============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 9 1.000 92.730 62.875 29.773 -99.200 -91.000 TYR 10 0.840 95.776 66.507 33.471 -99.200 -91.000 TRP 40 1.040 85.835 65.219 28.490 -99.200 -91.000 TRP6 40 1.020 85.690 62.989 29.258 -99.200 -91.000 HIS 62 0.900 89.661 59.521 25.213 -99.200 -91.000 PHE 92 1.000 93.898 48.380 16.804 -99.200 -91.000 TYR 94 0.840 92.160 53.255 12.157 -99.200 -91.000 PHE 95 1.000 96.178 59.429 15.716 -99.200 -91.000 TYR 128 0.840 104.755 66.471 20.292 -99.200 -91.000 HIS 130 0.900 98.147 65.768 18.888 -99.200 -91.000 HIS 134 0.900 82.298 63.460 17.885 -99.200 -91.000 TYR 140 0.840 80.083 60.206 16.901 -99.200 -91.000 TYR 157 0.840 76.677 52.950 3.442 -99.200 -91.000 PHE 162 1.000 74.532 47.254 -5.301 -99.200 -91.000 HIS 164 0.900 66.179 49.214 -0.411 -99.200 -91.000 PHE 165 1.000 72.576 42.869 5.679 -99.200 -91.000 PHE 176 1.000 70.999 44.926 14.043 -99.200 -91.000 TYR 178 0.840 77.422 43.873 8.663 -99.200 -91.000 PHE 179 1.000 81.519 38.292 13.424 -99.200 -91.000 TRP 186 1.040 83.602 43.507 0.489 -99.200 -91.000 TRP6 186 1.020 82.502 41.444 0.074 -99.200 -91.000 TYR 193 0.840 86.445 33.425 -5.297 -99.200 -91.000 HIS 197 0.900 84.529 42.914 -6.467 -99.200 -91.000 PHE 201 1.000 80.756 45.573 -4.247 -99.200 -91.000 PHE 205 1.000 73.761 38.756 -10.859 -99.200 -91.000 TYR 207 0.840 68.578 34.707 -3.079 -99.200 -91.000 HIS 208 0.900 73.005 35.145 -6.550 -99.200 -91.000 HIS 216 0.900 80.021 38.241 5.807 -99.200 -91.000 TYR 224 0.840 77.000 37.032 21.122 -99.200 -91.000 PHE 232 1.000 79.803 33.120 24.675 -99.200 -91.000 PHE 244 1.000 66.409 38.679 8.478 -99.200 -91.000 TYR 259 0.840 90.731 39.440 20.317 -99.200 -91.000 TRP 263 1.040 82.349 30.665 7.838 -99.200 -91.000 TRP6 263 1.020 82.538 30.814 5.485 -99.200 -91.000 TYR 265 0.840 87.828 22.108 5.719 -99.200 -91.000 TYR 271 0.840 93.225 46.642 9.735 -99.200 -91.000 HIS 283 0.900 83.623 41.933 16.700 -99.200 -91.000 TYR 287 0.840 88.705 36.479 1.043 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1o70A1 ALA 328 HA 0.02 0.02 0.24 -0.75 4.34 3.87 1o70A1 ALA 328 HB3 0.03 -0.06 0.08 -0.04 1.41 1.42 1o70A1 GLU 329 H 0.02 0.17 0.04 -0.55 8.60 8.28 1o70A1 GLU 329 HA 0.01 0.03 0.35 -0.75 4.29 3.93 1o70A1 GLU 329 HB2 0.01 0.05 -0.07 -0.04 2.09 2.04 1o70A1 GLU 329 HB3 0.01 0.15 0.01 -0.04 1.99 2.12 1o70A1 GLU 329 HG2 0.01 0.01 -0.22 -0.04 2.34 2.10 1o70A1 GLU 329 HG3 0.01 -0.01 -0.05 -0.04 2.34 2.25 1o70A1 ASN 330 H 0.02 0.61 0.45 -0.55 8.53 9.06 1o70A1 ASN 330 HA 0.02 0.08 0.42 -0.75 4.76 4.52 1o70A1 ASN 330 HB2 0.02 0.07 0.22 -0.04 2.88 3.14 1o70A1 ASN 330 HB3 0.02 0.01 0.00 -0.04 2.79 2.78 1o70A1 ASN 330 HD21 0.01 0.01 0.05 -0.04 7.03 7.06 1o70A1 ASN 330 HD22 0.01 0.02 0.08 -0.04 7.74 7.81 1o70A1 GLY 331 H 0.02 0.20 -0.17 -0.55 8.43 7.94 1o70A1 GLY 331 HA2 0.02 0.12 0.33 -0.51 4.01 3.97 1o70A1 GLY 331 HA3 0.03 0.03 0.23 -0.51 4.01 3.78 1o70A1 ALA 332 H 0.04 -0.02 -0.51 -0.55 8.40 7.36 1o70A1 ALA 332 HA 0.12 0.08 0.30 -0.75 4.34 4.09 1o70A1 ALA 332 HB3 0.05 0.01 -0.05 -0.04 1.41 1.38 1o70A1 LEU 333 H 0.01 0.58 -0.06 -0.55 8.37 8.34 1o70A1 LEU 333 HA -0.12 0.03 0.39 -0.75 4.35 3.89 1o70A1 LEU 333 HB2 0.00 0.22 0.14 -0.04 1.64 1.97 1o70A1 LEU 333 HB3 0.02 0.00 -0.07 -0.04 1.64 1.55 1o70A1 LEU 333 HG -0.07 -0.05 0.00 -0.04 1.64 1.48 1o70A1 LEU 333 HD13 0.03 0.01 -0.04 -0.04 0.93 0.88 1o70A1 LEU 333 HD23 -0.30 -0.00 -0.01 -0.04 0.89 0.53 1o70A1 ARG 334 H 0.03 0.41 -0.21 -0.55 8.46 8.13 1o70A1 ARG 334 HA 0.17 0.05 0.41 -0.75 4.34 4.22 1o70A1 ARG 334 HB2 0.05 -0.02 0.04 -0.04 1.90 1.92 1o70A1 ARG 334 HB3 0.06 0.04 0.09 -0.04 1.80 1.95 1o70A1 ARG 334 HG2 0.02 0.09 0.11 -0.04 1.67 1.85 1o70A1 ARG 334 HG3 0.00 0.06 -0.03 -0.04 1.67 1.67 1o70A1 ARG 334 HD2 0.00 -0.02 -0.10 -0.04 3.22 3.06 1o70A1 ARG 334 HD3 0.01 -0.01 -0.04 -0.04 3.22 3.14 1o70A1 LYS 335 H -0.00 0.43 -0.26 -0.55 8.42 8.03 1o70A1 LYS 335 HA -0.15 0.01 0.43 -0.75 4.32 3.86 1o70A1 LYS 335 HB2 -0.05 0.01 0.11 -0.04 1.87 1.90 1o70A1 LYS 335 HB3 -0.01 0.19 0.15 -0.04 1.79 2.08 1o70A1 LYS 335 HG2 -0.17 -0.05 -0.06 -0.04 1.46 1.13 1o70A1 LYS 335 HG3 -0.88 0.01 -0.21 -0.04 1.46 0.34 1o70A1 LYS 335 HD2 -0.29 -0.05 0.07 -0.04 1.69 1.38 1o70A1 LYS 335 HD3 -0.14 -0.02 -0.00 -0.04 1.68 1.48 1o70A1 LYS 335 HE2 -0.18 0.00 -0.06 -0.04 2.99 2.71 1o70A1 LYS 335 HE3 -0.63 0.01 -0.04 -0.04 2.99 2.28 1o70A1 PHE 336 H 0.06 0.59 -0.08 -0.55 8.34 8.35 1o70A1 PHE 336 HA -0.14 0.03 0.37 -0.75 4.62 4.12 1o70A1 PHE 336 HB2 -0.04 0.03 0.08 -0.04 3.15 3.18 1o70A1 PHE 336 HB3 -0.43 0.11 0.13 -0.04 3.06 2.83 1o70A1 PHE 336 HD2 -0.16 0.01 -0.07 -0.04 7.28 7.02 1o70A1 PHE 336 HE2 0.03 0.03 -0.06 -0.04 7.38 7.34 1o70A1 PHE 336 HZ 0.10 0.07 -0.12 -0.04 7.32 7.33 1o70A1 TYR 337 H -0.07 0.51 -0.24 -0.55 8.29 7.94 1o70A1 TYR 337 HA -0.07 -0.00 0.40 -0.75 4.56 4.14 1o70A1 TYR 337 HB2 0.01 0.12 0.12 -0.04 3.06 3.27 1o70A1 TYR 337 HB3 -0.00 -0.05 0.01 -0.04 2.98 2.90 1o70A1 TYR 337 HD2 0.09 -0.03 -0.07 -0.04 7.15 7.09 1o70A1 TYR 337 HE2 0.13 -0.02 -0.08 -0.04 6.85 6.84 1o70A1 GLU 338 H -0.05 0.50 -0.20 -0.55 8.60 8.31 1o70A1 GLU 338 HA -0.05 -0.00 0.46 -0.75 4.29 3.94 1o70A1 GLU 338 HB2 -0.16 0.08 0.25 -0.04 2.09 2.22 1o70A1 GLU 338 HB3 -0.15 -0.04 -0.01 -0.04 1.99 1.75 1o70A1 GLU 338 HG2 -0.05 -0.04 0.04 -0.04 2.34 2.24 1o70A1 GLU 338 HG3 -0.02 0.07 0.03 -0.04 2.34 2.38 1o70A1 VAL 339 H -0.37 0.71 -0.11 -0.55 8.24 7.91 1o70A1 VAL 339 HA -0.32 -0.00 0.35 -0.75 4.13 3.40 1o70A1 VAL 339 HB -0.64 0.17 0.13 -0.04 2.12 1.74 1o70A1 VAL 339 HG13 -0.31 -0.02 -0.12 -0.04 0.97 0.48 1o70A1 VAL 339 HG23 -1.47 0.03 0.01 -0.04 0.95 -0.52 1o70A1 ILE 340 H -0.25 0.41 -0.30 -0.55 8.25 7.56 1o70A1 ILE 340 HA -0.14 -0.00 0.32 -0.75 4.18 3.61 1o70A1 ILE 340 HB -0.01 0.17 0.11 -0.04 1.89 2.12 1o70A1 ILE 340 HG12 -0.24 -0.07 -0.04 -0.04 1.49 1.09 1o70A1 ILE 340 HG13 -0.52 0.32 0.03 -0.04 1.21 1.01 1o70A1 ILE 340 HG23 -0.00 -0.04 -0.11 -0.04 0.93 0.73 1o70A1 ILE 340 HD13 0.12 -0.03 -0.13 -0.04 0.88 0.80 1o70A1 MET 341 H -0.07 0.51 -0.27 -0.55 8.47 8.09 1o70A1 MET 341 HA -0.04 -0.03 0.34 -0.75 4.52 4.04 1o70A1 MET 341 HB2 -0.06 0.18 0.21 -0.04 2.15 2.44 1o70A1 MET 341 HB3 -0.04 -0.06 0.00 -0.04 2.03 1.89 1o70A1 MET 341 HG2 -0.03 -0.06 0.01 -0.04 2.63 2.51 1o70A1 MET 341 HG3 -0.02 0.16 0.06 -0.04 2.56 2.72 1o70A1 MET 341 HE3 -0.03 -0.01 -0.02 -0.04 2.10 2.00 1o70A1 ASP 342 H -0.10 0.50 -0.08 -0.55 8.40 8.18 1o70A1 ASP 342 HA -0.05 -0.01 0.36 -0.75 4.63 4.17 1o70A1 ASP 342 HB2 -0.10 0.12 0.06 -0.04 2.71 2.75 1o70A1 ASP 342 HB3 -0.06 -0.04 0.06 -0.04 2.70 2.62 1o70A1 ASN 343 H -0.07 0.32 -0.61 -0.55 8.53 7.63 1o70A1 ASN 343 HA -0.02 0.24 1.19 -0.75 4.76 5.42 1o70A1 ASN 343 HB2 -0.04 -0.00 0.11 -0.04 2.88 2.90 1o70A1 ASN 343 HB3 -0.01 -0.01 0.21 -0.04 2.79 2.94 1o70A1 ASN 343 HD21 -0.07 0.02 -0.09 -0.04 7.03 6.85 1o70A1 ASN 343 HD22 -0.10 0.46 0.00 -0.04 7.74 8.06 1o70A1 GLY 344 H -0.02 0.36 -0.18 -0.55 8.43 8.04 1o70A1 GLY 344 HA2 -0.01 0.03 0.40 -0.51 4.01 3.91 1o70A1 GLY 344 HA3 -0.01 0.08 1.04 -0.51 4.01 4.61 1o70A1 GLY 345 H -0.01 0.19 0.02 -0.55 8.43 8.09 1o70A1 GLY 345 HA2 -0.01 0.05 0.27 -0.51 4.01 3.81 1o70A1 GLY 345 HA3 -0.01 0.28 0.84 -0.51 4.01 4.60 1o70A1 ALA 346 H 0.00 0.16 -0.07 -0.55 8.40 7.95 1o70A1 ALA 346 HA 0.01 0.10 0.36 -0.75 4.34 4.06 1o70A1 ALA 346 HB3 0.02 0.04 0.07 -0.04 1.41 1.50 1o70A1 VAL 347 H 0.02 0.05 -0.26 -0.55 8.24 7.49 1o70A1 VAL 347 HA 0.05 0.10 0.37 -0.75 4.13 3.91 1o70A1 VAL 347 HB 0.01 -0.03 0.02 -0.04 2.12 2.08 1o70A1 VAL 347 HG13 0.08 0.02 -0.19 -0.04 0.97 0.83 1o70A1 VAL 347 HG23 0.02 0.02 0.05 -0.04 0.95 1.00 1o70A1 LEU 348 H 0.03 0.18 -0.27 -0.55 8.37 7.77 1o70A1 LEU 348 HA 0.09 0.02 0.31 -0.75 4.35 4.01 1o70A1 LEU 348 HB2 0.02 -0.06 0.08 -0.04 1.64 1.65 1o70A1 LEU 348 HB3 0.01 0.17 0.06 -0.04 1.64 1.84 1o70A1 LEU 348 HG -0.05 0.01 -0.01 -0.04 1.64 1.55 1o70A1 LEU 348 HD13 -0.02 -0.00 -0.12 -0.04 0.93 0.74 1o70A1 LEU 348 HD23 -0.01 -0.02 0.01 -0.04 0.89 0.83 1o70A1 ASP 349 H 0.03 0.26 -0.45 -0.55 8.40 7.69 1o70A1 ASP 349 HA 0.02 0.04 0.37 -0.75 4.63 4.31 1o70A1 ASP 349 HB2 0.02 0.19 0.16 -0.04 2.71 3.04 1o70A1 ASP 349 HB3 0.02 -0.01 -0.04 -0.04 2.70 2.63 1o70A1 ASP 350 H 0.05 0.38 -0.06 -0.55 8.40 8.22 1o70A1 ASP 350 HA 0.04 0.05 0.41 -0.75 4.63 4.38 1o70A1 ASP 350 HB2 0.07 0.07 0.13 -0.04 2.71 2.94 1o70A1 ASP 350 HB3 0.06 0.00 0.01 -0.04 2.70 2.73 1o70A1 ILE 351 H 0.08 0.43 -0.23 -0.55 8.25 7.98 1o70A1 ILE 351 HA 0.09 0.04 0.31 -0.75 4.18 3.86 1o70A1 ILE 351 HB 0.11 0.09 0.08 -0.04 1.89 2.12 1o70A1 ILE 351 HG12 0.16 -0.03 -0.07 -0.04 1.49 1.52 1o70A1 ILE 351 HG13 0.14 0.26 -0.03 -0.04 1.21 1.55 1o70A1 ILE 351 HG23 0.13 -0.02 -0.20 -0.04 0.93 0.80 1o70A1 ILE 351 HD13 0.31 -0.03 -0.15 -0.04 0.88 0.97 1o70A1 ASN 352 H 0.05 0.49 -0.16 -0.55 8.53 8.35 1o70A1 ASN 352 HA 0.03 0.05 0.46 -0.75 4.76 4.54 1o70A1 ASN 352 HB2 0.02 0.10 0.09 -0.04 2.88 3.05 1o70A1 ASN 352 HB3 0.01 -0.05 0.09 -0.04 2.79 2.80 1o70A1 ASN 352 HD21 0.00 -0.07 -0.05 -0.04 7.03 6.88 1o70A1 ASN 352 HD22 0.02 0.05 -0.07 -0.04 7.74 7.70 1o70A1 SER 353 H 0.04 0.28 -0.69 -0.55 8.46 7.55 1o70A1 SER 353 HA 0.02 0.11 0.72 -0.75 4.49 4.59 1o70A1 SER 353 HB2 0.02 -0.10 0.12 -0.04 3.95 3.95 1o70A1 SER 353 HB3 0.03 0.14 0.07 -0.04 3.93 4.12 1o70A1 LEU 354 H 0.04 0.33 -0.47 -0.55 8.37 7.71 1o70A1 LEU 354 HA 0.03 0.09 0.89 -0.75 4.35 4.60 1o70A1 LEU 354 HB2 0.05 0.13 -0.01 -0.04 1.64 1.77 1o70A1 LEU 354 HB3 0.04 0.04 -0.09 -0.04 1.64 1.60 1o70A1 LEU 354 HG 0.05 0.27 -0.09 -0.04 1.64 1.83 1o70A1 LEU 354 HD13 0.07 -0.03 -0.08 -0.04 0.93 0.86 1o70A1 LEU 354 HD23 0.05 -0.01 -0.00 -0.04 0.89 0.88 1o70A1 THR 355 H 0.03 0.13 0.13 -0.55 8.28 8.02 1o70A1 THR 355 HA 0.02 0.10 0.46 -0.75 4.39 4.21 1o70A1 THR 355 HB 0.02 -0.02 0.06 -0.04 4.32 4.33 1o70A1 THR 355 HG23 0.02 0.01 0.03 -0.04 1.22 1.23 1o70A1 GLU 356 H 0.03 0.15 -0.10 -0.55 8.60 8.14 1o70A1 GLU 356 HA 0.02 0.35 0.76 -0.75 4.29 4.66 1o70A1 GLU 356 HB2 0.04 -0.05 -0.09 -0.04 2.09 1.95 1o70A1 GLU 356 HB3 0.04 -0.03 -0.09 -0.04 1.99 1.87 1o70A1 GLU 356 HG2 0.02 0.22 -0.19 -0.04 2.34 2.34 1o70A1 GLU 356 HG3 0.03 -0.10 -0.32 -0.04 2.34 1.90 1o70A1 VAL 357 H 0.03 0.48 0.00 -0.55 8.24 8.20 1o70A1 VAL 357 HA 0.07 0.21 0.83 -0.75 4.13 4.48 1o70A1 VAL 357 HB 0.06 0.10 -0.24 -0.04 2.12 2.00 1o70A1 VAL 357 HG13 0.04 -0.02 -0.17 -0.04 0.97 0.78 1o70A1 VAL 357 HG23 0.08 -0.02 -0.22 -0.04 0.95 0.75 1o70A1 THR 358 H 0.09 0.64 0.39 -0.55 8.28 8.85 1o70A1 THR 358 HA 0.06 0.23 1.11 -0.75 4.39 5.03 1o70A1 THR 358 HB 0.13 0.00 0.17 -0.04 4.32 4.58 1o70A1 THR 358 HG23 0.16 0.00 -0.17 -0.04 1.22 1.17 1o70A1 ILE 359 H -0.01 0.49 0.36 -0.55 8.25 8.54 1o70A1 ILE 359 HA 0.01 0.33 1.08 -0.75 4.18 4.84 1o70A1 ILE 359 HB -0.17 -0.06 0.14 -0.04 1.89 1.75 1o70A1 ILE 359 HG12 0.02 0.06 -0.14 -0.04 1.49 1.39 1o70A1 ILE 359 HG13 0.01 -0.03 -0.21 -0.04 1.21 0.93 1o70A1 ILE 359 HG23 -0.72 -0.01 -0.24 -0.04 0.93 -0.07 1o70A1 ILE 359 HD13 0.03 -0.01 -0.10 -0.04 0.88 0.76 1o70A1 LEU 360 H 0.04 0.83 0.31 -0.55 8.37 9.01 1o70A1 LEU 360 HA 0.10 0.11 0.89 -0.75 4.35 4.70 1o70A1 LEU 360 HB2 0.17 0.04 0.27 -0.04 1.64 2.08 1o70A1 LEU 360 HB3 0.13 -0.07 0.01 -0.04 1.64 1.67 1o70A1 LEU 360 HG 0.16 0.10 -0.09 -0.04 1.64 1.77 1o70A1 LEU 360 HD13 0.04 -0.01 -0.10 -0.04 0.93 0.82 1o70A1 LEU 360 HD23 0.30 -0.01 -0.20 -0.04 0.89 0.93 1o70A1 ALA 361 H -0.06 0.45 0.17 -0.55 8.40 8.41 1o70A1 ALA 361 HA -0.14 0.23 0.81 -0.75 4.34 4.48 1o70A1 ALA 361 HB3 -0.17 -0.01 -0.07 -0.04 1.41 1.11 1o70A1 PRO 362 HA -0.07 0.14 0.49 -0.51 4.44 4.49 1o70A1 PRO 362 HB2 -1.02 0.01 -0.11 -0.04 2.28 1.11 1o70A1 PRO 362 HB3 -0.51 -0.00 -0.24 -0.04 2.02 1.23 1o70A1 PRO 362 HG2 -0.98 0.05 0.02 -0.04 2.03 1.08 1o70A1 PRO 362 HG3 -0.21 0.06 0.05 -0.04 2.03 1.89 1o70A1 PRO 362 HD2 0.44 0.05 0.19 -0.04 3.68 4.32 1o70A1 PRO 362 HD3 -0.04 0.45 0.39 -0.04 3.65 4.41 1o70A1 SER 363 H -0.05 0.59 0.30 -0.55 8.46 8.75 1o70A1 SER 363 HA 0.06 0.02 0.43 -0.75 4.49 4.25 1o70A1 SER 363 HB2 0.01 -0.06 0.14 -0.04 3.95 4.01 1o70A1 SER 363 HB3 -0.01 0.15 0.08 -0.04 3.93 4.11 1o70A1 ASN 364 H 0.08 0.12 0.11 -0.55 8.53 8.30 1o70A1 ASN 364 HA 0.25 0.18 0.35 -0.75 4.76 4.79 1o70A1 ASN 364 HB2 0.05 0.00 0.00 -0.04 2.88 2.90 1o70A1 ASN 364 HB3 0.07 0.09 0.01 -0.04 2.79 2.91 1o70A1 ASN 364 HD21 0.04 0.14 -0.30 -0.04 7.03 6.87 1o70A1 ASN 364 HD22 0.03 0.05 -0.06 -0.04 7.74 7.72 1o70A1 GLU 365 H 0.03 0.06 -0.19 -0.55 8.60 7.96 1o70A1 GLU 365 HA 0.02 0.11 0.44 -0.75 4.29 4.10 1o70A1 GLU 365 HB2 -0.01 0.00 0.08 -0.04 2.09 2.13 1o70A1 GLU 365 HB3 -0.04 0.02 0.01 -0.04 1.99 1.93 1o70A1 GLU 365 HG2 -0.06 0.03 -0.02 -0.04 2.34 2.24 1o70A1 GLU 365 HG3 -0.02 0.01 0.08 -0.04 2.34 2.36 1o70A1 ALA 366 H -0.02 0.09 -0.57 -0.55 8.40 7.35 1o70A1 ALA 366 HA -0.18 0.16 0.42 -0.75 4.34 3.99 1o70A1 ALA 366 HB3 -0.22 0.02 -0.22 -0.04 1.41 0.95 1o70A1 TRP 367 H 0.20 0.30 -0.31 -0.55 7.97 7.61 1o70A1 TRP 367 HA -0.01 0.10 0.44 -0.75 4.62 4.40 1o70A1 TRP 367 HB2 -0.02 0.03 0.05 -0.04 3.23 3.26 1o70A1 TRP 367 HB3 -0.02 -0.01 0.00 -0.04 3.23 3.16 1o70A1 TRP 367 HD1 -0.00 0.05 -0.30 -0.04 7.22 6.92 1o70A1 TRP 367 HE1 0.06 0.02 -0.06 -0.04 10.20 10.17 1o70A1 TRP 367 HE3 -0.02 -0.03 0.02 -0.04 7.59 7.52 1o70A1 TRP 367 HZ2 -0.12 0.01 -0.01 -0.04 7.44 7.28 1o70A1 TRP 367 HZ3 -0.03 0.00 -0.05 -0.04 7.13 7.01 1o70A1 TRP 367 HH2 -0.12 0.02 -0.06 -0.04 7.19 6.99 1o70A1 ASN 368 H 0.10 0.14 -0.59 -0.55 8.53 7.64 1o70A1 ASN 368 HA 0.10 0.18 0.85 -0.75 4.76 5.13 1o70A1 ASN 368 HB2 0.08 0.08 0.02 -0.04 2.88 3.01 1o70A1 ASN 368 HB3 0.04 -0.00 0.12 -0.04 2.79 2.91 1o70A1 ASN 368 HD21 0.02 -0.00 -0.04 -0.04 7.03 6.97 1o70A1 ASN 368 HD22 0.02 -0.01 -0.04 -0.04 7.74 7.67 1o70A1 SER 369 H 0.00 0.54 0.14 -0.55 8.46 8.60 1o70A1 SER 369 HA -0.00 0.05 0.40 -0.75 4.49 4.18 1o70A1 SER 369 HB2 -0.05 -0.02 0.15 -0.04 3.95 3.99 1o70A1 SER 369 HB3 -0.04 -0.03 0.19 -0.04 3.93 4.01 1o70A1 SER 370 H 0.01 0.09 -0.81 -0.55 8.46 7.21 1o70A1 SER 370 HA 0.00 0.11 0.42 -0.75 4.49 4.27 1o70A1 SER 370 HB2 -0.01 0.02 0.06 -0.04 3.95 3.97 1o70A1 SER 370 HB3 -0.07 0.29 0.13 -0.04 3.93 4.24 1o70A1 ASN 371 H 0.04 0.53 -0.38 -0.55 8.53 8.17 1o70A1 ASN 371 HA 0.04 0.02 0.32 -0.75 4.76 4.39 1o70A1 ASN 371 HB2 0.03 0.18 -0.17 -0.04 2.88 2.87 1o70A1 ASN 371 HB3 0.03 -0.10 0.21 -0.04 2.79 2.89 1o70A1 ASN 371 HD21 0.01 -0.07 0.01 -0.04 7.03 6.94 1o70A1 ASN 371 HD22 0.02 0.05 -0.07 -0.04 7.74 7.70 1o70A1 ILE 372 H 0.08 0.15 -0.42 -0.55 8.25 7.51 1o70A1 ILE 372 HA 0.06 0.19 0.47 -0.75 4.18 4.14 1o70A1 ILE 372 HB 0.10 -0.10 0.10 -0.04 1.89 1.95 1o70A1 ILE 372 HG12 0.19 0.05 -0.07 -0.04 1.49 1.62 1o70A1 ILE 372 HG13 0.15 -0.05 -0.27 -0.04 1.21 1.00 1o70A1 ILE 372 HG23 0.05 0.02 -0.10 -0.04 0.93 0.87 1o70A1 ILE 372 HD13 0.39 0.01 -0.06 -0.04 0.88 1.18 1o70A1 ASN 373 H 0.05 0.17 -1.12 -0.55 8.53 7.09 1o70A1 ASN 373 HA 0.04 0.04 0.25 -0.75 4.76 4.34 1o70A1 ASN 373 HB2 0.03 0.04 -0.04 -0.04 2.88 2.86 1o70A1 ASN 373 HB3 0.02 0.01 0.03 -0.04 2.79 2.81 1o70A1 ASN 373 HD21 0.03 0.01 0.06 -0.04 7.03 7.09 1o70A1 ASN 373 HD22 0.02 0.01 0.03 -0.04 7.74 7.76 1o70A1 ASN 374 H 0.03 0.18 -0.34 -0.55 8.53 7.86 1o70A1 ASN 374 HA 0.02 0.07 0.40 -0.75 4.76 4.49 1o70A1 ASN 374 HB2 0.03 -0.05 0.13 -0.04 2.88 2.94 1o70A1 ASN 374 HB3 0.02 0.02 0.02 -0.04 2.79 2.81 1o70A1 ASN 374 HD21 0.02 0.03 0.07 -0.04 7.03 7.11 1o70A1 ASN 374 HD22 0.03 0.06 0.10 -0.04 7.74 7.89 1o70A1 VAL 375 H 0.04 0.15 -0.00 -0.55 8.24 7.87 1o70A1 VAL 375 HA 0.03 0.05 0.55 -0.75 4.13 4.01 1o70A1 VAL 375 HB 0.05 -0.04 0.04 -0.04 2.12 2.13 1o70A1 VAL 375 HG13 0.03 0.01 0.04 -0.04 0.97 1.01 1o70A1 VAL 375 HG23 0.06 0.03 0.01 -0.04 0.95 1.01 1o70A1 LEU 376 H 0.06 0.73 -0.26 -0.55 8.37 8.35 1o70A1 LEU 376 HA 0.07 -0.00 0.28 -0.75 4.35 3.95 1o70A1 LEU 376 HB2 0.09 0.01 -0.14 -0.04 1.64 1.56 1o70A1 LEU 376 HB3 0.04 0.09 -0.06 -0.04 1.64 1.67 1o70A1 LEU 376 HG 0.00 0.01 -0.13 -0.04 1.64 1.48 1o70A1 LEU 376 HD13 0.03 -0.01 -0.01 -0.04 0.93 0.90 1o70A1 LEU 376 HD23 0.02 -0.02 -0.09 -0.04 0.89 0.76 1o70A1 ARG 377 H 0.02 0.31 -0.47 -0.55 8.46 7.77 1o70A1 ARG 377 HA 0.00 0.12 0.61 -0.75 4.34 4.32 1o70A1 ARG 377 HB2 0.01 0.11 0.07 -0.04 1.90 2.05 1o70A1 ARG 377 HB3 0.01 -0.07 0.11 -0.04 1.80 1.81 1o70A1 ARG 377 HG2 0.00 -0.05 0.00 -0.04 1.67 1.59 1o70A1 ARG 377 HG3 0.01 -0.00 -0.05 -0.04 1.67 1.58 1o70A1 ARG 377 HD2 0.01 0.10 0.08 -0.04 3.22 3.37 1o70A1 ARG 377 HD3 0.01 -0.08 0.03 -0.04 3.22 3.14 1o70A1 ASP 378 H 0.02 0.44 -0.28 -0.55 8.40 8.03 1o70A1 ASP 378 HA 0.01 0.10 0.74 -0.75 4.63 4.73 1o70A1 ASP 378 HB2 0.02 0.09 0.16 -0.04 2.71 2.93 1o70A1 ASP 378 HB3 0.03 0.04 0.32 -0.04 2.70 3.05 1o70A1 ARG 379 H 0.01 0.34 0.17 -0.55 8.46 8.42 1o70A1 ARG 379 HA 0.01 0.13 0.32 -0.75 4.34 4.03 1o70A1 ARG 379 HB2 0.00 -0.06 0.11 -0.04 1.90 1.92 1o70A1 ARG 379 HB3 -0.00 0.01 0.04 -0.04 1.80 1.80 1o70A1 ARG 379 HG2 -0.01 0.12 0.07 -0.04 1.67 1.81 1o70A1 ARG 379 HG3 -0.00 0.09 0.14 -0.04 1.67 1.85 1o70A1 ARG 379 HD2 -0.01 0.06 0.10 -0.04 3.22 3.33 1o70A1 ARG 379 HD3 -0.00 -0.06 0.07 -0.04 3.22 3.18 1o70A1 ASN 380 H 0.01 0.08 -0.22 -0.55 8.53 7.86 1o70A1 ASN 380 HA 0.02 0.12 0.48 -0.75 4.76 4.63 1o70A1 ASN 380 HB2 0.02 0.01 0.09 -0.04 2.88 2.95 1o70A1 ASN 380 HB3 0.02 -0.01 0.04 -0.04 2.79 2.80 1o70A1 ASN 380 HD21 0.02 0.01 0.01 -0.04 7.03 7.03 1o70A1 ASN 380 HD22 0.02 0.00 0.02 -0.04 7.74 7.74 1o70A1 LYS 381 H 0.02 0.18 -0.17 -0.55 8.42 7.90 1o70A1 LYS 381 HA 0.03 0.07 0.59 -0.75 4.32 4.27 1o70A1 LYS 381 HB2 0.03 0.17 0.21 -0.04 1.87 2.24 1o70A1 LYS 381 HB3 0.04 0.03 0.03 -0.04 1.79 1.85 1o70A1 LYS 381 HG2 0.02 0.01 0.03 -0.04 1.46 1.48 1o70A1 LYS 381 HG3 0.02 -0.09 0.03 -0.04 1.46 1.38 1o70A1 LYS 381 HD2 0.02 0.01 0.07 -0.04 1.69 1.75 1o70A1 LYS 381 HD3 0.02 0.04 0.04 -0.04 1.68 1.74 1o70A1 LYS 381 HE2 0.01 -0.00 0.01 -0.04 2.99 2.97 1o70A1 LYS 381 HE3 0.01 -0.03 0.01 -0.04 2.99 2.95 1o70A1 MET 382 H 0.04 0.71 0.04 -0.55 8.47 8.71 1o70A1 MET 382 HA 0.09 0.02 0.33 -0.75 4.52 4.21 1o70A1 MET 382 HB2 0.02 0.05 0.07 -0.04 2.15 2.26 1o70A1 MET 382 HB3 0.02 -0.02 -0.07 -0.04 2.03 1.93 1o70A1 MET 382 HG2 0.05 0.21 -0.05 -0.04 2.63 2.80 1o70A1 MET 382 HG3 0.02 0.13 -0.05 -0.04 2.56 2.61 1o70A1 MET 382 HE3 0.12 -0.02 -0.32 -0.04 2.10 1.85 1o70A1 ARG 383 H 0.03 0.37 -0.46 -0.55 8.46 7.85 1o70A1 ARG 383 HA 0.03 0.00 0.43 -0.75 4.34 4.05 1o70A1 ARG 383 HB2 0.02 0.21 0.19 -0.04 1.90 2.28 1o70A1 ARG 383 HB3 0.03 0.13 0.08 -0.04 1.80 2.00 1o70A1 ARG 383 HG2 0.04 -0.02 -0.07 -0.04 1.67 1.58 1o70A1 ARG 383 HG3 0.03 -0.10 0.09 -0.04 1.67 1.64 1o70A1 ARG 383 HD2 0.03 0.02 0.02 -0.04 3.22 3.24 1o70A1 ARG 383 HD3 0.02 -0.12 0.01 -0.04 3.22 3.10 1o70A1 GLN 384 H 0.05 0.32 -0.22 -0.55 8.47 8.07 1o70A1 GLN 384 HA 0.06 -0.01 0.44 -0.75 4.36 4.09 1o70A1 GLN 384 HB2 0.04 0.16 0.21 -0.04 2.15 2.52 1o70A1 GLN 384 HB3 0.04 -0.06 0.03 -0.04 2.02 1.99 1o70A1 GLN 384 HG2 0.04 -0.07 0.05 -0.04 2.40 2.38 1o70A1 GLN 384 HG3 0.04 0.26 0.17 -0.04 2.39 2.82 1o70A1 GLN 384 HE21 0.03 -0.05 -0.02 -0.04 6.97 6.88 1o70A1 GLN 384 HE22 0.03 0.09 -0.09 -0.04 7.69 7.68 1o70A1 ILE 385 H 0.08 0.58 -0.14 -0.55 8.25 8.22 1o70A1 ILE 385 HA 0.10 0.02 0.38 -0.75 4.18 3.93 1o70A1 ILE 385 HB 0.14 0.05 0.12 -0.04 1.89 2.16 1o70A1 ILE 385 HG12 0.06 0.03 -0.01 -0.04 1.49 1.53 1o70A1 ILE 385 HG13 0.07 0.07 -0.03 -0.04 1.21 1.27 1o70A1 ILE 385 HG23 0.18 0.04 -0.19 -0.04 0.93 0.92 1o70A1 ILE 385 HD13 0.08 -0.01 -0.14 -0.04 0.88 0.77 1o70A1 LEU 386 H 0.13 0.81 -0.03 -0.55 8.37 8.73 1o70A1 LEU 386 HA 0.23 0.01 0.36 -0.75 4.35 4.19 1o70A1 LEU 386 HB2 0.05 0.06 0.18 -0.04 1.64 1.89 1o70A1 LEU 386 HB3 0.00 -0.09 -0.04 -0.04 1.64 1.46 1o70A1 LEU 386 HG 0.06 0.11 0.01 -0.04 1.64 1.79 1o70A1 LEU 386 HD13 -0.10 -0.02 -0.19 -0.04 0.93 0.58 1o70A1 LEU 386 HD23 -0.37 -0.03 -0.04 -0.04 0.89 0.41 1o70A1 ASN 387 H 0.12 0.69 -0.20 -0.55 8.53 8.59 1o70A1 ASN 387 HA 0.15 -0.00 0.34 -0.75 4.76 4.49 1o70A1 ASN 387 HB2 0.08 0.11 0.08 -0.04 2.88 3.12 1o70A1 ASN 387 HB3 0.09 -0.17 -0.20 -0.04 2.79 2.47 1o70A1 ASN 387 HD21 0.07 -0.09 -0.01 -0.04 7.03 6.96 1o70A1 ASN 387 HD22 0.11 -0.05 -0.01 -0.04 7.74 7.74 1o70A1 MET 388 H 0.13 0.50 -0.36 -0.55 8.47 8.19 1o70A1 MET 388 HA 0.05 0.01 0.59 -0.75 4.52 4.42 1o70A1 MET 388 HB2 -0.06 -0.07 0.04 -0.04 2.15 2.02 1o70A1 MET 388 HB3 0.00 -0.02 0.08 -0.04 2.03 2.05 1o70A1 MET 388 HG2 0.06 0.30 0.10 -0.04 2.63 3.05 1o70A1 MET 388 HG3 -0.19 -0.02 -0.27 -0.04 2.56 2.03 1o70A1 MET 388 HE3 -0.01 0.01 -0.06 -0.04 2.10 2.00 1o70A1 HIS 389 H 0.31 0.55 -0.34 -0.55 8.41 8.38 1o70A1 HIS 389 HA 0.07 0.06 0.67 -0.75 4.63 4.67 1o70A1 HIS 389 HB2 0.35 0.21 0.17 -0.04 3.26 3.95 1o70A1 HIS 389 HB3 0.14 -0.00 0.26 -0.04 3.20 3.55 1o70A1 HIS 389 HD2 0.01 0.10 0.11 -0.04 6.97 7.15 1o70A1 HIS 389 HE1 -0.08 0.25 -0.08 -0.04 7.75 7.80 1o70A1 ILE 390 H 0.18 0.31 -0.43 -0.55 8.25 7.75 1o70A1 ILE 390 HA 0.13 0.19 1.08 -0.75 4.18 4.83 1o70A1 ILE 390 HB 0.16 -0.01 0.23 -0.04 1.89 2.22 1o70A1 ILE 390 HG12 0.29 -0.02 -0.16 -0.04 1.49 1.56 1o70A1 ILE 390 HG13 0.35 0.10 -0.19 -0.04 1.21 1.43 1o70A1 ILE 390 HG23 0.13 -0.01 -0.20 -0.04 0.93 0.80 1o70A1 ILE 390 HD13 0.24 -0.03 -0.12 -0.04 0.88 0.93 1o70A1 ILE 391 H 0.12 0.72 0.30 -0.55 8.25 8.84 1o70A1 ILE 391 HA 0.11 0.20 0.68 -0.75 4.18 4.41 1o70A1 ILE 391 HB 0.13 -0.03 0.23 -0.04 1.89 2.18 1o70A1 ILE 391 HG12 0.16 0.08 -0.14 -0.04 1.49 1.55 1o70A1 ILE 391 HG13 0.14 -0.01 -0.15 -0.04 1.21 1.14 1o70A1 ILE 391 HG23 0.13 -0.00 -0.27 -0.04 0.93 0.74 1o70A1 ILE 391 HD13 0.30 -0.03 -0.15 -0.04 0.88 0.96 1o70A1 LYS 392 H 0.09 0.34 0.15 -0.55 8.42 8.44 1o70A1 LYS 392 HA 0.07 0.14 0.51 -0.75 4.32 4.29 1o70A1 LYS 392 HB2 0.06 0.02 0.12 -0.04 1.87 2.03 1o70A1 LYS 392 HB3 0.05 -0.03 0.16 -0.04 1.79 1.93 1o70A1 LYS 392 HG2 0.06 0.01 -0.04 -0.04 1.46 1.44 1o70A1 LYS 392 HG3 0.08 -0.00 -0.12 -0.04 1.46 1.37 1o70A1 LYS 392 HD2 0.07 0.01 -0.31 -0.04 1.69 1.41 1o70A1 LYS 392 HD3 0.07 0.04 -0.31 -0.04 1.68 1.43 1o70A1 LYS 392 HE2 0.05 -0.04 -0.01 -0.04 2.99 2.96 1o70A1 LYS 392 HE3 0.05 -0.02 -0.02 -0.04 2.99 2.95 1o70A1 ASP 393 H 0.08 0.63 0.03 -0.55 8.40 8.59 1o70A1 ASP 393 HA 0.06 0.04 0.27 -0.75 4.63 4.23 1o70A1 ASP 393 HB2 0.06 0.29 -0.10 -0.04 2.71 2.92 1o70A1 ASP 393 HB3 0.08 -0.07 -0.40 -0.04 2.70 2.27 1o70A1 ARG 394 H 0.07 0.20 0.02 -0.55 8.46 8.19 1o70A1 ARG 394 HA 0.14 0.11 0.69 -0.75 4.34 4.54 1o70A1 ARG 394 HB2 0.07 0.14 0.06 -0.04 1.90 2.13 1o70A1 ARG 394 HB3 0.09 -0.02 0.18 -0.04 1.80 2.01 1o70A1 ARG 394 HG2 0.39 -0.11 -0.29 -0.04 1.67 1.62 1o70A1 ARG 394 HG3 0.11 0.02 -0.09 -0.04 1.67 1.66 1o70A1 ARG 394 HD2 0.12 -0.04 -0.02 -0.04 3.22 3.24 1o70A1 ARG 394 HD3 0.16 -0.02 -0.07 -0.04 3.22 3.24 1o70A1 LEU 395 H 0.19 0.24 -0.04 -0.55 8.37 8.21 1o70A1 LEU 395 HA -0.01 0.18 1.06 -0.75 4.35 4.82 1o70A1 LEU 395 HB2 0.06 0.03 -0.05 -0.04 1.64 1.63 1o70A1 LEU 395 HB3 -0.12 -0.01 -0.19 -0.04 1.64 1.27 1o70A1 LEU 395 HG 0.06 -0.03 -0.52 -0.04 1.64 1.10 1o70A1 LEU 395 HD13 0.05 0.01 -0.19 -0.04 0.93 0.76 1o70A1 LEU 395 HD23 -0.02 0.04 -0.17 -0.04 0.89 0.70 1o70A1 ASN 396 H -0.23 0.14 0.08 -0.55 8.53 7.98 1o70A1 ASN 396 HA -0.26 0.21 0.82 -0.75 4.76 4.78 1o70A1 ASN 396 HB2 -0.54 -0.05 0.13 -0.04 2.88 2.38 1o70A1 ASN 396 HB3 -2.07 0.13 -0.06 -0.04 2.79 0.75 1o70A1 ASN 396 HD21 -0.08 0.06 -0.02 -0.04 7.03 6.94 1o70A1 ASN 396 HD22 -0.21 0.10 -0.02 -0.04 7.74 7.57 1o70A1 VAL 397 H -0.14 0.16 0.12 -0.55 8.24 7.83 1o70A1 VAL 397 HA -0.23 0.11 0.28 -0.75 4.13 3.54 1o70A1 VAL 397 HB -0.09 -0.03 0.11 -0.04 2.12 2.07 1o70A1 VAL 397 HG13 -0.08 0.03 -0.15 -0.04 0.97 0.73 1o70A1 VAL 397 HG23 -0.10 0.01 0.05 -0.04 0.95 0.87 1o70A1 ASP 398 H -0.12 0.08 -0.17 -0.55 8.40 7.64 1o70A1 ASP 398 HA -0.06 0.10 0.36 -0.75 4.63 4.28 1o70A1 ASP 398 HB2 -0.07 -0.05 0.05 -0.04 2.71 2.61 1o70A1 ASP 398 HB3 -0.04 0.08 -0.03 -0.04 2.70 2.67 1o70A1 LYS 399 H -0.12 0.04 -0.18 -0.55 8.42 7.61 1o70A1 LYS 399 HA -0.04 0.07 0.41 -0.75 4.32 4.00 1o70A1 LYS 399 HB2 -0.05 -0.04 0.12 -0.04 1.87 1.87 1o70A1 LYS 399 HB3 -0.09 -0.04 0.14 -0.04 1.79 1.75 1o70A1 LYS 399 HG2 -0.01 0.17 0.06 -0.04 1.46 1.64 1o70A1 LYS 399 HG3 -0.03 0.01 -0.10 -0.04 1.46 1.30 1o70A1 LYS 399 HD2 -0.01 -0.05 0.08 -0.04 1.69 1.66 1o70A1 LYS 399 HD3 0.00 0.01 0.04 -0.04 1.68 1.68 1o70A1 LYS 399 HE2 0.01 0.05 0.01 -0.04 2.99 3.02 1o70A1 LYS 399 HE3 0.00 -0.01 0.00 -0.04 2.99 2.94 1o70A1 ILE 400 H -0.17 0.46 -0.25 -0.55 8.25 7.75 1o70A1 ILE 400 HA -0.13 0.04 0.33 -0.75 4.18 3.67 1o70A1 ILE 400 HB -0.26 0.09 0.03 -0.04 1.89 1.71 1o70A1 ILE 400 HG12 -0.58 0.01 -0.16 -0.04 1.49 0.72 1o70A1 ILE 400 HG13 -0.33 0.09 -0.24 -0.04 1.21 0.69 1o70A1 ILE 400 HG23 -0.30 -0.00 -0.18 -0.04 0.93 0.41 1o70A1 ILE 400 HD13 -0.92 -0.02 -0.27 -0.04 0.88 -0.37 1o70A1 ARG 401 H -0.09 0.55 -0.08 -0.55 8.46 8.29 1o70A1 ARG 401 HA -0.02 0.02 0.33 -0.75 4.34 3.91 1o70A1 ARG 401 HB2 -0.05 0.10 0.20 -0.04 1.90 2.11 1o70A1 ARG 401 HB3 -0.02 -0.00 -0.08 -0.04 1.80 1.65 1o70A1 ARG 401 HG2 -0.03 -0.01 -0.00 -0.04 1.67 1.59 1o70A1 ARG 401 HG3 -0.05 -0.04 -0.04 -0.04 1.67 1.51 1o70A1 ARG 401 HD2 -0.02 -0.05 -0.03 -0.04 3.22 3.08 1o70A1 ARG 401 HD3 -0.01 0.04 -0.05 -0.04 3.22 3.15 1o70A1 GLN 402 H -0.03 0.48 -0.12 -0.55 8.47 8.25 1o70A1 GLN 402 HA -0.01 0.01 0.41 -0.75 4.36 4.02 1o70A1 GLN 402 HB2 -0.02 0.09 0.16 -0.04 2.15 2.34 1o70A1 GLN 402 HB3 -0.01 -0.04 0.02 -0.04 2.02 1.95 1o70A1 GLN 402 HG2 -0.01 -0.04 0.03 -0.04 2.40 2.34 1o70A1 GLN 402 HG3 -0.02 0.24 0.10 -0.04 2.39 2.66 1o70A1 GLN 402 HE21 -0.01 -0.03 -0.09 -0.04 6.97 6.79 1o70A1 GLN 402 HE22 -0.03 -0.03 -0.28 -0.04 7.69 7.31 1o70A1 LYS 403 H -0.01 0.59 -0.06 -0.55 8.42 8.38 1o70A1 LYS 403 HA 0.01 -0.00 0.45 -0.75 4.32 4.01 1o70A1 LYS 403 HB2 0.01 0.07 0.12 -0.04 1.87 2.03 1o70A1 LYS 403 HB3 0.03 -0.06 0.07 -0.04 1.79 1.78 1o70A1 LYS 403 HG2 0.01 -0.06 0.04 -0.04 1.46 1.40 1o70A1 LYS 403 HG3 -0.01 0.28 0.09 -0.04 1.46 1.77 1o70A1 LYS 403 HD2 0.01 -0.04 -0.06 -0.04 1.69 1.55 1o70A1 LYS 403 HD3 0.02 -0.03 -0.09 -0.04 1.68 1.54 1o70A1 LYS 403 HE2 0.03 -0.01 -0.02 -0.04 2.99 2.95 1o70A1 LYS 403 HE3 0.02 -0.01 -0.01 -0.04 2.99 2.94 1o70A1 ASN 404 H 0.02 0.41 -0.39 -0.55 8.53 8.02 1o70A1 ASN 404 HA 0.04 0.36 0.93 -0.75 4.76 5.34 1o70A1 ASN 404 HB2 0.04 0.08 0.11 -0.04 2.88 3.07 1o70A1 ASN 404 HB3 0.06 -0.05 0.16 -0.04 2.79 2.92 1o70A1 ASN 404 HD21 0.25 -0.20 0.11 -0.04 7.03 7.15 1o70A1 ASN 404 HD22 0.13 -0.09 -0.11 -0.04 7.74 7.63 1o70A1 ALA 405 H 0.01 0.39 -0.39 -0.55 8.40 7.86 1o70A1 ALA 405 HA 0.01 0.01 0.38 -0.75 4.34 3.98 1o70A1 ALA 405 HB3 0.00 -0.05 0.15 -0.04 1.41 1.47 1o70A1 ASN 406 H 0.01 0.08 -0.02 -0.55 8.53 8.05 1o70A1 ASN 406 HA -0.00 0.07 0.56 -0.75 4.76 4.64 1o70A1 ASN 406 HB2 0.00 -0.07 0.15 -0.04 2.88 2.92 1o70A1 ASN 406 HB3 -0.00 -0.02 0.03 -0.04 2.79 2.76 1o70A1 ASN 406 HD21 -0.00 -0.02 0.03 -0.04 7.03 7.00 1o70A1 ASN 406 HD22 0.00 0.01 0.05 -0.04 7.74 7.76 1o70A1 LEU 407 H 0.01 0.09 0.02 -0.55 8.37 7.94 1o70A1 LEU 407 HA -0.00 0.20 0.82 -0.75 4.35 4.62 1o70A1 LEU 407 HB2 0.00 -0.02 -0.00 -0.04 1.64 1.58 1o70A1 LEU 407 HB3 0.01 0.02 0.09 -0.04 1.64 1.71 1o70A1 LEU 407 HG -0.01 -0.03 -0.20 -0.04 1.64 1.36 1o70A1 LEU 407 HD13 -0.01 -0.00 -0.01 -0.04 0.93 0.87 1o70A1 LEU 407 HD23 -0.03 0.02 0.07 -0.04 0.89 0.91 1o70A1 ILE 408 H 0.01 0.08 0.12 -0.55 8.25 7.92 1o70A1 ILE 408 HA 0.06 0.14 0.67 -0.75 4.18 4.29 1o70A1 ILE 408 HB 0.02 -0.05 0.13 -0.04 1.89 1.94 1o70A1 ILE 408 HG12 0.04 0.10 0.02 -0.04 1.49 1.61 1o70A1 ILE 408 HG13 0.01 -0.03 0.01 -0.04 1.21 1.16 1o70A1 ILE 408 HG23 -0.11 0.01 -0.18 -0.04 0.93 0.62 1o70A1 ILE 408 HD13 -0.04 -0.02 -0.01 -0.04 0.88 0.77 1o70A1 ALA 409 H 0.09 0.17 0.11 -0.55 8.40 8.22 1o70A1 ALA 409 HA 0.01 0.09 0.67 -0.75 4.34 4.37 1o70A1 ALA 409 HB3 0.06 0.04 -0.00 -0.04 1.41 1.47 1o70A1 GLN 410 H -0.08 0.18 0.17 -0.55 8.47 8.21 1o70A1 GLN 410 HA 0.10 0.24 0.81 -0.75 4.36 4.76 1o70A1 GLN 410 HB2 -0.48 -0.03 0.18 -0.04 2.15 1.78 1o70A1 GLN 410 HB3 -1.10 0.01 0.01 -0.04 2.02 0.90 1o70A1 GLN 410 HG2 -0.23 -0.01 -0.11 -0.04 2.40 2.01 1o70A1 GLN 410 HG3 -0.22 0.05 0.00 -0.04 2.39 2.18 1o70A1 GLN 410 HE21 -0.56 0.05 0.05 -0.04 6.97 6.47 1o70A1 GLN 410 HE22 -0.60 -0.03 0.05 -0.04 7.69 7.06 1o70A1 VAL 411 H 0.19 0.75 0.32 -0.55 8.24 8.95 1o70A1 VAL 411 HA 0.08 0.17 0.74 -0.75 4.13 4.37 1o70A1 VAL 411 HB 0.21 -0.10 0.02 -0.04 2.12 2.21 1o70A1 VAL 411 HG13 0.16 0.04 -0.16 -0.04 0.97 0.96 1o70A1 VAL 411 HG23 0.26 0.03 -0.14 -0.04 0.95 1.06 1o70A1 PRO 412 HA 0.15 0.08 0.56 -0.51 4.44 4.72 1o70A1 PRO 412 HB2 0.07 0.01 0.02 -0.04 2.28 2.34 1o70A1 PRO 412 HB3 0.07 0.05 0.10 -0.04 2.02 2.20 1o70A1 PRO 412 HG2 0.03 0.02 0.09 -0.04 2.03 2.13 1o70A1 PRO 412 HG3 0.02 0.05 0.04 -0.04 2.03 2.10 1o70A1 PRO 412 HD2 0.06 0.06 0.20 -0.04 3.68 3.96 1o70A1 PRO 412 HD3 0.03 0.34 0.38 -0.04 3.65 4.36 1o70A1 THR 413 H 0.10 0.30 0.26 -0.55 8.28 8.39 1o70A1 THR 413 HA 0.09 0.13 1.03 -0.75 4.39 4.90 1o70A1 THR 413 HB 0.08 0.07 0.24 -0.04 4.32 4.67 1o70A1 THR 413 HG23 0.07 0.04 -0.19 -0.04 1.22 1.09 1o70A1 VAL 414 H 0.10 0.55 0.35 -0.55 8.24 8.68 1o70A1 VAL 414 HA 0.07 0.04 0.43 -0.75 4.13 3.92 1o70A1 VAL 414 HB 0.10 0.10 0.25 -0.04 2.12 2.53 1o70A1 VAL 414 HG13 0.07 -0.03 -0.00 -0.04 0.97 0.97 1o70A1 VAL 414 HG23 0.10 0.05 0.03 -0.04 0.95 1.08 1o70A1 ASN 415 H 0.08 0.18 -0.42 -0.55 8.53 7.82 1o70A1 ASN 415 HA 0.06 0.07 0.58 -0.75 4.76 4.72 1o70A1 ASN 415 HB2 0.06 0.02 -0.11 -0.04 2.88 2.82 1o70A1 ASN 415 HB3 0.05 0.06 0.11 -0.04 2.79 2.96 1o70A1 ASN 415 HD21 0.03 -0.05 -0.01 -0.04 7.03 6.96 1o70A1 ASN 415 HD22 0.05 0.38 0.13 -0.04 7.74 8.26 1o70A1 ASN 416 H 0.06 0.22 0.13 -0.55 8.53 8.39 1o70A1 ASN 416 HA 0.07 0.20 0.47 -0.75 4.76 4.75 1o70A1 ASN 416 HB2 0.05 -0.01 0.21 -0.04 2.88 3.09 1o70A1 ASN 416 HB3 0.05 0.08 0.10 -0.04 2.79 2.98 1o70A1 ASN 416 HD21 0.04 -0.03 0.04 -0.04 7.03 7.04 1o70A1 ASN 416 HD22 0.04 0.04 0.06 -0.04 7.74 7.84 1o70A1 ASN 417 H 0.06 0.04 -0.87 -0.55 8.53 7.21 1o70A1 ASN 417 HA 0.11 0.21 0.78 -0.75 4.76 5.10 1o70A1 ASN 417 HB2 0.05 -0.03 -0.04 -0.04 2.88 2.82 1o70A1 ASN 417 HB3 0.06 -0.03 0.11 -0.04 2.79 2.89 1o70A1 ASN 417 HD21 0.08 0.01 -0.05 -0.04 7.03 7.02 1o70A1 ASN 417 HD22 0.06 -0.01 -0.04 -0.04 7.74 7.70 1o70A1 THR 418 H 0.06 0.52 -0.00 -0.55 8.28 8.30 1o70A1 THR 418 HA -0.11 0.14 0.90 -0.75 4.39 4.57 1o70A1 THR 418 HB -0.01 -0.01 0.13 -0.04 4.32 4.39 1o70A1 THR 418 HG23 -0.12 0.01 -0.01 -0.04 1.22 1.05 1o70A1 PHE 419 H -0.49 0.16 0.20 -0.55 8.34 7.66 1o70A1 PHE 419 HA 0.01 0.25 1.00 -0.75 4.62 5.13 1o70A1 PHE 419 HB2 0.02 0.07 -0.22 -0.04 3.15 2.98 1o70A1 PHE 419 HB3 0.02 -0.03 -0.15 -0.04 3.06 2.86 1o70A1 PHE 419 HD2 0.04 0.08 -0.23 -0.04 7.28 7.12 1o70A1 PHE 419 HE2 -0.03 -0.02 -0.04 -0.04 7.38 7.26 1o70A1 PHE 419 HZ -0.24 0.21 0.16 -0.04 7.32 7.41 1o70A1 LEU 420 H 0.24 0.67 0.34 -0.55 8.37 9.08 1o70A1 LEU 420 HA -0.10 0.31 1.08 -0.75 4.35 4.89 1o70A1 LEU 420 HB2 -0.15 -0.05 -0.03 -0.04 1.64 1.37 1o70A1 LEU 420 HB3 -0.36 -0.05 0.11 -0.04 1.64 1.30 1o70A1 LEU 420 HG -0.01 0.05 -0.18 -0.04 1.64 1.47 1o70A1 LEU 420 HD13 -0.08 0.04 -0.09 -0.04 0.93 0.76 1o70A1 LEU 420 HD23 -0.17 0.05 -0.21 -0.04 0.89 0.52 1o70A1 TYR 421 H -0.50 0.36 0.38 -0.55 8.29 7.98 1o70A1 TYR 421 HA 0.07 0.17 0.59 -0.75 4.56 4.63 1o70A1 TYR 421 HB2 0.08 0.04 0.09 -0.04 3.06 3.23 1o70A1 TYR 421 HB3 0.09 0.11 -0.02 -0.04 2.98 3.12 1o70A1 TYR 421 HD2 0.11 0.10 -0.27 -0.04 7.15 7.05 1o70A1 TYR 421 HE2 0.02 -0.02 -0.12 -0.04 6.85 6.68 1o70A1 PHE 422 H 0.43 0.22 0.21 -0.55 8.34 8.66 1o70A1 PHE 422 HA -0.05 0.26 1.23 -0.75 4.62 5.30 1o70A1 PHE 422 HB2 0.01 -0.01 -0.03 -0.04 3.15 3.08 1o70A1 PHE 422 HB3 -0.03 0.05 0.09 -0.04 3.06 3.12 1o70A1 PHE 422 HD2 -0.02 0.04 -0.12 -0.04 7.28 7.13 1o70A1 PHE 422 HE2 -0.03 0.01 -0.18 -0.04 7.38 7.14 1o70A1 PHE 422 HZ 0.00 0.04 -0.17 -0.04 7.32 7.15 1o70A1 ASN 423 H 0.15 0.57 0.34 -0.55 8.53 9.04 1o70A1 ASN 423 HA 0.13 0.18 0.85 -0.75 4.76 5.17 1o70A1 ASN 423 HB2 0.12 0.01 -0.10 -0.04 2.88 2.87 1o70A1 ASN 423 HB3 0.06 -0.07 0.08 -0.04 2.79 2.82 1o70A1 ASN 423 HD21 0.04 0.01 -0.14 -0.04 7.03 6.90 1o70A1 ASN 423 HD22 0.04 -0.05 -0.13 -0.04 7.74 7.55 1o70A1 VAL 424 H 0.06 0.25 0.14 -0.55 8.24 8.14 1o70A1 VAL 424 HA 0.02 0.29 1.17 -0.75 4.13 4.87 1o70A1 VAL 424 HB 0.01 0.03 0.08 -0.04 2.12 2.21 1o70A1 VAL 424 HG13 -0.01 -0.01 -0.18 -0.04 0.97 0.73 1o70A1 VAL 424 HG23 -0.01 -0.03 -0.20 -0.04 0.95 0.68 1o70A1 ARG 425 H 0.01 0.58 0.37 -0.55 8.46 8.87 1o70A1 ARG 425 HA 0.01 0.16 0.96 -0.75 4.34 4.72 1o70A1 ARG 425 HB2 0.01 0.01 0.13 -0.04 1.90 2.01 1o70A1 ARG 425 HB3 0.01 -0.02 0.04 -0.04 1.80 1.78 1o70A1 ARG 425 HG2 0.02 0.02 -0.03 -0.04 1.67 1.63 1o70A1 ARG 425 HG3 0.02 -0.04 -0.36 -0.04 1.67 1.26 1o70A1 ARG 425 HD2 0.02 -0.00 -0.07 -0.04 3.22 3.12 1o70A1 ARG 425 HD3 0.02 0.00 -0.07 -0.04 3.22 3.13 1o70A1 GLY 426 H 0.01 0.10 0.12 -0.55 8.43 8.10 1o70A1 GLY 426 HA2 0.00 0.01 0.30 -0.51 4.01 3.81 1o70A1 GLY 426 HA3 0.00 0.15 0.26 -0.51 4.01 3.90 1o70A1 GLU 427 H -0.00 0.19 0.10 -0.55 8.60 8.33 1o70A1 GLU 427 HA -0.01 0.23 0.68 -0.75 4.29 4.44 1o70A1 GLU 427 HB2 -0.00 -0.01 -0.04 -0.04 2.09 2.00 1o70A1 GLU 427 HB3 -0.01 -0.07 0.13 -0.04 1.99 2.00 1o70A1 GLU 427 HG2 -0.00 0.02 -0.09 -0.04 2.34 2.22 1o70A1 GLU 427 HG3 -0.00 0.21 -0.24 -0.04 2.34 2.27 1o70A1 GLY 428 H -0.01 0.16 0.13 -0.55 8.43 8.17 1o70A1 GLY 428 HA2 -0.00 0.08 0.36 -0.51 4.01 3.94 1o70A1 GLY 428 HA3 -0.00 0.04 0.45 -0.51 4.01 3.99 1o70A1 SER 429 H -0.00 0.15 0.22 -0.55 8.46 8.29 1o70A1 SER 429 HA 0.00 0.13 0.54 -0.75 4.49 4.41 1o70A1 SER 429 HB2 0.00 0.01 0.10 -0.04 3.95 4.02 1o70A1 SER 429 HB3 0.00 0.05 0.17 -0.04 3.93 4.12 1o70A1 ASP 430 H -0.00 0.35 -0.31 -0.55 8.40 7.89 1o70A1 ASP 430 HA 0.00 0.20 0.78 -0.75 4.63 4.86 1o70A1 ASP 430 HB2 0.00 0.08 0.12 -0.04 2.71 2.88 1o70A1 ASP 430 HB3 0.00 -0.04 0.08 -0.04 2.70 2.71 1o70A1 THR 431 H -0.00 0.18 -0.52 -0.55 8.28 7.39 1o70A1 THR 431 HA -0.00 0.25 0.25 -0.75 4.39 4.13 1o70A1 THR 431 HB -0.01 -0.02 -0.06 -0.04 4.32 4.19 1o70A1 THR 431 HG23 -0.02 -0.01 -0.22 -0.04 1.22 0.94 1o70A1 VAL 432 H 0.00 0.62 0.31 -0.55 8.24 8.63 1o70A1 VAL 432 HA 0.00 0.17 0.92 -0.75 4.13 4.46 1o70A1 VAL 432 HB 0.01 -0.06 0.14 -0.04 2.12 2.16 1o70A1 VAL 432 HG13 0.01 -0.02 -0.18 -0.04 0.97 0.75 1o70A1 VAL 432 HG23 0.01 0.06 -0.12 -0.04 0.95 0.86 1o70A1 ILE 433 H 0.00 0.26 0.16 -0.55 8.25 8.12 1o70A1 ILE 433 HA 0.03 0.38 1.21 -0.75 4.18 5.04 1o70A1 ILE 433 HB -0.02 -0.06 0.14 -0.04 1.89 1.91 1o70A1 ILE 433 HG12 -0.05 0.05 -0.09 -0.04 1.49 1.36 1o70A1 ILE 433 HG13 -0.02 -0.07 -0.38 -0.04 1.21 0.70 1o70A1 ILE 433 HG23 0.02 0.00 -0.13 -0.04 0.93 0.78 1o70A1 ILE 433 HD13 -0.10 -0.02 -0.07 -0.04 0.88 0.66 1o70A1 THR 434 H 0.06 0.60 0.40 -0.55 8.28 8.79 1o70A1 THR 434 HA 0.02 0.20 1.17 -0.75 4.39 5.02 1o70A1 THR 434 HB -0.03 0.05 0.04 -0.04 4.32 4.34 1o70A1 THR 434 HG23 0.01 -0.03 -0.21 -0.04 1.22 0.96 1o70A1 VAL 435 H -0.09 0.67 0.40 -0.55 8.24 8.68 1o70A1 VAL 435 HA -0.44 0.26 1.08 -0.75 4.13 4.28 1o70A1 VAL 435 HB -0.35 -0.03 -0.14 -0.04 2.12 1.55 1o70A1 VAL 435 HG13 -0.12 0.01 -0.09 -0.04 0.97 0.72 1o70A1 VAL 435 HG23 -0.70 0.02 -0.13 -0.04 0.95 0.10 1o70A1 GLU 436 H -0.68 0.56 0.35 -0.55 8.60 8.29 1o70A1 GLU 436 HA -0.30 0.35 1.15 -0.75 4.29 4.73 1o70A1 GLU 436 HB2 -0.39 -0.02 -0.07 -0.04 2.09 1.57 1o70A1 GLU 436 HB3 -1.32 0.01 0.11 -0.04 1.99 0.75 1o70A1 GLU 436 HG2 -0.10 -0.04 -0.12 -0.04 2.34 2.04 1o70A1 GLU 436 HG3 -0.28 -0.02 -0.38 -0.04 2.34 1.62 1o70A1 GLY 437 H -0.24 0.80 0.29 -0.55 8.43 8.74 1o70A1 GLY 437 HA2 -0.25 0.18 0.71 -0.51 4.01 4.13 1o70A1 GLY 437 HA3 -0.24 0.10 0.33 -0.51 4.01 3.68 1o70A1 GLY 438 H -0.21 0.31 0.22 -0.55 8.43 8.21 1o70A1 GLY 438 HA2 -0.13 0.16 0.46 -0.51 4.01 3.99 1o70A1 GLY 438 HA3 -0.12 0.02 0.47 -0.51 4.01 3.87 1o70A1 GLY 439 H -0.16 0.06 -0.26 -0.55 8.43 7.52 1o70A1 GLY 439 HA2 -0.15 -0.05 0.19 -0.51 4.01 3.49 1o70A1 GLY 439 HA3 -0.14 0.34 0.45 -0.51 4.01 4.15 1o70A1 VAL 440 H -0.16 0.55 -0.40 -0.55 8.24 7.68 1o70A1 VAL 440 HA -0.22 0.23 1.11 -0.75 4.13 4.49 1o70A1 VAL 440 HB -0.09 -0.01 0.00 -0.04 2.12 1.98 1o70A1 VAL 440 HG13 0.10 -0.02 -0.50 -0.04 0.97 0.51 1o70A1 VAL 440 HG23 -0.03 0.08 -0.34 -0.04 0.95 0.62 1o70A1 ASN 441 H -0.15 0.23 0.10 -0.55 8.53 8.16 1o70A1 ASN 441 HA -0.14 0.34 1.02 -0.75 4.76 5.23 1o70A1 ASN 441 HB2 -0.12 -0.02 -0.04 -0.04 2.88 2.65 1o70A1 ASN 441 HB3 -0.08 -0.01 0.12 -0.04 2.79 2.77 1o70A1 ASN 441 HD21 -0.04 -0.02 -0.09 -0.04 7.03 6.84 1o70A1 ASN 441 HD22 -0.07 -0.03 -0.08 -0.04 7.74 7.52 1o70A1 ALA 442 H -0.08 0.66 0.32 -0.55 8.40 8.76 1o70A1 ALA 442 HA 0.12 0.21 0.97 -0.75 4.34 4.89 1o70A1 ALA 442 HB3 0.04 -0.04 -0.08 -0.04 1.41 1.30 1o70A1 THR 443 H 0.08 0.09 0.21 -0.55 8.28 8.11 1o70A1 THR 443 HA 0.02 0.27 1.07 -0.75 4.39 5.00 1o70A1 THR 443 HB 0.03 -0.08 0.10 -0.04 4.32 4.32 1o70A1 THR 443 HG23 0.01 0.04 -0.12 -0.04 1.22 1.11 1o70A1 VAL 444 H 0.02 0.84 0.36 -0.55 8.24 8.92 1o70A1 VAL 444 HA 0.04 0.17 0.68 -0.75 4.13 4.27 1o70A1 VAL 444 HB -0.00 -0.00 0.21 -0.04 2.12 2.28 1o70A1 VAL 444 HG13 0.01 -0.06 -0.19 -0.04 0.97 0.69 1o70A1 VAL 444 HG23 0.02 0.01 -0.17 -0.04 0.95 0.77 1o70A1 ILE 445 H 0.02 0.63 0.37 -0.55 8.25 8.72 1o70A1 ILE 445 HA 0.01 0.19 0.78 -0.75 4.18 4.41 1o70A1 ILE 445 HB 0.00 0.01 0.17 -0.04 1.89 2.02 1o70A1 ILE 445 HG12 0.01 0.10 -0.19 -0.04 1.49 1.37 1o70A1 ILE 445 HG13 0.01 0.01 -0.25 -0.04 1.21 0.94 1o70A1 ILE 445 HG23 -0.01 0.02 -0.06 -0.04 0.93 0.83 1o70A1 ILE 445 HD13 -0.01 -0.03 -0.06 -0.04 0.88 0.74 1o70A1 GLN 446 H 0.04 0.19 -0.15 -0.55 8.47 8.00 1o70A1 GLN 446 HA 0.03 0.09 0.49 -0.75 4.36 4.22 1o70A1 GLN 446 HB2 0.02 0.25 0.09 -0.04 2.15 2.47 1o70A1 GLN 446 HB3 0.03 -0.16 0.01 -0.04 2.02 1.85 1o70A1 GLN 446 HG2 0.03 -0.11 -0.09 -0.04 2.40 2.18 1o70A1 GLN 446 HG3 0.04 0.11 -0.11 -0.04 2.39 2.39 1o70A1 GLN 446 HE21 0.02 0.02 -0.05 -0.04 6.97 6.92 1o70A1 GLN 446 HE22 0.02 -0.05 -0.05 -0.04 7.69 7.56 1o70A1 ALA 447 H 0.06 0.23 0.14 -0.55 8.40 8.28 1o70A1 ALA 447 HA 0.35 0.22 1.19 -0.75 4.34 5.35 1o70A1 ALA 447 HB3 0.07 -0.01 0.03 -0.04 1.41 1.46 1o70A1 ASP 448 H 0.35 0.09 0.18 -0.55 8.40 8.47 1o70A1 ASP 448 HA 0.02 -0.00 0.35 -0.75 4.63 4.25 1o70A1 ASP 448 HB2 0.05 0.15 -0.16 -0.04 2.71 2.70 1o70A1 ASP 448 HB3 0.06 0.04 0.22 -0.04 2.70 2.98 1o70A1 VAL 449 H -0.07 0.48 0.00 -0.55 8.24 8.11 1o70A1 VAL 449 HA 0.03 0.09 0.72 -0.75 4.13 4.21 1o70A1 VAL 449 HB -0.05 0.01 0.19 -0.04 2.12 2.23 1o70A1 VAL 449 HG13 -0.01 0.02 -0.07 -0.04 0.97 0.87 1o70A1 VAL 449 HG23 0.01 -0.02 -0.10 -0.04 0.95 0.80 1o70A1 ALA 450 H 0.03 0.14 0.19 -0.55 8.40 8.21 1o70A1 ALA 450 HA -0.17 0.07 0.41 -0.75 4.34 3.90 1o70A1 ALA 450 HB3 -0.04 0.01 0.11 -0.04 1.41 1.44 1o70A1 GLN 451 H -0.31 0.49 0.32 -0.55 8.47 8.42 1o70A1 GLN 451 HA -0.07 0.12 0.61 -0.75 4.36 4.26 1o70A1 GLN 451 HB2 -0.14 -0.03 -0.46 -0.04 2.15 1.48 1o70A1 GLN 451 HB3 -0.05 -0.11 -0.01 -0.04 2.02 1.81 1o70A1 GLN 451 HG2 -0.07 0.15 -0.68 -0.04 2.40 1.76 1o70A1 GLN 451 HG3 -0.05 0.03 -0.36 -0.04 2.39 1.97 1o70A1 GLN 451 HE21 0.01 -0.11 -0.01 -0.04 6.97 6.83 1o70A1 GLN 451 HE22 -0.03 0.62 0.05 -0.04 7.69 8.29 1o70A1 THR 452 H -0.05 0.15 0.11 -0.55 8.28 7.94 1o70A1 THR 452 HA -0.06 0.08 0.42 -0.75 4.39 4.08 1o70A1 THR 452 HB -0.02 -0.03 0.14 -0.04 4.32 4.37 1o70A1 THR 452 HG23 -0.02 0.03 -0.09 -0.04 1.22 1.09 1o70A1 ASN 453 H -0.04 0.05 -0.07 -0.55 8.53 7.92 1o70A1 ASN 453 HA -0.04 0.26 0.92 -0.75 4.76 5.14 1o70A1 ASN 453 HB2 -0.00 -0.04 -0.02 -0.04 2.88 2.77 1o70A1 ASN 453 HB3 0.00 0.07 0.09 -0.04 2.79 2.91 1o70A1 ASN 453 HD21 -0.00 -0.01 -0.04 -0.04 7.03 6.93 1o70A1 ASN 453 HD22 0.00 -0.03 -0.05 -0.04 7.74 7.62 1o70A1 GLY 454 H -0.17 0.17 -0.46 -0.55 8.43 7.43 1o70A1 GLY 454 HA2 -0.14 -0.03 0.26 -0.51 4.01 3.59 1o70A1 GLY 454 HA3 -0.02 0.33 0.61 -0.51 4.01 4.42 1o70A1 TYR 455 H 0.08 0.31 0.31 -0.55 8.29 8.44 1o70A1 TYR 455 HA -0.10 0.30 0.82 -0.75 4.56 4.82 1o70A1 TYR 455 HB2 -0.16 0.09 -0.07 -0.04 3.06 2.87 1o70A1 TYR 455 HB3 -0.33 -0.12 0.06 -0.04 2.98 2.55 1o70A1 TYR 455 HD2 -0.04 -0.06 -0.37 -0.04 7.15 6.64 1o70A1 TYR 455 HE2 -0.01 0.03 -0.15 -0.04 6.85 6.68 1o70A1 VAL 456 H -0.14 0.35 0.29 -0.55 8.24 8.19 1o70A1 VAL 456 HA -0.13 0.32 0.95 -0.75 4.13 4.51 1o70A1 VAL 456 HB -0.08 0.03 0.06 -0.04 2.12 2.10 1o70A1 VAL 456 HG13 -0.09 -0.02 -0.15 -0.04 0.97 0.66 1o70A1 VAL 456 HG23 -0.08 -0.01 -0.15 -0.04 0.95 0.68 1o70A1 HIS 457 H -0.01 0.64 0.43 -0.55 8.41 8.93 1o70A1 HIS 457 HA 0.01 0.17 1.00 -0.75 4.63 5.06 1o70A1 HIS 457 HB2 0.05 0.01 0.04 -0.04 3.26 3.32 1o70A1 HIS 457 HB3 0.02 0.05 0.09 -0.04 3.20 3.32 1o70A1 HIS 457 HD2 0.03 0.09 -0.17 -0.04 6.97 6.88 1o70A1 HIS 457 HE1 -0.17 -0.22 0.16 -0.04 7.75 7.47 1o70A1 ILE 458 H 0.09 0.60 0.34 -0.55 8.25 8.74 1o70A1 ILE 458 HA 0.03 0.48 1.02 -0.75 4.18 4.96 1o70A1 ILE 458 HB 0.03 -0.02 0.13 -0.04 1.89 1.99 1o70A1 ILE 458 HG12 0.02 -0.33 0.05 -0.04 1.49 1.19 1o70A1 ILE 458 HG13 0.01 0.16 -0.05 -0.04 1.21 1.29 1o70A1 ILE 458 HG23 0.02 0.02 -0.10 -0.04 0.93 0.82 1o70A1 ILE 458 HD13 0.01 -0.04 -0.16 -0.04 0.88 0.66 1o70A1 ILE 459 H 0.02 0.42 0.10 -0.55 8.25 8.24 1o70A1 ILE 459 HA 0.02 0.37 1.13 -0.75 4.18 4.95 1o70A1 ILE 459 HB 0.02 -0.10 -0.02 -0.04 1.89 1.75 1o70A1 ILE 459 HG12 0.05 -0.02 -0.30 -0.04 1.49 1.18 1o70A1 ILE 459 HG13 -0.01 0.02 -0.13 -0.04 1.21 1.05 1o70A1 ILE 459 HG23 0.06 0.01 -0.34 -0.04 0.93 0.61 1o70A1 ILE 459 HD13 0.09 -0.01 -0.08 -0.04 0.88 0.84 1o70A1 ASP 460 H -0.01 0.38 0.29 -0.55 8.40 8.51 1o70A1 ASP 460 HA -0.13 0.02 0.73 -0.75 4.63 4.50 1o70A1 ASP 460 HB2 -0.24 0.03 0.19 -0.04 2.71 2.65 1o70A1 ASP 460 HB3 -0.08 0.02 0.11 -0.04 2.70 2.70 1o70A1 HIS 461 H -0.02 0.18 -0.20 -0.55 8.41 7.83 1o70A1 HIS 461 HA -0.17 0.20 0.70 -0.75 4.63 4.60 1o70A1 HIS 461 HB2 -0.05 -0.10 -0.17 -0.04 3.26 2.90 1o70A1 HIS 461 HB3 -0.05 0.13 -0.14 -0.04 3.20 3.10 1o70A1 HIS 461 HD2 -0.60 0.05 0.04 -0.04 6.97 6.41 1o70A1 HIS 461 HE1 -0.24 -0.04 -0.01 -0.04 7.75 7.42 1o70A1 VAL 462 H -0.08 0.25 0.04 -0.55 8.24 7.91 1o70A1 VAL 462 HA -0.12 0.06 0.65 -0.75 4.13 3.97 1o70A1 VAL 462 HB -0.21 0.04 0.08 -0.04 2.12 1.98 1o70A1 VAL 462 HG13 -0.55 0.07 -0.12 -0.04 0.97 0.33 1o70A1 VAL 462 HG23 -0.78 -0.00 -0.19 -0.04 0.95 -0.07 1o70A1 LEU 463 H 0.22 0.12 0.05 -0.55 8.37 8.23 1o70A1 LEU 463 HA -0.09 0.04 0.28 -0.75 4.35 3.83 1o70A1 LEU 463 HB2 -0.86 0.05 -0.09 -0.04 1.64 0.71 1o70A1 LEU 463 HB3 -0.29 -0.00 -0.10 -0.04 1.64 1.21 1o70A1 LEU 463 HG -0.28 -0.01 -0.03 -0.04 1.64 1.28 1o70A1 LEU 463 HD13 -0.36 0.00 -0.13 -0.04 0.93 0.40 1o70A1 LEU 463 HD23 -0.16 -0.02 -0.18 -0.04 0.89 0.50 1o70A1 GLY 464 H -0.10 0.25 0.10 -0.55 8.43 8.13 1o70A1 GLY 464 HA2 -0.06 0.03 0.43 -0.51 4.01 3.90 1o70A1 GLY 464 HA3 -0.01 0.04 0.41 -0.51 4.01 3.94 1o70A1 VAL 465 H -0.01 0.19 -0.50 -0.55 8.24 7.37 1o70A1 VAL 465 HA 0.01 0.14 0.76 -0.75 4.13 4.28 1o70A1 VAL 465 HB 0.01 0.06 0.06 -0.04 2.12 2.21 1o70A1 VAL 465 HG13 0.04 -0.01 -0.07 -0.04 0.97 0.89 1o70A1 VAL 465 HG23 0.03 -0.00 -0.25 -0.04 0.95 0.68 1o70A1 PRO 466 HA -0.13 0.00 0.32 -0.51 4.44 4.13 1o70A1 PRO 466 HB2 -0.06 -0.04 -0.22 -0.04 2.28 1.92 1o70A1 PRO 466 HB3 -0.13 0.11 0.04 -0.04 2.02 2.00 1o70A1 PRO 466 HG2 -0.06 -0.02 -0.33 -0.04 2.03 1.58 1o70A1 PRO 466 HG3 -0.09 0.17 -0.12 -0.04 2.03 1.95 1o70A1 PRO 466 HD2 -0.02 0.08 0.02 -0.04 3.68 3.72 1o70A1 PRO 466 HD3 -0.03 0.22 -0.23 -0.04 3.65 3.57 1o70A1 TYR 467 H -0.42 0.13 0.17 -0.55 8.29 7.62 1o70A1 TYR 467 HA -0.02 0.24 0.85 -0.75 4.56 4.86 1o70A1 TYR 467 HB2 -0.01 -0.02 0.21 -0.04 3.06 3.20 1o70A1 TYR 467 HB3 -0.01 0.13 0.01 -0.04 2.98 3.07 1o70A1 TYR 467 HD2 -0.10 0.06 0.01 -0.04 7.15 7.08 1o70A1 TYR 467 HE2 -0.36 -0.03 -0.02 -0.04 6.85 6.39 1o70A1 THR 468 H -0.21 0.20 0.03 -0.55 8.28 7.75 1o70A1 THR 468 HA -0.09 0.18 0.77 -0.75 4.39 4.49 1o70A1 THR 468 HB -0.18 -0.11 -0.04 -0.04 4.32 3.95 1o70A1 THR 468 HG23 -0.48 0.01 -0.24 -0.04 1.22 0.47 1o70A1 THR 469 H -0.07 0.14 0.16 -0.55 8.28 7.96 1o70A1 THR 469 HA -0.04 -0.04 0.63 -0.75 4.39 4.19 1o70A1 THR 469 HB -0.03 0.18 0.20 -0.04 4.32 4.62 1o70A1 THR 469 HG23 -0.01 0.07 0.04 -0.04 1.22 1.27 1o70A1 VAL 470 H -0.04 0.25 0.09 -0.55 8.24 7.99 1o70A1 VAL 470 HA -0.05 0.09 0.28 -0.75 4.13 3.69 1o70A1 VAL 470 HB -0.19 0.15 0.13 -0.04 2.12 2.17 1o70A1 VAL 470 HG13 0.03 0.00 -0.20 -0.04 0.97 0.76 1o70A1 VAL 470 HG23 0.02 -0.00 -0.15 -0.04 0.95 0.78 1o70A1 LEU 471 H -0.11 0.46 -0.16 -0.55 8.37 8.01 1o70A1 LEU 471 HA -0.02 0.06 0.28 -0.75 4.35 3.91 1o70A1 LEU 471 HB2 -0.10 0.04 -0.27 -0.04 1.64 1.27 1o70A1 LEU 471 HB3 -0.07 -0.03 -0.18 -0.04 1.64 1.33 1o70A1 LEU 471 HG -0.02 -0.01 -0.43 -0.04 1.64 1.13 1o70A1 LEU 471 HD13 0.10 0.01 -0.14 -0.04 0.93 0.86 1o70A1 LEU 471 HD23 -0.02 0.03 -0.17 -0.04 0.89 0.69 1o70A1 GLY 472 H -0.08 0.02 -0.33 -0.55 8.43 7.49 1o70A1 GLY 472 HA2 -0.10 0.07 0.31 -0.51 4.01 3.78 1o70A1 GLY 472 HA3 -0.10 -0.05 0.29 -0.51 4.01 3.65 1o70A1 LYS 473 H -0.12 0.55 -0.39 -0.55 8.42 7.90 1o70A1 LYS 473 HA -0.17 0.03 0.36 -0.75 4.32 3.78 1o70A1 LYS 473 HB2 -0.12 0.12 0.01 -0.04 1.87 1.84 1o70A1 LYS 473 HB3 -0.10 0.01 -0.06 -0.04 1.79 1.61 1o70A1 LYS 473 HG2 -0.20 0.04 -0.06 -0.04 1.46 1.20 1o70A1 LYS 473 HG3 -0.13 0.04 -0.11 -0.04 1.46 1.22 1o70A1 LYS 473 HD2 -0.09 -0.04 -0.17 -0.04 1.69 1.34 1o70A1 LYS 473 HD3 -0.13 -0.06 -0.04 -0.04 1.68 1.41 1o70A1 LYS 473 HE2 -0.13 -0.01 -0.16 -0.04 2.99 2.65 1o70A1 LYS 473 HE3 -0.10 -0.08 -0.17 -0.04 2.99 2.60 1o70A1 LEU 474 H -0.09 0.60 -0.05 -0.55 8.37 8.27 1o70A1 LEU 474 HA -0.07 -0.04 0.28 -0.75 4.35 3.76 1o70A1 LEU 474 HB2 -0.01 0.10 0.07 -0.04 1.64 1.76 1o70A1 LEU 474 HB3 0.10 -0.04 -0.11 -0.04 1.64 1.55 1o70A1 LEU 474 HG 0.07 0.08 -0.06 -0.04 1.64 1.68 1o70A1 LEU 474 HD13 0.32 -0.02 -0.16 -0.04 0.93 1.03 1o70A1 LEU 474 HD23 0.04 -0.02 -0.12 -0.04 0.89 0.75 1o70A1 GLU 475 H -0.35 0.40 -0.43 -0.55 8.60 7.67 1o70A1 GLU 475 HA -1.22 0.11 0.62 -0.75 4.29 3.05 1o70A1 GLU 475 HB2 -0.34 -0.03 -0.03 -0.04 2.09 1.65 1o70A1 GLU 475 HB3 -0.97 -0.04 -0.04 -0.04 1.99 0.90 1o70A1 GLU 475 HG2 -0.27 0.38 0.06 -0.04 2.34 2.47 1o70A1 GLU 475 HG3 -0.20 0.13 -0.02 -0.04 2.34 2.21 1o70A1 SER 476 H -0.21 0.31 -0.26 -0.55 8.46 7.76 1o70A1 SER 476 HA -0.10 0.16 0.79 -0.75 4.49 4.59 1o70A1 SER 476 HB2 -0.08 -0.08 0.09 -0.04 3.95 3.85 1o70A1 SER 476 HB3 -0.10 -0.02 0.02 -0.04 3.93 3.80 1o70A1 ASP 477 H -0.12 0.38 -0.23 -0.55 8.40 7.88 1o70A1 ASP 477 HA -0.03 0.20 0.78 -0.75 4.63 4.82 1o70A1 ASP 477 HB2 -0.06 0.12 -0.04 -0.04 2.71 2.68 1o70A1 ASP 477 HB3 -0.03 -0.06 0.05 -0.04 2.70 2.62 1o70A1 PRO 478 HA 0.03 0.11 0.30 -0.51 4.44 4.37 1o70A1 PRO 478 HB2 0.05 0.01 -0.04 -0.04 2.28 2.26 1o70A1 PRO 478 HB3 0.03 0.05 0.06 -0.04 2.02 2.12 1o70A1 PRO 478 HG2 0.03 0.04 0.03 -0.04 2.03 2.10 1o70A1 PRO 478 HG3 0.01 0.11 0.02 -0.04 2.03 2.13 1o70A1 PRO 478 HD2 0.05 0.02 0.13 -0.04 3.68 3.83 1o70A1 PRO 478 HD3 0.00 0.41 0.28 -0.04 3.65 4.29 1o70A1 MET 479 H 0.06 0.15 -0.39 -0.55 8.47 7.75 1o70A1 MET 479 HA 0.05 0.06 0.47 -0.75 4.52 4.34 1o70A1 MET 479 HB2 0.10 0.05 0.03 -0.04 2.15 2.29 1o70A1 MET 479 HB3 0.08 0.06 -0.08 -0.04 2.03 2.05 1o70A1 MET 479 HG2 0.05 -0.09 0.06 -0.04 2.63 2.62 1o70A1 MET 479 HG3 0.03 -0.02 0.11 -0.04 2.56 2.63 1o70A1 MET 479 HE3 0.23 0.00 -0.08 -0.04 2.10 2.21 1o70A1 MET 480 H 0.04 0.55 -0.35 -0.55 8.47 8.17 1o70A1 MET 480 HA 0.08 0.13 0.70 -0.75 4.52 4.68 1o70A1 MET 480 HB2 0.01 0.26 0.04 -0.04 2.15 2.41 1o70A1 MET 480 HB3 0.04 -0.06 0.07 -0.04 2.03 2.04 1o70A1 MET 480 HG2 -0.00 0.02 -0.18 -0.04 2.63 2.43 1o70A1 MET 480 HG3 0.02 -0.11 -0.20 -0.04 2.56 2.23 1o70A1 MET 480 HE3 -0.04 -0.01 -0.14 -0.04 2.10 1.87 1o70A1 SER 481 H 0.08 0.35 -0.34 -0.55 8.46 8.01 1o70A1 SER 481 HA 0.18 0.13 0.25 -0.75 4.49 4.29 1o70A1 SER 481 HB2 0.09 0.01 0.05 -0.04 3.95 4.06 1o70A1 SER 481 HB3 0.07 0.19 0.17 -0.04 3.93 4.31 1o70A1 ASP 482 H 0.17 0.10 -0.25 -0.55 8.40 7.87 1o70A1 ASP 482 HA 0.15 0.11 0.46 -0.75 4.63 4.59 1o70A1 ASP 482 HB2 0.43 -0.02 0.03 -0.04 2.71 3.10 1o70A1 ASP 482 HB3 0.10 0.06 -0.07 -0.04 2.70 2.74 1o70A1 THR 483 H 0.29 0.17 -0.11 -0.55 8.28 8.07 1o70A1 THR 483 HA 0.03 0.04 0.36 -0.75 4.39 4.07 1o70A1 THR 483 HB 0.14 0.07 0.08 -0.04 4.32 4.57 1o70A1 THR 483 HG23 -0.01 -0.02 -0.12 -0.04 1.22 1.03 1o70A1 TYR 484 H 0.21 0.61 -0.31 -0.55 8.29 8.26 1o70A1 TYR 484 HA 0.06 -0.02 0.29 -0.75 4.56 4.13 1o70A1 TYR 484 HB2 0.02 0.01 -0.09 -0.04 3.06 2.97 1o70A1 TYR 484 HB3 0.02 0.06 -0.03 -0.04 2.98 2.99 1o70A1 TYR 484 HD2 0.01 -0.02 -0.13 -0.04 7.15 6.97 1o70A1 TYR 484 HE2 -0.03 -0.03 -0.11 -0.04 6.85 6.64 1o70A1 LYS 485 H 0.05 0.52 -0.16 -0.55 8.42 8.28 1o70A1 LYS 485 HA -0.40 0.01 0.45 -0.75 4.32 3.63 1o70A1 LYS 485 HB2 0.00 0.03 0.13 -0.04 1.87 1.99 1o70A1 LYS 485 HB3 0.15 0.08 0.21 -0.04 1.79 2.19 1o70A1 LYS 485 HG2 0.30 0.01 -0.17 -0.04 1.46 1.56 1o70A1 LYS 485 HG3 -0.17 -0.08 0.04 -0.04 1.46 1.21 1o70A1 LYS 485 HD2 0.03 -0.02 -0.02 -0.04 1.69 1.64 1o70A1 LYS 485 HD3 -0.01 -0.01 -0.00 -0.04 1.68 1.62 1o70A1 LYS 485 HE2 0.04 0.02 -0.03 -0.04 2.99 2.97 1o70A1 LYS 485 HE3 0.07 0.02 -0.03 -0.04 2.99 3.01 1o70A1 MET 486 H -0.10 0.69 -0.09 -0.55 8.47 8.42 1o70A1 MET 486 HA -0.03 0.06 0.41 -0.75 4.52 4.20 1o70A1 MET 486 HB2 -0.96 0.04 0.06 -0.04 2.15 1.25 1o70A1 MET 486 HB3 -0.43 0.05 0.04 -0.04 2.03 1.65 1o70A1 MET 486 HG2 -0.51 -0.08 -0.05 -0.04 2.63 1.96 1o70A1 MET 486 HG3 -1.00 0.25 0.07 -0.04 2.56 1.84 1o70A1 MET 486 HE3 -0.34 -0.01 0.01 -0.04 2.10 1.72 1o70A1 GLY 487 H -0.10 0.44 -0.45 -0.55 8.43 7.77 1o70A1 GLY 487 HA2 -0.04 0.04 0.40 -0.51 4.01 3.89 1o70A1 GLY 487 HA3 0.08 0.06 0.24 -0.51 4.01 3.88 1o70A1 LYS 488 H -0.23 0.54 -0.61 -0.55 8.42 7.57 1o70A1 LYS 488 HA -0.27 0.01 0.77 -0.75 4.32 4.07 1o70A1 LYS 488 HB2 -0.56 0.31 0.18 -0.04 1.87 1.76 1o70A1 LYS 488 HB3 -0.47 -0.05 -0.02 -0.04 1.79 1.21 1o70A1 LYS 488 HG2 -0.36 -0.10 -0.02 -0.04 1.46 0.94 1o70A1 LYS 488 HG3 -0.61 0.22 -0.01 -0.04 1.46 1.02 1o70A1 LYS 488 HD2 -0.48 0.04 0.02 -0.04 1.69 1.23 1o70A1 LYS 488 HD3 -0.35 -0.04 -0.01 -0.04 1.68 1.23 1o70A1 LYS 488 HE2 -0.22 -0.05 -0.06 -0.04 2.99 2.62 1o70A1 LYS 488 HE3 -0.97 0.04 -0.11 -0.04 2.99 1.91 1o70A1 PHE 489 H -0.17 0.34 -0.01 -0.55 8.34 7.94 1o70A1 PHE 489 HA -0.14 0.04 0.32 -0.75 4.62 4.08 1o70A1 PHE 489 HB2 -0.14 0.10 0.06 -0.04 3.15 3.13 1o70A1 PHE 489 HB3 -0.08 -0.05 0.01 -0.04 3.06 2.90 1o70A1 PHE 489 HD2 -0.15 0.05 0.05 -0.04 7.28 7.19 1o70A1 PHE 489 HE2 -0.08 -0.04 -0.14 -0.04 7.38 7.07 1o70A1 PHE 489 HZ 0.05 0.05 -0.09 -0.04 7.32 7.29 1o70A1 SER 490 H 0.04 0.07 -0.48 -0.55 8.46 7.53 1o70A1 SER 490 HA 0.13 0.22 0.83 -0.75 4.49 4.92 1o70A1 SER 490 HB2 0.10 0.01 0.05 -0.04 3.95 4.08 1o70A1 SER 490 HB3 0.06 0.08 -0.02 -0.04 3.93 4.01 1o70A1 HIS 491 H -0.17 0.41 -0.26 -0.55 8.41 7.84 1o70A1 HIS 491 HA -0.03 0.01 0.37 -0.75 4.63 4.23 1o70A1 HIS 491 HB2 -0.01 0.28 -0.03 -0.04 3.26 3.46 1o70A1 HIS 491 HB3 -0.03 -0.10 0.21 -0.04 3.20 3.23 1o70A1 HIS 491 HD2 -0.00 0.03 -0.27 -0.04 6.97 6.68 1o70A1 HIS 491 HE1 -0.04 -0.03 -0.01 -0.04 7.75 7.63 1o70A1 PHE 492 H 0.14 0.12 -0.26 -0.55 8.34 7.78 1o70A1 PHE 492 HA -0.11 0.10 0.37 -0.75 4.62 4.23 1o70A1 PHE 492 HB2 -0.08 0.00 0.03 -0.04 3.15 3.06 1o70A1 PHE 492 HB3 -0.08 0.03 0.13 -0.04 3.06 3.10 1o70A1 PHE 492 HD2 -0.12 0.01 -0.13 -0.04 7.28 7.00 1o70A1 PHE 492 HE2 -0.33 -0.01 -0.12 -0.04 7.38 6.88 1o70A1 PHE 492 HZ -0.31 0.04 -0.22 -0.04 7.32 6.79 1o70A1 ASN 493 H 0.04 0.42 -0.11 -0.55 8.53 8.34 1o70A1 ASN 493 HA -0.10 0.06 0.30 -0.75 4.76 4.26 1o70A1 ASN 493 HB2 -0.01 0.00 -0.09 -0.04 2.88 2.74 1o70A1 ASN 493 HB3 0.07 -0.03 -0.11 -0.04 2.79 2.67 1o70A1 ASN 493 HD21 -0.27 0.47 -0.10 -0.04 7.03 7.09 1o70A1 ASN 493 HD22 -0.20 -0.05 -0.17 -0.04 7.74 7.28 1o70A1 ASP 494 H -0.05 0.19 -0.34 -0.55 8.40 7.66 1o70A1 ASP 494 HA -0.03 0.00 0.28 -0.75 4.63 4.12 1o70A1 ASP 494 HB2 -0.03 0.17 0.09 -0.04 2.71 2.90 1o70A1 ASP 494 HB3 -0.02 -0.02 -0.01 -0.04 2.70 2.61 1o70A1 GLN 495 H -0.20 0.29 -0.28 -0.55 8.47 7.74 1o70A1 GLN 495 HA -0.05 0.00 0.37 -0.75 4.36 3.92 1o70A1 GLN 495 HB2 -0.01 -0.02 0.03 -0.04 2.15 2.11 1o70A1 GLN 495 HB3 -0.16 0.02 0.08 -0.04 2.02 1.92 1o70A1 GLN 495 HG2 -0.56 0.38 0.05 -0.04 2.40 2.23 1o70A1 GLN 495 HG3 -0.54 -0.04 -0.20 -0.04 2.39 1.57 1o70A1 GLN 495 HE21 -0.88 -0.06 -0.01 -0.04 6.97 5.98 1o70A1 GLN 495 HE22 -1.45 0.24 0.09 -0.04 7.69 6.53 1o70A1 LEU 496 H -0.34 0.57 -0.32 -0.55 8.37 7.73 1o70A1 LEU 496 HA -1.09 0.09 0.35 -0.75 4.35 2.95 1o70A1 LEU 496 HB2 -0.23 0.13 0.03 -0.04 1.64 1.53 1o70A1 LEU 496 HB3 -0.36 -0.22 0.07 -0.04 1.64 1.09 1o70A1 LEU 496 HG -0.56 0.12 0.02 -0.04 1.64 1.19 1o70A1 LEU 496 HD13 -0.09 -0.02 -0.11 -0.04 0.93 0.67 1o70A1 LEU 496 HD23 -0.96 -0.01 -0.12 -0.04 0.89 -0.24 1o70A1 ASN 497 H -0.12 0.36 -0.64 -0.55 8.53 7.59 1o70A1 ASN 497 HA -0.05 -0.05 0.75 -0.75 4.76 4.65 1o70A1 ASN 497 HB2 -0.04 0.05 0.01 -0.04 2.88 2.86 1o70A1 ASN 497 HB3 -0.02 0.05 -0.01 -0.04 2.79 2.77 1o70A1 ASN 497 HD21 -0.00 -0.02 -0.02 -0.04 7.03 6.95 1o70A1 ASN 497 HD22 -0.00 0.03 -0.04 -0.04 7.74 7.69 1o70A1 ASN 498 H 0.03 0.41 0.02 -0.55 8.53 8.45 1o70A1 ASN 498 HA 0.06 -0.04 0.41 -0.75 4.76 4.44 1o70A1 ASN 498 HB2 0.11 0.04 0.20 -0.04 2.88 3.19 1o70A1 ASN 498 HB3 0.30 0.09 0.14 -0.04 2.79 3.28 1o70A1 ASN 498 HD21 0.04 0.01 0.02 -0.04 7.03 7.06 1o70A1 ASN 498 HD22 0.05 0.04 0.04 -0.04 7.74 7.84 1o70A1 THR 499 H 0.05 0.09 0.23 -0.55 8.28 8.10 1o70A1 THR 499 HA 0.07 0.26 0.89 -0.75 4.39 4.85 1o70A1 THR 499 HB 0.02 0.04 0.16 -0.04 4.32 4.50 1o70A1 THR 499 HG23 0.03 0.02 -0.00 -0.04 1.22 1.22 1o70A1 GLN 500 H 0.03 -0.02 -0.05 -0.55 8.47 7.89 1o70A1 GLN 500 HA -0.00 0.19 0.69 -0.75 4.36 4.48 1o70A1 GLN 500 HB2 0.01 -0.03 0.04 -0.04 2.15 2.12 1o70A1 GLN 500 HB3 -0.01 0.03 0.11 -0.04 2.02 2.11 1o70A1 GLN 500 HG2 0.00 0.05 0.02 -0.04 2.40 2.43 1o70A1 GLN 500 HG3 0.01 -0.10 -0.04 -0.04 2.39 2.22 1o70A1 GLN 500 HE21 0.01 0.00 0.01 -0.04 6.97 6.95 1o70A1 GLN 500 HE22 0.01 0.01 0.00 -0.04 7.69 7.67 1o70A1 ARG 501 H -0.02 0.09 -0.31 -0.55 8.46 7.66 1o70A1 ARG 501 HA -0.15 0.21 0.79 -0.75 4.34 4.44 1o70A1 ARG 501 HB2 -0.74 0.03 -0.16 -0.04 1.90 0.99 1o70A1 ARG 501 HB3 -0.41 0.03 0.01 -0.04 1.80 1.39 1o70A1 ARG 501 HG2 -0.05 -0.22 -0.24 -0.04 1.67 1.11 1o70A1 ARG 501 HG3 -0.08 0.01 -0.10 -0.04 1.67 1.46 1o70A1 ARG 501 HD2 -0.08 0.14 -0.21 -0.04 3.22 3.04 1o70A1 ARG 501 HD3 -0.03 -0.05 -0.14 -0.04 3.22 2.96 1o70A1 ARG 502 H -0.28 0.42 0.16 -0.55 8.46 8.20 1o70A1 ARG 502 HA -0.06 0.31 0.79 -0.75 4.34 4.62 1o70A1 ARG 502 HB2 -0.09 0.12 -0.33 -0.04 1.90 1.56 1o70A1 ARG 502 HB3 -0.05 -0.12 -0.49 -0.04 1.80 1.11 1o70A1 ARG 502 HG2 -0.06 0.03 -0.46 -0.04 1.67 1.14 1o70A1 ARG 502 HG3 -0.05 0.02 -0.25 -0.04 1.67 1.35 1o70A1 ARG 502 HD2 -0.02 -0.15 -0.26 -0.04 3.22 2.75 1o70A1 ARG 502 HD3 -0.00 0.13 -0.27 -0.04 3.22 3.04 1o70A1 PHE 503 H 0.23 0.56 0.35 -0.55 8.34 8.93 1o70A1 PHE 503 HA 0.04 0.43 1.18 -0.75 4.62 5.52 1o70A1 PHE 503 HB2 -0.01 -0.11 0.04 -0.04 3.15 3.03 1o70A1 PHE 503 HB3 -0.02 -0.02 -0.06 -0.04 3.06 2.93 1o70A1 PHE 503 HD2 -0.05 0.13 -0.08 -0.04 7.28 7.24 1o70A1 PHE 503 HE2 -0.07 0.12 -0.12 -0.04 7.38 7.27 1o70A1 PHE 503 HZ -0.06 0.04 -0.09 -0.04 7.32 7.17 1o70A1 THR 504 H 0.21 0.64 0.26 -0.55 8.28 8.84 1o70A1 THR 504 HA 0.00 0.25 0.97 -0.75 4.39 4.85 1o70A1 THR 504 HB 0.18 0.03 0.27 -0.04 4.32 4.76 1o70A1 THR 504 HG23 -0.08 -0.00 -0.06 -0.04 1.22 1.04 1o70A1 TYR 505 H 0.07 0.46 0.18 -0.55 8.29 8.45 1o70A1 TYR 505 HA 0.12 0.30 0.90 -0.75 4.56 5.12 1o70A1 TYR 505 HB2 0.03 -0.03 -0.05 -0.04 3.06 2.97 1o70A1 TYR 505 HB3 -0.02 -0.08 0.08 -0.04 2.98 2.91 1o70A1 TYR 505 HD2 0.12 0.06 -0.17 -0.04 7.15 7.12 1o70A1 TYR 505 HE2 0.13 0.03 -0.13 -0.04 6.85 6.84 1o70A1 PHE 506 H 0.58 0.77 0.28 -0.55 8.34 9.42 1o70A1 PHE 506 HA 0.11 0.09 0.78 -0.75 4.62 4.84 1o70A1 PHE 506 HB2 0.13 0.05 0.30 -0.04 3.15 3.59 1o70A1 PHE 506 HB3 0.05 -0.05 0.05 -0.04 3.06 3.08 1o70A1 PHE 506 HD2 0.08 0.21 0.05 -0.04 7.28 7.58 1o70A1 PHE 506 HE2 -0.06 -0.02 -0.08 -0.04 7.38 7.18 1o70A1 PHE 506 HZ -0.05 -0.05 -0.12 -0.04 7.32 7.06 1o70A1 VAL 507 H -0.09 0.32 0.08 -0.55 8.24 8.00 1o70A1 VAL 507 HA -0.34 0.24 0.78 -0.75 4.13 4.06 1o70A1 VAL 507 HB -0.15 -0.08 -0.03 -0.04 2.12 1.82 1o70A1 VAL 507 HG13 -0.11 0.01 -0.26 -0.04 0.97 0.57 1o70A1 VAL 507 HG23 -0.68 0.03 -0.21 -0.04 0.95 0.04 1o70A1 PRO 508 HA -0.17 0.11 0.40 -0.51 4.44 4.27 1o70A1 PRO 508 HB2 -0.94 -0.01 -0.02 -0.04 2.28 1.27 1o70A1 PRO 508 HB3 -0.74 -0.01 -0.17 -0.04 2.02 1.06 1o70A1 PRO 508 HG2 -0.66 0.03 0.02 -0.04 2.03 1.38 1o70A1 PRO 508 HG3 -0.28 0.03 -0.11 -0.04 2.03 1.64 1o70A1 PRO 508 HD2 -0.11 0.04 0.20 -0.04 3.68 3.77 1o70A1 PRO 508 HD3 -0.24 0.46 0.33 -0.04 3.65 4.17 1o70A1 ARG 509 H -0.10 0.46 0.24 -0.55 8.46 8.51 1o70A1 ARG 509 HA 0.03 0.23 0.54 -0.75 4.34 4.39 1o70A1 ARG 509 HB2 -0.04 -0.05 0.18 -0.04 1.90 1.95 1o70A1 ARG 509 HB3 -0.00 0.05 0.09 -0.04 1.80 1.89 1o70A1 ARG 509 HG2 -0.10 0.20 0.18 -0.04 1.67 1.90 1o70A1 ARG 509 HG3 -0.10 -0.37 -0.13 -0.04 1.67 1.03 1o70A1 ARG 509 HD2 -0.25 0.04 -0.07 -0.04 3.22 2.89 1o70A1 ARG 509 HD3 -0.26 0.04 0.01 -0.04 3.22 2.97 1o70A1 ASP 510 H 0.06 0.51 0.31 -0.55 8.40 8.73 1o70A1 ASP 510 HA 0.25 0.01 0.41 -0.75 4.63 4.54 1o70A1 ASP 510 HB2 0.05 0.01 0.22 -0.04 2.71 2.95 1o70A1 ASP 510 HB3 0.07 0.04 0.01 -0.04 2.70 2.77 1o70A1 LYS 511 H -0.02 0.13 -0.07 -0.55 8.42 7.90 1o70A1 LYS 511 HA -0.01 0.06 0.35 -0.75 4.32 3.97 1o70A1 LYS 511 HB2 -0.09 0.00 0.12 -0.04 1.87 1.86 1o70A1 LYS 511 HB3 -0.11 0.03 0.02 -0.04 1.79 1.69 1o70A1 LYS 511 HG2 -0.04 0.01 -0.01 -0.04 1.46 1.38 1o70A1 LYS 511 HG3 -0.05 0.01 0.06 -0.04 1.46 1.44 1o70A1 LYS 511 HD2 -0.12 0.02 -0.01 -0.04 1.69 1.54 1o70A1 LYS 511 HD3 -0.07 0.03 0.01 -0.04 1.68 1.60 1o70A1 LYS 511 HE2 -0.20 -0.05 0.03 -0.04 2.99 2.73 1o70A1 LYS 511 HE3 -0.18 0.03 0.02 -0.04 2.99 2.82 1o70A1 GLY 512 H -0.08 0.11 -0.51 -0.55 8.43 7.41 1o70A1 GLY 512 HA2 -0.03 0.18 0.57 -0.51 4.01 4.22 1o70A1 GLY 512 HA3 -0.24 0.03 0.21 -0.51 4.01 3.49 1o70A1 TRP 513 H 0.01 0.39 -0.04 -0.55 7.97 7.78 1o70A1 TRP 513 HA 0.04 0.04 0.44 -0.75 4.62 4.39 1o70A1 TRP 513 HB2 0.11 0.05 0.10 -0.04 3.23 3.44 1o70A1 TRP 513 HB3 0.30 0.00 -0.03 -0.04 3.23 3.47 1o70A1 TRP 513 HD1 0.06 -0.08 -0.17 -0.04 7.22 6.99 1o70A1 TRP 513 HE1 -0.08 0.01 -0.06 -0.04 10.20 10.02 1o70A1 TRP 513 HE3 0.12 -0.03 -0.01 -0.04 7.59 7.62 1o70A1 TRP 513 HZ2 -0.30 0.02 -0.04 -0.04 7.44 7.08 1o70A1 TRP 513 HZ3 -0.09 0.02 -0.08 -0.04 7.13 6.94 1o70A1 TRP 513 HH2 -0.21 0.03 -0.09 -0.04 7.19 6.88 1o70A1 GLN 514 H 0.14 0.56 -0.19 -0.55 8.47 8.44 1o70A1 GLN 514 HA -0.01 0.03 0.39 -0.75 4.36 4.01 1o70A1 GLN 514 HB2 0.02 0.11 0.12 -0.04 2.15 2.37 1o70A1 GLN 514 HB3 -0.01 -0.02 0.01 -0.04 2.02 1.96 1o70A1 GLN 514 HG2 0.01 -0.01 -0.02 -0.04 2.40 2.33 1o70A1 GLN 514 HG3 0.08 0.10 -0.04 -0.04 2.39 2.48 1o70A1 GLN 514 HE21 0.01 -0.00 -0.09 -0.04 6.97 6.84 1o70A1 GLN 514 HE22 0.03 -0.02 -0.14 -0.04 7.69 7.52 1o70A1 LYS 515 H 0.06 0.53 -0.19 -0.55 8.42 8.27 1o70A1 LYS 515 HA 0.02 0.01 0.47 -0.75 4.32 4.07 1o70A1 LYS 515 HB2 0.18 0.22 0.26 -0.04 1.87 2.49 1o70A1 LYS 515 HB3 0.14 -0.07 0.06 -0.04 1.79 1.88 1o70A1 LYS 515 HG2 0.01 -0.07 0.07 -0.04 1.46 1.43 1o70A1 LYS 515 HG3 0.02 0.20 0.14 -0.04 1.46 1.78 1o70A1 LYS 515 HD2 0.08 0.09 0.05 -0.04 1.69 1.87 1o70A1 LYS 515 HD3 0.02 -0.04 0.03 -0.04 1.68 1.65 1o70A1 LYS 515 HE2 -0.02 -0.03 0.01 -0.04 2.99 2.91 1o70A1 LYS 515 HE3 -0.03 -0.03 -0.02 -0.04 2.99 2.87 1o70A1 THR 516 H 0.12 0.42 -0.22 -0.55 8.28 8.04 1o70A1 THR 516 HA 0.21 -0.01 0.39 -0.75 4.39 4.23 1o70A1 THR 516 HB 0.45 0.17 0.13 -0.04 4.32 5.03 1o70A1 THR 516 HG23 0.46 -0.02 -0.10 -0.04 1.22 1.52 1o70A1 GLU 517 H -0.01 0.41 -0.41 -0.55 8.60 8.05 1o70A1 GLU 517 HA -0.15 -0.00 0.27 -0.75 4.29 3.65 1o70A1 GLU 517 HB2 -0.85 0.04 0.10 -0.04 2.09 1.33 1o70A1 GLU 517 HB3 -0.25 0.14 0.06 -0.04 1.99 1.90 1o70A1 GLU 517 HG2 -0.53 -0.03 0.02 -0.04 2.34 1.76 1o70A1 GLU 517 HG3 -0.49 -0.03 -0.03 -0.04 2.34 1.75 1o70A1 LEU 518 H -0.05 0.35 -0.28 -0.55 8.37 7.85 1o70A1 LEU 518 HA -0.05 0.02 0.47 -0.75 4.35 4.04 1o70A1 LEU 518 HB2 -0.04 0.15 0.16 -0.04 1.64 1.87 1o70A1 LEU 518 HB3 -0.05 -0.06 0.04 -0.04 1.64 1.53 1o70A1 LEU 518 HG -0.05 0.15 0.07 -0.04 1.64 1.77 1o70A1 LEU 518 HD13 -0.03 -0.03 0.01 -0.04 0.93 0.85 1o70A1 LEU 518 HD23 -0.04 -0.02 -0.01 -0.04 0.89 0.78 1o70A1 ASP 519 H -0.08 0.36 -0.16 -0.55 8.40 7.98 1o70A1 ASP 519 HA -0.24 0.04 0.46 -0.75 4.63 4.14 1o70A1 ASP 519 HB2 -0.40 0.03 0.12 -0.04 2.71 2.42 1o70A1 ASP 519 HB3 -1.28 -0.07 -0.06 -0.04 2.70 1.26 1o70A1 TYR 520 H -0.00 0.70 -0.17 -0.55 8.29 8.27 1o70A1 TYR 520 HA 0.05 0.15 0.76 -0.75 4.56 4.76 1o70A1 TYR 520 HB2 0.11 -0.00 0.16 -0.04 3.06 3.28 1o70A1 TYR 520 HB3 0.06 -0.09 0.10 -0.04 2.98 3.01 1o70A1 TYR 520 HD2 0.10 0.05 -0.05 -0.04 7.15 7.21 1o70A1 TYR 520 HE2 0.15 0.01 -0.10 -0.04 6.85 6.86 1o70A1 PRO 521 HA 0.07 0.09 0.49 -0.51 4.44 4.58 1o70A1 PRO 521 HB2 0.03 -0.05 0.01 -0.04 2.28 2.23 1o70A1 PRO 521 HB3 0.00 0.16 0.15 -0.04 2.02 2.29 1o70A1 PRO 521 HG2 0.05 -0.13 0.09 -0.04 2.03 1.99 1o70A1 PRO 521 HG3 0.02 0.07 0.06 -0.04 2.03 2.13 1o70A1 PRO 521 HD2 0.08 0.10 0.01 -0.04 3.68 3.84 1o70A1 PRO 521 HD3 0.01 0.37 -0.23 -0.04 3.65 3.76 1o70A1 SER 522 H 0.08 0.16 -0.14 -0.55 8.46 8.01 1o70A1 SER 522 HA 0.03 0.10 0.54 -0.75 4.49 4.40 1o70A1 SER 522 HB2 0.04 0.01 0.09 -0.04 3.95 4.04 1o70A1 SER 522 HB3 -0.01 0.06 -0.04 -0.04 3.93 3.91 1o70A1 ALA 523 H 0.08 0.12 -0.12 -0.55 8.40 7.93 1o70A1 ALA 523 HA -0.11 0.10 0.47 -0.75 4.34 4.04 1o70A1 ALA 523 HB3 -0.01 0.06 0.09 -0.04 1.41 1.50 1o70A1 HIS 524 H 0.21 0.53 -0.29 -0.55 8.41 8.31 1o70A1 HIS 524 HA 0.11 0.01 0.39 -0.75 4.63 4.39 1o70A1 HIS 524 HB2 0.18 0.08 -0.16 -0.04 3.26 3.33 1o70A1 HIS 524 HB3 0.09 0.11 0.08 -0.04 3.20 3.44 1o70A1 HIS 524 HD2 0.37 0.00 -0.09 -0.04 6.97 7.21 1o70A1 HIS 524 HE1 -0.29 -0.03 -0.10 -0.04 7.75 7.29 1o70A1 LYS 525 H 0.12 0.43 -0.20 -0.55 8.42 8.21 1o70A1 LYS 525 HA 0.08 0.02 0.37 -0.75 4.32 4.03 1o70A1 LYS 525 HB2 0.07 0.05 0.15 -0.04 1.87 2.10 1o70A1 LYS 525 HB3 0.01 0.11 0.15 -0.04 1.79 2.01 1o70A1 LYS 525 HG2 0.02 -0.02 -0.15 -0.04 1.46 1.26 1o70A1 LYS 525 HG3 0.04 -0.03 0.03 -0.04 1.46 1.46 1o70A1 LYS 525 HD2 0.03 -0.01 -0.00 -0.04 1.69 1.66 1o70A1 LYS 525 HD3 0.02 0.02 -0.04 -0.04 1.68 1.64 1o70A1 LYS 525 HE2 0.05 -0.02 -0.05 -0.04 2.99 2.93 1o70A1 LYS 525 HE3 0.03 -0.01 -0.01 -0.04 2.99 2.96 1o70A1 LYS 526 H -0.13 0.37 -0.39 -0.55 8.42 7.71 1o70A1 LYS 526 HA -0.26 -0.01 0.38 -0.75 4.32 3.68 1o70A1 LYS 526 HB2 -0.36 0.16 0.16 -0.04 1.87 1.79 1o70A1 LYS 526 HB3 -0.88 -0.07 -0.03 -0.04 1.79 0.77 1o70A1 LYS 526 HG2 -1.10 -0.09 -0.00 -0.04 1.46 0.22 1o70A1 LYS 526 HG3 -0.36 0.16 0.02 -0.04 1.46 1.25 1o70A1 LYS 526 HD2 -0.37 0.06 -0.01 -0.04 1.69 1.33 1o70A1 LYS 526 HD3 -1.09 -0.04 -0.01 -0.04 1.68 0.49 1o70A1 LYS 526 HE2 -0.12 0.06 -0.03 -0.04 2.99 2.86 1o70A1 LYS 526 HE3 -0.24 -0.06 -0.03 -0.04 2.99 2.61 1o70A1 LEU 527 H -0.23 0.48 -0.17 -0.55 8.37 7.90 1o70A1 LEU 527 HA -0.37 -0.03 0.39 -0.75 4.35 3.59 1o70A1 LEU 527 HB2 -0.51 0.14 0.09 -0.04 1.64 1.31 1o70A1 LEU 527 HB3 -0.82 -0.09 0.04 -0.04 1.64 0.73 1o70A1 LEU 527 HG -0.17 0.29 0.08 -0.04 1.64 1.79 1o70A1 LEU 527 HD13 -0.06 -0.03 -0.07 -0.04 0.93 0.73 1o70A1 LEU 527 HD23 -0.20 -0.03 -0.05 -0.04 0.89 0.58 1o70A1 PHE 528 H -0.19 0.32 -0.66 -0.55 8.34 7.26 1o70A1 PHE 528 HA -0.81 0.13 0.83 -0.75 4.62 4.02 1o70A1 PHE 528 HB2 -0.25 0.10 0.09 -0.04 3.15 3.05 1o70A1 PHE 528 HB3 -0.10 -0.07 0.16 -0.04 3.06 3.00 1o70A1 PHE 528 HD2 -0.36 0.19 -0.04 -0.04 7.28 7.02 1o70A1 PHE 528 HE2 -0.60 0.01 -0.02 -0.04 7.38 6.73 1o70A1 PHE 528 HZ -0.91 -0.11 -0.12 -0.04 7.32 6.14 1o70A1 MET 529 H -0.56 0.48 -0.41 -0.55 8.47 7.43 1o70A1 MET 529 HA -0.14 0.11 0.85 -0.75 4.52 4.59 1o70A1 MET 529 HB2 0.10 0.19 0.14 -0.04 2.15 2.54 1o70A1 MET 529 HB3 0.13 -0.24 0.02 -0.04 2.03 1.89 1o70A1 MET 529 HG2 0.05 -0.09 0.08 -0.04 2.63 2.63 1o70A1 MET 529 HG3 0.00 0.24 -0.17 -0.04 2.56 2.60 1o70A1 MET 529 HE3 0.13 -0.03 -0.01 -0.04 2.10 2.16 1o70A1 ALA 530 H 0.08 0.20 0.14 -0.55 8.40 8.27 1o70A1 ALA 530 HA 0.15 0.09 0.41 -0.75 4.34 4.24 1o70A1 ALA 530 HB3 0.13 0.02 0.12 -0.04 1.41 1.64 1o70A1 ASP 531 H -0.06 0.07 -0.20 -0.55 8.40 7.66 1o70A1 ASP 531 HA -0.23 0.06 0.37 -0.75 4.63 4.07 1o70A1 ASP 531 HB2 -0.24 -0.02 0.05 -0.04 2.71 2.46 1o70A1 ASP 531 HB3 -1.12 0.06 -0.07 -0.04 2.70 1.52 1o70A1 PHE 532 H 0.02 0.45 -0.45 -0.55 8.34 7.81 1o70A1 PHE 532 HA -0.21 0.20 1.03 -0.75 4.62 4.89 1o70A1 PHE 532 HB2 -0.15 0.26 0.07 -0.04 3.15 3.29 1o70A1 PHE 532 HB3 -0.19 -0.11 0.16 -0.04 3.06 2.89 1o70A1 PHE 532 HD2 -0.13 0.05 -0.00 -0.04 7.28 7.15 1o70A1 PHE 532 HE2 -0.00 0.01 -0.04 -0.04 7.38 7.30 1o70A1 PHE 532 HZ -0.00 -0.00 -0.04 -0.04 7.32 7.24 1o70A1 SER 533 H -0.04 0.58 -0.19 -0.55 8.46 8.27 1o70A1 SER 533 HA -0.03 0.04 0.29 -0.75 4.49 4.04 1o70A1 SER 533 HB2 0.08 -0.07 -0.19 -0.04 3.95 3.73 1o70A1 SER 533 HB3 0.06 0.15 0.09 -0.04 3.93 4.19 1o70A1 TYR 534 H 0.08 0.15 -0.34 -0.55 8.29 7.62 1o70A1 TYR 534 HA 0.02 0.05 0.38 -0.75 4.56 4.25 1o70A1 TYR 534 HB2 -0.03 0.02 0.08 -0.04 3.06 3.09 1o70A1 TYR 534 HB3 -0.12 0.00 0.07 -0.04 2.98 2.89 1o70A1 TYR 534 HD2 0.04 -0.00 -0.01 -0.04 7.15 7.15 1o70A1 TYR 534 HE2 0.14 0.01 -0.03 -0.04 6.85 6.93 1o70A1 HIS 535 H -0.05 0.24 -0.12 -0.55 8.41 7.92 1o70A1 HIS 535 HA -0.40 0.03 0.44 -0.75 4.63 3.94 1o70A1 HIS 535 HB2 -0.02 0.15 0.18 -0.04 3.26 3.53 1o70A1 HIS 535 HB3 -0.12 0.03 0.01 -0.04 3.20 3.08 1o70A1 HIS 535 HD2 -0.14 -0.06 -0.07 -0.04 6.97 6.67 1o70A1 HIS 535 HE1 0.22 0.02 -0.01 -0.04 7.75 7.94 1o70A1 SER 536 H -0.06 0.47 -0.02 -0.55 8.46 8.30 1o70A1 SER 536 HA -0.20 0.01 0.41 -0.75 4.49 3.95 1o70A1 SER 536 HB2 -0.33 -0.02 0.08 -0.04 3.95 3.64 1o70A1 SER 536 HB3 -0.34 0.10 0.20 -0.04 3.93 3.85 1o70A1 LYS 537 H -0.09 0.60 -0.26 -0.55 8.42 8.12 1o70A1 LYS 537 HA -0.21 -0.04 0.42 -0.75 4.32 3.74 1o70A1 LYS 537 HB2 0.04 0.02 0.10 -0.04 1.87 1.98 1o70A1 LYS 537 HB3 0.02 0.14 0.14 -0.04 1.79 2.05 1o70A1 LYS 537 HG2 0.10 -0.00 -0.13 -0.04 1.46 1.39 1o70A1 LYS 537 HG3 0.18 -0.10 0.04 -0.04 1.46 1.54 1o70A1 LYS 537 HD2 0.12 -0.02 -0.05 -0.04 1.69 1.70 1o70A1 LYS 537 HD3 0.13 -0.03 -0.05 -0.04 1.68 1.69 1o70A1 LYS 537 HE2 0.10 0.07 -0.02 -0.04 2.99 3.10 1o70A1 LYS 537 HE3 0.14 0.01 -0.02 -0.04 2.99 3.07 1o70A1 SER 538 H -0.17 0.55 -0.08 -0.55 8.46 8.21 1o70A1 SER 538 HA -0.02 -0.04 0.43 -0.75 4.49 4.11 1o70A1 SER 538 HB2 -0.34 0.02 0.15 -0.04 3.95 3.74 1o70A1 SER 538 HB3 -0.24 0.18 0.22 -0.04 3.93 4.05 1o70A1 ILE 539 H -0.11 0.50 -0.21 -0.55 8.25 7.88 1o70A1 ILE 539 HA 0.02 0.04 0.43 -0.75 4.18 3.91 1o70A1 ILE 539 HB -0.07 0.11 0.15 -0.04 1.89 2.04 1o70A1 ILE 539 HG12 -0.08 0.33 0.06 -0.04 1.49 1.76 1o70A1 ILE 539 HG13 -0.05 -0.05 -0.04 -0.04 1.21 1.03 1o70A1 ILE 539 HG23 0.18 -0.01 -0.11 -0.04 0.93 0.95 1o70A1 ILE 539 HD13 -0.02 -0.01 -0.00 -0.04 0.88 0.81 1o70A1 LEU 540 H -0.21 0.57 -0.04 -0.55 8.37 8.14 1o70A1 LEU 540 HA -0.05 0.03 0.49 -0.75 4.35 4.06 1o70A1 LEU 540 HB2 -0.83 0.14 0.19 -0.04 1.64 1.10 1o70A1 LEU 540 HB3 -1.61 -0.06 -0.06 -0.04 1.64 -0.12 1o70A1 LEU 540 HG -0.18 -0.04 -0.02 -0.04 1.64 1.35 1o70A1 LEU 540 HD13 -0.15 0.01 -0.03 -0.04 0.93 0.71 1o70A1 LEU 540 HD23 -0.41 0.01 -0.17 -0.04 0.89 0.28 1o70A1 GLU 541 H -0.12 0.76 -0.04 -0.55 8.60 8.65 1o70A1 GLU 541 HA 0.32 -0.00 0.42 -0.75 4.29 4.27 1o70A1 GLU 541 HB2 0.13 0.13 0.10 -0.04 2.09 2.41 1o70A1 GLU 541 HB3 0.25 -0.21 0.15 -0.04 1.99 2.14 1o70A1 GLU 541 HG2 0.37 -0.07 0.06 -0.04 2.34 2.66 1o70A1 GLU 541 HG3 0.09 0.56 0.15 -0.04 2.34 3.10 1o70A1 ARG 542 H 0.09 0.34 -0.68 -0.55 8.46 7.66 1o70A1 ARG 542 HA 0.04 -0.01 0.47 -0.75 4.34 4.09 1o70A1 ARG 542 HB2 0.01 0.01 0.15 -0.04 1.90 2.03 1o70A1 ARG 542 HB3 -0.04 0.37 0.19 -0.04 1.80 2.28 1o70A1 ARG 542 HG2 -0.42 -0.05 -0.07 -0.04 1.67 1.10 1o70A1 ARG 542 HG3 -0.03 -0.06 0.10 -0.04 1.67 1.64 1o70A1 ARG 542 HD2 -0.33 0.18 0.09 -0.04 3.22 3.12 1o70A1 ARG 542 HD3 -0.44 -0.12 0.01 -0.04 3.22 2.62 1o70A1 HIS 543 H 0.32 0.52 -0.18 -0.55 8.41 8.52 1o70A1 HIS 543 HA 0.07 0.07 0.73 -0.75 4.63 4.75 1o70A1 HIS 543 HB2 0.39 0.08 0.18 -0.04 3.26 3.87 1o70A1 HIS 543 HB3 0.32 0.05 0.27 -0.04 3.20 3.80 1o70A1 HIS 543 HD2 -0.07 0.07 0.10 -0.04 6.97 7.02 1o70A1 HIS 543 HE1 -0.13 0.08 -0.03 -0.04 7.75 7.63 1o70A1 LEU 544 H 0.26 0.27 -0.35 -0.55 8.37 8.01 1o70A1 LEU 544 HA 0.31 0.15 1.03 -0.75 4.35 5.09 1o70A1 LEU 544 HB2 0.04 -0.02 -0.08 -0.04 1.64 1.53 1o70A1 LEU 544 HB3 0.24 -0.01 0.12 -0.04 1.64 1.95 1o70A1 LEU 544 HG 0.24 0.05 -0.46 -0.04 1.64 1.42 1o70A1 LEU 544 HD13 -0.06 -0.01 -0.18 -0.04 0.93 0.63 1o70A1 LEU 544 HD23 -0.15 -0.02 -0.13 -0.04 0.89 0.55 1o70A1 ALA 545 H 0.27 0.52 0.27 -0.55 8.40 8.92 1o70A1 ALA 545 HA 0.15 0.36 0.82 -0.75 4.34 4.91 1o70A1 ALA 545 HB3 0.16 -0.04 0.08 -0.04 1.41 1.58 1o70A1 ILE 546 H 0.10 0.59 0.20 -0.55 8.25 8.59 1o70A1 ILE 546 HA -0.07 0.25 1.09 -0.75 4.18 4.71 1o70A1 ILE 546 HB 0.06 0.08 0.02 -0.04 1.89 2.01 1o70A1 ILE 546 HG12 0.15 -0.02 -0.30 -0.04 1.49 1.29 1o70A1 ILE 546 HG13 0.19 0.01 -0.49 -0.04 1.21 0.88 1o70A1 ILE 546 HG23 -0.20 -0.02 -0.14 -0.04 0.93 0.53 1o70A1 ILE 546 HD13 0.32 -0.01 -0.14 -0.04 0.88 1.01 1o70A1 SER 547 H -0.05 0.59 0.31 -0.55 8.46 8.76 1o70A1 SER 547 HA 0.00 0.14 0.59 -0.75 4.49 4.48 1o70A1 SER 547 HB2 0.09 -0.12 0.25 -0.04 3.95 4.13 1o70A1 SER 547 HB3 0.14 0.11 -0.11 -0.04 3.93 4.04 1o70A1 ASP 548 H 0.01 0.13 0.18 -0.55 8.40 8.18 1o70A1 ASP 548 HA -0.05 0.16 0.62 -0.75 4.63 4.61 1o70A1 ASP 548 HB2 -0.02 0.03 0.12 -0.04 2.71 2.79 1o70A1 ASP 548 HB3 -0.02 0.01 0.12 -0.04 2.70 2.77 1o70A1 LYS 549 H -0.04 0.04 -0.16 -0.55 8.42 7.71 1o70A1 LYS 549 HA -0.09 0.25 0.83 -0.75 4.32 4.56 1o70A1 LYS 549 HB2 -0.19 0.01 0.07 -0.04 1.87 1.72 1o70A1 LYS 549 HB3 -0.10 0.02 -0.14 -0.04 1.79 1.53 1o70A1 LYS 549 HG2 -0.13 -0.09 -0.05 -0.04 1.46 1.15 1o70A1 LYS 549 HG3 -0.67 0.02 -0.36 -0.04 1.46 0.41 1o70A1 LYS 549 HD2 -0.21 0.03 -0.07 -0.04 1.69 1.40 1o70A1 LYS 549 HD3 -0.07 -0.00 -0.06 -0.04 1.68 1.51 1o70A1 LYS 549 HE2 0.07 -0.01 -0.05 -0.04 2.99 2.95 1o70A1 LYS 549 HE3 -0.35 -0.01 -0.12 -0.04 2.99 2.46 1o70A1 GLU 550 H -0.15 0.17 0.07 -0.55 8.60 8.14 1o70A1 GLU 550 HA -0.01 0.22 0.72 -0.75 4.29 4.47 1o70A1 GLU 550 HB2 -0.03 -0.01 -0.17 -0.04 2.09 1.84 1o70A1 GLU 550 HB3 -0.02 0.04 -0.16 -0.04 1.99 1.81 1o70A1 GLU 550 HG2 -0.07 -0.01 0.01 -0.04 2.34 2.23 1o70A1 GLU 550 HG3 -0.07 -0.05 -0.14 -0.04 2.34 2.04 1o70A1 TYR 551 H 0.24 0.21 0.02 -0.55 8.29 8.21 1o70A1 TYR 551 HA -0.05 0.16 0.92 -0.75 4.56 4.83 1o70A1 TYR 551 HB2 0.01 0.01 0.04 -0.04 3.06 3.07 1o70A1 TYR 551 HB3 -0.13 -0.01 -0.07 -0.04 2.98 2.73 1o70A1 TYR 551 HD2 -0.27 -0.03 -0.10 -0.04 7.15 6.70 1o70A1 TYR 551 HE2 -0.10 0.05 -0.11 -0.04 6.85 6.65 1o70A1 THR 552 H 0.01 0.17 0.13 -0.55 8.28 8.05 1o70A1 THR 552 HA 0.11 0.19 0.63 -0.75 4.39 4.57 1o70A1 THR 552 HB -0.00 0.01 0.13 -0.04 4.32 4.42 1o70A1 THR 552 HG23 -0.01 0.06 -0.03 -0.04 1.22 1.21 1o70A1 MET 553 H -0.03 0.21 0.14 -0.55 8.47 8.24 1o70A1 MET 553 HA -0.33 0.11 0.32 -0.75 4.52 3.87 1o70A1 MET 553 HB2 -0.39 -0.06 0.14 -0.04 2.15 1.80 1o70A1 MET 553 HB3 -1.05 0.09 0.01 -0.04 2.03 1.04 1o70A1 MET 553 HG2 -0.62 0.05 -0.01 -0.04 2.63 2.01 1o70A1 MET 553 HG3 -0.98 0.03 -0.05 -0.04 2.56 1.52 1o70A1 MET 553 HE3 -0.41 -0.01 -0.07 -0.04 2.10 1.57 1o70A1 LYS 554 H -0.10 0.07 -0.30 -0.55 8.42 7.53 1o70A1 LYS 554 HA 0.12 0.13 0.33 -0.75 4.32 4.15 1o70A1 LYS 554 HB2 0.05 0.01 0.05 -0.04 1.87 1.94 1o70A1 LYS 554 HB3 0.06 0.02 -0.08 -0.04 1.79 1.74 1o70A1 LYS 554 HG2 0.11 0.01 0.01 -0.04 1.46 1.55 1o70A1 LYS 554 HG3 0.18 0.03 0.02 -0.04 1.46 1.65 1o70A1 LYS 554 HD2 0.10 0.02 -0.01 -0.04 1.69 1.76 1o70A1 LYS 554 HD3 0.08 -0.00 -0.03 -0.04 1.68 1.68 1o70A1 LYS 554 HE2 0.08 0.00 -0.02 -0.04 2.99 3.02 1o70A1 LYS 554 HE3 0.10 0.03 -0.02 -0.04 2.99 3.06 1o70A1 ASP 555 H 0.01 0.24 -0.45 -0.55 8.40 7.66 1o70A1 ASP 555 HA 0.18 0.12 0.52 -0.75 4.63 4.70 1o70A1 ASP 555 HB2 0.01 0.11 0.15 -0.04 2.71 2.93 1o70A1 ASP 555 HB3 -0.08 0.05 -0.01 -0.04 2.70 2.62 1o70A1 LEU 556 H -0.03 0.41 -0.10 -0.55 8.37 8.10 1o70A1 LEU 556 HA -0.11 0.02 0.29 -0.75 4.35 3.80 1o70A1 LEU 556 HB2 -0.03 0.11 0.01 -0.04 1.64 1.68 1o70A1 LEU 556 HB3 -0.01 -0.02 -0.05 -0.04 1.64 1.52 1o70A1 LEU 556 HG -0.04 0.13 -0.13 -0.04 1.64 1.55 1o70A1 LEU 556 HD13 0.01 -0.00 -0.15 -0.04 0.93 0.75 1o70A1 LEU 556 HD23 -0.13 -0.01 -0.13 -0.04 0.89 0.58 1o70A1 VAL 557 H 0.08 0.32 -0.44 -0.55 8.24 7.66 1o70A1 VAL 557 HA 0.12 0.20 0.34 -0.75 4.13 4.04 1o70A1 VAL 557 HB 0.17 0.04 0.04 -0.04 2.12 2.34 1o70A1 VAL 557 HG13 0.13 0.00 -0.16 -0.04 0.97 0.90 1o70A1 VAL 557 HG23 0.30 0.06 -0.17 -0.04 0.95 1.10 1o70A1 LYS 558 H 0.18 0.35 -0.18 -0.55 8.42 8.22 1o70A1 LYS 558 HA 0.12 0.04 0.40 -0.75 4.32 4.12 1o70A1 LYS 558 HB2 0.15 0.02 0.16 -0.04 1.87 2.16 1o70A1 LYS 558 HB3 0.30 0.07 0.19 -0.04 1.79 2.30 1o70A1 LYS 558 HG2 0.05 -0.00 -0.16 -0.04 1.46 1.30 1o70A1 LYS 558 HG3 0.07 -0.01 0.06 -0.04 1.46 1.53 1o70A1 LYS 558 HD2 0.09 -0.01 0.01 -0.04 1.69 1.74 1o70A1 LYS 558 HD3 0.13 -0.02 -0.00 -0.04 1.68 1.75 1o70A1 LYS 558 HE2 -0.02 0.00 -0.02 -0.04 2.99 2.91 1o70A1 LYS 558 HE3 0.02 0.00 0.00 -0.04 2.99 2.98 1o70A1 PHE 559 H 0.54 0.59 -0.16 -0.55 8.34 8.76 1o70A1 PHE 559 HA 0.05 -0.00 0.45 -0.75 4.62 4.36 1o70A1 PHE 559 HB2 0.07 0.03 0.11 -0.04 3.15 3.32 1o70A1 PHE 559 HB3 0.05 0.02 -0.04 -0.04 3.06 3.04 1o70A1 PHE 559 HD2 0.08 0.09 0.04 -0.04 7.28 7.45 1o70A1 PHE 559 HE2 0.14 -0.02 -0.02 -0.04 7.38 7.44 1o70A1 PHE 559 HZ 0.13 -0.01 -0.04 -0.04 7.32 7.35 1o70A1 SER 560 H 0.20 0.58 -0.07 -0.55 8.46 8.62 1o70A1 SER 560 HA 0.10 0.05 -0.07 -0.75 4.49 3.82 1o70A1 SER 560 HB2 0.07 -0.00 0.26 -0.04 3.95 4.23 1o70A1 SER 560 HB3 0.09 -0.14 0.14 -0.04 3.93 3.98 1o70A1 GLN 561 H 0.11 0.02 -0.99 -0.55 8.47 7.07 1o70A1 GLN 561 HA 0.05 0.09 0.75 -0.75 4.36 4.50 1o70A1 GLN 561 HB2 0.08 0.32 0.13 -0.04 2.15 2.64 1o70A1 GLN 561 HB3 0.06 -0.04 0.13 -0.04 2.02 2.13 1o70A1 GLN 561 HG2 0.04 -0.05 -0.04 -0.04 2.40 2.31 1o70A1 GLN 561 HG3 0.05 -0.00 0.06 -0.04 2.39 2.46 1o70A1 GLN 561 HE21 0.05 -0.10 -0.02 -0.04 6.97 6.86 1o70A1 GLN 561 HE22 0.05 0.02 0.01 -0.04 7.69 7.73 1o70A1 GLU 562 H 0.04 0.53 0.20 -0.55 8.60 8.82 1o70A1 GLU 562 HA 0.01 -0.03 0.52 -0.75 4.29 4.04 1o70A1 GLU 562 HB2 -0.05 0.01 0.20 -0.04 2.09 2.21 1o70A1 GLU 562 HB3 -0.03 -0.10 0.06 -0.04 1.99 1.88 1o70A1 GLU 562 HG2 -0.00 -0.06 0.07 -0.04 2.34 2.30 1o70A1 GLU 562 HG3 0.01 0.17 0.17 -0.04 2.34 2.65 1o70A1 SER 563 H 0.03 0.57 0.03 -0.55 8.46 8.55 1o70A1 SER 563 HA 0.01 0.06 0.71 -0.75 4.49 4.52 1o70A1 SER 563 HB2 0.02 -0.15 0.13 -0.04 3.95 3.91 1o70A1 SER 563 HB3 0.00 -0.08 0.06 -0.04 3.93 3.87 1o70A1 GLY 564 H 0.03 -0.02 0.10 -0.55 8.43 7.99 1o70A1 GLY 564 HA2 0.03 0.12 0.44 -0.51 4.01 4.08 1o70A1 GLY 564 HA3 0.02 -0.12 0.37 -0.51 4.01 3.78 1o70A1 SER 565 H 0.04 -0.02 0.06 -0.55 8.46 7.99 1o70A1 SER 565 HA 0.05 0.24 0.92 -0.75 4.49 4.95 1o70A1 SER 565 HB2 0.03 0.20 0.16 -0.04 3.95 4.29 1o70A1 SER 565 HB3 0.02 -0.02 -0.06 -0.04 3.93 3.83 1o70A1 VAL 566 H 0.03 0.85 0.43 -0.55 8.24 9.00 1o70A1 VAL 566 HA 0.10 0.15 0.91 -0.75 4.13 4.54 1o70A1 VAL 566 HB -0.01 -0.02 0.03 -0.04 2.12 2.07 1o70A1 VAL 566 HG13 -0.10 -0.01 -0.14 -0.04 0.97 0.67 1o70A1 VAL 566 HG23 0.09 -0.02 -0.06 -0.04 0.95 0.91 1o70A1 ILE 567 H 0.05 0.21 0.13 -0.55 8.25 8.09 1o70A1 ILE 567 HA -0.00 0.41 1.16 -0.75 4.18 5.00 1o70A1 ILE 567 HB 0.04 -0.02 0.11 -0.04 1.89 1.98 1o70A1 ILE 567 HG12 0.02 0.06 -0.21 -0.04 1.49 1.32 1o70A1 ILE 567 HG13 0.04 -0.09 -0.43 -0.04 1.21 0.69 1o70A1 ILE 567 HG23 0.02 -0.00 -0.16 -0.04 0.93 0.75 1o70A1 ILE 567 HD13 0.03 -0.00 -0.08 -0.04 0.88 0.79 1o70A1 LEU 568 H -0.04 0.65 0.33 -0.55 8.37 8.76 1o70A1 LEU 568 HA -0.09 0.23 1.03 -0.75 4.35 4.77 1o70A1 LEU 568 HB2 -0.06 -0.01 0.02 -0.04 1.64 1.54 1o70A1 LEU 568 HB3 -0.14 0.08 0.01 -0.04 1.64 1.56 1o70A1 LEU 568 HG -0.22 -0.06 -0.26 -0.04 1.64 1.06 1o70A1 LEU 568 HD13 -0.18 -0.01 -0.09 -0.04 0.93 0.62 1o70A1 LEU 568 HD23 -0.91 0.04 -0.16 -0.04 0.89 -0.18 1o70A1 PRO 569 HA 0.03 0.09 0.70 -0.51 4.44 4.75 1o70A1 PRO 569 HB2 0.05 0.20 0.21 -0.04 2.28 2.70 1o70A1 PRO 569 HB3 0.03 0.06 0.18 -0.04 2.02 2.26 1o70A1 PRO 569 HG2 0.06 0.01 0.15 -0.04 2.03 2.20 1o70A1 PRO 569 HG3 0.04 0.01 0.09 -0.04 2.03 2.13 1o70A1 PRO 569 HD2 0.04 0.07 0.19 -0.04 3.68 3.93 1o70A1 PRO 569 HD3 0.01 0.15 0.28 -0.04 3.65 4.06 1o70A1 THR 570 H 0.06 0.35 0.01 -0.55 8.28 8.16 1o70A1 THR 570 HA 0.14 0.36 0.94 -0.75 4.39 5.08 1o70A1 THR 570 HB 0.16 0.30 0.22 -0.04 4.32 4.95 1o70A1 THR 570 HG23 0.07 -0.02 -0.31 -0.04 1.22 0.93 1o70A1 PHE 571 H 0.30 0.24 0.18 -0.55 8.34 8.50 1o70A1 PHE 571 HA 0.06 0.14 0.47 -0.75 4.62 4.53 1o70A1 PHE 571 HB2 0.12 0.05 0.16 -0.04 3.15 3.44 1o70A1 PHE 571 HB3 0.11 -0.10 0.17 -0.04 3.06 3.20 1o70A1 PHE 571 HD2 0.07 -0.00 -0.03 -0.04 7.28 7.27 1o70A1 PHE 571 HE2 0.04 -0.01 -0.03 -0.04 7.38 7.34 1o70A1 PHE 571 HZ 0.03 -0.02 -0.02 -0.04 7.32 7.27 1o70A1 ARG 572 H 0.21 0.05 0.05 -0.55 8.46 8.21 1o70A1 ARG 572 HA -0.10 0.27 0.91 -0.75 4.34 4.67 1o70A1 ARG 572 HB2 0.14 -0.02 0.04 -0.04 1.90 2.02 1o70A1 ARG 572 HB3 0.05 0.01 0.15 -0.04 1.80 1.97 1o70A1 ARG 572 HG2 -0.04 0.04 -0.03 -0.04 1.67 1.60 1o70A1 ARG 572 HG3 0.16 -0.08 -0.27 -0.04 1.67 1.44 1o70A1 ARG 572 HD2 0.28 -0.01 -0.01 -0.04 3.22 3.44 1o70A1 ARG 572 HD3 0.17 0.00 -0.00 -0.04 3.22 3.35 1o70A1 ASP 573 H 0.08 -0.01 -0.30 -0.55 8.40 7.62 1o70A1 ASP 573 HA 0.03 0.19 0.62 -0.75 4.63 4.71 1o70A1 ASP 573 HB2 0.06 0.00 -0.25 -0.04 2.71 2.48 1o70A1 ASP 573 HB3 0.07 0.04 0.18 -0.04 2.70 2.94 1o70A1 SER 574 H 0.05 0.29 0.22 -0.55 8.46 8.48 1o70A1 SER 574 HA 0.04 0.07 0.79 -0.75 4.49 4.64 1o70A1 SER 574 HB2 0.02 0.05 -0.01 -0.04 3.95 3.97 1o70A1 SER 574 HB3 0.03 0.06 -0.19 -0.04 3.93 3.79 1o70A1 LEU 575 H 0.02 0.78 0.33 -0.55 8.37 8.95 1o70A1 LEU 575 HA 0.06 0.14 0.96 -0.75 4.35 4.76 1o70A1 LEU 575 HB2 -0.00 0.12 -0.09 -0.04 1.64 1.63 1o70A1 LEU 575 HB3 -0.03 -0.08 0.09 -0.04 1.64 1.57 1o70A1 LEU 575 HG -0.10 -0.08 -0.31 -0.04 1.64 1.11 1o70A1 LEU 575 HD13 -0.13 0.04 0.05 -0.04 0.93 0.85 1o70A1 LEU 575 HD23 -0.33 0.01 -0.08 -0.04 0.89 0.45 1o70A1 SER 576 H 0.10 0.21 0.15 -0.55 8.46 8.37 1o70A1 SER 576 HA 0.01 0.43 1.19 -0.75 4.49 5.37 1o70A1 SER 576 HB2 0.01 -0.05 0.00 -0.04 3.95 3.88 1o70A1 SER 576 HB3 -0.00 -0.05 0.20 -0.04 3.93 4.03 1o70A1 ILE 577 H 0.00 0.54 0.33 -0.55 8.25 8.58 1o70A1 ILE 577 HA 0.08 0.26 0.99 -0.75 4.18 4.76 1o70A1 ILE 577 HB -0.01 -0.03 0.05 -0.04 1.89 1.85 1o70A1 ILE 577 HG12 -0.09 0.01 -0.15 -0.04 1.49 1.22 1o70A1 ILE 577 HG13 -0.05 -0.04 -0.36 -0.04 1.21 0.72 1o70A1 ILE 577 HG23 0.01 -0.03 -0.26 -0.04 0.93 0.61 1o70A1 ILE 577 HD13 -0.28 -0.01 -0.17 -0.04 0.88 0.38 1o70A1 ARG 578 H 0.04 0.46 0.36 -0.55 8.46 8.76 1o70A1 ARG 578 HA 0.04 0.09 0.89 -0.75 4.34 4.60 1o70A1 ARG 578 HB2 0.03 -0.01 -0.06 -0.04 1.90 1.82 1o70A1 ARG 578 HB3 0.04 -0.05 0.12 -0.04 1.80 1.88 1o70A1 ARG 578 HG2 0.05 0.03 -0.04 -0.04 1.67 1.67 1o70A1 ARG 578 HG3 0.05 0.16 0.21 -0.04 1.67 2.04 1o70A1 ARG 578 HD2 0.03 -0.03 -0.02 -0.04 3.22 3.17 1o70A1 ARG 578 HD3 0.04 -0.10 -0.06 -0.04 3.22 3.06 1o70A1 VAL 579 H 0.06 0.26 0.14 -0.55 8.24 8.16 1o70A1 VAL 579 HA 0.07 0.42 1.20 -0.75 4.13 5.07 1o70A1 VAL 579 HB 0.08 -0.01 -0.25 -0.04 2.12 1.90 1o70A1 VAL 579 HG13 0.13 0.01 -0.13 -0.04 0.97 0.94 1o70A1 VAL 579 HG23 0.02 -0.03 -0.22 -0.04 0.95 0.68 1o70A1 GLU 580 H 0.10 0.46 0.33 -0.55 8.60 8.94 1o70A1 GLU 580 HA 0.08 0.21 0.90 -0.75 4.29 4.73 1o70A1 GLU 580 HB2 0.05 -0.05 -0.10 -0.04 2.09 1.95 1o70A1 GLU 580 HB3 0.04 0.04 0.07 -0.04 1.99 2.10 1o70A1 GLU 580 HG2 0.05 0.15 -0.20 -0.04 2.34 2.29 1o70A1 GLU 580 HG3 0.05 -0.10 -0.54 -0.04 2.34 1.71 1o70A1 GLU 581 H 0.02 0.19 0.16 -0.55 8.60 8.42 1o70A1 GLU 581 HA -0.16 0.24 0.81 -0.75 4.29 4.43 1o70A1 GLU 581 HB2 -0.04 -0.00 0.09 -0.04 2.09 2.10 1o70A1 GLU 581 HB3 -0.14 -0.02 -0.01 -0.04 1.99 1.78 1o70A1 GLU 581 HG2 -0.25 0.04 -0.13 -0.04 2.34 1.96 1o70A1 GLU 581 HG3 0.04 -0.03 -0.09 -0.04 2.34 2.21 1o70A1 GLU 582 H -0.10 0.75 0.08 -0.55 8.60 8.78 1o70A1 GLU 582 HA -0.02 0.07 0.66 -0.75 4.29 4.25 1o70A1 GLU 582 HB2 -0.00 -0.01 -0.31 -0.04 2.09 1.73 1o70A1 GLU 582 HB3 -0.00 -0.00 -0.06 -0.04 1.99 1.88 1o70A1 GLU 582 HG2 -0.00 -0.03 -0.02 -0.04 2.34 2.25 1o70A1 GLU 582 HG3 0.00 0.17 -0.03 -0.04 2.34 2.44 1o70A1 ALA 583 H -0.03 0.16 0.06 -0.55 8.40 8.05 1o70A1 ALA 583 HA -0.02 0.04 0.35 -0.75 4.34 3.95 1o70A1 ALA 583 HB3 -0.02 0.05 0.03 -0.04 1.41 1.44 1o70A1 GLY 584 H -0.07 0.03 -0.18 -0.55 8.43 7.67 1o70A1 GLY 584 HA2 -0.07 -0.01 0.32 -0.51 4.01 3.73 1o70A1 GLY 584 HA3 -0.04 0.15 0.48 -0.51 4.01 4.09 1o70A1 ARG 585 H -0.05 0.46 -0.59 -0.55 8.46 7.72 1o70A1 ARG 585 HA 0.02 0.15 0.72 -0.75 4.34 4.47 1o70A1 ARG 585 HB2 0.07 0.04 0.13 -0.04 1.90 2.10 1o70A1 ARG 585 HB3 0.01 0.04 0.07 -0.04 1.80 1.87 1o70A1 ARG 585 HG2 -0.01 0.19 -0.06 -0.04 1.67 1.75 1o70A1 ARG 585 HG3 0.05 0.02 -0.40 -0.04 1.67 1.30 1o70A1 ARG 585 HD2 0.05 -0.06 -0.05 -0.04 3.22 3.12 1o70A1 ARG 585 HD3 0.01 0.04 -0.01 -0.04 3.22 3.22 1o70A1 TYR 586 H 0.23 0.22 0.22 -0.55 8.29 8.41 1o70A1 TYR 586 HA 0.04 0.29 0.95 -0.75 4.56 5.09 1o70A1 TYR 586 HB2 0.05 -0.05 0.10 -0.04 3.06 3.12 1o70A1 TYR 586 HB3 0.03 0.02 -0.01 -0.04 2.98 2.98 1o70A1 TYR 586 HD2 0.05 0.05 -0.08 -0.04 7.15 7.13 1o70A1 TYR 586 HE2 0.05 0.04 -0.13 -0.04 6.85 6.77 1o70A1 VAL 587 H 0.14 0.62 0.33 -0.55 8.24 8.77 1o70A1 VAL 587 HA 0.10 0.13 1.06 -0.75 4.13 4.66 1o70A1 VAL 587 HB 0.06 -0.03 -0.10 -0.04 2.12 2.01 1o70A1 VAL 587 HG13 0.05 0.01 -0.25 -0.04 0.97 0.74 1o70A1 VAL 587 HG23 0.04 0.03 -0.33 -0.04 0.95 0.65 1o70A1 ILE 588 H 0.08 0.76 0.28 -0.55 8.25 8.82 1o70A1 ILE 588 HA 0.05 0.27 1.08 -0.75 4.18 4.82 1o70A1 ILE 588 HB 0.04 0.05 0.12 -0.04 1.89 2.05 1o70A1 ILE 588 HG12 0.01 0.03 -0.13 -0.04 1.49 1.35 1o70A1 ILE 588 HG13 0.08 -0.08 -0.29 -0.04 1.21 0.88 1o70A1 ILE 588 HG23 -0.04 -0.02 -0.28 -0.04 0.93 0.55 1o70A1 ILE 588 HD13 0.05 -0.01 -0.14 -0.04 0.88 0.74 1o70A1 ILE 589 H 0.06 0.77 0.36 -0.55 8.25 8.89 1o70A1 ILE 589 HA 0.10 0.35 1.00 -0.75 4.18 4.87 1o70A1 ILE 589 HB 0.05 -0.04 0.20 -0.04 1.89 2.07 1o70A1 ILE 589 HG12 0.05 0.03 -0.13 -0.04 1.49 1.40 1o70A1 ILE 589 HG13 0.06 -0.10 -0.36 -0.04 1.21 0.77 1o70A1 ILE 589 HG23 0.05 0.01 -0.16 -0.04 0.93 0.79 1o70A1 ILE 589 HD13 0.04 -0.00 -0.14 -0.04 0.88 0.74 1o70A1 TRP 590 H 0.24 0.55 0.13 -0.55 7.97 8.34 1o70A1 TRP 590 HA -0.07 0.19 0.94 -0.75 4.62 4.93 1o70A1 TRP 590 HB2 -0.11 -0.01 -0.08 -0.04 3.23 2.99 1o70A1 TRP 590 HB3 -0.05 -0.03 0.06 -0.04 3.23 3.17 1o70A1 TRP 590 HD1 -0.13 0.15 0.06 -0.04 7.22 7.27 1o70A1 TRP 590 HE1 -0.10 0.01 0.03 -0.04 10.20 10.10 1o70A1 TRP 590 HE3 -0.01 -0.01 -0.08 -0.04 7.59 7.45 1o70A1 TRP 590 HZ2 -0.07 0.04 -0.06 -0.04 7.44 7.31 1o70A1 TRP 590 HZ3 0.02 0.04 -0.38 -0.04 7.13 6.78 1o70A1 TRP 590 HH2 -0.03 -0.07 -0.26 -0.04 7.19 6.78 1o70A1 ASN 591 H -0.40 0.23 0.13 -0.55 8.53 7.94 1o70A1 ASN 591 HA -0.50 0.06 0.34 -0.75 4.76 3.90 1o70A1 ASN 591 HB2 -0.97 0.12 -0.02 -0.04 2.88 1.97 1o70A1 ASN 591 HB3 -0.67 -0.06 0.22 -0.04 2.79 2.25 1o70A1 ASN 591 HD21 -1.05 0.04 -0.03 -0.04 7.03 5.95 1o70A1 ASN 591 HD22 -1.53 -0.04 -0.06 -0.04 7.74 6.07 1o70A1 TYR 592 H -0.22 0.08 0.23 -0.55 8.29 7.83 1o70A1 TYR 592 HA -0.07 0.23 0.82 -0.75 4.56 4.78 1o70A1 TYR 592 HB2 -0.09 -0.05 0.11 -0.04 3.06 2.99 1o70A1 TYR 592 HB3 -0.05 0.01 0.17 -0.04 2.98 3.07 1o70A1 TYR 592 HD2 -0.07 0.08 -0.05 -0.04 7.15 7.07 1o70A1 TYR 592 HE2 -0.06 0.01 -0.04 -0.04 6.85 6.72 1o70A1 LYS 593 H 0.07 0.62 0.01 -0.55 8.42 8.56 1o70A1 LYS 593 HA 0.09 0.17 0.94 -0.75 4.32 4.78 1o70A1 LYS 593 HB2 0.37 0.05 0.09 -0.04 1.87 2.33 1o70A1 LYS 593 HB3 0.18 0.00 0.01 -0.04 1.79 1.94 1o70A1 LYS 593 HG2 0.12 0.04 -0.19 -0.04 1.46 1.39 1o70A1 LYS 593 HG3 0.17 -0.10 -0.03 -0.04 1.46 1.46 1o70A1 LYS 593 HD2 0.39 0.06 0.02 -0.04 1.69 2.13 1o70A1 LYS 593 HD3 0.14 0.00 0.01 -0.04 1.68 1.78 1o70A1 LYS 593 HE2 0.12 -0.03 0.01 -0.04 2.99 3.05 1o70A1 LYS 593 HE3 0.20 -0.12 0.06 -0.04 2.99 3.09 1o70A1 LYS 594 H 0.06 0.21 0.12 -0.55 8.42 8.26 1o70A1 LYS 594 HA 0.08 0.32 0.94 -0.75 4.32 4.90 1o70A1 LYS 594 HB2 0.04 0.04 -0.11 -0.04 1.87 1.80 1o70A1 LYS 594 HB3 0.03 -0.03 0.14 -0.04 1.79 1.88 1o70A1 LYS 594 HG2 0.04 -0.06 -0.22 -0.04 1.46 1.17 1o70A1 LYS 594 HG3 0.05 0.04 -0.14 -0.04 1.46 1.36 1o70A1 LYS 594 HD2 0.02 0.03 -0.10 -0.04 1.69 1.60 1o70A1 LYS 594 HD3 0.01 -0.02 -0.07 -0.04 1.68 1.57 1o70A1 LYS 594 HE2 0.02 -0.03 -0.14 -0.04 2.99 2.81 1o70A1 LYS 594 HE3 0.03 0.00 -0.16 -0.04 2.99 2.82 1o70A1 ILE 595 H 0.08 0.80 0.26 -0.55 8.25 8.85 1o70A1 ILE 595 HA 0.06 0.17 1.06 -0.75 4.18 4.72 1o70A1 ILE 595 HB 0.06 0.00 0.08 -0.04 1.89 1.99 1o70A1 ILE 595 HG12 0.13 0.18 -0.13 -0.04 1.49 1.63 1o70A1 ILE 595 HG13 0.12 0.05 -0.17 -0.04 1.21 1.16 1o70A1 ILE 595 HG23 0.07 0.06 -0.07 -0.04 0.93 0.94 1o70A1 ILE 595 HD13 0.17 -0.03 -0.28 -0.04 0.88 0.71 1o70A1 ASN 596 H 0.06 0.15 0.16 -0.55 8.53 8.36 1o70A1 ASN 596 HA 0.09 0.14 0.63 -0.75 4.76 4.86 1o70A1 ASN 596 HB2 0.07 -0.07 0.11 -0.04 2.88 2.95 1o70A1 ASN 596 HB3 0.10 0.11 -0.06 -0.04 2.79 2.90 1o70A1 ASN 596 HD21 0.02 0.03 -0.03 -0.04 7.03 7.01 1o70A1 ASN 596 HD22 0.04 -0.01 -0.00 -0.04 7.74 7.72 1o70A1 VAL 597 H 0.14 0.66 0.30 -0.55 8.24 8.79 1o70A1 VAL 597 HA 0.15 0.05 0.63 -0.75 4.13 4.20 1o70A1 VAL 597 HB 0.20 -0.01 0.16 -0.04 2.12 2.43 1o70A1 VAL 597 HG13 0.12 -0.03 -0.31 -0.04 0.97 0.71 1o70A1 VAL 597 HG23 0.12 0.00 -0.20 -0.04 0.95 0.83 1o70A1 TYR 598 H 0.24 0.26 0.21 -0.55 8.29 8.45 1o70A1 TYR 598 HA 0.08 0.07 0.43 -0.75 4.56 4.38 1o70A1 TYR 598 HB2 0.03 -0.05 -0.06 -0.04 3.06 2.94 1o70A1 TYR 598 HB3 0.04 -0.01 -0.07 -0.04 2.98 2.90 1o70A1 TYR 598 HD2 -0.00 -0.02 -0.07 -0.04 7.15 7.02 1o70A1 TYR 598 HE2 -0.13 -0.00 -0.03 -0.04 6.85 6.65 1o70A1 ARG 599 H 0.16 0.37 0.02 -0.55 8.46 8.46 1o70A1 ARG 599 HA 0.05 0.29 0.85 -0.75 4.34 4.78 1o70A1 ARG 599 HB2 0.08 -0.14 0.15 -0.04 1.90 1.95 1o70A1 ARG 599 HB3 -0.01 0.02 0.01 -0.04 1.80 1.78 1o70A1 ARG 599 HG2 0.05 0.09 -0.03 -0.04 1.67 1.74 1o70A1 ARG 599 HG3 -0.25 0.02 -0.31 -0.04 1.67 1.09 1o70A1 ARG 599 HD2 0.13 0.02 -0.10 -0.04 3.22 3.23 1o70A1 ARG 599 HD3 0.17 -0.07 -0.08 -0.04 3.22 3.20 1o70A1 PRO 600 HA 0.18 0.02 0.74 -0.51 4.44 4.87 1o70A1 PRO 600 HB2 -0.08 -0.08 0.03 -0.04 2.28 2.11 1o70A1 PRO 600 HB3 0.07 0.03 0.03 -0.04 2.02 2.11 1o70A1 PRO 600 HG2 0.02 0.06 0.05 -0.04 2.03 2.11 1o70A1 PRO 600 HG3 0.29 0.09 0.03 -0.04 2.03 2.40 1o70A1 PRO 600 HD2 0.10 0.16 0.13 -0.04 3.68 4.03 1o70A1 PRO 600 HD3 0.20 0.27 -0.22 -0.04 3.65 3.87 1o70A1 ASP 601 H 0.38 0.06 0.15 -0.55 8.40 8.44 1o70A1 ASP 601 HA -0.15 -0.00 0.31 -0.75 4.63 4.03 1o70A1 ASP 601 HB2 -0.07 0.26 -0.02 -0.04 2.71 2.84 1o70A1 ASP 601 HB3 -0.05 0.01 0.18 -0.04 2.70 2.80 1o70A1 VAL 602 H -0.21 0.73 0.05 -0.55 8.24 8.26 1o70A1 VAL 602 HA -0.14 0.00 0.60 -0.75 4.13 3.84 1o70A1 VAL 602 HB -0.14 0.00 0.19 -0.04 2.12 2.13 1o70A1 VAL 602 HG13 -0.11 -0.02 -0.07 -0.04 0.97 0.73 1o70A1 VAL 602 HG23 -0.08 0.00 -0.14 -0.04 0.95 0.69 1o70A1 GLU 603 H -0.12 0.30 -0.03 -0.55 8.60 8.19 1o70A1 GLU 603 HA -0.11 -0.04 0.43 -0.75 4.29 3.82 1o70A1 GLU 603 HB2 -0.09 0.05 0.02 -0.04 2.09 2.04 1o70A1 GLU 603 HB3 -0.07 0.12 -0.03 -0.04 1.99 1.97 1o70A1 GLU 603 HG2 -0.06 -0.00 0.02 -0.04 2.34 2.25 1o70A1 GLU 603 HG3 -0.08 -0.05 -0.01 -0.04 2.34 2.15 1o70A1 CYS 604 H -0.07 0.62 0.42 -0.55 8.50 8.92 1o70A1 CYS 604 HA -0.10 0.21 0.83 -0.75 4.58 4.77 1o70A1 CYS 604 HB2 -0.04 -0.02 -0.21 -0.04 2.97 2.66 1o70A1 CYS 604 HB3 -0.06 -0.23 0.05 -0.04 2.97 2.69 1o70A1 THR 605 H -0.05 0.40 0.21 -0.55 8.28 8.29 1o70A1 THR 605 HA -0.01 0.18 0.52 -0.75 4.39 4.32 1o70A1 THR 605 HB 0.00 0.05 0.00 -0.04 4.32 4.33 1o70A1 THR 605 HG23 -0.01 0.03 -0.22 -0.04 1.22 0.98 1o70A1 ASN 606 H 0.01 -0.09 -0.07 -0.55 8.53 7.83 1o70A1 ASN 606 HA 0.04 0.32 0.92 -0.75 4.76 5.28 1o70A1 ASN 606 HB2 0.16 0.26 0.30 -0.04 2.88 3.57 1o70A1 ASN 606 HB3 0.07 -0.01 0.02 -0.04 2.79 2.82 1o70A1 ASN 606 HD21 -0.02 0.15 -0.03 -0.04 7.03 7.08 1o70A1 ASN 606 HD22 0.21 0.69 -0.14 -0.04 7.74 8.46 1o70A1 GLY 607 H 0.01 0.36 -0.26 -0.55 8.43 7.99 1o70A1 GLY 607 HA2 0.02 0.01 0.25 -0.51 4.01 3.78 1o70A1 GLY 607 HA3 0.11 0.20 0.88 -0.51 4.01 4.69 1o70A1 ILE 608 H -0.01 0.83 0.45 -0.55 8.25 8.97 1o70A1 ILE 608 HA -0.13 0.15 0.79 -0.75 4.18 4.24 1o70A1 ILE 608 HB -0.10 0.01 -0.27 -0.04 1.89 1.48 1o70A1 ILE 608 HG12 -0.56 0.02 -0.27 -0.04 1.49 0.64 1o70A1 ILE 608 HG13 -0.20 0.04 -0.40 -0.04 1.21 0.60 1o70A1 ILE 608 HG23 -0.17 0.05 -0.10 -0.04 0.93 0.67 1o70A1 ILE 608 HD13 -0.07 0.00 -0.08 -0.04 0.88 0.69 1o70A1 ILE 609 H -0.25 0.57 0.11 -0.55 8.25 8.13 1o70A1 ILE 609 HA -0.22 0.26 1.07 -0.75 4.18 4.54 1o70A1 ILE 609 HB -0.14 0.11 0.11 -0.04 1.89 1.93 1o70A1 ILE 609 HG12 0.01 0.03 -0.02 -0.04 1.49 1.47 1o70A1 ILE 609 HG13 -0.05 -0.08 -0.29 -0.04 1.21 0.75 1o70A1 ILE 609 HG23 -0.12 -0.01 -0.25 -0.04 0.93 0.51 1o70A1 ILE 609 HD13 -0.04 0.00 -0.08 -0.04 0.88 0.72 1o70A1 HIS 610 H -0.24 0.69 0.27 -0.55 8.41 8.59 1o70A1 HIS 610 HA -0.09 0.19 1.05 -0.75 4.63 5.02 1o70A1 HIS 610 HB2 -0.26 0.02 0.10 -0.04 3.26 3.07 1o70A1 HIS 610 HB3 -0.03 0.02 -0.04 -0.04 3.20 3.11 1o70A1 HIS 610 HD2 -1.01 0.08 -0.22 -0.04 6.97 5.77 1o70A1 HIS 610 HE1 -0.13 -0.23 0.08 -0.04 7.75 7.43 1o70A1 VAL 611 H 0.05 0.64 0.22 -0.55 8.24 8.60 1o70A1 VAL 611 HA 0.03 0.31 0.66 -0.75 4.13 4.38 1o70A1 VAL 611 HB 0.15 -0.16 0.19 -0.04 2.12 2.26 1o70A1 VAL 611 HG13 0.13 0.03 -0.13 -0.04 0.97 0.95 1o70A1 VAL 611 HG23 0.03 0.01 -0.06 -0.04 0.95 0.90 1o70A1 ILE 612 H 0.04 0.52 0.11 -0.55 8.25 8.37 1o70A1 ILE 612 HA 0.12 0.12 1.07 -0.75 4.18 4.74 1o70A1 ILE 612 HB 0.06 -0.01 0.01 -0.04 1.89 1.91 1o70A1 ILE 612 HG12 0.02 0.01 -0.53 -0.04 1.49 0.94 1o70A1 ILE 612 HG13 -0.07 -0.12 -0.41 -0.04 1.21 0.58 1o70A1 ILE 612 HG23 0.19 0.05 -0.25 -0.04 0.93 0.88 1o70A1 ILE 612 HD13 0.05 0.03 -0.12 -0.04 0.88 0.80 1o70A1 ASP 613 H 0.07 0.53 0.25 -0.55 8.40 8.70 1o70A1 ASP 613 HA -0.03 0.02 0.57 -0.75 4.63 4.43 1o70A1 ASP 613 HB2 0.06 -0.04 0.24 -0.04 2.71 2.93 1o70A1 ASP 613 HB3 0.03 0.03 0.03 -0.04 2.70 2.75 1o70A1 TYR 614 H 0.04 0.20 -0.06 -0.55 8.29 7.91 1o70A1 TYR 614 HA -0.22 0.14 0.68 -0.75 4.56 4.41 1o70A1 TYR 614 HB2 -0.06 -0.02 -0.24 -0.04 3.06 2.70 1o70A1 TYR 614 HB3 -0.05 -0.04 -0.05 -0.04 2.98 2.80 1o70A1 TYR 614 HD2 -0.04 0.03 0.01 -0.04 7.15 7.10 1o70A1 TYR 614 HE2 0.05 0.01 -0.08 -0.04 6.85 6.79 1o70A1 PRO 615 HA -0.23 0.07 0.43 -0.51 4.44 4.20 1o70A1 PRO 615 HB2 -0.52 0.10 -0.15 -0.04 2.28 1.67 1o70A1 PRO 615 HB3 -1.44 0.01 0.00 -0.04 2.02 0.56 1o70A1 PRO 615 HG2 -0.90 0.04 -0.03 -0.04 2.03 1.10 1o70A1 PRO 615 HG3 -1.39 0.05 -0.06 -0.04 2.03 0.59 1o70A1 PRO 615 HD2 -1.81 0.15 0.15 -0.04 3.68 2.12 1o70A1 PRO 615 HD3 -1.08 0.06 -0.07 -0.04 3.65 2.52 1o70A1 LEU 616 H 0.04 0.17 0.07 -0.55 8.37 8.10 1o70A1 LEU 616 HA -0.72 0.05 0.44 -0.75 4.35 3.37 1o70A1 LEU 616 HB2 -1.29 0.04 0.17 -0.04 1.64 0.53 1o70A1 LEU 616 HB3 -2.54 -0.01 0.05 -0.04 1.64 -0.91 1o70A1 LEU 616 HG -0.68 -0.03 0.06 -0.04 1.64 0.94 1o70A1 LEU 616 HD13 -1.02 0.01 -0.04 -0.04 0.93 -0.16 1o70A1 LEU 616 HD23 -0.83 -0.01 -0.07 -0.04 0.89 -0.06 1o70A1 LEU 617 H 0.11 0.41 0.21 -0.55 8.37 8.56 1o70A1 LEU 617 HA 0.16 0.09 0.75 -0.75 4.35 4.61 1o70A1 LEU 617 HB2 -0.02 -0.04 -0.46 -0.04 1.64 1.08 1o70A1 LEU 617 HB3 0.13 -0.00 -0.08 -0.04 1.64 1.65 1o70A1 LEU 617 HG 0.02 0.08 -0.12 -0.04 1.64 1.57 1o70A1 LEU 617 HD13 0.05 -0.00 0.01 -0.04 0.93 0.94 1o70A1 LEU 617 HD23 0.13 -0.01 -0.14 -0.04 0.89 0.83 1o70A1 GLU 618 H 0.23 0.17 0.16 -0.55 8.60 8.61 1o70A1 GLU 618 HA 0.20 0.23 0.80 -0.75 4.29 4.77 1o70A1 GLU 618 HB2 0.07 -0.05 0.06 -0.04 2.09 2.12 1o70A1 GLU 618 HB3 0.03 -0.00 0.13 -0.04 1.99 2.11 1o70A1 GLU 618 HG2 -0.03 0.06 -0.07 -0.04 2.34 2.26 1o70A1 GLU 618 HG3 0.27 -0.01 -0.21 -0.04 2.34 2.35 1o70A1 GLU 619 H 0.06 0.23 0.12 -0.55 8.60 8.47 1o70A1 GLU 619 HA -0.29 0.18 0.62 -0.75 4.29 4.05 1o70A1 GLU 619 HB2 -0.02 0.03 0.20 -0.04 2.09 2.26 1o70A1 GLU 619 HB3 0.13 0.07 0.09 -0.04 1.99 2.24 1o70A1 GLU 619 HG2 0.07 -0.03 0.07 -0.04 2.34 2.41 1o70A1 GLU 619 HG3 0.02 0.02 -0.12 -0.04 2.34 2.22 1o70A1 LYS 620 H -0.01 0.03 -0.66 -0.55 8.42 7.23 1o70A1 LYS 620 HA -0.03 0.19 0.62 -0.75 4.32 4.35 1o70A1 LYS 620 HB2 -0.01 0.02 -0.06 -0.04 1.87 1.78 1o70A1 LYS 620 HB3 -0.02 0.07 0.10 -0.04 1.79 1.90 1o70A1 LYS 620 HG2 -0.02 0.06 -0.04 -0.04 1.46 1.42 1o70A1 LYS 620 HG3 -0.02 -0.16 -0.02 -0.04 1.46 1.22 1o70A1 LYS 620 HD2 -0.05 0.01 -0.01 -0.04 1.69 1.59 1o70A1 LYS 620 HD3 -0.04 0.05 -0.00 -0.04 1.68 1.64 1o70A1 LYS 620 HE2 -0.05 0.02 -0.01 -0.04 2.99 2.92 1o70A1 LYS 620 HE3 -0.08 -0.06 0.00 -0.04 2.99 2.81 1o70A1 ASP 621 H -0.08 0.24 -0.25 -0.55 8.40 7.77 1o70A1 ASP 621 HA -0.09 0.24 0.76 -0.75 4.63 4.78 1o70A1 ASP 621 HB2 -0.06 0.05 0.02 -0.04 2.71 2.67 1o70A1 ASP 621 HB3 -0.08 0.03 0.11 -0.04 2.70 2.72 1o70A1 VAL 622 H -0.15 -0.00 -0.41 -0.55 8.24 7.14 1o70A1 VAL 622 HA -0.17 0.20 0.89 -0.75 4.13 4.30 1o70A1 VAL 622 HB -0.28 0.02 0.10 -0.04 2.12 1.91 1o70A1 VAL 622 HG13 -0.10 -0.01 -0.09 -0.04 0.97 0.72 1o70A1 VAL 622 HG23 -0.82 0.00 -0.11 -0.04 0.95 -0.02 1o70A1 VAL 623 H -0.08 0.13 -0.05 -0.55 8.24 7.69 1o70A1 VAL 623 HA -0.02 -0.01 0.32 -0.75 4.13 3.66 1o70A1 VAL 623 HB -0.01 -0.03 0.06 -0.04 2.12 2.11 1o70A1 VAL 623 HG13 -0.00 -0.03 0.04 -0.04 0.97 0.94 1o70A1 VAL 623 HG23 -0.03 0.04 0.08 -0.04 0.95 1.00