============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 5 0.900 82.836 -2.736 74.120 -99.200 -91.000 TYR 27 0.840 108.433 -13.195 47.756 -99.200 -91.000 PHE 44 1.000 110.433 2.208 40.529 -99.200 -91.000 PHE 56 1.000 100.566 -11.462 47.072 -99.200 -91.000 TRP 61 1.040 93.583 -4.991 58.360 -99.200 -91.000 TRP6 61 1.020 92.748 -3.372 56.848 -99.200 -91.000 PHE 67 1.000 82.412 -3.455 61.756 -99.200 -91.000 PHE 68 1.000 86.981 -6.189 52.693 -99.200 -91.000 TRP 84 1.040 95.242 -0.588 43.900 -99.200 -91.000 TRP6 84 1.020 97.522 -0.344 43.353 -99.200 -91.000 HIS 92 0.900 106.630 5.046 53.233 -99.200 -91.000 TYR 94 0.840 100.736 3.338 62.765 -99.200 -91.000 HIS 99 0.900 107.444 0.904 64.659 -99.200 -91.000 PHE 106 1.000 111.714 0.313 60.902 -99.200 -91.000 HIS 112 0.900 116.180 0.975 61.383 -99.200 -91.000 TYR 115 0.840 113.700 11.858 52.212 -99.200 -91.000 HIS 121 0.900 121.854 4.494 45.499 -99.200 -91.000 PHE 126 1.000 110.579 6.148 44.629 -99.200 -91.000 PHE 145 1.000 97.728 8.481 62.217 -99.200 -91.000 PHE 150 1.000 97.799 2.149 60.404 -99.200 -91.000 PHE 155 1.000 88.197 -1.750 59.627 -99.200 -91.000 PHE 159 1.000 84.317 -1.624 55.454 -99.200 -91.000 TYR 186 0.840 91.803 7.108 70.663 -99.200 -91.000 TYR 191 0.840 95.872 11.803 71.539 -99.200 -91.000 PHE 198 1.000 86.376 13.423 63.351 -99.200 -91.000 TYR 218 0.840 107.933 6.772 39.026 -99.200 -91.000 TYR 220 0.840 99.611 2.587 32.271 -99.200 -91.000 TYR 221 0.840 107.354 7.111 32.153 -99.200 -91.000 HIS 223 0.900 103.628 -3.256 33.636 -99.200 -91.000 TYR 230 0.840 103.943 -11.044 36.569 -99.200 -91.000 HIS 239 0.900 97.528 -3.015 33.841 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zh7A1 ALA 318 HA 0.01 0.00 0.12 -0.75 4.34 3.72 1zh7A1 ALA 318 HB3 0.02 -0.00 0.05 -0.04 1.41 1.43 1zh7A1 SER 319 H 0.02 0.17 0.08 -0.55 8.46 8.19 1zh7A1 SER 319 HA 0.02 -0.04 0.27 -0.75 4.49 3.99 1zh7A1 SER 319 HB2 -0.01 0.18 -0.33 -0.04 3.95 3.74 1zh7A1 SER 319 HB3 -0.02 0.00 0.27 -0.04 3.93 4.14 1zh7A1 ILE 320 H 0.06 0.14 -0.13 -0.55 8.25 7.78 1zh7A1 ILE 320 HA 0.21 0.23 0.85 -0.75 4.18 4.70 1zh7A1 ILE 320 HB 0.04 -0.01 0.01 -0.04 1.89 1.89 1zh7A1 ILE 320 HG12 0.28 0.09 -0.23 -0.04 1.49 1.59 1zh7A1 ILE 320 HG13 0.10 0.10 -0.59 -0.04 1.21 0.77 1zh7A1 ILE 320 HG23 0.00 -0.01 -0.19 -0.04 0.93 0.69 1zh7A1 ILE 320 HD13 0.07 -0.02 -0.08 -0.04 0.88 0.82 1zh7A1 PRO 321 HA 0.09 0.02 0.41 -0.51 4.44 4.46 1zh7A1 PRO 321 HB2 0.05 -0.10 0.03 -0.04 2.28 2.22 1zh7A1 PRO 321 HB3 0.06 0.10 0.10 -0.04 2.02 2.24 1zh7A1 PRO 321 HG2 0.04 -0.11 0.09 -0.04 2.03 2.01 1zh7A1 PRO 321 HG3 0.10 0.20 0.11 -0.04 2.03 2.41 1zh7A1 PRO 321 HD2 0.23 0.16 0.21 -0.04 3.68 4.24 1zh7A1 PRO 321 HD3 0.14 0.23 0.01 -0.04 3.65 3.98 1zh7A1 HIS 322 H 0.22 0.18 0.18 -0.55 8.41 8.44 1zh7A1 HIS 322 HA -0.00 0.12 0.36 -0.75 4.63 4.35 1zh7A1 HIS 322 HB2 0.00 -0.02 0.17 -0.04 3.26 3.38 1zh7A1 HIS 322 HB3 0.00 0.04 -0.06 -0.04 3.20 3.14 1zh7A1 HIS 322 HD2 -0.00 0.01 -0.01 -0.04 6.97 6.92 1zh7A1 HIS 322 HE1 0.00 0.03 0.02 -0.04 7.75 7.76 1zh7A1 LEU 323 H 0.09 0.10 -0.19 -0.55 8.37 7.82 1zh7A1 LEU 323 HA 0.05 0.06 0.35 -0.75 4.35 4.05 1zh7A1 LEU 323 HB2 0.05 0.02 0.07 -0.04 1.64 1.74 1zh7A1 LEU 323 HB3 0.01 0.01 0.01 -0.04 1.64 1.63 1zh7A1 LEU 323 HG 0.03 -0.04 -0.06 -0.04 1.64 1.52 1zh7A1 LEU 323 HD13 0.28 0.01 -0.02 -0.04 0.93 1.15 1zh7A1 LEU 323 HD23 -0.02 0.04 -0.22 -0.04 0.89 0.65 1zh7A1 ILE 324 H -0.02 0.30 -0.18 -0.55 8.25 7.79 1zh7A1 ILE 324 HA -0.11 0.03 0.41 -0.75 4.18 3.75 1zh7A1 ILE 324 HB -0.08 0.15 0.01 -0.04 1.89 1.93 1zh7A1 ILE 324 HG12 -0.10 -0.00 -0.04 -0.04 1.49 1.31 1zh7A1 ILE 324 HG13 -0.04 -0.10 0.00 -0.04 1.21 1.03 1zh7A1 ILE 324 HG23 -0.21 0.00 -0.09 -0.04 0.93 0.59 1zh7A1 ILE 324 HD13 -0.12 0.01 -0.14 -0.04 0.88 0.59 1zh7A1 LEU 325 H -0.06 0.38 -0.23 -0.55 8.37 7.92 1zh7A1 LEU 325 HA -0.07 0.04 0.41 -0.75 4.35 3.97 1zh7A1 LEU 325 HB2 -0.14 0.13 0.10 -0.04 1.64 1.69 1zh7A1 LEU 325 HB3 -0.10 -0.01 -0.00 -0.04 1.64 1.48 1zh7A1 LEU 325 HG -0.06 0.04 -0.15 -0.04 1.64 1.43 1zh7A1 LEU 325 HD13 -0.16 -0.01 -0.02 -0.04 0.93 0.70 1zh7A1 LEU 325 HD23 -0.04 -0.01 -0.04 -0.04 0.89 0.76 1zh7A1 GLU 326 H -0.07 0.44 -0.22 -0.55 8.60 8.21 1zh7A1 GLU 326 HA -0.07 0.06 0.49 -0.75 4.29 4.02 1zh7A1 GLU 326 HB2 -0.09 0.17 0.17 -0.04 2.09 2.30 1zh7A1 GLU 326 HB3 -0.14 -0.05 0.02 -0.04 1.99 1.78 1zh7A1 GLU 326 HG2 -0.04 0.15 0.02 -0.04 2.34 2.43 1zh7A1 GLU 326 HG3 -0.02 -0.05 -0.02 -0.04 2.34 2.20 1zh7A1 LEU 327 H -0.12 0.42 -0.13 -0.55 8.37 8.00 1zh7A1 LEU 327 HA -0.12 -0.01 0.49 -0.75 4.35 3.96 1zh7A1 LEU 327 HB2 -0.16 0.13 0.11 -0.04 1.64 1.68 1zh7A1 LEU 327 HB3 -0.22 -0.04 0.01 -0.04 1.64 1.34 1zh7A1 LEU 327 HG -0.23 0.29 0.03 -0.04 1.64 1.69 1zh7A1 LEU 327 HD13 -0.29 -0.03 -0.13 -0.04 0.93 0.44 1zh7A1 LEU 327 HD23 -1.06 -0.02 -0.02 -0.04 0.89 -0.26 1zh7A1 LEU 328 H -0.06 0.34 -0.41 -0.55 8.37 7.70 1zh7A1 LEU 328 HA 0.00 0.05 0.56 -0.75 4.35 4.21 1zh7A1 LEU 328 HB2 -0.04 0.15 0.14 -0.04 1.64 1.85 1zh7A1 LEU 328 HB3 -0.01 -0.03 0.02 -0.04 1.64 1.58 1zh7A1 LEU 328 HG -0.08 0.10 -0.02 -0.04 1.64 1.60 1zh7A1 LEU 328 HD13 -0.06 -0.03 -0.08 -0.04 0.93 0.71 1zh7A1 LEU 328 HD23 -0.05 -0.03 -0.09 -0.04 0.89 0.68 1zh7A1 LYS 329 H -0.01 0.29 -0.25 -0.55 8.42 7.89 1zh7A1 LYS 329 HA 0.02 0.07 0.49 -0.75 4.32 4.15 1zh7A1 LYS 329 HB2 -0.02 0.12 0.15 -0.04 1.87 2.09 1zh7A1 LYS 329 HB3 0.00 -0.03 0.08 -0.04 1.79 1.80 1zh7A1 LYS 329 HG2 -0.01 -0.04 0.03 -0.04 1.46 1.41 1zh7A1 LYS 329 HG3 -0.03 0.24 0.11 -0.04 1.46 1.74 1zh7A1 LYS 329 HD2 -0.01 -0.02 0.02 -0.04 1.69 1.64 1zh7A1 LYS 329 HD3 -0.03 -0.05 -0.01 -0.04 1.68 1.56 1zh7A1 LYS 329 HE2 -0.05 -0.02 -0.05 -0.04 2.99 2.83 1zh7A1 LYS 329 HE3 -0.04 0.05 0.06 -0.04 2.99 3.02 1zh7A1 CYS 330 H 0.08 0.13 -0.47 -0.55 8.50 7.69 1zh7A1 CYS 330 HA 0.11 0.14 0.51 -0.75 4.58 4.58 1zh7A1 CYS 330 HB2 0.31 0.07 0.04 -0.04 2.97 3.35 1zh7A1 CYS 330 HB3 0.16 0.03 0.04 -0.04 2.97 3.16 1zh7A1 GLU 331 H 0.13 0.20 -0.49 -0.55 8.60 7.89 1zh7A1 GLU 331 HA 0.19 -0.00 0.41 -0.75 4.29 4.13 1zh7A1 GLU 331 HB2 0.07 0.20 0.12 -0.04 2.09 2.43 1zh7A1 GLU 331 HB3 0.06 0.05 0.03 -0.04 1.99 2.10 1zh7A1 GLU 331 HG2 0.06 0.07 0.09 -0.04 2.34 2.52 1zh7A1 GLU 331 HG3 0.02 -0.09 0.05 -0.04 2.34 2.28 1zh7A1 PRO 332 HA 0.11 0.14 0.49 -0.51 4.44 4.67 1zh7A1 PRO 332 HB2 0.09 -0.07 -0.04 -0.04 2.28 2.23 1zh7A1 PRO 332 HB3 0.14 0.09 0.05 -0.04 2.02 2.26 1zh7A1 PRO 332 HG2 0.07 -0.06 -0.09 -0.04 2.03 1.91 1zh7A1 PRO 332 HG3 0.08 0.03 -0.00 -0.04 2.03 2.10 1zh7A1 PRO 332 HD2 0.02 0.03 0.20 -0.04 3.68 3.89 1zh7A1 PRO 332 HD3 0.15 0.20 0.17 -0.04 3.65 4.13 1zh7A1 ASP 333 H 0.07 0.14 0.03 -0.55 8.40 8.10 1zh7A1 ASP 333 HA 0.06 0.21 0.81 -0.75 4.63 4.95 1zh7A1 ASP 333 HB2 0.04 -0.06 0.10 -0.04 2.71 2.75 1zh7A1 ASP 333 HB3 0.05 0.12 0.05 -0.04 2.70 2.87 1zh7A1 GLU 334 H 0.07 0.34 -0.02 -0.55 8.60 8.45 1zh7A1 GLU 334 HA 0.08 0.02 0.26 -0.75 4.29 3.89 1zh7A1 GLU 334 HB2 0.11 0.06 0.10 -0.04 2.09 2.31 1zh7A1 GLU 334 HB3 0.07 0.03 0.08 -0.04 1.99 2.13 1zh7A1 GLU 334 HG2 0.09 -0.05 -0.21 -0.04 2.34 2.14 1zh7A1 GLU 334 HG3 0.15 0.01 -0.03 -0.04 2.34 2.43 1zh7A1 PRO 335 HA 0.03 0.08 0.45 -0.51 4.44 4.49 1zh7A1 PRO 335 HB2 0.03 -0.00 0.08 -0.04 2.28 2.35 1zh7A1 PRO 335 HB3 0.02 0.05 0.07 -0.04 2.02 2.12 1zh7A1 PRO 335 HG2 0.02 0.06 0.03 -0.04 2.03 2.10 1zh7A1 PRO 335 HG3 0.01 0.07 0.05 -0.04 2.03 2.11 1zh7A1 PRO 335 HD2 0.04 0.08 -0.29 -0.04 3.68 3.47 1zh7A1 PRO 335 HD3 0.04 0.10 0.02 -0.04 3.65 3.77 1zh7A1 GLN 336 H 0.04 0.35 0.01 -0.55 8.47 8.32 1zh7A1 GLN 336 HA 0.03 0.02 0.43 -0.75 4.36 4.08 1zh7A1 GLN 336 HB2 0.03 0.01 0.16 -0.04 2.15 2.32 1zh7A1 GLN 336 HB3 0.04 0.02 0.01 -0.04 2.02 2.05 1zh7A1 GLN 336 HG2 0.03 0.03 0.05 -0.04 2.40 2.46 1zh7A1 GLN 336 HG3 0.03 -0.02 0.09 -0.04 2.39 2.45 1zh7A1 GLN 336 HE21 0.02 0.01 0.00 -0.04 6.97 6.96 1zh7A1 GLN 336 HE22 0.02 0.02 0.02 -0.04 7.69 7.72 1zh7A1 VAL 337 H 0.04 0.40 -0.53 -0.55 8.24 7.61 1zh7A1 VAL 337 HA 0.04 0.06 0.62 -0.75 4.13 4.10 1zh7A1 VAL 337 HB 0.06 0.17 0.05 -0.04 2.12 2.35 1zh7A1 VAL 337 HG13 0.06 -0.01 -0.08 -0.04 0.97 0.89 1zh7A1 VAL 337 HG23 0.07 0.02 -0.21 -0.04 0.95 0.79 1zh7A1 GLN 338 H 0.04 0.56 0.13 -0.55 8.47 8.64 1zh7A1 GLN 338 HA 0.01 0.14 0.53 -0.75 4.36 4.29 1zh7A1 GLN 338 HB2 0.02 -0.00 0.09 -0.04 2.15 2.21 1zh7A1 GLN 338 HB3 -0.02 0.29 -0.25 -0.04 2.02 2.00 1zh7A1 GLN 338 HG2 0.02 0.24 -0.09 -0.04 2.40 2.54 1zh7A1 GLN 338 HG3 0.05 0.15 0.01 -0.04 2.39 2.55 1zh7A1 GLN 338 HE21 0.06 -0.02 -0.09 -0.04 6.97 6.89 1zh7A1 GLN 338 HE22 0.03 -0.01 -0.07 -0.04 7.69 7.60 1zh7A1 ALA 339 H 0.02 0.52 -0.21 -0.55 8.40 8.18 1zh7A1 ALA 339 HA 0.01 0.04 0.45 -0.75 4.34 4.09 1zh7A1 ALA 339 HB3 0.02 0.01 0.07 -0.04 1.41 1.47 1zh7A1 LYS 340 H 0.03 0.43 -0.11 -0.55 8.42 8.21 1zh7A1 LYS 340 HA 0.03 -0.02 0.35 -0.75 4.32 3.94 1zh7A1 LYS 340 HB2 0.03 0.03 0.17 -0.04 1.87 2.06 1zh7A1 LYS 340 HB3 0.03 0.11 0.25 -0.04 1.79 2.14 1zh7A1 LYS 340 HG2 0.01 -0.00 -0.41 -0.04 1.46 1.01 1zh7A1 LYS 340 HG3 0.02 -0.04 -0.03 -0.04 1.46 1.38 1zh7A1 LYS 340 HD2 0.02 0.04 0.04 -0.04 1.69 1.75 1zh7A1 LYS 340 HD3 -0.01 -0.04 -0.04 -0.04 1.68 1.55 1zh7A1 LYS 340 HE2 0.02 0.01 0.00 -0.04 2.99 2.98 1zh7A1 LYS 340 HE3 0.03 0.00 -0.02 -0.04 2.99 2.96 1zh7A1 ILE 341 H 0.02 0.57 -0.10 -0.55 8.25 8.19 1zh7A1 ILE 341 HA 0.02 -0.03 0.34 -0.75 4.18 3.75 1zh7A1 ILE 341 HB 0.01 0.12 0.03 -0.04 1.89 2.01 1zh7A1 ILE 341 HG12 -0.03 -0.08 -0.05 -0.04 1.49 1.29 1zh7A1 ILE 341 HG13 0.01 0.16 0.05 -0.04 1.21 1.40 1zh7A1 ILE 341 HG23 0.01 -0.04 -0.22 -0.04 0.93 0.64 1zh7A1 ILE 341 HD13 0.03 -0.00 -0.17 -0.04 0.88 0.69 1zh7A1 MET 342 H 0.02 0.59 -0.16 -0.55 8.47 8.38 1zh7A1 MET 342 HA 0.02 -0.12 0.38 -0.75 4.52 4.04 1zh7A1 MET 342 HB2 0.00 0.66 0.38 -0.04 2.15 3.16 1zh7A1 MET 342 HB3 0.01 0.00 0.20 -0.04 2.03 2.20 1zh7A1 MET 342 HG2 -0.01 -0.16 0.04 -0.04 2.63 2.46 1zh7A1 MET 342 HG3 -0.01 0.06 0.00 -0.04 2.56 2.57 1zh7A1 MET 342 HE3 0.01 0.01 -0.08 -0.04 2.10 1.99 1zh7A1 ALA 343 H 0.03 0.88 -0.06 -0.55 8.40 8.71 1zh7A1 ALA 343 HA 0.01 -0.07 0.38 -0.75 4.34 3.91 1zh7A1 ALA 343 HB3 0.03 0.04 0.12 -0.04 1.41 1.56 1zh7A1 TYR 344 H 0.14 0.66 -0.00 -0.55 8.29 8.53 1zh7A1 TYR 344 HA -0.03 -0.06 0.30 -0.75 4.56 4.02 1zh7A1 TYR 344 HB2 -0.05 -0.00 0.11 -0.04 3.06 3.08 1zh7A1 TYR 344 HB3 -0.03 0.17 0.15 -0.04 2.98 3.23 1zh7A1 TYR 344 HD2 -0.06 0.02 -0.17 -0.04 7.15 6.90 1zh7A1 TYR 344 HE2 -0.07 -0.02 -0.03 -0.04 6.85 6.69 1zh7A1 LEU 345 H 0.11 0.56 -0.33 -0.55 8.37 8.16 1zh7A1 LEU 345 HA 0.05 -0.00 0.56 -0.75 4.35 4.20 1zh7A1 LEU 345 HB2 0.04 0.18 0.17 -0.04 1.64 1.98 1zh7A1 LEU 345 HB3 0.03 -0.09 0.05 -0.04 1.64 1.59 1zh7A1 LEU 345 HG 0.10 0.22 -0.04 -0.04 1.64 1.88 1zh7A1 LEU 345 HD13 0.02 -0.04 -0.02 -0.04 0.93 0.85 1zh7A1 LEU 345 HD23 0.14 -0.03 -0.08 -0.04 0.89 0.88 1zh7A1 GLN 346 H -0.00 0.59 0.15 -0.55 8.47 8.66 1zh7A1 GLN 346 HA -0.02 -0.03 0.50 -0.75 4.36 4.06 1zh7A1 GLN 346 HB2 -0.02 0.12 0.23 -0.04 2.15 2.44 1zh7A1 GLN 346 HB3 -0.02 -0.05 0.02 -0.04 2.02 1.93 1zh7A1 GLN 346 HG2 -0.01 -0.05 0.04 -0.04 2.40 2.34 1zh7A1 GLN 346 HG3 -0.00 0.07 0.06 -0.04 2.39 2.47 1zh7A1 GLN 346 HE21 -0.00 -0.04 0.00 -0.04 6.97 6.89 1zh7A1 GLN 346 HE22 -0.01 0.09 0.11 -0.04 7.69 7.85 1zh7A1 GLN 347 H -0.07 0.67 -0.05 -0.55 8.47 8.47 1zh7A1 GLN 347 HA -0.08 -0.03 0.23 -0.75 4.36 3.73 1zh7A1 GLN 347 HB2 -0.28 0.16 -0.06 -0.04 2.15 1.93 1zh7A1 GLN 347 HB3 -0.14 -0.06 0.05 -0.04 2.02 1.83 1zh7A1 GLN 347 HG2 -0.07 0.38 -0.42 -0.04 2.40 2.26 1zh7A1 GLN 347 HG3 -0.08 -0.07 -0.14 -0.04 2.39 2.07 1zh7A1 GLN 347 HE21 -0.02 -0.02 -0.04 -0.04 6.97 6.85 1zh7A1 GLN 347 HE22 -0.03 -0.01 -0.05 -0.04 7.69 7.56 1zh7A1 GLU 348 H -0.12 0.13 -1.34 -0.55 8.60 6.73 1zh7A1 GLU 348 HA -0.15 0.04 0.63 -0.75 4.29 4.06 1zh7A1 GLU 348 HB2 -0.15 0.16 0.23 -0.04 2.09 2.29 1zh7A1 GLU 348 HB3 -0.05 -0.13 0.31 -0.04 1.99 2.08 1zh7A1 GLU 348 HG2 0.01 -0.06 0.05 -0.04 2.34 2.30 1zh7A1 GLU 348 HG3 -0.04 -0.02 -0.03 -0.04 2.34 2.21 1zh7A1 GLN 349 H -0.04 0.32 0.18 -0.55 8.47 8.39 1zh7A1 GLN 349 HA -0.02 0.01 0.25 -0.75 4.36 3.85 1zh7A1 GLN 349 HB2 -0.01 0.01 0.18 -0.04 2.15 2.29 1zh7A1 GLN 349 HB3 -0.02 -0.05 0.13 -0.04 2.02 2.04 1zh7A1 GLN 349 HG2 -0.01 -0.01 -0.01 -0.04 2.40 2.32 1zh7A1 GLN 349 HG3 -0.01 -0.05 -0.00 -0.04 2.39 2.29 1zh7A1 GLN 349 HE21 -0.01 0.04 -0.04 -0.04 6.97 6.92 1zh7A1 GLN 349 HE22 -0.01 -0.06 -0.04 -0.04 7.69 7.54 1zh7A1 SER 350 H -0.03 0.33 -0.14 -0.55 8.46 8.08 1zh7A1 SER 350 HA -0.02 -0.08 0.23 -0.75 4.49 3.87 1zh7A1 SER 350 HB2 -0.03 -0.05 -0.01 -0.04 3.95 3.82 1zh7A1 SER 350 HB3 -0.05 0.05 -0.14 -0.04 3.93 3.76 1zh7A1 ASN 351 H -0.05 0.54 -0.56 -0.55 8.53 7.92 1zh7A1 ASN 351 HA -0.03 -0.05 0.47 -0.75 4.76 4.39 1zh7A1 ASN 351 HB2 -0.05 0.34 0.23 -0.04 2.88 3.35 1zh7A1 ASN 351 HB3 -0.04 -0.14 0.14 -0.04 2.79 2.72 1zh7A1 ASN 351 HD21 -0.06 -0.11 0.06 -0.04 7.03 6.88 1zh7A1 ASN 351 HD22 -0.08 0.22 0.16 -0.04 7.74 8.00 1zh7A1 ARG 352 H -0.03 0.16 0.04 -0.55 8.46 8.08 1zh7A1 ARG 352 HA -0.02 -0.00 0.58 -0.75 4.34 4.15 1zh7A1 ARG 352 HB2 -0.01 0.09 0.12 -0.04 1.90 2.06 1zh7A1 ARG 352 HB3 -0.02 -0.03 0.14 -0.04 1.80 1.85 1zh7A1 ARG 352 HG2 -0.01 -0.03 0.05 -0.04 1.67 1.64 1zh7A1 ARG 352 HG3 -0.01 -0.04 -0.04 -0.04 1.67 1.53 1zh7A1 ARG 352 HD2 -0.02 -0.01 0.03 -0.04 3.22 3.17 1zh7A1 ARG 352 HD3 -0.02 0.17 -0.08 -0.04 3.22 3.25 1zh7A1 ASN 353 H -0.02 0.51 0.24 -0.55 8.53 8.72 1zh7A1 ASN 353 HA -0.01 0.11 0.15 -0.75 4.76 4.25 1zh7A1 ASN 353 HB2 -0.01 -0.08 0.03 -0.04 2.88 2.78 1zh7A1 ASN 353 HB3 -0.01 0.15 0.13 -0.04 2.79 3.01 1zh7A1 ASN 353 HD21 -0.01 -0.07 0.07 -0.04 7.03 6.98 1zh7A1 ASN 353 HD22 -0.01 0.05 0.09 -0.04 7.74 7.83 1zh7A1 ARG 354 H -0.01 -0.14 -0.46 -0.55 8.46 7.29 1zh7A1 ARG 354 HA -0.01 0.13 0.51 -0.75 4.34 4.22 1zh7A1 ARG 354 HB2 -0.01 -0.04 0.01 -0.04 1.90 1.83 1zh7A1 ARG 354 HB3 -0.01 0.15 -0.24 -0.04 1.80 1.66 1zh7A1 ARG 354 HG2 -0.01 0.01 -0.11 -0.04 1.67 1.53 1zh7A1 ARG 354 HG3 -0.01 -0.08 -0.09 -0.04 1.67 1.45 1zh7A1 ARG 354 HD2 -0.01 0.13 -0.74 -0.04 3.22 2.56 1zh7A1 ARG 354 HD3 -0.01 -0.01 -0.15 -0.04 3.22 3.01 1zh7A1 GLN 355 H -0.01 0.00 0.02 -0.55 8.47 7.94 1zh7A1 GLN 355 HA -0.01 0.13 0.73 -0.75 4.36 4.46 1zh7A1 GLN 355 HB2 -0.01 0.04 0.04 -0.04 2.15 2.19 1zh7A1 GLN 355 HB3 -0.01 -0.01 0.06 -0.04 2.02 2.02 1zh7A1 GLN 355 HG2 -0.01 -0.08 0.20 -0.04 2.40 2.47 1zh7A1 GLN 355 HG3 -0.01 0.04 0.09 -0.04 2.39 2.46 1zh7A1 GLN 355 HE21 -0.01 0.01 0.02 -0.04 6.97 6.95 1zh7A1 GLN 355 HE22 -0.01 0.01 0.02 -0.04 7.69 7.67 1zh7A1 GLU 356 H -0.01 0.26 0.07 -0.55 8.60 8.38 1zh7A1 GLU 356 HA -0.01 0.03 0.33 -0.75 4.29 3.89 1zh7A1 GLU 356 HB2 -0.01 0.39 0.41 -0.04 2.09 2.84 1zh7A1 GLU 356 HB3 -0.01 -0.07 -0.15 -0.04 1.99 1.72 1zh7A1 GLU 356 HG2 -0.00 0.03 0.04 -0.04 2.34 2.38 1zh7A1 GLU 356 HG3 0.00 0.04 -0.02 -0.04 2.34 2.32 1zh7A1 LYS 357 H -0.00 0.26 -0.06 -0.55 8.42 8.06 1zh7A1 LYS 357 HA -0.00 0.03 0.57 -0.75 4.32 4.16 1zh7A1 LYS 357 HB2 0.00 0.15 -0.23 -0.04 1.87 1.75 1zh7A1 LYS 357 HB3 0.01 -0.00 0.08 -0.04 1.79 1.83 1zh7A1 LYS 357 HG2 0.01 -0.07 0.08 -0.04 1.46 1.43 1zh7A1 LYS 357 HG3 0.01 0.11 0.02 -0.04 1.46 1.55 1zh7A1 LYS 357 HD2 0.02 0.01 -0.08 -0.04 1.69 1.61 1zh7A1 LYS 357 HD3 0.01 0.03 -0.09 -0.04 1.68 1.59 1zh7A1 LYS 357 HE2 0.00 0.19 -1.44 -0.04 2.99 1.70 1zh7A1 LYS 357 HE3 0.01 -0.43 -0.11 -0.04 2.99 2.42 1zh7A1 LEU 358 H -0.00 0.16 0.09 -0.55 8.37 8.07 1zh7A1 LEU 358 HA -0.00 0.25 0.95 -0.75 4.35 4.80 1zh7A1 LEU 358 HB2 -0.00 -0.01 0.01 -0.04 1.64 1.60 1zh7A1 LEU 358 HB3 -0.00 -0.00 0.10 -0.04 1.64 1.69 1zh7A1 LEU 358 HG -0.01 0.04 -0.11 -0.04 1.64 1.52 1zh7A1 LEU 358 HD13 -0.01 0.01 -0.04 -0.04 0.93 0.86 1zh7A1 LEU 358 HD23 -0.00 -0.01 0.09 -0.04 0.89 0.93 1zh7A1 SER 359 H 0.01 0.01 -0.08 -0.55 8.46 7.85 1zh7A1 SER 359 HA 0.00 0.07 0.33 -0.75 4.49 4.14 1zh7A1 SER 359 HB2 0.02 -0.01 0.13 -0.04 3.95 4.05 1zh7A1 SER 359 HB3 0.02 0.05 0.11 -0.04 3.93 4.06 1zh7A1 ALA 360 H 0.03 0.13 0.16 -0.55 8.40 8.18 1zh7A1 ALA 360 HA 0.04 0.16 0.44 -0.75 4.34 4.22 1zh7A1 ALA 360 HB3 0.10 0.03 0.22 -0.04 1.41 1.71 1zh7A1 PHE 361 H 0.14 0.26 0.15 -0.55 8.34 8.33 1zh7A1 PHE 361 HA -0.24 0.01 0.40 -0.75 4.62 4.04 1zh7A1 PHE 361 HB2 -0.18 0.02 0.20 -0.04 3.15 3.15 1zh7A1 PHE 361 HB3 -0.08 -0.00 0.09 -0.04 3.06 3.03 1zh7A1 PHE 361 HD2 -0.45 0.04 0.02 -0.04 7.28 6.84 1zh7A1 PHE 361 HE2 -0.05 0.09 -0.04 -0.04 7.38 7.34 1zh7A1 PHE 361 HZ 0.01 0.01 -0.08 -0.04 7.32 7.22 1zh7A1 GLY 362 H 0.06 0.07 -0.45 -0.55 8.43 7.57 1zh7A1 GLY 362 HA2 -0.31 -0.00 0.37 -0.51 4.01 3.55 1zh7A1 GLY 362 HA3 -0.07 0.10 0.20 -0.51 4.01 3.73 1zh7A1 LEU 363 H -0.06 1.20 -0.04 -0.55 8.37 8.92 1zh7A1 LEU 363 HA -0.03 0.02 0.45 -0.75 4.35 4.04 1zh7A1 LEU 363 HB2 -0.01 0.28 0.21 -0.04 1.64 2.08 1zh7A1 LEU 363 HB3 -0.02 -0.09 0.02 -0.04 1.64 1.51 1zh7A1 LEU 363 HG 0.00 0.08 0.06 -0.04 1.64 1.74 1zh7A1 LEU 363 HD13 0.01 -0.02 -0.06 -0.04 0.93 0.82 1zh7A1 LEU 363 HD23 0.00 -0.03 0.09 -0.04 0.89 0.91 1zh7A1 LEU 364 H -0.16 0.41 -0.20 -0.55 8.37 7.88 1zh7A1 LEU 364 HA -0.05 -0.01 0.43 -0.75 4.35 3.97 1zh7A1 LEU 364 HB2 -0.33 0.24 0.22 -0.04 1.64 1.73 1zh7A1 LEU 364 HB3 -0.07 -0.06 0.00 -0.04 1.64 1.48 1zh7A1 LEU 364 HG -0.05 0.00 -0.05 -0.04 1.64 1.50 1zh7A1 LEU 364 HD13 0.02 -0.01 0.00 -0.04 0.93 0.90 1zh7A1 LEU 364 HD23 0.05 -0.01 -0.04 -0.04 0.89 0.84 1zh7A1 CYS 365 H -0.41 0.44 -0.04 -0.55 8.50 7.95 1zh7A1 CYS 365 HA -0.13 -0.02 0.30 -0.75 4.58 3.97 1zh7A1 CYS 365 HB2 -0.25 0.21 0.12 -0.04 2.97 3.02 1zh7A1 CYS 365 HB3 -0.14 -0.07 -0.05 -0.04 2.97 2.66 1zh7A1 LYS 366 H -0.10 0.49 -0.43 -0.55 8.42 7.82 1zh7A1 LYS 366 HA -0.01 -0.02 0.38 -0.75 4.32 3.91 1zh7A1 LYS 366 HB2 -0.02 0.16 0.22 -0.04 1.87 2.19 1zh7A1 LYS 366 HB3 0.02 0.05 0.10 -0.04 1.79 1.92 1zh7A1 LYS 366 HG2 0.07 0.03 0.05 -0.04 1.46 1.57 1zh7A1 LYS 366 HG3 0.11 -0.05 0.03 -0.04 1.46 1.51 1zh7A1 LYS 366 HD2 0.03 -0.09 0.05 -0.04 1.69 1.64 1zh7A1 LYS 366 HD3 0.01 0.06 0.04 -0.04 1.68 1.76 1zh7A1 LYS 366 HE2 0.07 0.04 0.04 -0.04 2.99 3.09 1zh7A1 LYS 366 HE3 0.13 -0.02 0.06 -0.04 2.99 3.12 1zh7A1 MET 367 H -0.02 0.53 0.00 -0.55 8.47 8.44 1zh7A1 MET 367 HA -0.00 0.04 0.50 -0.75 4.52 4.30 1zh7A1 MET 367 HB2 0.01 -0.11 0.03 -0.04 2.15 2.04 1zh7A1 MET 367 HB3 0.01 0.03 0.09 -0.04 2.03 2.12 1zh7A1 MET 367 HG2 -0.02 0.27 0.31 -0.04 2.63 3.15 1zh7A1 MET 367 HG3 0.00 0.01 0.09 -0.04 2.56 2.63 1zh7A1 MET 367 HE3 -0.00 -0.01 -0.02 -0.04 2.10 2.03 1zh7A1 ALA 368 H -0.01 0.84 -0.08 -0.55 8.40 8.61 1zh7A1 ALA 368 HA 0.05 -0.02 0.38 -0.75 4.34 4.01 1zh7A1 ALA 368 HB3 0.04 0.03 0.04 -0.04 1.41 1.48 1zh7A1 ASP 369 H 0.01 0.70 -0.20 -0.55 8.40 8.36 1zh7A1 ASP 369 HA 0.03 -0.04 0.41 -0.75 4.63 4.27 1zh7A1 ASP 369 HB2 -0.02 -0.05 0.15 -0.04 2.71 2.75 1zh7A1 ASP 369 HB3 0.01 0.35 0.22 -0.04 2.70 3.23 1zh7A1 GLN 370 H 0.00 0.38 -0.22 -0.55 8.47 8.09 1zh7A1 GLN 370 HA 0.02 0.02 0.60 -0.75 4.36 4.25 1zh7A1 GLN 370 HB2 -0.05 0.07 0.21 -0.04 2.15 2.33 1zh7A1 GLN 370 HB3 -0.10 -0.04 0.01 -0.04 2.02 1.85 1zh7A1 GLN 370 HG2 -0.30 0.11 0.03 -0.04 2.40 2.20 1zh7A1 GLN 370 HG3 -0.34 0.03 -0.00 -0.04 2.39 2.03 1zh7A1 GLN 370 HE21 -1.02 -0.01 -0.02 -0.04 6.97 5.87 1zh7A1 GLN 370 HE22 -0.43 -0.04 -0.13 -0.04 7.69 7.05 1zh7A1 THR 371 H 0.05 0.92 0.07 -0.55 8.28 8.77 1zh7A1 THR 371 HA 0.07 0.01 0.36 -0.75 4.39 4.08 1zh7A1 THR 371 HB 0.08 0.11 0.07 -0.04 4.32 4.55 1zh7A1 THR 371 HG23 0.08 -0.02 -0.01 -0.04 1.22 1.24 1zh7A1 LEU 372 H 0.10 0.37 -0.57 -0.55 8.37 7.72 1zh7A1 LEU 372 HA 0.10 0.02 0.42 -0.75 4.35 4.13 1zh7A1 LEU 372 HB2 0.06 0.17 0.16 -0.04 1.64 1.98 1zh7A1 LEU 372 HB3 -0.10 -0.00 -0.05 -0.04 1.64 1.45 1zh7A1 LEU 372 HG 0.21 0.02 -0.03 -0.04 1.64 1.79 1zh7A1 LEU 372 HD13 -0.13 -0.03 -0.14 -0.04 0.93 0.59 1zh7A1 LEU 372 HD23 0.12 -0.02 0.02 -0.04 0.89 0.96 1zh7A1 PHE 373 H 0.32 0.40 -0.04 -0.55 8.34 8.47 1zh7A1 PHE 373 HA -0.00 0.02 0.44 -0.75 4.62 4.32 1zh7A1 PHE 373 HB2 -0.05 0.14 0.18 -0.04 3.15 3.37 1zh7A1 PHE 373 HB3 -0.02 -0.01 0.01 -0.04 3.06 3.00 1zh7A1 PHE 373 HD2 -0.06 0.19 0.12 -0.04 7.28 7.49 1zh7A1 PHE 373 HE2 -0.07 -0.05 -0.02 -0.04 7.38 7.20 1zh7A1 PHE 373 HZ -0.05 -0.06 -0.03 -0.04 7.32 7.14 1zh7A1 SER 374 H 0.17 0.41 -0.40 -0.55 8.46 8.10 1zh7A1 SER 374 HA 0.14 0.01 0.35 -0.75 4.49 4.23 1zh7A1 SER 374 HB2 0.09 0.02 0.08 -0.04 3.95 4.10 1zh7A1 SER 374 HB3 0.11 0.28 0.11 -0.04 3.93 4.39 1zh7A1 ILE 375 H 0.13 0.35 -0.19 -0.55 8.25 7.98 1zh7A1 ILE 375 HA 0.28 0.04 0.46 -0.75 4.18 4.20 1zh7A1 ILE 375 HB 0.13 0.10 0.18 -0.04 1.89 2.26 1zh7A1 ILE 375 HG12 0.07 -0.04 -0.03 -0.04 1.49 1.45 1zh7A1 ILE 375 HG13 0.11 0.29 0.06 -0.04 1.21 1.63 1zh7A1 ILE 375 HG23 0.23 -0.02 -0.12 -0.04 0.93 0.98 1zh7A1 ILE 375 HD13 0.10 -0.04 -0.19 -0.04 0.88 0.72 1zh7A1 VAL 376 H 0.07 0.59 -0.08 -0.55 8.24 8.28 1zh7A1 VAL 376 HA -0.00 -0.02 0.35 -0.75 4.13 3.70 1zh7A1 VAL 376 HB -0.01 0.14 0.17 -0.04 2.12 2.38 1zh7A1 VAL 376 HG13 -0.02 -0.02 -0.08 -0.04 0.97 0.81 1zh7A1 VAL 376 HG23 -0.09 0.06 0.04 -0.04 0.95 0.92 1zh7A1 GLU 377 H 0.11 0.61 -0.19 -0.55 8.60 8.59 1zh7A1 GLU 377 HA 0.06 -0.02 0.35 -0.75 4.29 3.93 1zh7A1 GLU 377 HB2 0.13 0.08 0.16 -0.04 2.09 2.42 1zh7A1 GLU 377 HB3 0.11 -0.01 -0.05 -0.04 1.99 2.00 1zh7A1 GLU 377 HG2 0.08 -0.03 0.01 -0.04 2.34 2.35 1zh7A1 GLU 377 HG3 0.12 0.04 0.02 -0.04 2.34 2.48 1zh7A1 TRP 378 H 0.28 0.55 -0.15 -0.55 7.97 8.11 1zh7A1 TRP 378 HA 0.02 0.07 0.36 -0.75 4.62 4.32 1zh7A1 TRP 378 HB2 0.03 -0.04 0.11 -0.04 3.23 3.29 1zh7A1 TRP 378 HB3 -0.01 0.08 0.23 -0.04 3.23 3.48 1zh7A1 TRP 378 HD1 0.04 0.31 -0.09 -0.04 7.22 7.45 1zh7A1 TRP 378 HE1 0.16 -0.02 -0.13 -0.04 10.20 10.17 1zh7A1 TRP 378 HE3 -0.12 0.14 0.05 -0.04 7.59 7.62 1zh7A1 TRP 378 HZ2 -0.16 -0.04 -0.09 -0.04 7.44 7.10 1zh7A1 TRP 378 HZ3 -0.24 -0.02 -0.06 -0.04 7.13 6.77 1zh7A1 TRP 378 HH2 -0.39 0.01 -0.21 -0.04 7.19 6.55 1zh7A1 ALA 379 H -0.15 0.64 -0.11 -0.55 8.40 8.24 1zh7A1 ALA 379 HA -1.70 -0.05 0.41 -0.75 4.34 2.25 1zh7A1 ALA 379 HB3 -0.92 -0.00 0.05 -0.04 1.41 0.50 1zh7A1 ARG 380 H -0.13 0.66 -0.11 -0.55 8.46 8.33 1zh7A1 ARG 380 HA 0.13 -0.04 0.34 -0.75 4.34 4.02 1zh7A1 ARG 380 HB2 0.03 0.00 0.08 -0.04 1.90 1.97 1zh7A1 ARG 380 HB3 0.01 0.16 0.11 -0.04 1.80 2.03 1zh7A1 ARG 380 HG2 0.02 0.00 -0.12 -0.04 1.67 1.53 1zh7A1 ARG 380 HG3 0.03 -0.03 0.05 -0.04 1.67 1.68 1zh7A1 ARG 380 HD2 0.02 -0.05 -0.02 -0.04 3.22 3.13 1zh7A1 ARG 380 HD3 0.03 0.00 -0.04 -0.04 3.22 3.17 1zh7A1 SER 381 H -0.11 0.42 -0.38 -0.55 8.46 7.84 1zh7A1 SER 381 HA -0.01 0.13 0.78 -0.75 4.49 4.63 1zh7A1 SER 381 HB2 -0.00 0.14 0.06 -0.04 3.95 4.10 1zh7A1 SER 381 HB3 0.01 -0.06 0.14 -0.04 3.93 3.98 1zh7A1 SER 382 H -0.20 0.41 -0.35 -0.55 8.46 7.77 1zh7A1 SER 382 HA -0.03 0.12 0.62 -0.75 4.49 4.44 1zh7A1 SER 382 HB2 -0.38 0.09 0.17 -0.04 3.95 3.79 1zh7A1 SER 382 HB3 0.15 -0.21 0.06 -0.04 3.93 3.89 1zh7A1 ILE 383 H -0.00 0.16 0.15 -0.55 8.25 8.01 1zh7A1 ILE 383 HA -0.12 0.15 0.26 -0.75 4.18 3.71 1zh7A1 ILE 383 HB -0.25 0.10 0.09 -0.04 1.89 1.78 1zh7A1 ILE 383 HG12 -1.40 -0.04 -0.30 -0.04 1.49 -0.29 1zh7A1 ILE 383 HG13 -0.35 0.04 -0.00 -0.04 1.21 0.85 1zh7A1 ILE 383 HG23 -0.57 -0.03 0.01 -0.04 0.93 0.30 1zh7A1 ILE 383 HD13 -0.33 -0.00 -0.04 -0.04 0.88 0.47 1zh7A1 PHE 384 H 0.18 0.03 -0.10 -0.55 8.34 7.90 1zh7A1 PHE 384 HA 0.08 0.32 1.02 -0.75 4.62 5.29 1zh7A1 PHE 384 HB2 -0.01 -0.01 0.01 -0.04 3.15 3.10 1zh7A1 PHE 384 HB3 0.03 -0.00 0.02 -0.04 3.06 3.07 1zh7A1 PHE 384 HD2 0.01 0.03 -0.04 -0.04 7.28 7.25 1zh7A1 PHE 384 HE2 -0.14 0.02 -0.05 -0.04 7.38 7.16 1zh7A1 PHE 384 HZ -0.08 -0.02 -0.04 -0.04 7.32 7.14 1zh7A1 PHE 385 H 0.53 0.04 -0.07 -0.55 8.34 8.29 1zh7A1 PHE 385 HA 0.24 -0.02 0.35 -0.75 4.62 4.44 1zh7A1 PHE 385 HB2 0.05 -0.11 0.08 -0.04 3.15 3.14 1zh7A1 PHE 385 HB3 -0.13 0.33 0.05 -0.04 3.06 3.27 1zh7A1 PHE 385 HD2 -0.42 0.12 -0.20 -0.04 7.28 6.74 1zh7A1 PHE 385 HE2 -0.26 0.00 -0.09 -0.04 7.38 6.99 1zh7A1 PHE 385 HZ -0.16 0.17 0.08 -0.04 7.32 7.37 1zh7A1 ARG 386 H 0.13 0.42 -0.42 -0.55 8.46 8.05 1zh7A1 ARG 386 HA -0.02 0.09 0.40 -0.75 4.34 4.06 1zh7A1 ARG 386 HB2 0.00 -0.07 0.10 -0.04 1.90 1.89 1zh7A1 ARG 386 HB3 0.02 0.15 -0.05 -0.04 1.80 1.88 1zh7A1 ARG 386 HG2 0.02 0.14 -0.21 -0.04 1.67 1.58 1zh7A1 ARG 386 HG3 0.02 -0.07 -0.39 -0.04 1.67 1.19 1zh7A1 ARG 386 HD2 -0.01 -0.07 -0.09 -0.04 3.22 3.01 1zh7A1 ARG 386 HD3 -0.00 -0.06 -0.08 -0.04 3.22 3.04 1zh7A1 GLU 387 H 0.04 0.33 -0.75 -0.55 8.60 7.68 1zh7A1 GLU 387 HA -0.01 0.17 0.81 -0.75 4.29 4.51 1zh7A1 GLU 387 HB2 0.09 0.13 0.06 -0.04 2.09 2.32 1zh7A1 GLU 387 HB3 0.04 -0.12 0.12 -0.04 1.99 1.99 1zh7A1 GLU 387 HG2 0.06 0.09 -0.13 -0.04 2.34 2.32 1zh7A1 GLU 387 HG3 0.08 -0.07 0.02 -0.04 2.34 2.32 1zh7A1 LEU 388 H -0.15 0.47 -0.10 -0.55 8.37 8.04 1zh7A1 LEU 388 HA -0.08 0.01 0.74 -0.75 4.35 4.27 1zh7A1 LEU 388 HB2 -0.49 0.26 0.14 -0.04 1.64 1.51 1zh7A1 LEU 388 HB3 -0.26 -0.11 0.02 -0.04 1.64 1.25 1zh7A1 LEU 388 HG -0.00 0.06 -0.06 -0.04 1.64 1.60 1zh7A1 LEU 388 HD13 -0.22 -0.01 -0.07 -0.04 0.93 0.59 1zh7A1 LEU 388 HD23 -0.02 -0.03 0.03 -0.04 0.89 0.83 1zh7A1 LYS 389 H -0.09 0.00 0.19 -0.55 8.42 7.97 1zh7A1 LYS 389 HA -0.07 0.21 0.50 -0.75 4.32 4.20 1zh7A1 LYS 389 HB2 -0.06 -0.17 0.14 -0.04 1.87 1.74 1zh7A1 LYS 389 HB3 -0.05 -0.01 0.16 -0.04 1.79 1.85 1zh7A1 LYS 389 HG2 -0.04 0.12 0.06 -0.04 1.46 1.56 1zh7A1 LYS 389 HG3 -0.04 0.01 0.13 -0.04 1.46 1.51 1zh7A1 LYS 389 HD2 -0.03 -0.09 0.07 -0.04 1.69 1.60 1zh7A1 LYS 389 HD3 -0.03 0.03 0.06 -0.04 1.68 1.70 1zh7A1 LYS 389 HE2 -0.02 0.06 0.03 -0.04 2.99 3.02 1zh7A1 LYS 389 HE3 -0.02 -0.01 0.04 -0.04 2.99 2.96 1zh7A1 VAL 390 H -0.06 0.20 0.17 -0.55 8.24 8.00 1zh7A1 VAL 390 HA -0.10 0.15 0.36 -0.75 4.13 3.79 1zh7A1 VAL 390 HB -0.04 -0.04 0.10 -0.04 2.12 2.11 1zh7A1 VAL 390 HG13 -0.03 0.02 -0.07 -0.04 0.97 0.85 1zh7A1 VAL 390 HG23 -0.04 0.03 0.09 -0.04 0.95 0.99 1zh7A1 ASP 391 H -0.05 0.07 -0.19 -0.55 8.40 7.68 1zh7A1 ASP 391 HA -0.04 0.14 0.44 -0.75 4.63 4.42 1zh7A1 ASP 391 HB2 -0.03 0.06 0.10 -0.04 2.71 2.80 1zh7A1 ASP 391 HB3 -0.04 -0.10 0.11 -0.04 2.70 2.62 1zh7A1 ASP 392 H -0.08 0.10 -0.11 -0.55 8.40 7.76 1zh7A1 ASP 392 HA -0.05 0.09 0.50 -0.75 4.63 4.41 1zh7A1 ASP 392 HB2 -0.13 0.11 0.13 -0.04 2.71 2.79 1zh7A1 ASP 392 HB3 -0.09 0.06 0.04 -0.04 2.70 2.67 1zh7A1 GLN 393 H -0.19 0.50 -0.20 -0.55 8.47 8.03 1zh7A1 GLN 393 HA -0.38 0.03 0.34 -0.75 4.36 3.60 1zh7A1 GLN 393 HB2 -0.14 0.06 0.05 -0.04 2.15 2.08 1zh7A1 GLN 393 HB3 -0.10 -0.01 -0.03 -0.04 2.02 1.84 1zh7A1 GLN 393 HG2 -1.14 -0.00 -0.04 -0.04 2.40 1.18 1zh7A1 GLN 393 HG3 -0.36 0.15 -0.35 -0.04 2.39 1.79 1zh7A1 GLN 393 HE21 -0.14 -0.01 -0.02 -0.04 6.97 6.76 1zh7A1 GLN 393 HE22 -0.49 0.34 0.06 -0.04 7.69 7.57 1zh7A1 MET 394 H -0.05 0.50 -0.30 -0.55 8.47 8.08 1zh7A1 MET 394 HA 0.02 0.02 0.45 -0.75 4.52 4.25 1zh7A1 MET 394 HB2 -0.02 0.12 0.18 -0.04 2.15 2.39 1zh7A1 MET 394 HB3 -0.02 -0.03 0.02 -0.04 2.03 1.95 1zh7A1 MET 394 HG2 -0.02 -0.05 0.01 -0.04 2.63 2.53 1zh7A1 MET 394 HG3 -0.03 0.23 0.07 -0.04 2.56 2.79 1zh7A1 MET 394 HE3 -0.02 -0.01 -0.05 -0.04 2.10 1.97 1zh7A1 LYS 395 H -0.02 0.40 -0.12 -0.55 8.42 8.12 1zh7A1 LYS 395 HA 0.01 0.06 0.47 -0.75 4.32 4.11 1zh7A1 LYS 395 HB2 -0.02 -0.01 0.18 -0.04 1.87 1.98 1zh7A1 LYS 395 HB3 0.00 -0.01 -0.02 -0.04 1.79 1.72 1zh7A1 LYS 395 HG2 -0.00 -0.02 0.02 -0.04 1.46 1.41 1zh7A1 LYS 395 HG3 -0.02 0.13 0.02 -0.04 1.46 1.55 1zh7A1 LYS 395 HD2 -0.01 -0.06 -0.17 -0.04 1.69 1.41 1zh7A1 LYS 395 HD3 -0.00 0.05 -0.04 -0.04 1.68 1.65 1zh7A1 LYS 395 HE2 -0.00 0.03 0.03 -0.04 2.99 3.00 1zh7A1 LYS 395 HE3 -0.01 -0.03 0.00 -0.04 2.99 2.91 1zh7A1 LEU 396 H 0.01 0.64 -0.03 -0.55 8.37 8.44 1zh7A1 LEU 396 HA 0.00 0.04 0.43 -0.75 4.35 4.06 1zh7A1 LEU 396 HB2 0.16 0.04 0.13 -0.04 1.64 1.93 1zh7A1 LEU 396 HB3 -0.06 0.13 0.07 -0.04 1.64 1.74 1zh7A1 LEU 396 HG -0.05 0.02 0.06 -0.04 1.64 1.63 1zh7A1 LEU 396 HD13 -0.27 -0.02 -0.05 -0.04 0.93 0.55 1zh7A1 LEU 396 HD23 -0.05 0.02 0.07 -0.04 0.89 0.89 1zh7A1 LEU 397 H 0.09 0.52 -0.19 -0.55 8.37 8.24 1zh7A1 LEU 397 HA 0.03 0.02 0.49 -0.75 4.35 4.13 1zh7A1 LEU 397 HB2 0.06 0.14 0.17 -0.04 1.64 1.97 1zh7A1 LEU 397 HB3 0.03 -0.08 -0.00 -0.04 1.64 1.55 1zh7A1 LEU 397 HG 0.06 0.06 0.03 -0.04 1.64 1.74 1zh7A1 LEU 397 HD13 0.04 -0.01 -0.04 -0.04 0.93 0.87 1zh7A1 LEU 397 HD23 -0.11 -0.02 -0.04 -0.04 0.89 0.68 1zh7A1 GLN 398 H 0.06 0.60 -0.14 -0.55 8.47 8.44 1zh7A1 GLN 398 HA 0.15 -0.02 0.50 -0.75 4.36 4.23 1zh7A1 GLN 398 HB2 0.05 0.13 0.19 -0.04 2.15 2.48 1zh7A1 GLN 398 HB3 0.07 -0.06 0.09 -0.04 2.02 2.07 1zh7A1 GLN 398 HG2 -0.07 -0.07 0.08 -0.04 2.40 2.29 1zh7A1 GLN 398 HG3 -0.02 0.10 0.13 -0.04 2.39 2.57 1zh7A1 GLN 398 HE21 -0.03 -0.01 -0.01 -0.04 6.97 6.88 1zh7A1 GLN 398 HE22 -0.07 -0.04 -0.02 -0.04 7.69 7.52 1zh7A1 ASN 399 H 0.09 0.36 -0.41 -0.55 8.53 8.03 1zh7A1 ASN 399 HA 0.09 0.07 0.59 -0.75 4.76 4.76 1zh7A1 ASN 399 HB2 0.04 -0.01 0.08 -0.04 2.88 2.95 1zh7A1 ASN 399 HB3 0.03 0.16 0.13 -0.04 2.79 3.07 1zh7A1 ASN 399 HD21 0.01 -0.09 -0.08 -0.04 7.03 6.83 1zh7A1 ASN 399 HD22 0.01 0.10 -0.06 -0.04 7.74 7.74 1zh7A1 CYS 400 H 0.10 0.30 -0.22 -0.55 8.50 8.14 1zh7A1 CYS 400 HA -0.09 0.15 0.97 -0.75 4.58 4.86 1zh7A1 CYS 400 HB2 -0.02 -0.17 0.06 -0.04 2.97 2.81 1zh7A1 CYS 400 HB3 -0.01 0.17 -0.08 -0.04 2.97 3.01 1zh7A1 TRP 401 H 0.31 0.42 -0.00 -0.55 7.97 8.15 1zh7A1 TRP 401 HA -0.01 0.03 0.36 -0.75 4.62 4.24 1zh7A1 TRP 401 HB2 -0.04 -0.06 0.05 -0.04 3.23 3.13 1zh7A1 TRP 401 HB3 -0.04 0.27 0.16 -0.04 3.23 3.58 1zh7A1 TRP 401 HD1 -0.03 0.29 0.08 -0.04 7.22 7.52 1zh7A1 TRP 401 HE1 -0.03 0.10 -0.03 -0.04 10.20 10.21 1zh7A1 TRP 401 HE3 -0.03 -0.04 -0.26 -0.04 7.59 7.22 1zh7A1 TRP 401 HZ2 -0.03 0.05 -0.07 -0.04 7.44 7.35 1zh7A1 TRP 401 HZ3 -0.02 -0.06 -0.08 -0.04 7.13 6.93 1zh7A1 TRP 401 HH2 -0.02 -0.02 -0.04 -0.04 7.19 7.06 1zh7A1 SER 402 H -1.57 0.20 -0.20 -0.55 8.46 6.34 1zh7A1 SER 402 HA -0.56 0.08 0.53 -0.75 4.49 3.79 1zh7A1 SER 402 HB2 -0.66 -0.02 0.10 -0.04 3.95 3.33 1zh7A1 SER 402 HB3 -2.17 0.05 0.06 -0.04 3.93 1.83 1zh7A1 GLU 403 H -0.29 0.21 -0.27 -0.55 8.60 7.70 1zh7A1 GLU 403 HA -0.11 0.06 0.45 -0.75 4.29 3.94 1zh7A1 GLU 403 HB2 -0.09 0.14 0.15 -0.04 2.09 2.25 1zh7A1 GLU 403 HB3 -0.05 -0.01 -0.07 -0.04 1.99 1.82 1zh7A1 GLU 403 HG2 -0.08 -0.01 -0.16 -0.04 2.34 2.06 1zh7A1 GLU 403 HG3 -0.14 -0.03 0.02 -0.04 2.34 2.15 1zh7A1 LEU 404 H -0.04 0.67 -0.08 -0.55 8.37 8.36 1zh7A1 LEU 404 HA 0.00 0.02 0.41 -0.75 4.35 4.03 1zh7A1 LEU 404 HB2 0.07 0.12 0.09 -0.04 1.64 1.88 1zh7A1 LEU 404 HB3 0.05 -0.04 -0.03 -0.04 1.64 1.58 1zh7A1 LEU 404 HG 0.03 0.08 -0.06 -0.04 1.64 1.65 1zh7A1 LEU 404 HD13 0.18 -0.00 -0.08 -0.04 0.93 0.98 1zh7A1 LEU 404 HD23 -0.04 0.01 0.00 -0.04 0.89 0.82 1zh7A1 LEU 405 H 0.00 0.39 -0.31 -0.55 8.37 7.90 1zh7A1 LEU 405 HA 0.08 0.02 0.34 -0.75 4.35 4.04 1zh7A1 LEU 405 HB2 -0.01 0.12 0.21 -0.04 1.64 1.92 1zh7A1 LEU 405 HB3 0.05 -0.06 -0.06 -0.04 1.64 1.53 1zh7A1 LEU 405 HG 0.16 0.09 0.02 -0.04 1.64 1.87 1zh7A1 LEU 405 HD13 0.21 -0.02 -0.05 -0.04 0.93 1.04 1zh7A1 LEU 405 HD23 0.10 0.01 -0.03 -0.04 0.89 0.93 1zh7A1 ILE 406 H -0.02 0.59 -0.07 -0.55 8.25 8.20 1zh7A1 ILE 406 HA 0.08 -0.03 0.37 -0.75 4.18 3.84 1zh7A1 ILE 406 HB -0.02 0.11 0.18 -0.04 1.89 2.12 1zh7A1 ILE 406 HG12 -0.01 -0.07 0.00 -0.04 1.49 1.36 1zh7A1 ILE 406 HG13 -0.06 0.11 0.10 -0.04 1.21 1.33 1zh7A1 ILE 406 HG23 0.03 -0.01 -0.10 -0.04 0.93 0.81 1zh7A1 ILE 406 HD13 -0.06 -0.01 -0.11 -0.04 0.88 0.66 1zh7A1 LEU 407 H 0.05 0.72 -0.18 -0.55 8.37 8.42 1zh7A1 LEU 407 HA 0.13 -0.02 0.35 -0.75 4.35 4.06 1zh7A1 LEU 407 HB2 0.07 0.06 0.07 -0.04 1.64 1.79 1zh7A1 LEU 407 HB3 0.10 0.07 0.12 -0.04 1.64 1.89 1zh7A1 LEU 407 HG 0.44 -0.00 -0.20 -0.04 1.64 1.84 1zh7A1 LEU 407 HD13 0.26 -0.02 -0.01 -0.04 0.93 1.12 1zh7A1 LEU 407 HD23 0.01 -0.01 -0.16 -0.04 0.89 0.69 1zh7A1 ASP 408 H 0.13 0.67 -0.15 -0.55 8.40 8.50 1zh7A1 ASP 408 HA 0.19 -0.03 0.36 -0.75 4.63 4.41 1zh7A1 ASP 408 HB2 0.10 0.24 0.18 -0.04 2.71 3.19 1zh7A1 ASP 408 HB3 0.11 0.07 0.18 -0.04 2.70 3.02 1zh7A1 HIS 409 H 0.18 0.70 -0.04 -0.55 8.41 8.71 1zh7A1 HIS 409 HA 0.04 -0.03 0.32 -0.75 4.63 4.20 1zh7A1 HIS 409 HB2 0.04 -0.06 0.06 -0.04 3.26 3.27 1zh7A1 HIS 409 HB3 0.04 0.15 0.13 -0.04 3.20 3.47 1zh7A1 HIS 409 HD2 0.02 0.04 -0.14 -0.04 6.97 6.84 1zh7A1 HIS 409 HE1 0.03 -0.07 -0.09 -0.04 7.75 7.57 1zh7A1 ILE 410 H 0.10 0.55 -0.33 -0.55 8.25 8.01 1zh7A1 ILE 410 HA -0.16 -0.02 0.44 -0.75 4.18 3.69 1zh7A1 ILE 410 HB 0.10 0.13 0.19 -0.04 1.89 2.27 1zh7A1 ILE 410 HG12 0.07 -0.04 0.02 -0.04 1.49 1.49 1zh7A1 ILE 410 HG13 0.13 0.33 0.10 -0.04 1.21 1.74 1zh7A1 ILE 410 HG23 0.04 -0.03 -0.19 -0.04 0.93 0.71 1zh7A1 ILE 410 HD13 0.04 -0.05 -0.06 -0.04 0.88 0.77 1zh7A1 TYR 411 H 0.09 0.79 0.10 -0.55 8.29 8.72 1zh7A1 TYR 411 HA -0.11 0.01 0.36 -0.75 4.56 4.07 1zh7A1 TYR 411 HB2 -0.39 -0.02 0.06 -0.04 3.06 2.66 1zh7A1 TYR 411 HB3 -0.87 0.09 0.08 -0.04 2.98 2.25 1zh7A1 TYR 411 HD2 -0.82 0.03 -0.14 -0.04 7.15 6.18 1zh7A1 TYR 411 HE2 -0.43 0.00 -0.23 -0.04 6.85 6.15 1zh7A1 ARG 412 H -0.17 0.51 -0.41 -0.55 8.46 7.84 1zh7A1 ARG 412 HA -0.41 0.02 0.43 -0.75 4.34 3.62 1zh7A1 ARG 412 HB2 -0.03 -0.02 -0.00 -0.04 1.90 1.81 1zh7A1 ARG 412 HB3 -0.08 0.16 0.08 -0.04 1.80 1.92 1zh7A1 ARG 412 HG2 0.19 0.08 -0.23 -0.04 1.67 1.66 1zh7A1 ARG 412 HG3 0.21 -0.07 -0.06 -0.04 1.67 1.71 1zh7A1 ARG 412 HD2 0.17 0.12 -0.45 -0.04 3.22 3.02 1zh7A1 ARG 412 HD3 0.15 -0.05 -0.15 -0.04 3.22 3.13 1zh7A1 GLN 413 H -0.25 0.44 -0.10 -0.55 8.47 8.02 1zh7A1 GLN 413 HA -0.11 0.00 0.53 -0.75 4.36 4.02 1zh7A1 GLN 413 HB2 -0.16 0.11 0.15 -0.04 2.15 2.20 1zh7A1 GLN 413 HB3 -0.09 -0.04 0.07 -0.04 2.02 1.93 1zh7A1 GLN 413 HG2 -0.54 0.41 0.15 -0.04 2.40 2.38 1zh7A1 GLN 413 HG3 -0.24 -0.08 0.03 -0.04 2.39 2.06 1zh7A1 GLN 413 HE21 0.07 0.30 -0.00 -0.04 6.97 7.30 1zh7A1 GLN 413 HE22 -0.33 0.18 0.04 -0.04 7.69 7.53 1zh7A1 VAL 414 H -0.22 0.50 -0.08 -0.55 8.24 7.89 1zh7A1 VAL 414 HA -0.12 0.05 0.41 -0.75 4.13 3.71 1zh7A1 VAL 414 HB -0.19 0.03 0.08 -0.04 2.12 2.01 1zh7A1 VAL 414 HG13 -0.01 -0.01 -0.18 -0.04 0.97 0.73 1zh7A1 VAL 414 HG23 0.03 0.02 -0.01 -0.04 0.95 0.95 1zh7A1 ALA 415 H -0.63 0.33 -0.29 -0.55 8.40 7.27 1zh7A1 ALA 415 HA -0.39 0.15 0.76 -0.75 4.34 4.11 1zh7A1 ALA 415 HB3 -1.03 -0.03 0.05 -0.04 1.41 0.36 1zh7A1 HIS 416 H -0.41 0.43 -0.07 -0.55 8.41 7.81 1zh7A1 HIS 416 HA -0.35 0.18 0.84 -0.75 4.63 4.55 1zh7A1 HIS 416 HB2 -0.75 0.04 0.03 -0.04 3.26 2.54 1zh7A1 HIS 416 HB3 -1.11 -0.09 0.15 -0.04 3.20 2.11 1zh7A1 HIS 416 HD2 -0.08 -0.03 -0.07 -0.04 6.97 6.75 1zh7A1 HIS 416 HE1 -0.11 -0.04 -0.04 -0.04 7.75 7.52 1zh7A1 GLY 417 H -0.18 0.46 0.03 -0.55 8.43 8.19 1zh7A1 GLY 417 HA2 -0.04 0.02 0.80 -0.51 4.01 4.28 1zh7A1 GLY 417 HA3 -0.05 0.00 0.48 -0.51 4.01 3.93 1zh7A1 LYS 418 H 0.03 0.26 0.21 -0.55 8.42 8.37 1zh7A1 LYS 418 HA -0.01 0.22 0.57 -0.75 4.32 4.34 1zh7A1 LYS 418 HB2 0.05 -0.09 -0.10 -0.04 1.87 1.68 1zh7A1 LYS 418 HB3 0.01 -0.20 0.13 -0.04 1.79 1.70 1zh7A1 LYS 418 HG2 -0.01 0.17 0.03 -0.04 1.46 1.60 1zh7A1 LYS 418 HG3 0.01 0.05 -0.40 -0.04 1.46 1.08 1zh7A1 LYS 418 HD2 0.01 -0.04 -0.00 -0.04 1.69 1.61 1zh7A1 LYS 418 HD3 0.01 0.05 -0.05 -0.04 1.68 1.64 1zh7A1 LYS 418 HE2 0.06 0.03 -0.08 -0.04 2.99 2.95 1zh7A1 LYS 418 HE3 0.04 -0.10 -0.07 -0.04 2.99 2.82 1zh7A1 GLU 419 H -0.00 0.15 0.10 -0.55 8.60 8.30 1zh7A1 GLU 419 HA -0.02 0.09 0.32 -0.75 4.29 3.93 1zh7A1 GLU 419 HB2 -0.01 0.02 0.15 -0.04 2.09 2.21 1zh7A1 GLU 419 HB3 -0.01 0.08 0.14 -0.04 1.99 2.17 1zh7A1 GLU 419 HG2 0.02 0.02 -0.09 -0.04 2.34 2.25 1zh7A1 GLU 419 HG3 0.03 -0.17 -0.11 -0.04 2.34 2.05 1zh7A1 GLY 420 H 0.01 0.10 0.01 -0.55 8.43 8.01 1zh7A1 GLY 420 HA2 -0.02 0.31 0.92 -0.51 4.01 4.71 1zh7A1 GLY 420 HA3 -0.01 -0.02 0.42 -0.51 4.01 3.89 1zh7A1 THR 421 H 0.10 0.74 -0.23 -0.55 8.28 8.34 1zh7A1 THR 421 HA 0.14 -0.19 0.83 -0.75 4.39 4.41 1zh7A1 THR 421 HB 0.16 -0.06 -0.01 -0.04 4.32 4.36 1zh7A1 THR 421 HG23 0.08 0.02 -0.31 -0.04 1.22 0.97 1zh7A1 ILE 422 H 0.13 0.07 -0.21 -0.55 8.25 7.70 1zh7A1 ILE 422 HA 0.15 0.24 0.76 -0.75 4.18 4.57 1zh7A1 ILE 422 HB 0.09 -0.01 -0.00 -0.04 1.89 1.92 1zh7A1 ILE 422 HG12 0.07 -0.10 -0.20 -0.04 1.49 1.22 1zh7A1 ILE 422 HG13 -0.00 0.03 -0.09 -0.04 1.21 1.11 1zh7A1 ILE 422 HG23 0.19 0.01 -0.27 -0.04 0.93 0.82 1zh7A1 ILE 422 HD13 0.21 0.05 -0.16 -0.04 0.88 0.94 1zh7A1 PHE 423 H 0.18 0.24 0.05 -0.55 8.34 8.25 1zh7A1 PHE 423 HA -0.07 0.14 0.68 -0.75 4.62 4.62 1zh7A1 PHE 423 HB2 -0.08 0.03 -0.11 -0.04 3.15 2.95 1zh7A1 PHE 423 HB3 -0.07 -0.01 -0.07 -0.04 3.06 2.88 1zh7A1 PHE 423 HD2 -0.36 -0.10 -0.20 -0.04 7.28 6.57 1zh7A1 PHE 423 HE2 -0.80 -0.05 -0.08 -0.04 7.38 6.41 1zh7A1 PHE 423 HZ -0.23 -0.02 -0.01 -0.04 7.32 7.03 1zh7A1 LEU 424 H -0.24 0.72 0.17 -0.55 8.37 8.47 1zh7A1 LEU 424 HA 0.02 0.10 0.37 -0.75 4.35 4.09 1zh7A1 LEU 424 HB2 -0.15 -0.11 0.11 -0.04 1.64 1.46 1zh7A1 LEU 424 HB3 -0.04 -0.09 0.11 -0.04 1.64 1.58 1zh7A1 LEU 424 HG -0.03 0.18 -0.01 -0.04 1.64 1.74 1zh7A1 LEU 424 HD13 -0.01 -0.00 -0.04 -0.04 0.93 0.83 1zh7A1 LEU 424 HD23 0.05 -0.01 -0.10 -0.04 0.89 0.79 1zh7A1 VAL 425 H 0.01 0.14 0.11 -0.55 8.24 7.94 1zh7A1 VAL 425 HA 0.02 0.17 0.30 -0.75 4.13 3.86 1zh7A1 VAL 425 HB 0.05 0.02 0.07 -0.04 2.12 2.22 1zh7A1 VAL 425 HG13 0.01 -0.00 -0.09 -0.04 0.97 0.85 1zh7A1 VAL 425 HG23 0.04 0.02 -0.04 -0.04 0.95 0.93 1zh7A1 THR 426 H -0.10 -0.05 -0.46 -0.55 8.28 7.12 1zh7A1 THR 426 HA -0.03 0.22 0.70 -0.75 4.39 4.52 1zh7A1 THR 426 HB -0.03 0.08 0.12 -0.04 4.32 4.45 1zh7A1 THR 426 HG23 -0.01 -0.02 -0.07 -0.04 1.22 1.08 1zh7A1 GLY 427 H -0.36 0.30 -0.24 -0.55 8.43 7.58 1zh7A1 GLY 427 HA2 -0.62 0.08 0.17 -0.51 4.01 3.14 1zh7A1 GLY 427 HA3 -0.17 0.19 0.78 -0.51 4.01 4.31 1zh7A1 GLU 428 H -0.33 -0.10 -0.05 -0.55 8.60 7.58 1zh7A1 GLU 428 HA -0.02 0.18 0.72 -0.75 4.29 4.42 1zh7A1 GLU 428 HB2 -0.09 -0.12 0.05 -0.04 2.09 1.88 1zh7A1 GLU 428 HB3 -0.01 0.12 -0.04 -0.04 1.99 2.01 1zh7A1 GLU 428 HG2 -0.02 0.08 -0.13 -0.04 2.34 2.24 1zh7A1 GLU 428 HG3 -0.07 -0.06 -0.19 -0.04 2.34 1.98 1zh7A1 HIS 429 H 0.49 0.17 0.19 -0.55 8.41 8.72 1zh7A1 HIS 429 HA 0.09 0.25 0.64 -0.75 4.63 4.85 1zh7A1 HIS 429 HB2 0.09 -0.05 0.04 -0.04 3.26 3.30 1zh7A1 HIS 429 HB3 0.18 -0.03 -0.04 -0.04 3.20 3.27 1zh7A1 HIS 429 HD2 0.18 -0.01 -0.06 -0.04 6.97 7.04 1zh7A1 HIS 429 HE1 0.24 0.04 0.05 -0.04 7.75 8.03 1zh7A1 VAL 430 H 0.13 0.41 0.18 -0.55 8.24 8.41 1zh7A1 VAL 430 HA 0.07 0.21 0.82 -0.75 4.13 4.47 1zh7A1 VAL 430 HB 0.05 -0.03 0.12 -0.04 2.12 2.21 1zh7A1 VAL 430 HG13 0.03 -0.01 0.05 -0.04 0.97 1.01 1zh7A1 VAL 430 HG23 0.03 0.04 -0.34 -0.04 0.95 0.64 1zh7A1 ASP 431 H 0.09 0.18 -0.02 -0.55 8.40 8.10 1zh7A1 ASP 431 HA 0.10 0.07 0.59 -0.75 4.63 4.64 1zh7A1 ASP 431 HB2 0.04 0.03 0.03 -0.04 2.71 2.76 1zh7A1 ASP 431 HB3 0.05 -0.12 0.07 -0.04 2.70 2.65 1zh7A1 TYR 432 H 0.20 0.59 -0.01 -0.55 8.29 8.51 1zh7A1 TYR 432 HA 0.03 0.03 0.25 -0.75 4.56 4.11 1zh7A1 TYR 432 HB2 0.02 -0.08 -0.28 -0.04 3.06 2.68 1zh7A1 TYR 432 HB3 0.01 0.01 0.05 -0.04 2.98 3.01 1zh7A1 TYR 432 HD2 0.01 0.01 -0.27 -0.04 7.15 6.87 1zh7A1 TYR 432 HE2 -0.01 0.03 -0.09 -0.04 6.85 6.73 1zh7A1 SER 433 H 0.16 0.13 -0.21 -0.55 8.46 7.99 1zh7A1 SER 433 HA 0.14 0.06 0.31 -0.75 4.49 4.24 1zh7A1 SER 433 HB2 0.04 0.05 -0.02 -0.04 3.95 3.98 1zh7A1 SER 433 HB3 0.07 0.01 0.08 -0.04 3.93 4.05 1zh7A1 THR 434 H 0.01 0.15 -0.19 -0.55 8.28 7.70 1zh7A1 THR 434 HA -0.16 0.02 0.35 -0.75 4.39 3.86 1zh7A1 THR 434 HB -0.04 0.14 0.15 -0.04 4.32 4.53 1zh7A1 THR 434 HG23 -0.18 -0.01 -0.09 -0.04 1.22 0.90 1zh7A1 ILE 435 H -0.05 0.44 0.05 -0.55 8.25 8.14 1zh7A1 ILE 435 HA 0.00 -0.06 0.31 -0.75 4.18 3.68 1zh7A1 ILE 435 HB -0.16 0.14 0.09 -0.04 1.89 1.93 1zh7A1 ILE 435 HG12 0.00 0.25 0.14 -0.04 1.49 1.84 1zh7A1 ILE 435 HG13 0.00 -0.07 0.01 -0.04 1.21 1.11 1zh7A1 ILE 435 HG23 0.06 -0.03 -0.15 -0.04 0.93 0.76 1zh7A1 ILE 435 HD13 0.07 -0.03 0.01 -0.04 0.88 0.89 1zh7A1 ILE 436 H -0.08 0.46 -0.46 -0.55 8.25 7.62 1zh7A1 ILE 436 HA -0.02 -0.03 0.50 -0.75 4.18 3.88 1zh7A1 ILE 436 HB 0.04 0.16 0.06 -0.04 1.89 2.11 1zh7A1 ILE 436 HG12 -0.32 0.31 0.01 -0.04 1.49 1.45 1zh7A1 ILE 436 HG13 0.20 -0.06 -0.06 -0.04 1.21 1.24 1zh7A1 ILE 436 HG23 0.04 -0.03 0.03 -0.04 0.93 0.94 1zh7A1 ILE 436 HD13 -0.35 -0.04 -0.06 -0.04 0.88 0.39 1zh7A1 SER 437 H -0.08 1.11 0.10 -0.55 8.46 9.04 1zh7A1 SER 437 HA 0.05 0.14 0.89 -0.75 4.49 4.81 1zh7A1 SER 437 HB2 -0.18 0.03 0.12 -0.04 3.95 3.88 1zh7A1 SER 437 HB3 0.06 -0.08 0.14 -0.04 3.93 4.01 1zh7A1 HIS 438 H 0.06 0.28 -0.12 -0.55 8.41 8.08 1zh7A1 HIS 438 HA 0.04 0.21 0.90 -0.75 4.63 5.03 1zh7A1 HIS 438 HB2 0.05 0.01 0.03 -0.04 3.26 3.32 1zh7A1 HIS 438 HB3 0.04 -0.12 0.21 -0.04 3.20 3.29 1zh7A1 HIS 438 HD2 0.03 0.25 -0.47 -0.04 6.97 6.73 1zh7A1 HIS 438 HE1 0.02 -0.00 -0.03 -0.04 7.75 7.69 1zh7A1 THR 439 H 0.13 0.32 -0.21 -0.55 8.28 7.97 1zh7A1 THR 439 HA 0.08 0.08 0.91 -0.75 4.39 4.71 1zh7A1 THR 439 HB 0.35 -0.13 0.13 -0.04 4.32 4.63 1zh7A1 THR 439 HG23 0.16 -0.04 -0.09 -0.04 1.22 1.21 1zh7A1 GLU 440 H 0.05 0.07 0.17 -0.55 8.60 8.34 1zh7A1 GLU 440 HA 0.06 0.20 0.51 -0.75 4.29 4.31 1zh7A1 GLU 440 HB2 0.10 -0.17 0.05 -0.04 2.09 2.03 1zh7A1 GLU 440 HB3 0.07 0.05 0.17 -0.04 1.99 2.24 1zh7A1 GLU 440 HG2 0.02 0.09 0.06 -0.04 2.34 2.47 1zh7A1 GLU 440 HG3 -0.02 -0.05 0.16 -0.04 2.34 2.39 1zh7A1 VAL 441 H 0.04 0.21 0.21 -0.55 8.24 8.15 1zh7A1 VAL 441 HA 0.00 0.16 0.47 -0.75 4.13 4.01 1zh7A1 VAL 441 HB 0.01 -0.00 0.11 -0.04 2.12 2.19 1zh7A1 VAL 441 HG13 -0.01 0.02 -0.02 -0.04 0.97 0.92 1zh7A1 VAL 441 HG23 0.02 0.04 0.10 -0.04 0.95 1.07 1zh7A1 ALA 442 H 0.01 0.11 -0.08 -0.55 8.40 7.90 1zh7A1 ALA 442 HA -0.07 0.12 0.39 -0.75 4.34 4.03 1zh7A1 ALA 442 HB3 0.04 0.03 0.05 -0.04 1.41 1.49 1zh7A1 PHE 443 H -0.08 0.10 -0.47 -0.55 8.34 7.34 1zh7A1 PHE 443 HA -0.60 0.12 0.59 -0.75 4.62 3.97 1zh7A1 PHE 443 HB2 -0.46 -0.01 0.06 -0.04 3.15 2.70 1zh7A1 PHE 443 HB3 -0.16 0.13 0.11 -0.04 3.06 3.09 1zh7A1 PHE 443 HD2 -0.03 0.04 -0.03 -0.04 7.28 7.23 1zh7A1 PHE 443 HE2 0.06 0.04 -0.05 -0.04 7.38 7.39 1zh7A1 PHE 443 HZ 0.02 0.01 -0.05 -0.04 7.32 7.26 1zh7A1 ASN 444 H -0.03 0.56 0.01 -0.55 8.53 8.53 1zh7A1 ASN 444 HA -0.30 -0.00 0.32 -0.75 4.76 4.02 1zh7A1 ASN 444 HB2 -0.04 0.03 0.22 -0.04 2.88 3.04 1zh7A1 ASN 444 HB3 -0.05 -0.02 0.00 -0.04 2.79 2.69 1zh7A1 ASN 444 HD21 0.04 0.46 0.11 -0.04 7.03 7.60 1zh7A1 ASN 444 HD22 0.02 -0.10 0.03 -0.04 7.74 7.65 1zh7A1 ASN 445 H -0.13 0.67 -0.27 -0.55 8.53 8.25 1zh7A1 ASN 445 HA -0.07 0.02 0.37 -0.75 4.76 4.33 1zh7A1 ASN 445 HB2 -0.06 0.06 0.08 -0.04 2.88 2.91 1zh7A1 ASN 445 HB3 -0.10 0.08 0.04 -0.04 2.79 2.78 1zh7A1 ASN 445 HD21 -0.03 0.00 -0.01 -0.04 7.03 6.95 1zh7A1 ASN 445 HD22 -0.03 -0.00 -0.01 -0.04 7.74 7.66 1zh7A1 LEU 446 H -0.24 0.33 -0.30 -0.55 8.37 7.61 1zh7A1 LEU 446 HA -0.11 0.04 0.44 -0.75 4.35 3.98 1zh7A1 LEU 446 HB2 -0.31 0.10 0.20 -0.04 1.64 1.59 1zh7A1 LEU 446 HB3 -0.12 -0.05 0.01 -0.04 1.64 1.44 1zh7A1 LEU 446 HG -0.17 0.26 0.16 -0.04 1.64 1.84 1zh7A1 LEU 446 HD13 -0.04 -0.03 -0.00 -0.04 0.93 0.82 1zh7A1 LEU 446 HD23 -0.04 -0.01 -0.05 -0.04 0.89 0.75 1zh7A1 LEU 447 H -0.50 0.54 -0.03 -0.55 8.37 7.83 1zh7A1 LEU 447 HA -0.22 -0.00 0.35 -0.75 4.35 3.73 1zh7A1 LEU 447 HB2 -0.80 0.01 0.05 -0.04 1.64 0.86 1zh7A1 LEU 447 HB3 -0.40 0.16 0.06 -0.04 1.64 1.42 1zh7A1 LEU 447 HG -0.22 -0.01 -0.15 -0.04 1.64 1.22 1zh7A1 LEU 447 HD13 -0.18 -0.02 -0.02 -0.04 0.93 0.67 1zh7A1 LEU 447 HD23 -0.39 -0.00 -0.09 -0.04 0.89 0.36 1zh7A1 SER 448 H -0.11 0.53 -0.34 -0.55 8.46 7.99 1zh7A1 SER 448 HA 0.16 -0.01 0.41 -0.75 4.49 4.30 1zh7A1 SER 448 HB2 0.08 0.05 0.07 -0.04 3.95 4.11 1zh7A1 SER 448 HB3 -0.01 0.14 0.09 -0.04 3.93 4.11 1zh7A1 LEU 449 H -0.05 0.48 -0.16 -0.55 8.37 8.09 1zh7A1 LEU 449 HA -0.02 0.00 0.46 -0.75 4.35 4.04 1zh7A1 LEU 449 HB2 -0.05 0.18 0.27 -0.04 1.64 2.01 1zh7A1 LEU 449 HB3 -0.03 -0.06 0.03 -0.04 1.64 1.54 1zh7A1 LEU 449 HG -0.04 0.25 0.09 -0.04 1.64 1.90 1zh7A1 LEU 449 HD13 -0.04 -0.03 -0.02 -0.04 0.93 0.80 1zh7A1 LEU 449 HD23 -0.02 -0.02 0.02 -0.04 0.89 0.82 1zh7A1 ALA 450 H -0.02 0.55 -0.17 -0.55 8.40 8.22 1zh7A1 ALA 450 HA 0.03 0.01 0.41 -0.75 4.34 4.04 1zh7A1 ALA 450 HB3 0.09 0.04 0.07 -0.04 1.41 1.58 1zh7A1 GLN 451 H 0.07 0.47 -0.16 -0.55 8.47 8.30 1zh7A1 GLN 451 HA 0.06 0.00 0.43 -0.75 4.36 4.09 1zh7A1 GLN 451 HB2 0.15 0.08 0.16 -0.04 2.15 2.50 1zh7A1 GLN 451 HB3 0.05 -0.02 0.01 -0.04 2.02 2.02 1zh7A1 GLN 451 HG2 0.24 0.04 -0.00 -0.04 2.40 2.63 1zh7A1 GLN 451 HG3 0.61 -0.06 -0.04 -0.04 2.39 2.86 1zh7A1 GLN 451 HE21 0.06 0.05 0.01 -0.04 6.97 7.04 1zh7A1 GLN 451 HE22 0.16 -0.03 -0.04 -0.04 7.69 7.73 1zh7A1 GLU 452 H 0.01 0.42 -0.48 -0.55 8.60 8.00 1zh7A1 GLU 452 HA -0.02 0.04 0.51 -0.75 4.29 4.07 1zh7A1 GLU 452 HB2 -0.01 0.18 0.19 -0.04 2.09 2.41 1zh7A1 GLU 452 HB3 -0.02 0.01 0.00 -0.04 1.99 1.94 1zh7A1 GLU 452 HG2 -0.03 -0.05 0.04 -0.04 2.34 2.26 1zh7A1 GLU 452 HG3 -0.02 -0.01 0.04 -0.04 2.34 2.30 1zh7A1 LEU 453 H -0.01 0.37 -0.12 -0.55 8.37 8.07 1zh7A1 LEU 453 HA -0.05 0.02 0.43 -0.75 4.35 4.00 1zh7A1 LEU 453 HB2 -0.01 0.20 0.20 -0.04 1.64 1.99 1zh7A1 LEU 453 HB3 -0.03 -0.02 -0.06 -0.04 1.64 1.49 1zh7A1 LEU 453 HG -0.06 -0.03 0.03 -0.04 1.64 1.54 1zh7A1 LEU 453 HD13 -0.03 0.02 -0.02 -0.04 0.93 0.85 1zh7A1 LEU 453 HD23 -0.02 0.00 -0.06 -0.04 0.89 0.77 1zh7A1 VAL 454 H -0.01 0.35 -0.20 -0.55 8.24 7.84 1zh7A1 VAL 454 HA -0.02 0.02 0.31 -0.75 4.13 3.69 1zh7A1 VAL 454 HB -0.01 0.16 0.10 -0.04 2.12 2.32 1zh7A1 VAL 454 HG13 -0.05 -0.01 -0.21 -0.04 0.97 0.66 1zh7A1 VAL 454 HG23 -0.04 0.07 0.05 -0.04 0.95 0.99 1zh7A1 VAL 455 H -0.02 0.39 -0.35 -0.55 8.24 7.70 1zh7A1 VAL 455 HA -0.03 0.04 0.37 -0.75 4.13 3.76 1zh7A1 VAL 455 HB -0.03 0.14 0.17 -0.04 2.12 2.36 1zh7A1 VAL 455 HG13 -0.03 -0.02 -0.07 -0.04 0.97 0.80 1zh7A1 VAL 455 HG23 -0.04 0.09 0.09 -0.04 0.95 1.05 1zh7A1 ARG 456 H -0.04 0.50 -0.07 -0.55 8.46 8.30 1zh7A1 ARG 456 HA -0.04 0.01 0.41 -0.75 4.34 3.96 1zh7A1 ARG 456 HB2 -0.06 0.09 0.21 -0.04 1.90 2.10 1zh7A1 ARG 456 HB3 -0.06 -0.04 -0.01 -0.04 1.80 1.64 1zh7A1 ARG 456 HG2 -0.04 -0.04 0.03 -0.04 1.67 1.57 1zh7A1 ARG 456 HG3 -0.04 0.10 0.08 -0.04 1.67 1.77 1zh7A1 ARG 456 HD2 -0.05 -0.02 -0.06 -0.04 3.22 3.05 1zh7A1 ARG 456 HD3 -0.05 -0.01 -0.03 -0.04 3.22 3.09 1zh7A1 LEU 457 H -0.06 0.85 -0.06 -0.55 8.37 8.55 1zh7A1 LEU 457 HA -0.10 -0.02 0.35 -0.75 4.35 3.83 1zh7A1 LEU 457 HB2 0.00 0.11 0.03 -0.04 1.64 1.74 1zh7A1 LEU 457 HB3 -0.04 -0.08 0.03 -0.04 1.64 1.51 1zh7A1 LEU 457 HG -0.13 0.09 -0.11 -0.04 1.64 1.45 1zh7A1 LEU 457 HD13 -0.73 -0.02 -0.06 -0.04 0.93 0.08 1zh7A1 LEU 457 HD23 -0.22 -0.05 -0.06 -0.04 0.89 0.52 1zh7A1 ARG 458 H -0.01 0.46 -0.41 -0.55 8.46 7.95 1zh7A1 ARG 458 HA 0.01 0.06 0.56 -0.75 4.34 4.22 1zh7A1 ARG 458 HB2 -0.02 0.15 0.14 -0.04 1.90 2.13 1zh7A1 ARG 458 HB3 -0.02 0.08 0.14 -0.04 1.80 1.96 1zh7A1 ARG 458 HG2 -0.02 -0.07 -0.02 -0.04 1.67 1.52 1zh7A1 ARG 458 HG3 -0.02 -0.01 0.13 -0.04 1.67 1.73 1zh7A1 ARG 458 HD2 -0.04 -0.02 -0.00 -0.04 3.22 3.12 1zh7A1 ARG 458 HD3 -0.05 0.07 0.06 -0.04 3.22 3.26 1zh7A1 SER 459 H -0.02 0.45 -0.14 -0.55 8.46 8.20 1zh7A1 SER 459 HA -0.00 0.05 0.50 -0.75 4.49 4.28 1zh7A1 SER 459 HB2 -0.02 0.14 0.14 -0.04 3.95 4.17 1zh7A1 SER 459 HB3 -0.01 -0.09 0.08 -0.04 3.93 3.87 1zh7A1 LEU 460 H -0.02 0.26 -0.27 -0.55 8.37 7.80 1zh7A1 LEU 460 HA -0.03 0.10 0.60 -0.75 4.35 4.26 1zh7A1 LEU 460 HB2 -0.05 0.02 0.05 -0.04 1.64 1.62 1zh7A1 LEU 460 HB3 -0.06 -0.07 0.05 -0.04 1.64 1.52 1zh7A1 LEU 460 HG -0.05 0.11 -0.08 -0.04 1.64 1.58 1zh7A1 LEU 460 HD13 -0.10 -0.03 -0.16 -0.04 0.93 0.60 1zh7A1 LEU 460 HD23 -0.04 -0.01 -0.03 -0.04 0.89 0.76 1zh7A1 GLN 461 H 0.01 0.27 -0.60 -0.55 8.47 7.61 1zh7A1 GLN 461 HA 0.04 0.10 0.25 -0.75 4.36 4.00 1zh7A1 GLN 461 HB2 -0.12 0.22 -0.07 -0.04 2.15 2.14 1zh7A1 GLN 461 HB3 0.08 -0.09 0.22 -0.04 2.02 2.19 1zh7A1 GLN 461 HG2 0.08 0.01 0.01 -0.04 2.40 2.47 1zh7A1 GLN 461 HG3 0.05 0.07 -0.18 -0.04 2.39 2.29 1zh7A1 GLN 461 HE21 0.16 -0.03 0.02 -0.04 6.97 7.08 1zh7A1 GLN 461 HE22 0.14 0.00 0.02 -0.04 7.69 7.81 1zh7A1 PHE 462 H 0.17 0.50 -0.02 -0.55 8.34 8.43 1zh7A1 PHE 462 HA -0.02 -0.06 0.38 -0.75 4.62 4.17 1zh7A1 PHE 462 HB2 -0.01 0.02 0.11 -0.04 3.15 3.23 1zh7A1 PHE 462 HB3 0.01 0.03 0.07 -0.04 3.06 3.13 1zh7A1 PHE 462 HD2 0.06 -0.00 -0.05 -0.04 7.28 7.25 1zh7A1 PHE 462 HE2 0.15 -0.02 -0.20 -0.04 7.38 7.26 1zh7A1 PHE 462 HZ 0.19 -0.01 -0.10 -0.04 7.32 7.35 1zh7A1 ASP 463 H 0.07 0.03 0.21 -0.55 8.40 8.17 1zh7A1 ASP 463 HA 0.00 0.34 0.94 -0.75 4.63 5.17 1zh7A1 ASP 463 HB2 0.12 -0.09 0.18 -0.04 2.71 2.88 1zh7A1 ASP 463 HB3 0.20 0.25 0.00 -0.04 2.70 3.11 1zh7A1 GLN 464 H 0.03 0.25 0.16 -0.55 8.47 8.36 1zh7A1 GLN 464 HA -0.28 0.11 0.40 -0.75 4.36 3.85 1zh7A1 GLN 464 HB2 0.09 0.09 0.13 -0.04 2.15 2.41 1zh7A1 GLN 464 HB3 0.00 -0.00 0.12 -0.04 2.02 2.09 1zh7A1 GLN 464 HG2 -0.05 -0.05 -0.15 -0.04 2.40 2.11 1zh7A1 GLN 464 HG3 -0.04 0.02 0.03 -0.04 2.39 2.36 1zh7A1 GLN 464 HE21 0.04 0.06 0.01 -0.04 6.97 7.04 1zh7A1 GLN 464 HE22 0.05 -0.01 0.00 -0.04 7.69 7.69 1zh7A1 ARG 465 H -0.06 0.15 -0.09 -0.55 8.46 7.91 1zh7A1 ARG 465 HA -0.19 0.10 0.35 -0.75 4.34 3.86 1zh7A1 ARG 465 HB2 -0.43 0.01 0.04 -0.04 1.90 1.48 1zh7A1 ARG 465 HB3 -0.76 0.02 -0.02 -0.04 1.80 1.00 1zh7A1 ARG 465 HG2 -0.22 0.03 -0.04 -0.04 1.67 1.40 1zh7A1 ARG 465 HG3 -0.11 -0.04 0.00 -0.04 1.67 1.49 1zh7A1 ARG 465 HD2 0.11 0.07 -0.01 -0.04 3.22 3.35 1zh7A1 ARG 465 HD3 0.05 0.06 -0.02 -0.04 3.22 3.27 1zh7A1 GLU 466 H -0.07 0.12 -0.41 -0.55 8.60 7.70 1zh7A1 GLU 466 HA 0.04 0.05 0.46 -0.75 4.29 4.09 1zh7A1 GLU 466 HB2 0.14 0.09 0.08 -0.04 2.09 2.36 1zh7A1 GLU 466 HB3 0.39 0.01 0.03 -0.04 1.99 2.38 1zh7A1 GLU 466 HG2 0.34 0.03 -0.01 -0.04 2.34 2.66 1zh7A1 GLU 466 HG3 0.26 -0.11 -0.02 -0.04 2.34 2.43 1zh7A1 PHE 467 H -0.26 0.43 -0.16 -0.55 8.34 7.80 1zh7A1 PHE 467 HA -0.10 0.02 0.40 -0.75 4.62 4.19 1zh7A1 PHE 467 HB2 -1.23 0.04 0.01 -0.04 3.15 1.93 1zh7A1 PHE 467 HB3 -0.90 0.10 0.19 -0.04 3.06 2.40 1zh7A1 PHE 467 HD2 -0.42 0.01 -0.04 -0.04 7.28 6.78 1zh7A1 PHE 467 HE2 -0.20 -0.00 -0.15 -0.04 7.38 6.98 1zh7A1 PHE 467 HZ -0.21 -0.01 -0.07 -0.04 7.32 6.99 1zh7A1 VAL 468 H -0.23 0.56 -0.14 -0.55 8.24 7.87 1zh7A1 VAL 468 HA -0.56 0.05 0.46 -0.75 4.13 3.33 1zh7A1 VAL 468 HB -0.05 -0.02 -0.03 -0.04 2.12 1.98 1zh7A1 VAL 468 HG13 -0.14 0.03 -0.03 -0.04 0.97 0.79 1zh7A1 VAL 468 HG23 -0.14 0.03 -0.01 -0.04 0.95 0.79 1zh7A1 CYS 469 H -0.09 0.35 -0.30 -0.55 8.50 7.92 1zh7A1 CYS 469 HA 0.02 0.00 0.39 -0.75 4.58 4.24 1zh7A1 CYS 469 HB2 0.05 0.16 0.14 -0.04 2.97 3.27 1zh7A1 CYS 469 HB3 0.07 -0.05 -0.02 -0.04 2.97 2.93 1zh7A1 LEU 470 H 0.01 0.47 -0.26 -0.55 8.37 8.04 1zh7A1 LEU 470 HA 0.07 0.04 0.44 -0.75 4.35 4.15 1zh7A1 LEU 470 HB2 0.11 0.13 0.09 -0.04 1.64 1.92 1zh7A1 LEU 470 HB3 0.06 -0.05 -0.00 -0.04 1.64 1.61 1zh7A1 LEU 470 HG 0.23 0.24 0.02 -0.04 1.64 2.09 1zh7A1 LEU 470 HD13 0.03 -0.01 -0.05 -0.04 0.93 0.85 1zh7A1 LEU 470 HD23 0.04 -0.03 -0.13 -0.04 0.89 0.73 1zh7A1 LYS 471 H -0.21 0.43 -0.24 -0.55 8.42 7.85 1zh7A1 LYS 471 HA -0.11 0.01 0.35 -0.75 4.32 3.82 1zh7A1 LYS 471 HB2 -0.22 0.18 0.17 -0.04 1.87 1.95 1zh7A1 LYS 471 HB3 -0.40 -0.04 -0.03 -0.04 1.79 1.29 1zh7A1 LYS 471 HG2 -0.64 -0.05 0.01 -0.04 1.46 0.73 1zh7A1 LYS 471 HG3 -0.94 0.09 0.04 -0.04 1.46 0.60 1zh7A1 LYS 471 HD2 -1.56 -0.03 -0.07 -0.04 1.69 -0.01 1zh7A1 LYS 471 HD3 -1.17 -0.00 -0.04 -0.04 1.68 0.43 1zh7A1 LYS 471 HE2 -2.01 0.01 -0.04 -0.04 2.99 0.91 1zh7A1 LYS 471 HE3 -1.89 -0.04 -0.03 -0.04 2.99 0.99 1zh7A1 PHE 472 H 0.42 0.47 -0.25 -0.55 8.34 8.44 1zh7A1 PHE 472 HA 0.39 0.02 0.48 -0.75 4.62 4.75 1zh7A1 PHE 472 HB2 0.11 0.14 0.11 -0.04 3.15 3.47 1zh7A1 PHE 472 HB3 0.11 -0.05 -0.04 -0.04 3.06 3.04 1zh7A1 PHE 472 HD2 0.10 0.09 0.01 -0.04 7.28 7.44 1zh7A1 PHE 472 HE2 0.41 -0.06 -0.00 -0.04 7.38 7.68 1zh7A1 PHE 472 HZ 0.04 -0.06 0.02 -0.04 7.32 7.29 1zh7A1 LEU 473 H 0.19 0.38 -0.32 -0.55 8.37 8.07 1zh7A1 LEU 473 HA 0.17 0.06 0.47 -0.75 4.35 4.29 1zh7A1 LEU 473 HB2 0.09 0.07 0.14 -0.04 1.64 1.89 1zh7A1 LEU 473 HB3 0.07 -0.04 -0.00 -0.04 1.64 1.62 1zh7A1 LEU 473 HG 0.12 0.21 -0.01 -0.04 1.64 1.91 1zh7A1 LEU 473 HD13 0.08 -0.03 -0.06 -0.04 0.93 0.88 1zh7A1 LEU 473 HD23 0.11 -0.03 -0.01 -0.04 0.89 0.92 1zh7A1 VAL 474 H 0.10 0.43 -0.29 -0.55 8.24 7.93 1zh7A1 VAL 474 HA 0.04 0.05 0.50 -0.75 4.13 3.96 1zh7A1 VAL 474 HB 0.03 0.11 0.10 -0.04 2.12 2.32 1zh7A1 VAL 474 HG13 -0.00 -0.03 -0.18 -0.04 0.97 0.72 1zh7A1 VAL 474 HG23 0.02 0.02 -0.05 -0.04 0.95 0.89 1zh7A1 LEU 475 H 0.11 0.47 -0.09 -0.55 8.37 8.32 1zh7A1 LEU 475 HA -0.05 0.08 0.51 -0.75 4.35 4.14 1zh7A1 LEU 475 HB2 -0.01 0.01 0.06 -0.04 1.64 1.65 1zh7A1 LEU 475 HB3 -0.00 -0.01 0.14 -0.04 1.64 1.72 1zh7A1 LEU 475 HG -0.72 -0.03 -0.25 -0.04 1.64 0.59 1zh7A1 LEU 475 HD13 -0.40 0.00 -0.09 -0.04 0.93 0.40 1zh7A1 LEU 475 HD23 -1.02 -0.01 -0.05 -0.04 0.89 -0.23 1zh7A1 PHE 476 H 0.34 0.66 -0.13 -0.55 8.34 8.66 1zh7A1 PHE 476 HA 0.07 0.11 0.71 -0.75 4.62 4.75 1zh7A1 PHE 476 HB2 0.11 0.20 0.19 -0.04 3.15 3.61 1zh7A1 PHE 476 HB3 0.07 -0.00 0.18 -0.04 3.06 3.27 1zh7A1 PHE 476 HD2 0.04 0.04 0.06 -0.04 7.28 7.37 1zh7A1 PHE 476 HE2 -0.07 -0.01 -0.10 -0.04 7.38 7.15 1zh7A1 PHE 476 HZ 0.34 -0.10 -0.16 -0.04 7.32 7.37 1zh7A1 SER 477 H 0.03 0.41 -0.28 -0.55 8.46 8.07 1zh7A1 SER 477 HA 0.08 0.12 0.64 -0.75 4.49 4.57 1zh7A1 SER 477 HB2 0.03 0.21 -0.04 -0.04 3.95 4.11 1zh7A1 SER 477 HB3 0.02 0.04 0.03 -0.04 3.93 3.97 1zh7A1 SER 478 H 0.05 0.20 0.16 -0.55 8.46 8.33 1zh7A1 SER 478 HA 0.05 0.12 0.53 -0.75 4.49 4.44 1zh7A1 SER 478 HB2 0.04 0.01 0.03 -0.04 3.95 3.99 1zh7A1 SER 478 HB3 0.03 -0.01 0.10 -0.04 3.93 4.01 1zh7A1 ASP 479 H 0.03 0.05 -0.27 -0.55 8.40 7.66 1zh7A1 ASP 479 HA 0.02 0.17 0.55 -0.75 4.63 4.61 1zh7A1 ASP 479 HB2 0.01 0.01 0.04 -0.04 2.71 2.73 1zh7A1 ASP 479 HB3 0.01 0.02 0.15 -0.04 2.70 2.84 1zh7A1 VAL 480 H 0.02 0.19 -0.81 -0.55 8.24 7.09 1zh7A1 VAL 480 HA 0.01 0.11 0.67 -0.75 4.13 4.17 1zh7A1 VAL 480 HB 0.01 0.07 0.01 -0.04 2.12 2.17 1zh7A1 VAL 480 HG13 0.01 -0.02 -0.26 -0.04 0.97 0.65 1zh7A1 VAL 480 HG23 0.01 -0.01 -0.10 -0.04 0.95 0.81 1zh7A1 LYS 481 H 0.01 0.17 0.10 -0.55 8.42 8.15 1zh7A1 LYS 481 HA 0.01 0.16 0.90 -0.75 4.32 4.64 1zh7A1 LYS 481 HB2 0.01 0.00 -0.01 -0.04 1.87 1.82 1zh7A1 LYS 481 HB3 0.01 0.03 0.01 -0.04 1.79 1.80 1zh7A1 LYS 481 HG2 0.01 -0.02 0.11 -0.04 1.46 1.51 1zh7A1 LYS 481 HG3 0.01 0.02 0.01 -0.04 1.46 1.45 1zh7A1 LYS 481 HD2 0.01 -0.01 -0.03 -0.04 1.69 1.61 1zh7A1 LYS 481 HD3 0.01 0.06 -0.01 -0.04 1.68 1.70 1zh7A1 LYS 481 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.92 1zh7A1 LYS 481 HE3 0.01 -0.00 -0.01 -0.04 2.99 2.94 1zh7A1 ASN 482 H 0.00 0.14 0.14 -0.55 8.53 8.27 1zh7A1 ASN 482 HA -0.00 0.04 0.29 -0.75 4.76 4.33 1zh7A1 ASN 482 HB2 0.00 0.30 0.17 -0.04 2.88 3.31 1zh7A1 ASN 482 HB3 -0.00 -0.04 0.19 -0.04 2.79 2.89 1zh7A1 ASN 482 HD21 0.00 0.00 -0.09 -0.04 7.03 6.90 1zh7A1 ASN 482 HD22 0.00 0.11 -0.18 -0.04 7.74 7.63 1zh7A1 LEU 483 H 0.00 0.09 -0.13 -0.55 8.37 7.79 1zh7A1 LEU 483 HA -0.01 0.10 0.54 -0.75 4.35 4.22 1zh7A1 LEU 483 HB2 0.00 -0.00 -0.05 -0.04 1.64 1.56 1zh7A1 LEU 483 HB3 -0.00 -0.12 -0.23 -0.04 1.64 1.25 1zh7A1 LEU 483 HG 0.00 0.08 -0.36 -0.04 1.64 1.32 1zh7A1 LEU 483 HD13 0.01 0.02 -0.04 -0.04 0.93 0.88 1zh7A1 LEU 483 HD23 -0.02 0.00 -0.08 -0.04 0.89 0.75 1zh7A1 GLU 484 H -0.02 0.09 0.11 -0.55 8.60 8.24 1zh7A1 GLU 484 HA -0.01 0.15 0.45 -0.75 4.29 4.13 1zh7A1 GLU 484 HB2 -0.02 -0.04 0.19 -0.04 2.09 2.18 1zh7A1 GLU 484 HB3 -0.02 -0.02 0.10 -0.04 1.99 2.01 1zh7A1 GLU 484 HG2 -0.01 0.06 0.07 -0.04 2.34 2.41 1zh7A1 GLU 484 HG3 -0.02 -0.00 0.05 -0.04 2.34 2.33 1zh7A1 ASN 485 H -0.01 0.07 -0.05 -0.55 8.53 7.99 1zh7A1 ASN 485 HA 0.00 0.23 0.82 -0.75 4.76 5.06 1zh7A1 ASN 485 HB2 -0.01 0.03 0.09 -0.04 2.88 2.95 1zh7A1 ASN 485 HB3 0.01 0.00 0.24 -0.04 2.79 2.99 1zh7A1 ASN 485 HD21 0.01 0.06 0.01 -0.04 7.03 7.07 1zh7A1 ASN 485 HD22 0.00 0.06 0.04 -0.04 7.74 7.81 1zh7A1 LEU 486 H 0.01 0.41 -0.15 -0.55 8.37 8.10 1zh7A1 LEU 486 HA 0.03 0.09 0.36 -0.75 4.35 4.08 1zh7A1 LEU 486 HB2 0.01 0.09 0.05 -0.04 1.64 1.75 1zh7A1 LEU 486 HB3 0.01 0.00 0.08 -0.04 1.64 1.69 1zh7A1 LEU 486 HG 0.02 -0.05 -0.21 -0.04 1.64 1.36 1zh7A1 LEU 486 HD13 0.02 0.02 0.08 -0.04 0.93 1.02 1zh7A1 LEU 486 HD23 0.01 0.01 0.00 -0.04 0.89 0.88 1zh7A1 GLN 487 H 0.01 0.13 -0.10 -0.55 8.47 7.97 1zh7A1 GLN 487 HA 0.01 0.11 0.35 -0.75 4.36 4.08 1zh7A1 GLN 487 HB2 0.01 -0.02 0.03 -0.04 2.15 2.12 1zh7A1 GLN 487 HB3 0.00 0.06 -0.02 -0.04 2.02 2.02 1zh7A1 GLN 487 HG2 0.01 0.04 0.03 -0.04 2.40 2.43 1zh7A1 GLN 487 HG3 0.01 -0.04 0.07 -0.04 2.39 2.39 1zh7A1 GLN 487 HE21 0.00 0.03 0.01 -0.04 6.97 6.98 1zh7A1 GLN 487 HE22 0.00 -0.01 0.03 -0.04 7.69 7.67 1zh7A1 LEU 488 H 0.03 0.13 -0.34 -0.55 8.37 7.64 1zh7A1 LEU 488 HA 0.00 0.08 0.40 -0.75 4.35 4.08 1zh7A1 LEU 488 HB2 0.04 0.02 0.05 -0.04 1.64 1.71 1zh7A1 LEU 488 HB3 0.06 0.10 0.10 -0.04 1.64 1.85 1zh7A1 LEU 488 HG 0.19 0.01 -0.24 -0.04 1.64 1.55 1zh7A1 LEU 488 HD13 0.03 -0.03 -0.02 -0.04 0.93 0.87 1zh7A1 LEU 488 HD23 0.08 0.03 -0.07 -0.04 0.89 0.89 1zh7A1 VAL 489 H 0.09 0.31 -0.14 -0.55 8.24 7.95 1zh7A1 VAL 489 HA 0.45 0.02 0.36 -0.75 4.13 4.22 1zh7A1 VAL 489 HB 0.09 0.11 0.09 -0.04 2.12 2.38 1zh7A1 VAL 489 HG13 0.18 0.04 -0.39 -0.04 0.97 0.76 1zh7A1 VAL 489 HG23 0.09 0.01 0.00 -0.04 0.95 1.02 1zh7A1 GLU 490 H 0.05 0.48 -0.23 -0.55 8.60 8.36 1zh7A1 GLU 490 HA 0.05 0.05 0.44 -0.75 4.29 4.08 1zh7A1 GLU 490 HB2 0.02 0.07 0.07 -0.04 2.09 2.20 1zh7A1 GLU 490 HB3 0.02 -0.04 0.06 -0.04 1.99 1.99 1zh7A1 GLU 490 HG2 0.04 -0.04 0.02 -0.04 2.34 2.31 1zh7A1 GLU 490 HG3 0.04 0.14 0.03 -0.04 2.34 2.51 1zh7A1 GLY 491 H -0.01 0.32 -0.47 -0.55 8.43 7.72 1zh7A1 GLY 491 HA2 -0.06 0.05 0.58 -0.51 4.01 4.07 1zh7A1 GLY 491 HA3 -0.08 0.05 0.32 -0.51 4.01 3.79 1zh7A1 VAL 492 H -0.17 0.67 0.09 -0.55 8.24 8.28 1zh7A1 VAL 492 HA -0.60 -0.02 0.39 -0.75 4.13 3.15 1zh7A1 VAL 492 HB -0.41 0.16 0.19 -0.04 2.12 2.02 1zh7A1 VAL 492 HG13 -0.93 -0.01 -0.10 -0.04 0.97 -0.12 1zh7A1 VAL 492 HG23 -0.69 0.04 0.02 -0.04 0.95 0.28 1zh7A1 GLN 493 H -0.04 0.55 -0.17 -0.55 8.47 8.27 1zh7A1 GLN 493 HA 0.04 0.02 0.35 -0.75 4.36 4.01 1zh7A1 GLN 493 HB2 0.08 0.27 0.18 -0.04 2.15 2.65 1zh7A1 GLN 493 HB3 0.03 0.04 0.07 -0.04 2.02 2.12 1zh7A1 GLN 493 HG2 0.06 -0.09 -0.03 -0.04 2.40 2.30 1zh7A1 GLN 493 HG3 0.09 0.06 0.11 -0.04 2.39 2.61 1zh7A1 GLN 493 HE21 0.06 -0.44 0.17 -0.04 6.97 6.72 1zh7A1 GLN 493 HE22 0.09 0.23 0.14 -0.04 7.69 8.12 1zh7A1 GLU 494 H -0.04 0.40 -0.32 -0.55 8.60 8.10 1zh7A1 GLU 494 HA 0.01 0.01 0.55 -0.75 4.29 4.11 1zh7A1 GLU 494 HB2 -0.03 0.21 0.22 -0.04 2.09 2.44 1zh7A1 GLU 494 HB3 -0.03 -0.03 -0.02 -0.04 1.99 1.86 1zh7A1 GLU 494 HG2 0.01 -0.06 0.09 -0.04 2.34 2.33 1zh7A1 GLU 494 HG3 0.01 0.03 0.06 -0.04 2.34 2.39 1zh7A1 GLN 495 H -0.11 0.52 -0.20 -0.55 8.47 8.13 1zh7A1 GLN 495 HA -0.06 -0.00 0.48 -0.75 4.36 4.02 1zh7A1 GLN 495 HB2 -0.24 0.22 0.18 -0.04 2.15 2.27 1zh7A1 GLN 495 HB3 -0.25 0.03 0.11 -0.04 2.02 1.86 1zh7A1 GLN 495 HG2 -0.24 -0.02 -0.01 -0.04 2.40 2.09 1zh7A1 GLN 495 HG3 -0.06 -0.09 0.01 -0.04 2.39 2.20 1zh7A1 GLN 495 HE21 -0.03 0.01 0.00 -0.04 6.97 6.91 1zh7A1 GLN 495 HE22 -0.02 -0.07 0.03 -0.04 7.69 7.59 1zh7A1 VAL 496 H -0.06 0.63 -0.07 -0.55 8.24 8.18 1zh7A1 VAL 496 HA -0.02 0.00 0.50 -0.75 4.13 3.86 1zh7A1 VAL 496 HB 0.04 0.12 0.07 -0.04 2.12 2.31 1zh7A1 VAL 496 HG13 0.07 0.01 -0.08 -0.04 0.97 0.93 1zh7A1 VAL 496 HG23 -0.04 0.03 -0.04 -0.04 0.95 0.86 1zh7A1 ASN 497 H 0.05 0.58 -0.02 -0.55 8.53 8.59 1zh7A1 ASN 497 HA 0.21 0.02 0.39 -0.75 4.76 4.62 1zh7A1 ASN 497 HB2 0.07 0.08 0.20 -0.04 2.88 3.19 1zh7A1 ASN 497 HB3 0.17 -0.03 -0.02 -0.04 2.79 2.86 1zh7A1 ASN 497 HD21 0.09 -0.02 0.01 -0.04 7.03 7.07 1zh7A1 ASN 497 HD22 0.09 -0.02 0.00 -0.04 7.74 7.77 1zh7A1 ALA 498 H 0.01 0.46 -0.22 -0.55 8.40 8.10 1zh7A1 ALA 498 HA -0.07 0.00 0.38 -0.75 4.34 3.90 1zh7A1 ALA 498 HB3 -0.02 0.04 0.11 -0.04 1.41 1.49 1zh7A1 ALA 499 H 0.00 0.33 -0.39 -0.55 8.40 7.80 1zh7A1 ALA 499 HA 0.02 -0.02 0.44 -0.75 4.34 4.02 1zh7A1 ALA 499 HB3 0.00 0.02 0.13 -0.04 1.41 1.52 1zh7A1 LEU 500 H 0.07 0.80 0.01 -0.55 8.37 8.70 1zh7A1 LEU 500 HA 0.16 -0.02 0.38 -0.75 4.35 4.12 1zh7A1 LEU 500 HB2 0.16 0.00 0.09 -0.04 1.64 1.85 1zh7A1 LEU 500 HB3 0.33 0.10 0.13 -0.04 1.64 2.16 1zh7A1 LEU 500 HG 0.47 -0.04 -0.14 -0.04 1.64 1.90 1zh7A1 LEU 500 HD13 0.23 -0.02 0.06 -0.04 0.93 1.15 1zh7A1 LEU 500 HD23 0.19 -0.00 -0.06 -0.04 0.89 0.98 1zh7A1 LEU 501 H -0.12 0.60 -0.20 -0.55 8.37 8.10 1zh7A1 LEU 501 HA -0.49 -0.03 0.44 -0.75 4.35 3.51 1zh7A1 LEU 501 HB2 -1.06 0.01 0.09 -0.04 1.64 0.63 1zh7A1 LEU 501 HB3 -0.30 0.09 0.20 -0.04 1.64 1.59 1zh7A1 LEU 501 HG -0.23 0.02 -0.21 -0.04 1.64 1.18 1zh7A1 LEU 501 HD13 -0.52 -0.02 0.02 -0.04 0.93 0.37 1zh7A1 LEU 501 HD23 -0.26 -0.00 -0.01 -0.04 0.89 0.58 1zh7A1 ASP 502 H -0.07 0.60 0.03 -0.55 8.40 8.41 1zh7A1 ASP 502 HA -0.03 -0.02 0.38 -0.75 4.63 4.20 1zh7A1 ASP 502 HB2 -0.01 0.17 0.22 -0.04 2.71 3.05 1zh7A1 ASP 502 HB3 0.05 0.05 0.16 -0.04 2.70 2.93 1zh7A1 TYR 503 H 0.17 0.55 -0.24 -0.55 8.29 8.22 1zh7A1 TYR 503 HA 0.04 0.10 0.47 -0.75 4.56 4.41 1zh7A1 TYR 503 HB2 0.04 -0.02 0.12 -0.04 3.06 3.16 1zh7A1 TYR 503 HB3 0.07 0.05 0.16 -0.04 2.98 3.22 1zh7A1 TYR 503 HD2 0.09 0.04 -0.00 -0.04 7.15 7.24 1zh7A1 TYR 503 HE2 0.14 0.01 -0.05 -0.04 6.85 6.91 1zh7A1 THR 504 H 0.22 0.65 0.06 -0.55 8.28 8.66 1zh7A1 THR 504 HA 0.08 0.02 0.34 -0.75 4.39 4.07 1zh7A1 THR 504 HB 0.14 -0.06 0.05 -0.04 4.32 4.41 1zh7A1 THR 504 HG23 0.31 0.04 0.05 -0.04 1.22 1.58 1zh7A1 VAL 505 H 0.01 0.53 -0.17 -0.55 8.24 8.06 1zh7A1 VAL 505 HA 0.03 0.12 0.43 -0.75 4.13 3.96 1zh7A1 VAL 505 HB -0.00 -0.04 0.06 -0.04 2.12 2.10 1zh7A1 VAL 505 HG13 -0.04 0.13 0.06 -0.04 0.97 1.08 1zh7A1 VAL 505 HG23 -0.01 -0.00 -0.15 -0.04 0.95 0.75 1zh7A1 CYS 506 H -0.04 0.44 -0.03 -0.55 8.50 8.33 1zh7A1 CYS 506 HA -0.05 -0.00 0.48 -0.75 4.58 4.26 1zh7A1 CYS 506 HB2 -0.06 0.18 0.27 -0.04 2.97 3.31 1zh7A1 CYS 506 HB3 -0.05 -0.06 0.11 -0.04 2.97 2.92 1zh7A1 ASN 507 H -0.21 0.52 -0.11 -0.55 8.53 8.19 1zh7A1 ASN 507 HA -0.27 0.16 0.94 -0.75 4.76 4.84 1zh7A1 ASN 507 HB2 -0.80 0.09 0.07 -0.04 2.88 2.20 1zh7A1 ASN 507 HB3 -0.66 -0.09 0.07 -0.04 2.79 2.08 1zh7A1 ASN 507 HD21 -0.04 0.57 0.17 -0.04 7.03 7.69 1zh7A1 ASN 507 HD22 -0.57 0.03 0.17 -0.04 7.74 7.33 1zh7A1 TYR 508 H -0.01 0.35 -0.24 -0.55 8.29 7.84 1zh7A1 TYR 508 HA -0.04 0.09 0.71 -0.75 4.56 4.57 1zh7A1 TYR 508 HB2 -0.02 0.15 0.24 -0.04 3.06 3.39 1zh7A1 TYR 508 HB3 -0.00 -0.14 0.26 -0.04 2.98 3.06 1zh7A1 TYR 508 HD2 -0.08 -0.05 -0.01 -0.04 7.15 6.96 1zh7A1 TYR 508 HE2 0.03 -0.09 0.01 -0.04 6.85 6.77 1zh7A1 PRO 509 HA 0.02 0.05 0.45 -0.51 4.44 4.45 1zh7A1 PRO 509 HB2 -0.01 -0.08 0.00 -0.04 2.28 2.15 1zh7A1 PRO 509 HB3 -0.02 0.17 0.17 -0.04 2.02 2.30 1zh7A1 PRO 509 HG2 -0.02 -0.10 0.00 -0.04 2.03 1.86 1zh7A1 PRO 509 HG3 -0.04 0.05 0.02 -0.04 2.03 2.02 1zh7A1 PRO 509 HD2 -0.09 0.12 -0.32 -0.04 3.68 3.34 1zh7A1 PRO 509 HD3 -0.08 0.24 -0.43 -0.04 3.65 3.34 1zh7A1 GLN 510 H 0.03 0.10 -0.35 -0.55 8.47 7.71 1zh7A1 GLN 510 HA 0.02 0.06 0.42 -0.75 4.36 4.11 1zh7A1 GLN 510 HB2 0.04 0.03 0.02 -0.04 2.15 2.19 1zh7A1 GLN 510 HB3 0.02 -0.02 0.04 -0.04 2.02 2.02 1zh7A1 GLN 510 HG2 0.00 0.02 0.00 -0.04 2.40 2.38 1zh7A1 GLN 510 HG3 0.01 -0.00 0.01 -0.04 2.39 2.37 1zh7A1 GLN 510 HE21 0.00 -0.01 0.01 -0.04 6.97 6.93 1zh7A1 GLN 510 HE22 0.01 -0.01 0.02 -0.04 7.69 7.67 1zh7A1 GLN 511 H 0.08 0.52 -0.25 -0.55 8.47 8.27 1zh7A1 GLN 511 HA 0.04 0.05 0.68 -0.75 4.36 4.38 1zh7A1 GLN 511 HB2 0.10 0.05 0.16 -0.04 2.15 2.42 1zh7A1 GLN 511 HB3 0.06 -0.10 0.24 -0.04 2.02 2.18 1zh7A1 GLN 511 HG2 0.01 -0.12 -0.01 -0.04 2.40 2.24 1zh7A1 GLN 511 HG3 0.03 -0.00 0.03 -0.04 2.39 2.40 1zh7A1 GLN 511 HE21 -0.01 0.14 0.01 -0.04 6.97 7.07 1zh7A1 GLN 511 HE22 -0.01 -0.08 0.01 -0.04 7.69 7.58 1zh7A1 THR 512 H 0.03 0.32 0.10 -0.55 8.28 8.18 1zh7A1 THR 512 HA 0.03 0.12 0.30 -0.75 4.39 4.09 1zh7A1 THR 512 HB 0.02 -0.10 0.09 -0.04 4.32 4.29 1zh7A1 THR 512 HG23 0.02 -0.01 -0.08 -0.04 1.22 1.11 1zh7A1 GLU 513 H 0.03 0.09 -0.27 -0.55 8.60 7.90 1zh7A1 GLU 513 HA 0.08 0.26 1.06 -0.75 4.29 4.94 1zh7A1 GLU 513 HB2 0.04 0.08 -0.13 -0.04 2.09 2.03 1zh7A1 GLU 513 HB3 0.02 0.04 0.11 -0.04 1.99 2.11 1zh7A1 GLU 513 HG2 0.03 0.09 0.04 -0.04 2.34 2.46 1zh7A1 GLU 513 HG3 0.02 -0.23 0.14 -0.04 2.34 2.23 1zh7A1 LYS 514 H 0.06 0.60 -0.05 -0.55 8.42 8.48 1zh7A1 LYS 514 HA -0.00 0.08 0.44 -0.75 4.32 4.08 1zh7A1 LYS 514 HB2 -0.01 0.10 0.15 -0.04 1.87 2.07 1zh7A1 LYS 514 HB3 0.07 0.05 0.15 -0.04 1.79 2.02 1zh7A1 LYS 514 HG2 0.01 -0.01 -0.02 -0.04 1.46 1.40 1zh7A1 LYS 514 HG3 0.03 -0.12 -0.20 -0.04 1.46 1.12 1zh7A1 LYS 514 HD2 -0.09 -0.09 -0.03 -0.04 1.69 1.44 1zh7A1 LYS 514 HD3 -0.14 0.04 0.09 -0.04 1.68 1.63 1zh7A1 LYS 514 HE2 -0.93 0.03 0.07 -0.04 2.99 2.13 1zh7A1 LYS 514 HE3 -0.42 -0.12 0.02 -0.04 2.99 2.42 1zh7A1 PHE 515 H 0.21 0.20 -0.12 -0.55 8.34 8.07 1zh7A1 PHE 515 HA 0.03 0.07 0.27 -0.75 4.62 4.24 1zh7A1 PHE 515 HB2 0.04 0.08 0.08 -0.04 3.15 3.31 1zh7A1 PHE 515 HB3 0.02 -0.03 0.07 -0.04 3.06 3.08 1zh7A1 PHE 515 HD2 0.04 0.01 -0.13 -0.04 7.28 7.16 1zh7A1 PHE 515 HE2 0.03 0.00 -0.05 -0.04 7.38 7.33 1zh7A1 PHE 515 HZ 0.02 -0.01 -0.04 -0.04 7.32 7.25 1zh7A1 GLY 516 H 0.11 0.10 -0.21 -0.55 8.43 7.88 1zh7A1 GLY 516 HA2 -0.25 0.03 0.39 -0.51 4.01 3.68 1zh7A1 GLY 516 HA3 -0.04 0.05 0.28 -0.51 4.01 3.79 1zh7A1 GLN 517 H -0.04 0.60 -0.21 -0.55 8.47 8.27 1zh7A1 GLN 517 HA -0.08 -0.03 0.34 -0.75 4.36 3.85 1zh7A1 GLN 517 HB2 -0.04 0.12 0.22 -0.04 2.15 2.41 1zh7A1 GLN 517 HB3 -0.07 -0.04 -0.02 -0.04 2.02 1.85 1zh7A1 GLN 517 HG2 -0.02 0.07 0.06 -0.04 2.40 2.47 1zh7A1 GLN 517 HG3 -0.03 -0.03 -0.04 -0.04 2.39 2.25 1zh7A1 GLN 517 HE21 -0.03 -0.01 -0.04 -0.04 6.97 6.84 1zh7A1 GLN 517 HE22 -0.03 -0.02 -0.06 -0.04 7.69 7.54 1zh7A1 LEU 518 H -0.11 0.77 -0.10 -0.55 8.37 8.38 1zh7A1 LEU 518 HA -0.18 -0.00 0.36 -0.75 4.35 3.77 1zh7A1 LEU 518 HB2 -0.10 0.10 0.14 -0.04 1.64 1.74 1zh7A1 LEU 518 HB3 -0.06 -0.07 -0.03 -0.04 1.64 1.43 1zh7A1 LEU 518 HG -0.02 0.16 -0.03 -0.04 1.64 1.71 1zh7A1 LEU 518 HD13 0.17 -0.02 -0.07 -0.04 0.93 0.96 1zh7A1 LEU 518 HD23 -0.13 -0.01 -0.04 -0.04 0.89 0.67 1zh7A1 LEU 519 H -0.30 0.52 -0.08 -0.55 8.37 7.96 1zh7A1 LEU 519 HA -0.14 -0.00 0.44 -0.75 4.35 3.89 1zh7A1 LEU 519 HB2 -0.30 0.13 0.13 -0.04 1.64 1.55 1zh7A1 LEU 519 HB3 -0.18 -0.06 0.03 -0.04 1.64 1.40 1zh7A1 LEU 519 HG -0.83 0.15 0.06 -0.04 1.64 0.97 1zh7A1 LEU 519 HD13 -0.35 -0.02 -0.02 -0.04 0.93 0.51 1zh7A1 LEU 519 HD23 -0.12 -0.02 -0.02 -0.04 0.89 0.69 1zh7A1 LEU 520 H -0.14 0.51 -0.24 -0.55 8.37 7.96 1zh7A1 LEU 520 HA -0.07 -0.01 0.38 -0.75 4.35 3.89 1zh7A1 LEU 520 HB2 -0.08 0.23 0.12 -0.04 1.64 1.87 1zh7A1 LEU 520 HB3 -0.06 -0.08 0.04 -0.04 1.64 1.50 1zh7A1 LEU 520 HG -0.08 0.15 0.00 -0.04 1.64 1.67 1zh7A1 LEU 520 HD13 -0.05 -0.02 -0.04 -0.04 0.93 0.78 1zh7A1 LEU 520 HD23 -0.05 -0.02 0.01 -0.04 0.89 0.79 1zh7A1 ARG 521 H -0.11 0.42 -0.59 -0.55 8.46 7.63 1zh7A1 ARG 521 HA -0.08 0.02 0.49 -0.75 4.34 4.02 1zh7A1 ARG 521 HB2 -0.15 0.44 0.19 -0.04 1.90 2.34 1zh7A1 ARG 521 HB3 -0.12 -0.09 -0.03 -0.04 1.80 1.52 1zh7A1 ARG 521 HG2 -0.20 0.02 0.01 -0.04 1.67 1.46 1zh7A1 ARG 521 HG3 -0.13 -0.08 0.02 -0.04 1.67 1.44 1zh7A1 ARG 521 HD2 -0.09 -0.05 -0.02 -0.04 3.22 3.02 1zh7A1 ARG 521 HD3 -0.08 -0.03 -0.05 -0.04 3.22 3.02 1zh7A1 LEU 522 H -0.07 0.47 -0.11 -0.55 8.37 8.12 1zh7A1 LEU 522 HA -0.03 -0.02 0.38 -0.75 4.35 3.92 1zh7A1 LEU 522 HB2 -0.04 0.15 0.12 -0.04 1.64 1.83 1zh7A1 LEU 522 HB3 -0.02 -0.04 0.02 -0.04 1.64 1.56 1zh7A1 LEU 522 HG -0.05 0.09 0.11 -0.04 1.64 1.75 1zh7A1 LEU 522 HD13 -0.00 0.00 -0.03 -0.04 0.93 0.85 1zh7A1 LEU 522 HD23 -0.01 -0.03 -0.06 -0.04 0.89 0.76 1zh7A1 PRO 523 HA -0.03 0.05 0.52 -0.51 4.44 4.47 1zh7A1 PRO 523 HB2 -0.03 0.08 0.00 -0.04 2.28 2.29 1zh7A1 PRO 523 HB3 -0.03 -0.00 0.09 -0.04 2.02 2.04 1zh7A1 PRO 523 HG2 -0.04 0.05 0.04 -0.04 2.03 2.05 1zh7A1 PRO 523 HG3 -0.03 0.00 0.02 -0.04 2.03 1.98 1zh7A1 PRO 523 HD2 -0.05 0.40 -0.18 -0.04 3.68 3.80 1zh7A1 PRO 523 HD3 -0.05 0.21 0.11 -0.04 3.65 3.88 1zh7A1 GLU 524 H -0.04 0.36 -0.42 -0.55 8.60 7.95 1zh7A1 GLU 524 HA -0.03 0.03 0.51 -0.75 4.29 4.05 1zh7A1 GLU 524 HB2 -0.04 0.18 0.16 -0.04 2.09 2.35 1zh7A1 GLU 524 HB3 -0.03 -0.05 0.04 -0.04 1.99 1.90 1zh7A1 GLU 524 HG2 -0.03 -0.06 -0.00 -0.04 2.34 2.20 1zh7A1 GLU 524 HG3 -0.04 0.21 0.10 -0.04 2.34 2.56 1zh7A1 ILE 525 H -0.04 0.56 0.00 -0.55 8.25 8.23 1zh7A1 ILE 525 HA -0.02 0.01 0.39 -0.75 4.18 3.81 1zh7A1 ILE 525 HB -0.02 0.11 0.15 -0.04 1.89 2.08 1zh7A1 ILE 525 HG12 -0.00 -0.05 -0.03 -0.04 1.49 1.37 1zh7A1 ILE 525 HG13 -0.03 0.15 -0.00 -0.04 1.21 1.28 1zh7A1 ILE 525 HG23 -0.02 -0.03 -0.09 -0.04 0.93 0.75 1zh7A1 ILE 525 HD13 0.01 -0.01 -0.08 -0.04 0.88 0.76 1zh7A1 ARG 526 H -0.04 0.52 -0.30 -0.55 8.46 8.09 1zh7A1 ARG 526 HA -0.06 -0.00 0.44 -0.75 4.34 3.96 1zh7A1 ARG 526 HB2 -0.03 0.09 0.15 -0.04 1.90 2.06 1zh7A1 ARG 526 HB3 -0.03 0.16 0.24 -0.04 1.80 2.12 1zh7A1 ARG 526 HG2 -0.03 0.00 -0.01 -0.04 1.67 1.59 1zh7A1 ARG 526 HG3 -0.04 -0.08 -0.15 -0.04 1.67 1.36 1zh7A1 ARG 526 HD2 -0.04 -0.01 0.02 -0.04 3.22 3.15 1zh7A1 ARG 526 HD3 -0.03 0.03 0.02 -0.04 3.22 3.20 1zh7A1 ALA 527 H -0.03 0.66 0.01 -0.55 8.40 8.49 1zh7A1 ALA 527 HA -0.03 -0.01 0.34 -0.75 4.34 3.88 1zh7A1 ALA 527 HB3 -0.02 0.03 0.12 -0.04 1.41 1.50 1zh7A1 ILE 528 H -0.04 0.35 -0.74 -0.55 8.25 7.27 1zh7A1 ILE 528 HA -0.03 0.04 0.63 -0.75 4.18 4.07 1zh7A1 ILE 528 HB -0.03 0.14 0.12 -0.04 1.89 2.07 1zh7A1 ILE 528 HG12 -0.03 -0.08 -0.03 -0.04 1.49 1.31 1zh7A1 ILE 528 HG13 -0.03 0.32 0.04 -0.04 1.21 1.50 1zh7A1 ILE 528 HG23 -0.03 -0.04 -0.07 -0.04 0.93 0.75 1zh7A1 ILE 528 HD13 -0.02 -0.03 -0.18 -0.04 0.88 0.61 1zh7A1 SER 529 H -0.07 0.60 0.06 -0.55 8.46 8.52 1zh7A1 SER 529 HA -0.11 -0.03 0.38 -0.75 4.49 3.97 1zh7A1 SER 529 HB2 -0.29 -0.18 -0.07 -0.04 3.95 3.37 1zh7A1 SER 529 HB3 -0.14 0.11 0.02 -0.04 3.93 3.87 1zh7A1 LYS 530 H -0.05 0.39 -0.53 -0.55 8.42 7.68 1zh7A1 LYS 530 HA -0.04 0.05 0.44 -0.75 4.32 4.02 1zh7A1 LYS 530 HB2 -0.02 0.16 0.09 -0.04 1.87 2.06 1zh7A1 LYS 530 HB3 -0.01 -0.02 -0.04 -0.04 1.79 1.68 1zh7A1 LYS 530 HG2 -0.05 -0.03 -0.06 -0.04 1.46 1.28 1zh7A1 LYS 530 HG3 -0.03 0.03 -0.14 -0.04 1.46 1.27 1zh7A1 LYS 530 HD2 -0.01 0.00 -0.02 -0.04 1.69 1.62 1zh7A1 LYS 530 HD3 -0.01 -0.02 -0.02 -0.04 1.68 1.59 1zh7A1 LYS 530 HE2 -0.02 -0.01 -0.05 -0.04 2.99 2.87 1zh7A1 LYS 530 HE3 -0.01 0.00 -0.02 -0.04 2.99 2.91 1zh7A1 GLN 531 H -0.01 0.40 -0.07 -0.55 8.47 8.25 1zh7A1 GLN 531 HA 0.05 0.04 0.46 -0.75 4.36 4.14 1zh7A1 GLN 531 HB2 -0.00 0.11 0.19 -0.04 2.15 2.40 1zh7A1 GLN 531 HB3 0.01 -0.06 0.05 -0.04 2.02 1.99 1zh7A1 GLN 531 HG2 0.01 -0.04 0.06 -0.04 2.40 2.38 1zh7A1 GLN 531 HG3 -0.00 0.16 0.14 -0.04 2.39 2.64 1zh7A1 GLN 531 HE21 -0.02 -0.04 -0.02 -0.04 6.97 6.85 1zh7A1 GLN 531 HE22 -0.02 0.15 0.01 -0.04 7.69 7.79 1zh7A1 ALA 532 H 0.01 0.58 -0.25 -0.55 8.40 8.19 1zh7A1 ALA 532 HA 0.14 -0.02 0.39 -0.75 4.34 4.10 1zh7A1 ALA 532 HB3 0.01 0.03 0.09 -0.04 1.41 1.51 1zh7A1 GLU 533 H 0.01 0.65 -0.09 -0.55 8.60 8.62 1zh7A1 GLU 533 HA 0.18 -0.05 0.34 -0.75 4.29 4.00 1zh7A1 GLU 533 HB2 0.04 0.13 0.13 -0.04 2.09 2.36 1zh7A1 GLU 533 HB3 0.14 -0.02 0.07 -0.04 1.99 2.14 1zh7A1 GLU 533 HG2 -0.12 -0.12 0.06 -0.04 2.34 2.13 1zh7A1 GLU 533 HG3 -0.16 0.49 0.22 -0.04 2.34 2.85 1zh7A1 ASP 534 H 0.12 0.42 -0.36 -0.55 8.40 8.03 1zh7A1 ASP 534 HA 0.20 0.05 0.45 -0.75 4.63 4.58 1zh7A1 ASP 534 HB2 0.12 0.08 0.14 -0.04 2.71 3.01 1zh7A1 ASP 534 HB3 0.13 -0.05 0.01 -0.04 2.70 2.75 1zh7A1 TYR 535 H 0.29 0.59 -0.11 -0.55 8.29 8.52 1zh7A1 TYR 535 HA 0.20 0.01 0.46 -0.75 4.56 4.47 1zh7A1 TYR 535 HB2 0.12 0.06 0.12 -0.04 3.06 3.32 1zh7A1 TYR 535 HB3 0.17 0.13 0.23 -0.04 2.98 3.47 1zh7A1 TYR 535 HD2 0.20 0.04 -0.06 -0.04 7.15 7.29 1zh7A1 TYR 535 HE2 -0.19 -0.04 -0.06 -0.04 6.85 6.52 1zh7A1 LEU 536 H 0.32 0.71 0.00 -0.55 8.37 8.85 1zh7A1 LEU 536 HA 0.16 -0.04 0.29 -0.75 4.35 4.01 1zh7A1 LEU 536 HB2 0.27 0.03 0.04 -0.04 1.64 1.94 1zh7A1 LEU 536 HB3 0.23 0.12 0.06 -0.04 1.64 2.01 1zh7A1 LEU 536 HG 0.11 -0.01 -0.17 -0.04 1.64 1.52 1zh7A1 LEU 536 HD13 0.17 -0.02 -0.05 -0.04 0.93 0.99 1zh7A1 LEU 536 HD23 0.16 -0.01 -0.12 -0.04 0.89 0.88 1zh7A1 TYR 537 H 0.30 0.69 -0.18 -0.55 8.29 8.56 1zh7A1 TYR 537 HA 0.12 -0.02 0.36 -0.75 4.56 4.27 1zh7A1 TYR 537 HB2 0.13 0.07 0.14 -0.04 3.06 3.36 1zh7A1 TYR 537 HB3 0.14 0.08 0.14 -0.04 2.98 3.30 1zh7A1 TYR 537 HD2 0.17 -0.01 -0.04 -0.04 7.15 7.23 1zh7A1 TYR 537 HE2 0.20 -0.01 -0.01 -0.04 6.85 6.99 1zh7A1 TYR 538 H 0.25 0.52 -0.29 -0.55 8.29 8.22 1zh7A1 TYR 538 HA -0.11 0.02 0.49 -0.75 4.56 4.22 1zh7A1 TYR 538 HB2 0.06 0.00 0.13 -0.04 3.06 3.21 1zh7A1 TYR 538 HB3 -0.05 0.14 0.24 -0.04 2.98 3.26 1zh7A1 TYR 538 HD2 -0.10 0.00 -0.00 -0.04 7.15 7.01 1zh7A1 TYR 538 HE2 -0.03 -0.04 -0.02 -0.04 6.85 6.72 1zh7A1 LYS 539 H -0.15 0.57 -0.14 -0.55 8.42 8.14 1zh7A1 LYS 539 HA -0.48 0.06 0.50 -0.75 4.32 3.65 1zh7A1 LYS 539 HB2 -0.05 0.08 0.01 -0.04 1.87 1.87 1zh7A1 LYS 539 HB3 -0.08 -0.02 -0.03 -0.04 1.79 1.62 1zh7A1 LYS 539 HG2 -0.79 0.25 -0.01 -0.04 1.46 0.87 1zh7A1 LYS 539 HG3 -1.02 -0.11 -0.09 -0.04 1.46 0.19 1zh7A1 LYS 539 HD2 -0.45 0.06 -0.05 -0.04 1.69 1.21 1zh7A1 LYS 539 HD3 -0.55 -0.09 -0.04 -0.04 1.68 0.96 1zh7A1 LYS 539 HE2 -0.97 -0.07 0.00 -0.04 2.99 1.92 1zh7A1 LYS 539 HE3 -0.25 0.09 0.04 -0.04 2.99 2.82 1zh7A1 HIS 540 H -0.01 0.44 -0.31 -0.55 8.41 7.98 1zh7A1 HIS 540 HA -0.07 -0.00 0.48 -0.75 4.63 4.29 1zh7A1 HIS 540 HB2 -0.02 -0.05 -0.02 -0.04 3.26 3.13 1zh7A1 HIS 540 HB3 -0.08 0.15 0.09 -0.04 3.20 3.32 1zh7A1 HIS 540 HD2 0.09 0.06 -0.14 -0.04 6.97 6.93 1zh7A1 HIS 540 HE1 0.08 -0.02 -0.03 -0.04 7.75 7.73 1zh7A1 VAL 541 H -0.25 0.43 -0.17 -0.55 8.24 7.70 1zh7A1 VAL 541 HA -0.27 0.04 0.41 -0.75 4.13 3.55 1zh7A1 VAL 541 HB -0.25 0.09 0.08 -0.04 2.12 2.01 1zh7A1 VAL 541 HG13 -0.12 -0.02 0.11 -0.04 0.97 0.90 1zh7A1 VAL 541 HG23 -0.54 0.10 0.09 -0.04 0.95 0.56 1zh7A1 ASN 542 H -0.24 0.11 -1.09 -0.55 8.53 6.76 1zh7A1 ASN 542 HA -0.15 0.16 0.68 -0.75 4.76 4.69 1zh7A1 ASN 542 HB2 -0.17 -0.05 0.21 -0.04 2.88 2.83 1zh7A1 ASN 542 HB3 -0.14 0.01 0.07 -0.04 2.79 2.70 1zh7A1 ASN 542 HD21 -0.95 0.11 0.02 -0.04 7.03 6.17 1zh7A1 ASN 542 HD22 -0.36 -0.09 0.04 -0.04 7.74 7.28 1zh7A1 GLY 543 H -0.17 0.28 -0.03 -0.55 8.43 7.96 1zh7A1 GLY 543 HA2 -0.08 0.09 0.37 -0.51 4.01 3.89 1zh7A1 GLY 543 HA3 -0.06 0.00 0.33 -0.51 4.01 3.76 1zh7A1 ASP 544 H -0.09 0.36 -0.47 -0.55 8.40 7.66 1zh7A1 ASP 544 HA 0.00 0.11 0.80 -0.75 4.63 4.79 1zh7A1 ASP 544 HB2 -0.12 0.21 0.16 -0.04 2.71 2.91 1zh7A1 ASP 544 HB3 -0.00 -0.17 0.19 -0.04 2.70 2.68 1zh7A1 VAL 545 H 0.02 0.25 -0.53 -0.55 8.24 7.43 1zh7A1 VAL 545 HA 0.02 0.08 0.62 -0.75 4.13 4.10 1zh7A1 VAL 545 HB 0.17 0.01 -0.15 -0.04 2.12 2.11 1zh7A1 VAL 545 HG13 -0.01 -0.02 -0.12 -0.04 0.97 0.78 1zh7A1 VAL 545 HG23 0.12 0.05 -0.52 -0.04 0.95 0.56 1zh7A1 PRO 546 HA 0.06 0.10 0.33 -0.51 4.44 4.42 1zh7A1 PRO 546 HB2 0.07 0.04 0.17 -0.04 2.28 2.53 1zh7A1 PRO 546 HB3 0.03 0.08 0.11 -0.04 2.02 2.20 1zh7A1 PRO 546 HG2 0.01 -0.08 -0.03 -0.04 2.03 1.89 1zh7A1 PRO 546 HG3 -0.01 0.12 0.05 -0.04 2.03 2.15 1zh7A1 PRO 546 HD2 -0.05 0.04 0.10 -0.04 3.68 3.73 1zh7A1 PRO 546 HD3 -0.02 0.11 0.09 -0.04 3.65 3.80 1zh7A1 TYR 547 H 0.10 0.27 0.04 -0.55 8.29 8.15 1zh7A1 TYR 547 HA 0.05 0.08 0.34 -0.75 4.56 4.27 1zh7A1 TYR 547 HB2 0.04 0.26 -0.01 -0.04 3.06 3.31 1zh7A1 TYR 547 HB3 0.03 -0.02 -0.04 -0.04 2.98 2.90 1zh7A1 TYR 547 HD2 0.05 0.07 -0.07 -0.04 7.15 7.17 1zh7A1 TYR 547 HE2 0.04 0.03 -0.02 -0.04 6.85 6.86 1zh7A1 ASN 548 H -0.63 0.23 -0.13 -0.55 8.53 7.45 1zh7A1 ASN 548 HA -0.12 0.22 0.70 -0.75 4.76 4.81 1zh7A1 ASN 548 HB2 -0.19 -0.19 0.23 -0.04 2.88 2.69 1zh7A1 ASN 548 HB3 -0.08 0.06 0.16 -0.04 2.79 2.89 1zh7A1 ASN 548 HD21 -0.03 -0.01 -0.24 -0.04 7.03 6.72 1zh7A1 ASN 548 HD22 -0.01 0.07 -0.03 -0.04 7.74 7.73 1zh7A1 ASN 549 H -0.42 0.29 0.01 -0.55 8.53 7.86 1zh7A1 ASN 549 HA -0.43 0.08 0.31 -0.75 4.76 3.96 1zh7A1 ASN 549 HB2 0.04 0.07 0.06 -0.04 2.88 3.00 1zh7A1 ASN 549 HB3 0.21 0.05 0.10 -0.04 2.79 3.11 1zh7A1 ASN 549 HD21 0.22 0.03 -0.08 -0.04 7.03 7.16 1zh7A1 ASN 549 HD22 0.04 0.03 -0.16 -0.04 7.74 7.61 1zh7A1 LEU 550 H -0.12 -0.04 -0.64 -0.55 8.37 7.02 1zh7A1 LEU 550 HA -0.29 0.18 0.73 -0.75 4.35 4.22 1zh7A1 LEU 550 HB2 -0.26 -0.03 0.04 -0.04 1.64 1.36 1zh7A1 LEU 550 HB3 -0.33 0.05 -0.03 -0.04 1.64 1.30 1zh7A1 LEU 550 HG -0.70 0.01 -0.04 -0.04 1.64 0.88 1zh7A1 LEU 550 HD13 -1.12 0.01 -0.09 -0.04 0.93 -0.31 1zh7A1 LEU 550 HD23 -0.36 0.01 0.04 -0.04 0.89 0.54 1zh7A1 LEU 551 H -0.20 0.02 0.06 -0.55 8.37 7.70 1zh7A1 LEU 551 HA -0.33 0.07 0.37 -0.75 4.35 3.72 1zh7A1 LEU 551 HB2 -0.14 -0.06 0.18 -0.04 1.64 1.59 1zh7A1 LEU 551 HB3 -0.18 0.02 0.00 -0.04 1.64 1.44 1zh7A1 LEU 551 HG -0.00 -0.01 -0.06 -0.04 1.64 1.53 1zh7A1 LEU 551 HD13 -0.02 0.01 -0.05 -0.04 0.93 0.82 1zh7A1 LEU 551 HD23 0.11 0.01 -0.06 -0.04 0.89 0.91 1zh7A1 ILE 552 H -0.34 0.31 -0.07 -0.55 8.25 7.60 1zh7A1 ILE 552 HA -0.48 0.06 0.28 -0.75 4.18 3.28 1zh7A1 ILE 552 HB -0.39 -0.05 -0.09 -0.04 1.89 1.31 1zh7A1 ILE 552 HG12 -0.44 0.04 -0.09 -0.04 1.49 0.96 1zh7A1 ILE 552 HG13 -0.99 0.07 -0.07 -0.04 1.21 0.18 1zh7A1 ILE 552 HG23 -0.23 0.03 -0.29 -0.04 0.93 0.40 1zh7A1 ILE 552 HD13 -0.28 -0.03 -0.15 -0.04 0.88 0.38 1zh7A1 GLU 553 H -0.31 0.21 -0.46 -0.55 8.60 7.49 1zh7A1 GLU 553 HA -0.13 0.04 0.34 -0.75 4.29 3.79 1zh7A1 GLU 553 HB2 -0.15 0.13 0.22 -0.04 2.09 2.24 1zh7A1 GLU 553 HB3 -0.26 -0.03 0.26 -0.04 1.99 1.92 1zh7A1 GLU 553 HG2 -0.18 0.00 -0.28 -0.04 2.34 1.84 1zh7A1 GLU 553 HG3 -0.09 -0.02 -0.02 -0.04 2.34 2.17 1zh7A1 MET 554 H -0.52 0.53 -0.09 -0.55 8.47 7.84 1zh7A1 MET 554 HA -0.54 -0.01 0.36 -0.75 4.52 3.58 1zh7A1 MET 554 HB2 -1.72 0.14 0.17 -0.04 2.15 0.70 1zh7A1 MET 554 HB3 -2.64 -0.09 0.03 -0.04 2.03 -0.70 1zh7A1 MET 554 HG2 -0.58 0.32 0.17 -0.04 2.63 2.49 1zh7A1 MET 554 HG3 -0.69 -0.11 0.00 -0.04 2.56 1.72 1zh7A1 MET 554 HE3 -0.10 -0.01 -0.07 -0.04 2.10 1.88 1zh7A1 LEU 555 H -0.68 0.51 -0.25 -0.55 8.37 7.42 1zh7A1 LEU 555 HA 0.14 -0.07 0.38 -0.75 4.35 4.05 1zh7A1 LEU 555 HB2 -0.21 0.01 0.05 -0.04 1.64 1.45 1zh7A1 LEU 555 HB3 -0.49 0.16 0.08 -0.04 1.64 1.35 1zh7A1 LEU 555 HG 0.01 0.03 -0.05 -0.04 1.64 1.58 1zh7A1 LEU 555 HD13 0.30 0.00 0.10 -0.04 0.93 1.29 1zh7A1 LEU 555 HD23 0.02 -0.03 -0.14 -0.04 0.89 0.69 1zh7A1 HIS 556 H -0.21 0.64 -0.43 -0.55 8.41 7.87 1zh7A1 HIS 556 HA -0.02 0.10 0.81 -0.75 4.63 4.76 1zh7A1 HIS 556 HB2 -0.06 0.07 0.09 -0.04 3.26 3.33 1zh7A1 HIS 556 HB3 -0.01 -0.05 0.14 -0.04 3.20 3.24 1zh7A1 HIS 556 HD2 -0.01 -0.07 -0.12 -0.04 6.97 6.73 1zh7A1 HIS 556 HE1 0.42 -0.01 -0.07 -0.04 7.75 8.04 1zh7A1 ALA 557 H -0.00 0.46 -0.21 -0.55 8.40 8.11 1zh7A1 ALA 557 HA 0.00 0.04 0.47 -0.75 4.34 4.10 1zh7A1 ALA 557 HB3 0.02 -0.02 0.13 -0.04 1.41 1.50 1zh7A1 LYS 558 H 0.06 0.05 -0.16 -0.55 8.42 7.82 1zh7A1 LYS 558 HA 0.02 0.20 0.78 -0.75 4.32 4.57 1zh7A1 LYS 558 HB2 0.06 0.03 0.04 -0.04 1.87 1.95 1zh7A1 LYS 558 HB3 0.03 -0.17 0.09 -0.04 1.79 1.69 1zh7A1 LYS 558 HG2 0.02 -0.03 0.00 -0.04 1.46 1.42 1zh7A1 LYS 558 HG3 0.02 -0.01 0.04 -0.04 1.46 1.47 1zh7A1 LYS 558 HD2 0.02 0.21 -0.04 -0.04 1.69 1.84 1zh7A1 LYS 558 HD3 0.04 -0.01 -0.14 -0.04 1.68 1.53 1zh7A1 LYS 558 HE2 0.02 -0.03 -0.01 -0.04 2.99 2.94 1zh7A1 LYS 558 HE3 0.01 -0.02 0.01 -0.04 2.99 2.95 1zh7A1 ARG 559 H 0.03 0.09 0.12 -0.55 8.46 8.15 1zh7A1 ARG 559 HA -0.07 0.04 0.34 -0.75 4.34 3.90 1zh7A1 ARG 559 HB2 0.03 0.06 -0.52 -0.04 1.90 1.43 1zh7A1 ARG 559 HB3 -0.07 0.01 0.17 -0.04 1.80 1.87 1zh7A1 ARG 559 HG2 0.18 0.23 0.09 -0.04 1.67 2.13 1zh7A1 ARG 559 HG3 0.06 -0.03 0.02 -0.04 1.67 1.68 1zh7A1 ARG 559 HD2 -1.35 -0.04 0.04 -0.04 3.22 1.83 1zh7A1 ARG 559 HD3 -0.73 -0.02 0.15 -0.04 3.22 2.57 1zh7A1 ALA 560 H -0.02 -0.00 -0.25 -0.55 8.40 7.58 1zh7A1 ALA 560 HA -0.04 0.13 0.31 -0.75 4.34 3.99 1zh7A1 ALA 560 HB3 -0.02 0.06 -0.10 -0.04 1.41 1.32