============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. PHE 4 1.000 60.839 27.622 13.564 -99.200 -91.000 PHE 36 1.000 44.159 40.205 28.388 -99.200 -91.000 PHE 59 1.000 69.512 63.924 31.717 -99.200 -91.000 TYR 61 0.840 69.489 72.108 23.251 -99.200 -91.000 PHE 82 1.000 66.921 52.163 23.943 -99.200 -91.000 TYR 84 0.840 64.263 47.580 32.187 -99.200 -91.000 TYR 87 0.840 54.547 49.724 27.884 -99.200 -91.000 HIS 92 0.900 50.925 46.357 29.129 -99.200 -91.000 HIS 107 0.900 77.828 65.186 26.282 -99.200 -91.000 PHE 113 1.000 68.256 59.427 36.008 -99.200 -91.000 PHE 114 1.000 69.735 59.779 40.811 -99.200 -91.000 PHE 117 1.000 64.745 62.504 33.025 -99.200 -91.000 PHE 137 1.000 72.954 46.111 43.468 -99.200 -91.000 PHE 145 1.000 54.456 62.478 33.129 -99.200 -91.000 PHE 204 1.000 56.881 35.605 25.256 -99.200 -91.000 TRP 214 1.040 50.708 27.949 38.143 -99.200 -91.000 TRP6 214 1.020 53.056 27.750 37.902 -99.200 -91.000 TYR 221 0.840 56.571 37.025 39.409 -99.200 -91.000 PHE 225 1.000 61.371 36.437 50.502 -99.200 -91.000 PHE 227 1.000 59.717 29.957 46.023 -99.200 -91.000 TRP 233 1.040 58.036 32.538 37.179 -99.200 -91.000 TRP6 233 1.020 57.911 30.173 37.205 -99.200 -91.000 TYR 244 0.840 55.178 21.466 22.065 -99.200 -91.000 PHE 256 1.000 55.887 26.882 32.024 -99.200 -91.000 PHE 257 1.000 51.736 24.409 34.355 -99.200 -91.000 TRP 263 1.040 65.265 21.162 31.811 -99.200 -91.000 TRP6 263 1.020 64.872 21.423 29.491 -99.200 -91.000 TRP 265 1.040 64.562 21.176 36.443 -99.200 -91.000 TRP6 265 1.020 64.841 23.165 35.187 -99.200 -91.000 TRP 284 1.040 75.456 29.802 34.296 -99.200 -91.000 TRP6 284 1.020 75.030 27.719 33.265 -99.200 -91.000 TYR 289 0.840 83.660 31.838 35.930 -99.200 -91.000 HIS 295 0.900 74.031 29.497 39.077 -99.200 -91.000 TYR 304 0.840 79.367 39.192 25.683 -99.200 -91.000 HIS 311 0.900 73.607 32.771 42.777 -99.200 -91.000 PHE 325 1.000 57.781 24.003 36.776 -99.200 -91.000 PHE 336 1.000 44.712 20.979 27.010 -99.200 -91.000 TRP 342 1.040 41.336 27.653 30.979 -99.200 -91.000 TRP6 342 1.020 43.522 26.863 30.516 -99.200 -91.000 PHE 346 1.000 45.107 30.936 35.992 -99.200 -91.000 PHE 351 1.000 54.206 29.457 53.848 -99.200 -91.000 PHE 352 1.000 51.288 32.209 56.220 -99.200 -91.000 PHE 353 1.000 44.755 27.853 56.128 -99.200 -91.000 TYR 355 0.840 54.970 23.555 54.801 -99.200 -91.000 PHE 357 1.000 56.031 21.152 64.322 -99.200 -91.000 TYR 358 0.840 53.394 27.476 58.813 -99.200 -91.000 TYR 364 0.840 60.973 42.848 66.756 -99.200 -91.000 HIS 372 0.900 61.336 47.929 59.443 -99.200 -91.000 TRP 375 1.040 66.966 45.840 61.256 -99.200 -91.000 TRP6 375 1.020 68.801 44.353 61.261 -99.200 -91.000 HIS 400 0.900 56.900 26.425 50.559 -99.200 -91.000 PHE 402 1.000 53.206 33.488 51.661 -99.200 -91.000 PHE 406 1.000 52.123 38.144 56.019 -99.200 -91.000 TYR 410 0.840 52.485 47.573 67.186 -99.200 -91.000 TYR 418 0.840 62.808 48.302 70.013 -99.200 -91.000 TYR 425 0.840 55.159 40.345 65.319 -99.200 -91.000 HIS 428 0.900 45.310 34.187 68.046 -99.200 -91.000 TYR 451 0.840 58.820 52.253 60.694 -99.200 -91.000 TYR 456 0.840 55.026 34.413 59.382 -99.200 -91.000 PHE 461 1.000 60.862 20.002 62.202 -99.200 -91.000 HIS 473 0.900 66.382 26.932 69.582 -99.200 -91.000 PHE 479 1.000 68.950 35.073 59.013 -99.200 -91.000 PHE 486 1.000 76.549 41.529 55.575 -99.200 -91.000 TYR 490 0.840 72.129 47.329 59.794 -99.200 -91.000 HIS 493 0.900 70.744 43.446 71.287 -99.200 -91.000 PHE 496 1.000 69.185 49.664 63.021 -99.200 -91.000 PHE 502 1.000 59.244 24.943 66.369 -99.200 -91.000 TYR 506 0.840 48.620 24.988 68.470 -99.200 -91.000 PHE 513 1.000 45.509 32.304 59.690 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2o1pA1 GLN 4 HA -0.03 -0.00 0.18 -0.75 4.36 3.76 2o1pA1 GLN 4 HB2 0.18 0.01 0.06 -0.04 2.15 2.36 2o1pA1 GLN 4 HB3 0.06 -0.03 0.05 -0.04 2.02 2.06 2o1pA1 GLN 4 HG2 0.03 -0.02 -0.24 -0.04 2.40 2.12 2o1pA1 GLN 4 HG3 0.09 0.06 -0.24 -0.04 2.39 2.26 2o1pA1 GLN 4 HE21 0.03 -0.02 -0.04 -0.04 6.97 6.90 2o1pA1 GLN 4 HE22 0.05 0.07 -0.08 -0.04 7.69 7.69 2o1pA1 LYS 5 H -0.07 0.23 0.11 -0.55 8.42 8.14 2o1pA1 LYS 5 HA -0.02 0.09 0.48 -0.75 4.32 4.12 2o1pA1 LYS 5 HB2 -0.04 0.02 0.12 -0.04 1.87 1.93 2o1pA1 LYS 5 HB3 -0.03 -0.04 0.14 -0.04 1.79 1.82 2o1pA1 LYS 5 HG2 -0.09 -0.05 0.09 -0.04 1.46 1.37 2o1pA1 LYS 5 HG3 -0.09 0.13 -0.15 -0.04 1.46 1.31 2o1pA1 LYS 5 HD2 -0.04 -0.02 -0.03 -0.04 1.69 1.56 2o1pA1 LYS 5 HD3 -0.04 -0.07 0.03 -0.04 1.68 1.56 2o1pA1 LYS 5 HE2 -0.06 -0.06 0.04 -0.04 2.99 2.87 2o1pA1 LYS 5 HE3 -0.07 0.40 0.07 -0.04 2.99 3.35 2o1pA1 VAL 6 H -0.31 0.10 -0.36 -0.55 8.24 7.12 2o1pA1 VAL 6 HA -0.16 0.21 0.20 -0.75 4.13 3.62 2o1pA1 VAL 6 HB -0.25 -0.06 -0.44 -0.04 2.12 1.33 2o1pA1 VAL 6 HG13 -0.18 0.00 -0.16 -0.04 0.97 0.59 2o1pA1 VAL 6 HG23 -0.83 -0.01 -0.15 -0.04 0.95 -0.07 2o1pA1 PHE 7 H -0.20 0.35 -0.58 -0.55 8.34 7.35 2o1pA1 PHE 7 HA -0.01 0.27 0.93 -0.75 4.62 5.06 2o1pA1 PHE 7 HB2 -0.01 0.12 0.10 -0.04 3.15 3.32 2o1pA1 PHE 7 HB3 -0.02 -0.06 0.19 -0.04 3.06 3.13 2o1pA1 PHE 7 HD2 -0.00 0.12 0.03 -0.04 7.28 7.39 2o1pA1 PHE 7 HE2 0.00 -0.04 -0.01 -0.04 7.38 7.29 2o1pA1 PHE 7 HZ 0.00 -0.05 -0.02 -0.04 7.32 7.21 2o1pA1 GLY 8 H 0.02 0.51 -0.14 -0.55 8.43 8.27 2o1pA1 GLY 8 HA2 0.02 0.25 0.40 -0.51 4.01 4.17 2o1pA1 GLY 8 HA3 0.05 0.01 0.33 -0.51 4.01 3.89 2o1pA1 ILE 9 H 0.05 0.19 0.10 -0.55 8.25 8.04 2o1pA1 ILE 9 HA 0.04 0.13 0.29 -0.75 4.18 3.89 2o1pA1 ILE 9 HB 0.04 -0.03 0.07 -0.04 1.89 1.93 2o1pA1 ILE 9 HG12 0.06 0.11 -0.05 -0.04 1.49 1.57 2o1pA1 ILE 9 HG13 0.06 0.04 -0.10 -0.04 1.21 1.16 2o1pA1 ILE 9 HG23 0.04 0.01 -0.24 -0.04 0.93 0.69 2o1pA1 ILE 9 HD13 0.06 -0.02 -0.10 -0.04 0.88 0.79 2o1pA1 THR 10 H 0.04 0.17 -0.25 -0.55 8.28 7.69 2o1pA1 THR 10 HA 0.01 0.16 0.94 -0.75 4.39 4.75 2o1pA1 THR 10 HB -0.01 -0.04 0.14 -0.04 4.32 4.37 2o1pA1 THR 10 HG23 0.02 -0.04 -0.16 -0.04 1.22 1.00 2o1pA1 GLY 11 H 0.05 0.22 -0.28 -0.55 8.43 7.88 2o1pA1 GLY 11 HA2 0.07 0.08 0.29 -0.51 4.01 3.95 2o1pA1 GLY 11 HA3 -0.01 -0.03 0.50 -0.51 4.01 3.96 2o1pA1 PRO 12 HA -0.11 0.11 0.46 -0.51 4.44 4.39 2o1pA1 PRO 12 HB2 -0.16 -0.11 -0.17 -0.04 2.28 1.79 2o1pA1 PRO 12 HB3 -0.14 0.11 0.06 -0.04 2.02 2.00 2o1pA1 PRO 12 HG2 -0.19 -0.07 -0.04 -0.04 2.03 1.69 2o1pA1 PRO 12 HG3 -0.42 -0.03 0.03 -0.04 2.03 1.57 2o1pA1 PRO 12 HD2 -0.14 0.05 0.17 -0.04 3.68 3.72 2o1pA1 PRO 12 HD3 -0.21 0.10 0.22 -0.04 3.65 3.72 2o1pA1 VAL 13 H -0.34 0.26 0.37 -0.55 8.24 7.98 2o1pA1 VAL 13 HA -0.13 0.10 0.77 -0.75 4.13 4.11 2o1pA1 VAL 13 HB -0.78 0.03 0.13 -0.04 2.12 1.45 2o1pA1 VAL 13 HG13 -0.02 -0.04 -0.06 -0.04 0.97 0.81 2o1pA1 VAL 13 HG23 -0.13 0.01 0.06 -0.04 0.95 0.84 2o1pA1 SER 14 H -0.32 0.61 0.24 -0.55 8.46 8.45 2o1pA1 SER 14 HA -0.05 0.10 0.62 -0.75 4.49 4.41 2o1pA1 SER 14 HB2 0.08 0.10 -0.24 -0.04 3.95 3.84 2o1pA1 SER 14 HB3 0.23 -0.00 -0.00 -0.04 3.93 4.12 2o1pA1 THR 15 H -0.02 0.14 0.12 -0.55 8.28 7.96 2o1pA1 THR 15 HA -0.01 0.19 0.84 -0.75 4.39 4.66 2o1pA1 THR 15 HB -0.06 -0.01 0.14 -0.04 4.32 4.35 2o1pA1 THR 15 HG23 -0.18 0.03 -0.11 -0.04 1.22 0.92 2o1pA1 VAL 16 H 0.04 0.04 -0.07 -0.55 8.24 7.71 2o1pA1 VAL 16 HA 0.03 0.03 0.48 -0.75 4.13 3.91 2o1pA1 VAL 16 HB 0.06 -0.01 0.05 -0.04 2.12 2.19 2o1pA1 VAL 16 HG13 0.04 0.06 -0.03 -0.04 0.97 1.00 2o1pA1 VAL 16 HG23 0.03 -0.01 0.04 -0.04 0.95 0.97 2o1pA1 GLY 17 H 0.04 0.05 0.18 -0.55 8.43 8.15 2o1pA1 GLY 17 HA2 0.06 0.33 0.43 -0.51 4.01 4.32 2o1pA1 GLY 17 HA3 0.04 0.00 0.36 -0.51 4.01 3.90 2o1pA1 ALA 18 H 0.05 0.24 0.20 -0.55 8.40 8.35 2o1pA1 ALA 18 HA 0.06 -0.02 0.46 -0.75 4.34 4.08 2o1pA1 ALA 18 HB3 0.04 -0.03 0.12 -0.04 1.41 1.50 2o1pA1 THR 19 H 0.05 0.03 0.21 -0.55 8.28 8.02 2o1pA1 THR 19 HA 0.03 0.28 0.83 -0.75 4.39 4.78 2o1pA1 THR 19 HB 0.03 -0.05 0.20 -0.04 4.32 4.46 2o1pA1 THR 19 HG23 0.04 0.07 0.03 -0.04 1.22 1.31 2o1pA1 ALA 20 H 0.02 0.23 0.16 -0.55 8.40 8.26 2o1pA1 ALA 20 HA 0.01 0.11 0.44 -0.75 4.34 4.15 2o1pA1 ALA 20 HB3 0.01 0.04 0.13 -0.04 1.41 1.54 2o1pA1 ALA 21 H 0.01 0.11 -0.08 -0.55 8.40 7.90 2o1pA1 ALA 21 HA -0.01 0.11 0.34 -0.75 4.34 4.02 2o1pA1 ALA 21 HB3 0.00 0.04 0.08 -0.04 1.41 1.50 2o1pA1 GLU 22 H 0.02 0.02 -0.25 -0.55 8.60 7.84 2o1pA1 GLU 22 HA -0.05 0.13 0.54 -0.75 4.29 4.15 2o1pA1 GLU 22 HB2 0.06 -0.07 0.21 -0.04 2.09 2.25 2o1pA1 GLU 22 HB3 0.09 -0.05 0.07 -0.04 1.99 2.06 2o1pA1 GLU 22 HG2 0.24 0.08 0.04 -0.04 2.34 2.66 2o1pA1 GLU 22 HG3 0.10 -0.02 0.05 -0.04 2.34 2.42 2o1pA1 ASN 23 H 0.02 0.64 -0.07 -0.55 8.53 8.57 2o1pA1 ASN 23 HA 0.02 -0.07 0.51 -0.75 4.76 4.47 2o1pA1 ASN 23 HB2 0.01 0.15 0.15 -0.04 2.88 3.15 2o1pA1 ASN 23 HB3 0.01 -0.00 -0.01 -0.04 2.79 2.75 2o1pA1 ASN 23 HD21 0.02 0.02 -0.05 -0.04 7.03 6.99 2o1pA1 ASN 23 HD22 0.02 0.02 -0.08 -0.04 7.74 7.65 2o1pA1 LYS 24 H -0.00 0.52 -0.16 -0.55 8.42 8.23 2o1pA1 LYS 24 HA 0.01 0.02 0.48 -0.75 4.32 4.07 2o1pA1 LYS 24 HB2 -0.01 0.05 0.15 -0.04 1.87 2.02 2o1pA1 LYS 24 HB3 -0.03 0.24 0.18 -0.04 1.79 2.14 2o1pA1 LYS 24 HG2 -0.01 0.03 0.02 -0.04 1.46 1.45 2o1pA1 LYS 24 HG3 0.01 -0.04 -0.05 -0.04 1.46 1.33 2o1pA1 LYS 24 HD2 0.01 -0.04 0.06 -0.04 1.69 1.68 2o1pA1 LYS 24 HD3 -0.00 -0.00 0.02 -0.04 1.68 1.66 2o1pA1 LYS 24 HE2 -0.00 0.01 0.00 -0.04 2.99 2.95 2o1pA1 LYS 24 HE3 0.00 0.02 0.00 -0.04 2.99 2.97 2o1pA1 LEU 25 H -0.03 0.40 -0.18 -0.55 8.37 8.02 2o1pA1 LEU 25 HA 0.16 0.05 0.38 -0.75 4.35 4.18 2o1pA1 LEU 25 HB2 -0.11 0.07 0.13 -0.04 1.64 1.69 2o1pA1 LEU 25 HB3 0.15 -0.04 0.04 -0.04 1.64 1.75 2o1pA1 LEU 25 HG -0.18 0.05 0.08 -0.04 1.64 1.55 2o1pA1 LEU 25 HD13 -0.98 -0.00 0.00 -0.04 0.93 -0.09 2o1pA1 LEU 25 HD23 -0.30 0.02 -0.03 -0.04 0.89 0.53 2o1pA1 ASN 26 H 0.04 0.38 -0.18 -0.55 8.53 8.22 2o1pA1 ASN 26 HA -0.02 -0.01 0.57 -0.75 4.76 4.54 2o1pA1 ASN 26 HB2 0.03 -0.01 0.20 -0.04 2.88 3.05 2o1pA1 ASN 26 HB3 0.00 0.20 0.14 -0.04 2.79 3.10 2o1pA1 ASN 26 HD21 -0.03 0.02 0.06 -0.04 7.03 7.04 2o1pA1 ASN 26 HD22 -0.03 0.12 -0.10 -0.04 7.74 7.69 2o1pA1 ASP 27 H 0.02 0.53 -0.20 -0.55 8.40 8.20 2o1pA1 ASP 27 HA -0.03 0.02 0.49 -0.75 4.63 4.36 2o1pA1 ASP 27 HB2 0.01 0.18 0.19 -0.04 2.71 3.05 2o1pA1 ASP 27 HB3 -0.00 -0.03 0.07 -0.04 2.70 2.69 2o1pA1 SER 28 H 0.09 0.38 -0.07 -0.55 8.46 8.31 2o1pA1 SER 28 HA 0.06 0.06 0.68 -0.75 4.49 4.54 2o1pA1 SER 28 HB2 0.35 -0.06 0.07 -0.04 3.95 4.26 2o1pA1 SER 28 HB3 0.14 0.02 0.11 -0.04 3.93 4.16 2o1pA1 LEU 29 H -0.14 0.51 -0.19 -0.55 8.37 8.00 2o1pA1 LEU 29 HA -1.33 0.01 0.55 -0.75 4.35 2.83 2o1pA1 LEU 29 HB2 -0.95 0.14 0.19 -0.04 1.64 0.98 2o1pA1 LEU 29 HB3 -0.44 0.06 0.22 -0.04 1.64 1.43 2o1pA1 LEU 29 HG -1.58 -0.01 -0.01 -0.04 1.64 0.00 2o1pA1 LEU 29 HD13 -0.31 -0.02 -0.16 -0.04 0.93 0.40 2o1pA1 LEU 29 HD23 -1.01 -0.01 0.01 -0.04 0.89 -0.16 2o1pA1 ILE 30 H -0.16 0.62 0.04 -0.55 8.25 8.20 2o1pA1 ILE 30 HA 0.00 0.02 0.47 -0.75 4.18 3.92 2o1pA1 ILE 30 HB -0.06 0.09 0.18 -0.04 1.89 2.06 2o1pA1 ILE 30 HG12 0.00 -0.00 0.06 -0.04 1.49 1.51 2o1pA1 ILE 30 HG13 -0.07 0.00 0.12 -0.04 1.21 1.22 2o1pA1 ILE 30 HG23 -0.10 -0.00 -0.10 -0.04 0.93 0.69 2o1pA1 ILE 30 HD13 -0.05 -0.02 -0.00 -0.04 0.88 0.78 2o1pA1 GLN 31 H -0.05 0.43 -0.27 -0.55 8.47 8.03 2o1pA1 GLN 31 HA -0.00 0.00 0.42 -0.75 4.36 4.03 2o1pA1 GLN 31 HB2 -0.00 0.27 0.26 -0.04 2.15 2.63 2o1pA1 GLN 31 HB3 0.03 0.02 0.09 -0.04 2.02 2.11 2o1pA1 GLN 31 HG2 0.01 -0.01 0.03 -0.04 2.40 2.39 2o1pA1 GLN 31 HG3 0.02 -0.01 0.02 -0.04 2.39 2.37 2o1pA1 GLN 31 HE21 -0.02 -0.01 0.01 -0.04 6.97 6.91 2o1pA1 GLN 31 HE22 -0.00 0.01 0.02 -0.04 7.69 7.67 2o1pA1 GLU 32 H -0.04 0.67 -0.10 -0.55 8.60 8.59 2o1pA1 GLU 32 HA 0.07 0.02 0.57 -0.75 4.29 4.19 2o1pA1 GLU 32 HB2 0.16 -0.01 0.15 -0.04 2.09 2.35 2o1pA1 GLU 32 HB3 0.04 0.11 0.14 -0.04 1.99 2.24 2o1pA1 GLU 32 HG2 0.48 -0.07 -0.15 -0.04 2.34 2.55 2o1pA1 GLU 32 HG3 0.18 0.05 -0.17 -0.04 2.34 2.35 2o1pA1 LEU 33 H -0.06 0.60 -0.07 -0.55 8.37 8.29 2o1pA1 LEU 33 HA -0.18 0.04 0.48 -0.75 4.35 3.94 2o1pA1 LEU 33 HB2 0.05 0.13 0.19 -0.04 1.64 1.97 2o1pA1 LEU 33 HB3 -0.22 -0.06 -0.01 -0.04 1.64 1.30 2o1pA1 LEU 33 HG -0.16 0.05 0.01 -0.04 1.64 1.50 2o1pA1 LEU 33 HD13 -0.15 -0.02 -0.05 -0.04 0.93 0.67 2o1pA1 LEU 33 HD23 -0.33 -0.00 -0.11 -0.04 0.89 0.41 2o1pA1 LYS 34 H 0.12 0.63 -0.09 -0.55 8.42 8.52 2o1pA1 LYS 34 HA 0.25 -0.06 0.54 -0.75 4.32 4.29 2o1pA1 LYS 34 HB2 0.04 0.13 0.19 -0.04 1.87 2.19 2o1pA1 LYS 34 HB3 0.04 -0.03 0.02 -0.04 1.79 1.77 2o1pA1 LYS 34 HG2 0.02 -0.04 0.06 -0.04 1.46 1.46 2o1pA1 LYS 34 HG3 0.01 0.09 0.02 -0.04 1.46 1.54 2o1pA1 LYS 34 HD2 -0.05 0.00 -0.00 -0.04 1.69 1.60 2o1pA1 LYS 34 HD3 -0.08 -0.02 0.00 -0.04 1.68 1.54 2o1pA1 LYS 34 HE2 -0.27 -0.02 -0.02 -0.04 2.99 2.64 2o1pA1 LYS 34 HE3 -0.31 0.01 -0.06 -0.04 2.99 2.59 2o1pA1 LYS 35 H 0.02 0.38 -0.26 -0.55 8.42 8.01 2o1pA1 LYS 35 HA 0.01 0.05 0.52 -0.75 4.32 4.15 2o1pA1 LYS 35 HB2 0.03 -0.04 0.12 -0.04 1.87 1.93 2o1pA1 LYS 35 HB3 0.03 0.08 0.19 -0.04 1.79 2.05 2o1pA1 LYS 35 HG2 0.01 0.05 -0.14 -0.04 1.46 1.34 2o1pA1 LYS 35 HG3 0.02 -0.04 0.07 -0.04 1.46 1.46 2o1pA1 LYS 35 HD2 0.05 -0.01 0.01 -0.04 1.69 1.70 2o1pA1 LYS 35 HD3 0.04 -0.01 -0.03 -0.04 1.68 1.64 2o1pA1 LYS 35 HE2 0.03 -0.01 0.01 -0.04 2.99 2.98 2o1pA1 LYS 35 HE3 0.03 0.00 0.01 -0.04 2.99 2.99 2o1pA1 GLU 36 H -0.04 0.44 -0.09 -0.55 8.60 8.36 2o1pA1 GLU 36 HA -0.05 0.08 0.64 -0.75 4.29 4.21 2o1pA1 GLU 36 HB2 -0.19 0.02 0.09 -0.04 2.09 1.97 2o1pA1 GLU 36 HB3 -0.17 -0.01 0.10 -0.04 1.99 1.86 2o1pA1 GLU 36 HG2 -0.05 0.07 0.02 -0.04 2.34 2.33 2o1pA1 GLU 36 HG3 -0.28 -0.05 -0.05 -0.04 2.34 1.92 2o1pA1 GLY 37 H -0.03 0.19 -0.65 -0.55 8.43 7.39 2o1pA1 GLY 37 HA2 -0.02 0.05 0.26 -0.51 4.01 3.80 2o1pA1 GLY 37 HA3 -0.05 0.05 0.41 -0.51 4.01 3.91 2o1pA1 SER 38 H -0.16 0.55 0.03 -0.55 8.46 8.33 2o1pA1 SER 38 HA -0.28 0.09 0.35 -0.75 4.49 3.89 2o1pA1 SER 38 HB2 -0.39 0.02 0.05 -0.04 3.95 3.59 2o1pA1 SER 38 HB3 -0.92 -0.09 -0.07 -0.04 3.93 2.82 2o1pA1 PHE 39 H -0.02 0.06 -0.15 -0.55 8.34 7.68 2o1pA1 PHE 39 HA -0.15 0.19 0.74 -0.75 4.62 4.65 2o1pA1 PHE 39 HB2 -0.07 -0.05 0.05 -0.04 3.15 3.05 2o1pA1 PHE 39 HB3 -0.08 0.06 0.01 -0.04 3.06 3.01 2o1pA1 PHE 39 HD2 -0.10 0.03 -0.04 -0.04 7.28 7.13 2o1pA1 PHE 39 HE2 -0.10 0.02 -0.06 -0.04 7.38 7.21 2o1pA1 PHE 39 HZ -0.11 -0.05 -0.01 -0.04 7.32 7.11 2o1pA1 GLU 40 H -0.05 0.17 0.10 -0.55 8.60 8.27 2o1pA1 GLU 40 HA 0.02 0.11 0.63 -0.75 4.29 4.30 2o1pA1 GLU 40 HB2 0.05 -0.12 0.08 -0.04 2.09 2.06 2o1pA1 GLU 40 HB3 0.01 0.04 -0.13 -0.04 1.99 1.86 2o1pA1 GLU 40 HG2 0.02 0.02 -0.11 -0.04 2.34 2.23 2o1pA1 GLU 40 HG3 0.08 0.20 -0.27 -0.04 2.34 2.32 2o1pA1 THR 41 H 0.03 0.07 0.14 -0.55 8.28 7.97 2o1pA1 THR 41 HA 0.02 0.24 0.63 -0.75 4.39 4.52 2o1pA1 THR 41 HB 0.01 -0.03 0.18 -0.04 4.32 4.44 2o1pA1 THR 41 HG23 0.01 0.05 0.08 -0.04 1.22 1.32 2o1pA1 GLU 42 H 0.02 0.20 0.17 -0.55 8.60 8.43 2o1pA1 GLU 42 HA 0.05 0.17 0.31 -0.75 4.29 4.05 2o1pA1 GLU 42 HB2 0.00 0.06 0.14 -0.04 2.09 2.25 2o1pA1 GLU 42 HB3 0.01 -0.00 0.03 -0.04 1.99 1.99 2o1pA1 GLU 42 HG2 0.02 -0.02 0.01 -0.04 2.34 2.31 2o1pA1 GLU 42 HG3 0.03 0.05 0.05 -0.04 2.34 2.43 2o1pA1 GLN 43 H 0.02 0.08 -0.11 -0.55 8.47 7.92 2o1pA1 GLN 43 HA 0.03 0.13 0.57 -0.75 4.36 4.33 2o1pA1 GLN 43 HB2 0.02 -0.04 0.09 -0.04 2.15 2.19 2o1pA1 GLN 43 HB3 0.02 0.08 -0.10 -0.04 2.02 1.98 2o1pA1 GLN 43 HG2 0.01 0.01 0.04 -0.04 2.40 2.41 2o1pA1 GLN 43 HG3 0.01 0.06 0.01 -0.04 2.39 2.43 2o1pA1 GLN 43 HE21 0.02 0.03 -0.02 -0.04 6.97 6.96 2o1pA1 GLN 43 HE22 0.02 0.01 -0.05 -0.04 7.69 7.63 2o1pA1 GLU 44 H 0.04 0.10 -0.26 -0.55 8.60 7.94 2o1pA1 GLU 44 HA 0.05 0.08 0.34 -0.75 4.29 4.00 2o1pA1 GLU 44 HB2 0.06 0.16 0.09 -0.04 2.09 2.36 2o1pA1 GLU 44 HB3 0.07 0.05 0.02 -0.04 1.99 2.09 2o1pA1 GLU 44 HG2 0.03 0.07 0.05 -0.04 2.34 2.44 2o1pA1 GLU 44 HG3 0.03 -0.10 0.07 -0.04 2.34 2.30 2o1pA1 THR 45 H 0.09 0.31 -0.39 -0.55 8.28 7.74 2o1pA1 THR 45 HA 0.18 0.05 0.52 -0.75 4.39 4.38 2o1pA1 THR 45 HB 0.10 0.14 0.06 -0.04 4.32 4.58 2o1pA1 THR 45 HG23 0.19 -0.00 -0.03 -0.04 1.22 1.35 2o1pA1 ALA 46 H 0.06 0.44 -0.05 -0.55 8.40 8.31 2o1pA1 ALA 46 HA 0.05 0.02 0.55 -0.75 4.34 4.21 2o1pA1 ALA 46 HB3 0.03 0.01 0.16 -0.04 1.41 1.58 2o1pA1 ASN 47 H 0.05 0.78 -0.09 -0.55 8.53 8.72 2o1pA1 ASN 47 HA 0.04 0.01 0.51 -0.75 4.76 4.56 2o1pA1 ASN 47 HB2 0.04 0.14 0.14 -0.04 2.88 3.16 2o1pA1 ASN 47 HB3 0.04 0.01 0.04 -0.04 2.79 2.83 2o1pA1 ASN 47 HD21 0.02 -0.05 -0.06 -0.04 7.03 6.90 2o1pA1 ASN 47 HD22 0.02 0.05 -0.01 -0.04 7.74 7.76 2o1pA1 ARG 48 H 0.06 0.38 -0.22 -0.55 8.46 8.12 2o1pA1 ARG 48 HA -0.03 0.03 0.44 -0.75 4.34 4.03 2o1pA1 ARG 48 HB2 0.09 0.11 0.21 -0.04 1.90 2.28 2o1pA1 ARG 48 HB3 -0.21 -0.04 -0.02 -0.04 1.80 1.49 2o1pA1 ARG 48 HG2 -0.05 -0.05 0.02 -0.04 1.67 1.55 2o1pA1 ARG 48 HG3 0.06 0.25 0.08 -0.04 1.67 2.01 2o1pA1 ARG 48 HD2 0.23 -0.01 -0.04 -0.04 3.22 3.35 2o1pA1 ARG 48 HD3 -0.15 -0.03 -0.05 -0.04 3.22 2.94 2o1pA1 VAL 49 H 0.07 0.58 -0.06 -0.55 8.24 8.28 2o1pA1 VAL 49 HA 0.05 0.01 0.37 -0.75 4.13 3.81 2o1pA1 VAL 49 HB 0.06 0.14 0.16 -0.04 2.12 2.43 2o1pA1 VAL 49 HG13 0.04 -0.02 -0.08 -0.04 0.97 0.88 2o1pA1 VAL 49 HG23 0.11 0.03 0.05 -0.04 0.95 1.10 2o1pA1 GLN 50 H 0.04 0.37 -0.45 -0.55 8.47 7.88 2o1pA1 GLN 50 HA 0.03 0.02 0.46 -0.75 4.36 4.11 2o1pA1 GLN 50 HB2 0.03 0.11 0.13 -0.04 2.15 2.39 2o1pA1 GLN 50 HB3 0.05 0.13 0.17 -0.04 2.02 2.32 2o1pA1 GLN 50 HG2 0.04 -0.02 -0.00 -0.04 2.40 2.38 2o1pA1 GLN 50 HG3 0.06 -0.03 -0.13 -0.04 2.39 2.25 2o1pA1 GLN 50 HE21 0.03 0.00 0.00 -0.04 6.97 6.96 2o1pA1 GLN 50 HE22 0.04 -0.01 -0.01 -0.04 7.69 7.66 2o1pA1 VAL 51 H 0.04 0.58 -0.02 -0.55 8.24 8.30 2o1pA1 VAL 51 HA 0.12 -0.02 0.45 -0.75 4.13 3.92 2o1pA1 VAL 51 HB 0.01 0.15 0.18 -0.04 2.12 2.41 2o1pA1 VAL 51 HG13 -0.18 -0.02 -0.15 -0.04 0.97 0.57 2o1pA1 VAL 51 HG23 0.26 0.04 0.04 -0.04 0.95 1.26 2o1pA1 LEU 52 H -0.04 0.53 -0.29 -0.55 8.37 8.03 2o1pA1 LEU 52 HA -0.09 0.01 0.47 -0.75 4.35 3.99 2o1pA1 LEU 52 HB2 -0.03 0.10 0.08 -0.04 1.64 1.75 2o1pA1 LEU 52 HB3 -0.04 -0.03 -0.03 -0.04 1.64 1.50 2o1pA1 LEU 52 HG -0.17 0.13 -0.05 -0.04 1.64 1.51 2o1pA1 LEU 52 HD13 -0.17 -0.02 -0.13 -0.04 0.93 0.56 2o1pA1 LEU 52 HD23 -0.13 -0.02 -0.12 -0.04 0.89 0.58 2o1pA1 LYS 53 H -0.01 0.54 -0.09 -0.55 8.42 8.31 2o1pA1 LYS 53 HA -0.01 0.02 0.54 -0.75 4.32 4.12 2o1pA1 ILE 54 H 0.00 0.49 -0.19 -0.55 8.25 8.01 2o1pA1 ILE 54 HA 0.02 0.02 0.47 -0.75 4.18 3.94 2o1pA1 ILE 54 HB 0.03 0.13 0.13 -0.04 1.89 2.13 2o1pA1 ILE 54 HG12 0.07 -0.05 0.02 -0.04 1.49 1.49 2o1pA1 ILE 54 HG13 0.06 0.09 0.04 -0.04 1.21 1.36 2o1pA1 ILE 54 HG23 0.11 -0.02 -0.06 -0.04 0.93 0.91 2o1pA1 ILE 54 HD13 0.17 -0.02 -0.05 -0.04 0.88 0.94 2o1pA1 LEU 55 H -0.09 0.49 -0.17 -0.55 8.37 8.05 2o1pA1 LEU 55 HA -0.03 -0.00 0.44 -0.75 4.35 4.00 2o1pA1 LEU 55 HB2 -0.08 0.11 0.11 -0.04 1.64 1.74 2o1pA1 LEU 55 HB3 0.01 -0.06 -0.03 -0.04 1.64 1.53 2o1pA1 LEU 55 HG -0.38 0.23 0.05 -0.04 1.64 1.50 2o1pA1 LEU 55 HD13 -0.21 -0.02 -0.11 -0.04 0.93 0.55 2o1pA1 LEU 55 HD23 -0.30 -0.02 -0.07 -0.04 0.89 0.46 2o1pA1 GLN 56 H -0.02 0.54 -0.16 -0.55 8.47 8.29 2o1pA1 GLN 56 HA -0.00 -0.02 0.52 -0.75 4.36 4.10 2o1pA1 GLN 56 HB2 -0.03 0.04 0.16 -0.04 2.15 2.27 2o1pA1 GLN 56 HB3 -0.01 0.20 0.19 -0.04 2.02 2.36 2o1pA1 GLN 56 HG2 -0.04 -0.01 0.05 -0.04 2.40 2.37 2o1pA1 GLN 56 HG3 -0.02 -0.00 -0.15 -0.04 2.39 2.18 2o1pA1 GLN 56 HE21 -0.05 0.15 0.23 -0.04 6.97 7.25 2o1pA1 GLN 56 HE22 -0.02 -0.01 0.04 -0.04 7.69 7.66 2o1pA1 GLU 57 H 0.02 0.40 -0.21 -0.55 8.60 8.26 2o1pA1 GLU 57 HA 0.03 0.07 0.56 -0.75 4.29 4.19 2o1pA1 GLU 57 HB2 0.03 0.15 0.17 -0.04 2.09 2.39 2o1pA1 GLU 57 HB3 0.02 -0.06 0.02 -0.04 1.99 1.93 2o1pA1 GLU 57 HG2 0.01 -0.03 0.04 -0.04 2.34 2.32 2o1pA1 GLU 57 HG3 0.01 0.10 0.06 -0.04 2.34 2.47 2o1pA1 LEU 58 H 0.07 0.45 -0.15 -0.55 8.37 8.19 2o1pA1 LEU 58 HA 0.13 0.01 0.50 -0.75 4.35 4.23 2o1pA1 LEU 58 HB2 0.15 0.09 0.15 -0.04 1.64 1.99 2o1pA1 LEU 58 HB3 0.15 -0.06 -0.05 -0.04 1.64 1.64 2o1pA1 LEU 58 HG 0.03 0.11 0.00 -0.04 1.64 1.74 2o1pA1 LEU 58 HD13 -0.11 -0.02 -0.13 -0.04 0.93 0.64 2o1pA1 LEU 58 HD23 0.01 -0.02 -0.06 -0.04 0.89 0.78 2o1pA1 ALA 59 H 0.20 0.76 -0.03 -0.55 8.40 8.78 2o1pA1 ALA 59 HA 0.26 -0.07 0.41 -0.75 4.34 4.19 2o1pA1 ALA 59 HB3 0.04 0.03 -0.02 -0.04 1.41 1.42 2o1pA1 GLN 60 H 0.09 0.38 -0.37 -0.55 8.47 8.02 2o1pA1 GLN 60 HA 0.06 0.37 0.65 -0.75 4.36 4.68 2o1pA1 GLN 60 HB2 0.04 0.05 0.18 -0.04 2.15 2.38 2o1pA1 GLN 60 HB3 0.04 -0.11 0.05 -0.04 2.02 1.96 2o1pA1 GLN 60 HG2 0.02 0.09 0.08 -0.04 2.40 2.55 2o1pA1 GLN 60 HG3 0.02 0.11 0.01 -0.04 2.39 2.49 2o1pA1 GLN 60 HE21 -0.00 -0.10 0.03 -0.04 6.97 6.86 2o1pA1 GLN 60 HE22 0.01 0.03 0.06 -0.04 7.69 7.75 2o1pA1 ARG 61 H 0.13 0.49 -0.08 -0.55 8.46 8.45 2o1pA1 ARG 61 HA 0.15 -0.00 0.51 -0.75 4.34 4.24 2o1pA1 ARG 61 HB2 0.14 0.10 0.26 -0.04 1.90 2.36 2o1pA1 ARG 61 HB3 0.16 -0.05 -0.05 -0.04 1.80 1.82 2o1pA1 ARG 61 HG2 0.03 0.03 0.04 -0.04 1.67 1.74 2o1pA1 ARG 61 HG3 0.06 -0.01 0.00 -0.04 1.67 1.67 2o1pA1 ARG 61 HD2 0.07 -0.01 -0.02 -0.04 3.22 3.22 2o1pA1 ARG 61 HD3 0.10 -0.05 0.02 -0.04 3.22 3.25 2o1pA1 PHE 62 H 0.37 0.83 0.04 -0.55 8.34 9.02 2o1pA1 PHE 62 HA 0.16 -0.08 0.30 -0.75 4.62 4.24 2o1pA1 PHE 62 HB2 0.48 -0.03 0.02 -0.04 3.15 3.57 2o1pA1 PHE 62 HB3 0.13 0.19 0.16 -0.04 3.06 3.51 2o1pA1 PHE 62 HD2 -0.06 0.00 -0.07 -0.04 7.28 7.11 2o1pA1 PHE 62 HE2 -0.05 -0.05 -0.30 -0.04 7.38 6.95 2o1pA1 PHE 62 HZ 0.05 -0.02 -0.20 -0.04 7.32 7.11 2o1pA1 VAL 63 H 0.01 0.72 -0.21 -0.55 8.24 8.20 2o1pA1 VAL 63 HA -0.44 -0.11 0.28 -0.75 4.13 3.11 2o1pA1 VAL 63 HB -0.05 0.33 0.13 -0.04 2.12 2.49 2o1pA1 VAL 63 HG13 -0.09 -0.03 -0.33 -0.04 0.97 0.48 2o1pA1 VAL 63 HG23 -0.30 -0.01 0.01 -0.04 0.95 0.61 2o1pA1 TYR 64 H 0.17 0.77 -0.15 -0.55 8.29 8.52 2o1pA1 TYR 64 HA 0.01 0.01 0.33 -0.75 4.56 4.16 2o1pA1 TYR 64 HB2 0.02 0.14 0.14 -0.04 3.06 3.33 2o1pA1 TYR 64 HB3 0.04 0.01 0.25 -0.04 2.98 3.24 2o1pA1 TYR 64 HD2 0.02 0.06 -0.24 -0.04 7.15 6.95 2o1pA1 TYR 64 HE2 0.01 -0.01 -0.03 -0.04 6.85 6.78 2o1pA1 GLU 65 H 0.18 0.92 -0.04 -0.55 8.60 9.12 2o1pA1 GLU 65 HA 0.01 -0.04 0.34 -0.75 4.29 3.84 2o1pA1 GLU 65 HB2 0.17 0.15 0.10 -0.04 2.09 2.46 2o1pA1 GLU 65 HB3 0.10 -0.08 -0.04 -0.04 1.99 1.93 2o1pA1 GLU 65 HG2 0.13 -0.05 -0.00 -0.04 2.34 2.38 2o1pA1 GLU 65 HG3 0.22 0.04 -0.02 -0.04 2.34 2.54 2o1pA1 VAL 66 H 0.01 0.66 -0.00 -0.55 8.24 8.36 2o1pA1 VAL 66 HA 0.03 -0.06 0.43 -0.75 4.13 3.77 2o1pA1 VAL 66 HB -0.16 0.18 0.11 -0.04 2.12 2.21 2o1pA1 VAL 66 HG13 0.01 -0.04 -0.06 -0.04 0.97 0.83 2o1pA1 VAL 66 HG23 0.05 -0.01 0.03 -0.04 0.95 0.98 2o1pA1 SER 67 H -0.04 0.67 -0.27 -0.55 8.46 8.28 2o1pA1 SER 67 HA -0.01 -0.01 0.29 -0.75 4.49 4.01 2o1pA1 SER 67 HB2 -0.13 0.18 0.15 -0.04 3.95 4.10 2o1pA1 SER 67 HB3 -0.12 -0.14 -0.03 -0.04 3.93 3.60 2o1pA1 LYS 68 H -0.20 0.56 -0.08 -0.55 8.42 8.14 2o1pA1 LYS 68 HA -0.16 0.10 0.46 -0.75 4.32 3.97 2o1pA1 LYS 68 HB2 -0.23 0.14 0.17 -0.04 1.87 1.91 2o1pA1 LYS 68 HB3 -0.10 -0.06 -0.04 -0.04 1.79 1.54 2o1pA1 LYS 68 HG2 -0.50 -0.01 -0.05 -0.04 1.46 0.87 2o1pA1 LYS 68 HG3 -0.33 -0.06 -0.04 -0.04 1.46 0.99 2o1pA1 LYS 68 HD2 -0.05 -0.05 -0.01 -0.04 1.69 1.53 2o1pA1 LYS 68 HD3 -0.10 0.10 0.06 -0.04 1.68 1.69 2o1pA1 LYS 68 HE2 -0.01 -0.06 -0.03 -0.04 2.99 2.85 2o1pA1 LYS 68 HE3 -0.01 -0.06 -0.00 -0.04 2.99 2.88 2o1pA1 LYS 69 H -0.04 0.57 -0.14 -0.55 8.42 8.26 2o1pA1 LYS 69 HA -0.01 0.03 0.61 -0.75 4.32 4.20 2o1pA1 LYS 69 HB2 0.01 0.14 0.17 -0.04 1.87 2.16 2o1pA1 LYS 69 HB3 0.01 -0.06 0.00 -0.04 1.79 1.70 2o1pA1 LYS 69 HG2 0.03 -0.07 0.02 -0.04 1.46 1.40 2o1pA1 LYS 69 HG3 0.01 -0.02 0.04 -0.04 1.46 1.44 2o1pA1 LYS 69 HD2 0.03 -0.07 -0.04 -0.04 1.69 1.57 2o1pA1 LYS 69 HD3 0.01 0.23 -0.01 -0.04 1.68 1.87 2o1pA1 LYS 69 HE2 0.07 -0.07 -0.23 -0.04 2.99 2.72 2o1pA1 LYS 69 HE3 0.05 0.04 -0.08 -0.04 2.99 2.95 2o1pA1 LYS 70 H -0.03 0.53 -0.12 -0.55 8.42 8.25 2o1pA1 LYS 70 HA -0.02 0.06 0.70 -0.75 4.32 4.31 2o1pA1 LYS 70 HB2 0.00 0.14 0.17 -0.04 1.87 2.15 2o1pA1 LYS 70 HB3 -0.10 -0.07 0.25 -0.04 1.79 1.83 2o1pA1 LYS 70 HG2 0.08 0.07 0.09 -0.04 1.46 1.67 2o1pA1 LYS 70 HG3 0.00 -0.07 0.10 -0.04 1.46 1.45 2o1pA1 LYS 70 HD2 0.03 -0.08 0.01 -0.04 1.69 1.61 2o1pA1 LYS 70 HD3 0.01 0.04 -0.10 -0.04 1.68 1.59 2o1pA1 LYS 70 HE2 0.04 -0.10 -0.02 -0.04 2.99 2.87 2o1pA1 LYS 70 HE3 0.05 0.28 0.06 -0.04 2.99 3.34 2o1pA1 ASN 71 H -0.05 0.24 -1.02 -0.55 8.53 7.16 2o1pA1 ASN 71 HA -0.04 0.04 0.25 -0.75 4.76 4.26 2o1pA1 ASN 71 HB2 -0.05 0.18 -0.06 -0.04 2.88 2.90 2o1pA1 ASN 71 HB3 -0.04 -0.10 0.09 -0.04 2.79 2.70 2o1pA1 ASN 71 HD21 -0.02 -0.04 -0.05 -0.04 7.03 6.88 2o1pA1 ASN 71 HD22 -0.03 -0.03 -0.07 -0.04 7.74 7.58 2o1pA1 MET 72 H -0.10 0.51 -0.27 -0.55 8.47 8.06 2o1pA1 MET 72 HA -0.08 -0.02 0.29 -0.75 4.52 3.96 2o1pA1 MET 72 HB2 -0.15 0.20 -0.14 -0.04 2.15 2.02 2o1pA1 MET 72 HB3 -0.12 -0.13 -0.08 -0.04 2.03 1.66 2o1pA1 MET 72 HG2 -0.14 -0.13 -0.01 -0.04 2.63 2.31 2o1pA1 MET 72 HG3 -0.16 0.19 -0.03 -0.04 2.56 2.52 2o1pA1 MET 72 HE3 -0.15 -0.03 -0.20 -0.04 2.10 1.68 2o1pA1 SER 73 H -0.05 0.07 0.17 -0.55 8.46 8.10 2o1pA1 SER 73 HA -0.03 0.17 0.61 -0.75 4.49 4.49 2o1pA1 SER 73 HB2 -0.02 0.14 0.17 -0.04 3.95 4.20 2o1pA1 SER 73 HB3 -0.02 -0.15 0.10 -0.04 3.93 3.82 2o1pA1 ASP 74 H 0.01 0.19 0.17 -0.55 8.40 8.22 2o1pA1 ASP 74 HA 0.09 0.16 0.39 -0.75 4.63 4.52 2o1pA1 ASP 74 HB2 0.06 -0.06 0.13 -0.04 2.71 2.80 2o1pA1 ASP 74 HB3 0.13 0.06 0.00 -0.04 2.70 2.85 2o1pA1 GLY 75 H 0.03 0.08 -0.11 -0.55 8.43 7.88 2o1pA1 GLY 75 HA2 0.04 0.11 0.39 -0.51 4.01 4.04 2o1pA1 GLY 75 HA3 0.02 0.05 0.27 -0.51 4.01 3.84 2o1pA1 MET 76 H -0.00 0.01 -0.31 -0.55 8.47 7.62 2o1pA1 MET 76 HA -0.00 0.07 0.35 -0.75 4.52 4.18 2o1pA1 MET 76 HB2 -0.04 -0.12 0.11 -0.04 2.15 2.06 2o1pA1 MET 76 HB3 -0.07 0.11 -0.09 -0.04 2.03 1.94 2o1pA1 MET 76 HG2 -0.03 0.05 0.01 -0.04 2.63 2.61 2o1pA1 MET 76 HG3 -0.02 -0.06 -0.01 -0.04 2.56 2.43 2o1pA1 MET 76 HE3 -0.05 0.01 -0.02 -0.04 2.10 2.01 2o1pA1 ALA 77 H -0.04 0.72 -0.13 -0.55 8.40 8.41 2o1pA1 ALA 77 HA -0.06 0.05 0.41 -0.75 4.34 3.99 2o1pA1 ALA 77 HB3 -0.35 0.03 -0.01 -0.04 1.41 1.03 2o1pA1 ARG 78 H 0.15 0.57 -0.18 -0.55 8.46 8.45 2o1pA1 ARG 78 HA 0.21 0.07 0.48 -0.75 4.34 4.35 2o1pA1 ASP 79 H 0.05 0.49 -0.11 -0.55 8.40 8.28 2o1pA1 ASP 79 HA 0.03 -0.03 0.43 -0.75 4.63 4.31 2o1pA1 ASP 79 HB2 0.02 0.06 0.16 -0.04 2.71 2.91 2o1pA1 ASP 79 HB3 0.02 -0.08 -0.02 -0.04 2.70 2.57 2o1pA1 ALA 80 H 0.05 0.39 -0.41 -0.55 8.40 7.89 2o1pA1 ALA 80 HA 0.06 -0.02 0.40 -0.75 4.34 4.02 2o1pA1 ALA 80 HB3 0.09 0.05 0.07 -0.04 1.41 1.58 2o1pA1 GLY 81 H 0.05 0.29 -0.35 -0.55 8.43 7.88 2o1pA1 GLY 81 HA2 0.02 0.01 0.29 -0.51 4.01 3.82 2o1pA1 GLY 81 HA3 0.01 0.15 0.19 -0.51 4.01 3.85 2o1pA1 GLY 82 H -0.01 0.21 0.34 -0.55 8.43 8.42 2o1pA1 GLY 82 HA2 -0.04 0.15 0.58 -0.51 4.01 4.20 2o1pA1 GLY 82 HA3 -0.03 0.12 0.79 -0.51 4.01 4.38 2o1pA1 LYS 83 H -0.00 0.43 0.31 -0.55 8.42 8.60 2o1pA1 LYS 83 HA -0.09 0.10 0.77 -0.75 4.32 4.35 2o1pA1 LYS 83 HB2 -0.06 0.12 -0.32 -0.04 1.87 1.56 2o1pA1 LYS 83 HB3 -0.05 -0.08 -0.06 -0.04 1.79 1.56 2o1pA1 LYS 83 HG2 -0.57 0.07 -0.04 -0.04 1.46 0.88 2o1pA1 LYS 83 HG3 -0.21 -0.02 0.13 -0.04 1.46 1.32 2o1pA1 LYS 83 HD2 -0.12 0.08 -0.01 -0.04 1.69 1.60 2o1pA1 LYS 83 HD3 -0.28 -0.09 -0.10 -0.04 1.68 1.17 2o1pA1 LYS 83 HE2 -0.70 -0.07 0.01 -0.04 2.99 2.18 2o1pA1 LYS 83 HE3 -0.25 -0.07 0.09 -0.04 2.99 2.73 2o1pA1 ILE 84 H -0.17 0.18 0.21 -0.55 8.25 7.92 2o1pA1 ILE 84 HA 0.02 0.37 1.25 -0.75 4.18 5.06 2o1pA1 ILE 84 HB 0.01 0.03 -0.00 -0.04 1.89 1.88 2o1pA1 ILE 84 HG12 -0.03 -0.04 -0.12 -0.04 1.49 1.26 2o1pA1 ILE 84 HG13 -0.10 -0.03 0.16 -0.04 1.21 1.20 2o1pA1 ILE 84 HG23 -0.01 -0.02 -0.17 -0.04 0.93 0.70 2o1pA1 ILE 84 HD13 -0.04 -0.00 -0.21 -0.04 0.88 0.59 2o1pA1 PHE 85 H 0.27 0.63 0.42 -0.55 8.34 9.11 2o1pA1 PHE 85 HA 0.05 0.19 0.86 -0.75 4.62 4.96 2o1pA1 PHE 85 HB2 0.04 -0.08 0.01 -0.04 3.15 3.07 2o1pA1 PHE 85 HB3 0.06 0.05 0.07 -0.04 3.06 3.19 2o1pA1 PHE 85 HD2 0.00 0.03 -0.06 -0.04 7.28 7.20 2o1pA1 PHE 85 HE2 -0.01 0.02 -0.10 -0.04 7.38 7.24 2o1pA1 PHE 85 HZ -0.01 0.04 -0.27 -0.04 7.32 7.04 2o1pA1 THR 86 H 0.22 0.22 0.19 -0.55 8.28 8.36 2o1pA1 THR 86 HA 0.22 0.25 1.12 -0.75 4.39 5.22 2o1pA1 THR 86 HB 0.18 0.05 0.12 -0.04 4.32 4.62 2o1pA1 THR 86 HG23 0.08 -0.00 -0.15 -0.04 1.22 1.10 2o1pA1 TYR 87 H 0.03 0.53 0.18 -0.55 8.29 8.47 2o1pA1 TYR 87 HA 0.08 0.21 0.62 -0.75 4.56 4.72 2o1pA1 TYR 87 HB2 0.05 -0.09 0.02 -0.04 3.06 3.00 2o1pA1 TYR 87 HB3 0.04 0.05 -0.22 -0.04 2.98 2.82 2o1pA1 TYR 87 HD2 0.05 -0.03 -0.21 -0.04 7.15 6.92 2o1pA1 TYR 87 HE2 0.03 0.03 -0.29 -0.04 6.85 6.59 2o1pA1 GLY 88 H 0.24 0.17 0.10 -0.55 8.43 8.39 2o1pA1 GLY 88 HA2 0.09 0.07 0.31 -0.51 4.01 3.98 2o1pA1 GLY 88 HA3 -0.06 0.03 0.39 -0.51 4.01 3.86 2o1pA1 SER 89 H 0.05 0.15 0.16 -0.55 8.46 8.28 2o1pA1 SER 89 HA 0.08 0.08 0.29 -0.75 4.49 4.19 2o1pA1 SER 89 HB2 0.07 0.01 0.18 -0.04 3.95 4.17 2o1pA1 SER 89 HB3 0.11 0.04 -0.09 -0.04 3.93 3.95 2o1pA1 TYR 90 H 0.13 0.16 -0.06 -0.55 8.29 7.96 2o1pA1 TYR 90 HA -0.15 0.01 0.40 -0.75 4.56 4.07 2o1pA1 TYR 90 HB2 -0.12 0.07 0.09 -0.04 3.06 3.06 2o1pA1 TYR 90 HB3 -0.09 0.02 0.14 -0.04 2.98 3.01 2o1pA1 TYR 90 HD2 -0.37 0.00 -0.13 -0.04 7.15 6.61 2o1pA1 TYR 90 HE2 -0.15 0.00 -0.07 -0.04 6.85 6.58 2o1pA1 ARG 91 H 0.10 0.30 -0.32 -0.55 8.46 7.98 2o1pA1 ARG 91 HA -0.07 0.08 0.34 -0.75 4.34 3.94 2o1pA1 ARG 91 HB2 0.15 -0.04 -0.44 -0.04 1.90 1.52 2o1pA1 ARG 91 HB3 0.11 -0.07 -0.24 -0.04 1.80 1.57 2o1pA1 ARG 91 HG2 0.13 -0.00 -0.03 -0.04 1.67 1.73 2o1pA1 ARG 91 HG3 0.08 0.03 -0.28 -0.04 1.67 1.45 2o1pA1 ARG 91 HD2 0.05 -0.01 0.05 -0.04 3.22 3.27 2o1pA1 ARG 91 HD3 0.13 0.02 0.06 -0.04 3.22 3.39 2o1pA1 LEU 92 H 0.05 0.31 -0.34 -0.55 8.37 7.85 2o1pA1 LEU 92 HA 0.12 0.12 0.50 -0.75 4.35 4.34 2o1pA1 LEU 92 HB2 0.09 -0.02 -0.02 -0.04 1.64 1.64 2o1pA1 LEU 92 HB3 0.16 0.02 -0.05 -0.04 1.64 1.72 2o1pA1 LEU 92 HG 0.13 0.02 -0.12 -0.04 1.64 1.63 2o1pA1 LEU 92 HD13 0.18 -0.03 -0.13 -0.04 0.93 0.91 2o1pA1 LEU 92 HD23 0.23 0.02 -0.06 -0.04 0.89 1.03 2o1pA1 GLY 93 H -0.03 0.21 -0.34 -0.55 8.43 7.73 2o1pA1 GLY 93 HA2 0.02 0.04 0.30 -0.51 4.01 3.86 2o1pA1 GLY 93 HA3 0.03 0.13 0.62 -0.51 4.01 4.27 2o1pA1 VAL 94 H 0.09 0.32 0.04 -0.55 8.24 8.14 2o1pA1 VAL 94 HA -0.08 0.26 0.88 -0.75 4.13 4.43 2o1pA1 VAL 94 HB -0.11 -0.00 0.10 -0.04 2.12 2.06 2o1pA1 VAL 94 HG13 -0.16 0.03 -0.17 -0.04 0.97 0.62 2o1pA1 VAL 94 HG23 0.01 -0.03 -0.11 -0.04 0.95 0.78 2o1pA1 HIS 95 H 0.44 0.04 -0.17 -0.55 8.41 8.18 2o1pA1 HIS 95 HA -0.01 -0.02 0.40 -0.75 4.63 4.25 2o1pA1 HIS 95 HB2 0.09 0.08 -0.03 -0.04 3.26 3.36 2o1pA1 HIS 95 HB3 0.11 -0.14 -0.17 -0.04 3.20 2.96 2o1pA1 HIS 95 HD2 0.14 0.02 -0.21 -0.04 6.97 6.88 2o1pA1 HIS 95 HE1 -0.06 0.06 -0.05 -0.04 7.75 7.66 2o1pA1 GLY 96 H 0.01 0.03 0.16 -0.55 8.43 8.08 2o1pA1 GLY 96 HA2 -0.18 0.24 0.88 -0.51 4.01 4.44 2o1pA1 GLY 96 HA3 -0.12 0.16 0.34 -0.51 4.01 3.88 2o1pA1 PRO 97 HA 0.02 -0.08 0.50 -0.51 4.44 4.36 2o1pA1 PRO 97 HB2 -0.02 0.05 0.01 -0.04 2.28 2.28 2o1pA1 PRO 97 HB3 -0.00 -0.06 0.12 -0.04 2.02 2.03 2o1pA1 PRO 97 HG2 -0.05 0.09 0.10 -0.04 2.03 2.13 2o1pA1 PRO 97 HG3 -0.03 0.09 0.00 -0.04 2.03 2.05 2o1pA1 PRO 97 HD2 -0.10 0.36 0.03 -0.04 3.68 3.92 2o1pA1 PRO 97 HD3 -0.04 -0.00 -0.34 -0.04 3.65 3.22 2o1pA1 GLY 98 H 0.02 0.08 0.20 -0.55 8.43 8.19 2o1pA1 GLY 98 HA2 0.01 -0.02 0.36 -0.51 4.01 3.85 2o1pA1 GLY 98 HA3 -0.00 0.11 0.37 -0.51 4.01 3.98 2o1pA1 SER 99 H 0.03 0.48 -0.44 -0.55 8.46 7.98 2o1pA1 SER 99 HA 0.01 0.03 0.52 -0.75 4.49 4.29 2o1pA1 SER 99 HB2 0.05 -0.03 0.10 -0.04 3.95 4.03 2o1pA1 SER 99 HB3 0.01 0.03 0.10 -0.04 3.93 4.03 2o1pA1 ASP 100 H 0.01 0.05 0.18 -0.55 8.40 8.09 2o1pA1 ASP 100 HA -0.01 0.25 0.64 -0.75 4.63 4.75 2o1pA1 ASP 100 HB2 -0.01 -0.13 -0.09 -0.04 2.71 2.44 2o1pA1 ASP 100 HB3 -0.02 0.03 -0.17 -0.04 2.70 2.51 2o1pA1 ILE 101 H -0.08 0.69 0.35 -0.55 8.25 8.66 2o1pA1 ILE 101 HA -0.08 0.03 0.91 -0.75 4.18 4.28 2o1pA1 ILE 101 HB -0.19 0.00 0.17 -0.04 1.89 1.83 2o1pA1 ILE 101 HG12 -0.65 -0.03 -0.03 -0.04 1.49 0.74 2o1pA1 ILE 101 HG13 -0.22 0.09 -0.01 -0.04 1.21 1.03 2o1pA1 ILE 101 HG23 -0.29 -0.01 -0.19 -0.04 0.93 0.40 2o1pA1 ILE 101 HD13 -0.53 -0.01 -0.06 -0.04 0.88 0.25 2o1pA1 ASP 102 H -0.14 0.11 0.08 -0.55 8.40 7.91 2o1pA1 ASP 102 HA -0.16 0.15 0.78 -0.75 4.63 4.65 2o1pA1 ASP 102 HB2 -0.71 -0.04 -0.03 -0.04 2.71 1.89 2o1pA1 ASP 102 HB3 -1.15 0.04 -0.04 -0.04 2.70 1.51 2o1pA1 THR 103 H 0.02 0.68 0.39 -0.55 8.28 8.83 2o1pA1 THR 103 HA 0.14 0.21 1.09 -0.75 4.39 5.08 2o1pA1 THR 103 HB 0.05 0.01 0.01 -0.04 4.32 4.34 2o1pA1 THR 103 HG23 0.04 0.01 -0.17 -0.04 1.22 1.06 2o1pA1 LEU 104 H 0.23 0.87 0.40 -0.55 8.37 9.32 2o1pA1 LEU 104 HA 0.07 0.17 0.95 -0.75 4.35 4.80 2o1pA1 LEU 104 HB2 0.02 -0.01 -0.08 -0.04 1.64 1.53 2o1pA1 LEU 104 HB3 0.18 -0.05 0.10 -0.04 1.64 1.83 2o1pA1 LEU 104 HG 0.06 -0.02 -0.45 -0.04 1.64 1.19 2o1pA1 LEU 104 HD13 -0.10 0.04 -0.20 -0.04 0.93 0.63 2o1pA1 LEU 104 HD23 -0.23 0.00 -0.09 -0.04 0.89 0.53 2o1pA1 VAL 105 H -0.08 0.81 0.42 -0.55 8.24 8.84 2o1pA1 VAL 105 HA -0.01 0.18 0.98 -0.75 4.13 4.53 2o1pA1 VAL 105 HB -0.30 -0.07 0.15 -0.04 2.12 1.85 2o1pA1 VAL 105 HG13 -0.18 0.01 -0.10 -0.04 0.97 0.66 2o1pA1 VAL 105 HG23 -0.12 0.04 -0.07 -0.04 0.95 0.76 2o1pA1 VAL 106 H 0.06 0.70 0.37 -0.55 8.24 8.83 2o1pA1 VAL 106 HA -0.05 0.20 0.89 -0.75 4.13 4.41 2o1pA1 VAL 106 HB 0.22 0.08 0.17 -0.04 2.12 2.55 2o1pA1 VAL 106 HG13 0.02 -0.01 -0.17 -0.04 0.97 0.77 2o1pA1 VAL 106 HG23 0.05 -0.02 -0.15 -0.04 0.95 0.79 2o1pA1 VAL 107 H -0.08 0.61 0.44 -0.55 8.24 8.66 2o1pA1 VAL 107 HA -0.11 0.20 1.04 -0.75 4.13 4.50 2o1pA1 VAL 107 HB -0.25 0.06 0.03 -0.04 2.12 1.91 2o1pA1 VAL 107 HG13 -0.12 -0.03 -0.28 -0.04 0.97 0.50 2o1pA1 VAL 107 HG23 -0.12 0.03 -0.07 -0.04 0.95 0.75 2o1pA1 PRO 108 HA -0.08 0.13 0.50 -0.51 4.44 4.49 2o1pA1 PRO 108 HB2 -0.20 -0.10 -0.04 -0.04 2.28 1.90 2o1pA1 PRO 108 HB3 -0.03 0.07 -0.17 -0.04 2.02 1.84 2o1pA1 PRO 108 HG2 -0.49 -0.07 -0.03 -0.04 2.03 1.41 2o1pA1 PRO 108 HG3 -0.11 0.16 0.00 -0.04 2.03 2.04 2o1pA1 PRO 108 HD2 -0.21 0.07 0.22 -0.04 3.68 3.72 2o1pA1 PRO 108 HD3 -0.09 0.15 0.13 -0.04 3.65 3.80 2o1pA1 LYS 109 H -0.03 0.50 0.24 -0.55 8.42 8.58 2o1pA1 LYS 109 HA -0.06 0.12 0.15 -0.75 4.32 3.77 2o1pA1 LYS 109 HB2 0.00 -0.06 0.01 -0.04 1.87 1.78 2o1pA1 LYS 109 HB3 -0.01 0.04 0.21 -0.04 1.79 1.99 2o1pA1 LYS 109 HG2 0.02 -0.08 -0.31 -0.04 1.46 1.06 2o1pA1 LYS 109 HG3 0.08 -0.05 -0.04 -0.04 1.46 1.41 2o1pA1 LYS 109 HD2 0.04 -0.02 -0.12 -0.04 1.69 1.55 2o1pA1 LYS 109 HD3 0.04 -0.00 -0.18 -0.04 1.68 1.50 2o1pA1 LYS 109 HE2 0.01 0.01 -0.08 -0.04 2.99 2.88 2o1pA1 LYS 109 HE3 0.01 0.02 -0.15 -0.04 2.99 2.82 2o1pA1 HIS 110 H -0.10 0.13 -0.26 -0.55 8.41 7.63 2o1pA1 HIS 110 HA -0.02 0.09 0.46 -0.75 4.63 4.40 2o1pA1 HIS 110 HB2 -0.03 0.00 0.16 -0.04 3.26 3.34 2o1pA1 HIS 110 HB3 -0.03 -0.03 0.05 -0.04 3.20 3.15 2o1pA1 HIS 110 HD2 -0.07 -0.03 -0.21 -0.04 6.97 6.61 2o1pA1 HIS 110 HE1 -0.05 0.17 0.05 -0.04 7.75 7.87 2o1pA1 VAL 111 H -0.21 0.43 -0.70 -0.55 8.24 7.22 2o1pA1 VAL 111 HA -0.11 0.06 0.83 -0.75 4.13 4.15 2o1pA1 VAL 111 HB -0.29 0.17 0.03 -0.04 2.12 1.99 2o1pA1 VAL 111 HG13 -0.36 -0.02 -0.18 -0.04 0.97 0.38 2o1pA1 VAL 111 HG23 -0.59 -0.02 -0.23 -0.04 0.95 0.06 2o1pA1 THR 112 H 0.03 0.09 0.08 -0.55 8.28 7.93 2o1pA1 THR 112 HA 0.02 0.25 0.37 -0.75 4.39 4.27 2o1pA1 THR 112 HB 0.07 -0.10 0.18 -0.04 4.32 4.42 2o1pA1 THR 112 HG23 0.03 0.07 -0.03 -0.04 1.22 1.25 2o1pA1 ARG 113 H 0.08 0.19 0.16 -0.55 8.46 8.35 2o1pA1 ARG 113 HA 0.16 0.14 0.59 -0.75 4.34 4.49 2o1pA1 ARG 113 HB2 0.14 -0.01 0.17 -0.04 1.90 2.15 2o1pA1 ARG 113 HB3 0.33 0.06 -0.01 -0.04 1.80 2.14 2o1pA1 ARG 113 HG2 0.10 0.02 0.06 -0.04 1.67 1.81 2o1pA1 ARG 113 HG3 0.03 0.02 0.03 -0.04 1.67 1.71 2o1pA1 ARG 113 HD2 0.20 0.04 0.05 -0.04 3.22 3.47 2o1pA1 ARG 113 HD3 0.08 0.08 0.07 -0.04 3.22 3.41 2o1pA1 GLU 114 H 0.16 0.11 -0.04 -0.55 8.60 8.28 2o1pA1 GLU 114 HA 0.23 0.11 0.41 -0.75 4.29 4.29 2o1pA1 GLU 114 HB2 0.11 -0.03 0.03 -0.04 2.09 2.15 2o1pA1 GLU 114 HB3 0.11 0.07 -0.02 -0.04 1.99 2.10 2o1pA1 GLU 114 HG2 0.07 0.06 0.01 -0.04 2.34 2.45 2o1pA1 GLU 114 HG3 0.10 0.04 0.03 -0.04 2.34 2.47 2o1pA1 ASP 115 H 0.17 0.06 -0.49 -0.55 8.40 7.59 2o1pA1 ASP 115 HA 0.21 0.01 0.43 -0.75 4.63 4.52 2o1pA1 ASP 115 HB2 0.25 0.38 0.03 -0.04 2.71 3.32 2o1pA1 ASP 115 HB3 0.41 0.03 -0.06 -0.04 2.70 3.04 2o1pA1 PHE 116 H 0.37 0.40 -0.14 -0.55 8.34 8.41 2o1pA1 PHE 116 HA -0.56 -0.03 0.45 -0.75 4.62 3.73 2o1pA1 PHE 116 HB2 -0.02 0.06 0.05 -0.04 3.15 3.20 2o1pA1 PHE 116 HB3 -0.23 0.15 0.17 -0.04 3.06 3.10 2o1pA1 PHE 116 HD2 -0.95 -0.01 -0.09 -0.04 7.28 6.20 2o1pA1 PHE 116 HE2 -0.45 0.02 -0.21 -0.04 7.38 6.71 2o1pA1 PHE 116 HZ -0.12 0.09 -0.31 -0.04 7.32 6.93 2o1pA1 PHE 117 H 0.14 0.60 -0.14 -0.55 8.34 8.39 2o1pA1 PHE 117 HA -0.23 0.07 0.45 -0.75 4.62 4.16 2o1pA1 PHE 117 HB2 0.04 0.02 0.05 -0.04 3.15 3.22 2o1pA1 PHE 117 HB3 -0.02 -0.02 0.11 -0.04 3.06 3.08 2o1pA1 PHE 117 HD2 0.02 0.02 -0.07 -0.04 7.28 7.21 2o1pA1 PHE 117 HE2 0.11 0.08 -0.10 -0.04 7.38 7.43 2o1pA1 PHE 117 HZ 0.20 -0.05 -0.25 -0.04 7.32 7.18 2o1pA1 THR 118 H 0.08 0.20 -0.58 -0.55 8.28 7.43 2o1pA1 THR 118 HA 0.04 0.20 0.95 -0.75 4.39 4.83 2o1pA1 THR 118 HB 0.06 -0.02 0.01 -0.04 4.32 4.33 2o1pA1 THR 118 HG23 0.09 0.01 -0.12 -0.04 1.22 1.16 2o1pA1 VAL 119 H 0.13 0.28 0.23 -0.55 8.24 8.32 2o1pA1 VAL 119 HA 0.08 0.05 0.41 -0.75 4.13 3.92 2o1pA1 VAL 119 HB 0.39 0.08 0.16 -0.04 2.12 2.71 2o1pA1 VAL 119 HG13 0.30 0.00 -0.08 -0.04 0.97 1.15 2o1pA1 VAL 119 HG23 0.14 -0.01 0.05 -0.04 0.95 1.09 2o1pA1 PHE 120 H -0.15 0.37 0.04 -0.55 8.34 8.05 2o1pA1 PHE 120 HA -0.26 0.05 0.47 -0.75 4.62 4.13 2o1pA1 PHE 120 HB2 -2.05 -0.03 0.06 -0.04 3.15 1.08 2o1pA1 PHE 120 HB3 -0.84 0.27 0.16 -0.04 3.06 2.61 2o1pA1 PHE 120 HD2 -0.44 0.03 -0.12 -0.04 7.28 6.70 2o1pA1 PHE 120 HE2 -0.02 -0.03 -0.21 -0.04 7.38 7.08 2o1pA1 PHE 120 HZ -0.05 0.01 -0.09 -0.04 7.32 7.15 2o1pA1 ASP 121 H -0.23 0.32 -0.28 -0.55 8.40 7.67 2o1pA1 ASP 121 HA -0.31 0.00 0.41 -0.75 4.63 3.99 2o1pA1 ASP 121 HB2 -0.18 -0.01 -0.00 -0.04 2.71 2.48 2o1pA1 ASP 121 HB3 -0.09 0.11 -0.24 -0.04 2.70 2.43 2o1pA1 SER 122 H -0.08 0.60 -0.25 -0.55 8.46 8.19 2o1pA1 SER 122 HA -0.05 0.01 0.50 -0.75 4.49 4.19 2o1pA1 SER 122 HB2 -0.01 0.15 0.16 -0.04 3.95 4.21 2o1pA1 SER 122 HB3 -0.01 -0.05 -0.07 -0.04 3.93 3.76 2o1pA1 LEU 123 H -0.15 0.36 -0.33 -0.55 8.37 7.70 2o1pA1 LEU 123 HA -0.04 0.02 0.34 -0.75 4.35 3.91 2o1pA1 LEU 123 HB2 -0.21 0.11 0.16 -0.04 1.64 1.66 2o1pA1 LEU 123 HB3 -0.06 -0.06 -0.00 -0.04 1.64 1.47 2o1pA1 LEU 123 HG 0.06 0.23 0.04 -0.04 1.64 1.93 2o1pA1 LEU 123 HD13 0.22 -0.03 -0.07 -0.04 0.93 1.01 2o1pA1 LEU 123 HD23 0.05 -0.02 -0.04 -0.04 0.89 0.84 2o1pA1 LEU 124 H -0.35 0.49 -0.19 -0.55 8.37 7.78 2o1pA1 LEU 124 HA -0.14 -0.01 0.48 -0.75 4.35 3.93 2o1pA1 LEU 124 HB2 -0.28 0.18 0.15 -0.04 1.64 1.64 2o1pA1 LEU 124 HB3 -0.15 -0.05 -0.05 -0.04 1.64 1.35 2o1pA1 LEU 124 HG -0.96 0.11 -0.01 -0.04 1.64 0.74 2o1pA1 LEU 124 HD13 -0.42 -0.03 -0.11 -0.04 0.93 0.33 2o1pA1 LEU 124 HD23 -0.28 -0.02 -0.05 -0.04 0.89 0.50 2o1pA1 ARG 125 H -0.10 0.40 -0.19 -0.55 8.46 8.01 2o1pA1 ARG 125 HA -0.03 0.05 0.27 -0.75 4.34 3.87 2o1pA1 ARG 125 HB2 -0.04 0.04 0.07 -0.04 1.90 1.93 2o1pA1 ARG 125 HB3 -0.03 -0.03 0.05 -0.04 1.80 1.75 2o1pA1 ARG 125 HG2 -0.04 -0.06 -0.01 -0.04 1.67 1.51 2o1pA1 ARG 125 HG3 -0.08 0.34 0.14 -0.04 1.67 2.03 2o1pA1 ARG 125 HD2 -0.05 -0.01 -0.14 -0.04 3.22 2.98 2o1pA1 ARG 125 HD3 -0.03 -0.03 -0.02 -0.04 3.22 3.10 2o1pA1 GLU 126 H -0.04 0.39 -0.29 -0.55 8.60 8.12 2o1pA1 GLU 126 HA -0.02 0.01 0.36 -0.75 4.29 3.89 2o1pA1 GLU 126 HB2 -0.02 0.15 0.09 -0.04 2.09 2.27 2o1pA1 GLU 126 HB3 -0.00 -0.08 0.03 -0.04 1.99 1.90 2o1pA1 GLU 126 HG2 -0.00 -0.07 0.04 -0.04 2.34 2.27 2o1pA1 GLU 126 HG3 -0.01 -0.01 0.01 -0.04 2.34 2.30 2o1pA1 ARG 127 H -0.01 0.46 -0.62 -0.55 8.46 7.73 2o1pA1 ARG 127 HA -0.00 0.03 0.73 -0.75 4.34 4.34 2o1pA1 ARG 127 HB2 0.10 0.19 0.16 -0.04 1.90 2.31 2o1pA1 ARG 127 HB3 0.04 -0.26 0.05 -0.04 1.80 1.59 2o1pA1 ARG 127 HG2 0.04 0.30 0.05 -0.04 1.67 2.02 2o1pA1 ARG 127 HG3 0.21 -0.07 0.02 -0.04 1.67 1.78 2o1pA1 ARG 127 HD2 0.04 0.03 -0.08 -0.04 3.22 3.17 2o1pA1 ARG 127 HD3 0.06 0.01 -0.04 -0.04 3.22 3.20 2o1pA1 LYS 128 H -0.04 0.14 0.20 -0.55 8.42 8.17 2o1pA1 LYS 128 HA -0.06 0.16 0.45 -0.75 4.32 4.12 2o1pA1 LYS 128 HB2 -0.07 -0.06 0.08 -0.04 1.87 1.79 2o1pA1 LYS 128 HB3 -0.06 0.01 0.08 -0.04 1.79 1.78 2o1pA1 LYS 128 HG2 -0.03 0.05 0.06 -0.04 1.46 1.49 2o1pA1 LYS 128 HG3 -0.03 0.03 0.13 -0.04 1.46 1.55 2o1pA1 LYS 128 HD2 -0.03 -0.03 0.04 -0.04 1.69 1.63 2o1pA1 LYS 128 HD3 -0.03 -0.01 0.03 -0.04 1.68 1.63 2o1pA1 LYS 128 HE2 -0.02 0.04 0.03 -0.04 2.99 3.00 2o1pA1 LYS 128 HE3 -0.01 -0.00 0.04 -0.04 2.99 2.97 2o1pA1 GLU 129 H -0.21 0.02 -0.30 -0.55 8.60 7.56 2o1pA1 GLU 129 HA -0.30 0.13 0.42 -0.75 4.29 3.79 2o1pA1 GLU 129 HB2 -1.30 0.05 -0.02 -0.04 2.09 0.79 2o1pA1 GLU 129 HB3 -0.83 -0.12 0.12 -0.04 1.99 1.12 2o1pA1 GLU 129 HG2 -0.20 0.02 0.01 -0.04 2.34 2.12 2o1pA1 GLU 129 HG3 -0.19 0.01 -0.06 -0.04 2.34 2.06 2o1pA1 LEU 130 H -0.20 0.41 -0.41 -0.55 8.37 7.61 2o1pA1 LEU 130 HA -0.09 -0.05 0.61 -0.75 4.35 4.06 2o1pA1 LEU 130 HB2 0.03 0.04 0.10 -0.04 1.64 1.77 2o1pA1 LEU 130 HB3 -0.03 0.13 0.12 -0.04 1.64 1.83 2o1pA1 LEU 130 HG 0.03 0.00 -0.28 -0.04 1.64 1.35 2o1pA1 LEU 130 HD13 -0.01 -0.02 -0.37 -0.04 0.93 0.49 2o1pA1 LEU 130 HD23 0.17 -0.00 -0.05 -0.04 0.89 0.97 2o1pA1 ASP 131 H -0.05 0.33 0.49 -0.55 8.40 8.62 2o1pA1 ASP 131 HA -0.05 0.14 0.65 -0.75 4.63 4.61 2o1pA1 ASP 131 HB2 -0.01 -0.04 0.00 -0.04 2.71 2.62 2o1pA1 ASP 131 HB3 -0.03 -0.02 0.02 -0.04 2.70 2.64 2o1pA1 GLU 132 H 0.02 0.40 0.32 -0.55 8.60 8.79 2o1pA1 GLU 132 HA -0.00 0.17 0.34 -0.75 4.29 4.04 2o1pA1 GLU 132 HB2 0.01 0.01 0.03 -0.04 2.09 2.10 2o1pA1 GLU 132 HB3 0.00 0.14 0.16 -0.04 1.99 2.25 2o1pA1 GLU 132 HG2 0.01 -0.10 -0.17 -0.04 2.34 2.04 2o1pA1 GLU 132 HG3 0.02 -0.05 -0.10 -0.04 2.34 2.17 2o1pA1 ILE 133 H 0.00 0.28 0.14 -0.55 8.25 8.13 2o1pA1 ILE 133 HA 0.01 0.20 0.81 -0.75 4.18 4.45 2o1pA1 ILE 133 HB -0.01 0.04 -0.19 -0.04 1.89 1.69 2o1pA1 ILE 133 HG12 -0.02 -0.02 -0.19 -0.04 1.49 1.22 2o1pA1 ILE 133 HG13 -0.02 -0.02 -0.12 -0.04 1.21 1.01 2o1pA1 ILE 133 HG23 -0.01 0.00 -0.00 -0.04 0.93 0.87 2o1pA1 ILE 133 HD13 -0.09 -0.00 -0.07 -0.04 0.88 0.68 2o1pA1 ALA 134 H 0.03 0.63 0.16 -0.55 8.40 8.68 2o1pA1 ALA 134 HA 0.02 0.20 0.86 -0.75 4.34 4.67 2o1pA1 ALA 134 HB3 0.03 -0.00 0.06 -0.04 1.41 1.46 2o1pA1 PRO 135 HA 0.17 0.09 0.76 -0.51 4.44 4.95 2o1pA1 PRO 135 HB2 0.03 -0.01 0.06 -0.04 2.28 2.31 2o1pA1 PRO 135 HB3 0.21 0.04 0.12 -0.04 2.02 2.36 2o1pA1 PRO 135 HG2 0.03 0.06 0.07 -0.04 2.03 2.15 2o1pA1 PRO 135 HG3 0.04 0.04 0.01 -0.04 2.03 2.07 2o1pA1 PRO 135 HD2 0.02 0.10 0.21 -0.04 3.68 3.97 2o1pA1 PRO 135 HD3 0.02 0.23 -0.12 -0.04 3.65 3.74 2o1pA1 VAL 136 H 0.21 0.71 0.28 -0.55 8.24 8.89 2o1pA1 VAL 136 HA -0.02 0.14 0.71 -0.75 4.13 4.21 2o1pA1 VAL 136 HB 0.10 -0.00 0.22 -0.04 2.12 2.40 2o1pA1 VAL 136 HG13 0.04 -0.03 -0.00 -0.04 0.97 0.93 2o1pA1 VAL 136 HG23 0.05 0.05 -0.20 -0.04 0.95 0.81 2o1pA1 PRO 137 HA -1.12 0.10 0.41 -0.51 4.44 3.32 2o1pA1 PRO 137 HB2 -0.49 0.03 -0.03 -0.04 2.28 1.75 2o1pA1 PRO 137 HB3 -1.20 0.04 0.06 -0.04 2.02 0.88 2o1pA1 PRO 137 HG2 -0.20 0.01 -0.01 -0.04 2.03 1.79 2o1pA1 PRO 137 HG3 -0.23 0.08 0.01 -0.04 2.03 1.84 2o1pA1 PRO 137 HD2 -0.12 0.15 0.03 -0.04 3.68 3.70 2o1pA1 PRO 137 HD3 -0.21 0.13 -0.20 -0.04 3.65 3.34 2o1pA1 ASP 138 H -0.12 0.10 -0.28 -0.55 8.40 7.55 2o1pA1 ASP 138 HA -0.05 0.15 0.52 -0.75 4.63 4.50 2o1pA1 ASP 138 HB2 -0.00 0.01 0.08 -0.04 2.71 2.76 2o1pA1 ASP 138 HB3 -0.04 -0.01 0.02 -0.04 2.70 2.63 2o1pA1 ALA 139 H -0.00 0.25 -0.66 -0.55 8.40 7.44 2o1pA1 ALA 139 HA 0.08 -0.04 0.05 -0.75 4.34 3.67 2o1pA1 ALA 139 HB3 0.10 -0.03 -0.09 -0.04 1.41 1.35 2o1pA1 PHE 140 H 0.21 0.09 0.09 -0.55 8.34 8.18 2o1pA1 PHE 140 HA 0.02 0.07 0.48 -0.75 4.62 4.43 2o1pA1 PHE 140 HB2 0.01 0.04 0.14 -0.04 3.15 3.31 2o1pA1 PHE 140 HB3 0.01 -0.10 0.16 -0.04 3.06 3.09 2o1pA1 PHE 140 HD2 0.01 -0.02 -0.00 -0.04 7.28 7.22 2o1pA1 PHE 140 HE2 -0.01 -0.01 -0.03 -0.04 7.38 7.29 2o1pA1 PHE 140 HZ -0.02 -0.00 -0.03 -0.04 7.32 7.23 2o1pA1 VAL 141 H 0.25 0.06 -0.10 -0.55 8.24 7.90 2o1pA1 VAL 141 HA -0.13 0.19 0.75 -0.75 4.13 4.19 2o1pA1 VAL 141 HB 0.15 -0.05 0.11 -0.04 2.12 2.29 2o1pA1 VAL 141 HG13 0.06 0.00 -0.15 -0.04 0.97 0.84 2o1pA1 VAL 141 HG23 0.12 -0.01 -0.06 -0.04 0.95 0.97 2o1pA1 PRO 142 HA 0.22 0.05 0.41 -0.51 4.44 4.60 2o1pA1 PRO 142 HB2 0.16 -0.06 0.18 -0.04 2.28 2.52 2o1pA1 PRO 142 HB3 0.38 0.01 0.08 -0.04 2.02 2.45 2o1pA1 PRO 142 HG2 0.05 -0.09 0.12 -0.04 2.03 2.06 2o1pA1 PRO 142 HG3 0.06 0.27 0.04 -0.04 2.03 2.36 2o1pA1 PRO 142 HD2 -0.03 -0.00 0.22 -0.04 3.68 3.83 2o1pA1 PRO 142 HD3 -0.09 0.55 0.28 -0.04 3.65 4.35 2o1pA1 ILE 143 H 0.36 0.29 0.29 -0.55 8.25 8.63 2o1pA1 ILE 143 HA 0.28 0.30 0.98 -0.75 4.18 4.99 2o1pA1 ILE 143 HB 0.16 0.10 -0.26 -0.04 1.89 1.84 2o1pA1 ILE 143 HG12 0.13 -0.07 -0.25 -0.04 1.49 1.26 2o1pA1 ILE 143 HG13 0.16 0.21 -0.23 -0.04 1.21 1.31 2o1pA1 ILE 143 HG23 0.14 -0.02 -0.00 -0.04 0.93 1.01 2o1pA1 ILE 143 HD13 0.11 -0.03 -0.16 -0.04 0.88 0.76 2o1pA1 ILE 144 H 0.22 0.80 0.33 -0.55 8.25 9.05 2o1pA1 ILE 144 HA 0.14 0.10 0.66 -0.75 4.18 4.33 2o1pA1 ILE 144 HB -0.01 0.01 0.14 -0.04 1.89 1.98 2o1pA1 ILE 144 HG12 0.09 -0.03 0.05 -0.04 1.49 1.55 2o1pA1 ILE 144 HG13 -0.21 -0.03 -0.36 -0.04 1.21 0.57 2o1pA1 ILE 144 HG23 -0.04 -0.01 -0.27 -0.04 0.93 0.57 2o1pA1 ILE 144 HD13 -0.78 -0.00 -0.14 -0.04 0.88 -0.08 2o1pA1 LYS 145 H 0.07 0.67 0.15 -0.55 8.42 8.75 2o1pA1 LYS 145 HA 0.05 0.18 1.02 -0.75 4.32 4.82 2o1pA1 LYS 145 HB2 0.05 0.06 0.21 -0.04 1.87 2.15 2o1pA1 LYS 145 HB3 0.04 0.03 0.00 -0.04 1.79 1.82 2o1pA1 LYS 145 HG2 0.05 -0.00 -0.00 -0.04 1.46 1.47 2o1pA1 LYS 145 HG3 0.08 -0.06 -0.11 -0.04 1.46 1.32 2o1pA1 LYS 145 HD2 0.06 0.00 -0.03 -0.04 1.69 1.67 2o1pA1 LYS 145 HD3 0.04 0.01 -0.02 -0.04 1.68 1.67 2o1pA1 LYS 145 HE2 0.04 0.01 -0.04 -0.04 2.99 2.96 2o1pA1 LYS 145 HE3 0.04 0.00 -0.05 -0.04 2.99 2.94 2o1pA1 ILE 146 H 0.03 0.75 0.44 -0.55 8.25 8.93 2o1pA1 ILE 146 HA 0.03 0.23 1.12 -0.75 4.18 4.81 2o1pA1 ILE 146 HB 0.06 0.14 0.14 -0.04 1.89 2.20 2o1pA1 ILE 146 HG12 0.01 0.03 0.05 -0.04 1.49 1.53 2o1pA1 ILE 146 HG13 0.05 -0.06 -0.28 -0.04 1.21 0.88 2o1pA1 ILE 146 HG23 -0.01 -0.03 -0.20 -0.04 0.93 0.65 2o1pA1 ILE 146 HD13 -0.04 -0.01 -0.12 -0.04 0.88 0.67 2o1pA1 LYS 147 H 0.05 0.55 0.32 -0.55 8.42 8.78 2o1pA1 LYS 147 HA 0.06 0.26 0.67 -0.75 4.32 4.55 2o1pA1 LYS 147 HB2 0.02 0.03 -0.05 -0.04 1.87 1.83 2o1pA1 LYS 147 HB3 0.02 -0.11 0.09 -0.04 1.79 1.75 2o1pA1 LYS 147 HG2 0.01 -0.14 -0.26 -0.04 1.46 1.03 2o1pA1 LYS 147 HG3 0.03 0.09 -0.35 -0.04 1.46 1.18 2o1pA1 LYS 147 HD2 0.01 0.09 -0.06 -0.04 1.69 1.68 2o1pA1 LYS 147 HD3 0.01 -0.01 -0.08 -0.04 1.68 1.56 2o1pA1 LYS 147 HE2 0.00 -0.05 -0.11 -0.04 2.99 2.79 2o1pA1 LYS 147 HE3 -0.00 -0.01 -0.06 -0.04 2.99 2.88 2o1pA1 PHE 148 H 0.13 0.69 0.08 -0.55 8.34 8.69 2o1pA1 PHE 148 HA -0.03 0.18 0.94 -0.75 4.62 4.96 2o1pA1 PHE 148 HB2 -0.03 0.00 -0.32 -0.04 3.15 2.76 2o1pA1 PHE 148 HB3 -0.03 0.05 0.01 -0.04 3.06 3.05 2o1pA1 PHE 148 HD2 -0.04 0.01 -0.22 -0.04 7.28 6.99 2o1pA1 PHE 148 HE2 -0.04 0.03 -0.06 -0.04 7.38 7.27 2o1pA1 PHE 148 HZ -0.03 -0.01 -0.06 -0.04 7.32 7.19 2o1pA1 SER 149 H -0.41 0.67 0.30 -0.55 8.46 8.47 2o1pA1 SER 149 HA -0.15 0.09 0.37 -0.75 4.49 4.05 2o1pA1 SER 149 HB2 0.08 0.13 0.19 -0.04 3.95 4.31 2o1pA1 SER 149 HB3 -0.01 -0.02 0.30 -0.04 3.93 4.17 2o1pA1 GLY 150 H -0.03 0.09 -0.37 -0.55 8.43 7.58 2o1pA1 GLY 150 HA2 -0.00 0.01 0.24 -0.51 4.01 3.75 2o1pA1 GLY 150 HA3 0.00 0.15 0.56 -0.51 4.01 4.21 2o1pA1 ILE 151 H 0.06 0.44 -0.60 -0.55 8.25 7.59 2o1pA1 ILE 151 HA 0.02 0.07 0.59 -0.75 4.18 4.11 2o1pA1 ILE 151 HB 0.07 0.12 0.09 -0.04 1.89 2.13 2o1pA1 ILE 151 HG12 0.03 -0.03 -0.06 -0.04 1.49 1.39 2o1pA1 ILE 151 HG13 0.04 0.06 -0.10 -0.04 1.21 1.17 2o1pA1 ILE 151 HG23 -0.03 -0.00 -0.11 -0.04 0.93 0.75 2o1pA1 ILE 151 HD13 0.04 -0.03 -0.16 -0.04 0.88 0.68 2o1pA1 SER 152 H 0.01 0.19 0.16 -0.55 8.46 8.28 2o1pA1 SER 152 HA 0.02 0.19 0.91 -0.75 4.49 4.86 2o1pA1 SER 152 HB2 0.01 0.06 0.09 -0.04 3.95 4.07 2o1pA1 SER 152 HB3 0.01 -0.04 -0.02 -0.04 3.93 3.83 2o1pA1 ILE 153 H 0.01 0.76 0.40 -0.55 8.25 8.87 2o1pA1 ILE 153 HA -0.04 0.18 1.02 -0.75 4.18 4.58 2o1pA1 ILE 153 HB -0.03 -0.05 0.03 -0.04 1.89 1.81 2o1pA1 ILE 153 HG12 -0.02 0.04 -0.37 -0.04 1.49 1.10 2o1pA1 ILE 153 HG13 -0.11 -0.01 -0.13 -0.04 1.21 0.91 2o1pA1 ILE 153 HG23 -0.04 0.01 -0.13 -0.04 0.93 0.72 2o1pA1 ILE 153 HD13 -0.11 0.02 -0.14 -0.04 0.88 0.60 2o1pA1 ASP 154 H -0.01 0.55 0.24 -0.55 8.40 8.62 2o1pA1 ASP 154 HA 0.05 0.16 0.94 -0.75 4.63 5.03 2o1pA1 ASP 154 HB2 -0.00 -0.08 0.18 -0.04 2.71 2.77 2o1pA1 ASP 154 HB3 0.06 0.02 0.01 -0.04 2.70 2.75 2o1pA1 LEU 155 H 0.10 0.62 0.25 -0.55 8.37 8.81 2o1pA1 LEU 155 HA 0.12 0.27 0.94 -0.75 4.35 4.92 2o1pA1 LEU 155 HB2 0.20 0.08 0.24 -0.04 1.64 2.12 2o1pA1 LEU 155 HB3 0.37 0.01 -0.08 -0.04 1.64 1.90 2o1pA1 LEU 155 HG 0.41 -0.02 -0.07 -0.04 1.64 1.93 2o1pA1 LEU 155 HD13 0.10 0.00 -0.13 -0.04 0.93 0.86 2o1pA1 LEU 155 HD23 0.05 -0.02 -0.12 -0.04 0.89 0.77 2o1pA1 ILE 156 H 0.10 0.57 0.41 -0.55 8.25 8.77 2o1pA1 ILE 156 HA 0.04 0.25 0.91 -0.75 4.18 4.63 2o1pA1 ILE 156 HB -0.04 0.02 0.12 -0.04 1.89 1.95 2o1pA1 ILE 156 HG12 0.15 0.08 0.05 -0.04 1.49 1.73 2o1pA1 ILE 156 HG13 -0.01 -0.09 -0.13 -0.04 1.21 0.93 2o1pA1 ILE 156 HG23 0.11 0.02 -0.21 -0.04 0.93 0.81 2o1pA1 ILE 156 HD13 -0.02 -0.01 -0.05 -0.04 0.88 0.76 2o1pA1 CYS 157 H -0.34 0.33 0.20 -0.55 8.50 8.14 2o1pA1 CYS 157 HA -0.42 0.34 1.11 -0.75 4.58 4.85 2o1pA1 CYS 157 HB2 -2.32 -0.05 -0.15 -0.04 2.97 0.41 2o1pA1 CYS 157 HB3 -0.86 -0.06 0.08 -0.04 2.97 2.09 2o1pA1 ALA 158 H -0.17 0.65 0.31 -0.55 8.40 8.64 2o1pA1 ALA 158 HA -0.13 0.10 0.92 -0.75 4.34 4.48 2o1pA1 ALA 158 HB3 -0.12 0.00 -0.06 -0.04 1.41 1.19 2o1pA1 ARG 159 H -0.09 0.10 0.11 -0.55 8.46 8.04 2o1pA1 ARG 159 HA -0.09 0.30 0.92 -0.75 4.34 4.70 2o1pA1 ARG 159 HB2 -0.08 -0.01 -0.08 -0.04 1.90 1.70 2o1pA1 ARG 159 HB3 -0.06 -0.15 0.14 -0.04 1.80 1.69 2o1pA1 ARG 159 HG2 -0.05 -0.07 -0.25 -0.04 1.67 1.25 2o1pA1 ARG 159 HG3 -0.08 0.24 -0.18 -0.04 1.67 1.60 2o1pA1 ARG 159 HD2 -0.05 0.13 -0.13 -0.04 3.22 3.13 2o1pA1 ARG 159 HD3 -0.04 0.07 -0.01 -0.04 3.22 3.19 2o1pA1 LEU 160 H -0.07 0.67 0.26 -0.55 8.37 8.68 2o1pA1 LEU 160 HA -0.05 0.13 0.70 -0.75 4.35 4.38 2o1pA1 LEU 160 HB2 -0.04 0.04 0.01 -0.04 1.64 1.61 2o1pA1 LEU 160 HB3 -0.03 0.00 -0.05 -0.04 1.64 1.52 2o1pA1 LEU 160 HG -0.06 -0.05 -0.15 -0.04 1.64 1.34 2o1pA1 LEU 160 HD13 -0.02 -0.00 -0.11 -0.04 0.93 0.75 2o1pA1 LEU 160 HD23 -0.05 0.01 -0.07 -0.04 0.89 0.74 2o1pA1 ASP 161 H -0.03 0.26 0.08 -0.55 8.40 8.16 2o1pA1 ASP 161 HA -0.02 0.08 0.58 -0.75 4.63 4.52 2o1pA1 ASP 161 HB2 -0.02 0.04 0.06 -0.04 2.71 2.75 2o1pA1 ASP 161 HB3 -0.01 0.09 0.17 -0.04 2.70 2.90 2o1pA1 GLN 162 H -0.02 0.55 -0.27 -0.55 8.47 8.18 2o1pA1 GLN 162 HA 0.00 0.15 0.56 -0.75 4.36 4.32 2o1pA1 GLN 162 HB2 0.00 -0.03 0.12 -0.04 2.15 2.19 2o1pA1 GLN 162 HB3 -0.01 0.11 -0.11 -0.04 2.02 1.97 2o1pA1 GLN 162 HG2 -0.02 -0.13 -0.24 -0.04 2.40 1.97 2o1pA1 GLN 162 HG3 -0.01 0.11 -0.15 -0.04 2.39 2.31 2o1pA1 GLN 162 HE21 0.01 -0.11 0.01 -0.04 6.97 6.84 2o1pA1 GLN 162 HE22 0.00 0.65 0.19 -0.04 7.69 8.49 2o1pA1 PRO 163 HA 0.09 0.02 0.54 -0.51 4.44 4.57 2o1pA1 PRO 163 HB2 0.02 0.05 -0.03 -0.04 2.28 2.28 2o1pA1 PRO 163 HB3 0.02 0.01 0.10 -0.04 2.02 2.10 2o1pA1 PRO 163 HG2 0.01 0.04 0.08 -0.04 2.03 2.12 2o1pA1 PRO 163 HG3 0.01 0.04 0.07 -0.04 2.03 2.10 2o1pA1 PRO 163 HD2 0.01 0.14 0.24 -0.04 3.68 4.03 2o1pA1 PRO 163 HD3 0.01 0.14 0.14 -0.04 3.65 3.90 2o1pA1 GLN 164 H 0.02 0.12 -0.11 -0.55 8.47 7.95 2o1pA1 GLN 164 HA 0.04 0.30 1.02 -0.75 4.36 4.96 2o1pA1 GLN 164 HB2 0.01 -0.11 -0.04 -0.04 2.15 1.98 2o1pA1 GLN 164 HB3 0.02 0.20 -0.06 -0.04 2.02 2.13 2o1pA1 GLN 164 HG2 0.02 0.04 -0.26 -0.04 2.40 2.16 2o1pA1 GLN 164 HG3 0.03 0.12 -0.39 -0.04 2.39 2.10 2o1pA1 GLN 164 HE21 0.00 -0.04 -0.08 -0.04 6.97 6.82 2o1pA1 GLN 164 HE22 0.00 0.05 -0.15 -0.04 7.69 7.55 2o1pA1 VAL 165 H 0.01 0.87 0.17 -0.55 8.24 8.74 2o1pA1 VAL 165 HA 0.01 0.14 0.74 -0.75 4.13 4.27 2o1pA1 VAL 165 HB -0.02 -0.09 0.28 -0.04 2.12 2.24 2o1pA1 VAL 165 HG13 0.04 0.03 -0.09 -0.04 0.97 0.91 2o1pA1 VAL 165 HG23 -0.02 -0.02 -0.36 -0.04 0.95 0.51 2o1pA1 PRO 166 HA 0.01 0.15 0.34 -0.51 4.44 4.43 2o1pA1 PRO 166 HB2 0.01 -0.14 -0.05 -0.04 2.28 2.06 2o1pA1 PRO 166 HB3 0.01 0.07 0.05 -0.04 2.02 2.12 2o1pA1 PRO 166 HG2 0.02 -0.03 -0.06 -0.04 2.03 1.92 2o1pA1 PRO 166 HG3 0.01 0.05 -0.03 -0.04 2.03 2.01 2o1pA1 PRO 166 HD2 0.02 0.15 0.01 -0.04 3.68 3.82 2o1pA1 PRO 166 HD3 0.01 0.12 -0.27 -0.04 3.65 3.47 2o1pA1 LEU 167 H 0.00 0.13 0.15 -0.55 8.37 8.10 2o1pA1 LEU 167 HA -0.03 0.18 0.38 -0.75 4.35 4.12 2o1pA1 SER 168 H 0.00 0.00 -0.38 -0.55 8.46 7.54 2o1pA1 SER 168 HA 0.00 0.18 0.40 -0.75 4.49 4.32 2o1pA1 SER 168 HB2 0.01 0.01 0.10 -0.04 3.95 4.02 2o1pA1 SER 168 HB3 0.00 -0.03 0.00 -0.04 3.93 3.86 2o1pA1 LEU 169 H 0.03 0.39 -0.52 -0.55 8.37 7.72 2o1pA1 LEU 169 HA 0.06 -0.04 0.32 -0.75 4.35 3.93 2o1pA1 LEU 169 HB2 0.06 0.03 -0.02 -0.04 1.64 1.67 2o1pA1 LEU 169 HB3 0.15 0.04 -0.07 -0.04 1.64 1.73 2o1pA1 LEU 169 HG 0.11 0.01 -0.27 -0.04 1.64 1.45 2o1pA1 LEU 169 HD13 0.03 -0.03 0.02 -0.04 0.93 0.91 2o1pA1 LEU 169 HD23 0.08 -0.01 -0.10 -0.04 0.89 0.81 2o1pA1 THR 170 H 0.07 0.17 0.24 -0.55 8.28 8.21 2o1pA1 THR 170 HA 0.22 0.22 0.71 -0.75 4.39 4.78 2o1pA1 THR 170 HB 0.05 -0.08 0.08 -0.04 4.32 4.33 2o1pA1 THR 170 HG23 0.07 0.07 -0.10 -0.04 1.22 1.22 2o1pA1 LEU 171 H -0.05 0.21 0.03 -0.55 8.37 8.01 2o1pA1 LEU 171 HA -0.08 0.21 0.70 -0.75 4.35 4.43 2o1pA1 LEU 171 HB2 -0.26 0.01 -0.00 -0.04 1.64 1.35 2o1pA1 LEU 171 HB3 -0.20 0.05 0.06 -0.04 1.64 1.51 2o1pA1 LEU 171 HG -0.54 -0.06 -0.23 -0.04 1.64 0.78 2o1pA1 LEU 171 HD13 -0.98 0.01 -0.10 -0.04 0.93 -0.19 2o1pA1 LEU 171 HD23 -0.17 0.03 -0.24 -0.04 0.89 0.48 2o1pA1 SER 172 H -0.02 0.11 -0.29 -0.55 8.46 7.71 2o1pA1 SER 172 HA -0.02 0.14 0.42 -0.75 4.49 4.28 2o1pA1 SER 172 HB2 -0.01 -0.03 0.02 -0.04 3.95 3.89 2o1pA1 SER 172 HB3 -0.01 0.03 -0.02 -0.04 3.93 3.89 2o1pA1 ASP 173 H -0.02 0.10 -0.22 -0.55 8.40 7.72 2o1pA1 ASP 173 HA -0.02 0.06 0.41 -0.75 4.63 4.33 2o1pA1 ASP 173 HB2 -0.01 0.05 0.06 -0.04 2.71 2.76 2o1pA1 ASP 173 HB3 -0.02 0.06 0.12 -0.04 2.70 2.83 2o1pA1 LYS 174 H -0.04 0.24 0.23 -0.55 8.42 8.30 2o1pA1 LYS 174 HA 0.02 0.16 0.34 -0.75 4.32 4.08 2o1pA1 LYS 174 HB2 -0.06 -0.01 0.06 -0.04 1.87 1.81 2o1pA1 LYS 174 HB3 -0.01 0.10 0.09 -0.04 1.79 1.94 2o1pA1 LYS 174 HG2 -0.11 0.03 0.13 -0.04 1.46 1.46 2o1pA1 LYS 174 HG3 -0.14 -0.05 -0.02 -0.04 1.46 1.21 2o1pA1 LYS 174 HD2 -0.52 -0.04 -0.02 -0.04 1.69 1.07 2o1pA1 LYS 174 HD3 -0.74 0.01 -0.04 -0.04 1.68 0.88 2o1pA1 LYS 174 HE2 -0.19 -0.03 0.02 -0.04 2.99 2.75 2o1pA1 LYS 174 HE3 -0.33 0.11 -0.02 -0.04 2.99 2.71 2o1pA1 ASN 175 H -0.03 0.07 -0.28 -0.55 8.53 7.74 2o1pA1 ASN 175 HA -0.02 0.03 0.52 -0.75 4.76 4.54 2o1pA1 ASN 175 HB2 -0.02 0.01 -0.04 -0.04 2.88 2.79 2o1pA1 ASN 175 HB3 -0.02 0.05 0.01 -0.04 2.79 2.80 2o1pA1 ASN 175 HD21 -0.02 0.01 0.00 -0.04 7.03 6.98 2o1pA1 ASN 175 HD22 -0.02 0.03 -0.01 -0.04 7.74 7.70 2o1pA1 LEU 176 H -0.02 0.59 -0.34 -0.55 8.37 8.06 2o1pA1 LEU 176 HA -0.02 0.05 0.37 -0.75 4.35 4.00 2o1pA1 LEU 176 HB2 -0.03 0.11 -0.03 -0.04 1.64 1.65 2o1pA1 LEU 176 HB3 -0.04 -0.05 0.02 -0.04 1.64 1.54 2o1pA1 LEU 176 HG -0.02 -0.07 0.03 -0.04 1.64 1.54 2o1pA1 LEU 176 HD13 -0.04 0.04 -0.02 -0.04 0.93 0.87 2o1pA1 LEU 176 HD23 -0.02 -0.01 -0.03 -0.04 0.89 0.79 2o1pA1 LEU 177 H 0.01 0.43 -0.46 -0.55 8.37 7.80 2o1pA1 LEU 177 HA -0.01 0.10 0.56 -0.75 4.35 4.24 2o1pA1 LEU 177 HB2 0.08 0.07 0.03 -0.04 1.64 1.78 2o1pA1 LEU 177 HB3 0.03 -0.07 -0.00 -0.04 1.64 1.55 2o1pA1 LEU 177 HG 0.03 -0.02 -0.05 -0.04 1.64 1.56 2o1pA1 LEU 177 HD13 0.12 0.01 -0.11 -0.04 0.93 0.91 2o1pA1 LEU 177 HD23 -0.03 0.00 -0.17 -0.04 0.89 0.65 2o1pA1 ARG 178 H 0.01 0.16 -0.04 -0.55 8.46 8.04 2o1pA1 ARG 178 HA 0.02 -0.02 0.52 -0.75 4.34 4.10 2o1pA1 ARG 178 HB2 0.00 -0.02 0.02 -0.04 1.90 1.87 2o1pA1 ARG 178 HB3 0.01 -0.05 0.12 -0.04 1.80 1.84 2o1pA1 ARG 178 HG2 -0.00 -0.07 0.21 -0.04 1.67 1.77 2o1pA1 ARG 178 HG3 -0.00 0.17 0.13 -0.04 1.67 1.92 2o1pA1 ARG 178 HD2 -0.01 0.01 0.10 -0.04 3.22 3.28 2o1pA1 ARG 178 HD3 -0.00 -0.03 0.03 -0.04 3.22 3.17 2o1pA1 ASN 179 H 0.00 0.07 0.16 -0.55 8.53 8.22 2o1pA1 ASN 179 HA -0.00 -0.05 0.35 -0.75 4.76 4.31 2o1pA1 ASN 179 HB2 -0.01 0.38 0.08 -0.04 2.88 3.29 2o1pA1 ASN 179 HB3 -0.01 -0.06 0.15 -0.04 2.79 2.83 2o1pA1 ASN 179 HD21 -0.00 -0.04 -0.02 -0.04 7.03 6.92 2o1pA1 ASN 179 HD22 -0.00 0.05 -0.01 -0.04 7.74 7.73 2o1pA1 LEU 180 H -0.01 0.47 -0.45 -0.55 8.37 7.83 2o1pA1 LEU 180 HA -0.02 0.06 0.68 -0.75 4.35 4.32 2o1pA1 LEU 180 HB2 -0.03 0.07 0.08 -0.04 1.64 1.73 2o1pA1 LEU 180 HB3 -0.04 -0.12 0.04 -0.04 1.64 1.48 2o1pA1 LEU 180 HG -0.02 0.18 0.02 -0.04 1.64 1.78 2o1pA1 LEU 180 HD13 -0.05 -0.04 -0.13 -0.04 0.93 0.67 2o1pA1 LEU 180 HD23 -0.03 -0.01 0.03 -0.04 0.89 0.83 2o1pA1 ASP 181 H -0.03 0.10 0.20 -0.55 8.40 8.12 2o1pA1 ASP 181 HA -0.02 0.27 0.90 -0.75 4.63 5.02 2o1pA1 ASP 181 HB2 -0.03 -0.13 0.22 -0.04 2.71 2.73 2o1pA1 ASP 181 HB3 -0.02 0.12 0.12 -0.04 2.70 2.88 2o1pA1 GLU 182 H -0.04 0.19 0.18 -0.55 8.60 8.38 2o1pA1 GLU 182 HA -0.05 0.11 0.22 -0.75 4.29 3.81 2o1pA1 GLU 182 HB2 -0.04 0.04 0.16 -0.04 2.09 2.22 2o1pA1 GLU 182 HB3 -0.05 -0.01 0.19 -0.04 1.99 2.08 2o1pA1 GLU 182 HG2 -0.04 0.04 0.03 -0.04 2.34 2.33 2o1pA1 GLU 182 HG3 -0.09 0.02 -0.10 -0.04 2.34 2.13 2o1pA1 LYS 183 H -0.07 0.09 -0.08 -0.55 8.42 7.81 2o1pA1 LYS 183 HA -0.14 0.11 0.36 -0.75 4.32 3.90 2o1pA1 LYS 183 HB2 -0.06 -0.08 0.15 -0.04 1.87 1.83 2o1pA1 LYS 183 HB3 -0.08 0.08 0.04 -0.04 1.79 1.80 2o1pA1 LYS 183 HG2 -0.17 0.10 0.15 -0.04 1.46 1.50 2o1pA1 LYS 183 HG3 -0.10 -0.07 0.11 -0.04 1.46 1.35 2o1pA1 LYS 183 HD2 -0.03 -0.07 0.08 -0.04 1.69 1.63 2o1pA1 LYS 183 HD3 -0.05 0.13 0.13 -0.04 1.68 1.85 2o1pA1 LYS 183 HE2 -0.03 -0.10 0.07 -0.04 2.99 2.88 2o1pA1 LYS 183 HE3 -0.00 -0.01 0.06 -0.04 2.99 2.99 2o1pA1 ASP 184 H -0.07 0.14 -0.20 -0.55 8.40 7.72 2o1pA1 ASP 184 HA -0.09 0.08 0.54 -0.75 4.63 4.41 2o1pA1 ASP 184 HB2 -0.06 0.05 0.15 -0.04 2.71 2.81 2o1pA1 ASP 184 HB3 -0.07 0.08 0.06 -0.04 2.70 2.73 2o1pA1 LEU 185 H -0.06 0.48 -0.11 -0.55 8.37 8.13 2o1pA1 LEU 185 HA -0.07 0.08 0.50 -0.75 4.35 4.11 2o1pA1 LEU 185 HB2 -0.06 0.06 0.07 -0.04 1.64 1.67 2o1pA1 LEU 185 HB3 -0.06 -0.00 -0.06 -0.04 1.64 1.48 2o1pA1 LEU 185 HG -0.04 0.03 -0.15 -0.04 1.64 1.44 2o1pA1 LEU 185 HD13 -0.03 -0.03 -0.14 -0.04 0.93 0.69 2o1pA1 LEU 185 HD23 -0.03 0.03 -0.02 -0.04 0.89 0.83 2o1pA1 ARG 186 H -0.09 0.55 -0.11 -0.55 8.46 8.26 2o1pA1 ARG 186 HA -0.07 0.03 0.42 -0.75 4.34 3.97 2o1pA1 ARG 186 HB2 -0.12 0.09 0.19 -0.04 1.90 2.02 2o1pA1 ARG 186 HB3 -0.09 -0.04 -0.01 -0.04 1.80 1.63 2o1pA1 ARG 186 HG2 -0.04 -0.03 0.02 -0.04 1.67 1.58 2o1pA1 ARG 186 HG3 -0.07 0.01 0.03 -0.04 1.67 1.60 2o1pA1 ARG 186 HD2 -0.10 -0.02 -0.03 -0.04 3.22 3.03 2o1pA1 ARG 186 HD3 -0.03 -0.02 -0.02 -0.04 3.22 3.11 2o1pA1 ALA 187 H -0.10 0.68 0.00 -0.55 8.40 8.43 2o1pA1 ALA 187 HA -0.12 -0.03 0.34 -0.75 4.34 3.77 2o1pA1 ALA 187 HB3 -0.11 0.00 0.01 -0.04 1.41 1.26 2o1pA1 LEU 188 H -0.13 0.38 -0.61 -0.55 8.37 7.47 2o1pA1 LEU 188 HA -0.21 0.05 0.52 -0.75 4.35 3.96 2o1pA1 LEU 188 HB2 -0.12 0.31 0.08 -0.04 1.64 1.87 2o1pA1 LEU 188 HB3 -0.12 0.06 -0.07 -0.04 1.64 1.46 2o1pA1 LEU 188 HG -0.18 -0.05 -0.04 -0.04 1.64 1.33 2o1pA1 LEU 188 HD13 -0.18 -0.02 -0.12 -0.04 0.93 0.57 2o1pA1 LEU 188 HD23 -0.09 0.00 -0.14 -0.04 0.89 0.62 2o1pA1 ASN 189 H -0.14 0.40 -0.21 -0.55 8.53 8.04 2o1pA1 ASN 189 HA -0.10 0.08 0.32 -0.75 4.76 4.31 2o1pA1 ASN 189 HB2 -0.08 0.21 0.14 -0.04 2.88 3.10 2o1pA1 ASN 189 HB3 -0.09 0.06 0.16 -0.04 2.79 2.88 2o1pA1 ASN 189 HD21 -0.05 0.06 -0.11 -0.04 7.03 6.88 2o1pA1 ASN 189 HD22 -0.06 0.05 -0.02 -0.04 7.74 7.66 2o1pA1 GLY 190 H -0.24 0.33 -0.19 -0.55 8.43 7.79 2o1pA1 GLY 190 HA2 -0.07 0.00 0.30 -0.51 4.01 3.73 2o1pA1 GLY 190 HA3 -0.45 0.05 0.23 -0.51 4.01 3.33 2o1pA1 THR 191 H -0.37 0.27 -0.40 -0.55 8.28 7.24 2o1pA1 THR 191 HA 0.02 -0.02 0.39 -0.75 4.39 4.02 2o1pA1 THR 191 HB -0.26 0.16 -0.02 -0.04 4.32 4.16 2o1pA1 THR 191 HG23 -0.07 0.03 -0.13 -0.04 1.22 1.00 2o1pA1 ARG 192 H -0.14 0.43 -0.10 -0.55 8.46 8.10 2o1pA1 ARG 192 HA -0.07 0.01 0.41 -0.75 4.34 3.94 2o1pA1 ARG 192 HB2 -0.07 0.11 0.12 -0.04 1.90 2.02 2o1pA1 ARG 192 HB3 -0.04 -0.03 -0.01 -0.04 1.80 1.68 2o1pA1 ARG 192 HG2 -0.09 0.13 0.00 -0.04 1.67 1.68 2o1pA1 ARG 192 HG3 -0.14 0.00 0.04 -0.04 1.67 1.52 2o1pA1 ARG 192 HD2 -0.07 0.01 -0.09 -0.04 3.22 3.03 2o1pA1 ARG 192 HD3 -0.08 -0.03 -0.18 -0.04 3.22 2.89 2o1pA1 VAL 193 H -0.04 0.51 -0.29 -0.55 8.24 7.87 2o1pA1 VAL 193 HA -0.01 0.00 0.38 -0.75 4.13 3.75 2o1pA1 VAL 193 HB 0.01 0.14 0.13 -0.04 2.12 2.35 2o1pA1 VAL 193 HG13 0.02 -0.03 -0.11 -0.04 0.97 0.81 2o1pA1 VAL 193 HG23 -0.03 0.03 -0.02 -0.04 0.95 0.89 2o1pA1 THR 194 H 0.05 0.43 0.02 -0.55 8.28 8.22 2o1pA1 THR 194 HA 0.08 0.00 0.43 -0.75 4.39 4.15 2o1pA1 THR 194 HB 0.12 0.14 0.18 -0.04 4.32 4.72 2o1pA1 THR 194 HG23 0.12 -0.00 -0.13 -0.04 1.22 1.17 2o1pA1 ASP 195 H 0.03 0.58 -0.16 -0.55 8.40 8.30 2o1pA1 ASP 195 HA 0.03 0.05 0.40 -0.75 4.63 4.36 2o1pA1 ASP 195 HB2 0.00 0.13 0.08 -0.04 2.71 2.88 2o1pA1 ASP 195 HB3 0.02 -0.04 -0.03 -0.04 2.70 2.61 2o1pA1 GLU 196 H -0.00 0.31 -0.37 -0.55 8.60 7.99 2o1pA1 GLU 196 HA -0.02 0.06 0.39 -0.75 4.29 3.96 2o1pA1 GLU 196 HB2 -0.01 0.04 0.14 -0.04 2.09 2.22 2o1pA1 GLU 196 HB3 -0.01 -0.01 -0.10 -0.04 1.99 1.82 2o1pA1 GLU 196 HG2 -0.01 -0.05 -0.06 -0.04 2.34 2.19 2o1pA1 GLU 196 HG3 -0.01 0.22 0.03 -0.04 2.34 2.54 2o1pA1 ILE 197 H -0.01 0.60 0.01 -0.55 8.25 8.31 2o1pA1 ILE 197 HA -0.08 0.03 0.39 -0.75 4.18 3.77 2o1pA1 ILE 197 HB 0.02 0.09 0.13 -0.04 1.89 2.09 2o1pA1 ILE 197 HG12 0.01 -0.01 -0.01 -0.04 1.49 1.43 2o1pA1 ILE 197 HG13 0.01 0.18 0.08 -0.04 1.21 1.44 2o1pA1 ILE 197 HG23 -0.07 -0.01 -0.20 -0.04 0.93 0.61 2o1pA1 ILE 197 HD13 0.08 -0.05 -0.10 -0.04 0.88 0.77 2o1pA1 LEU 198 H -0.03 0.44 -0.33 -0.55 8.37 7.91 2o1pA1 LEU 198 HA -0.16 -0.01 0.40 -0.75 4.35 3.82 2o1pA1 LEU 198 HB2 -0.00 0.13 0.11 -0.04 1.64 1.84 2o1pA1 LEU 198 HB3 -0.01 -0.04 -0.00 -0.04 1.64 1.55 2o1pA1 LEU 198 HG 0.06 -0.03 0.01 -0.04 1.64 1.64 2o1pA1 LEU 198 HD13 0.05 0.02 -0.05 -0.04 0.93 0.90 2o1pA1 LEU 198 HD23 0.09 -0.00 0.05 -0.04 0.89 0.98 2o1pA1 GLU 199 H -0.05 0.35 -0.29 -0.55 8.60 8.06 2o1pA1 GLU 199 HA -0.06 0.14 0.83 -0.75 4.29 4.43 2o1pA1 GLU 199 HB2 -0.04 0.07 0.13 -0.04 2.09 2.21 2o1pA1 GLU 199 HB3 -0.04 -0.07 0.14 -0.04 1.99 1.97 2o1pA1 GLU 199 HG2 -0.03 -0.05 0.04 -0.04 2.34 2.26 2o1pA1 GLU 199 HG3 -0.02 -0.00 -0.07 -0.04 2.34 2.21 2o1pA1 LEU 200 H -0.12 0.35 -0.41 -0.55 8.37 7.65 2o1pA1 LEU 200 HA -0.10 0.10 0.74 -0.75 4.35 4.34 2o1pA1 LEU 200 HB2 -0.09 0.02 0.02 -0.04 1.64 1.55 2o1pA1 LEU 200 HB3 -0.07 0.03 0.10 -0.04 1.64 1.67 2o1pA1 LEU 200 HG -0.05 0.00 -0.26 -0.04 1.64 1.29 2o1pA1 LEU 200 HD13 -0.03 -0.05 -0.26 -0.04 0.93 0.54 2o1pA1 LEU 200 HD23 -0.04 0.03 -0.09 -0.04 0.89 0.75 2o1pA1 VAL 201 H -0.18 0.18 -0.14 -0.55 8.24 7.55 2o1pA1 VAL 201 HA -0.11 0.34 0.92 -0.75 4.13 4.53 2o1pA1 VAL 201 HB -0.15 -0.10 -0.06 -0.04 2.12 1.76 2o1pA1 VAL 201 HG13 -0.50 0.04 -0.05 -0.04 0.97 0.41 2o1pA1 VAL 201 HG23 -0.43 -0.01 -0.03 -0.04 0.95 0.44 2o1pA1 PRO 202 HA -0.11 0.07 0.48 -0.51 4.44 4.37 2o1pA1 PRO 202 HB2 0.11 0.00 0.00 -0.04 2.28 2.35 2o1pA1 PRO 202 HB3 -0.07 0.02 -0.00 -0.04 2.02 1.92 2o1pA1 PRO 202 HG2 0.10 -0.04 0.08 -0.04 2.03 2.12 2o1pA1 PRO 202 HG3 0.16 0.19 0.05 -0.04 2.03 2.38 2o1pA1 PRO 202 HD2 0.01 -0.06 0.04 -0.04 3.68 3.63 2o1pA1 PRO 202 HD3 -0.02 0.55 0.15 -0.04 3.65 4.29 2o1pA1 LYS 203 H 0.05 0.18 -0.11 -0.55 8.42 7.99 2o1pA1 LYS 203 HA 0.04 0.24 0.82 -0.75 4.32 4.66 2o1pA1 LYS 203 HB2 0.08 -0.00 0.19 -0.04 1.87 2.10 2o1pA1 LYS 203 HB3 0.06 -0.20 0.12 -0.04 1.79 1.73 2o1pA1 LYS 203 HG2 0.08 0.16 -0.16 -0.04 1.46 1.50 2o1pA1 LYS 203 HG3 0.07 -0.02 0.06 -0.04 1.46 1.53 2o1pA1 LYS 203 HD2 0.05 -0.14 0.11 -0.04 1.69 1.66 2o1pA1 LYS 203 HD3 0.05 0.34 0.06 -0.04 1.68 2.08 2o1pA1 LYS 203 HE2 0.06 -0.07 0.03 -0.04 2.99 2.96 2o1pA1 LYS 203 HE3 0.05 -0.06 0.03 -0.04 2.99 2.97 2o1pA1 PRO 204 HA 0.19 0.09 0.42 -0.51 4.44 4.63 2o1pA1 PRO 204 HB2 0.07 -0.03 0.03 -0.04 2.28 2.32 2o1pA1 PRO 204 HB3 0.10 0.10 0.10 -0.04 2.02 2.28 2o1pA1 PRO 204 HG2 0.02 0.04 0.07 -0.04 2.03 2.11 2o1pA1 PRO 204 HG3 -0.01 0.25 0.03 -0.04 2.03 2.26 2o1pA1 PRO 204 HD2 0.03 0.02 0.17 -0.04 3.68 3.86 2o1pA1 PRO 204 HD3 0.01 0.38 -0.12 -0.04 3.65 3.88 2o1pA1 ASN 205 H 0.07 0.16 -0.14 -0.55 8.53 8.07 2o1pA1 ASN 205 HA 0.07 0.15 0.54 -0.75 4.76 4.77 2o1pA1 ASN 205 HB2 0.03 0.01 0.06 -0.04 2.88 2.94 2o1pA1 ASN 205 HB3 0.04 0.06 0.10 -0.04 2.79 2.94 2o1pA1 ASN 205 HD21 0.03 0.02 -0.02 -0.04 7.03 7.02 2o1pA1 ASN 205 HD22 0.02 -0.01 -0.06 -0.04 7.74 7.65 2o1pA1 VAL 206 H 0.08 0.18 -0.16 -0.55 8.24 7.79 2o1pA1 VAL 206 HA 0.04 -0.09 0.43 -0.75 4.13 3.76 2o1pA1 VAL 206 HB 0.10 0.24 0.13 -0.04 2.12 2.56 2o1pA1 VAL 206 HG13 0.08 0.00 -0.22 -0.04 0.97 0.80 2o1pA1 VAL 206 HG23 0.06 -0.01 0.07 -0.04 0.95 1.03 2o1pA1 PHE 207 H 0.23 0.45 -0.21 -0.55 8.34 8.26 2o1pA1 PHE 207 HA 0.02 0.02 0.31 -0.75 4.62 4.22 2o1pA1 PHE 207 HB2 0.03 0.03 0.01 -0.04 3.15 3.17 2o1pA1 PHE 207 HB3 0.02 0.07 0.15 -0.04 3.06 3.26 2o1pA1 PHE 207 HD2 0.03 0.05 -0.09 -0.04 7.28 7.23 2o1pA1 PHE 207 HE2 0.05 0.04 -0.07 -0.04 7.38 7.36 2o1pA1 PHE 207 HZ 0.05 -0.08 -0.11 -0.04 7.32 7.14 2o1pA1 ARG 208 H 0.07 0.52 -0.21 -0.55 8.46 8.28 2o1pA1 ARG 208 HA -0.41 0.01 0.28 -0.75 4.34 3.47 2o1pA1 ARG 208 HB2 0.01 0.03 0.20 -0.04 1.90 2.11 2o1pA1 ARG 208 HB3 -0.04 0.00 -0.04 -0.04 1.80 1.69 2o1pA1 ARG 208 HG2 -0.00 0.00 -0.04 -0.04 1.67 1.59 2o1pA1 ARG 208 HG3 0.15 0.25 0.11 -0.04 1.67 2.14 2o1pA1 ARG 208 HD2 0.06 -0.14 0.00 -0.04 3.22 3.10 2o1pA1 ARG 208 HD3 0.04 0.10 0.05 -0.04 3.22 3.37 2o1pA1 ILE 209 H -0.04 0.47 -0.09 -0.55 8.25 8.04 2o1pA1 ILE 209 HA -0.07 0.05 0.48 -0.75 4.18 3.88 2o1pA1 ILE 209 HB -0.03 0.06 0.18 -0.04 1.89 2.07 2o1pA1 ILE 209 HG12 0.04 -0.07 0.04 -0.04 1.49 1.46 2o1pA1 ILE 209 HG13 0.08 0.03 0.02 -0.04 1.21 1.30 2o1pA1 ILE 209 HG23 -0.08 -0.02 -0.12 -0.04 0.93 0.66 2o1pA1 ILE 209 HD13 0.02 0.05 0.04 -0.04 0.88 0.95 2o1pA1 ALA 210 H -0.09 0.58 -0.08 -0.55 8.40 8.27 2o1pA1 ALA 210 HA -0.14 -0.05 0.37 -0.75 4.34 3.76 2o1pA1 ALA 210 HB3 -0.09 0.03 0.06 -0.04 1.41 1.37 2o1pA1 LEU 211 H -0.29 0.57 -0.31 -0.55 8.37 7.79 2o1pA1 LEU 211 HA -0.17 -0.01 0.29 -0.75 4.35 3.70 2o1pA1 LEU 211 HB2 -0.59 0.07 0.04 -0.04 1.64 1.11 2o1pA1 LEU 211 HB3 -0.40 0.12 0.08 -0.04 1.64 1.40 2o1pA1 LEU 211 HG -0.10 -0.01 -0.24 -0.04 1.64 1.25 2o1pA1 LEU 211 HD13 0.06 -0.02 -0.10 -0.04 0.93 0.83 2o1pA1 LEU 211 HD23 -0.12 -0.01 -0.08 -0.04 0.89 0.63 2o1pA1 ARG 212 H -0.20 0.65 -0.03 -0.55 8.46 8.33 2o1pA1 ARG 212 HA -0.19 0.03 0.45 -0.75 4.34 3.87 2o1pA1 ARG 212 HB2 -0.21 0.11 0.23 -0.04 1.90 2.00 2o1pA1 ARG 212 HB3 -0.31 -0.07 0.02 -0.04 1.80 1.39 2o1pA1 ARG 212 HG2 -0.30 0.08 0.07 -0.04 1.67 1.47 2o1pA1 ARG 212 HG3 -0.21 0.10 0.11 -0.04 1.67 1.63 2o1pA1 ARG 212 HD2 -0.17 -0.08 -0.07 -0.04 3.22 2.86 2o1pA1 ARG 212 HD3 -0.80 -0.08 -0.07 -0.04 3.22 2.23 2o1pA1 ALA 213 H -0.15 0.54 -0.20 -0.55 8.40 8.04 2o1pA1 ALA 213 HA -0.06 -0.03 0.38 -0.75 4.34 3.87 2o1pA1 ALA 213 HB3 -0.03 0.04 0.06 -0.04 1.41 1.44 2o1pA1 ILE 214 H -0.15 0.53 -0.06 -0.55 8.25 8.02 2o1pA1 ILE 214 HA 0.01 0.03 0.37 -0.75 4.18 3.84 2o1pA1 ILE 214 HB -0.17 0.07 0.10 -0.04 1.89 1.85 2o1pA1 ILE 214 HG12 -0.56 0.15 0.02 -0.04 1.49 1.06 2o1pA1 ILE 214 HG13 -1.11 -0.01 -0.05 -0.04 1.21 -0.00 2o1pA1 ILE 214 HG23 -0.13 -0.01 -0.13 -0.04 0.93 0.62 2o1pA1 ILE 214 HD13 -1.08 -0.01 -0.06 -0.04 0.88 -0.31 2o1pA1 LYS 215 H -0.06 0.63 -0.25 -0.55 8.42 8.19 2o1pA1 LYS 215 HA 0.00 -0.03 0.31 -0.75 4.32 3.85 2o1pA1 LYS 215 HB2 -0.08 0.24 0.19 -0.04 1.87 2.18 2o1pA1 LYS 215 HB3 -0.10 -0.05 -0.04 -0.04 1.79 1.56 2o1pA1 LYS 215 HG2 0.31 -0.12 -0.01 -0.04 1.46 1.60 2o1pA1 LYS 215 HG3 0.10 0.04 -0.02 -0.04 1.46 1.53 2o1pA1 LYS 215 HD2 0.07 -0.09 -0.08 -0.04 1.69 1.54 2o1pA1 LYS 215 HD3 -0.04 0.12 -0.08 -0.04 1.68 1.65 2o1pA1 LYS 215 HE2 0.01 0.04 -0.05 -0.04 2.99 2.94 2o1pA1 LYS 215 HE3 -0.04 0.04 -0.03 -0.04 2.99 2.93 2o1pA1 LEU 216 H -0.13 0.54 0.02 -0.55 8.37 8.26 2o1pA1 LEU 216 HA -0.18 0.00 0.46 -0.75 4.35 3.88 2o1pA1 LEU 216 HB2 -0.31 0.02 0.11 -0.04 1.64 1.42 2o1pA1 LEU 216 HB3 -0.36 0.08 0.13 -0.04 1.64 1.45 2o1pA1 LEU 216 HG -0.39 0.03 -0.18 -0.04 1.64 1.06 2o1pA1 LEU 216 HD13 -0.22 -0.00 0.02 -0.04 0.93 0.69 2o1pA1 LEU 216 HD23 -0.97 -0.02 -0.05 -0.04 0.89 -0.18 2o1pA1 TRP 217 H 0.28 0.62 -0.23 -0.55 7.97 8.10 2o1pA1 TRP 217 HA 0.25 0.04 0.24 -0.75 4.62 4.40 2o1pA1 TRP 217 HB2 0.41 -0.06 0.01 -0.04 3.23 3.55 2o1pA1 TRP 217 HB3 0.08 0.08 0.15 -0.04 3.23 3.49 2o1pA1 TRP 217 HD1 0.05 0.25 0.00 -0.04 7.22 7.48 2o1pA1 TRP 217 HE1 -0.04 0.02 -0.02 -0.04 10.20 10.11 2o1pA1 TRP 217 HE3 -0.34 0.19 0.04 -0.04 7.59 7.44 2o1pA1 TRP 217 HZ2 0.25 0.08 -0.27 -0.04 7.44 7.46 2o1pA1 TRP 217 HZ3 -0.76 -0.04 -0.06 -0.04 7.13 6.23 2o1pA1 TRP 217 HH2 0.46 0.01 -0.10 -0.04 7.19 7.52 2o1pA1 ALA 218 H 0.00 0.71 -0.17 -0.55 8.40 8.40 2o1pA1 ALA 218 HA -0.97 0.02 0.31 -0.75 4.34 2.94 2o1pA1 ALA 218 HB3 -0.47 0.01 -0.06 -0.04 1.41 0.85 2o1pA1 GLN 219 H -0.21 0.69 -0.06 -0.55 8.47 8.35 2o1pA1 GLN 219 HA -0.19 -0.04 0.49 -0.75 4.36 3.87 2o1pA1 GLN 219 HB2 -0.22 0.14 0.19 -0.04 2.15 2.22 2o1pA1 GLN 219 HB3 -0.20 -0.04 0.03 -0.04 2.02 1.77 2o1pA1 GLN 219 HG2 -0.42 -0.04 0.05 -0.04 2.40 1.96 2o1pA1 GLN 219 HG3 -0.69 -0.03 0.05 -0.04 2.39 1.68 2o1pA1 GLN 219 HE21 -0.35 -0.03 -0.04 -0.04 6.97 6.51 2o1pA1 GLN 219 HE22 -0.96 -0.08 -0.02 -0.04 7.69 6.59 2o1pA1 ARG 220 H -0.15 0.67 -0.11 -0.55 8.46 8.32 2o1pA1 ARG 220 HA -0.07 -0.05 0.38 -0.75 4.34 3.86 2o1pA1 ARG 220 HB2 -0.02 0.12 0.10 -0.04 1.90 2.05 2o1pA1 ARG 220 HB3 0.01 0.13 -0.25 -0.04 1.80 1.65 2o1pA1 ARG 220 HG2 -0.05 -0.07 0.04 -0.04 1.67 1.55 2o1pA1 ARG 220 HG3 0.07 -0.01 -0.04 -0.04 1.67 1.65 2o1pA1 ARG 220 HD2 0.06 0.23 -0.06 -0.04 3.22 3.41 2o1pA1 ARG 220 HD3 0.00 -0.13 0.03 -0.04 3.22 3.09 2o1pA1 ARG 221 H -0.38 0.53 -0.20 -0.55 8.46 7.86 2o1pA1 ARG 221 HA -0.14 0.01 0.63 -0.75 4.34 4.08 2o1pA1 ARG 221 HB2 -0.78 -0.02 0.03 -0.04 1.90 1.09 2o1pA1 ARG 221 HB3 -0.31 -0.09 0.12 -0.04 1.80 1.48 2o1pA1 ARG 221 HG2 -0.69 0.35 0.10 -0.04 1.67 1.39 2o1pA1 ARG 221 HG3 -0.74 -0.08 -0.01 -0.04 1.67 0.80 2o1pA1 ARG 221 HD2 -0.08 0.07 -0.24 -0.04 3.22 2.93 2o1pA1 ARG 221 HD3 0.03 0.16 -0.02 -0.04 3.22 3.34 2o1pA1 ALA 222 H -0.23 0.37 -0.68 -0.55 8.40 7.31 2o1pA1 ALA 222 HA -0.31 0.04 0.36 -0.75 4.34 3.68 2o1pA1 ALA 222 HB3 -0.27 -0.01 0.05 -0.04 1.41 1.14 2o1pA1 VAL 223 H -0.32 0.69 -0.11 -0.55 8.24 7.95 2o1pA1 VAL 223 HA -0.89 0.16 0.69 -0.75 4.13 3.33 2o1pA1 VAL 223 HB 0.18 -0.08 0.16 -0.04 2.12 2.34 2o1pA1 VAL 223 HG13 -0.23 0.07 -0.22 -0.04 0.97 0.55 2o1pA1 VAL 223 HG23 -0.49 -0.00 -0.05 -0.04 0.95 0.38 2o1pA1 TYR 224 H -0.05 0.22 -0.31 -0.55 8.29 7.59 2o1pA1 TYR 224 HA 0.46 0.34 0.74 -0.75 4.56 5.35 2o1pA1 TYR 224 HB2 -0.05 -0.04 -0.40 -0.04 3.06 2.53 2o1pA1 TYR 224 HB3 -0.05 0.01 0.04 -0.04 2.98 2.94 2o1pA1 TYR 224 HD2 -0.02 0.04 -0.19 -0.04 7.15 6.94 2o1pA1 TYR 224 HE2 0.09 -0.04 -0.04 -0.04 6.85 6.83 2o1pA1 ALA 225 H 0.18 0.35 -0.40 -0.55 8.40 7.99 2o1pA1 ALA 225 HA 0.19 -0.05 0.33 -0.75 4.34 4.05 2o1pA1 ALA 225 HB3 0.27 0.11 0.07 -0.04 1.41 1.81 2o1pA1 ASN 226 H 0.02 0.08 0.03 -0.55 8.53 8.11 2o1pA1 ASN 226 HA -0.03 0.51 0.34 -0.75 4.76 4.82 2o1pA1 ASN 226 HB2 -0.06 -0.15 0.17 -0.04 2.88 2.80 2o1pA1 ASN 226 HB3 -0.03 -0.01 0.12 -0.04 2.79 2.82 2o1pA1 ASN 226 HD21 -0.05 0.02 -0.04 -0.04 7.03 6.92 2o1pA1 ASN 226 HD22 -0.06 0.00 -0.13 -0.04 7.74 7.52 2o1pA1 ILE 227 H -0.08 0.00 -0.22 -0.55 8.25 7.41 2o1pA1 ILE 227 HA -0.18 0.06 0.35 -0.75 4.18 3.65 2o1pA1 ILE 227 HB -0.73 0.08 -0.06 -0.04 1.89 1.14 2o1pA1 ILE 227 HG12 -0.20 0.06 0.01 -0.04 1.49 1.32 2o1pA1 ILE 227 HG13 -0.14 -0.04 0.04 -0.04 1.21 1.02 2o1pA1 ILE 227 HG23 -0.39 0.02 -0.03 -0.04 0.93 0.49 2o1pA1 ILE 227 HD13 -0.04 0.05 0.01 -0.04 0.88 0.86 2o1pA1 PHE 228 H 0.07 0.29 -0.40 -0.55 8.34 7.75 2o1pA1 PHE 228 HA -0.02 0.13 0.68 -0.75 4.62 4.65 2o1pA1 PHE 228 HB2 0.18 0.04 -0.04 -0.04 3.15 3.29 2o1pA1 PHE 228 HB3 0.11 0.04 0.07 -0.04 3.06 3.24 2o1pA1 PHE 228 HD2 0.01 -0.04 -0.02 -0.04 7.28 7.18 2o1pA1 PHE 228 HE2 -0.03 0.03 -0.08 -0.04 7.38 7.26 2o1pA1 PHE 228 HZ -0.02 -0.07 -0.12 -0.04 7.32 7.07 2o1pA1 GLY 229 H -0.03 0.37 -0.33 -0.55 8.43 7.90 2o1pA1 GLY 229 HA2 -0.16 -0.10 -0.17 -0.51 4.01 3.07 2o1pA1 GLY 229 HA3 -0.25 0.08 0.38 -0.51 4.01 3.71 2o1pA1 PHE 230 H 0.09 0.31 -0.23 -0.55 8.34 7.96 2o1pA1 PHE 230 HA -0.09 0.22 0.72 -0.75 4.62 4.71 2o1pA1 PHE 230 HB2 0.05 -0.15 -0.32 -0.04 3.15 2.70 2o1pA1 PHE 230 HB3 0.08 0.22 -0.26 -0.04 3.06 3.06 2o1pA1 PHE 230 HD2 0.04 -0.03 -0.12 -0.04 7.28 7.12 2o1pA1 PHE 230 HE2 -0.02 0.06 0.00 -0.04 7.38 7.38 2o1pA1 PHE 230 HZ 0.06 -0.05 0.02 -0.04 7.32 7.30 2o1pA1 PRO 231 HA -0.33 -0.02 0.46 -0.51 4.44 4.04 2o1pA1 PRO 231 HB2 -2.04 0.07 0.01 -0.04 2.28 0.28 2o1pA1 PRO 231 HB3 -0.95 -0.06 0.01 -0.04 2.02 0.97 2o1pA1 PRO 231 HG2 -1.14 0.10 0.04 -0.04 2.03 0.99 2o1pA1 PRO 231 HG3 -0.51 0.05 0.00 -0.04 2.03 1.53 2o1pA1 PRO 231 HD2 0.27 0.47 0.21 -0.04 3.68 4.59 2o1pA1 PRO 231 HD3 0.09 0.14 0.18 -0.04 3.65 4.02 2o1pA1 GLY 232 H -0.25 0.09 0.20 -0.55 8.43 7.92 2o1pA1 GLY 232 HA2 -0.27 0.12 0.67 -0.51 4.01 4.03 2o1pA1 GLY 232 HA3 -0.14 0.00 0.43 -0.51 4.01 3.79 2o1pA1 GLY 233 H -0.09 0.16 0.15 -0.55 8.43 8.11 2o1pA1 GLY 233 HA2 0.12 0.19 0.38 -0.51 4.01 4.19 2o1pA1 GLY 233 HA3 0.18 0.06 0.31 -0.51 4.01 4.05 2o1pA1 VAL 234 H 0.02 0.06 -0.10 -0.55 8.24 7.67 2o1pA1 VAL 234 HA 0.09 0.12 0.45 -0.75 4.13 4.04 2o1pA1 VAL 234 HB -0.01 0.01 0.05 -0.04 2.12 2.13 2o1pA1 VAL 234 HG13 0.04 0.03 -0.05 -0.04 0.97 0.94 2o1pA1 VAL 234 HG23 0.07 -0.01 0.05 -0.04 0.95 1.02 2o1pA1 ALA 235 H -0.11 -0.00 -0.22 -0.55 8.40 7.52 2o1pA1 ALA 235 HA -0.12 0.07 0.33 -0.75 4.34 3.86 2o1pA1 ALA 235 HB3 -0.35 0.05 0.04 -0.04 1.41 1.10 2o1pA1 TRP 236 H -0.06 0.45 -0.26 -0.55 7.97 7.55 2o1pA1 TRP 236 HA 0.18 0.09 0.36 -0.75 4.62 4.50 2o1pA1 TRP 236 HB2 0.07 0.02 0.03 -0.04 3.23 3.30 2o1pA1 TRP 236 HB3 0.17 -0.01 -0.09 -0.04 3.23 3.26 2o1pA1 TRP 236 HD1 -0.46 -0.11 -0.31 -0.04 7.22 6.30 2o1pA1 TRP 236 HE1 -0.06 0.21 0.10 -0.04 10.20 10.40 2o1pA1 TRP 236 HE3 0.51 -0.07 -0.02 -0.04 7.59 7.96 2o1pA1 TRP 236 HZ2 0.09 0.26 0.11 -0.04 7.44 7.86 2o1pA1 TRP 236 HZ3 0.97 0.01 -0.06 -0.04 7.13 8.01 2o1pA1 TRP 236 HH2 0.36 0.03 -0.01 -0.04 7.19 7.52 2o1pA1 ALA 237 H 0.22 0.32 -0.39 -0.55 8.40 8.00 2o1pA1 ALA 237 HA 0.24 0.02 0.29 -0.75 4.34 4.14 2o1pA1 ALA 237 HB3 0.21 0.04 0.11 -0.04 1.41 1.72 2o1pA1 MET 238 H 0.10 0.52 -0.09 -0.55 8.47 8.46 2o1pA1 MET 238 HA 0.09 0.03 0.31 -0.75 4.52 4.19 2o1pA1 MET 238 HB2 -0.01 0.06 -0.03 -0.04 2.15 2.13 2o1pA1 MET 238 HB3 -0.01 0.02 -0.06 -0.04 2.03 1.95 2o1pA1 MET 238 HG2 0.03 -0.04 -0.03 -0.04 2.63 2.55 2o1pA1 MET 238 HG3 0.02 0.24 -0.01 -0.04 2.56 2.76 2o1pA1 MET 238 HE3 -0.09 -0.01 -0.30 -0.04 2.10 1.66 2o1pA1 LEU 239 H 0.15 0.43 -0.37 -0.55 8.37 8.04 2o1pA1 LEU 239 HA 0.01 0.03 0.42 -0.75 4.35 4.06 2o1pA1 LEU 239 HB2 0.28 0.14 0.16 -0.04 1.64 2.17 2o1pA1 LEU 239 HB3 0.50 -0.00 -0.06 -0.04 1.64 2.03 2o1pA1 LEU 239 HG 0.02 0.01 -0.03 -0.04 1.64 1.60 2o1pA1 LEU 239 HD13 -0.07 -0.01 -0.05 -0.04 0.93 0.75 2o1pA1 LEU 239 HD23 -0.19 0.01 -0.12 -0.04 0.89 0.56 2o1pA1 VAL 240 H 0.35 0.54 -0.13 -0.55 8.24 8.45 2o1pA1 VAL 240 HA 0.39 0.02 0.47 -0.75 4.13 4.26 2o1pA1 VAL 240 HB 0.26 0.13 0.13 -0.04 2.12 2.60 2o1pA1 VAL 240 HG13 0.13 -0.02 -0.18 -0.04 0.97 0.85 2o1pA1 VAL 240 HG23 -0.02 0.01 -0.08 -0.04 0.95 0.82 2o1pA1 ALA 241 H 0.30 0.62 -0.10 -0.55 8.40 8.68 2o1pA1 ALA 241 HA 0.11 -0.04 0.29 -0.75 4.34 3.95 2o1pA1 ALA 241 HB3 -0.01 0.03 0.04 -0.04 1.41 1.43 2o1pA1 ARG 242 H 0.07 0.35 -0.47 -0.55 8.46 7.86 2o1pA1 ARG 242 HA 0.01 0.08 0.30 -0.75 4.34 3.98 2o1pA1 ARG 242 HB2 -0.06 0.00 -0.01 -0.04 1.90 1.79 2o1pA1 ARG 242 HB3 -0.09 0.10 0.10 -0.04 1.80 1.86 2o1pA1 ARG 242 HG2 -0.28 -0.01 -0.06 -0.04 1.67 1.28 2o1pA1 ARG 242 HG3 -0.05 -0.02 -0.24 -0.04 1.67 1.32 2o1pA1 ARG 242 HD2 -0.01 0.07 -0.05 -0.04 3.22 3.19 2o1pA1 ARG 242 HD3 0.05 -0.04 0.00 -0.04 3.22 3.19 2o1pA1 ILE 243 H 0.09 0.36 -0.11 -0.55 8.25 8.04 2o1pA1 ILE 243 HA 0.12 0.03 0.37 -0.75 4.18 3.94 2o1pA1 ILE 243 HB 0.20 0.07 0.08 -0.04 1.89 2.20 2o1pA1 ILE 243 HG12 0.01 0.25 0.17 -0.04 1.49 1.88 2o1pA1 ILE 243 HG13 0.02 -0.05 0.07 -0.04 1.21 1.20 2o1pA1 ILE 243 HG23 0.18 -0.02 -0.05 -0.04 0.93 1.00 2o1pA1 ILE 243 HD13 -0.12 -0.01 -0.07 -0.04 0.88 0.64 2o1pA1 CYS 244 H 0.15 0.48 -0.30 -0.55 8.50 8.28 2o1pA1 CYS 244 HA 0.18 -0.01 0.49 -0.75 4.58 4.49 2o1pA1 CYS 244 HB2 0.10 0.22 0.07 -0.04 2.97 3.33 2o1pA1 CYS 244 HB3 0.12 -0.09 -0.01 -0.04 2.97 2.95 2o1pA1 GLN 245 H 0.07 0.40 -0.21 -0.55 8.47 8.19 2o1pA1 GLN 245 HA 0.10 0.20 0.51 -0.75 4.36 4.41 2o1pA1 GLN 245 HB2 0.04 0.12 0.05 -0.04 2.15 2.32 2o1pA1 GLN 245 HB3 0.07 -0.10 -0.47 -0.04 2.02 1.47 2o1pA1 GLN 245 HG2 -0.01 0.24 0.07 -0.04 2.40 2.66 2o1pA1 GLN 245 HG3 0.00 0.15 0.15 -0.04 2.39 2.65 2o1pA1 GLN 245 HE21 -0.02 0.31 0.25 -0.04 6.97 7.47 2o1pA1 GLN 245 HE22 -0.05 0.31 0.20 -0.04 7.69 8.11 2o1pA1 LEU 246 H 0.07 0.20 -0.57 -0.55 8.37 7.52 2o1pA1 LEU 246 HA -0.11 0.13 0.51 -0.75 4.35 4.13 2o1pA1 LEU 246 HB2 -0.04 0.14 0.11 -0.04 1.64 1.81 2o1pA1 LEU 246 HB3 -0.44 -0.19 0.09 -0.04 1.64 1.06 2o1pA1 LEU 246 HG 0.02 0.22 -0.04 -0.04 1.64 1.80 2o1pA1 LEU 246 HD13 0.07 -0.04 -0.06 -0.04 0.93 0.87 2o1pA1 LEU 246 HD23 -0.03 0.02 -0.07 -0.04 0.89 0.77 2o1pA1 TYR 247 H 0.18 0.35 -0.20 -0.55 8.29 8.06 2o1pA1 TYR 247 HA 0.04 0.34 0.96 -0.75 4.56 5.14 2o1pA1 TYR 247 HB2 0.06 0.02 0.18 -0.04 3.06 3.27 2o1pA1 TYR 247 HB3 0.05 -0.14 0.12 -0.04 2.98 2.97 2o1pA1 TYR 247 HD2 0.04 0.15 -0.01 -0.04 7.15 7.29 2o1pA1 TYR 247 HE2 0.02 0.00 -0.07 -0.04 6.85 6.76 2o1pA1 PRO 248 HA 0.18 0.13 0.32 -0.51 4.44 4.56 2o1pA1 PRO 248 HB2 0.26 -0.06 -0.03 -0.04 2.28 2.41 2o1pA1 PRO 248 HB3 0.50 0.11 0.08 -0.04 2.02 2.67 2o1pA1 PRO 248 HG2 -0.01 -0.10 0.09 -0.04 2.03 1.97 2o1pA1 PRO 248 HG3 -0.18 0.04 0.03 -0.04 2.03 1.88 2o1pA1 PRO 248 HD2 -0.02 0.38 0.04 -0.04 3.68 4.04 2o1pA1 PRO 248 HD3 0.07 0.36 -0.24 -0.04 3.65 3.79 2o1pA1 ASN 249 H 0.11 0.14 -0.36 -0.55 8.53 7.87 2o1pA1 ASN 249 HA 0.09 0.25 1.02 -0.75 4.76 5.36 2o1pA1 ASN 249 HB2 0.06 0.12 -0.32 -0.04 2.88 2.70 2o1pA1 ASN 249 HB3 0.06 -0.16 0.12 -0.04 2.79 2.77 2o1pA1 ASN 249 HD21 0.03 -0.04 -0.02 -0.04 7.03 6.95 2o1pA1 ASN 249 HD22 0.02 0.36 0.05 -0.04 7.74 8.13 2o1pA1 ALA 250 H 0.14 0.53 -0.16 -0.55 8.40 8.37 2o1pA1 ALA 250 HA 0.08 -0.03 0.62 -0.75 4.34 4.25 2o1pA1 ALA 250 HB3 0.09 0.01 0.07 -0.04 1.41 1.54 2o1pA1 CYS 251 H 0.06 -0.01 0.18 -0.55 8.50 8.19 2o1pA1 CYS 251 HA 0.05 0.19 0.68 -0.75 4.58 4.75 2o1pA1 CYS 251 HB2 0.04 -0.03 0.16 -0.04 2.97 3.10 2o1pA1 CYS 251 HB3 0.05 0.07 0.13 -0.04 2.97 3.18 2o1pA1 SER 252 H 0.02 0.15 0.16 -0.55 8.46 8.25 2o1pA1 SER 252 HA 0.02 0.19 0.35 -0.75 4.49 4.31 2o1pA1 SER 252 HB2 -0.04 -0.05 0.10 -0.04 3.95 3.92 2o1pA1 SER 252 HB3 -0.05 0.05 -0.01 -0.04 3.93 3.87 2o1pA1 ALA 253 H 0.05 0.05 -0.08 -0.55 8.40 7.87 2o1pA1 ALA 253 HA 0.21 0.13 0.43 -0.75 4.34 4.36 2o1pA1 ALA 253 HB3 0.28 0.02 -0.05 -0.04 1.41 1.62 2o1pA1 VAL 254 H 0.16 0.06 -0.31 -0.55 8.24 7.60 2o1pA1 VAL 254 HA 0.19 0.07 0.50 -0.75 4.13 4.13 2o1pA1 VAL 254 HB 0.06 0.04 0.10 -0.04 2.12 2.28 2o1pA1 VAL 254 HG13 -0.19 0.04 -0.13 -0.04 0.97 0.64 2o1pA1 VAL 254 HG23 0.19 -0.01 0.02 -0.04 0.95 1.11 2o1pA1 ILE 255 H 0.03 0.32 -0.19 -0.55 8.25 7.86 2o1pA1 ILE 255 HA -0.05 0.05 0.23 -0.75 4.18 3.66 2o1pA1 ILE 255 HB 0.01 0.07 0.15 -0.04 1.89 2.07 2o1pA1 ILE 255 HG12 0.06 0.12 -0.13 -0.04 1.49 1.50 2o1pA1 ILE 255 HG13 0.09 -0.01 -0.13 -0.04 1.21 1.13 2o1pA1 ILE 255 HG23 0.05 0.00 -0.20 -0.04 0.93 0.74 2o1pA1 ILE 255 HD13 0.12 0.04 -0.10 -0.04 0.88 0.90 2o1pA1 LEU 256 H 0.01 0.45 -0.26 -0.55 8.37 8.03 2o1pA1 LEU 256 HA -0.31 0.03 0.40 -0.75 4.35 3.72 2o1pA1 LEU 256 HB2 0.21 0.10 0.14 -0.04 1.64 2.05 2o1pA1 LEU 256 HB3 0.08 0.00 -0.02 -0.04 1.64 1.66 2o1pA1 LEU 256 HG -0.08 0.12 0.05 -0.04 1.64 1.69 2o1pA1 LEU 256 HD13 -0.04 -0.03 -0.04 -0.04 0.93 0.78 2o1pA1 LEU 256 HD23 -0.35 0.03 0.01 -0.04 0.89 0.54 2o1pA1 ASN 257 H 0.09 0.41 -0.05 -0.55 8.53 8.43 2o1pA1 ASN 257 HA 0.10 0.04 0.39 -0.75 4.76 4.54 2o1pA1 ASN 257 HB2 -0.35 -0.02 0.10 -0.04 2.88 2.57 2o1pA1 ASN 257 HB3 -0.25 0.04 0.19 -0.04 2.79 2.73 2o1pA1 ASN 257 HD21 -0.22 0.01 -0.04 -0.04 7.03 6.74 2o1pA1 ASN 257 HD22 -0.16 -0.02 -0.02 -0.04 7.74 7.51 2o1pA1 ARG 258 H -0.12 0.67 -0.09 -0.55 8.46 8.37 2o1pA1 ARG 258 HA -0.08 -0.04 0.32 -0.75 4.34 3.79 2o1pA1 ARG 258 HB2 -0.22 0.13 0.06 -0.04 1.90 1.83 2o1pA1 ARG 258 HB3 -0.09 -0.02 -0.02 -0.04 1.80 1.63 2o1pA1 ARG 258 HG2 -0.38 0.07 -0.00 -0.04 1.67 1.31 2o1pA1 ARG 258 HG3 -1.29 -0.01 -0.07 -0.04 1.67 0.26 2o1pA1 ARG 258 HD2 -0.09 0.01 -0.00 -0.04 3.22 3.10 2o1pA1 ARG 258 HD3 -0.18 -0.04 -0.07 -0.04 3.22 2.88 2o1pA1 PHE 259 H 0.01 0.65 -0.16 -0.55 8.34 8.29 2o1pA1 PHE 259 HA -0.18 -0.03 0.39 -0.75 4.62 4.05 2o1pA1 PHE 259 HB2 -0.23 0.03 0.09 -0.04 3.15 2.99 2o1pA1 PHE 259 HB3 -0.57 0.19 0.22 -0.04 3.06 2.85 2o1pA1 PHE 259 HD2 -0.79 0.03 -0.14 -0.04 7.28 6.35 2o1pA1 PHE 259 HE2 0.03 -0.03 -0.27 -0.04 7.38 7.07 2o1pA1 PHE 259 HZ 0.63 -0.02 -0.09 -0.04 7.32 7.79 2o1pA1 PHE 260 H -0.17 0.51 -0.11 -0.55 8.34 8.02 2o1pA1 PHE 260 HA -0.18 -0.00 0.41 -0.75 4.62 4.10 2o1pA1 PHE 260 HB2 -0.01 0.10 0.01 -0.04 3.15 3.20 2o1pA1 PHE 260 HB3 0.05 0.09 -0.06 -0.04 3.06 3.10 2o1pA1 PHE 260 HD2 0.08 -0.02 -0.01 -0.04 7.28 7.30 2o1pA1 PHE 260 HE2 -0.94 -0.06 -0.06 -0.04 7.38 6.28 2o1pA1 PHE 260 HZ -1.43 -0.03 -0.05 -0.04 7.32 5.78 2o1pA1 ILE 261 H 0.06 0.43 -0.12 -0.55 8.25 8.08 2o1pA1 ILE 261 HA 0.08 0.03 0.45 -0.75 4.18 3.97 2o1pA1 ILE 261 HB 0.01 0.06 0.16 -0.04 1.89 2.08 2o1pA1 ILE 261 HG12 0.03 -0.04 0.01 -0.04 1.49 1.44 2o1pA1 ILE 261 HG13 0.05 0.02 0.03 -0.04 1.21 1.27 2o1pA1 ILE 261 HG23 0.03 -0.01 -0.14 -0.04 0.93 0.77 2o1pA1 ILE 261 HD13 -0.05 -0.02 -0.06 -0.04 0.88 0.71 2o1pA1 ILE 262 H -0.01 0.68 0.06 -0.55 8.25 8.43 2o1pA1 ILE 262 HA 0.08 0.00 0.34 -0.75 4.18 3.85 2o1pA1 ILE 262 HB -0.04 0.11 0.10 -0.04 1.89 2.02 2o1pA1 ILE 262 HG12 0.11 -0.03 0.01 -0.04 1.49 1.54 2o1pA1 ILE 262 HG13 0.09 -0.01 0.07 -0.04 1.21 1.32 2o1pA1 ILE 262 HG23 0.13 -0.01 -0.11 -0.04 0.93 0.89 2o1pA1 ILE 262 HD13 0.23 -0.02 -0.05 -0.04 0.88 1.00 2o1pA1 LEU 263 H -0.28 0.54 -0.21 -0.55 8.37 7.88 2o1pA1 LEU 263 HA -0.17 0.05 0.41 -0.75 4.35 3.89 2o1pA1 LEU 263 HB2 -1.16 0.14 0.10 -0.04 1.64 0.67 2o1pA1 LEU 263 HB3 -0.72 -0.05 0.01 -0.04 1.64 0.84 2o1pA1 LEU 263 HG -0.75 0.06 0.04 -0.04 1.64 0.94 2o1pA1 LEU 263 HD13 -1.05 -0.02 -0.05 -0.04 0.93 -0.23 2o1pA1 LEU 263 HD23 -0.54 -0.01 -0.06 -0.04 0.89 0.24 2o1pA1 SER 264 H -0.02 0.47 -0.14 -0.55 8.46 8.22 2o1pA1 SER 264 HA 0.52 0.01 0.52 -0.75 4.49 4.78 2o1pA1 SER 264 HB2 0.28 -0.11 0.05 -0.04 3.95 4.12 2o1pA1 SER 264 HB3 0.30 0.02 0.06 -0.04 3.93 4.27 2o1pA1 GLU 265 H 0.12 0.39 -0.30 -0.55 8.60 8.27 2o1pA1 GLU 265 HA 0.13 0.13 0.79 -0.75 4.29 4.58 2o1pA1 GLU 265 HB2 0.06 0.07 0.02 -0.04 2.09 2.20 2o1pA1 GLU 265 HB3 0.04 -0.10 0.11 -0.04 1.99 1.99 2o1pA1 GLU 265 HG2 0.07 -0.06 -0.03 -0.04 2.34 2.28 2o1pA1 GLU 265 HG3 0.09 0.05 -0.04 -0.04 2.34 2.40 2o1pA1 TRP 266 H 0.20 0.19 -0.36 -0.55 7.97 7.46 2o1pA1 TRP 266 HA -0.32 -0.05 0.37 -0.75 4.62 3.86 2o1pA1 TRP 266 HB2 -0.50 0.13 0.20 -0.04 3.23 3.02 2o1pA1 TRP 266 HB3 -1.49 0.01 0.07 -0.04 3.23 1.77 2o1pA1 TRP 266 HD1 -2.56 -0.08 -0.24 -0.04 7.22 4.29 2o1pA1 TRP 266 HE1 -0.49 0.56 -0.26 -0.04 10.20 9.96 2o1pA1 TRP 266 HE3 -0.26 0.11 -0.04 -0.04 7.59 7.35 2o1pA1 TRP 266 HZ2 -0.16 0.18 -0.05 -0.04 7.44 7.37 2o1pA1 TRP 266 HZ3 -0.14 -0.04 -0.05 -0.04 7.13 6.86 2o1pA1 TRP 266 HH2 -0.11 -0.04 -0.03 -0.04 7.19 6.97 2o1pA1 ASN 267 H -0.93 0.08 0.12 -0.55 8.53 7.25 2o1pA1 ASN 267 HA -0.15 0.18 0.55 -0.75 4.76 4.59 2o1pA1 ASN 267 HB2 -0.32 0.00 0.14 -0.04 2.88 2.66 2o1pA1 ASN 267 HB3 -0.53 -0.04 0.17 -0.04 2.79 2.35 2o1pA1 ASN 267 HD21 -0.09 -0.03 0.03 -0.04 7.03 6.90 2o1pA1 ASN 267 HD22 -0.21 -0.02 0.06 -0.04 7.74 7.53 2o1pA1 TRP 268 H -0.32 0.37 -0.49 -0.55 7.97 6.99 2o1pA1 TRP 268 HA 0.26 0.03 0.45 -0.75 4.62 4.60 2o1pA1 TRP 268 HB2 0.15 -0.04 0.06 -0.04 3.23 3.36 2o1pA1 TRP 268 HB3 0.15 0.22 0.11 -0.04 3.23 3.67 2o1pA1 TRP 268 HD1 0.21 0.02 0.04 -0.04 7.22 7.45 2o1pA1 TRP 268 HE1 0.29 0.27 0.10 -0.04 10.20 10.82 2o1pA1 TRP 268 HE3 0.24 0.08 -0.07 -0.04 7.59 7.80 2o1pA1 TRP 268 HZ2 -0.12 -0.03 0.00 -0.04 7.44 7.26 2o1pA1 TRP 268 HZ3 -0.07 0.13 -0.24 -0.04 7.13 6.91 2o1pA1 TRP 268 HH2 -0.42 -0.09 -0.10 -0.04 7.19 6.54 2o1pA1 PRO 269 HA 0.57 0.08 0.33 -0.51 4.44 4.92 2o1pA1 PRO 269 HB2 0.29 -0.03 0.13 -0.04 2.28 2.63 2o1pA1 PRO 269 HB3 0.25 0.17 0.18 -0.04 2.02 2.58 2o1pA1 PRO 269 HG2 0.16 -0.06 0.02 -0.04 2.03 2.12 2o1pA1 PRO 269 HG3 0.15 0.01 0.09 -0.04 2.03 2.24 2o1pA1 PRO 269 HD2 0.12 0.01 0.13 -0.04 3.68 3.90 2o1pA1 PRO 269 HD3 0.15 0.08 0.41 -0.04 3.65 4.26 2o1pA1 GLN 270 H 0.10 0.59 0.16 -0.55 8.47 8.78 2o1pA1 GLN 270 HA 0.16 -0.01 0.55 -0.75 4.36 4.30 2o1pA1 GLN 270 HB2 -0.15 0.01 0.12 -0.04 2.15 2.10 2o1pA1 GLN 270 HB3 -0.37 -0.09 -0.08 -0.04 2.02 1.44 2o1pA1 GLN 270 HG2 0.04 0.22 -0.23 -0.04 2.40 2.40 2o1pA1 GLN 270 HG3 -0.04 -0.07 0.02 -0.04 2.39 2.27 2o1pA1 GLN 270 HE21 -0.43 -0.05 0.01 -0.04 6.97 6.46 2o1pA1 GLN 270 HE22 -0.27 0.03 0.03 -0.04 7.69 7.44 2o1pA1 PRO 271 HA 0.22 0.22 0.25 -0.51 4.44 4.61 2o1pA1 PRO 271 HB2 -0.12 -0.05 -0.18 -0.04 2.28 1.89 2o1pA1 PRO 271 HB3 -0.20 -0.02 -0.01 -0.04 2.02 1.74 2o1pA1 PRO 271 HG2 0.21 -0.02 -0.04 -0.04 2.03 2.14 2o1pA1 PRO 271 HG3 0.48 -0.02 0.00 -0.04 2.03 2.45 2o1pA1 PRO 271 HD2 0.20 0.02 0.18 -0.04 3.68 4.04 2o1pA1 PRO 271 HD3 0.38 0.18 0.23 -0.04 3.65 4.40 2o1pA1 VAL 272 H 0.05 0.48 0.25 -0.55 8.24 8.47 2o1pA1 VAL 272 HA 0.10 0.20 0.91 -0.75 4.13 4.58 2o1pA1 VAL 272 HB -0.08 -0.13 0.18 -0.04 2.12 2.05 2o1pA1 VAL 272 HG13 -0.23 -0.01 -0.16 -0.04 0.97 0.53 2o1pA1 VAL 272 HG23 -0.60 0.05 -0.08 -0.04 0.95 0.29 2o1pA1 ILE 273 H 0.05 0.33 0.08 -0.55 8.25 8.16 2o1pA1 ILE 273 HA -0.02 0.11 0.66 -0.75 4.18 4.18 2o1pA1 ILE 273 HB 0.08 0.05 -0.05 -0.04 1.89 1.93 2o1pA1 ILE 273 HG12 -0.02 0.01 -0.28 -0.04 1.49 1.16 2o1pA1 ILE 273 HG13 0.05 -0.04 -0.69 -0.04 1.21 0.49 2o1pA1 ILE 273 HG23 0.05 -0.01 -0.25 -0.04 0.93 0.68 2o1pA1 ILE 273 HD13 0.14 0.00 -0.12 -0.04 0.88 0.87 2o1pA1 LEU 274 H -0.00 0.16 0.15 -0.55 8.37 8.12 2o1pA1 LEU 274 HA 0.00 0.17 0.62 -0.75 4.35 4.39 2o1pA1 LEU 274 HB2 -0.02 -0.03 0.02 -0.04 1.64 1.57 2o1pA1 LEU 274 HB3 -0.02 0.09 0.02 -0.04 1.64 1.68 2o1pA1 LEU 274 HG -0.02 -0.04 -0.10 -0.04 1.64 1.44 2o1pA1 LEU 274 HD13 -0.02 -0.02 -0.02 -0.04 0.93 0.82 2o1pA1 LEU 274 HD23 -0.01 0.09 -0.17 -0.04 0.89 0.76 2o1pA1 LYS 275 H 0.02 0.15 0.07 -0.55 8.42 8.11 2o1pA1 LYS 275 HA 0.02 0.15 0.44 -0.75 4.32 4.17 2o1pA1 LYS 275 HB2 0.01 0.02 0.08 -0.04 1.87 1.94 2o1pA1 LYS 275 HB3 -0.00 0.08 -0.13 -0.04 1.79 1.70 2o1pA1 LYS 275 HG2 0.01 -0.15 -0.08 -0.04 1.46 1.20 2o1pA1 LYS 275 HG3 0.03 0.18 -0.38 -0.04 1.46 1.24 2o1pA1 LYS 275 HD2 0.01 -0.01 -0.05 -0.04 1.69 1.59 2o1pA1 LYS 275 HD3 0.00 -0.06 -0.10 -0.04 1.68 1.48 2o1pA1 LYS 275 HE2 0.04 0.18 0.02 -0.04 2.99 3.19 2o1pA1 LYS 275 HE3 0.03 0.04 -0.03 -0.04 2.99 2.99 2o1pA1 PRO 276 HA 0.06 -0.02 0.41 -0.51 4.44 4.38 2o1pA1 PRO 276 HB2 0.04 0.00 0.01 -0.04 2.28 2.29 2o1pA1 PRO 276 HB3 0.04 0.04 0.06 -0.04 2.02 2.12 2o1pA1 PRO 276 HG2 0.02 0.02 0.05 -0.04 2.03 2.09 2o1pA1 PRO 276 HG3 0.03 0.07 0.06 -0.04 2.03 2.14 2o1pA1 PRO 276 HD2 0.02 0.10 0.15 -0.04 3.68 3.90 2o1pA1 PRO 276 HD3 0.03 0.16 0.10 -0.04 3.65 3.89 2o1pA1 ILE 277 H 0.09 0.05 0.18 -0.55 8.25 8.01 2o1pA1 ILE 277 HA 0.09 0.07 0.53 -0.75 4.18 4.12 2o1pA1 ILE 277 HB 0.14 -0.04 0.12 -0.04 1.89 2.07 2o1pA1 ILE 277 HG12 0.13 0.01 0.03 -0.04 1.49 1.61 2o1pA1 ILE 277 HG13 0.11 0.02 0.07 -0.04 1.21 1.36 2o1pA1 ILE 277 HG23 0.16 0.00 -0.11 -0.04 0.93 0.95 2o1pA1 ILE 277 HD13 0.29 0.01 -0.02 -0.04 0.88 1.12 2o1pA1 GLU 278 H 0.13 0.11 0.20 -0.55 8.60 8.50 2o1pA1 GLU 278 HA 0.08 0.18 0.89 -0.75 4.29 4.69 2o1pA1 GLU 278 HB2 0.04 0.07 0.06 -0.04 2.09 2.21 2o1pA1 GLU 278 HB3 0.04 0.03 0.04 -0.04 1.99 2.06 2o1pA1 GLU 278 HG2 0.07 0.20 0.02 -0.04 2.34 2.59 2o1pA1 GLU 278 HG3 0.17 -0.10 0.11 -0.04 2.34 2.48 2o1pA1 ASP 279 H 0.07 0.20 0.18 -0.55 8.40 8.30 2o1pA1 ASP 279 HA 0.42 0.14 0.60 -0.75 4.63 5.04 2o1pA1 ASP 279 HB2 0.12 0.01 -0.07 -0.04 2.71 2.72 2o1pA1 ASP 279 HB3 0.08 0.00 -0.00 -0.04 2.70 2.74 2o1pA1 GLY 280 H 0.22 0.24 -0.02 -0.55 8.43 8.32 2o1pA1 GLY 280 HA2 -0.16 0.09 0.58 -0.51 4.01 4.01 2o1pA1 GLY 280 HA3 -0.58 0.03 0.25 -0.51 4.01 3.20 2o1pA1 PRO 281 HA 0.02 0.02 0.42 -0.51 4.44 4.39 2o1pA1 PRO 281 HB2 0.05 0.01 0.02 -0.04 2.28 2.32 2o1pA1 PRO 281 HB3 0.01 0.02 0.08 -0.04 2.02 2.08 2o1pA1 PRO 281 HG2 0.00 0.07 0.01 -0.04 2.03 2.07 2o1pA1 PRO 281 HG3 -0.06 0.02 0.02 -0.04 2.03 1.98 2o1pA1 PRO 281 HD2 0.02 0.13 0.09 -0.04 3.68 3.87 2o1pA1 PRO 281 HD3 -0.34 0.10 0.15 -0.04 3.65 3.52 2o1pA1 LEU 282 H 0.04 0.07 0.17 -0.55 8.37 8.10 2o1pA1 LEU 282 HA 0.04 0.00 0.36 -0.75 4.35 4.00 2o1pA1 LEU 282 HB2 0.04 -0.01 -0.28 -0.04 1.64 1.35 2o1pA1 LEU 282 HB3 0.05 0.03 0.19 -0.04 1.64 1.87 2o1pA1 LEU 282 HG 0.03 -0.16 0.16 -0.04 1.64 1.63 2o1pA1 LEU 282 HD13 0.02 0.01 0.06 -0.04 0.93 0.98 2o1pA1 LEU 282 HD23 0.02 0.01 0.03 -0.04 0.89 0.90 2o1pA1 GLN 283 H 0.04 0.08 0.14 -0.55 8.47 8.19 2o1pA1 GLN 283 HA 0.06 0.09 0.48 -0.75 4.36 4.23 2o1pA1 VAL 284 H 0.04 -0.09 -0.26 -0.55 8.24 7.38 2o1pA1 VAL 284 HA 0.01 -0.06 0.28 -0.75 4.13 3.60 2o1pA1 VAL 284 HB -0.07 -0.05 -0.13 -0.04 2.12 1.82 2o1pA1 VAL 284 HG13 0.12 -0.05 -0.02 -0.04 0.97 0.98 2o1pA1 VAL 284 HG23 0.15 0.06 -0.38 -0.04 0.95 0.75 2o1pA1 ARG 285 H -0.06 0.11 0.02 -0.55 8.46 7.98 2o1pA1 ARG 285 HA -0.08 0.13 0.48 -0.75 4.34 4.11 2o1pA1 ARG 285 HB2 -0.08 0.05 0.16 -0.04 1.90 2.00 2o1pA1 ARG 285 HB3 -0.07 0.01 0.09 -0.04 1.80 1.79 2o1pA1 ARG 285 HG2 -0.06 0.00 0.01 -0.04 1.67 1.58 2o1pA1 ARG 285 HG3 -0.06 -0.05 -0.03 -0.04 1.67 1.49 2o1pA1 ARG 285 HD2 -0.05 -0.06 0.04 -0.04 3.22 3.10 2o1pA1 ARG 285 HD3 -0.07 0.07 0.02 -0.04 3.22 3.19 2o1pA1 VAL 286 H 0.05 0.47 -0.21 -0.55 8.24 8.00 2o1pA1 VAL 286 HA 0.03 0.30 0.82 -0.75 4.13 4.53 2o1pA1 VAL 286 HB 0.11 0.02 0.01 -0.04 2.12 2.23 2o1pA1 VAL 286 HG13 0.15 0.02 -0.09 -0.04 0.97 1.01 2o1pA1 VAL 286 HG23 0.00 -0.05 -0.03 -0.04 0.95 0.83 2o1pA1 TRP 287 H 0.29 0.39 0.10 -0.55 7.97 8.21 2o1pA1 TRP 287 HA 0.12 -0.01 0.54 -0.75 4.62 4.51 2o1pA1 TRP 287 HB2 0.05 -0.03 -0.09 -0.04 3.23 3.12 2o1pA1 TRP 287 HB3 0.07 0.01 -0.04 -0.04 3.23 3.22 2o1pA1 TRP 287 HD1 0.20 -0.06 -0.03 -0.04 7.22 7.28 2o1pA1 TRP 287 HE1 0.83 0.06 -0.02 -0.04 10.20 11.03 2o1pA1 TRP 287 HE3 0.09 -0.01 -0.19 -0.04 7.59 7.43 2o1pA1 TRP 287 HZ2 0.22 0.19 -0.01 -0.04 7.44 7.79 2o1pA1 TRP 287 HZ3 0.09 0.01 -0.07 -0.04 7.13 7.12 2o1pA1 TRP 287 HH2 0.13 0.13 -0.02 -0.04 7.19 7.40 2o1pA1 ASN 288 H -0.18 0.19 0.10 -0.55 8.53 8.09 2o1pA1 ASN 288 HA -0.33 0.20 0.47 -0.75 4.76 4.35 2o1pA1 ASN 288 HB2 -0.00 0.13 -0.26 -0.04 2.88 2.71 2o1pA1 ASN 288 HB3 -0.15 -0.12 0.09 -0.04 2.79 2.57 2o1pA1 ASN 288 HD21 -0.03 0.01 -0.04 -0.04 7.03 6.92 2o1pA1 ASN 288 HD22 -0.02 0.04 -0.07 -0.04 7.74 7.64 2o1pA1 PRO 289 HA -0.35 0.14 0.52 -0.51 4.44 4.24 2o1pA1 PRO 289 HB2 -0.17 0.07 -0.04 -0.04 2.28 2.09 2o1pA1 PRO 289 HB3 -0.38 0.21 -0.14 -0.04 2.02 1.67 2o1pA1 PRO 289 HG2 -0.19 0.03 0.00 -0.04 2.03 1.83 2o1pA1 PRO 289 HG3 -0.42 0.14 -0.00 -0.04 2.03 1.72 2o1pA1 PRO 289 HD2 -0.38 0.10 0.14 -0.04 3.68 3.50 2o1pA1 PRO 289 HD3 -1.76 0.15 -0.04 -0.04 3.65 1.96 2o1pA1 LYS 290 H -0.20 0.10 -0.22 -0.55 8.42 7.54 2o1pA1 LYS 290 HA -0.11 0.15 0.49 -0.75 4.32 4.10 2o1pA1 LYS 290 HB2 -0.11 -0.03 -0.01 -0.04 1.87 1.68 2o1pA1 LYS 290 HB3 -0.09 0.01 0.02 -0.04 1.79 1.70 2o1pA1 LYS 290 HG2 -0.06 0.03 0.01 -0.04 1.46 1.40 2o1pA1 LYS 290 HG3 -0.07 -0.01 -0.04 -0.04 1.46 1.30 2o1pA1 LYS 290 HD2 -0.04 0.01 -0.01 -0.04 1.69 1.61 2o1pA1 LYS 290 HD3 -0.04 -0.01 -0.02 -0.04 1.68 1.57 2o1pA1 LYS 290 HE2 -0.02 -0.02 -0.01 -0.04 2.99 2.90 2o1pA1 LYS 290 HE3 -0.02 0.02 -0.02 -0.04 2.99 2.93 2o1pA1 ILE 291 H -0.27 0.11 -0.56 -0.55 8.25 6.98 2o1pA1 ILE 291 HA -0.27 0.20 0.88 -0.75 4.18 4.24 2o1pA1 ILE 291 HB -0.55 0.01 0.08 -0.04 1.89 1.39 2o1pA1 ILE 291 HG12 -0.27 0.00 -0.03 -0.04 1.49 1.15 2o1pA1 ILE 291 HG13 -0.22 0.08 -0.10 -0.04 1.21 0.93 2o1pA1 ILE 291 HG23 -1.26 -0.01 -0.12 -0.04 0.93 -0.50 2o1pA1 ILE 291 HD13 -0.14 -0.03 -0.16 -0.04 0.88 0.50 2o1pA1 TYR 292 H -0.27 0.43 0.18 -0.55 8.29 8.09 2o1pA1 TYR 292 HA -0.07 0.14 0.75 -0.75 4.56 4.63 2o1pA1 TYR 292 HB2 -0.15 -0.02 0.13 -0.04 3.06 2.98 2o1pA1 TYR 292 HB3 -0.07 -0.09 0.07 -0.04 2.98 2.84 2o1pA1 TYR 292 HD2 -0.09 -0.03 0.07 -0.04 7.15 7.06 2o1pA1 TYR 292 HE2 -0.03 0.09 0.03 -0.04 6.85 6.90 2o1pA1 ALA 293 H 0.05 0.19 0.19 -0.55 8.40 8.28 2o1pA1 ALA 293 HA -0.03 0.18 0.53 -0.75 4.34 4.26 2o1pA1 ALA 293 HB3 -0.00 0.03 0.09 -0.04 1.41 1.49 2o1pA1 GLN 294 H 0.02 0.08 -0.01 -0.55 8.47 8.01 2o1pA1 GLN 294 HA -0.02 0.11 0.37 -0.75 4.36 4.07 2o1pA1 GLN 294 HB2 0.01 0.01 0.09 -0.04 2.15 2.23 2o1pA1 GLN 294 HB3 -0.01 -0.05 0.02 -0.04 2.02 1.95 2o1pA1 GLN 294 HG2 0.09 0.03 -0.19 -0.04 2.40 2.30 2o1pA1 GLN 294 HG3 0.15 0.04 0.01 -0.04 2.39 2.55 2o1pA1 GLN 294 HE21 -0.06 -0.00 -0.02 -0.04 6.97 6.85 2o1pA1 GLN 294 HE22 -0.00 0.00 -0.00 -0.04 7.69 7.64 2o1pA1 ASP 295 H -0.06 0.07 -0.66 -0.55 8.40 7.20 2o1pA1 ASP 295 HA -0.34 0.09 0.43 -0.75 4.63 4.06 2o1pA1 ASP 295 HB2 -0.27 0.23 -0.06 -0.04 2.71 2.57 2o1pA1 ASP 295 HB3 -0.88 -0.03 -0.17 -0.04 2.70 1.58 2o1pA1 ARG 296 H -0.10 0.31 -0.05 -0.55 8.46 8.07 2o1pA1 ARG 296 HA -0.03 0.07 0.58 -0.75 4.34 4.20 2o1pA1 ARG 296 HB2 -0.03 -0.01 0.01 -0.04 1.90 1.83 2o1pA1 ARG 296 HB3 -0.03 -0.02 0.12 -0.04 1.80 1.83 2o1pA1 ARG 296 HG2 -0.11 0.07 0.16 -0.04 1.67 1.74 2o1pA1 ARG 296 HG3 -0.06 -0.13 0.31 -0.04 1.67 1.75 2o1pA1 ARG 296 HD2 -0.04 -0.07 -0.02 -0.04 3.22 3.05 2o1pA1 ARG 296 HD3 -0.07 0.15 -0.02 -0.04 3.22 3.24 2o1pA1 SER 297 H -0.09 0.25 -0.29 -0.55 8.46 7.78 2o1pA1 SER 297 HA 0.01 0.15 0.55 -0.75 4.49 4.45 2o1pA1 SER 297 HB2 -0.02 -0.04 0.09 -0.04 3.95 3.93 2o1pA1 SER 297 HB3 -0.03 -0.06 0.01 -0.04 3.93 3.81 2o1pA1 HIS 298 H 0.03 0.15 -0.51 -0.55 8.41 7.54 2o1pA1 HIS 298 HA 0.02 0.06 0.51 -0.75 4.63 4.47 2o1pA1 HIS 298 HB2 0.40 0.15 0.03 -0.04 3.26 3.81 2o1pA1 HIS 298 HB3 0.16 -0.11 -0.14 -0.04 3.20 3.06 2o1pA1 HIS 298 HD2 -0.08 0.18 0.04 -0.04 6.97 7.07 2o1pA1 HIS 298 HE1 0.50 -0.11 -0.08 -0.04 7.75 8.02 2o1pA1 ARG 299 H 0.06 0.09 0.10 -0.55 8.46 8.15 2o1pA1 ARG 299 HA 0.10 0.20 0.46 -0.75 4.34 4.35 2o1pA1 ARG 299 HB2 -0.07 -0.03 -0.03 -0.04 1.90 1.72 2o1pA1 ARG 299 HB3 -0.04 -0.02 -0.11 -0.04 1.80 1.59 2o1pA1 ARG 299 HG2 0.02 0.01 -0.11 -0.04 1.67 1.55 2o1pA1 ARG 299 HG3 0.00 0.18 -0.05 -0.04 1.67 1.76 2o1pA1 ARG 299 HD2 -0.07 -0.01 -0.48 -0.04 3.22 2.62 2o1pA1 ARG 299 HD3 -0.03 -0.05 -0.24 -0.04 3.22 2.85 2o1pA1 MET 300 H -0.12 0.06 -0.07 -0.55 8.47 7.78 2o1pA1 MET 300 HA -0.05 0.28 0.76 -0.75 4.52 4.76 2o1pA1 MET 300 HB2 -0.53 -0.10 0.15 -0.04 2.15 1.64 2o1pA1 MET 300 HB3 -1.45 0.04 0.04 -0.04 2.03 0.62 2o1pA1 MET 300 HG2 -0.96 0.14 -0.11 -0.04 2.63 1.66 2o1pA1 MET 300 HG3 -0.40 -0.10 -0.25 -0.04 2.56 1.77 2o1pA1 MET 300 HE3 -1.04 0.01 -0.03 -0.04 2.10 1.00 2o1pA1 PRO 301 HA -0.17 -0.12 0.29 -0.51 4.44 3.93 2o1pA1 PRO 301 HB2 -0.16 -0.04 -0.08 -0.04 2.28 1.96 2o1pA1 PRO 301 HB3 -0.12 -0.06 -0.06 -0.04 2.02 1.73 2o1pA1 PRO 301 HG2 0.39 0.32 -0.08 -0.04 2.03 2.62 2o1pA1 PRO 301 HG3 0.34 0.00 -0.33 -0.04 2.03 2.00 2o1pA1 PRO 301 HD2 0.53 0.21 -0.25 -0.04 3.68 4.13 2o1pA1 PRO 301 HD3 0.32 0.29 -0.66 -0.04 3.65 3.56 2o1pA1 VAL 302 H -0.27 0.03 0.15 -0.55 8.24 7.61 2o1pA1 VAL 302 HA -0.11 0.23 0.89 -0.75 4.13 4.39 2o1pA1 VAL 302 HB -0.19 -0.22 0.15 -0.04 2.12 1.83 2o1pA1 VAL 302 HG13 -0.10 0.04 -0.11 -0.04 0.97 0.76 2o1pA1 VAL 302 HG23 -0.13 0.09 -0.20 -0.04 0.95 0.68 2o1pA1 ILE 303 H -0.17 0.82 0.27 -0.55 8.25 8.62 2o1pA1 ILE 303 HA -0.31 0.08 0.53 -0.75 4.18 3.73 2o1pA1 ILE 303 HB -0.16 0.04 0.05 -0.04 1.89 1.78 2o1pA1 ILE 303 HG12 -0.45 0.06 -0.20 -0.04 1.49 0.85 2o1pA1 ILE 303 HG13 -0.65 0.05 -0.17 -0.04 1.21 0.40 2o1pA1 ILE 303 HG23 -0.09 0.03 -0.22 -0.04 0.93 0.62 2o1pA1 ILE 303 HD13 -1.46 -0.04 -0.34 -0.04 0.88 -0.99 2o1pA1 THR 304 H -0.12 0.70 0.43 -0.55 8.28 8.74 2o1pA1 THR 304 HA -0.05 0.07 0.44 -0.75 4.39 4.10 2o1pA1 THR 304 HB -0.03 -0.03 0.08 -0.04 4.32 4.29 2o1pA1 THR 304 HG23 -0.06 0.00 0.02 -0.04 1.22 1.14 2o1pA1 PRO 305 HA 0.01 0.14 0.48 -0.51 4.44 4.56 2o1pA1 PRO 305 HB2 -0.00 0.05 -0.12 -0.04 2.28 2.17 2o1pA1 PRO 305 HB3 -0.01 0.00 0.02 -0.04 2.02 2.00 2o1pA1 PRO 305 HG2 -0.01 0.00 0.05 -0.04 2.03 2.04 2o1pA1 PRO 305 HG3 -0.02 0.07 -0.02 -0.04 2.03 2.02 2o1pA1 PRO 305 HD2 -0.01 -0.00 0.22 -0.04 3.68 3.84 2o1pA1 PRO 305 HD3 -0.02 0.18 0.20 -0.04 3.65 3.97 2o1pA1 ALA 306 H -0.00 0.01 -0.20 -0.55 8.40 7.67 2o1pA1 ALA 306 HA 0.04 0.07 0.35 -0.75 4.34 4.05 2o1pA1 ALA 306 HB3 -0.00 0.03 -0.18 -0.04 1.41 1.22 2o1pA1 TYR 307 H 0.16 0.09 0.10 -0.55 8.29 8.08 2o1pA1 TYR 307 HA 0.02 -0.10 0.35 -0.75 4.56 4.08 2o1pA1 TYR 307 HB2 0.00 0.02 0.07 -0.04 3.06 3.12 2o1pA1 TYR 307 HB3 -0.01 -0.02 0.05 -0.04 2.98 2.95 2o1pA1 TYR 307 HD2 0.01 0.04 -0.22 -0.04 7.15 6.93 2o1pA1 TYR 307 HE2 0.01 -0.04 -0.10 -0.04 6.85 6.68 2o1pA1 PRO 308 HA -0.64 -0.04 0.36 -0.51 4.44 3.61 2o1pA1 PRO 308 HB2 -0.29 0.26 -0.30 -0.04 2.28 1.91 2o1pA1 PRO 308 HB3 -0.94 -0.06 -0.09 -0.04 2.02 0.89 2o1pA1 PRO 308 HG2 -0.20 0.06 0.02 -0.04 2.03 1.87 2o1pA1 PRO 308 HG3 -0.31 -0.09 -0.03 -0.04 2.03 1.57 2o1pA1 PRO 308 HD2 -0.16 0.10 0.35 -0.04 3.68 3.93 2o1pA1 PRO 308 HD3 -0.26 0.03 -0.11 -0.04 3.65 3.28 2o1pA1 SER 309 H -0.01 0.06 0.06 -0.55 8.46 8.02 2o1pA1 SER 309 HA -0.01 0.18 0.42 -0.75 4.49 4.33 2o1pA1 SER 309 HB2 0.11 -0.09 0.16 -0.04 3.95 4.09 2o1pA1 SER 309 HB3 0.07 -0.05 -0.00 -0.04 3.93 3.91 2o1pA1 MET 310 H -0.03 0.21 0.31 -0.55 8.47 8.42 2o1pA1 MET 310 HA 0.11 0.13 0.74 -0.75 4.52 4.74 2o1pA1 MET 310 HB2 -0.03 0.02 0.01 -0.04 2.15 2.10 2o1pA1 MET 310 HB3 -0.02 -0.02 -0.09 -0.04 2.03 1.86 2o1pA1 MET 310 HG2 0.01 -0.08 0.01 -0.04 2.63 2.53 2o1pA1 MET 310 HG3 0.00 0.31 -0.15 -0.04 2.56 2.68 2o1pA1 MET 310 HE3 -0.03 -0.03 -0.06 -0.04 2.10 1.94 2o1pA1 CYS 311 H 0.02 0.20 0.11 -0.55 8.50 8.27 2o1pA1 CYS 311 HA -0.40 0.18 0.67 -0.75 4.58 4.27 2o1pA1 CYS 311 HB2 -0.72 0.08 -0.00 -0.04 2.97 2.29 2o1pA1 CYS 311 HB3 -0.21 0.03 0.11 -0.04 2.97 2.86 2o1pA1 ALA 312 H -0.21 0.74 0.39 -0.55 8.40 8.77 2o1pA1 ALA 312 HA -0.10 0.13 0.57 -0.75 4.34 4.19 2o1pA1 ALA 312 HB3 -0.12 -0.01 0.10 -0.04 1.41 1.34 2o1pA1 THR 313 H -0.25 0.09 -0.30 -0.55 8.28 7.27 2o1pA1 THR 313 HA -0.18 0.18 0.81 -0.75 4.39 4.44 2o1pA1 THR 313 HB -0.25 0.03 0.12 -0.04 4.32 4.18 2o1pA1 THR 313 HG23 -0.28 -0.01 -0.10 -0.04 1.22 0.79 2o1pA1 HIS 314 H -0.07 0.23 -0.37 -0.55 8.41 7.66 2o1pA1 HIS 314 HA -0.24 0.08 0.38 -0.75 4.63 4.09 2o1pA1 HIS 314 HB2 -0.06 0.01 0.05 -0.04 3.26 3.22 2o1pA1 HIS 314 HB3 -0.05 -0.01 0.02 -0.04 3.20 3.12 2o1pA1 HIS 314 HD2 0.00 0.00 -0.26 -0.04 6.97 6.67 2o1pA1 HIS 314 HE1 0.09 -0.02 -0.02 -0.04 7.75 7.75 2o1pA1 ASN 315 H -0.05 0.03 -0.27 -0.55 8.53 7.69 2o1pA1 ASN 315 HA -0.09 0.12 0.30 -0.75 4.76 4.34 2o1pA1 ASN 315 HB2 -0.07 0.01 0.07 -0.04 2.88 2.85 2o1pA1 ASN 315 HB3 -0.08 -0.03 0.03 -0.04 2.79 2.67 2o1pA1 ASN 315 HD21 -0.05 -0.08 -0.01 -0.04 7.03 6.84 2o1pA1 ASN 315 HD22 -0.06 0.53 0.04 -0.04 7.74 8.21 2o1pA1 ILE 316 H -0.17 0.12 -0.39 -0.55 8.25 7.25 2o1pA1 ILE 316 HA -0.24 0.17 0.50 -0.75 4.18 3.85 2o1pA1 ILE 316 HB -0.18 -0.06 0.08 -0.04 1.89 1.68 2o1pA1 ILE 316 HG12 -0.25 0.28 -0.16 -0.04 1.49 1.31 2o1pA1 ILE 316 HG13 -0.22 -0.11 -0.09 -0.04 1.21 0.75 2o1pA1 ILE 316 HG23 -0.24 0.01 -0.08 -0.04 0.93 0.58 2o1pA1 ILE 316 HD13 -0.31 -0.00 -0.03 -0.04 0.88 0.50 2o1pA1 THR 317 H -0.22 0.05 0.27 -0.55 8.28 7.83 2o1pA1 THR 317 HA -0.10 0.31 0.88 -0.75 4.39 4.72 2o1pA1 THR 317 HB -0.09 -0.08 0.21 -0.04 4.32 4.32 2o1pA1 THR 317 HG23 -0.11 0.07 0.02 -0.04 1.22 1.17 2o1pA1 GLU 318 H -0.07 0.21 0.16 -0.55 8.60 8.36 2o1pA1 GLU 318 HA -0.05 0.15 0.50 -0.75 4.29 4.14 2o1pA1 GLU 318 HB2 -0.05 -0.06 0.17 -0.04 2.09 2.11 2o1pA1 GLU 318 HB3 -0.04 0.08 -0.01 -0.04 1.99 1.98 2o1pA1 GLU 318 HG2 -0.01 0.04 0.05 -0.04 2.34 2.37 2o1pA1 GLU 318 HG3 -0.02 -0.01 0.07 -0.04 2.34 2.33 2o1pA1 SER 319 H -0.08 0.10 0.00 -0.55 8.46 7.94 2o1pA1 SER 319 HA -0.07 0.12 0.35 -0.75 4.49 4.14 2o1pA1 SER 319 HB2 -0.08 0.10 0.15 -0.04 3.95 4.08 2o1pA1 SER 319 HB3 -0.06 -0.02 -0.05 -0.04 3.93 3.76 2o1pA1 THR 320 H -0.19 0.01 -0.20 -0.55 8.28 7.35 2o1pA1 THR 320 HA -0.25 0.10 0.52 -0.75 4.39 4.00 2o1pA1 THR 320 HB -0.99 0.06 0.06 -0.04 4.32 3.40 2o1pA1 THR 320 HG23 -0.55 0.02 0.10 -0.04 1.22 0.75 2o1pA1 LYS 321 H -0.16 0.55 -0.16 -0.55 8.42 8.09 2o1pA1 LYS 321 HA -0.19 0.00 0.45 -0.75 4.32 3.82 2o1pA1 LYS 321 HB2 -0.14 0.08 0.11 -0.04 1.87 1.88 2o1pA1 LYS 321 HB3 -0.08 0.13 0.17 -0.04 1.79 1.97 2o1pA1 LYS 321 HG2 -0.07 -0.03 -0.17 -0.04 1.46 1.15 2o1pA1 LYS 321 HG3 -0.24 -0.03 -0.02 -0.04 1.46 1.12 2o1pA1 LYS 321 HD2 -0.04 -0.01 -0.10 -0.04 1.69 1.49 2o1pA1 LYS 321 HD3 -0.00 -0.02 -0.04 -0.04 1.68 1.58 2o1pA1 LYS 321 HE2 0.10 -0.03 -0.06 -0.04 2.99 2.97 2o1pA1 LYS 321 HE3 0.06 0.04 -0.08 -0.04 2.99 2.98 2o1pA1 LYS 322 H -0.07 0.45 -0.22 -0.55 8.42 8.03 2o1pA1 LYS 322 HA 0.01 0.03 0.34 -0.75 4.32 3.94 2o1pA1 LYS 322 HB2 -0.03 0.13 0.16 -0.04 1.87 2.09 2o1pA1 LYS 322 HB3 0.00 -0.06 -0.01 -0.04 1.79 1.68 2o1pA1 LYS 322 HG2 0.02 -0.03 0.04 -0.04 1.46 1.45 2o1pA1 LYS 322 HG3 -0.01 0.10 0.05 -0.04 1.46 1.55 2o1pA1 LYS 322 HD2 -0.00 -0.02 0.02 -0.04 1.69 1.65 2o1pA1 LYS 322 HD3 0.02 -0.05 0.02 -0.04 1.68 1.62 2o1pA1 LYS 322 HE2 0.01 -0.04 0.01 -0.04 2.99 2.93 2o1pA1 LYS 322 HE3 -0.01 -0.04 -0.05 -0.04 2.99 2.85 2o1pA1 VAL 323 H -0.06 0.35 -0.19 -0.55 8.24 7.79 2o1pA1 VAL 323 HA -0.01 -0.01 0.47 -0.75 4.13 3.83 2o1pA1 VAL 323 HB 0.11 0.08 0.20 -0.04 2.12 2.47 2o1pA1 VAL 323 HG13 0.03 -0.00 -0.08 -0.04 0.97 0.87 2o1pA1 VAL 323 HG23 -0.52 0.05 0.03 -0.04 0.95 0.47 2o1pA1 ILE 324 H 0.01 0.74 0.05 -0.55 8.25 8.50 2o1pA1 ILE 324 HA -0.03 -0.01 0.40 -0.75 4.18 3.78 2o1pA1 ILE 324 HB -0.16 0.13 0.19 -0.04 1.89 2.00 2o1pA1 ILE 324 HG12 0.20 -0.04 0.09 -0.04 1.49 1.71 2o1pA1 ILE 324 HG13 0.20 0.07 0.13 -0.04 1.21 1.57 2o1pA1 ILE 324 HG23 -0.43 -0.02 -0.09 -0.04 0.93 0.36 2o1pA1 ILE 324 HD13 -0.12 -0.03 -0.00 -0.04 0.88 0.68 2o1pA1 LEU 325 H -0.04 0.56 -0.20 -0.55 8.37 8.15 2o1pA1 LEU 325 HA 0.19 0.01 0.52 -0.75 4.35 4.32 2o1pA1 LEU 325 HB2 0.09 0.06 0.15 -0.04 1.64 1.90 2o1pA1 LEU 325 HB3 0.20 -0.03 0.07 -0.04 1.64 1.84 2o1pA1 LEU 325 HG 0.02 0.15 0.09 -0.04 1.64 1.87 2o1pA1 LEU 325 HD13 0.16 -0.02 -0.02 -0.04 0.93 1.01 2o1pA1 LEU 325 HD23 0.46 0.01 0.04 -0.04 0.89 1.36 2o1pA1 GLN 326 H 0.06 0.64 0.05 -0.55 8.47 8.67 2o1pA1 GLN 326 HA 0.10 -0.04 0.48 -0.75 4.36 4.15 2o1pA1 GLN 326 HB2 0.06 0.19 0.20 -0.04 2.15 2.57 2o1pA1 GLN 326 HB3 0.07 -0.10 0.03 -0.04 2.02 1.98 2o1pA1 GLN 326 HG2 0.06 -0.10 0.08 -0.04 2.40 2.40 2o1pA1 GLN 326 HG3 0.05 0.36 0.16 -0.04 2.39 2.92 2o1pA1 GLN 326 HE21 0.09 -0.06 -0.07 -0.04 6.97 6.90 2o1pA1 GLN 326 HE22 0.05 0.01 -0.11 -0.04 7.69 7.61 2o1pA1 GLU 327 H 0.08 0.58 -0.28 -0.55 8.60 8.43 2o1pA1 GLU 327 HA 0.19 -0.04 0.46 -0.75 4.29 4.15 2o1pA1 GLU 327 HB2 0.11 0.18 0.11 -0.04 2.09 2.45 2o1pA1 GLU 327 HB3 0.30 -0.06 -0.01 -0.04 1.99 2.19 2o1pA1 GLU 327 HG2 0.03 0.13 0.01 -0.04 2.34 2.48 2o1pA1 GLU 327 HG3 -0.10 0.03 -0.04 -0.04 2.34 2.19 2o1pA1 PHE 328 H 0.22 0.55 0.05 -0.55 8.34 8.61 2o1pA1 PHE 328 HA 0.48 -0.01 0.63 -0.75 4.62 4.96 2o1pA1 PHE 328 HB2 0.29 0.12 0.26 -0.04 3.15 3.77 2o1pA1 PHE 328 HB3 0.30 0.01 0.08 -0.04 3.06 3.42 2o1pA1 PHE 328 HD2 0.54 0.02 -0.11 -0.04 7.28 7.69 2o1pA1 PHE 328 HE2 0.62 -0.01 -0.09 -0.04 7.38 7.86 2o1pA1 PHE 328 HZ 0.43 -0.06 -0.07 -0.04 7.32 7.58 2o1pA1 VAL 329 H 0.28 0.74 -0.04 -0.55 8.24 8.67 2o1pA1 VAL 329 HA 0.15 -0.00 0.37 -0.75 4.13 3.90 2o1pA1 VAL 329 HB 0.13 0.15 0.20 -0.04 2.12 2.56 2o1pA1 VAL 329 HG13 0.07 -0.03 -0.08 -0.04 0.97 0.89 2o1pA1 VAL 329 HG23 0.16 0.04 0.04 -0.04 0.95 1.16 2o1pA1 ARG 330 H 0.12 0.75 0.07 -0.55 8.46 8.83 2o1pA1 ARG 330 HA 0.02 -0.07 0.45 -0.75 4.34 3.99 2o1pA1 ARG 330 HB2 0.08 0.06 0.14 -0.04 1.90 2.14 2o1pA1 ARG 330 HB3 0.12 0.16 0.10 -0.04 1.80 2.13 2o1pA1 ARG 330 HG2 0.02 -0.05 -0.07 -0.04 1.67 1.52 2o1pA1 ARG 330 HG3 0.03 -0.09 0.06 -0.04 1.67 1.63 2o1pA1 ARG 330 HD2 0.04 -0.06 -0.02 -0.04 3.22 3.14 2o1pA1 ARG 330 HD3 0.07 0.01 -0.01 -0.04 3.22 3.25 2o1pA1 GLY 331 H -0.02 0.51 -0.55 -0.55 8.43 7.82 2o1pA1 GLY 331 HA2 -0.70 -0.07 0.35 -0.51 4.01 3.08 2o1pA1 GLY 331 HA3 -1.46 0.11 0.33 -0.51 4.01 2.47 2o1pA1 VAL 332 H -0.04 0.45 -0.16 -0.55 8.24 7.94 2o1pA1 VAL 332 HA 0.04 -0.01 0.42 -0.75 4.13 3.83 2o1pA1 VAL 332 HB 0.05 0.14 0.20 -0.04 2.12 2.47 2o1pA1 VAL 332 HG13 0.02 -0.04 -0.15 -0.04 0.97 0.77 2o1pA1 VAL 332 HG23 0.15 0.05 -0.22 -0.04 0.95 0.89 2o1pA1 GLN 333 H -0.02 0.61 -0.00 -0.55 8.47 8.51 2o1pA1 GLN 333 HA -0.02 -0.01 0.35 -0.75 4.36 3.93 2o1pA1 GLN 333 HB2 -0.02 0.08 0.20 -0.04 2.15 2.37 2o1pA1 GLN 333 HB3 -0.02 -0.06 0.01 -0.04 2.02 1.92 2o1pA1 GLN 333 HG2 0.00 -0.05 0.01 -0.04 2.40 2.32 2o1pA1 GLN 333 HG3 0.01 0.03 0.04 -0.04 2.39 2.43 2o1pA1 GLN 333 HE21 0.02 -0.00 -0.03 -0.04 6.97 6.92 2o1pA1 GLN 333 HE22 0.02 -0.03 -0.02 -0.04 7.69 7.61 2o1pA1 ILE 334 H -0.07 0.58 0.01 -0.55 8.25 8.21 2o1pA1 ILE 334 HA -0.08 -0.05 0.23 -0.75 4.18 3.53 2o1pA1 ILE 334 HB -0.13 0.20 0.05 -0.04 1.89 1.97 2o1pA1 ILE 334 HG12 -0.05 -0.10 -0.03 -0.04 1.49 1.27 2o1pA1 ILE 334 HG13 -0.05 0.03 0.06 -0.04 1.21 1.22 2o1pA1 ILE 334 HG23 -0.13 -0.03 -0.25 -0.04 0.93 0.48 2o1pA1 ILE 334 HD13 -0.02 0.01 -0.18 -0.04 0.88 0.65 2o1pA1 THR 335 H -0.12 0.51 -0.38 -0.55 8.28 7.75 2o1pA1 THR 335 HA -0.13 -0.05 0.43 -0.75 4.39 3.89 2o1pA1 THR 335 HB 0.04 -0.14 0.01 -0.04 4.32 4.19 2o1pA1 THR 335 HG23 0.12 0.01 -0.01 -0.04 1.22 1.29 2o1pA1 ASN 336 H -0.07 0.72 0.02 -0.55 8.53 8.66 2o1pA1 ASN 336 HA -0.11 -0.05 0.51 -0.75 4.76 4.36 2o1pA1 ASN 336 HB2 -0.04 0.23 0.22 -0.04 2.88 3.24 2o1pA1 ASN 336 HB3 -0.04 -0.10 0.02 -0.04 2.79 2.63 2o1pA1 ASN 336 HD21 -0.04 -0.05 -0.02 -0.04 7.03 6.88 2o1pA1 ASN 336 HD22 -0.03 -0.02 -0.05 -0.04 7.74 7.60 2o1pA1 ASP 337 H -0.05 0.58 -0.31 -0.55 8.40 8.07 2o1pA1 ASP 337 HA -0.03 0.01 0.40 -0.75 4.63 4.26 2o1pA1 ASP 337 HB2 -0.07 0.20 0.05 -0.04 2.71 2.84 2o1pA1 ASP 337 HB3 -0.06 -0.12 -0.17 -0.04 2.70 2.31 2o1pA1 ILE 338 H -0.12 0.59 -0.05 -0.55 8.25 8.13 2o1pA1 ILE 338 HA -0.24 0.32 0.49 -0.75 4.18 3.99 2o1pA1 ILE 338 HB -0.28 0.17 0.17 -0.04 1.89 1.91 2o1pA1 ILE 338 HG12 -0.58 -0.14 -0.43 -0.04 1.49 0.29 2o1pA1 ILE 338 HG13 -0.31 0.16 -0.15 -0.04 1.21 0.87 2o1pA1 ILE 338 HG23 -1.05 -0.03 -0.09 -0.04 0.93 -0.28 2o1pA1 ILE 338 HD13 -0.84 -0.02 -0.22 -0.04 0.88 -0.24 2o1pA1 PHE 339 H 0.27 0.57 -0.20 -0.55 8.34 8.42 2o1pA1 PHE 339 HA -0.09 -0.03 0.40 -0.75 4.62 4.15 2o1pA1 PHE 339 HB2 -0.07 0.19 0.15 -0.04 3.15 3.38 2o1pA1 PHE 339 HB3 -0.04 -0.06 0.03 -0.04 3.06 2.94 2o1pA1 PHE 339 HD2 -0.09 0.18 0.05 -0.04 7.28 7.37 2o1pA1 PHE 339 HE2 0.01 -0.04 -0.04 -0.04 7.38 7.27 2o1pA1 PHE 339 HZ 0.09 -0.07 -0.41 -0.04 7.32 6.89 2o1pA1 SER 340 H 0.04 0.38 -0.27 -0.55 8.46 8.06 2o1pA1 SER 340 HA 0.02 0.08 0.76 -0.75 4.49 4.59 2o1pA1 SER 340 HB2 -0.01 -0.06 0.09 -0.04 3.95 3.93 2o1pA1 SER 340 HB3 0.00 -0.06 0.17 -0.04 3.93 4.00 2o1pA1 ASN 341 H -0.06 0.43 -0.51 -0.55 8.53 7.84 2o1pA1 ASN 341 HA -0.10 0.11 0.37 -0.75 4.76 4.39 2o1pA1 ASN 341 HB2 -0.06 -0.07 0.08 -0.04 2.88 2.79 2o1pA1 ASN 341 HB3 -0.04 -0.01 -0.40 -0.04 2.79 2.30 2o1pA1 ASN 341 HD21 -0.02 -0.11 -0.05 -0.04 7.03 6.81 2o1pA1 ASN 341 HD22 -0.03 0.46 0.14 -0.04 7.74 8.27 2o1pA1 LYS 342 H -0.05 0.34 -0.40 -0.55 8.42 7.76 2o1pA1 LYS 342 HA -0.04 0.06 0.40 -0.75 4.32 3.99 2o1pA1 LYS 342 HB2 -0.04 0.02 0.05 -0.04 1.87 1.86 2o1pA1 LYS 342 HB3 -0.04 -0.05 -0.07 -0.04 1.79 1.59 2o1pA1 LYS 342 HG2 -0.02 -0.03 0.02 -0.04 1.46 1.38 2o1pA1 LYS 342 HG3 -0.02 0.10 -0.04 -0.04 1.46 1.46 2o1pA1 LYS 342 HD2 -0.02 0.01 -0.01 -0.04 1.69 1.63 2o1pA1 LYS 342 HD3 -0.02 -0.03 -0.03 -0.04 1.68 1.56 2o1pA1 LYS 342 HE2 -0.01 -0.02 -0.02 -0.04 2.99 2.90 2o1pA1 LYS 342 HE3 -0.01 -0.02 -0.01 -0.04 2.99 2.91 2o1pA1 LYS 343 H -0.10 0.27 -0.43 -0.55 8.42 7.60 2o1pA1 LYS 343 HA -0.07 0.14 0.54 -0.75 4.32 4.18 2o1pA1 LYS 343 HB2 -0.10 -0.05 -0.17 -0.04 1.87 1.51 2o1pA1 LYS 343 HB3 -0.12 0.02 0.00 -0.04 1.79 1.66 2o1pA1 LYS 343 HG2 -0.05 -0.04 0.08 -0.04 1.46 1.40 2o1pA1 LYS 343 HG3 -0.05 0.19 -0.20 -0.04 1.46 1.35 2o1pA1 LYS 343 HD2 -0.06 -0.03 -0.10 -0.04 1.69 1.46 2o1pA1 LYS 343 HD3 -0.06 -0.01 -0.04 -0.04 1.68 1.53 2o1pA1 LYS 343 HE2 -0.03 -0.00 -0.02 -0.04 2.99 2.90 2o1pA1 LYS 343 HE3 -0.03 0.02 -0.06 -0.04 2.99 2.88 2o1pA1 SER 344 H -0.09 0.12 0.11 -0.55 8.46 8.05 2o1pA1 SER 344 HA -0.31 0.31 0.99 -0.75 4.49 4.73 2o1pA1 SER 344 HB2 -0.01 -0.01 0.14 -0.04 3.95 4.02 2o1pA1 SER 344 HB3 -0.05 0.10 -0.06 -0.04 3.93 3.89 2o1pA1 TRP 345 H 0.00 0.18 0.13 -0.55 7.97 7.74 2o1pA1 TRP 345 HA -0.14 0.12 0.30 -0.75 4.62 4.14 2o1pA1 TRP 345 HB2 0.07 -0.01 0.11 -0.04 3.23 3.36 2o1pA1 TRP 345 HB3 0.09 0.08 0.01 -0.04 3.23 3.37 2o1pA1 TRP 345 HD1 0.01 0.01 -0.09 -0.04 7.22 7.11 2o1pA1 TRP 345 HE1 -0.05 0.05 0.04 -0.04 10.20 10.20 2o1pA1 TRP 345 HE3 -0.19 0.02 -0.00 -0.04 7.59 7.38 2o1pA1 TRP 345 HZ2 -0.09 -0.07 -0.08 -0.04 7.44 7.17 2o1pA1 TRP 345 HZ3 0.01 0.06 -0.03 -0.04 7.13 7.14 2o1pA1 TRP 345 HH2 0.10 0.01 0.02 -0.04 7.19 7.28 2o1pA1 ALA 346 H 0.21 0.06 -0.14 -0.55 8.40 7.98 2o1pA1 ALA 346 HA 0.30 0.11 0.32 -0.75 4.34 4.32 2o1pA1 ALA 346 HB3 0.11 0.02 -0.00 -0.04 1.41 1.50 2o1pA1 ASN 347 H 0.01 0.18 -0.41 -0.55 8.53 7.76 2o1pA1 ASN 347 HA 0.02 0.06 0.32 -0.75 4.76 4.41 2o1pA1 ASN 347 HB2 -0.07 0.13 0.08 -0.04 2.88 2.98 2o1pA1 ASN 347 HB3 -0.03 0.04 0.01 -0.04 2.79 2.76 2o1pA1 ASN 347 HD21 0.00 0.01 -0.04 -0.04 7.03 6.96 2o1pA1 ASN 347 HD22 0.01 0.07 -0.06 -0.04 7.74 7.72 2o1pA1 LEU 348 H -0.11 0.22 -0.16 -0.55 8.37 7.77 2o1pA1 LEU 348 HA -0.03 0.05 0.43 -0.75 4.35 4.04 2o1pA1 LEU 348 HB2 -0.18 -0.09 0.05 -0.04 1.64 1.37 2o1pA1 LEU 348 HB3 -0.65 0.13 0.06 -0.04 1.64 1.15 2o1pA1 LEU 348 HG -0.10 0.04 -0.11 -0.04 1.64 1.42 2o1pA1 LEU 348 HD13 -0.29 0.00 0.01 -0.04 0.93 0.61 2o1pA1 LEU 348 HD23 -0.01 -0.03 -0.06 -0.04 0.89 0.76 2o1pA1 PHE 349 H 0.02 0.26 -0.50 -0.55 8.34 7.57 2o1pA1 PHE 349 HA 0.17 0.17 0.46 -0.75 4.62 4.66 2o1pA1 PHE 349 HB2 0.10 -0.00 0.00 -0.04 3.15 3.21 2o1pA1 PHE 349 HB3 0.07 -0.03 0.06 -0.04 3.06 3.12 2o1pA1 PHE 349 HD2 0.18 0.00 -0.21 -0.04 7.28 7.21 2o1pA1 PHE 349 HE2 0.11 0.01 -0.07 -0.04 7.38 7.38 2o1pA1 PHE 349 HZ -0.03 -0.08 -0.04 -0.04 7.32 7.13 2o1pA1 GLU 350 H 0.12 0.25 -0.39 -0.55 8.60 8.03 2o1pA1 GLU 350 HA 0.09 -0.06 0.48 -0.75 4.29 4.05 2o1pA1 GLU 350 HB2 0.05 0.10 0.04 -0.04 2.09 2.24 2o1pA1 GLU 350 HB3 0.04 0.08 -0.05 -0.04 1.99 2.02 2o1pA1 GLU 350 HG2 0.04 -0.07 0.01 -0.04 2.34 2.29 2o1pA1 GLU 350 HG3 0.06 0.05 -0.02 -0.04 2.34 2.40 2o1pA1 LYS 351 H 0.05 -0.01 0.17 -0.55 8.42 8.08 2o1pA1 LYS 351 HA 0.04 0.15 0.54 -0.75 4.32 4.29 2o1pA1 LYS 351 HB2 0.05 -0.08 0.20 -0.04 1.87 2.00 2o1pA1 LYS 351 HB3 0.06 -0.02 0.10 -0.04 1.79 1.89 2o1pA1 LYS 351 HG2 0.09 0.09 0.16 -0.04 1.46 1.77 2o1pA1 LYS 351 HG3 0.06 -0.02 0.13 -0.04 1.46 1.59 2o1pA1 LYS 351 HD2 0.12 -0.03 0.05 -0.04 1.69 1.78 2o1pA1 LYS 351 HD3 0.08 -0.08 0.05 -0.04 1.68 1.69 2o1pA1 LYS 351 HE2 0.17 -0.14 0.03 -0.04 2.99 3.01 2o1pA1 LYS 351 HE3 0.12 0.02 0.02 -0.04 2.99 3.11 2o1pA1 ASN 352 H 0.03 0.61 0.31 -0.55 8.53 8.93 2o1pA1 ASN 352 HA 0.05 0.06 0.55 -0.75 4.76 4.66 2o1pA1 ASN 352 HB2 0.12 -0.10 0.08 -0.04 2.88 2.93 2o1pA1 ASN 352 HB3 0.03 0.14 0.18 -0.04 2.79 3.10 2o1pA1 ASN 352 HD21 0.19 -0.09 0.06 -0.04 7.03 7.15 2o1pA1 ASN 352 HD22 0.04 0.74 0.29 -0.04 7.74 8.78 2o1pA1 ASP 353 H 0.09 0.17 0.04 -0.55 8.40 8.15 2o1pA1 ASP 353 HA 0.24 0.23 0.82 -0.75 4.63 5.17 2o1pA1 ASP 353 HB2 0.12 -0.03 0.13 -0.04 2.71 2.88 2o1pA1 ASP 353 HB3 0.01 0.12 -0.06 -0.04 2.70 2.73 2o1pA1 PHE 354 H 0.19 0.26 -0.23 -0.55 8.34 8.00 2o1pA1 PHE 354 HA -0.14 0.06 0.23 -0.75 4.62 4.02 2o1pA1 PHE 354 HB2 -0.13 0.08 0.06 -0.04 3.15 3.12 2o1pA1 PHE 354 HB3 -0.72 0.02 0.06 -0.04 3.06 2.38 2o1pA1 PHE 354 HD2 -1.89 0.03 -0.12 -0.04 7.28 5.25 2o1pA1 PHE 354 HE2 -0.69 0.05 -0.12 -0.04 7.38 6.58 2o1pA1 PHE 354 HZ -0.01 -0.08 -0.15 -0.04 7.32 7.04 2o1pA1 PHE 355 H -0.00 0.13 -0.27 -0.55 8.34 7.65 2o1pA1 PHE 355 HA -0.70 0.15 0.55 -0.75 4.62 3.87 2o1pA1 PHE 355 HB2 -0.69 0.01 -0.01 -0.04 3.15 2.43 2o1pA1 PHE 355 HB3 -0.91 0.05 0.10 -0.04 3.06 2.25 2o1pA1 PHE 355 HD2 -0.81 0.01 -0.03 -0.04 7.28 6.40 2o1pA1 PHE 355 HE2 -1.04 -0.01 -0.05 -0.04 7.38 6.24 2o1pA1 PHE 355 HZ -0.44 -0.00 -0.04 -0.04 7.32 6.80 2o1pA1 PHE 356 H 0.08 0.46 -0.41 -0.55 8.34 7.92 2o1pA1 PHE 356 HA 0.04 0.23 0.93 -0.75 4.62 5.07 2o1pA1 PHE 356 HB2 -0.02 0.07 0.06 -0.04 3.15 3.22 2o1pA1 PHE 356 HB3 -0.01 -0.03 0.05 -0.04 3.06 3.03 2o1pA1 PHE 356 HD2 0.04 -0.03 -0.09 -0.04 7.28 7.16 2o1pA1 PHE 356 HE2 0.05 0.08 -0.13 -0.04 7.38 7.34 2o1pA1 PHE 356 HZ 0.15 -0.12 -0.10 -0.04 7.32 7.21 2o1pA1 ARG 357 H -0.12 0.21 0.03 -0.55 8.46 8.03 2o1pA1 ARG 357 HA -0.12 0.09 0.19 -0.75 4.34 3.74 2o1pA1 ARG 357 HB2 -0.44 -0.02 0.09 -0.04 1.90 1.49 2o1pA1 ARG 357 HB3 -0.18 -0.02 0.02 -0.04 1.80 1.59 2o1pA1 ARG 357 HG2 -0.37 0.07 0.06 -0.04 1.67 1.38 2o1pA1 ARG 357 HG3 -1.46 0.02 -0.11 -0.04 1.67 0.08 2o1pA1 ARG 357 HD2 -0.09 -0.07 -0.11 -0.04 3.22 2.91 2o1pA1 ARG 357 HD3 -0.09 0.00 -0.05 -0.04 3.22 3.04 2o1pA1 TYR 358 H -0.05 0.20 -0.37 -0.55 8.29 7.51 2o1pA1 TYR 358 HA -0.15 0.16 1.07 -0.75 4.56 4.88 2o1pA1 TYR 358 HB2 -1.29 0.02 0.04 -0.04 3.06 1.79 2o1pA1 TYR 358 HB3 -0.52 0.12 0.15 -0.04 2.98 2.69 2o1pA1 TYR 358 HD2 -0.48 0.05 -0.01 -0.04 7.15 6.67 2o1pA1 TYR 358 HE2 -0.15 0.00 -0.09 -0.04 6.85 6.58 2o1pA1 LYS 359 H -0.01 0.16 0.21 -0.55 8.42 8.23 2o1pA1 LYS 359 HA -0.23 0.07 0.56 -0.75 4.32 3.97 2o1pA1 LYS 359 HB2 -0.78 0.00 0.13 -0.04 1.87 1.18 2o1pA1 LYS 359 HB3 -0.68 -0.05 0.14 -0.04 1.79 1.15 2o1pA1 LYS 359 HG2 -0.03 0.03 0.14 -0.04 1.46 1.55 2o1pA1 LYS 359 HG3 0.04 -0.00 0.11 -0.04 1.46 1.56 2o1pA1 LYS 359 HD2 -0.00 0.01 0.04 -0.04 1.69 1.70 2o1pA1 LYS 359 HD3 -0.10 -0.05 0.06 -0.04 1.68 1.55 2o1pA1 LYS 359 HE2 -0.08 -0.00 -0.00 -0.04 2.99 2.86 2o1pA1 LYS 359 HE3 -0.03 0.07 -0.04 -0.04 2.99 2.95 2o1pA1 PHE 360 H -0.04 0.25 0.03 -0.55 8.34 8.03 2o1pA1 PHE 360 HA -0.10 0.16 1.01 -0.75 4.62 4.94 2o1pA1 PHE 360 HB2 0.30 0.01 -0.01 -0.04 3.15 3.41 2o1pA1 PHE 360 HB3 0.18 0.03 -0.05 -0.04 3.06 3.18 2o1pA1 PHE 360 HD2 0.08 0.04 -0.07 -0.04 7.28 7.29 2o1pA1 PHE 360 HE2 0.11 0.00 -0.02 -0.04 7.38 7.43 2o1pA1 PHE 360 HZ 0.04 0.01 -0.02 -0.04 7.32 7.30 2o1pA1 TYR 361 H 0.10 0.76 0.35 -0.55 8.29 8.94 2o1pA1 TYR 361 HA 0.05 0.14 0.87 -0.75 4.56 4.87 2o1pA1 TYR 361 HB2 0.04 0.03 -0.02 -0.04 3.06 3.07 2o1pA1 TYR 361 HB3 0.19 -0.00 -0.04 -0.04 2.98 3.09 2o1pA1 TYR 361 HD2 -0.12 -0.05 -0.28 -0.04 7.15 6.65 2o1pA1 TYR 361 HE2 -0.84 0.14 -0.09 -0.04 6.85 6.02 2o1pA1 LEU 362 H 0.20 0.78 0.33 -0.55 8.37 9.14 2o1pA1 LEU 362 HA 0.20 0.23 1.12 -0.75 4.35 5.15 2o1pA1 LEU 362 HB2 0.18 -0.07 -0.02 -0.04 1.64 1.70 2o1pA1 LEU 362 HB3 0.09 0.03 0.11 -0.04 1.64 1.83 2o1pA1 LEU 362 HG 0.07 0.05 -0.35 -0.04 1.64 1.37 2o1pA1 LEU 362 HD13 0.17 0.03 -0.20 -0.04 0.93 0.89 2o1pA1 LEU 362 HD23 0.00 -0.01 -0.14 -0.04 0.89 0.71 2o1pA1 GLU 363 H 0.10 0.56 0.35 -0.55 8.60 9.06 2o1pA1 GLU 363 HA -0.20 0.19 0.65 -0.75 4.29 4.17 2o1pA1 GLU 363 HB2 0.06 0.04 -0.06 -0.04 2.09 2.10 2o1pA1 GLU 363 HB3 0.04 -0.11 0.16 -0.04 1.99 2.03 2o1pA1 GLU 363 HG2 -0.13 -0.02 -0.23 -0.04 2.34 1.92 2o1pA1 GLU 363 HG3 -0.52 0.00 -0.10 -0.04 2.34 1.68 2o1pA1 ILE 364 H -0.20 0.63 0.34 -0.55 8.25 8.48 2o1pA1 ILE 364 HA 0.04 0.25 1.04 -0.75 4.18 4.76 2o1pA1 ILE 364 HB -0.03 -0.00 0.18 -0.04 1.89 2.00 2o1pA1 ILE 364 HG12 0.00 0.01 -0.19 -0.04 1.49 1.28 2o1pA1 ILE 364 HG13 -0.02 -0.04 -0.40 -0.04 1.21 0.71 2o1pA1 ILE 364 HG23 0.07 -0.00 -0.19 -0.04 0.93 0.77 2o1pA1 ILE 364 HD13 -0.15 -0.00 -0.15 -0.04 0.88 0.53 2o1pA1 THR 365 H 0.05 0.71 0.30 -0.55 8.28 8.79 2o1pA1 THR 365 HA -0.11 0.33 1.01 -0.75 4.39 4.87 2o1pA1 THR 365 HB -0.10 -0.09 0.09 -0.04 4.32 4.17 2o1pA1 THR 365 HG23 -0.63 0.00 -0.24 -0.04 1.22 0.30 2o1pA1 ALA 366 H -0.15 0.71 0.38 -0.55 8.40 8.79 2o1pA1 ALA 366 HA -0.04 0.21 1.02 -0.75 4.34 4.78 2o1pA1 ALA 366 HB3 -0.58 -0.02 0.12 -0.04 1.41 0.88 2o1pA1 TYR 367 H 0.67 0.76 0.37 -0.55 8.29 9.54 2o1pA1 TYR 367 HA 0.34 0.38 1.09 -0.75 4.56 5.61 2o1pA1 TYR 367 HB2 0.32 -0.09 0.08 -0.04 3.06 3.33 2o1pA1 TYR 367 HB3 0.39 0.02 -0.08 -0.04 2.98 3.28 2o1pA1 TYR 367 HD2 0.14 0.01 -0.22 -0.04 7.15 7.04 2o1pA1 TYR 367 HE2 0.01 -0.03 -0.17 -0.04 6.85 6.62 2o1pA1 THR 368 H 0.45 0.46 0.33 -0.55 8.28 8.97 2o1pA1 THR 368 HA 0.28 0.37 0.86 -0.75 4.39 5.15 2o1pA1 THR 368 HB 0.38 -0.09 0.01 -0.04 4.32 4.57 2o1pA1 THR 368 HG23 0.22 -0.03 -0.33 -0.04 1.22 1.04 2o1pA1 ARG 369 H -0.22 0.69 0.23 -0.55 8.46 8.61 2o1pA1 ARG 369 HA -0.21 0.17 0.92 -0.75 4.34 4.47 2o1pA1 ARG 369 HB2 -0.48 0.03 0.42 -0.04 1.90 1.83 2o1pA1 ARG 369 HB3 -0.32 -0.07 0.15 -0.04 1.80 1.52 2o1pA1 ARG 369 HG2 -0.79 -0.02 0.05 -0.04 1.67 0.87 2o1pA1 ARG 369 HG3 -2.19 0.07 0.02 -0.04 1.67 -0.47 2o1pA1 ARG 369 HD2 -0.41 -0.10 -0.03 -0.04 3.22 2.65 2o1pA1 ARG 369 HD3 -0.32 0.10 0.08 -0.04 3.22 3.04 2o1pA1 GLY 370 H 0.08 0.58 0.09 -0.55 8.43 8.63 2o1pA1 GLY 370 HA2 -0.02 0.03 0.34 -0.51 4.01 3.84 2o1pA1 GLY 370 HA3 -0.02 -0.03 0.45 -0.51 4.01 3.91 2o1pA1 SER 371 H 0.04 0.05 0.16 -0.55 8.46 8.16 2o1pA1 SER 371 HA 0.15 0.32 0.81 -0.75 4.49 5.02 2o1pA1 SER 371 HB2 0.04 -0.03 0.19 -0.04 3.95 4.11 2o1pA1 SER 371 HB3 0.04 0.12 0.07 -0.04 3.93 4.13 2o1pA1 ASP 372 H 0.03 0.24 0.16 -0.55 8.40 8.27 2o1pA1 ASP 372 HA -0.49 0.12 0.37 -0.75 4.63 3.87 2o1pA1 ASP 372 HB2 0.06 0.05 0.13 -0.04 2.71 2.91 2o1pA1 ASP 372 HB3 0.01 0.02 0.01 -0.04 2.70 2.69 2o1pA1 GLU 373 H -0.01 0.04 -0.23 -0.55 8.60 7.86 2o1pA1 GLU 373 HA 0.01 0.14 0.50 -0.75 4.29 4.19 2o1pA1 GLU 373 HB2 0.02 0.01 0.10 -0.04 2.09 2.18 2o1pA1 GLU 373 HB3 0.03 -0.04 0.06 -0.04 1.99 2.01 2o1pA1 GLU 373 HG2 0.03 -0.00 -0.00 -0.04 2.34 2.33 2o1pA1 GLU 373 HG3 0.02 0.05 0.03 -0.04 2.34 2.39 2o1pA1 GLN 374 H 0.04 0.03 -0.17 -0.55 8.47 7.83 2o1pA1 GLN 374 HA 0.18 0.04 0.18 -0.75 4.36 4.02 2o1pA1 GLN 374 HB2 0.12 0.07 0.05 -0.04 2.15 2.36 2o1pA1 GLN 374 HB3 0.36 0.07 -0.02 -0.04 2.02 2.38 2o1pA1 GLN 374 HG2 0.14 0.05 0.02 -0.04 2.40 2.57 2o1pA1 GLN 374 HG3 0.07 -0.12 0.09 -0.04 2.39 2.39 2o1pA1 GLN 374 HE21 -0.05 0.07 0.04 -0.04 6.97 6.99 2o1pA1 GLN 374 HE22 0.11 -0.00 0.01 -0.04 7.69 7.77 2o1pA1 HIS 375 H 0.02 0.31 -0.40 -0.55 8.41 7.80 2o1pA1 HIS 375 HA 0.24 0.08 0.46 -0.75 4.63 4.65 2o1pA1 HIS 375 HB2 -0.40 0.05 -0.06 -0.04 3.26 2.81 2o1pA1 HIS 375 HB3 -0.32 0.04 -0.02 -0.04 3.20 2.85 2o1pA1 HIS 375 HD2 0.03 0.03 -0.18 -0.04 6.97 6.80 2o1pA1 HIS 375 HE1 0.09 0.33 -0.18 -0.04 7.75 7.94 2o1pA1 LEU 376 H 0.00 0.41 -0.06 -0.55 8.37 8.18 2o1pA1 LEU 376 HA -0.08 0.01 0.44 -0.75 4.35 3.97 2o1pA1 LEU 376 HB2 0.00 0.19 0.23 -0.04 1.64 2.03 2o1pA1 LEU 376 HB3 0.00 -0.01 -0.02 -0.04 1.64 1.57 2o1pA1 LEU 376 HG -0.02 -0.02 0.04 -0.04 1.64 1.60 2o1pA1 LEU 376 HD13 0.01 0.01 0.01 -0.04 0.93 0.91 2o1pA1 LEU 376 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.85 2o1pA1 LYS 377 H 0.07 0.43 -0.22 -0.55 8.42 8.14 2o1pA1 LYS 377 HA 0.05 0.02 0.33 -0.75 4.32 3.97 2o1pA1 LYS 377 HB2 0.10 0.03 0.03 -0.04 1.87 1.99 2o1pA1 LYS 377 HB3 0.20 0.07 0.03 -0.04 1.79 2.04 2o1pA1 LYS 377 HG2 0.14 -0.02 -0.04 -0.04 1.46 1.49 2o1pA1 LYS 377 HG3 0.13 0.02 0.01 -0.04 1.46 1.58 2o1pA1 LYS 377 HD2 0.06 -0.02 -0.04 -0.04 1.69 1.65 2o1pA1 LYS 377 HD3 0.06 -0.01 -0.02 -0.04 1.68 1.66 2o1pA1 LYS 377 HE2 0.06 0.03 -0.02 -0.04 2.99 3.02 2o1pA1 LYS 377 HE3 0.04 -0.02 -0.06 -0.04 2.99 2.91 2o1pA1 TRP 378 H 0.28 0.48 -0.12 -0.55 7.97 8.06 2o1pA1 TRP 378 HA -0.41 0.04 0.42 -0.75 4.62 3.92 2o1pA1 TRP 378 HB2 -0.10 -0.03 0.10 -0.04 3.23 3.16 2o1pA1 TRP 378 HB3 0.06 0.03 0.18 -0.04 3.23 3.46 2o1pA1 TRP 378 HD1 0.38 -0.05 -0.29 -0.04 7.22 7.22 2o1pA1 TRP 378 HE1 0.25 0.14 0.23 -0.04 10.20 10.77 2o1pA1 TRP 378 HE3 -1.39 -0.01 0.08 -0.04 7.59 6.23 2o1pA1 TRP 378 HZ2 0.01 0.03 -0.26 -0.04 7.44 7.18 2o1pA1 TRP 378 HZ3 -0.72 0.12 -0.03 -0.04 7.13 6.45 2o1pA1 TRP 378 HH2 -0.19 0.01 -0.16 -0.04 7.19 6.81 2o1pA1 SER 379 H -0.27 0.71 0.07 -0.55 8.46 8.43 2o1pA1 SER 379 HA -0.65 0.00 0.49 -0.75 4.49 3.57 2o1pA1 SER 379 HB2 -0.39 -0.04 0.07 -0.04 3.95 3.54 2o1pA1 SER 379 HB3 -0.93 0.02 0.07 -0.04 3.93 3.05 2o1pA1 GLY 380 H -0.19 0.59 -0.15 -0.55 8.43 8.13 2o1pA1 GLY 380 HA2 -0.15 -0.04 0.38 -0.51 4.01 3.68 2o1pA1 GLY 380 HA3 -0.12 0.12 0.29 -0.51 4.01 3.79 2o1pA1 LEU 381 H -0.22 0.35 -0.44 -0.55 8.37 7.52 2o1pA1 LEU 381 HA -0.21 0.03 0.58 -0.75 4.35 3.99 2o1pA1 LEU 381 HB2 -0.12 0.02 0.15 -0.04 1.64 1.65 2o1pA1 LEU 381 HB3 -0.30 0.17 0.24 -0.04 1.64 1.71 2o1pA1 LEU 381 HG -0.38 -0.05 -0.21 -0.04 1.64 0.96 2o1pA1 LEU 381 HD13 -0.26 -0.01 0.04 -0.04 0.93 0.66 2o1pA1 LEU 381 HD23 -0.31 -0.00 0.03 -0.04 0.89 0.56 2o1pA1 VAL 382 H -0.58 0.48 0.09 -0.55 8.24 7.67 2o1pA1 VAL 382 HA -0.38 0.02 0.33 -0.75 4.13 3.34 2o1pA1 VAL 382 HB -0.62 0.04 0.18 -0.04 2.12 1.68 2o1pA1 VAL 382 HG13 -0.13 -0.01 -0.20 -0.04 0.97 0.59 2o1pA1 VAL 382 HG23 -1.16 0.02 0.04 -0.04 0.95 -0.19 2o1pA1 GLU 383 H -0.25 0.73 -0.12 -0.55 8.60 8.42 2o1pA1 GLU 383 HA -0.01 -0.03 0.33 -0.75 4.29 3.83 2o1pA1 GLU 383 HB2 -0.09 -0.03 0.03 -0.04 2.09 1.96 2o1pA1 GLU 383 HB3 -0.17 0.12 0.07 -0.04 1.99 1.97 2o1pA1 GLU 383 HG2 -0.34 -0.00 -0.26 -0.04 2.34 1.70 2o1pA1 GLU 383 HG3 0.00 -0.03 -0.04 -0.04 2.34 2.22 2o1pA1 SER 384 H -0.20 0.43 -0.47 -0.55 8.46 7.67 2o1pA1 SER 384 HA -0.23 -0.00 0.35 -0.75 4.49 3.86 2o1pA1 SER 384 HB2 -0.18 -0.13 0.19 -0.04 3.95 3.79 2o1pA1 SER 384 HB3 -0.20 0.09 0.20 -0.04 3.93 3.99 2o1pA1 LYS 385 H -0.08 0.57 -0.57 -0.55 8.42 7.79 2o1pA1 LYS 385 HA -0.02 0.07 0.75 -0.75 4.32 4.37 2o1pA1 LYS 385 HB2 -0.12 0.19 0.09 -0.04 1.87 1.98 2o1pA1 LYS 385 HB3 0.26 -0.09 0.02 -0.04 1.79 1.94 2o1pA1 LYS 385 HG2 -0.30 -0.00 -0.09 -0.04 1.46 1.03 2o1pA1 LYS 385 HG3 -0.08 -0.08 0.01 -0.04 1.46 1.27 2o1pA1 LYS 385 HD2 -0.21 0.00 -0.38 -0.04 1.69 1.06 2o1pA1 LYS 385 HD3 -0.42 0.04 -0.14 -0.04 1.68 1.12 2o1pA1 LYS 385 HE2 -0.70 0.02 -0.07 -0.04 2.99 2.19 2o1pA1 LYS 385 HE3 -0.18 -0.04 -0.05 -0.04 2.99 2.69 2o1pA1 VAL 386 H 0.03 0.51 -0.07 -0.55 8.24 8.16 2o1pA1 VAL 386 HA -0.09 0.00 0.31 -0.75 4.13 3.60 2o1pA1 VAL 386 HB 0.22 0.12 0.12 -0.04 2.12 2.54 2o1pA1 VAL 386 HG13 0.07 -0.01 -0.14 -0.04 0.97 0.85 2o1pA1 VAL 386 HG23 0.15 0.02 0.01 -0.04 0.95 1.08 2o1pA1 ARG 387 H 0.01 0.27 -0.16 -0.55 8.46 8.03 2o1pA1 ARG 387 HA -0.01 0.05 0.41 -0.75 4.34 4.04 2o1pA1 ARG 387 HB2 -0.05 0.06 0.03 -0.04 1.90 1.90 2o1pA1 ARG 387 HB3 -0.02 0.10 0.06 -0.04 1.80 1.90 2o1pA1 ARG 387 HG2 -0.02 -0.11 0.01 -0.04 1.67 1.51 2o1pA1 ARG 387 HG3 -0.02 -0.02 -0.11 -0.04 1.67 1.47 2o1pA1 ARG 387 HD2 -0.05 0.02 0.03 -0.04 3.22 3.18 2o1pA1 ARG 387 HD3 -0.06 0.16 0.10 -0.04 3.22 3.37 2o1pA1 LEU 388 H 0.02 0.23 -0.30 -0.55 8.37 7.78 2o1pA1 LEU 388 HA 0.01 0.02 0.46 -0.75 4.35 4.09 2o1pA1 LEU 388 HB2 0.11 0.27 0.14 -0.04 1.64 2.12 2o1pA1 LEU 388 HB3 0.09 -0.03 -0.02 -0.04 1.64 1.63 2o1pA1 LEU 388 HG 0.03 0.00 0.05 -0.04 1.64 1.68 2o1pA1 LEU 388 HD13 0.04 0.00 0.01 -0.04 0.93 0.94 2o1pA1 LEU 388 HD23 0.04 -0.01 0.01 -0.04 0.89 0.89 2o1pA1 LEU 389 H -0.09 0.41 -0.17 -0.55 8.37 7.97 2o1pA1 LEU 389 HA -0.09 0.04 0.59 -0.75 4.35 4.14 2o1pA1 LEU 389 HB2 -0.99 0.00 0.06 -0.04 1.64 0.67 2o1pA1 LEU 389 HB3 -0.51 0.17 0.10 -0.04 1.64 1.35 2o1pA1 LEU 389 HG -0.21 -0.02 -0.28 -0.04 1.64 1.08 2o1pA1 LEU 389 HD13 -0.12 -0.02 -0.07 -0.04 0.93 0.68 2o1pA1 LEU 389 HD23 -0.46 -0.00 -0.11 -0.04 0.89 0.27 2o1pA1 VAL 390 H -0.09 0.55 -0.06 -0.55 8.24 8.09 2o1pA1 VAL 390 HA -0.07 -0.01 0.58 -0.75 4.13 3.87 2o1pA1 VAL 390 HB -0.05 0.23 0.30 -0.04 2.12 2.56 2o1pA1 VAL 390 HG13 -0.06 -0.01 0.00 -0.04 0.97 0.86 2o1pA1 VAL 390 HG23 -0.02 0.05 0.00 -0.04 0.95 0.94 2o1pA1 MET 391 H -0.04 0.69 0.02 -0.55 8.47 8.59 2o1pA1 MET 391 HA -0.04 -0.05 0.45 -0.75 4.52 4.12 2o1pA1 MET 391 HB2 -0.02 0.09 0.17 -0.04 2.15 2.35 2o1pA1 MET 391 HB3 -0.02 -0.02 0.02 -0.04 2.03 1.97 2o1pA1 MET 391 HG2 -0.05 -0.10 0.09 -0.04 2.63 2.54 2o1pA1 MET 391 HG3 -0.05 0.05 0.07 -0.04 2.56 2.58 2o1pA1 MET 391 HE3 -0.01 -0.01 -0.19 -0.04 2.10 1.85 2o1pA1 LYS 392 H -0.02 0.37 -0.32 -0.55 8.42 7.89 2o1pA1 LYS 392 HA -0.01 0.07 0.58 -0.75 4.32 4.21 2o1pA1 LYS 392 HB2 -0.01 0.08 0.14 -0.04 1.87 2.05 2o1pA1 LYS 392 HB3 0.01 -0.10 0.04 -0.04 1.79 1.70 2o1pA1 LYS 392 HG2 0.02 0.07 0.04 -0.04 1.46 1.54 2o1pA1 LYS 392 HG3 0.05 -0.01 0.01 -0.04 1.46 1.47 2o1pA1 LYS 392 HD2 0.03 -0.06 0.01 -0.04 1.69 1.62 2o1pA1 LYS 392 HD3 0.02 0.00 0.00 -0.04 1.68 1.66 2o1pA1 LYS 392 HE2 0.03 0.01 -0.03 -0.04 2.99 2.96 2o1pA1 LYS 392 HE3 0.05 0.01 -0.03 -0.04 2.99 2.98 2o1pA1 LEU 393 H -0.05 0.54 -0.13 -0.55 8.37 8.18 2o1pA1 LEU 393 HA -0.05 -0.02 0.57 -0.75 4.35 4.10 2o1pA1 LEU 393 HB2 -0.08 0.22 0.26 -0.04 1.64 2.01 2o1pA1 LEU 393 HB3 -0.09 -0.03 -0.03 -0.04 1.64 1.44 2o1pA1 LEU 393 HG -0.08 -0.09 -0.02 -0.04 1.64 1.41 2o1pA1 LEU 393 HD13 -0.05 0.01 -0.04 -0.04 0.93 0.81 2o1pA1 LEU 393 HD23 -0.07 -0.00 -0.10 -0.04 0.89 0.67 2o1pA1 GLU 394 H -0.06 0.80 0.03 -0.55 8.60 8.83 2o1pA1 GLU 394 HA -0.07 -0.01 0.12 -0.75 4.29 3.58 2o1pA1 GLU 394 HB2 -0.06 -0.04 0.10 -0.04 2.09 2.05 2o1pA1 GLU 394 HB3 -0.06 -0.01 0.16 -0.04 1.99 2.03 2o1pA1 GLU 394 HG2 -0.04 0.18 0.14 -0.04 2.34 2.57 2o1pA1 GLU 394 HG3 -0.04 0.05 -0.16 -0.04 2.34 2.15 2o1pA1 VAL 395 H -0.03 0.18 -0.65 -0.55 8.24 7.18 2o1pA1 VAL 395 HA -0.02 0.20 0.75 -0.75 4.13 4.31 2o1pA1 VAL 395 HB -0.02 0.00 0.03 -0.04 2.12 2.09 2o1pA1 VAL 395 HG13 -0.01 0.01 -0.01 -0.04 0.97 0.92 2o1pA1 VAL 395 HG23 -0.01 -0.02 0.08 -0.04 0.95 0.96 2o1pA1 LEU 396 H -0.03 0.35 -0.17 -0.55 8.37 7.97 2o1pA1 LEU 396 HA -0.01 -0.00 0.50 -0.75 4.35 4.08 2o1pA1 LEU 396 HB2 -0.04 0.20 0.11 -0.04 1.64 1.87 2o1pA1 LEU 396 HB3 -0.02 -0.26 0.07 -0.04 1.64 1.39 2o1pA1 LEU 396 HG -0.03 0.29 0.18 -0.04 1.64 2.05 2o1pA1 LEU 396 HD13 -0.03 -0.04 0.04 -0.04 0.93 0.86 2o1pA1 LEU 396 HD23 -0.01 -0.03 0.07 -0.04 0.89 0.88 2o1pA1 ALA 397 H -0.01 0.04 0.17 -0.55 8.40 8.06 2o1pA1 ALA 397 HA -0.00 0.20 0.42 -0.75 4.34 4.20 2o1pA1 ALA 397 HB3 0.00 -0.02 0.11 -0.04 1.41 1.47 2o1pA1 GLY 398 H 0.01 -0.01 -0.08 -0.55 8.43 7.80 2o1pA1 GLY 398 HA2 0.05 0.09 0.17 -0.51 4.01 3.81 2o1pA1 GLY 398 HA3 0.08 -0.10 0.28 -0.51 4.01 3.76 2o1pA1 ILE 399 H -0.03 0.29 -0.60 -0.55 8.25 7.36 2o1pA1 ILE 399 HA -0.23 0.04 0.70 -0.75 4.18 3.93 2o1pA1 ILE 399 HB -0.11 0.20 -0.08 -0.04 1.89 1.86 2o1pA1 ILE 399 HG12 -0.07 -0.22 -0.15 -0.04 1.49 1.02 2o1pA1 ILE 399 HG13 -0.11 0.24 -0.07 -0.04 1.21 1.23 2o1pA1 ILE 399 HG23 -0.26 -0.05 -0.30 -0.04 0.93 0.28 2o1pA1 ILE 399 HD13 -0.24 -0.03 -0.18 -0.04 0.88 0.39 2o1pA1 LYS 400 H -0.13 0.36 0.33 -0.55 8.42 8.42 2o1pA1 LYS 400 HA -0.02 0.11 0.55 -0.75 4.32 4.21 2o1pA1 LYS 400 HB2 0.01 -0.04 -0.30 -0.04 1.87 1.50 2o1pA1 LYS 400 HB3 -0.02 -0.08 -0.19 -0.04 1.79 1.45 2o1pA1 LYS 400 HG2 0.03 0.01 -0.18 -0.04 1.46 1.27 2o1pA1 LYS 400 HG3 0.02 0.02 -0.01 -0.04 1.46 1.45 2o1pA1 LYS 400 HD2 0.05 0.01 -0.08 -0.04 1.69 1.63 2o1pA1 LYS 400 HD3 0.07 -0.04 -0.09 -0.04 1.68 1.57 2o1pA1 LYS 400 HE2 0.05 -0.03 -0.01 -0.04 2.99 2.97 2o1pA1 LYS 400 HE3 0.06 0.01 -0.04 -0.04 2.99 2.97 2o1pA1 ILE 401 H -0.16 0.31 0.18 -0.55 8.25 8.04 2o1pA1 ILE 401 HA -0.08 0.14 0.43 -0.75 4.18 3.92 2o1pA1 ILE 401 HB -0.00 0.07 -0.30 -0.04 1.89 1.62 2o1pA1 ILE 401 HG12 -0.04 -0.12 -0.06 -0.04 1.49 1.23 2o1pA1 ILE 401 HG13 -0.03 0.08 0.11 -0.04 1.21 1.32 2o1pA1 ILE 401 HG23 -0.03 -0.02 -0.22 -0.04 0.93 0.62 2o1pA1 ILE 401 HD13 0.00 0.04 -0.06 -0.04 0.88 0.83 2o1pA1 ALA 402 H -0.08 0.17 0.05 -0.55 8.40 7.99 2o1pA1 ALA 402 HA -0.15 0.31 0.81 -0.75 4.34 4.56 2o1pA1 ALA 402 HB3 -0.09 -0.01 0.06 -0.04 1.41 1.33 2o1pA1 HIS 403 H -0.06 0.68 0.09 -0.55 8.41 8.58 2o1pA1 HIS 403 HA 0.08 0.16 0.48 -0.75 4.63 4.60 2o1pA1 HIS 403 HB2 0.04 -0.03 -0.07 -0.04 3.26 3.15 2o1pA1 HIS 403 HB3 -0.03 -0.09 0.14 -0.04 3.20 3.18 2o1pA1 HIS 403 HD2 0.34 0.25 -0.30 -0.04 6.97 7.22 2o1pA1 HIS 403 HE1 0.27 -0.01 -0.04 -0.04 7.75 7.93 2o1pA1 PRO 404 HA 0.11 0.15 0.78 -0.51 4.44 4.97 2o1pA1 PRO 404 HB2 0.00 0.12 0.03 -0.04 2.28 2.39 2o1pA1 PRO 404 HB3 0.07 -0.07 0.07 -0.04 2.02 2.05 2o1pA1 PRO 404 HG2 0.21 0.11 0.14 -0.04 2.03 2.45 2o1pA1 PRO 404 HG3 0.04 0.01 0.13 -0.04 2.03 2.16 2o1pA1 PRO 404 HD2 0.27 0.05 0.21 -0.04 3.68 4.18 2o1pA1 PRO 404 HD3 0.08 0.29 0.37 -0.04 3.65 4.35 2o1pA1 PHE 405 H -0.06 0.54 0.36 -0.55 8.34 8.63 2o1pA1 PHE 405 HA -0.77 0.12 0.68 -0.75 4.62 3.90 2o1pA1 PHE 405 HB2 -1.40 -0.01 0.12 -0.04 3.15 1.82 2o1pA1 PHE 405 HB3 -0.31 -0.04 0.11 -0.04 3.06 2.78 2o1pA1 PHE 405 HD2 -0.63 0.12 0.07 -0.04 7.28 6.80 2o1pA1 PHE 405 HE2 -0.06 0.04 0.02 -0.04 7.38 7.34 2o1pA1 PHE 405 HZ 0.02 0.05 0.02 -0.04 7.32 7.36 2o1pA1 THR 406 H -1.60 0.11 0.16 -0.55 8.28 6.41 2o1pA1 THR 406 HA -0.61 0.18 0.50 -0.75 4.39 3.71 2o1pA1 THR 406 HB -0.16 -0.01 0.07 -0.04 4.32 4.18 2o1pA1 THR 406 HG23 -0.39 -0.01 -0.17 -0.04 1.22 0.61 2o1pA1 LYS 407 H -0.58 0.11 -0.09 -0.55 8.42 7.31 2o1pA1 LYS 407 HA -0.08 0.20 0.96 -0.75 4.32 4.66 2o1pA1 LYS 407 HB2 -0.26 -0.07 0.07 -0.04 1.87 1.57 2o1pA1 LYS 407 HB3 -0.25 0.14 -0.01 -0.04 1.79 1.63 2o1pA1 LYS 407 HG2 -0.13 0.01 0.04 -0.04 1.46 1.34 2o1pA1 LYS 407 HG3 -0.26 -0.04 -0.27 -0.04 1.46 0.85 2o1pA1 LYS 407 HD2 -0.15 0.02 -0.00 -0.04 1.69 1.52 2o1pA1 LYS 407 HD3 -0.13 -0.01 -0.01 -0.04 1.68 1.49 2o1pA1 LYS 407 HE2 -0.17 0.03 -0.00 -0.04 2.99 2.80 2o1pA1 LYS 407 HE3 -0.16 -0.06 -0.00 -0.04 2.99 2.73 2o1pA1 PRO 408 HA 0.14 0.22 0.64 -0.51 4.44 4.93 2o1pA1 PRO 408 HB2 0.06 -0.01 -0.11 -0.04 2.28 2.18 2o1pA1 PRO 408 HB3 0.12 0.00 -0.03 -0.04 2.02 2.07 2o1pA1 PRO 408 HG2 0.01 0.00 0.02 -0.04 2.03 2.02 2o1pA1 PRO 408 HG3 0.06 0.01 0.01 -0.04 2.03 2.07 2o1pA1 PRO 408 HD2 0.00 0.09 0.24 -0.04 3.68 3.97 2o1pA1 PRO 408 HD3 0.21 0.16 0.07 -0.04 3.65 4.04 2o1pA1 PHE 409 H 0.34 0.84 0.38 -0.55 8.34 9.34 2o1pA1 PHE 409 HA 0.09 0.16 0.91 -0.75 4.62 5.03 2o1pA1 PHE 409 HB2 0.20 -0.05 0.13 -0.04 3.15 3.39 2o1pA1 PHE 409 HB3 0.12 -0.01 -0.04 -0.04 3.06 3.08 2o1pA1 PHE 409 HD2 0.19 0.01 -0.05 -0.04 7.28 7.39 2o1pA1 PHE 409 HE2 0.15 0.03 -0.04 -0.04 7.38 7.48 2o1pA1 PHE 409 HZ -0.03 0.00 -0.03 -0.04 7.32 7.23 2o1pA1 GLU 410 H 0.11 0.22 0.15 -0.55 8.60 8.53 2o1pA1 GLU 410 HA 0.12 0.43 1.20 -0.75 4.29 5.29 2o1pA1 GLU 410 HB2 0.07 -0.01 0.07 -0.04 2.09 2.17 2o1pA1 GLU 410 HB3 0.11 -0.01 -0.03 -0.04 1.99 2.02 2o1pA1 GLU 410 HG2 0.21 -0.01 -0.01 -0.04 2.34 2.48 2o1pA1 GLU 410 HG3 0.13 -0.01 -0.12 -0.04 2.34 2.30 2o1pA1 SER 411 H 0.04 0.55 0.42 -0.55 8.46 8.93 2o1pA1 SER 411 HA -0.05 0.13 0.65 -0.75 4.49 4.47 2o1pA1 SER 411 HB2 -0.16 -0.01 0.10 -0.04 3.95 3.84 2o1pA1 SER 411 HB3 0.03 0.09 -0.17 -0.04 3.93 3.84 2o1pA1 SER 412 H -0.28 0.27 0.28 -0.55 8.46 8.18 2o1pA1 SER 412 HA -0.22 0.27 0.80 -0.75 4.49 4.58 2o1pA1 SER 412 HB2 -0.54 0.05 -0.00 -0.04 3.95 3.42 2o1pA1 SER 412 HB3 -0.50 -0.00 -0.01 -0.04 3.93 3.38 2o1pA1 TYR 413 H -0.02 0.60 0.33 -0.55 8.29 8.65 2o1pA1 TYR 413 HA -0.05 0.17 1.01 -0.75 4.56 4.93 2o1pA1 TYR 413 HB2 -0.01 -0.12 -0.01 -0.04 3.06 2.88 2o1pA1 TYR 413 HB3 -0.01 0.29 0.02 -0.04 2.98 3.24 2o1pA1 TYR 413 HD2 0.00 0.09 -0.32 -0.04 7.15 6.88 2o1pA1 TYR 413 HE2 0.03 0.01 -0.15 -0.04 6.85 6.70 2o1pA1 CYS 414 H 0.05 0.31 0.14 -0.55 8.50 8.45 2o1pA1 CYS 414 HA -0.00 0.16 0.70 -0.75 4.58 4.69 2o1pA1 CYS 414 HB2 0.03 -0.03 0.07 -0.04 2.97 3.00 2o1pA1 CYS 414 HB3 0.01 -0.04 0.11 -0.04 2.97 3.00 2o1pA1 CYS 415 H 0.00 0.47 0.30 -0.55 8.50 8.73 2o1pA1 CYS 415 HA 0.04 0.15 0.07 -0.75 4.58 4.08 2o1pA1 CYS 415 HB2 -0.02 -0.01 -0.04 -0.04 2.97 2.85 2o1pA1 CYS 415 HB3 -0.01 0.27 -0.08 -0.04 2.97 3.11 2o1pA1 PRO 416 HA -0.00 0.02 0.45 -0.51 4.44 4.40 2o1pA1 PRO 416 HB2 -0.00 0.00 0.08 -0.04 2.28 2.32 2o1pA1 PRO 416 HB3 0.00 0.05 0.10 -0.04 2.02 2.13 2o1pA1 PRO 416 HG2 0.00 0.01 0.13 -0.04 2.03 2.14 2o1pA1 PRO 416 HG3 0.01 0.09 0.02 -0.04 2.03 2.10 2o1pA1 PRO 416 HD2 0.00 -0.13 0.42 -0.04 3.68 3.94 2o1pA1 PRO 416 HD3 0.01 0.26 0.08 -0.04 3.65 3.95 2o1pA1 THR 417 H 0.00 0.15 0.16 -0.55 8.28 8.04 2o1pA1 THR 417 HA -0.00 0.16 0.52 -0.75 4.39 4.31 2o1pA1 THR 417 HB 0.00 0.08 0.15 -0.04 4.32 4.51 2o1pA1 THR 417 HG23 0.01 -0.07 0.01 -0.04 1.22 1.12 2o1pA1 GLU 418 H 0.01 0.19 0.15 -0.55 8.60 8.40 2o1pA1 GLU 418 HA 0.05 0.15 0.31 -0.75 4.29 4.05 2o1pA1 GLU 418 HB2 0.05 0.09 0.16 -0.04 2.09 2.34 2o1pA1 GLU 418 HB3 0.00 0.04 0.13 -0.04 1.99 2.12 2o1pA1 GLU 418 HG2 0.01 -0.11 0.02 -0.04 2.34 2.22 2o1pA1 GLU 418 HG3 0.02 0.04 -0.14 -0.04 2.34 2.22 2o1pA1 ASP 419 H 0.02 -0.01 -0.59 -0.55 8.40 7.27 2o1pA1 ASP 419 HA 0.02 0.17 0.66 -0.75 4.63 4.73 2o1pA1 ASP 419 HB2 0.01 -0.08 0.04 -0.04 2.71 2.64 2o1pA1 ASP 419 HB3 0.00 0.08 -0.08 -0.04 2.70 2.66 2o1pA1 ASP 420 H 0.03 0.29 -0.12 -0.55 8.40 8.05 2o1pA1 ASP 420 HA -0.01 0.05 0.33 -0.75 4.63 4.25 2o1pA1 ASP 420 HB2 0.02 0.10 -0.06 -0.04 2.71 2.73 2o1pA1 ASP 420 HB3 -0.01 0.19 0.12 -0.04 2.70 2.96 2o1pA1 TYR 421 H 0.13 0.14 -0.36 -0.55 8.29 7.65 2o1pA1 TYR 421 HA -0.05 0.09 0.38 -0.75 4.56 4.23 2o1pA1 TYR 421 HB2 -0.02 0.02 -0.03 -0.04 3.06 2.98 2o1pA1 TYR 421 HB3 -0.03 0.06 -0.05 -0.04 2.98 2.92 2o1pA1 TYR 421 HD2 -0.01 -0.01 -0.07 -0.04 7.15 7.02 2o1pA1 TYR 421 HE2 0.06 0.06 -0.30 -0.04 6.85 6.63 2o1pA1 GLU 422 H -0.01 0.23 -0.38 -0.55 8.60 7.89 2o1pA1 GLU 422 HA -0.30 0.10 0.37 -0.75 4.29 3.71 2o1pA1 GLU 422 HB2 -0.04 0.10 0.02 -0.04 2.09 2.12 2o1pA1 GLU 422 HB3 -0.08 0.01 -0.05 -0.04 1.99 1.83 2o1pA1 GLU 422 HG2 -0.10 0.02 -0.05 -0.04 2.34 2.17 2o1pA1 GLU 422 HG3 0.00 0.10 0.02 -0.04 2.34 2.42 2o1pA1 MET 423 H -0.05 0.20 -0.37 -0.55 8.47 7.70 2o1pA1 MET 423 HA -0.05 0.05 0.42 -0.75 4.52 4.19 2o1pA1 MET 423 HB2 -0.03 -0.00 0.04 -0.04 2.15 2.11 2o1pA1 MET 423 HB3 -0.05 0.22 0.08 -0.04 2.03 2.24 2o1pA1 MET 423 HG2 -0.03 -0.06 -0.03 -0.04 2.63 2.47 2o1pA1 MET 423 HG3 -0.03 -0.01 -0.07 -0.04 2.56 2.42 2o1pA1 MET 423 HE3 -0.06 0.01 -0.08 -0.04 2.10 1.93 2o1pA1 ILE 424 H -0.09 0.44 -0.26 -0.55 8.25 7.79 2o1pA1 ILE 424 HA -0.05 -0.03 0.42 -0.75 4.18 3.77 2o1pA1 ILE 424 HB -0.07 0.21 0.11 -0.04 1.89 2.10 2o1pA1 ILE 424 HG12 -0.33 -0.05 -0.01 -0.04 1.49 1.06 2o1pA1 ILE 424 HG13 -0.12 0.15 0.07 -0.04 1.21 1.27 2o1pA1 ILE 424 HG23 0.15 -0.02 -0.19 -0.04 0.93 0.83 2o1pA1 ILE 424 HD13 0.03 -0.01 -0.07 -0.04 0.88 0.79 2o1pA1 GLN 425 H -0.33 0.42 -0.26 -0.55 8.47 7.75 2o1pA1 GLN 425 HA -0.22 0.05 0.43 -0.75 4.36 3.87 2o1pA1 GLN 425 HB2 -0.36 0.06 0.09 -0.04 2.15 1.90 2o1pA1 GLN 425 HB3 -0.42 -0.05 0.11 -0.04 2.02 1.62 2o1pA1 GLN 425 HG2 -1.63 -0.07 -0.09 -0.04 2.40 0.57 2o1pA1 GLN 425 HG3 -0.98 0.04 -0.02 -0.04 2.39 1.39 2o1pA1 GLN 425 HE21 -1.44 -0.03 -0.29 -0.04 6.97 5.16 2o1pA1 GLN 425 HE22 -1.93 0.18 -0.25 -0.04 7.69 5.64 2o1pA1 ASP 426 H -0.02 0.15 -1.07 -0.55 8.40 6.92 2o1pA1 ASP 426 HA -0.00 0.09 0.69 -0.75 4.63 4.65 2o1pA1 ASP 426 HB2 -0.04 0.08 -0.04 -0.04 2.71 2.68 2o1pA1 ASP 426 HB3 -0.03 0.13 0.17 -0.04 2.70 2.92 2o1pA1 LYS 427 H 0.02 0.41 0.21 -0.55 8.42 8.51 2o1pA1 LYS 427 HA 0.02 0.18 0.56 -0.75 4.32 4.33 2o1pA1 LYS 427 HB2 0.01 0.02 -0.04 -0.04 1.87 1.82 2o1pA1 LYS 427 HB3 0.01 -0.14 -0.10 -0.04 1.79 1.51 2o1pA1 LYS 427 HG2 -0.00 0.01 -0.15 -0.04 1.46 1.27 2o1pA1 LYS 427 HG3 -0.01 -0.03 -0.10 -0.04 1.46 1.27 2o1pA1 LYS 427 HD2 -0.01 -0.14 -0.11 -0.04 1.69 1.39 2o1pA1 LYS 427 HD3 0.00 0.09 -0.11 -0.04 1.68 1.62 2o1pA1 LYS 427 HE2 -0.00 0.03 -0.07 -0.04 2.99 2.91 2o1pA1 LYS 427 HE3 -0.01 -0.01 -0.06 -0.04 2.99 2.87 2o1pA1 TYR 428 H 0.20 0.36 0.13 -0.55 8.29 8.43 2o1pA1 TYR 428 HA 0.06 -0.00 0.67 -0.75 4.56 4.53 2o1pA1 TYR 428 HB2 0.13 -0.04 0.10 -0.04 3.06 3.22 2o1pA1 TYR 428 HB3 0.20 0.10 0.06 -0.04 2.98 3.30 2o1pA1 TYR 428 HD2 0.15 0.00 -0.16 -0.04 7.15 7.11 2o1pA1 TYR 428 HE2 0.04 -0.01 -0.15 -0.04 6.85 6.69 2o1pA1 GLY 429 H -0.59 0.09 0.15 -0.55 8.43 7.54 2o1pA1 GLY 429 HA2 -0.61 -0.05 0.24 -0.51 4.01 3.07 2o1pA1 GLY 429 HA3 -0.28 0.13 0.19 -0.51 4.01 3.54 2o1pA1 SER 430 H -0.09 0.40 -0.18 -0.55 8.46 8.04 2o1pA1 SER 430 HA -0.04 0.27 0.82 -0.75 4.49 4.79 2o1pA1 SER 430 HB2 -0.01 0.06 0.03 -0.04 3.95 3.99 2o1pA1 SER 430 HB3 -0.01 0.20 0.06 -0.04 3.93 4.14 2o1pA1 HIS 431 H 0.07 0.55 0.11 -0.55 8.41 8.59 2o1pA1 HIS 431 HA -0.03 0.03 0.56 -0.75 4.63 4.43 2o1pA1 HIS 431 HB2 -0.03 0.21 -0.31 -0.04 3.26 3.08 2o1pA1 HIS 431 HB3 -0.00 0.01 -0.04 -0.04 3.20 3.12 2o1pA1 HIS 431 HD2 0.01 -0.01 -0.13 -0.04 6.97 6.79 2o1pA1 HIS 431 HE1 -0.01 -0.03 0.01 -0.04 7.75 7.67 2o1pA1 LYS 432 H 0.05 0.06 -0.11 -0.55 8.42 7.87 2o1pA1 LYS 432 HA 0.03 0.09 0.43 -0.75 4.32 4.12 2o1pA1 THR 433 H -0.01 0.15 -0.25 -0.55 8.28 7.62 2o1pA1 THR 433 HA -0.04 0.06 0.65 -0.75 4.39 4.31 2o1pA1 THR 433 HB -0.01 -0.02 0.02 -0.04 4.32 4.27 2o1pA1 THR 433 HG23 -0.00 -0.01 -0.08 -0.04 1.22 1.09 2o1pA1 GLU 434 H -0.07 -0.11 0.03 -0.55 8.60 7.90 2o1pA1 GLU 434 HA -0.03 0.42 0.92 -0.75 4.29 4.85 2o1pA1 GLU 434 HB2 -0.10 0.51 0.08 -0.04 2.09 2.54 2o1pA1 GLU 434 HB3 -0.16 -0.05 0.07 -0.04 1.99 1.80 2o1pA1 GLU 434 HG2 -0.00 -0.07 -0.09 -0.04 2.34 2.13 2o1pA1 GLU 434 HG3 -0.06 -0.04 0.09 -0.04 2.34 2.29 2o1pA1 THR 435 H -0.08 0.12 0.15 -0.55 8.28 7.92 2o1pA1 THR 435 HA -0.00 0.13 0.43 -0.75 4.39 4.20 2o1pA1 THR 435 HB -0.02 0.03 0.15 -0.04 4.32 4.45 2o1pA1 THR 435 HG23 -0.06 0.03 0.04 -0.04 1.22 1.18 2o1pA1 ALA 436 H -0.02 0.06 -0.56 -0.55 8.40 7.33 2o1pA1 ALA 436 HA -0.01 0.10 0.45 -0.75 4.34 4.12 2o1pA1 ALA 436 HB3 -0.01 0.03 -0.05 -0.04 1.41 1.33 2o1pA1 LEU 437 H 0.00 0.36 -0.29 -0.55 8.37 7.90 2o1pA1 LEU 437 HA -0.09 0.09 0.43 -0.75 4.35 4.03 2o1pA1 LEU 437 HB2 0.06 0.10 0.02 -0.04 1.64 1.79 2o1pA1 LEU 437 HB3 -0.18 0.02 0.01 -0.04 1.64 1.46 2o1pA1 LEU 437 HG 0.00 -0.07 -0.12 -0.04 1.64 1.42 2o1pA1 LEU 437 HD13 0.21 0.03 -0.03 -0.04 0.93 1.10 2o1pA1 LEU 437 HD23 -0.19 0.00 -0.04 -0.04 0.89 0.62 2o1pA1 ASN 438 H 0.02 0.26 -0.46 -0.55 8.53 7.81 2o1pA1 ASN 438 HA 0.08 0.13 0.49 -0.75 4.76 4.70 2o1pA1 ASN 438 HB2 0.02 0.28 0.12 -0.04 2.88 3.26 2o1pA1 ASN 438 HB3 0.03 -0.04 0.10 -0.04 2.79 2.83 2o1pA1 ASN 438 HD21 0.03 -0.03 0.03 -0.04 7.03 7.01 2o1pA1 ASN 438 HD22 0.02 0.00 0.04 -0.04 7.74 7.76 2o1pA1 ALA 439 H -0.00 0.27 -0.66 -0.55 8.40 7.46 2o1pA1 ALA 439 HA 0.01 0.08 0.67 -0.75 4.34 4.34 2o1pA1 ALA 439 HB3 -0.01 -0.00 0.08 -0.04 1.41 1.43 2o1pA1 LEU 440 H 0.01 0.68 -0.20 -0.55 8.37 8.31 2o1pA1 LEU 440 HA 0.03 0.07 0.78 -0.75 4.35 4.47 2o1pA1 LEU 440 HB2 -0.14 0.03 0.07 -0.04 1.64 1.56 2o1pA1 LEU 440 HB3 0.03 0.15 0.03 -0.04 1.64 1.81 2o1pA1 LEU 440 HG -0.06 -0.13 -0.26 -0.04 1.64 1.14 2o1pA1 LEU 440 HD13 -0.14 -0.02 0.01 -0.04 0.93 0.75 2o1pA1 LEU 440 HD23 -0.01 0.02 0.00 -0.04 0.89 0.86 2o1pA1 LYS 441 H 0.07 0.09 0.09 -0.55 8.42 8.11 2o1pA1 LYS 441 HA 0.08 0.04 0.49 -0.75 4.32 4.17 2o1pA1 LEU 442 H 0.06 0.10 0.25 -0.55 8.37 8.24 2o1pA1 LEU 442 HA -0.26 0.20 0.85 -0.75 4.35 4.39 2o1pA1 LEU 442 HB2 0.00 0.07 0.07 -0.04 1.64 1.74 2o1pA1 LEU 442 HB3 -0.03 -0.07 0.09 -0.04 1.64 1.59 2o1pA1 LEU 442 HG -0.10 -0.04 -0.01 -0.04 1.64 1.45 2o1pA1 LEU 442 HD13 -0.08 -0.00 -0.24 -0.04 0.93 0.57 2o1pA1 LEU 442 HD23 -0.63 0.04 0.11 -0.04 0.89 0.36 2o1pA1 VAL 443 H -0.24 0.60 0.33 -0.55 8.24 8.38 2o1pA1 VAL 443 HA -0.06 0.09 0.86 -0.75 4.13 4.26 2o1pA1 VAL 443 HB -0.12 -0.02 0.11 -0.04 2.12 2.05 2o1pA1 VAL 443 HG13 -0.04 0.02 -0.12 -0.04 0.97 0.79 2o1pA1 VAL 443 HG23 -0.11 0.03 -0.29 -0.04 0.95 0.54 2o1pA1 THR 444 H -0.03 0.09 -0.00 -0.55 8.28 7.79 2o1pA1 THR 444 HA -0.02 0.20 0.75 -0.75 4.39 4.56 2o1pA1 THR 444 HB -0.02 0.04 -0.09 -0.04 4.32 4.21 2o1pA1 THR 444 HG23 -0.01 0.01 -0.03 -0.04 1.22 1.15 2o1pA1 ASP 445 H -0.00 0.29 0.09 -0.55 8.40 8.22 2o1pA1 ASP 445 HA -0.00 0.00 0.35 -0.75 4.63 4.23 2o1pA1 ASP 445 HB2 0.00 -0.00 0.13 -0.04 2.71 2.80 2o1pA1 ASP 445 HB3 0.00 0.01 0.07 -0.04 2.70 2.75 2o1pA1 GLU 446 H -0.00 0.18 -0.03 -0.55 8.60 8.20 2o1pA1 GLU 446 HA -0.00 0.13 0.17 -0.75 4.29 3.84 2o1pA1 ILE 453 HA 0.00 -0.05 -2.28 -0.75 4.18 1.10 2o1pA1 ILE 453 HB 0.00 -0.04 -0.18 -0.04 1.89 1.63 2o1pA1 ILE 453 HG12 0.00 0.01 -0.03 -0.04 1.49 1.43 2o1pA1 ILE 453 HG13 0.01 -0.00 -0.03 -0.04 1.21 1.15 2o1pA1 ILE 453 HG23 0.00 -0.02 0.06 -0.04 0.93 0.94 2o1pA1 ILE 453 HD13 0.00 0.00 0.07 -0.04 0.88 0.92 2o1pA1 LYS 454 H 0.00 0.16 -0.16 -0.55 8.42 7.86 2o1pA1 LYS 454 HA 0.00 0.10 0.29 -0.75 4.32 3.96 2o1pA1 LYS 454 HB2 0.00 -0.01 0.08 -0.04 1.87 1.90 2o1pA1 LYS 454 HB3 0.00 -0.04 0.13 -0.04 1.79 1.83 2o1pA1 LYS 454 HG2 0.00 -0.07 0.06 -0.04 1.46 1.41 2o1pA1 LYS 454 HG3 0.00 0.20 0.28 -0.04 1.46 1.90 2o1pA1 LYS 454 HD2 0.00 -0.05 -0.00 -0.04 1.69 1.60 2o1pA1 LYS 454 HD3 0.00 -0.05 0.02 -0.04 1.68 1.62 2o1pA1 LYS 454 HE2 0.00 -0.02 0.00 -0.04 2.99 2.94 2o1pA1 LYS 454 HE3 0.00 0.19 -0.46 -0.04 2.99 2.68 2o1pA1 ASP 455 H 0.00 0.27 -0.01 -0.55 8.40 8.11 2o1pA1 ASP 455 HA -0.00 0.13 0.84 -0.75 4.63 4.85 2o1pA1 ASP 455 HB2 -0.00 0.05 -0.12 -0.04 2.71 2.59 2o1pA1 ASP 455 HB3 -0.00 0.01 -0.25 -0.04 2.70 2.41 2o1pA1 ALA 456 H -0.00 0.12 0.01 -0.55 8.40 7.98 2o1pA1 ALA 456 HA 0.01 0.13 0.45 -0.75 4.34 4.18 2o1pA1 ALA 456 HB3 0.00 0.01 0.09 -0.04 1.41 1.47 2o1pA1 PRO 457 HA -0.01 0.08 0.33 -0.51 4.44 4.33 2o1pA1 PRO 457 HB2 -0.02 0.02 0.19 -0.04 2.28 2.43 2o1pA1 PRO 457 HB3 -0.02 0.06 0.09 -0.04 2.02 2.11 2o1pA1 PRO 457 HG2 -0.01 0.01 0.13 -0.04 2.03 2.13 2o1pA1 PRO 457 HG3 -0.01 0.06 0.11 -0.04 2.03 2.14 2o1pA1 PRO 457 HD2 -0.00 0.07 0.21 -0.04 3.68 3.91 2o1pA1 PRO 457 HD3 -0.00 0.11 0.24 -0.04 3.65 3.96 2o1pA1 LYS 458 H 0.00 0.20 0.30 -0.55 8.42 8.37 2o1pA1 LYS 458 HA -0.06 0.22 1.17 -0.75 4.32 4.90 2o1pA1 LYS 458 HB2 -0.05 -0.00 0.12 -0.04 1.87 1.90 2o1pA1 LYS 458 HB3 -0.36 0.04 -0.10 -0.04 1.79 1.33 2o1pA1 LYS 458 HG2 -0.08 0.01 -0.33 -0.04 1.46 1.01 2o1pA1 LYS 458 HG3 -0.03 0.06 -0.45 -0.04 1.46 1.00 2o1pA1 LYS 458 HD2 -0.04 -0.07 -0.18 -0.04 1.69 1.36 2o1pA1 LYS 458 HD3 -0.00 -0.01 -0.08 -0.04 1.68 1.54 2o1pA1 LYS 458 HE2 -0.44 0.07 -0.18 -0.04 2.99 2.39 2o1pA1 LYS 458 HE3 -0.16 -0.02 -0.22 -0.04 2.99 2.55 2o1pA1 ALA 459 H -0.03 0.52 0.31 -0.55 8.40 8.66 2o1pA1 ALA 459 HA 0.03 0.35 1.17 -0.75 4.34 5.13 2o1pA1 ALA 459 HB3 0.16 -0.02 0.06 -0.04 1.41 1.56 2o1pA1 TYR 460 H 0.20 0.58 0.42 -0.55 8.29 8.94 2o1pA1 TYR 460 HA -0.16 0.21 0.99 -0.75 4.56 4.85 2o1pA1 TYR 460 HB2 -0.31 -0.04 0.12 -0.04 3.06 2.79 2o1pA1 TYR 460 HB3 -1.65 0.01 -0.08 -0.04 2.98 1.22 2o1pA1 TYR 460 HD2 -0.10 0.08 -0.12 -0.04 7.15 6.96 2o1pA1 TYR 460 HE2 0.01 0.09 -0.09 -0.04 6.85 6.82 2o1pA1 LEU 461 H -0.07 0.55 0.39 -0.55 8.37 8.69 2o1pA1 LEU 461 HA -0.04 0.37 1.11 -0.75 4.35 5.03 2o1pA1 LEU 461 HB2 -0.08 0.03 0.04 -0.04 1.64 1.58 2o1pA1 LEU 461 HB3 -0.24 -0.01 -0.10 -0.04 1.64 1.25 2o1pA1 LEU 461 HG -0.54 0.07 -0.13 -0.04 1.64 1.00 2o1pA1 LEU 461 HD13 0.21 -0.02 -0.42 -0.04 0.93 0.66 2o1pA1 LEU 461 HD23 -0.82 -0.01 -0.16 -0.04 0.89 -0.14 2o1pA1 SER 462 H 0.08 0.54 0.30 -0.55 8.46 8.83 2o1pA1 SER 462 HA 0.11 0.26 0.97 -0.75 4.49 5.08 2o1pA1 SER 462 HB2 -0.07 -0.03 0.18 -0.04 3.95 3.99 2o1pA1 SER 462 HB3 -0.06 0.01 0.02 -0.04 3.93 3.86 2o1pA1 THR 463 H 0.12 0.83 0.29 -0.55 8.28 8.98 2o1pA1 THR 463 HA -0.03 0.49 1.20 -0.75 4.39 5.29 2o1pA1 THR 463 HB 0.23 -0.02 0.11 -0.04 4.32 4.60 2o1pA1 THR 463 HG23 -0.28 -0.01 -0.24 -0.04 1.22 0.65 2o1pA1 MET 464 H -0.06 0.72 0.42 -0.55 8.47 9.00 2o1pA1 MET 464 HA 0.15 0.18 0.93 -0.75 4.52 5.03 2o1pA1 MET 464 HB2 0.04 -0.00 0.09 -0.04 2.15 2.24 2o1pA1 MET 464 HB3 0.05 0.07 -0.01 -0.04 2.03 2.09 2o1pA1 MET 464 HG2 0.33 0.03 -0.06 -0.04 2.63 2.89 2o1pA1 MET 464 HG3 0.15 0.03 -0.08 -0.04 2.56 2.63 2o1pA1 MET 464 HE3 -0.02 0.03 -0.11 -0.04 2.10 1.96 2o1pA1 TYR 465 H 0.27 0.21 0.15 -0.55 8.29 8.37 2o1pA1 TYR 465 HA 0.17 0.31 1.15 -0.75 4.56 5.44 2o1pA1 TYR 465 HB2 0.31 -0.02 0.08 -0.04 3.06 3.39 2o1pA1 TYR 465 HB3 0.41 0.02 -0.05 -0.04 2.98 3.31 2o1pA1 TYR 465 HD2 0.27 0.03 -0.16 -0.04 7.15 7.25 2o1pA1 TYR 465 HE2 -0.19 0.02 -0.15 -0.04 6.85 6.49 2o1pA1 ILE 466 H 0.26 0.64 0.29 -0.55 8.25 8.88 2o1pA1 ILE 466 HA 0.21 0.24 0.77 -0.75 4.18 4.64 2o1pA1 ILE 466 HB 0.06 -0.07 0.08 -0.04 1.89 1.91 2o1pA1 ILE 466 HG12 0.05 0.08 -0.17 -0.04 1.49 1.40 2o1pA1 ILE 466 HG13 0.03 -0.03 -0.38 -0.04 1.21 0.79 2o1pA1 ILE 466 HG23 -0.00 0.02 -0.37 -0.04 0.93 0.53 2o1pA1 ILE 466 HD13 -0.07 -0.01 -0.16 -0.04 0.88 0.60 2o1pA1 GLY 467 H 0.26 0.81 0.23 -0.55 8.43 9.18 2o1pA1 GLY 467 HA2 -0.53 0.11 0.79 -0.51 4.01 3.86 2o1pA1 GLY 467 HA3 -0.76 0.05 0.37 -0.51 4.01 3.16 2o1pA1 LEU 468 H -0.53 0.62 0.33 -0.55 8.37 8.25 2o1pA1 LEU 468 HA -0.38 0.34 1.08 -0.75 4.35 4.64 2o1pA1 LEU 468 HB2 0.06 -0.04 -0.11 -0.04 1.64 1.50 2o1pA1 LEU 468 HB3 -0.40 -0.04 -0.08 -0.04 1.64 1.08 2o1pA1 LEU 468 HG -0.06 0.04 -0.40 -0.04 1.64 1.19 2o1pA1 LEU 468 HD13 0.08 -0.02 -0.15 -0.04 0.93 0.79 2o1pA1 LEU 468 HD23 -0.22 0.05 0.03 -0.04 0.89 0.71 2o1pA1 ASP 469 H -0.43 0.51 0.32 -0.55 8.40 8.25 2o1pA1 ASP 469 HA 0.11 0.07 0.88 -0.75 4.63 4.93 2o1pA1 ASP 469 HB2 -0.02 0.05 -0.19 -0.04 2.71 2.51 2o1pA1 ASP 469 HB3 -0.04 -0.11 0.07 -0.04 2.70 2.57 2o1pA1 PHE 470 H 0.29 0.18 0.22 -0.55 8.34 8.48 2o1pA1 PHE 470 HA -0.01 0.17 1.08 -0.75 4.62 5.11 2o1pA1 PHE 470 HB2 0.04 -0.06 0.07 -0.04 3.15 3.15 2o1pA1 PHE 470 HB3 -0.03 0.19 0.09 -0.04 3.06 3.27 2o1pA1 PHE 470 HD2 0.00 0.03 -0.08 -0.04 7.28 7.19 2o1pA1 PHE 470 HE2 -0.18 -0.02 -0.15 -0.04 7.38 6.98 2o1pA1 PHE 470 HZ -0.24 -0.01 -0.13 -0.04 7.32 6.90 2o1pA1 ASN 471 H 0.11 0.72 0.30 -0.55 8.53 9.12 2o1pA1 ASN 471 HA 0.07 0.05 0.76 -0.75 4.76 4.89 2o1pA1 ASN 471 HB2 0.05 -0.00 -0.02 -0.04 2.88 2.87 2o1pA1 ASN 471 HB3 0.04 -0.00 0.06 -0.04 2.79 2.86 2o1pA1 ASN 471 HD21 0.00 0.20 -0.43 -0.04 7.03 6.76 2o1pA1 ASN 471 HD22 0.02 0.14 -0.13 -0.04 7.74 7.72 2o1pA1 ILE 472 H 0.06 0.11 0.14 -0.55 8.25 8.01 2o1pA1 ILE 472 HA 0.05 -0.00 0.56 -0.75 4.18 4.03 2o1pA1 ILE 472 HB 0.03 -0.00 0.15 -0.04 1.89 2.03 2o1pA1 ILE 472 HG12 0.05 0.01 0.07 -0.04 1.49 1.57 2o1pA1 ILE 472 HG13 0.06 0.00 0.12 -0.04 1.21 1.34 2o1pA1 ILE 472 HG23 0.03 -0.00 -0.05 -0.04 0.93 0.86 2o1pA1 ILE 472 HD13 0.04 0.00 0.04 -0.04 0.88 0.92 2o1pA1 GLU 473 H 0.01 0.10 0.22 -0.55 8.60 8.39 2o1pA1 GLU 473 HA 0.01 0.27 0.93 -0.75 4.29 4.75 2o1pA1 GLU 473 HB2 -0.02 -0.04 0.09 -0.04 2.09 2.08 2o1pA1 GLU 473 HB3 -0.02 -0.08 -0.02 -0.04 1.99 1.84 2o1pA1 GLU 473 HG2 0.01 0.07 0.10 -0.04 2.34 2.47 2o1pA1 GLU 473 HG3 0.03 0.19 -0.25 -0.04 2.34 2.26 2o1pA1 ASN 474 H -0.00 0.30 0.11 -0.55 8.53 8.39 2o1pA1 ASN 474 HA 0.00 0.20 -0.03 -0.75 4.76 4.18 2o1pA1 ASN 474 HB2 -0.00 -0.12 0.13 -0.04 2.88 2.84 2o1pA1 ASN 474 HB3 0.00 0.05 0.17 -0.04 2.79 2.97 2o1pA1 ASN 474 HD21 0.01 0.06 0.01 -0.04 7.03 7.06 2o1pA1 ASN 474 HD22 0.00 -0.01 0.03 -0.04 7.74 7.72 2o1pA1 LYS 475 H -0.01 0.18 -0.46 -0.55 8.42 7.57 2o1pA1 LYS 475 HA -0.02 0.03 0.30 -0.75 4.32 3.88 2o1pA1 LYS 475 HB2 -0.00 0.02 -0.04 -0.04 1.87 1.81 2o1pA1 LYS 475 HB3 -0.00 0.26 0.30 -0.04 1.79 2.30 2o1pA1 LYS 475 HG2 -0.01 -0.01 0.02 -0.04 1.46 1.43 2o1pA1 LYS 475 HG3 -0.00 -0.02 0.07 -0.04 1.46 1.46 2o1pA1 LYS 475 HD2 0.00 0.01 0.00 -0.04 1.69 1.66 2o1pA1 LYS 475 HD3 -0.00 0.01 -0.01 -0.04 1.68 1.64 2o1pA1 LYS 475 HE2 0.00 -0.01 0.01 -0.04 2.99 2.94 2o1pA1 LYS 475 HE3 0.00 -0.01 0.01 -0.04 2.99 2.95 2o1pA1 LYS 476 H -0.01 0.20 -1.16 -0.55 8.42 6.90 2o1pA1 LYS 476 HA -0.01 0.19 0.75 -0.75 4.32 4.50 2o1pA1 LYS 476 HB2 -0.00 0.08 0.01 -0.04 1.87 1.92 2o1pA1 LYS 476 HB3 -0.00 -0.00 -0.05 -0.04 1.79 1.69 2o1pA1 LYS 476 HG2 -0.00 -0.00 0.02 -0.04 1.46 1.43 2o1pA1 LYS 476 HG3 -0.00 -0.01 0.12 -0.04 1.46 1.52 2o1pA1 LYS 476 HD2 -0.00 -0.02 0.03 -0.04 1.69 1.65 2o1pA1 LYS 476 HD3 -0.00 0.04 0.04 -0.04 1.68 1.71 2o1pA1 LYS 476 HE2 -0.00 -0.01 -0.02 -0.04 2.99 2.92 2o1pA1 LYS 476 HE3 -0.00 0.02 -0.06 -0.04 2.99 2.91 2o1pA1 GLU 477 H -0.01 -0.10 -0.24 -0.55 8.60 7.70 2o1pA1 GLU 477 HA -0.01 0.24 0.79 -0.75 4.29 4.56 2o1pA1 LYS 478 H -0.03 0.24 -0.08 -0.55 8.42 7.99 2o1pA1 LYS 478 HA -0.04 0.13 0.70 -0.75 4.32 4.36 2o1pA1 LYS 478 HB2 -0.07 0.07 -0.09 -0.04 1.87 1.74 2o1pA1 LYS 478 HB3 -0.10 0.03 0.03 -0.04 1.79 1.71 2o1pA1 LYS 478 HG2 -0.04 -0.26 -0.37 -0.04 1.46 0.74 2o1pA1 LYS 478 HG3 -0.04 0.13 -0.22 -0.04 1.46 1.28 2o1pA1 LYS 478 HD2 -0.04 0.04 -0.04 -0.04 1.69 1.61 2o1pA1 LYS 478 HD3 -0.08 0.07 -0.05 -0.04 1.68 1.59 2o1pA1 LYS 478 HE2 -0.11 0.05 -0.00 -0.04 2.99 2.89 2o1pA1 LYS 478 HE3 -0.05 -0.15 -0.12 -0.04 2.99 2.63 2o1pA1 VAL 479 H -0.08 0.14 0.14 -0.55 8.24 7.88 2o1pA1 VAL 479 HA -0.04 0.08 0.35 -0.75 4.13 3.77 2o1pA1 VAL 479 HB 0.03 -0.02 0.08 -0.04 2.12 2.17 2o1pA1 VAL 479 HG13 0.10 0.01 0.01 -0.04 0.97 1.05 2o1pA1 VAL 479 HG23 0.01 0.00 -0.17 -0.04 0.95 0.75 2o1pA1 ASP 480 H -0.06 0.21 0.21 -0.55 8.40 8.21 2o1pA1 ASP 480 HA -0.20 0.17 0.99 -0.75 4.63 4.83 2o1pA1 ASP 480 HB2 -0.08 0.10 0.02 -0.04 2.71 2.71 2o1pA1 ASP 480 HB3 -0.05 0.04 0.16 -0.04 2.70 2.81 2o1pA1 ILE 481 H -0.34 0.19 0.14 -0.55 8.25 7.68 2o1pA1 ILE 481 HA -0.08 0.25 0.79 -0.75 4.18 4.39 2o1pA1 ILE 481 HB -0.07 0.04 0.05 -0.04 1.89 1.87 2o1pA1 ILE 481 HG12 -0.40 0.02 0.01 -0.04 1.49 1.08 2o1pA1 ILE 481 HG13 -0.41 -0.02 -0.11 -0.04 1.21 0.63 2o1pA1 ILE 481 HG23 -0.07 0.03 -0.17 -0.04 0.93 0.68 2o1pA1 ILE 481 HD13 -0.07 0.02 -0.10 -0.04 0.88 0.68 2o1pA1 HIS 482 H -0.23 0.08 -0.02 -0.55 8.41 7.70 2o1pA1 HIS 482 HA 0.02 0.10 0.33 -0.75 4.63 4.33 2o1pA1 HIS 482 HB2 -0.00 0.02 0.05 -0.04 3.26 3.29 2o1pA1 HIS 482 HB3 0.02 0.05 0.11 -0.04 3.20 3.34 2o1pA1 HIS 482 HD2 0.02 0.03 -0.06 -0.04 6.97 6.91 2o1pA1 HIS 482 HE1 -0.03 0.04 0.03 -0.04 7.75 7.75 2o1pA1 ILE 483 H 0.04 0.11 -0.37 -0.55 8.25 7.49 2o1pA1 ILE 483 HA 0.07 0.12 0.72 -0.75 4.18 4.34 2o1pA1 ILE 483 HB 0.04 0.04 -0.01 -0.04 1.89 1.92 2o1pA1 ILE 483 HG12 0.01 -0.05 -0.00 -0.04 1.49 1.41 2o1pA1 ILE 483 HG13 0.01 0.08 0.06 -0.04 1.21 1.32 2o1pA1 ILE 483 HG23 0.04 -0.00 -0.02 -0.04 0.93 0.91 2o1pA1 ILE 483 HD13 0.01 0.01 0.01 -0.04 0.88 0.87 2o1pA1 PRO 484 HA 0.07 0.09 0.53 -0.51 4.44 4.62 2o1pA1 PRO 484 HB2 0.01 0.08 -0.07 -0.04 2.28 2.26 2o1pA1 PRO 484 HB3 0.03 0.05 0.04 -0.04 2.02 2.10 2o1pA1 PRO 484 HG2 -0.00 0.11 0.02 -0.04 2.03 2.11 2o1pA1 PRO 484 HG3 0.02 0.05 0.02 -0.04 2.03 2.07 2o1pA1 PRO 484 HD2 0.01 0.37 0.02 -0.04 3.68 4.04 2o1pA1 PRO 484 HD3 0.02 0.03 0.09 -0.04 3.65 3.74 2o1pA1 CYS 485 H 0.09 0.22 -0.47 -0.55 8.50 7.78 2o1pA1 CYS 485 HA 0.15 0.13 0.58 -0.75 4.58 4.68 2o1pA1 CYS 485 HB2 0.16 -0.01 0.08 -0.04 2.97 3.15 2o1pA1 CYS 485 HB3 0.16 0.01 -0.06 -0.04 2.97 3.04 2o1pA1 THR 486 H 0.12 0.46 -0.01 -0.55 8.28 8.29 2o1pA1 THR 486 HA 0.11 0.05 0.57 -0.75 4.39 4.37 2o1pA1 THR 486 HB 0.07 -0.02 0.08 -0.04 4.32 4.41 2o1pA1 THR 486 HG23 0.07 0.03 0.11 -0.04 1.22 1.39 2o1pA1 GLU 487 H 0.10 0.45 -0.23 -0.55 8.60 8.38 2o1pA1 GLU 487 HA 0.08 0.03 0.38 -0.75 4.29 4.02 2o1pA1 GLU 487 HB2 0.07 0.09 0.10 -0.04 2.09 2.31 2o1pA1 GLU 487 HB3 0.11 0.07 0.09 -0.04 1.99 2.21 2o1pA1 GLU 487 HG2 0.09 -0.00 -0.11 -0.04 2.34 2.27 2o1pA1 GLU 487 HG3 0.06 -0.03 -0.02 -0.04 2.34 2.31 2o1pA1 PHE 488 H 0.24 0.28 -0.54 -0.55 8.34 7.76 2o1pA1 PHE 488 HA 0.03 0.04 0.40 -0.75 4.62 4.33 2o1pA1 PHE 488 HB2 0.02 0.08 0.12 -0.04 3.15 3.33 2o1pA1 PHE 488 HB3 0.04 0.12 0.20 -0.04 3.06 3.37 2o1pA1 PHE 488 HD2 0.00 0.01 -0.08 -0.04 7.28 7.17 2o1pA1 PHE 488 HE2 -0.06 0.06 -0.18 -0.04 7.38 7.16 2o1pA1 PHE 488 HZ -0.10 0.06 -0.18 -0.04 7.32 7.07 2o1pA1 VAL 489 H 0.15 0.47 -0.06 -0.55 8.24 8.25 2o1pA1 VAL 489 HA -0.12 0.04 0.49 -0.75 4.13 3.79 2o1pA1 VAL 489 HB 0.10 0.02 0.19 -0.04 2.12 2.39 2o1pA1 VAL 489 HG13 0.11 -0.01 -0.07 -0.04 0.97 0.96 2o1pA1 VAL 489 HG23 0.16 0.04 0.04 -0.04 0.95 1.14 2o1pA1 ASN 490 H 0.06 0.61 -0.11 -0.55 8.53 8.55 2o1pA1 ASN 490 HA 0.07 0.03 0.43 -0.75 4.76 4.53 2o1pA1 ASN 490 HB2 0.06 0.11 0.04 -0.04 2.88 3.05 2o1pA1 ASN 490 HB3 0.06 -0.04 0.02 -0.04 2.79 2.79 2o1pA1 ASN 490 HD21 0.06 -0.08 -0.01 -0.04 7.03 6.95 2o1pA1 ASN 490 HD22 0.06 -0.02 -0.08 -0.04 7.74 7.66 2o1pA1 LEU 491 H -0.01 0.19 -0.66 -0.55 8.37 7.34 2o1pA1 LEU 491 HA 0.10 0.03 0.55 -0.75 4.35 4.28 2o1pA1 LEU 491 HB2 0.02 0.14 0.20 -0.04 1.64 1.96 2o1pA1 LEU 491 HB3 -0.13 0.03 0.02 -0.04 1.64 1.52 2o1pA1 LEU 491 HG 0.10 -0.03 0.01 -0.04 1.64 1.68 2o1pA1 LEU 491 HD13 0.11 -0.02 -0.08 -0.04 0.93 0.91 2o1pA1 LEU 491 HD23 0.12 -0.02 -0.05 -0.04 0.89 0.91 2o1pA1 CYS 492 H -0.20 0.45 -0.08 -0.55 8.50 8.12 2o1pA1 CYS 492 HA -0.12 0.04 0.45 -0.75 4.58 4.19 2o1pA1 CYS 492 HB2 -0.18 0.08 0.15 -0.04 2.97 2.98 2o1pA1 CYS 492 HB3 -0.13 -0.08 0.02 -0.04 2.97 2.74 2o1pA1 ARG 493 H 0.08 0.64 -0.11 -0.55 8.46 8.52 2o1pA1 ARG 493 HA 0.15 0.04 0.45 -0.75 4.34 4.22 2o1pA1 ARG 493 HB2 0.09 0.07 0.07 -0.04 1.90 2.09 2o1pA1 ARG 493 HB3 0.09 -0.08 0.13 -0.04 1.80 1.89 2o1pA1 ARG 493 HG2 0.03 0.26 -0.08 -0.04 1.67 1.84 2o1pA1 ARG 493 HG3 0.15 -0.04 -0.09 -0.04 1.67 1.65 2o1pA1 ARG 493 HD2 0.10 -0.05 -0.06 -0.04 3.22 3.16 2o1pA1 ARG 493 HD3 0.09 -0.06 0.01 -0.04 3.22 3.22 2o1pA1 SER 494 H 0.29 0.40 -0.54 -0.55 8.46 8.07 2o1pA1 SER 494 HA 0.07 -0.01 0.41 -0.75 4.49 4.20 2o1pA1 SER 494 HB2 -0.02 -0.13 0.14 -0.04 3.95 3.89 2o1pA1 SER 494 HB3 0.06 0.13 -0.21 -0.04 3.93 3.87 2o1pA1 PHE 495 H 0.39 0.24 0.03 -0.55 8.34 8.45 2o1pA1 PHE 495 HA 0.07 0.15 0.89 -0.75 4.62 4.97 2o1pA1 PHE 495 HB2 0.12 0.12 0.17 -0.04 3.15 3.52 2o1pA1 PHE 495 HB3 0.13 -0.05 0.23 -0.04 3.06 3.32 2o1pA1 PHE 495 HD2 0.03 -0.01 -0.11 -0.04 7.28 7.14 2o1pA1 PHE 495 HE2 -0.00 0.02 -0.02 -0.04 7.38 7.33 2o1pA1 PHE 495 HZ -0.00 -0.04 -0.03 -0.04 7.32 7.21 2o1pA1 ASN 496 H 0.00 0.17 -0.21 -0.55 8.53 7.95 2o1pA1 ASN 496 HA -0.05 -0.01 0.39 -0.75 4.76 4.34 2o1pA1 ASN 496 HB2 -0.03 0.10 0.37 -0.04 2.88 3.28 2o1pA1 ASN 496 HB3 -0.29 0.15 0.09 -0.04 2.79 2.71 2o1pA1 ASN 496 HD21 -0.27 -0.02 -0.02 -0.04 7.03 6.68 2o1pA1 ASN 496 HD22 -0.67 0.10 -0.04 -0.04 7.74 7.09 2o1pA1 GLU 497 H -0.08 0.17 0.11 -0.55 8.60 8.25 2o1pA1 GLU 497 HA -0.02 0.18 0.22 -0.75 4.29 3.91 2o1pA1 GLU 497 HB2 -0.04 0.01 0.12 -0.04 2.09 2.14 2o1pA1 GLU 497 HB3 -0.04 0.01 0.02 -0.04 1.99 1.93 2o1pA1 GLU 497 HG2 -0.01 0.01 0.09 -0.04 2.34 2.39 2o1pA1 GLU 497 HG3 -0.01 0.05 0.03 -0.04 2.34 2.36 2o1pA1 ASP 498 H -0.20 0.08 -0.21 -0.55 8.40 7.52 2o1pA1 ASP 498 HA -0.03 0.06 0.33 -0.75 4.63 4.24 2o1pA1 ASP 498 HB2 -0.30 0.07 -0.04 -0.04 2.71 2.40 2o1pA1 ASP 498 HB3 0.05 0.03 0.09 -0.04 2.70 2.82 2o1pA1 TYR 499 H -0.26 0.28 -0.59 -0.55 8.29 7.17 2o1pA1 TYR 499 HA -0.44 0.07 0.37 -0.75 4.56 3.80 2o1pA1 TYR 499 HB2 -0.16 0.07 -0.03 -0.04 3.06 2.90 2o1pA1 TYR 499 HB3 -0.53 0.04 0.04 -0.04 2.98 2.49 2o1pA1 TYR 499 HD2 -1.15 -0.04 -0.08 -0.04 7.15 5.85 2o1pA1 TYR 499 HE2 -0.42 0.11 0.01 -0.04 6.85 6.51 2o1pA1 GLY 500 H 0.03 0.42 -0.35 -0.55 8.43 7.98 2o1pA1 GLY 500 HA2 0.07 0.14 0.61 -0.51 4.01 4.32 2o1pA1 GLY 500 HA3 0.06 0.02 0.29 -0.51 4.01 3.88 2o1pA1 ASP 501 H 0.08 0.39 -0.25 -0.55 8.40 8.07 2o1pA1 ASP 501 HA 0.07 0.00 0.48 -0.75 4.63 4.44 2o1pA1 ASP 501 HB2 0.04 0.10 0.22 -0.04 2.71 3.03 2o1pA1 ASP 501 HB3 -0.00 -0.05 0.28 -0.04 2.70 2.89 2o1pA1 HIS 502 H 0.24 0.28 0.33 -0.55 8.41 8.72 2o1pA1 HIS 502 HA 0.07 0.37 0.44 -0.75 4.63 4.76 2o1pA1 HIS 502 HB2 0.03 -0.07 0.16 -0.04 3.26 3.35 2o1pA1 HIS 502 HB3 0.03 -0.02 0.01 -0.04 3.20 3.19 2o1pA1 HIS 502 HD2 0.04 0.20 0.14 -0.04 6.97 7.30 2o1pA1 HIS 502 HE1 0.04 -0.02 0.04 -0.04 7.75 7.76 2o1pA1 LYS 503 H 0.08 -0.01 -0.38 -0.55 8.42 7.56 2o1pA1 LYS 503 HA 0.10 0.07 0.42 -0.75 4.32 4.15 2o1pA1 LYS 503 HB2 0.02 -0.04 0.07 -0.04 1.87 1.88 2o1pA1 LYS 503 HB3 -0.03 -0.00 -0.01 -0.04 1.79 1.71 2o1pA1 LYS 503 HG2 -0.05 0.03 0.02 -0.04 1.46 1.43 2o1pA1 LYS 503 HG3 0.01 -0.01 0.07 -0.04 1.46 1.48 2o1pA1 LYS 503 HD2 -0.01 -0.01 0.01 -0.04 1.69 1.64 2o1pA1 LYS 503 HD3 -0.04 0.00 -0.01 -0.04 1.68 1.59 2o1pA1 LYS 503 HE2 -0.05 0.01 -0.00 -0.04 2.99 2.91 2o1pA1 LYS 503 HE3 -0.02 -0.02 0.02 -0.04 2.99 2.92 2o1pA1 VAL 504 H -0.05 0.45 -0.36 -0.55 8.24 7.74 2o1pA1 VAL 504 HA -0.30 0.14 1.04 -0.75 4.13 4.25 2o1pA1 VAL 504 HB -0.69 0.02 0.06 -0.04 2.12 1.48 2o1pA1 VAL 504 HG13 -0.23 -0.03 -0.12 -0.04 0.97 0.54 2o1pA1 VAL 504 HG23 -0.62 -0.02 0.09 -0.04 0.95 0.35 2o1pA1 PHE 505 H -0.17 0.45 0.23 -0.55 8.34 8.29 2o1pA1 PHE 505 HA -0.08 0.33 0.99 -0.75 4.62 5.11 2o1pA1 PHE 505 HB2 -0.47 0.06 0.07 -0.04 3.15 2.78 2o1pA1 PHE 505 HB3 -1.44 0.04 0.06 -0.04 3.06 1.68 2o1pA1 PHE 505 HD2 -0.43 0.18 0.02 -0.04 7.28 7.01 2o1pA1 PHE 505 HE2 -0.04 -0.04 -0.12 -0.04 7.38 7.14 2o1pA1 PHE 505 HZ -0.02 -0.08 -0.05 -0.04 7.32 7.13 2o1pA1 ASN 506 H 0.58 0.54 0.34 -0.55 8.53 9.45 2o1pA1 ASN 506 HA 0.09 0.14 0.57 -0.75 4.76 4.80 2o1pA1 ASN 506 HB2 0.16 -0.04 -0.09 -0.04 2.88 2.87 2o1pA1 ASN 506 HB3 0.08 -0.04 -0.01 -0.04 2.79 2.78 2o1pA1 ASN 506 HD21 0.11 0.35 -0.10 -0.04 7.03 7.35 2o1pA1 ASN 506 HD22 0.25 -0.16 -0.81 -0.04 7.74 6.99 2o1pA1 LEU 507 H 0.22 0.20 0.07 -0.55 8.37 8.32 2o1pA1 LEU 507 HA 0.32 0.34 1.02 -0.75 4.35 5.28 2o1pA1 LEU 507 HB2 0.44 0.02 -0.17 -0.04 1.64 1.88 2o1pA1 LEU 507 HB3 0.21 -0.04 0.14 -0.04 1.64 1.91 2o1pA1 LEU 507 HG 0.15 -0.04 -0.21 -0.04 1.64 1.51 2o1pA1 LEU 507 HD13 -0.02 0.06 -0.12 -0.04 0.93 0.80 2o1pA1 LEU 507 HD23 -0.11 -0.01 -0.05 -0.04 0.89 0.67 2o1pA1 ALA 508 H 0.34 0.46 0.22 -0.55 8.40 8.87 2o1pA1 ALA 508 HA 0.19 0.12 0.91 -0.75 4.34 4.81 2o1pA1 ALA 508 HB3 0.33 0.01 -0.00 -0.04 1.41 1.71 2o1pA1 LEU 509 H 0.15 0.19 0.21 -0.55 8.37 8.37 2o1pA1 LEU 509 HA 0.12 0.43 1.04 -0.75 4.35 5.19 2o1pA1 LEU 509 HB2 0.15 -0.03 0.10 -0.04 1.64 1.83 2o1pA1 LEU 509 HB3 0.14 -0.06 -0.06 -0.04 1.64 1.62 2o1pA1 LEU 509 HG 0.10 0.13 0.02 -0.04 1.64 1.85 2o1pA1 LEU 509 HD13 0.26 0.00 -0.29 -0.04 0.93 0.86 2o1pA1 LEU 509 HD23 0.07 -0.02 -0.08 -0.04 0.89 0.82 2o1pA1 ARG 510 H 0.11 0.58 0.29 -0.55 8.46 8.89 2o1pA1 ARG 510 HA 0.15 0.14 0.94 -0.75 4.34 4.81 2o1pA1 ARG 510 HB2 0.12 0.04 -0.19 -0.04 1.90 1.82 2o1pA1 ARG 510 HB3 0.08 -0.03 0.04 -0.04 1.80 1.85 2o1pA1 ARG 510 HG2 0.07 -0.00 -0.38 -0.04 1.67 1.31 2o1pA1 ARG 510 HG3 0.09 -0.01 -0.02 -0.04 1.67 1.69 2o1pA1 ARG 510 HD2 0.03 -0.02 -0.16 -0.04 3.22 3.02 2o1pA1 ARG 510 HD3 0.01 0.02 -0.25 -0.04 3.22 2.96 2o1pA1 PHE 511 H 0.30 0.17 0.13 -0.55 8.34 8.38 2o1pA1 PHE 511 HA 0.11 0.19 0.94 -0.75 4.62 5.11 2o1pA1 PHE 511 HB2 0.10 -0.04 0.06 -0.04 3.15 3.23 2o1pA1 PHE 511 HB3 0.11 -0.02 0.17 -0.04 3.06 3.29 2o1pA1 PHE 511 HD2 0.08 0.01 -0.07 -0.04 7.28 7.26 2o1pA1 PHE 511 HE2 0.03 -0.01 -0.10 -0.04 7.38 7.25 2o1pA1 PHE 511 HZ -0.75 -0.01 -0.09 -0.04 7.32 6.43 2o1pA1 VAL 512 H -0.21 0.78 0.32 -0.55 8.24 8.58 2o1pA1 VAL 512 HA -0.22 0.06 0.93 -0.75 4.13 4.15 2o1pA1 VAL 512 HB -0.03 0.02 -0.25 -0.04 2.12 1.83 2o1pA1 VAL 512 HG13 0.06 0.02 -0.10 -0.04 0.97 0.91 2o1pA1 VAL 512 HG23 -0.10 0.06 -0.16 -0.04 0.95 0.71 2o1pA1 LYS 513 H -0.30 0.10 0.19 -0.55 8.42 7.85 2o1pA1 LYS 513 HA -0.24 0.21 0.76 -0.75 4.32 4.29 2o1pA1 LYS 513 HB2 -0.86 -0.08 0.15 -0.04 1.87 1.05 2o1pA1 LYS 513 HB3 -0.48 0.04 0.21 -0.04 1.79 1.52 2o1pA1 LYS 513 HG2 -0.11 -0.00 -0.01 -0.04 1.46 1.30 2o1pA1 LYS 513 HG3 -0.17 0.01 0.09 -0.04 1.46 1.35 2o1pA1 LYS 513 HD2 0.07 -0.01 0.05 -0.04 1.69 1.76 2o1pA1 LYS 513 HD3 0.02 0.04 0.04 -0.04 1.68 1.73 2o1pA1 LYS 513 HE2 0.32 0.00 -0.00 -0.04 2.99 3.27 2o1pA1 LYS 513 HE3 0.31 -0.00 -0.01 -0.04 2.99 3.24 2o1pA1 GLY 514 H -0.18 0.61 0.34 -0.55 8.43 8.65 2o1pA1 GLY 514 HA2 -0.01 0.08 0.24 -0.51 4.01 3.80 2o1pA1 GLY 514 HA3 0.03 0.19 0.33 -0.51 4.01 4.06 2o1pA1 TYR 515 H -0.22 0.02 -0.13 -0.55 8.29 7.40 2o1pA1 TYR 515 HA -0.08 0.26 0.64 -0.75 4.56 4.63 2o1pA1 TYR 515 HB2 -0.06 0.03 0.14 -0.04 3.06 3.13 2o1pA1 TYR 515 HB3 -0.06 -0.02 0.13 -0.04 2.98 3.00 2o1pA1 TYR 515 HD2 -0.04 0.01 -0.11 -0.04 7.15 6.97 2o1pA1 TYR 515 HE2 -0.01 -0.01 0.01 -0.04 6.85 6.80 2o1pA1 ASP 516 H -0.45 0.37 -0.37 -0.55 8.40 7.40 2o1pA1 ASP 516 HA 0.02 0.06 0.57 -0.75 4.63 4.53 2o1pA1 ASP 516 HB2 -0.40 -0.07 0.08 -0.04 2.71 2.29 2o1pA1 ASP 516 HB3 -0.27 0.10 0.13 -0.04 2.70 2.63 2o1pA1 LEU 517 H -0.12 0.23 -0.57 -0.55 8.37 7.35 2o1pA1 LEU 517 HA -0.14 0.08 0.30 -0.75 4.35 3.83 2o1pA1 LEU 517 HB2 -0.15 0.14 0.04 -0.04 1.64 1.62 2o1pA1 LEU 517 HB3 -0.47 0.02 -0.08 -0.04 1.64 1.07 2o1pA1 LEU 517 HG -0.23 -0.03 -0.07 -0.04 1.64 1.27 2o1pA1 LEU 517 HD13 -0.75 0.02 0.00 -0.04 0.93 0.16 2o1pA1 LEU 517 HD23 -0.29 -0.02 -0.12 -0.04 0.89 0.42 2o1pA1 PRO 518 HA 0.02 0.03 0.35 -0.51 4.44 4.33 2o1pA1 PRO 518 HB2 -0.23 -0.02 -0.10 -0.04 2.28 1.89 2o1pA1 PRO 518 HB3 -0.15 -0.03 -0.01 -0.04 2.02 1.79 2o1pA1 PRO 518 HG2 -0.15 0.03 -0.02 -0.04 2.03 1.84 2o1pA1 PRO 518 HG3 -0.20 -0.02 -0.19 -0.04 2.03 1.58 2o1pA1 PRO 518 HD2 -0.24 0.07 0.09 -0.04 3.68 3.56 2o1pA1 PRO 518 HD3 -0.11 0.30 0.11 -0.04 3.65 3.91 2o1pA1 ASP 519 H 0.09 0.11 0.11 -0.55 8.40 8.17 2o1pA1 ASP 519 HA 0.21 0.15 0.33 -0.75 4.63 4.57 2o1pA1 ASP 519 HB2 0.10 -0.06 0.13 -0.04 2.71 2.84 2o1pA1 ASP 519 HB3 0.08 0.06 -0.05 -0.04 2.70 2.74 2o1pA1 GLU 520 H -0.05 0.03 -0.16 -0.55 8.60 7.87 2o1pA1 GLU 520 HA -0.02 0.06 0.29 -0.75 4.29 3.86 2o1pA1 GLU 520 HB2 0.03 0.05 -0.00 -0.04 2.09 2.13 2o1pA1 GLU 520 HB3 0.01 -0.05 0.02 -0.04 1.99 1.93 2o1pA1 GLU 520 HG2 -0.19 -0.13 -0.20 -0.04 2.34 1.78 2o1pA1 GLU 520 HG3 -0.51 0.13 -0.36 -0.04 2.34 1.56 2o1pA1 VAL 521 H -0.54 0.23 -1.00 -0.55 8.24 6.38 2o1pA1 VAL 521 HA -1.06 0.05 0.26 -0.75 4.13 2.63 2o1pA1 VAL 521 HB -1.18 0.25 -0.04 -0.04 2.12 1.11 2o1pA1 VAL 521 HG13 -2.44 -0.02 -0.16 -0.04 0.97 -1.69 2o1pA1 VAL 521 HG23 -2.02 -0.03 -0.09 -0.04 0.95 -1.23 2o1pA1 PHE 522 H -0.24 0.59 -0.04 -0.55 8.34 8.09 2o1pA1 PHE 522 HA -0.11 0.07 0.82 -0.75 4.62 4.64 2o1pA1 PHE 522 HB2 -0.10 0.09 0.04 -0.04 3.15 3.14 2o1pA1 PHE 522 HB3 -0.02 -0.12 0.00 -0.04 3.06 2.88 2o1pA1 PHE 522 HD2 -0.17 0.01 -0.03 -0.04 7.28 7.05 2o1pA1 PHE 522 HE2 -0.62 0.09 -0.21 -0.04 7.38 6.60 2o1pA1 PHE 522 HZ -0.42 0.11 -0.06 -0.04 7.32 6.91 2o1pA1 ASP 523 H 0.20 0.03 0.15 -0.55 8.40 8.23 2o1pA1 ASP 523 HA 0.08 0.21 0.57 -0.75 4.63 4.74 2o1pA1 ASP 523 HB2 0.11 -0.10 0.13 -0.04 2.71 2.80 2o1pA1 ASP 523 HB3 0.07 -0.04 0.16 -0.04 2.70 2.85 2o1pA1 GLU 524 H 0.05 0.18 0.10 -0.55 8.60 8.39 2o1pA1 GLU 524 HA 0.04 0.19 0.65 -0.75 4.29 4.41 2o1pA1 ASN 525 H 0.06 -0.09 -0.77 -0.55 8.53 7.19 2o1pA1 ASN 525 HA 0.02 0.22 0.85 -0.75 4.76 5.09 2o1pA1 GLU 526 H 0.07 0.09 -0.02 -0.55 8.60 8.20 2o1pA1 GLU 526 HA 0.01 0.24 0.60 -0.75 4.29 4.38 2o1pA1 GLU 526 HB2 0.36 0.08 0.04 -0.04 2.09 2.53 2o1pA1 GLU 526 HB3 0.08 0.06 -0.03 -0.04 1.99 2.06 2o1pA1 GLU 526 HG2 0.15 -0.10 0.04 -0.04 2.34 2.39 2o1pA1 GLU 526 HG3 0.25 0.02 0.12 -0.04 2.34 2.69 2o1pA1 LYS 527 H 0.01 0.32 0.21 -0.55 8.42 8.41 2o1pA1 LYS 527 HA -0.48 0.09 0.29 -0.75 4.32 3.47 2o1pA1 LYS 527 HB2 -0.18 -0.07 0.04 -0.04 1.87 1.63 2o1pA1 LYS 527 HB3 -0.15 0.15 0.16 -0.04 1.79 1.91 2o1pA1 LYS 527 HG2 -0.07 0.05 -0.27 -0.04 1.46 1.14 2o1pA1 LYS 527 HG3 -0.07 -0.02 -0.07 -0.04 1.46 1.26 2o1pA1 LYS 527 HD2 -0.08 -0.02 -0.11 -0.04 1.69 1.44 2o1pA1 LYS 527 HD3 -0.06 0.01 -0.08 -0.04 1.68 1.50 2o1pA1 LYS 527 HE2 -0.05 -0.03 -0.05 -0.04 2.99 2.82 2o1pA1 LYS 527 HE3 -0.05 0.01 -0.06 -0.04 2.99 2.86 2o1pA1 ARG 528 H -0.35 0.15 0.02 -0.55 8.46 7.72 2o1pA1 ARG 528 HA 0.07 0.23 0.93 -0.75 4.34 4.82 2o1pA1 ARG 528 HB2 -0.05 0.08 -0.01 -0.04 1.90 1.88 2o1pA1 ARG 528 HB3 -0.39 -0.02 -0.14 -0.04 1.80 1.21 2o1pA1 ARG 528 HG2 -0.10 -0.06 0.16 -0.04 1.67 1.62 2o1pA1 ARG 528 HG3 -0.09 0.15 0.06 -0.04 1.67 1.74 2o1pA1 ARG 528 HD2 -0.80 -0.10 0.06 -0.04 3.22 2.33 2o1pA1 ARG 528 HD3 -0.30 -0.07 0.07 -0.04 3.22 2.88 2o1pA1 PRO 529 HA -0.06 -0.04 0.42 -0.51 4.44 4.25 2o1pA1 PRO 529 HB2 -0.02 0.03 0.05 -0.04 2.28 2.30 2o1pA1 PRO 529 HB3 -0.04 0.00 0.07 -0.04 2.02 2.01 2o1pA1 PRO 529 HG2 -0.03 0.03 0.05 -0.04 2.03 2.04 2o1pA1 PRO 529 HG3 -0.04 0.00 0.01 -0.04 2.03 1.97 2o1pA1 PRO 529 HD2 0.02 0.13 0.18 -0.04 3.68 3.97 2o1pA1 PRO 529 HD3 -0.03 0.17 -0.14 -0.04 3.65 3.61 2o1pA1 SER 530 H -0.07 0.03 0.19 -0.55 8.46 8.06 2o1pA1 SER 530 HA -0.01 0.10 0.41 -0.75 4.49 4.24 2o1pA1 SER 530 HB2 -0.49 -0.02 0.12 -0.04 3.95 3.52 2o1pA1 SER 530 HB3 -0.09 0.09 0.14 -0.04 3.93 4.03 2o1pA1 LYS 531 H -0.18 0.07 0.19 -0.55 8.42 7.95 2o1pA1 LYS 531 HA -0.07 0.13 0.78 -0.75 4.32 4.40 2o1pA1 LYS 532 H -0.07 0.11 0.06 -0.55 8.42 7.97 2o1pA1 LYS 532 HA -0.08 0.12 0.22 -0.75 4.32 3.82