============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 96 rings ring int. center anis. iso. PHE 10 1.000 32.305 133.871 47.230 -99.200 -91.000 PHE 23 1.000 26.847 123.983 58.939 -99.200 -91.000 PHE 27 1.000 28.845 120.167 60.946 -99.200 -91.000 PHE 29 1.000 30.487 124.440 62.517 -99.200 -91.000 TYR 36 0.840 58.583 119.066 58.899 -99.200 -91.000 TRP 49 1.040 57.402 115.836 54.741 -99.200 -91.000 TRP6 49 1.020 57.540 117.499 53.101 -99.200 -91.000 PHE 52 1.000 61.449 116.638 49.732 -99.200 -91.000 HIS 54 0.900 66.941 120.158 57.701 -99.200 -91.000 TYR 56 0.840 66.674 115.708 47.655 -99.200 -91.000 HIS 64 0.900 66.880 127.281 49.715 -99.200 -91.000 PHE 74 1.000 58.750 120.358 73.331 -99.200 -91.000 TYR 76 0.840 56.102 129.625 72.667 -99.200 -91.000 TRP 77 1.040 51.931 122.544 75.597 -99.200 -91.000 TRP6 77 1.020 50.151 122.248 77.097 -99.200 -91.000 TYR 92 0.840 44.369 121.478 67.470 -99.200 -91.000 PHE 94 1.000 46.455 116.409 68.835 -99.200 -91.000 TRP 98 1.040 56.531 106.120 64.038 -99.200 -91.000 TRP6 98 1.020 55.721 105.026 62.122 -99.200 -91.000 TYR 118 0.840 53.814 118.432 72.568 -99.200 -91.000 TYR 119 0.840 52.196 114.271 70.532 -99.200 -91.000 HIS 120 0.900 49.707 110.613 78.306 -99.200 -91.000 PHE 134 1.000 37.139 115.188 65.136 -99.200 -91.000 PHE 138 1.000 53.040 108.680 57.776 -99.200 -91.000 HIS 139 0.900 49.029 116.092 58.202 -99.200 -91.000 TRP 140 1.040 51.488 113.444 54.175 -99.200 -91.000 TRP6 140 1.020 51.336 115.446 52.970 -99.200 -91.000 TYR 150 0.840 60.972 99.572 56.725 -99.200 -91.000 PHE 153 1.000 53.530 104.270 55.025 -99.200 -91.000 PHE 162 1.000 50.306 103.710 60.493 -99.200 -91.000 TYR 165 0.840 52.930 106.319 65.438 -99.200 -91.000 PHE 170 1.000 44.853 102.867 67.696 -99.200 -91.000 PHE 173 1.000 49.225 109.675 73.375 -99.200 -91.000 TYR 179 0.840 34.987 111.639 66.991 -99.200 -91.000 TRP 180 1.040 42.282 107.091 67.937 -99.200 -91.000 TRP6 180 1.020 44.385 107.921 68.610 -99.200 -91.000 TYR 187 0.840 46.420 111.759 43.913 -99.200 -91.000 TYR 194 0.840 57.698 106.631 48.021 -99.200 -91.000 TYR 213 0.840 66.239 108.798 48.107 -99.200 -91.000 TYR 222 0.840 49.849 103.050 39.882 -99.200 -91.000 HIS 226 0.900 48.422 96.541 47.275 -99.200 -91.000 HIS 227 0.900 54.061 98.094 50.292 -99.200 -91.000 HIS 232 0.900 42.828 102.874 56.725 -99.200 -91.000 TYR 239 0.840 40.150 102.692 67.680 -99.200 -91.000 TYR 243 0.840 44.159 99.488 71.786 -99.200 -91.000 HIS 245 0.900 39.631 98.969 75.741 -99.200 -91.000 TRP 258 1.040 32.516 117.539 41.105 -99.200 -91.000 TRP6 258 1.020 32.068 115.258 41.521 -99.200 -91.000 PHE 259 1.000 39.255 115.328 39.771 -99.200 -91.000 TYR 262 0.840 39.729 122.452 28.117 -99.200 -91.000 HIS 268 0.900 37.122 111.696 22.362 -99.200 -91.000 PHE 279 1.000 43.558 105.892 36.470 -99.200 -91.000 PHE 280 1.000 42.656 113.681 43.664 -99.200 -91.000 TRP 283 1.040 45.705 104.439 43.654 -99.200 -91.000 TRP6 283 1.020 47.297 106.135 43.313 -99.200 -91.000 PHE 284 1.000 44.893 106.156 47.628 -99.200 -91.000 TYR 293 0.840 44.470 99.043 44.039 -99.200 -91.000 PHE 308 1.000 44.186 95.794 47.822 -99.200 -91.000 TYR 320 0.840 34.677 103.424 55.276 -99.200 -91.000 PHE 322 1.000 36.422 109.390 61.477 -99.200 -91.000 TYR 327 0.840 36.484 120.930 47.749 -99.200 -91.000 TYR 328 0.840 43.029 122.220 51.346 -99.200 -91.000 PHE 329 1.000 43.196 122.428 44.210 -99.200 -91.000 TYR 332 0.840 36.463 123.838 34.363 -99.200 -91.000 HIS 345 0.900 53.670 106.121 32.787 -99.200 -91.000 TYR 357 0.840 43.302 124.808 39.062 -99.200 -91.000 HIS 363 0.900 33.412 129.722 34.322 -99.200 -91.000 TYR 364 0.840 40.949 132.395 34.460 -99.200 -91.000 PHE 369 1.000 43.285 127.020 47.324 -99.200 -91.000 TYR 381 0.840 42.281 131.300 38.894 -99.200 -91.000 TYR 382 0.840 37.700 130.338 46.416 -99.200 -91.000 TYR 383 0.840 32.768 124.216 41.117 -99.200 -91.000 TYR 388 0.840 24.941 120.206 46.641 -99.200 -91.000 TYR 393 0.840 31.815 110.280 42.912 -99.200 -91.000 PHE 394 1.000 34.344 110.667 49.006 -99.200 -91.000 TYR 398 0.840 33.632 105.982 46.463 -99.200 -91.000 TYR 399 0.840 28.750 100.732 48.786 -99.200 -91.000 TYR 404 0.840 33.209 113.555 62.293 -99.200 -91.000 TYR 425 0.840 38.358 142.357 55.347 -99.200 -91.000 TYR 430 0.840 38.695 128.008 50.402 -99.200 -91.000 HIS 434 0.900 35.114 126.294 49.588 -99.200 -91.000 PHE 437 1.000 27.597 125.976 46.742 -99.200 -91.000 TYR 452 0.840 34.713 123.817 57.692 -99.200 -91.000 TRP 455 1.040 46.035 123.796 56.652 -99.200 -91.000 TRP6 455 1.020 46.777 122.018 57.991 -99.200 -91.000 TYR 461 0.840 57.582 123.440 55.808 -99.200 -91.000 PHE 463 1.000 53.837 118.917 55.163 -99.200 -91.000 PHE 467 1.000 58.247 128.858 58.228 -99.200 -91.000 PHE 471 1.000 47.261 127.041 53.064 -99.200 -91.000 TYR 475 0.840 50.998 137.894 61.564 -99.200 -91.000 TRP 478 1.040 56.495 133.186 60.017 -99.200 -91.000 TRP6 478 1.020 55.788 131.281 61.208 -99.200 -91.000 TRP 492 1.040 32.863 134.748 59.338 -99.200 -91.000 TRP6 492 1.020 33.559 132.587 58.729 -99.200 -91.000 TYR 493 0.840 35.649 128.437 62.236 -99.200 -91.000 PHE 496 1.000 29.886 129.066 60.886 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1dwiM1 GLU 3 HA -0.02 -0.07 0.20 -0.75 4.29 3.64 1dwiM1 GLU 3 HB2 -0.01 -0.02 0.04 -0.04 2.09 2.05 1dwiM1 GLU 3 HB3 -0.02 -0.04 -0.04 -0.04 1.99 1.85 1dwiM1 GLU 3 HG2 -0.01 -0.02 0.05 -0.04 2.34 2.32 1dwiM1 GLU 3 HG3 -0.01 -0.02 -0.00 -0.04 2.34 2.27 1dwiM1 ILE 4 H -0.03 0.11 0.08 -0.55 8.25 7.86 1dwiM1 ILE 4 HA -0.06 0.14 0.83 -0.75 4.18 4.33 1dwiM1 ILE 4 HB -0.05 -0.05 0.12 -0.04 1.89 1.88 1dwiM1 ILE 4 HG12 -0.07 0.07 -0.05 -0.04 1.49 1.39 1dwiM1 ILE 4 HG13 -0.05 -0.03 -0.13 -0.04 1.21 0.96 1dwiM1 ILE 4 HG23 -0.11 -0.02 -0.18 -0.04 0.93 0.58 1dwiM1 ILE 4 HD13 -0.08 0.01 -0.06 -0.04 0.88 0.70 1dwiM1 THR 5 H -0.07 0.27 0.17 -0.55 8.28 8.10 1dwiM1 THR 5 HA -0.10 0.14 0.88 -0.75 4.39 4.55 1dwiM1 THR 5 HB -0.05 -0.01 0.06 -0.04 4.32 4.28 1dwiM1 THR 5 HG23 -0.05 -0.02 -0.11 -0.04 1.22 1.00 1dwiM1 CYS 6 H -0.24 0.24 0.11 -0.55 8.50 8.06 1dwiM1 CYS 6 HA -0.23 0.21 1.01 -0.75 4.58 4.81 1dwiM1 CYS 6 HB2 -1.84 -0.03 -0.07 -0.04 2.97 1.00 1dwiM1 CYS 6 HB3 -1.00 0.05 -0.06 -0.04 2.97 1.92 1dwiM1 GLN 7 H -0.01 0.12 0.15 -0.55 8.47 8.18 1dwiM1 GLN 7 HA 0.06 0.09 0.58 -0.75 4.36 4.33 1dwiM1 GLN 7 HB2 0.37 -0.08 0.12 -0.04 2.15 2.52 1dwiM1 GLN 7 HB3 0.03 0.13 0.03 -0.04 2.02 2.17 1dwiM1 GLN 7 HG2 -0.00 0.10 0.04 -0.04 2.40 2.49 1dwiM1 GLN 7 HG3 0.02 -0.02 -0.02 -0.04 2.39 2.32 1dwiM1 GLN 7 HE21 0.03 -0.10 0.06 -0.04 6.97 6.92 1dwiM1 GLN 7 HE22 0.00 0.10 0.02 -0.04 7.69 7.76 1dwiM1 GLU 8 H 0.12 0.12 0.22 -0.55 8.60 8.52 1dwiM1 GLU 8 HA 0.31 0.15 0.96 -0.75 4.29 4.95 1dwiM1 GLU 8 HB2 0.12 0.02 0.07 -0.04 2.09 2.27 1dwiM1 GLU 8 HB3 0.13 0.02 0.12 -0.04 1.99 2.22 1dwiM1 GLU 8 HG2 0.19 -0.05 -0.13 -0.04 2.34 2.31 1dwiM1 GLU 8 HG3 0.22 0.09 -0.06 -0.04 2.34 2.55 1dwiM1 ASN 9 H -0.05 0.10 0.09 -0.55 8.53 8.12 1dwiM1 ASN 9 HA -0.05 0.16 0.91 -0.75 4.76 5.03 1dwiM1 ASN 9 HB2 -0.08 0.03 -0.03 -0.04 2.88 2.75 1dwiM1 ASN 9 HB3 -0.06 0.07 0.02 -0.04 2.79 2.78 1dwiM1 ASN 9 HD21 0.08 0.04 -0.05 -0.04 7.03 7.05 1dwiM1 ASN 9 HD22 0.02 -0.01 -0.01 -0.04 7.74 7.70 1dwiM1 LEU 10 H -0.21 0.09 0.10 -0.55 8.37 7.80 1dwiM1 LEU 10 HA -0.71 -0.06 0.39 -0.75 4.35 3.21 1dwiM1 LEU 10 HB2 -0.09 0.01 0.08 -0.04 1.64 1.61 1dwiM1 LEU 10 HB3 -0.09 0.03 0.02 -0.04 1.64 1.55 1dwiM1 LEU 10 HG 0.02 -0.02 0.08 -0.04 1.64 1.69 1dwiM1 LEU 10 HD13 0.06 0.01 0.04 -0.04 0.93 1.00 1dwiM1 LEU 10 HD23 0.20 -0.00 0.02 -0.04 0.89 1.07 1dwiM1 PRO 11 HA -0.17 -0.07 0.42 -0.51 4.44 4.11 1dwiM1 PRO 11 HB2 -0.05 0.11 -0.04 -0.04 2.28 2.26 1dwiM1 PRO 11 HB3 -0.05 -0.01 0.09 -0.04 2.02 2.01 1dwiM1 PRO 11 HG2 -0.07 0.03 0.04 -0.04 2.03 1.99 1dwiM1 PRO 11 HG3 -0.05 0.02 0.06 -0.04 2.03 2.02 1dwiM1 PRO 11 HD2 -0.10 0.11 0.32 -0.04 3.68 3.97 1dwiM1 PRO 11 HD3 -0.08 0.07 0.14 -0.04 3.65 3.74 1dwiM1 PHE 12 H 0.04 0.09 0.15 -0.55 8.34 8.07 1dwiM1 PHE 12 HA 0.01 0.21 0.84 -0.75 4.62 4.92 1dwiM1 PHE 12 HB2 0.01 -0.02 0.04 -0.04 3.15 3.14 1dwiM1 PHE 12 HB3 -0.00 -0.12 0.05 -0.04 3.06 2.94 1dwiM1 PHE 12 HD2 0.06 -0.06 -0.04 -0.04 7.28 7.19 1dwiM1 PHE 12 HE2 0.12 0.05 -0.36 -0.04 7.38 7.15 1dwiM1 PHE 12 HZ 0.11 0.10 -0.32 -0.04 7.32 7.17 1dwiM1 THR 13 H 0.14 0.16 0.21 -0.55 8.28 8.24 1dwiM1 THR 13 HA 0.06 0.21 0.74 -0.75 4.39 4.65 1dwiM1 THR 13 HB 0.04 0.02 0.17 -0.04 4.32 4.50 1dwiM1 THR 13 HG23 0.01 0.03 -0.19 -0.04 1.22 1.03 1dwiM1 CYS 14 H 0.11 0.05 -0.01 -0.55 8.50 8.11 1dwiM1 CYS 14 HA 0.08 0.16 -0.17 -0.75 4.58 3.89 1dwiM1 CYS 14 HB2 0.06 0.13 0.04 -0.04 2.97 3.16 1dwiM1 CYS 14 HB3 0.05 0.01 0.03 -0.04 2.97 3.02 1dwiM1 GLY 15 H 0.01 0.09 -0.49 -0.55 8.43 7.50 1dwiM1 GLY 15 HA2 -0.19 0.16 0.40 -0.51 4.01 3.86 1dwiM1 GLY 15 HA3 -0.14 -0.05 0.20 -0.51 4.01 3.51 1dwiM1 ASN 16 H 0.12 0.26 -0.25 -0.55 8.53 8.11 1dwiM1 ASN 16 HA 0.16 0.08 0.72 -0.75 4.76 4.96 1dwiM1 ASN 16 HB2 0.08 0.02 0.09 -0.04 2.88 3.02 1dwiM1 ASN 16 HB3 0.08 0.04 0.16 -0.04 2.79 3.02 1dwiM1 ASN 16 HD21 0.04 0.03 -0.01 -0.04 7.03 7.05 1dwiM1 ASN 16 HD22 0.04 0.01 0.01 -0.04 7.74 7.76 1dwiM1 THR 17 H 0.20 0.21 0.14 -0.55 8.28 8.28 1dwiM1 THR 17 HA 0.17 0.39 0.44 -0.75 4.39 4.64 1dwiM1 THR 17 HB -0.01 0.10 0.05 -0.04 4.32 4.42 1dwiM1 THR 17 HG23 0.16 0.02 -0.07 -0.04 1.22 1.28 1dwiM1 ASP 18 H 0.07 -0.03 -0.40 -0.55 8.40 7.50 1dwiM1 ASP 18 HA 0.01 0.15 0.55 -0.75 4.63 4.59 1dwiM1 ASP 18 HB2 0.04 -0.06 -0.07 -0.04 2.71 2.57 1dwiM1 ASP 18 HB3 0.02 0.03 -0.07 -0.04 2.70 2.64 1dwiM1 ALA 19 H 0.07 0.42 -0.15 -0.55 8.40 8.20 1dwiM1 ALA 19 HA 0.02 0.16 0.74 -0.75 4.34 4.51 1dwiM1 ALA 19 HB3 0.05 -0.00 -0.01 -0.04 1.41 1.40 1dwiM1 LEU 20 H 0.12 0.33 0.01 -0.55 8.37 8.29 1dwiM1 LEU 20 HA 0.08 0.12 0.66 -0.75 4.35 4.46 1dwiM1 LEU 20 HB2 0.13 -0.04 -0.10 -0.04 1.64 1.59 1dwiM1 LEU 20 HB3 0.27 0.10 0.06 -0.04 1.64 2.02 1dwiM1 LEU 20 HG 0.57 0.00 -0.29 -0.04 1.64 1.88 1dwiM1 LEU 20 HD13 0.19 -0.00 -0.01 -0.04 0.93 1.06 1dwiM1 LEU 20 HD23 0.20 -0.05 -0.04 -0.04 0.89 0.96 1dwiM1 ASN 21 H -0.02 0.24 0.13 -0.55 8.53 8.34 1dwiM1 ASN 21 HA -0.87 0.12 0.64 -0.75 4.76 3.89 1dwiM1 ASN 21 HB2 -0.40 0.19 0.27 -0.04 2.88 2.90 1dwiM1 ASN 21 HB3 -0.15 0.19 -0.04 -0.04 2.79 2.74 1dwiM1 ASN 21 HD21 -0.06 -0.04 -0.15 -0.04 7.03 6.74 1dwiM1 ASN 21 HD22 -0.05 0.63 -0.11 -0.04 7.74 8.16 1dwiM1 SER 22 H -0.95 0.84 0.29 -0.55 8.46 8.09 1dwiM1 SER 22 HA -0.50 -0.01 0.33 -0.75 4.49 3.55 1dwiM1 SER 22 HB2 -0.02 0.01 0.10 -0.04 3.95 4.01 1dwiM1 SER 22 HB3 -0.76 -0.03 0.14 -0.04 3.93 3.25 1dwiM1 SER 23 H -0.18 0.08 -0.23 -0.55 8.46 7.58 1dwiM1 SER 23 HA 0.01 0.19 0.46 -0.75 4.49 4.39 1dwiM1 SER 23 HB2 -0.07 -0.03 -0.03 -0.04 3.95 3.78 1dwiM1 SER 23 HB3 -0.03 -0.01 0.05 -0.04 3.93 3.90 1dwiM1 SER 24 H -0.01 0.35 -0.45 -0.55 8.46 7.81 1dwiM1 SER 24 HA -0.06 0.04 0.49 -0.75 4.49 4.21 1dwiM1 SER 24 HB2 0.01 0.08 0.02 -0.04 3.95 4.03 1dwiM1 SER 24 HB3 -0.14 -0.05 0.07 -0.04 3.93 3.77 1dwiM1 PHE 25 H 0.28 0.41 -0.35 -0.55 8.34 8.13 1dwiM1 PHE 25 HA -0.11 0.06 0.67 -0.75 4.62 4.49 1dwiM1 PHE 25 HB2 0.01 0.26 0.07 -0.04 3.15 3.46 1dwiM1 PHE 25 HB3 -0.45 -0.07 0.08 -0.04 3.06 2.57 1dwiM1 PHE 25 HD2 -0.61 0.05 -0.05 -0.04 7.28 6.63 1dwiM1 PHE 25 HE2 -0.00 -0.05 -0.17 -0.04 7.38 7.11 1dwiM1 PHE 25 HZ 0.03 0.03 -0.02 -0.04 7.32 7.32 1dwiM1 SER 26 H 0.13 0.06 0.12 -0.55 8.46 8.23 1dwiM1 SER 26 HA 0.08 0.08 0.49 -0.75 4.49 4.38 1dwiM1 SER 26 HB2 0.19 0.00 0.05 -0.04 3.95 4.16 1dwiM1 SER 26 HB3 0.10 -0.08 0.09 -0.04 3.93 4.00 1dwiM1 SER 27 H 0.07 0.09 0.18 -0.55 8.46 8.25 1dwiM1 SER 27 HA 0.09 0.19 0.21 -0.75 4.49 4.22 1dwiM1 SER 27 HB2 0.05 0.03 0.02 -0.04 3.95 4.01 1dwiM1 SER 27 HB3 0.05 0.00 0.12 -0.04 3.93 4.06 1dwiM1 ASP 28 H 0.10 -0.02 -0.25 -0.55 8.40 7.69 1dwiM1 ASP 28 HA 0.07 0.20 0.74 -0.75 4.63 4.89 1dwiM1 ASP 28 HB2 0.06 0.03 0.12 -0.04 2.71 2.88 1dwiM1 ASP 28 HB3 0.06 -0.06 0.05 -0.04 2.70 2.71 1dwiM1 PHE 29 H 0.24 0.42 -0.42 -0.55 8.34 8.02 1dwiM1 PHE 29 HA -0.08 0.11 0.34 -0.75 4.62 4.24 1dwiM1 PHE 29 HB2 0.05 -0.06 0.05 -0.04 3.15 3.15 1dwiM1 PHE 29 HB3 -0.08 0.06 -0.03 -0.04 3.06 2.97 1dwiM1 PHE 29 HD2 -0.87 0.02 -0.23 -0.04 7.28 6.16 1dwiM1 PHE 29 HE2 -0.34 0.04 -0.26 -0.04 7.38 6.78 1dwiM1 PHE 29 HZ -0.00 -0.06 -0.28 -0.04 7.32 6.94 1dwiM1 ILE 30 H -0.63 0.46 0.45 -0.55 8.25 7.98 1dwiM1 ILE 30 HA -0.07 0.14 0.66 -0.75 4.18 4.16 1dwiM1 ILE 30 HB -0.18 0.00 0.11 -0.04 1.89 1.78 1dwiM1 ILE 30 HG12 -0.00 0.00 -0.04 -0.04 1.49 1.41 1dwiM1 ILE 30 HG13 -0.05 0.00 -0.01 -0.04 1.21 1.11 1dwiM1 ILE 30 HG23 -0.09 -0.06 -0.39 -0.04 0.93 0.35 1dwiM1 ILE 30 HD13 0.01 -0.03 -0.04 -0.04 0.88 0.78 1dwiM1 PHE 31 H 0.11 0.25 0.27 -0.55 8.34 8.41 1dwiM1 PHE 31 HA 0.20 0.25 1.07 -0.75 4.62 5.39 1dwiM1 PHE 31 HB2 0.01 0.07 0.16 -0.04 3.15 3.35 1dwiM1 PHE 31 HB3 0.02 -0.01 0.02 -0.04 3.06 3.05 1dwiM1 PHE 31 HD2 0.23 0.06 0.00 -0.04 7.28 7.53 1dwiM1 PHE 31 HE2 -0.25 0.02 -0.06 -0.04 7.38 7.05 1dwiM1 PHE 31 HZ -1.93 -0.03 -0.11 -0.04 7.32 5.21 1dwiM1 GLY 32 H 0.33 0.57 0.38 -0.55 8.43 9.16 1dwiM1 GLY 32 HA2 0.18 0.08 0.53 -0.51 4.01 4.28 1dwiM1 GLY 32 HA3 0.12 0.30 0.56 -0.51 4.01 4.49 1dwiM1 VAL 33 H 0.17 0.41 0.32 -0.55 8.24 8.59 1dwiM1 VAL 33 HA 0.07 0.18 0.84 -0.75 4.13 4.47 1dwiM1 VAL 33 HB 0.02 -0.12 0.06 -0.04 2.12 2.04 1dwiM1 VAL 33 HG13 0.16 0.01 -0.21 -0.04 0.97 0.88 1dwiM1 VAL 33 HG23 0.09 0.00 -0.05 -0.04 0.95 0.95 1dwiM1 ALA 34 H -0.03 0.37 0.30 -0.55 8.40 8.49 1dwiM1 ALA 34 HA 0.02 0.31 1.03 -0.75 4.34 4.95 1dwiM1 ALA 34 HB3 0.23 -0.00 -0.09 -0.04 1.41 1.50 1dwiM1 SER 35 H -0.01 0.62 0.32 -0.55 8.46 8.84 1dwiM1 SER 35 HA -0.66 0.05 0.61 -0.75 4.49 3.74 1dwiM1 SER 35 HB2 -0.04 -0.06 0.12 -0.04 3.95 3.93 1dwiM1 SER 35 HB3 0.02 0.04 -0.13 -0.04 3.93 3.82 1dwiM1 SER 36 H 0.02 0.25 0.18 -0.55 8.46 8.35 1dwiM1 SER 36 HA -0.06 0.14 0.51 -0.75 4.49 4.33 1dwiM1 SER 36 HB2 -0.85 -0.04 0.16 -0.04 3.95 3.17 1dwiM1 SER 36 HB3 -0.86 0.15 -0.11 -0.04 3.93 3.07 1dwiM1 ALA 37 H 0.06 0.18 0.10 -0.55 8.40 8.20 1dwiM1 ALA 37 HA 0.18 0.15 0.16 -0.75 4.34 4.08 1dwiM1 ALA 37 HB3 0.25 0.09 -0.05 -0.04 1.41 1.66 1dwiM1 TYR 38 H 0.22 0.12 -0.02 -0.55 8.29 8.06 1dwiM1 TYR 38 HA 0.08 0.11 0.38 -0.75 4.56 4.39 1dwiM1 TYR 38 HB2 0.17 -0.05 0.07 -0.04 3.06 3.21 1dwiM1 TYR 38 HB3 0.05 0.06 0.00 -0.04 2.98 3.05 1dwiM1 TYR 38 HD2 -0.06 0.04 -0.14 -0.04 7.15 6.95 1dwiM1 TYR 38 HE2 -0.24 0.06 -0.14 -0.04 6.85 6.49 1dwiM1 GLN 39 H -0.00 0.06 -0.42 -0.55 8.47 7.56 1dwiM1 GLN 39 HA -0.11 0.08 0.43 -0.75 4.36 4.01 1dwiM1 GLN 39 HB2 -0.01 -0.02 0.07 -0.04 2.15 2.14 1dwiM1 GLN 39 HB3 -0.04 0.08 0.10 -0.04 2.02 2.12 1dwiM1 GLN 39 HG2 -0.60 0.12 -0.01 -0.04 2.40 1.87 1dwiM1 GLN 39 HG3 -0.40 -0.19 -0.04 -0.04 2.39 1.72 1dwiM1 GLN 39 HE21 0.03 -0.02 0.00 -0.04 6.97 6.95 1dwiM1 GLN 39 HE22 -0.35 0.45 0.27 -0.04 7.69 8.02 1dwiM1 ILE 40 H 0.03 0.22 -0.23 -0.55 8.25 7.72 1dwiM1 ILE 40 HA 0.10 0.15 1.17 -0.75 4.18 4.85 1dwiM1 ILE 40 HB 0.12 0.01 0.00 -0.04 1.89 1.98 1dwiM1 ILE 40 HG12 0.11 0.12 -0.07 -0.04 1.49 1.61 1dwiM1 ILE 40 HG13 0.15 0.02 -0.28 -0.04 1.21 1.05 1dwiM1 ILE 40 HG23 0.03 0.01 -0.13 -0.04 0.93 0.80 1dwiM1 ILE 40 HD13 0.17 0.00 -0.13 -0.04 0.88 0.88 1dwiM1 GLU 41 H 0.04 0.54 0.12 -0.55 8.60 8.76 1dwiM1 GLU 41 HA 0.13 -0.09 0.24 -0.75 4.29 3.82 1dwiM1 GLU 41 HB2 0.06 0.09 0.12 -0.04 2.09 2.31 1dwiM1 GLU 41 HB3 0.03 0.09 -0.05 -0.04 1.99 2.02 1dwiM1 GLU 41 HG2 0.20 0.03 -0.13 -0.04 2.34 2.39 1dwiM1 GLU 41 HG3 0.18 -0.09 0.06 -0.04 2.34 2.45 1dwiM1 GLY 42 H -0.04 0.08 -0.10 -0.55 8.43 7.82 1dwiM1 GLY 42 HA2 -0.05 0.23 0.10 -0.51 4.01 3.78 1dwiM1 GLY 42 HA3 -0.01 0.12 0.76 -0.51 4.01 4.37 1dwiM1 THR 43 H -0.04 0.57 0.29 -0.55 8.28 8.55 1dwiM1 THR 43 HA -0.03 0.07 0.47 -0.75 4.39 4.14 1dwiM1 THR 43 HB -0.03 0.03 0.05 -0.04 4.32 4.32 1dwiM1 THR 43 HG23 0.02 -0.02 -0.04 -0.04 1.22 1.14 1dwiM1 ILE 44 H -0.14 0.07 -0.14 -0.55 8.25 7.49 1dwiM1 ILE 44 HA -0.19 -0.02 0.41 -0.75 4.18 3.63 1dwiM1 ILE 44 HB -0.15 -0.01 0.11 -0.04 1.89 1.80 1dwiM1 ILE 44 HG12 -0.62 0.04 -0.23 -0.04 1.49 0.65 1dwiM1 ILE 44 HG13 -0.21 -0.05 0.05 -0.04 1.21 0.97 1dwiM1 ILE 44 HG23 -0.40 0.00 -0.02 -0.04 0.93 0.47 1dwiM1 ILE 44 HD13 -0.02 0.00 -0.02 -0.04 0.88 0.80 1dwiM1 GLY 45 H -0.21 0.10 0.20 -0.55 8.43 7.97 1dwiM1 GLY 45 HA2 -0.18 -0.04 0.34 -0.51 4.01 3.61 1dwiM1 GLY 45 HA3 -0.49 0.08 0.34 -0.51 4.01 3.43 1dwiM1 ARG 46 H -0.13 0.53 -0.17 -0.55 8.46 8.15 1dwiM1 ARG 46 HA 0.00 0.18 0.92 -0.75 4.34 4.68 1dwiM1 ARG 46 HB2 0.06 -0.13 -0.34 -0.04 1.90 1.46 1dwiM1 ARG 46 HB3 -0.00 -0.02 -0.17 -0.04 1.80 1.57 1dwiM1 ARG 46 HG2 -0.07 0.16 -0.16 -0.04 1.67 1.56 1dwiM1 ARG 46 HG3 -0.00 0.09 -0.12 -0.04 1.67 1.59 1dwiM1 ARG 46 HD2 0.11 -0.12 -0.17 -0.04 3.22 3.00 1dwiM1 ARG 46 HD3 0.09 -0.07 -0.13 -0.04 3.22 3.07 1dwiM1 GLY 47 H 0.04 0.57 0.20 -0.55 8.43 8.70 1dwiM1 GLY 47 HA2 -0.01 0.11 0.75 -0.51 4.01 4.35 1dwiM1 GLY 47 HA3 0.01 0.05 0.45 -0.51 4.01 4.00 1dwiM1 LEU 48 H -0.02 0.17 0.20 -0.55 8.37 8.17 1dwiM1 LEU 48 HA 0.01 0.13 0.65 -0.75 4.35 4.39 1dwiM1 LEU 48 HB2 -0.05 -0.03 0.13 -0.04 1.64 1.65 1dwiM1 LEU 48 HB3 -0.06 0.01 0.01 -0.04 1.64 1.57 1dwiM1 LEU 48 HG -0.04 0.01 0.01 -0.04 1.64 1.57 1dwiM1 LEU 48 HD13 -0.07 0.02 -0.02 -0.04 0.93 0.82 1dwiM1 LEU 48 HD23 -0.07 0.02 -0.06 -0.04 0.89 0.74 1dwiM1 ASN 49 H 0.05 0.13 0.20 -0.55 8.53 8.37 1dwiM1 ASN 49 HA -0.03 0.11 0.90 -0.75 4.76 4.99 1dwiM1 ASN 49 HB2 0.10 0.02 -0.45 -0.04 2.88 2.51 1dwiM1 ASN 49 HB3 0.08 0.08 -0.35 -0.04 2.79 2.56 1dwiM1 ASN 49 HD21 0.39 0.04 -0.06 -0.04 7.03 7.36 1dwiM1 ASN 49 HD22 0.21 0.07 -0.12 -0.04 7.74 7.86 1dwiM1 ILE 50 H 0.03 0.55 0.16 -0.55 8.25 8.43 1dwiM1 ILE 50 HA -0.07 0.10 0.31 -0.75 4.18 3.77 1dwiM1 ILE 50 HB -0.17 0.05 0.10 -0.04 1.89 1.82 1dwiM1 ILE 50 HG12 0.08 -0.12 0.19 -0.04 1.49 1.60 1dwiM1 ILE 50 HG13 -0.13 0.01 -0.12 -0.04 1.21 0.92 1dwiM1 ILE 50 HG23 -0.07 0.07 -0.03 -0.04 0.93 0.86 1dwiM1 ILE 50 HD13 -0.04 0.02 -0.10 -0.04 0.88 0.72 1dwiM1 TRP 51 H 0.15 0.03 -0.20 -0.55 7.97 7.40 1dwiM1 TRP 51 HA -0.02 0.19 0.77 -0.75 4.62 4.81 1dwiM1 TRP 51 HB2 -0.54 -0.08 0.05 -0.04 3.23 2.62 1dwiM1 TRP 51 HB3 -1.29 0.05 -0.01 -0.04 3.23 1.93 1dwiM1 TRP 51 HD1 0.01 0.08 -0.18 -0.04 7.22 7.09 1dwiM1 TRP 51 HE1 -0.18 0.08 -0.03 -0.04 10.20 10.03 1dwiM1 TRP 51 HE3 0.22 -0.03 0.04 -0.04 7.59 7.78 1dwiM1 TRP 51 HZ2 -0.34 0.08 0.00 -0.04 7.44 7.14 1dwiM1 TRP 51 HZ3 0.59 0.12 0.06 -0.04 7.13 7.86 1dwiM1 TRP 51 HH2 0.22 0.21 0.05 -0.04 7.19 7.63 1dwiM1 ASP 52 H 0.12 0.02 -0.16 -0.55 8.40 7.83 1dwiM1 ASP 52 HA 0.25 0.05 0.44 -0.75 4.63 4.61 1dwiM1 ASP 52 HB2 -0.02 0.11 0.13 -0.04 2.71 2.89 1dwiM1 ASP 52 HB3 -0.16 0.09 -0.01 -0.04 2.70 2.58 1dwiM1 GLY 53 H -0.01 0.42 -0.09 -0.55 8.43 8.21 1dwiM1 GLY 53 HA2 -0.06 0.06 0.30 -0.51 4.01 3.80 1dwiM1 GLY 53 HA3 -0.05 0.04 0.26 -0.51 4.01 3.74 1dwiM1 PHE 54 H 0.05 0.49 -0.19 -0.55 8.34 8.14 1dwiM1 PHE 54 HA 0.04 0.12 0.36 -0.75 4.62 4.38 1dwiM1 PHE 54 HB2 -0.38 -0.00 0.12 -0.04 3.15 2.84 1dwiM1 PHE 54 HB3 -0.53 -0.09 0.17 -0.04 3.06 2.58 1dwiM1 PHE 54 HD2 -0.31 0.03 -0.21 -0.04 7.28 6.75 1dwiM1 PHE 54 HE2 -0.20 0.14 -0.20 -0.04 7.38 7.09 1dwiM1 PHE 54 HZ -0.15 0.23 -0.43 -0.04 7.32 6.92 1dwiM1 THR 55 H 0.21 0.46 -0.16 -0.55 8.28 8.25 1dwiM1 THR 55 HA -0.04 0.13 0.29 -0.75 4.39 4.02 1dwiM1 THR 55 HB 0.14 0.05 0.02 -0.04 4.32 4.49 1dwiM1 THR 55 HG23 0.52 -0.03 0.07 -0.04 1.22 1.74 1dwiM1 HIS 56 H 0.22 0.33 -0.47 -0.55 8.41 7.94 1dwiM1 HIS 56 HA -0.05 0.10 0.64 -0.75 4.63 4.56 1dwiM1 HIS 56 HB2 -0.05 0.10 0.09 -0.04 3.26 3.37 1dwiM1 HIS 56 HB3 -0.06 -0.03 -0.00 -0.04 3.20 3.06 1dwiM1 HIS 56 HD2 -0.01 0.01 -0.01 -0.04 6.97 6.91 1dwiM1 HIS 56 HE1 0.07 -0.19 -0.05 -0.04 7.75 7.53 1dwiM1 ARG 57 H -0.11 0.50 -0.02 -0.55 8.46 8.28 1dwiM1 ARG 57 HA -0.27 0.05 0.58 -0.75 4.34 3.94 1dwiM1 ARG 57 HB2 -0.28 -0.06 0.11 -0.04 1.90 1.64 1dwiM1 ARG 57 HB3 -0.53 0.04 0.11 -0.04 1.80 1.38 1dwiM1 ARG 57 HG2 -1.39 0.04 -0.10 -0.04 1.67 0.19 1dwiM1 ARG 57 HG3 -0.44 -0.04 0.09 -0.04 1.67 1.23 1dwiM1 ARG 57 HD2 -0.29 -0.07 0.00 -0.04 3.22 2.82 1dwiM1 ARG 57 HD3 -0.34 0.02 -0.02 -0.04 3.22 2.84 1dwiM1 TYR 58 H -0.26 0.47 -0.27 -0.55 8.29 7.68 1dwiM1 TYR 58 HA -0.20 0.14 0.72 -0.75 4.56 4.47 1dwiM1 TYR 58 HB2 -0.84 0.08 0.12 -0.04 3.06 2.38 1dwiM1 TYR 58 HB3 -0.35 -0.08 0.07 -0.04 2.98 2.57 1dwiM1 TYR 58 HD2 -0.23 -0.04 -0.01 -0.04 7.15 6.83 1dwiM1 TYR 58 HE2 0.05 0.10 0.01 -0.04 6.85 6.96 1dwiM1 PRO 59 HA -0.21 0.22 0.37 -0.51 4.44 4.31 1dwiM1 PRO 59 HB2 -0.77 -0.03 0.03 -0.04 2.28 1.47 1dwiM1 PRO 59 HB3 -0.22 0.10 0.14 -0.04 2.02 1.99 1dwiM1 PRO 59 HG2 -0.23 -0.05 0.06 -0.04 2.03 1.77 1dwiM1 PRO 59 HG3 -0.14 0.07 0.03 -0.04 2.03 1.95 1dwiM1 PRO 59 HD2 -0.16 0.15 -0.02 -0.04 3.68 3.62 1dwiM1 PRO 59 HD3 -0.18 0.30 -0.55 -0.04 3.65 3.17 1dwiM1 ASN 60 H -0.25 0.14 -0.22 -0.55 8.53 7.66 1dwiM1 ASN 60 HA -0.14 0.15 0.49 -0.75 4.76 4.51 1dwiM1 ASN 60 HB2 0.05 0.00 0.10 -0.04 2.88 2.99 1dwiM1 ASN 60 HB3 -0.02 -0.01 0.06 -0.04 2.79 2.78 1dwiM1 ASN 60 HD21 0.01 0.02 -0.04 -0.04 7.03 6.98 1dwiM1 ASN 60 HD22 0.03 -0.02 -0.01 -0.04 7.74 7.71 1dwiM1 LYS 61 H -0.14 0.49 -0.38 -0.55 8.42 7.84 1dwiM1 LYS 61 HA 0.05 0.13 0.76 -0.75 4.32 4.51 1dwiM1 LYS 61 HB2 -0.48 0.12 0.01 -0.04 1.87 1.48 1dwiM1 LYS 61 HB3 0.09 0.05 0.07 -0.04 1.79 1.96 1dwiM1 LYS 61 HG2 -0.01 -0.01 -0.06 -0.04 1.46 1.33 1dwiM1 LYS 61 HG3 -0.10 -0.12 -0.11 -0.04 1.46 1.09 1dwiM1 LYS 61 HD2 -0.47 -0.04 -0.05 -0.04 1.69 1.09 1dwiM1 LYS 61 HD3 0.07 0.21 0.01 -0.04 1.68 1.93 1dwiM1 LYS 61 HE2 -0.09 -0.06 -0.07 -0.04 2.99 2.73 1dwiM1 LYS 61 HE3 -0.27 -0.07 -0.08 -0.04 2.99 2.53 1dwiM1 SER 62 H -0.02 0.46 -0.14 -0.55 8.46 8.21 1dwiM1 SER 62 HA 0.45 -0.07 0.52 -0.75 4.49 4.63 1dwiM1 SER 62 HB2 0.28 0.00 0.09 -0.04 3.95 4.28 1dwiM1 SER 62 HB3 0.07 0.00 0.13 -0.04 3.93 4.09 1dwiM1 GLY 63 H 0.14 0.42 -0.21 -0.55 8.43 8.23 1dwiM1 GLY 63 HA2 0.12 0.44 -0.06 -0.51 4.01 4.00 1dwiM1 GLY 63 HA3 0.13 -0.15 0.04 -0.51 4.01 3.52 1dwiM1 PRO 64 HA 0.12 0.18 0.43 -0.51 4.44 4.66 1dwiM1 PRO 64 HB2 0.05 -0.02 0.04 -0.04 2.28 2.31 1dwiM1 PRO 64 HB3 0.05 0.04 0.12 -0.04 2.02 2.20 1dwiM1 PRO 64 HG2 0.05 0.00 0.11 -0.04 2.03 2.15 1dwiM1 PRO 64 HG3 0.06 0.10 0.09 -0.04 2.03 2.24 1dwiM1 PRO 64 HD2 0.05 0.13 0.19 -0.04 3.68 4.02 1dwiM1 PRO 64 HD3 0.08 0.35 0.22 -0.04 3.65 4.26 1dwiM1 ASP 65 H 0.09 0.04 -0.30 -0.55 8.40 7.69 1dwiM1 ASP 65 HA -0.01 0.22 0.66 -0.75 4.63 4.75 1dwiM1 ASP 65 HB2 0.06 0.06 0.10 -0.04 2.71 2.89 1dwiM1 ASP 65 HB3 0.05 0.04 0.03 -0.04 2.70 2.78 1dwiM1 HIS 66 H 0.28 0.53 -0.53 -0.55 8.41 8.14 1dwiM1 HIS 66 HA 0.05 0.28 0.25 -0.75 4.63 4.46 1dwiM1 HIS 66 HB2 0.01 0.11 -0.01 -0.04 3.26 3.33 1dwiM1 HIS 66 HB3 -0.01 -0.03 0.18 -0.04 3.20 3.29 1dwiM1 HIS 66 HD2 0.03 0.25 -0.10 -0.04 6.97 7.10 1dwiM1 HIS 66 HE1 -0.00 -0.02 -0.05 -0.04 7.75 7.63 1dwiM1 GLY 67 H 0.18 -0.16 -0.48 -0.55 8.43 7.42 1dwiM1 GLY 67 HA2 0.20 0.10 0.34 -0.51 4.01 4.13 1dwiM1 GLY 67 HA3 0.27 -0.14 0.20 -0.51 4.01 3.83 1dwiM1 ASN 68 H 0.21 0.18 0.22 -0.55 8.53 8.59 1dwiM1 ASN 68 HA -0.53 0.18 0.59 -0.75 4.76 4.25 1dwiM1 ASN 68 HB2 0.12 -0.13 0.09 -0.04 2.88 2.92 1dwiM1 ASN 68 HB3 0.02 0.29 -0.25 -0.04 2.79 2.80 1dwiM1 ASN 68 HD21 -0.16 0.00 -0.04 -0.04 7.03 6.79 1dwiM1 ASN 68 HD22 -0.25 0.22 -0.14 -0.04 7.74 7.54 1dwiM1 GLY 69 H -0.22 0.20 0.04 -0.55 8.43 7.90 1dwiM1 GLY 69 HA2 -0.32 0.14 0.56 -0.51 4.01 3.88 1dwiM1 GLY 69 HA3 -1.10 0.13 0.32 -0.51 4.01 2.86 1dwiM1 ASP 70 H 0.00 0.13 -0.46 -0.55 8.40 7.53 1dwiM1 ASP 70 HA 0.01 0.02 0.21 -0.75 4.63 4.13 1dwiM1 ASP 70 HB2 0.04 -0.00 0.07 -0.04 2.71 2.78 1dwiM1 ASP 70 HB3 0.04 0.06 -0.04 -0.04 2.70 2.72 1dwiM1 THR 71 H 0.01 -0.01 -0.12 -0.55 8.28 7.61 1dwiM1 THR 71 HA 0.02 0.17 0.99 -0.75 4.39 4.81 1dwiM1 THR 71 HB 0.05 0.08 0.02 -0.04 4.32 4.43 1dwiM1 THR 71 HG23 0.02 -0.01 -0.13 -0.04 1.22 1.06 1dwiM1 THR 72 H 0.03 -0.03 0.05 -0.55 8.28 7.78 1dwiM1 THR 72 HA 0.08 0.06 0.27 -0.75 4.39 4.04 1dwiM1 THR 72 HB 0.13 -0.02 -0.01 -0.04 4.32 4.37 1dwiM1 THR 72 HG23 0.01 0.03 -0.64 -0.04 1.22 0.59 1dwiM1 CYS 73 H 0.29 0.13 0.19 -0.55 8.50 8.57 1dwiM1 CYS 73 HA 0.34 0.14 0.55 -0.75 4.58 4.85 1dwiM1 CYS 73 HB2 0.11 0.09 0.12 -0.04 2.97 3.25 1dwiM1 CYS 73 HB3 0.28 0.02 0.06 -0.04 2.97 3.29 1dwiM1 ASP 74 H 0.17 0.31 -0.28 -0.55 8.40 8.05 1dwiM1 ASP 74 HA 0.12 0.19 0.34 -0.75 4.63 4.52 1dwiM1 ASP 74 HB2 0.16 0.07 -0.16 -0.04 2.71 2.74 1dwiM1 ASP 74 HB3 0.31 0.10 -0.09 -0.04 2.70 2.97 1dwiM1 SER 75 H 0.16 0.67 0.04 -0.55 8.46 8.78 1dwiM1 SER 75 HA 0.20 0.02 0.35 -0.75 4.49 4.30 1dwiM1 SER 75 HB2 0.18 -0.05 -0.27 -0.04 3.95 3.78 1dwiM1 SER 75 HB3 0.24 -0.02 -0.08 -0.04 3.93 4.03 1dwiM1 PHE 76 H 0.19 0.44 -0.06 -0.55 8.34 8.36 1dwiM1 PHE 76 HA -0.24 0.06 0.60 -0.75 4.62 4.28 1dwiM1 PHE 76 HB2 -0.21 0.06 0.05 -0.04 3.15 3.01 1dwiM1 PHE 76 HB3 -0.10 -0.03 0.10 -0.04 3.06 2.98 1dwiM1 PHE 76 HD2 -0.49 -0.04 -0.10 -0.04 7.28 6.61 1dwiM1 PHE 76 HE2 -0.16 -0.02 -0.06 -0.04 7.38 7.09 1dwiM1 PHE 76 HZ -0.04 -0.03 -0.07 -0.04 7.32 7.14 1dwiM1 SER 77 H -0.03 0.23 -0.15 -0.55 8.46 7.97 1dwiM1 SER 77 HA -0.27 0.11 0.52 -0.75 4.49 4.10 1dwiM1 SER 77 HB2 -1.11 0.15 0.12 -0.04 3.95 3.07 1dwiM1 SER 77 HB3 -0.73 -0.03 0.04 -0.04 3.93 3.17 1dwiM1 TYR 78 H -0.04 0.41 0.03 -0.55 8.29 8.14 1dwiM1 TYR 78 HA -0.21 0.13 0.62 -0.75 4.56 4.35 1dwiM1 TYR 78 HB2 -0.01 0.18 0.04 -0.04 3.06 3.23 1dwiM1 TYR 78 HB3 -0.09 -0.03 0.18 -0.04 2.98 3.00 1dwiM1 TYR 78 HD2 -0.05 0.15 -0.08 -0.04 7.15 7.13 1dwiM1 TYR 78 HE2 -0.02 -0.03 -0.09 -0.04 6.85 6.67 1dwiM1 TRP 79 H 0.18 0.37 -0.34 -0.55 7.97 7.63 1dwiM1 TRP 79 HA -0.00 -0.03 0.34 -0.75 4.62 4.18 1dwiM1 TRP 79 HB2 -0.17 -0.06 0.04 -0.04 3.23 3.00 1dwiM1 TRP 79 HB3 0.01 0.25 0.13 -0.04 3.23 3.57 1dwiM1 TRP 79 HD1 -0.09 0.36 -0.07 -0.04 7.22 7.38 1dwiM1 TRP 79 HE1 -0.14 0.01 0.02 -0.04 10.20 10.05 1dwiM1 TRP 79 HE3 -0.15 -0.05 -0.28 -0.04 7.59 7.06 1dwiM1 TRP 79 HZ2 -0.08 -0.00 -0.02 -0.04 7.44 7.30 1dwiM1 TRP 79 HZ3 -0.09 0.06 -0.10 -0.04 7.13 6.96 1dwiM1 TRP 79 HH2 -0.06 0.03 -0.05 -0.04 7.19 7.06 1dwiM1 GLN 80 H -1.25 0.18 -0.27 -0.55 8.47 6.58 1dwiM1 GLN 80 HA -0.55 0.10 0.42 -0.75 4.36 3.57 1dwiM1 GLN 80 HB2 -1.46 0.04 0.06 -0.04 2.15 0.74 1dwiM1 GLN 80 HB3 -0.65 0.01 0.01 -0.04 2.02 1.35 1dwiM1 GLN 80 HG2 -0.36 0.02 -0.04 -0.04 2.40 1.98 1dwiM1 GLN 80 HG3 -0.29 -0.02 -0.20 -0.04 2.39 1.83 1dwiM1 GLN 80 HE21 -0.09 0.06 -0.01 -0.04 6.97 6.89 1dwiM1 GLN 80 HE22 -0.59 -0.02 -0.01 -0.04 7.69 7.04 1dwiM1 LYS 81 H -0.21 0.26 -0.23 -0.55 8.42 7.68 1dwiM1 LYS 81 HA -0.14 0.05 0.59 -0.75 4.32 4.06 1dwiM1 LYS 81 HB2 -0.06 0.18 0.13 -0.04 1.87 2.08 1dwiM1 LYS 81 HB3 -0.12 -0.06 0.12 -0.04 1.79 1.69 1dwiM1 LYS 81 HG2 -0.10 -0.09 0.07 -0.04 1.46 1.30 1dwiM1 LYS 81 HG3 -0.19 0.15 0.06 -0.04 1.46 1.44 1dwiM1 LYS 81 HD2 -0.14 -0.01 0.02 -0.04 1.69 1.52 1dwiM1 LYS 81 HD3 -0.15 -0.03 -0.08 -0.04 1.68 1.38 1dwiM1 LYS 81 HE2 -0.10 -0.00 -0.03 -0.04 2.99 2.81 1dwiM1 LYS 81 HE3 -0.16 -0.02 -0.05 -0.04 2.99 2.71 1dwiM1 ASP 82 H -0.05 0.33 -0.23 -0.55 8.40 7.90 1dwiM1 ASP 82 HA -0.10 0.02 0.46 -0.75 4.63 4.25 1dwiM1 ASP 82 HB2 -0.00 0.23 0.15 -0.04 2.71 3.05 1dwiM1 ASP 82 HB3 -0.15 -0.05 -0.06 -0.04 2.70 2.39 1dwiM1 ILE 83 H -0.07 0.47 -0.05 -0.55 8.25 8.05 1dwiM1 ILE 83 HA -0.12 0.03 0.42 -0.75 4.18 3.76 1dwiM1 ILE 83 HB -0.07 0.09 0.13 -0.04 1.89 2.00 1dwiM1 ILE 83 HG12 0.03 0.00 -0.07 -0.04 1.49 1.42 1dwiM1 ILE 83 HG13 0.10 0.07 0.05 -0.04 1.21 1.38 1dwiM1 ILE 83 HG23 -0.01 0.02 -0.16 -0.04 0.93 0.73 1dwiM1 ILE 83 HD13 0.25 -0.00 -0.10 -0.04 0.88 0.99 1dwiM1 ASP 84 H -0.12 0.47 -0.28 -0.55 8.40 7.93 1dwiM1 ASP 84 HA -0.08 0.03 0.42 -0.75 4.63 4.25 1dwiM1 ASP 84 HB2 -0.10 0.09 0.17 -0.04 2.71 2.83 1dwiM1 ASP 84 HB3 -0.08 -0.05 0.05 -0.04 2.70 2.57 1dwiM1 VAL 85 H -0.10 0.43 -0.20 -0.55 8.24 7.82 1dwiM1 VAL 85 HA -0.06 0.01 0.51 -0.75 4.13 3.83 1dwiM1 VAL 85 HB -0.11 0.12 0.13 -0.04 2.12 2.23 1dwiM1 VAL 85 HG13 -0.05 -0.01 -0.18 -0.04 0.97 0.69 1dwiM1 VAL 85 HG23 -0.07 0.03 0.05 -0.04 0.95 0.92 1dwiM1 LEU 86 H -0.13 0.46 -0.12 -0.55 8.37 8.03 1dwiM1 LEU 86 HA -0.06 -0.04 0.42 -0.75 4.35 3.92 1dwiM1 LEU 86 HB2 -0.12 0.14 0.14 -0.04 1.64 1.75 1dwiM1 LEU 86 HB3 -0.07 0.07 -0.06 -0.04 1.64 1.55 1dwiM1 LEU 86 HG -0.27 -0.03 0.01 -0.04 1.64 1.31 1dwiM1 LEU 86 HD13 -0.69 -0.02 -0.17 -0.04 0.93 0.01 1dwiM1 LEU 86 HD23 -0.08 -0.01 -0.01 -0.04 0.89 0.75 1dwiM1 ASP 87 H -0.06 0.57 -0.13 -0.55 8.40 8.23 1dwiM1 ASP 87 HA -0.03 0.15 0.50 -0.75 4.63 4.49 1dwiM1 ASP 87 HB2 -0.04 0.05 0.10 -0.04 2.71 2.78 1dwiM1 ASP 87 HB3 -0.05 0.03 0.19 -0.04 2.70 2.83 1dwiM1 GLU 88 H -0.05 0.54 -0.10 -0.55 8.60 8.44 1dwiM1 GLU 88 HA -0.04 -0.00 0.42 -0.75 4.29 3.91 1dwiM1 GLU 88 HB2 -0.05 0.00 0.21 -0.04 2.09 2.21 1dwiM1 GLU 88 HB3 -0.04 0.00 0.20 -0.04 1.99 2.11 1dwiM1 GLU 88 HG2 -0.03 0.01 -0.05 -0.04 2.34 2.23 1dwiM1 GLU 88 HG3 -0.04 -0.02 0.09 -0.04 2.34 2.33 1dwiM1 LEU 89 H -0.05 0.46 -0.23 -0.55 8.37 8.01 1dwiM1 LEU 89 HA -0.07 -0.01 0.49 -0.75 4.35 4.00 1dwiM1 LEU 89 HB2 -0.04 0.08 0.12 -0.04 1.64 1.76 1dwiM1 LEU 89 HB3 -0.12 -0.03 -0.03 -0.04 1.64 1.42 1dwiM1 LEU 89 HG -0.01 0.11 0.02 -0.04 1.64 1.72 1dwiM1 LEU 89 HD13 0.09 -0.04 -0.08 -0.04 0.93 0.85 1dwiM1 LEU 89 HD23 0.04 -0.04 -0.01 -0.04 0.89 0.83 1dwiM1 ASN 90 H -0.05 0.41 -0.48 -0.55 8.53 7.86 1dwiM1 ASN 90 HA -0.04 0.07 0.33 -0.75 4.76 4.37 1dwiM1 ASN 90 HB2 -0.06 -0.03 -0.12 -0.04 2.88 2.62 1dwiM1 ASN 90 HB3 -0.08 0.06 0.26 -0.04 2.79 2.99 1dwiM1 ASN 90 HD21 -0.03 -0.08 0.04 -0.04 7.03 6.92 1dwiM1 ASN 90 HD22 -0.06 0.00 0.02 -0.04 7.74 7.66 1dwiM1 ALA 91 H -0.04 0.35 -0.10 -0.55 8.40 8.06 1dwiM1 ALA 91 HA -0.01 0.07 0.44 -0.75 4.34 4.09 1dwiM1 ALA 91 HB3 0.02 -0.05 0.14 -0.04 1.41 1.48 1dwiM1 THR 92 H 0.07 0.44 0.46 -0.55 8.28 8.70 1dwiM1 THR 92 HA 0.04 0.36 1.04 -0.75 4.39 5.07 1dwiM1 THR 92 HB 0.04 -0.04 0.23 -0.04 4.32 4.51 1dwiM1 THR 92 HG23 0.04 0.07 0.03 -0.04 1.22 1.33 1dwiM1 GLY 93 H 0.08 0.31 0.14 -0.55 8.43 8.42 1dwiM1 GLY 93 HA2 0.17 0.33 0.70 -0.51 4.01 4.70 1dwiM1 GLY 93 HA3 0.06 -0.05 0.14 -0.51 4.01 3.65 1dwiM1 TYR 94 H 0.28 0.65 0.12 -0.55 8.29 8.79 1dwiM1 TYR 94 HA 0.05 0.21 0.74 -0.75 4.56 4.81 1dwiM1 TYR 94 HB2 0.08 0.07 -0.22 -0.04 3.06 2.95 1dwiM1 TYR 94 HB3 0.15 -0.00 -0.12 -0.04 2.98 2.97 1dwiM1 TYR 94 HD2 0.10 0.10 -0.16 -0.04 7.15 7.15 1dwiM1 TYR 94 HE2 -0.06 -0.09 -0.23 -0.04 6.85 6.43 1dwiM1 ARG 95 H -0.00 0.56 0.33 -0.55 8.46 8.80 1dwiM1 ARG 95 HA -0.14 0.46 1.13 -0.75 4.34 5.04 1dwiM1 ARG 95 HB2 -0.10 0.02 0.02 -0.04 1.90 1.80 1dwiM1 ARG 95 HB3 -0.04 -0.05 0.18 -0.04 1.80 1.84 1dwiM1 ARG 95 HG2 0.02 -0.12 -0.20 -0.04 1.67 1.33 1dwiM1 ARG 95 HG3 -0.05 0.15 -0.02 -0.04 1.67 1.71 1dwiM1 ARG 95 HD2 -0.00 0.01 -0.12 -0.04 3.22 3.07 1dwiM1 ARG 95 HD3 0.04 0.20 -0.02 -0.04 3.22 3.40 1dwiM1 PHE 96 H -0.53 0.56 0.34 -0.55 8.34 8.16 1dwiM1 PHE 96 HA -0.23 0.09 0.57 -0.75 4.62 4.30 1dwiM1 PHE 96 HB2 -0.09 -0.11 0.01 -0.04 3.15 2.92 1dwiM1 PHE 96 HB3 -0.80 0.07 -0.20 -0.04 3.06 2.08 1dwiM1 PHE 96 HD2 -0.17 0.09 -0.30 -0.04 7.28 6.86 1dwiM1 PHE 96 HE2 -0.12 0.02 -0.19 -0.04 7.38 7.06 1dwiM1 PHE 96 HZ -0.18 0.05 -0.12 -0.04 7.32 7.02 1dwiM1 SER 97 H 0.20 0.03 0.07 -0.55 8.46 8.22 1dwiM1 SER 97 HA -0.04 0.32 1.14 -0.75 4.49 5.15 1dwiM1 SER 97 HB2 0.15 0.20 0.04 -0.04 3.95 4.29 1dwiM1 SER 97 HB3 0.08 0.03 0.00 -0.04 3.93 4.01 1dwiM1 ILE 98 H 0.06 0.66 0.23 -0.55 8.25 8.66 1dwiM1 ILE 98 HA -0.29 0.10 0.80 -0.75 4.18 4.03 1dwiM1 ILE 98 HB 0.07 0.08 0.14 -0.04 1.89 2.14 1dwiM1 ILE 98 HG12 -1.00 0.02 -0.06 -0.04 1.49 0.41 1dwiM1 ILE 98 HG13 -0.23 -0.03 -0.17 -0.04 1.21 0.74 1dwiM1 ILE 98 HG23 -0.07 -0.02 -0.24 -0.04 0.93 0.57 1dwiM1 ILE 98 HD13 -0.08 0.02 -0.08 -0.04 0.88 0.70 1dwiM1 ALA 99 H 0.41 0.25 0.10 -0.55 8.40 8.61 1dwiM1 ALA 99 HA 0.32 0.02 0.72 -0.75 4.34 4.64 1dwiM1 ALA 99 HB3 0.30 0.02 0.05 -0.04 1.41 1.74 1dwiM1 TRP 100 H 0.44 0.25 0.20 -0.55 7.97 8.31 1dwiM1 TRP 100 HA -0.16 0.11 0.41 -0.75 4.62 4.22 1dwiM1 TRP 100 HB2 -0.39 0.12 0.18 -0.04 3.23 3.10 1dwiM1 TRP 100 HB3 -0.03 -0.01 0.18 -0.04 3.23 3.33 1dwiM1 TRP 100 HD1 -0.16 -0.10 0.03 -0.04 7.22 6.95 1dwiM1 TRP 100 HE1 -0.04 0.40 0.15 -0.04 10.20 10.67 1dwiM1 TRP 100 HE3 0.15 -0.04 -0.01 -0.04 7.59 7.66 1dwiM1 TRP 100 HZ2 0.05 0.06 -0.18 -0.04 7.44 7.33 1dwiM1 TRP 100 HZ3 -0.16 -0.02 -0.04 -0.04 7.13 6.87 1dwiM1 TRP 100 HH2 0.04 -0.01 -0.15 -0.04 7.19 7.03 1dwiM1 SER 101 H 0.24 0.08 -0.24 -0.55 8.46 8.00 1dwiM1 SER 101 HA 0.10 0.18 0.22 -0.75 4.49 4.23 1dwiM1 SER 101 HB2 0.14 0.00 -0.17 -0.04 3.95 3.88 1dwiM1 SER 101 HB3 0.07 0.00 -0.26 -0.04 3.93 3.69 1dwiM1 ARG 102 H 0.27 0.33 -0.47 -0.55 8.46 8.04 1dwiM1 ARG 102 HA 0.12 0.13 0.84 -0.75 4.34 4.68 1dwiM1 ARG 102 HB2 0.20 -0.08 0.04 -0.04 1.90 2.01 1dwiM1 ARG 102 HB3 0.43 0.07 0.10 -0.04 1.80 2.36 1dwiM1 ARG 102 HG2 0.21 -0.08 -0.06 -0.04 1.67 1.71 1dwiM1 ARG 102 HG3 0.05 0.17 0.06 -0.04 1.67 1.91 1dwiM1 ARG 102 HD2 -0.02 -0.04 0.01 -0.04 3.22 3.13 1dwiM1 ARG 102 HD3 -0.20 0.04 0.02 -0.04 3.22 3.04 1dwiM1 ILE 103 H 0.33 0.27 -0.06 -0.55 8.25 8.24 1dwiM1 ILE 103 HA 0.23 0.16 0.98 -0.75 4.18 4.81 1dwiM1 ILE 103 HB 0.25 -0.01 0.08 -0.04 1.89 2.17 1dwiM1 ILE 103 HG12 0.42 0.01 0.01 -0.04 1.49 1.89 1dwiM1 ILE 103 HG13 0.34 0.05 -0.10 -0.04 1.21 1.45 1dwiM1 ILE 103 HG23 0.48 -0.02 -0.29 -0.04 0.93 1.06 1dwiM1 ILE 103 HD13 0.26 0.01 -0.08 -0.04 0.88 1.02 1dwiM1 ILE 104 H 0.32 0.67 0.02 -0.55 8.25 8.71 1dwiM1 ILE 104 HA 0.18 0.26 0.80 -0.75 4.18 4.66 1dwiM1 ILE 104 HB 0.51 -0.02 0.11 -0.04 1.89 2.44 1dwiM1 ILE 104 HG12 0.17 0.12 -0.11 -0.04 1.49 1.63 1dwiM1 ILE 104 HG13 0.27 -0.11 -0.34 -0.04 1.21 0.99 1dwiM1 ILE 104 HG23 0.20 0.01 -0.43 -0.04 0.93 0.67 1dwiM1 ILE 104 HD13 0.19 -0.01 -0.06 -0.04 0.88 0.95 1dwiM1 PRO 105 HA 0.06 0.01 0.51 -0.51 4.44 4.51 1dwiM1 PRO 105 HB2 0.04 0.05 -0.03 -0.04 2.28 2.29 1dwiM1 PRO 105 HB3 0.03 -0.07 0.14 -0.04 2.02 2.08 1dwiM1 PRO 105 HG2 0.06 0.04 -0.05 -0.04 2.03 2.04 1dwiM1 PRO 105 HG3 0.08 0.18 0.03 -0.04 2.03 2.28 1dwiM1 PRO 105 HD2 0.10 0.16 -0.13 -0.04 3.68 3.77 1dwiM1 PRO 105 HD3 0.14 0.10 -0.69 -0.04 3.65 3.15 1dwiM1 ARG 106 H 0.07 0.23 -0.44 -0.55 8.46 7.77 1dwiM1 ARG 106 HA -0.01 0.10 0.63 -0.75 4.34 4.30 1dwiM1 ARG 106 HB2 0.05 0.12 -0.07 -0.04 1.90 1.95 1dwiM1 ARG 106 HB3 0.02 -0.03 0.14 -0.04 1.80 1.89 1dwiM1 ARG 106 HG2 0.01 -0.02 -0.05 -0.04 1.67 1.57 1dwiM1 ARG 106 HG3 0.03 -0.06 -0.13 -0.04 1.67 1.46 1dwiM1 ARG 106 HD2 0.02 -0.02 -0.02 -0.04 3.22 3.16 1dwiM1 ARG 106 HD3 0.03 0.24 -0.03 -0.04 3.22 3.43 1dwiM1 GLY 107 H 0.05 0.61 -0.51 -0.55 8.43 8.04 1dwiM1 GLY 107 HA2 -0.18 0.02 0.29 -0.51 4.01 3.63 1dwiM1 GLY 107 HA3 -0.11 -0.02 0.28 -0.51 4.01 3.66 1dwiM1 LYS 108 H 0.08 0.54 -0.02 -0.55 8.42 8.47 1dwiM1 LYS 108 HA 0.21 0.08 0.63 -0.75 4.32 4.49 1dwiM1 LYS 108 HB2 0.11 0.03 0.07 -0.04 1.87 2.04 1dwiM1 LYS 108 HB3 0.08 0.04 0.10 -0.04 1.79 1.97 1dwiM1 LYS 108 HG2 0.08 -0.23 -0.21 -0.04 1.46 1.06 1dwiM1 LYS 108 HG3 0.10 0.02 0.01 -0.04 1.46 1.55 1dwiM1 LYS 108 HD2 0.07 0.03 -0.03 -0.04 1.69 1.73 1dwiM1 LYS 108 HD3 0.05 0.04 -0.05 -0.04 1.68 1.68 1dwiM1 LYS 108 HE2 0.04 0.05 -0.04 -0.04 2.99 3.00 1dwiM1 LYS 108 HE3 0.04 0.02 -0.06 -0.04 2.99 2.95 1dwiM1 ARG 109 H 0.15 0.19 0.13 -0.55 8.46 8.37 1dwiM1 ARG 109 HA 0.12 0.13 0.09 -0.75 4.34 3.92 1dwiM1 ARG 109 HB2 0.08 0.04 -0.02 -0.04 1.90 1.96 1dwiM1 ARG 109 HB3 0.05 -0.02 0.05 -0.04 1.80 1.84 1dwiM1 ARG 109 HG2 0.04 -0.01 -0.18 -0.04 1.67 1.48 1dwiM1 ARG 109 HG3 0.05 -0.00 -0.04 -0.04 1.67 1.65 1dwiM1 ARG 109 HD2 -0.02 0.19 -0.03 -0.04 3.22 3.31 1dwiM1 ARG 109 HD3 -0.00 -0.03 -0.03 -0.04 3.22 3.11 1dwiM1 SER 110 H 0.06 0.04 -0.26 -0.55 8.46 7.77 1dwiM1 SER 110 HA 0.04 0.10 0.34 -0.75 4.49 4.22 1dwiM1 SER 110 HB2 0.03 0.05 0.06 -0.04 3.95 4.04 1dwiM1 SER 110 HB3 0.03 -0.01 0.05 -0.04 3.93 3.96 1dwiM1 ARG 111 H 0.06 0.46 -0.41 -0.55 8.46 8.02 1dwiM1 ARG 111 HA 0.04 0.09 0.68 -0.75 4.34 4.39 1dwiM1 ARG 111 HB2 0.06 0.13 -0.00 -0.04 1.90 2.04 1dwiM1 ARG 111 HB3 0.04 -0.06 0.11 -0.04 1.80 1.85 1dwiM1 ARG 111 HG2 0.03 0.01 -0.00 -0.04 1.67 1.66 1dwiM1 ARG 111 HG3 0.05 -0.11 -0.06 -0.04 1.67 1.50 1dwiM1 ARG 111 HD2 0.04 0.05 0.07 -0.04 3.22 3.34 1dwiM1 ARG 111 HD3 0.02 -0.02 0.06 -0.04 3.22 3.24 1dwiM1 GLY 112 H 0.06 0.50 -0.30 -0.55 8.43 8.14 1dwiM1 GLY 112 HA2 0.05 -0.01 0.28 -0.51 4.01 3.81 1dwiM1 GLY 112 HA3 0.05 0.18 0.80 -0.51 4.01 4.53 1dwiM1 VAL 113 H 0.06 0.13 0.19 -0.55 8.24 8.07 1dwiM1 VAL 113 HA 0.10 0.28 1.10 -0.75 4.13 4.85 1dwiM1 VAL 113 HB 0.09 0.08 0.11 -0.04 2.12 2.37 1dwiM1 VAL 113 HG13 0.06 0.00 -0.08 -0.04 0.97 0.91 1dwiM1 VAL 113 HG23 0.06 -0.03 -0.12 -0.04 0.95 0.82 1dwiM1 ASN 114 H 0.12 0.73 0.25 -0.55 8.53 9.09 1dwiM1 ASN 114 HA 0.08 0.11 0.85 -0.75 4.76 5.03 1dwiM1 ASN 114 HB2 0.09 0.00 0.01 -0.04 2.88 2.94 1dwiM1 ASN 114 HB3 0.13 0.20 0.34 -0.04 2.79 3.42 1dwiM1 ASN 114 HD21 0.05 0.06 0.14 -0.04 7.03 7.24 1dwiM1 ASN 114 HD22 0.08 0.37 0.27 -0.04 7.74 8.42 1dwiM1 GLU 115 H 0.07 0.29 0.15 -0.55 8.60 8.56 1dwiM1 GLU 115 HA 0.10 0.09 0.33 -0.75 4.29 4.05 1dwiM1 GLU 115 HB2 0.06 0.06 0.13 -0.04 2.09 2.31 1dwiM1 GLU 115 HB3 0.07 0.01 0.07 -0.04 1.99 2.09 1dwiM1 GLU 115 HG2 0.06 0.04 0.01 -0.04 2.34 2.42 1dwiM1 GLU 115 HG3 0.09 -0.03 0.00 -0.04 2.34 2.36 1dwiM1 LYS 116 H 0.08 0.10 -0.11 -0.55 8.42 7.95 1dwiM1 LYS 116 HA 0.10 0.10 0.56 -0.75 4.32 4.33 1dwiM1 LYS 116 HB2 0.08 0.01 0.08 -0.04 1.87 2.00 1dwiM1 LYS 116 HB3 0.11 0.05 0.03 -0.04 1.79 1.95 1dwiM1 LYS 116 HG2 0.07 -0.06 0.06 -0.04 1.46 1.48 1dwiM1 LYS 116 HG3 0.07 0.04 0.04 -0.04 1.46 1.56 1dwiM1 LYS 116 HD2 0.08 -0.02 -0.04 -0.04 1.69 1.67 1dwiM1 LYS 116 HD3 0.06 0.03 0.01 -0.04 1.68 1.74 1dwiM1 LYS 116 HE2 0.08 0.03 0.01 -0.04 2.99 3.07 1dwiM1 LYS 116 HE3 0.11 -0.00 0.06 -0.04 2.99 3.12 1dwiM1 GLY 117 H 0.12 0.14 -0.22 -0.55 8.43 7.93 1dwiM1 GLY 117 HA2 0.14 0.04 0.56 -0.51 4.01 4.25 1dwiM1 GLY 117 HA3 0.19 0.28 0.28 -0.51 4.01 4.24 1dwiM1 ILE 118 H 0.19 0.48 -0.02 -0.55 8.25 8.35 1dwiM1 ILE 118 HA 0.44 -0.00 0.54 -0.75 4.18 4.41 1dwiM1 ILE 118 HB 0.13 0.00 0.18 -0.04 1.89 2.16 1dwiM1 ILE 118 HG12 0.16 0.00 0.01 -0.04 1.49 1.61 1dwiM1 ILE 118 HG13 0.19 0.06 0.08 -0.04 1.21 1.49 1dwiM1 ILE 118 HG23 -0.07 -0.00 -0.06 -0.04 0.93 0.76 1dwiM1 ILE 118 HD13 0.05 -0.01 -0.06 -0.04 0.88 0.81 1dwiM1 ASP 119 H 0.16 0.50 -0.17 -0.55 8.40 8.34 1dwiM1 ASP 119 HA 0.25 0.02 0.38 -0.75 4.63 4.52 1dwiM1 ASP 119 HB2 0.10 0.08 0.21 -0.04 2.71 3.07 1dwiM1 ASP 119 HB3 0.07 -0.03 0.05 -0.04 2.70 2.75 1dwiM1 TYR 120 H 0.12 0.42 -0.27 -0.55 8.29 8.01 1dwiM1 TYR 120 HA -0.40 0.02 0.45 -0.75 4.56 3.87 1dwiM1 TYR 120 HB2 -0.11 0.04 0.17 -0.04 3.06 3.12 1dwiM1 TYR 120 HB3 -0.33 0.19 0.21 -0.04 2.98 3.01 1dwiM1 TYR 120 HD2 -1.17 0.01 -0.00 -0.04 7.15 5.95 1dwiM1 TYR 120 HE2 -0.30 0.06 0.04 -0.04 6.85 6.61 1dwiM1 TYR 121 H -0.07 0.42 -0.14 -0.55 8.29 7.95 1dwiM1 TYR 121 HA -0.55 0.01 0.47 -0.75 4.56 3.74 1dwiM1 TYR 121 HB2 -0.45 0.12 0.11 -0.04 3.06 2.80 1dwiM1 TYR 121 HB3 -0.65 -0.02 0.02 -0.04 2.98 2.29 1dwiM1 TYR 121 HD2 0.00 0.07 -0.03 -0.04 7.15 7.16 1dwiM1 TYR 121 HE2 0.27 0.01 -0.01 -0.04 6.85 7.08 1dwiM1 HIS 122 H 0.08 0.56 -0.09 -0.55 8.41 8.42 1dwiM1 HIS 122 HA 0.13 0.04 0.44 -0.75 4.63 4.49 1dwiM1 HIS 122 HB2 0.05 0.06 0.16 -0.04 3.26 3.49 1dwiM1 HIS 122 HB3 0.04 -0.03 -0.05 -0.04 3.20 3.12 1dwiM1 HIS 122 HD2 0.29 -0.03 0.05 -0.04 6.97 7.23 1dwiM1 HIS 122 HE1 -0.01 -0.06 -0.02 -0.04 7.75 7.62 1dwiM1 GLY 123 H -0.24 0.59 -0.18 -0.55 8.43 8.05 1dwiM1 GLY 123 HA2 -0.18 0.03 0.44 -0.51 4.01 3.79 1dwiM1 GLY 123 HA3 -0.56 0.05 0.31 -0.51 4.01 3.30 1dwiM1 LEU 124 H -0.80 0.48 -0.09 -0.55 8.37 7.41 1dwiM1 LEU 124 HA -0.35 0.00 0.43 -0.75 4.35 3.68 1dwiM1 LEU 124 HB2 -0.89 -0.00 0.09 -0.04 1.64 0.80 1dwiM1 LEU 124 HB3 -0.59 0.08 0.16 -0.04 1.64 1.25 1dwiM1 LEU 124 HG -0.45 0.05 -0.32 -0.04 1.64 0.88 1dwiM1 LEU 124 HD13 -0.00 -0.02 -0.04 -0.04 0.93 0.83 1dwiM1 LEU 124 HD23 -0.87 -0.02 -0.09 -0.04 0.89 -0.14 1dwiM1 ILE 125 H -0.17 0.68 -0.11 -0.55 8.25 8.10 1dwiM1 ILE 125 HA 0.04 0.01 0.34 -0.75 4.18 3.81 1dwiM1 ILE 125 HB 0.07 0.09 0.15 -0.04 1.89 2.16 1dwiM1 ILE 125 HG12 0.15 -0.03 -0.03 -0.04 1.49 1.54 1dwiM1 ILE 125 HG13 0.02 -0.04 0.03 -0.04 1.21 1.18 1dwiM1 ILE 125 HG23 0.08 0.01 -0.14 -0.04 0.93 0.83 1dwiM1 ILE 125 HD13 -0.12 -0.02 -0.10 -0.04 0.88 0.60 1dwiM1 SER 126 H -0.01 0.63 -0.11 -0.55 8.46 8.42 1dwiM1 SER 126 HA 0.04 0.04 0.39 -0.75 4.49 4.21 1dwiM1 SER 126 HB2 0.02 0.00 0.13 -0.04 3.95 4.06 1dwiM1 SER 126 HB3 0.00 0.05 0.14 -0.04 3.93 4.09 1dwiM1 GLY 127 H 0.03 0.52 -0.27 -0.55 8.43 8.16 1dwiM1 GLY 127 HA2 0.10 -0.00 0.40 -0.51 4.01 4.00 1dwiM1 GLY 127 HA3 0.21 0.00 0.29 -0.51 4.01 4.01 1dwiM1 LEU 128 H 0.06 0.57 -0.11 -0.55 8.37 8.35 1dwiM1 LEU 128 HA 0.05 -0.00 0.48 -0.75 4.35 4.12 1dwiM1 LEU 128 HB2 0.09 0.11 0.13 -0.04 1.64 1.93 1dwiM1 LEU 128 HB3 0.11 0.07 -0.14 -0.04 1.64 1.64 1dwiM1 LEU 128 HG 0.07 0.13 0.00 -0.04 1.64 1.80 1dwiM1 LEU 128 HD13 0.24 -0.04 -0.18 -0.04 0.93 0.90 1dwiM1 LEU 128 HD23 0.08 -0.03 -0.13 -0.04 0.89 0.77 1dwiM1 ILE 129 H 0.05 0.60 -0.04 -0.55 8.25 8.30 1dwiM1 ILE 129 HA 0.03 0.12 0.46 -0.75 4.18 4.04 1dwiM1 ILE 129 HB 0.04 0.03 0.16 -0.04 1.89 2.07 1dwiM1 ILE 129 HG12 0.02 0.03 0.07 -0.04 1.49 1.58 1dwiM1 ILE 129 HG13 0.04 -0.01 0.10 -0.04 1.21 1.30 1dwiM1 ILE 129 HG23 0.02 -0.02 -0.08 -0.04 0.93 0.81 1dwiM1 ILE 129 HD13 0.03 -0.00 -0.01 -0.04 0.88 0.86 1dwiM1 LYS 130 H 0.04 0.50 -0.22 -0.55 8.42 8.18 1dwiM1 LYS 130 HA 0.02 -0.01 0.47 -0.75 4.32 4.05 1dwiM1 LYS 130 HB2 0.04 0.11 0.18 -0.04 1.87 2.17 1dwiM1 LYS 130 HB3 0.03 -0.09 0.05 -0.04 1.79 1.74 1dwiM1 LYS 130 HG2 0.02 -0.06 0.05 -0.04 1.46 1.43 1dwiM1 LYS 130 HG3 0.03 0.04 0.06 -0.04 1.46 1.55 1dwiM1 LYS 130 HD2 0.04 0.03 -0.12 -0.04 1.69 1.60 1dwiM1 LYS 130 HD3 0.04 -0.07 -0.02 -0.04 1.68 1.59 1dwiM1 LYS 130 HE2 0.02 -0.01 -0.00 -0.04 2.99 2.96 1dwiM1 LYS 130 HE3 0.03 -0.01 -0.01 -0.04 2.99 2.96 1dwiM1 LYS 131 H 0.03 0.36 -0.51 -0.55 8.42 7.75 1dwiM1 LYS 131 HA 0.01 0.09 0.75 -0.75 4.32 4.41 1dwiM1 LYS 131 HB2 0.01 0.07 0.10 -0.04 1.87 2.01 1dwiM1 LYS 131 HB3 -0.00 -0.03 0.14 -0.04 1.79 1.86 1dwiM1 LYS 131 HG2 0.01 0.01 -0.13 -0.04 1.46 1.31 1dwiM1 LYS 131 HG3 -0.01 -0.10 -0.03 -0.04 1.46 1.28 1dwiM1 LYS 131 HD2 -0.01 -0.02 0.03 -0.04 1.69 1.65 1dwiM1 LYS 131 HD3 -0.00 0.14 -0.01 -0.04 1.68 1.77 1dwiM1 LYS 131 HE2 -0.01 -0.02 -0.07 -0.04 2.99 2.85 1dwiM1 LYS 131 HE3 -0.02 -0.07 -0.03 -0.04 2.99 2.82 1dwiM1 GLY 132 H 0.02 0.49 -0.31 -0.55 8.43 8.08 1dwiM1 GLY 132 HA2 0.02 -0.01 0.28 -0.51 4.01 3.79 1dwiM1 GLY 132 HA3 0.02 0.02 0.42 -0.51 4.01 3.95 1dwiM1 ILE 133 H 0.04 0.48 -0.09 -0.55 8.25 8.13 1dwiM1 ILE 133 HA 0.05 0.19 0.51 -0.75 4.18 4.18 1dwiM1 ILE 133 HB 0.07 -0.07 -0.10 -0.04 1.89 1.74 1dwiM1 ILE 133 HG12 0.03 0.16 -0.30 -0.04 1.49 1.34 1dwiM1 ILE 133 HG13 0.02 0.15 -0.48 -0.04 1.21 0.87 1dwiM1 ILE 133 HG23 0.13 -0.05 -0.55 -0.04 0.93 0.41 1dwiM1 ILE 133 HD13 -0.01 -0.06 -0.13 -0.04 0.88 0.65 1dwiM1 THR 134 H 0.07 0.74 0.10 -0.55 8.28 8.64 1dwiM1 THR 134 HA 0.00 0.15 0.58 -0.75 4.39 4.36 1dwiM1 THR 134 HB 0.08 -0.04 0.27 -0.04 4.32 4.59 1dwiM1 THR 134 HG23 -0.29 -0.01 -0.15 -0.04 1.22 0.73 1dwiM1 PRO 135 HA 0.12 0.18 0.61 -0.51 4.44 4.84 1dwiM1 PRO 135 HB2 -0.22 -0.07 -0.04 -0.04 2.28 1.91 1dwiM1 PRO 135 HB3 0.15 -0.05 -0.01 -0.04 2.02 2.06 1dwiM1 PRO 135 HG2 -0.03 0.04 0.04 -0.04 2.03 2.04 1dwiM1 PRO 135 HG3 0.09 0.03 0.02 -0.04 2.03 2.13 1dwiM1 PRO 135 HD2 -0.06 0.10 0.28 -0.04 3.68 3.96 1dwiM1 PRO 135 HD3 0.02 0.48 0.33 -0.04 3.65 4.44 1dwiM1 PHE 136 H 0.03 0.65 0.33 -0.55 8.34 8.80 1dwiM1 PHE 136 HA -0.23 0.26 0.77 -0.75 4.62 4.67 1dwiM1 PHE 136 HB2 -0.20 -0.09 0.02 -0.04 3.15 2.84 1dwiM1 PHE 136 HB3 -0.17 -0.08 -0.13 -0.04 3.06 2.65 1dwiM1 PHE 136 HD2 -0.31 -0.01 -0.27 -0.04 7.28 6.66 1dwiM1 PHE 136 HE2 -1.26 0.04 -0.18 -0.04 7.38 5.94 1dwiM1 PHE 136 HZ -1.11 0.06 -0.17 -0.04 7.32 6.06 1dwiM1 VAL 137 H -0.39 0.69 0.24 -0.55 8.24 8.24 1dwiM1 VAL 137 HA -0.68 0.29 0.98 -0.75 4.13 3.96 1dwiM1 VAL 137 HB -0.94 0.04 0.09 -0.04 2.12 1.27 1dwiM1 VAL 137 HG13 -0.40 -0.03 -0.25 -0.04 0.97 0.25 1dwiM1 VAL 137 HG23 -0.95 0.02 -0.22 -0.04 0.95 -0.25 1dwiM1 THR 138 H -0.17 0.66 0.39 -0.55 8.28 8.61 1dwiM1 THR 138 HA 0.13 0.20 0.76 -0.75 4.39 4.72 1dwiM1 THR 138 HB 0.10 -0.16 0.06 -0.04 4.32 4.28 1dwiM1 THR 138 HG23 0.12 -0.07 -0.37 -0.04 1.22 0.86 1dwiM1 LEU 139 H 0.24 0.86 0.40 -0.55 8.37 9.32 1dwiM1 LEU 139 HA 0.19 0.01 0.59 -0.75 4.35 4.39 1dwiM1 LEU 139 HB2 0.32 0.20 0.35 -0.04 1.64 2.46 1dwiM1 LEU 139 HB3 0.14 -0.10 0.06 -0.04 1.64 1.70 1dwiM1 LEU 139 HG 0.16 0.13 0.09 -0.04 1.64 1.98 1dwiM1 LEU 139 HD13 -0.39 -0.01 -0.01 -0.04 0.93 0.48 1dwiM1 LEU 139 HD23 -0.60 -0.02 -0.01 -0.04 0.89 0.22 1dwiM1 PHE 140 H 0.37 0.38 -0.01 -0.55 8.34 8.53 1dwiM1 PHE 140 HA 0.39 0.10 0.99 -0.75 4.62 5.35 1dwiM1 PHE 140 HB2 0.51 0.09 -0.13 -0.04 3.15 3.58 1dwiM1 PHE 140 HB3 0.19 0.13 0.25 -0.04 3.06 3.59 1dwiM1 PHE 140 HD2 0.30 0.08 -0.00 -0.04 7.28 7.62 1dwiM1 PHE 140 HE2 0.07 0.03 -0.23 -0.04 7.38 7.21 1dwiM1 PHE 140 HZ 0.22 0.08 -0.12 -0.04 7.32 7.46 1dwiM1 HIS 141 H 0.08 0.23 -0.01 -0.55 8.41 8.16 1dwiM1 HIS 141 HA -0.46 0.22 0.82 -0.75 4.63 4.46 1dwiM1 HIS 141 HB2 -0.09 0.09 -0.03 -0.04 3.26 3.19 1dwiM1 HIS 141 HB3 -0.08 -0.17 0.18 -0.04 3.20 3.09 1dwiM1 HIS 141 HD2 -0.79 -0.03 -0.03 -0.04 6.97 6.07 1dwiM1 HIS 141 HE1 -0.29 0.11 -0.14 -0.04 7.75 7.38 1dwiM1 TRP 142 H -1.29 0.24 -0.41 -0.55 7.97 5.95 1dwiM1 TRP 142 HA -0.68 0.11 0.26 -0.75 4.62 3.56 1dwiM1 TRP 142 HB2 -0.28 0.14 -0.01 -0.04 3.23 3.04 1dwiM1 TRP 142 HB3 0.10 0.02 0.05 -0.04 3.23 3.36 1dwiM1 TRP 142 HD1 -0.39 -0.01 -0.02 -0.04 7.22 6.76 1dwiM1 TRP 142 HE1 -0.31 0.55 -0.01 -0.04 10.20 10.38 1dwiM1 TRP 142 HE3 -1.67 -0.05 -0.08 -0.04 7.59 5.75 1dwiM1 TRP 142 HZ2 -0.27 0.02 -0.09 -0.04 7.44 7.05 1dwiM1 TRP 142 HZ3 -0.93 0.01 -0.08 -0.04 7.13 6.08 1dwiM1 TRP 142 HH2 -0.26 0.04 -0.10 -0.04 7.19 6.84 1dwiM1 ASP 143 H -0.05 0.07 -0.54 -0.55 8.40 7.34 1dwiM1 ASP 143 HA 0.34 0.02 0.53 -0.75 4.63 4.77 1dwiM1 ASP 143 HB2 0.28 -0.01 0.08 -0.04 2.71 3.01 1dwiM1 ASP 143 HB3 0.29 0.05 0.03 -0.04 2.70 3.03 1dwiM1 LEU 144 H 0.35 0.44 -0.01 -0.55 8.37 8.60 1dwiM1 LEU 144 HA 0.13 0.15 0.35 -0.75 4.35 4.23 1dwiM1 LEU 144 HB2 0.47 0.04 -0.00 -0.04 1.64 2.10 1dwiM1 LEU 144 HB3 0.11 -0.06 0.06 -0.04 1.64 1.71 1dwiM1 LEU 144 HG -0.33 0.15 -0.19 -0.04 1.64 1.24 1dwiM1 LEU 144 HD13 -0.46 0.02 -0.03 -0.04 0.93 0.42 1dwiM1 LEU 144 HD23 -0.01 -0.01 -0.10 -0.04 0.89 0.72 1dwiM1 PRO 145 HA -0.16 0.15 0.54 -0.51 4.44 4.46 1dwiM1 PRO 145 HB2 -0.49 -0.12 0.05 -0.04 2.28 1.68 1dwiM1 PRO 145 HB3 -0.27 0.23 0.08 -0.04 2.02 2.02 1dwiM1 PRO 145 HG2 -1.57 0.14 0.04 -0.04 2.03 0.60 1dwiM1 PRO 145 HG3 -0.47 0.01 -0.08 -0.04 2.03 1.45 1dwiM1 PRO 145 HD2 -1.59 0.10 0.19 -0.04 3.68 2.34 1dwiM1 PRO 145 HD3 -0.61 0.15 0.25 -0.04 3.65 3.40 1dwiM1 GLN 146 H -0.10 0.75 0.44 -0.55 8.47 9.01 1dwiM1 GLN 146 HA -0.12 0.02 0.27 -0.75 4.36 3.78 1dwiM1 GLN 146 HB2 -0.08 -0.07 -0.26 -0.04 2.15 1.70 1dwiM1 GLN 146 HB3 -0.09 0.08 0.00 -0.04 2.02 1.97 1dwiM1 GLN 146 HG2 -0.09 0.06 -0.10 -0.04 2.40 2.23 1dwiM1 GLN 146 HG3 -0.11 0.01 -0.20 -0.04 2.39 2.05 1dwiM1 GLN 146 HE21 -0.13 0.07 -0.05 -0.04 6.97 6.82 1dwiM1 GLN 146 HE22 -0.13 0.01 -0.06 -0.04 7.69 7.47 1dwiM1 THR 147 H -0.14 0.18 -0.16 -0.55 8.28 7.62 1dwiM1 THR 147 HA -0.12 0.10 0.40 -0.75 4.39 4.02 1dwiM1 THR 147 HB -0.09 0.04 0.09 -0.04 4.32 4.31 1dwiM1 THR 147 HG23 -0.14 0.01 -0.21 -0.04 1.22 0.84 1dwiM1 LEU 148 H -0.29 0.30 -0.39 -0.55 8.37 7.44 1dwiM1 LEU 148 HA -0.55 0.10 0.49 -0.75 4.35 3.63 1dwiM1 LEU 148 HB2 -0.43 0.07 -0.00 -0.04 1.64 1.24 1dwiM1 LEU 148 HB3 -0.55 -0.02 -0.03 -0.04 1.64 0.99 1dwiM1 LEU 148 HG -0.36 -0.04 -0.05 -0.04 1.64 1.14 1dwiM1 LEU 148 HD13 -0.50 0.02 -0.07 -0.04 0.93 0.34 1dwiM1 LEU 148 HD23 -0.07 0.00 -0.13 -0.04 0.89 0.65 1dwiM1 GLN 149 H -0.24 0.33 -0.13 -0.55 8.47 7.89 1dwiM1 GLN 149 HA -0.14 -0.10 0.61 -0.75 4.36 3.97 1dwiM1 GLN 149 HB2 -0.10 -0.07 0.05 -0.04 2.15 1.99 1dwiM1 GLN 149 HB3 -0.11 0.14 0.05 -0.04 2.02 2.06 1dwiM1 GLN 149 HG2 -0.04 0.03 -0.03 -0.04 2.40 2.32 1dwiM1 GLN 149 HG3 0.01 0.06 -0.05 -0.04 2.39 2.37 1dwiM1 GLN 149 HE21 0.25 0.09 -0.12 -0.04 6.97 7.14 1dwiM1 GLN 149 HE22 0.12 0.06 -0.04 -0.04 7.69 7.80 1dwiM1 ASP 150 H -0.17 0.50 -0.18 -0.55 8.40 8.00 1dwiM1 ASP 150 HA -0.08 0.13 0.56 -0.75 4.63 4.48 1dwiM1 ASP 150 HB2 -0.11 -0.00 0.08 -0.04 2.71 2.63 1dwiM1 ASP 150 HB3 -0.08 0.02 -0.01 -0.04 2.70 2.59 1dwiM1 GLU 151 H -0.22 0.47 -0.06 -0.55 8.60 8.25 1dwiM1 GLU 151 HA -0.04 0.09 0.55 -0.75 4.29 4.14 1dwiM1 GLU 151 HB2 -0.32 -0.06 0.17 -0.04 2.09 1.84 1dwiM1 GLU 151 HB3 0.08 -0.03 -0.03 -0.04 1.99 1.96 1dwiM1 GLU 151 HG2 -0.02 -0.00 0.04 -0.04 2.34 2.32 1dwiM1 GLU 151 HG3 -0.10 0.14 0.08 -0.04 2.34 2.42 1dwiM1 TYR 152 H -0.38 0.27 -0.11 -0.55 8.29 7.52 1dwiM1 TYR 152 HA 0.01 0.24 0.74 -0.75 4.56 4.80 1dwiM1 TYR 152 HB2 -0.02 -0.04 0.10 -0.04 3.06 3.07 1dwiM1 TYR 152 HB3 -0.02 0.09 -0.22 -0.04 2.98 2.79 1dwiM1 TYR 152 HD2 -0.04 0.08 -0.21 -0.04 7.15 6.94 1dwiM1 TYR 152 HE2 -0.10 0.01 -0.11 -0.04 6.85 6.61 1dwiM1 GLU 153 H -0.06 0.39 -0.05 -0.55 8.60 8.33 1dwiM1 GLU 153 HA 0.05 0.13 0.41 -0.75 4.29 4.13 1dwiM1 GLU 153 HB2 0.15 0.14 -0.04 -0.04 2.09 2.30 1dwiM1 GLU 153 HB3 0.19 -0.10 0.17 -0.04 1.99 2.20 1dwiM1 GLU 153 HG2 0.09 0.03 -0.17 -0.04 2.34 2.25 1dwiM1 GLU 153 HG3 0.12 -0.02 -0.08 -0.04 2.34 2.32 1dwiM1 GLY 154 H -0.26 0.32 -0.20 -0.55 8.43 7.73 1dwiM1 GLY 154 HA2 -0.10 -0.01 0.09 -0.51 4.01 3.49 1dwiM1 GLY 154 HA3 0.08 -0.05 0.13 -0.51 4.01 3.66 1dwiM1 PHE 155 H 0.38 0.09 0.14 -0.55 8.34 8.39 1dwiM1 PHE 155 HA 0.07 0.09 0.41 -0.75 4.62 4.44 1dwiM1 PHE 155 HB2 0.00 -0.02 0.08 -0.04 3.15 3.17 1dwiM1 PHE 155 HB3 -0.03 0.10 0.09 -0.04 3.06 3.18 1dwiM1 PHE 155 HD2 -0.02 -0.01 -0.10 -0.04 7.28 7.11 1dwiM1 PHE 155 HE2 -0.57 -0.01 -0.06 -0.04 7.38 6.69 1dwiM1 PHE 155 HZ -0.97 0.01 -0.06 -0.04 7.32 6.26 1dwiM1 LEU 156 H 0.21 0.50 -0.30 -0.55 8.37 8.22 1dwiM1 LEU 156 HA 0.06 0.03 0.59 -0.75 4.35 4.27 1dwiM1 LEU 156 HB2 0.19 -0.07 0.11 -0.04 1.64 1.83 1dwiM1 LEU 156 HB3 0.18 0.14 0.03 -0.04 1.64 1.94 1dwiM1 LEU 156 HG 0.10 0.01 -0.01 -0.04 1.64 1.70 1dwiM1 LEU 156 HD13 -0.01 -0.02 0.07 -0.04 0.93 0.94 1dwiM1 LEU 156 HD23 0.15 -0.01 -0.01 -0.04 0.89 0.97 1dwiM1 ASP 157 H 0.12 0.47 -0.33 -0.55 8.40 8.12 1dwiM1 ASP 157 HA 0.03 0.24 0.87 -0.75 4.63 5.01 1dwiM1 ASP 157 HB2 0.13 0.31 -0.03 -0.04 2.71 3.07 1dwiM1 ASP 157 HB3 -0.05 -0.12 -0.01 -0.04 2.70 2.48 1dwiM1 PRO 158 HA -0.62 0.10 0.36 -0.51 4.44 3.77 1dwiM1 PRO 158 HB2 -0.14 0.00 0.04 -0.04 2.28 2.14 1dwiM1 PRO 158 HB3 -0.17 0.08 0.11 -0.04 2.02 1.99 1dwiM1 PRO 158 HG2 -0.11 0.01 0.08 -0.04 2.03 1.97 1dwiM1 PRO 158 HG3 -0.03 0.09 0.09 -0.04 2.03 2.14 1dwiM1 PRO 158 HD2 -0.09 0.10 0.23 -0.04 3.68 3.88 1dwiM1 PRO 158 HD3 -0.02 0.25 0.19 -0.04 3.65 4.02 1dwiM1 GLN 159 H -0.39 0.17 -0.38 -0.55 8.47 7.32 1dwiM1 GLN 159 HA -0.28 0.05 0.39 -0.75 4.36 3.77 1dwiM1 GLN 159 HB2 -1.33 0.06 -0.02 -0.04 2.15 0.82 1dwiM1 GLN 159 HB3 -0.87 -0.03 -0.02 -0.04 2.02 1.06 1dwiM1 GLN 159 HG2 -0.24 -0.00 0.02 -0.04 2.40 2.14 1dwiM1 GLN 159 HG3 -0.27 -0.01 0.00 -0.04 2.39 2.07 1dwiM1 GLN 159 HE21 -0.04 0.08 -0.03 -0.04 6.97 6.94 1dwiM1 GLN 159 HE22 -0.19 -0.01 -0.00 -0.04 7.69 7.45 1dwiM1 ILE 160 H -0.36 0.60 -0.38 -0.55 8.25 7.56 1dwiM1 ILE 160 HA 0.00 -0.05 0.31 -0.75 4.18 3.69 1dwiM1 ILE 160 HB -0.22 0.25 -0.12 -0.04 1.89 1.76 1dwiM1 ILE 160 HG12 -2.39 -0.01 -0.17 -0.04 1.49 -1.12 1dwiM1 ILE 160 HG13 -0.70 -0.04 -0.11 -0.04 1.21 0.32 1dwiM1 ILE 160 HG23 -0.34 0.04 -0.14 -0.04 0.93 0.44 1dwiM1 ILE 160 HD13 -0.22 -0.04 -0.11 -0.04 0.88 0.46 1dwiM1 ILE 161 H -0.15 0.57 -0.30 -0.55 8.25 7.81 1dwiM1 ILE 161 HA 0.06 0.02 0.36 -0.75 4.18 3.87 1dwiM1 ILE 161 HB -0.04 0.09 0.14 -0.04 1.89 2.03 1dwiM1 ILE 161 HG12 0.06 -0.02 -0.08 -0.04 1.49 1.41 1dwiM1 ILE 161 HG13 -0.08 -0.05 0.05 -0.04 1.21 1.09 1dwiM1 ILE 161 HG23 0.04 0.01 -0.15 -0.04 0.93 0.79 1dwiM1 ILE 161 HD13 0.00 0.02 0.03 -0.04 0.88 0.89 1dwiM1 ASP 162 H -0.04 0.23 -0.09 -0.55 8.40 7.96 1dwiM1 ASP 162 HA 0.01 0.10 0.51 -0.75 4.63 4.50 1dwiM1 ASP 162 HB2 -0.02 0.05 0.12 -0.04 2.71 2.81 1dwiM1 ASP 162 HB3 0.00 -0.01 0.02 -0.04 2.70 2.67 1dwiM1 ASP 163 H 0.07 0.37 -0.21 -0.55 8.40 8.09 1dwiM1 ASP 163 HA 0.17 -0.02 0.48 -0.75 4.63 4.52 1dwiM1 ASP 163 HB2 0.28 0.07 0.09 -0.04 2.71 3.12 1dwiM1 ASP 163 HB3 0.49 -0.00 -0.04 -0.04 2.70 3.10 1dwiM1 PHE 164 H 0.28 0.75 -0.07 -0.55 8.34 8.75 1dwiM1 PHE 164 HA -0.36 -0.02 0.49 -0.75 4.62 3.97 1dwiM1 PHE 164 HB2 0.08 -0.03 0.10 -0.04 3.15 3.25 1dwiM1 PHE 164 HB3 -0.00 0.15 0.14 -0.04 3.06 3.31 1dwiM1 PHE 164 HD2 -0.16 0.02 -0.07 -0.04 7.28 7.03 1dwiM1 PHE 164 HE2 0.16 0.01 -0.16 -0.04 7.38 7.35 1dwiM1 PHE 164 HZ 0.15 0.06 -0.10 -0.04 7.32 7.39 1dwiM1 LYS 165 H 0.02 0.58 -0.13 -0.55 8.42 8.33 1dwiM1 LYS 165 HA -0.31 0.02 0.40 -0.75 4.32 3.67 1dwiM1 LYS 165 HB2 -0.03 0.08 0.09 -0.04 1.87 1.96 1dwiM1 LYS 165 HB3 -0.03 0.05 0.17 -0.04 1.79 1.93 1dwiM1 LYS 165 HG2 -0.07 -0.04 -0.22 -0.04 1.46 1.09 1dwiM1 LYS 165 HG3 -0.07 0.02 -0.05 -0.04 1.46 1.32 1dwiM1 LYS 165 HD2 -0.01 0.01 -0.05 -0.04 1.69 1.59 1dwiM1 LYS 165 HD3 -0.02 -0.04 -0.04 -0.04 1.68 1.55 1dwiM1 LYS 165 HE2 -0.01 -0.03 -0.05 -0.04 2.99 2.86 1dwiM1 LYS 165 HE3 -0.01 0.02 -0.03 -0.04 2.99 2.94 1dwiM1 ASP 166 H -0.05 0.55 -0.15 -0.55 8.40 8.20 1dwiM1 ASP 166 HA -0.09 0.06 0.45 -0.75 4.63 4.29 1dwiM1 ASP 166 HB2 0.03 0.06 0.20 -0.04 2.71 2.97 1dwiM1 ASP 166 HB3 0.00 -0.09 0.06 -0.04 2.70 2.63 1dwiM1 TYR 167 H -0.15 0.50 -0.13 -0.55 8.29 7.96 1dwiM1 TYR 167 HA -0.34 -0.00 0.57 -0.75 4.56 4.03 1dwiM1 TYR 167 HB2 -0.87 0.02 0.16 -0.04 3.06 2.32 1dwiM1 TYR 167 HB3 -1.04 0.13 0.25 -0.04 2.98 2.29 1dwiM1 TYR 167 HD2 -0.69 0.02 0.03 -0.04 7.15 6.46 1dwiM1 TYR 167 HE2 0.02 0.02 -0.07 -0.04 6.85 6.77 1dwiM1 ALA 168 H -0.76 0.72 -0.02 -0.55 8.40 7.80 1dwiM1 ALA 168 HA -1.33 -0.02 0.41 -0.75 4.34 2.66 1dwiM1 ALA 168 HB3 -1.07 0.03 0.09 -0.04 1.41 0.42 1dwiM1 ASP 169 H -0.45 0.61 -0.17 -0.55 8.40 7.84 1dwiM1 ASP 169 HA -0.25 0.03 0.35 -0.75 4.63 4.00 1dwiM1 ASP 169 HB2 -0.10 0.00 0.12 -0.04 2.71 2.69 1dwiM1 ASP 169 HB3 -0.13 0.09 0.13 -0.04 2.70 2.75 1dwiM1 LEU 170 H -0.32 0.44 -0.25 -0.55 8.37 7.69 1dwiM1 LEU 170 HA -0.16 0.01 0.45 -0.75 4.35 3.91 1dwiM1 LEU 170 HB2 -0.10 0.01 0.14 -0.04 1.64 1.64 1dwiM1 LEU 170 HB3 -0.21 0.18 0.19 -0.04 1.64 1.75 1dwiM1 LEU 170 HG -0.13 -0.02 -0.24 -0.04 1.64 1.21 1dwiM1 LEU 170 HD13 -0.06 -0.01 0.02 -0.04 0.93 0.84 1dwiM1 LEU 170 HD23 0.06 -0.02 -0.05 -0.04 0.89 0.83 1dwiM1 CYS 171 H -0.64 0.50 -0.14 -0.55 8.50 7.68 1dwiM1 CYS 171 HA -0.13 -0.03 0.43 -0.75 4.58 4.10 1dwiM1 CYS 171 HB2 -1.05 0.16 0.16 -0.04 2.97 2.20 1dwiM1 CYS 171 HB3 -0.22 -0.03 -0.03 -0.04 2.97 2.64 1dwiM1 PHE 172 H -0.97 0.67 -0.06 -0.55 8.34 7.42 1dwiM1 PHE 172 HA -0.40 0.02 0.43 -0.75 4.62 3.92 1dwiM1 PHE 172 HB2 -1.36 0.07 0.07 -0.04 3.15 1.89 1dwiM1 PHE 172 HB3 -1.36 0.02 -0.03 -0.04 3.06 1.64 1dwiM1 PHE 172 HD2 -1.21 -0.02 -0.14 -0.04 7.28 5.87 1dwiM1 PHE 172 HE2 -1.15 -0.01 -0.11 -0.04 7.38 6.07 1dwiM1 PHE 172 HZ -0.61 -0.04 -0.12 -0.04 7.32 6.50 1dwiM1 GLU 173 H -0.24 0.62 -0.12 -0.55 8.60 8.31 1dwiM1 GLU 173 HA 0.18 0.04 0.44 -0.75 4.29 4.19 1dwiM1 GLU 173 HB2 0.10 0.01 0.11 -0.04 2.09 2.28 1dwiM1 GLU 173 HB3 -0.08 0.08 0.20 -0.04 1.99 2.15 1dwiM1 GLU 173 HG2 0.01 0.00 -0.25 -0.04 2.34 2.05 1dwiM1 GLU 173 HG3 0.08 -0.02 0.01 -0.04 2.34 2.37 1dwiM1 GLU 174 H -0.28 0.55 -0.13 -0.55 8.60 8.20 1dwiM1 GLU 174 HA -0.10 0.06 0.46 -0.75 4.29 3.95 1dwiM1 GLU 174 HB2 -1.25 0.04 0.11 -0.04 2.09 0.95 1dwiM1 GLU 174 HB3 -1.05 -0.08 -0.00 -0.04 1.99 0.82 1dwiM1 GLU 174 HG2 -0.23 0.09 0.05 -0.04 2.34 2.21 1dwiM1 GLU 174 HG3 -0.30 -0.11 -0.00 -0.04 2.34 1.88 1dwiM1 PHE 175 H -0.00 0.58 -0.03 -0.55 8.34 8.34 1dwiM1 PHE 175 HA 0.21 0.20 0.94 -0.75 4.62 5.21 1dwiM1 PHE 175 HB2 0.46 0.12 0.00 -0.04 3.15 3.69 1dwiM1 PHE 175 HB3 0.14 -0.06 0.05 -0.04 3.06 3.15 1dwiM1 PHE 175 HD2 0.07 0.06 -0.06 -0.04 7.28 7.30 1dwiM1 PHE 175 HE2 -0.38 0.00 -0.04 -0.04 7.38 6.92 1dwiM1 PHE 175 HZ 0.04 -0.07 0.03 -0.04 7.32 7.28 1dwiM1 GLY 176 H 0.27 0.51 0.04 -0.55 8.43 8.70 1dwiM1 GLY 176 HA2 0.55 0.11 0.36 -0.51 4.01 4.52 1dwiM1 GLY 176 HA3 0.35 0.08 0.38 -0.51 4.01 4.32 1dwiM1 ASP 177 H 0.18 0.09 -0.35 -0.55 8.40 7.78 1dwiM1 ASP 177 HA 0.09 0.15 0.61 -0.75 4.63 4.72 1dwiM1 ASP 177 HB2 0.11 -0.02 -0.01 -0.04 2.71 2.75 1dwiM1 ASP 177 HB3 0.08 -0.00 0.01 -0.04 2.70 2.75 1dwiM1 SER 178 H 0.15 0.27 -0.24 -0.55 8.46 8.10 1dwiM1 SER 178 HA 0.04 0.21 0.84 -0.75 4.49 4.82 1dwiM1 SER 178 HB2 0.13 0.00 0.04 -0.04 3.95 4.08 1dwiM1 SER 178 HB3 0.05 -0.01 -0.03 -0.04 3.93 3.90 1dwiM1 VAL 179 H 0.06 0.40 0.19 -0.55 8.24 8.34 1dwiM1 VAL 179 HA -0.25 0.10 0.74 -0.75 4.13 3.96 1dwiM1 VAL 179 HB -0.39 -0.02 -0.05 -0.04 2.12 1.62 1dwiM1 VAL 179 HG13 -1.59 -0.02 -0.23 -0.04 0.97 -0.91 1dwiM1 VAL 179 HG23 -0.25 -0.01 -0.05 -0.04 0.95 0.60 1dwiM1 LYS 180 H -0.31 0.19 0.19 -0.55 8.42 7.93 1dwiM1 LYS 180 HA -0.14 0.18 0.77 -0.75 4.32 4.37 1dwiM1 LYS 180 HB2 -0.32 -0.01 0.03 -0.04 1.87 1.53 1dwiM1 LYS 180 HB3 -0.33 0.05 0.13 -0.04 1.79 1.61 1dwiM1 LYS 180 HG2 -0.10 0.06 -0.30 -0.04 1.46 1.08 1dwiM1 LYS 180 HG3 -0.10 -0.01 -0.08 -0.04 1.46 1.23 1dwiM1 LYS 180 HD2 -0.06 0.13 -0.24 -0.04 1.69 1.48 1dwiM1 LYS 180 HD3 -0.02 0.11 -0.55 -0.04 1.68 1.17 1dwiM1 LYS 180 HE2 -0.01 -0.06 -0.41 -0.04 2.99 2.47 1dwiM1 LYS 180 HE3 -0.02 -0.11 -0.08 -0.04 2.99 2.74 1dwiM1 TYR 181 H -0.53 0.16 0.05 -0.55 8.29 7.43 1dwiM1 TYR 181 HA -0.19 0.27 0.91 -0.75 4.56 4.79 1dwiM1 TYR 181 HB2 -1.16 0.14 0.23 -0.04 3.06 2.23 1dwiM1 TYR 181 HB3 -0.70 -0.08 -0.06 -0.04 2.98 2.10 1dwiM1 TYR 181 HD2 -0.90 -0.02 -0.12 -0.04 7.15 6.07 1dwiM1 TYR 181 HE2 -0.31 0.01 -0.09 -0.04 6.85 6.43 1dwiM1 TRP 182 H 0.25 0.72 0.30 -0.55 7.97 8.69 1dwiM1 TRP 182 HA -0.03 0.18 1.01 -0.75 4.62 5.03 1dwiM1 TRP 182 HB2 -0.30 0.01 0.08 -0.04 3.23 2.98 1dwiM1 TRP 182 HB3 -0.07 -0.04 -0.06 -0.04 3.23 3.02 1dwiM1 TRP 182 HD1 -0.55 0.09 -0.27 -0.04 7.22 6.45 1dwiM1 TRP 182 HE1 0.01 0.20 -0.11 -0.04 10.20 10.25 1dwiM1 TRP 182 HE3 -0.07 0.10 -0.00 -0.04 7.59 7.58 1dwiM1 TRP 182 HZ2 0.16 0.02 -0.26 -0.04 7.44 7.31 1dwiM1 TRP 182 HZ3 -0.14 -0.10 -0.15 -0.04 7.13 6.70 1dwiM1 TRP 182 HH2 0.16 -0.01 -0.18 -0.04 7.19 7.12 1dwiM1 LEU 183 H 0.24 0.71 0.25 -0.55 8.37 9.03 1dwiM1 LEU 183 HA 0.12 0.46 0.94 -0.75 4.35 5.11 1dwiM1 LEU 183 HB2 0.13 -0.12 -0.10 -0.04 1.64 1.51 1dwiM1 LEU 183 HB3 0.10 -0.09 -0.18 -0.04 1.64 1.43 1dwiM1 LEU 183 HG 0.14 -0.06 -0.23 -0.04 1.64 1.45 1dwiM1 LEU 183 HD13 0.25 0.05 -0.25 -0.04 0.93 0.94 1dwiM1 LEU 183 HD23 0.19 -0.00 -0.43 -0.04 0.89 0.61 1dwiM1 THR 184 H 0.15 0.52 0.28 -0.55 8.28 8.68 1dwiM1 THR 184 HA 0.27 0.09 0.67 -0.75 4.39 4.67 1dwiM1 THR 184 HB 0.44 -0.01 0.05 -0.04 4.32 4.76 1dwiM1 THR 184 HG23 0.10 0.06 -0.07 -0.04 1.22 1.26 1dwiM1 ILE 185 H 0.17 0.19 0.24 -0.55 8.25 8.29 1dwiM1 ILE 185 HA 0.28 0.20 0.99 -0.75 4.18 4.89 1dwiM1 ILE 185 HB 0.01 0.01 0.13 -0.04 1.89 2.01 1dwiM1 ILE 185 HG12 0.00 -0.01 -0.04 -0.04 1.49 1.39 1dwiM1 ILE 185 HG13 0.20 -0.08 -0.25 -0.04 1.21 1.04 1dwiM1 ILE 185 HG23 0.04 0.01 -0.14 -0.04 0.93 0.80 1dwiM1 ILE 185 HD13 -0.10 0.03 0.02 -0.04 0.88 0.78 1dwiM1 ASN 186 H -0.02 0.58 0.29 -0.55 8.53 8.83 1dwiM1 ASN 186 HA -0.16 0.04 0.55 -0.75 4.76 4.43 1dwiM1 ASN 186 HB2 -0.64 -0.02 0.05 -0.04 2.88 2.23 1dwiM1 ASN 186 HB3 -0.90 -0.07 0.13 -0.04 2.79 1.91 1dwiM1 ASN 186 HD21 -1.07 0.02 -0.18 -0.04 7.03 5.76 1dwiM1 ASN 186 HD22 -2.18 -0.05 -0.19 -0.04 7.74 5.27 1dwiM1 GLN 187 H -0.12 0.11 0.02 -0.55 8.47 7.93 1dwiM1 GLN 187 HA -0.09 -0.05 0.18 -0.75 4.36 3.64 1dwiM1 GLN 187 HB2 0.28 0.04 -0.04 -0.04 2.15 2.39 1dwiM1 GLN 187 HB3 0.07 -0.06 0.06 -0.04 2.02 2.05 1dwiM1 GLN 187 HG2 -0.04 0.06 -0.20 -0.04 2.40 2.18 1dwiM1 GLN 187 HG3 -0.17 -0.04 -0.17 -0.04 2.39 1.97 1dwiM1 GLN 187 HE21 0.09 0.05 -0.09 -0.04 6.97 6.99 1dwiM1 GLN 187 HE22 0.28 -0.07 -0.05 -0.04 7.69 7.81 1dwiM1 LEU 188 H -0.30 0.49 0.24 -0.55 8.37 8.25 1dwiM1 LEU 188 HA -0.42 0.04 0.11 -0.75 4.35 3.33 1dwiM1 LEU 188 HB2 -1.09 -0.02 0.16 -0.04 1.64 0.65 1dwiM1 LEU 188 HB3 -1.82 0.05 0.01 -0.04 1.64 -0.16 1dwiM1 LEU 188 HG -0.32 0.12 0.11 -0.04 1.64 1.51 1dwiM1 LEU 188 HD13 -0.29 0.01 -0.01 -0.04 0.93 0.61 1dwiM1 LEU 188 HD23 -0.25 -0.01 -0.02 -0.04 0.89 0.56 1dwiM1 TYR 189 H -0.34 0.01 -0.18 -0.55 8.29 7.23 1dwiM1 TYR 189 HA -0.34 0.12 0.49 -0.75 4.56 4.07 1dwiM1 TYR 189 HB2 -0.27 0.14 0.15 -0.04 3.06 3.04 1dwiM1 TYR 189 HB3 -0.29 -0.09 0.05 -0.04 2.98 2.61 1dwiM1 TYR 189 HD2 0.15 0.04 -0.07 -0.04 7.15 7.23 1dwiM1 TYR 189 HE2 0.38 0.05 -0.04 -0.04 6.85 7.20 1dwiM1 SER 190 H -0.12 0.56 -0.17 -0.55 8.46 8.19 1dwiM1 SER 190 HA -0.09 0.03 0.27 -0.75 4.49 3.94 1dwiM1 SER 190 HB2 -0.21 0.13 0.13 -0.04 3.95 3.96 1dwiM1 SER 190 HB3 -0.45 -0.06 -0.03 -0.04 3.93 3.34 1dwiM1 VAL 191 H -0.43 0.29 -0.02 -0.55 8.24 7.53 1dwiM1 VAL 191 HA -0.51 0.02 0.36 -0.75 4.13 3.25 1dwiM1 VAL 191 HB -0.32 0.12 0.08 -0.04 2.12 1.96 1dwiM1 VAL 191 HG13 -0.04 0.02 -0.08 -0.04 0.97 0.82 1dwiM1 VAL 191 HG23 -0.72 0.00 0.03 -0.04 0.95 0.23 1dwiM1 PRO 192 HA -0.12 0.02 0.42 -0.51 4.44 4.25 1dwiM1 PRO 192 HB2 -0.26 0.07 0.02 -0.04 2.28 2.07 1dwiM1 PRO 192 HB3 -0.16 0.23 0.18 -0.04 2.02 2.24 1dwiM1 PRO 192 HG2 -0.39 0.16 0.08 -0.04 2.03 1.84 1dwiM1 PRO 192 HG3 -0.25 -0.03 -0.09 -0.04 2.03 1.62 1dwiM1 PRO 192 HD2 -0.36 0.12 -0.38 -0.04 3.68 3.02 1dwiM1 PRO 192 HD3 -0.31 0.01 0.06 -0.04 3.65 3.36 1dwiM1 THR 193 H -0.29 0.45 -0.23 -0.55 8.28 7.66 1dwiM1 THR 193 HA -0.10 0.09 0.67 -0.75 4.39 4.28 1dwiM1 THR 193 HB -0.12 -0.07 0.06 -0.04 4.32 4.15 1dwiM1 THR 193 HG23 -0.43 0.02 0.01 -0.04 1.22 0.77 1dwiM1 ARG 194 H -0.20 0.77 0.17 -0.55 8.46 8.65 1dwiM1 ARG 194 HA -0.09 -0.00 0.60 -0.75 4.34 4.09 1dwiM1 ARG 194 HB2 -0.26 0.14 0.06 -0.04 1.90 1.80 1dwiM1 ARG 194 HB3 -0.12 -0.07 -0.03 -0.04 1.80 1.54 1dwiM1 ARG 194 HG2 0.01 0.01 -0.04 -0.04 1.67 1.60 1dwiM1 ARG 194 HG3 -0.04 0.01 0.04 -0.04 1.67 1.64 1dwiM1 ARG 194 HD2 0.09 0.02 -0.06 -0.04 3.22 3.22 1dwiM1 ARG 194 HD3 -0.09 -0.03 -0.05 -0.04 3.22 3.01 1dwiM1 GLY 195 H -0.22 0.49 0.06 -0.55 8.43 8.21 1dwiM1 GLY 195 HA2 -0.43 0.27 0.35 -0.51 4.01 3.69 1dwiM1 GLY 195 HA3 -0.32 0.13 0.22 -0.51 4.01 3.53 1dwiM1 TYR 196 H -0.00 0.18 -0.26 -0.55 8.29 7.65 1dwiM1 TYR 196 HA -0.14 0.19 0.87 -0.75 4.56 4.72 1dwiM1 TYR 196 HB2 -0.12 0.20 0.03 -0.04 3.06 3.14 1dwiM1 TYR 196 HB3 -0.09 -0.12 0.01 -0.04 2.98 2.74 1dwiM1 TYR 196 HD2 -0.12 0.06 -0.13 -0.04 7.15 6.92 1dwiM1 TYR 196 HE2 -0.03 -0.02 -0.05 -0.04 6.85 6.71 1dwiM1 GLY 197 H -0.07 -0.04 -0.18 -0.55 8.43 7.60 1dwiM1 GLY 197 HA2 -0.05 0.06 1.02 -0.51 4.01 4.52 1dwiM1 GLY 197 HA3 -0.07 0.03 0.54 -0.51 4.01 4.00 1dwiM1 SER 198 H -0.07 0.45 0.38 -0.55 8.46 8.68 1dwiM1 SER 198 HA -0.05 0.20 0.81 -0.75 4.49 4.70 1dwiM1 SER 198 HB2 -0.01 0.05 0.08 -0.04 3.95 4.03 1dwiM1 SER 198 HB3 -0.02 -0.02 0.07 -0.04 3.93 3.93 1dwiM1 ALA 199 H -0.12 -0.01 -0.22 -0.55 8.40 7.50 1dwiM1 ALA 199 HA -0.20 0.05 0.15 -0.75 4.34 3.59 1dwiM1 ALA 199 HB3 -0.14 0.07 -0.39 -0.04 1.41 0.92 1dwiM1 LEU 200 H -0.06 -0.01 -0.20 -0.55 8.37 7.56 1dwiM1 LEU 200 HA 0.10 0.16 0.49 -0.75 4.35 4.34 1dwiM1 LEU 200 HB2 0.02 -0.11 0.01 -0.04 1.64 1.51 1dwiM1 LEU 200 HB3 0.10 -0.00 0.01 -0.04 1.64 1.70 1dwiM1 LEU 200 HG 0.01 0.01 -0.12 -0.04 1.64 1.50 1dwiM1 LEU 200 HD13 0.06 -0.02 -0.04 -0.04 0.93 0.90 1dwiM1 LEU 200 HD23 0.06 0.03 -0.05 -0.04 0.89 0.88 1dwiM1 ASP 201 H -0.26 0.44 -0.22 -0.55 8.40 7.82 1dwiM1 ASP 201 HA -0.37 0.18 0.77 -0.75 4.63 4.46 1dwiM1 ASP 201 HB2 -0.35 -0.08 -0.41 -0.04 2.71 1.82 1dwiM1 ASP 201 HB3 -0.25 -0.01 -0.07 -0.04 2.70 2.33 1dwiM1 ALA 202 H -2.23 0.04 0.04 -0.55 8.40 5.70 1dwiM1 ALA 202 HA -1.40 0.14 0.29 -0.75 4.34 2.61 1dwiM1 ALA 202 HB3 -1.45 -0.02 -0.04 -0.04 1.41 -0.14 1dwiM1 PRO 203 HA -0.35 -0.02 0.36 -0.51 4.44 3.92 1dwiM1 PRO 203 HB2 -0.02 0.09 -0.01 -0.04 2.28 2.30 1dwiM1 PRO 203 HB3 -0.14 -0.10 0.07 -0.04 2.02 1.81 1dwiM1 PRO 203 HG2 -0.80 0.12 0.02 -0.04 2.03 1.33 1dwiM1 PRO 203 HG3 -0.48 -0.02 0.02 -0.04 2.03 1.51 1dwiM1 PRO 203 HD2 -0.70 0.14 0.26 -0.04 3.68 3.33 1dwiM1 PRO 203 HD3 -0.25 -0.03 0.15 -0.04 3.65 3.48 1dwiM1 GLY 204 H -0.52 0.37 0.20 -0.55 8.43 7.93 1dwiM1 GLY 204 HA2 -0.22 0.11 0.27 -0.51 4.01 3.66 1dwiM1 GLY 204 HA3 0.02 0.07 0.56 -0.51 4.01 4.15 1dwiM1 ARG 205 H -0.45 0.48 0.24 -0.55 8.46 8.17 1dwiM1 ARG 205 HA -0.43 0.21 0.85 -0.75 4.34 4.22 1dwiM1 ARG 205 HB2 -0.49 -0.03 0.15 -0.04 1.90 1.49 1dwiM1 ARG 205 HB3 -0.25 -0.08 0.03 -0.04 1.80 1.46 1dwiM1 ARG 205 HG2 -0.88 0.05 -0.14 -0.04 1.67 0.66 1dwiM1 ARG 205 HG3 -0.49 -0.06 -0.26 -0.04 1.67 0.81 1dwiM1 ARG 205 HD2 -0.07 -0.02 -0.08 -0.04 3.22 3.01 1dwiM1 ARG 205 HD3 -0.34 -0.03 -0.04 -0.04 3.22 2.76 1dwiM1 CYS 206 H -0.19 0.65 0.27 -0.55 8.50 8.68 1dwiM1 CYS 206 HA -0.08 0.08 0.22 -0.75 4.58 4.04 1dwiM1 CYS 206 HB2 -0.07 0.02 0.04 -0.04 2.97 2.91 1dwiM1 CYS 206 HB3 -0.11 0.08 -0.56 -0.04 2.97 2.34 1dwiM1 SER 207 H -0.04 0.12 0.14 -0.55 8.46 8.14 1dwiM1 SER 207 HA -0.03 0.29 0.48 -0.75 4.49 4.48 1dwiM1 SER 207 HB2 -0.02 0.01 0.13 -0.04 3.95 4.03 1dwiM1 SER 207 HB3 -0.01 0.12 0.11 -0.04 3.93 4.11 1dwiM1 PRO 208 HA -0.03 0.22 0.09 -0.51 4.44 4.22 1dwiM1 PRO 208 HB2 -0.01 -0.04 0.01 -0.04 2.28 2.20 1dwiM1 PRO 208 HB3 -0.01 0.08 0.04 -0.04 2.02 2.09 1dwiM1 PRO 208 HG2 -0.01 0.01 0.09 -0.04 2.03 2.08 1dwiM1 PRO 208 HG3 -0.02 0.11 0.07 -0.04 2.03 2.15 1dwiM1 PRO 208 HD2 -0.01 0.05 0.23 -0.04 3.68 3.91 1dwiM1 PRO 208 HD3 -0.03 0.27 0.25 -0.04 3.65 4.10 1dwiM1 THR 209 H -0.01 0.11 -0.26 -0.55 8.28 7.57 1dwiM1 THR 209 HA -0.01 0.18 0.60 -0.75 4.39 4.41 1dwiM1 THR 209 HB -0.00 0.00 0.04 -0.04 4.32 4.31 1dwiM1 THR 209 HG23 -0.00 -0.01 -0.07 -0.04 1.22 1.10 1dwiM1 VAL 210 H -0.02 0.25 -0.34 -0.55 8.24 7.58 1dwiM1 VAL 210 HA -0.02 0.05 0.58 -0.75 4.13 3.98 1dwiM1 VAL 210 HB -0.04 0.09 0.11 -0.04 2.12 2.24 1dwiM1 VAL 210 HG13 -0.04 0.04 -0.05 -0.04 0.97 0.88 1dwiM1 VAL 210 HG23 -0.03 -0.02 -0.00 -0.04 0.95 0.85 1dwiM1 ASP 211 H -0.04 0.37 -0.32 -0.55 8.40 7.87 1dwiM1 ASP 211 HA -0.02 0.13 0.49 -0.75 4.63 4.48 1dwiM1 ASP 211 HB2 -0.04 0.16 -0.21 -0.04 2.71 2.58 1dwiM1 ASP 211 HB3 -0.07 -0.03 -0.08 -0.04 2.70 2.48 1dwiM1 PRO 212 HA -0.01 0.19 0.51 -0.51 4.44 4.62 1dwiM1 PRO 212 HB2 0.01 -0.02 -0.00 -0.04 2.28 2.22 1dwiM1 PRO 212 HB3 0.00 -0.00 0.11 -0.04 2.02 2.09 1dwiM1 PRO 212 HG2 -0.00 -0.03 0.04 -0.04 2.03 2.00 1dwiM1 PRO 212 HG3 -0.00 0.09 0.05 -0.04 2.03 2.13 1dwiM1 PRO 212 HD2 -0.01 0.05 0.12 -0.04 3.68 3.80 1dwiM1 PRO 212 HD3 -0.01 0.20 -0.11 -0.04 3.65 3.69 1dwiM1 SER 213 H -0.02 0.01 -0.47 -0.55 8.46 7.44 1dwiM1 SER 213 HA 0.07 0.09 0.45 -0.75 4.49 4.34 1dwiM1 SER 213 HB2 0.14 -0.00 0.03 -0.04 3.95 4.08 1dwiM1 SER 213 HB3 0.03 0.00 0.01 -0.04 3.93 3.93 1dwiM1 CYS 214 H -0.06 0.36 -0.31 -0.55 8.50 7.95 1dwiM1 CYS 214 HA -0.13 0.13 0.43 -0.75 4.58 4.26 1dwiM1 CYS 214 HB2 -0.10 0.05 -0.11 -0.04 2.97 2.77 1dwiM1 CYS 214 HB3 -0.20 -0.06 0.13 -0.04 2.97 2.80 1dwiM1 TYR 215 H 0.13 0.18 0.23 -0.55 8.29 8.29 1dwiM1 TYR 215 HA 0.04 0.16 0.47 -0.75 4.56 4.48 1dwiM1 TYR 215 HB2 0.03 -0.05 0.09 -0.04 3.06 3.09 1dwiM1 TYR 215 HB3 0.12 0.04 0.11 -0.04 2.98 3.21 1dwiM1 TYR 215 HD2 0.07 0.04 -0.05 -0.04 7.15 7.17 1dwiM1 TYR 215 HE2 -0.02 0.12 -0.12 -0.04 6.85 6.79 1dwiM1 ALA 216 H -0.45 0.30 0.01 -0.55 8.40 7.71 1dwiM1 ALA 216 HA -0.09 0.11 0.44 -0.75 4.34 4.04 1dwiM1 ALA 216 HB3 -0.15 0.01 -0.02 -0.04 1.41 1.21 1dwiM1 GLY 217 H -0.08 0.18 0.18 -0.55 8.43 8.17 1dwiM1 GLY 217 HA2 -0.06 -0.00 0.20 -0.51 4.01 3.64 1dwiM1 GLY 217 HA3 -0.12 0.11 0.86 -0.51 4.01 4.35 1dwiM1 ASN 218 H -0.01 0.27 -0.08 -0.55 8.53 8.17 1dwiM1 ASN 218 HA -0.01 0.11 0.55 -0.75 4.76 4.66 1dwiM1 ASN 218 HB2 0.00 0.20 -0.06 -0.04 2.88 2.98 1dwiM1 ASN 218 HB3 0.02 -0.07 0.16 -0.04 2.79 2.85 1dwiM1 ASN 218 HD21 0.01 0.06 0.04 -0.04 7.03 7.10 1dwiM1 ASN 218 HD22 0.01 0.06 0.05 -0.04 7.74 7.82 1dwiM1 SER 219 H -0.01 0.18 0.22 -0.55 8.46 8.29 1dwiM1 SER 219 HA -0.02 0.37 0.70 -0.75 4.49 4.77 1dwiM1 SER 219 HB2 -0.04 0.27 0.21 -0.04 3.95 4.34 1dwiM1 SER 219 HB3 -0.07 -0.10 0.32 -0.04 3.93 4.04 1dwiM1 SER 220 H 0.04 0.02 -0.24 -0.55 8.46 7.74 1dwiM1 SER 220 HA 0.10 0.02 0.55 -0.75 4.49 4.41 1dwiM1 SER 220 HB2 0.21 0.00 -0.07 -0.04 3.95 4.05 1dwiM1 SER 220 HB3 0.10 0.00 0.01 -0.04 3.93 4.00 1dwiM1 THR 221 H 0.05 0.05 -0.10 -0.55 8.28 7.74 1dwiM1 THR 221 HA 0.17 0.30 0.93 -0.75 4.39 5.03 1dwiM1 THR 221 HB 0.03 0.05 0.01 -0.04 4.32 4.37 1dwiM1 THR 221 HG23 0.03 0.01 -0.08 -0.04 1.22 1.14 1dwiM1 GLU 222 H 0.03 0.54 0.26 -0.55 8.60 8.88 1dwiM1 GLU 222 HA -0.02 0.03 0.40 -0.75 4.29 3.95 1dwiM1 GLU 222 HB2 0.08 0.23 0.20 -0.04 2.09 2.55 1dwiM1 GLU 222 HB3 0.05 -0.05 0.10 -0.04 1.99 2.04 1dwiM1 GLU 222 HG2 0.03 0.02 0.06 -0.04 2.34 2.41 1dwiM1 GLU 222 HG3 0.03 0.00 0.18 -0.04 2.34 2.52 1dwiM1 PRO 223 HA -0.10 -0.00 0.49 -0.51 4.44 4.31 1dwiM1 PRO 223 HB2 -0.39 0.03 -0.08 -0.04 2.28 1.81 1dwiM1 PRO 223 HB3 -0.04 -0.03 -0.19 -0.04 2.02 1.71 1dwiM1 PRO 223 HG2 -0.12 0.00 0.10 -0.04 2.03 1.97 1dwiM1 PRO 223 HG3 -0.04 0.14 -0.19 -0.04 2.03 1.90 1dwiM1 PRO 223 HD2 -0.06 0.04 -0.40 -0.04 3.68 3.22 1dwiM1 PRO 223 HD3 -0.01 0.24 0.13 -0.04 3.65 3.97 1dwiM1 TYR 224 H -0.09 0.30 -0.36 -0.55 8.29 7.59 1dwiM1 TYR 224 HA 0.34 0.02 0.52 -0.75 4.56 4.68 1dwiM1 TYR 224 HB2 -0.06 0.23 0.19 -0.04 3.06 3.38 1dwiM1 TYR 224 HB3 -0.09 -0.01 0.12 -0.04 2.98 2.96 1dwiM1 TYR 224 HD2 -0.12 0.06 0.06 -0.04 7.15 7.11 1dwiM1 TYR 224 HE2 -0.60 0.02 0.02 -0.04 6.85 6.25 1dwiM1 ILE 225 H 0.02 0.38 -0.01 -0.55 8.25 8.09 1dwiM1 ILE 225 HA -0.16 0.04 0.57 -0.75 4.18 3.88 1dwiM1 ILE 225 HB -0.08 0.01 0.21 -0.04 1.89 1.98 1dwiM1 ILE 225 HG12 -0.07 -0.02 0.05 -0.04 1.49 1.41 1dwiM1 ILE 225 HG13 -0.01 0.15 0.09 -0.04 1.21 1.39 1dwiM1 ILE 225 HG23 -0.14 -0.01 -0.02 -0.04 0.93 0.72 1dwiM1 ILE 225 HD13 -0.00 -0.03 -0.04 -0.04 0.88 0.77 1dwiM1 VAL 226 H -0.17 0.65 -0.05 -0.55 8.24 8.11 1dwiM1 VAL 226 HA -0.06 0.22 0.38 -0.75 4.13 3.91 1dwiM1 VAL 226 HB -0.36 0.09 0.11 -0.04 2.12 1.92 1dwiM1 VAL 226 HG13 -0.27 -0.04 -0.21 -0.04 0.97 0.40 1dwiM1 VAL 226 HG23 -1.17 0.01 -0.16 -0.04 0.95 -0.41 1dwiM1 ALA 227 H -0.04 0.64 -0.10 -0.55 8.40 8.36 1dwiM1 ALA 227 HA -0.05 -0.03 0.43 -0.75 4.34 3.93 1dwiM1 ALA 227 HB3 -0.26 0.03 0.09 -0.04 1.41 1.24 1dwiM1 HIS 228 H 0.16 0.53 -0.29 -0.55 8.41 8.26 1dwiM1 HIS 228 HA 0.21 0.02 0.41 -0.75 4.63 4.52 1dwiM1 HIS 228 HB2 0.03 0.21 0.19 -0.04 3.26 3.65 1dwiM1 HIS 228 HB3 -0.19 0.10 0.18 -0.04 3.20 3.25 1dwiM1 HIS 228 HD2 -0.02 -0.04 -0.09 -0.04 6.97 6.78 1dwiM1 HIS 228 HE1 -1.79 -0.05 -0.52 -0.04 7.75 5.35 1dwiM1 HIS 229 H -0.02 0.66 -0.05 -0.55 8.41 8.45 1dwiM1 HIS 229 HA 0.10 -0.05 0.44 -0.75 4.63 4.37 1dwiM1 HIS 229 HB2 0.16 0.22 0.17 -0.04 3.26 3.78 1dwiM1 HIS 229 HB3 0.12 -0.18 -0.02 -0.04 3.20 3.08 1dwiM1 HIS 229 HD2 0.13 -0.07 -0.10 -0.04 6.97 6.88 1dwiM1 HIS 229 HE1 0.03 0.19 -0.13 -0.04 7.75 7.79 1dwiM1 GLN 230 H 0.17 0.75 -0.12 -0.55 8.47 8.72 1dwiM1 GLN 230 HA 0.23 -0.09 0.55 -0.75 4.36 4.29 1dwiM1 GLN 230 HB2 -0.01 0.23 0.18 -0.04 2.15 2.52 1dwiM1 GLN 230 HB3 -0.10 -0.10 0.00 -0.04 2.02 1.77 1dwiM1 GLN 230 HG2 -0.70 -0.15 0.04 -0.04 2.40 1.54 1dwiM1 GLN 230 HG3 -0.20 0.27 0.04 -0.04 2.39 2.46 1dwiM1 GLN 230 HE21 -0.43 0.51 0.20 -0.04 6.97 7.20 1dwiM1 GLN 230 HE22 -0.23 0.06 0.07 -0.04 7.69 7.56 1dwiM1 LEU 231 H 0.16 0.63 -0.13 -0.55 8.37 8.49 1dwiM1 LEU 231 HA 0.17 -0.01 0.48 -0.75 4.35 4.24 1dwiM1 LEU 231 HB2 0.20 0.16 0.19 -0.04 1.64 2.15 1dwiM1 LEU 231 HB3 0.17 -0.02 -0.03 -0.04 1.64 1.73 1dwiM1 LEU 231 HG 0.28 -0.01 0.07 -0.04 1.64 1.94 1dwiM1 LEU 231 HD13 0.25 0.01 -0.01 -0.04 0.93 1.14 1dwiM1 LEU 231 HD23 0.14 -0.02 0.04 -0.04 0.89 1.01 1dwiM1 LEU 232 H 0.14 0.57 -0.09 -0.55 8.37 8.45 1dwiM1 LEU 232 HA 0.12 0.07 0.49 -0.75 4.35 4.28 1dwiM1 LEU 232 HB2 0.14 0.04 0.14 -0.04 1.64 1.92 1dwiM1 LEU 232 HB3 0.10 -0.08 0.02 -0.04 1.64 1.63 1dwiM1 LEU 232 HG -0.06 0.23 0.04 -0.04 1.64 1.81 1dwiM1 LEU 232 HD13 0.12 -0.02 -0.04 -0.04 0.93 0.94 1dwiM1 LEU 232 HD23 0.16 -0.01 -0.01 -0.04 0.89 0.98 1dwiM1 ALA 233 H 0.21 0.70 -0.10 -0.55 8.40 8.66 1dwiM1 ALA 233 HA 0.19 -0.01 0.49 -0.75 4.34 4.26 1dwiM1 ALA 233 HB3 0.27 -0.01 0.08 -0.04 1.41 1.71 1dwiM1 HIS 234 H 0.31 0.77 -0.02 -0.55 8.41 8.92 1dwiM1 HIS 234 HA 0.29 -0.10 0.46 -0.75 4.63 4.54 1dwiM1 HIS 234 HB2 0.11 -0.16 0.15 -0.04 3.26 3.32 1dwiM1 HIS 234 HB3 0.11 0.22 0.25 -0.04 3.20 3.73 1dwiM1 HIS 234 HD2 0.07 0.10 -0.01 -0.04 6.97 7.09 1dwiM1 HIS 234 HE1 0.03 -0.06 -0.01 -0.04 7.75 7.67 1dwiM1 ALA 235 H 0.16 0.56 -0.25 -0.55 8.40 8.33 1dwiM1 ALA 235 HA -0.19 0.08 0.37 -0.75 4.34 3.85 1dwiM1 ALA 235 HB3 0.07 0.06 -0.05 -0.04 1.41 1.46 1dwiM1 LYS 236 H 0.05 0.58 -0.15 -0.55 8.42 8.35 1dwiM1 LYS 236 HA 0.00 0.04 0.51 -0.75 4.32 4.12 1dwiM1 LYS 236 HB2 0.05 0.08 0.13 -0.04 1.87 2.08 1dwiM1 LYS 236 HB3 0.06 0.08 0.15 -0.04 1.79 2.03 1dwiM1 LYS 236 HG2 0.02 -0.05 -0.07 -0.04 1.46 1.32 1dwiM1 LYS 236 HG3 -0.00 -0.04 -0.07 -0.04 1.46 1.31 1dwiM1 LYS 236 HD2 0.01 0.04 0.03 -0.04 1.69 1.73 1dwiM1 LYS 236 HD3 0.02 -0.01 -0.02 -0.04 1.68 1.63 1dwiM1 LYS 236 HE2 0.00 -0.06 -0.05 -0.04 2.99 2.84 1dwiM1 LYS 236 HE3 -0.00 0.00 -0.02 -0.04 2.99 2.92 1dwiM1 VAL 237 H 0.00 0.54 -0.22 -0.55 8.24 8.01 1dwiM1 VAL 237 HA -0.05 -0.03 0.50 -0.75 4.13 3.79 1dwiM1 VAL 237 HB -0.04 0.15 0.15 -0.04 2.12 2.34 1dwiM1 VAL 237 HG13 -0.15 -0.02 -0.14 -0.04 0.97 0.61 1dwiM1 VAL 237 HG23 -0.52 -0.01 -0.05 -0.04 0.95 0.33 1dwiM1 VAL 238 H -0.17 0.61 -0.06 -0.55 8.24 8.07 1dwiM1 VAL 238 HA -0.04 -0.03 0.41 -0.75 4.13 3.72 1dwiM1 VAL 238 HB -0.17 0.14 0.13 -0.04 2.12 2.18 1dwiM1 VAL 238 HG13 -0.01 -0.02 -0.25 -0.04 0.97 0.65 1dwiM1 VAL 238 HG23 -0.30 0.08 -0.03 -0.04 0.95 0.66 1dwiM1 ASP 239 H -0.04 0.60 -0.20 -0.55 8.40 8.21 1dwiM1 ASP 239 HA -0.02 0.06 0.43 -0.75 4.63 4.34 1dwiM1 ASP 239 HB2 -0.02 0.13 0.11 -0.04 2.71 2.89 1dwiM1 ASP 239 HB3 -0.01 0.06 0.18 -0.04 2.70 2.88 1dwiM1 LEU 240 H 0.01 0.57 -0.14 -0.55 8.37 8.27 1dwiM1 LEU 240 HA 0.02 -0.02 0.44 -0.75 4.35 4.04 1dwiM1 LEU 240 HB2 0.03 -0.01 0.12 -0.04 1.64 1.74 1dwiM1 LEU 240 HB3 0.09 0.15 0.20 -0.04 1.64 2.05 1dwiM1 LEU 240 HG 0.35 0.01 -0.34 -0.04 1.64 1.61 1dwiM1 LEU 240 HD13 0.11 -0.02 0.01 -0.04 0.93 0.98 1dwiM1 LEU 240 HD23 0.05 -0.03 -0.03 -0.04 0.89 0.83 1dwiM1 TYR 241 H 0.09 0.65 -0.19 -0.55 8.29 8.29 1dwiM1 TYR 241 HA -0.27 -0.04 0.35 -0.75 4.56 3.85 1dwiM1 TYR 241 HB2 -0.65 -0.01 0.03 -0.04 3.06 2.39 1dwiM1 TYR 241 HB3 -0.26 0.14 0.08 -0.04 2.98 2.89 1dwiM1 TYR 241 HD2 -1.38 -0.01 -0.16 -0.04 7.15 5.56 1dwiM1 TYR 241 HE2 -0.30 0.07 -0.32 -0.04 6.85 6.27 1dwiM1 ARG 242 H -0.01 0.64 -0.14 -0.55 8.46 8.40 1dwiM1 ARG 242 HA -0.21 0.06 0.45 -0.75 4.34 3.89 1dwiM1 ARG 242 HB2 -0.03 0.07 0.09 -0.04 1.90 1.99 1dwiM1 ARG 242 HB3 -0.05 -0.03 0.07 -0.04 1.80 1.75 1dwiM1 ARG 242 HG2 0.05 -0.04 -0.07 -0.04 1.67 1.57 1dwiM1 ARG 242 HG3 0.07 0.16 0.04 -0.04 1.67 1.89 1dwiM1 ARG 242 HD2 0.00 -0.00 0.00 -0.04 3.22 3.18 1dwiM1 ARG 242 HD3 0.06 -0.08 -0.04 -0.04 3.22 3.13 1dwiM1 LYS 243 H -0.07 0.45 -0.25 -0.55 8.42 8.01 1dwiM1 LYS 243 HA -0.08 0.13 0.82 -0.75 4.32 4.44 1dwiM1 LYS 243 HB2 -0.05 0.09 0.10 -0.04 1.87 1.97 1dwiM1 LYS 243 HB3 -0.06 -0.09 0.01 -0.04 1.79 1.61 1dwiM1 LYS 243 HG2 -0.05 -0.01 -0.03 -0.04 1.46 1.33 1dwiM1 LYS 243 HG3 -0.04 0.09 -0.02 -0.04 1.46 1.44 1dwiM1 LYS 243 HD2 -0.03 -0.01 -0.05 -0.04 1.69 1.56 1dwiM1 LYS 243 HD3 -0.04 -0.07 -0.02 -0.04 1.68 1.51 1dwiM1 LYS 243 HE2 -0.03 -0.03 -0.02 -0.04 2.99 2.87 1dwiM1 LYS 243 HE3 -0.03 0.06 -0.03 -0.04 2.99 2.95 1dwiM1 ASN 244 H -0.11 0.61 0.04 -0.55 8.53 8.52 1dwiM1 ASN 244 HA -0.21 0.16 0.93 -0.75 4.76 4.88 1dwiM1 ASN 244 HB2 -0.14 0.17 0.10 -0.04 2.88 2.97 1dwiM1 ASN 244 HB3 -0.52 -0.06 0.07 -0.04 2.79 2.24 1dwiM1 ASN 244 HD21 -0.07 -0.04 -0.02 -0.04 7.03 6.86 1dwiM1 ASN 244 HD22 -0.06 -0.03 -0.00 -0.04 7.74 7.61 1dwiM1 TYR 245 H -0.24 0.51 0.00 -0.55 8.29 8.00 1dwiM1 TYR 245 HA -0.22 0.16 0.90 -0.75 4.56 4.65 1dwiM1 TYR 245 HB2 -0.87 0.10 0.12 -0.04 3.06 2.37 1dwiM1 TYR 245 HB3 -0.55 -0.03 0.14 -0.04 2.98 2.51 1dwiM1 TYR 245 HD2 -0.10 0.05 -0.14 -0.04 7.15 6.92 1dwiM1 TYR 245 HE2 0.09 -0.03 -0.12 -0.04 6.85 6.74 1dwiM1 THR 246 H -0.18 0.16 -0.23 -0.55 8.28 7.48 1dwiM1 THR 246 HA -0.29 0.12 0.36 -0.75 4.39 3.83 1dwiM1 THR 246 HB -0.15 0.24 0.12 -0.04 4.32 4.49 1dwiM1 THR 246 HG23 -0.05 -0.01 -0.09 -0.04 1.22 1.02 1dwiM1 HIS 247 H 0.07 0.08 -0.38 -0.55 8.41 7.63 1dwiM1 HIS 247 HA -0.06 0.07 0.37 -0.75 4.63 4.26 1dwiM1 HIS 247 HB2 -0.04 0.01 0.02 -0.04 3.26 3.22 1dwiM1 HIS 247 HB3 -0.07 -0.04 0.03 -0.04 3.20 3.08 1dwiM1 HIS 247 HD2 0.01 0.01 -0.19 -0.04 6.97 6.75 1dwiM1 HIS 247 HE1 -0.27 0.17 0.12 -0.04 7.75 7.72 1dwiM1 GLN 248 H -0.53 0.44 -0.44 -0.55 8.47 7.39 1dwiM1 GLN 248 HA -0.11 0.08 0.52 -0.75 4.36 4.10 1dwiM1 GLN 248 HB2 -0.19 0.06 0.06 -0.04 2.15 2.04 1dwiM1 GLN 248 HB3 -0.00 0.25 0.04 -0.04 2.02 2.27 1dwiM1 GLN 248 HG2 -0.09 -0.02 -0.17 -0.04 2.40 2.07 1dwiM1 GLN 248 HG3 -0.77 -0.12 -0.08 -0.04 2.39 1.38 1dwiM1 GLN 248 HE21 0.15 0.36 -0.00 -0.04 6.97 7.43 1dwiM1 GLN 248 HE22 0.21 -0.04 -0.13 -0.04 7.69 7.69 1dwiM1 GLY 249 H -0.13 0.36 -0.23 -0.55 8.43 7.88 1dwiM1 GLY 249 HA2 -0.06 0.00 0.32 -0.51 4.01 3.76 1dwiM1 GLY 249 HA3 -0.04 0.02 0.33 -0.51 4.01 3.80 1dwiM1 GLY 250 H -0.01 0.00 -0.18 -0.55 8.43 7.70 1dwiM1 GLY 250 HA2 -0.15 0.26 0.94 -0.51 4.01 4.55 1dwiM1 GLY 250 HA3 0.10 -0.03 0.28 -0.51 4.01 3.86 1dwiM1 LYS 251 H -0.10 0.64 0.27 -0.55 8.42 8.67 1dwiM1 LYS 251 HA 0.21 0.15 0.88 -0.75 4.32 4.80 1dwiM1 LYS 251 HB2 -0.05 0.01 0.04 -0.04 1.87 1.83 1dwiM1 LYS 251 HB3 0.46 -0.07 -0.05 -0.04 1.79 2.09 1dwiM1 LYS 251 HG2 0.11 0.06 -0.08 -0.04 1.46 1.50 1dwiM1 LYS 251 HG3 -0.08 0.04 -0.33 -0.04 1.46 1.06 1dwiM1 LYS 251 HD2 0.09 -0.03 -0.09 -0.04 1.69 1.62 1dwiM1 LYS 251 HD3 0.26 0.02 -0.10 -0.04 1.68 1.81 1dwiM1 LYS 251 HE2 0.03 0.03 -0.06 -0.04 2.99 2.95 1dwiM1 LYS 251 HE3 0.13 -0.02 -0.04 -0.04 2.99 3.02 1dwiM1 ILE 252 H 0.18 0.25 0.24 -0.55 8.25 8.37 1dwiM1 ILE 252 HA 0.12 0.32 1.00 -0.75 4.18 4.87 1dwiM1 ILE 252 HB -0.56 0.02 -0.27 -0.04 1.89 1.04 1dwiM1 ILE 252 HG12 -0.04 -0.01 -0.16 -0.04 1.49 1.24 1dwiM1 ILE 252 HG13 0.02 0.04 -0.08 -0.04 1.21 1.14 1dwiM1 ILE 252 HG23 0.02 0.01 -0.06 -0.04 0.93 0.86 1dwiM1 ILE 252 HD13 -0.29 -0.01 -0.18 -0.04 0.88 0.35 1dwiM1 GLY 253 H -0.16 0.54 0.41 -0.55 8.43 8.68 1dwiM1 GLY 253 HA2 -0.02 0.15 0.70 -0.51 4.01 4.33 1dwiM1 GLY 253 HA3 -0.62 0.32 0.56 -0.51 4.01 3.76 1dwiM1 PRO 254 HA 0.02 -0.17 0.84 -0.51 4.44 4.62 1dwiM1 PRO 254 HB2 -0.23 0.02 0.01 -0.04 2.28 2.03 1dwiM1 PRO 254 HB3 -0.58 0.05 0.16 -0.04 2.02 1.61 1dwiM1 PRO 254 HG2 -0.18 -0.04 -0.02 -0.04 2.03 1.76 1dwiM1 PRO 254 HG3 -0.25 0.14 0.05 -0.04 2.03 1.92 1dwiM1 PRO 254 HD2 -0.12 0.31 0.44 -0.04 3.68 4.28 1dwiM1 PRO 254 HD3 0.13 0.31 0.32 -0.04 3.65 4.37 1dwiM1 THR 255 H -0.06 0.40 0.33 -0.55 8.28 8.40 1dwiM1 THR 255 HA -0.04 0.43 1.08 -0.75 4.39 5.11 1dwiM1 THR 255 HB -0.08 -0.07 0.31 -0.04 4.32 4.44 1dwiM1 THR 255 HG23 -0.08 -0.00 -0.17 -0.04 1.22 0.93 1dwiM1 MET 256 H -0.06 0.76 0.36 -0.55 8.47 8.98 1dwiM1 MET 256 HA -0.11 -0.03 1.05 -0.75 4.52 4.67 1dwiM1 MET 256 HB2 -0.02 0.03 0.07 -0.04 2.15 2.19 1dwiM1 MET 256 HB3 0.09 0.14 -0.15 -0.04 2.03 2.08 1dwiM1 MET 256 HG2 -0.05 -0.04 -0.21 -0.04 2.63 2.28 1dwiM1 MET 256 HG3 0.12 0.08 -0.06 -0.04 2.56 2.66 1dwiM1 MET 256 HE3 0.27 0.07 0.11 -0.04 2.10 2.51 1dwiM1 ILE 257 H -0.06 0.00 0.15 -0.55 8.25 7.79 1dwiM1 ILE 257 HA 0.05 0.14 0.89 -0.75 4.18 4.50 1dwiM1 ILE 257 HB 0.04 -0.08 0.08 -0.04 1.89 1.89 1dwiM1 ILE 257 HG12 0.12 -0.04 -0.09 -0.04 1.49 1.44 1dwiM1 ILE 257 HG13 0.21 0.10 -0.29 -0.04 1.21 1.19 1dwiM1 ILE 257 HG23 -0.05 -0.03 0.03 -0.04 0.93 0.84 1dwiM1 ILE 257 HD13 0.07 0.01 -0.06 -0.04 0.88 0.86 1dwiM1 THR 258 H 0.12 0.74 0.30 -0.55 8.28 8.90 1dwiM1 THR 258 HA 0.45 0.16 0.89 -0.75 4.39 5.13 1dwiM1 THR 258 HB 0.37 0.03 0.02 -0.04 4.32 4.70 1dwiM1 THR 258 HG23 0.05 0.01 -0.15 -0.04 1.22 1.08 1dwiM1 ARG 259 H 0.27 0.34 0.19 -0.55 8.46 8.71 1dwiM1 ARG 259 HA -0.00 0.20 0.73 -0.75 4.34 4.51 1dwiM1 ARG 259 HB2 -1.01 -0.06 -0.06 -0.04 1.90 0.74 1dwiM1 ARG 259 HB3 -0.67 0.11 0.16 -0.04 1.80 1.36 1dwiM1 ARG 259 HG2 -0.54 0.04 0.04 -0.04 1.67 1.17 1dwiM1 ARG 259 HG3 -0.27 -0.09 -0.44 -0.04 1.67 0.82 1dwiM1 ARG 259 HD2 -0.95 -0.00 -0.13 -0.04 3.22 2.10 1dwiM1 ARG 259 HD3 -0.23 0.01 -0.13 -0.04 3.22 2.83 1dwiM1 TRP 260 H 0.30 0.14 0.13 -0.55 7.97 7.99 1dwiM1 TRP 260 HA -0.16 0.21 0.83 -0.75 4.62 4.74 1dwiM1 TRP 260 HB2 0.05 0.06 0.06 -0.04 3.23 3.36 1dwiM1 TRP 260 HB3 0.06 -0.07 -0.01 -0.04 3.23 3.16 1dwiM1 TRP 260 HD1 0.10 -0.06 -0.18 -0.04 7.22 7.04 1dwiM1 TRP 260 HE1 0.07 -0.01 -0.03 -0.04 10.20 10.19 1dwiM1 TRP 260 HE3 -0.01 0.06 0.08 -0.04 7.59 7.68 1dwiM1 TRP 260 HZ2 0.03 -0.01 0.01 -0.04 7.44 7.43 1dwiM1 TRP 260 HZ3 -0.78 -0.00 0.02 -0.04 7.13 6.32 1dwiM1 TRP 260 HH2 -0.28 0.00 0.01 -0.04 7.19 6.88 1dwiM1 PHE 261 H -1.48 0.29 0.14 -0.55 8.34 6.73 1dwiM1 PHE 261 HA -0.30 0.35 0.92 -0.75 4.62 4.85 1dwiM1 PHE 261 HB2 -0.54 0.01 0.03 -0.04 3.15 2.61 1dwiM1 PHE 261 HB3 -0.28 0.01 -0.00 -0.04 3.06 2.75 1dwiM1 PHE 261 HD2 -0.25 0.03 -0.14 -0.04 7.28 6.87 1dwiM1 PHE 261 HE2 -0.20 -0.01 -0.15 -0.04 7.38 6.98 1dwiM1 PHE 261 HZ -1.25 -0.02 -0.14 -0.04 7.32 5.87 1dwiM1 LEU 262 H -0.11 0.62 0.31 -0.55 8.37 8.64 1dwiM1 LEU 262 HA -0.08 0.20 0.82 -0.75 4.35 4.54 1dwiM1 LEU 262 HB2 -0.12 -0.03 -0.14 -0.04 1.64 1.31 1dwiM1 LEU 262 HB3 0.15 0.07 -0.05 -0.04 1.64 1.77 1dwiM1 LEU 262 HG -0.11 -0.09 -0.40 -0.04 1.64 0.99 1dwiM1 LEU 262 HD13 -0.29 -0.00 -0.15 -0.04 0.93 0.45 1dwiM1 LEU 262 HD23 0.24 0.04 -0.04 -0.04 0.89 1.09 1dwiM1 PRO 263 HA 0.08 0.22 0.52 -0.51 4.44 4.75 1dwiM1 PRO 263 HB2 0.03 -0.14 -0.47 -0.04 2.28 1.66 1dwiM1 PRO 263 HB3 0.03 0.04 -0.27 -0.04 2.02 1.78 1dwiM1 PRO 263 HG2 0.04 0.04 0.04 -0.04 2.03 2.11 1dwiM1 PRO 263 HG3 0.02 0.09 0.02 -0.04 2.03 2.12 1dwiM1 PRO 263 HD2 0.09 0.09 0.16 -0.04 3.68 3.97 1dwiM1 PRO 263 HD3 0.02 0.20 0.19 -0.04 3.65 4.01 1dwiM1 TYR 264 H 0.19 0.73 0.29 -0.55 8.29 8.95 1dwiM1 TYR 264 HA -0.25 0.04 0.47 -0.75 4.56 4.06 1dwiM1 TYR 264 HB2 -0.02 0.04 -0.24 -0.04 3.06 2.80 1dwiM1 TYR 264 HB3 -0.04 0.02 0.05 -0.04 2.98 2.96 1dwiM1 TYR 264 HD2 -0.09 0.04 -0.03 -0.04 7.15 7.03 1dwiM1 TYR 264 HE2 -0.08 0.08 -0.13 -0.04 6.85 6.68 1dwiM1 ASN 265 H 0.06 0.19 -0.21 -0.55 8.53 8.02 1dwiM1 ASN 265 HA -0.17 0.12 0.77 -0.75 4.76 4.72 1dwiM1 ASN 265 HB2 -0.14 0.10 -0.04 -0.04 2.88 2.76 1dwiM1 ASN 265 HB3 0.02 -0.04 0.19 -0.04 2.79 2.92 1dwiM1 ASN 265 HD21 -0.04 0.07 -0.04 -0.04 7.03 6.98 1dwiM1 ASN 265 HD22 -0.03 0.05 0.00 -0.04 7.74 7.72 1dwiM1 ASP 266 H -0.06 0.24 0.04 -0.55 8.40 8.07 1dwiM1 ASP 266 HA 0.01 0.12 0.36 -0.75 4.63 4.36 1dwiM1 ASP 266 HB2 0.02 0.05 0.18 -0.04 2.71 2.92 1dwiM1 ASP 266 HB3 0.02 0.09 0.07 -0.04 2.70 2.83 1dwiM1 THR 267 H -0.03 -0.01 -0.43 -0.55 8.28 7.27 1dwiM1 THR 267 HA -0.01 0.28 0.89 -0.75 4.39 4.80 1dwiM1 THR 267 HB -0.01 0.04 0.16 -0.04 4.32 4.46 1dwiM1 THR 267 HG23 -0.01 0.01 -0.13 -0.04 1.22 1.05 1dwiM1 ASP 268 H -0.00 0.44 -0.13 -0.55 8.40 8.15 1dwiM1 ASP 268 HA -0.01 0.20 0.90 -0.75 4.63 4.97 1dwiM1 ASP 268 HB2 0.03 0.08 0.07 -0.04 2.71 2.84 1dwiM1 ASP 268 HB3 0.03 0.10 0.27 -0.04 2.70 3.06 1dwiM1 ARG 269 H -0.10 0.27 0.14 -0.55 8.46 8.22 1dwiM1 ARG 269 HA -0.07 0.10 0.32 -0.75 4.34 3.93 1dwiM1 ARG 269 HB2 -0.14 0.05 0.06 -0.04 1.90 1.83 1dwiM1 ARG 269 HB3 -0.11 0.07 0.11 -0.04 1.80 1.83 1dwiM1 ARG 269 HG2 -0.36 -0.07 0.11 -0.04 1.67 1.31 1dwiM1 ARG 269 HG3 -0.70 0.02 -0.15 -0.04 1.67 0.80 1dwiM1 ARG 269 HD2 -0.16 0.03 -0.01 -0.04 3.22 3.04 1dwiM1 ARG 269 HD3 -0.13 0.03 0.03 -0.04 3.22 3.12 1dwiM1 HIS 270 H -0.15 0.06 -0.22 -0.55 8.41 7.56 1dwiM1 HIS 270 HA -0.01 0.15 0.56 -0.75 4.63 4.58 1dwiM1 HIS 270 HB2 -0.00 -0.03 0.07 -0.04 3.26 3.26 1dwiM1 HIS 270 HB3 -0.01 0.08 0.06 -0.04 3.20 3.29 1dwiM1 HIS 270 HD2 -0.00 -0.02 0.05 -0.04 6.97 6.95 1dwiM1 HIS 270 HE1 -0.01 0.04 -0.01 -0.04 7.75 7.74 1dwiM1 SER 271 H 0.08 0.10 -0.08 -0.55 8.46 8.02 1dwiM1 SER 271 HA 0.04 0.08 0.69 -0.75 4.49 4.55 1dwiM1 SER 271 HB2 0.11 0.00 0.25 -0.04 3.95 4.28 1dwiM1 SER 271 HB3 0.06 0.00 0.31 -0.04 3.93 4.26 1dwiM1 ILE 272 H 0.01 0.54 -0.04 -0.55 8.25 8.21 1dwiM1 ILE 272 HA 0.00 0.02 0.46 -0.75 4.18 3.91 1dwiM1 ILE 272 HB -0.02 0.04 0.13 -0.04 1.89 2.00 1dwiM1 ILE 272 HG12 0.01 0.00 0.01 -0.04 1.49 1.47 1dwiM1 ILE 272 HG13 0.01 0.02 0.00 -0.04 1.21 1.20 1dwiM1 ILE 272 HG23 0.00 0.00 -0.08 -0.04 0.93 0.81 1dwiM1 ILE 272 HD13 -0.01 0.03 -0.24 -0.04 0.88 0.63 1dwiM1 ALA 273 H -0.00 0.50 -0.20 -0.55 8.40 8.15 1dwiM1 ALA 273 HA -0.00 0.01 0.34 -0.75 4.34 3.93 1dwiM1 ALA 273 HB3 0.01 0.03 0.12 -0.04 1.41 1.52 1dwiM1 ALA 274 H 0.00 0.46 -0.23 -0.55 8.40 8.09 1dwiM1 ALA 274 HA -0.05 0.12 0.38 -0.75 4.34 4.03 1dwiM1 ALA 274 HB3 -0.04 0.04 -0.14 -0.04 1.41 1.22 1dwiM1 THR 275 H -0.04 0.50 -0.37 -0.55 8.28 7.81 1dwiM1 THR 275 HA -0.15 -0.01 0.35 -0.75 4.39 3.83 1dwiM1 THR 275 HB -0.06 0.20 0.11 -0.04 4.32 4.52 1dwiM1 THR 275 HG23 -0.14 -0.05 -0.33 -0.04 1.22 0.66 1dwiM1 GLU 276 H -0.05 0.50 -0.10 -0.55 8.60 8.40 1dwiM1 GLU 276 HA -0.07 0.02 0.48 -0.75 4.29 3.96 1dwiM1 GLU 276 HB2 -0.00 0.10 0.13 -0.04 2.09 2.28 1dwiM1 GLU 276 HB3 0.02 -0.05 0.03 -0.04 1.99 1.95 1dwiM1 GLU 276 HG2 -0.02 0.16 0.04 -0.04 2.34 2.49 1dwiM1 GLU 276 HG3 0.01 -0.02 -0.00 -0.04 2.34 2.29 1dwiM1 ARG 277 H -0.02 0.64 -0.13 -0.55 8.46 8.39 1dwiM1 ARG 277 HA 0.12 -0.06 0.48 -0.75 4.34 4.13 1dwiM1 ARG 277 HB2 -0.05 0.16 0.14 -0.04 1.90 2.11 1dwiM1 ARG 277 HB3 0.05 0.00 0.02 -0.04 1.80 1.84 1dwiM1 ARG 277 HG2 0.10 -0.14 0.03 -0.04 1.67 1.61 1dwiM1 ARG 277 HG3 0.02 0.14 0.03 -0.04 1.67 1.82 1dwiM1 ARG 277 HD2 0.03 0.01 -0.01 -0.04 3.22 3.21 1dwiM1 ARG 277 HD3 0.03 -0.10 -0.03 -0.04 3.22 3.08 1dwiM1 MET 278 H -0.18 0.59 -0.28 -0.55 8.47 8.06 1dwiM1 MET 278 HA -0.18 -0.01 0.38 -0.75 4.52 3.97 1dwiM1 MET 278 HB2 -0.68 0.17 0.10 -0.04 2.15 1.69 1dwiM1 MET 278 HB3 -1.80 -0.08 -0.12 -0.04 2.03 -0.01 1dwiM1 MET 278 HG2 -0.30 0.24 -0.05 -0.04 2.63 2.47 1dwiM1 MET 278 HG3 -0.52 -0.06 -0.13 -0.04 2.56 1.80 1dwiM1 MET 278 HE3 -0.26 -0.02 -0.08 -0.04 2.10 1.70 1dwiM1 LYS 279 H -0.17 0.49 -0.20 -0.55 8.42 7.98 1dwiM1 LYS 279 HA 0.17 0.01 0.53 -0.75 4.32 4.27 1dwiM1 LYS 279 HB2 0.01 0.15 0.16 -0.04 1.87 2.14 1dwiM1 LYS 279 HB3 0.06 -0.04 0.04 -0.04 1.79 1.81 1dwiM1 LYS 279 HG2 -0.26 -0.05 0.06 -0.04 1.46 1.17 1dwiM1 LYS 279 HG3 -0.22 0.16 0.08 -0.04 1.46 1.44 1dwiM1 LYS 279 HD2 -0.19 -0.01 0.01 -0.04 1.69 1.46 1dwiM1 LYS 279 HD3 -0.59 -0.01 0.02 -0.04 1.68 1.06 1dwiM1 LYS 279 HE2 -1.97 -0.07 0.05 -0.04 2.99 0.96 1dwiM1 LYS 279 HE3 -0.59 0.04 -0.07 -0.04 2.99 2.33 1dwiM1 GLU 280 H 0.10 0.50 -0.18 -0.55 8.60 8.48 1dwiM1 GLU 280 HA 0.18 -0.02 0.57 -0.75 4.29 4.26 1dwiM1 GLU 280 HB2 0.09 0.17 0.15 -0.04 2.09 2.47 1dwiM1 GLU 280 HB3 -0.03 -0.12 -0.02 -0.04 1.99 1.78 1dwiM1 GLU 280 HG2 0.11 0.12 0.06 -0.04 2.34 2.58 1dwiM1 GLU 280 HG3 0.06 -0.04 0.02 -0.04 2.34 2.34 1dwiM1 PHE 281 H 0.31 0.74 -0.01 -0.55 8.34 8.84 1dwiM1 PHE 281 HA 0.03 0.04 0.52 -0.75 4.62 4.46 1dwiM1 PHE 281 HB2 -0.01 0.11 0.06 -0.04 3.15 3.27 1dwiM1 PHE 281 HB3 0.03 -0.03 -0.07 -0.04 3.06 2.95 1dwiM1 PHE 281 HD2 -0.15 0.11 -0.02 -0.04 7.28 7.18 1dwiM1 PHE 281 HE2 -0.12 -0.00 -0.14 -0.04 7.38 7.08 1dwiM1 PHE 281 HZ -0.11 0.06 -0.15 -0.04 7.32 7.08 1dwiM1 PHE 282 H 0.37 0.53 -0.20 -0.55 8.34 8.49 1dwiM1 PHE 282 HA 0.39 0.10 0.76 -0.75 4.62 5.12 1dwiM1 PHE 282 HB2 0.04 -0.02 0.03 -0.04 3.15 3.16 1dwiM1 PHE 282 HB3 0.25 0.06 0.10 -0.04 3.06 3.43 1dwiM1 PHE 282 HD2 -0.00 0.02 -0.12 -0.04 7.28 7.14 1dwiM1 PHE 282 HE2 -0.23 -0.03 -0.23 -0.04 7.38 6.85 1dwiM1 PHE 282 HZ -0.16 -0.07 -0.21 -0.04 7.32 6.85 1dwiM1 LEU 283 H 0.46 0.45 0.15 -0.55 8.37 8.88 1dwiM1 LEU 283 HA 0.36 0.14 0.88 -0.75 4.35 4.98 1dwiM1 LEU 283 HB2 0.46 0.16 0.22 -0.04 1.64 2.43 1dwiM1 LEU 283 HB3 0.40 -0.03 0.06 -0.04 1.64 2.02 1dwiM1 LEU 283 HG 0.67 -0.05 0.09 -0.04 1.64 2.31 1dwiM1 LEU 283 HD13 0.53 0.02 0.07 -0.04 0.93 1.51 1dwiM1 LEU 283 HD23 0.64 -0.02 0.06 -0.04 0.89 1.54 1dwiM1 GLY 284 H 0.31 0.44 0.25 -0.55 8.43 8.88 1dwiM1 GLY 284 HA2 0.22 -0.04 0.33 -0.51 4.01 4.01 1dwiM1 GLY 284 HA3 0.22 0.05 0.42 -0.51 4.01 4.20 1dwiM1 TRP 285 H 0.33 0.22 -0.43 -0.55 7.97 7.54 1dwiM1 TRP 285 HA -0.05 -0.01 0.43 -0.75 4.62 4.24 1dwiM1 TRP 285 HB2 -0.06 0.16 0.04 -0.04 3.23 3.33 1dwiM1 TRP 285 HB3 -0.31 -0.01 -0.13 -0.04 3.23 2.74 1dwiM1 TRP 285 HD1 -0.15 0.00 0.08 -0.04 7.22 7.10 1dwiM1 TRP 285 HE1 -0.13 0.01 -0.01 -0.04 10.20 10.02 1dwiM1 TRP 285 HE3 0.29 0.24 0.09 -0.04 7.59 8.16 1dwiM1 TRP 285 HZ2 -0.37 0.02 -0.27 -0.04 7.44 6.78 1dwiM1 TRP 285 HZ3 -0.38 -0.05 -0.01 -0.04 7.13 6.65 1dwiM1 TRP 285 HH2 -0.38 -0.11 -0.15 -0.04 7.19 6.51 1dwiM1 PHE 286 H 0.18 0.24 -0.38 -0.55 8.34 7.83 1dwiM1 PHE 286 HA 0.06 0.18 0.88 -0.75 4.62 4.98 1dwiM1 PHE 286 HB2 -0.03 0.06 0.07 -0.04 3.15 3.21 1dwiM1 PHE 286 HB3 -0.10 -0.02 0.01 -0.04 3.06 2.90 1dwiM1 PHE 286 HD2 -0.11 0.10 -0.02 -0.04 7.28 7.21 1dwiM1 PHE 286 HE2 -0.47 0.03 -0.03 -0.04 7.38 6.87 1dwiM1 PHE 286 HZ -1.42 0.01 -0.09 -0.04 7.32 5.78 1dwiM1 MET 287 H 0.10 0.54 0.17 -0.55 8.47 8.72 1dwiM1 MET 287 HA -0.17 0.06 0.40 -0.75 4.52 4.07 1dwiM1 MET 287 HB2 -0.50 -0.04 -0.09 -0.04 2.15 1.48 1dwiM1 MET 287 HB3 -1.58 0.05 -0.05 -0.04 2.03 0.41 1dwiM1 MET 287 HG2 0.00 0.05 0.04 -0.04 2.63 2.68 1dwiM1 MET 287 HG3 -0.50 -0.02 -0.05 -0.04 2.56 1.95 1dwiM1 MET 287 HE3 -0.34 0.02 -0.05 -0.04 2.10 1.69 1dwiM1 GLY 288 H 0.09 0.52 -0.04 -0.55 8.43 8.46 1dwiM1 GLY 288 HA2 0.14 0.00 0.51 -0.51 4.01 4.15 1dwiM1 GLY 288 HA3 0.11 0.10 0.32 -0.51 4.01 4.04 1dwiM1 PRO 289 HA -0.25 -0.15 0.33 -0.51 4.44 3.86 1dwiM1 PRO 289 HB2 -0.06 0.10 0.01 -0.04 2.28 2.30 1dwiM1 PRO 289 HB3 -0.43 -0.04 -0.10 -0.04 2.02 1.42 1dwiM1 PRO 289 HG2 -0.00 0.17 0.02 -0.04 2.03 2.18 1dwiM1 PRO 289 HG3 -0.39 -0.12 -0.39 -0.04 2.03 1.09 1dwiM1 PRO 289 HD2 0.08 -0.00 -0.48 -0.04 3.68 3.23 1dwiM1 PRO 289 HD3 0.11 0.08 -0.00 -0.04 3.65 3.80 1dwiM1 LEU 290 H -0.01 0.52 -0.20 -0.55 8.37 8.14 1dwiM1 LEU 290 HA 0.06 0.20 0.33 -0.75 4.35 4.18 1dwiM1 LEU 290 HB2 -0.06 0.01 0.08 -0.04 1.64 1.63 1dwiM1 LEU 290 HB3 0.05 -0.01 0.01 -0.04 1.64 1.65 1dwiM1 LEU 290 HG 0.00 0.09 0.05 -0.04 1.64 1.74 1dwiM1 LEU 290 HD13 -0.14 -0.05 -0.12 -0.04 0.93 0.58 1dwiM1 LEU 290 HD23 0.01 0.02 0.01 -0.04 0.89 0.89 1dwiM1 THR 291 H 0.05 0.36 -0.33 -0.55 8.28 7.81 1dwiM1 THR 291 HA 0.17 0.15 0.95 -0.75 4.39 4.90 1dwiM1 THR 291 HB 0.37 -0.03 0.08 -0.04 4.32 4.70 1dwiM1 THR 291 HG23 0.27 -0.01 -0.06 -0.04 1.22 1.38 1dwiM1 ASN 292 H 0.01 0.35 0.08 -0.55 8.53 8.42 1dwiM1 ASN 292 HA -0.01 0.20 0.97 -0.75 4.76 5.17 1dwiM1 ASN 292 HB2 0.11 -0.02 -0.13 -0.04 2.88 2.80 1dwiM1 ASN 292 HB3 0.04 -0.01 -0.02 -0.04 2.79 2.75 1dwiM1 ASN 292 HD21 0.04 -0.06 -0.04 -0.04 7.03 6.93 1dwiM1 ASN 292 HD22 0.04 -0.02 -0.13 -0.04 7.74 7.59 1dwiM1 GLY 293 H -0.11 0.43 0.23 -0.55 8.43 8.43 1dwiM1 GLY 293 HA2 -0.35 0.07 0.41 -0.51 4.01 3.63 1dwiM1 GLY 293 HA3 -0.17 0.08 0.53 -0.51 4.01 3.95 1dwiM1 THR 294 H -0.09 0.27 -0.35 -0.55 8.28 7.56 1dwiM1 THR 294 HA 0.02 0.10 0.75 -0.75 4.39 4.50 1dwiM1 THR 294 HB 0.08 0.01 -0.04 -0.04 4.32 4.33 1dwiM1 THR 294 HG23 0.03 0.03 -0.25 -0.04 1.22 0.99 1dwiM1 TYR 295 H 0.17 0.11 0.06 -0.55 8.29 8.08 1dwiM1 TYR 295 HA 0.13 0.21 0.57 -0.75 4.56 4.71 1dwiM1 TYR 295 HB2 0.05 -0.03 0.00 -0.04 3.06 3.04 1dwiM1 TYR 295 HB3 -0.01 -0.01 -0.00 -0.04 2.98 2.92 1dwiM1 TYR 295 HD2 0.17 0.07 0.06 -0.04 7.15 7.41 1dwiM1 TYR 295 HE2 0.08 0.15 -0.03 -0.04 6.85 7.00 1dwiM1 PRO 296 HA 0.07 0.10 0.41 -0.51 4.44 4.50 1dwiM1 PRO 296 HB2 -0.11 -0.20 -0.06 -0.04 2.28 1.87 1dwiM1 PRO 296 HB3 0.03 0.03 0.07 -0.04 2.02 2.11 1dwiM1 PRO 296 HG2 0.03 0.14 -0.15 -0.04 2.03 2.01 1dwiM1 PRO 296 HG3 0.12 0.08 0.04 -0.04 2.03 2.23 1dwiM1 PRO 296 HD2 0.11 0.05 0.07 -0.04 3.68 3.87 1dwiM1 PRO 296 HD3 0.23 0.36 0.14 -0.04 3.65 4.35 1dwiM1 GLN 297 H 0.03 0.20 0.16 -0.55 8.47 8.31 1dwiM1 GLN 297 HA 0.01 0.13 0.28 -0.75 4.36 4.03 1dwiM1 GLN 297 HB2 0.02 0.08 0.13 -0.04 2.15 2.35 1dwiM1 GLN 297 HB3 0.02 -0.02 0.09 -0.04 2.02 2.07 1dwiM1 GLN 297 HG2 0.01 0.03 -0.01 -0.04 2.40 2.39 1dwiM1 GLN 297 HG3 0.00 -0.04 -0.08 -0.04 2.39 2.22 1dwiM1 GLN 297 HE21 0.01 0.05 -0.02 -0.04 6.97 6.96 1dwiM1 GLN 297 HE22 -0.00 -0.05 -0.00 -0.04 7.69 7.60 1dwiM1 ILE 298 H -0.03 0.10 -0.19 -0.55 8.25 7.58 1dwiM1 ILE 298 HA 0.00 0.09 0.36 -0.75 4.18 3.88 1dwiM1 ILE 298 HB 0.03 -0.00 0.05 -0.04 1.89 1.93 1dwiM1 ILE 298 HG12 0.16 0.03 -0.02 -0.04 1.49 1.62 1dwiM1 ILE 298 HG13 0.27 0.05 -0.12 -0.04 1.21 1.37 1dwiM1 ILE 298 HG23 -0.08 0.01 -0.09 -0.04 0.93 0.73 1dwiM1 ILE 298 HD13 0.06 0.00 0.03 -0.04 0.88 0.94 1dwiM1 MET 299 H -0.25 0.13 -0.38 -0.55 8.47 7.42 1dwiM1 MET 299 HA -0.42 0.07 0.57 -0.75 4.52 3.99 1dwiM1 MET 299 HB2 -0.29 0.14 0.00 -0.04 2.15 1.97 1dwiM1 MET 299 HB3 -0.54 0.02 -0.05 -0.04 2.03 1.42 1dwiM1 MET 299 HG2 -2.11 0.00 -0.09 -0.04 2.63 0.39 1dwiM1 MET 299 HG3 -0.76 -0.10 -0.13 -0.04 2.56 1.53 1dwiM1 MET 299 HE3 -1.09 0.01 -0.01 -0.04 2.10 0.97 1dwiM1 ILE 300 H -0.09 0.50 -0.15 -0.55 8.25 7.97 1dwiM1 ILE 300 HA -0.10 0.06 0.37 -0.75 4.18 3.75 1dwiM1 ILE 300 HB -0.01 0.05 0.12 -0.04 1.89 2.01 1dwiM1 ILE 300 HG12 0.07 0.00 -0.05 -0.04 1.49 1.47 1dwiM1 ILE 300 HG13 0.05 0.08 -0.18 -0.04 1.21 1.12 1dwiM1 ILE 300 HG23 -0.01 -0.01 -0.13 -0.04 0.93 0.74 1dwiM1 ILE 300 HD13 0.07 -0.03 -0.10 -0.04 0.88 0.78 1dwiM1 ASP 301 H -0.04 0.58 -0.20 -0.55 8.40 8.19 1dwiM1 ASP 301 HA -0.03 0.02 0.37 -0.75 4.63 4.23 1dwiM1 ASP 301 HB2 -0.00 0.06 0.13 -0.04 2.71 2.86 1dwiM1 ASP 301 HB3 -0.01 -0.05 -0.02 -0.04 2.70 2.59 1dwiM1 THR 302 H -0.02 0.46 -0.13 -0.55 8.28 8.05 1dwiM1 THR 302 HA -0.01 0.02 0.42 -0.75 4.39 4.07 1dwiM1 THR 302 HB 0.20 -0.02 0.13 -0.04 4.32 4.59 1dwiM1 THR 302 HG23 0.03 0.05 -0.06 -0.04 1.22 1.19 1dwiM1 VAL 303 H -0.12 0.60 0.01 -0.55 8.24 8.17 1dwiM1 VAL 303 HA -0.16 0.03 0.52 -0.75 4.13 3.77 1dwiM1 VAL 303 HB -0.43 0.17 0.04 -0.04 2.12 1.85 1dwiM1 VAL 303 HG13 -0.97 -0.05 -0.16 -0.04 0.97 -0.25 1dwiM1 VAL 303 HG23 -0.24 -0.03 0.02 -0.04 0.95 0.67 1dwiM1 GLY 304 H -0.13 0.41 -0.23 -0.55 8.43 7.92 1dwiM1 GLY 304 HA2 -0.09 0.13 0.29 -0.51 4.01 3.84 1dwiM1 GLY 304 HA3 -0.09 -0.04 0.21 -0.51 4.01 3.59 1dwiM1 GLU 305 H -0.08 0.12 0.20 -0.55 8.60 8.29 1dwiM1 GLU 305 HA -0.08 0.10 0.37 -0.75 4.29 3.93 1dwiM1 GLU 305 HB2 -0.05 0.00 0.12 -0.04 2.09 2.11 1dwiM1 GLU 305 HB3 -0.06 0.00 0.10 -0.04 1.99 1.99 1dwiM1 GLU 305 HG2 -0.06 0.04 -0.11 -0.04 2.34 2.17 1dwiM1 GLU 305 HG3 -0.05 -0.01 0.07 -0.04 2.34 2.32 1dwiM1 ARG 306 H -0.15 0.46 -0.29 -0.55 8.46 7.93 1dwiM1 ARG 306 HA -0.09 0.03 0.59 -0.75 4.34 4.11 1dwiM1 ARG 306 HB2 -0.21 0.19 0.08 -0.04 1.90 1.92 1dwiM1 ARG 306 HB3 -0.08 -0.03 0.15 -0.04 1.80 1.80 1dwiM1 ARG 306 HG2 -0.03 -0.08 -0.02 -0.04 1.67 1.50 1dwiM1 ARG 306 HG3 -0.07 -0.05 -0.02 -0.04 1.67 1.49 1dwiM1 ARG 306 HD2 0.07 0.13 -0.13 -0.04 3.22 3.25 1dwiM1 ARG 306 HD3 -0.01 -0.08 -0.07 -0.04 3.22 3.02 1dwiM1 LEU 307 H -0.23 0.53 -0.48 -0.55 8.37 7.64 1dwiM1 LEU 307 HA -0.40 0.12 0.74 -0.75 4.35 4.05 1dwiM1 LEU 307 HB2 -0.47 -0.10 -0.13 -0.04 1.64 0.89 1dwiM1 LEU 307 HB3 -0.24 0.08 0.02 -0.04 1.64 1.46 1dwiM1 LEU 307 HG -0.38 0.20 -0.17 -0.04 1.64 1.24 1dwiM1 LEU 307 HD13 -0.86 -0.01 -0.03 -0.04 0.93 -0.01 1dwiM1 LEU 307 HD23 -0.26 -0.03 -0.24 -0.04 0.89 0.32 1dwiM1 PRO 308 HA -0.23 0.03 0.36 -0.51 4.44 4.09 1dwiM1 PRO 308 HB2 -1.53 -0.00 -0.08 -0.04 2.28 0.63 1dwiM1 PRO 308 HB3 -0.58 -0.01 0.07 -0.04 2.02 1.45 1dwiM1 PRO 308 HG2 -0.32 0.05 -0.01 -0.04 2.03 1.71 1dwiM1 PRO 308 HG3 -0.23 0.03 -0.04 -0.04 2.03 1.75 1dwiM1 PRO 308 HD2 -0.20 0.06 0.14 -0.04 3.68 3.64 1dwiM1 PRO 308 HD3 -0.14 0.33 0.20 -0.04 3.65 4.00 1dwiM1 SER 309 H -0.16 0.08 0.16 -0.55 8.46 7.99 1dwiM1 SER 309 HA 0.00 0.20 0.89 -0.75 4.49 4.83 1dwiM1 SER 309 HB2 0.05 0.00 -0.03 -0.04 3.95 3.92 1dwiM1 SER 309 HB3 0.01 0.00 0.04 -0.04 3.93 3.94 1dwiM1 PHE 310 H 0.21 0.20 0.15 -0.55 8.34 8.35 1dwiM1 PHE 310 HA 0.19 0.08 0.82 -0.75 4.62 4.96 1dwiM1 PHE 310 HB2 0.03 0.08 0.10 -0.04 3.15 3.32 1dwiM1 PHE 310 HB3 0.03 -0.06 -0.08 -0.04 3.06 2.90 1dwiM1 PHE 310 HD2 -0.07 -0.06 -0.04 -0.04 7.28 7.07 1dwiM1 PHE 310 HE2 -0.73 -0.03 -0.13 -0.04 7.38 6.44 1dwiM1 PHE 310 HZ -0.27 0.02 -0.09 -0.04 7.32 6.94 1dwiM1 SER 311 H 0.19 0.08 0.12 -0.55 8.46 8.30 1dwiM1 SER 311 HA 0.09 0.20 0.52 -0.75 4.49 4.54 1dwiM1 SER 311 HB2 0.06 0.06 0.15 -0.04 3.95 4.18 1dwiM1 SER 311 HB3 0.08 0.09 0.11 -0.04 3.93 4.17 1dwiM1 PRO 312 HA 0.04 0.17 0.38 -0.51 4.44 4.52 1dwiM1 PRO 312 HB2 0.03 -0.01 0.10 -0.04 2.28 2.35 1dwiM1 PRO 312 HB3 0.02 0.09 0.10 -0.04 2.02 2.19 1dwiM1 PRO 312 HG2 0.03 0.05 0.10 -0.04 2.03 2.17 1dwiM1 PRO 312 HG3 0.04 0.11 0.09 -0.04 2.03 2.23 1dwiM1 PRO 312 HD2 0.04 0.06 0.23 -0.04 3.68 3.97 1dwiM1 PRO 312 HD3 0.05 0.18 0.24 -0.04 3.65 4.08 1dwiM1 GLU 313 H 0.04 0.08 -0.14 -0.55 8.60 8.04 1dwiM1 GLU 313 HA 0.02 0.14 0.38 -0.75 4.29 4.07 1dwiM1 GLU 313 HB2 0.02 0.02 0.08 -0.04 2.09 2.17 1dwiM1 GLU 313 HB3 0.04 -0.08 0.06 -0.04 1.99 1.97 1dwiM1 GLU 313 HG2 0.03 0.01 -0.26 -0.04 2.34 2.08 1dwiM1 GLU 313 HG3 0.01 0.05 0.01 -0.04 2.34 2.38 1dwiM1 GLU 314 H 0.08 -0.02 -0.26 -0.55 8.60 7.86 1dwiM1 GLU 314 HA 0.07 0.08 0.44 -0.75 4.29 4.12 1dwiM1 GLU 314 HB2 0.24 -0.06 0.14 -0.04 2.09 2.37 1dwiM1 GLU 314 HB3 0.30 0.08 0.00 -0.04 1.99 2.33 1dwiM1 GLU 314 HG2 0.12 0.06 0.03 -0.04 2.34 2.50 1dwiM1 GLU 314 HG3 0.10 -0.08 0.03 -0.04 2.34 2.35 1dwiM1 SER 315 H 0.07 0.61 -0.18 -0.55 8.46 8.41 1dwiM1 SER 315 HA -0.33 0.04 0.53 -0.75 4.49 3.97 1dwiM1 SER 315 HB2 0.02 -0.00 0.08 -0.04 3.95 4.00 1dwiM1 SER 315 HB3 0.00 0.02 0.11 -0.04 3.93 4.02 1dwiM1 ASN 316 H -0.02 0.42 -0.18 -0.55 8.53 8.20 1dwiM1 ASN 316 HA -0.05 0.09 0.47 -0.75 4.76 4.51 1dwiM1 ASN 316 HB2 -0.02 -0.03 0.10 -0.04 2.88 2.89 1dwiM1 ASN 316 HB3 -0.01 0.04 0.12 -0.04 2.79 2.90 1dwiM1 ASN 316 HD21 -0.02 -0.03 -0.11 -0.04 7.03 6.83 1dwiM1 ASN 316 HD22 -0.01 -0.00 -0.18 -0.04 7.74 7.50 1dwiM1 LEU 317 H -0.02 0.31 -0.23 -0.55 8.37 7.89 1dwiM1 LEU 317 HA -0.02 0.05 0.47 -0.75 4.35 4.09 1dwiM1 LEU 317 HB2 0.01 -0.02 0.09 -0.04 1.64 1.67 1dwiM1 LEU 317 HB3 0.01 0.05 0.15 -0.04 1.64 1.81 1dwiM1 LEU 317 HG 0.01 0.03 -0.30 -0.04 1.64 1.33 1dwiM1 LEU 317 HD13 -0.00 -0.01 -0.04 -0.04 0.93 0.84 1dwiM1 LEU 317 HD23 0.03 -0.05 -0.09 -0.04 0.89 0.75 1dwiM1 VAL 318 H -0.10 0.44 -0.15 -0.55 8.24 7.88 1dwiM1 VAL 318 HA 0.02 -0.01 0.44 -0.75 4.13 3.83 1dwiM1 VAL 318 HB -0.37 0.07 0.08 -0.04 2.12 1.86 1dwiM1 VAL 318 HG13 -0.11 0.00 -0.26 -0.04 0.97 0.56 1dwiM1 VAL 318 HG23 -0.05 0.02 -0.08 -0.04 0.95 0.80 1dwiM1 LYS 319 H -0.11 0.53 -0.06 -0.55 8.42 8.22 1dwiM1 LYS 319 HA -0.03 0.05 0.35 -0.75 4.32 3.93 1dwiM1 LYS 319 HB2 -0.09 -0.05 -0.13 -0.04 1.87 1.55 1dwiM1 LYS 319 HB3 -0.07 0.02 0.05 -0.04 1.79 1.76 1dwiM1 LYS 319 HG2 -0.06 0.03 -0.38 -0.04 1.46 1.00 1dwiM1 LYS 319 HG3 -0.05 -0.02 -0.54 -0.04 1.46 0.81 1dwiM1 LYS 319 HD2 -0.05 0.06 -0.27 -0.04 1.69 1.38 1dwiM1 LYS 319 HD3 -0.05 -0.07 -0.13 -0.04 1.68 1.39 1dwiM1 LYS 319 HE2 -0.09 -0.01 -0.06 -0.04 2.99 2.79 1dwiM1 LYS 319 HE3 -0.08 0.18 0.06 -0.04 2.99 3.10 1dwiM1 GLY 320 H 0.07 0.70 0.32 -0.55 8.43 8.96 1dwiM1 GLY 320 HA2 -0.18 0.01 0.40 -0.51 4.01 3.73 1dwiM1 GLY 320 HA3 -0.11 0.02 0.52 -0.51 4.01 3.93 1dwiM1 SER 321 H 0.13 0.42 -0.10 -0.55 8.46 8.36 1dwiM1 SER 321 HA 0.01 0.08 0.23 -0.75 4.49 4.06 1dwiM1 SER 321 HB2 0.02 -0.20 0.17 -0.04 3.95 3.90 1dwiM1 SER 321 HB3 0.05 0.34 0.11 -0.04 3.93 4.39 1dwiM1 TYR 322 H -0.20 0.78 0.08 -0.55 8.29 8.40 1dwiM1 TYR 322 HA 0.03 0.02 0.72 -0.75 4.56 4.58 1dwiM1 TYR 322 HB2 -0.03 0.15 0.22 -0.04 3.06 3.36 1dwiM1 TYR 322 HB3 0.06 -0.00 -0.01 -0.04 2.98 2.99 1dwiM1 TYR 322 HD2 0.08 -0.06 -0.42 -0.04 7.15 6.70 1dwiM1 TYR 322 HE2 0.09 0.09 -0.13 -0.04 6.85 6.86 1dwiM1 ASP 323 H 0.10 0.70 0.48 -0.55 8.40 9.14 1dwiM1 ASP 323 HA 0.07 0.21 1.00 -0.75 4.63 5.16 1dwiM1 ASP 323 HB2 0.31 -0.11 0.18 -0.04 2.71 3.06 1dwiM1 ASP 323 HB3 0.23 0.02 0.14 -0.04 2.70 3.05 1dwiM1 PHE 324 H 0.08 0.29 0.25 -0.55 8.34 8.42 1dwiM1 PHE 324 HA 0.30 0.22 0.55 -0.75 4.62 4.93 1dwiM1 PHE 324 HB2 0.32 0.04 -0.14 -0.04 3.15 3.33 1dwiM1 PHE 324 HB3 0.31 0.08 -0.18 -0.04 3.06 3.24 1dwiM1 PHE 324 HD2 0.27 0.03 -0.48 -0.04 7.28 7.07 1dwiM1 PHE 324 HE2 0.15 -0.02 -0.46 -0.04 7.38 7.01 1dwiM1 PHE 324 HZ 0.15 -0.04 -0.34 -0.04 7.32 7.05 1dwiM1 LEU 325 H 0.34 0.70 0.34 -0.55 8.37 9.20 1dwiM1 LEU 325 HA -0.09 0.18 0.98 -0.75 4.35 4.67 1dwiM1 LEU 325 HB2 0.03 -0.01 0.03 -0.04 1.64 1.64 1dwiM1 LEU 325 HB3 -0.06 -0.07 -0.11 -0.04 1.64 1.36 1dwiM1 LEU 325 HG -0.09 0.04 -0.23 -0.04 1.64 1.31 1dwiM1 LEU 325 HD13 0.10 0.00 -0.11 -0.04 0.93 0.88 1dwiM1 LEU 325 HD23 -0.57 0.03 -0.11 -0.04 0.89 0.20 1dwiM1 GLY 326 H 0.01 0.66 0.24 -0.55 8.43 8.79 1dwiM1 GLY 326 HA2 0.23 0.29 0.92 -0.51 4.01 4.94 1dwiM1 GLY 326 HA3 0.15 -0.08 0.33 -0.51 4.01 3.90 1dwiM1 LEU 327 H 0.02 0.71 0.29 -0.55 8.37 8.85 1dwiM1 LEU 327 HA -0.07 0.15 0.98 -0.75 4.35 4.65 1dwiM1 LEU 327 HB2 -0.09 -0.00 0.06 -0.04 1.64 1.57 1dwiM1 LEU 327 HB3 -0.16 0.02 -0.07 -0.04 1.64 1.39 1dwiM1 LEU 327 HG -0.17 0.07 -0.25 -0.04 1.64 1.25 1dwiM1 LEU 327 HD13 -0.67 0.01 -0.14 -0.04 0.93 0.09 1dwiM1 LEU 327 HD23 -0.35 0.01 -0.22 -0.04 0.89 0.29 1dwiM1 ASN 328 H -0.02 0.72 0.36 -0.55 8.53 9.04 1dwiM1 ASN 328 HA -0.08 0.12 0.97 -0.75 4.76 5.01 1dwiM1 ASN 328 HB2 -0.01 -0.03 0.18 -0.04 2.88 2.98 1dwiM1 ASN 328 HB3 -0.02 0.01 -0.04 -0.04 2.79 2.69 1dwiM1 ASN 328 HD21 -0.15 -0.03 -0.18 -0.04 7.03 6.63 1dwiM1 ASN 328 HD22 -0.09 -0.03 -0.14 -0.04 7.74 7.44 1dwiM1 TYR 329 H -0.23 0.69 0.29 -0.55 8.29 8.50 1dwiM1 TYR 329 HA -0.06 0.25 0.90 -0.75 4.56 4.90 1dwiM1 TYR 329 HB2 -0.03 0.04 -0.24 -0.04 3.06 2.79 1dwiM1 TYR 329 HB3 -0.05 0.03 0.01 -0.04 2.98 2.93 1dwiM1 TYR 329 HD2 0.03 0.04 -0.27 -0.04 7.15 6.90 1dwiM1 TYR 329 HE2 0.24 -0.06 -0.25 -0.04 6.85 6.73 1dwiM1 TYR 330 H -0.73 0.18 0.22 -0.55 8.29 7.41 1dwiM1 TYR 330 HA -0.20 0.19 0.99 -0.75 4.56 4.78 1dwiM1 TYR 330 HB2 -0.67 -0.01 0.06 -0.04 3.06 2.40 1dwiM1 TYR 330 HB3 -0.35 0.03 -0.02 -0.04 2.98 2.60 1dwiM1 TYR 330 HD2 0.01 0.16 -0.04 -0.04 7.15 7.23 1dwiM1 TYR 330 HE2 -0.09 -0.02 -0.18 -0.04 6.85 6.52 1dwiM1 PHE 331 H -0.89 0.23 0.27 -0.55 8.34 7.39 1dwiM1 PHE 331 HA -0.01 0.06 0.67 -0.75 4.62 4.59 1dwiM1 PHE 331 HB2 0.01 0.14 0.19 -0.04 3.15 3.45 1dwiM1 PHE 331 HB3 -0.43 0.11 -0.21 -0.04 3.06 2.49 1dwiM1 PHE 331 HD2 -0.47 0.05 -0.36 -0.04 7.28 6.46 1dwiM1 PHE 331 HE2 0.03 0.00 -0.14 -0.04 7.38 7.22 1dwiM1 PHE 331 HZ 0.09 0.00 -0.11 -0.04 7.32 7.27 1dwiM1 THR 332 H 0.39 0.29 0.22 -0.55 8.28 8.63 1dwiM1 THR 332 HA -0.03 0.24 0.92 -0.75 4.39 4.77 1dwiM1 THR 332 HB 0.16 0.00 -0.00 -0.04 4.32 4.44 1dwiM1 THR 332 HG23 -0.18 0.01 -0.40 -0.04 1.22 0.61 1dwiM1 GLN 333 H -0.29 0.55 0.31 -0.55 8.47 8.49 1dwiM1 GLN 333 HA -0.25 0.26 1.10 -0.75 4.36 4.71 1dwiM1 GLN 333 HB2 0.07 -0.03 -0.01 -0.04 2.15 2.14 1dwiM1 GLN 333 HB3 -0.12 0.08 0.03 -0.04 2.02 1.97 1dwiM1 GLN 333 HG2 -0.54 0.04 -0.15 -0.04 2.40 1.71 1dwiM1 GLN 333 HG3 0.15 -0.09 -0.54 -0.04 2.39 1.87 1dwiM1 GLN 333 HE21 0.18 -0.01 -0.11 -0.04 6.97 6.99 1dwiM1 GLN 333 HE22 0.02 0.03 -0.15 -0.04 7.69 7.54 1dwiM1 TYR 334 H -0.14 0.66 0.31 -0.55 8.29 8.58 1dwiM1 TYR 334 HA -0.01 0.28 0.80 -0.75 4.56 4.87 1dwiM1 TYR 334 HB2 0.02 -0.01 -0.07 -0.04 3.06 2.96 1dwiM1 TYR 334 HB3 0.12 -0.09 -0.14 -0.04 2.98 2.83 1dwiM1 TYR 334 HD2 -0.01 -0.01 -0.64 -0.04 7.15 6.44 1dwiM1 TYR 334 HE2 -0.01 0.08 -0.21 -0.04 6.85 6.66 1dwiM1 ALA 335 H 0.14 0.47 0.36 -0.55 8.40 8.83 1dwiM1 ALA 335 HA -0.02 0.39 1.03 -0.75 4.34 4.98 1dwiM1 ALA 335 HB3 -0.06 0.00 -0.18 -0.04 1.41 1.14 1dwiM1 GLN 336 H -0.09 0.66 0.37 -0.55 8.47 8.86 1dwiM1 GLN 336 HA 0.00 0.01 0.86 -0.75 4.36 4.48 1dwiM1 GLN 336 HB2 -0.15 0.00 0.14 -0.04 2.15 2.11 1dwiM1 GLN 336 HB3 -0.33 -0.11 -0.06 -0.04 2.02 1.48 1dwiM1 GLN 336 HG2 -0.26 0.15 0.04 -0.04 2.40 2.29 1dwiM1 GLN 336 HG3 -0.20 0.22 -0.18 -0.04 2.39 2.18 1dwiM1 GLN 336 HE21 -0.34 -0.03 -0.04 -0.04 6.97 6.52 1dwiM1 GLN 336 HE22 -0.23 0.09 -0.03 -0.04 7.69 7.49 1dwiM1 PRO 337 HA -0.06 0.37 0.64 -0.51 4.44 4.88 1dwiM1 PRO 337 HB2 -0.07 0.02 -0.10 -0.04 2.28 2.09 1dwiM1 PRO 337 HB3 -0.02 0.07 0.10 -0.04 2.02 2.13 1dwiM1 PRO 337 HG2 -0.05 0.02 0.03 -0.04 2.03 2.00 1dwiM1 PRO 337 HG3 0.04 -0.09 -0.06 -0.04 2.03 1.88 1dwiM1 PRO 337 HD2 -0.01 0.05 0.19 -0.04 3.68 3.87 1dwiM1 PRO 337 HD3 0.03 0.05 -0.06 -0.04 3.65 3.63 1dwiM1 SER 338 H -0.08 0.64 0.08 -0.55 8.46 8.56 1dwiM1 SER 338 HA -0.07 0.09 0.57 -0.75 4.49 4.32 1dwiM1 SER 338 HB2 -0.09 0.00 -0.46 -0.04 3.95 3.36 1dwiM1 SER 338 HB3 -0.09 0.00 -0.45 -0.04 3.93 3.35 1dwiM1 PRO 339 HA -0.05 0.06 0.41 -0.51 4.44 4.35 1dwiM1 PRO 339 HB2 -0.03 0.01 -0.09 -0.04 2.28 2.13 1dwiM1 PRO 339 HB3 -0.04 0.01 0.04 -0.04 2.02 1.99 1dwiM1 PRO 339 HG2 -0.04 0.03 0.03 -0.04 2.03 2.02 1dwiM1 PRO 339 HG3 -0.04 0.03 0.03 -0.04 2.03 2.00 1dwiM1 PRO 339 HD2 -0.05 0.12 0.14 -0.04 3.68 3.84 1dwiM1 PRO 339 HD3 -0.06 0.13 0.13 -0.04 3.65 3.82 1dwiM1 ASN 340 H -0.03 0.12 0.09 -0.55 8.53 8.17 1dwiM1 ASN 340 HA 0.02 0.24 0.85 -0.75 4.76 5.12 1dwiM1 ASN 340 HB2 -0.05 0.16 -0.01 -0.04 2.88 2.94 1dwiM1 ASN 340 HB3 -0.03 -0.07 0.20 -0.04 2.79 2.86 1dwiM1 ASN 340 HD21 0.05 -0.00 -0.06 -0.04 7.03 6.98 1dwiM1 ASN 340 HD22 -0.02 0.03 0.03 -0.04 7.74 7.74 1dwiM1 PRO 341 HA -0.03 0.09 0.42 -0.51 4.44 4.41 1dwiM1 PRO 341 HB2 0.01 -0.09 0.14 -0.04 2.28 2.30 1dwiM1 PRO 341 HB3 -0.00 0.05 0.01 -0.04 2.02 2.04 1dwiM1 PRO 341 HG2 0.11 -0.01 0.04 -0.04 2.03 2.13 1dwiM1 PRO 341 HG3 0.02 0.07 -0.01 -0.04 2.03 2.07 1dwiM1 PRO 341 HD2 0.09 0.14 0.05 -0.04 3.68 3.91 1dwiM1 PRO 341 HD3 0.01 0.19 -0.30 -0.04 3.65 3.51 1dwiM1 VAL 342 H -0.15 0.40 0.22 -0.55 8.24 8.17 1dwiM1 VAL 342 HA -1.15 0.06 0.11 -0.75 4.13 2.40 1dwiM1 VAL 342 HB -0.20 0.00 0.10 -0.04 2.12 1.98 1dwiM1 VAL 342 HG13 -0.29 0.01 -0.02 -0.04 0.97 0.63 1dwiM1 VAL 342 HG23 -0.24 0.05 0.01 -0.04 0.95 0.72 1dwiM1 ASN 343 H -0.10 0.01 -0.26 -0.55 8.53 7.63 1dwiM1 ASN 343 HA -0.08 0.18 0.61 -0.75 4.76 4.72 1dwiM1 ASN 343 HB2 -0.04 -0.03 -0.06 -0.04 2.88 2.71 1dwiM1 ASN 343 HB3 -0.04 0.00 0.08 -0.04 2.79 2.79 1dwiM1 ASN 343 HD21 -0.05 0.02 -0.01 -0.04 7.03 6.96 1dwiM1 ASN 343 HD22 -0.04 -0.01 -0.01 -0.04 7.74 7.63 1dwiM1 SER 344 H -0.03 0.46 -0.23 -0.55 8.46 8.12 1dwiM1 SER 344 HA -0.00 0.03 0.48 -0.75 4.49 4.25 1dwiM1 SER 344 HB2 0.05 0.00 0.10 -0.04 3.95 4.06 1dwiM1 SER 344 HB3 0.02 0.00 -0.04 -0.04 3.93 3.87 1dwiM1 THR 345 H 0.00 0.14 0.18 -0.55 8.28 8.05 1dwiM1 THR 345 HA 0.01 0.15 0.36 -0.75 4.39 4.15 1dwiM1 THR 345 HB 0.00 -0.03 0.10 -0.04 4.32 4.35 1dwiM1 THR 345 HG23 -0.00 0.02 0.08 -0.04 1.22 1.27 1dwiM1 ASN 346 H 0.02 0.01 -0.34 -0.55 8.53 7.68 1dwiM1 ASN 346 HA 0.00 0.12 0.60 -0.75 4.76 4.72 1dwiM1 ASN 346 HB2 -0.01 0.08 -0.03 -0.04 2.88 2.88 1dwiM1 ASN 346 HB3 -0.00 -0.03 -0.14 -0.04 2.79 2.58 1dwiM1 ASN 346 HD21 -0.00 -0.02 -0.04 -0.04 7.03 6.93 1dwiM1 ASN 346 HD22 -0.00 0.09 -0.03 -0.04 7.74 7.75 1dwiM1 HIS 347 H 0.11 0.48 -0.53 -0.55 8.41 7.93 1dwiM1 HIS 347 HA -0.02 -0.02 0.23 -0.75 4.63 4.06 1dwiM1 HIS 347 HB2 -0.02 0.15 0.04 -0.04 3.26 3.39 1dwiM1 HIS 347 HB3 -0.02 -0.02 -0.01 -0.04 3.20 3.11 1dwiM1 HIS 347 HD2 -0.04 -0.05 -0.37 -0.04 6.97 6.46 1dwiM1 HIS 347 HE1 0.01 0.02 -0.15 -0.04 7.75 7.59 1dwiM1 THR 348 H -0.53 0.14 0.18 -0.55 8.28 7.52 1dwiM1 THR 348 HA -0.18 0.22 0.68 -0.75 4.39 4.36 1dwiM1 THR 348 HB -0.13 -0.02 0.14 -0.04 4.32 4.26 1dwiM1 THR 348 HG23 -0.09 0.07 -0.10 -0.04 1.22 1.06 1dwiM1 ALA 349 H -0.15 0.64 0.31 -0.55 8.40 8.65 1dwiM1 ALA 349 HA 0.01 0.12 0.48 -0.75 4.34 4.20 1dwiM1 ALA 349 HB3 -0.41 0.02 0.09 -0.04 1.41 1.07 1dwiM1 MET 350 H -0.14 0.08 -0.24 -0.55 8.47 7.62 1dwiM1 MET 350 HA -0.04 0.10 0.33 -0.75 4.52 4.15 1dwiM1 MET 350 HB2 -0.05 0.01 -0.00 -0.04 2.15 2.07 1dwiM1 MET 350 HB3 0.04 0.05 0.04 -0.04 2.03 2.11 1dwiM1 MET 350 HG2 0.07 0.02 0.00 -0.04 2.63 2.68 1dwiM1 MET 350 HG3 0.03 0.04 -0.01 -0.04 2.56 2.58 1dwiM1 MET 350 HE3 -0.04 0.00 -0.03 -0.04 2.10 1.99 1dwiM1 MET 351 H -0.23 0.33 -0.38 -0.55 8.47 7.63 1dwiM1 MET 351 HA -0.12 0.11 0.60 -0.75 4.52 4.36 1dwiM1 MET 351 HB2 -0.34 0.16 0.07 -0.04 2.15 2.00 1dwiM1 MET 351 HB3 -0.04 0.02 0.09 -0.04 2.03 2.05 1dwiM1 MET 351 HG2 -0.08 0.06 0.03 -0.04 2.63 2.59 1dwiM1 MET 351 HG3 -0.17 -0.10 0.03 -0.04 2.56 2.28 1dwiM1 MET 351 HE3 -0.05 0.02 -0.04 -0.04 2.10 1.99 1dwiM1 ASP 352 H -0.13 0.50 -0.28 -0.55 8.40 7.95 1dwiM1 ASP 352 HA -0.05 0.04 0.30 -0.75 4.63 4.16 1dwiM1 ASP 352 HB2 0.01 0.16 0.12 -0.04 2.71 2.97 1dwiM1 ASP 352 HB3 0.06 -0.04 -0.01 -0.04 2.70 2.66 1dwiM1 ALA 353 H -0.52 0.23 -0.39 -0.55 8.40 7.17 1dwiM1 ALA 353 HA -1.79 0.04 0.35 -0.75 4.34 2.19 1dwiM1 ALA 353 HB3 -0.44 0.00 -0.06 -0.04 1.41 0.87 1dwiM1 GLY 354 H -0.25 0.47 -0.42 -0.55 8.43 7.69 1dwiM1 GLY 354 HA2 -0.12 0.20 0.21 -0.51 4.01 3.78 1dwiM1 GLY 354 HA3 -0.13 -0.03 0.32 -0.51 4.01 3.65 1dwiM1 ALA 355 H -0.15 0.19 -0.11 -0.55 8.40 7.77 1dwiM1 ALA 355 HA -0.10 0.27 0.99 -0.75 4.34 4.75 1dwiM1 ALA 355 HB3 -0.15 -0.01 -0.21 -0.04 1.41 1.01 1dwiM1 LYS 356 H -0.11 0.66 0.20 -0.55 8.42 8.61 1dwiM1 LYS 356 HA -0.08 0.11 0.78 -0.75 4.32 4.37 1dwiM1 LYS 356 HB2 -0.09 0.02 -0.05 -0.04 1.87 1.70 1dwiM1 LYS 356 HB3 -0.14 0.02 -0.02 -0.04 1.79 1.61 1dwiM1 LYS 356 HG2 -0.15 -0.01 -0.38 -0.04 1.46 0.88 1dwiM1 LYS 356 HG3 -0.08 0.01 -0.01 -0.04 1.46 1.33 1dwiM1 LYS 356 HD2 -0.09 -0.00 -0.04 -0.04 1.69 1.52 1dwiM1 LYS 356 HD3 -0.16 -0.01 -0.07 -0.04 1.68 1.41 1dwiM1 LYS 356 HE2 -0.14 -0.02 -0.09 -0.04 2.99 2.69 1dwiM1 LYS 356 HE3 -0.07 0.03 -0.05 -0.04 2.99 2.86 1dwiM1 LEU 357 H -0.06 0.19 0.14 -0.55 8.37 8.09 1dwiM1 LEU 357 HA -0.06 0.43 0.87 -0.75 4.35 4.83 1dwiM1 LEU 357 HB2 -0.03 -0.03 0.07 -0.04 1.64 1.61 1dwiM1 LEU 357 HB3 -0.06 0.01 -0.03 -0.04 1.64 1.53 1dwiM1 LEU 357 HG -0.03 -0.02 -0.24 -0.04 1.64 1.31 1dwiM1 LEU 357 HD13 0.08 -0.00 -0.10 -0.04 0.93 0.87 1dwiM1 LEU 357 HD23 -0.03 0.02 -0.27 -0.04 0.89 0.56 1dwiM1 THR 358 H -0.10 0.60 0.39 -0.55 8.28 8.62 1dwiM1 THR 358 HA -0.20 0.19 0.80 -0.75 4.39 4.42 1dwiM1 THR 358 HB -0.00 -0.13 0.21 -0.04 4.32 4.35 1dwiM1 THR 358 HG23 -0.11 0.01 -0.23 -0.04 1.22 0.84 1dwiM1 TYR 359 H 0.03 0.21 0.23 -0.55 8.29 8.22 1dwiM1 TYR 359 HA 0.05 0.18 0.99 -0.75 4.56 5.04 1dwiM1 TYR 359 HB2 0.15 0.11 0.11 -0.04 3.06 3.38 1dwiM1 TYR 359 HB3 0.18 -0.08 0.24 -0.04 2.98 3.27 1dwiM1 TYR 359 HD2 0.04 0.14 0.12 -0.04 7.15 7.41 1dwiM1 TYR 359 HE2 -0.19 0.05 -0.08 -0.04 6.85 6.59 1dwiM1 ILE 360 H 0.07 0.11 0.09 -0.55 8.25 7.98 1dwiM1 ILE 360 HA -0.14 0.36 0.85 -0.75 4.18 4.50 1dwiM1 ILE 360 HB -0.60 0.00 -0.10 -0.04 1.89 1.15 1dwiM1 ILE 360 HG12 -0.16 0.00 -0.24 -0.04 1.49 1.04 1dwiM1 ILE 360 HG13 -0.37 0.04 -0.60 -0.04 1.21 0.24 1dwiM1 ILE 360 HG23 -0.05 -0.01 -0.01 -0.04 0.93 0.81 1dwiM1 ILE 360 HD13 -0.17 -0.00 -0.07 -0.04 0.88 0.59 1dwiM1 ASN 361 H -0.25 0.48 0.15 -0.55 8.53 8.36 1dwiM1 ASN 361 HA -0.60 0.17 0.75 -0.75 4.76 4.33 1dwiM1 ASN 361 HB2 -0.81 0.27 0.30 -0.04 2.88 2.60 1dwiM1 ASN 361 HB3 -1.84 0.06 0.02 -0.04 2.79 0.99 1dwiM1 ASN 361 HD21 -0.15 -0.01 -0.00 -0.04 7.03 6.82 1dwiM1 ASN 361 HD22 -0.29 0.11 0.01 -0.04 7.74 7.51 1dwiM1 ALA 362 H -0.84 0.66 0.33 -0.55 8.40 8.00 1dwiM1 ALA 362 HA -0.63 0.11 0.17 -0.75 4.34 3.24 1dwiM1 ALA 362 HB3 -0.55 -0.02 0.07 -0.04 1.41 0.87 1dwiM1 SER 363 H -0.26 0.03 -0.22 -0.55 8.46 7.47 1dwiM1 SER 363 HA -0.09 0.22 0.78 -0.75 4.49 4.65 1dwiM1 SER 363 HB2 -0.05 0.05 0.16 -0.04 3.95 4.06 1dwiM1 SER 363 HB3 -0.09 -0.00 0.04 -0.04 3.93 3.83 1dwiM1 GLY 364 H -0.14 0.51 -0.36 -0.55 8.43 7.90 1dwiM1 GLY 364 HA2 -0.04 0.07 0.19 -0.51 4.01 3.72 1dwiM1 GLY 364 HA3 0.01 0.14 0.47 -0.51 4.01 4.11 1dwiM1 HIS 365 H 0.02 -0.06 -0.19 -0.55 8.41 7.64 1dwiM1 HIS 365 HA 0.07 0.13 0.50 -0.75 4.63 4.58 1dwiM1 HIS 365 HB2 -0.01 0.02 -0.03 -0.04 3.26 3.20 1dwiM1 HIS 365 HB3 -0.07 -0.15 0.06 -0.04 3.20 3.01 1dwiM1 HIS 365 HD2 0.05 -0.04 -0.01 -0.04 6.97 6.93 1dwiM1 HIS 365 HE1 0.17 0.04 -0.09 -0.04 7.75 7.82 1dwiM1 TYR 366 H 0.06 0.17 0.22 -0.55 8.29 8.19 1dwiM1 TYR 366 HA -0.16 0.20 0.79 -0.75 4.56 4.65 1dwiM1 TYR 366 HB2 -0.31 -0.03 0.17 -0.04 3.06 2.84 1dwiM1 TYR 366 HB3 -0.49 0.00 0.03 -0.04 2.98 2.48 1dwiM1 TYR 366 HD2 -0.99 0.06 0.03 -0.04 7.15 6.20 1dwiM1 TYR 366 HE2 -0.14 0.02 -0.02 -0.04 6.85 6.66 1dwiM1 ILE 367 H 0.07 0.55 0.31 -0.55 8.25 8.63 1dwiM1 ILE 367 HA 0.15 -0.02 0.11 -0.75 4.18 3.67 1dwiM1 ILE 367 HB -0.09 0.00 0.04 -0.04 1.89 1.80 1dwiM1 ILE 367 HG12 -0.12 -0.01 -0.11 -0.04 1.49 1.21 1dwiM1 ILE 367 HG13 -0.28 -0.04 -0.03 -0.04 1.21 0.82 1dwiM1 ILE 367 HG23 0.20 0.07 -0.09 -0.04 0.93 1.07 1dwiM1 ILE 367 HD13 -0.81 0.01 -0.23 -0.04 0.88 -0.19 1dwiM1 GLY 368 H 0.11 0.14 -0.15 -0.55 8.43 7.98 1dwiM1 GLY 368 HA2 0.09 0.02 0.43 -0.51 4.01 4.04 1dwiM1 GLY 368 HA3 0.12 0.33 0.57 -0.51 4.01 4.52 1dwiM1 PRO 369 HA 0.08 0.04 0.52 -0.51 4.44 4.56 1dwiM1 PRO 369 HB2 -0.33 0.11 -0.07 -0.04 2.28 1.95 1dwiM1 PRO 369 HB3 0.07 -0.03 0.12 -0.04 2.02 2.14 1dwiM1 PRO 369 HG2 0.10 0.05 -0.02 -0.04 2.03 2.13 1dwiM1 PRO 369 HG3 0.05 -0.12 0.09 -0.04 2.03 2.01 1dwiM1 PRO 369 HD2 -0.65 0.08 0.08 -0.04 3.68 3.15 1dwiM1 PRO 369 HD3 -0.00 0.29 0.32 -0.04 3.65 4.21 1dwiM1 LEU 370 H 0.14 0.07 0.18 -0.55 8.37 8.21 1dwiM1 LEU 370 HA -0.32 0.09 0.48 -0.75 4.35 3.85 1dwiM1 LEU 370 HB2 0.05 0.01 0.13 -0.04 1.64 1.79 1dwiM1 LEU 370 HB3 0.06 -0.03 0.12 -0.04 1.64 1.75 1dwiM1 LEU 370 HG -0.11 0.01 -0.38 -0.04 1.64 1.11 1dwiM1 LEU 370 HD13 -0.37 0.03 -0.11 -0.04 0.93 0.44 1dwiM1 LEU 370 HD23 -0.03 -0.02 -0.06 -0.04 0.89 0.75 1dwiM1 PHE 371 H -0.11 0.65 0.48 -0.55 8.34 8.80 1dwiM1 PHE 371 HA 0.17 0.15 0.86 -0.75 4.62 5.04 1dwiM1 PHE 371 HB2 0.29 -0.04 -0.25 -0.04 3.15 3.11 1dwiM1 PHE 371 HB3 -0.16 -0.02 -0.40 -0.04 3.06 2.43 1dwiM1 PHE 371 HD2 -0.04 -0.01 -0.12 -0.04 7.28 7.08 1dwiM1 PHE 371 HE2 -0.11 0.11 0.03 -0.04 7.38 7.37 1dwiM1 PHE 371 HZ 0.21 -0.00 0.01 -0.04 7.32 7.49 1dwiM1 GLU 372 H -0.16 0.50 0.24 -0.55 8.60 8.63 1dwiM1 GLU 372 HA -0.23 0.10 0.65 -0.75 4.29 4.05 1dwiM1 GLU 372 HB2 -0.20 0.06 -0.19 -0.04 2.09 1.71 1dwiM1 GLU 372 HB3 -0.04 -0.07 0.05 -0.04 1.99 1.89 1dwiM1 GLU 372 HG2 -0.08 0.15 -0.29 -0.04 2.34 2.08 1dwiM1 GLU 372 HG3 -0.13 -0.02 -0.03 -0.04 2.34 2.11 1dwiM1 LYS 373 H -0.12 0.16 0.08 -0.55 8.42 7.99 1dwiM1 LYS 373 HA -0.08 0.10 0.66 -0.75 4.32 4.24 1dwiM1 LYS 373 HB2 -0.06 0.02 0.05 -0.04 1.87 1.84 1dwiM1 LYS 373 HB3 -0.05 -0.01 0.10 -0.04 1.79 1.79 1dwiM1 LYS 373 HG2 -0.01 0.01 -0.08 -0.04 1.46 1.34 1dwiM1 LYS 373 HG3 -0.01 -0.06 -0.38 -0.04 1.46 0.97 1dwiM1 LYS 373 HD2 -0.01 0.00 0.05 -0.04 1.69 1.69 1dwiM1 LYS 373 HD3 0.01 0.02 -0.02 -0.04 1.68 1.64 1dwiM1 LYS 373 HE2 0.02 0.00 -0.14 -0.04 2.99 2.83 1dwiM1 LYS 373 HE3 0.02 0.10 -0.32 -0.04 2.99 2.75 1dwiM1 ASP 374 H -0.01 0.21 0.08 -0.55 8.40 8.13 1dwiM1 ASP 374 HA 0.00 0.15 0.77 -0.75 4.63 4.80 1dwiM1 ASP 374 HB2 0.01 0.15 -0.18 -0.04 2.71 2.65 1dwiM1 ASP 374 HB3 0.03 0.12 -0.04 -0.04 2.70 2.77 1dwiM1 LYS 375 H 0.01 0.23 -0.02 -0.55 8.42 8.08 1dwiM1 LYS 375 HA 0.02 0.10 0.23 -0.75 4.32 3.91 1dwiM1 LYS 375 HB2 0.02 0.02 0.06 -0.04 1.87 1.93 1dwiM1 LYS 375 HB3 0.02 0.05 0.06 -0.04 1.79 1.87 1dwiM1 LYS 375 HG2 0.01 -0.07 -0.15 -0.04 1.46 1.20 1dwiM1 LYS 375 HG3 0.00 0.03 -0.01 -0.04 1.46 1.45 1dwiM1 LYS 375 HD2 0.01 0.03 0.00 -0.04 1.69 1.70 1dwiM1 LYS 375 HD3 0.01 0.00 -0.03 -0.04 1.68 1.62 1dwiM1 LYS 375 HE2 0.01 0.01 -0.01 -0.04 2.99 2.96 1dwiM1 LYS 375 HE3 0.00 -0.02 -0.01 -0.04 2.99 2.92 1dwiM1 ALA 376 H 0.03 0.05 -0.23 -0.55 8.40 7.70 1dwiM1 ALA 376 HA 0.03 0.13 0.47 -0.75 4.34 4.21 1dwiM1 ALA 376 HB3 0.03 0.01 0.03 -0.04 1.41 1.43 1dwiM1 ASP 377 H 0.03 0.10 -0.26 -0.55 8.40 7.72 1dwiM1 ASP 377 HA 0.04 0.16 0.65 -0.75 4.63 4.72 1dwiM1 ASP 377 HB2 0.04 0.10 -0.12 -0.04 2.71 2.69 1dwiM1 ASP 377 HB3 0.04 -0.01 0.09 -0.04 2.70 2.79 1dwiM1 SER 378 H 0.05 0.22 0.04 -0.55 8.46 8.22 1dwiM1 SER 378 HA 0.06 0.06 0.44 -0.75 4.49 4.30 1dwiM1 SER 378 HB2 0.07 0.01 0.11 -0.04 3.95 4.09 1dwiM1 SER 378 HB3 0.09 -0.00 0.10 -0.04 3.93 4.08 1dwiM1 THR 379 H 0.07 0.07 -0.28 -0.55 8.28 7.59 1dwiM1 THR 379 HA 0.13 0.10 0.41 -0.75 4.39 4.28 1dwiM1 THR 379 HB 0.06 0.04 0.10 -0.04 4.32 4.48 1dwiM1 THR 379 HG23 0.06 -0.01 0.02 -0.04 1.22 1.25 1dwiM1 ASP 380 H 0.08 0.46 -0.51 -0.55 8.40 7.88 1dwiM1 ASP 380 HA 0.12 0.17 0.77 -0.75 4.63 4.94 1dwiM1 ASP 380 HB2 0.06 0.07 0.08 -0.04 2.71 2.88 1dwiM1 ASP 380 HB3 0.08 -0.03 0.14 -0.04 2.70 2.85 1dwiM1 ASN 381 H 0.12 0.36 -0.14 -0.55 8.53 8.32 1dwiM1 ASN 381 HA -0.06 0.01 0.59 -0.75 4.76 4.54 1dwiM1 ASN 381 HB2 0.25 0.05 0.09 -0.04 2.88 3.22 1dwiM1 ASN 381 HB3 -0.33 0.01 -0.01 -0.04 2.79 2.42 1dwiM1 ASN 381 HD21 0.08 -0.07 0.06 -0.04 7.03 7.06 1dwiM1 ASN 381 HD22 0.20 0.01 0.03 -0.04 7.74 7.94 1dwiM1 ILE 382 H -0.27 0.46 0.37 -0.55 8.25 8.26 1dwiM1 ILE 382 HA -1.28 0.19 0.84 -0.75 4.18 3.17 1dwiM1 ILE 382 HB -0.13 -0.14 0.10 -0.04 1.89 1.69 1dwiM1 ILE 382 HG12 -0.35 0.07 -0.08 -0.04 1.49 1.09 1dwiM1 ILE 382 HG13 -0.16 0.07 -0.02 -0.04 1.21 1.06 1dwiM1 ILE 382 HG23 -1.11 0.01 -0.11 -0.04 0.93 -0.31 1dwiM1 ILE 382 HD13 -0.07 -0.02 -0.07 -0.04 0.88 0.68 1dwiM1 TYR 383 H -0.81 0.29 0.22 -0.55 8.29 7.44 1dwiM1 TYR 383 HA 0.09 0.03 0.90 -0.75 4.56 4.82 1dwiM1 TYR 383 HB2 0.10 -0.05 0.06 -0.04 3.06 3.13 1dwiM1 TYR 383 HB3 0.08 0.19 -0.14 -0.04 2.98 3.07 1dwiM1 TYR 383 HD2 0.04 0.07 -0.27 -0.04 7.15 6.95 1dwiM1 TYR 383 HE2 0.11 0.03 -0.11 -0.04 6.85 6.83 1dwiM1 TYR 384 H 0.22 0.66 0.07 -0.55 8.29 8.70 1dwiM1 TYR 384 HA 0.26 0.09 0.80 -0.75 4.56 4.96 1dwiM1 TYR 384 HB2 0.50 -0.02 0.14 -0.04 3.06 3.65 1dwiM1 TYR 384 HB3 0.45 -0.00 -0.04 -0.04 2.98 3.34 1dwiM1 TYR 384 HD2 0.40 -0.05 -0.26 -0.04 7.15 7.20 1dwiM1 TYR 384 HE2 0.17 0.07 -0.09 -0.04 6.85 6.96 1dwiM1 TYR 385 H 0.68 0.19 -0.03 -0.55 8.29 8.57 1dwiM1 TYR 385 HA 0.16 0.31 0.76 -0.75 4.56 5.04 1dwiM1 TYR 385 HB2 0.17 0.17 -0.36 -0.04 3.06 2.99 1dwiM1 TYR 385 HB3 0.26 -0.13 0.05 -0.04 2.98 3.12 1dwiM1 TYR 385 HD2 0.14 0.14 0.02 -0.04 7.15 7.40 1dwiM1 TYR 385 HE2 0.12 0.04 -0.12 -0.04 6.85 6.85 1dwiM1 PRO 386 HA -0.81 0.06 0.35 -0.51 4.44 3.54 1dwiM1 PRO 386 HB2 0.06 0.11 0.05 -0.04 2.28 2.46 1dwiM1 PRO 386 HB3 -0.29 0.07 -0.20 -0.04 2.02 1.56 1dwiM1 PRO 386 HG2 0.21 0.12 0.02 -0.04 2.03 2.34 1dwiM1 PRO 386 HG3 0.08 0.01 -0.02 -0.04 2.03 2.06 1dwiM1 PRO 386 HD2 0.09 0.24 0.27 -0.04 3.68 4.24 1dwiM1 PRO 386 HD3 0.30 0.13 0.00 -0.04 3.65 4.04 1dwiM1 LYS 387 H -0.96 0.19 -0.20 -0.55 8.42 6.89 1dwiM1 LYS 387 HA -1.95 0.08 0.42 -0.75 4.32 2.12 1dwiM1 LYS 387 HB2 -1.11 0.06 0.05 -0.04 1.87 0.82 1dwiM1 LYS 387 HB3 -1.26 0.02 -0.02 -0.04 1.79 0.49 1dwiM1 LYS 387 HG2 -0.43 -0.06 -0.08 -0.04 1.46 0.86 1dwiM1 LYS 387 HG3 -0.78 0.01 0.07 -0.04 1.46 0.72 1dwiM1 LYS 387 HD2 -0.20 0.04 -0.02 -0.04 1.69 1.47 1dwiM1 LYS 387 HD3 -0.13 0.01 -0.04 -0.04 1.68 1.47 1dwiM1 LYS 387 HE2 -0.07 -0.02 -0.05 -0.04 2.99 2.81 1dwiM1 LYS 387 HE3 -0.33 0.01 -0.03 -0.04 2.99 2.60 1dwiM1 GLY 388 H -0.47 0.54 -0.48 -0.55 8.43 7.48 1dwiM1 GLY 388 HA2 0.02 -0.00 0.24 -0.51 4.01 3.76 1dwiM1 GLY 388 HA3 0.27 0.07 0.19 -0.51 4.01 4.03 1dwiM1 ILE 389 H -0.39 0.44 -0.28 -0.55 8.25 7.48 1dwiM1 ILE 389 HA -0.71 0.02 0.40 -0.75 4.18 3.14 1dwiM1 ILE 389 HB -0.23 -0.01 0.01 -0.04 1.89 1.61 1dwiM1 ILE 389 HG12 -0.05 0.01 -0.09 -0.04 1.49 1.31 1dwiM1 ILE 389 HG13 -0.22 -0.05 -0.04 -0.04 1.21 0.86 1dwiM1 ILE 389 HG23 0.02 0.11 -0.08 -0.04 0.93 0.94 1dwiM1 ILE 389 HD13 0.20 0.02 -0.08 -0.04 0.88 0.99 1dwiM1 TYR 390 H -0.17 0.21 -0.25 -0.55 8.29 7.54 1dwiM1 TYR 390 HA -0.09 0.07 0.49 -0.75 4.56 4.27 1dwiM1 TYR 390 HB2 0.02 0.02 0.09 -0.04 3.06 3.15 1dwiM1 TYR 390 HB3 -0.31 0.16 0.19 -0.04 2.98 2.97 1dwiM1 TYR 390 HD2 -0.00 0.04 -0.20 -0.04 7.15 6.95 1dwiM1 TYR 390 HE2 0.00 0.03 -0.17 -0.04 6.85 6.67 1dwiM1 SER 391 H -0.28 0.48 -0.10 -0.55 8.46 8.02 1dwiM1 SER 391 HA -0.37 0.04 0.27 -0.75 4.49 3.69 1dwiM1 SER 391 HB2 -1.12 0.01 0.08 -0.04 3.95 2.88 1dwiM1 SER 391 HB3 -2.40 -0.02 -0.00 -0.04 3.93 1.47 1dwiM1 VAL 392 H -0.38 0.64 -0.18 -0.55 8.24 7.76 1dwiM1 VAL 392 HA 0.04 0.01 0.42 -0.75 4.13 3.84 1dwiM1 VAL 392 HB -0.16 0.09 0.04 -0.04 2.12 2.04 1dwiM1 VAL 392 HG13 0.18 -0.01 -0.26 -0.04 0.97 0.84 1dwiM1 VAL 392 HG23 0.25 0.02 -0.23 -0.04 0.95 0.96 1dwiM1 MET 393 H -0.13 0.57 -0.18 -0.55 8.47 8.18 1dwiM1 MET 393 HA 0.05 0.01 0.40 -0.75 4.52 4.23 1dwiM1 MET 393 HB2 -0.14 0.07 0.10 -0.04 2.15 2.14 1dwiM1 MET 393 HB3 -0.04 -0.03 -0.06 -0.04 2.03 1.86 1dwiM1 MET 393 HG2 -0.08 0.29 0.08 -0.04 2.63 2.87 1dwiM1 MET 393 HG3 -0.02 -0.02 -0.04 -0.04 2.56 2.43 1dwiM1 MET 393 HE3 -0.05 -0.02 -0.11 -0.04 2.10 1.88 1dwiM1 ASP 394 H -0.18 0.62 -0.14 -0.55 8.40 8.15 1dwiM1 ASP 394 HA -0.08 0.06 0.43 -0.75 4.63 4.29 1dwiM1 ASP 394 HB2 -0.29 0.01 0.07 -0.04 2.71 2.46 1dwiM1 ASP 394 HB3 -0.16 0.07 0.11 -0.04 2.70 2.67 1dwiM1 TYR 395 H 0.03 0.55 -0.20 -0.55 8.29 8.12 1dwiM1 TYR 395 HA 0.01 -0.01 0.47 -0.75 4.56 4.28 1dwiM1 TYR 395 HB2 -0.08 0.06 0.15 -0.04 3.06 3.16 1dwiM1 TYR 395 HB3 0.20 0.11 0.19 -0.04 2.98 3.43 1dwiM1 TYR 395 HD2 0.22 0.03 -0.05 -0.04 7.15 7.31 1dwiM1 TYR 395 HE2 0.15 -0.02 -0.03 -0.04 6.85 6.90 1dwiM1 PHE 396 H 0.49 0.63 -0.11 -0.55 8.34 8.80 1dwiM1 PHE 396 HA 0.21 -0.03 0.39 -0.75 4.62 4.44 1dwiM1 PHE 396 HB2 0.12 0.10 0.12 -0.04 3.15 3.44 1dwiM1 PHE 396 HB3 0.14 0.05 -0.10 -0.04 3.06 3.11 1dwiM1 PHE 396 HD2 0.22 0.18 -0.02 -0.04 7.28 7.63 1dwiM1 PHE 396 HE2 0.18 -0.03 -0.05 -0.04 7.38 7.44 1dwiM1 PHE 396 HZ 0.20 -0.05 -0.04 -0.04 7.32 7.39 1dwiM1 LYS 397 H 0.13 0.56 -0.19 -0.55 8.42 8.37 1dwiM1 LYS 397 HA 0.10 0.00 0.45 -0.75 4.32 4.12 1dwiM1 LYS 397 HB2 0.05 -0.04 0.10 -0.04 1.87 1.94 1dwiM1 LYS 397 HB3 0.01 0.09 0.16 -0.04 1.79 2.00 1dwiM1 LYS 397 HG2 0.00 -0.02 -0.24 -0.04 1.46 1.16 1dwiM1 LYS 397 HG3 0.04 -0.07 0.07 -0.04 1.46 1.46 1dwiM1 LYS 397 HD2 0.02 -0.05 -0.13 -0.04 1.69 1.49 1dwiM1 LYS 397 HD3 -0.00 0.05 -0.08 -0.04 1.68 1.60 1dwiM1 LYS 397 HE2 0.03 -0.07 0.01 -0.04 2.99 2.91 1dwiM1 LYS 397 HE3 0.01 0.18 -0.01 -0.04 2.99 3.13 1dwiM1 ASN 398 H -0.06 0.52 -0.13 -0.55 8.53 8.32 1dwiM1 ASN 398 HA -0.09 0.07 0.42 -0.75 4.76 4.40 1dwiM1 ASN 398 HB2 -0.11 0.01 0.14 -0.04 2.88 2.89 1dwiM1 ASN 398 HB3 -0.09 -0.08 0.00 -0.04 2.79 2.58 1dwiM1 ASN 398 HD21 0.02 -0.05 -0.04 -0.04 7.03 6.92 1dwiM1 ASN 398 HD22 0.04 -0.08 -0.05 -0.04 7.74 7.60 1dwiM1 LYS 399 H -0.43 0.74 0.02 -0.55 8.42 8.20 1dwiM1 LYS 399 HA -0.50 0.08 0.65 -0.75 4.32 3.79 1dwiM1 LYS 399 HB2 -1.06 -0.08 0.07 -0.04 1.87 0.77 1dwiM1 LYS 399 HB3 -1.44 0.11 0.03 -0.04 1.79 0.45 1dwiM1 LYS 399 HG2 -1.34 -0.08 -0.08 -0.04 1.46 -0.08 1dwiM1 LYS 399 HG3 -1.32 0.03 -0.11 -0.04 1.46 0.02 1dwiM1 LYS 399 HD2 -0.37 0.04 0.06 -0.04 1.69 1.37 1dwiM1 LYS 399 HD3 -0.37 -0.04 -0.00 -0.04 1.68 1.23 1dwiM1 LYS 399 HE2 -0.06 -0.06 -0.04 -0.04 2.99 2.79 1dwiM1 LYS 399 HE3 -0.16 0.02 -0.02 -0.04 2.99 2.79 1dwiM1 TYR 400 H -0.22 0.48 -0.18 -0.55 8.29 7.81 1dwiM1 TYR 400 HA -0.08 0.16 0.80 -0.75 4.56 4.69 1dwiM1 TYR 400 HB2 -0.06 0.07 0.13 -0.04 3.06 3.16 1dwiM1 TYR 400 HB3 0.07 -0.00 0.12 -0.04 2.98 3.13 1dwiM1 TYR 400 HD2 -0.51 0.06 -0.08 -0.04 7.15 6.58 1dwiM1 TYR 400 HE2 -0.15 -0.04 -0.17 -0.04 6.85 6.45 1dwiM1 TYR 401 H -0.30 0.15 -0.32 -0.55 8.29 7.27 1dwiM1 TYR 401 HA 0.06 0.00 0.25 -0.75 4.56 4.12 1dwiM1 TYR 401 HB2 0.17 0.16 -0.24 -0.04 3.06 3.11 1dwiM1 TYR 401 HB3 0.10 -0.02 0.11 -0.04 2.98 3.12 1dwiM1 TYR 401 HD2 0.11 -0.00 -0.11 -0.04 7.15 7.11 1dwiM1 TYR 401 HE2 0.07 -0.05 -0.01 -0.04 6.85 6.82 1dwiM1 ASN 402 H 0.09 0.34 0.03 -0.55 8.53 8.45 1dwiM1 ASN 402 HA 0.11 -0.08 0.36 -0.75 4.76 4.40 1dwiM1 ASN 402 HB2 0.08 -0.02 -0.02 -0.04 2.88 2.87 1dwiM1 ASN 402 HB3 0.12 0.09 -0.14 -0.04 2.79 2.81 1dwiM1 ASN 402 HD21 0.06 -0.02 0.04 -0.04 7.03 7.06 1dwiM1 ASN 402 HD22 0.07 -0.03 0.04 -0.04 7.74 7.78 1dwiM1 PRO 403 HA 0.27 0.13 0.36 -0.51 4.44 4.68 1dwiM1 PRO 403 HB2 0.24 0.03 -0.19 -0.04 2.28 2.32 1dwiM1 PRO 403 HB3 0.34 0.09 -0.06 -0.04 2.02 2.35 1dwiM1 PRO 403 HG2 0.22 -0.10 -0.21 -0.04 2.03 1.91 1dwiM1 PRO 403 HG3 0.35 -0.02 -0.14 -0.04 2.03 2.19 1dwiM1 PRO 403 HD2 0.20 -0.08 -0.17 -0.04 3.68 3.58 1dwiM1 PRO 403 HD3 0.26 0.33 -0.37 -0.04 3.65 3.83 1dwiM1 LEU 404 H 0.24 0.19 0.21 -0.55 8.37 8.46 1dwiM1 LEU 404 HA 0.08 0.24 0.85 -0.75 4.35 4.77 1dwiM1 LEU 404 HB2 0.15 0.03 0.20 -0.04 1.64 1.98 1dwiM1 LEU 404 HB3 0.29 0.12 0.33 -0.04 1.64 2.33 1dwiM1 LEU 404 HG 0.20 -0.13 -0.27 -0.04 1.64 1.41 1dwiM1 LEU 404 HD13 -0.09 0.03 0.03 -0.04 0.93 0.84 1dwiM1 LEU 404 HD23 0.27 0.02 -0.03 -0.04 0.89 1.11 1dwiM1 ILE 405 H -0.06 0.74 0.41 -0.55 8.25 8.79 1dwiM1 ILE 405 HA 0.15 0.21 0.98 -0.75 4.18 4.77 1dwiM1 ILE 405 HB -0.02 0.01 -0.08 -0.04 1.89 1.76 1dwiM1 ILE 405 HG12 -0.01 -0.05 -0.18 -0.04 1.49 1.21 1dwiM1 ILE 405 HG13 0.09 0.07 -0.75 -0.04 1.21 0.57 1dwiM1 ILE 405 HG23 -0.03 -0.05 -0.29 -0.04 0.93 0.52 1dwiM1 ILE 405 HD13 0.05 -0.03 -0.18 -0.04 0.88 0.69 1dwiM1 TYR 406 H 0.27 0.61 0.31 -0.55 8.29 8.94 1dwiM1 TYR 406 HA -0.14 0.09 0.78 -0.75 4.56 4.54 1dwiM1 TYR 406 HB2 -0.02 -0.05 -0.06 -0.04 3.06 2.89 1dwiM1 TYR 406 HB3 -0.32 0.03 -0.25 -0.04 2.98 2.40 1dwiM1 TYR 406 HD2 -0.34 -0.04 -0.28 -0.04 7.15 6.45 1dwiM1 TYR 406 HE2 -0.25 0.10 -0.23 -0.04 6.85 6.43 1dwiM1 VAL 407 H -0.01 0.68 0.21 -0.55 8.24 8.58 1dwiM1 VAL 407 HA 0.00 0.25 0.87 -0.75 4.13 4.50 1dwiM1 VAL 407 HB 0.16 0.00 0.30 -0.04 2.12 2.54 1dwiM1 VAL 407 HG13 0.02 -0.01 -0.08 -0.04 0.97 0.86 1dwiM1 VAL 407 HG23 0.13 0.01 0.00 -0.04 0.95 1.05 1dwiM1 THR 408 H -0.03 0.37 0.05 -0.55 8.28 8.12 1dwiM1 THR 408 HA -0.13 0.15 0.46 -0.75 4.39 4.11 1dwiM1 THR 408 HB -0.01 -0.06 -0.07 -0.04 4.32 4.15 1dwiM1 THR 408 HG23 0.03 0.04 -0.24 -0.04 1.22 1.01 1dwiM1 GLU 409 H -0.11 0.27 0.05 -0.55 8.60 8.27 1dwiM1 GLU 409 HA 0.02 0.24 0.35 -0.75 4.29 4.14 1dwiM1 GLU 409 HB2 -0.14 -0.14 -0.06 -0.04 2.09 1.71 1dwiM1 GLU 409 HB3 -0.04 -0.03 -0.11 -0.04 1.99 1.78 1dwiM1 GLU 409 HG2 0.25 0.10 0.01 -0.04 2.34 2.66 1dwiM1 GLU 409 HG3 -0.01 -0.02 -0.52 -0.04 2.34 1.75 1dwiM1 ASN 410 H -0.04 0.09 0.18 -0.55 8.53 8.22 1dwiM1 ASN 410 HA -0.48 0.28 0.63 -0.75 4.76 4.44 1dwiM1 ASN 410 HB2 -0.03 0.08 -0.04 -0.04 2.88 2.85 1dwiM1 ASN 410 HB3 -0.09 -0.04 -0.01 -0.04 2.79 2.61 1dwiM1 ASN 410 HD21 -0.51 -0.09 -0.01 -0.04 7.03 6.39 1dwiM1 ASN 410 HD22 -0.07 0.58 0.27 -0.04 7.74 8.47 1dwiM1 GLY 411 H 0.09 0.35 0.28 -0.55 8.43 8.60 1dwiM1 GLY 411 HA2 0.19 0.06 0.46 -0.51 4.01 4.21 1dwiM1 GLY 411 HA3 0.36 0.34 0.54 -0.51 4.01 4.73 1dwiM1 ILE 412 H 0.08 0.38 0.26 -0.55 8.25 8.42 1dwiM1 ILE 412 HA -0.38 0.08 0.79 -0.75 4.18 3.92 1dwiM1 ILE 412 HB -1.22 0.02 -0.15 -0.04 1.89 0.50 1dwiM1 ILE 412 HG12 -0.46 0.23 0.02 -0.04 1.49 1.24 1dwiM1 ILE 412 HG13 -1.03 0.01 0.22 -0.04 1.21 0.36 1dwiM1 ILE 412 HG23 -0.20 0.00 -0.04 -0.04 0.93 0.64 1dwiM1 ILE 412 HD13 -0.09 -0.00 0.06 -0.04 0.88 0.80 1dwiM1 SER 413 H -0.90 0.17 0.18 -0.55 8.46 7.36 1dwiM1 SER 413 HA -0.92 0.34 0.88 -0.75 4.49 4.03 1dwiM1 SER 413 HB2 -0.66 -0.06 0.04 -0.04 3.95 3.23 1dwiM1 SER 413 HB3 -1.62 -0.06 -0.03 -0.04 3.93 2.17 1dwiM1 THR 414 H -0.27 0.55 0.42 -0.55 8.28 8.44 1dwiM1 THR 414 HA -0.14 0.13 0.61 -0.75 4.39 4.23 1dwiM1 THR 414 HB -0.05 0.01 0.10 -0.04 4.32 4.35 1dwiM1 THR 414 HG23 -0.08 0.00 -0.10 -0.04 1.22 1.00 1dwiM1 PRO 415 HA -0.04 0.14 0.46 -0.51 4.44 4.49 1dwiM1 PRO 415 HB2 0.00 -0.11 0.07 -0.04 2.28 2.20 1dwiM1 PRO 415 HB3 -0.01 0.06 0.17 -0.04 2.02 2.20 1dwiM1 PRO 415 HG2 -0.02 0.04 0.09 -0.04 2.03 2.10 1dwiM1 PRO 415 HG3 -0.04 0.06 0.09 -0.04 2.03 2.09 1dwiM1 PRO 415 HD2 -0.03 0.10 0.20 -0.04 3.68 3.91 1dwiM1 PRO 415 HD3 -0.08 0.17 0.19 -0.04 3.65 3.89 1dwiM1 GLY 416 H 0.02 0.83 0.30 -0.55 8.43 9.04 1dwiM1 GLY 416 HA2 0.12 0.07 0.46 -0.51 4.01 4.14 1dwiM1 GLY 416 HA3 0.10 0.12 0.27 -0.51 4.01 4.00 1dwiM1 ASP 417 H 0.03 0.00 -0.18 -0.55 8.40 7.70 1dwiM1 ASP 417 HA 0.05 0.07 0.20 -0.75 4.63 4.19 1dwiM1 ASP 417 HB2 0.02 -0.05 0.07 -0.04 2.71 2.71 1dwiM1 ASP 417 HB3 0.03 -0.01 0.06 -0.04 2.70 2.73 1dwiM1 GLU 418 H 0.04 0.21 -0.53 -0.55 8.60 7.77 1dwiM1 GLU 418 HA 0.02 -0.04 0.24 -0.75 4.29 3.76 1dwiM1 GLU 418 HB2 0.04 0.21 0.03 -0.04 2.09 2.33 1dwiM1 GLU 418 HB3 0.02 -0.09 -0.00 -0.04 1.99 1.88 1dwiM1 GLU 418 HG2 0.01 -0.05 0.00 -0.04 2.34 2.27 1dwiM1 GLU 418 HG3 0.01 -0.06 0.02 -0.04 2.34 2.26 1dwiM1 ASN 419 H 0.02 0.01 0.17 -0.55 8.53 8.18 1dwiM1 ASN 419 HA 0.04 0.25 0.66 -0.75 4.76 4.96 1dwiM1 ASN 419 HB2 0.00 -0.03 0.20 -0.04 2.88 3.02 1dwiM1 ASN 419 HB3 0.01 0.15 0.16 -0.04 2.79 3.07 1dwiM1 ASN 419 HD21 -0.01 0.03 0.04 -0.04 7.03 7.05 1dwiM1 ASN 419 HD22 0.00 0.11 0.06 -0.04 7.74 7.87 1dwiM1 ARG 420 H -0.02 0.19 0.12 -0.55 8.46 8.20 1dwiM1 ARG 420 HA -0.21 0.14 0.26 -0.75 4.34 3.78 1dwiM1 ARG 420 HB2 -0.09 0.05 0.10 -0.04 1.90 1.91 1dwiM1 ARG 420 HB3 -0.13 -0.04 0.12 -0.04 1.80 1.71 1dwiM1 ARG 420 HG2 -0.39 0.01 -0.33 -0.04 1.67 0.92 1dwiM1 ARG 420 HG3 -1.14 0.01 -0.03 -0.04 1.67 0.46 1dwiM1 ARG 420 HD2 -0.13 -0.01 -0.04 -0.04 3.22 3.00 1dwiM1 ARG 420 HD3 -0.16 0.01 -0.06 -0.04 3.22 2.97 1dwiM1 ASN 421 H -0.08 0.09 -0.11 -0.55 8.53 7.88 1dwiM1 ASN 421 HA -0.12 0.12 0.43 -0.75 4.76 4.44 1dwiM1 ASN 421 HB2 -0.04 -0.08 0.10 -0.04 2.88 2.82 1dwiM1 ASN 421 HB3 -0.04 0.07 -0.03 -0.04 2.79 2.75 1dwiM1 ASN 421 HD21 -0.03 0.05 0.01 -0.04 7.03 7.02 1dwiM1 ASN 421 HD22 -0.02 0.01 0.02 -0.04 7.74 7.70 1dwiM1 GLN 422 H -0.04 0.02 -0.26 -0.55 8.47 7.65 1dwiM1 GLN 422 HA -0.01 0.09 0.37 -0.75 4.36 4.06 1dwiM1 GLN 422 HB2 -0.00 0.00 0.11 -0.04 2.15 2.22 1dwiM1 GLN 422 HB3 0.01 0.06 0.01 -0.04 2.02 2.06 1dwiM1 GLN 422 HG2 0.01 0.07 0.04 -0.04 2.40 2.48 1dwiM1 GLN 422 HG3 -0.00 -0.09 0.05 -0.04 2.39 2.31 1dwiM1 GLN 422 HE21 0.01 0.05 0.03 -0.04 6.97 7.02 1dwiM1 GLN 422 HE22 0.01 0.03 0.02 -0.04 7.69 7.71 1dwiM1 SER 423 H -0.04 0.59 -0.21 -0.55 8.46 8.26 1dwiM1 SER 423 HA 0.01 0.03 0.29 -0.75 4.49 4.06 1dwiM1 SER 423 HB2 -0.08 0.04 0.01 -0.04 3.95 3.88 1dwiM1 SER 423 HB3 0.20 -0.07 -0.10 -0.04 3.93 3.92 1dwiM1 MET 424 H -0.16 0.53 -0.24 -0.55 8.47 8.05 1dwiM1 MET 424 HA -0.10 0.02 0.58 -0.75 4.52 4.27 1dwiM1 MET 424 HB2 -0.15 0.15 0.13 -0.04 2.15 2.24 1dwiM1 MET 424 HB3 -0.13 -0.07 0.08 -0.04 2.03 1.88 1dwiM1 MET 424 HG2 -0.43 0.21 0.05 -0.04 2.63 2.42 1dwiM1 MET 424 HG3 -0.25 -0.06 -0.04 -0.04 2.56 2.17 1dwiM1 MET 424 HE3 -0.10 0.01 -0.10 -0.04 2.10 1.88 1dwiM1 LEU 425 H -0.10 0.38 -0.32 -0.55 8.37 7.79 1dwiM1 LEU 425 HA -0.34 0.04 0.71 -0.75 4.35 4.00 1dwiM1 LEU 425 HB2 -0.02 0.07 0.26 -0.04 1.64 1.92 1dwiM1 LEU 425 HB3 0.02 -0.08 0.21 -0.04 1.64 1.75 1dwiM1 LEU 425 HG -0.06 0.16 0.05 -0.04 1.64 1.75 1dwiM1 LEU 425 HD13 0.05 -0.03 -0.02 -0.04 0.93 0.88 1dwiM1 LEU 425 HD23 -0.02 -0.00 -0.01 -0.04 0.89 0.81 1dwiM1 ASP 426 H -0.23 0.28 -0.19 -0.55 8.40 7.72 1dwiM1 ASP 426 HA -0.06 0.18 0.46 -0.75 4.63 4.45 1dwiM1 ASP 426 HB2 -0.05 -0.05 0.13 -0.04 2.71 2.70 1dwiM1 ASP 426 HB3 -0.05 0.35 0.01 -0.04 2.70 2.97 1dwiM1 TYR 427 H -0.08 0.51 -0.12 -0.55 8.29 8.05 1dwiM1 TYR 427 HA -0.02 0.04 0.35 -0.75 4.56 4.18 1dwiM1 TYR 427 HB2 0.01 0.04 0.10 -0.04 3.06 3.17 1dwiM1 TYR 427 HB3 0.00 0.01 0.07 -0.04 2.98 3.03 1dwiM1 TYR 427 HD2 0.00 0.04 0.03 -0.04 7.15 7.19 1dwiM1 TYR 427 HE2 0.02 0.04 0.01 -0.04 6.85 6.88 1dwiM1 THR 428 H 0.10 0.16 -0.20 -0.55 8.28 7.79 1dwiM1 THR 428 HA 0.14 0.06 0.41 -0.75 4.39 4.24 1dwiM1 THR 428 HB 0.09 0.10 0.01 -0.04 4.32 4.48 1dwiM1 THR 428 HG23 0.09 -0.00 0.05 -0.04 1.22 1.32 1dwiM1 ARG 429 H -0.00 0.27 -0.31 -0.55 8.46 7.87 1dwiM1 ARG 429 HA 0.00 0.09 0.63 -0.75 4.34 4.30 1dwiM1 ARG 429 HB2 -0.04 0.04 0.03 -0.04 1.90 1.89 1dwiM1 ARG 429 HB3 -0.02 0.08 0.14 -0.04 1.80 1.96 1dwiM1 ARG 429 HG2 0.03 -0.04 -0.18 -0.04 1.67 1.44 1dwiM1 ARG 429 HG3 0.02 -0.04 0.06 -0.04 1.67 1.66 1dwiM1 ARG 429 HD2 0.01 -0.07 -0.04 -0.04 3.22 3.08 1dwiM1 ARG 429 HD3 0.04 0.04 -0.12 -0.04 3.22 3.14 1dwiM1 ILE 430 H -0.06 0.30 -0.03 -0.55 8.25 7.91 1dwiM1 ILE 430 HA -0.49 0.09 0.51 -0.75 4.18 3.53 1dwiM1 ILE 430 HB -0.12 0.07 0.14 -0.04 1.89 1.94 1dwiM1 ILE 430 HG12 -0.07 0.07 0.05 -0.04 1.49 1.50 1dwiM1 ILE 430 HG13 -0.05 -0.05 -0.01 -0.04 1.21 1.05 1dwiM1 ILE 430 HG23 -0.90 0.01 -0.14 -0.04 0.93 -0.14 1dwiM1 ILE 430 HD13 0.07 0.02 -0.15 -0.04 0.88 0.77 1dwiM1 ASP 431 H -0.04 0.54 -0.19 -0.55 8.40 8.16 1dwiM1 ASP 431 HA -0.18 -0.04 0.26 -0.75 4.63 3.92 1dwiM1 ASP 431 HB2 0.15 0.12 0.12 -0.04 2.71 3.06 1dwiM1 ASP 431 HB3 0.17 -0.04 -0.06 -0.04 2.70 2.73 1dwiM1 TYR 432 H 0.07 0.46 -0.24 -0.55 8.29 8.03 1dwiM1 TYR 432 HA -0.20 -0.01 0.46 -0.75 4.56 4.06 1dwiM1 TYR 432 HB2 -0.25 0.07 0.12 -0.04 3.06 2.95 1dwiM1 TYR 432 HB3 -0.12 0.06 0.15 -0.04 2.98 3.03 1dwiM1 TYR 432 HD2 -0.90 0.02 -0.19 -0.04 7.15 6.03 1dwiM1 TYR 432 HE2 -0.11 -0.04 -0.06 -0.04 6.85 6.60 1dwiM1 LEU 433 H 0.00 0.66 -0.11 -0.55 8.37 8.37 1dwiM1 LEU 433 HA 0.10 0.01 0.31 -0.75 4.35 4.02 1dwiM1 LEU 433 HB2 -0.15 0.05 0.14 -0.04 1.64 1.63 1dwiM1 LEU 433 HB3 0.15 -0.00 -0.02 -0.04 1.64 1.72 1dwiM1 LEU 433 HG 0.15 0.08 0.08 -0.04 1.64 1.91 1dwiM1 LEU 433 HD13 0.08 -0.01 -0.07 -0.04 0.93 0.89 1dwiM1 LEU 433 HD23 0.25 -0.01 -0.04 -0.04 0.89 1.05 1dwiM1 CYS 434 H -0.41 0.74 -0.10 -0.55 8.50 8.17 1dwiM1 CYS 434 HA -0.01 0.08 0.32 -0.75 4.58 4.23 1dwiM1 CYS 434 HB2 -0.02 0.17 -0.11 -0.04 2.97 2.97 1dwiM1 CYS 434 HB3 -0.74 0.04 -0.06 -0.04 2.97 2.17 1dwiM1 SER 435 H -0.29 0.53 -0.28 -0.55 8.46 7.87 1dwiM1 SER 435 HA -0.14 -0.02 0.44 -0.75 4.49 4.02 1dwiM1 SER 435 HB2 -0.29 0.02 0.06 -0.04 3.95 3.70 1dwiM1 SER 435 HB3 -1.04 -0.06 0.10 -0.04 3.93 2.88 1dwiM1 HIS 436 H -0.05 0.52 -0.20 -0.55 8.41 8.12 1dwiM1 HIS 436 HA 0.05 0.03 0.67 -0.75 4.63 4.62 1dwiM1 HIS 436 HB2 -0.12 0.17 0.12 -0.04 3.26 3.40 1dwiM1 HIS 436 HB3 0.04 -0.04 -0.03 -0.04 3.20 3.12 1dwiM1 HIS 436 HD2 0.15 -0.06 -0.03 -0.04 6.97 6.98 1dwiM1 HIS 436 HE1 -0.78 -0.06 -0.06 -0.04 7.75 6.81 1dwiM1 LEU 437 H 0.01 0.65 -0.06 -0.55 8.37 8.42 1dwiM1 LEU 437 HA 0.06 -0.00 0.47 -0.75 4.35 4.12 1dwiM1 LEU 437 HB2 0.01 0.07 0.11 -0.04 1.64 1.78 1dwiM1 LEU 437 HB3 0.15 0.01 -0.07 -0.04 1.64 1.69 1dwiM1 LEU 437 HG -0.45 -0.00 -0.01 -0.04 1.64 1.14 1dwiM1 LEU 437 HD13 -0.51 -0.01 -0.15 -0.04 0.93 0.23 1dwiM1 LEU 437 HD23 -0.68 -0.01 -0.07 -0.04 0.89 0.09 1dwiM1 CYS 438 H 0.03 0.56 -0.24 -0.55 8.50 8.30 1dwiM1 CYS 438 HA 0.01 0.08 0.42 -0.75 4.58 4.34 1dwiM1 CYS 438 HB2 -0.02 0.07 0.14 -0.04 2.97 3.12 1dwiM1 CYS 438 HB3 -0.14 0.06 0.14 -0.04 2.97 2.99 1dwiM1 PHE 439 H 0.10 0.41 -0.21 -0.55 8.34 8.10 1dwiM1 PHE 439 HA 0.03 0.02 0.41 -0.75 4.62 4.33 1dwiM1 PHE 439 HB2 -0.10 0.17 0.11 -0.04 3.15 3.29 1dwiM1 PHE 439 HB3 0.00 -0.15 -0.04 -0.04 3.06 2.84 1dwiM1 PHE 439 HD2 -0.12 0.09 -0.06 -0.04 7.28 7.15 1dwiM1 PHE 439 HE2 -0.19 0.10 -0.19 -0.04 7.38 7.07 1dwiM1 PHE 439 HZ -0.12 0.04 -0.15 -0.04 7.32 7.05 1dwiM1 LEU 440 H 0.16 0.55 -0.29 -0.55 8.37 8.24 1dwiM1 LEU 440 HA 0.11 -0.02 0.42 -0.75 4.35 4.11 1dwiM1 LEU 440 HB2 0.17 0.02 0.03 -0.04 1.64 1.82 1dwiM1 LEU 440 HB3 0.26 0.12 0.10 -0.04 1.64 2.07 1dwiM1 LEU 440 HG 0.30 0.03 -0.19 -0.04 1.64 1.74 1dwiM1 LEU 440 HD13 0.13 -0.03 -0.04 -0.04 0.93 0.95 1dwiM1 LEU 440 HD23 0.33 0.00 -0.10 -0.04 0.89 1.08 1dwiM1 ASN 441 H 0.04 0.66 -0.10 -0.55 8.53 8.59 1dwiM1 ASN 441 HA -0.45 0.03 0.47 -0.75 4.76 4.06 1dwiM1 ASN 441 HB2 -0.91 0.02 0.06 -0.04 2.88 2.01 1dwiM1 ASN 441 HB3 -0.23 0.10 0.14 -0.04 2.79 2.75 1dwiM1 ASN 441 HD21 -0.22 0.04 -0.04 -0.04 7.03 6.77 1dwiM1 ASN 441 HD22 -0.20 -0.03 -0.04 -0.04 7.74 7.43 1dwiM1 LYS 442 H -0.03 0.49 -0.25 -0.55 8.42 8.08 1dwiM1 LYS 442 HA -0.02 0.01 0.41 -0.75 4.32 3.98 1dwiM1 LYS 442 HB2 -0.07 0.07 0.03 -0.04 1.87 1.86 1dwiM1 LYS 442 HB3 0.21 0.06 0.12 -0.04 1.79 2.14 1dwiM1 LYS 442 HG2 0.30 -0.04 -0.14 -0.04 1.46 1.54 1dwiM1 LYS 442 HG3 0.02 -0.00 0.02 -0.04 1.46 1.46 1dwiM1 LYS 442 HD2 -0.21 -0.03 -0.16 -0.04 1.69 1.25 1dwiM1 LYS 442 HD3 -0.01 -0.05 -0.05 -0.04 1.68 1.53 1dwiM1 LYS 442 HE2 -0.09 -0.08 0.00 -0.04 2.99 2.77 1dwiM1 LYS 442 HE3 -0.11 -0.03 -0.03 -0.04 2.99 2.78 1dwiM1 VAL 443 H 0.07 0.58 -0.14 -0.55 8.24 8.20 1dwiM1 VAL 443 HA -0.37 -0.00 0.49 -0.75 4.13 3.49 1dwiM1 VAL 443 HB -0.38 0.02 0.16 -0.04 2.12 1.88 1dwiM1 VAL 443 HG13 -0.09 0.04 -0.01 -0.04 0.97 0.87 1dwiM1 VAL 443 HG23 -0.81 -0.00 0.04 -0.04 0.95 0.14 1dwiM1 ILE 444 H -0.05 0.57 -0.14 -0.55 8.25 8.07 1dwiM1 ILE 444 HA -0.02 -0.01 0.58 -0.75 4.18 3.97 1dwiM1 ILE 444 HB -0.08 0.10 0.21 -0.04 1.89 2.08 1dwiM1 ILE 444 HG12 0.08 0.03 0.10 -0.04 1.49 1.65 1dwiM1 ILE 444 HG13 0.04 0.01 0.09 -0.04 1.21 1.32 1dwiM1 ILE 444 HG23 0.02 0.02 -0.03 -0.04 0.93 0.90 1dwiM1 ILE 444 HD13 0.20 -0.03 -0.07 -0.04 0.88 0.94 1dwiM1 LYS 445 H -0.07 0.58 -0.09 -0.55 8.42 8.29 1dwiM1 LYS 445 HA -0.03 0.05 0.46 -0.75 4.32 4.04 1dwiM1 LYS 445 HB2 -0.05 0.07 0.18 -0.04 1.87 2.02 1dwiM1 LYS 445 HB3 -0.04 -0.06 0.00 -0.04 1.79 1.65 1dwiM1 LYS 445 HG2 -0.07 -0.04 0.04 -0.04 1.46 1.35 1dwiM1 LYS 445 HG3 -0.13 0.08 0.09 -0.04 1.46 1.46 1dwiM1 LYS 445 HD2 -0.13 -0.02 -0.03 -0.04 1.69 1.46 1dwiM1 LYS 445 HD3 -0.07 -0.06 0.00 -0.04 1.68 1.51 1dwiM1 LYS 445 HE2 -0.10 -0.02 0.03 -0.04 2.99 2.85 1dwiM1 LYS 445 HE3 -0.07 -0.07 0.01 -0.04 2.99 2.82 1dwiM1 GLU 446 H -0.01 0.56 -0.02 -0.55 8.60 8.58 1dwiM1 GLU 446 HA 0.02 0.11 0.69 -0.75 4.29 4.35 1dwiM1 GLU 446 HB2 0.13 0.02 0.08 -0.04 2.09 2.28 1dwiM1 GLU 446 HB3 0.10 -0.07 -0.00 -0.04 1.99 1.98 1dwiM1 GLU 446 HG2 0.05 -0.03 0.03 -0.04 2.34 2.35 1dwiM1 GLU 446 HG3 0.06 0.09 0.09 -0.04 2.34 2.54 1dwiM1 LYS 447 H -0.07 0.46 -0.02 -0.55 8.42 8.24 1dwiM1 LYS 447 HA -0.02 0.18 0.93 -0.75 4.32 4.66 1dwiM1 LYS 447 HB2 -0.18 0.08 0.08 -0.04 1.87 1.81 1dwiM1 LYS 447 HB3 -0.08 -0.03 0.10 -0.04 1.79 1.75 1dwiM1 LYS 447 HG2 -0.12 -0.06 -0.15 -0.04 1.46 1.09 1dwiM1 LYS 447 HG3 -0.25 -0.08 -0.01 -0.04 1.46 1.08 1dwiM1 LYS 447 HD2 -0.01 -0.01 0.02 -0.04 1.69 1.66 1dwiM1 LYS 447 HD3 0.02 0.19 -0.07 -0.04 1.68 1.77 1dwiM1 LYS 447 HE2 0.19 -0.02 -0.08 -0.04 2.99 3.04 1dwiM1 LYS 447 HE3 0.11 -0.06 -0.04 -0.04 2.99 2.96 1dwiM1 ASP 448 H -0.03 0.29 -0.15 -0.55 8.40 7.97 1dwiM1 ASP 448 HA -0.00 0.24 0.40 -0.75 4.63 4.51 1dwiM1 ASP 448 HB2 0.00 -0.03 -0.25 -0.04 2.71 2.39 1dwiM1 ASP 448 HB3 0.01 0.07 0.06 -0.04 2.70 2.79 1dwiM1 VAL 449 H -0.04 0.09 -0.20 -0.55 8.24 7.54 1dwiM1 VAL 449 HA 0.02 0.11 0.60 -0.75 4.13 4.10 1dwiM1 VAL 449 HB -0.02 0.00 -0.10 -0.04 2.12 1.96 1dwiM1 VAL 449 HG13 0.03 -0.01 -0.15 -0.04 0.97 0.79 1dwiM1 VAL 449 HG23 -0.08 -0.04 -0.24 -0.04 0.95 0.55 1dwiM1 ASN 450 H 0.05 0.23 0.07 -0.55 8.53 8.33 1dwiM1 ASN 450 HA 0.03 0.13 0.47 -0.75 4.76 4.64 1dwiM1 ASN 450 HB2 0.05 0.06 0.05 -0.04 2.88 3.00 1dwiM1 ASN 450 HB3 0.06 0.21 0.18 -0.04 2.79 3.20 1dwiM1 ASN 450 HD21 0.06 -0.03 0.02 -0.04 7.03 7.03 1dwiM1 ASN 450 HD22 0.08 0.09 -0.03 -0.04 7.74 7.84 1dwiM1 VAL 451 H 0.05 0.48 -0.06 -0.55 8.24 8.17 1dwiM1 VAL 451 HA -0.11 0.26 0.94 -0.75 4.13 4.46 1dwiM1 VAL 451 HB 0.19 0.03 0.06 -0.04 2.12 2.37 1dwiM1 VAL 451 HG13 0.12 -0.04 -0.11 -0.04 0.97 0.90 1dwiM1 VAL 451 HG23 0.04 -0.02 -0.18 -0.04 0.95 0.75 1dwiM1 LYS 452 H -0.63 0.51 0.40 -0.55 8.42 8.15 1dwiM1 LYS 452 HA -0.31 0.19 0.87 -0.75 4.32 4.32 1dwiM1 LYS 452 HB2 -0.83 0.02 0.05 -0.04 1.87 1.06 1dwiM1 LYS 452 HB3 -0.22 0.02 0.12 -0.04 1.79 1.67 1dwiM1 LYS 452 HG2 -0.06 0.05 -0.22 -0.04 1.46 1.20 1dwiM1 LYS 452 HG3 -0.16 0.03 -0.37 -0.04 1.46 0.91 1dwiM1 LYS 452 HD2 0.01 0.01 -0.07 -0.04 1.69 1.59 1dwiM1 LYS 452 HD3 0.01 0.00 -0.05 -0.04 1.68 1.60 1dwiM1 LYS 452 HE2 0.06 0.01 -0.03 -0.04 2.99 2.98 1dwiM1 LYS 452 HE3 0.00 0.02 -0.04 -0.04 2.99 2.94 1dwiM1 GLY 453 H -0.67 0.19 0.24 -0.55 8.43 7.64 1dwiM1 GLY 453 HA2 -1.59 0.25 0.66 -0.51 4.01 2.82 1dwiM1 GLY 453 HA3 -0.40 0.04 0.29 -0.51 4.01 3.43 1dwiM1 TYR 454 H -0.22 0.71 0.24 -0.55 8.29 8.47 1dwiM1 TYR 454 HA -0.02 0.10 0.83 -0.75 4.56 4.71 1dwiM1 TYR 454 HB2 0.25 0.01 -0.17 -0.04 3.06 3.10 1dwiM1 TYR 454 HB3 0.22 0.07 0.07 -0.04 2.98 3.30 1dwiM1 TYR 454 HD2 0.29 -0.01 -0.12 -0.04 7.15 7.27 1dwiM1 TYR 454 HE2 0.02 -0.02 -0.12 -0.04 6.85 6.69 1dwiM1 LEU 455 H -0.37 0.58 0.04 -0.55 8.37 8.08 1dwiM1 LEU 455 HA -0.06 0.14 0.41 -0.75 4.35 4.10 1dwiM1 LEU 455 HB2 -0.17 0.01 -0.13 -0.04 1.64 1.31 1dwiM1 LEU 455 HB3 -0.08 -0.03 -0.45 -0.04 1.64 1.04 1dwiM1 LEU 455 HG -0.36 -0.03 -0.55 -0.04 1.64 0.66 1dwiM1 LEU 455 HD13 -0.62 -0.02 -0.24 -0.04 0.93 0.01 1dwiM1 LEU 455 HD23 -0.20 0.04 -0.41 -0.04 0.89 0.28 1dwiM1 ALA 456 H -0.05 0.65 0.24 -0.55 8.40 8.70 1dwiM1 ALA 456 HA -0.23 0.12 0.59 -0.75 4.34 4.07 1dwiM1 ALA 456 HB3 -0.05 0.02 0.05 -0.04 1.41 1.39 1dwiM1 TRP 457 H 0.19 0.42 0.18 -0.55 7.97 8.21 1dwiM1 TRP 457 HA -0.00 0.06 0.76 -0.75 4.62 4.68 1dwiM1 TRP 457 HB2 -0.00 -0.07 -0.02 -0.04 3.23 3.10 1dwiM1 TRP 457 HB3 0.09 -0.02 -0.13 -0.04 3.23 3.13 1dwiM1 TRP 457 HD1 -0.50 0.01 -0.32 -0.04 7.22 6.37 1dwiM1 TRP 457 HE1 -0.50 -0.04 -0.15 -0.04 10.20 9.47 1dwiM1 TRP 457 HE3 -0.03 0.09 -0.14 -0.04 7.59 7.46 1dwiM1 TRP 457 HZ2 -0.20 -0.02 -0.09 -0.04 7.44 7.10 1dwiM1 TRP 457 HZ3 -0.07 0.10 -0.31 -0.04 7.13 6.81 1dwiM1 TRP 457 HH2 -0.24 -0.14 -0.28 -0.04 7.19 6.49 1dwiM1 ALA 458 H -0.12 0.44 0.08 -0.55 8.40 8.25 1dwiM1 ALA 458 HA -0.75 0.17 0.54 -0.75 4.34 3.54 1dwiM1 ALA 458 HB3 -1.29 -0.02 -0.03 -0.04 1.41 0.04 1dwiM1 LEU 459 H -0.28 0.52 0.24 -0.55 8.37 8.30 1dwiM1 LEU 459 HA -0.05 0.08 0.43 -0.75 4.35 4.06 1dwiM1 LEU 459 HB2 0.02 0.04 -0.00 -0.04 1.64 1.66 1dwiM1 LEU 459 HB3 -0.05 -0.07 0.04 -0.04 1.64 1.52 1dwiM1 LEU 459 HG -0.08 0.02 -0.04 -0.04 1.64 1.49 1dwiM1 LEU 459 HD13 -0.32 0.04 -0.08 -0.04 0.93 0.53 1dwiM1 LEU 459 HD23 -0.07 -0.01 -0.30 -0.04 0.89 0.47 1dwiM1 GLY 460 H -0.16 0.17 -0.10 -0.55 8.43 7.80 1dwiM1 GLY 460 HA2 -0.06 0.12 0.71 -0.51 4.01 4.27 1dwiM1 GLY 460 HA3 -0.06 0.11 0.26 -0.51 4.01 3.80 1dwiM1 ASP 461 H -0.07 0.36 0.22 -0.55 8.40 8.37 1dwiM1 ASP 461 HA 0.14 -0.17 0.71 -0.75 4.63 4.56 1dwiM1 ASP 461 HB2 -0.21 -0.01 0.18 -0.04 2.71 2.63 1dwiM1 ASP 461 HB3 0.33 0.09 0.16 -0.04 2.70 3.24 1dwiM1 ASN 462 H 0.32 0.22 0.25 -0.55 8.53 8.77 1dwiM1 ASN 462 HA 0.48 0.07 0.67 -0.75 4.76 5.22 1dwiM1 ASN 462 HB2 0.09 0.16 0.04 -0.04 2.88 3.13 1dwiM1 ASN 462 HB3 0.09 0.10 -0.41 -0.04 2.79 2.53 1dwiM1 ASN 462 HD21 -0.21 -0.06 -0.09 -0.04 7.03 6.63 1dwiM1 ASN 462 HD22 -0.20 0.20 -0.09 -0.04 7.74 7.61 1dwiM1 TYR 463 H 0.09 0.46 0.26 -0.55 8.29 8.54 1dwiM1 TYR 463 HA -1.06 0.16 0.59 -0.75 4.56 3.50 1dwiM1 TYR 463 HB2 -0.43 0.03 -0.06 -0.04 3.06 2.56 1dwiM1 TYR 463 HB3 -0.32 -0.02 0.13 -0.04 2.98 2.73 1dwiM1 TYR 463 HD2 -0.58 -0.07 -0.31 -0.04 7.15 6.14 1dwiM1 TYR 463 HE2 -0.15 0.09 -0.17 -0.04 6.85 6.58 1dwiM1 GLU 464 H -0.79 0.69 0.22 -0.55 8.60 8.17 1dwiM1 GLU 464 HA -0.36 0.04 0.71 -0.75 4.29 3.93 1dwiM1 GLU 464 HB2 0.05 -0.01 -0.07 -0.04 2.09 2.02 1dwiM1 GLU 464 HB3 -0.20 0.07 0.05 -0.04 1.99 1.86 1dwiM1 GLU 464 HG2 0.16 -0.03 -0.14 -0.04 2.34 2.29 1dwiM1 GLU 464 HG3 -0.05 0.17 -0.36 -0.04 2.34 2.06 1dwiM1 PHE 465 H -0.42 0.11 0.07 -0.55 8.34 7.55 1dwiM1 PHE 465 HA -0.15 0.00 0.37 -0.75 4.62 4.08 1dwiM1 PHE 465 HB2 -0.04 0.01 0.05 -0.04 3.15 3.13 1dwiM1 PHE 465 HB3 -0.05 0.07 -0.03 -0.04 3.06 3.02 1dwiM1 PHE 465 HD2 -1.25 0.04 -0.00 -0.04 7.28 6.03 1dwiM1 PHE 465 HE2 -1.00 -0.05 -0.05 -0.04 7.38 6.24 1dwiM1 PHE 465 HZ -0.25 -0.06 -0.02 -0.04 7.32 6.95 1dwiM1 ASN 466 H 0.51 0.15 0.24 -0.55 8.53 8.89 1dwiM1 ASN 466 HA 0.38 0.30 0.36 -0.75 4.76 5.04 1dwiM1 ASN 466 HB2 0.16 0.07 0.08 -0.04 2.88 3.15 1dwiM1 ASN 466 HB3 0.20 0.02 0.08 -0.04 2.79 3.05 1dwiM1 ASN 466 HD21 0.40 -0.16 -0.20 -0.04 7.03 7.02 1dwiM1 ASN 466 HD22 0.41 0.32 0.08 -0.04 7.74 8.51 1dwiM1 LYS 467 H -0.12 0.50 -0.50 -0.55 8.42 7.75 1dwiM1 LYS 467 HA 0.03 0.17 0.97 -0.75 4.32 4.74 1dwiM1 LYS 467 HB2 -0.08 0.03 -0.08 -0.04 1.87 1.71 1dwiM1 LYS 467 HB3 -0.02 -0.16 0.04 -0.04 1.79 1.62 1dwiM1 LYS 467 HG2 0.05 0.17 -0.28 -0.04 1.46 1.36 1dwiM1 LYS 467 HG3 0.06 -0.06 -0.13 -0.04 1.46 1.29 1dwiM1 LYS 467 HD2 0.03 -0.09 -0.05 -0.04 1.69 1.54 1dwiM1 LYS 467 HD3 0.06 0.16 -0.13 -0.04 1.68 1.73 1dwiM1 LYS 467 HE2 0.06 -0.03 -0.07 -0.04 2.99 2.91 1dwiM1 LYS 467 HE3 0.09 0.07 -0.14 -0.04 2.99 2.97 1dwiM1 GLY 468 H -0.23 0.41 0.18 -0.55 8.43 8.24 1dwiM1 GLY 468 HA2 -0.10 0.09 0.21 -0.51 4.01 3.70 1dwiM1 GLY 468 HA3 -0.03 -0.15 0.52 -0.51 4.01 3.85 1dwiM1 PHE 469 H 0.00 0.11 0.22 -0.55 8.34 8.11 1dwiM1 PHE 469 HA -0.16 0.31 0.93 -0.75 4.62 4.94 1dwiM1 PHE 469 HB2 -0.32 0.00 0.12 -0.04 3.15 2.92 1dwiM1 PHE 469 HB3 -0.58 0.04 0.18 -0.04 3.06 2.66 1dwiM1 PHE 469 HD2 -0.80 0.03 -0.05 -0.04 7.28 6.43 1dwiM1 PHE 469 HE2 -0.45 -0.09 -0.10 -0.04 7.38 6.70 1dwiM1 PHE 469 HZ -0.24 -0.03 0.06 -0.04 7.32 7.07 1dwiM1 THR 470 H -0.03 0.51 -0.08 -0.55 8.28 8.12 1dwiM1 THR 470 HA 0.06 0.07 0.43 -0.75 4.39 4.20 1dwiM1 THR 470 HB 0.03 -0.06 0.20 -0.04 4.32 4.44 1dwiM1 THR 470 HG23 0.04 -0.02 0.08 -0.04 1.22 1.28 1dwiM1 VAL 471 H 0.01 0.26 -0.23 -0.55 8.24 7.72 1dwiM1 VAL 471 HA -0.02 0.10 0.82 -0.75 4.13 4.28 1dwiM1 VAL 471 HB -0.19 0.03 0.01 -0.04 2.12 1.92 1dwiM1 VAL 471 HG13 -0.06 -0.02 -0.19 -0.04 0.97 0.67 1dwiM1 VAL 471 HG23 0.05 -0.01 -0.22 -0.04 0.95 0.72 1dwiM1 ARG 472 H -0.08 0.65 0.30 -0.55 8.46 8.78 1dwiM1 ARG 472 HA 0.15 0.12 0.95 -0.75 4.34 4.81 1dwiM1 ARG 472 HB2 0.02 0.05 0.06 -0.04 1.90 2.00 1dwiM1 ARG 472 HB3 0.07 -0.05 0.01 -0.04 1.80 1.78 1dwiM1 ARG 472 HG2 0.23 -0.01 -0.02 -0.04 1.67 1.82 1dwiM1 ARG 472 HG3 0.15 0.02 -0.32 -0.04 1.67 1.48 1dwiM1 ARG 472 HD2 0.13 0.04 -0.09 -0.04 3.22 3.26 1dwiM1 ARG 472 HD3 0.08 -0.07 -0.03 -0.04 3.22 3.17 1dwiM1 PHE 473 H 0.25 0.07 0.16 -0.55 8.34 8.27 1dwiM1 PHE 473 HA 0.02 0.38 0.98 -0.75 4.62 5.25 1dwiM1 PHE 473 HB2 0.15 -0.04 -0.08 -0.04 3.15 3.14 1dwiM1 PHE 473 HB3 0.17 -0.00 -0.17 -0.04 3.06 3.01 1dwiM1 PHE 473 HD2 0.18 0.02 -0.29 -0.04 7.28 7.15 1dwiM1 PHE 473 HE2 0.02 0.05 -0.27 -0.04 7.38 7.14 1dwiM1 PHE 473 HZ -0.09 0.03 -0.14 -0.04 7.32 7.07 1dwiM1 GLY 474 H 0.08 -0.07 -0.06 -0.55 8.43 7.83 1dwiM1 GLY 474 HA2 -0.05 0.16 -0.01 -0.51 4.01 3.61 1dwiM1 GLY 474 HA3 -0.01 -0.01 -0.07 -0.51 4.01 3.42 1dwiM1 LEU 475 H -0.02 0.65 0.12 -0.55 8.37 8.57 1dwiM1 LEU 475 HA 0.04 0.03 0.75 -0.75 4.35 4.40 1dwiM1 LEU 475 HB2 0.03 0.15 0.10 -0.04 1.64 1.89 1dwiM1 LEU 475 HB3 0.08 -0.11 0.06 -0.04 1.64 1.63 1dwiM1 LEU 475 HG 0.06 -0.12 -0.09 -0.04 1.64 1.44 1dwiM1 LEU 475 HD13 0.01 0.02 -0.19 -0.04 0.93 0.72 1dwiM1 LEU 475 HD23 -0.03 0.01 -0.10 -0.04 0.89 0.74 1dwiM1 SER 476 H -0.01 0.24 0.03 -0.55 8.46 8.16 1dwiM1 SER 476 HA 0.01 0.13 0.67 -0.75 4.49 4.54 1dwiM1 SER 476 HB2 -0.03 -0.08 -0.42 -0.04 3.95 3.38 1dwiM1 SER 476 HB3 -0.02 0.05 -0.18 -0.04 3.93 3.74 1dwiM1 TYR 477 H 0.08 0.77 0.22 -0.55 8.29 8.81 1dwiM1 TYR 477 HA -0.12 0.01 0.65 -0.75 4.56 4.35 1dwiM1 TYR 477 HB2 -0.09 0.03 -0.03 -0.04 3.06 2.93 1dwiM1 TYR 477 HB3 -0.11 0.04 0.10 -0.04 2.98 2.97 1dwiM1 TYR 477 HD2 -0.12 0.00 -0.23 -0.04 7.15 6.76 1dwiM1 TYR 477 HE2 -0.11 -0.01 -0.16 -0.04 6.85 6.53 1dwiM1 ILE 478 H -0.85 0.17 0.20 -0.55 8.25 7.22 1dwiM1 ILE 478 HA -0.48 0.32 0.83 -0.75 4.18 4.10 1dwiM1 ILE 478 HB -1.04 -0.11 0.04 -0.04 1.89 0.74 1dwiM1 ILE 478 HG12 -0.27 0.34 -0.01 -0.04 1.49 1.51 1dwiM1 ILE 478 HG13 -0.27 -0.25 -0.39 -0.04 1.21 0.25 1dwiM1 ILE 478 HG23 -0.69 0.04 -0.20 -0.04 0.93 0.04 1dwiM1 ILE 478 HD13 -0.09 0.09 -0.04 -0.04 0.88 0.80 1dwiM1 ASP 479 H -0.41 0.33 0.05 -0.55 8.40 7.82 1dwiM1 ASP 479 HA -0.47 0.07 0.62 -0.75 4.63 4.10 1dwiM1 ASP 479 HB2 0.00 0.03 0.04 -0.04 2.71 2.75 1dwiM1 ASP 479 HB3 -0.15 0.24 0.15 -0.04 2.70 2.90 1dwiM1 TRP 480 H -0.35 0.22 0.13 -0.55 7.97 7.42 1dwiM1 TRP 480 HA -0.16 0.13 0.17 -0.75 4.62 4.01 1dwiM1 TRP 480 HB2 -0.13 0.01 0.05 -0.04 3.23 3.11 1dwiM1 TRP 480 HB3 -0.26 0.00 0.06 -0.04 3.23 2.99 1dwiM1 TRP 480 HD1 -0.06 0.03 0.06 -0.04 7.22 7.20 1dwiM1 TRP 480 HE1 0.05 0.05 0.03 -0.04 10.20 10.28 1dwiM1 TRP 480 HE3 -0.25 0.04 -0.16 -0.04 7.59 7.18 1dwiM1 TRP 480 HZ2 0.15 -0.07 -0.18 -0.04 7.44 7.30 1dwiM1 TRP 480 HZ3 -0.01 -0.00 -0.61 -0.04 7.13 6.47 1dwiM1 TRP 480 HH2 0.14 0.08 -0.37 -0.04 7.19 6.99 1dwiM1 ASN 481 H 0.01 0.01 -0.42 -0.55 8.53 7.58 1dwiM1 ASN 481 HA 0.04 0.16 0.68 -0.75 4.76 4.89 1dwiM1 ASN 481 HB2 0.01 -0.04 -0.05 -0.04 2.88 2.76 1dwiM1 ASN 481 HB3 0.01 0.03 0.03 -0.04 2.79 2.83 1dwiM1 ASN 481 HD21 0.04 0.03 -0.02 -0.04 7.03 7.04 1dwiM1 ASN 481 HD22 0.03 -0.01 -0.02 -0.04 7.74 7.70 1dwiM1 ASN 482 H -0.06 0.43 -0.45 -0.55 8.53 7.91 1dwiM1 ASN 482 HA -0.01 0.04 0.36 -0.75 4.76 4.39 1dwiM1 ASN 482 HB2 -0.03 0.16 -0.06 -0.04 2.88 2.91 1dwiM1 ASN 482 HB3 -0.06 -0.07 0.09 -0.04 2.79 2.72 1dwiM1 ASN 482 HD21 -0.06 -0.00 0.01 -0.04 7.03 6.94 1dwiM1 ASN 482 HD22 -0.04 0.01 0.02 -0.04 7.74 7.69 1dwiM1 VAL 483 H -0.00 0.17 -0.00 -0.55 8.24 7.85 1dwiM1 VAL 483 HA -0.21 0.13 0.22 -0.75 4.13 3.51 1dwiM1 VAL 483 HB 0.02 0.02 0.10 -0.04 2.12 2.21 1dwiM1 VAL 483 HG13 0.15 0.04 -0.11 -0.04 0.97 1.00 1dwiM1 VAL 483 HG23 0.19 0.01 -0.18 -0.04 0.95 0.93 1dwiM1 THR 484 H -0.23 0.01 -0.45 -0.55 8.28 7.07 1dwiM1 THR 484 HA -1.23 0.06 0.21 -0.75 4.39 2.67 1dwiM1 THR 484 HB -0.29 -0.05 0.08 -0.04 4.32 4.02 1dwiM1 THR 484 HG23 -0.50 0.00 -0.14 -0.04 1.22 0.55 1dwiM1 ASP 485 H -0.21 0.04 -0.03 -0.55 8.40 7.65 1dwiM1 ASP 485 HA -0.18 0.08 0.56 -0.75 4.63 4.34 1dwiM1 ASP 485 HB2 -0.12 -0.04 0.05 -0.04 2.71 2.57 1dwiM1 ASP 485 HB3 -0.10 0.02 -0.12 -0.04 2.70 2.46 1dwiM1 ARG 486 H -0.11 0.20 0.12 -0.55 8.46 8.11 1dwiM1 ARG 486 HA -0.12 0.28 0.75 -0.75 4.34 4.50 1dwiM1 ARG 486 HB2 -0.09 0.02 0.13 -0.04 1.90 1.93 1dwiM1 ARG 486 HB3 -0.08 -0.06 -0.05 -0.04 1.80 1.57 1dwiM1 ARG 486 HG2 -0.07 -0.08 -0.14 -0.04 1.67 1.34 1dwiM1 ARG 486 HG3 -0.11 0.12 -0.19 -0.04 1.67 1.44 1dwiM1 ARG 486 HD2 -0.12 0.18 -0.21 -0.04 3.22 3.03 1dwiM1 ARG 486 HD3 -0.09 -0.02 -0.22 -0.04 3.22 2.85 1dwiM1 ASP 487 H -0.01 0.56 0.17 -0.55 8.40 8.57 1dwiM1 ASP 487 HA -0.04 0.19 0.92 -0.75 4.63 4.95 1dwiM1 ASP 487 HB2 0.03 -0.07 0.10 -0.04 2.71 2.74 1dwiM1 ASP 487 HB3 -0.03 0.08 -0.04 -0.04 2.70 2.67 1dwiM1 LEU 488 H -0.02 0.19 0.18 -0.55 8.37 8.17 1dwiM1 LEU 488 HA 0.00 0.05 0.40 -0.75 4.35 4.05 1dwiM1 LEU 488 HB2 -0.01 -0.02 0.11 -0.04 1.64 1.68 1dwiM1 LEU 488 HB3 0.02 -0.01 -0.03 -0.04 1.64 1.57 1dwiM1 LEU 488 HG -0.02 -0.02 0.08 -0.04 1.64 1.64 1dwiM1 LEU 488 HD13 -0.00 0.03 -0.18 -0.04 0.93 0.74 1dwiM1 LEU 488 HD23 0.01 -0.01 -0.04 -0.04 0.89 0.81 1dwiM1 LYS 489 H 0.02 0.54 0.44 -0.55 8.42 8.87 1dwiM1 LYS 489 HA -0.04 0.12 0.69 -0.75 4.32 4.34 1dwiM1 LYS 489 HB2 0.01 -0.10 0.14 -0.04 1.87 1.89 1dwiM1 LYS 489 HB3 -0.04 0.00 0.31 -0.04 1.79 2.03 1dwiM1 LYS 489 HG2 0.03 -0.02 -0.03 -0.04 1.46 1.39 1dwiM1 LYS 489 HG3 0.04 -0.05 -0.21 -0.04 1.46 1.20 1dwiM1 LYS 489 HD2 0.03 0.16 -0.13 -0.04 1.69 1.70 1dwiM1 LYS 489 HD3 0.02 0.16 0.00 -0.04 1.68 1.82 1dwiM1 LYS 489 HE2 0.21 -0.08 -0.22 -0.04 2.99 2.86 1dwiM1 LYS 489 HE3 0.07 -0.08 -0.84 -0.04 2.99 2.10 1dwiM1 LYS 490 H -0.10 0.72 0.40 -0.55 8.42 8.88 1dwiM1 LYS 490 HA -0.01 0.11 0.51 -0.75 4.32 4.18 1dwiM1 LYS 490 HB2 -0.29 -0.17 0.16 -0.04 1.87 1.52 1dwiM1 LYS 490 HB3 -0.18 0.01 0.00 -0.04 1.79 1.58 1dwiM1 LYS 490 HG2 -0.19 0.16 0.15 -0.04 1.46 1.54 1dwiM1 LYS 490 HG3 -0.56 -0.08 0.08 -0.04 1.46 0.85 1dwiM1 LYS 490 HD2 -0.00 -0.00 0.04 -0.04 1.69 1.69 1dwiM1 LYS 490 HD3 -0.02 0.03 0.05 -0.04 1.68 1.70 1dwiM1 LYS 490 HE2 -0.03 0.02 -0.01 -0.04 2.99 2.93 1dwiM1 LYS 490 HE3 0.03 -0.03 0.01 -0.04 2.99 2.96 1dwiM1 SER 491 H -0.00 0.10 -0.11 -0.55 8.46 7.90 1dwiM1 SER 491 HA 0.24 0.06 0.51 -0.75 4.49 4.54 1dwiM1 SER 491 HB2 0.14 0.07 -0.07 -0.04 3.95 4.05 1dwiM1 SER 491 HB3 0.03 -0.03 0.06 -0.04 3.93 3.96 1dwiM1 GLY 492 H 0.08 0.13 -0.07 -0.55 8.43 8.02 1dwiM1 GLY 492 HA2 0.17 0.06 0.53 -0.51 4.01 4.25 1dwiM1 GLY 492 HA3 0.08 0.11 0.35 -0.51 4.01 4.04 1dwiM1 GLN 493 H 0.08 0.55 -0.20 -0.55 8.47 8.35 1dwiM1 GLN 493 HA 0.03 0.09 0.50 -0.75 4.36 4.22 1dwiM1 GLN 493 HB2 0.08 0.02 0.15 -0.04 2.15 2.36 1dwiM1 GLN 493 HB3 0.05 -0.02 0.03 -0.04 2.02 2.04 1dwiM1 GLN 493 HG2 0.01 -0.01 -0.00 -0.04 2.40 2.36 1dwiM1 GLN 493 HG3 0.02 0.05 -0.08 -0.04 2.39 2.34 1dwiM1 GLN 493 HE21 -0.02 -0.13 -0.10 -0.04 6.97 6.68 1dwiM1 GLN 493 HE22 -0.02 0.41 -0.13 -0.04 7.69 7.91 1dwiM1 TRP 494 H 0.31 0.56 -0.05 -0.55 7.97 8.24 1dwiM1 TRP 494 HA 0.07 0.03 0.54 -0.75 4.62 4.51 1dwiM1 TRP 494 HB2 0.07 -0.06 0.15 -0.04 3.23 3.35 1dwiM1 TRP 494 HB3 0.06 0.03 0.25 -0.04 3.23 3.52 1dwiM1 TRP 494 HD1 0.10 0.07 0.12 -0.04 7.22 7.46 1dwiM1 TRP 494 HE1 0.14 0.08 -0.07 -0.04 10.20 10.31 1dwiM1 TRP 494 HE3 0.02 0.14 0.05 -0.04 7.59 7.76 1dwiM1 TRP 494 HZ2 -0.07 0.08 -0.10 -0.04 7.44 7.31 1dwiM1 TRP 494 HZ3 -0.24 -0.02 -0.06 -0.04 7.13 6.77 1dwiM1 TRP 494 HH2 -0.40 0.01 -0.20 -0.04 7.19 6.55 1dwiM1 TYR 495 H 0.21 0.54 -0.14 -0.55 8.29 8.35 1dwiM1 TYR 495 HA -1.26 -0.02 0.34 -0.75 4.56 2.87 1dwiM1 TYR 495 HB2 0.04 0.00 0.12 -0.04 3.06 3.18 1dwiM1 TYR 495 HB3 -0.07 0.08 0.14 -0.04 2.98 3.08 1dwiM1 TYR 495 HD2 -0.47 -0.03 -0.02 -0.04 7.15 6.58 1dwiM1 TYR 495 HE2 -0.15 0.00 -0.09 -0.04 6.85 6.58 1dwiM1 GLN 496 H -0.04 0.51 -0.18 -0.55 8.47 8.21 1dwiM1 GLN 496 HA -0.18 0.19 0.54 -0.75 4.36 4.15 1dwiM1 GLN 496 HB2 -0.05 -0.03 0.14 -0.04 2.15 2.17 1dwiM1 GLN 496 HB3 -0.05 0.08 0.19 -0.04 2.02 2.19 1dwiM1 GLN 496 HG2 -0.08 -0.02 -0.13 -0.04 2.40 2.13 1dwiM1 GLN 496 HG3 -0.08 0.21 0.13 -0.04 2.39 2.62 1dwiM1 GLN 496 HE21 -0.03 -0.18 0.03 -0.04 6.97 6.74 1dwiM1 GLN 496 HE22 -0.04 0.62 0.12 -0.04 7.69 8.34 1dwiM1 THR 497 H -0.16 0.34 -0.22 -0.55 8.28 7.70 1dwiM1 THR 497 HA -0.12 0.19 0.45 -0.75 4.39 4.16 1dwiM1 THR 497 HB -0.11 0.07 0.21 -0.04 4.32 4.46 1dwiM1 THR 497 HG23 -0.03 -0.02 -0.01 -0.04 1.22 1.12 1dwiM1 PHE 498 H -0.48 0.64 0.00 -0.55 8.34 7.95 1dwiM1 PHE 498 HA -0.30 -0.02 0.56 -0.75 4.62 4.11 1dwiM1 PHE 498 HB2 -1.05 -0.05 0.07 -0.04 3.15 2.08 1dwiM1 PHE 498 HB3 -0.94 0.09 0.17 -0.04 3.06 2.34 1dwiM1 PHE 498 HD2 -0.34 0.15 -0.21 -0.04 7.28 6.84 1dwiM1 PHE 498 HE2 -1.09 0.01 -0.23 -0.04 7.38 6.03 1dwiM1 PHE 498 HZ -0.52 0.02 -0.23 -0.04 7.32 6.55 1dwiM1 ILE 499 H -0.31 0.64 -0.19 -0.55 8.25 7.84 1dwiM1 ILE 499 HA -0.44 -0.09 0.46 -0.75 4.18 3.35 1dwiM1 ILE 499 HB -0.28 0.21 0.19 -0.04 1.89 1.97 1dwiM1 ILE 499 HG12 -0.40 -0.12 0.01 -0.04 1.49 0.94 1dwiM1 ILE 499 HG13 -0.63 0.00 0.05 -0.04 1.21 0.59 1dwiM1 ILE 499 HG23 -0.12 -0.00 -0.07 -0.04 0.93 0.71 1dwiM1 ILE 499 HD13 -0.65 -0.02 -0.14 -0.04 0.88 0.03 1dwiM1 SER 500 H -0.20 0.47 -0.24 -0.55 8.46 7.95 1dwiM1 SER 500 HA -0.12 0.10 0.87 -0.75 4.49 4.59 1dwiM1 SER 500 HB2 -0.10 0.03 0.21 -0.04 3.95 4.05 1dwiM1 SER 500 HB3 -0.07 -0.12 0.12 -0.04 3.93 3.81 1dwiM1 PRO 501 HA -0.10 0.20 0.29 -0.51 4.44 4.32 1dwiM1 PRO 501 HB2 -0.08 -0.05 0.05 -0.04 2.28 2.16 1dwiM1 PRO 501 HB3 -0.15 0.08 0.08 -0.04 2.02 1.98 1dwiM1 PRO 501 HG2 -0.10 -0.03 0.05 -0.04 2.03 1.92 1dwiM1 PRO 501 HG3 -0.17 -0.14 0.06 -0.04 2.03 1.73 1dwiM1 PRO 501 HD2 -0.15 0.11 0.07 -0.04 3.68 3.67 1dwiM1 PRO 501 HD3 -0.27 0.28 -0.30 -0.04 3.65 3.32