1.98 2ziuA1 GLU 429 HB3 0.00 -0.16 0.27 -0.04 1.99 2.06 2ziuA1 GLU 429 HG2 -0.01 0.35 0.22 -0.04 2.34 2.86 2ziuA1 GLU 429 HG3 -0.00 0.07 0.17 -0.04 2.34 2.54 2ziuA1 CYS 430 H 0.00 0.01 -1.44 -0.55 8.50 6.52 2ziuA1 CYS 430 HA -0.01 0.01 0.18 -0.75 4.58 4.00 2ziuA1 CYS 430 HB2 -0.02 0.01 0.17 -0.04 2.97 3.09 2ziuA1 CYS 430 HB3 -0.01 0.10 0.03 -0.04 2.97 3.05 2ziuA1 GLY 431 H -0.03 -0.12 -0.50 -0.55 8.43 7.24 2ziuA1 GLY 431 HA2 -0.08 -0.13 0.31 -0.51 4.01 3.60 2ziuA1 GLY 431 HA3 -0.07 0.30 0.96 -0.51 4.01 4.69 2ziuA1 SER 432 H -0.18 0.10 0.19 -0.55 8.46 8.02 2ziuA1 SER 432 HA -0.05 0.20 0.31 -0.75 4.49 4.19 2ziuA1 SER 432 HB2 -0.03 0.63 0.50 -0.04 3.95 5.01 2ziuA1 SER 432 HB3 -0.04 -0.24 0.09 -0.04 3.93 3.71 2ziuA1 ALA 433 H -0.01 0.22 0.16 -0.55 8.40 8.22 2ziuA1 ALA 433 HA 0.12 0.18 0.45 -0.75 4.34 4.33 2ziuA1 ALA 433 HB3 0.03 0.04 0.11 -0.04 1.41 1.55 2ziuA1 ALA 434 H -0.07 -0.01 -0.31 -0.55 8.40 7.46 2ziuA1 ALA 434 HA -0.02 0.21 0.78 -0.75 4.34 4.55 2ziuA1 ALA 434 HB3 -0.03 0.02 -0.05 -0.04 1.41 1.31 2ziuA1 ALA 435 H -0.28 0.04 -0.29 -0.55 8.40 7.33 2ziuA1 ALA 435 HA -0.15 0.08 0.31 -0.75 4.34 3.83 2ziuA1 ALA 435 HB3 -0.30 0.01 0.23 -0.04 1.41 1.31 2ziuA1 HIS 436 H -0.18 -0.26 -1.27 -0.55 8.41 6.16 2ziuA1 HIS 436 HA -0.02 0.18 0.27 -0.75 4.63 4.31 2ziuA1 HIS 436 HB2 -0.01 0.04 -0.09 -0.04 3.26 3.16 2ziuA1 HIS 436 HB3 -0.01 0.04 0.07 -0.04 3.20 3.25 2ziuA1 HIS 436 HD2 -0.01 0.01 -0.12 -0.04 6.97 6.81 2ziuA1 HIS 436 HE1 -0.00 -0.06 -0.00 -0.04 7.75 7.64 2ziuA1 LEU 437 H 0.29 0.08 -0.00 -0.55 8.37 8.19 2ziuA1 LEU 437 HA 0.09 0.06 0.38 -0.75 4.35 4.13 2ziuA1 LEU 437 HB2 0.14 0.18 0.30 -0.04 1.64 2.22 2ziuA1 LEU 437 HB3 0.06 -0.15 0.19 -0.04 1.64 1.70 2ziuA1 LEU 437 HG 0.03 0.03 -0.01 -0.04 1.64 1.64 2ziuA1 LEU 437 HD13 0.03 -0.00 0.08 -0.04 0.93 0.99 2ziuA1 LEU 437 HD23 0.03 -0.03 -0.01 -0.04 0.89 0.83 2ziuA1 SER 438 H 0.03 -0.01 -0.41 -0.55 8.46 7.53 2ziuA1 SER 438 HA 0.01 0.22 0.81 -0.75 4.49 4.78 2ziuA1 SER 438 HB2 -0.01 -0.04 0.19 -0.04 3.95 4.05 2ziuA1 SER 438 HB3 -0.01 0.05 0.11 -0.04 3.93 4.03 2ziuA1 ILE 439 H -0.02 0.02 0.07 -0.55 8.25 7.77 2ziuA1 ILE 439 HA -0.02 0.17 0.49 -0.75 4.18 4.07 2ziuA1 ILE 439 HB -0.06 -0.09 0.04 -0.04 1.89 1.75 2ziuA1 ILE 439 HG12 -0.07 -0.02 -0.04 -0.04 1.49 1.32 2ziuA1 ILE 439 HG13 -0.04 0.10 -0.04 -0.04 1.21 1.19 2ziuA1 ILE 439 HG23 -0.06 0.07 -0.18 -0.04 0.93 0.72 2ziuA1 ILE 439 HD13 -0.03 -0.05 0.05 -0.04 0.88 0.80 2ziuA1 PRO 440 HA 0.02 0.15 0.50 -0.51 4.44 4.60 2ziuA1 PRO 440 HB2 -0.01 -0.13 0.07 -0.04 2.28 2.17 2ziuA1 PRO 440 HB3 0.00 0.15 0.15 -0.04 2.02 2.27 2ziuA1 PRO 440 HG2 -0.02 -0.15 0.10 -0.04 2.03 1.92 2ziuA1 PRO 440 HG3 -0.01 0.12 0.09 -0.04 2.03 2.19 2ziuA1 PRO 440 HD2 -0.02 0.06 0.23 -0.04 3.68 3.91 2ziuA1 PRO 440 HD3 -0.01 0.30 0.21 -0.04 3.65 4.11 2ziuA1 GLU 441 H 0.01 0.23 0.24 -0.55 8.60 8.53 2ziuA1 GLU 441 HA -0.04 0.08 0.42 -0.75 4.29 3.99 2ziuA1 GLU 441 HB2 0.00 0.17 0.24 -0.04 2.09 2.46 2ziuA1 GLU 441 HB3 -0.00 -0.02 0.12 -0.04 1.99 2.04 2ziuA1 GLU 441 HG2 -0.01 0.04 0.03 -0.04 2.34 2.36 2ziuA1 GLU 441 HG3 -0.03 -0.07 -0.05 -0.04 2.34 2.16 2ziuA1 SER 442 H -0.01 0.13 -0.16 -0.55 8.46 7.87 2ziuA1 SER 442 HA -0.02 0.08 0.35 -0.75 4.49 4.15 2ziuA1 SER 442 HB2 -0.02 0.06 0.04 -0.04 3.95 3.99 2ziuA1 SER 442 HB3 -0.01 0.01 0.09 -0.04 3.93 3.97 2ziuA1 THR 443 H -0.03 0.27 -0.47 -0.55 8.28 7.50 2ziuA1 THR 443 HA -0.05 0.11 0.56 -0.75 4.39 4.26 2ziuA1 THR 443 HB -0.05 0.16 0.06 -0.04 4.32 4.45 2ziuA1 THR 443 HG23 -0.07 0.00 -0.13 -0.04 1.22 0.98 2ziuA1 LEU 444 H -0.07 0.42 -0.10 -0.55 8.37 8.08 2ziuA1 LEU 444 HA -0.15 0.03 0.36 -0.75 4.35 3.83 2ziuA1 LEU 444 HB2 -0.07 0.09 0.18 -0.04 1.64 1.79 2ziuA1 LEU 444 HB3 -0.09 -0.05 -0.06 -0.04 1.64 1.40 2ziuA1 LEU 444 HG -0.07 0.18 -0.15 -0.04 1.64 1.56 2ziuA1 LEU 444 HD13 -0.08 -0.02 -0.06 -0.04 0.93 0.73 2ziuA1 LEU 444 HD23 -0.11 -0.02 -0.11 -0.04 0.89 0.61 2ziuA1 GLN 445 H -0.06 0.60 -0.04 -0.55 8.47 8.42 2ziuA1 GLN 445 HA -0.06 -0.02 0.30 -0.75 4.36 3.83 2ziuA1 GLN 445 HB2 -0.04 0.01 0.09 -0.04 2.15 2.17 2ziuA1 GLN 445 HB3 -0.04 0.13 0.07 -0.04 2.02 2.14 2ziuA1 GLN 445 HG2 -0.03 0.03 -0.16 -0.04 2.40 2.20 2ziuA1 GLN 445 HG3 -0.04 -0.06 0.03 -0.04 2.39 2.28 2ziuA1 GLN 445 HE21 -0.02 0.01 -0.02 -0.04 6.97 6.90 2ziuA1 GLN 445 HE22 -0.03 -0.01 -0.01 -0.04 7.69 7.59 2ziuA1 GLN 446 H -0.06 0.29 -0.54 -0.55 8.47 7.61 2ziuA1 GLN 446 HA -0.04 0.02 0.40 -0.75 4.36 3.99 2ziuA1 GLN 446 HB2 -0.04 0.19 0.20 -0.04 2.15 2.46 2ziuA1 GLN 446 HB3 -0.05 0.09 0.12 -0.04 2.02 2.14 2ziuA1 GLN 446 HG2 -0.02 -0.01 -0.00 -0.04 2.40 2.32 2ziuA1 GLN 446 HG3 -0.02 -0.03 -0.08 -0.04 2.39 2.21 2ziuA1 GLN 446 HE21 -0.02 0.01 0.00 -0.04 6.97 6.92 2ziuA1 GLN 446 HE22 -0.02 -0.02 0.02 -0.04 7.69 7.63 2ziuA1 ALA 447 H -0.11 0.60 -0.12 -0.55 8.40 8.22 2ziuA1 ALA 447 HA -0.02 0.01 0.45 -0.75 4.34 4.02 2ziuA1 ALA 447 HB3 -0.42 0.02 0.10 -0.04 1.41 1.08 2ziuA1 ILE 448 H -0.11 0.60 -0.09 -0.55 8.25 8.11 2ziuA1 ILE 448 HA -0.09 0.04 0.45 -0.75 4.18 3.82 2ziuA1 ILE 448 HB -0.07 0.07 0.05 -0.04 1.89 1.91 2ziuA1 ILE 448 HG12 -0.10 -0.03 -0.07 -0.04 1.49 1.25 2ziuA1 ILE 448 HG13 -0.13 0.14 -0.07 -0.04 1.21 1.11 2ziuA1 ILE 448 HG23 -0.06 -0.01 -0.14 -0.04 0.93 0.69 2ziuA1 ILE 448 HD13 -0.06 -0.03 -0.14 -0.04 0.88 0.61 2ziuA1 VAL 449 H -0.05 0.70 -0.09 -0.55 8.24 8.25 2ziuA1 VAL 449 HA -0.04 0.04 0.51 -0.75 4.13 3.89 2ziuA1 VAL 449 HB -0.03 0.12 0.14 -0.04 2.12 2.30 2ziuA1 VAL 449 HG13 -0.03 -0.01 -0.05 -0.04 0.97 0.83 2ziuA1 VAL 449 HG23 -0.04 0.00 0.03 -0.04 0.95 0.90 2ziuA1 ASN 450 H -0.03 0.48 -0.24 -0.55 8.53 8.19 2ziuA1 ASN 450 HA -0.02 -0.01 0.46 -0.75 4.76 4.44 2ziuA1 ASN 450 HB2 0.01 0.08 0.24 -0.04 2.88 3.17 2ziuA1 ASN 450 HB3 -0.00 -0.05 -0.04 -0.04 2.79 2.65 2ziuA1 ASN 450 HD21 -0.00 -0.04 -0.05 -0.04 7.03 6.89 2ziuA1 ASN 450 HD22 0.02 -0.05 -0.05 -0.04 7.74 7.62 2ziuA1 THR 451 H -0.04 0.54 -0.17 -0.55 8.28 8.05 2ziuA1 THR 451 HA -0.27 -0.02 0.29 -0.75 4.39 3.64 2ziuA1 THR 451 HB -0.14 0.15 0.08 -0.04 4.32 4.36 2ziuA1 THR 451 HG23 -0.34 -0.02 -0.20 -0.04 1.22 0.63 2ziuA1 GLN 452 H -0.05 0.20 -0.63 -0.55 8.47 7.44 2ziuA1 GLN 452 HA 0.03 0.17 0.40 -0.75 4.36 4.20 2ziuA1 GLN 452 HB2 -0.05 0.01 0.12 -0.04 2.15 2.19 2ziuA1 GLN 452 HB3 -0.04 0.02 0.21 -0.04 2.02 2.17 2ziuA1 GLN 452 HG2 -0.03 0.09 -0.10 -0.04 2.40 2.32 2ziuA1 GLN 452 HG3 -0.09 -0.11 0.07 -0.04 2.39 2.22 2ziuA1 GLN 452 HE21 -0.05 -0.05 0.00 -0.04 6.97 6.83 2ziuA1 GLN 452 HE22 -0.04 0.06 -0.04 -0.04 7.69 7.63 2ziuA1 VAL 453 H -0.02 0.57 0.14 -0.55 8.24 8.37 2ziuA1 VAL 453 HA 0.01 0.08 0.44 -0.75 4.13 3.90 2ziuA1 VAL 453 HB -0.01 -0.03 0.17 -0.04 2.12 2.20 2ziuA1 VAL 453 HG13 0.00 -0.01 -0.10 -0.04 0.97 0.82 2ziuA1 VAL 453 HG23 -0.01 0.00 0.09 -0.04 0.95 0.99 2ziuA1 VAL 454 H -0.02 0.37 0.13 -0.55 8.24 8.17 2ziuA1 VAL 454 HA 0.01 0.11 0.58 -0.75 4.13 4.06 2ziuA1 VAL 454 HB -0.03 0.01 0.06 -0.04 2.12 2.12 2ziuA1 VAL 454 HG13 -0.00 -0.01 -0.12 -0.04 0.97 0.80 2ziuA1 VAL 454 HG23 -0.01 -0.03 0.05 -0.04 0.95 0.92 2ziuA1 ASP 455 H -0.07 0.27 -0.07 -0.55 8.40 7.98 2ziuA1 ASP 455 HA 0.01 0.06 0.50 -0.75 4.63 4.45 2ziuA1 ASP 455 HB2 -0.44 0.26 0.15 -0.04 2.71 2.64 2ziuA1 ASP 455 HB3 -0.53 -0.00 0.04 -0.04 2.70 2.17 2ziuA1 GLY 456 H 0.06 0.17 -0.45 -0.55 8.43 7.66 2ziuA1 GLY 456 HA2 0.12 0.12 0.32 -0.51 4.01 4.06 2ziuA1 GLY 456 HA3 0.16 0.02 0.45 -0.51 4.01 4.12 2ziuA1 PHE 457 H 0.33 0.26 -0.07 -0.55 8.34 8.31 2ziuA1 PHE 457 HA 0.14 0.24 0.48 -0.75 4.62 4.72 2ziuA1 PHE 457 HB2 0.11 -0.01 -0.20 -0.04 3.15 3.01 2ziuA1 PHE 457 HB3 0.21 -0.14 -0.19 -0.04 3.06 2.90 2ziuA1 PHE 457 HD2 0.24 -0.02 -0.38 -0.04 7.28 7.08 2ziuA1 PHE 457 HE2 0.10 -0.00 -0.06 -0.04 7.38 7.38 2ziuA1 PHE 457 HZ 0.04 0.15 0.05 -0.04 7.32 7.53 2ziuA1 PHE 458 H 0.39 0.39 0.21 -0.55 8.34 8.78 2ziuA1 PHE 458 HA 0.13 0.16 0.77 -0.75 4.62 4.92 2ziuA1 PHE 458 HB2 0.12 0.12 0.03 -0.04 3.15 3.38 2ziuA1 PHE 458 HB3 0.15 -0.10 0.21 -0.04 3.06 3.28 2ziuA1 PHE 458 HD2 0.09 -0.05 -0.21 -0.04 7.28 7.07 2ziuA1 PHE 458 HE2 0.04 -0.05 -0.09 -0.04 7.38 7.23 2ziuA1 PHE 458 HZ 0.04 -0.05 -0.04 -0.04 7.32 7.23 2ziuA1 VAL 459 H -0.21 0.22 0.06 -0.55 8.24 7.76 2ziuA1 VAL 459 HA 0.15 0.15 0.77 -0.75 4.13 4.44 2ziuA1 VAL 459 HB -0.10 0.01 0.11 -0.04 2.12 2.10 2ziuA1 VAL 459 HG13 -0.03 -0.03 -0.18 -0.04 0.97 0.69 2ziuA1 VAL 459 HG23 0.01 0.06 -0.11 -0.04 0.95 0.87 2ziuA1 LYS 460 H 0.10 0.63 0.31 -0.55 8.42 8.90 2ziuA1 LYS 460 HA -0.03 0.16 0.85 -0.75 4.32 4.55 2ziuA1 LYS 460 HB2 0.18 0.08 -0.11 -0.04 1.87 1.97 2ziuA1 LYS 460 HB3 -0.11 -0.05 0.06 -0.04 1.79 1.65 2ziuA1 LYS 460 HG2 -1.41 -0.02 -0.11 -0.04 1.46 -0.12 2ziuA1 LYS 460 HG3 -0.35 -0.08 -0.39 -0.04 1.46 0.60 2ziuA1 LYS 460 HD2 -0.03 0.02 0.05 -0.04 1.69 1.69 2ziuA1 LYS 460 HD3 0.01 0.03 -0.04 -0.04 1.68 1.64 2ziuA1 LYS 460 HE2 -0.12 -0.06 -0.07 -0.04 2.99 2.70 2ziuA1 LYS 460 HE3 -0.10 0.12 -0.11 -0.04 2.99 2.86 2ziuA1 ARG 461 H -0.05 0.20 0.10 -0.55 8.46 8.17 2ziuA1 ARG 461 HA -0.01 0.14 0.89 -0.75 4.34 4.60 2ziuA1 ARG 461 HB2 -0.03 0.01 0.11 -0.04 1.90 1.95 2ziuA1 ARG 461 HB3 -0.02 0.02 0.04 -0.04 1.80 1.80 2ziuA1 ARG 461 HG2 -0.02 -0.01 -0.03 -0.04 1.67 1.57 2ziuA1 ARG 461 HG3 -0.04 -0.02 -0.10 -0.04 1.67 1.47 2ziuA1 ARG 461 HD2 -0.03 0.02 -0.01 -0.04 3.22 3.16 2ziuA1 ARG 461 HD3 -0.03 -0.01 -0.02 -0.04 3.22 3.11 2ziuA1 VAL 462 H -0.01 0.76 0.46 -0.55 8.24 8.90 2ziuA1 VAL 462 HA -0.02 0.19 0.74 -0.75 4.13 4.29 2ziuA1 VAL 462 HB -0.02 0.05 -0.14 -0.04 2.12 1.96 2ziuA1 VAL 462 HG13 0.00 -0.11 -0.11 -0.04 0.97 0.71 2ziuA1 VAL 462 HG23 -0.06 0.05 -0.28 -0.04 0.95 0.61 2ziuA1 GLN 463 H 0.00 0.16 0.15 -0.55 8.47 8.24 2ziuA1 GLN 463 HA -0.00 0.24 1.03 -0.75 4.36 4.88 2ziuA1 GLN 463 HB2 0.00 0.09 -0.03 -0.04 2.15 2.17 2ziuA1 GLN 463 HB3 0.00 -0.00 0.05 -0.04 2.02 2.03 2ziuA1 GLN 463 HG2 0.00 -0.07 0.16 -0.04 2.40 2.46 2ziuA1 GLN 463 HG3 -0.00 0.08 0.02 -0.04 2.39 2.44 2ziuA1 GLN 463 HE21 0.00 0.04 -0.00 -0.04 6.97 6.97 2ziuA1 GLN 463 HE22 0.00 -0.01 0.02 -0.04 7.69 7.66 2ziuA1 ASP 464 H 0.01 0.25 0.08 -0.55 8.40 8.19 2ziuA1 ASP 464 HA 0.01 0.03 0.40 -0.75 4.63 4.32 2ziuA1 ASP 464 HB2 0.01 -0.06 0.23 -0.04 2.71 2.85 2ziuA1 ASP 464 HB3 0.01 0.47 0.16 -0.04 2.70 3.30 2ziuA1 ALA 465 H 0.01 0.24 0.16 -0.55 8.40 8.27 2ziuA1 ALA 465 HA 0.02 0.12 0.34 -0.75 4.34 4.07 2ziuA1 ALA 465 HB3 0.02 0.02 0.12 -0.04 1.41 1.53 2ziuA1 LYS 466 H 0.01 0.14 -0.06 -0.55 8.42 7.95 2ziuA1 LYS 466 HA -0.00 0.11 0.35 -0.75 4.32 4.02 2ziuA1 LYS 466 HB2 0.01 0.02 0.09 -0.04 1.87 1.94 2ziuA1 LYS 466 HB3 0.01 -0.02 0.03 -0.04 1.79 1.76 2ziuA1 LYS 466 HG2 0.01 0.02 -0.19 -0.04 1.46 1.26 2ziuA1 LYS 466 HG3 0.01 0.04 0.03 -0.04 1.46 1.49 2ziuA1 LYS 466 HD2 0.01 -0.00 -0.01 -0.04 1.69 1.65 2ziuA1 LYS 466 HD3 0.01 -0.00 -0.04 -0.04 1.68 1.61 2ziuA1 LYS 466 HE2 0.01 0.02 -0.04 -0.04 2.99 2.93 2ziuA1 LYS 466 HE3 0.01 0.03 -0.02 -0.04 2.99 2.97 2ziuA1 GLU 467 H 0.01 0.06 -0.35 -0.55 8.60 7.77 2ziuA1 GLU 467 HA 0.03 0.12 0.40 -0.75 4.29 4.08 2ziuA1 GLU 467 HB2 0.01 -0.05 0.08 -0.04 2.09 2.10 2ziuA1 GLU 467 HB3 0.01 -0.07 0.07 -0.04 1.99 1.97 2ziuA1 GLU 467 HG2 0.02 0.08 0.05 -0.04 2.34 2.45 2ziuA1 GLU 467 HG3 0.02 0.08 0.07 -0.04 2.34 2.47 2ziuA1 SER 468 H 0.01 0.33 -0.20 -0.55 8.46 8.05 2ziuA1 SER 468 HA 0.05 0.06 0.38 -0.75 4.49 4.23 2ziuA1 SER 468 HB2 -0.01 0.13 0.12 -0.04 3.95 4.15 2ziuA1 SER 468 HB3 -0.03 0.03 -0.08 -0.04 3.93 3.80 2ziuA1 ALA 469 H -0.01 0.46 -0.15 -0.55 8.40 8.15 2ziuA1 ALA 469 HA -0.09 0.03 0.33 -0.75 4.34 3.86 2ziuA1 ALA 469 HB3 -0.03 0.08 0.07 -0.04 1.41 1.49 2ziuA1 ALA 470 H 0.02 0.59 0.00 -0.55 8.40 8.47 2ziuA1 ALA 470 HA 0.01 0.02 0.35 -0.75 4.34 3.97 2ziuA1 ALA 470 HB3 0.04 0.03 0.09 -0.04 1.41 1.52 2ziuA1 TYR 471 H 0.14 0.50 -0.25 -0.55 8.29 8.12 2ziuA1 TYR 471 HA -0.02 -0.03 0.28 -0.75 4.56 4.04 2ziuA1 TYR 471 HB2 -0.00 -0.02 0.09 -0.04 3.06 3.08 2ziuA1 TYR 471 HB3 -0.03 0.15 0.11 -0.04 2.98 3.17 2ziuA1 TYR 471 HD2 -0.01 -0.01 -0.10 -0.04 7.15 6.99 2ziuA1 TYR 471 HE2 0.04 0.00 -0.11 -0.04 6.85 6.74 2ziuA1 LEU 472 H 0.01 0.50 -0.33 -0.55 8.37 8.01 2ziuA1 LEU 472 HA 0.00 -0.02 0.37 -0.75 4.35 3.95 2ziuA1 LEU 472 HB2 -0.10 0.17 0.20 -0.04 1.64 1.87 2ziuA1 LEU 472 HB3 -0.07 -0.07 -0.04 -0.04 1.64 1.43 2ziuA1 LEU 472 HG -0.16 0.26 -0.01 -0.04 1.64 1.69 2ziuA1 LEU 472 HD13 -0.86 -0.04 -0.12 -0.04 0.93 -0.13 2ziuA1 LEU 472 HD23 -0.24 -0.03 -0.11 -0.04 0.89 0.47 2ziuA1 THR 473 H -0.01 0.51 0.04 -0.55 8.28 8.28 2ziuA1 THR 473 HA 0.07 0.00 0.38 -0.75 4.39 4.09 2ziuA1 THR 473 HB 0.04 0.03 0.04 -0.04 4.32 4.39 2ziuA1 THR 473 HG23 0.02 0.05 0.01 -0.04 1.22 1.26 2ziuA1 ILE 474 H -0.03 0.49 -0.02 -0.55 8.25 8.13 2ziuA1 ILE 474 HA 0.04 -0.04 0.33 -0.75 4.18 3.75 2ziuA1 ILE 474 HB -0.15 0.13 0.04 -0.04 1.89 1.87 2ziuA1 ILE 474 HG12 0.02 -0.03 0.04 -0.04 1.49 1.48 2ziuA1 ILE 474 HG13 -0.01 0.08 0.06 -0.04 1.21 1.31 2ziuA1 ILE 474 HG23 -0.26 -0.01 -0.11 -0.04 0.93 0.51 2ziuA1 ILE 474 HD13 -0.01 -0.02 -0.06 -0.04 0.88 0.75 2ziuA1 MET 475 H -0.25 0.46 -0.47 -0.55 8.47 7.66 2ziuA1 MET 475 HA -0.44 -0.03 0.42 -0.75 4.52 3.72 2ziuA1 MET 475 HB2 -0.20 0.20 0.18 -0.04 2.15 2.29 2ziuA1 MET 475 HB3 -0.89 -0.09 -0.04 -0.04 2.03 0.97 2ziuA1 MET 475 HG2 -0.88 0.06 0.03 -0.04 2.63 1.80 2ziuA1 MET 475 HG3 -0.89 -0.08 -0.07 -0.04 2.56 1.48 2ziuA1 MET 475 HE3 -0.45 -0.01 -0.08 -0.04 2.10 1.52 2ziuA1 THR 476 H -0.06 0.62 0.05 -0.55 8.28 8.34 2ziuA1 THR 476 HA -0.48 -0.04 0.39 -0.75 4.39 3.52 2ziuA1 THR 476 HB 0.08 0.08 0.26 -0.04 4.32 4.70 2ziuA1 THR 476 HG23 0.16 -0.03 -0.04 -0.04 1.22 1.27 2ziuA1 ARG 477 H -0.01 0.60 -0.00 -0.55 8.46 8.50 2ziuA1 ARG 477 HA -0.02 0.01 0.44 -0.75 4.34 4.02 2ziuA1 ARG 477 HB2 0.09 0.06 0.12 -0.04 1.90 2.13 2ziuA1 ARG 477 HB3 -0.02 -0.03 0.02 -0.04 1.80 1.72 2ziuA1 ARG 477 HG2 0.02 -0.00 0.04 -0.04 1.67 1.68 2ziuA1 ARG 477 HG3 0.03 0.09 0.00 -0.04 1.67 1.75 2ziuA1 ARG 477 HD2 0.04 -0.05 -0.08 -0.04 3.22 3.09 2ziuA1 ARG 477 HD3 0.02 -0.02 -0.01 -0.04 3.22 3.17 2ziuA1 TYR 478 H 0.21 0.62 0.01 -0.55 8.29 8.58 2ziuA1 TYR 478 HA -0.09 -0.02 0.41 -0.75 4.56 4.10 2ziuA1 TYR 478 HB2 -0.22 0.14 0.14 -0.04 3.06 3.08 2ziuA1 TYR 478 HB3 -0.16 -0.02 -0.01 -0.04 2.98 2.74 2ziuA1 TYR 478 HD2 -0.10 0.09 0.08 -0.04 7.15 7.17 2ziuA1 TYR 478 HE2 -0.05 -0.02 0.00 -0.04 6.85 6.74 2ziuA1 LEU 479 H -0.17 0.49 -0.40 -0.55 8.37 7.74 2ziuA1 LEU 479 HA -0.03 -0.01 0.38 -0.75 4.35 3.93 2ziuA1 LEU 479 HB2 -0.43 0.24 0.21 -0.04 1.64 1.62 2ziuA1 LEU 479 HB3 -0.20 -0.11 -0.02 -0.04 1.64 1.26 2ziuA1 LEU 479 HG -0.58 0.11 0.08 -0.04 1.64 1.21 2ziuA1 LEU 479 HD13 -1.31 -0.04 -0.10 -0.04 0.93 -0.57 2ziuA1 LEU 479 HD23 -0.15 -0.03 0.00 -0.04 0.89 0.67 2ziuA1 GLN 480 H -0.05 0.46 -0.17 -0.55 8.47 8.17 2ziuA1 GLN 480 HA 0.06 0.00 0.51 -0.75 4.36 4.18 2ziuA1 GLN 480 HB2 -0.01 0.15 0.29 -0.04 2.15 2.54 2ziuA1 GLN 480 HB3 0.03 -0.07 0.08 -0.04 2.02 2.02 2ziuA1 GLN 480 HG2 0.03 -0.08 0.11 -0.04 2.40 2.42 2ziuA1 GLN 480 HG3 -0.02 0.33 0.10 -0.04 2.39 2.76 2ziuA1 GLN 480 HE21 0.06 -0.05 0.04 -0.04 6.97 6.98 2ziuA1 GLN 480 HE22 0.07 0.12 0.07 -0.04 7.69 7.91 2ziuA1 LYS 481 H -0.04 0.55 0.07 -0.55 8.42 8.44 2ziuA1 LYS 481 HA -0.01 0.00 0.44 -0.75 4.32 4.00 2ziuA1 LYS 481 HB2 -0.14 0.05 0.01 -0.04 1.87 1.75 2ziuA1 LYS 481 HB3 -0.09 -0.05 0.12 -0.04 1.79 1.74 2ziuA1 LYS 481 HG2 -0.13 0.46 0.18 -0.04 1.46 1.94 2ziuA1 LYS 481 HG3 -0.22 -0.07 -0.01 -0.04 1.46 1.12 2ziuA1 LYS 481 HD2 -0.07 -0.03 0.03 -0.04 1.69 1.58 2ziuA1 LYS 481 HD3 -0.04 -0.06 0.01 -0.04 1.68 1.55 2ziuA1 LYS 481 HE2 -0.05 0.03 0.09 -0.04 2.99 3.02 2ziuA1 LYS 481 HE3 -0.11 -0.04 -0.03 -0.04 2.99 2.76 2ziuA1 LEU 482 H -0.01 0.43 -0.41 -0.55 8.37 7.83 2ziuA1 LEU 482 HA -0.09 0.06 0.58 -0.75 4.35 4.14 2ziuA1 LEU 482 HB2 -0.08 0.11 0.12 -0.04 1.64 1.74 2ziuA1 LEU 482 HB3 -0.25 -0.03 0.10 -0.04 1.64 1.41 2ziuA1 LEU 482 HG -0.06 0.01 0.01 -0.04 1.64 1.56 2ziuA1 LEU 482 HD13 -0.05 -0.03 -0.06 -0.04 0.93 0.76 2ziuA1 LEU 482 HD23 -0.08 -0.01 0.02 -0.04 0.89 0.79 2ziuA1 TYR 483 H 0.13 0.34 -0.47 -0.55 8.29 7.73 2ziuA1 TYR 483 HA 0.05 0.19 0.93 -0.75 4.56 4.98 2ziuA1 TYR 483 HB2 0.02 0.15 0.10 -0.04 3.06 3.29 2ziuA1 TYR 483 HB3 0.09 -0.07 0.01 -0.04 2.98 2.97 2ziuA1 TYR 483 HD2 -0.02 0.32 0.00 -0.04 7.15 7.41 2ziuA1 TYR 483 HE2 -0.00 0.01 -0.08 -0.04 6.85 6.73 2ziuA1 GLN 484 H 0.11 0.22 -0.01 -0.55 8.47 8.24 2ziuA1 GLN 484 HA 0.10 0.00 0.40 -0.75 4.36 4.11 2ziuA1 GLN 484 HB2 0.02 -0.04 0.05 -0.04 2.15 2.14 2ziuA1 GLN 484 HB3 0.02 -0.03 -0.00 -0.04 2.02 1.97 2ziuA1 GLN 484 HG2 0.02 0.09 0.26 -0.04 2.40 2.73 2ziuA1 GLN 484 HG3 -0.01 -0.02 0.11 -0.04 2.39 2.44 2ziuA1 GLN 484 HE21 -0.00 -0.03 0.01 -0.04 6.97 6.92 2ziuA1 GLN 484 HE22 -0.02 -0.00 0.05 -0.04 7.69 7.67 2ziuA1 ASN 485 H 0.05 0.11 -0.26 -0.55 8.53 7.87 2ziuA1 ASN 485 HA 0.03 0.15 0.94 -0.75 4.76 5.13 2ziuA1 ASN 485 HB2 0.01 -0.05 -0.02 -0.04 2.88 2.78 2ziuA1 ASN 485 HB3 0.02 0.00 0.11 -0.04 2.79 2.88 2ziuA1 ASN 485 HD21 0.01 -0.02 0.05 -0.04 7.03 7.02 2ziuA1 ASN 485 HD22 0.01 -0.00 0.08 -0.04 7.74 7.78 2ziuA1 CYS 486 H 0.21 0.89 0.00 -0.55 8.50 9.05 2ziuA1 CYS 486 HA 0.10 0.10 0.94 -0.75 4.58 4.96 2ziuA1 CYS 486 HB2 0.37 0.01 0.12 -0.04 2.97 3.43 2ziuA1 CYS 486 HB3 0.18 -0.01 -0.04 -0.04 2.97 3.07 2ziuA1 THR 487 H 0.12 0.15 0.17 -0.55 8.28 8.16 2ziuA1 THR 487 HA 0.14 0.17 0.84 -0.75 4.39 4.79 2ziuA1 THR 487 HB 0.00 -0.02 0.08 -0.04 4.32 4.34 2ziuA1 THR 487 HG23 0.12 -0.02 0.13 -0.04 1.22 1.41 2ziuA1 LEU 488 H 0.20 0.34 0.20 -0.55 8.37 8.57 2ziuA1 LEU 488 HA 0.15 0.12 0.87 -0.75 4.35 4.73 2ziuA1 LEU 488 HB2 0.10 -0.07 0.17 -0.04 1.64 1.80 2ziuA1 LEU 488 HB3 0.03 0.04 0.01 -0.04 1.64 1.68 2ziuA1 LEU 488 HG -0.01 0.02 -0.05 -0.04 1.64 1.56 2ziuA1 LEU 488 HD13 0.28 -0.00 -0.32 -0.04 0.93 0.84 2ziuA1 LEU 488 HD23 -0.53 -0.03 -0.07 -0.04 0.89 0.21 2ziuA1 PHE 489 H 0.27 0.60 0.35 -0.55 8.34 9.01 2ziuA1 PHE 489 HA 0.07 0.15 0.74 -0.75 4.62 4.82 2ziuA1 PHE 489 HB2 -0.01 0.02 0.13 -0.04 3.15 3.25 2ziuA1 PHE 489 HB3 -0.04 -0.17 0.19 -0.04 3.06 3.00 2ziuA1 PHE 489 HD2 0.02 0.09 -0.01 -0.04 7.28 7.34 2ziuA1 PHE 489 HE2 -0.01 0.01 -0.03 -0.04 7.38 7.31 2ziuA1 PHE 489 HZ -0.09 -0.04 -0.04 -0.04 7.32 7.11 2ziuA1 CYS 490 H 0.13 0.19 0.09 -0.55 8.50 8.36 2ziuA1 CYS 490 HA -0.16 0.26 0.63 -0.75 4.58 4.56 2ziuA1 CYS 490 HB2 -0.71 0.05 -0.23 -0.04 2.97 2.03 2ziuA1 CYS 490 HB3 -0.68 0.18 -0.07 -0.04 2.97 2.35 2ziuA1 ARG 491 H -0.11 1.05 0.21 -0.55 8.46 9.06 2ziuA1 ARG 491 HA -0.06 0.07 0.21 -0.75 4.34 3.80 2ziuA1 ARG 491 HB2 -0.05 0.12 -0.02 -0.04 1.90 1.91 2ziuA1 ARG 491 HB3 -0.07 -0.11 0.05 -0.04 1.80 1.64 2ziuA1 ARG 491 HG2 -0.04 0.01 0.05 -0.04 1.67 1.65 2ziuA1 ARG 491 HG3 -0.03 0.03 0.02 -0.04 1.67 1.65 2ziuA1 ARG 491 HD2 -0.03 -0.06 0.04 -0.04 3.22 3.12 2ziuA1 ARG 491 HD3 -0.05 0.00 0.05 -0.04 3.22 3.19 2ziuA1 ALA 508 HA -0.01 0.00 0.21 -0.75 4.34 3.79 2ziuA1 ALA 508 HB3 0.01 -0.03 0.08 -0.04 1.41 1.43 2ziuA1 ASN 509 H 0.01 0.16 0.10 -0.55 8.53 8.25 2ziuA1 ASN 509 HA -0.04 0.13 0.91 -0.75 4.76 5.01 2ziuA1 ASN 509 HB2 0.23 -0.04 0.03 -0.04 2.88 3.05 2ziuA1 ASN 509 HB3 0.09 0.07 -0.05 -0.04 2.79 2.86 2ziuA1 ASN 509 HD21 0.03 -0.01 -0.05 -0.04 7.03 6.96 2ziuA1 ASN 509 HD22 0.06 -0.01 -0.09 -0.04 7.74 7.66 2ziuA1 LEU 510 H 0.13 0.08 0.12 -0.55 8.37 8.15 2ziuA1 LEU 510 HA 0.17 -0.00 0.31 -0.75 4.35 4.07 2ziuA1 LEU 510 HB2 -0.03 0.16 -0.16 -0.04 1.64 1.57 2ziuA1 LEU 510 HB3 -0.19 0.06 0.23 -0.04 1.64 1.70 2ziuA1 LEU 510 HG 0.04 -0.07 -0.11 -0.04 1.64 1.46 2ziuA1 LEU 510 HD13 -0.12 0.02 -0.00 -0.04 0.93 0.79 2ziuA1 LEU 510 HD23 -0.04 0.00 0.01 -0.04 0.89 0.82 2ziuA1 SER 511 H 0.03 -0.03 -0.35 -0.55 8.46 7.57 2ziuA1 SER 511 HA 0.03 0.18 0.43 -0.75 4.49 4.37 2ziuA1 SER 511 HB2 0.02 -0.20 0.02 -0.04 3.95 3.75 2ziuA1 SER 511 HB3 0.00 0.20 -0.13 -0.04 3.93 3.96 2ziuA1 CYS 512 H 0.07 0.12 0.11 -0.55 8.50 8.26 2ziuA1 CYS 512 HA 0.18 0.21 0.81 -0.75 4.58 5.03 2ziuA1 CYS 512 HB2 0.14 -0.02 0.08 -0.04 2.97 3.13 2ziuA1 CYS 512 HB3 0.21 0.14 0.27 -0.04 2.97 3.56 2ziuA1 SER 513 H 0.05 0.07 -0.16 -0.55 8.46 7.88 2ziuA1 SER 513 HA 0.08 0.14 0.67 -0.75 4.49 4.62 2ziuA1 SER 513 HB2 -0.01 -0.00 0.03 -0.04 3.95 3.92 2ziuA1 SER 513 HB3 -0.01 0.02 0.16 -0.04 3.93 4.06 2ziuA1 LEU 514 H 0.02 0.28 -0.49 -0.55 8.37 7.64 2ziuA1 LEU 514 HA -0.03 0.18 0.49 -0.75 4.35 4.24 2ziuA1 LEU 514 HB2 -0.03 0.01 -0.13 -0.04 1.64 1.44 2ziuA1 LEU 514 HB3 -0.04 0.14 -0.03 -0.04 1.64 1.67 2ziuA1 LEU 514 HG 0.02 0.06 -0.37 -0.04 1.64 1.31 2ziuA1 LEU 514 HD13 -0.07 0.01 -0.27 -0.04 0.93 0.56 2ziuA1 LEU 514 HD23 0.01 0.03 -0.61 -0.04 0.89 0.28 2ziuA1 MET 515 H -0.04 0.27 0.19 -0.55 8.47 8.34 2ziuA1 MET 515 HA -0.10 0.15 0.97 -0.75 4.52 4.79 2ziuA1 MET 515 HB2 -0.01 0.00 0.09 -0.04 2.15 2.19 2ziuA1 MET 515 HB3 -0.03 0.05 0.02 -0.04 2.03 2.03 2ziuA1 MET 515 HG2 -0.03 0.03 0.05 -0.04 2.63 2.64 2ziuA1 MET 515 HG3 0.01 -0.05 -0.13 -0.04 2.56 2.35 2ziuA1 MET 515 HE3 0.00 0.05 0.03 -0.04 2.10 2.14 2ziuA1 ALA 516 H -0.07 0.19 0.16 -0.55 8.40 8.14 2ziuA1 ALA 516 HA 0.15 0.36 0.73 -0.75 4.34 4.82 2ziuA1 ALA 516 HB3 0.13 -0.01 0.15 -0.04 1.41 1.65 2ziuA1 PHE 517 H 0.33 0.47 0.09 -0.55 8.34 8.68 2ziuA1 PHE 517 HA 0.17 0.12 0.29 -0.75 4.62 4.44 2ziuA1 PHE 517 HB2 0.09 0.04 -0.07 -0.04 3.15 3.17 2ziuA1 PHE 517 HB3 0.12 -0.04 0.08 -0.04 3.06 3.18 2ziuA1 PHE 517 HD2 0.08 0.01 -0.18 -0.04 7.28 7.15 2ziuA1 PHE 517 HE2 0.11 0.03 -0.11 -0.04 7.38 7.36 2ziuA1 PHE 517 HZ 0.11 0.05 -0.11 -0.04 7.32 7.33 2ziuA1 THR 518 H 0.34 0.15 -0.07 -0.55 8.28 8.15 2ziuA1 THR 518 HA 0.12 0.07 0.36 -0.75 4.39 4.17 2ziuA1 THR 518 HB 0.10 0.05 -0.01 -0.04 4.32 4.43 2ziuA1 THR 518 HG23 0.21 0.02 0.03 -0.04 1.22 1.44 2ziuA1 GLU 519 H 0.12 0.07 -0.36 -0.55 8.60 7.88 2ziuA1 GLU 519 HA 0.06 0.03 0.39 -0.75 4.29 4.01 2ziuA1 GLU 519 HB2 0.06 -0.08 0.12 -0.04 2.09 2.15 2ziuA1 GLU 519 HB3 0.06 0.15 0.06 -0.04 1.99 2.22 2ziuA1 GLU 519 HG2 0.06 -0.02 0.08 -0.04 2.34 2.42 2ziuA1 GLU 519 HG3 0.03 -0.01 0.07 -0.04 2.34 2.38 2ziuA1 PHE 520 H 0.08 0.42 -0.31 -0.55 8.34 7.98 2ziuA1 PHE 520 HA -0.09 0.10 0.52 -0.75 4.62 4.40 2ziuA1 PHE 520 HB2 -0.12 -0.01 0.01 -0.04 3.15 3.00 2ziuA1 PHE 520 HB3 -0.31 0.12 0.22 -0.04 3.06 3.05 2ziuA1 PHE 520 HD2 -0.49 0.08 -0.01 -0.04 7.28 6.81 2ziuA1 PHE 520 HE2 -0.11 -0.03 -0.07 -0.04 7.38 7.12 2ziuA1 PHE 520 HZ -0.07 0.13 -0.06 -0.04 7.32 7.28 2ziuA1 ASN 521 H -0.38 0.55 0.07 -0.55 8.53 8.22 2ziuA1 ASN 521 HA -0.83 0.00 0.45 -0.75 4.76 3.63 2ziuA1 ASN 521 HB2 -0.51 0.05 0.10 -0.04 2.88 2.48 2ziuA1 ASN 521 HB3 -0.15 0.02 -0.01 -0.04 2.79 2.62 2ziuA1 ASN 521 HD21 0.13 0.37 0.23 -0.04 7.03 7.72 2ziuA1 ASN 521 HD22 0.19 -0.04 0.04 -0.04 7.74 7.89 2ziuA1 TYR 522 H -0.05 0.29 -0.60 -0.55 8.29 7.39 2ziuA1 TYR 522 HA -0.11 0.07 0.59 -0.75 4.56 4.36 2ziuA1 TYR 522 HB2 -0.05 0.01 0.06 -0.04 3.06 3.04 2ziuA1 TYR 522 HB3 -0.07 0.10 0.17 -0.04 2.98 3.14 2ziuA1 TYR 522 HD2 -0.04 0.02 -0.02 -0.04 7.15 7.07 2ziuA1 TYR 522 HE2 -0.02 -0.00 -0.04 -0.04 6.85 6.74 2ziuA1 GLY 523 H -0.03 0.44 0.07 -0.55 8.43 8.37 2ziuA1 GLY 523 HA2 -0.30 -0.01 0.37 -0.51 4.01 3.56 2ziuA1 GLY 523 HA3 -0.13 0.14 0.35 -0.51 4.01 3.86 2ziuA1 ALA 524 H -0.37 0.39 -0.37 -0.55 8.40 7.51 2ziuA1 ALA 524 HA -0.22 0.08 0.34 -0.75 4.34 3.78 2ziuA1 ALA 524 HB3 -0.47 0.03 -0.05 -0.04 1.41 0.87 2ziuA1 ILE 525 H -0.25 0.36 -0.14 -0.55 8.25 7.66 2ziuA1 ILE 525 HA -0.13 0.02 0.34 -0.75 4.18 3.65 2ziuA1 ILE 525 HB -0.12 0.01 0.18 -0.04 1.89 1.91 2ziuA1 ILE 525 HG12 -0.08 -0.00 -0.11 -0.04 1.49 1.25 2ziuA1 ILE 525 HG13 -0.07 -0.02 0.06 -0.04 1.21 1.14 2ziuA1 ILE 525 HG23 -0.19 0.06 0.06 -0.04 0.93 0.82 2ziuA1 ILE 525 HD13 -0.03 -0.02 -0.00 -0.04 0.88 0.79 2ziuA1 LYS 526 H -0.34 0.48 -0.42 -0.55 8.42 7.58 2ziuA1 LYS 526 HA -0.20 -0.04 0.39 -0.75 4.32 3.72 2ziuA1 LYS 526 HB2 -0.62 0.10 0.05 -0.04 1.87 1.36 2ziuA1 LYS 526 HB3 -0.26 0.06 0.01 -0.04 1.79 1.56 2ziuA1 LYS 526 HG2 -0.16 -0.03 0.01 -0.04 1.46 1.24 2ziuA1 LYS 526 HG3 -0.37 -0.05 -0.02 -0.04 1.46 0.98 2ziuA1 LYS 526 HD2 -0.06 -0.06 -0.03 -0.04 1.69 1.50 2ziuA1 LYS 526 HD3 -0.52 -0.02 -0.06 -0.04 1.68 1.04 2ziuA1 LYS 526 HE2 -0.07 -0.03 -0.04 -0.04 2.99 2.82 2ziuA1 LYS 526 HE3 -0.02 -0.05 -0.02 -0.04 2.99 2.86 2ziuA1 ASN 527 H -0.18 0.71 0.01 -0.55 8.53 8.52 2ziuA1 ASN 527 HA -0.07 -0.04 0.46 -0.75 4.76 4.36 2ziuA1 ASN 527 HB2 -0.13 0.13 0.23 -0.04 2.88 3.06 2ziuA1 ASN 527 HB3 -0.12 -0.11 -0.01 -0.04 2.79 2.51 2ziuA1 ASN 527 HD21 -0.12 0.05 -0.07 -0.04 7.03 6.86 2ziuA1 ASN 527 HD22 -0.15 -0.10 -0.20 -0.04 7.74 7.26 2ziuA1 LYS 528 H -0.09 0.58 -0.11 -0.55 8.42 8.25 2ziuA1 LYS 528 HA 0.01 0.02 0.46 -0.75 4.32 4.05 2ziuA1 LYS 528 HB2 -0.01 -0.12 0.16 -0.04 1.87 1.85 2ziuA1 LYS 528 HB3 -0.04 0.01 0.09 -0.04 1.79 1.80 2ziuA1 LYS 528 HG2 -0.08 0.12 0.03 -0.04 1.46 1.50 2ziuA1 LYS 528 HG3 -0.04 -0.05 -0.03 -0.04 1.46 1.30 2ziuA1 LYS 528 HD2 -0.03 -0.12 0.04 -0.04 1.69 1.54 2ziuA1 LYS 528 HD3 -0.05 0.17 0.05 -0.04 1.68 1.80 2ziuA1 LYS 528 HE2 -0.07 -0.02 0.03 -0.04 2.99 2.89 2ziuA1 LYS 528 HE3 -0.04 -0.07 0.02 -0.04 2.99 2.86 2ziuA1 CYS 529 H -0.03 0.42 -0.96 -0.55 8.50 7.39 2ziuA1 CYS 529 HA -0.01 0.03 0.86 -0.75 4.58 4.70 2ziuA1 CYS 529 HB2 -0.05 0.14 0.03 -0.04 2.97 3.05 2ziuA1 CYS 529 HB3 -0.04 0.26 0.14 -0.04 2.97 3.30 2ziuA1 GLN 530 H 0.01 0.12 0.17 -0.55 8.47 8.21 2ziuA1 GLN 530 HA 0.02 0.22 0.98 -0.75 4.36 4.83 2ziuA1 GLN 530 HB2 0.02 -0.03 0.03 -0.04 2.15 2.13 2ziuA1 GLN 530 HB3 0.03 -0.05 0.07 -0.04 2.02 2.02 2ziuA1 GLN 530 HG2 0.03 0.05 -0.15 -0.04 2.40 2.28 2ziuA1 GLN 530 HG3 0.02 0.07 -0.13 -0.04 2.39 2.30 2ziuA1 GLN 530 HE21 0.03 -0.01 -0.04 -0.04 6.97 6.91 2ziuA1 GLN 530 HE22 0.03 0.01 -0.07 -0.04 7.69 7.62 2ziuA1 THR 531 H 0.03 0.11 0.23 -0.55 8.28 8.10 2ziuA1 THR 531 HA 0.02 0.27 0.90 -0.75 4.39 4.82 2ziuA1 THR 531 HB 0.02 -0.05 0.18 -0.04 4.32 4.43 2ziuA1 THR 531 HG23 0.02 0.07 -0.02 -0.04 1.22 1.25 2ziuA1 VAL 532 H 0.02 0.23 0.19 -0.55 8.24 8.13 2ziuA1 VAL 532 HA 0.04 0.12 0.46 -0.75 4.13 3.99 2ziuA1 VAL 532 HB 0.02 0.02 0.18 -0.04 2.12 2.30 2ziuA1 VAL 532 HG13 -0.00 0.02 -0.03 -0.04 0.97 0.91 2ziuA1 VAL 532 HG23 0.01 0.03 0.08 -0.04 0.95 1.03 2ziuA1 ARG 533 H 0.05 0.10 -0.08 -0.55 8.46 7.98 2ziuA1 ARG 533 HA 0.18 0.16 0.64 -0.75 4.34 4.57 2ziuA1 ARG 533 HB2 0.10 0.10 0.16 -0.04 1.90 2.21 2ziuA1 ARG 533 HB3 0.08 0.06 0.17 -0.04 1.80 2.07 2ziuA1 ARG 533 HG2 0.04 -0.07 0.05 -0.04 1.67 1.65 2ziuA1 ARG 533 HG3 0.04 -0.00 -0.17 -0.04 1.67 1.50 2ziuA1 ARG 533 HD2 0.04 0.04 -0.02 -0.04 3.22 3.24 2ziuA1 ARG 533 HD3 0.03 0.02 0.02 -0.04 3.22 3.26 2ziuA1 GLU 534 H 0.05 0.11 -0.25 -0.55 8.60 7.97 2ziuA1 GLU 534 HA 0.03 0.11 0.46 -0.75 4.29 4.13 2ziuA1 GLU 534 HB2 0.04 0.06 0.18 -0.04 2.09 2.33 2ziuA1 GLU 534 HB3 0.02 0.07 0.03 -0.04 1.99 2.07 2ziuA1 GLU 534 HG2 0.02 0.06 0.06 -0.04 2.34 2.44 2ziuA1 GLU 534 HG3 0.03 -0.12 0.10 -0.04 2.34 2.31 2ziuA1 VAL 535 H 0.07 0.36 -0.10 -0.55 8.24 8.01 2ziuA1 VAL 535 HA 0.06 0.08 0.44 -0.75 4.13 3.96 2ziuA1 VAL 535 HB 0.08 0.08 0.12 -0.04 2.12 2.36 2ziuA1 VAL 535 HG13 0.07 0.00 -0.08 -0.04 0.97 0.93 2ziuA1 VAL 535 HG23 0.04 0.04 0.01 -0.04 0.95 1.00 2ziuA1 PHE 536 H 0.21 0.37 -0.17 -0.55 8.34 8.21 2ziuA1 PHE 536 HA 0.04 0.01 0.35 -0.75 4.62 4.27 2ziuA1 PHE 536 HB2 0.02 0.00 0.19 -0.04 3.15 3.32 2ziuA1 PHE 536 HB3 0.02 0.16 0.11 -0.04 3.06 3.31 2ziuA1 PHE 536 HD2 0.04 0.08 -0.14 -0.04 7.28 7.21 2ziuA1 PHE 536 HE2 -0.01 0.14 -0.17 -0.04 7.38 7.31 2ziuA1 PHE 536 HZ -0.18 0.03 -0.10 -0.04 7.32 7.03 2ziuA1 ALA 537 H 0.05 0.47 -0.30 -0.55 8.40 8.08 2ziuA1 ALA 537 HA -0.20 0.02 0.43 -0.75 4.34 3.84 2ziuA1 ALA 537 HB3 -0.04 0.03 0.07 -0.04 1.41 1.43 2ziuA1 ARG 538 H 0.02 0.55 -0.09 -0.55 8.46 8.38 2ziuA1 ARG 538 HA -0.01 -0.02 0.36 -0.75 4.34 3.92 2ziuA1 ARG 538 HB2 0.04 0.06 0.20 -0.04 1.90 2.15 2ziuA1 ARG 538 HB3 0.02 -0.02 0.01 -0.04 1.80 1.78 2ziuA1 ARG 538 HG2 0.01 0.19 0.06 -0.04 1.67 1.89 2ziuA1 ARG 538 HG3 0.01 -0.05 -0.02 -0.04 1.67 1.58 2ziuA1 ARG 538 HD2 -0.02 -0.05 -0.01 -0.04 3.22 3.10 2ziuA1 ARG 538 HD3 -0.02 -0.03 -0.00 -0.04 3.22 3.13 2ziuA1 GLN 539 H 0.08 0.63 -0.26 -0.55 8.47 8.37 2ziuA1 GLN 539 HA 0.06 0.04 0.42 -0.75 4.36 4.13 2ziuA1 GLN 539 HB2 0.26 0.08 0.13 -0.04 2.15 2.59 2ziuA1 GLN 539 HB3 0.19 -0.05 -0.01 -0.04 2.02 2.12 2ziuA1 GLN 539 HG2 0.09 -0.03 -0.01 -0.04 2.40 2.41 2ziuA1 GLN 539 HG3 0.11 0.16 0.01 -0.04 2.39 2.62 2ziuA1 GLN 539 HE21 0.08 -0.05 -0.05 -0.04 6.97 6.91 2ziuA1 GLN 539 HE22 0.07 0.01 -0.05 -0.04 7.69 7.69 2ziuA1 LEU 540 H -0.04 0.51 -0.09 -0.55 8.37 8.20 2ziuA1 LEU 540 HA 0.05 0.02 0.44 -0.75 4.35 4.10 2ziuA1 LEU 540 HB2 -0.16 0.08 0.16 -0.04 1.64 1.68 2ziuA1 LEU 540 HB3 -0.09 -0.08 0.01 -0.04 1.64 1.43 2ziuA1 LEU 540 HG -0.61 0.21 0.06 -0.04 1.64 1.26 2ziuA1 LEU 540 HD13 -0.50 -0.02 -0.05 -0.04 0.93 0.33 2ziuA1 LEU 540 HD23 0.03 -0.02 -0.03 -0.04 0.89 0.83 2ziuA1 MET 541 H -0.03 0.51 -0.24 -0.55 8.47 8.16 2ziuA1 MET 541 HA -0.03 0.12 0.41 -0.75 4.52 4.27 2ziuA1 MET 541 HB2 -0.02 0.17 0.08 -0.04 2.15 2.34 2ziuA1 MET 541 HB3 -0.02 -0.09 0.10 -0.04 2.03 1.99 2ziuA1 MET 541 HG2 -0.04 0.04 -0.15 -0.04 2.63 2.44 2ziuA1 MET 541 HG3 -0.05 0.22 0.00 -0.04 2.56 2.69 2ziuA1 MET 541 HE3 -0.04 -0.03 -0.07 -0.04 2.10 1.92 2ziuA1 GLN 542 H 0.01 0.38 -0.77 -0.55 8.47 7.55 2ziuA1 GLN 542 HA 0.00 0.03 0.49 -0.75 4.36 4.12 2ziuA1 GLN 542 HB2 0.02 0.20 0.08 -0.04 2.15 2.41 2ziuA1 GLN 542 HB3 0.01 -0.10 0.11 -0.04 2.02 1.99 2ziuA1 GLN 542 HG2 0.02 0.16 0.09 -0.04 2.40 2.64 2ziuA1 GLN 542 HG3 0.02 -0.09 0.03 -0.04 2.39 2.32 2ziuA1 GLN 542 HE21 0.01 -0.02 0.00 -0.04 6.97 6.92 2ziuA1 GLN 542 HE22 0.01 -0.04 0.05 -0.04 7.69 7.66 2ziuA1 ILE 543 H 0.00 0.48 -0.35 -0.55 8.25 7.83 2ziuA1 ILE 543 HA -0.00 0.06 0.70 -0.75 4.18 4.18 2ziuA1 ILE 543 HB 0.00 0.14 0.17 -0.04 1.89 2.16 2ziuA1 ILE 543 HG12 0.00 -0.02 -0.04 -0.04 1.49 1.39 2ziuA1 ILE 543 HG13 0.02 0.07 -0.01 -0.04 1.21 1.24 2ziuA1 ILE 543 HG23 0.00 -0.02 -0.19 -0.04 0.93 0.68 2ziuA1 ILE 543 HD13 0.05 -0.02 -0.05 -0.04 0.88 0.82 2ziuA1 SER 544 H -0.01 0.16 0.11 -0.55 8.46 8.18 2ziuA1 SER 544 HA -0.01 0.04 0.36 -0.75 4.49 4.13 2ziuA1 SER 544 HB2 -0.01 0.06 0.13 -0.04 3.95 4.09 2ziuA1 SER 544 HB3 -0.01 -0.02 0.13 -0.04 3.93 3.99 2ziuA1 GLY 545 H -0.02 0.15 0.13 -0.55 8.43 8.15 2ziuA1 GLY 545 HA2 -0.02 -0.05 0.33 -0.51 4.01 3.77 2ziuA1 GLY 545 HA3 -0.02 0.20 0.84 -0.51 4.01 4.52 2ziuA1 VAL 546 H -0.03 0.71 -0.06 -0.55 8.24 8.32 2ziuA1 VAL 546 HA -0.09 0.04 0.72 -0.75 4.13 4.04 2ziuA1 VAL 546 HB -0.03 0.19 0.18 -0.04 2.12 2.42 2ziuA1 VAL 546 HG13 -0.07 -0.04 -0.30 -0.04 0.97 0.52 2ziuA1 VAL 546 HG23 -0.03 0.00 -0.11 -0.04 0.95 0.78 2ziuA1 SER 547 H -0.09 0.21 0.17 -0.55 8.46 8.21 2ziuA1 SER 547 HA -0.03 0.20 0.53 -0.75 4.49 4.43 2ziuA1 SER 547 HB2 0.00 -0.04 0.14 -0.04 3.95 4.02 2ziuA1 SER 547 HB3 -0.01 0.14 0.09 -0.04 3.93 4.11 2ziuA1 GLY 548 H -0.02 0.22 0.17 -0.55 8.43 8.25 2ziuA1 GLY 548 HA2 -0.03 0.16 0.34 -0.51 4.01 3.96 2ziuA1 GLY 548 HA3 -0.02 0.11 0.33 -0.51 4.01 3.92 2ziuA1 ASP 549 H 0.02 0.06 -0.31 -0.55 8.40 7.62 2ziuA1 ASP 549 HA 0.04 0.14 0.45 -0.75 4.63 4.50 2ziuA1 ASP 549 HB2 0.12 -0.00 0.06 -0.04 2.71 2.86 2ziuA1 ASP 549 HB3 0.23 -0.07 -0.01 -0.04 2.70 2.81 2ziuA1 LYS 550 H -0.05 0.25 -0.19 -0.55 8.42 7.87 2ziuA1 LYS 550 HA -0.07 0.07 0.44 -0.75 4.32 4.01 2ziuA1 LYS 550 HB2 -0.18 0.12 -0.01 -0.04 1.87 1.76 2ziuA1 LYS 550 HB3 -0.33 0.05 0.02 -0.04 1.79 1.49 2ziuA1 LYS 550 HG2 -1.11 -0.04 -0.05 -0.04 1.46 0.22 2ziuA1 LYS 550 HG3 -0.25 -0.14 0.11 -0.04 1.46 1.14 2ziuA1 LYS 550 HD2 -0.27 0.05 0.08 -0.04 1.69 1.50 2ziuA1 LYS 550 HD3 -0.70 0.05 0.00 -0.04 1.68 0.99 2ziuA1 LYS 550 HE2 -0.31 -0.07 0.03 -0.04 2.99 2.59 2ziuA1 LYS 550 HE3 -0.15 -0.16 0.19 -0.04 2.99 2.83 2ziuA1 ALA 551 H -0.06 0.41 -0.24 -0.55 8.40 7.96 2ziuA1 ALA 551 HA -0.11 0.06 0.35 -0.75 4.34 3.88 2ziuA1 ALA 551 HB3 -0.08 0.05 0.03 -0.04 1.41 1.37 2ziuA1 ALA 552 H -0.02 0.38 -0.29 -0.55 8.40 7.92 2ziuA1 ALA 552 HA -0.03 0.05 0.40 -0.75 4.34 4.01 2ziuA1 ALA 552 HB3 0.00 0.03 0.09 -0.04 1.41 1.49 2ziuA1 ALA 553 H 0.03 0.31 -0.21 -0.55 8.40 7.99 2ziuA1 ALA 553 HA 0.03 0.06 0.42 -0.75 4.34 4.10 2ziuA1 ALA 553 HB3 0.13 0.02 0.02 -0.04 1.41 1.55 2ziuA1 VAL 554 H 0.02 0.59 -0.09 -0.55 8.24 8.21 2ziuA1 VAL 554 HA 0.17 0.01 0.38 -0.75 4.13 3.94 2ziuA1 VAL 554 HB 0.04 -0.03 0.07 -0.04 2.12 2.15 2ziuA1 VAL 554 HG13 -0.09 0.16 0.07 -0.04 0.97 1.08 2ziuA1 VAL 554 HG23 0.10 0.00 -0.11 -0.04 0.95 0.90 2ziuA1 LEU 555 H -0.02 0.36 -0.49 -0.55 8.37 7.67 2ziuA1 LEU 555 HA 0.09 0.33 0.38 -0.75 4.35 4.39 2ziuA1 LEU 555 HB2 -0.03 0.12 0.13 -0.04 1.64 1.82 2ziuA1 LEU 555 HB3 0.02 -0.09 -0.03 -0.04 1.64 1.50 2ziuA1 LEU 555 HG 0.12 0.02 0.02 -0.04 1.64 1.75 2ziuA1 LEU 555 HD13 -0.35 0.05 -0.10 -0.04 0.93 0.49 2ziuA1 LEU 555 HD23 0.01 -0.03 0.01 -0.04 0.89 0.84 2ziuA1 GLU 556 H -0.04 0.50 -0.31 -0.55 8.60 8.20 2ziuA1 GLU 556 HA -0.10 -0.01 0.42 -0.75 4.29 3.85 2ziuA1 GLU 556 HB2 -0.29 0.14 0.11 -0.04 2.09 2.00 2ziuA1 GLU 556 HB3 -0.23 -0.08 0.06 -0.04 1.99 1.70 2ziuA1 GLU 556 HG2 -0.06 0.27 0.10 -0.04 2.34 2.61 2ziuA1 GLU 556 HG3 -0.08 -0.05 0.05 -0.04 2.34 2.22 2ziuA1 HIS 557 H -0.07 0.25 -0.38 -0.55 8.41 7.66 2ziuA1 HIS 557 HA -0.34 0.08 0.63 -0.75 4.63 4.24 2ziuA1 HIS 557 HB2 -0.25 0.14 0.15 -0.04 3.26 3.27 2ziuA1 HIS 557 HB3 -0.95 -0.05 0.00 -0.04 3.20 2.16 2ziuA1 HIS 557 HD2 -0.21 -0.00 0.01 -0.04 6.97 6.72 2ziuA1 HIS 557 HE1 -0.02 -0.09 0.04 -0.04 7.75 7.63 2ziuA1 TYR 558 H 0.04 0.55 -0.04 -0.55 8.29 8.29 2ziuA1 TYR 558 HA 0.05 0.04 0.71 -0.75 4.56 4.60 2ziuA1 TYR 558 HB2 0.13 0.04 0.08 -0.04 3.06 3.27 2ziuA1 TYR 558 HB3 0.05 -0.14 -0.05 -0.04 2.98 2.79 2ziuA1 TYR 558 HD2 0.01 -0.02 -0.09 -0.04 7.15 7.01 2ziuA1 TYR 558 HE2 -0.08 -0.01 -0.06 -0.04 6.85 6.66 2ziuA1 SER 559 H 0.10 0.14 0.04 -0.55 8.46 8.19 2ziuA1 SER 559 HA 0.14 0.20 0.50 -0.75 4.49 4.58 2ziuA1 SER 559 HB2 0.06 -0.08 0.13 -0.04 3.95 4.02 2ziuA1 SER 559 HB3 0.04 0.15 0.10 -0.04 3.93 4.17 2ziuA1 THR 560 H 0.11 0.14 -0.24 -0.55 8.28 7.74 2ziuA1 THR 560 HA -0.07 0.25 0.71 -0.75 4.39 4.53 2ziuA1 THR 560 HB -0.15 -0.04 0.14 -0.04 4.32 4.22 2ziuA1 THR 560 HG23 0.01 0.03 -0.22 -0.04 1.22 0.99 2ziuA1 VAL 561 H -0.80 0.22 0.15 -0.55 8.24 7.26 2ziuA1 VAL 561 HA -1.05 0.17 0.44 -0.75 4.13 2.94 2ziuA1 VAL 561 HB -0.95 0.05 0.12 -0.04 2.12 1.30 2ziuA1 VAL 561 HG13 -0.22 0.01 -0.00 -0.04 0.97 0.72 2ziuA1 VAL 561 HG23 -0.24 0.03 -0.00 -0.04 0.95 0.70 2ziuA1 SER 562 H -0.24 0.06 -0.14 -0.55 8.46 7.60 2ziuA1 SER 562 HA -0.09 0.15 0.35 -0.75 4.49 4.15 2ziuA1 SER 562 HB2 -0.08 0.01 0.09 -0.04 3.95 3.93 2ziuA1 SER 562 HB3 -0.07 -0.02 0.00 -0.04 3.93 3.80 2ziuA1 SER 563 H -0.09 0.10 -0.37 -0.55 8.46 7.56 2ziuA1 SER 563 HA -0.01 0.13 0.59 -0.75 4.49 4.44 2ziuA1 SER 563 HB2 0.16 0.11 0.03 -0.04 3.95 4.20 2ziuA1 SER 563 HB3 0.05 -0.00 0.05 -0.04 3.93 3.98 2ziuA1 LEU 564 H -0.15 0.30 -0.16 -0.55 8.37 7.82 2ziuA1 LEU 564 HA -0.79 0.08 0.42 -0.75 4.35 3.31 2ziuA1 LEU 564 HB2 -0.05 0.04 0.09 -0.04 1.64 1.68 2ziuA1 LEU 564 HB3 -0.25 0.08 0.15 -0.04 1.64 1.58 2ziuA1 LEU 564 HG -0.19 0.01 -0.23 -0.04 1.64 1.19 2ziuA1 LEU 564 HD13 -0.65 -0.00 -0.01 -0.04 0.93 0.23 2ziuA1 LEU 564 HD23 -0.14 0.01 -0.06 -0.04 0.89 0.65 2ziuA1 LEU 565 H -0.13 0.51 -0.23 -0.55 8.37 7.98 2ziuA1 LEU 565 HA 0.16 0.08 0.39 -0.75 4.35 4.22 2ziuA1 LEU 565 HB2 -0.03 0.08 0.16 -0.04 1.64 1.80 2ziuA1 LEU 565 HB3 0.03 -0.00 -0.00 -0.04 1.64 1.62 2ziuA1 LEU 565 HG -0.05 0.09 0.03 -0.04 1.64 1.67 2ziuA1 LEU 565 HD13 0.02 -0.03 -0.02 -0.04 0.93 0.87 2ziuA1 LEU 565 HD23 0.16 -0.00 0.04 -0.04 0.89 1.05 2ziuA1 GLN 566 H -0.05 0.41 -0.14 -0.55 8.47 8.14 2ziuA1 GLN 566 HA 0.00 0.00 0.36 -0.75 4.36 3.98 2ziuA1 GLN 566 HB2 -0.02 0.15 0.26 -0.04 2.15 2.50 2ziuA1 GLN 566 HB3 -0.01 0.08 0.12 -0.04 2.02 2.17 2ziuA1 GLN 566 HG2 0.01 0.01 0.00 -0.04 2.40 2.38 2ziuA1 GLN 566 HG3 0.00 -0.01 0.07 -0.04 2.39 2.41 2ziuA1 GLN 566 HE21 0.00 -0.04 -0.02 -0.04 6.97 6.88 2ziuA1 GLN 566 HE22 0.00 0.01 -0.00 -0.04 7.69 7.66 2ziuA1 ALA 567 H -0.17 0.56 -0.44 -0.55 8.40 7.80 2ziuA1 ALA 567 HA -0.05 0.00 0.44 -0.75 4.34 3.98 2ziuA1 ALA 567 HB3 -0.41 0.02 0.08 -0.04 1.41 1.06 2ziuA1 TYR 568 H -0.07 0.55 -0.04 -0.55 8.29 8.18 2ziuA1 TYR 568 HA -0.02 -0.06 0.44 -0.75 4.56 4.17 2ziuA1 TYR 568 HB2 -0.02 0.13 0.22 -0.04 3.06 3.35 2ziuA1 TYR 568 HB3 0.05 -0.02 -0.02 -0.04 2.98 2.94 2ziuA1 TYR 568 HD2 0.01 -0.05 -0.06 -0.04 7.15 7.01 2ziuA1 TYR 568 HE2 0.05 0.04 -0.12 -0.04 6.85 6.77 2ziuA1 ASP 569 H 0.09 0.53 -0.12 -0.55 8.40 8.35 2ziuA1 ASP 569 HA 0.07 0.05 0.47 -0.75 4.63 4.46 2ziuA1 ASP 569 HB2 0.05 -0.04 0.07 -0.04 2.71 2.75 2ziuA1 ASP 569 HB3 0.04 0.07 0.08 -0.04 2.70 2.84 2ziuA1 LYS 570 H 0.02 0.29 -0.32 -0.55 8.42 7.86 2ziuA1 LYS 570 HA 0.02 -0.03 0.45 -0.75 4.32 4.00 2ziuA1 LYS 570 HB2 0.01 0.18 0.19 -0.04 1.87 2.21 2ziuA1 LYS 570 HB3 0.01 0.06 0.06 -0.04 1.79 1.88 2ziuA1 LYS 570 HG2 0.02 -0.07 0.02 -0.04 1.46 1.39 2ziuA1 LYS 570 HG3 0.02 -0.03 0.13 -0.04 1.46 1.54 2ziuA1 LYS 570 HD2 0.02 -0.07 0.03 -0.04 1.69 1.62 2ziuA1 LYS 570 HD3 0.02 0.02 0.04 -0.04 1.68 1.72 2ziuA1 LYS 570 HE2 0.02 0.14 -0.08 -0.04 2.99 3.03 2ziuA1 LYS 570 HE3 0.03 -0.04 -0.02 -0.04 2.99 2.91 2ziuA1 CYS 571 H 0.04 0.27 -0.60 -0.55 8.50 7.66 2ziuA1 CYS 571 HA 0.02 -0.05 0.46 -0.75 4.58 4.25 2ziuA1 CYS 571 HB2 0.07 0.27 0.06 -0.04 2.97 3.33 2ziuA1 CYS 571 HB3 0.03 -0.26 0.09 -0.04 2.97 2.78 2ziuA1 SER 572 H 0.02 -0.08 0.12 -0.55 8.46 7.97 2ziuA1 SER 572 HA 0.02 0.26 0.83 -0.75 4.49 4.84 2ziuA1 SER 572 HB2 0.01 -0.01 0.08 -0.04 3.95 3.99 2ziuA1 SER 572 HB3 0.01 0.09 0.04 -0.04 3.93 4.04 2ziuA1 SER 573 H 0.01 0.04 0.17 -0.55 8.46 8.13 2ziuA1 SER 573 HA 0.01 0.10 0.40 -0.75 4.49 4.25 2ziuA1 SER 573 HB2 0.00 0.10 0.14 -0.04 3.95 4.15 2ziuA1 SER 573 HB3 -0.01 -0.01 0.08 -0.04 3.93 3.95 2ziuA1 GLU 574 H 0.01 0.12 0.22 -0.55 8.60 8.40 2ziuA1 GLU 574 HA 0.04 0.28 0.64 -0.75 4.29 4.50 2ziuA1 GLU 574 HB2 0.03 -0.09 0.19 -0.04 2.09 2.18 2ziuA1 GLU 574 HB3 0.08 0.04 -0.00 -0.04 1.99 2.07 2ziuA1 GLU 574 HG2 0.04 0.04 0.05 -0.04 2.34 2.43 2ziuA1 GLU 574 HG3 0.05 0.01 0.04 -0.04 2.34 2.40 2ziuA1 THR 575 H -0.03 0.10 0.09 -0.55 8.28 7.89 2ziuA1 THR 575 HA -0.14 0.11 0.30 -0.75 4.39 3.90 2ziuA1 THR 575 HB -0.04 0.07 0.06 -0.04 4.32 4.36 2ziuA1 THR 575 HG23 -0.02 0.01 0.05 -0.04 1.22 1.22 2ziuA1 GLU 576 H -0.05 -0.05 -1.21 -0.55 8.60 6.74 2ziuA1 GLU 576 HA -0.04 0.09 0.35 -0.75 4.29 3.94 2ziuA1 GLU 576 HB2 -0.01 -0.15 -0.01 -0.04 2.09 1.88 2ziuA1 GLU 576 HB3 -0.00 0.30 0.01 -0.04 1.99 2.26 2ziuA1 GLU 576 HG2 -0.01 0.07 -0.18 -0.04 2.34 2.18 2ziuA1 GLU 576 HG3 -0.01 0.00 -0.01 -0.04 2.34 2.28 2ziuA1 LYS 577 H -0.02 0.35 -0.04 -0.55 8.42 8.15 2ziuA1 LYS 577 HA 0.11 0.04 0.39 -0.75 4.32 4.10 2ziuA1 LYS 577 HB2 -0.10 0.02 0.13 -0.04 1.87 1.88 2ziuA1 LYS 577 HB3 0.52 -0.00 0.06 -0.04 1.79 2.33 2ziuA1 LYS 577 HG2 0.20 0.14 0.16 -0.04 1.46 1.92 2ziuA1 LYS 577 HG3 0.07 0.09 0.21 -0.04 1.46 1.79 2ziuA1 LYS 577 HD2 0.20 -0.12 0.07 -0.04 1.69 1.80 2ziuA1 LYS 577 HD3 0.21 -0.05 -0.00 -0.04 1.68 1.80 2ziuA1 LYS 577 HE2 0.12 0.47 0.01 -0.04 2.99 3.54 2ziuA1 LYS 577 HE3 0.08 0.04 -0.10 -0.04 2.99 2.97 2ziuA1 GLU 578 H -0.56 0.53 -0.17 -0.55 8.60 7.84 2ziuA1 GLU 578 HA -0.80 0.04 0.28 -0.75 4.29 3.05 2ziuA1 GLU 578 HB2 -0.90 -0.02 0.01 -0.04 2.09 1.14 2ziuA1 GLU 578 HB3 -0.33 -0.03 -0.01 -0.04 1.99 1.58 2ziuA1 GLU 578 HG2 -0.11 0.04 -0.25 -0.04 2.34 1.98 2ziuA1 GLU 578 HG3 -0.10 -0.03 0.06 -0.04 2.34 2.23 2ziuA1 LYS 579 H -0.10 0.51 -0.97 -0.55 8.42 7.30 2ziuA1 LYS 579 HA -0.03 0.07 0.90 -0.75 4.32 4.50 2ziuA1 LYS 579 HB2 -0.04 0.16 0.09 -0.04 1.87 2.04 2ziuA1 LYS 579 HB3 -0.02 -0.14 0.02 -0.04 1.79 1.61 2ziuA1 LYS 579 HG2 -0.03 -0.08 -0.09 -0.04 1.46 1.21 2ziuA1 LYS 579 HG3 -0.07 0.31 -0.06 -0.04 1.46 1.60 2ziuA1 LYS 579 HD2 -0.03 -0.01 -0.04 -0.04 1.69 1.57 2ziuA1 LYS 579 HD3 -0.02 -0.06 -0.03 -0.04 1.68 1.53 2ziuA1 LYS 579 HE2 -0.03 0.01 -0.05 -0.04 2.99 2.87 2ziuA1 LYS 579 HE3 -0.02 -0.04 -0.04 -0.04 2.99 2.84 2ziuA1 LEU 580 H -0.02 0.39 0.18 -0.55 8.37 8.37 2ziuA1 LEU 580 HA -0.04 -0.02 0.29 -0.75 4.35 3.83 2ziuA1 LEU 580 HB2 -0.05 -0.05 0.17 -0.04 1.64 1.68 2ziuA1 LEU 580 HB3 -0.10 0.04 0.07 -0.04 1.64 1.61 2ziuA1 LEU 580 HG -0.14 -0.03 -0.21 -0.04 1.64 1.23 2ziuA1 LEU 580 HD13 -0.04 -0.01 -0.01 -0.04 0.93 0.83 2ziuA1 LEU 580 HD23 -0.69 0.00 -0.13 -0.04 0.89 0.03 2ziuA1 LEU 581 H 0.01 0.16 -0.40 -0.55 8.37 7.59 2ziuA1 LEU 581 HA -0.04 0.18 0.90 -0.75 4.35 4.63 2ziuA1 LEU 581 HB2 0.05 0.05 0.01 -0.04 1.64 1.71 2ziuA1 LEU 581 HB3 0.02 -0.06 0.04 -0.04 1.64 1.61 2ziuA1 LEU 581 HG 0.06 -0.01 0.00 -0.04 1.64 1.65 2ziuA1 LEU 581 HD13 -0.08 0.04 -0.23 -0.04 0.93 0.62 2ziuA1 LEU 581 HD23 0.09 0.01 -0.06 -0.04 0.89 0.88 2ziuA1 SER 582 H -0.00 0.96 0.07 -0.55 8.46 8.94 2ziuA1 SER 582 HA 0.02 0.00 0.19 -0.75 4.49 3.95 2ziuA1 SER 582 HB2 0.00 0.09 0.11 -0.04 3.95 4.11 2ziuA1 SER 582 HB3 -0.00 0.06 -0.02 -0.04 3.93 3.93 2ziuA1 SER 583 H -0.02 0.14 -0.66 -0.55 8.46 7.37 2ziuA1 SER 583 HA 0.02 0.18 0.94 -0.75 4.49 4.87 2ziuA1 SER 583 HB2 -0.00 -0.00 0.06 -0.04 3.95 3.97 2ziuA1 SER 583 HB3 -0.01 -0.03 -0.12 -0.04 3.93 3.73 2ziuA1 VAL 584 H -0.01 0.40 -0.02 -0.55 8.24 8.06 2ziuA1 VAL 584 HA 0.04 0.04 0.45 -0.75 4.13 3.91 2ziuA1 VAL 584 HB 0.04 -0.01 0.14 -0.04 2.12 2.26 2ziuA1 VAL 584 HG13 0.22 -0.00 -0.31 -0.04 0.97 0.84 2ziuA1 VAL 584 HG23 -0.25 -0.01 0.09 -0.04 0.95 0.74 2ziuA1 LYS 585 H 0.15 0.10 0.21 -0.55 8.42 8.33 2ziuA1 LYS 585 HA 0.10 0.53 0.68 -0.75 4.32 4.87 2ziuA1 LYS 585 HB2 0.06 -0.08 0.16 -0.04 1.87 1.98 2ziuA1 LYS 585 HB3 0.01 -0.04 -0.08 -0.04 1.79 1.64 2ziuA1 LYS 585 HG2 0.00 -0.06 0.00 -0.04 1.46 1.36 2ziuA1 LYS 585 HG3 -0.01 0.24 -0.18 -0.04 1.46 1.47 2ziuA1 LYS 585 HD2 0.05 0.19 -0.10 -0.04 1.69 1.79 2ziuA1 LYS 585 HD3 0.04 -0.09 0.04 -0.04 1.68 1.62 2ziuA1 LYS 585 HE2 0.01 -0.06 -0.00 -0.04 2.99 2.90 2ziuA1 LYS 585 HE3 0.01 0.05 -0.06 -0.04 2.99 2.94 2ziuA1 TYR 586 H -0.09 0.41 0.15 -0.55 8.29 8.21 2ziuA1 TYR 586 HA 0.00 0.21 0.84 -0.75 4.56 4.87 2ziuA1 TYR 586 HB2 0.00 -0.05 -0.21 -0.04 3.06 2.76 2ziuA1 TYR 586 HB3 0.01 0.05 -0.22 -0.04 2.98 2.79 2ziuA1 TYR 586 HD2 0.01 0.04 -0.24 -0.04 7.15 6.91 2ziuA1 TYR 586 HE2 0.00 0.04 -0.43 -0.04 6.85 6.42 2ziuA1 GLY 587 H 0.12 0.14 0.06 -0.55 8.43 8.20 2ziuA1 GLY 587 HA2 0.01 0.02 0.35 -0.51 4.01 3.88 2ziuA1 GLY 587 HA3 -0.14 0.02 0.36 -0.51 4.01 3.74 2ziuA1 LYS 588 H -0.05 0.10 0.16 -0.55 8.42 8.07 2ziuA1 LYS 588 HA -0.04 0.16 0.47 -0.75 4.32 4.15 2ziuA1 LYS 588 HB2 -0.02 0.00 0.13 -0.04 1.87 1.93 2ziuA1 LYS 588 HB3 -0.04 -0.05 0.14 -0.04 1.79 1.81 2ziuA1 LYS 588 HG2 -0.03 0.04 -0.23 -0.04 1.46 1.20 2ziuA1 LYS 588 HG3 -0.03 0.03 0.05 -0.04 1.46 1.47 2ziuA1 LYS 588 HD2 -0.02 -0.00 0.01 -0.04 1.69 1.64 2ziuA1 LYS 588 HD3 -0.02 -0.02 -0.01 -0.04 1.68 1.59 2ziuA1 LYS 588 HE2 -0.02 0.01 -0.04 -0.04 2.99 2.90 2ziuA1 LYS 588 HE3 -0.02 0.02 -0.01 -0.04 2.99 2.94 2ziuA1 LEU 589 H -0.10 0.01 -0.02 -0.55 8.37 7.70 2ziuA1 LEU 589 HA -0.07 0.14 0.40 -0.75 4.35 4.07 2ziuA1 LEU 589 HB2 -0.12 -0.05 0.02 -0.04 1.64 1.45 2ziuA1 LEU 589 HB3 -0.08 0.06 0.12 -0.04 1.64 1.70 2ziuA1 LEU 589 HG -0.04 0.05 0.02 -0.04 1.64 1.63 2ziuA1 LEU 589 HD13 -0.04 -0.03 -0.01 -0.04 0.93 0.81 2ziuA1 LEU 589 HD23 -0.04 0.00 0.01 -0.04 0.89 0.83 2ziuA1 LYS 590 H -0.14 0.20 -1.10 -0.55 8.42 6.83 2ziuA1 LYS 590 HA -0.17 0.16 0.20 -0.75 4.32 3.77 2ziuA1 LYS 590 HB2 -0.06 0.00 -0.14 -0.04 1.87 1.63 2ziuA1 LYS 590 HB3 -0.05 -0.04 0.11 -0.04 1.79 1.78 2ziuA1 LYS 590 HG2 -0.06 0.12 -0.06 -0.04 1.46 1.42 2ziuA1 LYS 590 HG3 -0.05 0.09 -0.05 -0.04 1.46 1.40 2ziuA1 LYS 590 HD2 -0.03 -0.04 -0.02 -0.04 1.69 1.56 2ziuA1 LYS 590 HD3 -0.02 -0.02 -0.02 -0.04 1.68 1.57 2ziuA1 LYS 590 HE2 -0.03 0.04 -0.05 -0.04 2.99 2.91 2ziuA1 LYS 590 HE3 -0.03 -0.02 -0.01 -0.04 2.99 2.89 2ziuA1 ARG 591 H -0.48 0.09 -0.19 -0.55 8.46 7.32 2ziuA1 ARG 591 HA -0.08 0.15 0.54 -0.75 4.34 4.19 2ziuA1 ARG 591 HB2 -0.61 -0.08 -0.05 -0.04 1.90 1.12 2ziuA1 ARG 591 HB3 0.02 0.06 0.01 -0.04 1.80 1.85 2ziuA1 ARG 591 HG2 -0.04 0.01 0.02 -0.04 1.67 1.62 2ziuA1 ARG 591 HG3 -0.13 0.10 -0.11 -0.04 1.67 1.49 2ziuA1 ARG 591 HD2 0.03 0.02 -0.03 -0.04 3.22 3.20 2ziuA1 ARG 591 HD3 -0.02 -0.00 -0.02 -0.04 3.22 3.14 2ziuA1 ASN 592 H 0.06 0.09 0.12 -0.55 8.53 8.26 2ziuA1 ASN 592 HA 0.13 0.32 0.58 -0.75 4.76 5.03 2ziuA1 ASN 592 HB2 0.05 -0.08 0.15 -0.04 2.88 2.97 2ziuA1 ASN 592 HB3 0.06 0.04 0.04 -0.04 2.79 2.89 2ziuA1 ASN 592 HD21 0.02 -0.02 0.03 -0.04 7.03 7.02 2ziuA1 ASN 592 HD22 0.02 -0.02 0.07 -0.04 7.74 7.77 2ziuA1 LEU 593 H 0.14 0.49 0.05 -0.55 8.37 8.50 2ziuA1 LEU 593 HA -0.06 -0.03 0.34 -0.75 4.35 3.84 2ziuA1 LEU 593 HB2 0.02 0.13 0.09 -0.04 1.64 1.85 2ziuA1 LEU 593 HB3 -0.02 -0.08 -0.13 -0.04 1.64 1.38 2ziuA1 LEU 593 HG 0.02 0.13 0.00 -0.04 1.64 1.76 2ziuA1 LEU 593 HD13 0.00 0.02 -0.01 -0.04 0.93 0.90 2ziuA1 LEU 593 HD23 -0.25 -0.03 -0.03 -0.04 0.89 0.53 2ziuA1 GLY 594 H 0.04 0.26 -0.23 -0.55 8.43 7.96 2ziuA1 GLY 594 HA2 0.03 0.11 0.36 -0.51 4.01 4.00 2ziuA1 GLY 594 HA3 0.03 0.13 0.56 -0.51 4.01 4.23 2ziuA1 PRO 595 HA 0.01 0.12 0.43 -0.51 4.44 4.49 2ziuA1 PRO 595 HB2 0.01 0.06 0.03 -0.04 2.28 2.33 2ziuA1 PRO 595 HB3 0.01 0.06 0.14 -0.04 2.02 2.18 2ziuA1 PRO 595 HG2 0.01 -0.12 0.15 -0.04 2.03 2.03 2ziuA1 PRO 595 HG3 0.01 0.09 0.11 -0.04 2.03 2.19 2ziuA1 PRO 595 HD2 0.02 0.14 0.23 -0.04 3.68 4.03 2ziuA1 PRO 595 HD3 0.02 0.18 0.22 -0.04 3.65 4.03 2ziuA1 ALA 596 H 0.02 0.14 -0.09 -0.55 8.40 7.92 2ziuA1 ALA 596 HA 0.02 0.06 0.39 -0.75 4.34 4.06 2ziuA1 ALA 596 HB3 0.01 0.02 0.09 -0.04 1.41 1.50 2ziuA1 LEU 597 H 0.01 0.22 -0.14 -0.55 8.37 7.92 2ziuA1 LEU 597 HA 0.02 0.04 0.39 -0.75 4.35 4.05 2ziuA1 LEU 597 HB2 -0.01 0.22 -0.01 -0.04 1.64 1.80 2ziuA1 LEU 597 HB3 -0.01 -0.02 -0.13 -0.04 1.64 1.44 2ziuA1 LEU 597 HG -0.02 -0.04 0.01 -0.04 1.64 1.55 2ziuA1 LEU 597 HD13 -0.09 0.04 -0.08 -0.04 0.93 0.76 2ziuA1 LEU 597 HD23 -0.01 0.00 -0.09 -0.04 0.89 0.75 2ziuA1 SER 598 H 0.03 0.53 -0.30 -0.55 8.46 8.18 2ziuA1 SER 598 HA 0.08 0.00 0.34 -0.75 4.49 4.17 2ziuA1 SER 598 HB2 0.03 -0.06 -0.29 -0.04 3.95 3.59 2ziuA1 SER 598 HB3 0.03 0.10 0.05 -0.04 3.93 4.07 2ziuA1 ARG 599 H 0.06 0.51 -0.22 -0.55 8.46 8.27 2ziuA1 ARG 599 HA 0.18 0.08 0.61 -0.75 4.34 4.45 2ziuA1 ARG 599 HB2 0.06 0.02 0.15 -0.04 1.90 2.08 2ziuA1 ARG 599 HB3 0.07 0.19 0.26 -0.04 1.80 2.27 2ziuA1 ARG 599 HG2 0.13 -0.05 -0.29 -0.04 1.67 1.42 2ziuA1 ARG 599 HG3 0.17 -0.06 0.03 -0.04 1.67 1.77 2ziuA1 ARG 599 HD2 0.05 -0.02 -0.01 -0.04 3.22 3.19 2ziuA1 ARG 599 HD3 0.05 0.02 -0.01 -0.04 3.22 3.24 2ziuA1 THR 600 H 0.07 0.49 -0.01 -0.55 8.28 8.29 2ziuA1 THR 600 HA 0.04 0.01 0.41 -0.75 4.39 4.10 2ziuA1 THR 600 HB 0.04 0.09 0.12 -0.04 4.32 4.53 2ziuA1 THR 600 HG23 0.01 -0.01 -0.08 -0.04 1.22 1.10 2ziuA1 ILE 601 H 0.13 0.48 -0.24 -0.55 8.25 8.07 2ziuA1 ILE 601 HA 0.16 0.05 0.42 -0.75 4.18 4.06 2ziuA1 ILE 601 HB 0.23 0.08 0.00 -0.04 1.89 2.16 2ziuA1 ILE 601 HG12 0.14 -0.02 0.00 -0.04 1.49 1.57 2ziuA1 ILE 601 HG13 0.10 0.14 0.07 -0.04 1.21 1.47 2ziuA1 ILE 601 HG23 0.42 -0.01 -0.09 -0.04 0.93 1.20 2ziuA1 ILE 601 HD13 0.07 -0.02 -0.07 -0.04 0.88 0.81 2ziuA1 TYR 602 H 0.28 0.30 -0.51 -0.55 8.29 7.81 2ziuA1 TYR 602 HA -0.27 0.04 0.39 -0.75 4.56 3.97 2ziuA1 TYR 602 HB2 0.15 0.04 -0.09 -0.04 3.06 3.13 2ziuA1 TYR 602 HB3 0.05 0.18 0.24 -0.04 2.98 3.42 2ziuA1 TYR 602 HD2 -0.16 0.08 -0.03 -0.04 7.15 6.99 2ziuA1 TYR 602 HE2 -0.04 -0.01 -0.06 -0.04 6.85 6.70 2ziuA1 GLN 603 H -0.00 0.64 -0.07 -0.55 8.47 8.49 2ziuA1 GLN 603 HA -0.53 -0.03 0.32 -0.75 4.36 3.37 2ziuA1 GLN 603 HB2 -0.05 0.16 0.20 -0.04 2.15 2.41 2ziuA1 GLN 603 HB3 -0.12 -0.04 -0.04 -0.04 2.02 1.78 2ziuA1 GLN 603 HG2 -0.12 -0.06 0.02 -0.04 2.40 2.20 2ziuA1 GLN 603 HG3 -0.03 0.03 0.03 -0.04 2.39 2.37 2ziuA1 GLN 603 HE21 0.01 -0.03 -0.03 -0.04 6.97 6.88 2ziuA1 GLN 603 HE22 0.01 -0.03 -0.02 -0.04 7.69 7.61 2ziuA1 LEU 604 H -0.12 0.37 -0.34 -0.55 8.37 7.73 2ziuA1 LEU 604 HA -0.22 0.02 0.45 -0.75 4.35 3.85 2ziuA1 LEU 604 HB2 -0.18 -0.02 0.08 -0.04 1.64 1.48 2ziuA1 LEU 604 HB3 -0.23 0.09 0.14 -0.04 1.64 1.60 2ziuA1 LEU 604 HG -1.18 0.02 -0.27 -0.04 1.64 0.17 2ziuA1 LEU 604 HD13 -0.24 -0.01 0.00 -0.04 0.93 0.64 2ziuA1 LEU 604 HD23 -0.19 -0.01 -0.04 -0.04 0.89 0.61 2ziuA1 TYR 605 H -0.09 0.42 -0.17 -0.55 8.29 7.90 2ziuA1 TYR 605 HA -0.07 0.17 0.71 -0.75 4.56 4.61 2ziuA1 TYR 605 HB2 -0.12 0.09 0.07 -0.04 3.06 3.05 2ziuA1 TYR 605 HB3 -0.00 -0.07 0.10 -0.04 2.98 2.96 2ziuA1 TYR 605 HD2 0.08 0.24 0.05 -0.04 7.15 7.47 2ziuA1 TYR 605 HE2 0.11 -0.04 -0.03 -0.04 6.85 6.84 2ziuA1 CYS 606 H -0.29 0.26 -0.33 -0.55 8.50 7.59 2ziuA1 CYS 606 HA -0.14 0.20 0.93 -0.75 4.58 4.82 2ziuA1 CYS 606 HB2 -0.62 0.13 -0.04 -0.04 2.97 2.40 2ziuA1 CYS 606 HB3 -0.21 -0.10 0.05 -0.04 2.97 2.67 2ziuA1 THR 607 H -0.22 0.28 -0.09 -0.55 8.28 7.71 2ziuA1 THR 607 HA -0.15 -0.07 0.51 -0.75 4.39 3.93 2ziuA1 THR 607 HB -0.14 0.10 0.12 -0.04 4.32 4.36 2ziuA1 THR 607 HG23 -0.09 -0.02 -0.20 -0.04 1.22 0.88 2ziuA1 ARG 608 H -0.07 0.06 0.21 -0.55 8.46 8.11 2ziuA1 ARG 608 HA -0.05 0.13 0.39 -0.75 4.34 4.06 2ziuA1 ARG 608 HB2 -0.04 -0.08 0.10 -0.04 1.90 1.85 2ziuA1 ARG 608 HB3 -0.03 -0.03 0.06 -0.04 1.80 1.76 2ziuA1 ARG 608 HG2 -0.04 0.14 0.10 -0.04 1.67 1.82 2ziuA1 ARG 608 HG3 -0.02 -0.06 0.05 -0.04 1.67 1.59 2ziuA1 ARG 608 HD2 -0.02 -0.06 0.02 -0.04 3.22 3.12 2ziuA1 ARG 608 HD3 -0.03 0.04 -0.01 -0.04 3.22 3.18 2ziuA1 GLY 609 H -0.05 -0.04 -0.19 -0.55 8.43 7.60 2ziuA1 GLY 609 HA2 -0.03 0.15 0.74 -0.51 4.01 4.37 2ziuA1 GLY 609 HA3 -0.04 -0.03 0.33 -0.51 4.01 3.77 2ziuA1 PRO 610 HA -0.04 0.11 0.55 -0.51 4.44 4.55 2ziuA1 PRO 610 HB2 -0.03 0.10 0.06 -0.04 2.28 2.37 2ziuA1 PRO 610 HB3 -0.03 0.00 0.10 -0.04 2.02 2.06 2ziuA1 PRO 610 HG2 -0.03 0.02 -0.04 -0.04 2.03 1.94 2ziuA1 PRO 610 HG3 -0.02 0.01 0.04 -0.04 2.03 2.02 2ziuA1 PRO 610 HD2 -0.03 0.03 0.19 -0.04 3.68 3.83 2ziuA1 PRO 610 HD3 -0.02 0.11 0.15 -0.04 3.65 3.85 2ziuA1 LEU 611 H -0.04 0.11 0.16 -0.55 8.37 8.05 2ziuA1 LEU 611 HA -0.06 0.17 0.80 -0.75 4.35 4.51 2ziuA1 LEU 611 HB2 -0.06 0.00 0.02 -0.04 1.64 1.56 2ziuA1 LEU 611 HB3 -0.07 -0.07 0.07 -0.04 1.64 1.53 2ziuA1 LEU 611 HG -0.08 0.03 -0.05 -0.04 1.64 1.50 2ziuA1 LEU 611 HD13 -0.10 0.01 0.02 -0.04 0.93 0.81 2ziuA1 LEU 611 HD23 -0.11 0.03 -0.03 -0.04 0.89 0.74 2ziuA1 SER 612 H -0.05 0.10 0.04 -0.55 8.46 8.01 2ziuA1 SER 612 HA -0.03 0.23 0.65 -0.75 4.49 4.59 2ziuA1 SER 612 HB2 -0.03 0.01 0.04 -0.04 3.95 3.92 2ziuA1 SER 612 HB3 -0.02 0.01 0.05 -0.04 3.93 3.92