============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 40 1.000 28.196 42.215 43.066 -99.200 -91.000 PHE 42 1.000 30.750 53.735 43.949 -99.200 -91.000 PHE 46 1.000 36.718 49.490 51.249 -99.200 -91.000 PHE 58 1.000 33.551 51.568 71.216 -99.200 -91.000 HIS 68 0.900 44.346 50.918 72.700 -99.200 -91.000 PHE 71 1.000 42.290 45.919 80.555 -99.200 -91.000 TYR 82 0.840 55.061 49.554 73.509 -99.200 -91.000 TYR 87 0.840 50.173 38.630 78.141 -99.200 -91.000 TYR 100 0.840 55.475 42.424 82.365 -99.200 -91.000 PHE 103 1.000 54.739 40.026 75.710 -99.200 -91.000 HIS 110 0.900 63.637 35.629 70.100 -99.200 -91.000 HIS 114 0.900 72.147 37.779 60.015 -99.200 -91.000 PHE 121 1.000 69.743 50.284 59.804 -99.200 -91.000 HIS 122 0.900 77.188 50.325 58.106 -99.200 -91.000 PHE 124 1.000 68.456 52.157 53.235 -99.200 -91.000 HIS 129 0.900 62.245 61.435 57.295 -99.200 -91.000 PHE 144 1.000 69.061 40.575 55.337 -99.200 -91.000 TYR 145 0.840 65.422 38.525 61.251 -99.200 -91.000 HIS 146 0.900 66.310 32.429 55.769 -99.200 -91.000 HIS 156 0.900 56.950 29.689 59.750 -99.200 -91.000 PHE 162 1.000 56.898 36.485 71.552 -99.200 -91.000 TYR 176 0.840 69.139 60.571 66.927 -99.200 -91.000 TYR 178 0.840 73.530 55.141 57.928 -99.200 -91.000 PHE 184 1.000 73.880 51.510 63.103 -99.200 -91.000 TYR 186 0.840 76.070 45.418 69.190 -99.200 -91.000 TYR 193 0.840 59.663 48.433 73.535 -99.200 -91.000 PHE 197 1.000 63.541 54.674 71.012 -99.200 -91.000 PHE 202 1.000 68.411 60.967 72.944 -99.200 -91.000 TYR 209 0.840 71.646 57.878 78.220 -99.200 -91.000 HIS 226 0.900 51.921 58.332 69.615 -99.200 -91.000 HIS 229 0.900 43.672 56.656 67.343 -99.200 -91.000 PHE 249 1.000 59.560 39.353 59.327 -99.200 -91.000 TRP 260 1.040 56.962 57.660 55.378 -99.200 -91.000 TRP6 260 1.020 58.809 58.978 54.687 -99.200 -91.000 HIS 264 0.900 55.456 60.758 51.699 -99.200 -91.000 HIS 283 0.900 59.003 86.164 63.426 -99.200 -91.000 PHE 287 1.000 49.336 88.486 64.841 -99.200 -91.000 PHE 288 1.000 56.474 83.987 60.053 -99.200 -91.000 PHE 298 1.000 46.192 73.998 61.019 -99.200 -91.000 PHE 303 1.000 48.299 73.068 66.767 -99.200 -91.000 HIS 305 0.900 42.971 61.770 64.726 -99.200 -91.000 TYR 308 0.840 39.646 60.095 69.529 -99.200 -91.000 TYR 311 0.840 37.445 65.086 74.954 -99.200 -91.000 HIS 323 0.900 53.387 72.073 83.771 -99.200 -91.000 TYR 351 0.840 40.997 78.512 60.405 -99.200 -91.000 PHE 352 1.000 44.354 77.349 64.931 -99.200 -91.000 TYR 358 0.840 40.728 67.968 68.718 -99.200 -91.000 PHE 363 1.000 50.893 71.769 71.200 -99.200 -91.000 TYR 364 0.840 49.087 68.627 74.672 -99.200 -91.000 PHE 379 1.000 59.648 64.981 66.980 -99.200 -91.000 PHE 383 1.000 54.765 60.266 67.309 -99.200 -91.000 TRP 391 1.040 50.225 49.129 62.006 -99.200 -91.000 TRP6 391 1.020 52.219 50.380 61.717 -99.200 -91.000 HIS 394 0.900 43.713 46.363 64.745 -99.200 -91.000 TRP 395 1.040 49.741 40.050 59.452 -99.200 -91.000 TRP6 395 1.020 50.946 38.295 60.493 -99.200 -91.000 HIS 399 0.900 47.483 36.045 58.850 -99.200 -91.000 TYR 412 0.840 34.818 48.715 32.547 -99.200 -91.000 TYR 415 0.840 36.853 54.244 25.450 -99.200 -91.000 PHE 420 1.000 46.040 47.410 19.745 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1owcA1 ALA 1 HA -0.01 -0.15 0.21 -0.75 4.34 3.63 1owcA1 ALA 1 HB3 -0.01 0.00 -0.01 -0.04 1.41 1.35 1owcA1 ASP 2 H -0.01 0.03 0.05 -0.55 8.40 7.92 1owcA1 ASP 2 HA -0.01 0.26 0.82 -0.75 4.63 4.95 1owcA1 ASP 2 HB2 -0.01 0.06 0.09 -0.04 2.71 2.81 1owcA1 ASP 2 HB3 -0.00 -0.26 0.26 -0.04 2.70 2.65 1owcA1 THR 3 H -0.00 0.16 0.14 -0.55 8.28 8.02 1owcA1 THR 3 HA -0.00 0.18 0.67 -0.75 4.39 4.49 1owcA1 THR 3 HB -0.00 0.01 0.12 -0.04 4.32 4.40 1owcA1 THR 3 HG23 -0.00 -0.00 0.03 -0.04 1.22 1.20 1owcA1 LYS 4 H -0.01 0.03 -0.80 -0.55 8.42 7.09 1owcA1 LYS 4 HA -0.01 0.11 0.39 -0.75 4.32 4.07 1owcA1 LYS 4 HB2 -0.01 0.04 -0.04 -0.04 1.87 1.82 1owcA1 LYS 4 HB3 -0.01 0.14 0.13 -0.04 1.79 2.00 1owcA1 LYS 4 HG2 -0.01 0.05 -0.03 -0.04 1.46 1.43 1owcA1 LYS 4 HG3 -0.01 -0.29 0.02 -0.04 1.46 1.14 1owcA1 LYS 4 HD2 -0.01 0.04 0.07 -0.04 1.69 1.75 1owcA1 LYS 4 HD3 -0.01 0.07 0.03 -0.04 1.68 1.72 1owcA1 LYS 4 HE2 -0.01 0.09 0.01 -0.04 2.99 3.05 1owcA1 LYS 4 HE3 -0.01 -0.00 0.01 -0.04 2.99 2.95 1owcA1 ALA 5 H -0.01 0.07 -0.81 -0.55 8.40 7.11 1owcA1 ALA 5 HA -0.01 0.19 0.83 -0.75 4.34 4.59 1owcA1 ALA 5 HB3 -0.01 0.01 0.00 -0.04 1.41 1.37 1owcA1 LYS 6 H -0.01 0.30 0.13 -0.55 8.42 8.28 1owcA1 LYS 6 HA -0.01 0.08 0.65 -0.75 4.32 4.29 1owcA1 LYS 6 HB2 -0.01 0.01 0.03 -0.04 1.87 1.86 1owcA1 LYS 6 HB3 -0.01 0.09 -0.23 -0.04 1.79 1.60 1owcA1 LYS 6 HG2 -0.01 -0.10 -0.12 -0.04 1.46 1.19 1owcA1 LYS 6 HG3 -0.01 0.02 -0.19 -0.04 1.46 1.25 1owcA1 LYS 6 HD2 -0.01 0.01 -0.10 -0.04 1.69 1.55 1owcA1 LYS 6 HD3 -0.01 0.01 -0.11 -0.04 1.68 1.54 1owcA1 LYS 6 HE2 -0.01 -0.01 -0.06 -0.04 2.99 2.88 1owcA1 LYS 6 HE3 -0.00 -0.01 -0.07 -0.04 2.99 2.87 1owcA1 LEU 7 H -0.01 0.58 0.34 -0.55 8.37 8.74 1owcA1 LEU 7 HA -0.00 0.06 0.47 -0.75 4.35 4.13 1owcA1 LEU 7 HB2 -0.00 -0.07 0.18 -0.04 1.64 1.70 1owcA1 LEU 7 HB3 -0.00 0.16 0.02 -0.04 1.64 1.77 1owcA1 LEU 7 HG -0.00 0.04 -0.30 -0.04 1.64 1.34 1owcA1 LEU 7 HD13 -0.00 -0.02 -0.31 -0.04 0.93 0.56 1owcA1 LEU 7 HD23 0.00 -0.01 -0.09 -0.04 0.89 0.75 1owcA1 THR 8 H -0.00 0.21 0.18 -0.55 8.28 8.12 1owcA1 THR 8 HA -0.01 0.22 1.25 -0.75 4.39 5.09 1owcA1 THR 8 HB -0.01 0.09 -0.15 -0.04 4.32 4.22 1owcA1 THR 8 HG23 -0.01 -0.03 -0.31 -0.04 1.22 0.83 1owcA1 LEU 9 H -0.01 0.83 0.38 -0.55 8.37 9.03 1owcA1 LEU 9 HA -0.00 0.13 0.77 -0.75 4.35 4.49 1owcA1 LEU 9 HB2 -0.01 0.01 0.00 -0.04 1.64 1.60 1owcA1 LEU 9 HB3 -0.01 -0.02 0.10 -0.04 1.64 1.67 1owcA1 LEU 9 HG -0.00 -0.05 -0.14 -0.04 1.64 1.40 1owcA1 LEU 9 HD13 0.00 0.01 0.01 -0.04 0.93 0.91 1owcA1 LEU 9 HD23 -0.01 0.00 -0.08 -0.04 0.89 0.76 1owcA1 ASN 10 H -0.00 0.20 0.03 -0.55 8.53 8.21 1owcA1 ASN 10 HA -0.00 0.17 0.85 -0.75 4.76 5.02 1owcA1 ASN 10 HB2 -0.00 0.00 -0.35 -0.04 2.88 2.49 1owcA1 ASN 10 HB3 0.00 0.02 0.06 -0.04 2.79 2.83 1owcA1 ASN 10 HD21 -0.00 0.05 -0.27 -0.04 7.03 6.78 1owcA1 ASN 10 HD22 0.00 0.01 -0.25 -0.04 7.74 7.47 1owcA1 GLY 11 H -0.00 0.16 0.02 -0.55 8.43 8.06 1owcA1 GLY 11 HA2 0.00 0.16 0.69 -0.51 4.01 4.36 1owcA1 GLY 11 HA3 -0.00 0.02 0.31 -0.51 4.01 3.83 1owcA1 ASP 12 H -0.00 -0.02 0.11 -0.55 8.40 7.94 1owcA1 ASP 12 HA -0.00 0.19 0.61 -0.75 4.63 4.68 1owcA1 ASP 12 HB2 0.00 0.08 -0.02 -0.04 2.71 2.74 1owcA1 ASP 12 HB3 -0.00 -0.07 0.09 -0.04 2.70 2.68 1owcA1 THR 13 H -0.01 0.09 0.18 -0.55 8.28 7.99 1owcA1 THR 13 HA -0.00 0.18 0.81 -0.75 4.39 4.63 1owcA1 THR 13 HB -0.01 0.07 -0.01 -0.04 4.32 4.33 1owcA1 THR 13 HG23 -0.00 0.01 -0.02 -0.04 1.22 1.16 1owcA1 ALA 14 H -0.01 0.15 0.10 -0.55 8.40 8.10 1owcA1 ALA 14 HA -0.01 0.20 0.54 -0.75 4.34 4.32 1owcA1 ALA 14 HB3 -0.01 0.00 0.07 -0.04 1.41 1.43 1owcA1 VAL 15 H -0.01 0.53 0.42 -0.55 8.24 8.63 1owcA1 VAL 15 HA -0.01 0.09 0.70 -0.75 4.13 4.15 1owcA1 VAL 15 HB -0.02 -0.09 0.19 -0.04 2.12 2.16 1owcA1 VAL 15 HG13 -0.03 0.01 -0.13 -0.04 0.97 0.78 1owcA1 VAL 15 HG23 -0.02 0.06 0.02 -0.04 0.95 0.97 1owcA1 GLU 16 H -0.01 0.17 0.19 -0.55 8.60 8.40 1owcA1 GLU 16 HA -0.01 0.18 0.91 -0.75 4.29 4.61 1owcA1 GLU 16 HB2 -0.01 0.00 0.06 -0.04 2.09 2.10 1owcA1 GLU 16 HB3 -0.01 -0.03 0.11 -0.04 1.99 2.02 1owcA1 GLU 16 HG2 -0.01 0.13 0.01 -0.04 2.34 2.43 1owcA1 GLU 16 HG3 -0.01 -0.04 -0.06 -0.04 2.34 2.19 1owcA1 LEU 17 H -0.01 0.89 0.43 -0.55 8.37 9.14 1owcA1 LEU 17 HA -0.01 0.11 0.96 -0.75 4.35 4.65 1owcA1 LEU 17 HB2 -0.01 -0.05 -0.07 -0.04 1.64 1.47 1owcA1 LEU 17 HB3 -0.01 0.18 -0.02 -0.04 1.64 1.75 1owcA1 LEU 17 HG -0.01 -0.03 -0.41 -0.04 1.64 1.15 1owcA1 LEU 17 HD13 -0.01 -0.02 -0.15 -0.04 0.93 0.71 1owcA1 LEU 17 HD23 -0.02 0.07 -0.05 -0.04 0.89 0.84 1owcA1 ASP 18 H -0.01 0.12 0.21 -0.55 8.40 8.17 1owcA1 ASP 18 HA -0.01 0.20 0.54 -0.75 4.63 4.61 1owcA1 ASP 18 HB2 -0.01 -0.13 0.11 -0.04 2.71 2.64 1owcA1 ASP 18 HB3 -0.01 0.09 0.02 -0.04 2.70 2.76 1owcA1 VAL 19 H -0.01 0.35 -0.30 -0.55 8.24 7.73 1owcA1 VAL 19 HA -0.00 0.14 0.76 -0.75 4.13 4.26 1owcA1 VAL 19 HB -0.00 -0.05 -0.16 -0.04 2.12 1.86 1owcA1 VAL 19 HG13 -0.00 -0.01 -0.17 -0.04 0.97 0.75 1owcA1 VAL 19 HG23 -0.00 0.00 -0.32 -0.04 0.95 0.59 1owcA1 LEU 20 H -0.01 0.23 0.04 -0.55 8.37 8.09 1owcA1 LEU 20 HA -0.01 0.04 0.50 -0.75 4.35 4.13 1owcA1 LEU 20 HB2 -0.00 -0.03 0.08 -0.04 1.64 1.65 1owcA1 LEU 20 HB3 -0.01 0.06 0.08 -0.04 1.64 1.73 1owcA1 LEU 20 HG -0.01 -0.08 0.03 -0.04 1.64 1.55 1owcA1 LEU 20 HD13 -0.01 -0.00 -0.02 -0.04 0.93 0.85 1owcA1 LEU 20 HD23 -0.01 0.00 0.00 -0.04 0.89 0.85 1owcA1 LYS 21 H -0.01 0.15 0.26 -0.55 8.42 8.26 1owcA1 LYS 21 HA -0.01 0.08 0.98 -0.75 4.32 4.62 1owcA1 LYS 21 HB2 -0.02 0.05 0.12 -0.04 1.87 1.98 1owcA1 LYS 21 HB3 -0.01 0.05 0.06 -0.04 1.79 1.84 1owcA1 LYS 21 HG2 -0.02 0.01 -0.10 -0.04 1.46 1.31 1owcA1 LYS 21 HG3 -0.02 0.02 0.02 -0.04 1.46 1.43 1owcA1 LYS 21 HD2 -0.01 0.01 0.06 -0.04 1.69 1.70 1owcA1 LYS 21 HD3 -0.01 0.17 0.17 -0.04 1.68 1.96 1owcA1 LYS 21 HE2 -0.01 -0.13 0.28 -0.04 2.99 3.09 1owcA1 LYS 21 HE3 -0.02 0.01 0.07 -0.04 2.99 3.01 1owcA1 GLY 22 H -0.02 0.16 0.03 -0.55 8.43 8.06 1owcA1 GLY 22 HA2 -0.02 0.18 0.87 -0.51 4.01 4.52 1owcA1 GLY 22 HA3 -0.02 0.14 0.32 -0.51 4.01 3.95 1owcA1 THR 23 H -0.06 0.13 0.18 -0.55 8.28 7.98 1owcA1 THR 23 HA -0.07 0.17 0.72 -0.75 4.39 4.46 1owcA1 THR 23 HB -0.09 0.00 0.08 -0.04 4.32 4.27 1owcA1 THR 23 HG23 -0.05 0.01 -0.01 -0.04 1.22 1.13 1owcA1 LEU 24 H -0.13 0.16 0.09 -0.55 8.37 7.94 1owcA1 LEU 24 HA -0.27 0.14 0.52 -0.75 4.35 3.99 1owcA1 LEU 24 HB2 -0.59 -0.04 -0.07 -0.04 1.64 0.90 1owcA1 LEU 24 HB3 -1.61 -0.05 -0.05 -0.04 1.64 -0.11 1owcA1 LEU 24 HG -0.31 0.12 -0.26 -0.04 1.64 1.15 1owcA1 LEU 24 HD13 -0.58 -0.02 -0.11 -0.04 0.93 0.18 1owcA1 LEU 24 HD23 -0.35 0.01 0.07 -0.04 0.89 0.58 1owcA1 GLY 25 H -0.14 0.08 0.07 -0.55 8.43 7.90 1owcA1 GLY 25 HA2 0.20 -0.03 0.35 -0.51 4.01 4.02 1owcA1 GLY 25 HA3 0.26 0.11 0.47 -0.51 4.01 4.34 1owcA1 GLN 26 H 0.09 0.05 0.17 -0.55 8.47 8.24 1owcA1 GLN 26 HA 0.03 0.00 0.41 -0.75 4.36 4.05 1owcA1 GLN 26 HB2 0.04 -0.09 0.19 -0.04 2.15 2.25 1owcA1 GLN 26 HB3 0.03 0.18 0.00 -0.04 2.02 2.19 1owcA1 GLN 26 HG2 0.02 0.04 0.06 -0.04 2.40 2.47 1owcA1 GLN 26 HG3 0.02 -0.02 0.12 -0.04 2.39 2.47 1owcA1 GLN 26 HE21 0.02 -0.03 0.04 -0.04 6.97 6.95 1owcA1 GLN 26 HE22 0.01 0.04 0.06 -0.04 7.69 7.76 1owcA1 ASP 27 H 0.01 0.02 0.17 -0.55 8.40 8.05 1owcA1 ASP 27 HA 0.00 0.08 0.65 -0.75 4.63 4.61 1owcA1 ASP 27 HB2 0.00 -0.11 0.01 -0.04 2.71 2.58 1owcA1 ASP 27 HB3 -0.00 0.21 -0.00 -0.04 2.70 2.87 1owcA1 VAL 28 H 0.00 0.91 0.21 -0.55 8.24 8.81 1owcA1 VAL 28 HA 0.01 0.14 0.86 -0.75 4.13 4.38 1owcA1 VAL 28 HB 0.00 -0.02 -0.08 -0.04 2.12 1.98 1owcA1 VAL 28 HG13 0.01 0.02 -0.27 -0.04 0.97 0.69 1owcA1 VAL 28 HG23 -0.00 -0.01 -0.10 -0.04 0.95 0.79 1owcA1 ILE 29 H 0.01 0.18 0.08 -0.55 8.25 7.96 1owcA1 ILE 29 HA -0.00 0.31 0.83 -0.75 4.18 4.56 1owcA1 ILE 29 HB 0.00 -0.04 0.13 -0.04 1.89 1.94 1owcA1 ILE 29 HG12 0.00 -0.01 -0.08 -0.04 1.49 1.37 1owcA1 ILE 29 HG13 0.00 0.09 -0.11 -0.04 1.21 1.15 1owcA1 ILE 29 HG23 -0.00 0.01 -0.27 -0.04 0.93 0.62 1owcA1 ILE 29 HD13 0.00 -0.03 -0.17 -0.04 0.88 0.65 1owcA1 ASP 30 H -0.01 0.41 0.15 -0.55 8.40 8.41 1owcA1 ASP 30 HA -0.01 0.02 0.46 -0.75 4.63 4.35 1owcA1 ASP 30 HB2 -0.01 0.05 0.12 -0.04 2.71 2.84 1owcA1 ASP 30 HB3 -0.01 -0.09 0.27 -0.04 2.70 2.83 1owcA1 ILE 31 H -0.01 0.24 0.26 -0.55 8.25 8.19 1owcA1 ILE 31 HA -0.02 0.21 0.90 -0.75 4.18 4.52 1owcA1 ILE 31 HB -0.02 -0.06 0.16 -0.04 1.89 1.93 1owcA1 ILE 31 HG12 0.00 0.10 0.08 -0.04 1.49 1.63 1owcA1 ILE 31 HG13 0.00 -0.00 -0.21 -0.04 1.21 0.95 1owcA1 ILE 31 HG23 -0.00 0.09 -0.12 -0.04 0.93 0.86 1owcA1 ILE 31 HD13 0.03 -0.01 -0.03 -0.04 0.88 0.84 1owcA1 ARG 32 H -0.01 0.11 -0.11 -0.55 8.46 7.90 1owcA1 ARG 32 HA -0.01 0.11 0.33 -0.75 4.34 4.01 1owcA1 ARG 32 HB2 -0.02 -0.01 0.05 -0.04 1.90 1.88 1owcA1 ARG 32 HB3 -0.01 0.08 0.06 -0.04 1.80 1.88 1owcA1 ARG 32 HG2 -0.01 0.09 0.04 -0.04 1.67 1.74 1owcA1 ARG 32 HG3 -0.01 -0.07 0.05 -0.04 1.67 1.60 1owcA1 ARG 32 HD2 -0.02 0.02 0.01 -0.04 3.22 3.19 1owcA1 ARG 32 HD3 -0.01 -0.06 0.02 -0.04 3.22 3.13 1owcA1 THR 33 H -0.03 0.05 -0.47 -0.55 8.28 7.29 1owcA1 THR 33 HA -0.03 0.22 0.81 -0.75 4.39 4.63 1owcA1 THR 33 HB -0.03 0.01 0.04 -0.04 4.32 4.30 1owcA1 THR 33 HG23 -0.02 0.00 -0.05 -0.04 1.22 1.11 1owcA1 LEU 34 H -0.06 0.27 -0.08 -0.55 8.37 7.96 1owcA1 LEU 34 HA -0.11 0.00 0.33 -0.75 4.35 3.82 1owcA1 LEU 34 HB2 -0.10 0.15 0.14 -0.04 1.64 1.79 1owcA1 LEU 34 HB3 -0.17 0.11 -0.07 -0.04 1.64 1.47 1owcA1 LEU 34 HG -0.05 -0.04 0.06 -0.04 1.64 1.57 1owcA1 LEU 34 HD13 -0.03 -0.01 -0.07 -0.04 0.93 0.78 1owcA1 LEU 34 HD23 -0.06 -0.01 -0.03 -0.04 0.89 0.75 1owcA1 GLY 35 H -0.15 0.15 -0.26 -0.55 8.43 7.62 1owcA1 GLY 35 HA2 -1.16 0.15 0.36 -0.51 4.01 2.85 1owcA1 GLY 35 HA3 -0.12 0.05 0.29 -0.51 4.01 3.72 1owcA1 SER 36 H -0.07 0.24 -0.11 -0.55 8.46 7.97 1owcA1 SER 36 HA 0.01 0.06 0.41 -0.75 4.49 4.22 1owcA1 SER 36 HB2 -0.01 -0.02 0.10 -0.04 3.95 3.99 1owcA1 SER 36 HB3 -0.01 -0.02 0.13 -0.04 3.93 4.00 1owcA1 LYS 37 H -0.12 0.27 -0.42 -0.55 8.42 7.59 1owcA1 LYS 37 HA -0.04 0.08 0.55 -0.75 4.32 4.15 1owcA1 LYS 37 HB2 -0.10 0.08 0.12 -0.04 1.87 1.92 1owcA1 LYS 37 HB3 -0.06 -0.06 0.14 -0.04 1.79 1.77 1owcA1 LYS 37 HG2 -0.03 -0.00 -0.00 -0.04 1.46 1.38 1owcA1 LYS 37 HG3 -0.05 0.03 -0.07 -0.04 1.46 1.33 1owcA1 LYS 37 HD2 -0.05 -0.05 -0.13 -0.04 1.69 1.42 1owcA1 LYS 37 HD3 -0.04 -0.03 -0.01 -0.04 1.68 1.55 1owcA1 LYS 37 HE2 -0.03 -0.03 -0.01 -0.04 2.99 2.88 1owcA1 LYS 37 HE3 -0.02 0.00 -0.02 -0.04 2.99 2.91 1owcA1 GLY 38 H -0.13 0.46 -0.56 -0.55 8.43 7.66 1owcA1 GLY 38 HA2 0.09 0.03 0.30 -0.51 4.01 3.92 1owcA1 GLY 38 HA3 0.02 0.01 0.50 -0.51 4.01 4.03 1owcA1 VAL 39 H -0.45 0.62 -0.09 -0.55 8.24 7.77 1owcA1 VAL 39 HA -0.10 0.15 0.90 -0.75 4.13 4.33 1owcA1 VAL 39 HB -0.18 -0.09 0.00 -0.04 2.12 1.81 1owcA1 VAL 39 HG13 -0.05 -0.02 -0.12 -0.04 0.97 0.74 1owcA1 VAL 39 HG23 -0.08 0.02 -0.24 -0.04 0.95 0.61 1owcA1 PHE 40 H 0.11 0.27 0.09 -0.55 8.34 8.26 1owcA1 PHE 40 HA 0.04 0.09 0.81 -0.75 4.62 4.81 1owcA1 PHE 40 HB2 0.05 0.00 -0.02 -0.04 3.15 3.15 1owcA1 PHE 40 HB3 0.07 0.03 -0.00 -0.04 3.06 3.12 1owcA1 PHE 40 HD2 0.03 -0.00 -0.13 -0.04 7.28 7.14 1owcA1 PHE 40 HE2 0.02 0.00 -0.08 -0.04 7.38 7.28 1owcA1 PHE 40 HZ 0.02 0.06 -0.02 -0.04 7.32 7.34 1owcA1 THR 41 H 0.16 0.09 0.07 -0.55 8.28 8.05 1owcA1 THR 41 HA 0.13 0.16 0.58 -0.75 4.39 4.51 1owcA1 THR 41 HB 0.10 -0.01 0.04 -0.04 4.32 4.40 1owcA1 THR 41 HG23 0.05 0.01 -0.05 -0.04 1.22 1.19 1owcA1 PHE 42 H 0.19 0.24 0.08 -0.55 8.34 8.30 1owcA1 PHE 42 HA 0.05 0.11 0.73 -0.75 4.62 4.76 1owcA1 PHE 42 HB2 0.04 0.08 -0.13 -0.04 3.15 3.09 1owcA1 PHE 42 HB3 0.02 0.00 0.12 -0.04 3.06 3.17 1owcA1 PHE 42 HD2 0.00 0.02 -0.03 -0.04 7.28 7.24 1owcA1 PHE 42 HE2 -0.02 -0.01 -0.00 -0.04 7.38 7.30 1owcA1 PHE 42 HZ -0.03 0.01 0.00 -0.04 7.32 7.26 1owcA1 ASP 43 H -0.28 0.17 -0.09 -0.55 8.40 7.65 1owcA1 ASP 43 HA -0.33 0.23 0.66 -0.75 4.63 4.44 1owcA1 ASP 43 HB2 -0.02 0.10 -0.41 -0.04 2.71 2.35 1owcA1 ASP 43 HB3 0.02 0.00 -0.01 -0.04 2.70 2.67 1owcA1 PRO 44 HA -0.50 0.05 0.49 -0.51 4.44 3.96 1owcA1 PRO 44 HB2 -0.27 0.04 0.13 -0.04 2.28 2.15 1owcA1 PRO 44 HB3 -0.25 0.07 0.10 -0.04 2.02 1.89 1owcA1 PRO 44 HG2 -0.48 0.09 0.06 -0.04 2.03 1.65 1owcA1 PRO 44 HG3 -0.69 0.04 0.05 -0.04 2.03 1.39 1owcA1 PRO 44 HD2 -0.58 0.16 0.10 -0.04 3.68 3.32 1owcA1 PRO 44 HD3 -1.61 0.07 -0.10 -0.04 3.65 1.97 1owcA1 GLY 45 H -0.77 0.18 0.22 -0.55 8.43 7.52 1owcA1 GLY 45 HA2 -0.23 0.03 0.37 -0.51 4.01 3.67 1owcA1 GLY 45 HA3 -0.19 0.19 0.79 -0.51 4.01 4.29 1owcA1 PHE 46 H -0.45 0.54 -0.24 -0.55 8.34 7.64 1owcA1 PHE 46 HA -0.05 0.01 0.30 -0.75 4.62 4.13 1owcA1 PHE 46 HB2 -0.02 0.19 0.02 -0.04 3.15 3.30 1owcA1 PHE 46 HB3 -0.02 0.06 0.21 -0.04 3.06 3.27 1owcA1 PHE 46 HD2 -0.02 0.02 -0.06 -0.04 7.28 7.18 1owcA1 PHE 46 HE2 -0.01 0.00 -0.03 -0.04 7.38 7.30 1owcA1 PHE 46 HZ -0.01 0.04 -0.02 -0.04 7.32 7.29 1owcA1 THR 47 H -0.03 0.12 -0.38 -0.55 8.28 7.45 1owcA1 THR 47 HA 0.02 0.13 0.29 -0.75 4.39 4.08 1owcA1 THR 47 HB -0.03 -0.01 0.00 -0.04 4.32 4.24 1owcA1 THR 47 HG23 -0.01 0.00 -0.02 -0.04 1.22 1.15 1owcA1 SER 48 H 0.03 -0.01 -0.43 -0.55 8.46 7.51 1owcA1 SER 48 HA 0.02 0.23 0.82 -0.75 4.49 4.80 1owcA1 SER 48 HB2 0.02 -0.03 -0.04 -0.04 3.95 3.86 1owcA1 SER 48 HB3 0.02 0.01 0.12 -0.04 3.93 4.04 1owcA1 THR 49 H 0.08 0.54 -0.29 -0.55 8.28 8.06 1owcA1 THR 49 HA 0.04 0.16 0.96 -0.75 4.39 4.80 1owcA1 THR 49 HB 0.18 0.02 0.07 -0.04 4.32 4.54 1owcA1 THR 49 HG23 0.00 0.01 -0.26 -0.04 1.22 0.93 1owcA1 ALA 50 H 0.01 0.17 0.07 -0.55 8.40 8.11 1owcA1 ALA 50 HA -0.00 0.09 0.65 -0.75 4.34 4.32 1owcA1 ALA 50 HB3 0.00 0.04 0.09 -0.04 1.41 1.51 1owcA1 SER 51 H -0.05 0.24 0.17 -0.55 8.46 8.28 1owcA1 SER 51 HA -0.14 0.07 0.41 -0.75 4.49 4.08 1owcA1 SER 51 HB2 -0.18 0.02 0.09 -0.04 3.95 3.83 1owcA1 SER 51 HB3 -0.21 0.04 0.09 -0.04 3.93 3.81 1owcA1 CYS 52 H -0.02 0.13 -0.30 -0.55 8.50 7.77 1owcA1 CYS 52 HA -0.02 0.14 0.43 -0.75 4.58 4.37 1owcA1 CYS 52 HB2 -0.00 0.04 0.05 -0.04 2.97 3.01 1owcA1 CYS 52 HB3 -0.02 0.18 -0.25 -0.04 2.97 2.84 1owcA1 GLU 53 H -0.01 0.26 0.13 -0.55 8.60 8.43 1owcA1 GLU 53 HA 0.01 0.14 0.77 -0.75 4.29 4.45 1owcA1 GLU 53 HB2 -0.01 0.01 0.00 -0.04 2.09 2.06 1owcA1 GLU 53 HB3 -0.01 0.01 0.11 -0.04 1.99 2.06 1owcA1 GLU 53 HG2 -0.00 0.00 -0.29 -0.04 2.34 2.01 1owcA1 GLU 53 HG3 -0.00 0.02 0.01 -0.04 2.34 2.32 1owcA1 SER 54 H 0.03 0.25 0.13 -0.55 8.46 8.32 1owcA1 SER 54 HA 0.01 0.23 0.91 -0.75 4.49 4.89 1owcA1 SER 54 HB2 0.08 0.05 -0.27 -0.04 3.95 3.77 1owcA1 SER 54 HB3 0.08 0.04 -0.02 -0.04 3.93 3.99 1owcA1 LYS 55 H -0.02 0.14 0.16 -0.55 8.42 8.15 1owcA1 LYS 55 HA 0.00 0.19 0.78 -0.75 4.32 4.53 1owcA1 LYS 55 HB2 -0.03 0.05 0.00 -0.04 1.87 1.85 1owcA1 LYS 55 HB3 -0.03 0.05 0.08 -0.04 1.79 1.85 1owcA1 LYS 55 HG2 -0.02 0.02 -0.10 -0.04 1.46 1.32 1owcA1 LYS 55 HG3 -0.02 -0.07 -0.31 -0.04 1.46 1.02 1owcA1 LYS 55 HD2 -0.03 0.04 -0.05 -0.04 1.69 1.60 1owcA1 LYS 55 HD3 -0.03 0.03 -0.03 -0.04 1.68 1.60 1owcA1 LYS 55 HE2 -0.02 -0.01 -0.09 -0.04 2.99 2.83 1owcA1 LYS 55 HE3 -0.03 0.03 -0.04 -0.04 2.99 2.91 1owcA1 ILE 56 H -0.02 -0.06 0.06 -0.55 8.25 7.68 1owcA1 ILE 56 HA -0.02 0.21 0.48 -0.75 4.18 4.09 1owcA1 ILE 56 HB -0.17 -0.12 0.12 -0.04 1.89 1.68 1owcA1 ILE 56 HG12 -0.14 0.18 0.00 -0.04 1.49 1.49 1owcA1 ILE 56 HG13 -0.14 -0.20 0.11 -0.04 1.21 0.94 1owcA1 ILE 56 HG23 -0.12 0.03 -0.10 -0.04 0.93 0.69 1owcA1 ILE 56 HD13 -0.50 0.03 -0.16 -0.04 0.88 0.21 1owcA1 THR 57 H 0.12 0.13 0.03 -0.55 8.28 8.01 1owcA1 THR 57 HA 0.17 0.33 1.07 -0.75 4.39 5.21 1owcA1 THR 57 HB 0.24 -0.14 0.03 -0.04 4.32 4.42 1owcA1 THR 57 HG23 0.10 0.00 -0.26 -0.04 1.22 1.02 1owcA1 PHE 58 H 0.13 0.61 0.26 -0.55 8.34 8.79 1owcA1 PHE 58 HA 0.01 0.21 0.98 -0.75 4.62 5.06 1owcA1 PHE 58 HB2 -0.01 0.08 -0.15 -0.04 3.15 3.03 1owcA1 PHE 58 HB3 -0.02 -0.06 -0.02 -0.04 3.06 2.91 1owcA1 PHE 58 HD2 -0.01 0.02 -0.19 -0.04 7.28 7.05 1owcA1 PHE 58 HE2 -0.01 -0.01 -0.18 -0.04 7.38 7.14 1owcA1 PHE 58 HZ -0.01 -0.05 -0.09 -0.04 7.32 7.13 1owcA1 ILE 59 H -0.89 0.26 0.10 -0.55 8.25 7.17 1owcA1 ILE 59 HA -0.41 0.52 1.05 -0.75 4.18 4.58 1owcA1 ILE 59 HB -0.35 -0.03 0.03 -0.04 1.89 1.50 1owcA1 ILE 59 HG12 -0.10 0.08 -0.09 -0.04 1.49 1.35 1owcA1 ILE 59 HG13 -0.17 -0.12 -0.56 -0.04 1.21 0.32 1owcA1 ILE 59 HG23 -0.35 -0.01 -0.25 -0.04 0.93 0.28 1owcA1 ILE 59 HD13 -0.39 -0.01 -0.21 -0.04 0.88 0.23 1owcA1 ASP 60 H -0.25 0.54 0.16 -0.55 8.40 8.30 1owcA1 ASP 60 HA -0.17 0.16 0.82 -0.75 4.63 4.69 1owcA1 ASP 60 HB2 0.17 0.07 0.03 -0.04 2.71 2.94 1owcA1 ASP 60 HB3 0.04 -0.07 0.18 -0.04 2.70 2.81 1owcA1 GLY 61 H -0.15 0.24 0.06 -0.55 8.43 8.03 1owcA1 GLY 61 HA2 -0.17 0.06 0.48 -0.51 4.01 3.86 1owcA1 GLY 61 HA3 -0.16 0.31 0.46 -0.51 4.01 4.11 1owcA1 ASP 62 H -0.04 0.09 0.01 -0.55 8.40 7.91 1owcA1 ASP 62 HA -0.03 0.09 0.61 -0.75 4.63 4.55 1owcA1 ASP 62 HB2 -0.01 -0.08 0.14 -0.04 2.71 2.73 1owcA1 ASP 62 HB3 -0.01 0.08 0.03 -0.04 2.70 2.76 1owcA1 GLU 63 H -0.01 0.00 -0.15 -0.55 8.60 7.90 1owcA1 GLU 63 HA -0.00 0.20 0.53 -0.75 4.29 4.26 1owcA1 GLU 63 HB2 0.04 -0.08 0.07 -0.04 2.09 2.07 1owcA1 GLU 63 HB3 0.04 0.04 0.10 -0.04 1.99 2.13 1owcA1 GLU 63 HG2 0.03 0.02 0.01 -0.04 2.34 2.36 1owcA1 GLU 63 HG3 0.03 0.07 0.01 -0.04 2.34 2.41 1owcA1 GLY 64 H -0.05 0.14 -0.69 -0.55 8.43 7.29 1owcA1 GLY 64 HA2 -0.05 0.03 0.33 -0.51 4.01 3.81 1owcA1 GLY 64 HA3 -0.42 0.02 0.37 -0.51 4.01 3.47 1owcA1 ILE 65 H 0.03 0.43 0.03 -0.55 8.25 8.20 1owcA1 ILE 65 HA 0.03 0.20 0.91 -0.75 4.18 4.57 1owcA1 ILE 65 HB 0.09 -0.19 0.07 -0.04 1.89 1.82 1owcA1 ILE 65 HG12 0.06 -0.03 -0.26 -0.04 1.49 1.23 1owcA1 ILE 65 HG13 0.14 -0.03 -0.05 -0.04 1.21 1.24 1owcA1 ILE 65 HG23 0.17 0.01 -0.18 -0.04 0.93 0.89 1owcA1 ILE 65 HD13 0.06 0.04 -0.07 -0.04 0.88 0.87 1owcA1 LEU 66 H 0.00 0.21 0.13 -0.55 8.37 8.16 1owcA1 LEU 66 HA -0.03 0.33 0.95 -0.75 4.35 4.85 1owcA1 LEU 66 HB2 0.10 0.01 -0.11 -0.04 1.64 1.59 1owcA1 LEU 66 HB3 -0.06 -0.10 0.12 -0.04 1.64 1.56 1owcA1 LEU 66 HG -0.33 -0.01 -0.30 -0.04 1.64 0.95 1owcA1 LEU 66 HD13 0.06 0.04 -0.09 -0.04 0.93 0.90 1owcA1 LEU 66 HD23 0.04 0.00 -0.05 -0.04 0.89 0.84 1owcA1 LEU 67 H -0.01 0.74 0.23 -0.55 8.37 8.79 1owcA1 LEU 67 HA -0.01 0.27 0.77 -0.75 4.35 4.62 1owcA1 LEU 67 HB2 0.17 -0.11 -0.01 -0.04 1.64 1.65 1owcA1 LEU 67 HB3 0.06 -0.04 -0.36 -0.04 1.64 1.26 1owcA1 LEU 67 HG 0.22 -0.08 -0.30 -0.04 1.64 1.44 1owcA1 LEU 67 HD13 0.06 0.02 -0.12 -0.04 0.93 0.85 1owcA1 LEU 67 HD23 0.06 0.08 -0.29 -0.04 0.89 0.70 1owcA1 HIS 68 H 0.10 0.78 0.09 -0.55 8.41 8.83 1owcA1 HIS 68 HA 0.07 0.17 0.93 -0.75 4.63 5.05 1owcA1 HIS 68 HB2 0.12 0.02 0.11 -0.04 3.26 3.48 1owcA1 HIS 68 HB3 0.08 0.05 -0.01 -0.04 3.20 3.28 1owcA1 HIS 68 HD2 0.04 -0.01 -0.07 -0.04 6.97 6.89 1owcA1 HIS 68 HE1 0.11 0.08 -0.20 -0.04 7.75 7.70 1owcA1 ARG 69 H 0.10 0.89 0.27 -0.55 8.46 9.17 1owcA1 ARG 69 HA -0.03 0.22 0.37 -0.75 4.34 4.14 1owcA1 ARG 69 HB2 0.11 0.03 -0.16 -0.04 1.90 1.83 1owcA1 ARG 69 HB3 -0.09 0.10 0.18 -0.04 1.80 1.95 1owcA1 ARG 69 HG2 0.04 -0.10 -0.11 -0.04 1.67 1.45 1owcA1 ARG 69 HG3 0.03 0.24 -0.16 -0.04 1.67 1.74 1owcA1 ARG 69 HD2 -0.04 0.02 0.11 -0.04 3.22 3.27 1owcA1 ARG 69 HD3 -0.03 0.14 0.11 -0.04 3.22 3.40 1owcA1 GLY 70 H -0.02 0.00 -0.50 -0.55 8.43 7.37 1owcA1 GLY 70 HA2 -0.08 -0.05 0.18 -0.51 4.01 3.55 1owcA1 GLY 70 HA3 -0.25 0.21 0.56 -0.51 4.01 4.01 1owcA1 PHE 71 H -0.09 0.49 -0.60 -0.55 8.34 7.58 1owcA1 PHE 71 HA 0.02 0.13 0.55 -0.75 4.62 4.57 1owcA1 PHE 71 HB2 0.05 0.09 0.11 -0.04 3.15 3.36 1owcA1 PHE 71 HB3 0.03 -0.04 -0.05 -0.04 3.06 2.96 1owcA1 PHE 71 HD2 0.02 0.04 -0.03 -0.04 7.28 7.26 1owcA1 PHE 71 HE2 0.01 -0.03 -0.08 -0.04 7.38 7.24 1owcA1 PHE 71 HZ 0.01 -0.10 0.03 -0.04 7.32 7.21 1owcA1 PRO 72 HA 0.04 0.20 0.53 -0.51 4.44 4.70 1owcA1 PRO 72 HB2 0.05 -0.17 0.12 -0.04 2.28 2.23 1owcA1 PRO 72 HB3 0.04 0.05 0.16 -0.04 2.02 2.22 1owcA1 PRO 72 HG2 0.06 0.05 0.11 -0.04 2.03 2.21 1owcA1 PRO 72 HG3 0.06 0.11 0.09 -0.04 2.03 2.25 1owcA1 PRO 72 HD2 0.15 0.03 0.22 -0.04 3.68 4.04 1owcA1 PRO 72 HD3 0.14 0.34 0.35 -0.04 3.65 4.43 1owcA1 ILE 73 H -0.02 0.49 0.34 -0.55 8.25 8.51 1owcA1 ILE 73 HA 0.06 0.10 0.38 -0.75 4.18 3.96 1owcA1 ILE 73 HB -0.09 0.08 0.08 -0.04 1.89 1.92 1owcA1 ILE 73 HG12 -0.01 0.02 -0.04 -0.04 1.49 1.42 1owcA1 ILE 73 HG13 0.00 -0.04 -0.12 -0.04 1.21 1.01 1owcA1 ILE 73 HG23 -0.05 -0.01 -0.04 -0.04 0.93 0.80 1owcA1 ILE 73 HD13 0.16 0.00 -0.05 -0.04 0.88 0.96 1owcA1 ASP 74 H 0.00 0.11 -0.14 -0.55 8.40 7.82 1owcA1 ASP 74 HA -0.01 0.06 0.38 -0.75 4.63 4.30 1owcA1 ASP 74 HB2 -0.00 -0.02 0.12 -0.04 2.71 2.77 1owcA1 ASP 74 HB3 -0.01 0.07 -0.05 -0.04 2.70 2.67 1owcA1 GLN 75 H 0.02 0.17 -0.20 -0.55 8.47 7.91 1owcA1 GLN 75 HA -0.01 0.07 0.41 -0.75 4.36 4.08 1owcA1 GLN 75 HB2 0.02 0.14 0.03 -0.04 2.15 2.29 1owcA1 GLN 75 HB3 -0.02 0.02 0.04 -0.04 2.02 2.01 1owcA1 GLN 75 HG2 0.00 0.00 0.01 -0.04 2.40 2.38 1owcA1 GLN 75 HG3 0.03 -0.08 0.06 -0.04 2.39 2.36 1owcA1 GLN 75 HE21 0.05 0.04 0.04 -0.04 6.97 7.05 1owcA1 GLN 75 HE22 0.04 -0.05 0.05 -0.04 7.69 7.69 1owcA1 LEU 76 H 0.02 0.34 -0.31 -0.55 8.37 7.88 1owcA1 LEU 76 HA -0.06 0.01 0.56 -0.75 4.35 4.11 1owcA1 LEU 76 HB2 0.07 0.11 0.08 -0.04 1.64 1.85 1owcA1 LEU 76 HB3 0.02 -0.05 -0.04 -0.04 1.64 1.53 1owcA1 LEU 76 HG 0.06 0.08 -0.11 -0.04 1.64 1.63 1owcA1 LEU 76 HD13 0.22 0.01 -0.07 -0.04 0.93 1.05 1owcA1 LEU 76 HD23 -0.15 -0.01 -0.05 -0.04 0.89 0.64 1owcA1 ALA 77 H 0.01 0.60 -0.04 -0.55 8.40 8.43 1owcA1 ALA 77 HA 0.02 0.01 0.34 -0.75 4.34 3.95 1owcA1 ALA 77 HB3 0.01 -0.01 0.06 -0.04 1.41 1.43 1owcA1 THR 78 H -0.01 0.25 -0.29 -0.55 8.28 7.68 1owcA1 THR 78 HA -0.00 0.19 0.90 -0.75 4.39 4.73 1owcA1 THR 78 HB -0.01 -0.02 0.03 -0.04 4.32 4.28 1owcA1 THR 78 HG23 -0.01 0.04 -0.02 -0.04 1.22 1.18 1owcA1 ASP 79 H -0.03 0.34 -0.04 -0.55 8.40 8.12 1owcA1 ASP 79 HA -0.03 0.19 0.94 -0.75 4.63 4.97 1owcA1 ASP 79 HB2 -0.06 0.25 0.19 -0.04 2.71 3.05 1owcA1 ASP 79 HB3 -0.06 -0.08 0.02 -0.04 2.70 2.54 1owcA1 SER 80 H -0.05 0.22 0.12 -0.55 8.46 8.20 1owcA1 SER 80 HA -0.08 0.10 0.66 -0.75 4.49 4.41 1owcA1 SER 80 HB2 -0.12 -0.02 0.12 -0.04 3.95 3.90 1owcA1 SER 80 HB3 -0.05 0.15 0.15 -0.04 3.93 4.14 1owcA1 ASN 81 H -0.03 0.13 0.23 -0.55 8.53 8.32 1owcA1 ASN 81 HA 0.05 0.25 0.54 -0.75 4.76 4.85 1owcA1 ASN 81 HB2 0.10 -0.12 0.17 -0.04 2.88 3.00 1owcA1 ASN 81 HB3 0.03 0.23 -0.01 -0.04 2.79 3.00 1owcA1 ASN 81 HD21 -0.20 0.03 -0.01 -0.04 7.03 6.81 1owcA1 ASN 81 HD22 -0.08 0.17 -0.09 -0.04 7.74 7.70 1owcA1 TYR 82 H 0.16 0.18 0.16 -0.55 8.29 8.24 1owcA1 TYR 82 HA -0.05 0.13 0.41 -0.75 4.56 4.29 1owcA1 TYR 82 HB2 -0.09 0.10 0.17 -0.04 3.06 3.20 1owcA1 TYR 82 HB3 -0.21 -0.09 0.15 -0.04 2.98 2.79 1owcA1 TYR 82 HD2 -0.66 -0.05 -0.19 -0.04 7.15 6.21 1owcA1 TYR 82 HE2 -0.35 0.14 -0.07 -0.04 6.85 6.52 1owcA1 LEU 83 H 0.13 0.07 -0.04 -0.55 8.37 7.98 1owcA1 LEU 83 HA -0.01 0.16 0.40 -0.75 4.35 4.14 1owcA1 LEU 83 HB2 0.19 -0.06 0.14 -0.04 1.64 1.87 1owcA1 LEU 83 HB3 0.34 0.03 0.00 -0.04 1.64 1.97 1owcA1 LEU 83 HG 0.37 -0.00 0.04 -0.04 1.64 2.00 1owcA1 LEU 83 HD13 0.06 0.02 0.01 -0.04 0.93 0.98 1owcA1 LEU 83 HD23 -0.16 0.02 -0.01 -0.04 0.89 0.70 1owcA1 GLU 84 H 0.15 0.10 -0.27 -0.55 8.60 8.03 1owcA1 GLU 84 HA 0.26 0.12 0.57 -0.75 4.29 4.48 1owcA1 GLU 84 HB2 -0.12 0.01 0.09 -0.04 2.09 2.03 1owcA1 GLU 84 HB3 -0.04 -0.06 0.15 -0.04 1.99 2.00 1owcA1 GLU 84 HG2 -0.09 0.02 -0.15 -0.04 2.34 2.08 1owcA1 GLU 84 HG3 -0.07 0.02 0.10 -0.04 2.34 2.35 1owcA1 VAL 85 H -0.06 0.42 -0.07 -0.55 8.24 7.98 1owcA1 VAL 85 HA -0.05 0.06 0.46 -0.75 4.13 3.85 1owcA1 VAL 85 HB -0.22 0.12 0.17 -0.04 2.12 2.15 1owcA1 VAL 85 HG13 -0.11 0.00 -0.08 -0.04 0.97 0.74 1owcA1 VAL 85 HG23 -0.03 0.03 -0.01 -0.04 0.95 0.89 1owcA1 CYS 86 H -0.24 0.47 -0.15 -0.55 8.50 8.03 1owcA1 CYS 86 HA -0.21 0.03 0.33 -0.75 4.58 3.98 1owcA1 CYS 86 HB2 0.11 0.13 0.18 -0.04 2.97 3.35 1owcA1 CYS 86 HB3 0.10 0.01 -0.01 -0.04 2.97 3.03 1owcA1 TYR 87 H 0.04 0.41 -0.21 -0.55 8.29 7.98 1owcA1 TYR 87 HA -0.66 0.02 0.34 -0.75 4.56 3.51 1owcA1 TYR 87 HB2 -0.62 0.01 0.16 -0.04 3.06 2.56 1owcA1 TYR 87 HB3 -0.16 0.13 0.18 -0.04 2.98 3.09 1owcA1 TYR 87 HD2 -0.66 0.15 -0.13 -0.04 7.15 6.48 1owcA1 TYR 87 HE2 -0.07 0.03 -0.13 -0.04 6.85 6.64 1owcA1 ILE 88 H 0.03 0.43 -0.31 -0.55 8.25 7.85 1owcA1 ILE 88 HA 0.10 0.09 0.33 -0.75 4.18 3.94 1owcA1 ILE 88 HB 0.04 0.05 0.17 -0.04 1.89 2.11 1owcA1 ILE 88 HG12 0.19 -0.08 -0.42 -0.04 1.49 1.14 1owcA1 ILE 88 HG13 0.09 0.13 0.01 -0.04 1.21 1.40 1owcA1 ILE 88 HG23 0.28 -0.01 -0.29 -0.04 0.93 0.87 1owcA1 ILE 88 HD13 -0.16 -0.05 -0.11 -0.04 0.88 0.52 1owcA1 LEU 89 H -0.08 0.68 -0.05 -0.55 8.37 8.38 1owcA1 LEU 89 HA -0.05 -0.00 0.37 -0.75 4.35 3.92 1owcA1 LEU 89 HB2 -0.12 0.09 0.09 -0.04 1.64 1.66 1owcA1 LEU 89 HB3 -0.09 -0.04 -0.05 -0.04 1.64 1.41 1owcA1 LEU 89 HG -0.13 0.10 -0.02 -0.04 1.64 1.55 1owcA1 LEU 89 HD13 -0.22 -0.03 -0.20 -0.04 0.93 0.44 1owcA1 LEU 89 HD23 -0.14 -0.03 -0.09 -0.04 0.89 0.59 1owcA1 LEU 90 H -0.17 0.65 -0.12 -0.55 8.37 8.18 1owcA1 LEU 90 HA -0.12 0.04 0.49 -0.75 4.35 4.01 1owcA1 LEU 90 HB2 -0.31 0.05 0.07 -0.04 1.64 1.41 1owcA1 LEU 90 HB3 -0.21 -0.05 -0.01 -0.04 1.64 1.33 1owcA1 LEU 90 HG -0.08 0.03 0.04 -0.04 1.64 1.58 1owcA1 LEU 90 HD13 -0.01 -0.03 -0.09 -0.04 0.93 0.75 1owcA1 LEU 90 HD23 -0.04 -0.01 -0.07 -0.04 0.89 0.72 1owcA1 ASN 91 H -0.34 0.57 -0.08 -0.55 8.53 8.14 1owcA1 ASN 91 HA -0.22 0.19 1.01 -0.75 4.76 4.98 1owcA1 ASN 91 HB2 -1.02 0.18 0.09 -0.04 2.88 2.10 1owcA1 ASN 91 HB3 -0.33 -0.09 0.08 -0.04 2.79 2.41 1owcA1 ASN 91 HD21 -0.20 -0.05 -0.04 -0.04 7.03 6.70 1owcA1 ASN 91 HD22 -0.19 0.01 0.05 -0.04 7.74 7.57 1owcA1 GLY 92 H -0.10 0.55 0.01 -0.55 8.43 8.33 1owcA1 GLY 92 HA2 -0.03 0.04 0.36 -0.51 4.01 3.88 1owcA1 GLY 92 HA3 -0.04 0.05 0.51 -0.51 4.01 4.01 1owcA1 GLU 93 H 0.06 0.19 -0.20 -0.55 8.60 8.11 1owcA1 GLU 93 HA 0.19 0.15 0.74 -0.75 4.29 4.61 1owcA1 GLU 93 HB2 0.14 -0.02 -0.19 -0.04 2.09 1.97 1owcA1 GLU 93 HB3 0.13 0.03 -0.06 -0.04 1.99 2.05 1owcA1 GLU 93 HG2 0.03 0.09 -0.49 -0.04 2.34 1.93 1owcA1 GLU 93 HG3 0.05 -0.06 -0.09 -0.04 2.34 2.20 1owcA1 LYS 94 H 0.25 0.13 0.10 -0.55 8.42 8.34 1owcA1 LYS 94 HA 0.03 0.08 0.45 -0.75 4.32 4.13 1owcA1 LYS 94 HB2 -0.08 0.05 0.00 -0.04 1.87 1.80 1owcA1 LYS 94 HB3 -0.14 -0.00 0.07 -0.04 1.79 1.68 1owcA1 LYS 94 HG2 0.14 -0.06 0.16 -0.04 1.46 1.66 1owcA1 LYS 94 HG3 0.03 -0.01 -0.02 -0.04 1.46 1.41 1owcA1 LYS 94 HD2 0.03 -0.01 -0.00 -0.04 1.69 1.68 1owcA1 LYS 94 HD3 0.11 0.01 0.02 -0.04 1.68 1.78 1owcA1 LYS 94 HE2 0.25 0.01 0.06 -0.04 2.99 3.27 1owcA1 LYS 94 HE3 0.12 -0.02 0.02 -0.04 2.99 3.06 1owcA1 PRO 95 HA -0.30 0.05 0.51 -0.51 4.44 4.20 1owcA1 PRO 95 HB2 -0.40 -0.02 -0.10 -0.04 2.28 1.72 1owcA1 PRO 95 HB3 -1.79 0.08 0.00 -0.04 2.02 0.27 1owcA1 PRO 95 HG2 -0.20 -0.02 0.06 -0.04 2.03 1.83 1owcA1 PRO 95 HG3 -0.06 -0.01 0.08 -0.04 2.03 2.01 1owcA1 PRO 95 HD2 -0.09 0.02 0.22 -0.04 3.68 3.80 1owcA1 PRO 95 HD3 0.04 0.27 0.21 -0.04 3.65 4.12 1owcA1 THR 96 H -0.11 0.10 0.16 -0.55 8.28 7.88 1owcA1 THR 96 HA -0.05 0.18 0.52 -0.75 4.39 4.30 1owcA1 THR 96 HB -0.01 -0.00 0.14 -0.04 4.32 4.40 1owcA1 THR 96 HG23 -0.00 0.06 0.07 -0.04 1.22 1.30 1owcA1 GLN 97 H -0.02 0.21 0.14 -0.55 8.47 8.26 1owcA1 GLN 97 HA 0.01 0.12 0.33 -0.75 4.36 4.07 1owcA1 GLN 97 HB2 -0.01 0.08 0.15 -0.04 2.15 2.33 1owcA1 GLN 97 HB3 0.01 -0.05 0.14 -0.04 2.02 2.07 1owcA1 GLN 97 HG2 0.01 0.05 -0.00 -0.04 2.40 2.42 1owcA1 GLN 97 HG3 0.04 -0.01 -0.20 -0.04 2.39 2.18 1owcA1 GLN 97 HE21 0.12 0.04 0.00 -0.04 6.97 7.09 1owcA1 GLN 97 HE22 0.14 -0.11 0.10 -0.04 7.69 7.78 1owcA1 GLU 98 H 0.01 0.10 -0.20 -0.55 8.60 7.96 1owcA1 GLU 98 HA 0.03 0.10 0.39 -0.75 4.29 4.07 1owcA1 GLU 98 HB2 0.02 0.05 0.07 -0.04 2.09 2.18 1owcA1 GLU 98 HB3 0.01 -0.04 0.06 -0.04 1.99 1.99 1owcA1 GLU 98 HG2 0.03 0.02 -0.30 -0.04 2.34 2.04 1owcA1 GLU 98 HG3 0.02 0.02 -0.00 -0.04 2.34 2.34 1owcA1 GLN 99 H -0.01 0.08 -0.16 -0.55 8.47 7.83 1owcA1 GLN 99 HA 0.05 0.08 0.44 -0.75 4.36 4.17 1owcA1 GLN 99 HB2 -0.18 -0.03 0.14 -0.04 2.15 2.04 1owcA1 GLN 99 HB3 -0.15 0.08 0.01 -0.04 2.02 1.92 1owcA1 GLN 99 HG2 0.07 0.07 0.05 -0.04 2.40 2.54 1owcA1 GLN 99 HG3 0.01 -0.09 0.07 -0.04 2.39 2.34 1owcA1 GLN 99 HE21 0.09 0.08 -0.00 -0.04 6.97 7.10 1owcA1 GLN 99 HE22 0.08 0.01 0.01 -0.04 7.69 7.75 1owcA1 TYR 100 H 0.03 0.59 -0.29 -0.55 8.29 8.07 1owcA1 TYR 100 HA -0.06 0.04 0.47 -0.75 4.56 4.26 1owcA1 TYR 100 HB2 -0.18 0.03 -0.06 -0.04 3.06 2.80 1owcA1 TYR 100 HB3 -0.06 0.15 0.03 -0.04 2.98 3.06 1owcA1 TYR 100 HD2 -0.01 0.06 -0.10 -0.04 7.15 7.05 1owcA1 TYR 100 HE2 0.07 -0.06 -0.16 -0.04 6.85 6.65 1owcA1 ASP 101 H 0.10 0.52 -0.08 -0.55 8.40 8.39 1owcA1 ASP 101 HA -0.02 0.02 0.44 -0.75 4.63 4.32 1owcA1 ASP 101 HB2 0.04 0.09 0.22 -0.04 2.71 3.01 1owcA1 ASP 101 HB3 0.02 -0.02 -0.00 -0.04 2.70 2.66 1owcA1 GLU 102 H 0.03 0.63 -0.06 -0.55 8.60 8.66 1owcA1 GLU 102 HA -0.00 0.03 0.38 -0.75 4.29 3.94 1owcA1 GLU 102 HB2 0.09 0.07 0.16 -0.04 2.09 2.37 1owcA1 GLU 102 HB3 0.06 -0.01 -0.00 -0.04 1.99 2.00 1owcA1 GLU 102 HG2 0.02 -0.02 0.03 -0.04 2.34 2.33 1owcA1 GLU 102 HG3 0.03 0.06 0.07 -0.04 2.34 2.45 1owcA1 PHE 103 H 0.18 0.48 -0.26 -0.55 8.34 8.18 1owcA1 PHE 103 HA 0.13 0.02 0.41 -0.75 4.62 4.42 1owcA1 PHE 103 HB2 0.22 0.13 0.17 -0.04 3.15 3.63 1owcA1 PHE 103 HB3 -0.08 0.04 0.21 -0.04 3.06 3.19 1owcA1 PHE 103 HD2 0.19 -0.01 -0.01 -0.04 7.28 7.40 1owcA1 PHE 103 HE2 -0.02 0.07 0.01 -0.04 7.38 7.39 1owcA1 PHE 103 HZ -0.03 -0.00 -0.13 -0.04 7.32 7.11 1owcA1 LYS 104 H -0.18 0.74 -0.03 -0.55 8.42 8.40 1owcA1 LYS 104 HA -0.27 -0.04 0.42 -0.75 4.32 3.68 1owcA1 LYS 104 HB2 -0.52 0.00 0.14 -0.04 1.87 1.46 1owcA1 LYS 104 HB3 -0.19 0.13 0.12 -0.04 1.79 1.80 1owcA1 LYS 104 HG2 -0.06 0.05 -0.03 -0.04 1.46 1.38 1owcA1 LYS 104 HG3 -0.09 -0.04 0.13 -0.04 1.46 1.42 1owcA1 LYS 104 HD2 -0.12 -0.07 0.04 -0.04 1.69 1.50 1owcA1 LYS 104 HD3 0.02 0.01 0.01 -0.04 1.68 1.68 1owcA1 LYS 104 HE2 0.07 0.12 0.02 -0.04 2.99 3.15 1owcA1 LYS 104 HE3 0.06 0.04 0.06 -0.04 2.99 3.11 1owcA1 THR 105 H -0.11 0.40 -0.48 -0.55 8.28 7.54 1owcA1 THR 105 HA -0.10 0.01 0.43 -0.75 4.39 3.97 1owcA1 THR 105 HB -0.09 0.17 0.15 -0.04 4.32 4.52 1owcA1 THR 105 HG23 -0.07 -0.03 -0.05 -0.04 1.22 1.03 1owcA1 THR 106 H -0.22 0.50 -0.03 -0.55 8.28 7.99 1owcA1 THR 106 HA -0.45 0.03 0.46 -0.75 4.39 3.67 1owcA1 THR 106 HB -0.70 0.06 0.11 -0.04 4.32 3.76 1owcA1 THR 106 HG23 -1.37 -0.01 -0.05 -0.04 1.22 -0.26 1owcA1 VAL 107 H -0.29 0.45 -0.14 -0.55 8.24 7.70 1owcA1 VAL 107 HA -0.06 0.09 0.45 -0.75 4.13 3.86 1owcA1 VAL 107 HB -0.19 0.03 0.15 -0.04 2.12 2.07 1owcA1 VAL 107 HG13 0.04 -0.01 -0.14 -0.04 0.97 0.81 1owcA1 VAL 107 HG23 -0.36 0.02 -0.00 -0.04 0.95 0.57 1owcA1 THR 108 H -0.13 0.57 -0.07 -0.55 8.28 8.10 1owcA1 THR 108 HA -0.04 -0.01 0.28 -0.75 4.39 3.88 1owcA1 THR 108 HB -0.08 0.07 0.14 -0.04 4.32 4.42 1owcA1 THR 108 HG23 -0.02 -0.02 -0.05 -0.04 1.22 1.09 1owcA1 LEU 109 H -0.17 0.39 -0.40 -0.55 8.37 7.64 1owcA1 LEU 109 HA -0.00 0.04 0.55 -0.75 4.35 4.18 1owcA1 LEU 109 HB2 -0.22 0.15 0.12 -0.04 1.64 1.64 1owcA1 LEU 109 HB3 0.01 -0.06 0.10 -0.04 1.64 1.64 1owcA1 LEU 109 HG -0.06 -0.05 0.02 -0.04 1.64 1.51 1owcA1 LEU 109 HD13 -0.00 -0.02 0.02 -0.04 0.93 0.89 1owcA1 LEU 109 HD23 -0.07 0.09 -0.00 -0.04 0.89 0.86 1owcA1 HIS 110 H -0.01 0.52 -0.40 -0.55 8.41 7.97 1owcA1 HIS 110 HA -0.03 0.12 0.88 -0.75 4.63 4.85 1owcA1 HIS 110 HB2 -0.02 0.13 0.08 -0.04 3.26 3.42 1owcA1 HIS 110 HB3 -0.03 -0.06 0.15 -0.04 3.20 3.21 1owcA1 HIS 110 HD2 -0.00 -0.05 -0.11 -0.04 6.97 6.77 1owcA1 HIS 110 HE1 -0.06 -0.05 -0.07 -0.04 7.75 7.52 1owcA1 THR 111 H 0.04 0.21 -0.20 -0.55 8.28 7.79 1owcA1 THR 111 HA 0.02 0.15 0.31 -0.75 4.39 4.11 1owcA1 THR 111 HB -0.02 -0.06 -0.04 -0.04 4.32 4.17 1owcA1 THR 111 HG23 -0.02 0.04 -0.01 -0.04 1.22 1.19 1owcA1 MET 112 H 0.04 0.03 -0.11 -0.55 8.47 7.89 1owcA1 MET 112 HA 0.02 0.05 0.43 -0.75 4.52 4.27 1owcA1 MET 112 HB2 0.05 -0.01 -0.03 -0.04 2.15 2.12 1owcA1 MET 112 HB3 0.08 0.03 -0.06 -0.04 2.03 2.04 1owcA1 MET 112 HG2 0.17 0.03 0.04 -0.04 2.63 2.82 1owcA1 MET 112 HG3 0.07 -0.01 0.02 -0.04 2.56 2.60 1owcA1 MET 112 HE3 0.03 0.00 -0.02 -0.04 2.10 2.07 1owcA1 ILE 113 H -0.01 0.15 0.12 -0.55 8.25 7.96 1owcA1 ILE 113 HA 0.12 0.21 0.86 -0.75 4.18 4.62 1owcA1 ILE 113 HB 0.05 -0.04 0.03 -0.04 1.89 1.89 1owcA1 ILE 113 HG12 -0.09 -0.00 -0.06 -0.04 1.49 1.30 1owcA1 ILE 113 HG13 -0.01 0.04 -0.49 -0.04 1.21 0.71 1owcA1 ILE 113 HG23 -0.03 0.03 -0.08 -0.04 0.93 0.81 1owcA1 ILE 113 HD13 -0.00 -0.01 -0.22 -0.04 0.88 0.61 1owcA1 HIS 114 H 0.23 0.16 0.07 -0.55 8.41 8.33 1owcA1 HIS 114 HA 0.02 0.06 0.40 -0.75 4.63 4.35 1owcA1 HIS 114 HB2 -0.10 0.13 0.13 -0.04 3.26 3.38 1owcA1 HIS 114 HB3 -0.27 -0.09 0.13 -0.04 3.20 2.92 1owcA1 HIS 114 HD2 0.00 0.08 0.03 -0.04 6.97 7.04 1owcA1 HIS 114 HE1 0.07 0.06 0.01 -0.04 7.75 7.84 1owcA1 GLU 115 H -0.17 0.18 0.20 -0.55 8.60 8.26 1owcA1 GLU 115 HA 0.04 0.15 0.37 -0.75 4.29 4.09 1owcA1 GLU 115 HB2 -0.05 -0.03 0.10 -0.04 2.09 2.07 1owcA1 GLU 115 HB3 0.04 0.04 0.04 -0.04 1.99 2.06 1owcA1 GLU 115 HG2 -0.00 0.00 0.11 -0.04 2.34 2.41 1owcA1 GLU 115 HG3 0.02 0.02 0.05 -0.04 2.34 2.38 1owcA1 GLN 116 H 0.58 0.06 -0.35 -0.55 8.47 8.21 1owcA1 GLN 116 HA 0.13 0.12 0.44 -0.75 4.36 4.30 1owcA1 GLN 116 HB2 0.37 -0.00 0.06 -0.04 2.15 2.53 1owcA1 GLN 116 HB3 0.16 0.01 -0.00 -0.04 2.02 2.15 1owcA1 GLN 116 HG2 0.24 0.03 -0.03 -0.04 2.40 2.61 1owcA1 GLN 116 HG3 0.36 0.02 -0.08 -0.04 2.39 2.65 1owcA1 GLN 116 HE21 0.09 0.03 -0.02 -0.04 6.97 7.02 1owcA1 GLN 116 HE22 0.16 -0.03 -0.02 -0.04 7.69 7.76 1owcA1 ILE 117 H -0.18 0.23 -0.21 -0.55 8.25 7.54 1owcA1 ILE 117 HA -0.81 0.06 0.32 -0.75 4.18 2.99 1owcA1 ILE 117 HB -0.21 0.18 -0.03 -0.04 1.89 1.79 1owcA1 ILE 117 HG12 -1.92 0.03 -0.00 -0.04 1.49 -0.45 1owcA1 ILE 117 HG13 -0.78 -0.11 0.05 -0.04 1.21 0.33 1owcA1 ILE 117 HG23 -0.27 0.01 -0.07 -0.04 0.93 0.56 1owcA1 ILE 117 HD13 -0.52 -0.03 0.03 -0.04 0.88 0.32 1owcA1 THR 118 H 0.02 0.22 -0.58 -0.55 8.28 7.39 1owcA1 THR 118 HA 0.26 0.06 0.40 -0.75 4.39 4.36 1owcA1 THR 118 HB 0.11 0.29 0.14 -0.04 4.32 4.81 1owcA1 THR 118 HG23 0.29 -0.01 -0.07 -0.04 1.22 1.39 1owcA1 ARG 119 H 0.11 0.35 -0.29 -0.55 8.46 8.08 1owcA1 ARG 119 HA 0.28 0.05 0.45 -0.75 4.34 4.37 1owcA1 ARG 119 HB2 0.07 -0.01 0.12 -0.04 1.90 2.04 1owcA1 ARG 119 HB3 0.09 0.11 0.06 -0.04 1.80 2.02 1owcA1 ARG 119 HG2 0.06 -0.00 -0.04 -0.04 1.67 1.65 1owcA1 ARG 119 HG3 -0.01 -0.01 0.08 -0.04 1.67 1.70 1owcA1 ARG 119 HD2 -0.02 -0.00 -0.01 -0.04 3.22 3.15 1owcA1 ARG 119 HD3 -0.00 -0.01 0.00 -0.04 3.22 3.17 1owcA1 LEU 120 H 0.10 0.29 -0.51 -0.55 8.37 7.70 1owcA1 LEU 120 HA 0.10 0.03 0.35 -0.75 4.35 4.07 1owcA1 LEU 120 HB2 -0.08 0.30 0.07 -0.04 1.64 1.89 1owcA1 LEU 120 HB3 0.06 -0.04 -0.09 -0.04 1.64 1.54 1owcA1 LEU 120 HG 0.01 0.02 0.00 -0.04 1.64 1.63 1owcA1 LEU 120 HD13 -0.06 0.00 -0.01 -0.04 0.93 0.82 1owcA1 LEU 120 HD23 0.15 -0.01 -0.04 -0.04 0.89 0.94 1owcA1 PHE 121 H 0.30 0.29 -0.34 -0.55 8.34 8.05 1owcA1 PHE 121 HA -0.21 0.02 0.39 -0.75 4.62 4.07 1owcA1 PHE 121 HB2 -0.07 0.24 0.12 -0.04 3.15 3.41 1owcA1 PHE 121 HB3 -0.62 0.02 -0.05 -0.04 3.06 2.37 1owcA1 PHE 121 HD2 -0.28 0.05 0.01 -0.04 7.28 7.03 1owcA1 PHE 121 HE2 -0.27 -0.03 -0.13 -0.04 7.38 6.91 1owcA1 PHE 121 HZ -0.27 -0.03 -0.03 -0.04 7.32 6.95 1owcA1 HIS 122 H 0.30 0.22 -0.35 -0.55 8.41 8.03 1owcA1 HIS 122 HA 0.26 0.10 0.36 -0.75 4.63 4.60 1owcA1 HIS 122 HB2 0.09 0.13 0.06 -0.04 3.26 3.50 1owcA1 HIS 122 HB3 0.11 -0.05 0.11 -0.04 3.20 3.33 1owcA1 HIS 122 HD2 0.08 -0.01 0.01 -0.04 6.97 7.01 1owcA1 HIS 122 HE1 -0.06 -0.04 -0.05 -0.04 7.75 7.55 1owcA1 ALA 123 H 0.16 0.33 -0.71 -0.55 8.40 7.64 1owcA1 ALA 123 HA 0.07 0.10 0.70 -0.75 4.34 4.46 1owcA1 ALA 123 HB3 -0.04 0.00 0.04 -0.04 1.41 1.37 1owcA1 PHE 124 H 0.26 0.46 -0.21 -0.55 8.34 8.30 1owcA1 PHE 124 HA 0.03 0.01 0.71 -0.75 4.62 4.62 1owcA1 PHE 124 HB2 -0.09 0.23 0.10 -0.04 3.15 3.35 1owcA1 PHE 124 HB3 0.06 -0.02 -0.03 -0.04 3.06 3.03 1owcA1 PHE 124 HD2 -0.12 0.10 0.01 -0.04 7.28 7.23 1owcA1 PHE 124 HE2 -0.15 -0.02 -0.13 -0.04 7.38 7.04 1owcA1 PHE 124 HZ -0.13 -0.07 -0.15 -0.04 7.32 6.92 1owcA1 ARG 125 H 0.16 0.05 0.08 -0.55 8.46 8.19 1owcA1 ARG 125 HA 0.12 0.08 0.42 -0.75 4.34 4.21 1owcA1 ARG 125 HB2 0.12 -0.03 0.09 -0.04 1.90 2.04 1owcA1 ARG 125 HB3 0.09 -0.10 -0.04 -0.04 1.80 1.71 1owcA1 ARG 125 HG2 0.05 -0.00 0.02 -0.04 1.67 1.69 1owcA1 ARG 125 HG3 0.06 0.08 0.02 -0.04 1.67 1.79 1owcA1 ARG 125 HD2 0.03 0.02 0.01 -0.04 3.22 3.24 1owcA1 ARG 125 HD3 0.04 0.00 0.04 -0.04 3.22 3.27 1owcA1 ARG 126 H 0.06 0.12 0.17 -0.55 8.46 8.26 1owcA1 ARG 126 HA -0.20 0.19 0.36 -0.75 4.34 3.94 1owcA1 ARG 126 HB2 -0.08 -0.11 0.08 -0.04 1.90 1.75 1owcA1 ARG 126 HB3 -0.22 0.14 0.06 -0.04 1.80 1.73 1owcA1 ARG 126 HG2 -0.05 -0.07 0.12 -0.04 1.67 1.63 1owcA1 ARG 126 HG3 -0.13 -0.02 0.05 -0.04 1.67 1.53 1owcA1 ARG 126 HD2 -0.61 0.07 0.02 -0.04 3.22 2.66 1owcA1 ARG 126 HD3 -0.19 -0.04 0.04 -0.04 3.22 2.99 1owcA1 ASP 127 H 0.03 -0.06 -0.35 -0.55 8.40 7.47 1owcA1 ASP 127 HA 0.01 0.22 0.46 -0.75 4.63 4.57 1owcA1 ASP 127 HB2 0.03 -0.02 0.10 -0.04 2.71 2.78 1owcA1 ASP 127 HB3 0.01 0.02 0.04 -0.04 2.70 2.73 1owcA1 SER 128 H 0.13 0.58 -0.62 -0.55 8.46 8.00 1owcA1 SER 128 HA 0.14 -0.05 0.41 -0.75 4.49 4.23 1owcA1 SER 128 HB2 0.18 0.10 -0.12 -0.04 3.95 4.08 1owcA1 SER 128 HB3 0.18 -0.12 -0.03 -0.04 3.93 3.91 1owcA1 HIS 129 H 0.22 0.05 0.16 -0.55 8.41 8.29 1owcA1 HIS 129 HA 0.04 0.22 0.51 -0.75 4.63 4.65 1owcA1 HIS 129 HB2 0.16 0.11 0.16 -0.04 3.26 3.65 1owcA1 HIS 129 HB3 0.11 -0.16 0.19 -0.04 3.20 3.30 1owcA1 HIS 129 HD2 0.27 0.05 0.03 -0.04 6.97 7.28 1owcA1 HIS 129 HE1 -0.05 0.30 0.15 -0.04 7.75 8.10 1owcA1 PRO 130 HA 0.01 0.13 0.36 -0.51 4.44 4.43 1owcA1 PRO 130 HB2 0.01 -0.01 -0.10 -0.04 2.28 2.14 1owcA1 PRO 130 HB3 0.04 0.24 -0.06 -0.04 2.02 2.21 1owcA1 PRO 130 HG2 -0.04 0.04 -0.12 -0.04 2.03 1.86 1owcA1 PRO 130 HG3 -0.05 0.06 -0.11 -0.04 2.03 1.90 1owcA1 PRO 130 HD2 -0.45 -0.01 0.25 -0.04 3.68 3.42 1owcA1 PRO 130 HD3 -0.06 0.39 0.21 -0.04 3.65 4.14 1owcA1 MET 131 H 0.52 0.11 -0.42 -0.55 8.47 8.14 1owcA1 MET 131 HA -0.40 0.11 0.47 -0.75 4.52 3.95 1owcA1 MET 131 HB2 -0.41 0.07 0.05 -0.04 2.15 1.82 1owcA1 MET 131 HB3 -1.95 0.01 -0.01 -0.04 2.03 0.03 1owcA1 MET 131 HG2 -1.01 -0.00 -0.05 -0.04 2.63 1.52 1owcA1 MET 131 HG3 -2.10 0.01 -0.09 -0.04 2.56 0.33 1owcA1 MET 131 HE3 0.01 0.05 -0.09 -0.04 2.10 2.02 1owcA1 ALA 132 H -0.29 0.34 -0.14 -0.55 8.40 7.76 1owcA1 ALA 132 HA -0.13 0.08 0.52 -0.75 4.34 4.06 1owcA1 ALA 132 HB3 0.17 0.04 0.08 -0.04 1.41 1.66 1owcA1 VAL 133 H -0.16 0.39 -0.20 -0.55 8.24 7.72 1owcA1 VAL 133 HA -0.84 0.07 0.44 -0.75 4.13 3.04 1owcA1 VAL 133 HB -0.21 0.11 0.06 -0.04 2.12 2.04 1owcA1 VAL 133 HG13 -0.79 0.01 -0.08 -0.04 0.97 0.07 1owcA1 VAL 133 HG23 -0.07 0.07 -0.16 -0.04 0.95 0.75 1owcA1 MET 134 H -0.25 0.40 -0.25 -0.55 8.47 7.82 1owcA1 MET 134 HA -0.19 0.06 0.36 -0.75 4.52 3.99 1owcA1 MET 134 HB2 -0.15 0.21 0.15 -0.04 2.15 2.32 1owcA1 MET 134 HB3 -0.23 0.05 0.08 -0.04 2.03 1.89 1owcA1 MET 134 HG2 -0.07 -0.02 -0.03 -0.04 2.63 2.46 1owcA1 MET 134 HG3 -0.06 -0.05 -0.11 -0.04 2.56 2.30 1owcA1 MET 134 HE3 -0.03 -0.01 -0.03 -0.04 2.10 1.99 1owcA1 CYS 135 H -0.22 0.39 -0.30 -0.55 8.50 7.82 1owcA1 CYS 135 HA -0.05 0.03 0.47 -0.75 4.58 4.27 1owcA1 CYS 135 HB2 -0.02 0.07 0.12 -0.04 2.97 3.11 1owcA1 CYS 135 HB3 0.05 -0.02 -0.05 -0.04 2.97 2.91 1owcA1 GLY 136 H -0.08 0.47 -0.24 -0.55 8.43 8.04 1owcA1 GLY 136 HA2 0.09 0.01 0.39 -0.51 4.01 3.99 1owcA1 GLY 136 HA3 0.21 0.09 0.26 -0.51 4.01 4.07 1owcA1 ILE 137 H -0.31 0.68 -0.18 -0.55 8.25 7.89 1owcA1 ILE 137 HA -0.18 0.04 0.40 -0.75 4.18 3.69 1owcA1 ILE 137 HB -0.34 0.05 0.09 -0.04 1.89 1.64 1owcA1 ILE 137 HG12 -1.00 0.19 0.02 -0.04 1.49 0.66 1owcA1 ILE 137 HG13 -1.78 -0.02 -0.08 -0.04 1.21 -0.71 1owcA1 ILE 137 HG23 -0.20 -0.02 -0.16 -0.04 0.93 0.51 1owcA1 ILE 137 HD13 -0.75 0.00 -0.17 -0.04 0.88 -0.08 1owcA1 THR 138 H -0.09 0.61 -0.11 -0.55 8.28 8.14 1owcA1 THR 138 HA -0.01 0.01 0.45 -0.75 4.39 4.09 1owcA1 THR 138 HB -0.01 0.05 0.12 -0.04 4.32 4.45 1owcA1 THR 138 HG23 0.07 0.00 -0.05 -0.04 1.22 1.20 1owcA1 GLY 139 H -0.00 0.62 -0.24 -0.55 8.43 8.26 1owcA1 GLY 139 HA2 0.04 -0.01 0.36 -0.51 4.01 3.90 1owcA1 GLY 139 HA3 0.03 0.09 0.29 -0.51 4.01 3.91 1owcA1 ALA 140 H 0.02 0.33 -0.70 -0.55 8.40 7.49 1owcA1 ALA 140 HA 0.06 0.09 0.70 -0.75 4.34 4.45 1owcA1 ALA 140 HB3 0.10 0.04 0.06 -0.04 1.41 1.57 1owcA1 LEU 141 H 0.00 0.42 -0.20 -0.55 8.37 8.04 1owcA1 LEU 141 HA -0.04 0.02 0.36 -0.75 4.35 3.93 1owcA1 LEU 141 HB2 -0.16 0.08 0.13 -0.04 1.64 1.65 1owcA1 LEU 141 HB3 -0.50 -0.08 -0.00 -0.04 1.64 1.02 1owcA1 LEU 141 HG -0.05 0.20 0.19 -0.04 1.64 1.94 1owcA1 LEU 141 HD13 -0.00 -0.00 0.02 -0.04 0.93 0.91 1owcA1 LEU 141 HD23 -0.02 -0.02 -0.02 -0.04 0.89 0.79 1owcA1 ALA 142 H 0.05 0.22 -0.31 -0.55 8.40 7.81 1owcA1 ALA 142 HA 0.10 0.07 0.20 -0.75 4.34 3.96 1owcA1 ALA 142 HB3 0.19 0.01 -0.04 -0.04 1.41 1.54 1owcA1 ALA 143 H -0.01 0.35 -0.41 -0.55 8.40 7.78 1owcA1 ALA 143 HA -0.07 0.08 0.51 -0.75 4.34 4.10 1owcA1 ALA 143 HB3 -0.29 0.03 0.05 -0.04 1.41 1.15 1owcA1 PHE 144 H -0.02 0.38 -0.16 -0.55 8.34 7.99 1owcA1 PHE 144 HA -0.29 0.12 0.68 -0.75 4.62 4.37 1owcA1 PHE 144 HB2 -0.74 0.11 0.14 -0.04 3.15 2.62 1owcA1 PHE 144 HB3 -0.80 -0.10 0.03 -0.04 3.06 2.15 1owcA1 PHE 144 HD2 -0.37 0.07 -0.00 -0.04 7.28 6.93 1owcA1 PHE 144 HE2 -0.11 0.02 -0.12 -0.04 7.38 7.12 1owcA1 PHE 144 HZ -0.07 0.04 -0.13 -0.04 7.32 7.13 1owcA1 TYR 145 H -0.22 0.61 0.00 -0.55 8.29 8.13 1owcA1 TYR 145 HA -0.26 0.11 0.74 -0.75 4.56 4.39 1owcA1 TYR 145 HB2 -0.54 0.03 0.07 -0.04 3.06 2.58 1owcA1 TYR 145 HB3 -0.10 -0.04 0.13 -0.04 2.98 2.93 1owcA1 TYR 145 HD2 -0.36 0.00 -0.01 -0.04 7.15 6.74 1owcA1 TYR 145 HE2 -0.10 0.02 -0.00 -0.04 6.85 6.72 1owcA1 HIS 146 H -0.65 0.36 -0.71 -0.55 8.41 6.86 1owcA1 HIS 146 HA 0.08 0.20 0.43 -0.75 4.63 4.59 1owcA1 HIS 146 HB2 0.01 -0.06 0.05 -0.04 3.26 3.23 1owcA1 HIS 146 HB3 -0.03 0.17 0.01 -0.04 3.20 3.30 1owcA1 HIS 146 HD2 -0.14 0.34 0.12 -0.04 6.97 7.24 1owcA1 HIS 146 HE1 0.02 -0.04 -0.01 -0.04 7.75 7.67 1owcA1 ASP 147 H -0.02 0.09 -0.38 -0.55 8.40 7.55 1owcA1 ASP 147 HA 0.15 0.20 0.80 -0.75 4.63 5.02 1owcA1 ASP 147 HB2 0.07 0.00 0.12 -0.04 2.71 2.86 1owcA1 ASP 147 HB3 0.18 0.02 0.03 -0.04 2.70 2.89 1owcA1 SER 148 H 0.05 0.35 -0.35 -0.55 8.46 7.97 1owcA1 SER 148 HA -0.98 0.14 0.87 -0.75 4.49 3.76 1owcA1 SER 148 HB2 -0.09 0.11 0.22 -0.04 3.95 4.15 1owcA1 SER 148 HB3 -0.11 -0.02 -0.07 -0.04 3.93 3.69 1owcA1 LEU 149 H 0.10 0.18 -0.23 -0.55 8.37 7.88 1owcA1 LEU 149 HA 0.11 0.20 0.96 -0.75 4.35 4.86 1owcA1 LEU 149 HB2 0.15 0.06 0.01 -0.04 1.64 1.82 1owcA1 LEU 149 HB3 0.14 -0.04 0.16 -0.04 1.64 1.86 1owcA1 LEU 149 HG 0.18 -0.02 -0.11 -0.04 1.64 1.65 1owcA1 LEU 149 HD13 0.14 0.06 0.04 -0.04 0.93 1.12 1owcA1 LEU 149 HD23 0.31 0.02 -0.10 -0.04 0.89 1.08 1owcA1 ASP 150 H 0.66 0.08 -0.07 -0.55 8.40 8.52 1owcA1 ASP 150 HA 0.15 0.16 0.71 -0.75 4.63 4.90 1owcA1 ASP 150 HB2 0.13 0.06 0.10 -0.04 2.71 2.96 1owcA1 ASP 150 HB3 -0.12 -0.03 0.20 -0.04 2.70 2.71 1owcA1 VAL 151 H 0.17 0.36 0.13 -0.55 8.24 8.34 1owcA1 VAL 151 HA 0.13 0.06 0.23 -0.75 4.13 3.81 1owcA1 VAL 151 HB 0.26 0.04 -0.01 -0.04 2.12 2.36 1owcA1 VAL 151 HG13 0.37 0.08 -0.07 -0.04 0.97 1.31 1owcA1 VAL 151 HG23 0.22 0.01 -0.01 -0.04 0.95 1.13 1owcA1 ASN 152 H 0.08 0.01 -0.22 -0.55 8.53 7.85 1owcA1 ASN 152 HA 0.06 0.14 0.35 -0.75 4.76 4.56 1owcA1 ASN 152 HB2 0.04 0.03 0.06 -0.04 2.88 2.96 1owcA1 ASN 152 HB3 0.02 -0.07 -0.01 -0.04 2.79 2.68 1owcA1 ASN 152 HD21 -0.00 0.01 -0.03 -0.04 7.03 6.96 1owcA1 ASN 152 HD22 0.00 -0.05 -0.06 -0.04 7.74 7.60 1owcA1 ASN 153 H -0.01 0.09 -0.38 -0.55 8.53 7.68 1owcA1 ASN 153 HA -0.05 0.11 0.50 -0.75 4.76 4.56 1owcA1 ASN 153 HB2 -0.22 -0.01 0.10 -0.04 2.88 2.71 1owcA1 ASN 153 HB3 -0.25 0.17 0.18 -0.04 2.79 2.86 1owcA1 ASN 153 HD21 -0.19 0.01 0.03 -0.04 7.03 6.83 1owcA1 ASN 153 HD22 -0.41 0.04 0.05 -0.04 7.74 7.37 1owcA1 PRO 154 HA -0.00 0.16 0.41 -0.51 4.44 4.49 1owcA1 PRO 154 HB2 0.02 0.01 0.02 -0.04 2.28 2.28 1owcA1 PRO 154 HB3 -0.00 0.12 0.13 -0.04 2.02 2.23 1owcA1 PRO 154 HG2 0.01 -0.13 0.16 -0.04 2.03 2.03 1owcA1 PRO 154 HG3 0.00 0.09 0.12 -0.04 2.03 2.20 1owcA1 PRO 154 HD2 -0.03 0.01 0.30 -0.04 3.68 3.92 1owcA1 PRO 154 HD3 -0.01 0.36 0.30 -0.04 3.65 4.25 1owcA1 ARG 155 H 0.04 0.14 -0.08 -0.55 8.46 8.01 1owcA1 ARG 155 HA 0.11 0.11 0.53 -0.75 4.34 4.33 1owcA1 ARG 155 HB2 0.10 0.01 0.06 -0.04 1.90 2.03 1owcA1 ARG 155 HB3 0.14 0.02 0.04 -0.04 1.80 1.95 1owcA1 ARG 155 HG2 0.07 0.03 0.03 -0.04 1.67 1.77 1owcA1 ARG 155 HG3 0.06 0.01 0.01 -0.04 1.67 1.72 1owcA1 ARG 155 HD2 0.03 0.04 0.03 -0.04 3.22 3.28 1owcA1 ARG 155 HD3 0.02 -0.04 0.07 -0.04 3.22 3.23 1owcA1 HIS 156 H 0.17 0.19 -0.32 -0.55 8.41 7.90 1owcA1 HIS 156 HA 0.08 0.02 0.44 -0.75 4.63 4.42 1owcA1 HIS 156 HB2 0.06 0.36 0.10 -0.04 3.26 3.74 1owcA1 HIS 156 HB3 0.08 -0.01 -0.23 -0.04 3.20 2.99 1owcA1 HIS 156 HD2 0.07 -0.11 -0.10 -0.04 6.97 6.78 1owcA1 HIS 156 HE1 0.08 -0.00 0.05 -0.04 7.75 7.84 1owcA1 ARG 157 H 0.14 0.35 -0.36 -0.55 8.46 8.03 1owcA1 ARG 157 HA 0.26 0.05 0.54 -0.75 4.34 4.43 1owcA1 ARG 157 HB2 0.05 0.14 0.09 -0.04 1.90 2.14 1owcA1 ARG 157 HB3 0.15 -0.04 0.03 -0.04 1.80 1.89 1owcA1 ARG 157 HG2 -0.02 -0.06 -0.01 -0.04 1.67 1.54 1owcA1 ARG 157 HG3 -0.03 0.21 -0.01 -0.04 1.67 1.81 1owcA1 ARG 157 HD2 -0.15 -0.03 0.02 -0.04 3.22 3.01 1owcA1 ARG 157 HD3 -0.58 -0.07 0.02 -0.04 3.22 2.54 1owcA1 GLU 158 H 0.13 0.29 -0.18 -0.55 8.60 8.30 1owcA1 GLU 158 HA 0.11 0.05 0.38 -0.75 4.29 4.08 1owcA1 GLU 158 HB2 0.16 0.03 0.15 -0.04 2.09 2.38 1owcA1 GLU 158 HB3 0.18 0.17 0.23 -0.04 1.99 2.53 1owcA1 GLU 158 HG2 0.65 -0.04 -0.11 -0.04 2.34 2.80 1owcA1 GLU 158 HG3 0.31 -0.01 -0.00 -0.04 2.34 2.60 1owcA1 ILE 159 H 0.17 0.45 -0.08 -0.55 8.25 8.24 1owcA1 ILE 159 HA 0.23 0.04 0.36 -0.75 4.18 4.06 1owcA1 ILE 159 HB 0.06 0.06 0.14 -0.04 1.89 2.12 1owcA1 ILE 159 HG12 0.12 -0.02 0.02 -0.04 1.49 1.57 1owcA1 ILE 159 HG13 0.15 0.15 0.14 -0.04 1.21 1.61 1owcA1 ILE 159 HG23 0.02 -0.01 -0.10 -0.04 0.93 0.81 1owcA1 ILE 159 HD13 0.10 -0.03 -0.06 -0.04 0.88 0.85 1owcA1 ALA 160 H 0.07 0.58 -0.14 -0.55 8.40 8.36 1owcA1 ALA 160 HA 0.06 -0.03 0.38 -0.75 4.34 4.00 1owcA1 ALA 160 HB3 -0.27 0.03 0.16 -0.04 1.41 1.30 1owcA1 ALA 161 H 0.04 0.81 -0.12 -0.55 8.40 8.58 1owcA1 ALA 161 HA -0.04 -0.05 0.43 -0.75 4.34 3.93 1owcA1 ALA 161 HB3 -0.05 0.01 0.12 -0.04 1.41 1.45 1owcA1 PHE 162 H 0.13 0.70 -0.08 -0.55 8.34 8.55 1owcA1 PHE 162 HA 0.05 -0.06 0.36 -0.75 4.62 4.22 1owcA1 PHE 162 HB2 0.12 0.14 0.14 -0.04 3.15 3.51 1owcA1 PHE 162 HB3 0.12 0.01 -0.05 -0.04 3.06 3.11 1owcA1 PHE 162 HD2 -0.01 0.03 -0.10 -0.04 7.28 7.16 1owcA1 PHE 162 HE2 -0.09 -0.03 -0.02 -0.04 7.38 7.20 1owcA1 PHE 162 HZ 0.27 -0.04 -0.02 -0.04 7.32 7.49 1owcA1 ARG 163 H 0.17 0.59 -0.20 -0.55 8.46 8.47 1owcA1 ARG 163 HA 0.03 0.09 0.46 -0.75 4.34 4.16 1owcA1 ARG 163 HB2 0.13 0.08 0.22 -0.04 1.90 2.29 1owcA1 ARG 163 HB3 -0.16 -0.08 0.03 -0.04 1.80 1.55 1owcA1 ARG 163 HG2 -0.34 -0.00 0.04 -0.04 1.67 1.33 1owcA1 ARG 163 HG3 -0.03 0.13 0.03 -0.04 1.67 1.76 1owcA1 ARG 163 HD2 0.05 -0.03 -0.14 -0.04 3.22 3.05 1owcA1 ARG 163 HD3 -0.51 -0.05 -0.01 -0.04 3.22 2.62 1owcA1 LEU 164 H 0.12 0.62 0.04 -0.55 8.37 8.59 1owcA1 LEU 164 HA 0.11 -0.04 0.33 -0.75 4.35 3.99 1owcA1 LEU 164 HB2 0.05 0.12 0.16 -0.04 1.64 1.93 1owcA1 LEU 164 HB3 0.10 -0.06 -0.00 -0.04 1.64 1.63 1owcA1 LEU 164 HG 0.26 0.04 0.07 -0.04 1.64 1.97 1owcA1 LEU 164 HD13 -0.21 -0.03 -0.15 -0.04 0.93 0.51 1owcA1 LEU 164 HD23 0.26 -0.03 -0.01 -0.04 0.89 1.07 1owcA1 LEU 165 H 0.08 0.74 -0.12 -0.55 8.37 8.52 1owcA1 LEU 165 HA 0.13 -0.07 0.32 -0.75 4.35 3.98 1owcA1 LEU 165 HB2 0.03 0.30 0.10 -0.04 1.64 2.03 1owcA1 LEU 165 HB3 0.12 0.06 0.12 -0.04 1.64 1.90 1owcA1 LEU 165 HG 0.11 -0.05 -0.07 -0.04 1.64 1.58 1owcA1 LEU 165 HD13 0.08 -0.02 -0.00 -0.04 0.93 0.95 1owcA1 LEU 165 HD23 0.01 -0.02 -0.09 -0.04 0.89 0.75 1owcA1 SER 166 H 0.13 0.67 -0.08 -0.55 8.46 8.63 1owcA1 SER 166 HA 0.08 -0.10 0.39 -0.75 4.49 4.11 1owcA1 SER 166 HB2 0.10 0.21 0.10 -0.04 3.95 4.31 1owcA1 SER 166 HB3 0.05 -0.12 -0.45 -0.04 3.93 3.37 1owcA1 LYS 167 H 0.05 0.66 0.02 -0.55 8.42 8.59 1owcA1 LYS 167 HA -0.01 0.18 0.77 -0.75 4.32 4.50 1owcA1 LYS 167 HB2 0.01 -0.01 0.02 -0.04 1.87 1.85 1owcA1 LYS 167 HB3 0.01 -0.18 0.04 -0.04 1.79 1.62 1owcA1 LYS 167 HG2 -0.00 0.15 -0.16 -0.04 1.46 1.41 1owcA1 LYS 167 HG3 -0.00 0.17 0.16 -0.04 1.46 1.74 1owcA1 LYS 167 HD2 -0.18 -0.11 -0.05 -0.04 1.69 1.31 1owcA1 LYS 167 HD3 -0.01 -0.18 0.00 -0.04 1.68 1.45 1owcA1 LYS 167 HE2 -0.18 0.03 0.11 -0.04 2.99 2.90 1owcA1 LYS 167 HE3 -0.67 -0.19 0.03 -0.04 2.99 2.12 1owcA1 MET 168 H 0.05 0.61 -0.07 -0.55 8.47 8.51 1owcA1 MET 168 HA 0.02 -0.04 0.40 -0.75 4.52 4.14 1owcA1 MET 168 HB2 0.07 0.14 0.13 -0.04 2.15 2.45 1owcA1 MET 168 HB3 0.03 -0.11 0.02 -0.04 2.03 1.92 1owcA1 MET 168 HG2 0.09 0.44 0.12 -0.04 2.63 3.25 1owcA1 MET 168 HG3 0.11 -0.04 0.03 -0.04 2.56 2.62 1owcA1 MET 168 HE3 0.06 -0.02 -0.02 -0.04 2.10 2.08 1owcA1 PRO 169 HA -0.10 0.00 0.48 -0.51 4.44 4.30 1owcA1 PRO 169 HB2 -0.15 0.02 -0.06 -0.04 2.28 2.05 1owcA1 PRO 169 HB3 -0.38 -0.03 0.05 -0.04 2.02 1.62 1owcA1 PRO 169 HG2 -0.19 0.15 0.02 -0.04 2.03 1.97 1owcA1 PRO 169 HG3 -0.60 0.00 0.04 -0.04 2.03 1.43 1owcA1 PRO 169 HD2 -0.02 0.17 -0.29 -0.04 3.68 3.50 1owcA1 PRO 169 HD3 0.02 0.11 0.05 -0.04 3.65 3.79 1owcA1 THR 170 H -0.07 0.33 -0.35 -0.55 8.28 7.65 1owcA1 THR 170 HA -0.11 0.07 0.43 -0.75 4.39 4.03 1owcA1 THR 170 HB -0.07 0.12 0.15 -0.04 4.32 4.48 1owcA1 THR 170 HG23 -0.14 -0.04 0.00 -0.04 1.22 1.00 1owcA1 MET 171 H -0.05 0.54 -0.09 -0.55 8.47 8.32 1owcA1 MET 171 HA -0.11 0.04 0.40 -0.75 4.52 4.09 1owcA1 MET 171 HB2 0.00 0.10 0.12 -0.04 2.15 2.34 1owcA1 MET 171 HB3 0.07 -0.07 -0.02 -0.04 2.03 1.97 1owcA1 MET 171 HG2 0.05 -0.06 -0.06 -0.04 2.63 2.52 1owcA1 MET 171 HG3 -0.01 0.24 0.01 -0.04 2.56 2.76 1owcA1 MET 171 HE3 0.03 0.03 -0.21 -0.04 2.10 1.90 1owcA1 ALA 172 H -0.02 0.70 -0.02 -0.55 8.40 8.51 1owcA1 ALA 172 HA 0.00 -0.02 0.40 -0.75 4.34 3.97 1owcA1 ALA 172 HB3 0.03 0.00 0.03 -0.04 1.41 1.44 1owcA1 ALA 173 H 0.06 0.60 -0.18 -0.55 8.40 8.33 1owcA1 ALA 173 HA -0.08 -0.01 0.38 -0.75 4.34 3.87 1owcA1 ALA 173 HB3 -0.16 0.06 -0.05 -0.04 1.41 1.21 1owcA1 MET 174 H -0.27 0.35 -0.38 -0.55 8.47 7.62 1owcA1 MET 174 HA -0.60 0.05 0.53 -0.75 4.52 3.75 1owcA1 MET 174 HB2 -0.76 0.10 0.17 -0.04 2.15 1.62 1owcA1 MET 174 HB3 -2.00 -0.07 0.01 -0.04 2.03 -0.08 1owcA1 MET 174 HG2 -1.66 -0.10 0.05 -0.04 2.63 0.88 1owcA1 MET 174 HG3 -0.64 0.17 0.09 -0.04 2.56 2.14 1owcA1 MET 174 HE3 -1.19 -0.02 -0.03 -0.04 2.10 0.81 1owcA1 CYS 175 H -0.08 0.47 -0.22 -0.55 8.50 8.11 1owcA1 CYS 175 HA 0.15 0.00 0.35 -0.75 4.58 4.33 1owcA1 CYS 175 HB2 0.02 0.25 0.19 -0.04 2.97 3.39 1owcA1 CYS 175 HB3 0.03 -0.15 0.03 -0.04 2.97 2.85 1owcA1 TYR 176 H 0.07 0.30 -0.32 -0.55 8.29 7.79 1owcA1 TYR 176 HA -0.04 -0.02 0.47 -0.75 4.56 4.22 1owcA1 TYR 176 HB2 -0.10 -0.10 0.09 -0.04 3.06 2.90 1owcA1 TYR 176 HB3 -0.17 0.21 0.19 -0.04 2.98 3.17 1owcA1 TYR 176 HD2 -0.19 0.03 0.06 -0.04 7.15 7.01 1owcA1 TYR 176 HE2 -0.05 0.04 -0.01 -0.04 6.85 6.79 1owcA1 LYS 177 H -0.06 0.57 0.05 -0.55 8.42 8.43 1owcA1 LYS 177 HA -0.30 0.02 0.36 -0.75 4.32 3.65 1owcA1 LYS 177 HB2 0.13 -0.08 0.16 -0.04 1.87 2.03 1owcA1 LYS 177 HB3 0.11 0.17 -0.21 -0.04 1.79 1.81 1owcA1 LYS 177 HG2 -0.09 0.14 0.17 -0.04 1.46 1.64 1owcA1 LYS 177 HG3 -0.01 -0.13 0.06 -0.04 1.46 1.33 1owcA1 LYS 177 HD2 -0.08 -0.04 -0.11 -0.04 1.69 1.42 1owcA1 LYS 177 HD3 -0.19 -0.11 0.01 -0.04 1.68 1.36 1owcA1 LYS 177 HE2 -0.12 0.15 -0.20 -0.04 2.99 2.78 1owcA1 LYS 177 HE3 -0.08 -0.01 -0.09 -0.04 2.99 2.77 1owcA1 TYR 178 H 0.22 0.62 -0.25 -0.55 8.29 8.33 1owcA1 TYR 178 HA -0.03 0.01 0.41 -0.75 4.56 4.20 1owcA1 TYR 178 HB2 0.32 0.00 0.07 -0.04 3.06 3.42 1owcA1 TYR 178 HB3 0.11 0.07 0.08 -0.04 2.98 3.20 1owcA1 TYR 178 HD2 -0.06 -0.01 -0.11 -0.04 7.15 6.93 1owcA1 TYR 178 HE2 -0.06 -0.03 -0.25 -0.04 6.85 6.47 1owcA1 SER 179 H 0.03 0.39 -0.19 -0.55 8.46 8.15 1owcA1 SER 179 HA -0.08 0.20 0.56 -0.75 4.49 4.42 1owcA1 SER 179 HB2 -0.01 -0.10 0.18 -0.04 3.95 3.98 1owcA1 SER 179 HB3 0.05 0.03 0.20 -0.04 3.93 4.18 1owcA1 ILE 180 H -0.23 0.33 -0.37 -0.55 8.25 7.43 1owcA1 ILE 180 HA -0.14 0.16 1.02 -0.75 4.18 4.47 1owcA1 ILE 180 HB -0.16 -0.07 0.13 -0.04 1.89 1.74 1owcA1 ILE 180 HG12 -0.62 0.20 0.02 -0.04 1.49 1.06 1owcA1 ILE 180 HG13 -0.26 -0.07 -0.13 -0.04 1.21 0.70 1owcA1 ILE 180 HG23 -0.23 -0.00 -0.08 -0.04 0.93 0.57 1owcA1 ILE 180 HD13 -0.34 -0.01 -0.04 -0.04 0.88 0.45 1owcA1 GLY 181 H -0.22 0.32 -0.01 -0.55 8.43 7.97 1owcA1 GLY 181 HA2 -0.20 -0.01 0.32 -0.51 4.01 3.62 1owcA1 GLY 181 HA3 -0.14 0.04 0.61 -0.51 4.01 4.01 1owcA1 GLN 182 H -0.16 0.38 0.07 -0.55 8.47 8.22 1owcA1 GLN 182 HA -0.09 0.12 0.88 -0.75 4.36 4.51 1owcA1 GLN 182 HB2 -0.14 0.01 0.06 -0.04 2.15 2.04 1owcA1 GLN 182 HB3 -0.07 0.10 0.04 -0.04 2.02 2.05 1owcA1 GLN 182 HG2 -0.06 -0.05 -0.01 -0.04 2.40 2.24 1owcA1 GLN 182 HG3 -0.10 -0.01 -0.22 -0.04 2.39 2.03 1owcA1 GLN 182 HE21 0.01 0.00 -0.03 -0.04 6.97 6.92 1owcA1 GLN 182 HE22 -0.03 -0.04 -0.04 -0.04 7.69 7.54 1owcA1 PRO 183 HA -0.21 -0.01 0.44 -0.51 4.44 4.14 1owcA1 PRO 183 HB2 -0.04 0.10 0.04 -0.04 2.28 2.34 1owcA1 PRO 183 HB3 -0.07 -0.04 0.11 -0.04 2.02 1.98 1owcA1 PRO 183 HG2 -0.03 0.09 0.08 -0.04 2.03 2.13 1owcA1 PRO 183 HG3 -0.03 -0.04 0.11 -0.04 2.03 2.02 1owcA1 PRO 183 HD2 -0.05 0.09 0.24 -0.04 3.68 3.92 1owcA1 PRO 183 HD3 -0.06 0.11 0.20 -0.04 3.65 3.86 1owcA1 PHE 184 H -0.23 -0.00 0.14 -0.55 8.34 7.69 1owcA1 PHE 184 HA -0.19 0.14 0.48 -0.75 4.62 4.30 1owcA1 PHE 184 HB2 -0.24 -0.08 0.05 -0.04 3.15 2.84 1owcA1 PHE 184 HB3 -0.32 0.02 -0.01 -0.04 3.06 2.71 1owcA1 PHE 184 HD2 -0.22 0.02 -0.03 -0.04 7.28 7.01 1owcA1 PHE 184 HE2 -0.24 0.04 0.02 -0.04 7.38 7.17 1owcA1 PHE 184 HZ -0.50 -0.02 -0.04 -0.04 7.32 6.72 1owcA1 VAL 185 H -0.09 0.22 0.13 -0.55 8.24 7.95 1owcA1 VAL 185 HA 0.01 0.10 0.87 -0.75 4.13 4.37 1owcA1 VAL 185 HB -0.10 -0.04 0.15 -0.04 2.12 2.08 1owcA1 VAL 185 HG13 -0.03 0.03 -0.24 -0.04 0.97 0.70 1owcA1 VAL 185 HG23 -0.06 0.03 -0.14 -0.04 0.95 0.74 1owcA1 TYR 186 H 0.22 0.09 0.04 -0.55 8.29 8.10 1owcA1 TYR 186 HA -0.04 0.07 0.43 -0.75 4.56 4.27 1owcA1 TYR 186 HB2 -0.01 -0.03 0.07 -0.04 3.06 3.04 1owcA1 TYR 186 HB3 -0.02 0.07 0.07 -0.04 2.98 3.06 1owcA1 TYR 186 HD2 -0.01 0.01 0.02 -0.04 7.15 7.13 1owcA1 TYR 186 HE2 0.00 -0.01 -0.02 -0.04 6.85 6.78 1owcA1 PRO 187 HA -0.01 0.09 0.43 -0.51 4.44 4.44 1owcA1 PRO 187 HB2 0.02 -0.04 -0.07 -0.04 2.28 2.15 1owcA1 PRO 187 HB3 -0.02 0.05 -0.00 -0.04 2.02 2.01 1owcA1 PRO 187 HG2 0.00 0.00 -0.28 -0.04 2.03 1.71 1owcA1 PRO 187 HG3 -0.04 0.10 -0.03 -0.04 2.03 2.02 1owcA1 PRO 187 HD2 0.12 0.01 0.13 -0.04 3.68 3.90 1owcA1 PRO 187 HD3 -0.02 0.15 0.15 -0.04 3.65 3.89 1owcA1 ARG 188 H 0.01 0.19 0.08 -0.55 8.46 8.19 1owcA1 ARG 188 HA 0.02 0.15 0.79 -0.75 4.34 4.55 1owcA1 ARG 188 HB2 0.03 -0.02 0.13 -0.04 1.90 1.99 1owcA1 ARG 188 HB3 0.03 -0.11 -0.00 -0.04 1.80 1.68 1owcA1 ARG 188 HG2 0.03 0.21 -0.27 -0.04 1.67 1.60 1owcA1 ARG 188 HG3 0.03 0.02 -0.06 -0.04 1.67 1.62 1owcA1 ARG 188 HD2 0.02 -0.02 0.01 -0.04 3.22 3.20 1owcA1 ARG 188 HD3 0.03 0.05 -0.04 -0.04 3.22 3.23 1owcA1 ASN 189 H 0.01 0.22 0.03 -0.55 8.53 8.24 1owcA1 ASN 189 HA 0.01 0.13 0.40 -0.75 4.76 4.55 1owcA1 ASN 189 HB2 0.00 -0.03 0.08 -0.04 2.88 2.89 1owcA1 ASN 189 HB3 0.00 0.02 0.03 -0.04 2.79 2.80 1owcA1 ASN 189 HD21 -0.00 0.04 -0.02 -0.04 7.03 7.01 1owcA1 ASN 189 HD22 -0.01 -0.03 -0.02 -0.04 7.74 7.65 1owcA1 ASP 190 H 0.02 0.03 -0.33 -0.55 8.40 7.58 1owcA1 ASP 190 HA 0.02 0.10 0.34 -0.75 4.63 4.34 1owcA1 ASP 190 HB2 0.02 0.00 0.12 -0.04 2.71 2.81 1owcA1 ASP 190 HB3 0.02 -0.01 0.05 -0.04 2.70 2.71 1owcA1 LEU 191 H 0.03 0.45 -0.57 -0.55 8.37 7.73 1owcA1 LEU 191 HA 0.05 0.15 0.97 -0.75 4.35 4.77 1owcA1 LEU 191 HB2 0.04 0.13 0.01 -0.04 1.64 1.77 1owcA1 LEU 191 HB3 0.06 -0.17 -0.08 -0.04 1.64 1.41 1owcA1 LEU 191 HG 0.04 -0.09 -0.30 -0.04 1.64 1.25 1owcA1 LEU 191 HD13 0.06 0.03 -0.13 -0.04 0.93 0.85 1owcA1 LEU 191 HD23 0.06 0.03 -0.10 -0.04 0.89 0.84 1owcA1 SER 192 H 0.08 0.05 0.13 -0.55 8.46 8.18 1owcA1 SER 192 HA 0.11 0.22 0.55 -0.75 4.49 4.61 1owcA1 SER 192 HB2 0.15 -0.07 0.17 -0.04 3.95 4.15 1owcA1 SER 192 HB3 0.10 0.15 0.13 -0.04 3.93 4.26 1owcA1 TYR 193 H 0.26 0.11 0.17 -0.55 8.29 8.29 1owcA1 TYR 193 HA 0.07 0.22 0.32 -0.75 4.56 4.41 1owcA1 TYR 193 HB2 0.13 0.03 0.17 -0.04 3.06 3.34 1owcA1 TYR 193 HB3 0.14 -0.16 0.16 -0.04 2.98 3.08 1owcA1 TYR 193 HD2 0.01 -0.03 -0.18 -0.04 7.15 6.91 1owcA1 TYR 193 HE2 -0.14 0.10 -0.05 -0.04 6.85 6.72 1owcA1 ALA 194 H 0.25 0.01 -0.07 -0.55 8.40 8.04 1owcA1 ALA 194 HA 0.23 0.16 0.41 -0.75 4.34 4.38 1owcA1 ALA 194 HB3 0.14 0.01 0.10 -0.04 1.41 1.61 1owcA1 GLY 195 H 0.13 -0.00 -0.17 -0.55 8.43 7.85 1owcA1 GLY 195 HA2 0.13 0.06 0.35 -0.51 4.01 4.03 1owcA1 GLY 195 HA3 0.10 0.01 0.26 -0.51 4.01 3.87 1owcA1 ASN 196 H 0.08 0.81 -0.25 -0.55 8.53 8.62 1owcA1 ASN 196 HA 0.02 -0.00 0.37 -0.75 4.76 4.40 1owcA1 ASN 196 HB2 0.02 0.07 -0.12 -0.04 2.88 2.81 1owcA1 ASN 196 HB3 -0.03 0.09 0.02 -0.04 2.79 2.83 1owcA1 ASN 196 HD21 -0.07 -0.00 -0.09 -0.04 7.03 6.82 1owcA1 ASN 196 HD22 -0.14 0.05 -0.16 -0.04 7.74 7.44 1owcA1 PHE 197 H 0.14 0.33 -0.35 -0.55 8.34 7.90 1owcA1 PHE 197 HA -0.14 0.09 0.42 -0.75 4.62 4.23 1owcA1 PHE 197 HB2 -0.14 0.05 0.12 -0.04 3.15 3.13 1owcA1 PHE 197 HB3 -0.04 0.08 0.19 -0.04 3.06 3.25 1owcA1 PHE 197 HD2 -0.11 0.02 -0.02 -0.04 7.28 7.13 1owcA1 PHE 197 HE2 -0.13 -0.02 -0.08 -0.04 7.38 7.11 1owcA1 PHE 197 HZ -0.16 0.01 -0.12 -0.04 7.32 7.01 1owcA1 LEU 198 H 0.07 0.47 -0.02 -0.55 8.37 8.34 1owcA1 LEU 198 HA -0.29 0.06 0.36 -0.75 4.35 3.73 1owcA1 LEU 198 HB2 0.15 0.02 0.09 -0.04 1.64 1.86 1owcA1 LEU 198 HB3 0.26 -0.00 -0.03 -0.04 1.64 1.83 1owcA1 LEU 198 HG 0.16 0.04 -0.01 -0.04 1.64 1.79 1owcA1 LEU 198 HD13 0.16 -0.03 -0.23 -0.04 0.93 0.78 1owcA1 LEU 198 HD23 0.22 0.02 -0.04 -0.04 0.89 1.06 1owcA1 ASN 199 H -0.05 0.37 -0.49 -0.55 8.53 7.81 1owcA1 ASN 199 HA -0.44 -0.01 0.44 -0.75 4.76 4.00 1owcA1 ASN 199 HB2 0.05 -0.02 0.06 -0.04 2.88 2.94 1owcA1 ASN 199 HB3 -0.04 0.17 0.14 -0.04 2.79 3.02 1owcA1 ASN 199 HD21 0.10 -0.01 -0.01 -0.04 7.03 7.07 1owcA1 ASN 199 HD22 0.23 -0.06 -0.05 -0.04 7.74 7.83 1owcA1 MET 200 H -0.19 0.47 -0.04 -0.55 8.47 8.16 1owcA1 MET 200 HA -0.16 0.04 0.31 -0.75 4.52 3.96 1owcA1 MET 200 HB2 -0.20 0.01 0.10 -0.04 2.15 2.02 1owcA1 MET 200 HB3 -0.18 -0.02 0.03 -0.04 2.03 1.82 1owcA1 MET 200 HG2 -0.09 0.11 -0.28 -0.04 2.63 2.33 1owcA1 MET 200 HG3 -0.08 0.08 0.01 -0.04 2.56 2.53 1owcA1 MET 200 HE3 -0.02 0.02 -0.29 -0.04 2.10 1.77 1owcA1 MET 201 H -0.53 0.34 -0.34 -0.55 8.47 7.40 1owcA1 MET 201 HA -0.35 0.08 0.61 -0.75 4.52 4.10 1owcA1 MET 201 HB2 -1.01 0.00 0.12 -0.04 2.15 1.23 1owcA1 MET 201 HB3 -1.49 -0.01 -0.07 -0.04 2.03 0.43 1owcA1 MET 201 HG2 -1.38 0.02 -0.01 -0.04 2.63 1.22 1owcA1 MET 201 HG3 -1.54 -0.11 -0.09 -0.04 2.56 0.79 1owcA1 MET 201 HE3 -0.82 -0.01 -0.05 -0.04 2.10 1.18 1owcA1 PHE 202 H -0.40 0.32 -0.10 -0.55 8.34 7.61 1owcA1 PHE 202 HA -0.04 0.27 1.03 -0.75 4.62 5.12 1owcA1 PHE 202 HB2 -0.35 0.03 0.05 -0.04 3.15 2.85 1owcA1 PHE 202 HB3 -0.02 -0.06 0.03 -0.04 3.06 2.97 1owcA1 PHE 202 HD2 0.03 0.03 -0.02 -0.04 7.28 7.27 1owcA1 PHE 202 HE2 -0.06 -0.05 -0.11 -0.04 7.38 7.12 1owcA1 PHE 202 HZ -0.12 -0.09 -0.17 -0.04 7.32 6.91 1owcA1 SER 203 H -0.35 0.47 0.10 -0.55 8.46 8.14 1owcA1 SER 203 HA -0.05 0.01 0.63 -0.75 4.49 4.32 1owcA1 SER 203 HB2 -0.00 0.00 0.08 -0.04 3.95 3.99 1owcA1 SER 203 HB3 -0.40 -0.13 0.13 -0.04 3.93 3.49 1owcA1 THR 204 H 0.04 0.14 0.22 -0.55 8.28 8.13 1owcA1 THR 204 HA -0.01 0.30 0.79 -0.75 4.39 4.73 1owcA1 THR 204 HB 0.00 0.01 0.15 -0.04 4.32 4.44 1owcA1 THR 204 HG23 0.02 0.06 -0.10 -0.04 1.22 1.15 1owcA1 PRO 205 HA 0.02 0.11 0.47 -0.51 4.44 4.53 1owcA1 PRO 205 HB2 0.01 0.01 0.01 -0.04 2.28 2.26 1owcA1 PRO 205 HB3 0.01 0.00 0.11 -0.04 2.02 2.10 1owcA1 PRO 205 HG2 0.00 0.03 0.07 -0.04 2.03 2.09 1owcA1 PRO 205 HG3 0.02 0.09 0.02 -0.04 2.03 2.11 1owcA1 PRO 205 HD2 -0.00 0.08 0.20 -0.04 3.68 3.91 1owcA1 PRO 205 HD3 -0.01 0.26 0.21 -0.04 3.65 4.08 1owcA1 CYS 206 H 0.01 0.03 -0.45 -0.55 8.50 7.55 1owcA1 CYS 206 HA 0.01 0.08 0.41 -0.75 4.58 4.33 1owcA1 CYS 206 HB2 0.02 0.02 -0.00 -0.04 2.97 2.97 1owcA1 CYS 206 HB3 0.01 -0.01 0.04 -0.04 2.97 2.97 1owcA1 GLU 207 H 0.04 0.31 -0.14 -0.55 8.60 8.25 1owcA1 GLU 207 HA 0.03 0.13 0.57 -0.75 4.29 4.27 1owcA1 GLU 207 HB2 0.03 0.03 0.11 -0.04 2.09 2.22 1owcA1 GLU 207 HB3 0.02 0.02 -0.16 -0.04 1.99 1.83 1owcA1 GLU 207 HG2 0.05 -0.11 -0.09 -0.04 2.34 2.15 1owcA1 GLU 207 HG3 0.08 0.07 -0.25 -0.04 2.34 2.20 1owcA1 PRO 208 HA 0.07 0.08 0.56 -0.51 4.44 4.64 1owcA1 PRO 208 HB2 0.03 0.02 -0.02 -0.04 2.28 2.26 1owcA1 PRO 208 HB3 0.03 0.01 0.08 -0.04 2.02 2.11 1owcA1 PRO 208 HG2 0.01 0.01 0.08 -0.04 2.03 2.09 1owcA1 PRO 208 HG3 0.01 0.02 0.06 -0.04 2.03 2.08 1owcA1 PRO 208 HD2 0.02 0.09 0.22 -0.04 3.68 3.97 1owcA1 PRO 208 HD3 0.02 0.13 0.12 -0.04 3.65 3.88 1owcA1 TYR 209 H 0.17 0.16 0.19 -0.55 8.29 8.25 1owcA1 TYR 209 HA 0.02 0.19 0.91 -0.75 4.56 4.91 1owcA1 TYR 209 HB2 0.03 0.08 0.04 -0.04 3.06 3.17 1owcA1 TYR 209 HB3 0.03 -0.04 0.10 -0.04 2.98 3.03 1owcA1 TYR 209 HD2 0.04 -0.02 -0.21 -0.04 7.15 6.92 1owcA1 TYR 209 HE2 0.05 -0.05 -0.20 -0.04 6.85 6.61 1owcA1 GLU 210 H -0.51 0.26 0.05 -0.55 8.60 7.85 1owcA1 GLU 210 HA -0.08 0.12 0.86 -0.75 4.29 4.44 1owcA1 GLU 210 HB2 -0.18 0.01 0.07 -0.04 2.09 1.96 1owcA1 GLU 210 HB3 -0.10 0.02 -0.05 -0.04 1.99 1.82 1owcA1 GLU 210 HG2 -0.04 -0.00 -0.09 -0.04 2.34 2.16 1owcA1 GLU 210 HG3 -0.05 0.01 -0.51 -0.04 2.34 1.75 1owcA1 VAL 211 H -0.01 0.16 0.06 -0.55 8.24 7.90 1owcA1 VAL 211 HA -0.02 0.09 0.54 -0.75 4.13 3.99 1owcA1 VAL 211 HB 0.07 -0.02 0.09 -0.04 2.12 2.21 1owcA1 VAL 211 HG13 0.11 -0.03 -0.17 -0.04 0.97 0.84 1owcA1 VAL 211 HG23 0.24 0.02 -0.06 -0.04 0.95 1.11 1owcA1 ASN 212 H -0.03 0.20 0.19 -0.55 8.53 8.34 1owcA1 ASN 212 HA -0.03 0.20 0.57 -0.75 4.76 4.74 1owcA1 ASN 212 HB2 -0.06 0.20 0.15 -0.04 2.88 3.13 1owcA1 ASN 212 HB3 0.00 -0.10 0.22 -0.04 2.79 2.86 1owcA1 ASN 212 HD21 -0.02 0.06 0.02 -0.04 7.03 7.05 1owcA1 ASN 212 HD22 -0.03 0.13 0.03 -0.04 7.74 7.82 1owcA1 PRO 213 HA 0.03 0.02 0.36 -0.51 4.44 4.34 1owcA1 PRO 213 HB2 0.01 0.04 0.05 -0.04 2.28 2.34 1owcA1 PRO 213 HB3 0.02 0.04 0.10 -0.04 2.02 2.14 1owcA1 PRO 213 HG2 0.00 0.07 0.10 -0.04 2.03 2.17 1owcA1 PRO 213 HG3 0.01 0.08 0.11 -0.04 2.03 2.19 1owcA1 PRO 213 HD2 -0.01 0.08 0.23 -0.04 3.68 3.95 1owcA1 PRO 213 HD3 -0.01 0.35 0.37 -0.04 3.65 4.33 1owcA1 ILE 214 H 0.01 0.14 -0.27 -0.55 8.25 7.58 1owcA1 ILE 214 HA 0.02 0.13 0.48 -0.75 4.18 4.05 1owcA1 ILE 214 HB 0.00 -0.01 0.07 -0.04 1.89 1.91 1owcA1 ILE 214 HG12 -0.00 -0.05 0.04 -0.04 1.49 1.44 1owcA1 ILE 214 HG13 -0.01 0.09 0.02 -0.04 1.21 1.27 1owcA1 ILE 214 HG23 0.00 0.03 -0.16 -0.04 0.93 0.77 1owcA1 ILE 214 HD13 0.00 0.01 -0.05 -0.04 0.88 0.80 1owcA1 LEU 215 H 0.02 0.13 -0.07 -0.55 8.37 7.91 1owcA1 LEU 215 HA 0.04 0.11 0.42 -0.75 4.35 4.17 1owcA1 LEU 215 HB2 0.06 0.01 0.11 -0.04 1.64 1.78 1owcA1 LEU 215 HB3 0.07 0.06 0.04 -0.04 1.64 1.78 1owcA1 LEU 215 HG 0.01 -0.08 0.06 -0.04 1.64 1.58 1owcA1 LEU 215 HD13 -0.00 0.04 0.02 -0.04 0.93 0.94 1owcA1 LEU 215 HD23 0.01 0.01 -0.07 -0.04 0.89 0.80 1owcA1 GLU 216 H 0.06 0.59 -0.25 -0.55 8.60 8.46 1owcA1 GLU 216 HA 0.11 0.02 0.25 -0.75 4.29 3.91 1owcA1 GLU 216 HB2 0.08 0.02 -0.10 -0.04 2.09 2.05 1owcA1 GLU 216 HB3 0.06 0.06 0.06 -0.04 1.99 2.13 1owcA1 GLU 216 HG2 0.08 0.06 -0.30 -0.04 2.34 2.14 1owcA1 GLU 216 HG3 0.10 -0.20 -0.10 -0.04 2.34 2.10 1owcA1 ARG 217 H 0.05 0.67 -0.07 -0.55 8.46 8.56 1owcA1 ARG 217 HA 0.06 -0.05 0.53 -0.75 4.34 4.12 1owcA1 ARG 217 HB2 0.04 0.01 0.17 -0.04 1.90 2.08 1owcA1 ARG 217 HB3 0.03 0.10 0.17 -0.04 1.80 2.06 1owcA1 ARG 217 HG2 0.03 0.02 -0.08 -0.04 1.67 1.60 1owcA1 ARG 217 HG3 0.04 -0.06 0.11 -0.04 1.67 1.72 1owcA1 ARG 217 HD2 0.02 -0.01 0.02 -0.04 3.22 3.21 1owcA1 ARG 217 HD3 0.02 0.07 0.02 -0.04 3.22 3.29 1owcA1 ALA 218 H 0.05 0.50 -0.34 -0.55 8.40 8.06 1owcA1 ALA 218 HA 0.04 0.02 0.40 -0.75 4.34 4.05 1owcA1 ALA 218 HB3 0.04 0.03 0.07 -0.04 1.41 1.52 1owcA1 MET 219 H 0.08 0.56 -0.18 -0.55 8.47 8.38 1owcA1 MET 219 HA 0.08 0.07 0.51 -0.75 4.52 4.42 1owcA1 MET 219 HB2 0.13 0.10 0.07 -0.04 2.15 2.42 1owcA1 MET 219 HB3 0.13 0.03 0.15 -0.04 2.03 2.29 1owcA1 MET 219 HG2 0.29 0.04 -0.02 -0.04 2.63 2.90 1owcA1 MET 219 HG3 0.11 -0.10 -0.17 -0.04 2.56 2.36 1owcA1 MET 219 HE3 0.21 0.02 -0.06 -0.04 2.10 2.22 1owcA1 ASP 220 H 0.08 0.56 -0.08 -0.55 8.40 8.41 1owcA1 ASP 220 HA 0.06 -0.09 0.35 -0.75 4.63 4.19 1owcA1 ASP 220 HB2 0.09 -0.00 0.21 -0.04 2.71 2.96 1owcA1 ASP 220 HB3 0.07 0.28 0.22 -0.04 2.70 3.23 1owcA1 ARG 221 H 0.06 0.48 -0.37 -0.55 8.46 8.08 1owcA1 ARG 221 HA 0.05 0.02 0.47 -0.75 4.34 4.13 1owcA1 ARG 221 HB2 0.05 0.12 0.06 -0.04 1.90 2.09 1owcA1 ARG 221 HB3 0.04 -0.09 -0.00 -0.04 1.80 1.70 1owcA1 ARG 221 HG2 0.04 0.00 0.05 -0.04 1.67 1.72 1owcA1 ARG 221 HG3 0.04 0.31 0.09 -0.04 1.67 2.07 1owcA1 ARG 221 HD2 0.02 -0.07 -0.03 -0.04 3.22 3.11 1owcA1 ARG 221 HD3 0.02 0.07 0.00 -0.04 3.22 3.27 1owcA1 ILE 222 H 0.06 0.40 -0.24 -0.55 8.25 7.93 1owcA1 ILE 222 HA 0.14 -0.01 0.38 -0.75 4.18 3.94 1owcA1 ILE 222 HB 0.06 0.14 0.14 -0.04 1.89 2.18 1owcA1 ILE 222 HG12 0.10 -0.10 0.03 -0.04 1.49 1.48 1owcA1 ILE 222 HG13 0.07 0.36 0.15 -0.04 1.21 1.75 1owcA1 ILE 222 HG23 0.14 -0.02 -0.15 -0.04 0.93 0.86 1owcA1 ILE 222 HD13 0.04 -0.03 -0.04 -0.04 0.88 0.82 1owcA1 LEU 223 H 0.01 0.44 -0.30 -0.55 8.37 7.97 1owcA1 LEU 223 HA -0.08 0.08 0.37 -0.75 4.35 3.97 1owcA1 LEU 223 HB2 -0.18 0.04 0.14 -0.04 1.64 1.60 1owcA1 LEU 223 HB3 -0.91 -0.03 -0.02 -0.04 1.64 0.64 1owcA1 LEU 223 HG -0.10 0.32 -0.06 -0.04 1.64 1.77 1owcA1 LEU 223 HD13 -0.17 -0.04 -0.11 -0.04 0.93 0.56 1owcA1 LEU 223 HD23 -0.33 0.01 -0.10 -0.04 0.89 0.42 1owcA1 ILE 224 H 0.12 0.56 0.01 -0.55 8.25 8.39 1owcA1 ILE 224 HA 0.21 0.00 0.38 -0.75 4.18 4.02 1owcA1 ILE 224 HB 0.08 0.11 0.09 -0.04 1.89 2.12 1owcA1 ILE 224 HG12 0.10 -0.08 -0.19 -0.04 1.49 1.28 1owcA1 ILE 224 HG13 0.20 0.07 0.06 -0.04 1.21 1.49 1owcA1 ILE 224 HG23 0.05 0.00 -0.32 -0.04 0.93 0.62 1owcA1 ILE 224 HD13 0.06 -0.02 -0.32 -0.04 0.88 0.55 1owcA1 LEU 225 H 0.07 0.56 -0.30 -0.55 8.37 8.16 1owcA1 LEU 225 HA -0.01 -0.02 0.36 -0.75 4.35 3.93 1owcA1 LEU 225 HB2 0.03 0.20 0.09 -0.04 1.64 1.92 1owcA1 LEU 225 HB3 -0.13 -0.13 0.11 -0.04 1.64 1.45 1owcA1 LEU 225 HG 0.02 0.01 0.05 -0.04 1.64 1.68 1owcA1 LEU 225 HD13 0.00 0.01 -0.06 -0.04 0.93 0.84 1owcA1 LEU 225 HD23 -0.03 -0.04 0.05 -0.04 0.89 0.82 1owcA1 HIS 226 H 0.10 0.38 -0.90 -0.55 8.41 7.45 1owcA1 HIS 226 HA -0.11 0.07 0.74 -0.75 4.63 4.57 1owcA1 HIS 226 HB2 -0.02 0.16 0.04 -0.04 3.26 3.41 1owcA1 HIS 226 HB3 -0.05 -0.02 0.11 -0.04 3.20 3.20 1owcA1 HIS 226 HD2 -0.32 -0.05 -0.03 -0.04 6.97 6.53 1owcA1 HIS 226 HE1 -0.37 -0.07 -0.14 -0.04 7.75 7.13 1owcA1 ALA 227 H 0.04 0.40 -0.10 -0.55 8.40 8.19 1owcA1 ALA 227 HA 0.04 0.27 0.25 -0.75 4.34 4.14 1owcA1 ALA 227 HB3 -0.08 -0.03 0.08 -0.04 1.41 1.34 1owcA1 ASP 228 H -0.05 0.24 -0.18 -0.55 8.40 7.87 1owcA1 ASP 228 HA -0.04 0.11 0.44 -0.75 4.63 4.39 1owcA1 ASP 228 HB2 -0.06 0.15 -0.14 -0.04 2.71 2.62 1owcA1 ASP 228 HB3 -0.12 -0.02 -0.12 -0.04 2.70 2.40 1owcA1 HIS 229 H 0.15 0.19 0.03 -0.55 8.41 8.24 1owcA1 HIS 229 HA 0.12 0.19 0.64 -0.75 4.63 4.83 1owcA1 HIS 229 HB2 0.04 0.05 -0.24 -0.04 3.26 3.08 1owcA1 HIS 229 HB3 0.06 -0.06 0.15 -0.04 3.20 3.30 1owcA1 HIS 229 HD2 0.07 0.08 0.03 -0.04 6.97 7.10 1owcA1 HIS 229 HE1 -0.23 -0.06 -0.02 -0.04 7.75 7.39 1owcA1 GLU 230 H 0.22 0.11 -0.10 -0.55 8.60 8.28 1owcA1 GLU 230 HA 0.13 0.05 0.19 -0.75 4.29 3.91 1owcA1 GLU 230 HB2 -0.06 -0.03 -0.37 -0.04 2.09 1.59 1owcA1 GLU 230 HB3 -0.11 0.14 0.11 -0.04 1.99 2.09 1owcA1 GLU 230 HG2 0.04 0.00 0.09 -0.04 2.34 2.43 1owcA1 GLU 230 HG3 -0.03 0.07 -0.10 -0.04 2.34 2.24 1owcA1 GLN 231 H -0.02 0.15 0.08 -0.55 8.47 8.14 1owcA1 GLN 231 HA -0.08 0.11 0.67 -0.75 4.36 4.31 1owcA1 GLN 231 HB2 -0.01 0.03 0.17 -0.04 2.15 2.31 1owcA1 GLN 231 HB3 -0.00 0.05 0.15 -0.04 2.02 2.17 1owcA1 GLN 231 HG2 0.03 -0.07 0.08 -0.04 2.40 2.40 1owcA1 GLN 231 HG3 0.03 0.04 0.03 -0.04 2.39 2.45 1owcA1 GLN 231 HE21 0.31 0.04 -0.11 -0.04 6.97 7.17 1owcA1 GLN 231 HE22 0.16 -0.00 -0.07 -0.04 7.69 7.74 1owcA1 ASN 232 H 0.01 0.35 -0.53 -0.55 8.53 7.82 1owcA1 ASN 232 HA 0.02 0.15 0.34 -0.75 4.76 4.52 1owcA1 ASN 232 HB2 0.10 -0.12 0.18 -0.04 2.88 2.99 1owcA1 ASN 232 HB3 0.06 0.13 0.07 -0.04 2.79 3.01 1owcA1 ASN 232 HD21 0.23 0.02 -0.04 -0.04 7.03 7.19 1owcA1 ASN 232 HD22 0.22 0.05 0.01 -0.04 7.74 7.98 1owcA1 ALA 233 H 0.07 0.15 0.15 -0.55 8.40 8.22 1owcA1 ALA 233 HA 0.06 0.17 0.45 -0.75 4.34 4.26 1owcA1 ALA 233 HB3 0.05 0.03 0.11 -0.04 1.41 1.56 1owcA1 SER 234 H 0.15 0.11 -0.09 -0.55 8.46 8.08 1owcA1 SER 234 HA 0.04 0.13 0.40 -0.75 4.49 4.30 1owcA1 SER 234 HB2 0.20 0.15 0.03 -0.04 3.95 4.29 1owcA1 SER 234 HB3 0.19 0.05 -0.19 -0.04 3.93 3.93 1owcA1 THR 235 H 0.20 0.09 -0.40 -0.55 8.28 7.62 1owcA1 THR 235 HA 0.18 0.13 0.58 -0.75 4.39 4.52 1owcA1 THR 235 HB 0.07 0.05 0.02 -0.04 4.32 4.42 1owcA1 THR 235 HG23 -0.17 0.01 -0.13 -0.04 1.22 0.89 1owcA1 SER 236 H 0.06 0.44 -0.29 -0.55 8.46 8.12 1owcA1 SER 236 HA 0.03 0.03 0.41 -0.75 4.49 4.20 1owcA1 SER 236 HB2 0.06 0.10 0.13 -0.04 3.95 4.19 1owcA1 SER 236 HB3 0.05 -0.05 0.03 -0.04 3.93 3.92 1owcA1 THR 237 H 0.01 0.32 -0.36 -0.55 8.28 7.70 1owcA1 THR 237 HA 0.01 0.04 0.40 -0.75 4.39 4.08 1owcA1 THR 237 HB -0.08 0.18 0.03 -0.04 4.32 4.41 1owcA1 THR 237 HG23 -0.04 -0.00 -0.12 -0.04 1.22 1.02 1owcA1 VAL 238 H -0.07 0.21 -0.40 -0.55 8.24 7.42 1owcA1 VAL 238 HA -0.07 0.06 0.40 -0.75 4.13 3.76 1owcA1 VAL 238 HB 0.02 0.09 0.17 -0.04 2.12 2.36 1owcA1 VAL 238 HG13 0.17 -0.02 -0.15 -0.04 0.97 0.93 1owcA1 VAL 238 HG23 -0.78 0.14 0.09 -0.04 0.95 0.35 1owcA1 ARG 239 H 0.07 0.46 -0.21 -0.55 8.46 8.23 1owcA1 ARG 239 HA 0.15 0.07 0.41 -0.75 4.34 4.22 1owcA1 ARG 239 HB2 0.04 0.05 0.12 -0.04 1.90 2.08 1owcA1 ARG 239 HB3 0.03 0.01 -0.04 -0.04 1.80 1.76 1owcA1 ARG 239 HG2 0.14 0.09 -0.09 -0.04 1.67 1.77 1owcA1 ARG 239 HG3 0.14 0.04 -0.06 -0.04 1.67 1.75 1owcA1 ARG 239 HD2 0.05 -0.03 -0.08 -0.04 3.22 3.11 1owcA1 ARG 239 HD3 0.05 0.03 -0.07 -0.04 3.22 3.19 1owcA1 THR 240 H 0.03 0.60 -0.11 -0.55 8.28 8.25 1owcA1 THR 240 HA 0.01 0.03 0.43 -0.75 4.39 4.10 1owcA1 THR 240 HB 0.03 0.02 0.19 -0.04 4.32 4.51 1owcA1 THR 240 HG23 0.03 -0.01 -0.08 -0.04 1.22 1.12 1owcA1 ALA 241 H 0.04 0.68 -0.05 -0.55 8.40 8.52 1owcA1 ALA 241 HA 0.04 0.01 0.34 -0.75 4.34 3.98 1owcA1 ALA 241 HB3 0.03 -0.01 0.06 -0.04 1.41 1.45 1owcA1 GLY 242 H 0.16 0.44 -0.37 -0.55 8.43 8.11 1owcA1 GLY 242 HA2 0.40 0.08 0.31 -0.51 4.01 4.29 1owcA1 GLY 242 HA3 0.41 0.10 0.29 -0.51 4.01 4.30 1owcA1 SER 243 H 0.03 0.66 -0.10 -0.55 8.46 8.50 1owcA1 SER 243 HA -0.15 0.04 0.35 -0.75 4.49 3.97 1owcA1 SER 243 HB2 -0.07 -0.02 -0.12 -0.04 3.95 3.69 1owcA1 SER 243 HB3 -0.07 0.05 0.07 -0.04 3.93 3.94 1owcA1 SER 244 H 0.04 0.35 -0.58 -0.55 8.46 7.72 1owcA1 SER 244 HA 0.02 0.04 0.50 -0.75 4.49 4.29 1owcA1 SER 244 HB2 0.05 0.22 0.17 -0.04 3.95 4.34 1owcA1 SER 244 HB3 0.03 -0.09 0.15 -0.04 3.93 3.97 1owcA1 GLY 245 H 0.07 0.53 -0.46 -0.55 8.43 8.02 1owcA1 GLY 245 HA2 0.11 0.01 0.27 -0.51 4.01 3.88 1owcA1 GLY 245 HA3 0.07 0.08 0.64 -0.51 4.01 4.29 1owcA1 ALA 246 H 0.11 0.27 -0.19 -0.55 8.40 8.04 1owcA1 ALA 246 HA 0.09 -0.02 0.39 -0.75 4.34 4.04 1owcA1 ALA 246 HB3 0.07 -0.01 -0.08 -0.04 1.41 1.35 1owcA1 ASN 247 H 0.08 0.06 0.20 -0.55 8.53 8.32 1owcA1 ASN 247 HA 0.10 0.22 0.45 -0.75 4.76 4.78 1owcA1 ASN 247 HB2 0.02 0.06 0.20 -0.04 2.88 3.12 1owcA1 ASN 247 HB3 0.10 0.12 0.23 -0.04 2.79 3.19 1owcA1 ASN 247 HD21 0.11 0.02 0.02 -0.04 7.03 7.14 1owcA1 ASN 247 HD22 0.09 0.10 0.11 -0.04 7.74 8.00 1owcA1 PRO 248 HA -1.13 0.09 0.39 -0.51 4.44 3.27 1owcA1 PRO 248 HB2 -1.06 0.03 -0.05 -0.04 2.28 1.16 1owcA1 PRO 248 HB3 -2.08 0.09 0.09 -0.04 2.02 0.07 1owcA1 PRO 248 HG2 -1.27 -0.05 0.12 -0.04 2.03 0.79 1owcA1 PRO 248 HG3 -0.54 0.14 0.08 -0.04 2.03 1.67 1owcA1 PRO 248 HD2 -0.16 0.11 0.27 -0.04 3.68 3.86 1owcA1 PRO 248 HD3 0.03 0.20 0.15 -0.04 3.65 3.98 1owcA1 PHE 249 H -0.66 0.17 -0.22 -0.55 8.34 7.07 1owcA1 PHE 249 HA -0.11 0.09 0.43 -0.75 4.62 4.28 1owcA1 PHE 249 HB2 -0.01 -0.04 -0.01 -0.04 3.15 3.05 1owcA1 PHE 249 HB3 0.00 0.14 0.09 -0.04 3.06 3.25 1owcA1 PHE 249 HD2 -0.01 -0.01 -0.03 -0.04 7.28 7.19 1owcA1 PHE 249 HE2 -0.02 0.11 0.00 -0.04 7.38 7.43 1owcA1 PHE 249 HZ -0.06 -0.00 0.03 -0.04 7.32 7.25 1owcA1 ALA 250 H -0.01 0.30 -0.28 -0.55 8.40 7.87 1owcA1 ALA 250 HA 0.03 0.10 0.47 -0.75 4.34 4.18 1owcA1 ALA 250 HB3 0.03 0.05 0.02 -0.04 1.41 1.47 1owcA1 CYS 251 H -0.16 0.41 -0.21 -0.55 8.50 7.99 1owcA1 CYS 251 HA -0.09 0.05 0.43 -0.75 4.58 4.22 1owcA1 CYS 251 HB2 -0.41 0.07 0.03 -0.04 2.97 2.63 1owcA1 CYS 251 HB3 -0.06 0.02 0.06 -0.04 2.97 2.96 1owcA1 ILE 252 H -0.20 0.54 -0.16 -0.55 8.25 7.87 1owcA1 ILE 252 HA -0.26 0.03 0.52 -0.75 4.18 3.71 1owcA1 ILE 252 HB -0.05 0.11 0.14 -0.04 1.89 2.05 1owcA1 ILE 252 HG12 0.05 0.01 -0.01 -0.04 1.49 1.50 1owcA1 ILE 252 HG13 0.28 -0.05 0.02 -0.04 1.21 1.41 1owcA1 ILE 252 HG23 0.16 -0.00 -0.13 -0.04 0.93 0.92 1owcA1 ILE 252 HD13 -0.23 0.02 -0.13 -0.04 0.88 0.51 1owcA1 ALA 253 H -0.06 0.47 -0.30 -0.55 8.40 7.97 1owcA1 ALA 253 HA -0.03 0.01 0.34 -0.75 4.34 3.91 1owcA1 ALA 253 HB3 0.00 0.06 -0.03 -0.04 1.41 1.40 1owcA1 ALA 254 H -0.12 0.36 -0.46 -0.55 8.40 7.63 1owcA1 ALA 254 HA -0.04 0.03 0.47 -0.75 4.34 4.05 1owcA1 ALA 254 HB3 -0.08 0.05 0.04 -0.04 1.41 1.38 1owcA1 GLY 255 H -0.46 0.45 -0.24 -0.55 8.43 7.63 1owcA1 GLY 255 HA2 -0.54 0.04 0.44 -0.51 4.01 3.44 1owcA1 GLY 255 HA3 -1.65 0.09 0.29 -0.51 4.01 2.23 1owcA1 ILE 256 H -0.29 0.50 -0.30 -0.55 8.25 7.60 1owcA1 ILE 256 HA 0.29 -0.00 0.37 -0.75 4.18 4.08 1owcA1 ILE 256 HB 0.00 0.17 0.07 -0.04 1.89 2.09 1owcA1 ILE 256 HG12 0.36 -0.06 -0.07 -0.04 1.49 1.68 1owcA1 ILE 256 HG13 0.12 0.23 0.01 -0.04 1.21 1.53 1owcA1 ILE 256 HG23 -0.05 -0.02 -0.16 -0.04 0.93 0.65 1owcA1 ILE 256 HD13 0.07 -0.01 -0.12 -0.04 0.88 0.78 1owcA1 ALA 257 H 0.06 0.41 -0.25 -0.55 8.40 8.07 1owcA1 ALA 257 HA 0.70 0.01 0.38 -0.75 4.34 4.67 1owcA1 ALA 257 HB3 0.18 0.04 0.07 -0.04 1.41 1.65 1owcA1 SER 258 H 0.06 0.55 -0.19 -0.55 8.46 8.33 1owcA1 SER 258 HA 0.07 0.05 0.48 -0.75 4.49 4.33 1owcA1 SER 258 HB2 0.02 0.07 0.11 -0.04 3.95 4.11 1owcA1 SER 258 HB3 0.05 -0.13 -0.02 -0.04 3.93 3.79 1owcA1 LEU 259 H 0.23 0.42 -0.35 -0.55 8.37 8.12 1owcA1 LEU 259 HA 0.26 -0.05 0.47 -0.75 4.35 4.28 1owcA1 LEU 259 HB2 0.53 0.09 0.10 -0.04 1.64 2.31 1owcA1 LEU 259 HB3 0.38 0.19 0.16 -0.04 1.64 2.32 1owcA1 LEU 259 HG 0.31 -0.07 -0.07 -0.04 1.64 1.77 1owcA1 LEU 259 HD13 0.37 -0.02 -0.08 -0.04 0.93 1.16 1owcA1 LEU 259 HD23 0.31 -0.02 -0.09 -0.04 0.89 1.05 1owcA1 TRP 260 H 0.60 0.52 -0.09 -0.55 7.97 8.45 1owcA1 TRP 260 HA 0.06 0.10 0.71 -0.75 4.62 4.73 1owcA1 TRP 260 HB2 0.04 -0.09 0.12 -0.04 3.23 3.27 1owcA1 TRP 260 HB3 0.08 0.02 0.03 -0.04 3.23 3.32 1owcA1 TRP 260 HD1 0.09 0.15 0.14 -0.04 7.22 7.56 1owcA1 TRP 260 HE1 0.05 -0.01 -0.06 -0.04 10.20 10.14 1owcA1 TRP 260 HE3 -0.14 -0.02 -0.01 -0.04 7.59 7.37 1owcA1 TRP 260 HZ2 -0.10 0.04 -0.08 -0.04 7.44 7.26 1owcA1 TRP 260 HZ3 -0.59 0.01 -0.02 -0.04 7.13 6.48 1owcA1 TRP 260 HH2 -0.16 -0.00 -0.02 -0.04 7.19 6.96 1owcA1 GLY 261 H 0.05 0.24 -0.86 -0.55 8.43 7.31 1owcA1 GLY 261 HA2 -0.66 0.05 0.29 -0.51 4.01 3.18 1owcA1 GLY 261 HA3 -0.19 0.08 0.23 -0.51 4.01 3.63 1owcA1 PRO 262 HA -0.16 0.06 0.48 -0.51 4.44 4.31 1owcA1 PRO 262 HB2 -0.01 -0.03 -0.05 -0.04 2.28 2.15 1owcA1 PRO 262 HB3 -0.04 0.00 0.07 -0.04 2.02 2.02 1owcA1 PRO 262 HG2 0.05 0.05 0.01 -0.04 2.03 2.10 1owcA1 PRO 262 HG3 0.04 0.01 0.04 -0.04 2.03 2.09 1owcA1 PRO 262 HD2 0.01 0.20 -0.15 -0.04 3.68 3.70 1owcA1 PRO 262 HD3 -0.04 0.10 0.04 -0.04 3.65 3.71 1owcA1 ALA 263 H -0.11 0.28 -0.47 -0.55 8.40 7.56 1owcA1 ALA 263 HA 0.03 0.02 0.25 -0.75 4.34 3.89 1owcA1 ALA 263 HB3 0.17 0.06 0.05 -0.04 1.41 1.65 1owcA1 HIS 264 H -0.75 0.42 -0.25 -0.55 8.41 7.29 1owcA1 HIS 264 HA -0.10 0.10 0.80 -0.75 4.63 4.67 1owcA1 HIS 264 HB2 -0.23 -0.03 0.21 -0.04 3.26 3.18 1owcA1 HIS 264 HB3 -0.33 -0.01 0.05 -0.04 3.20 2.86 1owcA1 HIS 264 HD2 -1.99 -0.06 -0.02 -0.04 6.97 4.85 1owcA1 HIS 264 HE1 -0.34 -0.03 -0.01 -0.04 7.75 7.32 1owcA1 GLY 265 H -0.15 0.48 -0.72 -0.55 8.43 7.50 1owcA1 GLY 265 HA2 -0.11 0.20 0.55 -0.51 4.01 4.14 1owcA1 GLY 265 HA3 -0.12 0.03 0.40 -0.51 4.01 3.81 1owcA1 GLY 266 H -0.03 0.25 -0.63 -0.55 8.43 7.47 1owcA1 GLY 266 HA2 -0.01 0.10 0.34 -0.51 4.01 3.92 1owcA1 GLY 266 HA3 -0.02 0.16 0.38 -0.51 4.01 4.02 1owcA1 ALA 267 H -0.03 0.58 0.27 -0.55 8.40 8.67 1owcA1 ALA 267 HA -0.03 0.11 0.51 -0.75 4.34 4.17 1owcA1 ALA 267 HB3 -0.04 0.02 0.03 -0.04 1.41 1.38 1owcA1 ASN 268 H -0.04 0.12 -0.40 -0.55 8.53 7.67 1owcA1 ASN 268 HA -0.03 0.14 0.52 -0.75 4.76 4.64 1owcA1 ASN 268 HB2 -0.03 0.17 0.06 -0.04 2.88 3.03 1owcA1 ASN 268 HB3 0.00 -0.02 -0.03 -0.04 2.79 2.71 1owcA1 ASN 268 HD21 -0.04 -0.06 0.06 -0.04 7.03 6.95 1owcA1 ASN 268 HD22 -0.06 -0.04 0.05 -0.04 7.74 7.65 1owcA1 GLU 269 H -0.01 -0.12 -0.35 -0.55 8.60 7.57 1owcA1 GLU 269 HA 0.04 0.18 0.45 -0.75 4.29 4.21 1owcA1 GLU 269 HB2 0.01 -0.23 0.11 -0.04 2.09 1.94 1owcA1 GLU 269 HB3 0.01 0.08 0.06 -0.04 1.99 2.10 1owcA1 GLU 269 HG2 0.05 0.01 0.03 -0.04 2.34 2.39 1owcA1 GLU 269 HG3 0.06 0.05 0.10 -0.04 2.34 2.51 1owcA1 ALA 270 H -0.01 0.32 -0.33 -0.55 8.40 7.84 1owcA1 ALA 270 HA 0.01 0.10 0.51 -0.75 4.34 4.20 1owcA1 ALA 270 HB3 -0.01 0.01 0.06 -0.04 1.41 1.43 1owcA1 ALA 271 H -0.03 0.40 -0.11 -0.55 8.40 8.12 1owcA1 ALA 271 HA -0.03 0.04 0.54 -0.75 4.34 4.13 1owcA1 ALA 271 HB3 -0.08 0.03 0.11 -0.04 1.41 1.42 1owcA1 LEU 272 H 0.02 0.49 -0.22 -0.55 8.37 8.12 1owcA1 LEU 272 HA 0.06 0.08 0.47 -0.75 4.35 4.21 1owcA1 LEU 272 HB2 0.05 0.14 0.08 -0.04 1.64 1.88 1owcA1 LEU 272 HB3 0.07 -0.06 -0.01 -0.04 1.64 1.60 1owcA1 LEU 272 HG 0.04 0.04 0.07 -0.04 1.64 1.75 1owcA1 LEU 272 HD13 0.09 -0.02 -0.07 -0.04 0.93 0.89 1owcA1 LEU 272 HD23 0.10 -0.02 -0.14 -0.04 0.89 0.79 1owcA1 LYS 273 H 0.03 0.28 -0.39 -0.55 8.42 7.79 1owcA1 LYS 273 HA 0.04 0.04 0.50 -0.75 4.32 4.15 1owcA1 LYS 273 HB2 0.03 0.19 0.19 -0.04 1.87 2.23 1owcA1 LYS 273 HB3 0.03 -0.04 -0.02 -0.04 1.79 1.72 1owcA1 LYS 273 HG2 0.03 -0.03 0.05 -0.04 1.46 1.46 1owcA1 LYS 273 HG3 0.03 -0.05 0.04 -0.04 1.46 1.44 1owcA1 LYS 273 HD2 0.05 -0.09 0.04 -0.04 1.69 1.65 1owcA1 LYS 273 HD3 0.04 0.45 0.19 -0.04 1.68 2.32 1owcA1 LYS 273 HE2 0.02 -0.00 0.07 -0.04 2.99 3.04 1owcA1 LYS 273 HE3 0.03 -0.06 0.01 -0.04 2.99 2.93 1owcA1 MET 274 H 0.03 0.31 -0.18 -0.55 8.47 8.08 1owcA1 MET 274 HA 0.05 -0.02 0.44 -0.75 4.52 4.24 1owcA1 MET 274 HB2 -0.01 -0.00 0.15 -0.04 2.15 2.25 1owcA1 MET 274 HB3 0.01 0.24 0.24 -0.04 2.03 2.47 1owcA1 MET 274 HG2 0.01 -0.01 -0.16 -0.04 2.63 2.43 1owcA1 MET 274 HG3 -0.04 -0.09 0.05 -0.04 2.56 2.44 1owcA1 MET 274 HE3 -0.03 0.08 0.13 -0.04 2.10 2.23 1owcA1 LEU 275 H 0.07 0.38 -0.27 -0.55 8.37 7.99 1owcA1 LEU 275 HA 0.12 -0.01 0.44 -0.75 4.35 4.15 1owcA1 LEU 275 HB2 0.13 0.01 0.10 -0.04 1.64 1.84 1owcA1 LEU 275 HB3 0.11 0.10 0.10 -0.04 1.64 1.91 1owcA1 LEU 275 HG 0.17 -0.06 0.04 -0.04 1.64 1.75 1owcA1 LEU 275 HD13 0.27 -0.01 0.02 -0.04 0.93 1.17 1owcA1 LEU 275 HD23 0.13 0.01 -0.19 -0.04 0.89 0.79 1owcA1 GLU 276 H 0.06 0.20 -0.37 -0.55 8.60 7.94 1owcA1 GLU 276 HA 0.05 -0.01 0.34 -0.75 4.29 3.92 1owcA1 GLU 276 HB2 0.03 0.14 0.21 -0.04 2.09 2.43 1owcA1 GLU 276 HB3 0.04 0.07 0.28 -0.04 1.99 2.33 1owcA1 GLU 276 HG2 0.01 -0.06 0.02 -0.04 2.34 2.26 1owcA1 GLU 276 HG3 0.01 0.03 -0.16 -0.04 2.34 2.18 1owcA1 GLU 277 H 0.05 0.40 -0.03 -0.55 8.60 8.47 1owcA1 GLU 277 HA 0.03 0.04 0.36 -0.75 4.29 3.97 1owcA1 GLU 277 HB2 0.03 -0.06 0.03 -0.04 2.09 2.04 1owcA1 GLU 277 HB3 0.03 -0.01 0.10 -0.04 1.99 2.07 1owcA1 GLU 277 HG2 0.05 0.41 0.19 -0.04 2.34 2.96 1owcA1 GLU 277 HG3 0.07 -0.21 0.17 -0.04 2.34 2.33 1owcA1 ILE 278 H 0.09 0.29 -0.05 -0.55 8.25 8.03 1owcA1 ILE 278 HA 0.05 -0.14 0.31 -0.75 4.18 3.64 1owcA1 ILE 278 HB 0.18 0.21 0.23 -0.04 1.89 2.47 1owcA1 ILE 278 HG12 0.18 0.17 0.18 -0.04 1.49 1.98 1owcA1 ILE 278 HG13 0.61 -0.05 0.04 -0.04 1.21 1.78 1owcA1 ILE 278 HG23 0.21 -0.08 -0.01 -0.04 0.93 1.01 1owcA1 ILE 278 HD13 -0.13 -0.03 0.01 -0.04 0.88 0.69 1owcA1 SER 279 H 0.05 0.16 0.19 -0.55 8.46 8.32 1owcA1 SER 279 HA 0.07 -0.00 0.74 -0.75 4.49 4.54 1owcA1 SER 279 HB2 0.05 0.31 -0.02 -0.04 3.95 4.25 1owcA1 SER 279 HB3 0.04 0.01 0.26 -0.04 3.93 4.20 1owcA1 SER 280 H 0.07 -0.01 0.05 -0.55 8.46 8.03 1owcA1 SER 280 HA 0.02 0.36 0.97 -0.75 4.49 5.09 1owcA1 SER 280 HB2 0.04 0.08 0.16 -0.04 3.95 4.19 1owcA1 SER 280 HB3 0.05 0.11 0.05 -0.04 3.93 4.09 1owcA1 VAL 281 H 0.03 0.08 -0.03 -0.55 8.24 7.78 1owcA1 VAL 281 HA 0.01 -0.07 0.31 -0.75 4.13 3.63 1owcA1 VAL 281 HB -0.00 0.02 0.15 -0.04 2.12 2.25 1owcA1 VAL 281 HG13 0.02 -0.02 0.02 -0.04 0.97 0.95 1owcA1 VAL 281 HG23 -0.01 0.03 -0.17 -0.04 0.95 0.75 1owcA1 LYS 282 H -0.07 -0.56 -0.13 -0.55 8.42 7.11 1owcA1 LYS 282 HA -0.16 0.18 0.59 -0.75 4.32 4.18 1owcA1 LYS 282 HB2 -0.17 0.17 -0.13 -0.04 1.87 1.70 1owcA1 LYS 282 HB3 -0.37 -0.03 -0.12 -0.04 1.79 1.23 1owcA1 LYS 282 HG2 -0.51 -0.02 -0.02 -0.04 1.46 0.87 1owcA1 LYS 282 HG3 -0.22 0.03 0.10 -0.04 1.46 1.32 1owcA1 LYS 282 HD2 -0.16 0.03 -0.00 -0.04 1.69 1.52 1owcA1 LYS 282 HD3 -0.31 -0.02 -0.05 -0.04 1.68 1.26 1owcA1 LYS 282 HE2 -0.12 -0.00 -0.01 -0.04 2.99 2.82 1owcA1 LYS 282 HE3 -0.25 -0.01 -0.02 -0.04 2.99 2.67 1owcA1 HIS 283 H -0.04 -0.37 0.09 -0.55 8.41 7.54 1owcA1 HIS 283 HA -0.07 0.40 0.86 -0.75 4.63 5.06 1owcA1 HIS 283 HB2 -0.12 -0.12 0.12 -0.04 3.26 3.09 1owcA1 HIS 283 HB3 -0.20 0.04 -0.01 -0.04 3.20 2.99 1owcA1 HIS 283 HD2 -0.44 0.06 -0.02 -0.04 6.97 6.52 1owcA1 HIS 283 HE1 -0.20 0.05 -0.05 -0.04 7.75 7.51 1owcA1 ILE 284 H 0.15 -0.00 0.12 -0.55 8.25 7.97 1owcA1 ILE 284 HA 0.18 -0.02 0.47 -0.75 4.18 4.06 1owcA1 ILE 284 HB 0.11 -0.16 0.17 -0.04 1.89 1.98 1owcA1 ILE 284 HG12 0.18 -0.06 0.10 -0.04 1.49 1.67 1owcA1 ILE 284 HG13 0.17 -0.05 0.09 -0.04 1.21 1.39 1owcA1 ILE 284 HG23 0.12 0.02 -0.13 -0.04 0.93 0.91 1owcA1 ILE 284 HD13 0.14 0.04 0.14 -0.04 0.88 1.16 1owcA1 PRO 285 HA 0.04 0.14 0.41 -0.51 4.44 4.53 1owcA1 PRO 285 HB2 0.00 0.15 -0.15 -0.04 2.28 2.24 1owcA1 PRO 285 HB3 0.03 0.01 -0.05 -0.04 2.02 1.97 1owcA1 PRO 285 HG2 -0.05 0.12 -0.48 -0.04 2.03 1.58 1owcA1 PRO 285 HG3 -0.01 0.09 -0.39 -0.04 2.03 1.68 1owcA1 PRO 285 HD2 0.03 -0.39 -0.00 -0.04 3.68 3.28 1owcA1 PRO 285 HD3 0.05 0.14 0.07 -0.04 3.65 3.87 1owcA1 GLU 286 H -0.07 -0.03 -0.92 -0.55 8.60 7.03 1owcA1 GLU 286 HA -0.15 0.23 0.86 -0.75 4.29 4.47 1owcA1 GLU 286 HB2 -0.27 0.30 -0.01 -0.04 2.09 2.06 1owcA1 GLU 286 HB3 -0.52 0.01 0.14 -0.04 1.99 1.57 1owcA1 GLU 286 HG2 -0.11 0.02 -0.05 -0.04 2.34 2.15 1owcA1 GLU 286 HG3 -0.08 -0.03 -0.49 -0.04 2.34 1.70 1owcA1 PHE 287 H 0.08 0.22 -0.38 -0.55 8.34 7.70 1owcA1 PHE 287 HA 0.06 -0.06 0.22 -0.75 4.62 4.09 1owcA1 PHE 287 HB2 0.03 -0.00 0.08 -0.04 3.15 3.22 1owcA1 PHE 287 HB3 0.02 0.03 -0.02 -0.04 3.06 3.04 1owcA1 PHE 287 HD2 0.04 -0.01 -0.08 -0.04 7.28 7.19 1owcA1 PHE 287 HE2 0.03 -0.02 -0.05 -0.04 7.38 7.30 1owcA1 PHE 287 HZ 0.02 -0.02 -0.04 -0.04 7.32 7.24 1owcA1 PHE 288 H 0.20 0.72 0.01 -0.55 8.34 8.72 1owcA1 PHE 288 HA 0.09 0.21 0.70 -0.75 4.62 4.87 1owcA1 PHE 288 HB2 0.12 0.12 0.08 -0.04 3.15 3.43 1owcA1 PHE 288 HB3 0.13 -0.22 0.04 -0.04 3.06 2.97 1owcA1 PHE 288 HD2 0.05 -0.02 -0.11 -0.04 7.28 7.16 1owcA1 PHE 288 HE2 -0.06 0.03 -0.03 -0.04 7.38 7.28 1owcA1 PHE 288 HZ -0.10 0.02 -0.02 -0.04 7.32 7.17 1owcA1 ARG 289 H 0.27 0.14 -0.06 -0.55 8.46 8.25 1owcA1 ARG 289 HA -0.10 0.13 0.43 -0.75 4.34 4.05 1owcA1 ARG 289 HB2 0.23 -0.13 0.06 -0.04 1.90 2.02 1owcA1 ARG 289 HB3 0.14 0.05 -0.00 -0.04 1.80 1.95 1owcA1 ARG 289 HG2 0.08 0.04 0.02 -0.04 1.67 1.76 1owcA1 ARG 289 HG3 0.15 0.09 -0.08 -0.04 1.67 1.78 1owcA1 ARG 289 HD2 0.16 0.02 0.02 -0.04 3.22 3.38 1owcA1 ARG 289 HD3 0.18 -0.04 0.02 -0.04 3.22 3.33 1owcA1 ARG 290 H 0.11 -0.04 -0.42 -0.55 8.46 7.56 1owcA1 ARG 290 HA 0.15 0.19 0.38 -0.75 4.34 4.31 1owcA1 ARG 290 HB2 0.16 -0.10 -0.11 -0.04 1.90 1.81 1owcA1 ARG 290 HB3 0.13 0.03 -0.07 -0.04 1.80 1.85 1owcA1 ARG 290 HG2 0.06 -0.04 -0.03 -0.04 1.67 1.62 1owcA1 ARG 290 HG3 -0.04 0.01 -0.02 -0.04 1.67 1.58 1owcA1 ARG 290 HD2 0.17 0.01 -0.05 -0.04 3.22 3.31 1owcA1 ARG 290 HD3 0.15 0.05 -0.14 -0.04 3.22 3.24 1owcA1 ALA 291 H 0.02 0.08 -0.80 -0.55 8.40 7.15 1owcA1 ALA 291 HA 0.03 0.00 0.33 -0.75 4.34 3.95 1owcA1 ALA 291 HB3 -0.04 0.09 0.17 -0.04 1.41 1.58 1owcA1 LYS 292 H -0.09 0.28 -0.54 -0.55 8.42 7.51 1owcA1 LYS 292 HA -0.06 0.05 0.94 -0.75 4.32 4.49 1owcA1 LYS 292 HB2 -0.13 -0.01 -0.00 -0.04 1.87 1.68 1owcA1 LYS 292 HB3 -0.11 0.10 0.15 -0.04 1.79 1.89 1owcA1 LYS 292 HG2 -0.07 -0.01 0.00 -0.04 1.46 1.34 1owcA1 LYS 292 HG3 -0.07 0.02 -0.13 -0.04 1.46 1.24 1owcA1 LYS 292 HD2 -0.05 -0.10 0.03 -0.04 1.69 1.53 1owcA1 LYS 292 HD3 -0.06 -0.00 0.12 -0.04 1.68 1.70 1owcA1 LYS 292 HE2 -0.05 -0.01 -0.00 -0.04 2.99 2.89 1owcA1 LYS 292 HE3 -0.04 -0.02 0.01 -0.04 2.99 2.91 1owcA1 ASP 293 H -0.05 0.13 0.05 -0.55 8.40 7.98 1owcA1 ASP 293 HA 0.00 0.28 0.55 -0.75 4.63 4.70 1owcA1 ASP 293 HB2 0.04 -0.06 0.07 -0.04 2.71 2.71 1owcA1 ASP 293 HB3 0.19 0.12 -0.11 -0.04 2.70 2.86 1owcA1 LYS 294 H -0.04 0.05 0.05 -0.55 8.42 7.93 1owcA1 LYS 294 HA -0.01 0.09 0.45 -0.75 4.32 4.10 1owcA1 LYS 294 HB2 -0.03 -0.06 0.15 -0.04 1.87 1.89 1owcA1 LYS 294 HB3 -0.02 0.01 -0.01 -0.04 1.79 1.74 1owcA1 LYS 294 HG2 -0.02 0.01 0.05 -0.04 1.46 1.46 1owcA1 LYS 294 HG3 -0.02 0.03 0.05 -0.04 1.46 1.49 1owcA1 LYS 294 HD2 -0.05 -0.07 0.03 -0.04 1.69 1.55 1owcA1 LYS 294 HD3 -0.04 -0.01 0.13 -0.04 1.68 1.71 1owcA1 LYS 294 HE2 -0.04 0.12 0.07 -0.04 2.99 3.10 1owcA1 LYS 294 HE3 -0.03 -0.01 0.04 -0.04 2.99 2.95 1owcA1 ASN 295 H -0.04 0.11 -0.08 -0.55 8.53 7.97 1owcA1 ASN 295 HA -0.02 0.07 0.59 -0.75 4.76 4.66 1owcA1 ASN 295 HB2 -0.07 0.08 0.03 -0.04 2.88 2.88 1owcA1 ASN 295 HB3 -0.04 -0.06 0.03 -0.04 2.79 2.67 1owcA1 ASN 295 HD21 -0.03 0.02 -0.00 -0.04 7.03 6.98 1owcA1 ASN 295 HD22 -0.04 0.03 0.02 -0.04 7.74 7.71 1owcA1 ASP 296 H 0.00 0.10 0.03 -0.55 8.40 7.99 1owcA1 ASP 296 HA -0.20 0.24 0.24 -0.75 4.63 4.15 1owcA1 ASP 296 HB2 0.60 0.04 0.04 -0.04 2.71 3.35 1owcA1 ASP 296 HB3 0.19 0.14 0.08 -0.04 2.70 3.06 1owcA1 SER 297 H -0.06 0.06 0.01 -0.55 8.46 7.93 1owcA1 SER 297 HA -0.04 -0.06 0.20 -0.75 4.49 3.83 1owcA1 SER 297 HB2 -0.08 -0.14 -0.45 -0.04 3.95 3.24 1owcA1 SER 297 HB3 -0.18 0.34 -0.19 -0.04 3.93 3.86 1owcA1 PHE 298 H 0.11 0.01 -0.25 -0.55 8.34 7.65 1owcA1 PHE 298 HA 0.20 0.20 0.30 -0.75 4.62 4.56 1owcA1 PHE 298 HB2 0.03 -0.10 0.00 -0.04 3.15 3.05 1owcA1 PHE 298 HB3 0.16 0.22 -0.07 -0.04 3.06 3.32 1owcA1 PHE 298 HD2 0.19 -0.10 -0.05 -0.04 7.28 7.28 1owcA1 PHE 298 HE2 0.05 0.01 -0.05 -0.04 7.38 7.36 1owcA1 PHE 298 HZ -0.02 0.04 -0.01 -0.04 7.32 7.28 1owcA1 ARG 299 H 0.12 -0.03 0.00 -0.55 8.46 8.01 1owcA1 ARG 299 HA 0.09 0.39 0.35 -0.75 4.34 4.42 1owcA1 ARG 299 HB2 -0.04 0.05 0.07 -0.04 1.90 1.94 1owcA1 ARG 299 HB3 0.01 -0.11 0.07 -0.04 1.80 1.73 1owcA1 ARG 299 HG2 0.02 -0.00 -0.22 -0.04 1.67 1.43 1owcA1 ARG 299 HG3 -0.01 0.05 0.06 -0.04 1.67 1.72 1owcA1 ARG 299 HD2 -0.72 -0.11 0.08 -0.04 3.22 2.44 1owcA1 ARG 299 HD3 -0.18 -0.01 0.02 -0.04 3.22 3.01 1owcA1 LEU 300 H 0.09 0.04 -0.41 -0.55 8.37 7.54 1owcA1 LEU 300 HA 0.13 0.06 0.32 -0.75 4.35 4.12 1owcA1 LEU 300 HB2 0.06 -0.02 -0.05 -0.04 1.64 1.59 1owcA1 LEU 300 HB3 0.10 0.10 -0.13 -0.04 1.64 1.67 1owcA1 LEU 300 HG 0.14 0.03 -0.04 -0.04 1.64 1.72 1owcA1 LEU 300 HD13 0.07 -0.02 -0.13 -0.04 0.93 0.81 1owcA1 LEU 300 HD23 0.05 -0.02 -0.29 -0.04 0.89 0.59 1owcA1 MET 301 H 0.17 0.23 -0.29 -0.55 8.47 8.03 1owcA1 MET 301 HA 0.16 0.12 0.61 -0.75 4.52 4.65 1owcA1 MET 301 HB2 0.47 0.04 0.05 -0.04 2.15 2.67 1owcA1 MET 301 HB3 0.37 -0.02 0.11 -0.04 2.03 2.45 1owcA1 MET 301 HG2 0.12 -0.06 -0.06 -0.04 2.63 2.59 1owcA1 MET 301 HG3 0.08 0.24 0.07 -0.04 2.56 2.91 1owcA1 MET 301 HE3 -0.36 0.02 -0.11 -0.04 2.10 1.61 1owcA1 GLY 302 H 0.09 0.25 -0.66 -0.55 8.43 7.56 1owcA1 GLY 302 HA2 0.00 -0.13 0.12 -0.51 4.01 3.50 1owcA1 GLY 302 HA3 -0.14 0.09 0.56 -0.51 4.01 4.01 1owcA1 PHE 303 H 0.18 0.81 0.03 -0.55 8.34 8.81 1owcA1 PHE 303 HA 0.01 0.33 0.87 -0.75 4.62 5.07 1owcA1 PHE 303 HB2 0.29 -0.12 -0.03 -0.04 3.15 3.25 1owcA1 PHE 303 HB3 0.00 0.15 -0.13 -0.04 3.06 3.03 1owcA1 PHE 303 HD2 0.25 0.05 -0.21 -0.04 7.28 7.33 1owcA1 PHE 303 HE2 -0.05 -0.02 -0.12 -0.04 7.38 7.14 1owcA1 PHE 303 HZ 0.26 -0.08 -0.12 -0.04 7.32 7.34 1owcA1 GLY 304 H -0.33 0.81 -0.03 -0.55 8.43 8.33 1owcA1 GLY 304 HA2 -1.05 0.14 0.39 -0.51 4.01 2.97 1owcA1 GLY 304 HA3 -0.23 0.06 0.30 -0.51 4.01 3.64 1owcA1 HIS 305 H -0.02 0.47 0.12 -0.55 8.41 8.43 1owcA1 HIS 305 HA 0.07 0.02 0.55 -0.75 4.63 4.51 1owcA1 HIS 305 HB2 0.21 0.10 -0.29 -0.04 3.26 3.25 1owcA1 HIS 305 HB3 0.37 -0.02 -0.02 -0.04 3.20 3.49 1owcA1 HIS 305 HD2 0.16 0.03 0.01 -0.04 6.97 7.12 1owcA1 HIS 305 HE1 0.06 0.04 0.03 -0.04 7.75 7.83 1owcA1 ARG 306 H -0.08 0.11 0.13 -0.55 8.46 8.06 1owcA1 ARG 306 HA 0.06 0.20 0.38 -0.75 4.34 4.23 1owcA1 ARG 306 HB2 0.00 0.06 0.08 -0.04 1.90 2.00 1owcA1 ARG 306 HB3 -0.02 -0.00 0.11 -0.04 1.80 1.85 1owcA1 ARG 306 HG2 -0.03 0.01 0.04 -0.04 1.67 1.64 1owcA1 ARG 306 HG3 0.01 -0.15 0.08 -0.04 1.67 1.57 1owcA1 ARG 306 HD2 -0.00 0.06 -0.48 -0.04 3.22 2.76 1owcA1 ARG 306 HD3 -0.01 0.04 -0.08 -0.04 3.22 3.13 1owcA1 VAL 307 H 0.61 -0.04 -0.23 -0.55 8.24 8.03 1owcA1 VAL 307 HA -0.17 0.10 0.44 -0.75 4.13 3.75 1owcA1 VAL 307 HB -0.57 -0.05 0.04 -0.04 2.12 1.51 1owcA1 VAL 307 HG13 -1.16 0.00 -0.15 -0.04 0.97 -0.38 1owcA1 VAL 307 HG23 -0.11 -0.00 -0.00 -0.04 0.95 0.79 1owcA1 TYR 308 H 0.11 0.09 -0.18 -0.55 8.29 7.76 1owcA1 TYR 308 HA -0.10 0.28 1.05 -0.75 4.56 5.03 1owcA1 TYR 308 HB2 -0.02 -0.10 -0.07 -0.04 3.06 2.82 1owcA1 TYR 308 HB3 -0.29 0.21 0.16 -0.04 2.98 3.02 1owcA1 TYR 308 HD2 -0.18 0.04 0.05 -0.04 7.15 7.02 1owcA1 TYR 308 HE2 -0.04 0.02 -0.14 -0.04 6.85 6.65 1owcA1 LYS 309 H -0.01 0.39 0.25 -0.55 8.42 8.50 1owcA1 LYS 309 HA 0.09 0.17 0.45 -0.75 4.32 4.28 1owcA1 LYS 309 HB2 -0.00 -0.08 0.11 -0.04 1.87 1.86 1owcA1 LYS 309 HB3 -0.03 0.03 0.28 -0.04 1.79 2.02 1owcA1 LYS 309 HG2 0.03 0.05 -0.17 -0.04 1.46 1.33 1owcA1 LYS 309 HG3 0.03 0.03 0.04 -0.04 1.46 1.51 1owcA1 LYS 309 HD2 0.00 -0.08 0.04 -0.04 1.69 1.62 1owcA1 LYS 309 HD3 0.00 0.01 0.04 -0.04 1.68 1.69 1owcA1 LYS 309 HE2 0.01 0.01 0.01 -0.04 2.99 2.98 1owcA1 LYS 309 HE3 0.01 -0.04 0.01 -0.04 2.99 2.93 1owcA1 ASN 310 H -0.20 0.05 0.16 -0.55 8.53 7.99 1owcA1 ASN 310 HA 0.02 0.31 1.00 -0.75 4.76 5.33 1owcA1 ASN 310 HB2 0.07 -0.02 0.08 -0.04 2.88 2.97 1owcA1 ASN 310 HB3 0.14 0.01 0.06 -0.04 2.79 2.96 1owcA1 ASN 310 HD21 0.03 -0.01 -0.00 -0.04 7.03 7.01 1owcA1 ASN 310 HD22 0.05 0.02 0.04 -0.04 7.74 7.81 1owcA1 TYR 311 H -0.62 0.14 0.05 -0.55 8.29 7.31 1owcA1 TYR 311 HA -1.18 0.15 0.37 -0.75 4.56 3.14 1owcA1 TYR 311 HB2 -0.23 -0.05 -0.03 -0.04 3.06 2.71 1owcA1 TYR 311 HB3 -0.25 0.23 -0.08 -0.04 2.98 2.84 1owcA1 TYR 311 HD2 -0.18 -0.02 -0.42 -0.04 7.15 6.49 1owcA1 TYR 311 HE2 -0.10 0.03 -0.04 -0.04 6.85 6.70 1owcA1 ASP 312 H -0.07 0.29 0.08 -0.55 8.40 8.16 1owcA1 ASP 312 HA -0.58 0.20 0.75 -0.75 4.63 4.25 1owcA1 ASP 312 HB2 0.28 0.14 0.04 -0.04 2.71 3.12 1owcA1 ASP 312 HB3 0.12 -0.00 0.26 -0.04 2.70 3.03 1owcA1 PRO 313 HA -0.01 0.10 0.43 -0.51 4.44 4.45 1owcA1 PRO 313 HB2 -0.12 -0.07 0.07 -0.04 2.28 2.12 1owcA1 PRO 313 HB3 -0.09 0.27 0.18 -0.04 2.02 2.33 1owcA1 PRO 313 HG2 -0.45 -0.03 -0.02 -0.04 2.03 1.48 1owcA1 PRO 313 HG3 -0.46 0.09 -0.21 -0.04 2.03 1.41 1owcA1 PRO 313 HD2 -2.00 0.05 0.24 -0.04 3.68 1.93 1owcA1 PRO 313 HD3 -0.90 0.28 0.12 -0.04 3.65 3.11 1owcA1 ARG 314 H -0.20 0.06 -0.51 -0.55 8.46 7.26 1owcA1 ARG 314 HA -0.08 0.13 0.53 -0.75 4.34 4.16 1owcA1 ARG 314 HB2 -0.15 -0.09 0.04 -0.04 1.90 1.65 1owcA1 ARG 314 HB3 -0.15 0.11 0.11 -0.04 1.80 1.83 1owcA1 ARG 314 HG2 -0.11 0.03 -0.00 -0.04 1.67 1.55 1owcA1 ARG 314 HG3 -0.15 -0.11 -0.03 -0.04 1.67 1.34 1owcA1 ARG 314 HD2 -0.33 0.42 0.10 -0.04 3.22 3.36 1owcA1 ARG 314 HD3 -0.31 0.01 -0.00 -0.04 3.22 2.88 1owcA1 ALA 315 H -0.04 0.52 -0.17 -0.55 8.40 8.17 1owcA1 ALA 315 HA 0.01 0.07 0.47 -0.75 4.34 4.14 1owcA1 ALA 315 HB3 0.12 0.01 -0.08 -0.04 1.41 1.42 1owcA1 THR 316 H -0.08 0.23 -0.34 -0.55 8.28 7.54 1owcA1 THR 316 HA -0.14 0.10 0.32 -0.75 4.39 3.92 1owcA1 THR 316 HB -0.07 -0.05 0.14 -0.04 4.32 4.30 1owcA1 THR 316 HG23 -0.08 0.01 -0.10 -0.04 1.22 1.01 1owcA1 VAL 317 H -0.06 0.18 -0.08 -0.55 8.24 7.72 1owcA1 VAL 317 HA -0.04 0.08 0.35 -0.75 4.13 3.76 1owcA1 VAL 317 HB -0.03 0.04 0.03 -0.04 2.12 2.12 1owcA1 VAL 317 HG13 -0.00 0.02 -0.18 -0.04 0.97 0.76 1owcA1 VAL 317 HG23 -0.03 0.01 0.01 -0.04 0.95 0.90 1owcA1 MET 318 H -0.06 0.18 -0.44 -0.55 8.47 7.60 1owcA1 MET 318 HA 0.01 0.10 0.41 -0.75 4.52 4.29 1owcA1 MET 318 HB2 0.02 0.12 0.08 -0.04 2.15 2.33 1owcA1 MET 318 HB3 0.04 -0.00 0.06 -0.04 2.03 2.08 1owcA1 MET 318 HG2 0.17 0.01 -0.09 -0.04 2.63 2.68 1owcA1 MET 318 HG3 0.12 -0.03 -0.15 -0.04 2.56 2.45 1owcA1 MET 318 HE3 0.05 0.00 -0.12 -0.04 2.10 2.00 1owcA1 ARG 319 H -0.30 0.72 -0.08 -0.55 8.46 8.25 1owcA1 ARG 319 HA -0.25 0.00 0.48 -0.75 4.34 3.82 1owcA1 ARG 319 HB2 -1.28 0.02 0.12 -0.04 1.90 0.72 1owcA1 ARG 319 HB3 -0.36 0.11 0.16 -0.04 1.80 1.68 1owcA1 ARG 319 HG2 -0.11 -0.03 -0.21 -0.04 1.67 1.28 1owcA1 ARG 319 HG3 -0.09 -0.03 0.03 -0.04 1.67 1.53 1owcA1 ARG 319 HD2 -0.23 0.01 -0.02 -0.04 3.22 2.94 1owcA1 ARG 319 HD3 -0.13 0.00 -0.04 -0.04 3.22 3.01 1owcA1 GLU 320 H -0.10 0.45 -0.14 -0.55 8.60 8.26 1owcA1 GLU 320 HA 0.01 0.03 0.38 -0.75 4.29 3.96 1owcA1 GLU 320 HB2 -0.03 0.09 0.09 -0.04 2.09 2.21 1owcA1 GLU 320 HB3 -0.00 -0.02 0.02 -0.04 1.99 1.95 1owcA1 GLU 320 HG2 -0.05 -0.03 0.01 -0.04 2.34 2.23 1owcA1 GLU 320 HG3 -0.08 0.20 0.06 -0.04 2.34 2.49 1owcA1 THR 321 H 0.00 0.33 -0.40 -0.55 8.28 7.66 1owcA1 THR 321 HA 0.03 0.03 0.47 -0.75 4.39 4.17 1owcA1 THR 321 HB 0.04 0.12 0.16 -0.04 4.32 4.59 1owcA1 THR 321 HG23 0.04 -0.01 -0.05 -0.04 1.22 1.16 1owcA1 CYS 322 H 0.06 0.64 -0.06 -0.55 8.50 8.60 1owcA1 CYS 322 HA 0.07 -0.02 0.41 -0.75 4.58 4.28 1owcA1 CYS 322 HB2 0.16 0.06 0.15 -0.04 2.97 3.30 1owcA1 CYS 322 HB3 0.18 0.12 0.28 -0.04 2.97 3.51 1owcA1 HIS 323 H 0.17 0.57 -0.14 -0.55 8.41 8.46 1owcA1 HIS 323 HA 0.05 0.01 0.33 -0.75 4.63 4.27 1owcA1 HIS 323 HB2 0.04 0.04 0.09 -0.04 3.26 3.39 1owcA1 HIS 323 HB3 0.02 0.08 0.07 -0.04 3.20 3.32 1owcA1 HIS 323 HD2 0.01 0.01 -0.06 -0.04 6.97 6.88 1owcA1 HIS 323 HE1 0.03 -0.00 -0.00 -0.04 7.75 7.72 1owcA1 GLU 324 H 0.06 0.30 -0.39 -0.55 8.60 8.03 1owcA1 GLU 324 HA -0.09 0.00 0.43 -0.75 4.29 3.88 1owcA1 GLU 324 HB2 0.02 0.07 0.15 -0.04 2.09 2.29 1owcA1 GLU 324 HB3 0.02 0.19 0.21 -0.04 1.99 2.37 1owcA1 GLU 324 HG2 -0.01 -0.05 -0.19 -0.04 2.34 2.05 1owcA1 GLU 324 HG3 -0.01 -0.04 0.03 -0.04 2.34 2.28 1owcA1 VAL 325 H 0.01 0.64 0.01 -0.55 8.24 8.36 1owcA1 VAL 325 HA -0.00 -0.07 0.36 -0.75 4.13 3.66 1owcA1 VAL 325 HB 0.02 0.09 0.13 -0.04 2.12 2.33 1owcA1 VAL 325 HG13 0.01 0.00 -0.18 -0.04 0.97 0.76 1owcA1 VAL 325 HG23 0.02 -0.00 -0.03 -0.04 0.95 0.90 1owcA1 LEU 326 H -0.00 0.54 -0.17 -0.55 8.37 8.19 1owcA1 LEU 326 HA -0.01 0.01 0.37 -0.75 4.35 3.97 1owcA1 LEU 326 HB2 0.00 0.16 0.14 -0.04 1.64 1.90 1owcA1 LEU 326 HB3 -0.01 0.01 -0.01 -0.04 1.64 1.59 1owcA1 LEU 326 HG 0.02 -0.02 0.06 -0.04 1.64 1.66 1owcA1 LEU 326 HD13 0.02 0.00 -0.02 -0.04 0.93 0.89 1owcA1 LEU 326 HD23 0.08 -0.02 -0.05 -0.04 0.89 0.86 1owcA1 LYS 327 H -0.10 0.33 -0.27 -0.55 8.42 7.83 1owcA1 LYS 327 HA -0.06 0.02 0.36 -0.75 4.32 3.88 1owcA1 LYS 327 HB2 -0.09 0.14 0.23 -0.04 1.87 2.11 1owcA1 LYS 327 HB3 -0.07 -0.08 0.02 -0.04 1.79 1.61 1owcA1 LYS 327 HG2 -0.17 -0.06 0.05 -0.04 1.46 1.23 1owcA1 LYS 327 HG3 -0.33 0.35 0.16 -0.04 1.46 1.61 1owcA1 LYS 327 HD2 -0.17 -0.02 0.02 -0.04 1.69 1.47 1owcA1 LYS 327 HD3 -0.10 -0.05 0.01 -0.04 1.68 1.50 1owcA1 LYS 327 HE2 -0.16 -0.03 -0.01 -0.04 2.99 2.75 1owcA1 LYS 327 HE3 -0.92 0.03 -0.06 -0.04 2.99 2.00 1owcA1 GLU 328 H -0.04 0.52 0.01 -0.55 8.60 8.54 1owcA1 GLU 328 HA -0.03 -0.06 0.38 -0.75 4.29 3.83 1owcA1 GLU 328 HB2 -0.02 -0.05 0.12 -0.04 2.09 2.10 1owcA1 GLU 328 HB3 -0.02 0.19 0.15 -0.04 1.99 2.27 1owcA1 GLU 328 HG2 -0.01 -0.18 -0.01 -0.04 2.34 2.10 1owcA1 GLU 328 HG3 -0.02 0.08 -0.22 -0.04 2.34 2.14 1owcA1 LEU 329 H -0.02 0.47 -0.44 -0.55 8.37 7.83 1owcA1 LEU 329 HA -0.03 0.03 0.55 -0.75 4.35 4.15 1owcA1 LEU 329 HB2 -0.02 0.09 0.13 -0.04 1.64 1.80 1owcA1 LEU 329 HB3 -0.02 -0.05 0.18 -0.04 1.64 1.70 1owcA1 LEU 329 HG -0.02 0.08 -0.02 -0.04 1.64 1.64 1owcA1 LEU 329 HD13 -0.02 0.01 -0.10 -0.04 0.93 0.78 1owcA1 LEU 329 HD23 -0.03 -0.02 -0.08 -0.04 0.89 0.72 1owcA1 GLY 330 H -0.02 0.30 -0.72 -0.55 8.43 7.44 1owcA1 GLY 330 HA2 -0.02 0.05 0.30 -0.51 4.01 3.83 1owcA1 GLY 330 HA3 -0.02 -0.09 0.35 -0.51 4.01 3.74 1owcA1 THR 331 H -0.01 0.12 0.11 -0.55 8.28 7.95 1owcA1 THR 331 HA -0.00 0.11 0.67 -0.75 4.39 4.42 1owcA1 THR 331 HB -0.01 0.01 0.25 -0.04 4.32 4.54 1owcA1 THR 331 HG23 -0.00 -0.00 0.01 -0.04 1.22 1.19 1owcA1 LYS 332 H -0.01 0.09 -0.02 -0.55 8.42 7.93 1owcA1 LYS 332 HA -0.00 0.09 0.70 -0.75 4.32 4.35 1owcA1 LYS 332 HB2 -0.01 0.07 -0.18 -0.04 1.87 1.71 1owcA1 LYS 332 HB3 -0.01 0.08 -0.02 -0.04 1.79 1.81 1owcA1 LYS 332 HG2 -0.01 0.04 0.03 -0.04 1.46 1.47 1owcA1 LYS 332 HG3 -0.01 -0.07 0.12 -0.04 1.46 1.46 1owcA1 LYS 332 HD2 -0.01 -0.04 0.06 -0.04 1.69 1.66 1owcA1 LYS 332 HD3 -0.01 0.07 0.20 -0.04 1.68 1.90 1owcA1 LYS 332 HE2 -0.01 -0.01 -0.19 -0.04 2.99 2.73 1owcA1 LYS 332 HE3 -0.02 0.00 -0.03 -0.04 2.99 2.91 1owcA1 ASP 333 H -0.00 0.17 0.11 -0.55 8.40 8.13 1owcA1 ASP 333 HA 0.01 0.09 0.66 -0.75 4.63 4.64 1owcA1 ASP 333 HB2 0.00 0.06 0.24 -0.04 2.71 2.98 1owcA1 ASP 333 HB3 0.01 -0.06 0.17 -0.04 2.70 2.78 1owcA1 ASP 334 H 0.01 0.37 -0.33 -0.55 8.40 7.90 1owcA1 ASP 334 HA 0.01 0.22 0.74 -0.75 4.63 4.85 1owcA1 ASP 334 HB2 0.01 0.01 0.03 -0.04 2.71 2.72 1owcA1 ASP 334 HB3 0.01 0.01 -0.03 -0.04 2.70 2.65 1owcA1 LEU 335 H 0.01 0.21 0.11 -0.55 8.37 8.16 1owcA1 LEU 335 HA 0.02 0.09 0.40 -0.75 4.35 4.10 1owcA1 LEU 335 HB2 0.02 0.03 0.16 -0.04 1.64 1.81 1owcA1 LEU 335 HB3 0.01 0.04 0.14 -0.04 1.64 1.79 1owcA1 LEU 335 HG 0.02 -0.01 -0.10 -0.04 1.64 1.51 1owcA1 LEU 335 HD13 0.02 0.04 0.08 -0.04 0.93 1.03 1owcA1 LEU 335 HD23 0.01 -0.04 0.15 -0.04 0.89 0.98 1owcA1 LEU 336 H 0.03 0.11 -0.93 -0.55 8.37 7.02 1owcA1 LEU 336 HA 0.04 0.04 0.71 -0.75 4.35 4.38 1owcA1 LEU 336 HB2 0.03 0.03 -0.02 -0.04 1.64 1.64 1owcA1 LEU 336 HB3 0.04 0.01 0.17 -0.04 1.64 1.82 1owcA1 LEU 336 HG 0.03 -0.06 0.03 -0.04 1.64 1.59 1owcA1 LEU 336 HD13 0.03 0.03 -0.15 -0.04 0.93 0.80 1owcA1 LEU 336 HD23 0.02 0.03 -0.01 -0.04 0.89 0.89 1owcA1 GLU 337 H 0.04 0.42 -0.45 -0.55 8.60 8.07 1owcA1 GLU 337 HA 0.05 0.18 0.69 -0.75 4.29 4.47 1owcA1 GLU 337 HB2 0.03 0.06 0.03 -0.04 2.09 2.17 1owcA1 GLU 337 HB3 0.03 -0.04 -0.02 -0.04 1.99 1.92 1owcA1 GLU 337 HG2 0.03 0.15 -0.02 -0.04 2.34 2.47 1owcA1 GLU 337 HG3 0.02 0.02 0.01 -0.04 2.34 2.36 1owcA1 VAL 338 H 0.06 0.23 0.17 -0.55 8.24 8.15 1owcA1 VAL 338 HA 0.08 0.06 0.51 -0.75 4.13 4.03 1owcA1 VAL 338 HB 0.10 0.00 0.09 -0.04 2.12 2.28 1owcA1 VAL 338 HG13 0.06 0.03 0.15 -0.04 0.97 1.17 1owcA1 VAL 338 HG23 0.08 0.05 -0.03 -0.04 0.95 1.01 1owcA1 ALA 339 H 0.09 0.08 -0.36 -0.55 8.40 7.66 1owcA1 ALA 339 HA 0.18 0.14 0.41 -0.75 4.34 4.31 1owcA1 ALA 339 HB3 0.06 0.06 -0.02 -0.04 1.41 1.47 1owcA1 MET 340 H 0.11 0.11 -0.39 -0.55 8.47 7.76 1owcA1 MET 340 HA 0.15 0.09 0.40 -0.75 4.52 4.41 1owcA1 MET 340 HB2 0.08 0.10 0.11 -0.04 2.15 2.40 1owcA1 MET 340 HB3 0.08 0.01 -0.01 -0.04 2.03 2.07 1owcA1 MET 340 HG2 0.12 -0.01 0.01 -0.04 2.63 2.70 1owcA1 MET 340 HG3 0.09 0.12 0.11 -0.04 2.56 2.84 1owcA1 MET 340 HE3 0.06 0.01 0.05 -0.04 2.10 2.17 1owcA1 GLU 341 H 0.10 0.41 -0.23 -0.55 8.60 8.33 1owcA1 GLU 341 HA 0.05 0.08 0.48 -0.75 4.29 4.14 1owcA1 GLU 341 HB2 0.05 0.14 0.13 -0.04 2.09 2.37 1owcA1 GLU 341 HB3 0.07 -0.09 0.12 -0.04 1.99 2.05 1owcA1 GLU 341 HG2 0.03 -0.10 0.07 -0.04 2.34 2.31 1owcA1 GLU 341 HG3 0.04 0.01 -0.09 -0.04 2.34 2.25 1owcA1 LEU 342 H 0.16 0.85 -0.03 -0.55 8.37 8.80 1owcA1 LEU 342 HA 0.04 0.01 0.38 -0.75 4.35 4.03 1owcA1 LEU 342 HB2 0.43 0.09 0.14 -0.04 1.64 2.25 1owcA1 LEU 342 HB3 0.47 0.01 -0.04 -0.04 1.64 2.04 1owcA1 LEU 342 HG 0.19 -0.04 0.04 -0.04 1.64 1.79 1owcA1 LEU 342 HD13 0.35 0.01 -0.03 -0.04 0.93 1.22 1owcA1 LEU 342 HD23 0.13 -0.01 -0.01 -0.04 0.89 0.96 1owcA1 GLU 343 H 0.18 0.36 -0.47 -0.55 8.60 8.12 1owcA1 GLU 343 HA -0.20 0.03 0.37 -0.75 4.29 3.74 1owcA1 GLU 343 HB2 0.12 0.09 0.11 -0.04 2.09 2.37 1owcA1 GLU 343 HB3 0.10 0.17 0.08 -0.04 1.99 2.30 1owcA1 GLU 343 HG2 0.02 -0.03 -0.07 -0.04 2.34 2.22 1owcA1 GLU 343 HG3 -0.06 -0.04 0.05 -0.04 2.34 2.25 1owcA1 ASN 344 H 0.03 0.35 -0.25 -0.55 8.53 8.11 1owcA1 ASN 344 HA -0.01 0.01 0.44 -0.75 4.76 4.45 1owcA1 ASN 344 HB2 0.02 0.07 0.15 -0.04 2.88 3.08 1owcA1 ASN 344 HB3 0.01 0.11 0.16 -0.04 2.79 3.02 1owcA1 ASN 344 HD21 0.01 -0.02 -0.01 -0.04 7.03 6.97 1owcA1 ASN 344 HD22 0.02 0.01 0.01 -0.04 7.74 7.73 1owcA1 ILE 345 H -0.08 0.57 -0.14 -0.55 8.25 8.04 1owcA1 ILE 345 HA -0.16 -0.02 0.43 -0.75 4.18 3.67 1owcA1 ILE 345 HB -0.29 0.16 0.11 -0.04 1.89 1.83 1owcA1 ILE 345 HG12 -0.04 -0.05 0.00 -0.04 1.49 1.37 1owcA1 ILE 345 HG13 -0.04 0.28 0.02 -0.04 1.21 1.43 1owcA1 ILE 345 HG23 -0.43 -0.03 0.00 -0.04 0.93 0.43 1owcA1 ILE 345 HD13 0.00 -0.05 -0.03 -0.04 0.88 0.76 1owcA1 ALA 346 H -0.21 0.39 -0.36 -0.55 8.40 7.67 1owcA1 ALA 346 HA -0.53 0.03 0.59 -0.75 4.34 3.68 1owcA1 ALA 346 HB3 -0.04 0.05 0.08 -0.04 1.41 1.46 1owcA1 LEU 347 H -0.06 0.40 -0.09 -0.55 8.37 8.09 1owcA1 LEU 347 HA 0.04 0.10 0.55 -0.75 4.35 4.29 1owcA1 LEU 347 HB2 0.00 0.04 0.08 -0.04 1.64 1.72 1owcA1 LEU 347 HB3 0.02 -0.06 0.09 -0.04 1.64 1.65 1owcA1 LEU 347 HG 0.02 0.20 0.08 -0.04 1.64 1.89 1owcA1 LEU 347 HD13 0.03 -0.03 -0.04 -0.04 0.93 0.85 1owcA1 LEU 347 HD23 0.06 -0.02 -0.01 -0.04 0.89 0.89 1owcA1 ASN 348 H -0.06 0.17 -0.28 -0.55 8.53 7.81 1owcA1 ASN 348 HA 0.01 0.23 1.00 -0.75 4.76 5.24 1owcA1 ASN 348 HB2 -0.02 0.12 0.03 -0.04 2.88 2.96 1owcA1 ASN 348 HB3 -0.00 -0.08 0.03 -0.04 2.79 2.70 1owcA1 ASN 348 HD21 0.00 -0.06 -0.05 -0.04 7.03 6.88 1owcA1 ASN 348 HD22 -0.01 0.04 -0.01 -0.04 7.74 7.72 1owcA1 ASP 349 H -0.08 0.32 -0.04 -0.55 8.40 8.05 1owcA1 ASP 349 HA 0.02 0.11 0.53 -0.75 4.63 4.53 1owcA1 ASP 349 HB2 -0.16 0.15 0.23 -0.04 2.71 2.89 1owcA1 ASP 349 HB3 0.10 -0.06 0.20 -0.04 2.70 2.89 1owcA1 PRO 350 HA 0.04 0.12 0.37 -0.51 4.44 4.46 1owcA1 PRO 350 HB2 0.07 -0.02 0.06 -0.04 2.28 2.35 1owcA1 PRO 350 HB3 0.03 0.05 0.08 -0.04 2.02 2.14 1owcA1 PRO 350 HG2 0.02 0.03 0.10 -0.04 2.03 2.14 1owcA1 PRO 350 HG3 0.02 0.11 0.12 -0.04 2.03 2.25 1owcA1 PRO 350 HD2 0.06 0.03 0.23 -0.04 3.68 3.96 1owcA1 PRO 350 HD3 0.03 0.25 0.32 -0.04 3.65 4.20 1owcA1 TYR 351 H 0.23 0.14 -0.19 -0.55 8.29 7.91 1owcA1 TYR 351 HA -0.02 0.08 0.41 -0.75 4.56 4.27 1owcA1 TYR 351 HB2 0.01 0.01 0.06 -0.04 3.06 3.11 1owcA1 TYR 351 HB3 0.12 -0.01 0.04 -0.04 2.98 3.10 1owcA1 TYR 351 HD2 -0.40 -0.00 -0.12 -0.04 7.15 6.58 1owcA1 TYR 351 HE2 -0.34 0.01 -0.06 -0.04 6.85 6.42 1owcA1 PHE 352 H 0.49 0.12 -0.23 -0.55 8.34 8.17 1owcA1 PHE 352 HA -0.21 0.00 0.41 -0.75 4.62 4.07 1owcA1 PHE 352 HB2 -0.06 0.10 0.12 -0.04 3.15 3.27 1owcA1 PHE 352 HB3 -0.11 0.16 0.03 -0.04 3.06 3.09 1owcA1 PHE 352 HD2 -0.13 0.02 0.04 -0.04 7.28 7.17 1owcA1 PHE 352 HE2 -0.48 -0.00 -0.06 -0.04 7.38 6.80 1owcA1 PHE 352 HZ -0.14 0.02 -0.07 -0.04 7.32 7.09 1owcA1 ILE 353 H 0.10 0.57 -0.24 -0.55 8.25 8.14 1owcA1 ILE 353 HA 0.06 0.07 0.39 -0.75 4.18 3.95 1owcA1 ILE 353 HB 0.03 -0.00 0.02 -0.04 1.89 1.90 1owcA1 ILE 353 HG12 0.05 0.05 -0.19 -0.04 1.49 1.35 1owcA1 ILE 353 HG13 0.06 0.16 -0.41 -0.04 1.21 0.98 1owcA1 ILE 353 HG23 0.03 -0.02 -0.08 -0.04 0.93 0.82 1owcA1 ILE 353 HD13 0.03 -0.03 -0.19 -0.04 0.88 0.65 1owcA1 GLU 354 H -0.05 0.47 -0.25 -0.55 8.60 8.22 1owcA1 GLU 354 HA -0.04 0.02 0.43 -0.75 4.29 3.94 1owcA1 GLU 354 HB2 -0.06 0.04 0.13 -0.04 2.09 2.16 1owcA1 GLU 354 HB3 -0.19 0.05 0.22 -0.04 1.99 2.02 1owcA1 GLU 354 HG2 -0.09 -0.06 -0.02 -0.04 2.34 2.13 1owcA1 GLU 354 HG3 -0.12 0.01 -0.21 -0.04 2.34 1.98 1owcA1 LYS 355 H -0.32 0.57 -0.00 -0.55 8.42 8.11 1owcA1 LYS 355 HA -0.17 0.05 0.47 -0.75 4.32 3.92 1owcA1 LYS 355 HB2 -0.57 0.05 0.03 -0.04 1.87 1.34 1owcA1 LYS 355 HB3 -0.33 -0.07 0.04 -0.04 1.79 1.40 1owcA1 LYS 355 HG2 -0.54 -0.02 0.03 -0.04 1.46 0.88 1owcA1 LYS 355 HG3 -1.03 -0.03 0.00 -0.04 1.46 0.36 1owcA1 LYS 355 HD2 -0.20 -0.04 0.01 -0.04 1.69 1.42 1owcA1 LYS 355 HD3 -0.19 0.02 -0.02 -0.04 1.68 1.46 1owcA1 LYS 355 HE2 -0.15 -0.01 -0.01 -0.04 2.99 2.77 1owcA1 LYS 355 HE3 -0.19 0.01 -0.01 -0.04 2.99 2.76 1owcA1 LYS 356 H -0.06 0.17 -0.85 -0.55 8.42 7.13 1owcA1 LYS 356 HA 0.09 0.08 0.33 -0.75 4.32 4.07 1owcA1 LYS 356 HB2 0.07 0.07 -0.08 -0.04 1.87 1.89 1owcA1 LYS 356 HB3 0.28 -0.02 0.28 -0.04 1.79 2.29 1owcA1 LYS 356 HG2 0.10 -0.03 0.09 -0.04 1.46 1.57 1owcA1 LYS 356 HG3 0.03 0.16 -0.11 -0.04 1.46 1.50 1owcA1 LYS 356 HD2 0.05 -0.06 -0.01 -0.04 1.69 1.64 1owcA1 LYS 356 HD3 0.10 0.20 0.07 -0.04 1.68 2.01 1owcA1 LYS 356 HE2 0.03 0.05 0.03 -0.04 2.99 3.05 1owcA1 LYS 356 HE3 0.03 -0.12 -0.01 -0.04 2.99 2.86 1owcA1 LEU 357 H -0.07 0.54 -0.07 -0.55 8.37 8.22 1owcA1 LEU 357 HA -0.24 0.05 0.49 -0.75 4.35 3.89 1owcA1 LEU 357 HB2 -0.45 -0.00 0.07 -0.04 1.64 1.22 1owcA1 LEU 357 HB3 -0.15 -0.02 0.14 -0.04 1.64 1.57 1owcA1 LEU 357 HG -0.64 -0.04 -0.16 -0.04 1.64 0.76 1owcA1 LEU 357 HD13 -0.27 0.00 -0.22 -0.04 0.93 0.40 1owcA1 LEU 357 HD23 -1.44 -0.01 -0.09 -0.04 0.89 -0.69 1owcA1 TYR 358 H -0.20 0.34 -0.58 -0.55 8.29 7.30 1owcA1 TYR 358 HA 0.14 0.15 0.33 -0.75 4.56 4.43 1owcA1 TYR 358 HB2 0.12 0.03 0.03 -0.04 3.06 3.21 1owcA1 TYR 358 HB3 0.11 0.10 0.01 -0.04 2.98 3.15 1owcA1 TYR 358 HD2 0.11 0.15 -0.36 -0.04 7.15 7.01 1owcA1 TYR 358 HE2 0.12 0.08 -0.20 -0.04 6.85 6.82 1owcA1 PRO 359 HA -0.17 0.37 0.72 -0.51 4.44 4.85 1owcA1 PRO 359 HB2 0.13 -0.07 0.11 -0.04 2.28 2.40 1owcA1 PRO 359 HB3 -0.93 0.02 0.12 -0.04 2.02 1.19 1owcA1 PRO 359 HG2 -0.07 0.01 0.10 -0.04 2.03 2.03 1owcA1 PRO 359 HG3 -0.16 0.09 0.07 -0.04 2.03 1.99 1owcA1 PRO 359 HD2 0.20 0.05 0.19 -0.04 3.68 4.08 1owcA1 PRO 359 HD3 0.16 0.17 0.14 -0.04 3.65 4.08 1owcA1 ASN 360 H 0.04 0.73 0.28 -0.55 8.53 9.04 1owcA1 ASN 360 HA 0.32 0.16 0.89 -0.75 4.76 5.37 1owcA1 ASN 360 HB2 0.24 -0.21 0.12 -0.04 2.88 2.98 1owcA1 ASN 360 HB3 0.34 0.11 -0.16 -0.04 2.79 3.03 1owcA1 ASN 360 HD21 0.11 0.12 -0.12 -0.04 7.03 7.11 1owcA1 ASN 360 HD22 0.16 0.23 -0.34 -0.04 7.74 7.76 1owcA1 VAL 361 H 0.11 0.14 0.09 -0.55 8.24 8.04 1owcA1 VAL 361 HA 0.20 0.06 0.26 -0.75 4.13 3.90 1owcA1 VAL 361 HB -0.07 -0.13 -0.06 -0.04 2.12 1.82 1owcA1 VAL 361 HG13 -0.20 0.04 -0.05 -0.04 0.97 0.72 1owcA1 VAL 361 HG23 -0.10 0.07 -0.10 -0.04 0.95 0.78 1owcA1 ASP 362 H 0.07 0.10 -0.34 -0.55 8.40 7.69 1owcA1 ASP 362 HA 0.03 0.06 0.48 -0.75 4.63 4.44 1owcA1 ASP 362 HB2 0.08 0.08 -0.01 -0.04 2.71 2.82 1owcA1 ASP 362 HB3 0.12 0.10 0.02 -0.04 2.70 2.90 1owcA1 PHE 363 H 0.09 0.42 -0.23 -0.55 8.34 8.07 1owcA1 PHE 363 HA -0.22 0.22 0.54 -0.75 4.62 4.41 1owcA1 PHE 363 HB2 -0.53 0.18 0.28 -0.04 3.15 3.04 1owcA1 PHE 363 HB3 -0.59 0.06 0.19 -0.04 3.06 2.68 1owcA1 PHE 363 HD2 -1.23 0.07 -0.06 -0.04 7.28 6.02 1owcA1 PHE 363 HE2 0.01 -0.01 -0.06 -0.04 7.38 7.29 1owcA1 PHE 363 HZ 0.04 0.12 0.06 -0.04 7.32 7.50 1owcA1 TYR 364 H 0.04 0.25 -0.11 -0.55 8.29 7.92 1owcA1 TYR 364 HA -0.06 0.08 0.40 -0.75 4.56 4.24 1owcA1 TYR 364 HB2 0.07 0.05 -0.02 -0.04 3.06 3.13 1owcA1 TYR 364 HB3 0.06 0.06 -0.22 -0.04 2.98 2.84 1owcA1 TYR 364 HD2 0.16 0.01 -0.07 -0.04 7.15 7.21 1owcA1 TYR 364 HE2 0.18 0.06 -0.12 -0.04 6.85 6.93 1owcA1 SER 365 H 0.10 0.51 0.01 -0.55 8.46 8.53 1owcA1 SER 365 HA 0.07 0.05 0.42 -0.75 4.49 4.27 1owcA1 SER 365 HB2 0.10 -0.04 0.07 -0.04 3.95 4.03 1owcA1 SER 365 HB3 0.22 0.00 -0.05 -0.04 3.93 4.07 1owcA1 GLY 366 H -0.06 0.37 -0.43 -0.55 8.43 7.76 1owcA1 GLY 366 HA2 -0.53 -0.01 0.33 -0.51 4.01 3.29 1owcA1 GLY 366 HA3 -0.11 0.20 0.26 -0.51 4.01 3.85 1owcA1 ILE 367 H -0.20 0.32 -0.32 -0.55 8.25 7.50 1owcA1 ILE 367 HA -0.09 0.04 0.40 -0.75 4.18 3.77 1owcA1 ILE 367 HB -0.08 0.11 0.14 -0.04 1.89 2.01 1owcA1 ILE 367 HG12 -0.24 -0.07 0.02 -0.04 1.49 1.16 1owcA1 ILE 367 HG13 -0.57 0.26 0.09 -0.04 1.21 0.95 1owcA1 ILE 367 HG23 -0.00 -0.01 -0.13 -0.04 0.93 0.74 1owcA1 ILE 367 HD13 -0.31 -0.03 -0.05 -0.04 0.88 0.45 1owcA1 ILE 368 H -0.04 0.47 -0.14 -0.55 8.25 7.99 1owcA1 ILE 368 HA 0.00 0.02 0.40 -0.75 4.18 3.86 1owcA1 ILE 368 HB -0.00 0.10 0.15 -0.04 1.89 2.09 1owcA1 ILE 368 HG12 0.04 -0.05 -0.00 -0.04 1.49 1.43 1owcA1 ILE 368 HG13 0.05 0.21 0.13 -0.04 1.21 1.56 1owcA1 ILE 368 HG23 0.03 -0.01 -0.16 -0.04 0.93 0.75 1owcA1 ILE 368 HD13 0.06 -0.01 -0.06 -0.04 0.88 0.83 1owcA1 LEU 369 H -0.17 0.62 -0.14 -0.55 8.37 8.13 1owcA1 LEU 369 HA -0.02 0.00 0.37 -0.75 4.35 3.94 1owcA1 LEU 369 HB2 -0.97 0.09 0.06 -0.04 1.64 0.78 1owcA1 LEU 369 HB3 -0.31 -0.02 -0.08 -0.04 1.64 1.20 1owcA1 LEU 369 HG -0.19 0.11 0.02 -0.04 1.64 1.54 1owcA1 LEU 369 HD13 -0.56 -0.03 -0.13 -0.04 0.93 0.16 1owcA1 LEU 369 HD23 -0.04 -0.02 -0.07 -0.04 0.89 0.72 1owcA1 LYS 370 H -0.04 0.60 -0.14 -0.55 8.42 8.29 1owcA1 LYS 370 HA 0.21 0.15 0.44 -0.75 4.32 4.36 1owcA1 LYS 370 HB2 0.05 0.04 0.16 -0.04 1.87 2.08 1owcA1 LYS 370 HB3 0.08 -0.06 -0.01 -0.04 1.79 1.77 1owcA1 LYS 370 HG2 0.24 -0.04 0.02 -0.04 1.46 1.64 1owcA1 LYS 370 HG3 0.46 0.03 0.04 -0.04 1.46 1.94 1owcA1 LYS 370 HD2 0.06 -0.02 -0.20 -0.04 1.69 1.48 1owcA1 LYS 370 HD3 0.09 -0.03 -0.04 -0.04 1.68 1.66 1owcA1 LYS 370 HE2 0.18 -0.01 -0.02 -0.04 2.99 3.09 1owcA1 LYS 370 HE3 0.50 -0.04 -0.03 -0.04 2.99 3.38 1owcA1 ALA 371 H 0.01 0.56 -0.22 -0.55 8.40 8.21 1owcA1 ALA 371 HA 0.01 0.00 0.41 -0.75 4.34 4.01 1owcA1 ALA 371 HB3 0.00 0.01 0.07 -0.04 1.41 1.45 1owcA1 MET 372 H 0.03 0.29 -0.45 -0.55 8.47 7.78 1owcA1 MET 372 HA -0.05 0.06 0.54 -0.75 4.52 4.31 1owcA1 MET 372 HB2 0.09 0.08 0.09 -0.04 2.15 2.37 1owcA1 MET 372 HB3 0.08 -0.06 0.10 -0.04 2.03 2.10 1owcA1 MET 372 HG2 0.03 -0.10 -0.01 -0.04 2.63 2.51 1owcA1 MET 372 HG3 0.03 0.28 0.02 -0.04 2.56 2.84 1owcA1 MET 372 HE3 0.07 -0.03 -0.06 -0.04 2.10 2.04 1owcA1 GLY 373 H 0.03 0.38 -0.52 -0.55 8.43 7.78 1owcA1 GLY 373 HA2 0.03 0.02 0.25 -0.51 4.01 3.80 1owcA1 GLY 373 HA3 -0.04 0.08 0.51 -0.51 4.01 4.04 1owcA1 ILE 374 H 0.15 0.29 -0.20 -0.55 8.25 7.94 1owcA1 ILE 374 HA -0.02 0.12 0.44 -0.75 4.18 3.97 1owcA1 ILE 374 HB 0.23 0.04 0.00 -0.04 1.89 2.11 1owcA1 ILE 374 HG12 -0.09 0.03 -0.08 -0.04 1.49 1.32 1owcA1 ILE 374 HG13 0.44 0.06 -0.17 -0.04 1.21 1.49 1owcA1 ILE 374 HG23 0.04 0.02 -0.20 -0.04 0.93 0.74 1owcA1 ILE 374 HD13 0.09 -0.04 -0.06 -0.04 0.88 0.83 1owcA1 PRO 375 HA -0.08 0.13 0.51 -0.51 4.44 4.48 1owcA1 PRO 375 HB2 -0.09 -0.16 0.06 -0.04 2.28 2.05 1owcA1 PRO 375 HB3 0.03 0.16 0.12 -0.04 2.02 2.28 1owcA1 PRO 375 HG2 -0.07 -0.20 0.06 -0.04 2.03 1.78 1owcA1 PRO 375 HG3 0.24 0.16 0.07 -0.04 2.03 2.46 1owcA1 PRO 375 HD2 -0.43 0.06 0.21 -0.04 3.68 3.47 1owcA1 PRO 375 HD3 0.07 0.31 0.21 -0.04 3.65 4.20 1owcA1 SER 376 H -0.34 0.22 0.15 -0.55 8.46 7.94 1owcA1 SER 376 HA -2.61 0.12 0.34 -0.75 4.49 1.59 1owcA1 SER 376 HB2 -0.27 0.00 0.08 -0.04 3.95 3.72 1owcA1 SER 376 HB3 -0.39 -0.00 0.04 -0.04 3.93 3.54 1owcA1 SER 377 H -0.27 0.16 -0.26 -0.55 8.46 7.54 1owcA1 SER 377 HA -0.07 0.05 0.42 -0.75 4.49 4.14 1owcA1 SER 377 HB2 -0.68 -0.07 0.10 -0.04 3.95 3.26 1owcA1 SER 377 HB3 -0.35 0.04 0.10 -0.04 3.93 3.68 1owcA1 MET 378 H -0.22 0.46 -0.48 -0.55 8.47 7.68 1owcA1 MET 378 HA -0.03 0.05 0.54 -0.75 4.52 4.32 1owcA1 MET 378 HB2 -0.11 0.27 0.02 -0.04 2.15 2.29 1owcA1 MET 378 HB3 -0.07 -0.03 0.05 -0.04 2.03 1.93 1owcA1 MET 378 HG2 0.01 -0.05 -0.10 -0.04 2.63 2.45 1owcA1 MET 378 HG3 -0.14 0.10 -0.00 -0.04 2.56 2.48 1owcA1 MET 378 HE3 0.00 0.04 -0.05 -0.04 2.10 2.05 1owcA1 PHE 379 H -0.10 0.49 -0.44 -0.55 8.34 7.73 1owcA1 PHE 379 HA -0.47 0.11 0.42 -0.75 4.62 3.93 1owcA1 PHE 379 HB2 -0.09 0.11 0.13 -0.04 3.15 3.25 1owcA1 PHE 379 HB3 -0.35 -0.04 -0.03 -0.04 3.06 2.59 1owcA1 PHE 379 HD2 -0.06 -0.04 -0.18 -0.04 7.28 6.96 1owcA1 PHE 379 HE2 -0.02 0.07 -0.24 -0.04 7.38 7.15 1owcA1 PHE 379 HZ -0.01 0.09 -0.20 -0.04 7.32 7.16 1owcA1 THR 380 H 0.03 0.27 -0.07 -0.55 8.28 7.96 1owcA1 THR 380 HA 0.03 0.08 0.43 -0.75 4.39 4.17 1owcA1 THR 380 HB 0.16 0.01 -0.07 -0.04 4.32 4.38 1owcA1 THR 380 HG23 0.30 0.01 -0.02 -0.04 1.22 1.47 1owcA1 VAL 381 H -0.06 0.17 -0.47 -0.55 8.24 7.33 1owcA1 VAL 381 HA -0.06 0.05 0.36 -0.75 4.13 3.73 1owcA1 VAL 381 HB -0.04 0.16 -0.00 -0.04 2.12 2.19 1owcA1 VAL 381 HG13 -0.03 0.02 -0.08 -0.04 0.97 0.84 1owcA1 VAL 381 HG23 -0.06 0.02 -0.12 -0.04 0.95 0.75 1owcA1 ILE 382 H -0.20 0.37 -0.37 -0.55 8.25 7.49 1owcA1 ILE 382 HA -0.20 0.06 0.44 -0.75 4.18 3.72 1owcA1 ILE 382 HB -0.39 0.15 0.13 -0.04 1.89 1.74 1owcA1 ILE 382 HG12 0.04 -0.05 -0.05 -0.04 1.49 1.39 1owcA1 ILE 382 HG13 -0.01 0.03 -0.02 -0.04 1.21 1.17 1owcA1 ILE 382 HG23 -0.16 -0.02 -0.17 -0.04 0.93 0.53 1owcA1 ILE 382 HD13 0.04 0.00 -0.08 -0.04 0.88 0.80 1owcA1 PHE 383 H -0.43 0.45 -0.09 -0.55 8.34 7.72 1owcA1 PHE 383 HA -0.31 0.07 0.34 -0.75 4.62 3.96 1owcA1 PHE 383 HB2 -0.00 0.01 0.08 -0.04 3.15 3.20 1owcA1 PHE 383 HB3 -0.02 -0.03 -0.01 -0.04 3.06 2.96 1owcA1 PHE 383 HD2 -0.32 -0.03 -0.14 -0.04 7.28 6.75 1owcA1 PHE 383 HE2 -0.13 0.00 -0.11 -0.04 7.38 7.10 1owcA1 PHE 383 HZ -0.17 -0.04 -0.14 -0.04 7.32 6.93 1owcA1 ALA 384 H 0.08 0.62 -0.25 -0.55 8.40 8.30 1owcA1 ALA 384 HA 0.05 -0.01 0.37 -0.75 4.34 4.01 1owcA1 ALA 384 HB3 0.22 0.01 0.04 -0.04 1.41 1.64 1owcA1 MET 385 H -0.04 0.35 -0.42 -0.55 8.47 7.82 1owcA1 MET 385 HA 0.01 0.01 0.36 -0.75 4.52 4.15 1owcA1 MET 385 HB2 -0.09 0.12 0.11 -0.04 2.15 2.25 1owcA1 MET 385 HB3 -0.18 0.13 0.19 -0.04 2.03 2.13 1owcA1 MET 385 HG2 -0.12 -0.01 -0.29 -0.04 2.63 2.16 1owcA1 MET 385 HG3 -0.08 -0.08 -0.24 -0.04 2.56 2.13 1owcA1 MET 385 HE3 -0.81 0.01 -0.06 -0.04 2.10 1.19 1owcA1 ALA 386 H -0.11 0.56 -0.18 -0.55 8.40 8.13 1owcA1 ALA 386 HA -0.16 -0.02 0.39 -0.75 4.34 3.79 1owcA1 ALA 386 HB3 -0.09 0.04 0.01 -0.04 1.41 1.34 1owcA1 ARG 387 H -0.19 0.43 -0.29 -0.55 8.46 7.87 1owcA1 ARG 387 HA -0.31 0.20 0.47 -0.75 4.34 3.95 1owcA1 ARG 387 HB2 -0.29 0.14 0.10 -0.04 1.90 1.81 1owcA1 ARG 387 HB3 -0.84 0.04 0.10 -0.04 1.80 1.07 1owcA1 ARG 387 HG2 -0.56 -0.08 -0.07 -0.04 1.67 0.92 1owcA1 ARG 387 HG3 -2.65 -0.08 -0.11 -0.04 1.67 -1.21 1owcA1 ARG 387 HD2 -0.29 -0.17 -0.03 -0.04 3.22 2.68 1owcA1 ARG 387 HD3 -0.49 0.05 0.10 -0.04 3.22 2.84 1owcA1 THR 388 H -0.20 0.42 -0.53 -0.55 8.28 7.42 1owcA1 THR 388 HA 0.16 -0.06 0.35 -0.75 4.39 4.09 1owcA1 THR 388 HB 0.09 0.19 0.09 -0.04 4.32 4.65 1owcA1 THR 388 HG23 0.20 -0.03 -0.09 -0.04 1.22 1.26 1owcA1 VAL 389 H 0.01 0.39 -0.22 -0.55 8.24 7.87 1owcA1 VAL 389 HA 0.04 0.04 0.40 -0.75 4.13 3.85 1owcA1 VAL 389 HB 0.01 0.02 0.10 -0.04 2.12 2.21 1owcA1 VAL 389 HG13 -0.09 0.10 0.03 -0.04 0.97 0.98 1owcA1 VAL 389 HG23 -0.09 -0.04 -0.00 -0.04 0.95 0.78 1owcA1 GLY 390 H -0.13 0.49 -0.08 -0.55 8.43 8.16 1owcA1 GLY 390 HA2 0.04 -0.04 0.47 -0.51 4.01 3.97 1owcA1 GLY 390 HA3 -0.03 0.10 0.47 -0.51 4.01 4.05 1owcA1 TRP 391 H -0.08 0.55 -0.07 -0.55 7.97 7.83 1owcA1 TRP 391 HA 0.18 -0.05 0.37 -0.75 4.62 4.36 1owcA1 TRP 391 HB2 0.06 0.16 0.15 -0.04 3.23 3.57 1owcA1 TRP 391 HB3 0.07 -0.04 -0.03 -0.04 3.23 3.19 1owcA1 TRP 391 HD1 0.08 -0.07 -0.04 -0.04 7.22 7.14 1owcA1 TRP 391 HE1 0.07 -0.17 -0.26 -0.04 10.20 9.79 1owcA1 TRP 391 HE3 0.04 -0.00 -0.03 -0.04 7.59 7.56 1owcA1 TRP 391 HZ2 0.10 -0.07 -0.15 -0.04 7.44 7.28 1owcA1 TRP 391 HZ3 0.04 0.05 -0.10 -0.04 7.13 7.08 1owcA1 TRP 391 HH2 0.09 -0.04 -0.23 -0.04 7.19 6.97 1owcA1 ILE 392 H 0.23 0.69 -0.11 -0.55 8.25 8.52 1owcA1 ILE 392 HA 0.27 -0.00 0.44 -0.75 4.18 4.13 1owcA1 ILE 392 HB 0.09 0.10 0.15 -0.04 1.89 2.19 1owcA1 ILE 392 HG12 0.01 -0.07 0.03 -0.04 1.49 1.41 1owcA1 ILE 392 HG13 0.13 0.21 0.08 -0.04 1.21 1.59 1owcA1 ILE 392 HG23 0.10 -0.01 -0.04 -0.04 0.93 0.94 1owcA1 ILE 392 HD13 0.05 -0.03 -0.03 -0.04 0.88 0.83 1owcA1 ALA 393 H 0.13 0.52 -0.25 -0.55 8.40 8.25 1owcA1 ALA 393 HA 0.03 0.07 0.42 -0.75 4.34 4.10 1owcA1 ALA 393 HB3 -0.05 0.03 0.05 -0.04 1.41 1.40 1owcA1 HIS 394 H 0.29 0.64 -0.05 -0.55 8.41 8.75 1owcA1 HIS 394 HA 0.10 -0.01 0.52 -0.75 4.63 4.48 1owcA1 HIS 394 HB2 0.26 0.10 0.11 -0.04 3.26 3.69 1owcA1 HIS 394 HB3 0.17 -0.02 -0.06 -0.04 3.20 3.24 1owcA1 HIS 394 HD2 0.13 0.22 -0.03 -0.04 6.97 7.23 1owcA1 HIS 394 HE1 0.08 -0.09 -0.09 -0.04 7.75 7.59 1owcA1 TRP 395 H 0.47 0.71 -0.10 -0.55 7.97 8.51 1owcA1 TRP 395 HA 0.13 0.02 0.42 -0.75 4.62 4.44 1owcA1 TRP 395 HB2 0.12 -0.01 0.05 -0.04 3.23 3.35 1owcA1 TRP 395 HB3 0.10 0.05 0.18 -0.04 3.23 3.52 1owcA1 TRP 395 HD1 0.09 0.08 0.01 -0.04 7.22 7.36 1owcA1 TRP 395 HE1 0.17 0.13 -0.04 -0.04 10.20 10.43 1owcA1 TRP 395 HE3 -0.03 0.09 -0.02 -0.04 7.59 7.60 1owcA1 TRP 395 HZ2 -0.14 0.03 -0.02 -0.04 7.44 7.27 1owcA1 TRP 395 HZ3 -0.14 -0.01 0.02 -0.04 7.13 6.96 1owcA1 TRP 395 HH2 -0.24 -0.01 -0.04 -0.04 7.19 6.87 1owcA1 SER 396 H 0.29 0.63 -0.15 -0.55 8.46 8.69 1owcA1 SER 396 HA -0.36 0.01 0.38 -0.75 4.49 3.78 1owcA1 SER 396 HB2 0.05 0.10 0.19 -0.04 3.95 4.25 1owcA1 SER 396 HB3 -0.03 -0.06 0.03 -0.04 3.93 3.83 1owcA1 GLU 397 H 0.00 0.57 -0.12 -0.55 8.60 8.51 1owcA1 GLU 397 HA -0.05 0.02 0.41 -0.75 4.29 3.91 1owcA1 GLU 397 HB2 -0.06 0.12 0.18 -0.04 2.09 2.28 1owcA1 GLU 397 HB3 -0.02 0.02 0.18 -0.04 1.99 2.13 1owcA1 GLU 397 HG2 -0.03 0.04 -0.15 -0.04 2.34 2.16 1owcA1 GLU 397 HG3 -0.04 0.01 0.05 -0.04 2.34 2.31 1owcA1 MET 398 H -0.01 0.50 -0.28 -0.55 8.47 8.12 1owcA1 MET 398 HA -0.06 -0.07 0.36 -0.75 4.52 3.99 1owcA1 MET 398 HB2 0.01 0.07 0.17 -0.04 2.15 2.35 1owcA1 MET 398 HB3 -0.13 0.23 0.15 -0.04 2.03 2.24 1owcA1 MET 398 HG2 -0.10 -0.10 0.08 -0.04 2.63 2.47 1owcA1 MET 398 HG3 -0.03 -0.07 0.03 -0.04 2.56 2.45 1owcA1 MET 398 HE3 -0.17 0.02 -0.04 -0.04 2.10 1.87 1owcA1 HIS 399 H -0.15 0.35 -0.42 -0.55 8.41 7.64 1owcA1 HIS 399 HA -0.23 -0.00 0.43 -0.75 4.63 4.07 1owcA1 HIS 399 HB2 -0.49 0.12 0.22 -0.04 3.26 3.07 1owcA1 HIS 399 HB3 -0.30 -0.00 -0.00 -0.04 3.20 2.86 1owcA1 HIS 399 HD2 -0.22 0.01 -0.17 -0.04 6.97 6.55 1owcA1 HIS 399 HE1 -0.49 -0.02 -0.07 -0.04 7.75 7.13 1owcA1 SER 400 H -0.06 0.46 0.11 -0.55 8.46 8.43 1owcA1 SER 400 HA -0.04 0.01 0.28 -0.75 4.49 3.99 1owcA1 SER 400 HB2 -0.04 -0.05 0.11 -0.04 3.95 3.93 1owcA1 SER 400 HB3 -0.05 -0.04 0.13 -0.04 3.93 3.93 1owcA1 ASP 401 H -0.07 0.27 -0.71 -0.55 8.40 7.34 1owcA1 ASP 401 HA -0.04 -0.00 0.46 -0.75 4.63 4.29 1owcA1 ASP 401 HB2 -0.07 0.21 0.15 -0.04 2.71 2.96 1owcA1 ASP 401 HB3 -0.05 -0.13 0.16 -0.04 2.70 2.64 1owcA1 GLY 402 H -0.07 -0.02 0.22 -0.55 8.43 8.01 1owcA1 GLY 402 HA2 -0.05 0.19 0.65 -0.51 4.01 4.30 1owcA1 GLY 402 HA3 -0.05 -0.06 0.29 -0.51 4.01 3.68 1owcA1 MET 403 H -0.11 0.18 0.27 -0.55 8.47 8.26 1owcA1 MET 403 HA -0.19 0.09 0.35 -0.75 4.52 4.02 1owcA1 MET 403 HB2 -0.09 0.05 -0.25 -0.04 2.15 1.81 1owcA1 MET 403 HB3 -0.12 -0.03 0.25 -0.04 2.03 2.09 1owcA1 MET 403 HG2 -0.27 0.16 0.13 -0.04 2.63 2.61 1owcA1 MET 403 HG3 -0.13 -0.04 -0.03 -0.04 2.56 2.31 1owcA1 MET 403 HE3 -0.36 0.02 -0.16 -0.04 2.10 1.55 1owcA1 LYS 404 H -0.08 0.04 -0.07 -0.55 8.42 7.75 1owcA1 LYS 404 HA -0.05 0.09 0.51 -0.75 4.32 4.12 1owcA1 LYS 404 HB2 -0.04 0.03 0.04 -0.04 1.87 1.85 1owcA1 LYS 404 HB3 -0.04 -0.01 0.03 -0.04 1.79 1.72 1owcA1 LYS 404 HG2 -0.06 0.02 0.15 -0.04 1.46 1.52 1owcA1 LYS 404 HG3 -0.05 0.01 0.07 -0.04 1.46 1.44 1owcA1 LYS 404 HD2 -0.06 -0.06 0.06 -0.04 1.69 1.59 1owcA1 LYS 404 HD3 -0.08 -0.01 0.14 -0.04 1.68 1.69 1owcA1 LYS 404 HE2 -0.04 -0.03 0.10 -0.04 2.99 2.97 1owcA1 LYS 404 HE3 -0.05 0.00 0.12 -0.04 2.99 3.01 1owcA1 ILE 405 H -0.04 0.23 0.26 -0.55 8.25 8.15 1owcA1 ILE 405 HA -0.04 0.03 0.33 -0.75 4.18 3.74 1owcA1 ILE 405 HB -0.02 -0.09 0.06 -0.04 1.89 1.80 1owcA1 ILE 405 HG12 -0.04 0.35 0.14 -0.04 1.49 1.90 1owcA1 ILE 405 HG13 -0.04 0.11 0.21 -0.04 1.21 1.45 1owcA1 ILE 405 HG23 -0.01 0.03 -0.19 -0.04 0.93 0.72 1owcA1 ILE 405 HD13 -0.01 -0.04 0.05 -0.04 0.88 0.84 1owcA1 ALA 406 H -0.02 0.13 0.07 -0.55 8.40 8.03 1owcA1 ALA 406 HA -0.03 0.01 0.44 -0.75 4.34 4.01 1owcA1 ALA 406 HB3 -0.01 -0.00 0.13 -0.04 1.41 1.49 1owcA1 ARG 407 H -0.00 0.18 0.12 -0.55 8.46 8.20 1owcA1 ARG 407 HA 0.02 0.16 0.76 -0.75 4.34 4.52 1owcA1 ARG 407 HB2 0.01 0.02 0.11 -0.04 1.90 2.00 1owcA1 ARG 407 HB3 0.02 -0.03 0.12 -0.04 1.80 1.86 1owcA1 ARG 407 HG2 0.01 -0.00 -0.07 -0.04 1.67 1.56 1owcA1 ARG 407 HG3 0.00 -0.01 -0.77 -0.04 1.67 0.85 1owcA1 ARG 407 HD2 0.00 0.04 -0.07 -0.04 3.22 3.15 1owcA1 ARG 407 HD3 0.01 -0.05 -0.02 -0.04 3.22 3.12 1owcA1 PRO 408 HA 0.08 0.04 0.50 -0.51 4.44 4.54 1owcA1 PRO 408 HB2 0.16 0.11 0.06 -0.04 2.28 2.56 1owcA1 PRO 408 HB3 0.16 -0.04 0.07 -0.04 2.02 2.17 1owcA1 PRO 408 HG2 0.08 0.06 -0.06 -0.04 2.03 2.07 1owcA1 PRO 408 HG3 0.14 -0.01 -0.02 -0.04 2.03 2.10 1owcA1 PRO 408 HD2 0.04 0.22 -0.10 -0.04 3.68 3.80 1owcA1 PRO 408 HD3 0.04 0.02 -0.17 -0.04 3.65 3.49 1owcA1 ARG 409 H 0.10 0.02 0.12 -0.55 8.46 8.16 1owcA1 ARG 409 HA -0.02 0.21 0.72 -0.75 4.34 4.50 1owcA1 ARG 409 HB2 0.04 -0.02 0.01 -0.04 1.90 1.89 1owcA1 ARG 409 HB3 -0.17 -0.01 0.14 -0.04 1.80 1.71 1owcA1 ARG 409 HG2 0.09 -0.04 -0.01 -0.04 1.67 1.67 1owcA1 ARG 409 HG3 -0.08 -0.01 -0.00 -0.04 1.67 1.54 1owcA1 ARG 409 HD2 -0.37 -0.01 0.01 -0.04 3.22 2.81 1owcA1 ARG 409 HD3 -0.07 0.11 -0.12 -0.04 3.22 3.10 1owcA1 GLN 410 H -0.03 0.32 0.17 -0.55 8.47 8.37 1owcA1 GLN 410 HA 0.10 0.10 0.60 -0.75 4.36 4.41 1owcA1 GLN 410 HB2 0.08 0.01 -0.04 -0.04 2.15 2.16 1owcA1 GLN 410 HB3 0.05 0.10 -0.23 -0.04 2.02 1.91 1owcA1 GLN 410 HG2 0.02 0.01 -0.07 -0.04 2.40 2.32 1owcA1 GLN 410 HG3 0.08 -0.06 -0.36 -0.04 2.39 2.00 1owcA1 GLN 410 HE21 0.17 0.00 -0.06 -0.04 6.97 7.04 1owcA1 GLN 410 HE22 0.07 -0.01 -0.07 -0.04 7.69 7.64 1owcA1 LEU 411 H 0.13 0.17 0.06 -0.55 8.37 8.19 1owcA1 LEU 411 HA -0.02 0.14 0.68 -0.75 4.35 4.40 1owcA1 LEU 411 HB2 -0.15 -0.02 0.08 -0.04 1.64 1.51 1owcA1 LEU 411 HB3 -0.10 -0.03 0.17 -0.04 1.64 1.64 1owcA1 LEU 411 HG -0.37 0.02 -0.01 -0.04 1.64 1.23 1owcA1 LEU 411 HD13 -0.41 -0.01 -0.05 -0.04 0.93 0.42 1owcA1 LEU 411 HD23 -0.11 0.01 -0.16 -0.04 0.89 0.59 1owcA1 TYR 412 H 0.10 0.24 0.03 -0.55 8.29 8.11 1owcA1 TYR 412 HA -0.02 0.07 0.73 -0.75 4.56 4.58 1owcA1 TYR 412 HB2 -0.03 0.03 0.01 -0.04 3.06 3.04 1owcA1 TYR 412 HB3 -0.03 0.04 0.14 -0.04 2.98 3.08 1owcA1 TYR 412 HD2 -0.01 0.03 -0.08 -0.04 7.15 7.05 1owcA1 TYR 412 HE2 0.01 0.09 -0.19 -0.04 6.85 6.73 1owcA1 THR 413 H -0.40 0.17 0.12 -0.55 8.28 7.63 1owcA1 THR 413 HA -0.25 0.24 0.84 -0.75 4.39 4.47 1owcA1 THR 413 HB -0.19 -0.01 0.06 -0.04 4.32 4.14 1owcA1 THR 413 HG23 -0.14 0.00 0.09 -0.04 1.22 1.12 1owcA1 GLY 414 H -1.73 0.01 -0.18 -0.55 8.43 5.99 1owcA1 GLY 414 HA2 -0.33 0.13 0.50 -0.51 4.01 3.80 1owcA1 GLY 414 HA3 -0.48 -0.02 0.33 -0.51 4.01 3.33 1owcA1 TYR 415 H 0.16 0.06 0.10 -0.55 8.29 8.06 1owcA1 TYR 415 HA 0.02 0.05 0.48 -0.75 4.56 4.36 1owcA1 TYR 415 HB2 0.08 -0.08 0.12 -0.04 3.06 3.13 1owcA1 TYR 415 HB3 0.06 0.22 -0.05 -0.04 2.98 3.17 1owcA1 TYR 415 HD2 0.02 -0.00 0.04 -0.04 7.15 7.18 1owcA1 TYR 415 HE2 0.01 -0.01 0.00 -0.04 6.85 6.81 1owcA1 GLU 416 H 0.19 0.07 0.14 -0.55 8.60 8.45 1owcA1 GLU 416 HA 0.16 0.07 0.50 -0.75 4.29 4.27 1owcA1 GLU 416 HB2 0.10 0.01 0.02 -0.04 2.09 2.18 1owcA1 GLU 416 HB3 0.08 -0.01 0.08 -0.04 1.99 2.10 1owcA1 GLU 416 HG2 0.05 -0.00 0.03 -0.04 2.34 2.37 1owcA1 GLU 416 HG3 0.08 0.05 0.00 -0.04 2.34 2.44 1owcA1 LYS 417 H 0.06 0.08 0.10 -0.55 8.42 8.10 1owcA1 LYS 417 HA 0.05 0.02 0.32 -0.75 4.32 3.96 1owcA1 LYS 417 HB2 0.02 0.00 0.13 -0.04 1.87 1.97 1owcA1 LYS 417 HB3 0.03 -0.03 0.11 -0.04 1.79 1.86 1owcA1 LYS 417 HG2 0.02 0.05 -0.02 -0.04 1.46 1.46 1owcA1 LYS 417 HG3 0.01 -0.01 -0.02 -0.04 1.46 1.39 1owcA1 LYS 417 HD2 0.02 -0.02 -0.13 -0.04 1.69 1.52 1owcA1 LYS 417 HD3 0.03 0.02 -0.70 -0.04 1.68 0.98 1owcA1 LYS 417 HE2 0.02 0.11 -0.32 -0.04 2.99 2.76 1owcA1 LYS 417 HE3 0.02 -0.00 -0.11 -0.04 2.99 2.85 1owcA1 ARG 418 H 0.04 0.20 0.22 -0.55 8.46 8.37 1owcA1 ARG 418 HA 0.03 0.11 0.76 -0.75 4.34 4.48 1owcA1 ARG 418 HB2 -0.02 0.00 0.09 -0.04 1.90 1.94 1owcA1 ARG 418 HB3 0.03 0.07 -0.03 -0.04 1.80 1.82 1owcA1 ARG 418 HG2 -0.01 0.02 0.02 -0.04 1.67 1.67 1owcA1 ARG 418 HG3 -0.03 0.00 -0.13 -0.04 1.67 1.47 1owcA1 ARG 418 HD2 -0.23 0.01 -0.02 -0.04 3.22 2.94 1owcA1 ARG 418 HD3 -0.28 -0.00 -0.02 -0.04 3.22 2.88 1owcA1 ASP 419 H 0.01 0.11 0.12 -0.55 8.40 8.10 1owcA1 ASP 419 HA 0.05 0.08 0.58 -0.75 4.63 4.59 1owcA1 ASP 419 HB2 -0.00 -0.00 0.03 -0.04 2.71 2.70 1owcA1 ASP 419 HB3 0.01 0.05 0.02 -0.04 2.70 2.75 1owcA1 PHE 420 H 0.15 0.16 0.19 -0.55 8.34 8.28 1owcA1 PHE 420 HA -0.03 0.18 0.90 -0.75 4.62 4.91 1owcA1 PHE 420 HB2 -0.03 0.06 -0.00 -0.04 3.15 3.14 1owcA1 PHE 420 HB3 -0.02 -0.01 0.12 -0.04 3.06 3.12 1owcA1 PHE 420 HD2 -0.02 0.04 -0.07 -0.04 7.28 7.18 1owcA1 PHE 420 HE2 -0.02 0.01 -0.04 -0.04 7.38 7.30 1owcA1 PHE 420 HZ -0.01 -0.02 0.00 -0.04 7.32 7.25 1owcA1 LYS 421 H -0.67 0.24 -0.02 -0.55 8.42 7.41 1owcA1 LYS 421 HA -0.44 0.07 0.67 -0.75 4.32 3.86 1owcA1 LYS 421 HB2 -0.16 0.04 -0.18 -0.04 1.87 1.53 1owcA1 LYS 421 HB3 -0.20 -0.01 0.03 -0.04 1.79 1.58 1owcA1 LYS 421 HG2 -0.11 -0.03 -0.02 -0.04 1.46 1.26 1owcA1 LYS 421 HG3 -0.17 0.15 -0.14 -0.04 1.46 1.26 1owcA1 LYS 421 HD2 -0.15 -0.03 0.09 -0.04 1.69 1.56 1owcA1 LYS 421 HD3 -0.09 -0.03 0.02 -0.04 1.68 1.55 1owcA1 LYS 421 HE2 -0.06 -0.04 0.00 -0.04 2.99 2.85 1owcA1 LYS 421 HE3 -0.07 -0.02 -0.02 -0.04 2.99 2.84 1owcA1 SER 422 H -0.69 0.11 0.08 -0.55 8.46 7.41 1owcA1 SER 422 HA -0.34 -0.02 0.37 -0.75 4.49 3.74 1owcA1 SER 422 HB2 -0.02 0.01 0.15 -0.04 3.95 4.05 1owcA1 SER 422 HB3 -0.08 0.10 0.10 -0.04 3.93 4.00 1owcA1 ASP 423 H -0.04 0.04 0.22 -0.55 8.40 8.07 1owcA1 ASP 423 HA -0.06 0.23 0.84 -0.75 4.63 4.88 1owcA1 ASP 423 HB2 -0.02 -0.06 0.10 -0.04 2.71 2.69 1owcA1 ASP 423 HB3 -0.02 -0.01 0.06 -0.04 2.70 2.70 1owcA1 ILE 424 H -0.01 -0.06 0.06 -0.55 8.25 7.70 1owcA1 ILE 424 HA -0.00 0.25 0.90 -0.75 4.18 4.58 1owcA1 ILE 424 HB 0.01 -0.01 0.03 -0.04 1.89 1.89 1owcA1 ILE 424 HG12 0.05 -0.07 0.01 -0.04 1.49 1.43 1owcA1 ILE 424 HG13 0.02 -0.08 -0.46 -0.04 1.21 0.65 1owcA1 ILE 424 HG23 0.03 -0.01 -0.03 -0.04 0.93 0.88 1owcA1 ILE 424 HD13 0.04 0.01 -0.03 -0.04 0.88 0.86 1owcA1 LYS 425 H 0.00 0.19 -0.09 -0.55 8.42 7.97 1owcA1 LYS 425 HA 0.00 0.16 0.68 -0.75 4.32 4.41 1owcA1 LYS 425 HB2 -0.01 0.05 -0.14 -0.04 1.87 1.74 1owcA1 LYS 425 HB3 -0.00 -0.01 0.15 -0.04 1.79 1.89 1owcA1 LYS 425 HG2 -0.00 -0.02 0.06 -0.04 1.46 1.46 1owcA1 LYS 425 HG3 -0.00 0.01 0.03 -0.04 1.46 1.47 1owcA1 LYS 425 HD2 -0.01 -0.00 -0.01 -0.04 1.69 1.63 1owcA1 LYS 425 HD3 -0.00 -0.01 -0.00 -0.04 1.68 1.62 1owcA1 LYS 425 HE2 -0.01 0.04 -0.09 -0.04 2.99 2.89 1owcA1 LYS 425 HE3 -0.01 -0.01 -0.03 -0.04 2.99 2.90 1owcA1 ARG 426 H 0.01 0.35 -0.22 -0.55 8.46 8.06 1owcA1 ARG 426 HA 0.01 0.16 0.22 -0.75 4.34 3.97 1owcA1 ARG 426 HB2 0.01 0.10 -0.30 -0.04 1.90 1.67 1owcA1 ARG 426 HB3 0.01 -0.02 -0.04 -0.04 1.80 1.71 1owcA1 ARG 426 HG2 0.01 -0.01 0.04 -0.04 1.67 1.67 1owcA1 ARG 426 HG3 0.01 0.05 0.09 -0.04 1.67 1.77 1owcA1 ARG 426 HD2 0.00 0.03 0.01 -0.04 3.22 3.22 1owcA1 ARG 426 HD3 0.01 -0.03 -0.01 -0.04 3.22 3.15