============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 13 1.000 37.612 36.394 90.290 -99.200 -91.000 PHE 18 1.000 36.044 38.836 85.850 -99.200 -91.000 TYR 61 0.840 45.587 36.066 91.615 -99.200 -91.000 PHE 69 1.000 33.665 33.433 73.325 -99.200 -91.000 TRP 89 1.040 38.766 30.573 69.760 -99.200 -91.000 TRP6 89 1.020 39.799 28.549 70.429 -99.200 -91.000 PHE 91 1.000 34.688 36.308 69.378 -99.200 -91.000 HIS 116 0.900 29.577 48.911 67.049 -99.200 -91.000 HIS 127 0.900 54.318 43.675 68.874 -99.200 -91.000 TYR 135 0.840 35.521 38.200 63.561 -99.200 -91.000 TYR 179 0.840 32.804 39.555 56.425 -99.200 -91.000 HIS 184 0.900 36.015 57.197 54.149 -99.200 -91.000 PHE 203 1.000 27.201 46.488 52.469 -99.200 -91.000 HIS 214 0.900 30.786 76.759 39.225 -99.200 -91.000 TYR 243 0.840 32.301 57.609 32.273 -99.200 -91.000 TRP 250 1.040 28.409 66.945 37.126 -99.200 -91.000 TRP6 250 1.020 30.414 65.862 37.745 -99.200 -91.000 HIS 251 0.900 26.374 73.696 30.134 -99.200 -91.000 PHE 255 1.000 29.506 77.902 43.852 -99.200 -91.000 PHE 261 1.000 31.769 59.637 40.154 -99.200 -91.000 PHE 263 1.000 31.717 53.143 43.494 -99.200 -91.000 TYR 264 0.840 24.788 47.603 42.287 -99.200 -91.000 PHE 276 1.000 34.290 49.461 44.261 -99.200 -91.000 HIS 277 0.900 26.332 51.310 46.799 -99.200 -91.000 TYR 296 0.840 31.282 137.303 23.029 -99.200 -91.000 TYR 299 0.840 39.593 145.226 17.970 -99.200 -91.000 TYR 307 0.840 51.023 127.995 16.629 -99.200 -91.000 HIS 324 0.900 38.219 133.856 12.844 -99.200 -91.000 TRP 342 1.040 47.923 124.917 24.193 -99.200 -91.000 TRP6 342 1.020 49.083 125.896 22.381 -99.200 -91.000 TYR 343 0.840 39.806 127.455 26.136 -99.200 -91.000 TRP 350 1.040 42.898 122.699 18.835 -99.200 -91.000 TRP6 350 1.020 43.295 121.707 20.938 -99.200 -91.000 TYR 361 0.840 38.579 146.107 24.714 -99.200 -91.000 TYR 366 0.840 42.636 156.701 32.126 -99.200 -91.000 TYR 373 0.840 40.519 173.792 21.143 -99.200 -91.000 TRP 385 1.040 34.609 154.615 16.473 -99.200 -91.000 TRP6 385 1.020 33.856 152.811 15.153 -99.200 -91.000 TYR 389 0.840 36.247 149.331 17.002 -99.200 -91.000 HIS 396 0.900 31.048 154.784 11.664 -99.200 -91.000 TYR 403 0.840 33.778 164.834 12.336 -99.200 -91.000 TRP 421 1.040 38.873 155.788 21.582 -99.200 -91.000 TRP6 421 1.020 40.431 154.021 21.468 -99.200 -91.000 TYR 422 0.840 43.173 163.303 23.890 -99.200 -91.000 PHE 424 1.000 36.090 164.919 17.727 -99.200 -91.000 TRP 433 1.040 34.263 159.098 23.651 -99.200 -91.000 TRP6 433 1.020 35.656 159.477 25.521 -99.200 -91.000 PHE 442 1.000 45.933 172.739 17.754 -99.200 -91.000 TYR 443 0.840 45.920 174.168 25.122 -99.200 -91.000 TYR 456 0.840 50.993 199.210 30.715 -99.200 -91.000 TYR 466 0.840 39.187 188.292 26.976 -99.200 -91.000 TYR 467 0.840 40.172 183.266 21.239 -99.200 -91.000 TYR 484 0.840 39.831 193.514 30.383 -99.200 -91.000 TRP 502 1.040 48.579 181.853 21.660 -99.200 -91.000 TRP6 502 1.020 46.283 182.387 21.502 -99.200 -91.000 TYR 503 0.840 53.441 187.202 26.896 -99.200 -91.000 PHE 511 1.000 41.666 183.932 33.803 -99.200 -91.000 TRP 514 1.040 45.433 180.957 28.568 -99.200 -91.000 TRP6 514 1.020 47.791 180.790 28.587 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1m9sA1 GLU 36 HA 0.10 -0.11 0.22 -0.75 4.29 3.74 1m9sA1 GLU 36 HB2 0.02 -0.03 0.04 -0.04 2.09 2.08 1m9sA1 GLU 36 HB3 -0.01 0.00 -0.07 -0.04 1.99 1.87 1m9sA1 GLU 36 HG2 0.08 -0.05 -0.06 -0.04 2.34 2.27 1m9sA1 GLU 36 HG3 0.42 0.02 -0.14 -0.04 2.34 2.59 1m9sA1 THR 37 H 0.12 0.18 0.14 -0.55 8.28 8.17 1m9sA1 THR 37 HA -0.05 0.14 0.64 -0.75 4.39 4.37 1m9sA1 THR 37 HB -0.05 -0.05 0.12 -0.04 4.32 4.31 1m9sA1 THR 37 HG23 0.09 0.02 -0.24 -0.04 1.22 1.06 1m9sA1 ILE 38 H -0.40 0.15 0.15 -0.55 8.25 7.60 1m9sA1 ILE 38 HA -0.19 0.10 0.65 -0.75 4.18 3.98 1m9sA1 ILE 38 HB -0.17 0.06 0.01 -0.04 1.89 1.74 1m9sA1 ILE 38 HG12 -0.24 -0.04 0.04 -0.04 1.49 1.21 1m9sA1 ILE 38 HG13 -0.13 -0.03 -0.36 -0.04 1.21 0.65 1m9sA1 ILE 38 HG23 -0.59 0.01 -0.03 -0.04 0.93 0.28 1m9sA1 ILE 38 HD13 -0.11 0.04 -0.12 -0.04 0.88 0.65 1m9sA1 THR 39 H -0.07 0.08 0.15 -0.55 8.28 7.89 1m9sA1 THR 39 HA -0.04 0.16 0.76 -0.75 4.39 4.52 1m9sA1 THR 39 HB -0.03 0.05 0.07 -0.04 4.32 4.38 1m9sA1 THR 39 HG23 -0.03 -0.11 0.19 -0.04 1.22 1.23 1m9sA1 VAL 40 H -0.04 0.05 0.15 -0.55 8.24 7.86 1m9sA1 VAL 40 HA -0.02 0.05 0.59 -0.75 4.13 4.00 1m9sA1 VAL 40 HB -0.02 -0.03 0.12 -0.04 2.12 2.15 1m9sA1 VAL 40 HG13 -0.03 0.01 0.07 -0.04 0.97 0.98 1m9sA1 VAL 40 HG23 -0.02 0.07 -0.00 -0.04 0.95 0.96 1m9sA1 SER 41 H -0.02 0.03 0.15 -0.55 8.46 8.08 1m9sA1 SER 41 HA -0.03 0.15 0.35 -0.75 4.49 4.21 1m9sA1 SER 41 HB2 -0.01 -0.03 0.03 -0.04 3.95 3.90 1m9sA1 SER 41 HB3 -0.01 -0.03 0.04 -0.04 3.93 3.89 1m9sA1 THR 42 H -0.02 0.44 0.34 -0.55 8.28 8.49 1m9sA1 THR 42 HA -0.01 0.11 0.67 -0.75 4.39 4.40 1m9sA1 THR 42 HB -0.04 0.00 -0.01 -0.04 4.32 4.22 1m9sA1 THR 42 HG23 -0.02 0.00 0.04 -0.04 1.22 1.20 1m9sA1 PRO 43 HA 0.02 0.25 0.52 -0.51 4.44 4.72 1m9sA1 PRO 43 HB2 0.02 -0.19 0.01 -0.04 2.28 2.09 1m9sA1 PRO 43 HB3 0.02 0.39 0.16 -0.04 2.02 2.55 1m9sA1 PRO 43 HG2 0.01 0.01 0.06 -0.04 2.03 2.07 1m9sA1 PRO 43 HG3 0.01 0.03 0.02 -0.04 2.03 2.04 1m9sA1 PRO 43 HD2 0.00 0.09 0.18 -0.04 3.68 3.92 1m9sA1 PRO 43 HD3 -0.00 0.13 0.18 -0.04 3.65 3.92 1m9sA1 ILE 44 H 0.04 0.57 0.19 -0.55 8.25 8.50 1m9sA1 ILE 44 HA 0.22 0.08 0.45 -0.75 4.18 4.18 1m9sA1 ILE 44 HB 0.03 0.30 0.27 -0.04 1.89 2.45 1m9sA1 ILE 44 HG12 0.06 -0.02 -0.06 -0.04 1.49 1.43 1m9sA1 ILE 44 HG13 0.03 0.22 -0.02 -0.04 1.21 1.39 1m9sA1 ILE 44 HG23 -0.04 -0.01 -0.11 -0.04 0.93 0.73 1m9sA1 ILE 44 HD13 -0.07 -0.02 -0.14 -0.04 0.88 0.61 1m9sA1 LYS 45 H 0.06 0.45 0.10 -0.55 8.42 8.47 1m9sA1 LYS 45 HA 0.10 0.13 0.26 -0.75 4.32 4.06 1m9sA1 LYS 45 HB2 0.05 0.01 -0.00 -0.04 1.87 1.89 1m9sA1 LYS 45 HB3 0.04 -0.03 0.01 -0.04 1.79 1.77 1m9sA1 LYS 45 HG2 0.03 0.01 -0.04 -0.04 1.46 1.41 1m9sA1 LYS 45 HG3 0.04 0.08 -0.33 -0.04 1.46 1.21 1m9sA1 LYS 45 HD2 0.02 -0.05 -0.07 -0.04 1.69 1.55 1m9sA1 LYS 45 HD3 0.02 -0.00 -0.09 -0.04 1.68 1.57 1m9sA1 LYS 45 HE2 0.03 0.03 -0.21 -0.04 2.99 2.80 1m9sA1 LYS 45 HE3 0.04 0.02 -0.11 -0.04 2.99 2.90 1m9sA1 GLN 46 H 0.06 0.05 -0.85 -0.55 8.47 7.18 1m9sA1 GLN 46 HA 0.03 0.02 0.32 -0.75 4.36 3.98 1m9sA1 GLN 46 HB2 0.02 -0.09 0.01 -0.04 2.15 2.05 1m9sA1 GLN 46 HB3 0.02 0.22 -0.04 -0.04 2.02 2.18 1m9sA1 GLN 46 HG2 -0.00 -0.05 -0.03 -0.04 2.40 2.28 1m9sA1 GLN 46 HG3 -0.00 0.06 -0.35 -0.04 2.39 2.06 1m9sA1 GLN 46 HE21 0.01 -0.04 0.03 -0.04 6.97 6.92 1m9sA1 GLN 46 HE22 0.01 0.03 -0.03 -0.04 7.69 7.66 1m9sA1 ILE 47 H 0.07 0.67 -0.19 -0.55 8.25 8.24 1m9sA1 ILE 47 HA -0.04 0.11 0.82 -0.75 4.18 4.31 1m9sA1 ILE 47 HB -0.17 0.07 0.12 -0.04 1.89 1.86 1m9sA1 ILE 47 HG12 -0.06 -0.04 -0.08 -0.04 1.49 1.27 1m9sA1 ILE 47 HG13 -0.04 0.06 -0.15 -0.04 1.21 1.04 1m9sA1 ILE 47 HG23 -0.55 -0.03 -0.13 -0.04 0.93 0.18 1m9sA1 ILE 47 HD13 -0.13 -0.01 -0.07 -0.04 0.88 0.63 1m9sA1 PHE 48 H 0.26 0.48 -0.03 -0.55 8.34 8.50 1m9sA1 PHE 48 HA 0.10 0.35 0.79 -0.75 4.62 5.11 1m9sA1 PHE 48 HB2 -0.08 -0.10 0.02 -0.04 3.15 2.95 1m9sA1 PHE 48 HB3 -0.08 -0.05 -0.16 -0.04 3.06 2.73 1m9sA1 PHE 48 HD2 -0.29 0.06 -0.10 -0.04 7.28 6.90 1m9sA1 PHE 48 HE2 -0.09 -0.00 -0.14 -0.04 7.38 7.10 1m9sA1 PHE 48 HZ -0.03 0.05 -0.12 -0.04 7.32 7.17 1m9sA1 PRO 49 HA 0.09 0.14 0.32 -0.51 4.44 4.48 1m9sA1 PRO 49 HB2 0.09 -0.14 0.04 -0.04 2.28 2.22 1m9sA1 PRO 49 HB3 0.06 0.01 0.02 -0.04 2.02 2.07 1m9sA1 PRO 49 HG2 0.05 -0.06 -0.01 -0.04 2.03 1.96 1m9sA1 PRO 49 HG3 0.05 0.13 -0.09 -0.04 2.03 2.08 1m9sA1 PRO 49 HD2 0.13 0.03 0.12 -0.04 3.68 3.92 1m9sA1 PRO 49 HD3 0.04 0.77 -0.02 -0.04 3.65 4.39 1m9sA1 ASP 50 H 0.20 0.12 -0.17 -0.55 8.40 8.00 1m9sA1 ASP 50 HA 0.10 0.03 0.49 -0.75 4.63 4.50 1m9sA1 ASP 50 HB2 0.13 -0.05 0.14 -0.04 2.71 2.88 1m9sA1 ASP 50 HB3 0.28 0.09 0.18 -0.04 2.70 3.21 1m9sA1 ASP 51 H 0.08 0.21 0.31 -0.55 8.40 8.45 1m9sA1 ASP 51 HA 0.06 0.12 0.36 -0.75 4.63 4.43 1m9sA1 ASP 51 HB2 0.04 -0.07 0.22 -0.04 2.71 2.87 1m9sA1 ASP 51 HB3 0.03 0.01 0.05 -0.04 2.70 2.76 1m9sA1 ALA 52 H 0.07 0.14 -0.02 -0.55 8.40 8.04 1m9sA1 ALA 52 HA 0.04 0.02 0.36 -0.75 4.34 4.01 1m9sA1 ALA 52 HB3 0.06 0.03 0.03 -0.04 1.41 1.49 1m9sA1 PHE 53 H 0.22 0.17 -0.44 -0.55 8.34 7.73 1m9sA1 PHE 53 HA -0.01 0.05 0.45 -0.75 4.62 4.36 1m9sA1 PHE 53 HB2 0.05 -0.05 0.11 -0.04 3.15 3.23 1m9sA1 PHE 53 HB3 0.09 0.13 0.07 -0.04 3.06 3.31 1m9sA1 PHE 53 HD2 0.13 -0.02 -0.04 -0.04 7.28 7.31 1m9sA1 PHE 53 HE2 0.18 0.04 -0.14 -0.04 7.38 7.42 1m9sA1 PHE 53 HZ 0.19 0.04 -0.07 -0.04 7.32 7.43 1m9sA1 ALA 54 H 0.05 0.56 -0.04 -0.55 8.40 8.42 1m9sA1 ALA 54 HA -0.53 0.03 0.40 -0.75 4.34 3.48 1m9sA1 ALA 54 HB3 0.00 0.06 0.05 -0.04 1.41 1.49 1m9sA1 GLU 55 H -0.04 0.66 -0.03 -0.55 8.60 8.65 1m9sA1 GLU 55 HA -0.06 -0.07 0.32 -0.75 4.29 3.71 1m9sA1 GLU 55 HB2 -0.01 -0.06 0.05 -0.04 2.09 2.03 1m9sA1 GLU 55 HB3 -0.00 0.24 0.15 -0.04 1.99 2.34 1m9sA1 GLU 55 HG2 -0.00 0.01 -0.03 -0.04 2.34 2.27 1m9sA1 GLU 55 HG3 -0.02 0.03 -0.28 -0.04 2.34 2.03 1m9sA1 THR 56 H -0.04 0.51 -0.23 -0.55 8.28 7.96 1m9sA1 THR 56 HA -0.04 -0.01 0.31 -0.75 4.39 3.91 1m9sA1 THR 56 HB 0.03 -0.06 -0.05 -0.04 4.32 4.20 1m9sA1 THR 56 HG23 0.06 0.03 0.02 -0.04 1.22 1.30 1m9sA1 ILE 57 H -0.38 0.43 -0.39 -0.55 8.25 7.36 1m9sA1 ILE 57 HA -0.29 0.02 0.42 -0.75 4.18 3.58 1m9sA1 ILE 57 HB -0.72 0.16 0.21 -0.04 1.89 1.50 1m9sA1 ILE 57 HG12 -1.23 0.26 0.07 -0.04 1.49 0.55 1m9sA1 ILE 57 HG13 -2.91 -0.07 -0.04 -0.04 1.21 -1.85 1m9sA1 ILE 57 HG23 -0.40 -0.02 -0.21 -0.04 0.93 0.26 1m9sA1 ILE 57 HD13 -0.42 -0.01 -0.05 -0.04 0.88 0.35 1m9sA1 LYS 58 H -0.22 0.63 -0.03 -0.55 8.42 8.24 1m9sA1 LYS 58 HA -0.10 -0.07 0.19 -0.75 4.32 3.59 1m9sA1 LYS 58 HB2 -0.09 -0.09 -0.04 -0.04 1.87 1.61 1m9sA1 LYS 58 HB3 -0.08 0.19 0.14 -0.04 1.79 2.01 1m9sA1 LYS 58 HG2 -0.04 0.18 -0.56 -0.04 1.46 0.99 1m9sA1 LYS 58 HG3 -0.04 -0.19 -0.61 -0.04 1.46 0.58 1m9sA1 LYS 58 HD2 -0.03 0.24 -0.35 -0.04 1.69 1.51 1m9sA1 LYS 58 HD3 -0.04 -0.17 -0.10 -0.04 1.68 1.33 1m9sA1 LYS 58 HE2 -0.04 0.01 -0.04 -0.04 2.99 2.87 1m9sA1 LYS 58 HE3 -0.03 0.15 -0.19 -0.04 2.99 2.88 1m9sA1 ASP 59 H -0.07 0.46 -0.12 -0.55 8.40 8.12 1m9sA1 ASP 59 HA -0.04 0.03 0.26 -0.75 4.63 4.12 1m9sA1 ASP 59 HB2 -0.04 0.11 0.06 -0.04 2.71 2.80 1m9sA1 ASP 59 HB3 -0.03 -0.04 -0.00 -0.04 2.70 2.59 1m9sA1 ASN 60 H -0.07 0.42 -0.37 -0.55 8.53 7.95 1m9sA1 ASN 60 HA -0.03 -0.06 0.44 -0.75 4.76 4.35 1m9sA1 ASN 60 HB2 -0.05 0.02 0.21 -0.04 2.88 3.02 1m9sA1 ASN 60 HB3 -0.08 0.12 0.28 -0.04 2.79 3.07 1m9sA1 ASN 60 HD21 0.01 0.01 0.09 -0.04 7.03 7.10 1m9sA1 ASN 60 HD22 -0.00 -0.11 0.07 -0.04 7.74 7.66 1m9sA1 LEU 61 H -0.07 0.69 0.05 -0.55 8.37 8.49 1m9sA1 LEU 61 HA -0.02 0.09 0.57 -0.75 4.35 4.23 1m9sA1 LEU 61 HB2 -0.04 -0.01 0.05 -0.04 1.64 1.59 1m9sA1 LEU 61 HB3 -0.02 -0.09 0.15 -0.04 1.64 1.64 1m9sA1 LEU 61 HG -0.05 0.05 -0.02 -0.04 1.64 1.58 1m9sA1 LEU 61 HD13 -0.00 -0.04 -0.11 -0.04 0.93 0.73 1m9sA1 LEU 61 HD23 0.00 0.02 -0.05 -0.04 0.89 0.82 1m9sA1 LYS 62 H -0.03 0.46 -0.84 -0.55 8.42 7.45 1m9sA1 LYS 62 HA -0.02 0.07 0.30 -0.75 4.32 3.91 1m9sA1 LYS 62 HB2 -0.02 0.15 -0.20 -0.04 1.87 1.76 1m9sA1 LYS 62 HB3 -0.02 -0.12 0.18 -0.04 1.79 1.79 1m9sA1 LYS 62 HG2 -0.02 0.18 -0.07 -0.04 1.46 1.51 1m9sA1 LYS 62 HG3 -0.01 -0.09 -0.04 -0.04 1.46 1.28 1m9sA1 LYS 62 HD2 -0.02 -0.08 0.06 -0.04 1.69 1.61 1m9sA1 LYS 62 HD3 -0.02 0.11 0.09 -0.04 1.68 1.82 1m9sA1 LYS 62 HE2 -0.02 0.05 0.04 -0.04 2.99 3.02 1m9sA1 LYS 62 HE3 -0.01 -0.05 0.02 -0.04 2.99 2.90 1m9sA1 LYS 63 H -0.03 0.21 -0.70 -0.55 8.42 7.34 1m9sA1 LYS 63 HA -0.02 0.04 0.32 -0.75 4.32 3.91 1m9sA1 LYS 63 HB2 -0.04 -0.03 -0.13 -0.04 1.87 1.63 1m9sA1 LYS 63 HB3 -0.02 -0.17 -0.05 -0.04 1.79 1.50 1m9sA1 LYS 63 HG2 -0.03 0.12 -0.09 -0.04 1.46 1.42 1m9sA1 LYS 63 HG3 -0.02 -0.03 -0.11 -0.04 1.46 1.26 1m9sA1 LYS 63 HD2 -0.01 -0.12 0.01 -0.04 1.69 1.53 1m9sA1 LYS 63 HD3 -0.01 0.06 -0.02 -0.04 1.68 1.66 1m9sA1 LYS 63 HE2 -0.00 0.02 -0.00 -0.04 2.99 2.97 1m9sA1 LYS 63 HE3 -0.01 -0.06 0.03 -0.04 2.99 2.91 1m9sA1 LYS 64 H -0.02 0.03 0.12 -0.55 8.42 8.00 1m9sA1 LYS 64 HA -0.01 0.20 0.54 -0.75 4.32 4.29 1m9sA1 LYS 64 HB2 -0.01 -0.14 0.16 -0.04 1.87 1.85 1m9sA1 LYS 64 HB3 -0.01 0.03 0.07 -0.04 1.79 1.83 1m9sA1 LYS 64 HG2 -0.01 0.11 0.04 -0.04 1.46 1.56 1m9sA1 LYS 64 HG3 -0.01 -0.04 0.16 -0.04 1.46 1.53 1m9sA1 LYS 64 HD2 -0.01 -0.06 0.06 -0.04 1.69 1.64 1m9sA1 LYS 64 HD3 -0.01 0.01 0.03 -0.04 1.68 1.68 1m9sA1 LYS 64 HE2 -0.01 0.06 0.03 -0.04 2.99 3.02 1m9sA1 LYS 64 HE3 -0.01 0.00 0.05 -0.04 2.99 2.99 1m9sA1 SER 65 H -0.01 0.10 0.15 -0.55 8.46 8.15 1m9sA1 SER 65 HA -0.02 0.28 0.86 -0.75 4.49 4.86 1m9sA1 SER 65 HB2 -0.01 0.15 -0.08 -0.04 3.95 3.97 1m9sA1 SER 65 HB3 -0.01 -0.05 0.08 -0.04 3.93 3.91 1m9sA1 VAL 66 H -0.02 0.23 0.10 -0.55 8.24 8.01 1m9sA1 VAL 66 HA -0.03 0.12 0.27 -0.75 4.13 3.73 1m9sA1 VAL 66 HB -0.00 -0.00 0.03 -0.04 2.12 2.11 1m9sA1 VAL 66 HG13 0.00 -0.01 -0.02 -0.04 0.97 0.90 1m9sA1 VAL 66 HG23 -0.03 0.03 -0.00 -0.04 0.95 0.90 1m9sA1 THR 67 H -0.00 -0.05 -0.66 -0.55 8.28 7.02 1m9sA1 THR 67 HA 0.01 0.04 0.49 -0.75 4.39 4.17 1m9sA1 THR 67 HB 0.01 0.03 -0.01 -0.04 4.32 4.30 1m9sA1 THR 67 HG23 0.01 -0.00 -0.02 -0.04 1.22 1.16 1m9sA1 ASP 68 H -0.00 0.25 -0.00 -0.55 8.40 8.09 1m9sA1 ASP 68 HA 0.00 -0.03 0.35 -0.75 4.63 4.20 1m9sA1 ASP 68 HB2 -0.01 0.06 0.03 -0.04 2.71 2.76 1m9sA1 ASP 68 HB3 -0.00 0.08 0.12 -0.04 2.70 2.86 1m9sA1 ALA 69 H 0.00 0.05 0.16 -0.55 8.40 8.06 1m9sA1 ALA 69 HA 0.01 0.19 0.63 -0.75 4.34 4.42 1m9sA1 ALA 69 HB3 0.00 -0.02 -0.10 -0.04 1.41 1.25 1m9sA1 VAL 70 H 0.01 0.63 0.31 -0.55 8.24 8.64 1m9sA1 VAL 70 HA 0.01 0.11 0.74 -0.75 4.13 4.23 1m9sA1 VAL 70 HB 0.02 -0.00 0.04 -0.04 2.12 2.15 1m9sA1 VAL 70 HG13 0.01 0.00 -0.31 -0.04 0.97 0.64 1m9sA1 VAL 70 HG23 0.06 0.02 -0.14 -0.04 0.95 0.86 1m9sA1 THR 71 H 0.00 0.14 0.17 -0.55 8.28 8.04 1m9sA1 THR 71 HA -0.02 0.25 0.80 -0.75 4.39 4.67 1m9sA1 THR 71 HB -0.01 0.01 0.15 -0.04 4.32 4.43 1m9sA1 THR 71 HG23 -0.01 0.02 -0.03 -0.04 1.22 1.17 1m9sA1 GLN 72 H -0.03 0.30 0.15 -0.55 8.47 8.34 1m9sA1 GLN 72 HA -0.02 0.15 0.49 -0.75 4.36 4.22 1m9sA1 GLN 72 HB2 -0.06 0.29 0.22 -0.04 2.15 2.56 1m9sA1 GLN 72 HB3 -0.02 -0.05 0.15 -0.04 2.02 2.06 1m9sA1 GLN 72 HG2 -0.02 0.05 0.04 -0.04 2.40 2.43 1m9sA1 GLN 72 HG3 0.01 -0.02 -0.06 -0.04 2.39 2.27 1m9sA1 GLN 72 HE21 0.09 0.50 0.20 -0.04 6.97 7.72 1m9sA1 GLN 72 HE22 0.05 -0.11 0.06 -0.04 7.69 7.65 1m9sA1 ASN 73 H -0.00 0.09 -0.08 -0.55 8.53 7.99 1m9sA1 ASN 73 HA 0.01 0.13 0.36 -0.75 4.76 4.51 1m9sA1 ASN 73 HB2 0.00 -0.06 0.03 -0.04 2.88 2.81 1m9sA1 ASN 73 HB3 0.01 0.08 0.00 -0.04 2.79 2.84 1m9sA1 ASN 73 HD21 -0.00 0.05 0.04 -0.04 7.03 7.08 1m9sA1 ASN 73 HD22 -0.00 -0.06 0.06 -0.04 7.74 7.70 1m9sA1 GLU 74 H 0.01 0.12 -0.56 -0.55 8.60 7.63 1m9sA1 GLU 74 HA 0.02 0.13 0.56 -0.75 4.29 4.24 1m9sA1 GLU 74 HB2 0.02 0.13 0.11 -0.04 2.09 2.31 1m9sA1 GLU 74 HB3 0.01 0.08 0.06 -0.04 1.99 2.10 1m9sA1 GLU 74 HG2 0.01 0.07 0.00 -0.04 2.34 2.38 1m9sA1 GLU 74 HG3 0.00 -0.17 0.06 -0.04 2.34 2.19 1m9sA1 LEU 75 H 0.03 0.26 -0.09 -0.55 8.37 8.02 1m9sA1 LEU 75 HA 0.08 0.02 0.47 -0.75 4.35 4.17 1m9sA1 LEU 75 HB2 0.05 0.10 0.32 -0.04 1.64 2.08 1m9sA1 LEU 75 HB3 0.12 0.27 0.17 -0.04 1.64 2.16 1m9sA1 LEU 75 HG 0.04 0.08 0.00 -0.04 1.64 1.72 1m9sA1 LEU 75 HD13 -0.01 -0.02 0.04 -0.04 0.93 0.90 1m9sA1 LEU 75 HD23 0.19 -0.02 -0.07 -0.04 0.89 0.95 1m9sA1 ASN 76 H 0.04 0.56 -0.01 -0.55 8.53 8.57 1m9sA1 ASN 76 HA 0.06 0.03 0.40 -0.75 4.76 4.49 1m9sA1 ASN 76 HB2 0.03 0.03 0.03 -0.04 2.88 2.93 1m9sA1 ASN 76 HB3 0.03 -0.03 0.04 -0.04 2.79 2.80 1m9sA1 ASN 76 HD21 0.02 -0.04 -0.11 -0.04 7.03 6.86 1m9sA1 ASN 76 HD22 0.02 -0.04 -0.07 -0.04 7.74 7.61 1m9sA1 SER 77 H 0.04 0.20 -0.73 -0.55 8.46 7.42 1m9sA1 SER 77 HA 0.03 0.05 0.48 -0.75 4.49 4.30 1m9sA1 SER 77 HB2 0.02 -0.09 0.13 -0.04 3.95 3.97 1m9sA1 SER 77 HB3 0.02 0.04 0.13 -0.04 3.93 4.08 1m9sA1 ILE 78 H 0.05 0.41 -0.51 -0.55 8.25 7.65 1m9sA1 ILE 78 HA 0.04 0.02 0.74 -0.75 4.18 4.23 1m9sA1 ILE 78 HB 0.08 0.10 0.14 -0.04 1.89 2.17 1m9sA1 ILE 78 HG12 0.03 -0.03 -0.05 -0.04 1.49 1.40 1m9sA1 ILE 78 HG13 0.05 0.15 0.09 -0.04 1.21 1.46 1m9sA1 ILE 78 HG23 0.06 -0.05 -0.06 -0.04 0.93 0.84 1m9sA1 ILE 78 HD13 0.04 -0.03 0.01 -0.04 0.88 0.86 1m9sA1 ASP 79 H 0.05 -0.02 0.27 -0.55 8.40 8.16 1m9sA1 ASP 79 HA 0.08 0.39 0.92 -0.75 4.63 5.27 1m9sA1 ASP 79 HB2 0.08 0.09 0.20 -0.04 2.71 3.05 1m9sA1 ASP 79 HB3 0.06 0.07 -0.08 -0.04 2.70 2.70 1m9sA1 GLN 80 H 0.06 0.06 0.28 -0.55 8.47 8.32 1m9sA1 GLN 80 HA 0.12 0.23 1.06 -0.75 4.36 5.01 1m9sA1 GLN 80 HB2 0.05 0.02 0.01 -0.04 2.15 2.19 1m9sA1 GLN 80 HB3 0.04 0.03 0.09 -0.04 2.02 2.13 1m9sA1 GLN 80 HG2 0.05 -0.03 -0.17 -0.04 2.40 2.21 1m9sA1 GLN 80 HG3 0.12 -0.06 0.04 -0.04 2.39 2.46 1m9sA1 GLN 80 HE21 -0.08 0.01 -0.01 -0.04 6.97 6.85 1m9sA1 GLN 80 HE22 -0.01 0.01 -0.00 -0.04 7.69 7.65 1m9sA1 ILE 81 H 0.17 0.20 0.05 -0.55 8.25 8.13 1m9sA1 ILE 81 HA 0.09 0.12 0.60 -0.75 4.18 4.23 1m9sA1 ILE 81 HB 0.16 0.02 0.07 -0.04 1.89 2.10 1m9sA1 ILE 81 HG12 0.09 0.05 0.10 -0.04 1.49 1.69 1m9sA1 ILE 81 HG13 0.12 0.07 -0.55 -0.04 1.21 0.81 1m9sA1 ILE 81 HG23 0.21 -0.03 -0.20 -0.04 0.93 0.87 1m9sA1 ILE 81 HD13 0.22 -0.00 -0.09 -0.04 0.88 0.97 1m9sA1 ILE 82 H 0.05 0.26 0.04 -0.55 8.25 8.06 1m9sA1 ILE 82 HA 0.14 0.12 1.05 -0.75 4.18 4.73 1m9sA1 ILE 82 HB -0.03 0.06 0.26 -0.04 1.89 2.13 1m9sA1 ILE 82 HG12 -0.02 0.00 -0.02 -0.04 1.49 1.40 1m9sA1 ILE 82 HG13 -0.13 0.05 0.00 -0.04 1.21 1.09 1m9sA1 ILE 82 HG23 -0.16 -0.02 0.00 -0.04 0.93 0.71 1m9sA1 ILE 82 HD13 -0.15 0.00 -0.24 -0.04 0.88 0.46 1m9sA1 ALA 83 H 0.13 0.51 0.05 -0.55 8.40 8.54 1m9sA1 ALA 83 HA 0.06 0.23 0.90 -0.75 4.34 4.77 1m9sA1 ALA 83 HB3 0.12 -0.01 0.03 -0.04 1.41 1.50 1m9sA1 ASN 84 H 0.04 0.18 -0.22 -0.55 8.53 7.98 1m9sA1 ASN 84 HA 0.06 0.19 0.55 -0.75 4.76 4.81 1m9sA1 ASN 84 HB2 0.01 0.04 0.00 -0.04 2.88 2.89 1m9sA1 ASN 84 HB3 0.04 0.00 -0.14 -0.04 2.79 2.65 1m9sA1 ASN 84 HD21 -0.03 -0.04 -0.06 -0.04 7.03 6.87 1m9sA1 ASN 84 HD22 -0.03 0.06 -0.06 -0.04 7.74 7.67 1m9sA1 ASN 85 H 0.03 0.68 0.08 -0.55 8.53 8.78 1m9sA1 ASN 85 HA 0.02 0.43 0.41 -0.75 4.76 4.86 1m9sA1 ASN 85 HB2 0.01 0.13 0.19 -0.04 2.88 3.17 1m9sA1 ASN 85 HB3 0.01 -0.03 0.19 -0.04 2.79 2.91 1m9sA1 ASN 85 HD21 0.01 -0.08 -0.06 -0.04 7.03 6.86 1m9sA1 ASN 85 HD22 0.00 0.08 0.07 -0.04 7.74 7.85 1m9sA1 SER 86 H 0.03 0.15 -0.19 -0.55 8.46 7.90 1m9sA1 SER 86 HA 0.02 0.28 0.81 -0.75 4.49 4.85 1m9sA1 SER 86 HB2 0.05 -0.02 -0.08 -0.04 3.95 3.86 1m9sA1 SER 86 HB3 0.05 -0.02 0.03 -0.04 3.93 3.95 1m9sA1 ASP 87 H 0.02 0.23 -0.23 -0.55 8.40 7.87 1m9sA1 ASP 87 HA 0.01 0.06 0.22 -0.75 4.63 4.18 1m9sA1 ASP 87 HB2 0.02 0.05 -0.24 -0.04 2.71 2.50 1m9sA1 ASP 87 HB3 0.02 -0.04 0.16 -0.04 2.70 2.80 1m9sA1 ILE 88 H 0.02 0.02 -0.42 -0.55 8.25 7.32 1m9sA1 ILE 88 HA 0.04 0.05 0.77 -0.75 4.18 4.28 1m9sA1 ILE 88 HB -0.02 -0.02 0.02 -0.04 1.89 1.82 1m9sA1 ILE 88 HG12 0.11 -0.09 -0.24 -0.04 1.49 1.23 1m9sA1 ILE 88 HG13 0.05 0.10 -0.30 -0.04 1.21 1.03 1m9sA1 ILE 88 HG23 -0.08 -0.05 -0.16 -0.04 0.93 0.59 1m9sA1 ILE 88 HD13 0.08 0.04 -0.07 -0.04 0.88 0.89 1m9sA1 LYS 89 H 0.02 0.11 0.19 -0.55 8.42 8.19 1m9sA1 LYS 89 HA -0.00 0.30 0.56 -0.75 4.32 4.42 1m9sA1 LYS 89 HB2 0.02 -0.08 0.10 -0.04 1.87 1.88 1m9sA1 LYS 89 HB3 0.01 0.04 0.08 -0.04 1.79 1.88 1m9sA1 LYS 89 HG2 0.01 0.08 -0.04 -0.04 1.46 1.46 1m9sA1 LYS 89 HG3 0.02 0.04 -0.02 -0.04 1.46 1.46 1m9sA1 LYS 89 HD2 0.02 -0.05 0.04 -0.04 1.69 1.66 1m9sA1 LYS 89 HD3 0.01 0.01 0.02 -0.04 1.68 1.69 1m9sA1 LYS 89 HE2 0.02 -0.01 0.02 -0.04 2.99 2.97 1m9sA1 LYS 89 HE3 0.01 0.02 -0.00 -0.04 2.99 2.98 1m9sA1 SER 90 H 0.01 0.10 0.12 -0.55 8.46 8.13 1m9sA1 SER 90 HA -0.05 0.19 0.78 -0.75 4.49 4.67 1m9sA1 SER 90 HB2 0.01 0.13 -0.09 -0.04 3.95 3.95 1m9sA1 SER 90 HB3 0.04 -0.03 0.04 -0.04 3.93 3.94 1m9sA1 VAL 91 H -0.08 0.14 0.10 -0.55 8.24 7.85 1m9sA1 VAL 91 HA -0.59 0.27 0.88 -0.75 4.13 3.93 1m9sA1 VAL 91 HB -0.52 0.06 0.11 -0.04 2.12 1.72 1m9sA1 VAL 91 HG13 -0.54 0.02 -0.20 -0.04 0.97 0.20 1m9sA1 VAL 91 HG23 -0.10 -0.01 -0.10 -0.04 0.95 0.69 1m9sA1 GLN 92 H 0.05 -0.01 -0.03 -0.55 8.47 7.93 1m9sA1 GLN 92 HA 0.01 -0.02 0.42 -0.75 4.36 4.02 1m9sA1 GLN 92 HB2 0.01 -0.04 0.12 -0.04 2.15 2.21 1m9sA1 GLN 92 HB3 0.06 -0.04 0.11 -0.04 2.02 2.11 1m9sA1 GLN 92 HG2 0.01 0.01 -0.01 -0.04 2.40 2.37 1m9sA1 GLN 92 HG3 -0.00 0.21 -0.25 -0.04 2.39 2.30 1m9sA1 GLN 92 HE21 -0.05 0.04 0.01 -0.04 6.97 6.93 1m9sA1 GLN 92 HE22 -0.02 -0.06 0.04 -0.04 7.69 7.61 1m9sA1 GLY 93 H -0.09 0.07 0.17 -0.55 8.43 8.04 1m9sA1 GLY 93 HA2 -0.26 0.04 0.38 -0.51 4.01 3.66 1m9sA1 GLY 93 HA3 -0.28 0.39 0.75 -0.51 4.01 4.36 1m9sA1 ILE 94 H 0.17 0.50 -0.20 -0.55 8.25 8.17 1m9sA1 ILE 94 HA 0.27 0.11 0.26 -0.75 4.18 4.07 1m9sA1 ILE 94 HB 0.42 0.10 0.06 -0.04 1.89 2.43 1m9sA1 ILE 94 HG12 0.16 0.05 0.04 -0.04 1.49 1.70 1m9sA1 ILE 94 HG13 0.36 0.02 0.02 -0.04 1.21 1.57 1m9sA1 ILE 94 HG23 0.05 -0.02 -0.28 -0.04 0.93 0.63 1m9sA1 ILE 94 HD13 0.19 -0.01 -0.07 -0.04 0.88 0.94 1m9sA1 GLN 95 H -0.20 -0.12 -0.96 -0.55 8.47 6.65 1m9sA1 GLN 95 HA -0.07 0.17 0.40 -0.75 4.36 4.10 1m9sA1 GLN 95 HB2 -0.55 0.00 -0.07 -0.04 2.15 1.48 1m9sA1 GLN 95 HB3 -0.21 0.09 0.07 -0.04 2.02 1.94 1m9sA1 GLN 95 HG2 -0.14 0.02 0.02 -0.04 2.40 2.26 1m9sA1 GLN 95 HG3 -0.10 0.17 0.01 -0.04 2.39 2.43 1m9sA1 GLN 95 HE21 -0.12 -0.09 0.06 -0.04 6.97 6.78 1m9sA1 GLN 95 HE22 -0.13 0.10 -0.00 -0.04 7.69 7.62 1m9sA1 TYR 96 H -0.09 0.42 -0.31 -0.55 8.29 7.76 1m9sA1 TYR 96 HA 0.00 0.42 0.76 -0.75 4.56 4.99 1m9sA1 TYR 96 HB2 -0.08 0.11 0.09 -0.04 3.06 3.13 1m9sA1 TYR 96 HB3 -0.02 -0.11 0.21 -0.04 2.98 3.02 1m9sA1 TYR 96 HD2 -0.12 0.38 -0.03 -0.04 7.15 7.34 1m9sA1 TYR 96 HE2 -0.06 -0.04 -0.31 -0.04 6.85 6.39 1m9sA1 LEU 97 H 0.10 0.28 -0.71 -0.55 8.37 7.48 1m9sA1 LEU 97 HA 0.12 0.21 0.69 -0.75 4.35 4.61 1m9sA1 LEU 97 HB2 0.14 0.06 0.12 -0.04 1.64 1.92 1m9sA1 LEU 97 HB3 0.12 0.06 0.09 -0.04 1.64 1.87 1m9sA1 LEU 97 HG 0.23 -0.13 -0.29 -0.04 1.64 1.41 1m9sA1 LEU 97 HD13 0.21 -0.02 -0.07 -0.04 0.93 1.02 1m9sA1 LEU 97 HD23 0.18 0.12 -0.04 -0.04 0.89 1.11 1m9sA1 PRO 98 HA 0.05 0.06 0.39 -0.51 4.44 4.43 1m9sA1 PRO 98 HB2 0.04 -0.02 0.03 -0.04 2.28 2.29 1m9sA1 PRO 98 HB3 0.05 0.12 0.10 -0.04 2.02 2.24 1m9sA1 PRO 98 HG2 0.06 0.02 -0.04 -0.04 2.03 2.02 1m9sA1 PRO 98 HG3 0.06 0.01 -0.02 -0.04 2.03 2.03 1m9sA1 PRO 98 HD2 0.09 0.16 -0.16 -0.04 3.68 3.73 1m9sA1 PRO 98 HD3 0.11 0.20 -0.27 -0.04 3.65 3.65 1m9sA1 ASN 99 H 0.07 0.12 -0.53 -0.55 8.53 7.64 1m9sA1 ASN 99 HA 0.05 0.18 0.95 -0.75 4.76 5.18 1m9sA1 ASN 99 HB2 0.06 0.23 0.03 -0.04 2.88 3.15 1m9sA1 ASN 99 HB3 0.05 -0.07 0.13 -0.04 2.79 2.86 1m9sA1 ASN 99 HD21 0.04 -0.11 -0.02 -0.04 7.03 6.89 1m9sA1 ASN 99 HD22 0.04 0.40 0.11 -0.04 7.74 8.25 1m9sA1 VAL 100 H 0.08 0.35 -0.18 -0.55 8.24 7.93 1m9sA1 VAL 100 HA 0.10 -0.04 0.58 -0.75 4.13 4.01 1m9sA1 VAL 100 HB 0.09 -0.03 -0.05 -0.04 2.12 2.09 1m9sA1 VAL 100 HG13 0.12 -0.08 -0.29 -0.04 0.97 0.67 1m9sA1 VAL 100 HG23 0.11 0.12 -0.03 -0.04 0.95 1.11 1m9sA1 THR 101 H 0.14 0.82 0.48 -0.55 8.28 9.17 1m9sA1 THR 101 HA 0.12 0.27 0.95 -0.75 4.39 4.97 1m9sA1 THR 101 HB 0.28 -0.09 0.15 -0.04 4.32 4.62 1m9sA1 THR 101 HG23 0.11 0.13 -0.18 -0.04 1.22 1.23 1m9sA1 LYS 102 H 0.18 0.48 0.46 -0.55 8.42 9.00 1m9sA1 LYS 102 HA 0.29 0.14 1.08 -0.75 4.32 5.09 1m9sA1 LYS 102 HB2 0.20 -0.06 0.24 -0.04 1.87 2.21 1m9sA1 LYS 102 HB3 0.40 -0.06 0.07 -0.04 1.79 2.16 1m9sA1 LYS 102 HG2 0.36 0.04 -0.04 -0.04 1.46 1.79 1m9sA1 LYS 102 HG3 0.22 0.04 -0.09 -0.04 1.46 1.59 1m9sA1 LYS 102 HD2 -0.05 -0.01 -0.00 -0.04 1.69 1.58 1m9sA1 LYS 102 HD3 -0.09 -0.04 -0.00 -0.04 1.68 1.50 1m9sA1 LYS 102 HE2 -0.53 -0.02 -0.02 -0.04 2.99 2.39 1m9sA1 LYS 102 HE3 -1.45 0.02 -0.02 -0.04 2.99 1.49 1m9sA1 LEU 103 H -0.14 0.31 0.06 -0.55 8.37 8.06 1m9sA1 LEU 103 HA 0.13 0.20 0.87 -0.75 4.35 4.80 1m9sA1 LEU 103 HB2 0.07 0.10 -0.27 -0.04 1.64 1.50 1m9sA1 LEU 103 HB3 0.02 0.02 0.16 -0.04 1.64 1.80 1m9sA1 LEU 103 HG 0.03 -0.08 -0.18 -0.04 1.64 1.37 1m9sA1 LEU 103 HD13 0.11 0.02 -0.06 -0.04 0.93 0.96 1m9sA1 LEU 103 HD23 0.04 0.00 -0.09 -0.04 0.89 0.80 1m9sA1 PHE 104 H 0.36 0.64 0.27 -0.55 8.34 9.06 1m9sA1 PHE 104 HA 0.12 0.08 1.06 -0.75 4.62 5.13 1m9sA1 PHE 104 HB2 -0.03 -0.02 0.25 -0.04 3.15 3.32 1m9sA1 PHE 104 HB3 -0.02 -0.06 0.03 -0.04 3.06 2.97 1m9sA1 PHE 104 HD2 -0.25 0.04 -0.05 -0.04 7.28 6.98 1m9sA1 PHE 104 HE2 -0.63 0.02 -0.07 -0.04 7.38 6.66 1m9sA1 PHE 104 HZ -0.40 0.06 -0.05 -0.04 7.32 6.89 1m9sA1 LEU 105 H 0.13 0.69 0.16 -0.55 8.37 8.81 1m9sA1 LEU 105 HA 0.09 0.30 0.73 -0.75 4.35 4.71 1m9sA1 LEU 105 HB2 0.03 0.08 0.10 -0.04 1.64 1.81 1m9sA1 LEU 105 HB3 0.01 -0.06 0.15 -0.04 1.64 1.70 1m9sA1 LEU 105 HG 0.05 -0.07 -0.48 -0.04 1.64 1.11 1m9sA1 LEU 105 HD13 -0.07 -0.00 -0.10 -0.04 0.93 0.71 1m9sA1 LEU 105 HD23 0.01 0.02 -0.04 -0.04 0.89 0.84 1m9sA1 ASN 106 H 0.16 0.01 -0.27 -0.55 8.53 7.88 1m9sA1 ASN 106 HA 0.09 0.20 0.29 -0.75 4.76 4.59 1m9sA1 ASN 106 HB2 0.13 0.00 -0.04 -0.04 2.88 2.93 1m9sA1 ASN 106 HB3 0.10 0.03 -0.05 -0.04 2.79 2.83 1m9sA1 ASN 106 HD21 0.51 -0.02 -0.03 -0.04 7.03 7.45 1m9sA1 ASN 106 HD22 0.21 0.08 -0.05 -0.04 7.74 7.94 1m9sA1 GLY 107 H 0.04 0.14 -0.16 -0.55 8.43 7.91 1m9sA1 GLY 107 HA2 0.01 0.14 0.41 -0.51 4.01 4.06 1m9sA1 GLY 107 HA3 0.02 -0.08 0.36 -0.51 4.01 3.80 1m9sA1 ASN 108 H 0.02 0.26 -0.16 -0.55 8.53 8.11 1m9sA1 ASN 108 HA 0.01 0.02 0.95 -0.75 4.76 4.98 1m9sA1 ASN 108 HB2 0.01 0.23 0.09 -0.04 2.88 3.17 1m9sA1 ASN 108 HB3 -0.00 -0.24 0.29 -0.04 2.79 2.79 1m9sA1 ASN 108 HD21 0.02 0.07 -0.03 -0.04 7.03 7.05 1m9sA1 ASN 108 HD22 -0.02 0.04 0.01 -0.04 7.74 7.73 1m9sA1 LYS 109 H -0.00 0.39 0.10 -0.55 8.42 8.36 1m9sA1 LYS 109 HA 0.00 0.21 0.75 -0.75 4.32 4.53 1m9sA1 LYS 109 HB2 0.00 -0.04 -0.18 -0.04 1.87 1.61 1m9sA1 LYS 109 HB3 0.00 -0.01 0.13 -0.04 1.79 1.87 1m9sA1 LYS 109 HG2 0.00 0.13 -0.11 -0.04 1.46 1.45 1m9sA1 LYS 109 HG3 0.01 -0.12 -0.47 -0.04 1.46 0.83 1m9sA1 LYS 109 HD2 0.01 -0.04 -0.15 -0.04 1.69 1.47 1m9sA1 LYS 109 HD3 0.01 0.00 -0.05 -0.04 1.68 1.60 1m9sA1 LYS 109 HE2 0.00 0.05 -0.06 -0.04 2.99 2.95 1m9sA1 LYS 109 HE3 0.01 -0.03 -0.07 -0.04 2.99 2.85 1m9sA1 LEU 110 H -0.00 0.10 0.06 -0.55 8.37 7.98 1m9sA1 LEU 110 HA -0.02 0.26 0.72 -0.75 4.35 4.55 1m9sA1 LEU 110 HB2 -0.01 0.02 0.06 -0.04 1.64 1.67 1m9sA1 LEU 110 HB3 -0.03 0.00 -0.00 -0.04 1.64 1.58 1m9sA1 LEU 110 HG -0.05 0.06 -0.12 -0.04 1.64 1.49 1m9sA1 LEU 110 HD13 -0.05 0.03 -0.03 -0.04 0.93 0.83 1m9sA1 LEU 110 HD23 -0.08 0.05 -0.11 -0.04 0.89 0.71 1m9sA1 THR 111 H -0.01 -0.18 0.33 -0.55 8.28 7.87 1m9sA1 THR 111 HA -0.00 0.31 0.46 -0.75 4.39 4.40 1m9sA1 THR 111 HB -0.00 0.01 0.18 -0.04 4.32 4.47 1m9sA1 THR 111 HG23 -0.00 0.04 -0.21 -0.04 1.22 1.01 1m9sA1 ASP 112 H -0.02 -0.07 0.32 -0.55 8.40 8.08 1m9sA1 ASP 112 HA -0.01 0.18 0.98 -0.75 4.63 5.01 1m9sA1 ASP 112 HB2 -0.01 0.09 0.04 -0.04 2.71 2.79 1m9sA1 ASP 112 HB3 -0.02 -0.00 0.16 -0.04 2.70 2.79 1m9sA1 ILE 113 H -0.02 0.14 0.16 -0.55 8.25 7.98 1m9sA1 ILE 113 HA -0.03 0.18 0.71 -0.75 4.18 4.29 1m9sA1 ILE 113 HB -0.02 0.04 0.10 -0.04 1.89 1.96 1m9sA1 ILE 113 HG12 -0.02 -0.02 -0.08 -0.04 1.49 1.34 1m9sA1 ILE 113 HG13 -0.02 -0.03 -0.24 -0.04 1.21 0.88 1m9sA1 ILE 113 HG23 -0.02 0.01 -0.31 -0.04 0.93 0.57 1m9sA1 ILE 113 HD13 -0.01 0.02 -0.12 -0.04 0.88 0.73 1m9sA1 LYS 114 H -0.02 0.03 0.11 -0.55 8.42 7.98 1m9sA1 LYS 114 HA -0.02 0.09 0.40 -0.75 4.32 4.04 1m9sA1 LYS 114 HB2 -0.02 -0.06 0.13 -0.04 1.87 1.88 1m9sA1 LYS 114 HB3 -0.03 0.08 -0.08 -0.04 1.79 1.72 1m9sA1 LYS 114 HG2 -0.02 0.05 0.03 -0.04 1.46 1.47 1m9sA1 LYS 114 HG3 -0.02 0.07 0.05 -0.04 1.46 1.51 1m9sA1 LYS 114 HD2 -0.02 0.05 -0.00 -0.04 1.69 1.68 1m9sA1 LYS 114 HD3 -0.02 -0.07 -0.00 -0.04 1.68 1.55 1m9sA1 LYS 114 HE2 -0.01 0.02 0.09 -0.04 2.99 3.04 1m9sA1 LYS 114 HE3 -0.02 -0.14 0.14 -0.04 2.99 2.93 1m9sA1 PRO 115 HA -0.05 0.10 0.37 -0.51 4.44 4.35 1m9sA1 PRO 115 HB2 -0.03 0.09 -0.16 -0.04 2.28 2.15 1m9sA1 PRO 115 HB3 -0.03 -0.04 -0.07 -0.04 2.02 1.84 1m9sA1 PRO 115 HG2 -0.03 -0.06 -0.18 -0.04 2.03 1.72 1m9sA1 PRO 115 HG3 -0.03 0.05 -0.04 -0.04 2.03 1.96 1m9sA1 PRO 115 HD2 -0.03 0.04 -0.29 -0.04 3.68 3.35 1m9sA1 PRO 115 HD3 -0.03 0.00 -0.01 -0.04 3.65 3.58 1m9sA1 LEU 116 H -0.02 0.20 -0.33 -0.55 8.37 7.67 1m9sA1 LEU 116 HA -0.00 0.09 0.28 -0.75 4.35 3.96 1m9sA1 LEU 116 HB2 -0.01 0.10 -0.06 -0.04 1.64 1.62 1m9sA1 LEU 116 HB3 -0.00 0.06 -0.03 -0.04 1.64 1.63 1m9sA1 LEU 116 HG -0.02 -0.09 0.02 -0.04 1.64 1.51 1m9sA1 LEU 116 HD13 -0.01 0.00 -0.08 -0.04 0.93 0.80 1m9sA1 LEU 116 HD23 -0.00 -0.01 -0.12 -0.04 0.89 0.72 1m9sA1 THR 117 H -0.02 0.18 -0.49 -0.55 8.28 7.40 1m9sA1 THR 117 HA -0.03 0.22 0.33 -0.75 4.39 4.16 1m9sA1 THR 117 HB -0.03 -0.02 0.09 -0.04 4.32 4.31 1m9sA1 THR 117 HG23 -0.03 -0.02 -0.11 -0.04 1.22 1.02 1m9sA1 ASN 118 H -0.02 0.15 -0.21 -0.55 8.53 7.90 1m9sA1 ASN 118 HA -0.02 0.25 0.98 -0.75 4.76 5.22 1m9sA1 ASN 118 HB2 -0.02 0.05 0.10 -0.04 2.88 2.96 1m9sA1 ASN 118 HB3 -0.01 -0.01 0.23 -0.04 2.79 2.96 1m9sA1 ASN 118 HD21 -0.02 -0.06 -0.02 -0.04 7.03 6.90 1m9sA1 ASN 118 HD22 -0.01 0.02 0.05 -0.04 7.74 7.75 1m9sA1 LEU 119 H -0.01 0.74 -0.16 -0.55 8.37 8.39 1m9sA1 LEU 119 HA 0.02 0.09 0.58 -0.75 4.35 4.28 1m9sA1 LEU 119 HB2 0.01 0.04 0.18 -0.04 1.64 1.83 1m9sA1 LEU 119 HB3 0.03 0.02 0.09 -0.04 1.64 1.74 1m9sA1 LEU 119 HG 0.01 -0.01 -0.01 -0.04 1.64 1.59 1m9sA1 LEU 119 HD13 0.05 -0.03 -0.08 -0.04 0.93 0.82 1m9sA1 LEU 119 HD23 0.03 0.07 -0.12 -0.04 0.89 0.84 1m9sA1 LYS 120 H 0.01 0.51 0.07 -0.55 8.42 8.45 1m9sA1 LYS 120 HA -0.01 0.08 0.35 -0.75 4.32 3.99 1m9sA1 LYS 120 HB2 0.01 -0.02 0.21 -0.04 1.87 2.02 1m9sA1 LYS 120 HB3 -0.00 -0.04 0.02 -0.04 1.79 1.72 1m9sA1 LYS 120 HG2 -0.01 0.04 0.11 -0.04 1.46 1.57 1m9sA1 LYS 120 HG3 -0.00 0.19 0.17 -0.04 1.46 1.78 1m9sA1 LYS 120 HD2 0.00 -0.00 0.08 -0.04 1.69 1.73 1m9sA1 LYS 120 HD3 -0.00 -0.04 0.05 -0.04 1.68 1.64 1m9sA1 LYS 120 HE2 -0.01 -0.00 0.07 -0.04 2.99 3.01 1m9sA1 LYS 120 HE3 -0.00 0.03 0.08 -0.04 2.99 3.06 1m9sA1 ASN 121 H 0.02 0.19 -0.02 -0.55 8.53 8.17 1m9sA1 ASN 121 HA 0.00 0.01 0.32 -0.75 4.76 4.35 1m9sA1 ASN 121 HB2 0.04 0.15 -0.01 -0.04 2.88 3.03 1m9sA1 ASN 121 HB3 0.04 -0.06 0.09 -0.04 2.79 2.82 1m9sA1 ASN 121 HD21 0.03 -0.10 0.04 -0.04 7.03 6.95 1m9sA1 ASN 121 HD22 0.04 0.30 0.17 -0.04 7.74 8.21 1m9sA1 LEU 122 H 0.01 0.32 -0.78 -0.55 8.37 7.38 1m9sA1 LEU 122 HA 0.05 -0.02 0.48 -0.75 4.35 4.11 1m9sA1 LEU 122 HB2 0.02 0.16 0.05 -0.04 1.64 1.84 1m9sA1 LEU 122 HB3 -0.01 -0.04 0.04 -0.04 1.64 1.59 1m9sA1 LEU 122 HG 0.00 -0.09 -0.30 -0.04 1.64 1.21 1m9sA1 LEU 122 HD13 0.07 0.01 -0.26 -0.04 0.93 0.71 1m9sA1 LEU 122 HD23 0.01 -0.03 -0.09 -0.04 0.89 0.74 1m9sA1 GLY 123 H 0.05 0.57 0.50 -0.55 8.43 9.01 1m9sA1 GLY 123 HA2 -0.32 0.27 0.95 -0.51 4.01 4.41 1m9sA1 GLY 123 HA3 -0.53 0.02 0.40 -0.51 4.01 3.39 1m9sA1 TRP 124 H 0.20 0.72 0.51 -0.55 7.97 8.85 1m9sA1 TRP 124 HA 0.06 0.16 1.05 -0.75 4.62 5.13 1m9sA1 TRP 124 HB2 -0.04 -0.03 0.29 -0.04 3.23 3.40 1m9sA1 TRP 124 HB3 -0.19 -0.09 0.07 -0.04 3.23 2.99 1m9sA1 TRP 124 HD1 0.20 -0.06 0.05 -0.04 7.22 7.37 1m9sA1 TRP 124 HE1 0.11 -0.00 -0.02 -0.04 10.20 10.25 1m9sA1 TRP 124 HE3 0.05 0.07 -0.08 -0.04 7.59 7.59 1m9sA1 TRP 124 HZ2 0.06 0.00 -0.01 -0.04 7.44 7.45 1m9sA1 TRP 124 HZ3 0.04 0.04 -0.02 -0.04 7.13 7.16 1m9sA1 TRP 124 HH2 0.04 0.02 -0.01 -0.04 7.19 7.20 1m9sA1 LEU 125 H 0.23 0.44 0.17 -0.55 8.37 8.66 1m9sA1 LEU 125 HA -0.00 0.24 0.86 -0.75 4.35 4.70 1m9sA1 LEU 125 HB2 0.02 0.12 -0.21 -0.04 1.64 1.53 1m9sA1 LEU 125 HB3 0.02 0.03 0.04 -0.04 1.64 1.69 1m9sA1 LEU 125 HG 0.01 -0.11 -0.12 -0.04 1.64 1.38 1m9sA1 LEU 125 HD13 0.02 0.02 -0.17 -0.04 0.93 0.76 1m9sA1 LEU 125 HD23 -0.00 0.01 -0.11 -0.04 0.89 0.74 1m9sA1 PHE 126 H 0.03 0.53 0.29 -0.55 8.34 8.64 1m9sA1 PHE 126 HA -0.00 0.09 1.01 -0.75 4.62 4.96 1m9sA1 PHE 126 HB2 -0.11 -0.02 0.21 -0.04 3.15 3.19 1m9sA1 PHE 126 HB3 0.06 -0.09 0.03 -0.04 3.06 3.02 1m9sA1 PHE 126 HD2 -0.03 -0.11 -0.28 -0.04 7.28 6.83 1m9sA1 PHE 126 HE2 0.12 0.03 -0.11 -0.04 7.38 7.38 1m9sA1 PHE 126 HZ 0.21 0.04 -0.10 -0.04 7.32 7.43 1m9sA1 LEU 127 H -0.01 0.52 0.18 -0.55 8.37 8.52 1m9sA1 LEU 127 HA 0.06 0.17 0.57 -0.75 4.35 4.40 1m9sA1 LEU 127 HB2 0.00 0.10 0.09 -0.04 1.64 1.79 1m9sA1 LEU 127 HB3 0.01 -0.05 0.10 -0.04 1.64 1.67 1m9sA1 LEU 127 HG 0.02 -0.05 -0.70 -0.04 1.64 0.87 1m9sA1 LEU 127 HD13 -0.00 -0.01 -0.14 -0.04 0.93 0.73 1m9sA1 LEU 127 HD23 0.02 0.02 0.00 -0.04 0.89 0.89 1m9sA1 ASP 128 H 0.08 -0.06 -0.10 -0.55 8.40 7.77 1m9sA1 ASP 128 HA 0.04 0.29 0.27 -0.75 4.63 4.48 1m9sA1 ASP 128 HB2 0.08 -0.10 0.01 -0.04 2.71 2.66 1m9sA1 ASP 128 HB3 0.08 0.03 0.07 -0.04 2.70 2.84 1m9sA1 GLU 129 H 0.11 0.23 0.10 -0.55 8.60 8.49 1m9sA1 GLU 129 HA 0.05 0.21 0.48 -0.75 4.29 4.27 1m9sA1 GLU 129 HB2 0.01 -0.29 0.08 -0.04 2.09 1.85 1m9sA1 GLU 129 HB3 -0.03 0.10 0.22 -0.04 1.99 2.24 1m9sA1 GLU 129 HG2 0.01 -0.11 0.02 -0.04 2.34 2.22 1m9sA1 GLU 129 HG3 -0.04 -0.01 0.03 -0.04 2.34 2.27 1m9sA1 ASN 130 H 0.05 0.30 -0.06 -0.55 8.53 8.27 1m9sA1 ASN 130 HA 0.01 0.15 0.61 -0.75 4.76 4.78 1m9sA1 ASN 130 HB2 0.02 0.25 -0.17 -0.04 2.88 2.94 1m9sA1 ASN 130 HB3 0.01 -0.12 0.07 -0.04 2.79 2.71 1m9sA1 ASN 130 HD21 0.01 0.00 0.02 -0.04 7.03 7.03 1m9sA1 ASN 130 HD22 0.02 0.04 -0.10 -0.04 7.74 7.66 1m9sA1 LYS 131 H 0.01 0.60 0.11 -0.55 8.42 8.58 1m9sA1 LYS 131 HA 0.01 0.27 0.84 -0.75 4.32 4.69 1m9sA1 LYS 131 HB2 0.01 0.02 0.10 -0.04 1.87 1.96 1m9sA1 LYS 131 HB3 0.01 -0.06 0.18 -0.04 1.79 1.88 1m9sA1 LYS 131 HG2 0.02 0.11 -0.07 -0.04 1.46 1.47 1m9sA1 LYS 131 HG3 0.01 -0.03 -0.42 -0.04 1.46 0.98 1m9sA1 LYS 131 HD2 0.01 -0.03 -0.05 -0.04 1.69 1.58 1m9sA1 LYS 131 HD3 0.01 -0.03 -0.02 -0.04 1.68 1.60 1m9sA1 LYS 131 HE2 0.01 0.02 -0.06 -0.04 2.99 2.92 1m9sA1 LYS 131 HE3 0.01 0.02 -0.08 -0.04 2.99 2.90 1m9sA1 ILE 132 H 0.01 0.17 -0.12 -0.55 8.25 7.76 1m9sA1 ILE 132 HA -0.00 0.12 0.70 -0.75 4.18 4.24 1m9sA1 ILE 132 HB -0.00 0.05 -0.03 -0.04 1.89 1.87 1m9sA1 ILE 132 HG12 -0.01 -0.11 -0.50 -0.04 1.49 0.84 1m9sA1 ILE 132 HG13 0.00 -0.02 -0.23 -0.04 1.21 0.92 1m9sA1 ILE 132 HG23 -0.01 -0.02 -0.32 -0.04 0.93 0.55 1m9sA1 ILE 132 HD13 -0.01 0.02 -0.15 -0.04 0.88 0.70 1m9sA1 LYS 133 H -0.00 0.07 0.21 -0.55 8.42 8.14 1m9sA1 LYS 133 HA -0.00 0.22 0.92 -0.75 4.32 4.69 1m9sA1 LYS 133 HB2 -0.00 -0.01 0.07 -0.04 1.87 1.89 1m9sA1 LYS 133 HB3 -0.00 -0.10 0.08 -0.04 1.79 1.73 1m9sA1 LYS 133 HG2 0.00 0.20 -0.36 -0.04 1.46 1.27 1m9sA1 LYS 133 HG3 0.00 0.07 -0.32 -0.04 1.46 1.17 1m9sA1 LYS 133 HD2 -0.00 -0.16 0.07 -0.04 1.69 1.55 1m9sA1 LYS 133 HD3 0.00 0.22 0.03 -0.04 1.68 1.89 1m9sA1 LYS 133 HE2 0.00 0.04 0.00 -0.04 2.99 2.99 1m9sA1 LYS 133 HE3 -0.00 -0.09 0.02 -0.04 2.99 2.88 1m9sA1 ASP 134 H -0.01 0.11 0.18 -0.55 8.40 8.14 1m9sA1 ASP 134 HA -0.00 0.10 0.72 -0.75 4.63 4.69 1m9sA1 ASP 134 HB2 -0.01 0.08 0.15 -0.04 2.71 2.89 1m9sA1 ASP 134 HB3 -0.01 -0.00 0.24 -0.04 2.70 2.89 1m9sA1 LEU 135 H -0.00 0.23 0.18 -0.55 8.37 8.24 1m9sA1 LEU 135 HA -0.01 0.22 0.59 -0.75 4.35 4.40 1m9sA1 LEU 135 HB2 0.01 -0.07 -0.05 -0.04 1.64 1.49 1m9sA1 LEU 135 HB3 0.00 0.06 0.01 -0.04 1.64 1.67 1m9sA1 LEU 135 HG -0.00 0.18 0.02 -0.04 1.64 1.79 1m9sA1 LEU 135 HD13 -0.01 -0.03 0.00 -0.04 0.93 0.85 1m9sA1 LEU 135 HD23 -0.01 0.02 -0.31 -0.04 0.89 0.54 1m9sA1 SER 136 H -0.00 0.09 -0.17 -0.55 8.46 7.83 1m9sA1 SER 136 HA -0.01 0.09 0.28 -0.75 4.49 4.10 1m9sA1 SER 136 HB2 -0.03 0.09 0.12 -0.04 3.95 4.09 1m9sA1 SER 136 HB3 -0.01 -0.03 0.09 -0.04 3.93 3.94 1m9sA1 SER 137 H -0.02 0.01 -1.20 -0.55 8.46 6.71 1m9sA1 SER 137 HA -0.03 0.18 0.63 -0.75 4.49 4.51 1m9sA1 SER 137 HB2 -0.02 0.06 -0.18 -0.04 3.95 3.76 1m9sA1 SER 137 HB3 -0.02 0.07 -0.04 -0.04 3.93 3.90 1m9sA1 LEU 138 H -0.02 0.67 0.01 -0.55 8.37 8.48 1m9sA1 LEU 138 HA -0.02 0.24 0.62 -0.75 4.35 4.43 1m9sA1 LEU 138 HB2 0.00 0.01 -0.09 -0.04 1.64 1.51 1m9sA1 LEU 138 HB3 -0.01 0.05 0.01 -0.04 1.64 1.65 1m9sA1 LEU 138 HG -0.01 -0.08 -0.01 -0.04 1.64 1.50 1m9sA1 LEU 138 HD13 -0.01 -0.02 -0.10 -0.04 0.93 0.76 1m9sA1 LEU 138 HD23 -0.01 0.02 -0.16 -0.04 0.89 0.69 1m9sA1 LYS 139 H -0.05 0.10 -0.33 -0.55 8.42 7.58 1m9sA1 LYS 139 HA -0.00 0.09 0.15 -0.75 4.32 3.81 1m9sA1 LYS 139 HB2 -0.52 0.02 0.08 -0.04 1.87 1.40 1m9sA1 LYS 139 HB3 -0.24 -0.09 0.05 -0.04 1.79 1.47 1m9sA1 LYS 139 HG2 -0.13 0.13 -0.03 -0.04 1.46 1.38 1m9sA1 LYS 139 HG3 -0.15 0.07 -0.26 -0.04 1.46 1.08 1m9sA1 LYS 139 HD2 -0.30 -0.07 0.01 -0.04 1.69 1.28 1m9sA1 LYS 139 HD3 -0.16 -0.00 -0.02 -0.04 1.68 1.45 1m9sA1 LYS 139 HE2 -0.22 0.03 -0.07 -0.04 2.99 2.69 1m9sA1 LYS 139 HE3 -0.76 0.01 -0.01 -0.04 2.99 2.19 1m9sA1 ASP 140 H -0.05 0.15 -0.56 -0.55 8.40 7.40 1m9sA1 ASP 140 HA -0.04 0.22 0.98 -0.75 4.63 5.04 1m9sA1 ASP 140 HB2 -0.04 0.06 0.04 -0.04 2.71 2.72 1m9sA1 ASP 140 HB3 -0.03 0.02 0.21 -0.04 2.70 2.86 1m9sA1 LEU 141 H -0.03 0.47 -0.33 -0.55 8.37 7.94 1m9sA1 LEU 141 HA -0.03 0.24 0.83 -0.75 4.35 4.63 1m9sA1 LEU 141 HB2 -0.03 0.00 0.19 -0.04 1.64 1.76 1m9sA1 LEU 141 HB3 -0.03 0.06 0.13 -0.04 1.64 1.75 1m9sA1 LEU 141 HG -0.02 -0.08 -0.10 -0.04 1.64 1.40 1m9sA1 LEU 141 HD13 -0.02 -0.04 -0.09 -0.04 0.93 0.74 1m9sA1 LEU 141 HD23 -0.02 0.11 -0.33 -0.04 0.89 0.62 1m9sA1 LYS 142 H -0.03 0.26 -0.29 -0.55 8.42 7.81 1m9sA1 LYS 142 HA -0.03 0.10 0.36 -0.75 4.32 3.99 1m9sA1 LYS 142 HB2 -0.02 0.01 0.01 -0.04 1.87 1.83 1m9sA1 LYS 142 HB3 -0.02 -0.02 0.13 -0.04 1.79 1.84 1m9sA1 LYS 142 HG2 -0.02 -0.01 -0.05 -0.04 1.46 1.34 1m9sA1 LYS 142 HG3 -0.01 -0.05 0.03 -0.04 1.46 1.39 1m9sA1 LYS 142 HD2 -0.00 -0.07 0.05 -0.04 1.69 1.63 1m9sA1 LYS 142 HD3 -0.01 0.06 -0.04 -0.04 1.68 1.65 1m9sA1 LYS 142 HE2 -0.01 0.16 0.18 -0.04 2.99 3.27 1m9sA1 LYS 142 HE3 0.00 -0.12 0.06 -0.04 2.99 2.89 1m9sA1 LYS 143 H -0.05 0.18 -0.56 -0.55 8.42 7.43 1m9sA1 LYS 143 HA -0.08 0.15 0.84 -0.75 4.32 4.47 1m9sA1 LYS 143 HB2 -0.06 0.28 -0.06 -0.04 1.87 1.99 1m9sA1 LYS 143 HB3 -0.08 -0.07 0.05 -0.04 1.79 1.65 1m9sA1 LYS 143 HG2 -0.04 -0.02 -0.13 -0.04 1.46 1.24 1m9sA1 LYS 143 HG3 -0.03 -0.11 -0.24 -0.04 1.46 1.04 1m9sA1 LYS 143 HD2 -0.01 -0.08 -0.11 -0.04 1.69 1.44 1m9sA1 LYS 143 HD3 -0.02 0.09 -0.21 -0.04 1.68 1.50 1m9sA1 LYS 143 HE2 -0.03 0.07 -0.04 -0.04 2.99 2.95 1m9sA1 LYS 143 HE3 -0.01 -0.05 -0.03 -0.04 2.99 2.85 1m9sA1 LEU 144 H -0.09 0.36 -0.10 -0.55 8.37 8.00 1m9sA1 LEU 144 HA -0.20 0.02 0.51 -0.75 4.35 3.93 1m9sA1 LEU 144 HB2 -0.07 0.14 0.13 -0.04 1.64 1.79 1m9sA1 LEU 144 HB3 -0.08 -0.05 0.08 -0.04 1.64 1.55 1m9sA1 LEU 144 HG -0.09 -0.09 -0.35 -0.04 1.64 1.06 1m9sA1 LEU 144 HD13 -0.08 -0.00 -0.31 -0.04 0.93 0.50 1m9sA1 LEU 144 HD23 -0.04 -0.03 -0.09 -0.04 0.89 0.68 1m9sA1 LYS 145 H -0.45 0.57 0.47 -0.55 8.42 8.46 1m9sA1 LYS 145 HA -0.18 0.26 0.88 -0.75 4.32 4.53 1m9sA1 LYS 145 HB2 -0.75 -0.01 0.21 -0.04 1.87 1.28 1m9sA1 LYS 145 HB3 -0.21 -0.10 0.08 -0.04 1.79 1.52 1m9sA1 LYS 145 HG2 -0.22 0.04 -0.03 -0.04 1.46 1.20 1m9sA1 LYS 145 HG3 -0.48 0.25 0.10 -0.04 1.46 1.30 1m9sA1 LYS 145 HD2 -0.93 -0.06 0.04 -0.04 1.69 0.69 1m9sA1 LYS 145 HD3 -0.14 -0.07 0.02 -0.04 1.68 1.46 1m9sA1 LYS 145 HE2 -0.11 0.01 0.01 -0.04 2.99 2.85 1m9sA1 LYS 145 HE3 -0.30 0.10 0.04 -0.04 2.99 2.79 1m9sA1 SER 146 H -0.31 0.48 0.36 -0.55 8.46 8.44 1m9sA1 SER 146 HA 0.01 0.24 1.13 -0.75 4.49 5.11 1m9sA1 SER 146 HB2 0.26 0.04 -0.02 -0.04 3.95 4.18 1m9sA1 SER 146 HB3 0.41 -0.05 0.21 -0.04 3.93 4.46 1m9sA1 LEU 147 H -0.05 0.75 0.37 -0.55 8.37 8.90 1m9sA1 LEU 147 HA -0.03 0.30 1.06 -0.75 4.35 4.93 1m9sA1 LEU 147 HB2 -0.05 0.09 -0.10 -0.04 1.64 1.54 1m9sA1 LEU 147 HB3 -0.07 -0.04 0.13 -0.04 1.64 1.62 1m9sA1 LEU 147 HG -0.05 -0.12 -0.33 -0.04 1.64 1.11 1m9sA1 LEU 147 HD13 -0.03 0.04 0.03 -0.04 0.93 0.93 1m9sA1 LEU 147 HD23 -0.04 -0.00 -0.11 -0.04 0.89 0.70 1m9sA1 SER 148 H -0.16 0.67 0.35 -0.55 8.46 8.77 1m9sA1 SER 148 HA -0.01 0.10 1.12 -0.75 4.49 4.95 1m9sA1 SER 148 HB2 -1.27 0.07 -0.12 -0.04 3.95 2.59 1m9sA1 SER 148 HB3 -0.64 -0.20 0.21 -0.04 3.93 3.26 1m9sA1 LEU 149 H -0.01 0.75 0.28 -0.55 8.37 8.84 1m9sA1 LEU 149 HA -0.01 0.20 0.55 -0.75 4.35 4.33 1m9sA1 LEU 149 HB2 -0.02 0.03 -0.02 -0.04 1.64 1.58 1m9sA1 LEU 149 HB3 -0.01 -0.02 0.11 -0.04 1.64 1.68 1m9sA1 LEU 149 HG -0.03 -0.01 -0.41 -0.04 1.64 1.16 1m9sA1 LEU 149 HD13 -0.02 -0.01 -0.14 -0.04 0.93 0.72 1m9sA1 LEU 149 HD23 -0.01 0.03 -0.04 -0.04 0.89 0.83 1m9sA1 GLU 150 H -0.01 -0.06 -0.01 -0.55 8.60 7.98 1m9sA1 GLU 150 HA -0.04 0.19 0.27 -0.75 4.29 3.96 1m9sA1 GLU 150 HB2 0.03 -0.12 0.08 -0.04 2.09 2.03 1m9sA1 GLU 150 HB3 -0.03 0.15 0.06 -0.04 1.99 2.13 1m9sA1 GLU 150 HG2 -0.01 -0.15 -0.01 -0.04 2.34 2.13 1m9sA1 GLU 150 HG3 0.02 -0.08 -0.05 -0.04 2.34 2.19 1m9sA1 HIS 151 H -0.16 0.56 0.30 -0.55 8.41 8.57 1m9sA1 HIS 151 HA 0.00 0.30 0.60 -0.75 4.63 4.78 1m9sA1 HIS 151 HB2 0.00 -0.19 -0.07 -0.04 3.26 2.97 1m9sA1 HIS 151 HB3 0.01 0.03 0.38 -0.04 3.20 3.57 1m9sA1 HIS 151 HD2 0.00 -0.10 -0.06 -0.04 6.97 6.77 1m9sA1 HIS 151 HE1 0.01 0.00 0.05 -0.04 7.75 7.77 1m9sA1 ASN 152 H 0.02 0.10 0.04 -0.55 8.53 8.14 1m9sA1 ASN 152 HA 0.04 0.65 1.01 -0.75 4.76 5.71 1m9sA1 ASN 152 HB2 0.01 0.07 0.04 -0.04 2.88 2.96 1m9sA1 ASN 152 HB3 0.01 0.15 0.09 -0.04 2.79 3.00 1m9sA1 ASN 152 HD21 0.03 0.51 -0.10 -0.04 7.03 7.43 1m9sA1 ASN 152 HD22 0.04 0.13 -0.65 -0.04 7.74 7.22 1m9sA1 GLY 153 H 0.03 0.11 0.03 -0.55 8.43 8.05 1m9sA1 GLY 153 HA2 0.01 0.01 0.31 -0.51 4.01 3.83 1m9sA1 GLY 153 HA3 0.02 0.10 0.38 -0.51 4.01 4.00 1m9sA1 ILE 154 H -0.01 -0.00 -0.05 -0.55 8.25 7.64 1m9sA1 ILE 154 HA -0.01 0.20 0.69 -0.75 4.18 4.32 1m9sA1 ILE 154 HB -0.02 -0.05 -0.01 -0.04 1.89 1.76 1m9sA1 ILE 154 HG12 -0.01 0.13 0.02 -0.04 1.49 1.60 1m9sA1 ILE 154 HG13 -0.00 -0.08 -0.23 -0.04 1.21 0.85 1m9sA1 ILE 154 HG23 -0.01 -0.02 -0.16 -0.04 0.93 0.69 1m9sA1 ILE 154 HD13 -0.01 0.01 -0.05 -0.04 0.88 0.79 1m9sA1 SER 155 H -0.01 -0.03 0.22 -0.55 8.46 8.09 1m9sA1 SER 155 HA -0.02 0.13 0.46 -0.75 4.49 4.30 1m9sA1 SER 155 HB2 -0.02 0.04 0.12 -0.04 3.95 4.05 1m9sA1 SER 155 HB3 -0.01 0.09 -0.13 -0.04 3.93 3.83 1m9sA1 ASP 156 H -0.01 0.06 0.23 -0.55 8.40 8.13 1m9sA1 ASP 156 HA -0.02 0.15 0.94 -0.75 4.63 4.95 1m9sA1 ASP 156 HB2 -0.01 0.08 0.11 -0.04 2.71 2.84 1m9sA1 ASP 156 HB3 -0.01 0.06 0.24 -0.04 2.70 2.95 1m9sA1 ILE 157 H -0.02 0.22 0.18 -0.55 8.25 8.07 1m9sA1 ILE 157 HA -0.02 0.27 0.99 -0.75 4.18 4.67 1m9sA1 ILE 157 HB -0.03 0.01 0.11 -0.04 1.89 1.94 1m9sA1 ILE 157 HG12 -0.03 0.06 0.01 -0.04 1.49 1.49 1m9sA1 ILE 157 HG13 -0.03 -0.05 -0.16 -0.04 1.21 0.93 1m9sA1 ILE 157 HG23 -0.02 0.03 -0.32 -0.04 0.93 0.57 1m9sA1 ILE 157 HD13 -0.04 0.01 -0.09 -0.04 0.88 0.72 1m9sA1 ASN 158 H -0.02 0.14 0.02 -0.55 8.53 8.13 1m9sA1 ASN 158 HA -0.04 0.06 0.34 -0.75 4.76 4.36 1m9sA1 ASN 158 HB2 -0.01 0.03 0.02 -0.04 2.88 2.87 1m9sA1 ASN 158 HB3 -0.03 0.09 0.09 -0.04 2.79 2.91 1m9sA1 ASN 158 HD21 -0.02 0.05 0.07 -0.04 7.03 7.09 1m9sA1 ASN 158 HD22 -0.01 0.02 0.05 -0.04 7.74 7.76 1m9sA1 GLY 159 H -0.00 0.00 -0.68 -0.55 8.43 7.21 1m9sA1 GLY 159 HA2 0.10 0.14 0.35 -0.51 4.01 4.09 1m9sA1 GLY 159 HA3 0.05 -0.02 0.13 -0.51 4.01 3.66 1m9sA1 LEU 160 H -0.01 0.34 -0.17 -0.55 8.37 7.97 1m9sA1 LEU 160 HA 0.00 0.10 0.23 -0.75 4.35 3.92 1m9sA1 LEU 160 HB2 -0.04 0.05 -0.05 -0.04 1.64 1.55 1m9sA1 LEU 160 HB3 -0.04 0.05 -0.02 -0.04 1.64 1.59 1m9sA1 LEU 160 HG -0.02 -0.08 0.04 -0.04 1.64 1.54 1m9sA1 LEU 160 HD13 -0.04 -0.00 -0.08 -0.04 0.93 0.77 1m9sA1 LEU 160 HD23 -0.02 0.01 -0.10 -0.04 0.89 0.74 1m9sA1 VAL 161 H -0.10 0.21 -0.78 -0.55 8.24 7.01 1m9sA1 VAL 161 HA -0.11 0.05 0.22 -0.75 4.13 3.54 1m9sA1 VAL 161 HB -0.15 -0.08 0.08 -0.04 2.12 1.93 1m9sA1 VAL 161 HG13 -0.58 0.03 -0.11 -0.04 0.97 0.27 1m9sA1 VAL 161 HG23 -0.16 0.00 0.06 -0.04 0.95 0.81 1m9sA1 HIS 162 H -0.05 0.31 -0.62 -0.55 8.41 7.50 1m9sA1 HIS 162 HA -0.02 0.12 0.66 -0.75 4.63 4.63 1m9sA1 HIS 162 HB2 -0.03 -0.01 -0.01 -0.04 3.26 3.18 1m9sA1 HIS 162 HB3 -0.02 0.13 0.21 -0.04 3.20 3.48 1m9sA1 HIS 162 HD2 -0.02 0.11 0.08 -0.04 6.97 7.10 1m9sA1 HIS 162 HE1 -0.02 -0.02 -0.03 -0.04 7.75 7.64 1m9sA1 LEU 163 H -0.01 0.58 -0.31 -0.55 8.37 8.07 1m9sA1 LEU 163 HA -0.00 0.26 0.89 -0.75 4.35 4.74 1m9sA1 LEU 163 HB2 -0.03 0.04 0.10 -0.04 1.64 1.71 1m9sA1 LEU 163 HB3 -0.04 -0.03 0.14 -0.04 1.64 1.67 1m9sA1 LEU 163 HG -0.02 -0.11 -0.11 -0.04 1.64 1.37 1m9sA1 LEU 163 HD13 -0.02 0.09 -0.11 -0.04 0.93 0.85 1m9sA1 LEU 163 HD23 0.04 -0.09 -0.54 -0.04 0.89 0.26 1m9sA1 PRO 164 HA -0.04 -0.01 0.24 -0.51 4.44 4.12 1m9sA1 PRO 164 HB2 -0.02 0.03 -0.02 -0.04 2.28 2.22 1m9sA1 PRO 164 HB3 -0.03 0.02 0.05 -0.04 2.02 2.02 1m9sA1 PRO 164 HG2 -0.02 0.03 -0.04 -0.04 2.03 1.96 1m9sA1 PRO 164 HG3 -0.01 0.02 -0.01 -0.04 2.03 1.99 1m9sA1 PRO 164 HD2 0.01 0.43 -0.70 -0.04 3.68 3.37 1m9sA1 PRO 164 HD3 -0.02 0.23 -0.20 -0.04 3.65 3.62 1m9sA1 GLN 165 H -0.03 0.09 -0.59 -0.55 8.47 7.39 1m9sA1 GLN 165 HA -0.04 0.13 0.69 -0.75 4.36 4.38 1m9sA1 GLN 165 HB2 -0.04 -0.03 0.08 -0.04 2.15 2.12 1m9sA1 GLN 165 HB3 -0.03 -0.08 0.00 -0.04 2.02 1.87 1m9sA1 GLN 165 HG2 -0.07 0.14 -0.39 -0.04 2.40 2.03 1m9sA1 GLN 165 HG3 -0.06 0.15 -0.10 -0.04 2.39 2.34 1m9sA1 GLN 165 HE21 -0.04 -0.05 -0.03 -0.04 6.97 6.80 1m9sA1 GLN 165 HE22 -0.07 0.24 -0.13 -0.04 7.69 7.69 1m9sA1 LEU 166 H -0.05 0.47 -0.16 -0.55 8.37 8.08 1m9sA1 LEU 166 HA -0.08 0.18 0.41 -0.75 4.35 4.11 1m9sA1 LEU 166 HB2 -0.06 0.21 0.09 -0.04 1.64 1.84 1m9sA1 LEU 166 HB3 -0.07 -0.12 -0.19 -0.04 1.64 1.22 1m9sA1 LEU 166 HG -0.08 -0.09 -0.11 -0.04 1.64 1.32 1m9sA1 LEU 166 HD13 -0.09 0.15 -0.41 -0.04 0.93 0.55 1m9sA1 LEU 166 HD23 -0.05 -0.02 -0.05 -0.04 0.89 0.72 1m9sA1 GLU 167 H -0.06 0.75 0.47 -0.55 8.60 9.21 1m9sA1 GLU 167 HA -0.03 0.32 0.83 -0.75 4.29 4.65 1m9sA1 GLU 167 HB2 -0.01 0.01 0.15 -0.04 2.09 2.20 1m9sA1 GLU 167 HB3 0.02 -0.13 0.14 -0.04 1.99 1.97 1m9sA1 GLU 167 HG2 -0.02 0.17 0.00 -0.04 2.34 2.46 1m9sA1 GLU 167 HG3 -0.04 0.21 -0.11 -0.04 2.34 2.35 1m9sA1 SER 168 H -0.06 0.39 0.42 -0.55 8.46 8.67 1m9sA1 SER 168 HA -0.15 0.26 0.94 -0.75 4.49 4.79 1m9sA1 SER 168 HB2 0.10 -0.03 0.15 -0.04 3.95 4.13 1m9sA1 SER 168 HB3 -0.08 -0.06 -0.00 -0.04 3.93 3.75 1m9sA1 LEU 169 H -0.39 0.45 0.22 -0.55 8.37 8.10 1m9sA1 LEU 169 HA -0.23 0.27 1.00 -0.75 4.35 4.64 1m9sA1 LEU 169 HB2 -0.13 0.08 -0.13 -0.04 1.64 1.43 1m9sA1 LEU 169 HB3 -0.15 0.01 0.12 -0.04 1.64 1.58 1m9sA1 LEU 169 HG -0.10 -0.08 -0.29 -0.04 1.64 1.13 1m9sA1 LEU 169 HD13 -0.07 0.02 -0.05 -0.04 0.93 0.79 1m9sA1 LEU 169 HD23 -0.07 0.00 -0.10 -0.04 0.89 0.68 1m9sA1 TYR 170 H -0.08 0.59 0.32 -0.55 8.29 8.57 1m9sA1 TYR 170 HA -0.04 0.16 1.18 -0.75 4.56 5.11 1m9sA1 TYR 170 HB2 -0.18 -0.16 0.32 -0.04 3.06 3.00 1m9sA1 TYR 170 HB3 -0.09 -0.05 0.11 -0.04 2.98 2.90 1m9sA1 TYR 170 HD2 -0.19 0.03 -0.09 -0.04 7.15 6.86 1m9sA1 TYR 170 HE2 0.04 0.02 -0.14 -0.04 6.85 6.74 1m9sA1 LEU 171 H 0.03 0.72 0.24 -0.55 8.37 8.81 1m9sA1 LEU 171 HA -0.01 0.13 0.62 -0.75 4.35 4.34 1m9sA1 LEU 171 HB2 -0.02 0.11 0.03 -0.04 1.64 1.72 1m9sA1 LEU 171 HB3 -0.03 -0.05 0.07 -0.04 1.64 1.59 1m9sA1 LEU 171 HG -0.04 -0.08 -0.55 -0.04 1.64 0.93 1m9sA1 LEU 171 HD13 -0.04 0.00 -0.14 -0.04 0.93 0.71 1m9sA1 LEU 171 HD23 -0.03 0.01 -0.12 -0.04 0.89 0.71 1m9sA1 GLY 172 H 0.02 -0.04 -0.06 -0.55 8.43 7.80 1m9sA1 GLY 172 HA2 -0.04 0.20 0.21 -0.51 4.01 3.87 1m9sA1 GLY 172 HA3 -0.04 -0.06 0.25 -0.51 4.01 3.65 1m9sA1 ASN 173 H -0.09 0.83 0.36 -0.55 8.53 9.08 1m9sA1 ASN 173 HA -0.12 0.41 0.69 -0.75 4.76 4.98 1m9sA1 ASN 173 HB2 -0.86 -0.06 0.25 -0.04 2.88 2.18 1m9sA1 ASN 173 HB3 -0.53 -0.01 0.25 -0.04 2.79 2.46 1m9sA1 ASN 173 HD21 -0.02 -0.06 0.00 -0.04 7.03 6.92 1m9sA1 ASN 173 HD22 -0.07 0.07 0.12 -0.04 7.74 7.82 1m9sA1 ASN 174 H -0.07 0.36 0.31 -0.55 8.53 8.58 1m9sA1 ASN 174 HA -0.03 -0.01 0.82 -0.75 4.76 4.78 1m9sA1 ASN 174 HB2 -0.04 0.12 0.04 -0.04 2.88 2.95 1m9sA1 ASN 174 HB3 -0.03 0.09 0.26 -0.04 2.79 3.06 1m9sA1 ASN 174 HD21 -0.03 0.08 -0.25 -0.04 7.03 6.79 1m9sA1 ASN 174 HD22 -0.05 0.64 -0.37 -0.04 7.74 7.92 1m9sA1 LYS 175 H -0.02 0.90 0.23 -0.55 8.42 8.97 1m9sA1 LYS 175 HA -0.03 0.18 0.90 -0.75 4.32 4.62 1m9sA1 LYS 175 HB2 -0.01 0.04 -0.02 -0.04 1.87 1.84 1m9sA1 LYS 175 HB3 -0.01 -0.03 0.17 -0.04 1.79 1.87 1m9sA1 LYS 175 HG2 -0.00 0.06 -0.09 -0.04 1.46 1.39 1m9sA1 LYS 175 HG3 -0.00 -0.10 -0.31 -0.04 1.46 1.00 1m9sA1 LYS 175 HD2 0.00 0.03 -0.11 -0.04 1.69 1.57 1m9sA1 LYS 175 HD3 0.00 -0.02 -0.03 -0.04 1.68 1.59 1m9sA1 LYS 175 HE2 0.01 0.01 -0.05 -0.04 2.99 2.92 1m9sA1 LYS 175 HE3 0.01 -0.01 -0.06 -0.04 2.99 2.89 1m9sA1 ILE 176 H -0.05 0.12 -0.09 -0.55 8.25 7.68 1m9sA1 ILE 176 HA -0.04 0.17 0.70 -0.75 4.18 4.26 1m9sA1 ILE 176 HB -0.05 0.02 -0.01 -0.04 1.89 1.80 1m9sA1 ILE 176 HG12 -0.03 -0.02 -0.27 -0.04 1.49 1.13 1m9sA1 ILE 176 HG13 -0.04 -0.05 -0.03 -0.04 1.21 1.06 1m9sA1 ILE 176 HG23 -0.04 0.00 -0.25 -0.04 0.93 0.60 1m9sA1 ILE 176 HD13 -0.03 0.02 -0.11 -0.04 0.88 0.72 1m9sA1 THR 177 H -0.04 0.07 0.27 -0.55 8.28 8.02 1m9sA1 THR 177 HA -0.09 0.29 0.70 -0.75 4.39 4.53 1m9sA1 THR 177 HB -0.05 0.01 0.10 -0.04 4.32 4.34 1m9sA1 THR 177 HG23 -0.06 0.07 -0.10 -0.04 1.22 1.09 1m9sA1 ASP 178 H -0.04 0.08 0.21 -0.55 8.40 8.10 1m9sA1 ASP 178 HA -0.03 0.19 1.06 -0.75 4.63 5.09 1m9sA1 ASP 178 HB2 -0.02 0.10 0.04 -0.04 2.71 2.78 1m9sA1 ASP 178 HB3 -0.03 0.02 0.24 -0.04 2.70 2.89 1m9sA1 ILE 179 H -0.03 0.31 0.09 -0.55 8.25 8.06 1m9sA1 ILE 179 HA -0.04 0.17 0.81 -0.75 4.18 4.37 1m9sA1 ILE 179 HB -0.04 0.02 0.08 -0.04 1.89 1.91 1m9sA1 ILE 179 HG12 -0.04 0.06 0.04 -0.04 1.49 1.51 1m9sA1 ILE 179 HG13 -0.03 -0.02 -0.11 -0.04 1.21 1.00 1m9sA1 ILE 179 HG23 -0.04 0.01 -0.24 -0.04 0.93 0.62 1m9sA1 ILE 179 HD13 -0.04 0.01 -0.08 -0.04 0.88 0.73 1m9sA1 THR 180 H -0.03 0.13 -0.32 -0.55 8.28 7.51 1m9sA1 THR 180 HA -0.03 0.10 0.33 -0.75 4.39 4.03 1m9sA1 THR 180 HB -0.03 -0.03 0.04 -0.04 4.32 4.25 1m9sA1 THR 180 HG23 -0.03 0.03 -0.10 -0.04 1.22 1.08 1m9sA1 VAL 181 H -0.04 0.05 -0.23 -0.55 8.24 7.48 1m9sA1 VAL 181 HA -0.05 0.16 0.42 -0.75 4.13 3.91 1m9sA1 VAL 181 HB -0.05 -0.08 0.03 -0.04 2.12 1.97 1m9sA1 VAL 181 HG13 -0.05 0.01 -0.34 -0.04 0.97 0.55 1m9sA1 VAL 181 HG23 -0.08 0.04 0.06 -0.04 0.95 0.92 1m9sA1 LEU 182 H -0.04 0.25 -0.44 -0.55 8.37 7.58 1m9sA1 LEU 182 HA -0.05 0.04 0.32 -0.75 4.35 3.91 1m9sA1 LEU 182 HB2 -0.04 0.17 -0.05 -0.04 1.64 1.69 1m9sA1 LEU 182 HB3 -0.05 0.06 -0.02 -0.04 1.64 1.59 1m9sA1 LEU 182 HG -0.04 -0.14 -0.07 -0.04 1.64 1.34 1m9sA1 LEU 182 HD13 -0.04 0.00 -0.10 -0.04 0.93 0.75 1m9sA1 LEU 182 HD23 -0.05 0.01 -0.11 -0.04 0.89 0.70 1m9sA1 SER 183 H -0.04 0.21 -0.53 -0.55 8.46 7.55 1m9sA1 SER 183 HA -0.04 0.16 0.36 -0.75 4.49 4.21 1m9sA1 SER 183 HB2 -0.03 -0.05 0.01 -0.04 3.95 3.84 1m9sA1 SER 183 HB3 -0.03 0.02 0.15 -0.04 3.93 4.02 1m9sA1 ARG 184 H -0.05 0.34 -0.35 -0.55 8.46 7.85 1m9sA1 ARG 184 HA -0.04 0.09 0.54 -0.75 4.34 4.18 1m9sA1 ARG 184 HB2 -0.06 0.13 0.13 -0.04 1.90 2.07 1m9sA1 ARG 184 HB3 -0.05 0.03 -0.01 -0.04 1.80 1.72 1m9sA1 ARG 184 HG2 -0.06 -0.02 0.05 -0.04 1.67 1.60 1m9sA1 ARG 184 HG3 -0.04 0.01 0.05 -0.04 1.67 1.65 1m9sA1 ARG 184 HD2 -0.04 -0.01 -0.05 -0.04 3.22 3.08 1m9sA1 ARG 184 HD3 -0.04 -0.00 -0.33 -0.04 3.22 2.81 1m9sA1 LEU 185 H -0.05 0.14 -0.27 -0.55 8.37 7.66 1m9sA1 LEU 185 HA -0.04 0.15 0.47 -0.75 4.35 4.17 1m9sA1 LEU 185 HB2 -0.05 0.07 0.15 -0.04 1.64 1.77 1m9sA1 LEU 185 HB3 -0.05 -0.03 0.10 -0.04 1.64 1.61 1m9sA1 LEU 185 HG -0.05 0.17 -0.15 -0.04 1.64 1.58 1m9sA1 LEU 185 HD13 -0.05 -0.00 -0.24 -0.04 0.93 0.59 1m9sA1 LEU 185 HD23 -0.06 -0.04 -0.10 -0.04 0.89 0.65 1m9sA1 THR 186 H -0.03 0.60 0.25 -0.55 8.28 8.54 1m9sA1 THR 186 HA -0.03 0.07 0.47 -0.75 4.39 4.15 1m9sA1 THR 186 HB -0.02 -0.07 0.15 -0.04 4.32 4.34 1m9sA1 THR 186 HG23 -0.03 0.00 -0.06 -0.04 1.22 1.09 1m9sA1 LYS 187 H -0.03 0.16 -0.33 -0.55 8.42 7.67 1m9sA1 LYS 187 HA -0.02 0.13 0.85 -0.75 4.32 4.52 1m9sA1 LYS 187 HB2 -0.03 0.21 -0.05 -0.04 1.87 1.96 1m9sA1 LYS 187 HB3 -0.02 -0.05 0.08 -0.04 1.79 1.75 1m9sA1 LYS 187 HG2 -0.02 -0.06 -0.08 -0.04 1.46 1.26 1m9sA1 LYS 187 HG3 -0.03 -0.01 0.03 -0.04 1.46 1.41 1m9sA1 LYS 187 HD2 -0.01 -0.02 0.03 -0.04 1.69 1.64 1m9sA1 LYS 187 HD3 -0.02 0.05 -0.01 -0.04 1.68 1.67 1m9sA1 LYS 187 HE2 -0.02 -0.02 -0.05 -0.04 2.99 2.87 1m9sA1 LYS 187 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.91 1m9sA1 LEU 188 H -0.04 0.15 -0.25 -0.55 8.37 7.69 1m9sA1 LEU 188 HA -0.04 0.06 0.50 -0.75 4.35 4.12 1m9sA1 LEU 188 HB2 -0.05 0.06 -0.01 -0.04 1.64 1.60 1m9sA1 LEU 188 HB3 -0.06 -0.06 -0.21 -0.04 1.64 1.27 1m9sA1 LEU 188 HG -0.06 0.07 -0.13 -0.04 1.64 1.48 1m9sA1 LEU 188 HD13 -0.06 -0.01 -0.05 -0.04 0.93 0.77 1m9sA1 LEU 188 HD23 -0.09 -0.01 -0.42 -0.04 0.89 0.34 1m9sA1 ASP 189 H -0.02 0.46 0.43 -0.55 8.40 8.73 1m9sA1 ASP 189 HA -0.01 0.30 0.72 -0.75 4.63 4.89 1m9sA1 ASP 189 HB2 0.02 -0.12 0.12 -0.04 2.71 2.69 1m9sA1 ASP 189 HB3 0.01 0.13 0.05 -0.04 2.70 2.85 1m9sA1 THR 190 H -0.03 0.33 0.38 -0.55 8.28 8.41 1m9sA1 THR 190 HA 0.00 0.19 1.13 -0.75 4.39 4.96 1m9sA1 THR 190 HB -0.01 0.02 0.27 -0.04 4.32 4.57 1m9sA1 THR 190 HG23 0.08 -0.03 -0.13 -0.04 1.22 1.10 1m9sA1 LEU 191 H -0.00 0.77 0.37 -0.55 8.37 8.96 1m9sA1 LEU 191 HA -0.14 0.17 0.90 -0.75 4.35 4.52 1m9sA1 LEU 191 HB2 -0.07 0.11 -0.12 -0.04 1.64 1.52 1m9sA1 LEU 191 HB3 -0.05 0.04 0.00 -0.04 1.64 1.59 1m9sA1 LEU 191 HG -0.02 -0.12 -0.39 -0.04 1.64 1.07 1m9sA1 LEU 191 HD13 -0.06 -0.01 -0.07 -0.04 0.93 0.74 1m9sA1 LEU 191 HD23 -0.05 0.01 -0.13 -0.04 0.89 0.68 1m9sA1 SER 192 H -0.05 0.57 0.34 -0.55 8.46 8.77 1m9sA1 SER 192 HA 0.26 0.09 1.17 -0.75 4.49 5.25 1m9sA1 SER 192 HB2 0.29 0.08 -0.04 -0.04 3.95 4.24 1m9sA1 SER 192 HB3 0.20 -0.12 0.26 -0.04 3.93 4.23 1m9sA1 LEU 193 H 0.08 0.61 0.30 -0.55 8.37 8.82 1m9sA1 LEU 193 HA -0.00 0.10 0.56 -0.75 4.35 4.25 1m9sA1 LEU 193 HB2 -0.01 0.12 -0.04 -0.04 1.64 1.67 1m9sA1 LEU 193 HB3 -0.02 -0.03 0.04 -0.04 1.64 1.58 1m9sA1 LEU 193 HG -0.02 -0.03 -0.57 -0.04 1.64 0.98 1m9sA1 LEU 193 HD13 -0.03 0.01 -0.18 -0.04 0.93 0.69 1m9sA1 LEU 193 HD23 -0.03 -0.01 -0.12 -0.04 0.89 0.69 1m9sA1 GLU 194 H 0.04 -0.07 0.03 -0.55 8.60 8.06 1m9sA1 GLU 194 HA -0.02 0.26 0.28 -0.75 4.29 4.05 1m9sA1 GLU 194 HB2 -0.02 0.09 -0.08 -0.04 2.09 2.03 1m9sA1 GLU 194 HB3 -0.04 -0.21 -0.03 -0.04 1.99 1.67 1m9sA1 GLU 194 HG2 0.02 0.00 -0.01 -0.04 2.34 2.32 1m9sA1 GLU 194 HG3 0.06 -0.11 0.07 -0.04 2.34 2.32 1m9sA1 ASP 195 H -0.02 0.74 0.36 -0.55 8.40 8.93 1m9sA1 ASP 195 HA 0.01 0.26 0.66 -0.75 4.63 4.81 1m9sA1 ASP 195 HB2 0.01 -0.09 -0.10 -0.04 2.71 2.49 1m9sA1 ASP 195 HB3 -0.05 -0.06 0.40 -0.04 2.70 2.94 1m9sA1 ASN 196 H -0.03 0.57 0.44 -0.55 8.53 8.96 1m9sA1 ASN 196 HA -0.05 0.21 0.61 -0.75 4.76 4.78 1m9sA1 ASN 196 HB2 -0.05 0.24 0.00 -0.04 2.88 3.03 1m9sA1 ASN 196 HB3 -0.07 0.00 0.16 -0.04 2.79 2.85 1m9sA1 ASN 196 HD21 -0.04 0.45 -0.05 -0.04 7.03 7.35 1m9sA1 ASN 196 HD22 -0.04 0.51 -0.35 -0.04 7.74 7.82 1m9sA1 GLN 197 H -0.11 0.39 0.13 -0.55 8.47 8.33 1m9sA1 GLN 197 HA -0.57 0.20 0.93 -0.75 4.36 4.17 1m9sA1 GLN 197 HB2 -0.16 -0.00 -0.04 -0.04 2.15 1.91 1m9sA1 GLN 197 HB3 -0.36 -0.01 0.17 -0.04 2.02 1.77 1m9sA1 GLN 197 HG2 -0.03 0.05 -0.07 -0.04 2.40 2.30 1m9sA1 GLN 197 HG3 -0.07 -0.06 -0.17 -0.04 2.39 2.05 1m9sA1 GLN 197 HE21 -0.01 0.00 0.01 -0.04 6.97 6.93 1m9sA1 GLN 197 HE22 -0.02 -0.00 0.03 -0.04 7.69 7.66 1m9sA1 ILE 198 H -0.14 0.11 -0.24 -0.55 8.25 7.43 1m9sA1 ILE 198 HA -0.10 0.16 0.65 -0.75 4.18 4.13 1m9sA1 ILE 198 HB -0.05 0.00 -0.02 -0.04 1.89 1.78 1m9sA1 ILE 198 HG12 -0.06 -0.08 -0.32 -0.04 1.49 0.99 1m9sA1 ILE 198 HG13 -0.08 0.01 -0.08 -0.04 1.21 1.03 1m9sA1 ILE 198 HG23 -0.04 -0.01 -0.26 -0.04 0.93 0.59 1m9sA1 ILE 198 HD13 -0.04 0.02 -0.12 -0.04 0.88 0.69 1m9sA1 SER 199 H -0.04 0.09 0.28 -0.55 8.46 8.24 1m9sA1 SER 199 HA 0.04 0.19 0.68 -0.75 4.49 4.65 1m9sA1 SER 199 HB2 0.07 0.11 -0.00 -0.04 3.95 4.09 1m9sA1 SER 199 HB3 0.00 -0.01 0.16 -0.04 3.93 4.04 1m9sA1 ASP 200 H -0.02 0.09 0.22 -0.55 8.40 8.14 1m9sA1 ASP 200 HA -0.01 0.13 0.77 -0.75 4.63 4.76 1m9sA1 ASP 200 HB2 -0.01 0.08 0.12 -0.04 2.71 2.85 1m9sA1 ASP 200 HB3 -0.02 -0.03 0.25 -0.04 2.70 2.86 1m9sA1 ILE 201 H -0.03 0.21 0.14 -0.55 8.25 8.03 1m9sA1 ILE 201 HA -0.03 0.26 0.94 -0.75 4.18 4.60 1m9sA1 ILE 201 HB -0.05 0.03 -0.01 -0.04 1.89 1.83 1m9sA1 ILE 201 HG12 -0.04 0.04 0.01 -0.04 1.49 1.46 1m9sA1 ILE 201 HG13 -0.05 -0.07 -0.20 -0.04 1.21 0.84 1m9sA1 ILE 201 HG23 -0.03 0.02 -0.35 -0.04 0.93 0.52 1m9sA1 ILE 201 HD13 -0.08 0.04 -0.09 -0.04 0.88 0.70 1m9sA1 VAL 202 H -0.03 0.04 -0.05 -0.55 8.24 7.66 1m9sA1 VAL 202 HA -0.03 0.06 0.39 -0.75 4.13 3.79 1m9sA1 VAL 202 HB -0.02 0.03 0.01 -0.04 2.12 2.10 1m9sA1 VAL 202 HG13 -0.02 0.03 -0.06 -0.04 0.97 0.87 1m9sA1 VAL 202 HG23 -0.02 -0.01 0.06 -0.04 0.95 0.93 1m9sA1 PRO 203 HA -0.03 0.07 0.31 -0.51 4.44 4.28 1m9sA1 PRO 203 HB2 -0.04 0.06 -0.22 -0.04 2.28 2.04 1m9sA1 PRO 203 HB3 -0.03 0.10 0.02 -0.04 2.02 2.06 1m9sA1 PRO 203 HG2 -0.03 -0.05 -0.29 -0.04 2.03 1.62 1m9sA1 PRO 203 HG3 -0.03 -0.01 -0.13 -0.04 2.03 1.83 1m9sA1 PRO 203 HD2 -0.03 -0.03 -0.51 -0.04 3.68 3.07 1m9sA1 PRO 203 HD3 -0.03 0.07 -0.11 -0.04 3.65 3.55 1m9sA1 LEU 204 H -0.04 0.50 -0.74 -0.55 8.37 7.55 1m9sA1 LEU 204 HA -0.04 0.21 0.81 -0.75 4.35 4.58 1m9sA1 LEU 204 HB2 -0.05 0.08 -0.12 -0.04 1.64 1.51 1m9sA1 LEU 204 HB3 -0.05 0.00 -0.02 -0.04 1.64 1.54 1m9sA1 LEU 204 HG -0.04 -0.02 -0.14 -0.04 1.64 1.40 1m9sA1 LEU 204 HD13 -0.05 -0.02 -0.14 -0.04 0.93 0.69 1m9sA1 LEU 204 HD23 -0.04 0.01 -0.34 -0.04 0.89 0.48 1m9sA1 ALA 205 H -0.04 0.49 0.02 -0.55 8.40 8.33 1m9sA1 ALA 205 HA -0.04 0.28 0.38 -0.75 4.34 4.21 1m9sA1 ALA 205 HB3 -0.03 -0.05 0.12 -0.04 1.41 1.41 1m9sA1 GLY 206 H -0.03 0.07 -0.54 -0.55 8.43 7.39 1m9sA1 GLY 206 HA2 -0.03 0.13 0.66 -0.51 4.01 4.26 1m9sA1 GLY 206 HA3 -0.03 0.01 0.24 -0.51 4.01 3.73 1m9sA1 LEU 207 H -0.03 0.41 -0.15 -0.55 8.37 8.05 1m9sA1 LEU 207 HA -0.03 0.10 0.43 -0.75 4.35 4.10 1m9sA1 LEU 207 HB2 -0.04 -0.02 0.15 -0.04 1.64 1.69 1m9sA1 LEU 207 HB3 -0.04 0.05 0.10 -0.04 1.64 1.71 1m9sA1 LEU 207 HG -0.04 -0.05 0.08 -0.04 1.64 1.59 1m9sA1 LEU 207 HD13 -0.04 0.00 -0.08 -0.04 0.93 0.77 1m9sA1 LEU 207 HD23 -0.03 0.02 -0.21 -0.04 0.89 0.63 1m9sA1 THR 208 H -0.02 0.76 0.09 -0.55 8.28 8.55 1m9sA1 THR 208 HA -0.03 -0.01 0.24 -0.75 4.39 3.83 1m9sA1 THR 208 HB -0.02 0.00 0.03 -0.04 4.32 4.29 1m9sA1 THR 208 HG23 -0.02 0.02 0.11 -0.04 1.22 1.29 1m9sA1 LYS 209 H -0.02 0.09 -0.37 -0.55 8.42 7.56 1m9sA1 LYS 209 HA -0.01 0.03 0.47 -0.75 4.32 4.04 1m9sA1 LYS 209 HB2 -0.02 0.10 -0.04 -0.04 1.87 1.86 1m9sA1 LYS 209 HB3 -0.01 -0.00 -0.07 -0.04 1.79 1.66 1m9sA1 LYS 209 HG2 -0.01 -0.12 0.01 -0.04 1.46 1.30 1m9sA1 LYS 209 HG3 -0.01 0.16 0.08 -0.04 1.46 1.65 1m9sA1 LYS 209 HD2 -0.01 0.01 0.01 -0.04 1.69 1.66 1m9sA1 LYS 209 HD3 -0.01 -0.01 0.02 -0.04 1.68 1.65 1m9sA1 LYS 209 HE2 -0.01 -0.04 -0.01 -0.04 2.99 2.89 1m9sA1 LYS 209 HE3 -0.01 0.02 0.02 -0.04 2.99 2.98 1m9sA1 LEU 210 H -0.03 0.44 -0.35 -0.55 8.37 7.89 1m9sA1 LEU 210 HA -0.03 -0.01 0.30 -0.75 4.35 3.86 1m9sA1 LEU 210 HB2 -0.04 0.12 0.01 -0.04 1.64 1.69 1m9sA1 LEU 210 HB3 -0.05 -0.14 -0.24 -0.04 1.64 1.17 1m9sA1 LEU 210 HG -0.04 0.11 -0.04 -0.04 1.64 1.62 1m9sA1 LEU 210 HD13 -0.05 -0.04 -0.11 -0.04 0.93 0.69 1m9sA1 LEU 210 HD23 -0.05 -0.01 -0.45 -0.04 0.89 0.34 1m9sA1 GLN 211 H -0.03 0.52 0.39 -0.55 8.47 8.81 1m9sA1 GLN 211 HA -0.03 0.30 0.85 -0.75 4.36 4.73 1m9sA1 GLN 211 HB2 0.01 0.02 0.21 -0.04 2.15 2.34 1m9sA1 GLN 211 HB3 0.00 -0.13 0.17 -0.04 2.02 2.02 1m9sA1 GLN 211 HG2 -0.00 0.20 -0.01 -0.04 2.40 2.54 1m9sA1 GLN 211 HG3 -0.00 0.18 -0.01 -0.04 2.39 2.52 1m9sA1 GLN 211 HE21 0.02 -0.08 0.03 -0.04 6.97 6.90 1m9sA1 GLN 211 HE22 0.01 0.03 0.06 -0.04 7.69 7.76 1m9sA1 ASN 212 H -0.04 0.61 0.46 -0.55 8.53 9.01 1m9sA1 ASN 212 HA -0.17 0.18 1.09 -0.75 4.76 5.10 1m9sA1 ASN 212 HB2 0.05 -0.13 0.36 -0.04 2.88 3.13 1m9sA1 ASN 212 HB3 0.02 -0.04 0.09 -0.04 2.79 2.82 1m9sA1 ASN 212 HD21 0.08 0.04 -0.04 -0.04 7.03 7.07 1m9sA1 ASN 212 HD22 0.09 -0.06 -0.00 -0.04 7.74 7.72 1m9sA1 LEU 213 H -0.38 0.67 0.24 -0.55 8.37 8.35 1m9sA1 LEU 213 HA -0.18 0.35 1.08 -0.75 4.35 4.84 1m9sA1 LEU 213 HB2 -0.12 0.06 -0.22 -0.04 1.64 1.32 1m9sA1 LEU 213 HB3 -0.15 0.03 0.08 -0.04 1.64 1.56 1m9sA1 LEU 213 HG -0.09 -0.10 -0.34 -0.04 1.64 1.06 1m9sA1 LEU 213 HD13 -0.06 0.01 -0.11 -0.04 0.93 0.74 1m9sA1 LEU 213 HD23 -0.07 0.01 -0.15 -0.04 0.89 0.64 1m9sA1 TYR 214 H 0.03 0.56 0.37 -0.55 8.29 8.69 1m9sA1 TYR 214 HA -0.02 0.10 1.08 -0.75 4.56 4.96 1m9sA1 TYR 214 HB2 0.01 -0.21 0.34 -0.04 3.06 3.16 1m9sA1 TYR 214 HB3 -0.00 -0.02 0.11 -0.04 2.98 3.02 1m9sA1 TYR 214 HD2 0.05 0.03 -0.06 -0.04 7.15 7.13 1m9sA1 TYR 214 HE2 0.09 0.03 -0.12 -0.04 6.85 6.82 1m9sA1 LEU 215 H -0.02 0.67 0.32 -0.55 8.37 8.80 1m9sA1 LEU 215 HA -0.01 0.13 0.77 -0.75 4.35 4.49 1m9sA1 LEU 215 HB2 -0.03 0.11 0.01 -0.04 1.64 1.69 1m9sA1 LEU 215 HB3 -0.02 -0.03 0.05 -0.04 1.64 1.60 1m9sA1 LEU 215 HG -0.04 -0.12 -0.64 -0.04 1.64 0.80 1m9sA1 LEU 215 HD13 -0.06 0.01 -0.19 -0.04 0.93 0.66 1m9sA1 LEU 215 HD23 -0.02 0.02 -0.17 -0.04 0.89 0.67 1m9sA1 SER 216 H -0.14 -0.05 -0.00 -0.55 8.46 7.72 1m9sA1 SER 216 HA -0.26 0.23 0.33 -0.75 4.49 4.03 1m9sA1 SER 216 HB2 -1.47 0.15 0.07 -0.04 3.95 2.67 1m9sA1 SER 216 HB3 -1.10 -0.19 0.01 -0.04 3.93 2.60 1m9sA1 LYS 217 H -0.12 0.58 0.26 -0.55 8.42 8.59 1m9sA1 LYS 217 HA 0.03 0.42 0.64 -0.75 4.32 4.66 1m9sA1 LYS 217 HB2 0.01 -0.11 0.17 -0.04 1.87 1.90 1m9sA1 LYS 217 HB3 0.05 0.03 0.31 -0.04 1.79 2.13 1m9sA1 LYS 217 HG2 0.13 0.11 0.15 -0.04 1.46 1.81 1m9sA1 LYS 217 HG3 0.11 -0.12 -0.07 -0.04 1.46 1.34 1m9sA1 LYS 217 HD2 0.12 -0.05 -0.03 -0.04 1.69 1.69 1m9sA1 LYS 217 HD3 0.09 0.03 0.06 -0.04 1.68 1.82 1m9sA1 LYS 217 HE2 0.17 0.03 0.02 -0.04 2.99 3.18 1m9sA1 LYS 217 HE3 0.33 -0.04 -0.01 -0.04 2.99 3.22 1m9sA1 ASN 218 H 0.05 0.20 0.19 -0.55 8.53 8.42 1m9sA1 ASN 218 HA 0.04 0.35 0.79 -0.75 4.76 5.20 1m9sA1 ASN 218 HB2 0.02 0.22 -0.06 -0.04 2.88 3.02 1m9sA1 ASN 218 HB3 0.02 0.03 0.17 -0.04 2.79 2.97 1m9sA1 ASN 218 HD21 -0.03 0.27 -0.23 -0.04 7.03 7.00 1m9sA1 ASN 218 HD22 -0.02 0.14 -0.37 -0.04 7.74 7.45 1m9sA1 HIS 219 H 0.07 0.62 0.17 -0.55 8.41 8.72 1m9sA1 HIS 219 HA 0.03 0.19 0.88 -0.75 4.63 4.97 1m9sA1 HIS 219 HB2 0.01 -0.01 -0.08 -0.04 3.26 3.13 1m9sA1 HIS 219 HB3 0.01 -0.06 0.26 -0.04 3.20 3.37 1m9sA1 HIS 219 HD2 0.00 -0.04 0.04 -0.04 6.97 6.92 1m9sA1 HIS 219 HE1 -0.00 -0.01 -0.02 -0.04 7.75 7.68 1m9sA1 ILE 220 H 0.13 0.04 -0.28 -0.55 8.25 7.59 1m9sA1 ILE 220 HA 0.08 0.11 0.52 -0.75 4.18 4.13 1m9sA1 ILE 220 HB 0.17 0.03 -0.02 -0.04 1.89 2.02 1m9sA1 ILE 220 HG12 0.02 -0.01 -0.21 -0.04 1.49 1.25 1m9sA1 ILE 220 HG13 0.05 -0.02 -0.03 -0.04 1.21 1.18 1m9sA1 ILE 220 HG23 0.00 -0.01 -0.22 -0.04 0.93 0.67 1m9sA1 ILE 220 HD13 -0.00 0.02 -0.11 -0.04 0.88 0.75 1m9sA1 SER 221 H 0.06 0.09 0.24 -0.55 8.46 8.31 1m9sA1 SER 221 HA 0.24 0.17 0.66 -0.75 4.49 4.81 1m9sA1 SER 221 HB2 -0.01 0.02 0.04 -0.04 3.95 3.96 1m9sA1 SER 221 HB3 0.01 0.04 -0.13 -0.04 3.93 3.81 1m9sA1 ASP 222 H -0.01 0.09 0.11 -0.55 8.40 8.04 1m9sA1 ASP 222 HA -0.07 0.19 0.85 -0.75 4.63 4.85 1m9sA1 ASP 222 HB2 -0.01 0.17 -0.06 -0.04 2.71 2.76 1m9sA1 ASP 222 HB3 -0.03 -0.04 0.17 -0.04 2.70 2.76 1m9sA1 LEU 223 H -0.20 0.57 -0.05 -0.55 8.37 8.15 1m9sA1 LEU 223 HA -0.19 0.20 0.82 -0.75 4.35 4.42 1m9sA1 LEU 223 HB2 -0.27 -0.05 -0.19 -0.04 1.64 1.09 1m9sA1 LEU 223 HB3 -0.26 -0.01 0.01 -0.04 1.64 1.34 1m9sA1 LEU 223 HG -1.06 0.14 -0.22 -0.04 1.64 0.47 1m9sA1 LEU 223 HD13 -0.74 -0.02 -0.15 -0.04 0.93 -0.01 1m9sA1 LEU 223 HD23 -0.58 0.02 -0.37 -0.04 0.89 -0.09 1m9sA1 ARG 224 H -0.09 0.11 -0.29 -0.55 8.46 7.64 1m9sA1 ARG 224 HA -0.06 0.29 0.37 -0.75 4.34 4.18 1m9sA1 ARG 224 HB2 -0.04 -0.10 0.01 -0.04 1.90 1.73 1m9sA1 ARG 224 HB3 -0.04 0.06 -0.03 -0.04 1.80 1.75 1m9sA1 ARG 224 HG2 -0.03 0.12 -0.07 -0.04 1.67 1.64 1m9sA1 ARG 224 HG3 -0.05 0.06 -0.10 -0.04 1.67 1.53 1m9sA1 ARG 224 HD2 -0.03 0.01 -0.03 -0.04 3.22 3.13 1m9sA1 ARG 224 HD3 -0.03 -0.09 -0.03 -0.04 3.22 3.04 1m9sA1 ALA 225 H -0.06 0.06 -0.33 -0.55 8.40 7.53 1m9sA1 ALA 225 HA -0.04 0.11 0.29 -0.75 4.34 3.94 1m9sA1 ALA 225 HB3 -0.05 -0.00 -0.13 -0.04 1.41 1.19 1m9sA1 LEU 226 H -0.08 0.44 -0.69 -0.55 8.37 7.49 1m9sA1 LEU 226 HA -0.06 0.18 0.62 -0.75 4.35 4.35 1m9sA1 LEU 226 HB2 -0.09 0.09 -0.05 -0.04 1.64 1.54 1m9sA1 LEU 226 HB3 -0.07 0.00 0.00 -0.04 1.64 1.53 1m9sA1 LEU 226 HG -0.10 -0.10 -0.18 -0.04 1.64 1.23 1m9sA1 LEU 226 HD13 -0.11 -0.01 -0.14 -0.04 0.93 0.62 1m9sA1 LEU 226 HD23 -0.07 0.02 -0.25 -0.04 0.89 0.55 1m9sA1 ALA 227 H -0.05 0.55 -0.13 -0.55 8.40 8.22 1m9sA1 ALA 227 HA -0.04 -0.03 0.23 -0.75 4.34 3.75 1m9sA1 ALA 227 HB3 -0.03 0.02 0.10 -0.04 1.41 1.46 1m9sA1 GLY 228 H -0.04 0.13 -0.53 -0.55 8.43 7.44 1m9sA1 GLY 228 HA2 -0.02 0.16 0.83 -0.51 4.01 4.47 1m9sA1 GLY 228 HA3 -0.03 0.04 0.27 -0.51 4.01 3.79 1m9sA1 LEU 229 H -0.04 0.44 -0.13 -0.55 8.37 8.10 1m9sA1 LEU 229 HA -0.03 0.12 0.47 -0.75 4.35 4.16 1m9sA1 LEU 229 HB2 -0.04 -0.04 0.13 -0.04 1.64 1.65 1m9sA1 LEU 229 HB3 -0.04 0.07 0.01 -0.04 1.64 1.64 1m9sA1 LEU 229 HG -0.05 0.10 0.05 -0.04 1.64 1.70 1m9sA1 LEU 229 HD13 -0.06 -0.03 -0.11 -0.04 0.93 0.70 1m9sA1 LEU 229 HD23 -0.04 0.04 -0.34 -0.04 0.89 0.52 1m9sA1 LYS 230 H -0.02 0.52 0.18 -0.55 8.42 8.54 1m9sA1 LYS 230 HA -0.02 -0.02 0.32 -0.75 4.32 3.85 1m9sA1 LYS 230 HB2 -0.01 -0.05 0.14 -0.04 1.87 1.90 1m9sA1 LYS 230 HB3 -0.01 0.06 0.11 -0.04 1.79 1.90 1m9sA1 LYS 230 HG2 -0.01 0.05 0.04 -0.04 1.46 1.49 1m9sA1 LYS 230 HG3 -0.01 0.01 -0.29 -0.04 1.46 1.13 1m9sA1 LYS 230 HD2 -0.01 -0.02 -0.01 -0.04 1.69 1.61 1m9sA1 LYS 230 HD3 -0.01 -0.05 0.02 -0.04 1.68 1.60 1m9sA1 LYS 230 HE2 -0.01 0.02 0.07 -0.04 2.99 3.02 1m9sA1 LYS 230 HE3 -0.01 0.05 0.06 -0.04 2.99 3.05 1m9sA1 ASN 231 H -0.02 0.17 -0.34 -0.55 8.53 7.79 1m9sA1 ASN 231 HA -0.01 0.12 0.86 -0.75 4.76 4.98 1m9sA1 ASN 231 HB2 -0.02 0.33 0.01 -0.04 2.88 3.16 1m9sA1 ASN 231 HB3 -0.01 -0.07 0.12 -0.04 2.79 2.79 1m9sA1 ASN 231 HD21 -0.01 -0.13 -0.03 -0.04 7.03 6.81 1m9sA1 ASN 231 HD22 -0.01 0.54 0.07 -0.04 7.74 8.29 1m9sA1 LEU 232 H -0.03 0.23 -0.25 -0.55 8.37 7.78 1m9sA1 LEU 232 HA -0.04 0.03 0.49 -0.75 4.35 4.08 1m9sA1 LEU 232 HB2 -0.03 0.14 0.07 -0.04 1.64 1.78 1m9sA1 LEU 232 HB3 -0.05 -0.09 -0.19 -0.04 1.64 1.27 1m9sA1 LEU 232 HG -0.04 0.09 -0.07 -0.04 1.64 1.57 1m9sA1 LEU 232 HD13 -0.06 -0.03 -0.10 -0.04 0.93 0.70 1m9sA1 LEU 232 HD23 -0.08 -0.01 -0.35 -0.04 0.89 0.41 1m9sA1 ASP 233 H -0.03 0.76 0.51 -0.55 8.40 9.10 1m9sA1 ASP 233 HA -0.00 0.21 0.82 -0.75 4.63 4.90 1m9sA1 ASP 233 HB2 0.01 0.01 0.21 -0.04 2.71 2.89 1m9sA1 ASP 233 HB3 0.02 -0.09 0.06 -0.04 2.70 2.65 1m9sA1 VAL 234 H -0.05 0.59 0.49 -0.55 8.24 8.72 1m9sA1 VAL 234 HA -0.01 0.19 1.05 -0.75 4.13 4.60 1m9sA1 VAL 234 HB -0.10 -0.07 0.26 -0.04 2.12 2.17 1m9sA1 VAL 234 HG13 -0.02 -0.02 -0.13 -0.04 0.97 0.76 1m9sA1 VAL 234 HG23 0.06 0.01 -0.06 -0.04 0.95 0.92 1m9sA1 LEU 235 H -0.03 0.36 0.18 -0.55 8.37 8.33 1m9sA1 LEU 235 HA -0.17 0.30 0.89 -0.75 4.35 4.61 1m9sA1 LEU 235 HB2 -0.07 0.09 -0.27 -0.04 1.64 1.35 1m9sA1 LEU 235 HB3 -0.03 0.06 -0.23 -0.04 1.64 1.40 1m9sA1 LEU 235 HG -0.03 -0.14 -0.45 -0.04 1.64 0.99 1m9sA1 LEU 235 HD13 -0.09 -0.01 -0.06 -0.04 0.93 0.74 1m9sA1 LEU 235 HD23 -0.05 0.02 -0.24 -0.04 0.89 0.58 1m9sA1 GLU 236 H -0.09 0.51 0.34 -0.55 8.60 8.81 1m9sA1 GLU 236 HA 0.08 0.15 1.04 -0.75 4.29 4.81 1m9sA1 GLU 236 HB2 0.13 -0.14 0.24 -0.04 2.09 2.28 1m9sA1 GLU 236 HB3 0.06 -0.05 0.11 -0.04 1.99 2.07 1m9sA1 GLU 236 HG2 0.19 0.19 -0.11 -0.04 2.34 2.56 1m9sA1 GLU 236 HG3 0.21 0.01 -0.20 -0.04 2.34 2.32 1m9sA1 LEU 237 H 0.07 0.13 0.14 -0.55 8.37 8.17 1m9sA1 LEU 237 HA -0.04 0.14 0.61 -0.75 4.35 4.31 1m9sA1 LEU 237 HB2 0.17 0.01 -0.23 -0.04 1.64 1.55 1m9sA1 LEU 237 HB3 0.27 0.03 0.06 -0.04 1.64 1.96 1m9sA1 LEU 237 HG -0.01 -0.07 -0.76 -0.04 1.64 0.75 1m9sA1 LEU 237 HD13 -0.06 0.01 -0.28 -0.04 0.93 0.56 1m9sA1 LEU 237 HD23 -0.04 0.01 -0.15 -0.04 0.89 0.67 1m9sA1 PHE 238 H -0.32 -0.06 0.14 -0.55 8.34 7.56 1m9sA1 PHE 238 HA 0.12 0.15 0.74 -0.75 4.62 4.88 1m9sA1 PHE 238 HB2 0.22 -0.02 0.18 -0.04 3.15 3.48 1m9sA1 PHE 238 HB3 0.11 0.01 0.19 -0.04 3.06 3.33 1m9sA1 PHE 238 HD2 0.10 0.03 -0.11 -0.04 7.28 7.26 1m9sA1 PHE 238 HE2 0.08 0.04 -0.01 -0.04 7.38 7.44 1m9sA1 PHE 238 HZ 0.06 0.03 -0.02 -0.04 7.32 7.35 1m9sA1 SER 239 H 0.54 0.06 0.16 -0.55 8.46 8.68 1m9sA1 SER 239 HA -0.21 0.01 0.41 -0.75 4.49 3.95 1m9sA1 SER 239 HB2 0.34 -0.04 0.04 -0.04 3.95 4.25 1m9sA1 SER 239 HB3 0.15 0.04 0.20 -0.04 3.93 4.28 1m9sA1 GLN 240 H -0.32 0.61 0.61 -0.55 8.47 8.82 1m9sA1 GLN 240 HA 0.03 0.14 0.94 -0.75 4.36 4.71 1m9sA1 GLN 240 HB2 0.12 -0.10 -0.01 -0.04 2.15 2.11 1m9sA1 GLN 240 HB3 0.15 0.09 -0.05 -0.04 2.02 2.16 1m9sA1 GLN 240 HG2 0.12 0.13 -0.08 -0.04 2.40 2.53 1m9sA1 GLN 240 HG3 0.44 0.05 -0.08 -0.04 2.39 2.76 1m9sA1 GLN 240 HE21 0.00 0.39 0.04 -0.04 6.97 7.36 1m9sA1 GLN 240 HE22 0.04 0.07 -0.34 -0.04 7.69 7.42 1m9sA1 GLU 241 H 0.03 0.69 0.39 -0.55 8.60 9.17 1m9sA1 GLU 241 HA -0.09 0.13 1.03 -0.75 4.29 4.60 1m9sA1 GLU 241 HB2 -0.14 0.03 0.16 -0.04 2.09 2.10 1m9sA1 GLU 241 HB3 -0.18 -0.02 0.00 -0.04 1.99 1.75 1m9sA1 GLU 241 HG2 -0.07 -0.01 -0.02 -0.04 2.34 2.19 1m9sA1 GLU 241 HG3 -0.03 0.02 -0.20 -0.04 2.34 2.09 1m9sA1 CYS 242 H -0.07 0.69 0.28 -0.55 8.50 8.85 1m9sA1 CYS 242 HA -0.08 0.15 0.96 -0.75 4.58 4.86 1m9sA1 CYS 242 HB2 -0.02 -0.05 0.14 -0.04 2.97 2.99 1m9sA1 CYS 242 HB3 0.01 0.02 -0.06 -0.04 2.97 2.90 1m9sA1 LEU 243 H -0.10 0.21 0.17 -0.55 8.37 8.10 1m9sA1 LEU 243 HA -0.06 0.13 1.01 -0.75 4.35 4.68 1m9sA1 LEU 243 HB2 -0.10 -0.06 0.01 -0.04 1.64 1.45 1m9sA1 LEU 243 HB3 -0.07 -0.03 0.18 -0.04 1.64 1.68 1m9sA1 LEU 243 HG -0.02 0.17 -0.19 -0.04 1.64 1.56 1m9sA1 LEU 243 HD13 -0.04 -0.01 0.03 -0.04 0.93 0.87 1m9sA1 LEU 243 HD23 -0.03 -0.03 -0.00 -0.04 0.89 0.78 1m9sA1 ASN 244 H -0.02 0.52 0.29 -0.55 8.53 8.78 1m9sA1 ASN 244 HA 0.02 0.05 0.54 -0.75 4.76 4.61 1m9sA1 ASN 244 HB2 0.01 0.06 0.15 -0.04 2.88 3.06 1m9sA1 ASN 244 HB3 0.03 0.04 0.09 -0.04 2.79 2.92 1m9sA1 ASN 244 HD21 0.15 -0.02 -0.06 -0.04 7.03 7.05 1m9sA1 ASN 244 HD22 0.10 0.02 -0.04 -0.04 7.74 7.78 1m9sA1 LYS 245 H 0.02 0.10 0.17 -0.55 8.42 8.15 1m9sA1 LYS 245 HA 0.01 0.13 0.75 -0.75 4.32 4.46 1m9sA1 LYS 245 HB2 0.02 -0.03 0.16 -0.04 1.87 1.98 1m9sA1 LYS 245 HB3 0.01 0.04 0.08 -0.04 1.79 1.88 1m9sA1 LYS 245 HG2 0.01 0.04 0.00 -0.04 1.46 1.48 1m9sA1 LYS 245 HG3 0.02 -0.04 0.04 -0.04 1.46 1.43 1m9sA1 LYS 245 HD2 0.02 -0.01 0.04 -0.04 1.69 1.69 1m9sA1 LYS 245 HD3 0.01 0.00 0.03 -0.04 1.68 1.68 1m9sA1 LYS 245 HE2 0.01 0.01 0.01 -0.04 2.99 2.99 1m9sA1 LYS 245 HE3 0.02 -0.01 0.02 -0.04 2.99 2.98 1m9sA1 PRO 246 HA 0.00 0.28 0.36 -0.51 4.44 4.57 1m9sA1 PRO 246 HB2 0.02 -0.05 -0.03 -0.04 2.28 2.18 1m9sA1 PRO 246 HB3 0.02 0.02 -0.05 -0.04 2.02 1.97 1m9sA1 PRO 246 HG2 0.01 -0.01 0.06 -0.04 2.03 2.04 1m9sA1 PRO 246 HG3 0.00 0.03 0.08 -0.04 2.03 2.10 1m9sA1 PRO 246 HD2 0.01 0.04 0.18 -0.04 3.68 3.87 1m9sA1 PRO 246 HD3 0.00 0.21 0.30 -0.04 3.65 4.13 1m9sA1 ILE 247 H 0.01 0.57 0.31 -0.55 8.25 8.58 1m9sA1 ILE 247 HA 0.03 0.10 0.81 -0.75 4.18 4.37 1m9sA1 ILE 247 HB 0.03 -0.06 0.13 -0.04 1.89 1.94 1m9sA1 ILE 247 HG12 -0.00 0.09 -0.01 -0.04 1.49 1.53 1m9sA1 ILE 247 HG13 0.01 0.03 -0.27 -0.04 1.21 0.93 1m9sA1 ILE 247 HG23 0.03 0.04 -0.10 -0.04 0.93 0.85 1m9sA1 ILE 247 HD13 0.02 -0.03 -0.06 -0.04 0.88 0.78 1m9sA1 ASN 248 H 0.04 0.10 0.14 -0.55 8.53 8.26 1m9sA1 ASN 248 HA 0.09 0.01 0.52 -0.75 4.76 4.62 1m9sA1 ASN 248 HB2 0.04 -0.01 0.09 -0.04 2.88 2.96 1m9sA1 ASN 248 HB3 0.07 0.09 0.06 -0.04 2.79 2.97 1m9sA1 ASN 248 HD21 0.02 -0.00 0.02 -0.04 7.03 7.03 1m9sA1 ASN 248 HD22 0.03 0.01 0.03 -0.04 7.74 7.77 1m9sA1 HIS 249 H 0.24 0.06 0.22 -0.55 8.41 8.39 1m9sA1 HIS 249 HA 0.05 0.10 0.61 -0.75 4.63 4.63 1m9sA1 HIS 249 HB2 0.25 0.02 0.17 -0.04 3.26 3.66 1m9sA1 HIS 249 HB3 0.32 -0.06 0.18 -0.04 3.20 3.60 1m9sA1 HIS 249 HD2 -0.16 -0.11 0.12 -0.04 6.97 6.78 1m9sA1 HIS 249 HE1 0.12 0.01 -0.21 -0.04 7.75 7.63 1m9sA1 GLN 250 H -0.53 0.20 0.22 -0.55 8.47 7.81 1m9sA1 GLN 250 HA -0.03 0.21 0.75 -0.75 4.36 4.54 1m9sA1 GLN 250 HB2 -0.08 0.02 0.03 -0.04 2.15 2.08 1m9sA1 GLN 250 HB3 -0.06 -0.38 0.19 -0.04 2.02 1.73 1m9sA1 GLN 250 HG2 0.01 0.05 0.08 -0.04 2.40 2.50 1m9sA1 GLN 250 HG3 0.00 0.10 -0.28 -0.04 2.39 2.17 1m9sA1 GLN 250 HE21 0.01 0.00 -0.03 -0.04 6.97 6.91 1m9sA1 GLN 250 HE22 0.01 0.04 -0.06 -0.04 7.69 7.65 1m9sA1 SER 251 H -0.05 0.04 0.20 -0.55 8.46 8.10 1m9sA1 SER 251 HA -0.03 0.58 0.71 -0.75 4.49 5.00 1m9sA1 SER 251 HB2 -0.03 -0.06 -0.02 -0.04 3.95 3.79 1m9sA1 SER 251 HB3 0.06 0.10 0.12 -0.04 3.93 4.18 1m9sA1 ASN 252 H -0.06 -0.14 0.09 -0.55 8.53 7.87 1m9sA1 ASN 252 HA -0.14 0.29 0.84 -0.75 4.76 4.99 1m9sA1 ASN 252 HB2 -0.03 -0.05 -0.01 -0.04 2.88 2.75 1m9sA1 ASN 252 HB3 -0.05 0.03 0.09 -0.04 2.79 2.82 1m9sA1 ASN 252 HD21 -0.02 0.03 -0.01 -0.04 7.03 6.99 1m9sA1 ASN 252 HD22 -0.02 -0.01 0.02 -0.04 7.74 7.68 1m9sA1 LEU 253 H -0.05 -0.12 -0.32 -0.55 8.37 7.35 1m9sA1 LEU 253 HA 0.04 -0.06 0.29 -0.75 4.35 3.86 1m9sA1 LEU 253 HB2 -0.03 0.04 -0.13 -0.04 1.64 1.47 1m9sA1 LEU 253 HB3 0.28 -0.06 -0.11 -0.04 1.64 1.71 1m9sA1 LEU 253 HG 0.22 0.05 -0.29 -0.04 1.64 1.58 1m9sA1 LEU 253 HD13 -0.05 -0.03 -0.00 -0.04 0.93 0.81 1m9sA1 LEU 253 HD23 -0.24 -0.00 -0.15 -0.04 0.89 0.46 1m9sA1 VAL 254 H 0.09 0.17 0.10 -0.55 8.24 8.05 1m9sA1 VAL 254 HA 0.11 0.25 0.99 -0.75 4.13 4.73 1m9sA1 VAL 254 HB 0.04 -0.06 0.05 -0.04 2.12 2.11 1m9sA1 VAL 254 HG13 0.02 -0.01 -0.13 -0.04 0.97 0.80 1m9sA1 VAL 254 HG23 0.02 -0.00 -0.22 -0.04 0.95 0.70 1m9sA1 VAL 255 H 0.16 0.62 0.23 -0.55 8.24 8.70 1m9sA1 VAL 255 HA 0.14 0.22 1.00 -0.75 4.13 4.74 1m9sA1 VAL 255 HB 0.57 -0.01 0.05 -0.04 2.12 2.69 1m9sA1 VAL 255 HG13 0.25 0.03 -0.15 -0.04 0.97 1.06 1m9sA1 VAL 255 HG23 0.25 -0.02 -0.27 -0.04 0.95 0.87 1m9sA1 PRO 256 HA 0.04 0.09 0.50 -0.51 4.44 4.56 1m9sA1 PRO 256 HB2 0.06 -0.01 0.00 -0.04 2.28 2.29 1m9sA1 PRO 256 HB3 0.04 0.06 0.03 -0.04 2.02 2.10 1m9sA1 PRO 256 HG2 0.04 0.03 0.04 -0.04 2.03 2.09 1m9sA1 PRO 256 HG3 0.04 0.02 -0.01 -0.04 2.03 2.03 1m9sA1 PRO 256 HD2 0.08 0.10 0.19 -0.04 3.68 4.01 1m9sA1 PRO 256 HD3 0.07 0.20 0.10 -0.04 3.65 3.98 1m9sA1 ASN 257 H 0.04 0.71 0.41 -0.55 8.53 9.14 1m9sA1 ASN 257 HA -0.04 0.01 0.66 -0.75 4.76 4.63 1m9sA1 ASN 257 HB2 -0.06 0.02 0.05 -0.04 2.88 2.85 1m9sA1 ASN 257 HB3 0.05 0.05 0.24 -0.04 2.79 3.10 1m9sA1 ASN 257 HD21 -0.18 0.50 0.08 -0.04 7.03 7.39 1m9sA1 ASN 257 HD22 -0.12 -0.02 -0.07 -0.04 7.74 7.48 1m9sA1 THR 258 H 0.13 0.16 0.12 -0.55 8.28 8.14 1m9sA1 THR 258 HA 0.04 0.22 0.77 -0.75 4.39 4.66 1m9sA1 THR 258 HB 0.04 -0.04 0.11 -0.04 4.32 4.39 1m9sA1 THR 258 HG23 0.07 0.07 -0.17 -0.04 1.22 1.14 1m9sA1 VAL 259 H 0.02 0.08 -0.15 -0.55 8.24 7.65 1m9sA1 VAL 259 HA -0.06 0.42 0.82 -0.75 4.13 4.56 1m9sA1 VAL 259 HB -0.11 0.01 0.11 -0.04 2.12 2.09 1m9sA1 VAL 259 HG13 -0.56 -0.01 -0.21 -0.04 0.97 0.14 1m9sA1 VAL 259 HG23 -0.15 -0.02 -0.07 -0.04 0.95 0.67 1m9sA1 LYS 260 H -0.01 0.48 0.38 -0.55 8.42 8.72 1m9sA1 LYS 260 HA 0.00 0.30 0.99 -0.75 4.32 4.86 1m9sA1 LYS 260 HB2 -0.04 -0.21 -0.05 -0.04 1.87 1.53 1m9sA1 LYS 260 HB3 -0.01 0.13 -0.12 -0.04 1.79 1.74 1m9sA1 LYS 260 HG2 -0.01 0.15 0.00 -0.04 1.46 1.57 1m9sA1 LYS 260 HG3 -0.01 -0.09 -0.01 -0.04 1.46 1.30 1m9sA1 LYS 260 HD2 0.00 0.10 -0.13 -0.04 1.69 1.62 1m9sA1 LYS 260 HD3 0.01 -0.00 -0.45 -0.04 1.68 1.20 1m9sA1 LYS 260 HE2 0.01 0.02 -0.06 -0.04 2.99 2.92 1m9sA1 LYS 260 HE3 0.01 0.08 -0.06 -0.04 2.99 2.98 1m9sA1 ASN 261 H 0.00 0.73 0.10 -0.55 8.53 8.82 1m9sA1 ASN 261 HA -0.06 0.13 0.43 -0.75 4.76 4.51 1m9sA1 ASN 261 HB2 0.03 0.23 -0.03 -0.04 2.88 3.07 1m9sA1 ASN 261 HB3 -0.00 -0.24 -0.03 -0.04 2.79 2.48 1m9sA1 ASN 261 HD21 0.08 0.08 -0.09 -0.04 7.03 7.06 1m9sA1 ASN 261 HD22 0.07 0.06 -0.12 -0.04 7.74 7.71 1m9sA1 THR 262 H -0.08 0.19 0.02 -0.55 8.28 7.87 1m9sA1 THR 262 HA -0.08 0.13 0.02 -0.75 4.39 3.69 1m9sA1 THR 262 HB -0.05 -0.07 0.07 -0.04 4.32 4.23 1m9sA1 THR 262 HG23 -0.03 0.02 -0.18 -0.04 1.22 0.99 1m9sA1 ASP 263 H -0.02 -0.01 -0.32 -0.55 8.40 7.50 1m9sA1 ASP 263 HA -0.01 0.12 0.32 -0.75 4.63 4.30 1m9sA1 ASP 263 HB2 -0.00 -0.05 0.05 -0.04 2.71 2.67 1m9sA1 ASP 263 HB3 -0.00 -0.23 -0.06 -0.04 2.70 2.37 1m9sA1 GLY 264 H -0.02 0.10 -0.24 -0.55 8.43 7.73 1m9sA1 GLY 264 HA2 -0.02 0.01 0.22 -0.51 4.01 3.71 1m9sA1 GLY 264 HA3 -0.01 0.19 0.76 -0.51 4.01 4.44 1m9sA1 SER 265 H -0.00 -0.07 -0.10 -0.55 8.46 7.74 1m9sA1 SER 265 HA 0.01 0.11 0.44 -0.75 4.49 4.29 1m9sA1 SER 265 HB2 0.02 0.18 -0.02 -0.04 3.95 4.09 1m9sA1 SER 265 HB3 0.01 0.04 0.04 -0.04 3.93 3.99 1m9sA1 LEU 266 H 0.03 0.10 0.15 -0.55 8.37 8.10 1m9sA1 LEU 266 HA 0.02 0.22 0.57 -0.75 4.35 4.40 1m9sA1 LEU 266 HB2 0.07 -0.06 0.07 -0.04 1.64 1.69 1m9sA1 LEU 266 HB3 0.06 0.10 -0.04 -0.04 1.64 1.72 1m9sA1 LEU 266 HG 0.03 -0.08 0.07 -0.04 1.64 1.62 1m9sA1 LEU 266 HD13 0.07 0.01 0.08 -0.04 0.93 1.05 1m9sA1 LEU 266 HD23 0.02 0.02 -0.05 -0.04 0.89 0.84 1m9sA1 VAL 267 H 0.01 0.67 0.23 -0.55 8.24 8.60 1m9sA1 VAL 267 HA 0.06 0.03 0.55 -0.75 4.13 4.02 1m9sA1 VAL 267 HB -0.01 -0.02 -0.01 -0.04 2.12 2.03 1m9sA1 VAL 267 HG13 0.16 0.01 -0.29 -0.04 0.97 0.81 1m9sA1 VAL 267 HG23 0.15 -0.00 -0.28 -0.04 0.95 0.78 1m9sA1 THR 268 H 0.04 0.10 0.08 -0.55 8.28 7.95 1m9sA1 THR 268 HA -0.25 0.16 0.43 -0.75 4.39 3.98 1m9sA1 THR 268 HB 0.03 -0.05 0.03 -0.04 4.32 4.29 1m9sA1 THR 268 HG23 0.05 0.04 -0.08 -0.04 1.22 1.19 1m9sA1 PRO 269 HA 0.08 0.00 0.43 -0.51 4.44 4.44 1m9sA1 PRO 269 HB2 -0.28 0.02 -0.06 -0.04 2.28 1.92 1m9sA1 PRO 269 HB3 -0.08 -0.04 -0.08 -0.04 2.02 1.77 1m9sA1 PRO 269 HG2 -1.00 0.03 -0.03 -0.04 2.03 0.99 1m9sA1 PRO 269 HG3 -0.66 0.03 -0.01 -0.04 2.03 1.35 1m9sA1 PRO 269 HD2 -1.30 0.08 0.10 -0.04 3.68 2.52 1m9sA1 PRO 269 HD3 -1.04 0.21 0.20 -0.04 3.65 2.98 1m9sA1 GLU 270 H 0.11 0.26 0.39 -0.55 8.60 8.82 1m9sA1 GLU 270 HA 0.04 0.10 0.52 -0.75 4.29 4.20 1m9sA1 GLU 270 HB2 0.07 -0.06 0.13 -0.04 2.09 2.20 1m9sA1 GLU 270 HB3 0.02 -0.02 -0.02 -0.04 1.99 1.94 1m9sA1 GLU 270 HG2 0.14 -0.04 0.17 -0.04 2.34 2.56 1m9sA1 GLU 270 HG3 0.09 -0.06 0.04 -0.04 2.34 2.37 1m9sA1 ILE 271 H 0.08 0.19 0.15 -0.55 8.25 8.12 1m9sA1 ILE 271 HA 0.04 0.25 0.97 -0.75 4.18 4.68 1m9sA1 ILE 271 HB 0.05 -0.09 0.13 -0.04 1.89 1.94 1m9sA1 ILE 271 HG12 0.01 0.06 -0.07 -0.04 1.49 1.44 1m9sA1 ILE 271 HG13 0.01 -0.04 -0.44 -0.04 1.21 0.70 1m9sA1 ILE 271 HG23 0.05 0.00 -0.19 -0.04 0.93 0.75 1m9sA1 ILE 271 HD13 -0.02 -0.01 -0.05 -0.04 0.88 0.76 1m9sA1 ILE 272 H 0.05 0.28 0.13 -0.55 8.25 8.16 1m9sA1 ILE 272 HA 0.23 0.05 1.02 -0.75 4.18 4.73 1m9sA1 ILE 272 HB -0.03 0.23 0.10 -0.04 1.89 2.15 1m9sA1 ILE 272 HG12 -0.08 -0.06 -0.17 -0.04 1.49 1.14 1m9sA1 ILE 272 HG13 -0.02 -0.07 -0.28 -0.04 1.21 0.80 1m9sA1 ILE 272 HG23 -0.13 0.03 -0.14 -0.04 0.93 0.65 1m9sA1 ILE 272 HD13 -0.15 0.06 -0.28 -0.04 0.88 0.47 1m9sA1 SER 273 H 0.37 0.68 0.38 -0.55 8.46 9.34 1m9sA1 SER 273 HA 0.15 0.05 0.41 -0.75 4.49 4.36 1m9sA1 SER 273 HB2 0.11 -0.04 0.13 -0.04 3.95 4.11 1m9sA1 SER 273 HB3 0.20 0.19 0.17 -0.04 3.93 4.46 1m9sA1 ASP 274 H 0.13 0.11 0.16 -0.55 8.40 8.26 1m9sA1 ASP 274 HA 0.12 0.02 0.37 -0.75 4.63 4.39 1m9sA1 ASP 274 HB2 0.29 0.04 -0.02 -0.04 2.71 2.99 1m9sA1 ASP 274 HB3 0.14 0.01 0.16 -0.04 2.70 2.97 1m9sA1 ASP 275 H 0.11 0.06 -0.20 -0.55 8.40 7.83 1m9sA1 ASP 275 HA 0.06 0.04 0.30 -0.75 4.63 4.27 1m9sA1 ASP 275 HB2 0.07 -0.11 -0.15 -0.04 2.71 2.48 1m9sA1 ASP 275 HB3 0.09 0.08 0.03 -0.04 2.70 2.87 1m9sA1 GLY 276 H 0.12 0.61 -0.29 -0.55 8.43 8.31 1m9sA1 GLY 276 HA2 -0.21 0.05 0.72 -0.51 4.01 4.05 1m9sA1 GLY 276 HA3 -0.69 -0.03 0.26 -0.51 4.01 3.04 1m9sA1 ASP 277 H -0.30 0.49 0.35 -0.55 8.40 8.39 1m9sA1 ASP 277 HA -0.10 0.20 0.93 -0.75 4.63 4.91 1m9sA1 ASP 277 HB2 -0.09 0.01 0.07 -0.04 2.71 2.66 1m9sA1 ASP 277 HB3 -0.07 -0.06 0.11 -0.04 2.70 2.64 1m9sA1 TYR 278 H -0.01 0.21 0.17 -0.55 8.29 8.11 1m9sA1 TYR 278 HA -0.23 0.21 1.10 -0.75 4.56 4.89 1m9sA1 TYR 278 HB2 -0.20 0.00 -0.14 -0.04 3.06 2.68 1m9sA1 TYR 278 HB3 -0.12 -0.03 0.09 -0.04 2.98 2.89 1m9sA1 TYR 278 HD2 -0.16 -0.00 -0.20 -0.04 7.15 6.75 1m9sA1 TYR 278 HE2 -0.10 -0.06 -0.33 -0.04 6.85 6.32 1m9sA1 GLU 279 H -0.34 0.83 0.30 -0.55 8.60 8.85 1m9sA1 GLU 279 HA -0.33 0.13 0.89 -0.75 4.29 4.23 1m9sA1 GLU 279 HB2 -0.17 0.03 0.03 -0.04 2.09 1.93 1m9sA1 GLU 279 HB3 -0.17 -0.04 -0.04 -0.04 1.99 1.70 1m9sA1 GLU 279 HG2 -0.12 -0.01 0.05 -0.04 2.34 2.21 1m9sA1 GLU 279 HG3 -0.12 0.02 -0.16 -0.04 2.34 2.03 1m9sA1 LYS 280 H -0.26 0.11 0.12 -0.55 8.42 7.84 1m9sA1 LYS 280 HA -0.20 0.02 0.36 -0.75 4.32 3.75 1m9sA1 LYS 280 HB2 -0.12 -0.03 0.11 -0.04 1.87 1.79 1m9sA1 LYS 280 HB3 -0.13 0.02 0.06 -0.04 1.79 1.71 1m9sA1 LYS 280 HG2 -0.06 -0.02 0.03 -0.04 1.46 1.36 1m9sA1 LYS 280 HG3 -0.07 0.05 -0.03 -0.04 1.46 1.37 1m9sA1 LYS 280 HD2 -0.08 0.00 0.02 -0.04 1.69 1.60 1m9sA1 LYS 280 HD3 -0.07 -0.02 0.04 -0.04 1.68 1.60 1m9sA1 LYS 280 HE2 -0.03 -0.01 -0.00 -0.04 2.99 2.90 1m9sA1 LYS 280 HE3 -0.03 0.01 -0.04 -0.04 2.99 2.89 1m9sA1 PRO 281 HA 0.05 0.24 1.01 -0.51 4.44 5.22 1m9sA1 PRO 281 HB2 0.02 0.02 0.18 -0.04 2.28 2.45 1m9sA1 PRO 281 HB3 -0.01 0.00 0.02 -0.04 2.02 1.99 1m9sA1 PRO 281 HG2 -0.02 0.02 -0.08 -0.04 2.03 1.91 1m9sA1 PRO 281 HG3 -0.02 0.01 0.02 -0.04 2.03 2.00 1m9sA1 PRO 281 HD2 -0.09 0.06 0.13 -0.04 3.68 3.74 1m9sA1 PRO 281 HD3 -0.07 0.03 0.11 -0.04 3.65 3.68 1m9sA1 ASN 282 H -0.16 0.48 0.18 -0.55 8.53 8.48 1m9sA1 ASN 282 HA 0.03 0.18 1.11 -0.75 4.76 5.32 1m9sA1 ASN 282 HB2 -0.08 -0.05 -0.01 -0.04 2.88 2.70 1m9sA1 ASN 282 HB3 -0.02 0.03 -0.13 -0.04 2.79 2.62 1m9sA1 ASN 282 HD21 -0.03 -0.01 -0.08 -0.04 7.03 6.88 1m9sA1 ASN 282 HD22 -0.06 -0.01 -0.06 -0.04 7.74 7.57 1m9sA1 VAL 283 H -0.04 0.68 0.30 -0.55 8.24 8.63 1m9sA1 VAL 283 HA -0.14 0.17 0.92 -0.75 4.13 4.32 1m9sA1 VAL 283 HB -0.26 0.00 0.12 -0.04 2.12 1.95 1m9sA1 VAL 283 HG13 -1.06 0.00 -0.16 -0.04 0.97 -0.29 1m9sA1 VAL 283 HG23 -0.65 -0.01 -0.07 -0.04 0.95 0.18 1m9sA1 LYS 284 H -0.40 0.64 0.25 -0.55 8.42 8.36 1m9sA1 LYS 284 HA -0.10 0.27 1.12 -0.75 4.32 4.86 1m9sA1 LYS 284 HB2 -0.14 -0.11 -0.02 -0.04 1.87 1.56 1m9sA1 LYS 284 HB3 -0.06 0.20 0.05 -0.04 1.79 1.94 1m9sA1 LYS 284 HG2 -0.05 0.05 -0.16 -0.04 1.46 1.26 1m9sA1 LYS 284 HG3 -0.12 -0.09 -0.50 -0.04 1.46 0.70 1m9sA1 LYS 284 HD2 -0.08 -0.07 -0.11 -0.04 1.69 1.39 1m9sA1 LYS 284 HD3 -0.09 -0.05 -0.12 -0.04 1.68 1.39 1m9sA1 LYS 284 HE2 -0.04 0.10 -0.04 -0.04 2.99 2.96 1m9sA1 LYS 284 HE3 -0.03 0.03 -0.05 -0.04 2.99 2.90 1m9sA1 TRP 285 H 0.27 0.63 0.18 -0.55 7.97 8.50 1m9sA1 TRP 285 HA 0.04 0.17 0.91 -0.75 4.62 4.98 1m9sA1 TRP 285 HB2 -0.01 0.00 -0.08 -0.04 3.23 3.10 1m9sA1 TRP 285 HB3 0.02 -0.13 -0.00 -0.04 3.23 3.07 1m9sA1 TRP 285 HD1 0.04 0.16 -0.07 -0.04 7.22 7.31 1m9sA1 TRP 285 HE1 0.06 -0.01 -0.17 -0.04 10.20 10.04 1m9sA1 TRP 285 HE3 0.02 0.04 -0.28 -0.04 7.59 7.32 1m9sA1 TRP 285 HZ2 0.21 -0.00 -0.21 -0.04 7.44 7.39 1m9sA1 TRP 285 HZ3 0.06 0.03 -0.18 -0.04 7.13 7.00 1m9sA1 TRP 285 HH2 0.26 0.01 -0.18 -0.04 7.19 7.23 1m9sA1 HIS 286 H 0.31 0.16 0.13 -0.55 8.41 8.46 1m9sA1 HIS 286 HA 0.09 0.38 0.96 -0.75 4.63 5.30 1m9sA1 HIS 286 HB2 0.06 -0.00 0.02 -0.04 3.26 3.30 1m9sA1 HIS 286 HB3 0.08 -0.04 0.04 -0.04 3.20 3.24 1m9sA1 HIS 286 HD2 0.02 -0.02 0.01 -0.04 6.97 6.94 1m9sA1 HIS 286 HE1 0.04 -0.05 0.05 -0.04 7.75 7.74 1m9sA1 LEU 287 H 0.24 -0.04 -0.03 -0.55 8.37 7.99 1m9sA1 LEU 287 HA 0.16 -0.07 0.30 -0.75 4.35 3.98 1m9sA1 LEU 287 HB2 -0.03 0.20 0.09 -0.04 1.64 1.86 1m9sA1 LEU 287 HB3 0.14 -0.02 0.00 -0.04 1.64 1.72 1m9sA1 LEU 287 HG 0.13 -0.07 -0.12 -0.04 1.64 1.54 1m9sA1 LEU 287 HD13 -0.23 -0.01 -0.07 -0.04 0.93 0.57 1m9sA1 LEU 287 HD23 0.06 -0.01 0.03 -0.04 0.89 0.92 1m9sA1 PRO 288 HA 0.19 0.09 0.61 -0.51 4.44 4.82 1m9sA1 PRO 288 HB2 0.10 -0.09 0.07 -0.04 2.28 2.32 1m9sA1 PRO 288 HB3 0.14 -0.01 0.11 -0.04 2.02 2.22 1m9sA1 PRO 288 HG2 0.03 -0.05 0.03 -0.04 2.03 2.01 1m9sA1 PRO 288 HG3 0.45 0.17 0.07 -0.04 2.03 2.68 1m9sA1 PRO 288 HD2 0.13 -0.04 0.08 -0.04 3.68 3.81 1m9sA1 PRO 288 HD3 0.27 -0.01 -0.57 -0.04 3.65 3.30 1m9sA1 GLU 289 H 0.13 -0.02 -0.16 -0.55 8.60 8.01 1m9sA1 GLU 289 HA 0.10 0.16 0.67 -0.75 4.29 4.46 1m9sA1 GLU 289 HB2 0.07 0.01 0.07 -0.04 2.09 2.20 1m9sA1 GLU 289 HB3 0.07 -0.06 0.20 -0.04 1.99 2.15 1m9sA1 GLU 289 HG2 0.06 0.05 -0.05 -0.04 2.34 2.36 1m9sA1 GLU 289 HG3 0.06 -0.03 -0.01 -0.04 2.34 2.32 1m9sA1 PHE 290 H 0.10 0.15 0.14 -0.55 8.34 8.18 1m9sA1 PHE 290 HA -0.34 0.28 0.94 -0.75 4.62 4.75 1m9sA1 PHE 290 HB2 -0.46 0.08 -0.13 -0.04 3.15 2.60 1m9sA1 PHE 290 HB3 -0.17 -0.06 0.04 -0.04 3.06 2.83 1m9sA1 PHE 290 HD2 -0.59 -0.00 -0.10 -0.04 7.28 6.55 1m9sA1 PHE 290 HE2 -0.04 -0.07 -0.04 -0.04 7.38 7.19 1m9sA1 PHE 290 HZ -0.04 0.07 -0.05 -0.04 7.32 7.26 1m9sA1 THR 291 H -0.96 0.31 0.14 -0.55 8.28 7.23 1m9sA1 THR 291 HA -0.45 0.12 0.78 -0.75 4.39 4.09 1m9sA1 THR 291 HB -0.22 -0.02 0.04 -0.04 4.32 4.07 1m9sA1 THR 291 HG23 -0.10 -0.01 -0.16 -0.04 1.22 0.91 1m9sA1 ASN 292 H -0.25 0.11 0.15 -0.55 8.53 7.99 1m9sA1 ASN 292 HA -0.13 0.10 0.41 -0.75 4.76 4.39 1m9sA1 ASN 292 HB2 -0.10 -0.04 0.21 -0.04 2.88 2.90 1m9sA1 ASN 292 HB3 -0.08 0.02 0.01 -0.04 2.79 2.70 1m9sA1 ASN 292 HD21 0.01 0.01 0.03 -0.04 7.03 7.04 1m9sA1 ASN 292 HD22 -0.03 -0.02 0.06 -0.04 7.74 7.71 1m9sA1 GLU 293 H -0.17 0.10 0.01 -0.55 8.60 7.99 1m9sA1 GLU 293 HA -0.17 0.28 0.79 -0.75 4.29 4.43 1m9sA1 GLU 293 HB2 -0.12 -0.00 -0.08 -0.04 2.09 1.84 1m9sA1 GLU 293 HB3 -0.09 0.01 -0.18 -0.04 1.99 1.69 1m9sA1 GLU 293 HG2 -0.09 -0.12 -0.05 -0.04 2.34 2.03 1m9sA1 GLU 293 HG3 -0.10 0.01 -0.26 -0.04 2.34 1.95 1m9sA1 VAL 294 H -0.24 0.41 0.22 -0.55 8.24 8.08 1m9sA1 VAL 294 HA -0.28 0.08 0.69 -0.75 4.13 3.86 1m9sA1 VAL 294 HB -0.71 0.04 -0.25 -0.04 2.12 1.16 1m9sA1 VAL 294 HG13 -1.29 0.03 -0.17 -0.04 0.97 -0.51 1m9sA1 VAL 294 HG23 -1.36 -0.02 -0.01 -0.04 0.95 -0.49 1m9sA1 SER 295 H 0.09 0.22 0.20 -0.55 8.46 8.42 1m9sA1 SER 295 HA 0.12 0.19 0.49 -0.75 4.49 4.53 1m9sA1 SER 295 HB2 -0.08 0.10 0.13 -0.04 3.95 4.05 1m9sA1 SER 295 HB3 -0.07 0.09 0.12 -0.04 3.93 4.04 1m9sA1 PHE 296 H -0.30 0.50 0.39 -0.55 8.34 8.38 1m9sA1 PHE 296 HA 0.13 0.21 0.94 -0.75 4.62 5.14 1m9sA1 PHE 296 HB2 0.05 0.03 0.02 -0.04 3.15 3.21 1m9sA1 PHE 296 HB3 0.16 0.02 -0.04 -0.04 3.06 3.16 1m9sA1 PHE 296 HD2 0.25 -0.02 -0.26 -0.04 7.28 7.22 1m9sA1 PHE 296 HE2 0.13 0.02 -0.11 -0.04 7.38 7.38 1m9sA1 PHE 296 HZ 0.05 -0.06 -0.02 -0.04 7.32 7.25 1m9sA1 ILE 297 H 0.22 0.51 0.32 -0.55 8.25 8.75 1m9sA1 ILE 297 HA -0.07 0.18 1.14 -0.75 4.18 4.68 1m9sA1 ILE 297 HB 0.06 -0.07 0.20 -0.04 1.89 2.04 1m9sA1 ILE 297 HG12 -0.04 0.02 -0.01 -0.04 1.49 1.41 1m9sA1 ILE 297 HG13 0.02 -0.03 -0.26 -0.04 1.21 0.91 1m9sA1 ILE 297 HG23 0.02 0.00 -0.11 -0.04 0.93 0.80 1m9sA1 ILE 297 HD13 0.02 -0.00 -0.05 -0.04 0.88 0.80 1m9sA1 PHE 298 H -0.49 0.78 0.43 -0.55 8.34 8.51 1m9sA1 PHE 298 HA 0.09 0.05 1.06 -0.75 4.62 5.06 1m9sA1 PHE 298 HB2 -0.00 0.07 -0.09 -0.04 3.15 3.08 1m9sA1 PHE 298 HB3 0.12 0.01 -0.19 -0.04 3.06 2.96 1m9sA1 PHE 298 HD2 -0.24 0.03 -0.25 -0.04 7.28 6.78 1m9sA1 PHE 298 HE2 -1.24 -0.00 -0.50 -0.04 7.38 5.60 1m9sA1 PHE 298 HZ -0.53 0.11 -0.33 -0.04 7.32 6.54 1m9sA1 TYR 299 H 0.21 0.32 0.12 -0.55 8.29 8.38 1m9sA1 TYR 299 HA -0.00 0.10 0.75 -0.75 4.56 4.65 1m9sA1 TYR 299 HB2 -0.03 -0.02 -0.10 -0.04 3.06 2.88 1m9sA1 TYR 299 HB3 0.01 0.02 0.14 -0.04 2.98 3.11 1m9sA1 TYR 299 HD2 -0.10 0.01 -0.12 -0.04 7.15 6.89 1m9sA1 TYR 299 HE2 -0.06 -0.00 -0.07 -0.04 6.85 6.68 1m9sA1 GLN 300 H -0.14 0.59 0.09 -0.55 8.47 8.46 1m9sA1 GLN 300 HA 0.09 0.23 0.94 -0.75 4.36 4.86 1m9sA1 GLN 300 HB2 0.16 0.03 -0.15 -0.04 2.15 2.16 1m9sA1 GLN 300 HB3 0.25 0.01 0.02 -0.04 2.02 2.25 1m9sA1 GLN 300 HG2 0.17 -0.10 -0.14 -0.04 2.40 2.29 1m9sA1 GLN 300 HG3 0.12 0.06 -0.57 -0.04 2.39 1.96 1m9sA1 GLN 300 HE21 0.08 0.01 0.02 -0.04 6.97 7.04 1m9sA1 GLN 300 HE22 0.10 -0.08 -0.02 -0.04 7.69 7.65 1m9sA1 PRO 301 HA -0.02 0.10 0.73 -0.51 4.44 4.74 1m9sA1 PRO 301 HB2 0.05 0.06 0.04 -0.04 2.28 2.38 1m9sA1 PRO 301 HB3 0.06 -0.02 0.10 -0.04 2.02 2.12 1m9sA1 PRO 301 HG2 0.06 0.03 0.17 -0.04 2.03 2.25 1m9sA1 PRO 301 HG3 0.09 0.04 0.09 -0.04 2.03 2.21 1m9sA1 PRO 301 HD2 0.09 0.12 0.25 -0.04 3.68 4.10 1m9sA1 PRO 301 HD3 0.14 0.12 0.12 -0.04 3.65 3.99 1m9sA1 VAL 302 H 0.04 0.57 0.39 -0.55 8.24 8.69 1m9sA1 VAL 302 HA 0.03 0.21 0.98 -0.75 4.13 4.60 1m9sA1 VAL 302 HB -0.00 -0.02 -0.04 -0.04 2.12 2.02 1m9sA1 VAL 302 HG13 0.09 0.05 -0.21 -0.04 0.97 0.85 1m9sA1 VAL 302 HG23 0.02 -0.01 -0.26 -0.04 0.95 0.66 1m9sA1 THR 303 H 0.01 0.21 0.11 -0.55 8.28 8.07 1m9sA1 THR 303 HA 0.00 0.37 0.90 -0.75 4.39 4.92 1m9sA1 THR 303 HB 0.02 -0.02 -0.14 -0.04 4.32 4.13 1m9sA1 THR 303 HG23 0.01 -0.02 -0.01 -0.04 1.22 1.16 1m9sA1 ILE 304 H -0.01 0.54 0.05 -0.55 8.25 8.27 1m9sA1 ILE 304 HA -0.02 0.11 0.74 -0.75 4.18 4.26 1m9sA1 ILE 304 HB -0.04 0.01 -0.09 -0.04 1.89 1.73 1m9sA1 ILE 304 HG12 -0.05 -0.07 -0.13 -0.04 1.49 1.20 1m9sA1 ILE 304 HG13 -0.03 0.02 -0.29 -0.04 1.21 0.86 1m9sA1 ILE 304 HG23 -0.04 -0.04 -0.30 -0.04 0.93 0.51 1m9sA1 ILE 304 HD13 -0.03 -0.00 -0.32 -0.04 0.88 0.48 1m9sA1 GLY 305 H -0.01 0.13 0.05 -0.55 8.43 8.05 1m9sA1 GLY 305 HA2 -0.01 0.05 0.39 -0.51 4.01 3.92 1m9sA1 GLY 305 HA3 -0.02 0.15 0.61 -0.51 4.01 4.24 1m9sA1 LYS 306 H -0.01 0.57 0.16 -0.55 8.42 8.59 1m9sA1 LYS 306 HA 0.00 0.09 0.77 -0.75 4.32 4.43 1m9sA1 LYS 306 HB2 0.00 0.13 0.16 -0.04 1.87 2.13 1m9sA1 LYS 306 HB3 0.01 -0.10 0.20 -0.04 1.79 1.86 1m9sA1 LYS 306 HG2 0.00 -0.02 -0.10 -0.04 1.46 1.30 1m9sA1 LYS 306 HG3 -0.00 0.06 -0.13 -0.04 1.46 1.35 1m9sA1 LYS 306 HD2 0.00 0.04 0.02 -0.04 1.69 1.71 1m9sA1 LYS 306 HD3 0.00 -0.07 0.02 -0.04 1.68 1.59 1m9sA1 LYS 306 HE2 0.00 -0.04 -0.02 -0.04 2.99 2.89 1m9sA1 LYS 306 HE3 -0.00 0.10 0.00 -0.04 2.99 3.05 1m9sA1 ALA 307 H -0.01 0.26 -0.40 -0.55 8.40 7.70 1m9sA1 ALA 307 HA 0.00 0.25 1.02 -0.75 4.34 4.86 1m9sA1 ALA 307 HB3 -0.02 -0.02 -0.50 -0.04 1.41 0.83 1m9sA1 LYS 308 H 0.02 0.19 0.19 -0.55 8.42 8.27 1m9sA1 LYS 308 HA 0.02 0.24 0.90 -0.75 4.32 4.72 1m9sA1 LYS 308 HB2 0.03 -0.03 0.09 -0.04 1.87 1.91 1m9sA1 LYS 308 HB3 0.04 -0.02 0.06 -0.04 1.79 1.83 1m9sA1 LYS 308 HG2 0.02 0.02 -0.13 -0.04 1.46 1.33 1m9sA1 LYS 308 HG3 0.03 -0.02 -0.02 -0.04 1.46 1.40 1m9sA1 LYS 308 HD2 0.03 -0.03 -0.08 -0.04 1.69 1.57 1m9sA1 LYS 308 HD3 0.02 0.08 -0.08 -0.04 1.68 1.66 1m9sA1 LYS 308 HE2 0.02 -0.02 -0.12 -0.04 2.99 2.82 1m9sA1 LYS 308 HE3 0.01 0.03 -0.29 -0.04 2.99 2.71 1m9sA1 ALA 309 H 0.03 0.60 0.39 -0.55 8.40 8.88 1m9sA1 ALA 309 HA 0.07 0.09 0.60 -0.75 4.34 4.35 1m9sA1 ALA 309 HB3 0.04 0.00 -0.21 -0.04 1.41 1.20 1m9sA1 ARG 310 H 0.12 0.10 0.13 -0.55 8.46 8.25 1m9sA1 ARG 310 HA -0.06 0.20 0.92 -0.75 4.34 4.65 1m9sA1 ARG 310 HB2 0.11 -0.06 0.13 -0.04 1.90 2.04 1m9sA1 ARG 310 HB3 -0.12 -0.01 -0.09 -0.04 1.80 1.55 1m9sA1 ARG 310 HG2 -0.08 0.02 -0.08 -0.04 1.67 1.49 1m9sA1 ARG 310 HG3 -0.10 0.08 -0.08 -0.04 1.67 1.52 1m9sA1 ARG 310 HD2 0.10 -0.04 -0.03 -0.04 3.22 3.22 1m9sA1 ARG 310 HD3 0.12 0.05 -0.06 -0.04 3.22 3.29 1m9sA1 PHE 311 H 0.11 0.69 0.12 -0.55 8.34 8.72 1m9sA1 PHE 311 HA 0.08 0.23 0.66 -0.75 4.62 4.84 1m9sA1 PHE 311 HB2 0.04 -0.06 -0.05 -0.04 3.15 3.04 1m9sA1 PHE 311 HB3 0.08 0.09 0.15 -0.04 3.06 3.34 1m9sA1 PHE 311 HD2 0.09 0.05 -0.10 -0.04 7.28 7.27 1m9sA1 PHE 311 HE2 -0.09 0.06 -0.29 -0.04 7.38 7.01 1m9sA1 PHE 311 HZ -0.21 -0.06 -0.33 -0.04 7.32 6.68 1m9sA1 HIS 312 H -0.00 0.46 0.24 -0.55 8.41 8.55 1m9sA1 HIS 312 HA -0.90 0.31 0.82 -0.75 4.63 4.11 1m9sA1 HIS 312 HB2 -0.19 0.04 0.16 -0.04 3.26 3.23 1m9sA1 HIS 312 HB3 -0.16 -0.09 -0.15 -0.04 3.20 2.76 1m9sA1 HIS 312 HD2 -0.17 0.17 0.11 -0.04 6.97 7.03 1m9sA1 HIS 312 HE1 0.02 0.03 0.03 -0.04 7.75 7.78 1m9sA1 GLY 313 H -1.53 0.71 0.49 -0.55 8.43 7.56 1m9sA1 GLY 313 HA2 -0.91 -0.04 0.54 -0.51 4.01 3.09 1m9sA1 GLY 313 HA3 -0.56 0.17 0.68 -0.51 4.01 3.79 1m9sA1 ARG 314 H -0.22 0.59 0.42 -0.55 8.46 8.69 1m9sA1 ARG 314 HA -0.20 0.17 1.10 -0.75 4.34 4.66 1m9sA1 ARG 314 HB2 -0.11 -0.05 0.03 -0.04 1.90 1.72 1m9sA1 ARG 314 HB3 -0.12 -0.01 0.11 -0.04 1.80 1.74 1m9sA1 ARG 314 HG2 -0.15 0.02 -0.14 -0.04 1.67 1.36 1m9sA1 ARG 314 HG3 -0.10 0.06 -0.02 -0.04 1.67 1.57 1m9sA1 ARG 314 HD2 -0.05 -0.02 -0.07 -0.04 3.22 3.04 1m9sA1 ARG 314 HD3 -0.07 -0.02 -0.09 -0.04 3.22 3.00 1m9sA1 VAL 315 H -0.43 0.57 0.32 -0.55 8.24 8.15 1m9sA1 VAL 315 HA -0.16 0.35 1.11 -0.75 4.13 4.67 1m9sA1 VAL 315 HB -1.62 -0.07 0.17 -0.04 2.12 0.55 1m9sA1 VAL 315 HG13 -0.03 0.01 -0.14 -0.04 0.97 0.77 1m9sA1 VAL 315 HG23 -0.03 -0.02 -0.16 -0.04 0.95 0.70 1m9sA1 THR 316 H -0.12 0.42 0.24 -0.55 8.28 8.26 1m9sA1 THR 316 HA -0.11 0.14 0.90 -0.75 4.39 4.57 1m9sA1 THR 316 HB -0.08 -0.01 0.13 -0.04 4.32 4.32 1m9sA1 THR 316 HG23 -0.07 0.00 -0.16 -0.04 1.22 0.95 1m9sA1 GLN 317 H -0.11 0.73 0.30 -0.55 8.47 8.84 1m9sA1 GLN 317 HA -0.04 0.22 0.96 -0.75 4.36 4.75 1m9sA1 GLN 317 HB2 0.03 0.01 -0.16 -0.04 2.15 1.99 1m9sA1 GLN 317 HB3 -0.23 -0.11 0.01 -0.04 2.02 1.66 1m9sA1 GLN 317 HG2 -0.04 -0.03 -0.12 -0.04 2.40 2.16 1m9sA1 GLN 317 HG3 -0.15 -0.02 -0.22 -0.04 2.39 1.97 1m9sA1 GLN 317 HE21 -0.00 0.07 -0.23 -0.04 6.97 6.76 1m9sA1 GLN 317 HE22 -0.04 0.35 -0.41 -0.04 7.69 7.54 1m9sA1 PRO 318 HA -0.07 0.02 0.51 -0.51 4.44 4.40 1m9sA1 PRO 318 HB2 -0.01 -0.04 0.06 -0.04 2.28 2.24 1m9sA1 PRO 318 HB3 -0.02 0.04 0.08 -0.04 2.02 2.07 1m9sA1 PRO 318 HG2 -0.02 0.13 0.03 -0.04 2.03 2.12 1m9sA1 PRO 318 HG3 -0.04 -0.04 -0.02 -0.04 2.03 1.89 1m9sA1 PRO 318 HD2 -0.02 0.15 -0.07 -0.04 3.68 3.69 1m9sA1 PRO 318 HD3 -0.05 0.17 -0.24 -0.04 3.65 3.49 1m9sA1 LEU 319 H -0.05 0.72 0.42 -0.55 8.37 8.92 1m9sA1 LEU 319 HA 0.03 0.42 0.81 -0.75 4.35 4.85 1m9sA1 LEU 319 HB2 -0.10 0.26 0.12 -0.04 1.64 1.88 1m9sA1 LEU 319 HB3 0.11 -0.13 0.08 -0.04 1.64 1.66 1m9sA1 LEU 319 HG -0.16 0.07 -0.23 -0.04 1.64 1.28 1m9sA1 LEU 319 HD13 -0.20 -0.03 -0.11 -0.04 0.93 0.55 1m9sA1 LEU 319 HD23 -0.07 0.03 -0.20 -0.04 0.89 0.61 1m9sA1 GLU 391 HA -0.14 -0.01 0.14 -0.75 4.29 3.53 1m9sA1 GLU 391 HB2 -0.05 -0.03 -0.09 -0.04 2.09 1.88 1m9sA1 GLU 391 HB3 -0.08 0.01 0.03 -0.04 1.99 1.90 1m9sA1 GLU 391 HG2 -0.10 0.00 0.02 -0.04 2.34 2.22 1m9sA1 GLU 391 HG3 -0.07 -0.02 0.03 -0.04 2.34 2.23 1m9sA1 THR 392 H -0.02 0.17 0.06 -0.55 8.28 7.94 1m9sA1 THR 392 HA 0.01 -0.03 0.34 -0.75 4.39 3.95 1m9sA1 THR 392 HB 0.04 -0.15 0.07 -0.04 4.32 4.24 1m9sA1 THR 392 HG23 0.03 -0.01 -0.20 -0.04 1.22 1.00 1m9sA1 THR 393 H 0.03 0.15 0.16 -0.55 8.28 8.07 1m9sA1 THR 393 HA 0.11 0.34 0.87 -0.75 4.39 4.95 1m9sA1 THR 393 HB 0.04 -0.05 0.12 -0.04 4.32 4.39 1m9sA1 THR 393 HG23 0.14 -0.08 0.05 -0.04 1.22 1.29 1m9sA1 GLU 394 H 0.02 0.19 0.01 -0.55 8.60 8.28 1m9sA1 GLU 394 HA 0.00 0.22 0.73 -0.75 4.29 4.49 1m9sA1 GLU 394 HB2 -0.02 -0.01 -0.01 -0.04 2.09 2.01 1m9sA1 GLU 394 HB3 -0.05 -0.02 0.19 -0.04 1.99 2.07 1m9sA1 GLU 394 HG2 -0.01 0.03 -0.02 -0.04 2.34 2.30 1m9sA1 GLU 394 HG3 -0.02 0.00 0.03 -0.04 2.34 2.31 1m9sA1 LYS 395 H 0.03 0.15 -0.36 -0.55 8.42 7.68 1m9sA1 LYS 395 HA -0.01 0.17 0.41 -0.75 4.32 4.14 1m9sA1 LYS 395 HB2 0.04 0.04 0.05 -0.04 1.87 1.95 1m9sA1 LYS 395 HB3 0.07 -0.08 0.12 -0.04 1.79 1.86 1m9sA1 LYS 395 HG2 0.04 -0.01 -0.00 -0.04 1.46 1.45 1m9sA1 LYS 395 HG3 0.03 0.04 0.12 -0.04 1.46 1.61 1m9sA1 LYS 395 HD2 0.05 0.01 0.04 -0.04 1.69 1.75 1m9sA1 LYS 395 HD3 0.09 -0.01 0.05 -0.04 1.68 1.78 1m9sA1 LYS 395 HE2 0.04 0.01 0.01 -0.04 2.99 3.01 1m9sA1 LYS 395 HE3 0.02 -0.00 0.02 -0.04 2.99 2.99 1m9sA1 THR 396 H -0.01 0.32 0.48 -0.55 8.28 8.52 1m9sA1 THR 396 HA 0.00 0.13 0.62 -0.75 4.39 4.39 1m9sA1 THR 396 HB -0.00 0.01 -0.03 -0.04 4.32 4.25 1m9sA1 THR 396 HG23 0.00 -0.01 0.12 -0.04 1.22 1.29 1m9sA1 VAL 397 H -0.01 0.09 0.29 -0.55 8.24 8.06 1m9sA1 VAL 397 HA -0.01 0.21 0.97 -0.75 4.13 4.55 1m9sA1 VAL 397 HB -0.02 0.03 0.02 -0.04 2.12 2.11 1m9sA1 VAL 397 HG13 -0.05 -0.02 0.06 -0.04 0.97 0.92 1m9sA1 VAL 397 HG23 -0.00 -0.01 -0.07 -0.04 0.95 0.83 1m9sA1 ASN 398 H -0.00 0.19 0.06 -0.55 8.53 8.24 1m9sA1 ASN 398 HA -0.01 0.42 0.88 -0.75 4.76 5.29 1m9sA1 ASN 398 HB2 -0.01 -0.05 0.16 -0.04 2.88 2.94 1m9sA1 ASN 398 HB3 -0.01 0.05 0.07 -0.04 2.79 2.86 1m9sA1 ASN 398 HD21 -0.00 0.00 -0.14 -0.04 7.03 6.85 1m9sA1 ASN 398 HD22 -0.00 -0.02 -0.07 -0.04 7.74 7.60 1m9sA1 LEU 399 H 0.01 0.11 -0.02 -0.55 8.37 7.92 1m9sA1 LEU 399 HA 0.01 0.18 0.68 -0.75 4.35 4.46 1m9sA1 LEU 399 HB2 0.05 -0.13 -0.00 -0.04 1.64 1.51 1m9sA1 LEU 399 HB3 0.02 0.02 0.04 -0.04 1.64 1.68 1m9sA1 LEU 399 HG 0.14 0.03 -0.07 -0.04 1.64 1.71 1m9sA1 LEU 399 HD13 0.03 0.02 -0.09 -0.04 0.93 0.86 1m9sA1 LEU 399 HD23 0.04 -0.04 -0.19 -0.04 0.89 0.65 1m9sA1 THR 400 H -0.01 0.15 0.07 -0.55 8.28 7.94 1m9sA1 THR 400 HA -0.11 0.80 1.12 -0.75 4.39 5.45 1m9sA1 THR 400 HB -0.01 -0.07 0.24 -0.04 4.32 4.45 1m9sA1 THR 400 HG23 -0.13 0.00 -0.00 -0.04 1.22 1.05 1m9sA1 ARG 401 H -0.13 0.08 -0.10 -0.55 8.46 7.76 1m9sA1 ARG 401 HA 0.07 0.43 1.02 -0.75 4.34 5.11 1m9sA1 ARG 401 HB2 -0.11 -0.15 -0.10 -0.04 1.90 1.50 1m9sA1 ARG 401 HB3 -0.05 0.46 0.13 -0.04 1.80 2.30 1m9sA1 ARG 401 HG2 -0.02 0.08 -0.13 -0.04 1.67 1.56 1m9sA1 ARG 401 HG3 -0.04 -0.21 -0.21 -0.04 1.67 1.16 1m9sA1 ARG 401 HD2 -0.28 -0.09 -0.16 -0.04 3.22 2.65 1m9sA1 ARG 401 HD3 -0.19 0.17 -0.20 -0.04 3.22 2.96 1m9sA1 TYR 402 H 0.22 0.38 -0.17 -0.55 8.29 8.16 1m9sA1 TYR 402 HA -0.03 0.23 0.79 -0.75 4.56 4.80 1m9sA1 TYR 402 HB2 -0.03 -0.10 -0.32 -0.04 3.06 2.56 1m9sA1 TYR 402 HB3 -0.03 0.10 -0.14 -0.04 2.98 2.87 1m9sA1 TYR 402 HD2 -0.04 0.15 -0.25 -0.04 7.15 6.97 1m9sA1 TYR 402 HE2 -0.03 0.07 -0.06 -0.04 6.85 6.79 1m9sA1 VAL 403 H 0.02 0.16 -0.05 -0.55 8.24 7.82 1m9sA1 VAL 403 HA -0.02 -0.15 0.38 -0.75 4.13 3.58 1m9sA1 VAL 403 HB -0.03 -0.08 -0.07 -0.04 2.12 1.90 1m9sA1 VAL 403 HG13 0.02 -0.00 -0.19 -0.04 0.97 0.76 1m9sA1 VAL 403 HG23 -0.02 0.08 -0.33 -0.04 0.95 0.64 1m9sA1 LYS 404 H -0.01 0.25 0.21 -0.55 8.42 8.32 1m9sA1 LYS 404 HA 0.10 -0.07 0.45 -0.75 4.32 4.04 1m9sA1 LYS 404 HB2 -0.01 -0.15 0.05 -0.04 1.87 1.71 1m9sA1 LYS 404 HB3 -0.02 0.00 0.13 -0.04 1.79 1.86 1m9sA1 LYS 404 HG2 -0.03 0.38 0.21 -0.04 1.46 1.98 1m9sA1 LYS 404 HG3 -0.01 0.15 -0.07 -0.04 1.46 1.50 1m9sA1 LYS 404 HD2 -0.06 -0.16 -0.08 -0.04 1.69 1.36 1m9sA1 LYS 404 HD3 -0.06 0.17 -0.02 -0.04 1.68 1.73 1m9sA1 LYS 404 HE2 -0.05 -0.00 0.04 -0.04 2.99 2.94 1m9sA1 LYS 404 HE3 -0.03 -0.09 -0.16 -0.04 2.99 2.66 1m9sA1 TYR 405 H 0.32 0.05 0.23 -0.55 8.29 8.34 1m9sA1 TYR 405 HA 0.06 0.08 0.32 -0.75 4.56 4.26 1m9sA1 TYR 405 HB2 0.04 0.05 0.15 -0.04 3.06 3.26 1m9sA1 TYR 405 HB3 0.32 -0.09 0.05 -0.04 2.98 3.21 1m9sA1 TYR 405 HD2 0.02 0.01 -0.21 -0.04 7.15 6.93 1m9sA1 TYR 405 HE2 0.17 -0.02 -0.06 -0.04 6.85 6.90 1m9sA1 ILE 406 H 0.16 -0.05 -0.35 -0.55 8.25 7.46 1m9sA1 ILE 406 HA 0.16 0.04 0.42 -0.75 4.18 4.04 1m9sA1 ILE 406 HB -0.00 -0.01 0.01 -0.04 1.89 1.85 1m9sA1 ILE 406 HG12 -0.10 -0.10 -0.03 -0.04 1.49 1.22 1m9sA1 ILE 406 HG13 -0.03 0.08 -0.18 -0.04 1.21 1.04 1m9sA1 ILE 406 HG23 0.02 0.02 -0.15 -0.04 0.93 0.78 1m9sA1 ILE 406 HD13 -0.15 0.01 -0.04 -0.04 0.88 0.66 1m9sA1 ARG 407 H 0.03 0.13 0.12 -0.55 8.46 8.19 1m9sA1 ARG 407 HA 0.01 -0.01 0.34 -0.75 4.34 3.92 1m9sA1 ARG 407 HB2 -0.01 -0.01 -0.03 -0.04 1.90 1.81 1m9sA1 ARG 407 HB3 -0.02 0.22 -0.13 -0.04 1.80 1.83 1m9sA1 ARG 407 HG2 -0.02 0.00 0.02 -0.04 1.67 1.63 1m9sA1 ARG 407 HG3 -0.01 -0.04 0.16 -0.04 1.67 1.74 1m9sA1 ARG 407 HD2 0.00 -0.11 -0.02 -0.04 3.22 3.05 1m9sA1 ARG 407 HD3 -0.00 0.03 0.03 -0.04 3.22 3.24 1m9sA1 GLY 408 H -0.00 0.08 -0.54 -0.55 8.43 7.42 1m9sA1 GLY 408 HA2 -0.03 0.13 0.42 -0.51 4.01 4.02 1m9sA1 GLY 408 HA3 -0.07 0.04 0.33 -0.51 4.01 3.79 1m9sA1 ASN 409 H 0.00 -0.09 -1.20 -0.55 8.53 6.69 1m9sA1 ASN 409 HA 0.01 0.18 0.64 -0.75 4.76 4.84 1m9sA1 ASN 409 HB2 0.01 -0.03 -0.05 -0.04 2.88 2.78 1m9sA1 ASN 409 HB3 0.01 -0.03 -0.03 -0.04 2.79 2.70 1m9sA1 ASN 409 HD21 0.02 -0.01 0.03 -0.04 7.03 7.04 1m9sA1 ASN 409 HD22 0.02 -0.02 0.01 -0.04 7.74 7.71 1m9sA1 ALA 410 H 0.01 0.32 -0.31 -0.55 8.40 7.87 1m9sA1 ALA 410 HA 0.03 -0.05 0.48 -0.75 4.34 4.05 1m9sA1 ALA 410 HB3 0.01 0.03 0.10 -0.04 1.41 1.50 1m9sA1 GLY 411 H 0.10 0.09 0.25 -0.55 8.43 8.32 1m9sA1 GLY 411 HA2 0.01 0.11 0.60 -0.51 4.01 4.22 1m9sA1 GLY 411 HA3 0.05 0.03 0.36 -0.51 4.01 3.94 1m9sA1 ILE 412 H -0.03 0.23 -0.08 -0.55 8.25 7.81 1m9sA1 ILE 412 HA 0.27 0.27 0.81 -0.75 4.18 4.77 1m9sA1 ILE 412 HB 0.04 -0.09 -0.17 -0.04 1.89 1.62 1m9sA1 ILE 412 HG12 0.09 0.06 -0.32 -0.04 1.49 1.28 1m9sA1 ILE 412 HG13 0.05 -0.03 -0.28 -0.04 1.21 0.91 1m9sA1 ILE 412 HG23 0.15 -0.00 -0.21 -0.04 0.93 0.82 1m9sA1 ILE 412 HD13 -0.01 -0.01 -0.23 -0.04 0.88 0.59 1m9sA1 TYR 413 H 0.52 1.08 0.44 -0.55 8.29 9.77 1m9sA1 TYR 413 HA 0.09 0.02 1.27 -0.75 4.56 5.19 1m9sA1 TYR 413 HB2 0.21 0.06 0.11 -0.04 3.06 3.40 1m9sA1 TYR 413 HB3 0.05 0.01 0.26 -0.04 2.98 3.26 1m9sA1 TYR 413 HD2 0.18 0.06 -0.18 -0.04 7.15 7.17 1m9sA1 TYR 413 HE2 0.12 -0.09 -0.48 -0.04 6.85 6.36 1m9sA1 LYS 414 H 0.11 0.50 0.35 -0.55 8.42 8.82 1m9sA1 LYS 414 HA 0.04 0.04 0.57 -0.75 4.32 4.23 1m9sA1 LYS 414 HB2 0.00 -0.00 0.11 -0.04 1.87 1.95 1m9sA1 LYS 414 HB3 -0.04 -0.04 0.19 -0.04 1.79 1.86 1m9sA1 LYS 414 HG2 -0.11 0.02 -0.15 -0.04 1.46 1.18 1m9sA1 LYS 414 HG3 -0.03 -0.00 0.04 -0.04 1.46 1.42 1m9sA1 LYS 414 HD2 -0.02 0.01 0.00 -0.04 1.69 1.64 1m9sA1 LYS 414 HD3 -0.05 -0.01 -0.01 -0.04 1.68 1.57 1m9sA1 LYS 414 HE2 -0.07 -0.00 -0.03 -0.04 2.99 2.85 1m9sA1 LYS 414 HE3 -0.03 0.00 -0.01 -0.04 2.99 2.91 1m9sA1 LEU 415 H -0.09 0.10 0.14 -0.55 8.37 7.96 1m9sA1 LEU 415 HA -0.70 0.26 0.81 -0.75 4.35 3.96 1m9sA1 LEU 415 HB2 -0.24 -0.08 -0.01 -0.04 1.64 1.27 1m9sA1 LEU 415 HB3 -0.39 0.08 -0.04 -0.04 1.64 1.25 1m9sA1 LEU 415 HG -0.30 0.08 -0.06 -0.04 1.64 1.32 1m9sA1 LEU 415 HD13 -0.14 -0.04 -0.19 -0.04 0.93 0.52 1m9sA1 LEU 415 HD23 -0.17 -0.00 -0.04 -0.04 0.89 0.64 1m9sA1 PRO 416 HA -1.17 0.08 0.32 -0.51 4.44 3.16 1m9sA1 PRO 416 HB2 -1.13 -0.07 0.11 -0.04 2.28 1.15 1m9sA1 PRO 416 HB3 0.17 0.04 0.01 -0.04 2.02 2.19 1m9sA1 PRO 416 HG2 -0.51 0.01 0.06 -0.04 2.03 1.55 1m9sA1 PRO 416 HG3 -0.41 0.12 0.02 -0.04 2.03 1.72 1m9sA1 PRO 416 HD2 -0.80 0.08 0.14 -0.04 3.68 3.06 1m9sA1 PRO 416 HD3 -1.96 0.19 0.09 -0.04 3.65 1.93 1m9sA1 ARG 417 H -0.80 0.61 0.42 -0.55 8.46 8.13 1m9sA1 ARG 417 HA -0.40 0.10 0.58 -0.75 4.34 3.86 1m9sA1 ARG 417 HB2 -0.22 0.01 -0.10 -0.04 1.90 1.55 1m9sA1 ARG 417 HB3 -0.15 -0.07 -0.06 -0.04 1.80 1.49 1m9sA1 ARG 417 HG2 -0.23 0.06 -0.04 -0.04 1.67 1.42 1m9sA1 ARG 417 HG3 -0.33 -0.02 -0.61 -0.04 1.67 0.67 1m9sA1 ARG 417 HD2 -0.13 -0.03 -0.12 -0.04 3.22 2.90 1m9sA1 ARG 417 HD3 -0.10 -0.03 -0.07 -0.04 3.22 2.97 1m9sA1 GLU 418 H -0.00 0.18 0.00 -0.55 8.60 8.24 1m9sA1 GLU 418 HA -0.45 0.23 0.89 -0.75 4.29 4.21 1m9sA1 GLU 418 HB2 0.19 0.01 -0.01 -0.04 2.09 2.24 1m9sA1 GLU 418 HB3 0.06 0.01 0.21 -0.04 1.99 2.22 1m9sA1 GLU 418 HG2 0.05 -0.03 -0.04 -0.04 2.34 2.29 1m9sA1 GLU 418 HG3 -0.02 0.03 -0.01 -0.04 2.34 2.31 1m9sA1 ASP 419 H -0.03 0.38 -0.24 -0.55 8.40 7.97 1m9sA1 ASP 419 HA 0.11 0.17 0.80 -0.75 4.63 4.95 1m9sA1 ASP 419 HB2 0.06 -0.04 0.02 -0.04 2.71 2.71 1m9sA1 ASP 419 HB3 0.03 0.10 -0.10 -0.04 2.70 2.69 1m9sA1 ASN 420 H 0.17 0.24 0.08 -0.55 8.53 8.46 1m9sA1 ASN 420 HA 0.16 0.10 0.34 -0.75 4.76 4.60 1m9sA1 ASN 420 HB2 0.07 -0.00 0.08 -0.04 2.88 2.99 1m9sA1 ASN 420 HB3 0.05 0.07 0.08 -0.04 2.79 2.95 1m9sA1 ASN 420 HD21 0.08 0.02 0.02 -0.04 7.03 7.11 1m9sA1 ASN 420 HD22 0.04 0.03 0.04 -0.04 7.74 7.82 1m9sA1 SER 421 H 0.09 0.02 -0.48 -0.55 8.46 7.54 1m9sA1 SER 421 HA 0.03 0.13 0.48 -0.75 4.49 4.38 1m9sA1 SER 421 HB2 0.02 0.05 0.08 -0.04 3.95 4.05 1m9sA1 SER 421 HB3 0.03 -0.01 0.05 -0.04 3.93 3.96 1m9sA1 LEU 422 H 0.14 0.62 -0.27 -0.55 8.37 8.32 1m9sA1 LEU 422 HA 0.03 0.21 0.83 -0.75 4.35 4.67 1m9sA1 LEU 422 HB2 0.05 -0.01 -0.01 -0.04 1.64 1.62 1m9sA1 LEU 422 HB3 0.19 0.09 0.15 -0.04 1.64 2.03 1m9sA1 LEU 422 HG 0.08 -0.37 0.39 -0.04 1.64 1.70 1m9sA1 LEU 422 HD13 -0.02 0.04 0.07 -0.04 0.93 0.98 1m9sA1 LEU 422 HD23 -0.07 0.02 0.08 -0.04 0.89 0.88 1m9sA1 LYS 423 H -0.04 0.39 -0.31 -0.55 8.42 7.91 1m9sA1 LYS 423 HA -0.52 0.14 0.94 -0.75 4.32 4.13 1m9sA1 LYS 423 HB2 -0.46 -0.13 0.08 -0.04 1.87 1.33 1m9sA1 LYS 423 HB3 -0.17 0.10 0.26 -0.04 1.79 1.94 1m9sA1 LYS 423 HG2 -0.23 -0.11 0.02 -0.04 1.46 1.10 1m9sA1 LYS 423 HG3 -0.68 -0.01 0.01 -0.04 1.46 0.75 1m9sA1 LYS 423 HD2 -0.11 -0.02 0.08 -0.04 1.69 1.59 1m9sA1 LYS 423 HD3 -0.13 0.11 0.12 -0.04 1.68 1.74 1m9sA1 LYS 423 HE2 -0.20 -0.04 -0.01 -0.04 2.99 2.69 1m9sA1 LYS 423 HE3 -0.11 -0.07 0.05 -0.04 2.99 2.81 1m9sA1 GLN 424 H -0.07 0.18 0.23 -0.55 8.47 8.27 1m9sA1 GLN 424 HA -0.02 0.08 0.36 -0.75 4.36 4.03 1m9sA1 GLN 424 HB2 0.04 -0.05 -0.16 -0.04 2.15 1.93 1m9sA1 GLN 424 HB3 0.03 -0.00 0.02 -0.04 2.02 2.03 1m9sA1 GLN 424 HG2 0.02 0.02 -0.05 -0.04 2.40 2.35 1m9sA1 GLN 424 HG3 0.05 -0.07 -0.24 -0.04 2.39 2.09 1m9sA1 GLN 424 HE21 0.04 0.04 -0.02 -0.04 6.97 6.99 1m9sA1 GLN 424 HE22 0.02 -0.01 -0.01 -0.04 7.69 7.64 1m9sA1 GLY 425 H -0.11 0.29 -0.30 -0.55 8.43 7.76 1m9sA1 GLY 425 HA2 -0.03 0.08 0.24 -0.51 4.01 3.79 1m9sA1 GLY 425 HA3 -0.00 0.06 0.64 -0.51 4.01 4.20 1m9sA1 THR 426 H 0.02 0.27 0.11 -0.55 8.28 8.14 1m9sA1 THR 426 HA 0.01 0.05 0.68 -0.75 4.39 4.37 1m9sA1 THR 426 HB 0.01 -0.07 -0.07 -0.04 4.32 4.15 1m9sA1 THR 426 HG23 0.02 0.00 -0.37 -0.04 1.22 0.82 1m9sA1 LEU 427 H 0.04 0.84 0.16 -0.55 8.37 8.86 1m9sA1 LEU 427 HA 0.13 -0.03 0.70 -0.75 4.35 4.39 1m9sA1 LEU 427 HB2 0.01 -0.06 -0.07 -0.04 1.64 1.48 1m9sA1 LEU 427 HB3 0.02 0.14 0.07 -0.04 1.64 1.83 1m9sA1 LEU 427 HG 0.03 0.05 -0.36 -0.04 1.64 1.32 1m9sA1 LEU 427 HD13 0.02 -0.05 -0.08 -0.04 0.93 0.78 1m9sA1 LEU 427 HD23 -0.04 -0.00 -0.17 -0.04 0.89 0.64 1m9sA1 ALA 428 H 0.17 -0.21 0.25 -0.55 8.40 8.06 1m9sA1 ALA 428 HA -0.03 0.10 0.47 -0.75 4.34 4.12 1m9sA1 ALA 428 HB3 -0.02 0.20 0.00 -0.04 1.41 1.56 1m9sA1 SER 429 H 0.02 0.11 0.22 -0.55 8.46 8.27 1m9sA1 SER 429 HA -0.11 0.16 0.50 -0.75 4.49 4.29 1m9sA1 SER 429 HB2 -0.61 0.03 0.03 -0.04 3.95 3.36 1m9sA1 SER 429 HB3 -0.21 0.05 0.14 -0.04 3.93 3.87 1m9sA1 HIS 430 H 0.13 -0.06 -0.40 -0.55 8.41 7.54 1m9sA1 HIS 430 HA -0.01 0.27 0.85 -0.75 4.63 4.99 1m9sA1 HIS 430 HB2 -0.02 -0.00 -0.07 -0.04 3.26 3.13 1m9sA1 HIS 430 HB3 -0.02 0.06 0.05 -0.04 3.20 3.25 1m9sA1 HIS 430 HD2 -0.01 0.06 -0.09 -0.04 6.97 6.89 1m9sA1 HIS 430 HE1 0.00 0.07 -0.00 -0.04 7.75 7.78 1m9sA1 ARG 431 H -0.02 0.29 -0.31 -0.55 8.46 7.88 1m9sA1 ARG 431 HA -0.00 0.04 0.17 -0.75 4.34 3.79 1m9sA1 ARG 431 HB2 -0.11 -0.00 0.04 -0.04 1.90 1.79 1m9sA1 ARG 431 HB3 -0.20 -0.01 -0.06 -0.04 1.80 1.49 1m9sA1 ARG 431 HG2 -0.23 0.05 0.02 -0.04 1.67 1.48 1m9sA1 ARG 431 HG3 -0.15 0.14 0.16 -0.04 1.67 1.77 1m9sA1 ARG 431 HD2 -0.61 -0.06 0.04 -0.04 3.22 2.55 1m9sA1 ARG 431 HD3 -1.31 0.04 0.09 -0.04 3.22 2.00 1m9sA1 CYS 432 H 0.04 0.09 -0.32 -0.55 8.50 7.76 1m9sA1 CYS 432 HA 0.09 0.29 1.10 -0.75 4.58 5.32 1m9sA1 CYS 432 HB2 0.06 -0.01 0.08 -0.04 2.97 3.07 1m9sA1 CYS 432 HB3 0.02 -0.01 0.15 -0.04 2.97 3.09 1m9sA1 LYS 433 H 0.08 0.35 -0.07 -0.55 8.42 8.22 1m9sA1 LYS 433 HA 0.06 0.16 0.91 -0.75 4.32 4.70 1m9sA1 LYS 433 HB2 -0.01 0.08 -0.08 -0.04 1.87 1.82 1m9sA1 LYS 433 HB3 0.03 0.01 -0.09 -0.04 1.79 1.70 1m9sA1 LYS 433 HG2 0.05 -0.12 -0.14 -0.04 1.46 1.21 1m9sA1 LYS 433 HG3 0.03 0.06 0.01 -0.04 1.46 1.52 1m9sA1 LYS 433 HD2 0.14 -0.08 0.00 -0.04 1.69 1.71 1m9sA1 LYS 433 HD3 0.04 0.03 -0.10 -0.04 1.68 1.61 1m9sA1 LYS 433 HE2 0.02 0.01 -0.05 -0.04 2.99 2.94 1m9sA1 LYS 433 HE3 0.02 -0.01 -0.04 -0.04 2.99 2.93 1m9sA1 ALA 434 H -0.05 0.12 0.11 -0.55 8.40 8.04 1m9sA1 ALA 434 HA -1.06 0.11 0.52 -0.75 4.34 3.15 1m9sA1 ALA 434 HB3 -0.11 -0.00 0.10 -0.04 1.41 1.35 1m9sA1 LEU 435 H -0.46 0.54 0.25 -0.55 8.37 8.16 1m9sA1 LEU 435 HA -0.12 0.21 0.94 -0.75 4.35 4.63 1m9sA1 LEU 435 HB2 -0.15 0.04 0.02 -0.04 1.64 1.50 1m9sA1 LEU 435 HB3 -0.10 -0.13 0.08 -0.04 1.64 1.45 1m9sA1 LEU 435 HG -0.13 0.26 -0.16 -0.04 1.64 1.56 1m9sA1 LEU 435 HD13 -0.06 -0.03 -0.08 -0.04 0.93 0.72 1m9sA1 LEU 435 HD23 -0.04 0.04 -0.27 -0.04 0.89 0.59 1m9sA1 THR 436 H -0.07 0.15 0.15 -0.55 8.28 7.96 1m9sA1 THR 436 HA -0.06 0.64 1.06 -0.75 4.39 5.28 1m9sA1 THR 436 HB -0.03 -0.11 0.19 -0.04 4.32 4.32 1m9sA1 THR 436 HG23 -0.02 0.04 -0.04 -0.04 1.22 1.16 1m9sA1 VAL 437 H -0.02 0.07 0.07 -0.55 8.24 7.82 1m9sA1 VAL 437 HA -0.04 0.20 0.75 -0.75 4.13 4.29 1m9sA1 VAL 437 HB 0.12 -0.05 -0.04 -0.04 2.12 2.10 1m9sA1 VAL 437 HG13 0.09 -0.12 -0.14 -0.04 0.97 0.76 1m9sA1 VAL 437 HG23 0.01 -0.00 -0.18 -0.04 0.95 0.74 1m9sA1 ASP 438 H -0.09 0.10 0.09 -0.55 8.40 7.95 1m9sA1 ASP 438 HA -0.03 0.40 0.63 -0.75 4.63 4.87 1m9sA1 ASP 438 HB2 -0.01 0.16 -0.11 -0.04 2.71 2.71 1m9sA1 ASP 438 HB3 -0.01 -0.13 0.07 -0.04 2.70 2.60 1m9sA1 ARG 439 H -0.03 0.23 0.17 -0.55 8.46 8.27 1m9sA1 ARG 439 HA 0.01 -0.04 0.64 -0.75 4.34 4.19 1m9sA1 ARG 439 HB2 0.32 0.01 0.25 -0.04 1.90 2.43 1m9sA1 ARG 439 HB3 0.36 0.10 0.13 -0.04 1.80 2.35 1m9sA1 ARG 439 HG2 0.09 -0.02 0.05 -0.04 1.67 1.75 1m9sA1 ARG 439 HG3 0.10 -0.02 0.09 -0.04 1.67 1.80 1m9sA1 ARG 439 HD2 0.22 0.02 0.04 -0.04 3.22 3.46 1m9sA1 ARG 439 HD3 0.17 0.03 0.05 -0.04 3.22 3.43 1m9sA1 GLU 440 H -0.12 0.11 0.18 -0.55 8.60 8.22 1m9sA1 GLU 440 HA -0.54 0.17 0.54 -0.75 4.29 3.71 1m9sA1 GLU 440 HB2 -0.14 -0.11 0.09 -0.04 2.09 1.89 1m9sA1 GLU 440 HB3 -0.34 0.02 0.24 -0.04 1.99 1.87 1m9sA1 GLU 440 HG2 -0.65 -0.03 -0.01 -0.04 2.34 1.62 1m9sA1 GLU 440 HG3 -0.23 0.16 0.07 -0.04 2.34 2.30 1m9sA1 ALA 441 H -0.07 0.29 0.30 -0.55 8.40 8.36 1m9sA1 ALA 441 HA 0.14 0.21 0.30 -0.75 4.34 4.24 1m9sA1 ALA 441 HB3 0.49 0.02 0.00 -0.04 1.41 1.88 1m9sA1 ARG 442 H 0.14 0.23 -0.01 -0.55 8.46 8.27 1m9sA1 ARG 442 HA 0.26 0.23 0.32 -0.75 4.34 4.40 1m9sA1 ARG 442 HB2 0.07 -0.05 -0.05 -0.04 1.90 1.82 1m9sA1 ARG 442 HB3 0.09 -0.02 -0.00 -0.04 1.80 1.82 1m9sA1 ARG 442 HG2 0.09 0.01 0.02 -0.04 1.67 1.75 1m9sA1 ARG 442 HG3 0.07 0.18 -0.27 -0.04 1.67 1.60 1m9sA1 ARG 442 HD2 0.04 -0.05 -0.09 -0.04 3.22 3.08 1m9sA1 ARG 442 HD3 0.04 0.01 -0.03 -0.04 3.22 3.20 1m9sA1 ASN 443 H 0.40 0.32 0.12 -0.55 8.53 8.83 1m9sA1 ASN 443 HA 0.05 0.15 0.92 -0.75 4.76 5.12 1m9sA1 ASN 443 HB2 -0.19 0.05 0.10 -0.04 2.88 2.80 1m9sA1 ASN 443 HB3 -0.00 0.00 0.08 -0.04 2.79 2.83 1m9sA1 ASN 443 HD21 -0.03 -0.07 -0.01 -0.04 7.03 6.89 1m9sA1 ASN 443 HD22 0.06 -0.06 -0.10 -0.04 7.74 7.60 1m9sA1 GLY 444 H 0.06 0.21 0.18 -0.55 8.43 8.33 1m9sA1 GLY 444 HA2 0.06 0.04 0.35 -0.51 4.01 3.96 1m9sA1 GLY 444 HA3 0.10 0.06 0.42 -0.51 4.01 4.08 1m9sA1 GLY 445 H 0.10 0.10 -0.92 -0.55 8.43 7.17 1m9sA1 GLY 445 HA2 0.06 0.01 0.20 -0.51 4.01 3.77 1m9sA1 GLY 445 HA3 0.05 0.17 0.67 -0.51 4.01 4.39 1m9sA1 LYS 446 H 0.13 0.28 -0.47 -0.55 8.42 7.81 1m9sA1 LYS 446 HA 0.02 0.04 0.55 -0.75 4.32 4.18 1m9sA1 LYS 446 HB2 0.06 0.07 0.04 -0.04 1.87 2.00 1m9sA1 LYS 446 HB3 -0.17 -0.05 0.00 -0.04 1.79 1.53 1m9sA1 LYS 446 HG2 -0.02 -0.00 -0.02 -0.04 1.46 1.37 1m9sA1 LYS 446 HG3 0.03 0.08 -0.03 -0.04 1.46 1.50 1m9sA1 LYS 446 HD2 -0.06 -0.00 -0.01 -0.04 1.69 1.58 1m9sA1 LYS 446 HD3 -0.14 -0.06 0.00 -0.04 1.68 1.45 1m9sA1 LYS 446 HE2 -0.04 0.00 -0.00 -0.04 2.99 2.91 1m9sA1 LYS 446 HE3 -0.01 0.04 0.00 -0.04 2.99 2.98 1m9sA1 LEU 447 H 0.01 0.09 0.21 -0.55 8.37 8.13 1m9sA1 LEU 447 HA 0.23 0.23 0.62 -0.75 4.35 4.67 1m9sA1 LEU 447 HB2 0.07 0.08 0.18 -0.04 1.64 1.93 1m9sA1 LEU 447 HB3 0.07 -0.10 0.20 -0.04 1.64 1.77 1m9sA1 LEU 447 HG 0.30 -0.10 -0.26 -0.04 1.64 1.54 1m9sA1 LEU 447 HD13 -0.17 -0.03 0.22 -0.04 0.93 0.92 1m9sA1 LEU 447 HD23 0.12 -0.01 0.01 -0.04 0.89 0.97 1m9sA1 TRP 448 H 0.39 0.20 0.07 -0.55 7.97 8.08 1m9sA1 TRP 448 HA 0.12 0.09 0.97 -0.75 4.62 5.04 1m9sA1 TRP 448 HB2 0.29 -0.03 -0.07 -0.04 3.23 3.38 1m9sA1 TRP 448 HB3 0.22 0.17 0.11 -0.04 3.23 3.69 1m9sA1 TRP 448 HD1 0.10 -0.03 -0.14 -0.04 7.22 7.11 1m9sA1 TRP 448 HE1 0.04 0.15 -0.08 -0.04 10.20 10.27 1m9sA1 TRP 448 HE3 0.24 0.14 -0.35 -0.04 7.59 7.58 1m9sA1 TRP 448 HZ2 -0.05 -0.02 -0.26 -0.04 7.44 7.07 1m9sA1 TRP 448 HZ3 -0.09 0.09 -0.16 -0.04 7.13 6.93 1m9sA1 TRP 448 HH2 -0.29 -0.01 -0.61 -0.04 7.19 6.24 1m9sA1 TYR 449 H 0.13 0.41 0.13 -0.55 8.29 8.41 1m9sA1 TYR 449 HA -0.47 0.18 0.77 -0.75 4.56 4.28 1m9sA1 TYR 449 HB2 -0.17 -0.02 -0.21 -0.04 3.06 2.62 1m9sA1 TYR 449 HB3 -0.24 -0.02 -0.22 -0.04 2.98 2.46 1m9sA1 TYR 449 HD2 -0.11 -0.14 -0.52 -0.04 7.15 6.34 1m9sA1 TYR 449 HE2 -0.06 -0.04 -0.13 -0.04 6.85 6.58 1m9sA1 ARG 450 H -0.52 0.05 -0.02 -0.55 8.46 7.42 1m9sA1 ARG 450 HA -0.89 0.37 0.98 -0.75 4.34 4.04 1m9sA1 ARG 450 HB2 -0.65 0.24 0.15 -0.04 1.90 1.60 1m9sA1 ARG 450 HB3 -0.18 -0.47 0.28 -0.04 1.80 1.39 1m9sA1 ARG 450 HG2 0.10 0.27 -0.10 -0.04 1.67 1.89 1m9sA1 ARG 450 HG3 1.01 0.06 0.02 -0.04 1.67 2.72 1m9sA1 ARG 450 HD2 0.25 0.05 -0.02 -0.04 3.22 3.45 1m9sA1 ARG 450 HD3 0.27 -0.05 0.07 -0.04 3.22 3.47 1m9sA1 LEU 451 H -0.11 0.63 0.13 -0.55 8.37 8.47 1m9sA1 LEU 451 HA -0.07 0.01 0.61 -0.75 4.35 4.14 1m9sA1 LEU 451 HB2 -0.07 -0.03 -0.08 -0.04 1.64 1.42 1m9sA1 LEU 451 HB3 -0.09 0.01 -0.07 -0.04 1.64 1.44 1m9sA1 LEU 451 HG -0.09 -0.07 -0.24 -0.04 1.64 1.20 1m9sA1 LEU 451 HD13 -0.07 -0.03 -0.21 -0.04 0.93 0.58 1m9sA1 LEU 451 HD23 -0.14 -0.02 -0.17 -0.04 0.89 0.52 1m9sA1 LYS 452 H -0.03 0.57 0.33 -0.55 8.42 8.74 1m9sA1 LYS 452 HA 0.01 -0.02 0.41 -0.75 4.32 3.97 1m9sA1 LYS 452 HB2 -0.01 0.25 0.26 -0.04 1.87 2.33 1m9sA1 LYS 452 HB3 -0.02 -0.09 0.25 -0.04 1.79 1.89 1m9sA1 LYS 452 HG2 0.01 -0.02 -0.11 -0.04 1.46 1.29 1m9sA1 LYS 452 HG3 0.01 -0.02 0.04 -0.04 1.46 1.45 1m9sA1 LYS 452 HD2 -0.01 0.05 0.04 -0.04 1.69 1.73 1m9sA1 LYS 452 HD3 -0.01 -0.03 0.03 -0.04 1.68 1.64 1m9sA1 LYS 452 HE2 0.00 -0.02 -0.02 -0.04 2.99 2.92 1m9sA1 LYS 452 HE3 0.00 -0.00 -0.00 -0.04 2.99 2.95 1m9sA1 ASN 453 H 0.03 0.14 0.22 -0.55 8.53 8.38 1m9sA1 ASN 453 HA 0.04 -0.02 0.37 -0.75 4.76 4.39 1m9sA1 ASN 453 HB2 0.02 0.28 0.23 -0.04 2.88 3.38 1m9sA1 ASN 453 HB3 0.03 -0.05 0.12 -0.04 2.79 2.85 1m9sA1 ASN 453 HD21 0.02 -0.01 -0.02 -0.04 7.03 6.97 1m9sA1 ASN 453 HD22 0.02 0.01 0.04 -0.04 7.74 7.78 1m9sA1 ILE 454 H 0.01 0.37 -0.99 -0.55 8.25 7.09 1m9sA1 ILE 454 HA 0.02 0.11 0.80 -0.75 4.18 4.36 1m9sA1 ILE 454 HB -0.09 -0.07 -0.14 -0.04 1.89 1.55 1m9sA1 ILE 454 HG12 -0.05 0.00 -0.18 -0.04 1.49 1.22 1m9sA1 ILE 454 HG13 -0.04 0.23 -0.26 -0.04 1.21 1.10 1m9sA1 ILE 454 HG23 -0.16 -0.02 -0.08 -0.04 0.93 0.62 1m9sA1 ILE 454 HD13 -0.32 -0.04 -0.10 -0.04 0.88 0.37 1m9sA1 GLY 455 H 0.06 0.02 0.03 -0.55 8.43 8.00 1m9sA1 GLY 455 HA2 0.25 0.11 0.27 -0.51 4.01 4.13 1m9sA1 GLY 455 HA3 0.17 -0.06 0.33 -0.51 4.01 3.94 1m9sA1 TRP 456 H 0.41 0.64 0.31 -0.55 7.97 8.78 1m9sA1 TRP 456 HA 0.17 0.37 1.14 -0.75 4.62 5.55 1m9sA1 TRP 456 HB2 0.11 0.18 -0.18 -0.04 3.23 3.29 1m9sA1 TRP 456 HB3 0.21 -0.10 -0.23 -0.04 3.23 3.07 1m9sA1 TRP 456 HD1 0.05 -0.08 -0.33 -0.04 7.22 6.81 1m9sA1 TRP 456 HE1 0.01 -0.07 0.00 -0.04 10.20 10.11 1m9sA1 TRP 456 HE3 0.01 -0.10 -0.15 -0.04 7.59 7.31 1m9sA1 TRP 456 HZ2 -0.02 -0.13 0.01 -0.04 7.44 7.26 1m9sA1 TRP 456 HZ3 -0.06 -0.14 -0.17 -0.04 7.13 6.72 1m9sA1 TRP 456 HH2 -0.04 0.28 -0.11 -0.04 7.19 7.27 1m9sA1 THR 457 H 0.22 0.32 0.22 -0.55 8.28 8.49 1m9sA1 THR 457 HA 0.45 0.24 0.87 -0.75 4.39 5.19 1m9sA1 THR 457 HB 0.03 0.05 -0.03 -0.04 4.32 4.33 1m9sA1 THR 457 HG23 0.07 -0.02 0.06 -0.04 1.22 1.29 1m9sA1 LYS 458 H -0.14 0.14 0.16 -0.55 8.42 8.02 1m9sA1 LYS 458 HA -0.65 0.27 0.87 -0.75 4.32 4.06 1m9sA1 LYS 458 HB2 -0.31 -0.10 0.10 -0.04 1.87 1.52 1m9sA1 LYS 458 HB3 -0.50 -0.01 0.13 -0.04 1.79 1.37 1m9sA1 LYS 458 HG2 -1.81 0.09 -0.12 -0.04 1.46 -0.42 1m9sA1 LYS 458 HG3 -0.68 -0.01 -0.03 -0.04 1.46 0.70 1m9sA1 LYS 458 HD2 -0.27 -0.02 0.02 -0.04 1.69 1.37 1m9sA1 LYS 458 HD3 -0.42 0.01 -0.01 -0.04 1.68 1.22 1m9sA1 LYS 458 HE2 -0.41 0.02 -0.08 -0.04 2.99 2.47 1m9sA1 LYS 458 HE3 -0.25 0.02 -0.04 -0.04 2.99 2.68 1m9sA1 ALA 459 H -0.19 0.69 0.27 -0.55 8.40 8.61 1m9sA1 ALA 459 HA -0.27 0.04 0.27 -0.75 4.34 3.63 1m9sA1 ALA 459 HB3 0.09 -0.00 -0.02 -0.04 1.41 1.43 1m9sA1 GLU 460 H -0.17 -0.00 -0.17 -0.55 8.60 7.71 1m9sA1 GLU 460 HA -0.10 0.09 0.38 -0.75 4.29 3.90 1m9sA1 GLU 460 HB2 -0.14 -0.11 0.08 -0.04 2.09 1.87 1m9sA1 GLU 460 HB3 -0.09 0.06 -0.07 -0.04 1.99 1.84 1m9sA1 GLU 460 HG2 -0.10 -0.05 0.04 -0.04 2.34 2.19 1m9sA1 GLU 460 HG3 -0.09 0.01 0.02 -0.04 2.34 2.23 1m9sA1 ASN 461 H -0.14 -0.06 -0.22 -0.55 8.53 7.57 1m9sA1 ASN 461 HA -0.07 0.04 0.30 -0.75 4.76 4.27 1m9sA1 ASN 461 HB2 -0.09 0.07 0.08 -0.04 2.88 2.91 1m9sA1 ASN 461 HB3 -0.05 0.04 -0.01 -0.04 2.79 2.73 1m9sA1 ASN 461 HD21 -0.06 -0.02 0.03 -0.04 7.03 6.94 1m9sA1 ASN 461 HD22 -0.05 0.09 0.02 -0.04 7.74 7.76 1m9sA1 LEU 462 H -0.17 0.17 -0.24 -0.55 8.37 7.59 1m9sA1 LEU 462 HA -0.09 -0.07 0.46 -0.75 4.35 3.89 1m9sA1 LEU 462 HB2 -0.18 -0.07 -0.08 -0.04 1.64 1.27 1m9sA1 LEU 462 HB3 -0.36 0.05 -0.07 -0.04 1.64 1.21 1m9sA1 LEU 462 HG -0.20 0.21 -0.24 -0.04 1.64 1.37 1m9sA1 LEU 462 HD13 -0.08 -0.08 -0.34 -0.04 0.93 0.39 1m9sA1 LEU 462 HD23 -0.27 -0.03 -0.20 -0.04 0.89 0.35 1m9sA1 SER 463 H -0.05 0.11 -0.08 -0.55 8.46 7.90 1m9sA1 SER 463 HA -0.08 0.28 0.90 -0.75 4.49 4.84 1m9sA1 SER 463 HB2 -0.04 0.08 -0.01 -0.04 3.95 3.93 1m9sA1 SER 463 HB3 0.00 0.21 0.09 -0.04 3.93 4.19 1m9sA1 LEU 464 H -0.02 0.09 0.17 -0.55 8.37 8.06 1m9sA1 LEU 464 HA 0.02 0.14 0.66 -0.75 4.35 4.42 1m9sA1 LEU 464 HB2 -0.02 0.01 0.12 -0.04 1.64 1.70 1m9sA1 LEU 464 HB3 -0.03 -0.09 0.20 -0.04 1.64 1.68 1m9sA1 LEU 464 HG 0.00 0.03 -0.16 -0.04 1.64 1.46 1m9sA1 LEU 464 HD13 0.01 0.01 0.02 -0.04 0.93 0.92 1m9sA1 LEU 464 HD23 -0.02 -0.01 -0.00 -0.04 0.89 0.82 1m9sA1 ASP 465 H -0.06 0.09 0.15 -0.55 8.40 8.04 1m9sA1 ASP 465 HA -0.53 0.24 0.73 -0.75 4.63 4.32 1m9sA1 ASP 465 HB2 -0.13 0.00 -0.17 -0.04 2.71 2.38 1m9sA1 ASP 465 HB3 -0.20 -0.01 -0.10 -0.04 2.70 2.34 1m9sA1 ARG 466 H -0.76 0.15 0.04 -0.55 8.46 7.33 1m9sA1 ARG 466 HA -0.21 0.09 0.40 -0.75 4.34 3.86 1m9sA1 ARG 466 HB2 -0.32 -0.05 0.14 -0.04 1.90 1.62 1m9sA1 ARG 466 HB3 -0.28 0.07 0.02 -0.04 1.80 1.57 1m9sA1 ARG 466 HG2 -0.24 0.06 -0.06 -0.04 1.67 1.39 1m9sA1 ARG 466 HG3 -0.71 -0.06 0.04 -0.04 1.67 0.90 1m9sA1 ARG 466 HD2 -0.18 -0.05 -0.02 -0.04 3.22 2.93 1m9sA1 ARG 466 HD3 -0.11 0.04 -0.04 -0.04 3.22 3.07 1m9sA1 TYR 467 H -0.01 0.18 0.33 -0.55 8.29 8.23 1m9sA1 TYR 467 HA -0.17 -0.08 0.33 -0.75 4.56 3.89 1m9sA1 TYR 467 HB2 -0.13 -0.04 0.18 -0.04 3.06 3.02 1m9sA1 TYR 467 HB3 -0.11 0.02 0.24 -0.04 2.98 3.09 1m9sA1 TYR 467 HD2 -0.14 -0.17 -0.08 -0.04 7.15 6.72 1m9sA1 TYR 467 HE2 -0.23 0.01 -0.07 -0.04 6.85 6.51 1m9sA1 ASP 468 H 0.05 -0.28 0.29 -0.55 8.40 7.91 1m9sA1 ASP 468 HA -0.43 0.49 0.77 -0.75 4.63 4.71 1m9sA1 ASP 468 HB2 -0.17 -0.06 0.04 -0.04 2.71 2.48 1m9sA1 ASP 468 HB3 -0.26 -0.10 0.19 -0.04 2.70 2.48 1m9sA1 LYS 469 H -0.00 -0.16 0.23 -0.55 8.42 7.93 1m9sA1 LYS 469 HA -0.10 -0.04 0.44 -0.75 4.32 3.86 1m9sA1 LYS 469 HB2 -0.08 0.03 0.20 -0.04 1.87 1.98 1m9sA1 LYS 469 HB3 -0.09 0.02 0.07 -0.04 1.79 1.76 1m9sA1 LYS 469 HG2 -0.07 0.03 0.11 -0.04 1.46 1.49 1m9sA1 LYS 469 HG3 -0.05 -0.10 0.18 -0.04 1.46 1.44 1m9sA1 LYS 469 HD2 -0.07 0.01 0.08 -0.04 1.69 1.67 1m9sA1 LYS 469 HD3 -0.06 0.04 0.05 -0.04 1.68 1.67 1m9sA1 LYS 469 HE2 -0.05 0.02 0.04 -0.04 2.99 2.95 1m9sA1 LYS 469 HE3 -0.05 -0.03 0.05 -0.04 2.99 2.92 1m9sA1 MET 470 H -0.16 0.05 0.27 -0.55 8.47 8.08 1m9sA1 MET 470 HA -0.25 0.16 0.61 -0.75 4.52 4.29 1m9sA1 MET 470 HB2 -0.22 -0.11 -0.03 -0.04 2.15 1.75 1m9sA1 MET 470 HB3 -0.34 -0.09 0.09 -0.04 2.03 1.66 1m9sA1 MET 470 HG2 -0.35 0.27 0.04 -0.04 2.63 2.55 1m9sA1 MET 470 HG3 -0.23 -0.10 0.13 -0.04 2.56 2.32 1m9sA1 MET 470 HE3 -0.16 -0.01 -0.09 -0.04 2.10 1.81 1m9sA1 GLU 471 H -0.12 -0.05 0.01 -0.55 8.60 7.89 1m9sA1 GLU 471 HA -0.05 -0.03 0.29 -0.75 4.29 3.75 1m9sA1 GLU 471 HB2 -0.07 -0.06 0.06 -0.04 2.09 1.98 1m9sA1 GLU 471 HB3 -0.17 0.08 -0.56 -0.04 1.99 1.30 1m9sA1 GLU 471 HG2 -0.53 0.29 0.12 -0.04 2.34 2.18 1m9sA1 GLU 471 HG3 0.03 -0.11 0.09 -0.04 2.34 2.30 1m9sA1 TYR 472 H -0.09 -0.04 -0.48 -0.55 8.29 7.13 1m9sA1 TYR 472 HA -0.00 -0.02 0.25 -0.75 4.56 4.03 1m9sA1 TYR 472 HB2 0.02 -0.06 0.03 -0.04 3.06 3.01 1m9sA1 TYR 472 HB3 0.00 0.40 0.65 -0.04 2.98 3.99 1m9sA1 TYR 472 HD2 0.04 0.06 -0.33 -0.04 7.15 6.88 1m9sA1 TYR 472 HE2 0.06 -0.05 -0.14 -0.04 6.85 6.68 1m9sA1 ASP 473 H 0.18 0.25 0.03 -0.55 8.40 8.31 1m9sA1 ASP 473 HA 0.30 0.33 0.89 -0.75 4.63 5.39 1m9sA1 ASP 473 HB2 0.06 -0.05 -0.04 -0.04 2.71 2.64 1m9sA1 ASP 473 HB3 0.11 0.01 0.18 -0.04 2.70 2.96 1m9sA1 LYS 474 H 0.29 0.11 0.01 -0.55 8.42 8.28 1m9sA1 LYS 474 HA 0.07 0.22 0.75 -0.75 4.32 4.61 1m9sA1 LYS 474 HB2 0.10 -0.26 0.18 -0.04 1.87 1.85 1m9sA1 LYS 474 HB3 0.02 0.10 -0.03 -0.04 1.79 1.84 1m9sA1 LYS 474 HG2 -0.09 0.06 -0.12 -0.04 1.46 1.27 1m9sA1 LYS 474 HG3 -0.05 -0.02 -0.14 -0.04 1.46 1.20 1m9sA1 LYS 474 HD2 -0.12 0.04 -0.05 -0.04 1.69 1.52 1m9sA1 LYS 474 HD3 -0.41 0.05 -0.06 -0.04 1.68 1.21 1m9sA1 LYS 474 HE2 -0.05 -0.00 -0.05 -0.04 2.99 2.85 1m9sA1 LYS 474 HE3 0.02 -0.10 -0.01 -0.04 2.99 2.86 1m9sA1 GLY 475 H 0.11 -0.10 0.16 -0.55 8.43 8.06 1m9sA1 GLY 475 HA2 0.02 -0.13 0.65 -0.51 4.01 4.04 1m9sA1 GLY 475 HA3 0.03 0.30 1.06 -0.51 4.01 4.89 1m9sA1 VAL 476 H 0.01 -0.13 -0.06 -0.55 8.24 7.51 1m9sA1 VAL 476 HA -0.02 0.19 0.49 -0.75 4.13 4.04 1m9sA1 VAL 476 HB -0.07 0.02 0.05 -0.04 2.12 2.08 1m9sA1 VAL 476 HG13 -0.05 -0.03 0.13 -0.04 0.97 0.98 1m9sA1 VAL 476 HG23 0.02 -0.02 -0.00 -0.04 0.95 0.91 1m9sA1 THR 477 H -0.10 0.11 0.11 -0.55 8.28 7.85 1m9sA1 THR 477 HA -0.07 0.34 0.86 -0.75 4.39 4.76 1m9sA1 THR 477 HB -0.04 -0.13 0.11 -0.04 4.32 4.22 1m9sA1 THR 477 HG23 0.13 0.01 -0.14 -0.04 1.22 1.19 1m9sA1 ALA 478 H -0.13 0.47 0.23 -0.55 8.40 8.42 1m9sA1 ALA 478 HA -0.33 0.07 0.41 -0.75 4.34 3.73 1m9sA1 ALA 478 HB3 -0.38 0.04 0.06 -0.04 1.41 1.09 1m9sA1 TYR 479 H -0.14 0.56 0.29 -0.55 8.29 8.45 1m9sA1 TYR 479 HA -0.25 0.21 1.03 -0.75 4.56 4.79 1m9sA1 TYR 479 HB2 -0.04 -0.05 -0.03 -0.04 3.06 2.89 1m9sA1 TYR 479 HB3 -0.45 0.02 -0.08 -0.04 2.98 2.43 1m9sA1 TYR 479 HD2 0.05 -0.03 -0.29 -0.04 7.15 6.84 1m9sA1 TYR 479 HE2 -0.02 0.01 -0.20 -0.04 6.85 6.60 1m9sA1 ALA 480 H -0.35 0.56 0.29 -0.55 8.40 8.36 1m9sA1 ALA 480 HA -0.58 0.23 1.06 -0.75 4.34 4.29 1m9sA1 ALA 480 HB3 -0.19 -0.06 -0.21 -0.04 1.41 0.91 1m9sA1 ARG 481 H -0.01 0.21 0.16 -0.55 8.46 8.27 1m9sA1 ARG 481 HA 0.05 0.22 0.73 -0.75 4.34 4.59 1m9sA1 ARG 481 HB2 0.43 -0.03 -0.16 -0.04 1.90 2.10 1m9sA1 ARG 481 HB3 0.14 0.01 -0.00 -0.04 1.80 1.91 1m9sA1 ARG 481 HG2 0.06 -0.04 -0.04 -0.04 1.67 1.61 1m9sA1 ARG 481 HG3 0.08 0.10 -0.01 -0.04 1.67 1.80 1m9sA1 ARG 481 HD2 0.02 0.14 -0.04 -0.04 3.22 3.30 1m9sA1 ARG 481 HD3 0.17 -0.02 -0.11 -0.04 3.22 3.22 1m9sA1 VAL 482 H -0.02 0.24 0.03 -0.55 8.24 7.93 1m9sA1 VAL 482 HA -0.05 0.04 0.25 -0.75 4.13 3.61 1m9sA1 VAL 482 HB 0.00 -0.13 0.10 -0.04 2.12 2.05 1m9sA1 VAL 482 HG13 -0.00 -0.02 -0.36 -0.04 0.97 0.54 1m9sA1 VAL 482 HG23 -0.03 0.05 -0.23 -0.04 0.95 0.70 1m9sA1 ARG 483 H -0.03 0.49 0.29 -0.55 8.46 8.65 1m9sA1 ARG 483 HA 0.00 0.03 0.77 -0.75 4.34 4.39 1m9sA1 ARG 483 HB2 0.01 -0.07 -0.16 -0.04 1.90 1.64 1m9sA1 ARG 483 HB3 -0.02 0.19 -0.19 -0.04 1.80 1.75 1m9sA1 ARG 483 HG2 -0.00 0.01 -0.07 -0.04 1.67 1.56 1m9sA1 ARG 483 HG3 0.01 -0.08 -0.03 -0.04 1.67 1.52 1m9sA1 ARG 483 HD2 0.00 -0.08 -0.05 -0.04 3.22 3.06 1m9sA1 ARG 483 HD3 -0.01 0.19 -0.06 -0.04 3.22 3.30 1m9sA1 ASN 484 H -0.00 0.13 -0.12 -0.55 8.53 8.00 1m9sA1 ASN 484 HA 0.00 -0.12 0.38 -0.75 4.76 4.27 1m9sA1 ASN 484 HB2 -0.00 -0.03 -0.14 -0.04 2.88 2.67 1m9sA1 ASN 484 HB3 -0.01 0.35 0.38 -0.04 2.79 3.47 1m9sA1 ASN 484 HD21 0.00 0.00 0.00 -0.04 7.03 7.00 1m9sA1 ASN 484 HD22 -0.00 0.10 0.03 -0.04 7.74 7.83 1m9sA1 ALA 485 H 0.00 0.08 0.06 -0.55 8.40 7.99 1m9sA1 ALA 485 HA 0.00 0.23 0.46 -0.75 4.34 4.28 1m9sA1 ALA 485 HB3 0.02 -0.03 -0.09 -0.04 1.41 1.27 1m9sA1 SER 486 H 0.01 0.01 -0.15 -0.55 8.46 7.79 1m9sA1 SER 486 HA 0.01 -0.04 0.35 -0.75 4.49 4.06 1m9sA1 SER 486 HB2 0.01 0.06 0.05 -0.04 3.95 4.03 1m9sA1 SER 486 HB3 0.01 -0.03 0.11 -0.04 3.93 3.97 1m9sA1 GLY 487 H 0.02 0.05 0.30 -0.55 8.43 8.26 1m9sA1 GLY 487 HA2 0.03 -0.04 0.37 -0.51 4.01 3.86 1m9sA1 GLY 487 HA3 0.03 0.23 0.94 -0.51 4.01 4.70 1m9sA1 ASN 488 H 0.03 0.69 0.18 -0.55 8.53 8.89 1m9sA1 ASN 488 HA 0.10 0.23 1.07 -0.75 4.76 5.41 1m9sA1 ASN 488 HB2 0.03 -0.03 0.06 -0.04 2.88 2.90 1m9sA1 ASN 488 HB3 0.08 -0.05 0.17 -0.04 2.79 2.95 1m9sA1 ASN 488 HD21 0.00 0.04 -0.08 -0.04 7.03 6.95 1m9sA1 ASN 488 HD22 0.04 -0.07 0.01 -0.04 7.74 7.68 1m9sA1 SER 489 H 0.20 0.16 0.20 -0.55 8.46 8.47 1m9sA1 SER 489 HA -0.07 -0.03 0.94 -0.75 4.49 4.57 1m9sA1 SER 489 HB2 -0.41 -0.05 0.01 -0.04 3.95 3.46 1m9sA1 SER 489 HB3 -0.75 0.16 0.18 -0.04 3.93 3.48 1m9sA1 VAL 490 H -0.54 0.62 0.21 -0.55 8.24 7.99 1m9sA1 VAL 490 HA 0.13 0.28 0.88 -0.75 4.13 4.67 1m9sA1 VAL 490 HB -0.18 0.04 -0.14 -0.04 2.12 1.81 1m9sA1 VAL 490 HG13 -0.12 0.02 -0.33 -0.04 0.97 0.49 1m9sA1 VAL 490 HG23 -0.05 -0.03 -0.39 -0.04 0.95 0.44 1m9sA1 TRP 491 H 0.58 0.37 0.17 -0.55 7.97 8.54 1m9sA1 TRP 491 HA 0.07 0.22 0.91 -0.75 4.62 5.07 1m9sA1 TRP 491 HB2 0.19 -0.14 -0.32 -0.04 3.23 2.92 1m9sA1 TRP 491 HB3 0.15 0.39 0.04 -0.04 3.23 3.77 1m9sA1 TRP 491 HD1 0.35 0.09 -0.17 -0.04 7.22 7.45 1m9sA1 TRP 491 HE1 0.15 -0.04 -0.16 -0.04 10.20 10.11 1m9sA1 TRP 491 HE3 0.26 0.57 -0.04 -0.04 7.59 8.34 1m9sA1 TRP 491 HZ2 -0.23 -0.01 -0.05 -0.04 7.44 7.11 1m9sA1 TRP 491 HZ3 0.19 0.02 -0.09 -0.04 7.13 7.21 1m9sA1 TRP 491 HH2 -0.06 0.02 -0.05 -0.04 7.19 7.06 1m9sA1 THR 492 H 0.34 0.23 -0.04 -0.55 8.28 8.26 1m9sA1 THR 492 HA 0.21 0.14 0.31 -0.75 4.39 4.30 1m9sA1 THR 492 HB 0.12 -0.03 0.06 -0.04 4.32 4.43 1m9sA1 THR 492 HG23 0.09 0.03 -0.07 -0.04 1.22 1.23 1m9sA1 LYS 493 H 0.13 0.11 -0.38 -0.55 8.42 7.72 1m9sA1 LYS 493 HA -1.06 0.03 0.34 -0.75 4.32 2.87 1m9sA1 LYS 493 HB2 -0.47 -0.02 -0.09 -0.04 1.87 1.26 1m9sA1 LYS 493 HB3 -0.07 0.13 -0.08 -0.04 1.79 1.73 1m9sA1 LYS 493 HG2 -0.07 -0.19 -0.27 -0.04 1.46 0.89 1m9sA1 LYS 493 HG3 -0.26 0.07 0.01 -0.04 1.46 1.24 1m9sA1 LYS 493 HD2 -0.11 0.40 0.03 -0.04 1.69 1.96 1m9sA1 LYS 493 HD3 -0.20 -0.09 -0.09 -0.04 1.68 1.26 1m9sA1 LYS 493 HE2 -0.07 -0.01 -0.09 -0.04 2.99 2.79 1m9sA1 LYS 493 HE3 -0.01 -0.01 -0.17 -0.04 2.99 2.76 1m9sA1 PRO 494 HA -0.78 -0.16 0.19 -0.51 4.44 3.17 1m9sA1 PRO 494 HB2 -1.40 0.20 -0.10 -0.04 2.28 0.93 1m9sA1 PRO 494 HB3 -1.61 -0.11 -0.02 -0.04 2.02 0.24 1m9sA1 PRO 494 HG2 -0.81 0.18 -0.38 -0.04 2.03 0.99 1m9sA1 PRO 494 HG3 -0.95 0.01 -0.11 -0.04 2.03 0.94 1m9sA1 PRO 494 HD2 -1.60 0.15 -0.17 -0.04 3.68 2.03 1m9sA1 PRO 494 HD3 -2.08 0.06 -0.03 -0.04 3.65 1.55 1m9sA1 TYR 495 H -0.24 -0.02 -0.07 -0.55 8.29 7.41 1m9sA1 TYR 495 HA -1.03 0.04 0.30 -0.75 4.56 3.12 1m9sA1 TYR 495 HB2 -0.77 -0.04 0.02 -0.04 3.06 2.23 1m9sA1 TYR 495 HB3 -0.28 -0.03 -0.01 -0.04 2.98 2.62 1m9sA1 TYR 495 HD2 -1.34 -0.00 -0.06 -0.04 7.15 5.70 1m9sA1 TYR 495 HE2 -0.42 0.03 -0.04 -0.04 6.85 6.38 1m9sA1 ASN 496 H -1.21 0.08 0.15 -0.55 8.53 7.00 1m9sA1 ASN 496 HA -0.86 -0.02 0.37 -0.75 4.76 3.50 1m9sA1 ASN 496 HB2 -1.35 -0.13 -0.41 -0.04 2.88 0.95 1m9sA1 ASN 496 HB3 -1.23 0.07 0.30 -0.04 2.79 1.88 1m9sA1 ASN 496 HD21 -0.08 0.03 0.02 -0.04 7.03 6.95 1m9sA1 ASN 496 HD22 -0.68 -0.08 -0.00 -0.04 7.74 6.94 1m9sA1 THR 497 H -0.49 0.16 0.15 -0.55 8.28 7.54 1m9sA1 THR 497 HA -0.43 0.03 0.59 -0.75 4.39 3.83 1m9sA1 THR 497 HB -0.46 0.40 0.01 -0.04 4.32 4.23 1m9sA1 THR 497 HG23 -0.32 -0.03 -0.10 -0.04 1.22 0.74 1m9sA1 ALA 498 H -0.24 0.10 0.12 -0.55 8.40 7.83 1m9sA1 ALA 498 HA -0.16 0.01 0.38 -0.75 4.34 3.81 1m9sA1 ALA 498 HB3 -0.13 0.01 0.08 -0.04 1.41 1.34 1m9sA1 GLY 499 H -0.08 0.11 0.15 -0.55 8.43 8.05 1m9sA1 GLY 499 HA2 -0.03 -0.01 0.35 -0.51 4.01 3.81 1m9sA1 GLY 499 HA3 -0.04 0.06 0.34 -0.51 4.01 3.86 1m9sA1 ALA 500 H -0.13 0.61 -0.77 -0.55 8.40 7.57 1m9sA1 ALA 500 HA 0.02 -0.18 0.35 -0.75 4.34 3.79 1m9sA1 ALA 500 HB3 -0.19 -0.00 0.13 -0.04 1.41 1.30 1m9sA1 LYS 501 H 0.15 0.03 0.29 -0.55 8.42 8.33 1m9sA1 LYS 501 HA 0.21 0.16 0.71 -0.75 4.32 4.65 1m9sA1 LYS 501 HB2 0.13 -0.01 0.18 -0.04 1.87 2.12 1m9sA1 LYS 501 HB3 0.14 -0.15 0.28 -0.04 1.79 2.02 1m9sA1 LYS 501 HG2 0.08 -0.02 -0.00 -0.04 1.46 1.48 1m9sA1 LYS 501 HG3 0.07 0.30 0.12 -0.04 1.46 1.91 1m9sA1 LYS 501 HD2 0.06 0.00 0.07 -0.04 1.69 1.78 1m9sA1 LYS 501 HD3 0.07 -0.03 0.08 -0.04 1.68 1.76 1m9sA1 LYS 501 HE2 0.04 -0.02 0.02 -0.04 2.99 2.99 1m9sA1 LYS 501 HE3 0.03 0.02 0.04 -0.04 2.99 3.04 1m9sA1 HIS 502 H 0.22 0.19 0.21 -0.55 8.41 8.49 1m9sA1 HIS 502 HA 0.07 0.21 1.11 -0.75 4.63 5.26 1m9sA1 HIS 502 HB2 0.15 0.01 -0.12 -0.04 3.26 3.27 1m9sA1 HIS 502 HB3 0.02 -0.03 0.03 -0.04 3.20 3.18 1m9sA1 HIS 502 HD2 -2.08 -0.03 0.02 -0.04 6.97 4.84 1m9sA1 HIS 502 HE1 -0.18 -0.15 -0.22 -0.04 7.75 7.16 1m9sA1 VAL 503 H -1.10 0.53 0.38 -0.55 8.24 7.51 1m9sA1 VAL 503 HA -0.21 0.07 0.76 -0.75 4.13 4.00 1m9sA1 VAL 503 HB -0.25 0.12 -0.10 -0.04 2.12 1.85 1m9sA1 VAL 503 HG13 -0.02 -0.01 -0.04 -0.04 0.97 0.87 1m9sA1 VAL 503 HG23 -0.05 -0.00 -0.31 -0.04 0.95 0.55 1m9sA1 ASN 504 H -0.10 0.09 0.10 -0.55 8.53 8.08 1m9sA1 ASN 504 HA -0.06 -0.01 0.29 -0.75 4.76 4.23 1m9sA1 ASN 504 HB2 0.12 0.08 -0.04 -0.04 2.88 3.01 1m9sA1 ASN 504 HB3 -0.01 -0.09 0.15 -0.04 2.79 2.80 1m9sA1 ASN 504 HD21 -0.03 0.03 0.05 -0.04 7.03 7.04 1m9sA1 ASN 504 HD22 -0.03 -0.03 0.07 -0.04 7.74 7.70 1m9sA1 LYS 505 H 0.01 0.05 0.16 -0.55 8.42 8.08 1m9sA1 LYS 505 HA -0.02 0.15 0.59 -0.75 4.32 4.29 1m9sA1 LYS 505 HB2 0.01 -0.08 0.10 -0.04 1.87 1.86 1m9sA1 LYS 505 HB3 0.02 -0.03 0.16 -0.04 1.79 1.90 1m9sA1 LYS 505 HG2 0.02 0.09 0.05 -0.04 1.46 1.58 1m9sA1 LYS 505 HG3 0.03 -0.01 0.08 -0.04 1.46 1.51 1m9sA1 LYS 505 HD2 0.01 0.05 0.01 -0.04 1.69 1.72 1m9sA1 LYS 505 HD3 0.01 -0.03 0.02 -0.04 1.68 1.64 1m9sA1 LYS 505 HE2 0.01 -0.09 0.03 -0.04 2.99 2.90 1m9sA1 LYS 505 HE3 0.02 0.07 0.01 -0.04 2.99 3.05 1m9sA1 LEU 506 H 0.02 0.72 0.33 -0.55 8.37 8.90 1m9sA1 LEU 506 HA 0.11 0.12 0.16 -0.75 4.35 3.99 1m9sA1 LEU 506 HB2 0.03 0.16 -0.21 -0.04 1.64 1.57 1m9sA1 LEU 506 HB3 0.03 -0.12 -0.01 -0.04 1.64 1.50 1m9sA1 LEU 506 HG -0.00 0.04 -0.14 -0.04 1.64 1.49 1m9sA1 LEU 506 HD13 -0.02 -0.03 -0.23 -0.04 0.93 0.61 1m9sA1 LEU 506 HD23 0.02 0.06 -0.23 -0.04 0.89 0.70 1m9sA1 SER 507 H 0.04 0.12 -0.23 -0.55 8.46 7.84 1m9sA1 SER 507 HA 0.03 0.01 0.32 -0.75 4.49 4.09 1m9sA1 SER 507 HB2 0.00 0.06 0.01 -0.04 3.95 3.98 1m9sA1 SER 507 HB3 0.01 -0.04 0.04 -0.04 3.93 3.89 1m9sA1 VAL 508 H 0.03 0.29 -0.52 -0.55 8.24 7.50 1m9sA1 VAL 508 HA -0.14 0.02 0.31 -0.75 4.13 3.57 1m9sA1 VAL 508 HB -0.12 0.23 -0.08 -0.04 2.12 2.10 1m9sA1 VAL 508 HG13 -0.49 -0.01 0.04 -0.04 0.97 0.48 1m9sA1 VAL 508 HG23 -0.05 -0.06 0.04 -0.04 0.95 0.84 1m9sA1 TYR 509 H 0.12 0.27 -0.86 -0.55 8.29 7.27 1m9sA1 TYR 509 HA 0.01 0.20 0.88 -0.75 4.56 4.90 1m9sA1 TYR 509 HB2 -0.02 0.06 -0.09 -0.04 3.06 2.96 1m9sA1 TYR 509 HB3 -0.00 -0.06 0.01 -0.04 2.98 2.89 1m9sA1 TYR 509 HD2 0.09 0.05 -0.21 -0.04 7.15 7.04 1m9sA1 TYR 509 HE2 0.02 0.01 -0.21 -0.04 6.85 6.63 1m9sA1 GLN 510 H 0.02 0.51 0.07 -0.55 8.47 8.52 1m9sA1 GLN 510 HA 0.03 -0.02 0.43 -0.75 4.36 4.04 1m9sA1 GLN 510 HB2 0.01 -0.07 0.18 -0.04 2.15 2.24 1m9sA1 GLN 510 HB3 0.00 0.05 0.09 -0.04 2.02 2.13 1m9sA1 GLN 510 HG2 0.01 0.03 0.04 -0.04 2.40 2.43 1m9sA1 GLN 510 HG3 0.01 0.04 0.12 -0.04 2.39 2.52 1m9sA1 GLN 510 HE21 0.00 -0.01 0.01 -0.04 6.97 6.93 1m9sA1 GLN 510 HE22 0.00 0.03 0.00 -0.04 7.69 7.68 1m9sA1 GLY 511 H 0.02 0.12 0.15 -0.55 8.43 8.17 1m9sA1 GLY 511 HA2 0.01 -0.01 0.41 -0.51 4.01 3.91 1m9sA1 GLY 511 HA3 0.01 0.09 0.45 -0.51 4.01 4.04 1m9sA1 LYS 512 H 0.03 0.52 -0.53 -0.55 8.42 7.89 1m9sA1 LYS 512 HA 0.04 -0.02 0.42 -0.75 4.32 4.02 1m9sA1 LYS 512 HB2 0.08 0.10 -0.06 -0.04 1.87 1.96 1m9sA1 LYS 512 HB3 0.07 -0.06 0.04 -0.04 1.79 1.80 1m9sA1 LYS 512 HG2 0.03 -0.06 0.02 -0.04 1.46 1.40 1m9sA1 LYS 512 HG3 0.02 0.22 0.01 -0.04 1.46 1.67 1m9sA1 LYS 512 HD2 -0.01 0.01 -0.01 -0.04 1.69 1.64 1m9sA1 LYS 512 HD3 0.05 0.03 -0.01 -0.04 1.68 1.71 1m9sA1 LYS 512 HE2 0.04 0.01 -0.01 -0.04 2.99 2.98 1m9sA1 LYS 512 HE3 0.08 -0.04 -0.01 -0.04 2.99 2.98 1m9sA1 ASN 513 H 0.08 0.06 0.18 -0.55 8.53 8.31 1m9sA1 ASN 513 HA 0.20 0.19 0.69 -0.75 4.76 5.09 1m9sA1 ASN 513 HB2 0.14 -0.08 0.17 -0.04 2.88 3.08 1m9sA1 ASN 513 HB3 0.37 -0.02 -0.08 -0.04 2.79 3.02 1m9sA1 ASN 513 HD21 -0.07 0.02 -0.03 -0.04 7.03 6.91 1m9sA1 ASN 513 HD22 0.01 -0.03 0.01 -0.04 7.74 7.69 1m9sA1 MET 514 H 0.03 0.54 0.28 -0.55 8.47 8.78 1m9sA1 MET 514 HA -0.01 0.25 1.06 -0.75 4.52 5.06 1m9sA1 MET 514 HB2 -0.43 -0.04 -0.16 -0.04 2.15 1.48 1m9sA1 MET 514 HB3 -0.25 0.05 -0.15 -0.04 2.03 1.64 1m9sA1 MET 514 HG2 -0.14 0.29 0.04 -0.04 2.63 2.78 1m9sA1 MET 514 HG3 -0.35 -0.17 -0.17 -0.04 2.56 1.83 1m9sA1 MET 514 HE3 -1.57 -0.00 -0.24 -0.04 2.10 0.24 1m9sA1 ARG 515 H -0.15 0.59 0.29 -0.55 8.46 8.63 1m9sA1 ARG 515 HA -1.41 0.10 0.74 -0.75 4.34 3.01 1m9sA1 ARG 515 HB2 -0.23 -0.05 0.03 -0.04 1.90 1.61 1m9sA1 ARG 515 HB3 -0.17 -0.06 0.12 -0.04 1.80 1.65 1m9sA1 ARG 515 HG2 -0.26 0.14 -0.29 -0.04 1.67 1.22 1m9sA1 ARG 515 HG3 -0.29 -0.03 -0.06 -0.04 1.67 1.25 1m9sA1 ARG 515 HD2 0.07 -0.08 -0.12 -0.04 3.22 3.06 1m9sA1 ARG 515 HD3 -0.04 0.00 -0.13 -0.04 3.22 3.02 1m9sA1 ILE 516 H -0.56 0.54 0.37 -0.55 8.25 8.05 1m9sA1 ILE 516 HA -0.28 0.11 0.52 -0.75 4.18 3.78 1m9sA1 ILE 516 HB -0.41 -0.05 0.13 -0.04 1.89 1.52 1m9sA1 ILE 516 HG12 -0.45 0.03 -0.26 -0.04 1.49 0.77 1m9sA1 ILE 516 HG13 -0.62 -0.06 -0.24 -0.04 1.21 0.25 1m9sA1 ILE 516 HG23 -0.76 -0.01 -0.22 -0.04 0.93 -0.10 1m9sA1 ILE 516 HD13 -0.34 -0.01 -0.19 -0.04 0.88 0.30 1m9sA1 LEU 517 H -0.23 0.45 0.27 -0.55 8.37 8.31 1m9sA1 LEU 517 HA -0.13 0.27 0.83 -0.75 4.35 4.57 1m9sA1 LEU 517 HB2 -0.22 -0.09 -0.13 -0.04 1.64 1.16 1m9sA1 LEU 517 HB3 -0.12 0.02 -0.03 -0.04 1.64 1.47 1m9sA1 LEU 517 HG -0.15 0.11 -0.15 -0.04 1.64 1.41 1m9sA1 LEU 517 HD13 -0.11 -0.01 -0.14 -0.04 0.93 0.62 1m9sA1 LEU 517 HD23 -0.08 0.03 -0.15 -0.04 0.89 0.65 1m9sA1 ARG 518 H -0.26 0.28 0.20 -0.55 8.46 8.13 1m9sA1 ARG 518 HA -0.01 0.03 0.80 -0.75 4.34 4.40 1m9sA1 ARG 518 HB2 -0.60 -0.11 -0.02 -0.04 1.90 1.14 1m9sA1 ARG 518 HB3 0.18 0.04 0.06 -0.04 1.80 2.03 1m9sA1 ARG 518 HG2 0.05 0.13 -0.03 -0.04 1.67 1.79 1m9sA1 ARG 518 HG3 -0.10 0.04 -0.51 -0.04 1.67 1.06 1m9sA1 ARG 518 HD2 -0.00 -0.05 -0.11 -0.04 3.22 3.02 1m9sA1 ARG 518 HD3 0.35 -0.02 -0.10 -0.04 3.22 3.41 1m9sA1 GLU 519 H 0.30 0.14 0.25 -0.55 8.60 8.75 1m9sA1 GLU 519 HA 0.57 0.45 1.07 -0.75 4.29 5.62 1m9sA1 GLU 519 HB2 0.30 -0.03 -0.00 -0.04 2.09 2.31 1m9sA1 GLU 519 HB3 0.28 -0.21 0.14 -0.04 1.99 2.16 1m9sA1 GLU 519 HG2 0.29 -0.00 -0.01 -0.04 2.34 2.57 1m9sA1 GLU 519 HG3 0.53 0.08 0.04 -0.04 2.34 2.95 1m9sA1 ALA 520 H 0.40 0.41 0.41 -0.55 8.40 9.07 1m9sA1 ALA 520 HA 0.10 0.40 0.63 -0.75 4.34 4.71 1m9sA1 ALA 520 HB3 0.07 -0.02 0.02 -0.04 1.41 1.44 1m9sA1 LYS 521 H -0.37 0.36 0.16 -0.55 8.42 8.02 1m9sA1 LYS 521 HA 0.04 0.07 0.82 -0.75 4.32 4.50 1m9sA1 LYS 521 HB2 -0.10 -0.04 -0.10 -0.04 1.87 1.59 1m9sA1 LYS 521 HB3 -0.79 0.05 0.08 -0.04 1.79 1.09 1m9sA1 LYS 521 HG2 -0.11 0.11 -0.21 -0.04 1.46 1.20 1m9sA1 LYS 521 HG3 -0.00 -0.05 -0.14 -0.04 1.46 1.23 1m9sA1 LYS 521 HD2 0.10 -0.06 -0.05 -0.04 1.69 1.65 1m9sA1 LYS 521 HD3 0.02 -0.00 -0.03 -0.04 1.68 1.63 1m9sA1 LYS 521 HE2 -0.03 0.04 -0.11 -0.04 2.99 2.85 1m9sA1 LYS 521 HE3 0.02 -0.01 -0.08 -0.04 2.99 2.87 1m9sA1 THR 522 H -0.08 0.12 0.22 -0.55 8.28 7.99 1m9sA1 THR 522 HA -0.20 0.26 0.72 -0.75 4.39 4.41 1m9sA1 THR 522 HB -0.01 0.09 0.11 -0.04 4.32 4.47 1m9sA1 THR 522 HG23 -0.48 -0.00 -0.03 -0.04 1.22 0.68 1m9sA1 PRO 523 HA -0.17 0.09 0.35 -0.51 4.44 4.20 1m9sA1 PRO 523 HB2 -0.58 -0.06 0.05 -0.04 2.28 1.66 1m9sA1 PRO 523 HB3 -0.33 0.01 0.06 -0.04 2.02 1.71 1m9sA1 PRO 523 HG2 -1.21 -0.03 0.08 -0.04 2.03 0.83 1m9sA1 PRO 523 HG3 -0.42 0.05 0.09 -0.04 2.03 1.71 1m9sA1 PRO 523 HD2 -0.59 0.10 0.16 -0.04 3.68 3.31 1m9sA1 PRO 523 HD3 -0.32 0.36 0.24 -0.04 3.65 3.89 1m9sA1 ILE 524 H 0.01 0.03 -0.31 -0.55 8.25 7.43 1m9sA1 ILE 524 HA 0.08 0.12 0.64 -0.75 4.18 4.27 1m9sA1 ILE 524 HB 0.22 0.00 -0.06 -0.04 1.89 2.01 1m9sA1 ILE 524 HG12 0.13 -0.01 -0.01 -0.04 1.49 1.56 1m9sA1 ILE 524 HG13 0.62 -0.07 -0.02 -0.04 1.21 1.69 1m9sA1 ILE 524 HG23 0.19 -0.01 -0.09 -0.04 0.93 0.98 1m9sA1 ILE 524 HD13 0.19 0.01 -0.09 -0.04 0.88 0.95 1m9sA1 THR 525 H 0.48 0.12 0.00 -0.55 8.28 8.34 1m9sA1 THR 525 HA 0.10 0.21 0.55 -0.75 4.39 4.49 1m9sA1 THR 525 HB -0.25 -0.07 -0.09 -0.04 4.32 3.87 1m9sA1 THR 525 HG23 -0.12 -0.11 0.16 -0.04 1.22 1.10 1m9sA1 THR 526 H -0.02 0.12 0.20 -0.55 8.28 8.04 1m9sA1 THR 526 HA 0.26 0.17 1.04 -0.75 4.39 5.11 1m9sA1 THR 526 HB 0.02 0.09 0.20 -0.04 4.32 4.60 1m9sA1 THR 526 HG23 0.06 0.00 0.05 -0.04 1.22 1.29 1m9sA1 TRP 527 H 0.49 0.28 0.06 -0.55 7.97 8.27 1m9sA1 TRP 527 HA 0.12 0.22 0.94 -0.75 4.62 5.13 1m9sA1 TRP 527 HB2 0.08 -0.00 -0.03 -0.04 3.23 3.23 1m9sA1 TRP 527 HB3 0.79 0.00 -0.17 -0.04 3.23 3.81 1m9sA1 TRP 527 HD1 0.46 -0.04 -0.21 -0.04 7.22 7.39 1m9sA1 TRP 527 HE1 0.14 -0.00 -0.15 -0.04 10.20 10.15 1m9sA1 TRP 527 HE3 -0.04 -0.06 -0.63 -0.04 7.59 6.83 1m9sA1 TRP 527 HZ2 -0.00 0.02 -0.07 -0.04 7.44 7.35 1m9sA1 TRP 527 HZ3 -0.04 -0.12 -0.13 -0.04 7.13 6.80 1m9sA1 TRP 527 HH2 -0.01 0.03 -0.11 -0.04 7.19 7.06 1m9sA1 TYR 528 H 0.38 0.21 0.23 -0.55 8.29 8.55 1m9sA1 TYR 528 HA 0.11 0.40 0.98 -0.75 4.56 5.30 1m9sA1 TYR 528 HB2 -0.00 -0.01 0.12 -0.04 3.06 3.12 1m9sA1 TYR 528 HB3 -0.04 0.06 -0.05 -0.04 2.98 2.91 1m9sA1 TYR 528 HD2 -0.01 0.12 0.17 -0.04 7.15 7.39 1m9sA1 TYR 528 HE2 -0.03 -0.05 -0.03 -0.04 6.85 6.70 1m9sA1 GLN 529 H -0.62 0.10 0.02 -0.55 8.47 7.43 1m9sA1 GLN 529 HA -0.99 0.32 0.58 -0.75 4.36 3.51 1m9sA1 GLN 529 HB2 -2.84 0.00 -0.04 -0.04 2.15 -0.77 1m9sA1 GLN 529 HB3 -0.83 -0.13 0.02 -0.04 2.02 1.05 1m9sA1 GLN 529 HG2 -0.54 0.02 -0.04 -0.04 2.40 1.80 1m9sA1 GLN 529 HG3 -0.90 0.02 -0.07 -0.04 2.39 1.41 1m9sA1 GLN 529 HE21 -0.01 0.02 -0.06 -0.04 6.97 6.88 1m9sA1 GLN 529 HE22 -0.11 0.05 -0.08 -0.04 7.69 7.51 1m9sA1 PHE 530 H -0.59 0.39 0.38 -0.55 8.34 7.97 1m9sA1 PHE 530 HA -0.27 0.19 0.72 -0.75 4.62 4.50 1m9sA1 PHE 530 HB2 -0.23 -0.01 -0.19 -0.04 3.15 2.67 1m9sA1 PHE 530 HB3 -0.22 0.04 -0.50 -0.04 3.06 2.34 1m9sA1 PHE 530 HD2 -0.14 0.11 -0.32 -0.04 7.28 6.89 1m9sA1 PHE 530 HE2 -0.23 0.02 -0.32 -0.04 7.38 6.81 1m9sA1 PHE 530 HZ -0.76 0.03 -0.25 -0.04 7.32 6.30 1m9sA1 SER 531 H 0.06 0.43 0.26 -0.55 8.46 8.67 1m9sA1 SER 531 HA -0.13 0.09 0.88 -0.75 4.49 4.58 1m9sA1 SER 531 HB2 -0.04 0.28 -0.88 -0.04 3.95 3.28 1m9sA1 SER 531 HB3 -0.11 -0.08 -0.33 -0.04 3.93 3.37 1m9sA1 ILE 532 H 0.05 0.78 0.19 -0.55 8.25 8.72 1m9sA1 ILE 532 HA 0.10 0.15 0.89 -0.75 4.18 4.56 1m9sA1 ILE 532 HB 0.17 0.04 0.01 -0.04 1.89 2.07 1m9sA1 ILE 532 HG12 0.16 0.13 -0.08 -0.04 1.49 1.66 1m9sA1 ILE 532 HG13 0.34 -0.11 -0.47 -0.04 1.21 0.94 1m9sA1 ILE 532 HG23 0.11 0.01 -0.06 -0.04 0.93 0.96 1m9sA1 ILE 532 HD13 0.38 0.01 -0.12 -0.04 0.88 1.11 1m9sA1 GLY 533 H 0.08 0.18 0.16 -0.55 8.43 8.32 1m9sA1 GLY 533 HA2 0.06 0.01 0.37 -0.51 4.01 3.94 1m9sA1 GLY 533 HA3 0.05 0.09 0.42 -0.51 4.01 4.06 1m9sA1 GLY 534 H 0.05 0.01 -0.56 -0.55 8.43 7.38 1m9sA1 GLY 534 HA2 0.03 0.00 0.24 -0.51 4.01 3.77 1m9sA1 GLY 534 HA3 0.03 0.16 0.54 -0.51 4.01 4.23 1m9sA1 LYS 535 H 0.02 0.33 -0.51 -0.55 8.42 7.72 1m9sA1 LYS 535 HA -0.01 0.02 0.50 -0.75 4.32 4.08 1m9sA1 LYS 535 HB2 0.02 0.07 0.11 -0.04 1.87 2.03 1m9sA1 LYS 535 HB3 -0.00 0.08 -0.01 -0.04 1.79 1.81 1m9sA1 LYS 535 HG2 0.01 0.03 0.05 -0.04 1.46 1.51 1m9sA1 LYS 535 HG3 0.01 -0.02 0.04 -0.04 1.46 1.45 1m9sA1 LYS 535 HD2 -0.00 0.02 0.05 -0.04 1.69 1.72 1m9sA1 LYS 535 HD3 -0.00 -0.01 0.04 -0.04 1.68 1.67 1m9sA1 LYS 535 HE2 0.00 -0.01 0.02 -0.04 2.99 2.96 1m9sA1 LYS 535 HE3 0.01 0.00 0.01 -0.04 2.99 2.97 1m9sA1 VAL 536 H -0.05 0.11 0.19 -0.55 8.24 7.94 1m9sA1 VAL 536 HA -0.16 0.03 0.56 -0.75 4.13 3.81 1m9sA1 VAL 536 HB -0.09 -0.01 0.05 -0.04 2.12 2.04 1m9sA1 VAL 536 HG13 -0.22 0.00 -0.13 -0.04 0.97 0.58 1m9sA1 VAL 536 HG23 -0.08 0.01 0.01 -0.04 0.95 0.84 1m9sA1 ILE 537 H -0.49 0.72 0.48 -0.55 8.25 8.41 1m9sA1 ILE 537 HA -0.20 0.19 0.94 -0.75 4.18 4.37 1m9sA1 ILE 537 HB -1.28 -0.03 -0.01 -0.04 1.89 0.53 1m9sA1 ILE 537 HG12 0.00 0.04 -0.15 -0.04 1.49 1.34 1m9sA1 ILE 537 HG13 -0.12 0.02 -0.29 -0.04 1.21 0.78 1m9sA1 ILE 537 HG23 -0.49 -0.01 -0.25 -0.04 0.93 0.13 1m9sA1 ILE 537 HD13 0.28 -0.01 -0.17 -0.04 0.88 0.93 1m9sA1 GLY 538 H -0.98 0.23 0.26 -0.55 8.43 7.38 1m9sA1 GLY 538 HA2 -0.15 0.09 0.26 -0.51 4.01 3.71 1m9sA1 GLY 538 HA3 -0.11 0.17 0.46 -0.51 4.01 4.02 1m9sA1 TRP 539 H 0.50 0.66 0.21 -0.55 7.97 8.79 1m9sA1 TRP 539 HA 0.26 0.39 0.85 -0.75 4.62 5.38 1m9sA1 TRP 539 HB2 0.44 -0.07 -0.08 -0.04 3.23 3.48 1m9sA1 TRP 539 HB3 0.79 -0.11 -0.09 -0.04 3.23 3.78 1m9sA1 TRP 539 HD1 0.09 0.16 -0.56 -0.04 7.22 6.87 1m9sA1 TRP 539 HE1 0.02 0.16 -0.01 -0.04 10.20 10.32 1m9sA1 TRP 539 HE3 0.41 -0.15 -0.49 -0.04 7.59 7.32 1m9sA1 TRP 539 HZ2 0.04 0.06 -0.07 -0.04 7.44 7.43 1m9sA1 TRP 539 HZ3 0.22 0.04 -0.76 -0.04 7.13 6.59 1m9sA1 TRP 539 HH2 0.10 0.07 -0.07 -0.04 7.19 7.25 1m9sA1 VAL 540 H 0.41 0.16 0.20 -0.55 8.24 8.47 1m9sA1 VAL 540 HA 0.22 0.14 0.73 -0.75 4.13 4.46 1m9sA1 VAL 540 HB 0.11 0.01 -0.14 -0.04 2.12 2.06 1m9sA1 VAL 540 HG13 -0.06 0.01 -0.27 -0.04 0.97 0.61 1m9sA1 VAL 540 HG23 0.28 0.05 -0.33 -0.04 0.95 0.91 1m9sA1 ASP 541 H -0.27 0.21 0.11 -0.55 8.40 7.90 1m9sA1 ASP 541 HA -1.30 0.11 0.43 -0.75 4.63 3.12 1m9sA1 ASP 541 HB2 -0.43 0.03 0.13 -0.04 2.71 2.40 1m9sA1 ASP 541 HB3 -0.24 0.02 0.19 -0.04 2.70 2.63 1m9sA1 THR 542 H -0.51 0.56 0.45 -0.55 8.28 8.23 1m9sA1 THR 542 HA -0.23 0.01 0.29 -0.75 4.39 3.71 1m9sA1 THR 542 HB -0.49 -0.03 0.06 -0.04 4.32 3.82 1m9sA1 THR 542 HG23 -0.85 0.10 -0.07 -0.04 1.22 0.35 1m9sA1 ARG 543 H -0.23 0.03 -0.42 -0.55 8.46 7.29 1m9sA1 ARG 543 HA -0.09 0.18 0.65 -0.75 4.34 4.33 1m9sA1 ARG 543 HB2 -0.06 0.06 0.12 -0.04 1.90 1.98 1m9sA1 ARG 543 HB3 -0.09 -0.02 0.07 -0.04 1.80 1.72 1m9sA1 ARG 543 HG2 -0.18 -0.16 -0.02 -0.04 1.67 1.28 1m9sA1 ARG 543 HG3 -0.09 0.07 -0.14 -0.04 1.67 1.47 1m9sA1 ARG 543 HD2 -0.04 0.04 -0.00 -0.04 3.22 3.17 1m9sA1 ARG 543 HD3 -0.07 -0.01 0.02 -0.04 3.22 3.12 1m9sA1 ALA 544 H -0.14 0.56 -0.13 -0.55 8.40 8.14 1m9sA1 ALA 544 HA -0.05 0.23 0.62 -0.75 4.34 4.39 1m9sA1 ALA 544 HB3 -0.07 -0.03 0.02 -0.04 1.41 1.29 1m9sA1 LEU 545 H -0.09 0.13 -0.36 -0.55 8.37 7.50 1m9sA1 LEU 545 HA -0.05 -0.04 0.67 -0.75 4.35 4.17 1m9sA1 LEU 545 HB2 -0.04 0.11 -0.07 -0.04 1.64 1.60 1m9sA1 LEU 545 HB3 -0.08 -0.17 -0.11 -0.04 1.64 1.24 1m9sA1 LEU 545 HG -0.10 0.02 -0.30 -0.04 1.64 1.21 1m9sA1 LEU 545 HD13 -0.08 -0.00 -0.22 -0.04 0.93 0.59 1m9sA1 LEU 545 HD23 -0.18 -0.01 -0.34 -0.04 0.89 0.33 1m9sA1 ASN 546 H -0.03 0.08 0.05 -0.55 8.53 8.08 1m9sA1 ASN 546 HA -0.01 0.24 0.79 -0.75 4.76 5.02 1m9sA1 ASN 546 HB2 0.03 0.10 -0.01 -0.04 2.88 2.95 1m9sA1 ASN 546 HB3 0.06 0.10 0.17 -0.04 2.79 3.08 1m9sA1 ASN 546 HD21 0.18 -0.01 -0.02 -0.04 7.03 7.14 1m9sA1 ASN 546 HD22 0.17 0.01 0.03 -0.04 7.74 7.91 1m9sA1 THR 547 H -0.04 0.26 -0.05 -0.55 8.28 7.91 1m9sA1 THR 547 HA -0.34 0.14 0.62 -0.75 4.39 4.06 1m9sA1 THR 547 HB -0.20 0.06 0.01 -0.04 4.32 4.16 1m9sA1 THR 547 HG23 0.08 -0.00 -0.09 -0.04 1.22 1.17 1m9sA1 PHE 548 H -0.60 0.33 0.42 -0.55 8.34 7.94 1m9sA1 PHE 548 HA -0.00 0.06 0.44 -0.75 4.62 4.37 1m9sA1 PHE 548 HB2 -0.00 -0.10 0.14 -0.04 3.15 3.14 1m9sA1 PHE 548 HB3 -0.00 0.03 0.11 -0.04 3.06 3.15 1m9sA1 PHE 548 HD2 -0.01 0.02 -0.17 -0.04 7.28 7.08 1m9sA1 PHE 548 HE2 -0.05 0.01 -0.26 -0.04 7.38 7.03 1m9sA1 PHE 548 HZ 0.10 -0.04 -0.15 -0.04 7.32 7.18 1m9sA1 TYR 549 H -0.36 0.30 -0.26 -0.55 8.29 7.42 1m9sA1 TYR 549 HA -0.08 0.20 0.87 -0.75 4.56 4.79 1m9sA1 TYR 549 HB2 -0.04 0.10 -0.13 -0.04 3.06 2.94 1m9sA1 TYR 549 HB3 -0.19 -0.07 0.02 -0.04 2.98 2.69 1m9sA1 TYR 549 HD2 -0.16 -0.02 -0.18 -0.04 7.15 6.74 1m9sA1 TYR 549 HE2 -0.25 0.04 -0.30 -0.04 6.85 6.30 1m9sA1 LYS 550 H -0.42 0.34 0.14 -0.55 8.42 7.92 1m9sA1 LYS 550 HA -0.72 0.23 0.89 -0.75 4.32 3.96 1m9sA1 LYS 550 HB2 -0.23 0.09 -0.17 -0.04 1.87 1.52 1m9sA1 LYS 550 HB3 -0.20 -0.01 0.00 -0.04 1.79 1.55 1m9sA1 LYS 550 HG2 -0.11 0.05 0.02 -0.04 1.46 1.38 1m9sA1 LYS 550 HG3 -0.17 -0.21 0.04 -0.04 1.46 1.09 1m9sA1 LYS 550 HD2 -0.32 0.18 0.35 -0.04 1.69 1.87 1m9sA1 LYS 550 HD3 -0.21 0.01 0.10 -0.04 1.68 1.54 1m9sA1 LYS 550 HE2 -0.09 -0.05 0.08 -0.04 2.99 2.89 1m9sA1 LYS 550 HE3 -0.11 -0.04 0.01 -0.04 2.99 2.81 1m9sA1 GLN 551 H -0.39 0.36 0.21 -0.55 8.47 8.11 1m9sA1 GLN 551 HA -0.13 0.09 0.39 -0.75 4.36 3.95 1m9sA1 GLN 551 HB2 -0.09 -0.04 0.17 -0.04 2.15 2.14 1m9sA1 GLN 551 HB3 -0.02 0.07 0.03 -0.04 2.02 2.07 1m9sA1 GLN 551 HG2 0.02 0.02 0.05 -0.04 2.40 2.44 1m9sA1 GLN 551 HG3 -0.12 0.10 0.14 -0.04 2.39 2.46 1m9sA1 GLN 551 HE21 0.03 0.03 -0.01 -0.04 6.97 6.99 1m9sA1 GLN 551 HE22 0.07 0.01 0.00 -0.04 7.69 7.74 1m9sA1 SER 552 H -0.12 0.07 -0.19 -0.55 8.46 7.68 1m9sA1 SER 552 HA -0.02 0.10 0.32 -0.75 4.49 4.13 1m9sA1 SER 552 HB2 -0.02 0.05 0.08 -0.04 3.95 4.02 1m9sA1 SER 552 HB3 -0.04 -0.03 0.09 -0.04 3.93 3.90 1m9sA1 MET 553 H -0.10 0.43 -0.85 -0.55 8.47 7.40 1m9sA1 MET 553 HA 0.01 0.10 0.66 -0.75 4.52 4.53 1m9sA1 MET 553 HB2 -0.03 0.09 0.11 -0.04 2.15 2.28 1m9sA1 MET 553 HB3 0.02 -0.05 0.17 -0.04 2.03 2.13 1m9sA1 MET 553 HG2 -0.02 0.02 -0.00 -0.04 2.63 2.59 1m9sA1 MET 553 HG3 -0.09 -0.10 -0.02 -0.04 2.56 2.31 1m9sA1 MET 553 HE3 0.04 0.03 0.15 -0.04 2.10 2.28 1m9sA1 GLU 554 H 0.03 1.03 0.07 -0.55 8.60 9.19 1m9sA1 GLU 554 HA 0.19 0.17 0.77 -0.75 4.29 4.67 1m9sA1 GLU 554 HB2 0.14 0.08 0.27 -0.04 2.09 2.54 1m9sA1 GLU 554 HB3 0.37 -0.07 0.06 -0.04 1.99 2.30 1m9sA1 GLU 554 HG2 -0.22 -0.03 -0.09 -0.04 2.34 1.96 1m9sA1 GLU 554 HG3 0.02 -0.05 0.02 -0.04 2.34 2.29 1m9sA1 LYS 555 H 0.17 0.37 0.32 -0.55 8.42 8.72 1m9sA1 LYS 555 HA 0.09 0.15 0.83 -0.75 4.32 4.63 1m9sA1 LYS 555 HB2 0.08 0.04 0.03 -0.04 1.87 1.98 1m9sA1 LYS 555 HB3 0.07 -0.01 0.02 -0.04 1.79 1.84 1m9sA1 LYS 555 HG2 0.12 0.15 0.18 -0.04 1.46 1.88 1m9sA1 LYS 555 HG3 0.13 -0.05 0.05 -0.04 1.46 1.55 1m9sA1 LYS 555 HD2 0.08 -0.00 0.00 -0.04 1.69 1.73 1m9sA1 LYS 555 HD3 0.07 0.01 0.04 -0.04 1.68 1.75 1m9sA1 LYS 555 HE2 0.10 -0.04 0.08 -0.04 2.99 3.09 1m9sA1 LYS 555 HE3 0.12 -0.04 -0.03 -0.04 2.99 3.00 1m9sA1 PRO 556 HA 0.06 -0.02 0.60 -0.51 4.44 4.57 1m9sA1 PRO 556 HB2 0.02 0.10 0.10 -0.04 2.28 2.45 1m9sA1 PRO 556 HB3 0.04 -0.02 0.11 -0.04 2.02 2.11 1m9sA1 PRO 556 HG2 0.03 0.01 0.04 -0.04 2.03 2.07 1m9sA1 PRO 556 HG3 0.03 0.01 0.08 -0.04 2.03 2.11 1m9sA1 PRO 556 HD2 0.06 0.06 0.26 -0.04 3.68 4.02 1m9sA1 PRO 556 HD3 0.07 0.21 0.25 -0.04 3.65 4.14 1m9sA1 THR 557 H -0.01 0.83 0.43 -0.55 8.28 8.98 1m9sA1 THR 557 HA -0.01 0.03 0.42 -0.75 4.39 4.08 1m9sA1 THR 557 HB -0.07 -0.39 0.16 -0.04 4.32 3.98 1m9sA1 THR 557 HG23 0.01 0.07 0.04 -0.04 1.22 1.30 1m9sA1 ARG 558 H -0.07 0.04 0.04 -0.55 8.46 7.92 1m9sA1 ARG 558 HA -0.08 0.22 0.62 -0.75 4.34 4.34 1m9sA1 ARG 558 HB2 -0.04 0.16 -0.11 -0.04 1.90 1.87 1m9sA1 ARG 558 HB3 -0.04 -0.07 0.05 -0.04 1.80 1.70 1m9sA1 ARG 558 HG2 -0.03 -0.04 0.05 -0.04 1.67 1.60 1m9sA1 ARG 558 HG3 -0.04 -0.05 0.11 -0.04 1.67 1.65 1m9sA1 ARG 558 HD2 -0.06 0.09 0.12 -0.04 3.22 3.34 1m9sA1 ARG 558 HD3 -0.04 -0.06 0.00 -0.04 3.22 3.08 1m9sA1 LEU 559 H -0.16 0.36 0.22 -0.55 8.37 8.24 1m9sA1 LEU 559 HA -0.08 0.15 0.86 -0.75 4.35 4.52 1m9sA1 LEU 559 HB2 -0.13 -0.03 0.05 -0.04 1.64 1.49 1m9sA1 LEU 559 HB3 -0.31 0.01 0.07 -0.04 1.64 1.36 1m9sA1 LEU 559 HG -0.14 0.03 -0.15 -0.04 1.64 1.34 1m9sA1 LEU 559 HD13 -0.03 -0.14 0.16 -0.04 0.93 0.88 1m9sA1 LEU 559 HD23 -0.09 -0.01 -0.04 -0.04 0.89 0.72 1m9sA1 THR 560 H -0.07 0.17 0.23 -0.55 8.28 8.06 1m9sA1 THR 560 HA -0.14 0.17 1.21 -0.75 4.39 4.88 1m9sA1 THR 560 HB -0.05 -0.03 0.15 -0.04 4.32 4.35 1m9sA1 THR 560 HG23 -0.19 0.03 -0.04 -0.04 1.22 0.98 1m9sA1 ARG 561 H -0.22 0.82 0.40 -0.55 8.46 8.92 1m9sA1 ARG 561 HA 0.00 0.26 0.93 -0.75 4.34 4.78 1m9sA1 ARG 561 HB2 -0.05 -0.05 -0.12 -0.04 1.90 1.63 1m9sA1 ARG 561 HB3 0.04 -0.09 0.13 -0.04 1.80 1.84 1m9sA1 ARG 561 HG2 -0.05 -0.09 -0.76 -0.04 1.67 0.72 1m9sA1 ARG 561 HG3 0.14 -0.04 -0.23 -0.04 1.67 1.50 1m9sA1 ARG 561 HD2 0.12 -0.14 -0.32 -0.04 3.22 2.84 1m9sA1 ARG 561 HD3 0.07 0.22 -0.15 -0.04 3.22 3.31 1m9sA1 TYR 562 H 0.15 0.44 0.43 -0.55 8.29 8.76 1m9sA1 TYR 562 HA -0.01 0.21 0.82 -0.75 4.56 4.83 1m9sA1 TYR 562 HB2 -0.00 -0.06 -0.04 -0.04 3.06 2.92 1m9sA1 TYR 562 HB3 0.00 -0.04 0.16 -0.04 2.98 3.05 1m9sA1 TYR 562 HD2 -0.00 0.07 -0.16 -0.04 7.15 7.02 1m9sA1 TYR 562 HE2 -0.01 0.07 -0.12 -0.04 6.85 6.76 1m9sA1 VAL 563 H 0.14 0.12 0.15 -0.55 8.24 8.11 1m9sA1 VAL 563 HA 0.04 0.24 0.80 -0.75 4.13 4.45 1m9sA1 VAL 563 HB 0.07 -0.09 -0.08 -0.04 2.12 1.97 1m9sA1 VAL 563 HG13 0.04 0.05 -0.16 -0.04 0.97 0.86 1m9sA1 VAL 563 HG23 0.05 0.03 -0.16 -0.04 0.95 0.83 1m9sA1 SER 564 H 0.02 0.52 0.19 -0.55 8.46 8.64 1m9sA1 SER 564 HA 0.02 0.10 0.59 -0.75 4.49 4.45 1m9sA1 SER 564 HB2 0.00 0.15 -0.20 -0.04 3.95 3.86 1m9sA1 SER 564 HB3 -0.00 0.13 0.10 -0.04 3.93 4.11 1m9sA1 ALA 565 H 0.01 0.23 0.16 -0.55 8.40 8.25 1m9sA1 ALA 565 HA 0.01 0.11 0.39 -0.75 4.34 4.09 1m9sA1 ALA 565 HB3 -0.00 0.03 0.09 -0.04 1.41 1.49 1m9sA1 ASN 566 H -0.00 0.07 -0.20 -0.55 8.53 7.84 1m9sA1 ASN 566 HA -0.00 0.19 0.66 -0.75 4.76 4.85 1m9sA1 ASN 566 HB2 -0.01 0.00 0.01 -0.04 2.88 2.85 1m9sA1 ASN 566 HB3 -0.01 0.05 0.09 -0.04 2.79 2.88 1m9sA1 ASN 566 HD21 -0.01 0.04 -0.01 -0.04 7.03 7.01 1m9sA1 ASN 566 HD22 -0.01 -0.00 0.01 -0.04 7.74 7.70 1m9sA1 LYS 567 H -0.00 0.17 -0.42 -0.55 8.42 7.61 1m9sA1 LYS 567 HA -0.01 0.19 0.86 -0.75 4.32 4.60 1m9sA1 LYS 567 HB2 -0.01 0.07 0.14 -0.04 1.87 2.03 1m9sA1 LYS 567 HB3 -0.03 -0.02 0.20 -0.04 1.79 1.90 1m9sA1 LYS 567 HG2 -0.02 -0.14 -0.11 -0.04 1.46 1.14 1m9sA1 LYS 567 HG3 -0.04 0.17 0.20 -0.04 1.46 1.75 1m9sA1 LYS 567 HD2 -0.05 -0.06 0.00 -0.04 1.69 1.54 1m9sA1 LYS 567 HD3 -0.03 0.07 -0.06 -0.04 1.68 1.61 1m9sA1 LYS 567 HE2 -0.03 -0.06 -0.03 -0.04 2.99 2.82 1m9sA1 LYS 567 HE3 -0.06 0.31 0.06 -0.04 2.99 3.26 1m9sA1 ALA 568 H 0.01 0.20 -0.30 -0.55 8.40 7.76 1m9sA1 ALA 568 HA 0.03 0.00 0.31 -0.75 4.34 3.92 1m9sA1 ALA 568 HB3 0.02 0.02 0.05 -0.04 1.41 1.45 1m9sA1 GLY 569 H 0.00 0.09 -0.46 -0.55 8.43 7.51 1m9sA1 GLY 569 HA2 0.01 0.06 0.45 -0.51 4.01 4.02 1m9sA1 GLY 569 HA3 0.00 0.01 0.22 -0.51 4.01 3.73 1m9sA1 GLU 570 H 0.00 0.24 -0.26 -0.55 8.60 8.04 1m9sA1 GLU 570 HA 0.01 -0.01 0.46 -0.75 4.29 4.00 1m9sA1 GLU 570 HB2 -0.01 0.27 0.19 -0.04 2.09 2.50 1m9sA1 GLU 570 HB3 -0.01 0.01 0.08 -0.04 1.99 2.03 1m9sA1 GLU 570 HG2 -0.02 -0.05 0.07 -0.04 2.34 2.31 1m9sA1 GLU 570 HG3 -0.04 -0.02 0.07 -0.04 2.34 2.30 1m9sA1 SER 571 H 0.03 0.06 0.20 -0.55 8.46 8.20 1m9sA1 SER 571 HA -0.04 0.04 1.04 -0.75 4.49 4.77 1m9sA1 SER 571 HB2 -0.41 0.23 0.33 -0.04 3.95 4.06 1m9sA1 SER 571 HB3 -0.14 0.00 0.11 -0.04 3.93 3.86 1m9sA1 TYR 572 H -0.54 0.44 0.20 -0.55 8.29 7.84 1m9sA1 TYR 572 HA 0.12 0.20 0.95 -0.75 4.56 5.07 1m9sA1 TYR 572 HB2 0.02 0.07 -0.25 -0.04 3.06 2.86 1m9sA1 TYR 572 HB3 -0.04 -0.06 -0.30 -0.04 2.98 2.53 1m9sA1 TYR 572 HD2 -0.06 -0.01 -0.46 -0.04 7.15 6.57 1m9sA1 TYR 572 HE2 0.01 0.13 -0.32 -0.04 6.85 6.63 1m9sA1 TYR 573 H 0.60 0.84 0.33 -0.55 8.29 9.51 1m9sA1 TYR 573 HA 0.10 0.19 1.18 -0.75 4.56 5.28 1m9sA1 TYR 573 HB2 0.12 0.07 0.02 -0.04 3.06 3.23 1m9sA1 TYR 573 HB3 0.03 -0.01 0.14 -0.04 2.98 3.10 1m9sA1 TYR 573 HD2 0.23 0.05 -0.27 -0.04 7.15 7.12 1m9sA1 TYR 573 HE2 0.09 0.01 -0.26 -0.04 6.85 6.65 1m9sA1 LYS 574 H 0.25 0.57 0.34 -0.55 8.42 9.03 1m9sA1 LYS 574 HA 0.38 0.09 0.56 -0.75 4.32 4.60 1m9sA1 LYS 574 HB2 0.20 0.07 0.12 -0.04 1.87 2.22 1m9sA1 LYS 574 HB3 0.16 -0.03 0.15 -0.04 1.79 2.03 1m9sA1 LYS 574 HG2 0.19 -0.04 -0.13 -0.04 1.46 1.44 1m9sA1 LYS 574 HG3 0.25 0.00 0.08 -0.04 1.46 1.75 1m9sA1 LYS 574 HD2 0.14 0.03 0.01 -0.04 1.69 1.83 1m9sA1 LYS 574 HD3 0.12 0.00 -0.00 -0.04 1.68 1.77 1m9sA1 LYS 574 HE2 0.11 -0.03 -0.04 -0.04 2.99 2.99 1m9sA1 LYS 574 HE3 0.11 -0.01 -0.01 -0.04 2.99 3.05 1m9sA1 VAL 575 H 0.07 0.19 -0.03 -0.55 8.24 7.92 1m9sA1 VAL 575 HA -0.53 0.23 0.63 -0.75 4.13 3.70 1m9sA1 VAL 575 HB -0.77 0.00 -0.15 -0.04 2.12 1.17 1m9sA1 VAL 575 HG13 0.05 0.01 -0.27 -0.04 0.97 0.71 1m9sA1 VAL 575 HG23 -0.25 -0.03 -0.09 -0.04 0.95 0.54 1m9sA1 PRO 576 HA -1.28 0.05 0.17 -0.51 4.44 2.88 1m9sA1 PRO 576 HB2 -1.40 0.02 0.04 -0.04 2.28 0.90 1m9sA1 PRO 576 HB3 -0.80 0.01 -0.09 -0.04 2.02 1.10 1m9sA1 PRO 576 HG2 -1.38 0.01 -0.15 -0.04 2.03 0.47 1m9sA1 PRO 576 HG3 -1.35 0.08 -0.13 -0.04 2.03 0.59 1m9sA1 PRO 576 HD2 -1.34 0.10 0.02 -0.04 3.68 2.42 1m9sA1 PRO 576 HD3 -3.19 0.16 -0.04 -0.04 3.65 0.54 1m9sA1 VAL 577 H -0.89 1.16 0.17 -0.55 8.24 8.13 1m9sA1 VAL 577 HA -0.79 0.11 0.62 -0.75 4.13 3.31 1m9sA1 VAL 577 HB -1.01 -0.01 -0.09 -0.04 2.12 0.97 1m9sA1 VAL 577 HG13 -0.69 -0.01 -0.24 -0.04 0.97 -0.02 1m9sA1 VAL 577 HG23 -0.79 -0.01 -0.46 -0.04 0.95 -0.35 1m9sA1 ALA 578 H -0.27 0.17 -0.04 -0.55 8.40 7.72 1m9sA1 ALA 578 HA -1.70 0.17 0.52 -0.75 4.34 2.57 1m9sA1 ALA 578 HB3 -0.02 0.01 0.08 -0.04 1.41 1.43 1m9sA1 ASP 579 H -0.48 0.54 0.05 -0.55 8.40 7.96 1m9sA1 ASP 579 HA -0.04 0.16 0.82 -0.75 4.63 4.82 1m9sA1 ASP 579 HB2 -0.18 0.00 -0.18 -0.04 2.71 2.31 1m9sA1 ASP 579 HB3 -0.07 -0.01 -0.05 -0.04 2.70 2.53 1m9sA1 ASN 580 H 0.08 0.16 0.12 -0.55 8.53 8.34 1m9sA1 ASN 580 HA 0.19 0.07 0.36 -0.75 4.76 4.63 1m9sA1 ASN 580 HB2 0.08 0.01 0.14 -0.04 2.88 3.07 1m9sA1 ASN 580 HB3 0.07 0.01 0.14 -0.04 2.79 2.97 1m9sA1 ASN 580 HD21 0.02 0.03 0.00 -0.04 7.03 7.05 1m9sA1 ASN 580 HD22 0.05 -0.02 0.03 -0.04 7.74 7.76 1m9sA1 PRO 581 HA 0.07 0.12 0.35 -0.51 4.44 4.47 1m9sA1 PRO 581 HB2 0.13 0.02 -0.09 -0.04 2.28 2.31 1m9sA1 PRO 581 HB3 0.08 0.08 0.03 -0.04 2.02 2.16 1m9sA1 PRO 581 HG2 0.09 -0.14 -0.01 -0.04 2.03 1.94 1m9sA1 PRO 581 HG3 0.07 0.12 -0.11 -0.04 2.03 2.07 1m9sA1 PRO 581 HD2 0.11 0.04 -0.12 -0.04 3.68 3.67 1m9sA1 PRO 581 HD3 0.08 0.06 0.13 -0.04 3.65 3.89 1m9sA1 VAL 582 H 0.16 0.34 -0.65 -0.55 8.24 7.53 1m9sA1 VAL 582 HA 0.12 0.27 0.98 -0.75 4.13 4.75 1m9sA1 VAL 582 HB 0.15 -0.31 0.27 -0.04 2.12 2.19 1m9sA1 VAL 582 HG13 0.15 -0.00 -0.12 -0.04 0.97 0.96 1m9sA1 VAL 582 HG23 0.01 0.00 0.03 -0.04 0.95 0.95 1m9sA1 LYS 583 H 0.14 0.79 0.14 -0.55 8.42 8.93 1m9sA1 LYS 583 HA -0.46 0.06 0.62 -0.75 4.32 3.79 1m9sA1 LYS 583 HB2 0.08 -0.08 0.19 -0.04 1.87 2.01 1m9sA1 LYS 583 HB3 -0.04 0.06 0.22 -0.04 1.79 1.98 1m9sA1 LYS 583 HG2 -0.27 -0.07 -0.05 -0.04 1.46 1.03 1m9sA1 LYS 583 HG3 -0.57 0.03 0.10 -0.04 1.46 0.98 1m9sA1 LYS 583 HD2 -0.01 -0.05 -0.00 -0.04 1.69 1.58 1m9sA1 LYS 583 HD3 -0.05 0.00 0.01 -0.04 1.68 1.60 1m9sA1 LYS 583 HE2 -0.16 0.00 0.01 -0.04 2.99 2.81 1m9sA1 LYS 583 HE3 -0.05 -0.02 -0.01 -0.04 2.99 2.87 1m9sA1 ARG 584 H -0.47 0.58 0.45 -0.55 8.46 8.47 1m9sA1 ARG 584 HA -0.10 0.22 0.97 -0.75 4.34 4.67 1m9sA1 ARG 584 HB2 0.05 -0.00 -0.07 -0.04 1.90 1.83 1m9sA1 ARG 584 HB3 0.13 0.01 0.12 -0.04 1.80 2.02 1m9sA1 ARG 584 HG2 0.08 0.06 -0.33 -0.04 1.67 1.44 1m9sA1 ARG 584 HG3 0.18 -0.02 -0.09 -0.04 1.67 1.70 1m9sA1 ARG 584 HD2 0.10 -0.02 0.03 -0.04 3.22 3.28 1m9sA1 ARG 584 HD3 0.04 0.11 -0.03 -0.04 3.22 3.30 1m9sA1 GLY 585 H -0.66 0.18 0.16 -0.55 8.43 7.56 1m9sA1 GLY 585 HA2 -0.23 0.04 0.26 -0.51 4.01 3.57 1m9sA1 GLY 585 HA3 -0.38 0.20 0.70 -0.51 4.01 4.02 1m9sA1 THR 586 H 0.05 0.24 0.16 -0.55 8.28 8.18 1m9sA1 THR 586 HA -0.03 0.18 0.98 -0.75 4.39 4.77 1m9sA1 THR 586 HB 0.02 -0.03 0.07 -0.04 4.32 4.34 1m9sA1 THR 586 HG23 0.03 -0.05 -0.05 -0.04 1.22 1.11 1m9sA1 LEU 587 H 0.14 0.55 0.20 -0.55 8.37 8.70 1m9sA1 LEU 587 HA 0.24 0.03 0.31 -0.75 4.35 4.17 1m9sA1 LEU 587 HB2 0.07 0.21 0.10 -0.04 1.64 1.99 1m9sA1 LEU 587 HB3 0.07 -0.10 -0.06 -0.04 1.64 1.51 1m9sA1 LEU 587 HG 0.14 0.04 -0.16 -0.04 1.64 1.61 1m9sA1 LEU 587 HD13 0.02 0.04 -0.12 -0.04 0.93 0.82 1m9sA1 LEU 587 HD23 -0.02 -0.03 -0.19 -0.04 0.89 0.61 1m9sA1 ALA 588 H 0.08 0.37 -0.16 -0.55 8.40 8.15 1m9sA1 ALA 588 HA 0.05 -0.03 0.34 -0.75 4.34 3.95 1m9sA1 ALA 588 HB3 0.02 0.04 0.03 -0.04 1.41 1.46 1m9sA1 LYS 589 H 0.13 0.38 -0.76 -0.55 8.42 7.62 1m9sA1 LYS 589 HA -0.10 0.09 0.54 -0.75 4.32 4.10 1m9sA1 LYS 589 HB2 -0.18 0.04 0.02 -0.04 1.87 1.71 1m9sA1 LYS 589 HB3 -0.32 -0.02 0.06 -0.04 1.79 1.47 1m9sA1 LYS 589 HG2 -0.03 -0.02 0.01 -0.04 1.46 1.38 1m9sA1 LYS 589 HG3 0.06 0.02 0.03 -0.04 1.46 1.53 1m9sA1 LYS 589 HD2 0.27 0.04 0.08 -0.04 1.69 2.03 1m9sA1 LYS 589 HD3 0.04 0.02 0.03 -0.04 1.68 1.73 1m9sA1 LYS 589 HE2 0.01 0.03 0.03 -0.04 2.99 3.02 1m9sA1 LYS 589 HE3 0.03 -0.12 0.10 -0.04 2.99 2.96 1m9sA1 TYR 590 H 0.19 0.77 0.00 -0.55 8.29 8.70 1m9sA1 TYR 590 HA -0.02 0.21 0.72 -0.75 4.56 4.73 1m9sA1 TYR 590 HB2 -0.04 0.04 0.00 -0.04 3.06 3.02 1m9sA1 TYR 590 HB3 -0.05 -0.08 0.03 -0.04 2.98 2.84 1m9sA1 TYR 590 HD2 -0.05 0.03 -0.04 -0.04 7.15 7.05 1m9sA1 TYR 590 HE2 -0.05 -0.00 -0.10 -0.04 6.85 6.66 1m9sA1 LYS 591 H 0.04 0.19 -0.45 -0.55 8.42 7.65 1m9sA1 LYS 591 HA 0.06 -0.12 0.27 -0.75 4.32 3.78 1m9sA1 LYS 591 HB2 0.03 -0.06 0.08 -0.04 1.87 1.88 1m9sA1 LYS 591 HB3 0.01 0.16 0.07 -0.04 1.79 1.99 1m9sA1 LYS 591 HG2 0.02 -0.02 -0.21 -0.04 1.46 1.21 1m9sA1 LYS 591 HG3 0.01 -0.03 -0.02 -0.04 1.46 1.38 1m9sA1 LYS 591 HD2 -0.00 0.03 0.01 -0.04 1.69 1.69 1m9sA1 LYS 591 HD3 0.01 0.04 0.03 -0.04 1.68 1.71 1m9sA1 LYS 591 HE2 -0.00 0.00 -0.02 -0.04 2.99 2.93 1m9sA1 LYS 591 HE3 0.00 -0.02 -0.07 -0.04 2.99 2.86 1m9sA1 ASN 592 H 0.08 -0.04 0.25 -0.55 8.53 8.28 1m9sA1 ASN 592 HA 0.09 -0.06 0.38 -0.75 4.76 4.42 1m9sA1 ASN 592 HB2 0.03 0.48 0.39 -0.04 2.88 3.73 1m9sA1 ASN 592 HB3 0.03 -0.05 0.29 -0.04 2.79 3.02 1m9sA1 ASN 592 HD21 -0.01 -0.04 -0.02 -0.04 7.03 6.93 1m9sA1 ASN 592 HD22 0.01 0.02 0.04 -0.04 7.74 7.76 1m9sA1 GLN 593 H 0.11 0.18 0.23 -0.55 8.47 8.44 1m9sA1 GLN 593 HA 0.07 0.16 0.88 -0.75 4.36 4.72 1m9sA1 GLN 593 HB2 0.13 -0.00 0.03 -0.04 2.15 2.27 1m9sA1 GLN 593 HB3 0.07 -0.08 0.11 -0.04 2.02 2.08 1m9sA1 GLN 593 HG2 0.03 0.01 -0.10 -0.04 2.40 2.30 1m9sA1 GLN 593 HG3 0.04 0.12 -0.43 -0.04 2.39 2.09 1m9sA1 GLN 593 HE21 0.03 -0.02 -0.01 -0.04 6.97 6.94 1m9sA1 GLN 593 HE22 0.08 -0.05 0.03 -0.04 7.69 7.70 1m9sA1 LYS 594 H 0.01 0.11 0.18 -0.55 8.42 8.16 1m9sA1 LYS 594 HA -0.33 0.16 0.77 -0.75 4.32 4.17 1m9sA1 LYS 594 HB2 -0.01 0.01 0.10 -0.04 1.87 1.94 1m9sA1 LYS 594 HB3 -0.06 -0.09 0.16 -0.04 1.79 1.76 1m9sA1 LYS 594 HG2 -0.20 0.03 -0.16 -0.04 1.46 1.09 1m9sA1 LYS 594 HG3 -0.29 0.04 0.04 -0.04 1.46 1.21 1m9sA1 LYS 594 HD2 -0.00 0.00 -0.00 -0.04 1.69 1.65 1m9sA1 LYS 594 HD3 -0.05 -0.05 -0.01 -0.04 1.68 1.53 1m9sA1 LYS 594 HE2 -0.09 0.01 -0.06 -0.04 2.99 2.81 1m9sA1 LYS 594 HE3 -0.05 0.03 -0.02 -0.04 2.99 2.90 1m9sA1 LEU 595 H -0.44 0.59 0.39 -0.55 8.37 8.35 1m9sA1 LEU 595 HA -0.17 0.16 0.98 -0.75 4.35 4.57 1m9sA1 LEU 595 HB2 -0.20 0.21 -0.13 -0.04 1.64 1.48 1m9sA1 LEU 595 HB3 -0.18 -0.08 -0.19 -0.04 1.64 1.16 1m9sA1 LEU 595 HG -0.11 0.05 -0.32 -0.04 1.64 1.21 1m9sA1 LEU 595 HD13 -0.11 -0.03 -0.31 -0.04 0.93 0.44 1m9sA1 LEU 595 HD23 -0.25 0.02 -0.22 -0.04 0.89 0.40 1m9sA1 ILE 596 H -0.15 0.66 0.29 -0.55 8.25 8.51 1m9sA1 ILE 596 HA -0.14 0.14 0.88 -0.75 4.18 4.31 1m9sA1 ILE 596 HB -0.10 0.11 0.12 -0.04 1.89 1.99 1m9sA1 ILE 596 HG12 -0.09 0.03 -0.10 -0.04 1.49 1.29 1m9sA1 ILE 596 HG13 -0.10 -0.08 -0.16 -0.04 1.21 0.83 1m9sA1 ILE 596 HG23 -0.08 -0.00 -0.23 -0.04 0.93 0.57 1m9sA1 ILE 596 HD13 -0.05 0.00 -0.11 -0.04 0.88 0.67 1m9sA1 VAL 597 H -0.17 0.70 0.29 -0.55 8.24 8.51 1m9sA1 VAL 597 HA -0.19 0.16 0.71 -0.75 4.13 4.05 1m9sA1 VAL 597 HB -0.34 -0.06 0.07 -0.04 2.12 1.75 1m9sA1 VAL 597 HG13 -0.57 -0.02 -0.16 -0.04 0.97 0.18 1m9sA1 VAL 597 HG23 -0.20 -0.02 -0.26 -0.04 0.95 0.43 1m9sA1 ASP 598 H -0.16 0.38 0.22 -0.55 8.40 8.29 1m9sA1 ASP 598 HA -0.09 0.18 0.69 -0.75 4.63 4.66 1m9sA1 ASP 598 HB2 -0.06 -0.00 0.02 -0.04 2.71 2.63 1m9sA1 ASP 598 HB3 -0.07 0.00 0.01 -0.04 2.70 2.60 1m9sA1 CYS 599 H -0.18 0.15 0.19 -0.55 8.50 8.11 1m9sA1 CYS 599 HA 0.02 0.16 0.87 -0.75 4.58 4.88 1m9sA1 CYS 599 HB2 -0.02 -0.00 -0.03 -0.04 2.97 2.88 1m9sA1 CYS 599 HB3 -0.25 -0.05 -0.01 -0.04 2.97 2.61 1m9sA1 GLN 600 H 0.31 0.42 0.08 -0.55 8.47 8.74 1m9sA1 GLN 600 HA 0.56 0.01 0.51 -0.75 4.36 4.69 1m9sA1 GLN 600 HB2 0.45 -0.01 0.19 -0.04 2.15 2.73 1m9sA1 GLN 600 HB3 0.18 0.03 -0.15 -0.04 2.02 2.05 1m9sA1 GLN 600 HG2 0.13 0.15 -0.15 -0.04 2.40 2.49 1m9sA1 GLN 600 HG3 0.22 -0.02 -0.18 -0.04 2.39 2.36 1m9sA1 GLN 600 HE21 0.20 -0.05 -0.07 -0.04 6.97 7.01 1m9sA1 GLN 600 HE22 0.30 -0.01 -0.06 -0.04 7.69 7.87 1m9sA1 ALA 601 H 0.51 0.49 0.32 -0.55 8.40 9.16 1m9sA1 ALA 601 HA 0.19 0.18 0.66 -0.75 4.34 4.62 1m9sA1 ALA 601 HB3 -0.01 0.00 -0.12 -0.04 1.41 1.25 1m9sA1 THR 602 H 0.11 0.28 0.21 -0.55 8.28 8.34 1m9sA1 THR 602 HA 0.18 0.28 1.06 -0.75 4.39 5.16 1m9sA1 THR 602 HB 0.09 0.00 0.19 -0.04 4.32 4.56 1m9sA1 THR 602 HG23 0.08 -0.03 -0.26 -0.04 1.22 0.98 1m9sA1 ILE 603 H 0.19 0.54 0.25 -0.55 8.25 8.68 1m9sA1 ILE 603 HA 0.05 0.24 1.05 -0.75 4.18 4.78 1m9sA1 ILE 603 HB -0.11 -0.03 0.05 -0.04 1.89 1.76 1m9sA1 ILE 603 HG12 -0.22 -0.05 -0.25 -0.04 1.49 0.93 1m9sA1 ILE 603 HG13 -0.61 0.18 -0.05 -0.04 1.21 0.69 1m9sA1 ILE 603 HG23 0.01 0.06 -0.06 -0.04 0.93 0.90 1m9sA1 ILE 603 HD13 0.03 0.05 -0.19 -0.04 0.88 0.73 1m9sA1 GLU 604 H 0.06 0.29 0.20 -0.55 8.60 8.60 1m9sA1 GLU 604 HA 0.02 0.06 0.36 -0.75 4.29 3.97 1m9sA1 GLU 604 HB2 -0.04 0.07 -0.12 -0.04 2.09 1.96 1m9sA1 GLU 604 HB3 -0.07 0.02 0.22 -0.04 1.99 2.11 1m9sA1 GLU 604 HG2 -0.14 -0.02 -0.06 -0.04 2.34 2.08 1m9sA1 GLU 604 HG3 -0.39 0.00 -0.03 -0.04 2.34 1.88 1m9sA1 GLY 605 H 0.05 0.05 -0.65 -0.55 8.43 7.34 1m9sA1 GLY 605 HA2 0.04 -0.02 0.23 -0.51 4.01 3.76 1m9sA1 GLY 605 HA3 0.03 0.14 0.62 -0.51 4.01 4.28 1m9sA1 GLN 606 H 0.10 0.76 -0.13 -0.55 8.47 8.65 1m9sA1 GLN 606 HA 0.03 0.15 0.92 -0.75 4.36 4.71 1m9sA1 GLN 606 HB2 0.18 0.11 0.07 -0.04 2.15 2.47 1m9sA1 GLN 606 HB3 0.01 -0.06 -0.02 -0.04 2.02 1.91 1m9sA1 GLN 606 HG2 -0.03 -0.02 0.04 -0.04 2.40 2.35 1m9sA1 GLN 606 HG3 0.02 0.06 -0.10 -0.04 2.39 2.32 1m9sA1 GLN 606 HE21 -0.09 -0.01 0.00 -0.04 6.97 6.83 1m9sA1 GLN 606 HE22 -0.10 -0.02 0.03 -0.04 7.69 7.56 1m9sA1 LEU 607 H -0.03 0.12 0.19 -0.55 8.37 8.11 1m9sA1 LEU 607 HA 0.17 0.24 0.94 -0.75 4.35 4.94 1m9sA1 LEU 607 HB2 0.01 0.06 0.05 -0.04 1.64 1.72 1m9sA1 LEU 607 HB3 -0.12 -0.09 0.18 -0.04 1.64 1.58 1m9sA1 LEU 607 HG -0.39 -0.08 -0.26 -0.04 1.64 0.87 1m9sA1 LEU 607 HD13 0.22 0.03 -0.02 -0.04 0.93 1.12 1m9sA1 LEU 607 HD23 -0.01 0.00 -0.05 -0.04 0.89 0.80 1m9sA1 TRP 608 H 0.43 0.72 0.44 -0.55 7.97 9.02 1m9sA1 TRP 608 HA 0.04 -0.00 1.08 -0.75 4.62 4.98 1m9sA1 TRP 608 HB2 0.19 0.11 0.09 -0.04 3.23 3.58 1m9sA1 TRP 608 HB3 0.46 0.01 -0.11 -0.04 3.23 3.56 1m9sA1 TRP 608 HD1 -0.01 0.08 -0.29 -0.04 7.22 6.96 1m9sA1 TRP 608 HE1 -0.08 0.02 -0.14 -0.04 10.20 9.96 1m9sA1 TRP 608 HE3 0.30 0.03 -0.47 -0.04 7.59 7.40 1m9sA1 TRP 608 HZ2 -0.16 -0.02 -0.15 -0.04 7.44 7.07 1m9sA1 TRP 608 HZ3 0.26 0.14 -0.32 -0.04 7.13 7.17 1m9sA1 TRP 608 HH2 -0.28 -0.00 -0.27 -0.04 7.19 6.60 1m9sA1 TYR 609 H 0.36 0.78 0.34 -0.55 8.29 9.22 1m9sA1 TYR 609 HA 0.13 0.24 0.97 -0.75 4.56 5.16 1m9sA1 TYR 609 HB2 0.01 -0.02 -0.05 -0.04 3.06 2.96 1m9sA1 TYR 609 HB3 -0.06 0.03 -0.13 -0.04 2.98 2.78 1m9sA1 TYR 609 HD2 0.06 0.11 -0.07 -0.04 7.15 7.20 1m9sA1 TYR 609 HE2 0.04 0.01 -0.10 -0.04 6.85 6.76 1m9sA1 ARG 610 H -0.33 0.53 0.01 -0.55 8.46 8.11 1m9sA1 ARG 610 HA -0.81 0.30 0.96 -0.75 4.34 4.04 1m9sA1 ARG 610 HB2 -2.68 -0.03 -0.14 -0.04 1.90 -0.99 1m9sA1 ARG 610 HB3 -0.66 -0.22 0.16 -0.04 1.80 1.04 1m9sA1 ARG 610 HG2 -0.24 0.03 -0.17 -0.04 1.67 1.26 1m9sA1 ARG 610 HG3 -1.13 0.05 -0.22 -0.04 1.67 0.33 1m9sA1 ARG 610 HD2 0.03 0.05 -0.09 -0.04 3.22 3.16 1m9sA1 ARG 610 HD3 -0.21 -0.01 -0.10 -0.04 3.22 2.86 1m9sA1 ILE 611 H -0.28 0.36 0.16 -0.55 8.25 7.94 1m9sA1 ILE 611 HA -0.21 0.33 0.84 -0.75 4.18 4.39 1m9sA1 ILE 611 HB -0.26 -0.03 -0.10 -0.04 1.89 1.46 1m9sA1 ILE 611 HG12 -0.26 0.08 -0.08 -0.04 1.49 1.20 1m9sA1 ILE 611 HG13 -0.47 -0.11 -0.20 -0.04 1.21 0.39 1m9sA1 ILE 611 HG23 -0.10 -0.00 -0.31 -0.04 0.93 0.48 1m9sA1 ILE 611 HD13 -0.32 -0.00 -0.23 -0.04 0.88 0.28 1m9sA1 ARG 612 H -0.19 0.38 0.29 -0.55 8.46 8.39 1m9sA1 ARG 612 HA -0.26 -0.04 0.74 -0.75 4.34 4.03 1m9sA1 ARG 612 HB2 0.02 0.07 -0.02 -0.04 1.90 1.94 1m9sA1 ARG 612 HB3 0.04 0.00 -0.20 -0.04 1.80 1.60 1m9sA1 ARG 612 HG2 -0.08 0.13 0.06 -0.04 1.67 1.74 1m9sA1 ARG 612 HG3 -0.05 0.07 -0.40 -0.04 1.67 1.25 1m9sA1 ARG 612 HD2 -0.00 -0.04 -0.09 -0.04 3.22 3.04 1m9sA1 ARG 612 HD3 -0.03 -0.01 -0.13 -0.04 3.22 3.01 1m9sA1 THR 613 H -0.11 0.61 0.30 -0.55 8.28 8.53 1m9sA1 THR 613 HA -0.07 0.28 0.79 -0.75 4.39 4.64 1m9sA1 THR 613 HB 0.02 -0.15 0.23 -0.04 4.32 4.38 1m9sA1 THR 613 HG23 0.02 -0.03 0.11 -0.04 1.22 1.27 1m9sA1 SER 614 H -0.03 0.20 0.17 -0.55 8.46 8.26 1m9sA1 SER 614 HA -0.03 0.10 0.30 -0.75 4.49 4.12 1m9sA1 SER 614 HB2 -0.03 0.00 0.12 -0.04 3.95 4.00 1m9sA1 SER 614 HB3 -0.01 -0.03 0.06 -0.04 3.93 3.91 1m9sA1 SER 615 H 0.00 -0.24 -1.08 -0.55 8.46 6.60 1m9sA1 SER 615 HA 0.01 0.21 0.85 -0.75 4.49 4.80 1m9sA1 SER 615 HB2 0.03 -0.09 0.09 -0.04 3.95 3.94 1m9sA1 SER 615 HB3 0.02 0.03 -0.00 -0.04 3.93 3.94 1m9sA1 THR 616 H 0.03 -0.02 0.10 -0.55 8.28 7.84 1m9sA1 THR 616 HA 0.06 0.28 1.10 -0.75 4.39 5.07 1m9sA1 THR 616 HB 0.06 -0.00 -0.05 -0.04 4.32 4.28 1m9sA1 THR 616 HG23 0.08 0.05 0.06 -0.04 1.22 1.37 1m9sA1 PHE 617 H 0.18 0.15 0.15 -0.55 8.34 8.27 1m9sA1 PHE 617 HA -0.10 0.02 0.58 -0.75 4.62 4.36 1m9sA1 PHE 617 HB2 -0.04 0.01 0.07 -0.04 3.15 3.15 1m9sA1 PHE 617 HB3 -0.01 -0.00 0.13 -0.04 3.06 3.13 1m9sA1 PHE 617 HD2 -0.05 -0.01 -0.09 -0.04 7.28 7.09 1m9sA1 PHE 617 HE2 -0.07 -0.00 -0.12 -0.04 7.38 7.14 1m9sA1 PHE 617 HZ 0.06 0.01 -0.10 -0.04 7.32 7.24 1m9sA1 ILE 618 H -0.68 0.31 0.38 -0.55 8.25 7.71 1m9sA1 ILE 618 HA -0.56 0.18 0.80 -0.75 4.18 3.85 1m9sA1 ILE 618 HB -0.70 0.08 -0.07 -0.04 1.89 1.15 1m9sA1 ILE 618 HG12 -0.67 0.05 -0.18 -0.04 1.49 0.65 1m9sA1 ILE 618 HG13 -0.45 -0.06 -0.03 -0.04 1.21 0.63 1m9sA1 ILE 618 HG23 -1.32 -0.01 -0.29 -0.04 0.93 -0.73 1m9sA1 ILE 618 HD13 -1.00 -0.02 -0.20 -0.04 0.88 -0.39 1m9sA1 GLY 619 H -0.76 0.49 0.23 -0.55 8.43 7.84 1m9sA1 GLY 619 HA2 -0.38 0.05 0.24 -0.51 4.01 3.40 1m9sA1 GLY 619 HA3 -0.10 0.16 0.55 -0.51 4.01 4.11 1m9sA1 TRP 620 H 0.44 0.96 0.26 -0.55 7.97 9.09 1m9sA1 TRP 620 HA 0.22 0.27 1.02 -0.75 4.62 5.37 1m9sA1 TRP 620 HB2 0.21 0.05 -0.36 -0.04 3.23 3.08 1m9sA1 TRP 620 HB3 0.34 -0.08 -0.32 -0.04 3.23 3.13 1m9sA1 TRP 620 HD1 0.18 0.21 -0.43 -0.04 7.22 7.15 1m9sA1 TRP 620 HE1 0.14 0.05 -0.09 -0.04 10.20 10.26 1m9sA1 TRP 620 HE3 0.33 -0.01 -0.39 -0.04 7.59 7.48 1m9sA1 TRP 620 HZ2 0.10 0.04 -0.12 -0.04 7.44 7.42 1m9sA1 TRP 620 HZ3 0.23 0.02 -0.43 -0.04 7.13 6.90 1m9sA1 TRP 620 HH2 0.12 0.10 -0.30 -0.04 7.19 7.07 1m9sA1 THR 621 H 0.45 0.73 0.33 -0.55 8.28 9.24 1m9sA1 THR 621 HA 0.32 0.13 0.72 -0.75 4.39 4.81 1m9sA1 THR 621 HB 0.16 0.03 -0.21 -0.04 4.32 4.26 1m9sA1 THR 621 HG23 0.01 -0.01 -0.22 -0.04 1.22 0.96 1m9sA1 LYS 622 H -0.57 0.19 0.13 -0.55 8.42 7.61 1m9sA1 LYS 622 HA -0.91 0.15 0.68 -0.75 4.32 3.49 1m9sA1 LYS 622 HB2 -0.51 0.02 0.13 -0.04 1.87 1.47 1m9sA1 LYS 622 HB3 -0.55 -0.07 0.11 -0.04 1.79 1.23 1m9sA1 LYS 622 HG2 -2.73 0.04 -0.06 -0.04 1.46 -1.34 1m9sA1 LYS 622 HG3 -1.37 0.01 0.02 -0.04 1.46 0.09 1m9sA1 LYS 622 HD2 -0.37 0.01 0.00 -0.04 1.69 1.30 1m9sA1 LYS 622 HD3 -0.46 -0.01 0.00 -0.04 1.68 1.18 1m9sA1 LYS 622 HE2 -0.05 0.03 -0.03 -0.04 2.99 2.90 1m9sA1 LYS 622 HE3 0.02 0.02 -0.08 -0.04 2.99 2.90 1m9sA1 ALA 623 H -0.42 0.72 0.38 -0.55 8.40 8.53 1m9sA1 ALA 623 HA -0.31 0.07 0.38 -0.75 4.34 3.73 1m9sA1 ALA 623 HB3 -0.96 0.02 -0.03 -0.04 1.41 0.40 1m9sA1 ALA 624 H -0.29 0.09 -0.32 -0.55 8.40 7.34 1m9sA1 ALA 624 HA -0.12 0.10 0.37 -0.75 4.34 3.94 1m9sA1 ALA 624 HB3 -0.16 0.00 0.07 -0.04 1.41 1.29 1m9sA1 ASN 625 H -0.15 0.30 -0.91 -0.55 8.53 7.23 1m9sA1 ASN 625 HA -0.06 0.15 0.90 -0.75 4.76 5.00 1m9sA1 ASN 625 HB2 -0.08 0.14 -0.02 -0.04 2.88 2.88 1m9sA1 ASN 625 HB3 -0.04 -0.05 0.13 -0.04 2.79 2.79 1m9sA1 ASN 625 HD21 -0.21 -0.04 0.01 -0.04 7.03 6.75 1m9sA1 ASN 625 HD22 -0.19 0.08 0.06 -0.04 7.74 7.65 1m9sA1 LEU 626 H -0.04 0.53 -0.06 -0.55 8.37 8.25 1m9sA1 LEU 626 HA 0.02 0.16 1.07 -0.75 4.35 4.85 1m9sA1 LEU 626 HB2 0.07 0.01 0.03 -0.04 1.64 1.71 1m9sA1 LEU 626 HB3 0.07 -0.07 0.17 -0.04 1.64 1.76 1m9sA1 LEU 626 HG 0.00 0.06 -0.18 -0.04 1.64 1.48 1m9sA1 LEU 626 HD13 -0.03 -0.08 -0.54 -0.04 0.93 0.24 1m9sA1 LEU 626 HD23 0.07 -0.02 -0.21 -0.04 0.89 0.69 1m9sA1 ARG 627 H 0.09 0.41 0.29 -0.55 8.46 8.70 1m9sA1 ARG 627 HA 0.06 0.15 0.69 -0.75 4.34 4.49 1m9sA1 ARG 627 HB2 0.04 -0.06 0.05 -0.04 1.90 1.88 1m9sA1 ARG 627 HB3 0.05 0.06 -0.35 -0.04 1.80 1.52 1m9sA1 ARG 627 HG2 0.14 0.03 -0.28 -0.04 1.67 1.52 1m9sA1 ARG 627 HG3 0.19 -0.01 -0.48 -0.04 1.67 1.33 1m9sA1 ARG 627 HD2 -0.02 -0.06 -0.11 -0.04 3.22 2.99 1m9sA1 ARG 627 HD3 -0.01 0.05 -0.12 -0.04 3.22 3.10 1m9sA1 ALA 628 H 0.08 0.13 0.18 -0.55 8.40 8.24 1m9sA1 ALA 628 HA 0.14 0.31 0.86 -0.75 4.34 4.90 1m9sA1 ALA 628 HB3 0.06 0.01 0.11 -0.04 1.41 1.56 1m9sA1 GLN 629 H 0.05 -0.08 -0.01 -0.55 8.47 7.89 1m9sA1 GLN 629 HA 0.01 0.10 0.13 -0.75 4.36 3.85 1m9sA1 GLN 629 HB2 -0.03 0.00 -0.01 -0.04 2.15 2.07 1m9sA1 GLN 629 HB3 -0.04 0.06 0.04 -0.04 2.02 2.04 1m9sA1 GLN 629 HG2 -0.00 0.06 0.03 -0.04 2.40 2.45 1m9sA1 GLN 629 HG3 0.02 -0.13 0.09 -0.04 2.39 2.33 1m9sA1 GLN 629 HE21 0.00 0.03 0.02 -0.04 6.97 6.98 1m9sA1 GLN 629 HE22 0.01 -0.05 0.06 -0.04 7.69 7.67