REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2y4j_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSLVVFPFKH EHPEVLLHNV RVAAAHPRVH EVLCIGYERD QTYEAVERAA DATA SEQUENCE PEISRATGTP VSVRLQERLG TLRPGKGDGM NTALRYFLEE TQWERIHFYD DATA SEQUENCE ADITSFGPDW ITKAEEAADF GYGLVRHYFP RASTDAMITW MITRTGFALL DATA SEQUENCE WPHTELSWIE QPLGGELLMR REVAAMLYED ERVRRRSDWG IDTLYTFVTV DATA SEQUENCE QQGVSIYECY IPEGKXXXXY GGLDDLRTML VECFAAIQSL QHEVVGQPAI DATA SEQUENCE HRQEHPHRVP VHIAERVGYD VEATLHRLMQ HWTPRQVELL ELFTTPVREG DATA SEQUENCE LRTCQRRPAF NFMDEMAWAA TYHVLLEHFQ PGDPDWEELL FKLWTTRVLN DATA SEQUENCE YTMTVALRGY DYAQQYLYRM LGRYRYQAAL E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.491 176.300 0.318 0.000 1.140 1 M CA 0.000 55.669 55.300 0.615 0.000 0.988 1 M CB 0.000 32.962 32.600 0.604 0.000 1.302 2 S N 2.236 117.921 115.700 -0.026 0.000 2.720 2 S HA 0.847 5.318 4.470 0.001 0.000 0.278 2 S C -1.675 172.757 174.600 -0.280 0.000 1.172 2 S CA -0.472 57.667 58.200 -0.101 0.000 1.019 2 S CB 1.125 64.269 63.200 -0.094 0.000 1.049 2 S HN 2.039 nan 8.310 nan 0.000 0.483 3 L N 6.393 127.572 121.223 -0.073 0.000 2.276 3 L HA 0.699 5.040 4.340 0.001 0.000 0.286 3 L C -0.976 175.813 176.870 -0.135 0.000 1.061 3 L CA -0.108 54.685 54.840 -0.078 0.000 0.807 3 L CB 1.325 43.513 42.059 0.214 0.000 1.177 3 L HN 0.452 nan 8.230 nan 0.000 0.429 4 V N 6.167 125.975 119.914 -0.176 0.000 2.370 4 V HA 0.455 4.575 4.120 0.001 0.000 0.283 4 V C -0.290 175.603 176.094 -0.336 0.000 1.023 4 V CA -0.655 61.490 62.300 -0.258 0.000 0.857 4 V CB 1.639 33.310 31.823 -0.254 0.000 0.985 4 V HN 0.529 nan 8.190 nan 0.000 0.443 5 V N 5.678 125.289 119.914 -0.505 0.000 2.398 5 V HA 0.505 4.625 4.120 0.001 0.000 0.286 5 V C -0.696 175.141 176.094 -0.429 0.000 1.026 5 V CA -0.435 61.617 62.300 -0.413 0.000 0.868 5 V CB 1.417 32.905 31.823 -0.558 0.000 0.982 5 V HN 0.691 nan 8.190 nan 0.000 0.443 6 F N 6.050 126.022 119.950 0.036 0.000 2.366 6 F HA 0.491 5.019 4.527 0.001 0.000 0.366 6 F C -2.279 173.638 175.800 0.195 0.000 1.096 6 F CA -2.649 55.404 58.000 0.087 0.000 1.060 6 F CB 1.414 40.411 39.000 -0.005 0.000 1.282 6 F HN 0.321 nan 8.300 nan 0.000 0.450 7 P HA 0.263 nan 4.420 nan 0.000 0.275 7 P C -0.872 176.621 177.300 0.323 0.000 1.227 7 P CA -0.135 63.127 63.100 0.271 0.000 0.781 7 P CB 0.626 32.431 31.700 0.176 0.000 0.906 8 F N 0.560 120.557 119.950 0.078 0.000 2.664 8 F HA 0.747 5.275 4.527 0.001 0.000 0.317 8 F C 0.168 175.967 175.800 -0.000 0.000 1.108 8 F CA -0.950 57.072 58.000 0.036 0.000 0.957 8 F CB 1.704 40.724 39.000 0.033 0.000 1.365 8 F HN 0.222 nan 8.300 nan 0.000 0.475 9 K N -0.853 119.577 120.400 0.049 0.000 2.788 9 K HA 0.292 4.612 4.320 0.001 0.000 0.247 9 K C 0.150 176.658 176.600 -0.154 0.000 1.667 9 K CA -0.198 55.940 56.287 -0.249 0.000 0.923 9 K CB 0.382 32.617 32.500 -0.440 0.000 2.066 9 K HN 0.802 nan 8.250 nan 0.000 0.357 10 H N 1.135 120.262 119.070 0.094 0.000 2.662 10 H HA 0.304 4.861 4.556 0.001 0.000 0.268 10 H C -0.724 174.594 175.328 -0.016 0.000 1.152 10 H CA -0.209 55.878 56.048 0.064 0.000 1.072 10 H CB 0.549 30.315 29.762 0.008 0.000 1.660 10 H HN 0.252 nan 8.280 nan 0.000 0.584 11 E N 1.218 121.478 120.200 0.099 0.000 2.436 11 E HA -0.030 4.321 4.350 0.001 0.000 0.262 11 E C 0.236 176.799 176.600 -0.062 0.000 1.063 11 E CA 0.164 56.548 56.400 -0.027 0.000 0.944 11 E CB 0.441 30.156 29.700 0.026 0.000 0.950 11 E HN 0.257 nan 8.360 nan 0.000 0.444 12 H N 3.173 122.267 119.070 0.039 0.000 2.964 12 H HA -0.028 4.529 4.556 0.001 0.000 0.328 12 H C -1.563 173.742 175.328 -0.038 0.000 1.030 12 H CA -1.349 54.704 56.048 0.009 0.000 1.445 12 H CB 0.207 29.969 29.762 -0.001 0.000 1.449 12 H HN 0.432 nan 8.280 nan 0.000 0.581 13 P HA -0.166 nan 4.420 nan 0.000 0.219 13 P C 1.510 178.771 177.300 -0.065 0.000 1.146 13 P CA 1.170 64.243 63.100 -0.044 0.000 0.808 13 P CB 0.392 32.073 31.700 -0.032 0.000 0.779 14 E N -0.090 120.098 120.200 -0.020 0.000 2.072 14 E HA -0.086 4.265 4.350 0.001 0.000 0.190 14 E C 1.894 178.475 176.600 -0.033 0.000 0.982 14 E CA 1.239 57.616 56.400 -0.038 0.000 0.803 14 E CB -1.543 28.131 29.700 -0.043 0.000 0.755 14 E HN 0.089 nan 8.360 nan 0.000 0.453 15 V N 1.906 121.809 119.914 -0.018 0.000 2.287 15 V HA -0.259 3.862 4.120 0.001 0.000 0.248 15 V C 2.677 178.702 176.094 -0.115 0.000 1.053 15 V CA 1.875 64.164 62.300 -0.018 0.000 1.027 15 V CB -0.896 30.927 31.823 0.001 0.000 0.646 15 V HN 0.169 nan 8.190 nan 0.000 0.447 16 L N -0.225 120.888 121.223 -0.184 0.000 2.017 16 L HA -0.106 4.235 4.340 0.001 0.000 0.208 16 L C 2.201 178.816 176.870 -0.425 0.000 1.073 16 L CA 1.833 56.454 54.840 -0.365 0.000 0.745 16 L CB -0.604 41.231 42.059 -0.375 0.000 0.894 16 L HN 0.204 nan 8.230 nan 0.000 0.432 17 L N -0.999 120.061 121.223 -0.273 0.000 2.141 17 L HA -0.221 4.120 4.340 0.001 0.000 0.209 17 L C 2.666 179.442 176.870 -0.157 0.000 1.094 17 L CA 1.377 56.081 54.840 -0.227 0.000 0.763 17 L CB -0.880 41.088 42.059 -0.151 0.000 0.908 17 L HN 0.534 nan 8.230 nan 0.000 0.437 18 H N 0.590 119.546 119.070 -0.190 0.000 2.321 18 H HA -0.166 4.391 4.556 0.001 0.000 0.300 18 H C 1.796 177.044 175.328 -0.132 0.000 1.087 18 H CA 1.812 57.780 56.048 -0.132 0.000 1.319 18 H CB 0.305 30.008 29.762 -0.099 0.000 1.379 18 H HN 0.341 nan 8.280 nan 0.000 0.501 19 N N 0.471 118.909 118.700 -0.437 0.000 2.188 19 N HA -0.111 4.629 4.740 0.001 0.000 0.184 19 N C 2.194 177.429 175.510 -0.458 0.000 1.018 19 N CA 0.995 53.744 53.050 -0.502 0.000 0.858 19 N CB -0.383 37.603 38.487 -0.834 0.000 0.989 19 N HN 0.189 nan 8.380 nan 0.000 0.426 20 V N 1.041 120.604 119.914 -0.586 0.000 2.358 20 V HA -0.180 3.941 4.120 0.001 0.000 0.246 20 V C 2.444 178.472 176.094 -0.110 0.000 1.047 20 V CA 1.396 63.485 62.300 -0.351 0.000 1.035 20 V CB -0.395 31.224 31.823 -0.341 0.000 0.658 20 V HN 0.172 nan 8.190 nan 0.000 0.452 21 R N -0.267 120.154 120.500 -0.131 0.000 2.083 21 R HA -0.149 4.191 4.340 0.001 0.000 0.237 21 R C 2.223 178.493 176.300 -0.049 0.000 1.137 21 R CA 1.702 57.761 56.100 -0.069 0.000 0.951 21 R CB -0.659 29.610 30.300 -0.050 0.000 0.851 21 R HN 0.383 nan 8.270 nan 0.000 0.434 22 V N 0.460 120.319 119.914 -0.092 0.000 2.287 22 V HA -0.292 3.829 4.120 0.001 0.000 0.248 22 V C 2.308 178.412 176.094 0.017 0.000 1.053 22 V CA 2.090 64.343 62.300 -0.078 0.000 1.027 22 V CB -0.802 30.904 31.823 -0.196 0.000 0.646 22 V HN 0.544 nan 8.190 nan 0.000 0.447 23 A N -0.320 122.584 122.820 0.141 0.000 1.933 23 A HA -0.095 4.226 4.320 0.001 0.000 0.218 23 A C 2.344 179.968 177.584 0.066 0.000 1.175 23 A CA 2.138 54.260 52.037 0.142 0.000 0.628 23 A CB -0.675 18.506 19.000 0.302 0.000 0.814 23 A HN 0.596 nan 8.150 nan 0.000 0.444 24 A N -0.563 122.289 122.820 0.053 0.000 1.970 24 A HA 0.359 4.680 4.320 0.001 0.000 0.216 24 A C 2.365 179.961 177.584 0.021 0.000 1.170 24 A CA 1.456 53.509 52.037 0.026 0.000 0.645 24 A CB -0.718 18.293 19.000 0.019 0.000 0.816 24 A HN 0.972 nan 8.150 nan 0.000 0.447 25 A N -1.202 121.628 122.820 0.017 0.000 2.067 25 A HA -0.058 4.263 4.320 0.001 0.000 0.219 25 A C 1.272 178.855 177.584 -0.003 0.000 1.158 25 A CA 0.401 52.439 52.037 0.001 0.000 0.661 25 A CB -0.694 18.297 19.000 -0.015 0.000 0.801 25 A HN 0.608 nan 8.150 nan 0.000 0.452 26 H N 0.506 119.536 119.070 -0.067 0.000 3.004 26 H HA 0.075 4.632 4.556 0.001 0.000 0.316 26 H C -1.726 173.556 175.328 -0.076 0.000 1.014 26 H CA -1.149 54.852 56.048 -0.079 0.000 1.454 26 H CB 1.061 30.758 29.762 -0.107 0.000 1.472 26 H HN 0.056 nan 8.280 nan 0.000 0.571 27 P HA -0.070 nan 4.420 nan 0.000 0.220 27 P C 0.965 178.289 177.300 0.039 0.000 1.148 27 P CA 1.283 64.348 63.100 -0.059 0.000 0.803 27 P CB 0.256 31.879 31.700 -0.128 0.000 0.782 28 R N -1.215 119.413 120.500 0.213 0.000 2.317 28 R HA 0.164 4.505 4.340 0.001 0.000 0.208 28 R C -0.039 176.071 176.300 -0.317 0.000 0.914 28 R CA 0.124 56.234 56.100 0.016 0.000 1.060 28 R CB 0.199 30.587 30.300 0.147 0.000 1.015 28 R HN 0.094 nan 8.270 nan 0.000 0.498 29 V N 1.259 121.033 119.914 -0.235 0.000 2.383 29 V HA 0.101 4.222 4.120 0.001 0.000 0.275 29 V C 0.526 176.372 176.094 -0.414 0.000 1.036 29 V CA -0.358 61.725 62.300 -0.363 0.000 0.889 29 V CB 1.292 32.992 31.823 -0.206 0.000 0.985 29 V HN 0.271 nan 8.190 nan 0.000 0.459 30 H N 2.253 121.082 119.070 -0.401 0.000 2.582 30 H HA 0.321 4.878 4.556 0.001 0.000 0.269 30 H C 0.681 175.731 175.328 -0.464 0.000 0.962 30 H CA 0.288 55.993 56.048 -0.570 0.000 1.230 30 H CB 0.955 30.026 29.762 -1.151 0.000 1.445 30 H HN 0.658 nan 8.280 nan 0.000 0.528 31 E N 0.743 120.748 120.200 -0.325 0.000 2.352 31 E HA 0.354 4.705 4.350 0.001 0.000 0.280 31 E C -1.743 174.837 176.600 -0.033 0.000 0.930 31 E CA -0.649 55.716 56.400 -0.057 0.000 0.765 31 E CB 2.308 32.117 29.700 0.182 0.000 1.219 31 E HN -0.113 nan 8.360 nan 0.000 0.434 32 V N 3.908 123.841 119.914 0.031 0.000 2.459 32 V HA 0.491 4.612 4.120 0.001 0.000 0.295 32 V C -0.634 175.490 176.094 0.050 0.000 1.029 32 V CA -0.803 61.525 62.300 0.046 0.000 0.874 32 V CB 1.369 33.251 31.823 0.097 0.000 0.985 32 V HN 0.572 nan 8.190 nan 0.000 0.438 33 L N 5.543 126.780 121.223 0.023 0.000 2.356 33 L HA 0.708 5.049 4.340 0.001 0.000 0.277 33 L C -0.639 176.274 176.870 0.071 0.000 0.996 33 L CA 0.132 54.955 54.840 -0.029 0.000 0.822 33 L CB 1.437 43.402 42.059 -0.156 0.000 1.256 33 L HN 0.764 nan 8.230 nan 0.000 0.413 34 C N 6.062 125.422 119.300 0.100 0.000 2.303 34 C HA 0.606 5.067 4.460 0.001 0.000 0.326 34 C C -0.155 175.017 174.990 0.303 0.000 1.285 34 C CA -0.982 58.193 59.018 0.261 0.000 1.675 34 C CB 0.371 28.213 27.740 0.169 0.000 2.289 34 C HN 0.510 nan 8.230 nan 0.000 0.512 35 I N 3.622 124.371 120.570 0.299 0.000 2.328 35 I HA 0.369 4.540 4.170 0.001 0.000 0.287 35 I C 0.847 176.819 176.117 -0.240 0.000 1.012 35 I CA 0.388 61.745 61.300 0.095 0.000 1.195 35 I CB 0.705 38.749 38.000 0.074 0.000 1.350 35 I HN 0.871 nan 8.210 nan 0.000 0.464 36 G N 4.184 112.740 108.800 -0.408 0.000 2.400 36 G HA2 0.191 4.152 3.960 0.001 0.000 0.301 36 G HA3 0.191 4.152 3.960 0.001 0.000 0.301 36 G C 0.275 174.919 174.900 -0.427 0.000 1.154 36 G CA -0.247 44.214 45.100 -1.066 0.000 0.852 36 G HN 0.611 nan 8.290 nan 0.000 0.511 37 Y N 0.945 120.902 120.300 -0.571 0.000 2.145 37 Y HA -0.008 4.542 4.550 0.001 0.000 0.286 37 Y C 1.282 177.027 175.900 -0.259 0.000 1.145 37 Y CA 1.979 59.869 58.100 -0.350 0.000 1.148 37 Y CB 0.287 38.523 38.460 -0.372 0.000 0.981 37 Y HN 0.700 nan 8.280 nan 0.000 0.507 38 E N -1.444 118.573 120.200 -0.305 0.000 2.449 38 E HA 0.298 4.649 4.350 0.001 0.000 0.278 38 E C -0.933 175.472 176.600 -0.324 0.000 1.059 38 E CA -1.036 55.146 56.400 -0.363 0.000 0.854 38 E CB 0.508 29.996 29.700 -0.353 0.000 1.465 38 E HN -0.006 nan 8.360 nan 0.000 0.462 39 R N 1.873 122.150 120.500 -0.372 0.000 3.688 39 R HA 0.074 4.415 4.340 0.001 0.000 0.194 39 R C -0.282 175.996 176.300 -0.037 0.000 1.677 39 R CA 0.203 56.090 56.100 -0.355 0.000 1.351 39 R CB -0.419 29.691 30.300 -0.317 0.000 1.338 39 R HN 0.433 nan 8.270 nan 0.000 0.731 40 D N -0.598 119.877 120.400 0.125 0.000 2.539 40 D HA 0.005 4.646 4.640 0.001 0.000 0.280 40 D C 0.761 177.201 176.300 0.232 0.000 1.208 40 D CA -0.489 53.632 54.000 0.202 0.000 1.088 40 D CB 0.540 41.538 40.800 0.329 0.000 1.149 40 D HN 0.042 nan 8.370 nan 0.000 0.596 41 Q N -0.683 119.237 119.800 0.200 0.000 2.061 41 Q HA -0.110 4.230 4.340 0.001 0.000 0.204 41 Q C 2.146 178.257 176.000 0.186 0.000 0.984 41 Q CA 2.077 57.977 55.803 0.161 0.000 0.846 41 Q CB -0.554 28.254 28.738 0.117 0.000 0.902 41 Q HN 0.582 nan 8.270 nan 0.000 0.421 42 T N 0.638 115.337 114.554 0.242 0.000 2.684 42 T HA -0.222 4.129 4.350 0.001 0.000 0.267 42 T C 1.586 176.425 174.700 0.231 0.000 1.036 42 T CA 1.510 63.737 62.100 0.211 0.000 1.148 42 T CB -0.572 68.474 68.868 0.295 0.000 0.863 42 T HN 0.331 nan 8.240 nan 0.000 0.436 43 Y N 2.019 122.518 120.300 0.331 0.000 2.274 43 Y HA -0.126 4.425 4.550 0.001 0.000 0.290 43 Y C 2.406 178.398 175.900 0.152 0.000 1.145 43 Y CA 1.208 59.520 58.100 0.353 0.000 1.203 43 Y CB -0.129 38.527 38.460 0.326 0.000 0.984 43 Y HN 0.259 nan 8.280 nan 0.000 0.533 44 E N -0.391 119.996 120.200 0.313 0.000 2.072 44 E HA -0.140 4.211 4.350 0.001 0.000 0.190 44 E C 2.421 179.061 176.600 0.066 0.000 0.982 44 E CA 0.873 57.390 56.400 0.195 0.000 0.803 44 E CB -0.386 29.412 29.700 0.163 0.000 0.755 44 E HN 0.524 nan 8.360 nan 0.000 0.453 45 A N 1.460 124.303 122.820 0.038 0.000 1.902 45 A HA -0.141 4.180 4.320 0.001 0.000 0.217 45 A C 2.583 180.114 177.584 -0.089 0.000 1.181 45 A CA 1.269 53.294 52.037 -0.020 0.000 0.623 45 A CB -0.735 18.254 19.000 -0.018 0.000 0.818 45 A HN 0.100 nan 8.150 nan 0.000 0.443 46 V N -0.223 119.591 119.914 -0.166 0.000 2.295 46 V HA -0.260 3.861 4.120 0.001 0.000 0.246 46 V C 2.486 178.455 176.094 -0.207 0.000 1.049 46 V CA 2.315 64.454 62.300 -0.269 0.000 1.024 46 V CB -0.667 30.857 31.823 -0.497 0.000 0.648 46 V HN 0.715 nan 8.190 nan 0.000 0.447 47 E N -0.463 119.620 120.200 -0.194 0.000 2.204 47 E HA -0.195 4.156 4.350 0.001 0.000 0.194 47 E C 2.484 179.053 176.600 -0.051 0.000 0.989 47 E CA 0.846 57.171 56.400 -0.124 0.000 0.824 47 E CB 0.037 29.696 29.700 -0.068 0.000 0.756 47 E HN 0.487 nan 8.360 nan 0.000 0.477 48 R N -0.340 120.138 120.500 -0.037 0.000 2.062 48 R HA -0.035 4.306 4.340 0.001 0.000 0.229 48 R C 2.301 178.582 176.300 -0.033 0.000 1.128 48 R CA 1.071 57.159 56.100 -0.020 0.000 0.960 48 R CB -0.178 30.118 30.300 -0.007 0.000 0.855 48 R HN 0.076 nan 8.270 nan 0.000 0.432 49 A N 1.059 123.846 122.820 -0.056 0.000 2.067 49 A HA -0.009 4.312 4.320 0.001 0.000 0.219 49 A C 2.250 179.800 177.584 -0.058 0.000 1.158 49 A CA 1.314 53.316 52.037 -0.059 0.000 0.661 49 A CB -0.376 18.576 19.000 -0.080 0.000 0.801 49 A HN 0.391 nan 8.150 nan 0.000 0.452 50 A N 0.904 123.685 122.820 -0.066 0.000 1.841 50 A HA -0.085 4.236 4.320 0.001 0.000 0.216 50 A C 0.263 177.833 177.584 -0.024 0.000 1.199 50 A CA 1.940 53.945 52.037 -0.054 0.000 0.621 50 A CB -1.799 17.165 19.000 -0.059 0.000 0.835 50 A HN 0.424 nan 8.150 nan 0.000 0.445 51 P HA -0.179 nan 4.420 nan 0.000 0.217 51 P C 1.495 178.796 177.300 0.001 0.000 1.148 51 P CA 1.420 64.522 63.100 0.003 0.000 0.828 51 P CB -0.058 31.646 31.700 0.008 0.000 0.783 52 E N -0.285 119.911 120.200 -0.006 0.000 2.106 52 E HA -0.151 4.200 4.350 0.001 0.000 0.192 52 E C 1.869 178.464 176.600 -0.008 0.000 0.984 52 E CA 1.040 57.436 56.400 -0.007 0.000 0.806 52 E CB -0.419 29.274 29.700 -0.011 0.000 0.750 52 E HN 0.233 nan 8.360 nan 0.000 0.458 53 I N 0.399 120.960 120.570 -0.015 0.000 2.353 53 I HA -0.194 3.976 4.170 0.001 0.000 0.248 53 I C 2.491 178.607 176.117 -0.002 0.000 1.119 53 I CA 0.490 61.781 61.300 -0.015 0.000 1.417 53 I CB -0.068 37.913 38.000 -0.032 0.000 1.078 53 I HN -0.027 nan 8.210 nan 0.000 0.421 54 S N 0.488 116.191 115.700 0.006 0.000 2.370 54 S HA -0.264 4.207 4.470 0.001 0.000 0.226 54 S C 2.538 177.150 174.600 0.021 0.000 1.033 54 S CA 1.921 60.133 58.200 0.020 0.000 1.011 54 S CB -0.516 62.702 63.200 0.030 0.000 0.852 54 S HN 0.575 nan 8.310 nan 0.000 0.457 55 R N 1.083 121.592 120.500 0.015 0.000 2.062 55 R HA 0.296 4.636 4.340 0.001 0.000 0.229 55 R C 2.447 178.753 176.300 0.011 0.000 1.128 55 R CA 1.645 57.754 56.100 0.015 0.000 0.960 55 R CB -1.586 28.721 30.300 0.012 0.000 0.855 55 R HN 0.469 nan 8.270 nan 0.000 0.432 56 A N 0.657 123.480 122.820 0.006 0.000 2.076 56 A HA -0.109 4.212 4.320 0.001 0.000 0.220 56 A C 2.315 179.902 177.584 0.005 0.000 1.160 56 A CA 2.382 54.421 52.037 0.004 0.000 0.653 56 A CB -0.487 18.513 19.000 -0.001 0.000 0.801 56 A HN 0.777 nan 8.150 nan 0.000 0.455 57 T N -6.712 107.848 114.554 0.009 0.000 2.975 57 T HA 0.420 4.771 4.350 0.001 0.000 0.261 57 T C 1.375 176.086 174.700 0.019 0.000 0.984 57 T CA 1.055 63.161 62.100 0.010 0.000 0.911 57 T CB 0.164 69.037 68.868 0.008 0.000 1.127 57 T HN 1.693 nan 8.240 nan 0.000 0.514 58 G N 1.501 110.316 108.800 0.025 0.000 2.166 58 G HA2 -0.235 3.726 3.960 0.001 0.000 0.260 58 G HA3 -0.235 3.726 3.960 0.001 0.000 0.260 58 G C 0.082 175.011 174.900 0.047 0.000 0.986 58 G CA 0.523 45.644 45.100 0.035 0.000 0.683 58 G HN 0.804 nan 8.290 nan 0.000 0.527 59 T N 2.537 117.117 114.554 0.043 0.000 2.797 59 T HA 0.570 4.921 4.350 0.001 0.000 0.279 59 T C -2.436 172.300 174.700 0.060 0.000 0.991 59 T CA -1.122 61.009 62.100 0.051 0.000 0.979 59 T CB 2.658 71.543 68.868 0.029 0.000 0.943 59 T HN 0.083 nan 8.240 nan 0.000 0.444 60 P HA 0.177 nan 4.420 nan 0.000 0.266 60 P C -0.784 176.569 177.300 0.088 0.000 1.215 60 P CA -0.232 62.931 63.100 0.106 0.000 0.763 60 P CB 0.388 32.190 31.700 0.170 0.000 0.806 61 V N 4.224 124.174 119.914 0.060 0.000 2.294 61 V HA 0.150 4.271 4.120 0.001 0.000 0.272 61 V C 0.422 176.534 176.094 0.029 0.000 1.027 61 V CA -0.198 62.125 62.300 0.038 0.000 0.823 61 V CB 0.691 32.517 31.823 0.006 0.000 1.030 61 V HN 0.484 nan 8.190 nan 0.000 0.457 62 S N 4.050 119.770 115.700 0.033 0.000 2.585 62 S HA 0.744 5.214 4.470 0.001 0.000 0.277 62 S C -0.242 174.338 174.600 -0.034 0.000 1.241 62 S CA -0.713 57.493 58.200 0.009 0.000 1.041 62 S CB 2.097 65.303 63.200 0.010 0.000 0.987 62 S HN 0.387 nan 8.310 nan 0.000 0.512 63 V N 2.867 122.761 119.914 -0.032 0.000 2.555 63 V HA 0.622 4.742 4.120 0.001 0.000 0.302 63 V C 0.076 176.192 176.094 0.037 0.000 1.038 63 V CA -0.734 61.539 62.300 -0.045 0.000 0.887 63 V CB 1.432 33.138 31.823 -0.196 0.000 0.991 63 V HN 0.840 nan 8.190 nan 0.000 0.434 64 R N 3.078 123.638 120.500 0.099 0.000 2.817 64 R HA 0.704 5.045 4.340 0.001 0.000 0.268 64 R C -1.645 174.809 176.300 0.257 0.000 1.027 64 R CA -1.012 55.189 56.100 0.169 0.000 0.928 64 R CB 2.313 32.642 30.300 0.048 0.000 1.228 64 R HN 0.480 nan 8.270 nan 0.000 0.469 65 L N 2.064 123.387 121.223 0.166 0.000 2.322 65 L HA 0.308 4.649 4.340 0.001 0.000 0.279 65 L C 0.330 177.200 176.870 -0.001 0.000 1.036 65 L CA -0.723 54.145 54.840 0.047 0.000 0.807 65 L CB 1.798 43.814 42.059 -0.071 0.000 1.226 65 L HN 0.585 nan 8.230 nan 0.000 0.433 66 Q N 2.097 121.867 119.800 -0.049 0.000 2.330 66 Q HA 0.133 4.473 4.340 0.001 0.000 0.279 66 Q C -0.814 175.167 176.000 -0.032 0.000 1.024 66 Q CA -0.041 55.746 55.803 -0.026 0.000 0.900 66 Q CB 0.907 29.626 28.738 -0.033 0.000 1.221 66 Q HN 0.511 nan 8.270 nan 0.000 0.396 67 E N 1.538 121.745 120.200 0.012 0.000 2.280 67 E HA 0.261 4.612 4.350 0.001 0.000 0.261 67 E C -0.734 175.869 176.600 0.006 0.000 1.088 67 E CA -0.962 55.446 56.400 0.014 0.000 0.915 67 E CB 0.902 30.635 29.700 0.055 0.000 1.141 67 E HN 0.523 nan 8.360 nan 0.000 0.433 68 R N 1.818 122.318 120.500 -0.000 0.000 2.287 68 R HA 0.178 4.519 4.340 0.001 0.000 0.327 68 R C -0.262 176.046 176.300 0.013 0.000 1.109 68 R CA 0.182 56.278 56.100 -0.007 0.000 1.013 68 R CB -0.232 30.055 30.300 -0.022 0.000 1.126 68 R HN 0.575 nan 8.270 nan 0.000 0.503 69 L N 2.108 123.346 121.223 0.025 0.000 2.537 69 L HA 0.440 4.781 4.340 0.001 0.000 0.224 69 L C 1.237 178.111 176.870 0.005 0.000 1.065 69 L CA 0.156 55.017 54.840 0.036 0.000 0.860 69 L CB 0.387 42.500 42.059 0.089 0.000 1.086 69 L HN 0.702 nan 8.230 nan 0.000 0.482 70 G N -0.381 108.416 108.800 -0.005 0.000 2.642 70 G HA2 0.378 4.339 3.960 0.001 0.000 0.291 70 G HA3 0.378 4.339 3.960 0.001 0.000 0.291 70 G C 0.432 175.319 174.900 -0.022 0.000 1.345 70 G CA 0.469 45.557 45.100 -0.020 0.000 1.043 70 G HN 0.077 nan 8.290 nan 0.000 0.528 71 T N -2.188 112.351 114.554 -0.025 0.000 3.200 71 T HA 0.456 4.807 4.350 0.001 0.000 0.284 71 T C 0.290 174.977 174.700 -0.021 0.000 1.009 71 T CA -0.237 61.850 62.100 -0.022 0.000 0.907 71 T CB -0.027 68.828 68.868 -0.021 0.000 1.120 71 T HN 0.120 nan 8.240 nan 0.000 0.534 72 L N 0.824 122.032 121.223 -0.025 0.000 2.664 72 L HA 0.600 4.941 4.340 0.001 0.000 0.253 72 L C 0.706 177.563 176.870 -0.022 0.000 1.293 72 L CA -1.598 53.229 54.840 -0.021 0.000 1.280 72 L CB 0.395 42.440 42.059 -0.023 0.000 1.993 72 L HN 0.179 nan 8.230 nan 0.000 0.577 73 R N 1.174 121.662 120.500 -0.020 0.000 2.583 73 R HA 0.057 4.398 4.340 0.001 0.000 0.274 73 R C -2.225 174.050 176.300 -0.041 0.000 0.998 73 R CA -0.925 55.161 56.100 -0.022 0.000 1.081 73 R CB 0.221 30.510 30.300 -0.019 0.000 0.940 73 R HN 0.217 nan 8.270 nan 0.000 0.413 74 P HA 0.172 nan 4.420 nan 0.000 0.273 74 P C -0.704 176.594 177.300 -0.002 0.000 1.428 74 P CA -0.034 63.058 63.100 -0.012 0.000 0.995 74 P CB 1.328 33.029 31.700 0.002 0.000 1.286 75 G N 2.298 111.032 108.800 -0.110 0.000 3.253 75 G HA2 0.158 4.119 3.960 0.001 0.000 0.175 75 G HA3 0.158 4.119 3.960 0.001 0.000 0.175 75 G C 0.722 175.441 174.900 -0.302 0.000 1.098 75 G CA -0.356 44.593 45.100 -0.252 0.000 0.790 75 G HN 0.188 nan 8.290 nan 0.000 0.648 76 K N -0.328 119.746 120.400 -0.543 0.000 2.074 76 K HA -0.099 4.221 4.320 0.001 0.000 0.209 76 K C 2.416 178.855 176.600 -0.268 0.000 1.048 76 K CA 1.945 57.957 56.287 -0.459 0.000 0.926 76 K CB -0.815 31.279 32.500 -0.676 0.000 0.713 76 K HN 0.399 nan 8.250 nan 0.000 0.444 77 G N 1.207 109.852 108.800 -0.259 0.000 2.476 77 G HA2 -0.304 3.656 3.960 0.001 0.000 0.218 77 G HA3 -0.304 3.656 3.960 0.001 0.000 0.218 77 G C 1.118 175.968 174.900 -0.083 0.000 1.164 77 G CA 1.332 46.320 45.100 -0.187 0.000 0.768 77 G HN 0.329 nan 8.290 nan 0.000 0.560 78 D N 0.514 120.875 120.400 -0.066 0.000 2.097 78 D HA -0.071 4.570 4.640 0.001 0.000 0.195 78 D C 2.690 179.005 176.300 0.024 0.000 0.989 78 D CA 1.328 55.324 54.000 -0.006 0.000 0.827 78 D CB -0.839 39.950 40.800 -0.018 0.000 0.966 78 D HN 0.294 nan 8.370 nan 0.000 0.456 79 G N 0.482 109.276 108.800 -0.010 0.000 2.446 79 G HA2 -0.269 3.692 3.960 0.001 0.000 0.217 79 G HA3 -0.269 3.692 3.960 0.001 0.000 0.217 79 G C 1.688 176.650 174.900 0.104 0.000 1.168 79 G CA 0.828 45.941 45.100 0.022 0.000 0.771 79 G HN 0.226 nan 8.290 nan 0.000 0.551 80 M N 0.304 119.951 119.600 0.079 0.000 2.156 80 M HA 0.023 4.504 4.480 0.001 0.000 0.264 80 M C 2.334 178.816 176.300 0.304 0.000 1.067 80 M CA 0.815 56.221 55.300 0.177 0.000 1.131 80 M CB -0.269 32.276 32.600 -0.092 0.000 1.368 80 M HN 0.085 nan 8.290 nan 0.000 0.416 81 N N 0.037 118.885 118.700 0.245 0.000 2.289 81 N HA -0.096 4.644 4.740 0.001 0.000 0.184 81 N C 1.609 177.311 175.510 0.319 0.000 1.016 81 N CA 1.490 54.745 53.050 0.342 0.000 0.872 81 N CB -0.561 38.099 38.487 0.288 0.000 0.973 81 N HN 0.312 nan 8.380 nan 0.000 0.433 82 T N 0.922 115.612 114.554 0.227 0.000 2.708 82 T HA -0.059 4.292 4.350 0.001 0.000 0.266 82 T C 1.983 176.799 174.700 0.193 0.000 1.037 82 T CA 1.378 63.591 62.100 0.187 0.000 1.146 82 T CB -0.331 68.614 68.868 0.127 0.000 0.865 82 T HN 0.330 nan 8.240 nan 0.000 0.435 83 A N 1.235 124.189 122.820 0.223 0.000 1.940 83 A HA -0.028 4.293 4.320 0.001 0.000 0.219 83 A C 2.309 180.045 177.584 0.254 0.000 1.176 83 A CA 1.233 53.401 52.037 0.217 0.000 0.631 83 A CB -0.854 18.287 19.000 0.235 0.000 0.814 83 A HN 0.480 nan 8.150 nan 0.000 0.446 84 L N -0.871 120.522 121.223 0.283 0.000 2.017 84 L HA -0.219 4.122 4.340 0.001 0.000 0.208 84 L C 2.802 179.623 176.870 -0.081 0.000 1.073 84 L CA 1.900 56.863 54.840 0.205 0.000 0.745 84 L CB -0.577 41.642 42.059 0.266 0.000 0.894 84 L HN 0.586 nan 8.230 nan 0.000 0.432 85 R N -0.041 120.262 120.500 -0.328 0.000 2.103 85 R HA -0.288 4.052 4.340 0.001 0.000 0.242 85 R C 2.345 178.564 176.300 -0.134 0.000 1.142 85 R CA 2.072 57.840 56.100 -0.553 0.000 0.960 85 R CB -1.107 29.066 30.300 -0.212 0.000 0.858 85 R HN 0.369 nan 8.270 nan 0.000 0.439 86 Y N 0.153 120.423 120.300 -0.049 0.000 2.200 86 Y HA -0.112 4.438 4.550 0.001 0.000 0.290 86 Y C 1.866 177.798 175.900 0.053 0.000 1.137 86 Y CA 1.649 59.760 58.100 0.018 0.000 1.163 86 Y CB -0.470 38.035 38.460 0.074 0.000 0.988 86 Y HN 0.187 nan 8.280 nan 0.000 0.518 87 F N 0.384 120.414 119.950 0.134 0.000 2.134 87 F HA -0.196 4.332 4.527 0.001 0.000 0.299 87 F C 1.629 177.386 175.800 -0.071 0.000 1.097 87 F CA 1.790 59.845 58.000 0.093 0.000 1.264 87 F CB -0.628 38.436 39.000 0.106 0.000 1.001 87 F HN 0.056 nan 8.300 nan 0.000 0.479 88 L N -0.400 120.676 121.223 -0.244 0.000 2.240 88 L HA -0.047 4.293 4.340 0.001 0.000 0.211 88 L C 1.964 178.649 176.870 -0.308 0.000 1.106 88 L CA 1.270 55.894 54.840 -0.360 0.000 0.793 88 L CB -0.399 41.531 42.059 -0.216 0.000 0.927 88 L HN 0.167 nan 8.230 nan 0.000 0.446 89 E N -0.896 119.135 120.200 -0.281 0.000 2.465 89 E HA 0.018 4.369 4.350 0.001 0.000 0.209 89 E C 0.707 177.134 176.600 -0.289 0.000 0.951 89 E CA 0.122 56.383 56.400 -0.233 0.000 0.997 89 E CB 0.658 30.267 29.700 -0.152 0.000 1.025 89 E HN 0.380 nan 8.360 nan 0.000 0.500 90 E N 0.330 120.264 120.200 -0.443 0.000 2.759 90 E HA 0.055 4.406 4.350 0.001 0.000 0.220 90 E C -0.255 175.998 176.600 -0.578 0.000 0.974 90 E CA 0.023 56.111 56.400 -0.521 0.000 1.148 90 E CB 1.456 30.738 29.700 -0.696 0.000 1.059 90 E HN 0.045 nan 8.360 nan 0.000 0.493 91 T N -2.594 111.630 114.554 -0.549 0.000 2.841 91 T HA 0.317 4.668 4.350 0.001 0.000 0.296 91 T C -0.025 174.292 174.700 -0.638 0.000 1.166 91 T CA -0.668 61.053 62.100 -0.632 0.000 1.007 91 T CB 2.102 70.628 68.868 -0.571 0.000 1.253 91 T HN -0.170 nan 8.240 nan 0.000 0.511 92 Q N -0.269 119.041 119.800 -0.816 0.000 2.171 92 Q HA 0.370 4.711 4.340 0.001 0.000 0.218 92 Q C -0.828 174.964 176.000 -0.346 0.000 0.822 92 Q CA -0.593 54.885 55.803 -0.543 0.000 0.987 92 Q CB 0.110 28.584 28.738 -0.439 0.000 1.144 92 Q HN 0.733 nan 8.270 nan 0.000 0.494 93 W N 0.828 122.096 121.300 -0.054 0.000 2.209 93 W HA 0.023 4.684 4.660 0.001 0.000 0.344 93 W C 1.292 177.896 176.519 0.141 0.000 1.285 93 W CA -0.498 56.921 57.345 0.124 0.000 1.267 93 W CB 0.713 30.358 29.460 0.308 0.000 1.167 93 W HN 0.079 nan 8.180 nan 0.000 0.574 94 E N 1.328 121.823 120.200 0.492 0.000 2.400 94 E HA 0.089 4.439 4.350 0.001 0.000 0.195 94 E C 0.247 177.094 176.600 0.412 0.000 1.012 94 E CA 0.627 57.231 56.400 0.341 0.000 0.875 94 E CB 0.278 30.120 29.700 0.236 0.000 0.859 94 E HN 0.458 nan 8.360 nan 0.000 0.498 95 R N 0.084 120.850 120.500 0.444 0.000 2.673 95 R HA 0.554 4.895 4.340 0.001 0.000 0.281 95 R C -0.734 175.570 176.300 0.007 0.000 0.991 95 R CA -0.513 55.713 56.100 0.209 0.000 0.896 95 R CB 2.538 32.902 30.300 0.107 0.000 1.201 95 R HN -0.056 nan 8.270 nan 0.000 0.457 96 I N 2.233 122.578 120.570 -0.375 0.000 2.436 96 I HA 0.373 4.544 4.170 0.001 0.000 0.289 96 I C -0.674 175.192 176.117 -0.419 0.000 1.010 96 I CA -0.633 60.292 61.300 -0.625 0.000 1.098 96 I CB 1.189 38.357 38.000 -1.386 0.000 1.266 96 I HN 0.625 nan 8.210 nan 0.000 0.434 97 H N 6.794 125.604 119.070 -0.434 0.000 2.479 97 H HA 0.399 4.956 4.556 0.001 0.000 0.335 97 H C -1.429 173.491 175.328 -0.680 0.000 1.142 97 H CA -0.253 55.553 56.048 -0.404 0.000 1.234 97 H CB 1.819 31.441 29.762 -0.235 0.000 1.503 97 H HN 0.401 nan 8.280 nan 0.000 0.510 98 F N 1.709 121.415 119.950 -0.408 0.000 2.520 98 F HA 0.306 4.834 4.527 0.001 0.000 0.322 98 F C -0.772 174.579 175.800 -0.749 0.000 1.103 98 F CA -0.621 57.130 58.000 -0.417 0.000 0.926 98 F CB 1.255 40.140 39.000 -0.190 0.000 1.154 98 F HN 0.398 nan 8.300 nan 0.000 0.453 99 Y N 0.876 121.113 120.300 -0.104 0.000 2.477 99 Y HA 0.317 4.868 4.550 0.001 0.000 0.347 99 Y C -0.337 175.569 175.900 0.010 0.000 0.981 99 Y CA -1.512 56.505 58.100 -0.138 0.000 1.033 99 Y CB 1.226 39.398 38.460 -0.480 0.000 1.245 99 Y HN 0.444 nan 8.280 nan 0.000 0.455 100 D N 1.330 121.858 120.400 0.214 0.000 2.455 100 D HA 0.124 4.764 4.640 0.001 0.000 0.241 100 D C 0.996 177.407 176.300 0.186 0.000 1.138 100 D CA 0.475 54.592 54.000 0.195 0.000 0.877 100 D CB 1.529 42.428 40.800 0.164 0.000 1.187 100 D HN 0.808 nan 8.370 nan 0.000 0.451 101 A N 3.113 126.052 122.820 0.200 0.000 1.986 101 A HA -0.219 4.101 4.320 0.001 0.000 0.220 101 A C 1.202 178.752 177.584 -0.057 0.000 1.171 101 A CA 1.827 53.915 52.037 0.084 0.000 0.640 101 A CB -0.160 18.913 19.000 0.122 0.000 0.811 101 A HN 0.625 nan 8.150 nan 0.000 0.451 102 D N -0.358 120.035 120.400 -0.011 0.000 2.501 102 D HA 0.148 4.788 4.640 0.001 0.000 0.226 102 D C 0.373 176.644 176.300 -0.048 0.000 1.198 102 D CA -0.533 53.450 54.000 -0.027 0.000 0.830 102 D CB -1.123 39.691 40.800 0.023 0.000 1.014 102 D HN 0.606 nan 8.370 nan 0.000 0.496 103 I N -0.635 119.863 120.570 -0.120 0.000 2.517 103 I HA 0.172 4.343 4.170 0.001 0.000 0.285 103 I C 0.468 176.517 176.117 -0.112 0.000 1.106 103 I CA -0.241 60.963 61.300 -0.160 0.000 1.402 103 I CB 0.739 38.527 38.000 -0.354 0.000 1.399 103 I HN -0.208 nan 8.210 nan 0.000 0.535 104 T N 0.676 115.215 114.554 -0.026 0.000 3.107 104 T HA 0.030 4.381 4.350 0.001 0.000 0.249 104 T C 1.104 175.851 174.700 0.079 0.000 1.096 104 T CA 0.410 62.529 62.100 0.031 0.000 1.012 104 T CB -0.248 68.638 68.868 0.030 0.000 0.977 104 T HN 0.783 nan 8.240 nan 0.000 0.527 105 S N 0.243 115.999 115.700 0.094 0.000 2.602 105 S HA 0.379 4.850 4.470 0.001 0.000 0.240 105 S C -0.139 174.607 174.600 0.244 0.000 0.992 105 S CA -0.870 57.448 58.200 0.197 0.000 0.971 105 S CB -0.580 62.782 63.200 0.270 0.000 0.855 105 S HN 0.345 nan 8.310 nan 0.000 0.481 106 F N 3.213 123.024 119.950 -0.233 0.000 2.538 106 F HA 0.579 5.107 4.527 0.001 0.000 0.371 106 F C 0.781 176.441 175.800 -0.234 0.000 1.087 106 F CA -0.054 57.566 58.000 -0.633 0.000 1.250 106 F CB 0.279 38.852 39.000 -0.712 0.000 1.110 106 F HN 0.290 nan 8.300 nan 0.000 0.570 107 G N 5.196 113.614 108.800 -0.636 0.000 2.727 107 G HA2 0.433 4.393 3.960 0.001 0.000 0.289 107 G HA3 0.433 4.393 3.960 0.001 0.000 0.289 107 G C -2.662 171.943 174.900 -0.491 0.000 1.418 107 G CA -1.132 43.744 45.100 -0.373 0.000 0.818 107 G HN 0.289 nan 8.290 nan 0.000 0.486 108 P HA -0.028 nan 4.420 nan 0.000 0.221 108 P C 1.349 178.695 177.300 0.076 0.000 1.145 108 P CA 1.412 64.496 63.100 -0.027 0.000 0.795 108 P CB 0.137 31.860 31.700 0.039 0.000 0.775 109 D N -1.249 119.197 120.400 0.078 0.000 2.144 109 D HA -0.207 4.434 4.640 0.001 0.000 0.199 109 D C 1.476 177.882 176.300 0.176 0.000 0.984 109 D CA 1.018 55.090 54.000 0.120 0.000 0.834 109 D CB -1.165 39.682 40.800 0.078 0.000 0.955 109 D HN 0.186 nan 8.370 nan 0.000 0.465 110 W N 1.365 122.613 121.300 -0.087 0.000 2.342 110 W HA 0.053 4.714 4.660 0.001 0.000 0.297 110 W C 2.592 179.247 176.519 0.228 0.000 1.213 110 W CA 0.344 57.739 57.345 0.083 0.000 1.251 110 W CB -0.516 28.895 29.460 -0.082 0.000 1.136 110 W HN -0.001 nan 8.180 nan 0.000 0.526 111 I N -1.016 119.678 120.570 0.207 0.000 2.400 111 I HA -0.205 3.966 4.170 0.001 0.000 0.248 111 I C 2.217 178.405 176.117 0.118 0.000 1.109 111 I CA 1.403 62.747 61.300 0.073 0.000 1.425 111 I CB -1.014 36.650 38.000 -0.559 0.000 1.094 111 I HN -0.150 nan 8.210 nan 0.000 0.425 112 T N 1.095 115.745 114.554 0.160 0.000 2.652 112 T HA -0.193 4.158 4.350 0.001 0.000 0.267 112 T C 1.897 176.707 174.700 0.182 0.000 1.039 112 T CA 1.372 63.611 62.100 0.231 0.000 1.153 112 T CB -0.237 68.783 68.868 0.254 0.000 0.863 112 T HN 0.270 nan 8.240 nan 0.000 0.428 113 K N 1.103 121.609 120.400 0.178 0.000 2.063 113 K HA -0.016 4.304 4.320 0.001 0.000 0.208 113 K C 2.677 179.354 176.600 0.128 0.000 1.048 113 K CA 1.253 57.621 56.287 0.136 0.000 0.928 113 K CB -0.306 32.263 32.500 0.115 0.000 0.713 113 K HN 0.313 nan 8.250 nan 0.000 0.442 114 A N 1.661 124.604 122.820 0.205 0.000 1.873 114 A HA -0.162 4.159 4.320 0.001 0.000 0.215 114 A C 1.970 179.620 177.584 0.110 0.000 1.186 114 A CA 1.250 53.372 52.037 0.141 0.000 0.616 114 A CB -0.235 18.936 19.000 0.285 0.000 0.823 114 A HN 0.172 nan 8.150 nan 0.000 0.442 115 E N 0.130 120.435 120.200 0.176 0.000 2.077 115 E HA -0.212 4.139 4.350 0.001 0.000 0.193 115 E C 1.899 178.569 176.600 0.116 0.000 0.989 115 E CA 1.431 57.917 56.400 0.143 0.000 0.800 115 E CB -0.365 29.434 29.700 0.165 0.000 0.746 115 E HN 0.757 nan 8.360 nan 0.000 0.452 116 E N 0.553 120.820 120.200 0.111 0.000 2.118 116 E HA -0.163 4.187 4.350 0.001 0.000 0.195 116 E C 1.983 178.631 176.600 0.080 0.000 0.992 116 E CA 1.033 57.490 56.400 0.095 0.000 0.804 116 E CB -0.072 29.674 29.700 0.076 0.000 0.741 116 E HN 0.202 nan 8.360 nan 0.000 0.458 117 A N 1.089 123.918 122.820 0.014 0.000 1.968 117 A HA 0.002 4.323 4.320 0.001 0.000 0.217 117 A C 2.314 180.017 177.584 0.199 0.000 1.169 117 A CA 1.337 53.344 52.037 -0.049 0.000 0.638 117 A CB -0.380 18.455 19.000 -0.274 0.000 0.812 117 A HN 0.286 nan 8.150 nan 0.000 0.446 118 A N 0.280 123.188 122.820 0.147 0.000 1.898 118 A HA -0.160 4.160 4.320 0.001 0.000 0.216 118 A C 1.734 179.406 177.584 0.146 0.000 1.181 118 A CA 1.771 53.901 52.037 0.155 0.000 0.620 118 A CB -0.590 18.462 19.000 0.088 0.000 0.819 118 A HN 0.419 nan 8.150 nan 0.000 0.442 119 D N -0.937 119.544 120.400 0.136 0.000 2.158 119 D HA -0.177 4.464 4.640 0.001 0.000 0.197 119 D C 1.496 177.859 176.300 0.105 0.000 0.995 119 D CA 1.169 55.235 54.000 0.110 0.000 0.846 119 D CB -0.441 40.428 40.800 0.114 0.000 0.941 119 D HN 0.476 nan 8.370 nan 0.000 0.456 120 F N -0.164 119.787 119.950 0.001 0.000 2.269 120 F HA -0.006 4.522 4.527 0.001 0.000 0.301 120 F C 1.863 177.590 175.800 -0.122 0.000 1.082 120 F CA 1.665 59.641 58.000 -0.040 0.000 1.360 120 F CB 0.344 39.340 39.000 -0.006 0.000 1.041 120 F HN 0.133 nan 8.300 nan 0.000 0.512 121 G N -2.328 106.496 108.800 0.040 0.000 2.367 121 G HA2 -0.216 3.745 3.960 0.001 0.000 0.181 121 G HA3 -0.216 3.745 3.960 0.001 0.000 0.181 121 G C -0.108 174.740 174.900 -0.087 0.000 1.000 121 G CA -0.332 44.709 45.100 -0.099 0.000 0.693 121 G HN 0.201 nan 8.290 nan 0.000 0.480 122 Y N 1.060 121.419 120.300 0.097 0.000 2.397 122 Y HA 0.410 4.960 4.550 0.001 0.000 0.335 122 Y C 1.895 177.826 175.900 0.052 0.000 1.213 122 Y CA 1.110 59.261 58.100 0.084 0.000 1.391 122 Y CB 1.229 39.754 38.460 0.108 0.000 1.293 122 Y HN 0.061 nan 8.280 nan 0.000 0.557 123 G N 1.934 110.852 108.800 0.196 0.000 2.430 123 G HA2 0.001 3.962 3.960 0.001 0.000 0.216 123 G HA3 0.001 3.962 3.960 0.001 0.000 0.216 123 G C -0.363 174.592 174.900 0.092 0.000 1.146 123 G CA 0.404 45.569 45.100 0.109 0.000 0.793 123 G HN 0.411 nan 8.290 nan 0.000 0.537 124 L N 0.669 121.961 121.223 0.116 0.000 2.438 124 L HA 0.646 4.986 4.340 0.001 0.000 0.270 124 L C -1.163 175.734 176.870 0.045 0.000 0.972 124 L CA -0.848 54.020 54.840 0.048 0.000 0.831 124 L CB 2.550 44.615 42.059 0.011 0.000 1.273 124 L HN -0.140 nan 8.230 nan 0.000 0.405 125 V N 5.338 125.252 119.914 0.000 0.000 2.384 125 V HA 0.601 4.722 4.120 0.001 0.000 0.287 125 V C -0.185 175.868 176.094 -0.067 0.000 1.020 125 V CA -0.604 61.672 62.300 -0.039 0.000 0.850 125 V CB 1.439 33.228 31.823 -0.056 0.000 0.987 125 V HN 0.703 nan 8.190 nan 0.000 0.436 126 R N 3.074 123.525 120.500 -0.082 0.000 2.393 126 R HA 0.602 4.943 4.340 0.001 0.000 0.310 126 R C -0.950 175.297 176.300 -0.087 0.000 0.968 126 R CA -0.908 55.176 56.100 -0.026 0.000 0.867 126 R CB 1.386 31.675 30.300 -0.018 0.000 1.124 126 R HN 0.729 nan 8.270 nan 0.000 0.450 127 H N 1.661 120.739 119.070 0.014 0.000 2.551 127 H HA 0.235 4.792 4.556 0.001 0.000 0.358 127 H C -0.612 174.516 175.328 -0.334 0.000 1.151 127 H CA -0.089 55.900 56.048 -0.098 0.000 1.374 127 H CB 0.553 30.330 29.762 0.026 0.000 1.473 127 H HN 0.584 nan 8.280 nan 0.000 0.574 128 Y N 0.060 120.018 120.300 -0.569 0.000 2.562 128 Y HA 0.651 5.202 4.550 0.001 0.000 0.345 128 Y C -2.227 173.239 175.900 -0.723 0.000 1.045 128 Y CA -1.864 55.805 58.100 -0.719 0.000 1.028 128 Y CB 0.940 39.245 38.460 -0.257 0.000 1.297 128 Y HN 0.390 nan 8.280 nan 0.000 0.463 129 F N 1.753 121.661 119.950 -0.069 0.000 2.613 129 F HA 0.741 5.269 4.527 0.001 0.000 0.314 129 F C -2.601 173.213 175.800 0.024 0.000 1.075 129 F CA -2.895 54.962 58.000 -0.238 0.000 0.945 129 F CB 1.544 40.506 39.000 -0.063 0.000 1.310 129 F HN 0.325 nan 8.300 nan 0.000 0.467 130 P HA 0.326 nan 4.420 nan 0.000 0.271 130 P C -1.000 176.486 177.300 0.311 0.000 1.216 130 P CA -0.213 63.078 63.100 0.318 0.000 0.776 130 P CB 1.154 32.985 31.700 0.218 0.000 0.881 131 R N 0.890 121.615 120.500 0.375 0.000 2.771 131 R HA 0.665 5.005 4.340 0.001 0.000 0.274 131 R C -0.400 176.138 176.300 0.397 0.000 0.987 131 R CA -0.877 55.426 56.100 0.339 0.000 0.908 131 R CB 2.243 32.747 30.300 0.341 0.000 1.213 131 R HN 0.552 nan 8.270 nan 0.000 0.468 132 A N 0.575 123.582 122.820 0.311 0.000 2.366 132 A HA 0.138 4.459 4.320 0.001 0.000 0.249 132 A C 1.106 178.857 177.584 0.278 0.000 1.084 132 A CA 0.213 52.450 52.037 0.333 0.000 0.794 132 A CB 0.388 19.517 19.000 0.215 0.000 1.034 132 A HN 0.914 nan 8.150 nan 0.000 0.491 133 S N -0.331 115.506 115.700 0.229 0.000 2.474 133 S HA -0.130 4.341 4.470 0.001 0.000 0.235 133 S C 1.190 175.915 174.600 0.209 0.000 0.997 133 S CA 1.593 59.848 58.200 0.092 0.000 0.949 133 S CB -0.712 62.489 63.200 0.001 0.000 0.766 133 S HN 1.227 nan 8.310 nan 0.000 0.517 134 T N -2.008 112.671 114.554 0.208 0.000 3.092 134 T HA 0.277 4.627 4.350 0.001 0.000 0.258 134 T C -0.055 174.787 174.700 0.238 0.000 1.031 134 T CA -0.532 61.726 62.100 0.264 0.000 0.925 134 T CB -0.065 68.970 68.868 0.278 0.000 1.036 134 T HN 0.103 nan 8.240 nan 0.000 0.544 135 D N 1.469 121.998 120.400 0.214 0.000 2.423 135 D HA 0.576 5.217 4.640 0.001 0.000 0.255 135 D C 1.036 177.467 176.300 0.218 0.000 1.174 135 D CA 0.427 54.549 54.000 0.205 0.000 1.008 135 D CB 0.843 41.772 40.800 0.214 0.000 1.101 135 D HN 0.290 nan 8.370 nan 0.000 0.516 136 A N 0.314 123.258 122.820 0.208 0.000 2.872 136 A HA -0.218 4.102 4.320 0.001 0.000 0.273 136 A C 1.450 179.191 177.584 0.261 0.000 1.442 136 A CA 0.886 53.054 52.037 0.218 0.000 0.801 136 A CB -1.732 17.431 19.000 0.272 0.000 1.031 136 A HN 0.432 nan 8.150 nan 0.000 0.582 137 M N -1.247 118.486 119.600 0.222 0.000 2.394 137 M HA 0.039 4.520 4.480 0.001 0.000 0.264 137 M C 1.976 178.531 176.300 0.426 0.000 1.073 137 M CA 1.483 56.923 55.300 0.234 0.000 1.111 137 M CB -0.771 31.872 32.600 0.072 0.000 1.401 137 M HN 0.714 nan 8.290 nan 0.000 0.448 138 I N -0.659 120.080 120.570 0.283 0.000 2.339 138 I HA -0.182 3.989 4.170 0.001 0.000 0.245 138 I C 2.264 178.401 176.117 0.033 0.000 1.096 138 I CA 0.968 62.315 61.300 0.078 0.000 1.408 138 I CB -0.664 37.245 38.000 -0.151 0.000 1.092 138 I HN 0.199 nan 8.210 nan 0.000 0.423 139 T N 0.334 114.873 114.554 -0.025 0.000 2.624 139 T HA -0.256 4.095 4.350 0.001 0.000 0.268 139 T C 1.457 176.032 174.700 -0.208 0.000 1.041 139 T CA 2.156 64.154 62.100 -0.169 0.000 1.159 139 T CB -0.443 68.278 68.868 -0.245 0.000 0.863 139 T HN 0.384 nan 8.240 nan 0.000 0.434 140 W N 0.495 121.769 121.300 -0.043 0.000 2.408 140 W HA 0.085 4.746 4.660 0.001 0.000 0.311 140 W C 2.462 178.988 176.519 0.012 0.000 1.190 140 W CA 0.318 57.614 57.345 -0.082 0.000 1.321 140 W CB -0.209 29.133 29.460 -0.197 0.000 1.143 140 W HN 0.128 nan 8.180 nan 0.000 0.501 141 M N -0.929 118.863 119.600 0.321 0.000 2.476 141 M HA 0.019 4.500 4.480 0.001 0.000 0.262 141 M C 1.457 178.147 176.300 0.651 0.000 1.111 141 M CA 1.065 56.600 55.300 0.393 0.000 1.127 141 M CB -0.788 31.885 32.600 0.121 0.000 1.376 141 M HN 0.035 nan 8.290 nan 0.000 0.465 142 I N -0.973 119.842 120.570 0.409 0.000 3.196 142 I HA 0.003 4.174 4.170 0.001 0.000 0.248 142 I C 2.053 178.263 176.117 0.155 0.000 1.105 142 I CA 1.056 62.601 61.300 0.408 0.000 1.482 142 I CB -1.248 36.855 38.000 0.172 0.000 1.400 142 I HN 0.135 nan 8.210 nan 0.000 0.464 143 T N 1.725 116.234 114.554 -0.075 0.000 2.668 143 T HA -0.060 4.291 4.350 0.001 0.000 0.258 143 T C 2.009 176.407 174.700 -0.503 0.000 1.051 143 T CA 1.157 63.025 62.100 -0.387 0.000 1.155 143 T CB -0.266 68.373 68.868 -0.382 0.000 0.864 143 T HN 0.182 nan 8.240 nan 0.000 0.413 144 R N 0.727 121.056 120.500 -0.285 0.000 2.105 144 R HA -0.065 4.276 4.340 0.001 0.000 0.239 144 R C 2.724 179.002 176.300 -0.037 0.000 1.135 144 R CA 1.539 57.550 56.100 -0.148 0.000 0.967 144 R CB -0.805 29.344 30.300 -0.251 0.000 0.861 144 R HN 0.320 nan 8.270 nan 0.000 0.442 145 T N 0.044 114.591 114.554 -0.011 0.000 2.708 145 T HA -0.111 4.239 4.350 0.001 0.000 0.266 145 T C 1.896 176.372 174.700 -0.373 0.000 1.037 145 T CA 1.568 63.642 62.100 -0.043 0.000 1.146 145 T CB -0.456 68.441 68.868 0.049 0.000 0.865 145 T HN 0.552 nan 8.240 nan 0.000 0.435 146 G N 0.825 109.370 108.800 -0.424 0.000 2.421 146 G HA2 -0.148 3.813 3.960 0.001 0.000 0.216 146 G HA3 -0.148 3.813 3.960 0.001 0.000 0.216 146 G C 1.251 176.152 174.900 0.003 0.000 1.171 146 G CA 0.366 45.246 45.100 -0.367 0.000 0.775 146 G HN 0.376 nan 8.290 nan 0.000 0.543 147 F N 1.963 121.976 119.950 0.105 0.000 2.154 147 F HA -0.039 4.488 4.527 0.001 0.000 0.301 147 F C 2.987 178.881 175.800 0.156 0.000 1.087 147 F CA 0.360 58.539 58.000 0.298 0.000 1.274 147 F CB -0.961 38.168 39.000 0.214 0.000 1.009 147 F HN 0.278 nan 8.300 nan 0.000 0.485 148 A N -0.324 122.613 122.820 0.193 0.000 1.929 148 A HA -0.041 4.280 4.320 0.001 0.000 0.216 148 A C 2.262 179.846 177.584 0.000 0.000 1.176 148 A CA 1.039 53.131 52.037 0.092 0.000 0.628 148 A CB -0.875 18.181 19.000 0.095 0.000 0.816 148 A HN 0.369 nan 8.150 nan 0.000 0.444 149 L N -1.060 120.075 121.223 -0.146 0.000 2.341 149 L HA 0.073 4.414 4.340 0.001 0.000 0.214 149 L C 2.116 178.837 176.870 -0.248 0.000 1.115 149 L CA 0.366 55.071 54.840 -0.225 0.000 0.820 149 L CB -0.120 41.662 42.059 -0.462 0.000 0.944 149 L HN 0.328 nan 8.230 nan 0.000 0.452 150 L N -2.137 118.866 121.223 -0.366 0.000 2.388 150 L HA 0.062 4.403 4.340 0.001 0.000 0.209 150 L C 0.454 176.784 176.870 -0.900 0.000 1.061 150 L CA 0.216 54.568 54.840 -0.814 0.000 0.834 150 L CB 0.227 41.366 42.059 -1.532 0.000 1.029 150 L HN 0.285 nan 8.230 nan 0.000 0.473 151 W N 0.939 122.306 121.300 0.111 0.000 1.950 151 W HA 0.306 4.967 4.660 0.001 0.000 0.289 151 W C -1.979 174.589 176.519 0.081 0.000 0.883 151 W CA -1.369 56.039 57.345 0.106 0.000 2.031 151 W CB -0.037 29.487 29.460 0.106 0.000 2.266 151 W HN -0.029 nan 8.180 nan 0.000 0.400 152 P HA -0.182 nan 4.420 nan 0.000 0.223 152 P C 1.021 178.343 177.300 0.037 0.000 1.151 152 P CA 1.574 64.693 63.100 0.032 0.000 0.787 152 P CB 0.298 31.919 31.700 -0.133 0.000 0.788 153 H N -0.419 118.777 119.070 0.210 0.000 2.548 153 H HA 0.106 4.663 4.556 0.001 0.000 0.265 153 H C 1.169 176.607 175.328 0.184 0.000 0.969 153 H CA 0.814 56.972 56.048 0.184 0.000 1.155 153 H CB -0.026 29.814 29.762 0.130 0.000 1.394 153 H HN 0.258 nan 8.280 nan 0.000 0.570 154 T N -1.685 113.047 114.554 0.295 0.000 2.884 154 T HA 0.130 4.481 4.350 0.001 0.000 0.277 154 T C 1.264 176.112 174.700 0.247 0.000 0.976 154 T CA -0.744 61.471 62.100 0.192 0.000 0.956 154 T CB 1.889 70.813 68.868 0.093 0.000 1.113 154 T HN -0.103 nan 8.240 nan 0.000 0.554 155 E N -0.039 120.237 120.200 0.127 0.000 2.418 155 E HA 0.074 4.425 4.350 0.001 0.000 0.197 155 E C 1.948 178.640 176.600 0.154 0.000 1.026 155 E CA 0.230 56.740 56.400 0.184 0.000 0.862 155 E CB -0.491 29.210 29.700 0.002 0.000 0.799 155 E HN 0.604 nan 8.360 nan 0.000 0.518 156 L N 0.958 122.168 121.223 -0.022 0.000 1.989 156 L HA -0.221 4.120 4.340 0.001 0.000 0.211 156 L C 2.397 179.280 176.870 0.022 0.000 1.071 156 L CA 1.833 56.500 54.840 -0.289 0.000 0.749 156 L CB -0.568 41.100 42.059 -0.652 0.000 0.890 156 L HN 0.135 nan 8.230 nan 0.000 0.431 157 S N -2.014 113.789 115.700 0.172 0.000 2.555 157 S HA -0.140 4.331 4.470 0.001 0.000 0.230 157 S C 1.289 175.855 174.600 -0.057 0.000 0.978 157 S CA 0.153 58.426 58.200 0.123 0.000 0.934 157 S CB -0.588 62.628 63.200 0.026 0.000 0.766 157 S HN 0.481 nan 8.310 nan 0.000 0.533 158 W N 1.371 122.731 121.300 0.100 0.000 3.077 158 W HA 0.485 5.146 4.660 0.001 0.000 0.266 158 W C 0.384 176.982 176.519 0.131 0.000 1.300 158 W CA -0.946 56.481 57.345 0.137 0.000 1.586 158 W CB -0.087 29.487 29.460 0.190 0.000 1.103 158 W HN 0.148 nan 8.180 nan 0.000 0.652 159 I N 2.019 122.697 120.570 0.179 0.000 2.618 159 I HA -0.090 4.081 4.170 0.001 0.000 0.284 159 I C 1.601 177.689 176.117 -0.047 0.000 1.146 159 I CA 0.128 61.437 61.300 0.015 0.000 1.425 159 I CB 1.007 38.938 38.000 -0.115 0.000 1.383 159 I HN -0.030 nan 8.210 nan 0.000 0.562 160 E N 4.109 124.230 120.200 -0.132 0.000 2.028 160 E HA -0.108 4.242 4.350 0.001 0.000 0.190 160 E C 0.361 176.851 176.600 -0.184 0.000 0.984 160 E CA 1.342 57.611 56.400 -0.218 0.000 0.800 160 E CB 0.080 29.496 29.700 -0.474 0.000 0.758 160 E HN 0.597 nan 8.360 nan 0.000 0.448 161 Q N 0.543 120.273 119.800 -0.116 0.000 2.788 161 Q HA 0.144 4.485 4.340 0.001 0.000 0.261 161 Q C -1.983 174.003 176.000 -0.023 0.000 1.029 161 Q CA -1.321 54.443 55.803 -0.066 0.000 0.848 161 Q CB 1.614 30.339 28.738 -0.020 0.000 1.185 161 Q HN 0.014 nan 8.270 nan 0.000 0.482 162 P HA -0.133 nan 4.420 nan 0.000 0.226 162 P C 0.551 177.889 177.300 0.064 0.000 1.153 162 P CA 0.931 64.075 63.100 0.073 0.000 0.777 162 P CB 0.439 32.256 31.700 0.196 0.000 0.794 163 L N -1.453 119.784 121.223 0.023 0.000 2.585 163 L HA 0.256 4.597 4.340 0.001 0.000 0.226 163 L C 1.404 178.321 176.870 0.079 0.000 1.113 163 L CA -0.238 54.621 54.840 0.033 0.000 0.876 163 L CB -0.507 41.542 42.059 -0.017 0.000 1.072 163 L HN -0.072 nan 8.230 nan 0.000 0.468 164 G N -0.256 108.599 108.800 0.092 0.000 2.398 164 G HA2 0.282 4.242 3.960 0.001 0.000 0.246 164 G HA3 0.282 4.242 3.960 0.001 0.000 0.246 164 G C 0.816 175.814 174.900 0.163 0.000 1.289 164 G CA 0.058 45.251 45.100 0.155 0.000 0.869 164 G HN 0.262 nan 8.290 nan 0.000 0.543 165 G N 0.989 109.912 108.800 0.205 0.000 3.371 165 G HA2 0.316 4.277 3.960 0.001 0.000 0.248 165 G HA3 0.316 4.277 3.960 0.001 0.000 0.248 165 G C 0.162 175.169 174.900 0.177 0.000 1.161 165 G CA -0.221 44.975 45.100 0.160 0.000 0.796 165 G HN 0.522 nan 8.290 nan 0.000 0.539 166 E N 0.413 120.761 120.200 0.248 0.000 2.114 166 E HA 0.580 4.930 4.350 0.001 0.000 0.266 166 E C -0.473 176.308 176.600 0.301 0.000 0.896 166 E CA -0.473 56.061 56.400 0.224 0.000 0.750 166 E CB 1.711 31.713 29.700 0.502 0.000 1.121 166 E HN 0.302 nan 8.360 nan 0.000 0.413 167 L N 0.466 121.775 121.223 0.143 0.000 2.775 167 L HA 0.652 4.992 4.340 0.001 0.000 0.263 167 L C -1.898 174.991 176.870 0.031 0.000 1.017 167 L CA -1.044 53.903 54.840 0.177 0.000 0.891 167 L CB 1.099 43.227 42.059 0.115 0.000 1.482 167 L HN 0.439 nan 8.230 nan 0.000 0.410 168 L N 1.219 122.415 121.223 -0.045 0.000 2.408 168 L HA 0.844 5.185 4.340 0.001 0.000 0.268 168 L C -1.398 175.402 176.870 -0.116 0.000 0.986 168 L CA -0.524 54.190 54.840 -0.211 0.000 0.820 168 L CB 1.958 43.772 42.059 -0.409 0.000 1.303 168 L HN 0.852 nan 8.230 nan 0.000 0.411 169 M N 3.714 123.237 119.600 -0.127 0.000 2.535 169 M HA 0.561 5.042 4.480 0.001 0.000 0.314 169 M C -0.541 175.741 176.300 -0.029 0.000 1.153 169 M CA -0.690 54.571 55.300 -0.065 0.000 0.924 169 M CB 2.345 34.905 32.600 -0.067 0.000 1.710 169 M HN 0.527 nan 8.290 nan 0.000 0.451 170 R N 0.593 121.116 120.500 0.039 0.000 2.641 170 R HA 0.185 4.526 4.340 0.001 0.000 0.269 170 R C 1.263 177.672 176.300 0.182 0.000 1.074 170 R CA -0.177 55.985 56.100 0.104 0.000 1.133 170 R CB 0.656 31.009 30.300 0.088 0.000 1.029 170 R HN 0.657 nan 8.270 nan 0.000 0.488 171 R N 2.114 122.782 120.500 0.280 0.000 2.113 171 R HA -0.236 4.105 4.340 0.001 0.000 0.244 171 R C 1.611 178.033 176.300 0.203 0.000 1.142 171 R CA 2.318 58.625 56.100 0.344 0.000 0.953 171 R CB -0.080 30.323 30.300 0.172 0.000 0.860 171 R HN 0.751 nan 8.270 nan 0.000 0.438 172 E N 0.118 120.390 120.200 0.120 0.000 2.204 172 E HA -0.106 4.244 4.350 0.001 0.000 0.194 172 E C 1.932 178.578 176.600 0.078 0.000 0.989 172 E CA 1.216 57.664 56.400 0.080 0.000 0.824 172 E CB -0.259 29.471 29.700 0.050 0.000 0.756 172 E HN 0.331 nan 8.360 nan 0.000 0.477 173 V N 2.066 122.026 119.914 0.077 0.000 2.323 173 V HA -0.169 3.952 4.120 0.001 0.000 0.244 173 V C 2.735 178.863 176.094 0.057 0.000 1.041 173 V CA 1.714 64.042 62.300 0.047 0.000 1.025 173 V CB -0.834 31.003 31.823 0.023 0.000 0.656 173 V HN 0.410 nan 8.190 nan 0.000 0.451 174 A N 0.342 123.227 122.820 0.108 0.000 1.865 174 A HA -0.197 4.124 4.320 0.001 0.000 0.217 174 A C 2.460 180.163 177.584 0.198 0.000 1.191 174 A CA 2.430 54.559 52.037 0.154 0.000 0.623 174 A CB -1.003 18.178 19.000 0.302 0.000 0.826 174 A HN 0.578 nan 8.150 nan 0.000 0.444 175 A N -0.739 122.196 122.820 0.191 0.000 1.892 175 A HA -0.225 4.096 4.320 0.001 0.000 0.218 175 A C 2.254 179.933 177.584 0.157 0.000 1.188 175 A CA 2.344 54.483 52.037 0.170 0.000 0.631 175 A CB -0.586 18.475 19.000 0.102 0.000 0.822 175 A HN 0.592 nan 8.150 nan 0.000 0.447 176 M N -0.255 119.409 119.600 0.106 0.000 2.117 176 M HA -0.101 4.379 4.480 0.001 0.000 0.262 176 M C 1.950 178.302 176.300 0.087 0.000 1.065 176 M CA 1.791 57.137 55.300 0.076 0.000 1.114 176 M CB -0.850 31.778 32.600 0.046 0.000 1.361 176 M HN 0.431 nan 8.290 nan 0.000 0.408 177 L N -1.104 120.177 121.223 0.098 0.000 2.027 177 L HA -0.223 4.118 4.340 0.001 0.000 0.206 177 L C 2.571 179.551 176.870 0.184 0.000 1.074 177 L CA 1.275 56.185 54.840 0.115 0.000 0.745 177 L CB -1.139 40.937 42.059 0.027 0.000 0.898 177 L HN 0.238 nan 8.230 nan 0.000 0.433 178 Y N 1.204 121.563 120.300 0.098 0.000 2.207 178 Y HA -0.283 4.268 4.550 0.001 0.000 0.287 178 Y C 2.422 178.374 175.900 0.086 0.000 1.156 178 Y CA 1.679 59.848 58.100 0.115 0.000 1.182 178 Y CB -0.002 38.533 38.460 0.126 0.000 0.979 178 Y HN 0.126 nan 8.280 nan 0.000 0.521 179 E N 0.425 120.654 120.200 0.048 0.000 2.347 179 E HA -0.083 4.268 4.350 0.001 0.000 0.196 179 E C 0.089 176.661 176.600 -0.047 0.000 1.008 179 E CA 0.484 56.865 56.400 -0.031 0.000 0.852 179 E CB -0.324 29.402 29.700 0.044 0.000 0.783 179 E HN 0.330 nan 8.360 nan 0.000 0.505 180 D N 0.409 120.804 120.400 -0.010 0.000 2.317 180 D HA -0.042 4.598 4.640 0.001 0.000 0.252 180 D C 0.838 177.124 176.300 -0.024 0.000 1.174 180 D CA 0.062 54.064 54.000 0.003 0.000 0.866 180 D CB 0.866 41.693 40.800 0.045 0.000 1.127 180 D HN 0.258 nan 8.370 nan 0.000 0.467 181 E N 3.521 123.703 120.200 -0.029 0.000 2.150 181 E HA -0.192 4.159 4.350 0.001 0.000 0.193 181 E C 1.478 178.063 176.600 -0.026 0.000 0.985 181 E CA 0.525 56.901 56.400 -0.041 0.000 0.814 181 E CB 0.031 29.710 29.700 -0.035 0.000 0.752 181 E HN 0.318 nan 8.360 nan 0.000 0.466 182 R N 0.768 121.263 120.500 -0.008 0.000 2.105 182 R HA -0.101 4.240 4.340 0.001 0.000 0.239 182 R C 2.285 178.581 176.300 -0.006 0.000 1.135 182 R CA 1.519 57.614 56.100 -0.008 0.000 0.967 182 R CB -0.252 30.050 30.300 0.003 0.000 0.861 182 R HN 0.117 nan 8.270 nan 0.000 0.442 183 V N -0.228 119.698 119.914 0.020 0.000 2.446 183 V HA -0.075 4.046 4.120 0.001 0.000 0.244 183 V C 2.144 178.248 176.094 0.016 0.000 1.039 183 V CA 1.365 63.691 62.300 0.044 0.000 1.045 183 V CB -0.336 31.578 31.823 0.152 0.000 0.681 183 V HN 0.137 nan 8.190 nan 0.000 0.459 184 R N 1.343 121.836 120.500 -0.012 0.000 2.120 184 R HA -0.157 4.184 4.340 0.001 0.000 0.234 184 R C 2.373 178.652 176.300 -0.034 0.000 1.123 184 R CA 1.768 57.842 56.100 -0.044 0.000 0.975 184 R CB -0.463 29.755 30.300 -0.136 0.000 0.866 184 R HN 0.638 nan 8.270 nan 0.000 0.446 185 R N -0.812 119.666 120.500 -0.037 0.000 2.193 185 R HA 0.049 4.389 4.340 0.001 0.000 0.213 185 R C 0.525 176.800 176.300 -0.041 0.000 1.055 185 R CA 0.543 56.622 56.100 -0.036 0.000 0.995 185 R CB -0.087 30.192 30.300 -0.034 0.000 0.893 185 R HN -0.139 nan 8.270 nan 0.000 0.459 186 R N 1.864 122.332 120.500 -0.052 0.000 3.247 186 R HA 0.045 4.385 4.340 0.001 0.000 0.212 186 R C 0.406 176.651 176.300 -0.093 0.000 1.604 186 R CA 0.278 56.335 56.100 -0.073 0.000 1.279 186 R CB 0.184 30.429 30.300 -0.092 0.000 1.277 186 R HN 0.471 nan 8.270 nan 0.000 0.669 187 S N -0.388 115.267 115.700 -0.076 0.000 2.562 187 S HA -0.053 4.417 4.470 0.001 0.000 0.221 187 S C 0.624 175.144 174.600 -0.134 0.000 0.975 187 S CA 0.182 58.330 58.200 -0.086 0.000 0.918 187 S CB -0.217 62.949 63.200 -0.057 0.000 0.772 187 S HN 0.590 nan 8.310 nan 0.000 0.531 188 D N -0.064 120.256 120.400 -0.133 0.000 2.509 188 D HA 0.185 4.825 4.640 0.001 0.000 0.275 188 D C 0.625 176.797 176.300 -0.212 0.000 1.189 188 D CA -1.056 52.835 54.000 -0.181 0.000 1.098 188 D CB -0.686 40.069 40.800 -0.074 0.000 1.177 188 D HN 0.237 nan 8.370 nan 0.000 0.599 189 W N -0.310 120.943 121.300 -0.079 0.000 2.525 189 W HA 0.182 4.843 4.660 0.001 0.000 0.259 189 W C 2.250 178.702 176.519 -0.112 0.000 1.253 189 W CA 0.539 57.828 57.345 -0.092 0.000 1.262 189 W CB -0.014 29.399 29.460 -0.080 0.000 1.122 189 W HN 0.558 nan 8.180 nan 0.000 0.607 190 G N 0.176 109.029 108.800 0.088 0.000 2.559 190 G HA2 -0.243 3.718 3.960 0.001 0.000 0.216 190 G HA3 -0.243 3.718 3.960 0.001 0.000 0.216 190 G C 1.304 176.155 174.900 -0.082 0.000 1.126 190 G CA 0.537 45.638 45.100 0.002 0.000 0.778 190 G HN 0.194 nan 8.290 nan 0.000 0.543 191 I N 1.393 121.867 120.570 -0.160 0.000 2.194 191 I HA -0.185 3.986 4.170 0.001 0.000 0.246 191 I C 2.035 177.875 176.117 -0.463 0.000 1.093 191 I CA 1.488 62.561 61.300 -0.378 0.000 1.355 191 I CB -0.108 37.601 38.000 -0.484 0.000 1.046 191 I HN 0.112 nan 8.210 nan 0.000 0.413 192 D N -0.511 119.751 120.400 -0.230 0.000 2.117 192 D HA -0.162 4.478 4.640 0.001 0.000 0.197 192 D C 2.088 178.396 176.300 0.014 0.000 0.987 192 D CA 1.966 55.906 54.000 -0.102 0.000 0.829 192 D CB -0.332 40.479 40.800 0.019 0.000 0.961 192 D HN 0.370 nan 8.370 nan 0.000 0.460 193 T N 1.932 116.499 114.554 0.023 0.000 2.720 193 T HA -0.125 4.225 4.350 0.001 0.000 0.268 193 T C 1.994 176.791 174.700 0.163 0.000 1.037 193 T CA 0.458 62.625 62.100 0.112 0.000 1.144 193 T CB -0.098 68.789 68.868 0.032 0.000 0.864 193 T HN 0.067 nan 8.240 nan 0.000 0.444 194 L N -0.165 121.085 121.223 0.045 0.000 2.027 194 L HA -0.048 4.293 4.340 0.001 0.000 0.206 194 L C 2.470 179.466 176.870 0.211 0.000 1.074 194 L CA 1.864 56.754 54.840 0.082 0.000 0.745 194 L CB -1.200 40.847 42.059 -0.020 0.000 0.898 194 L HN 0.288 nan 8.230 nan 0.000 0.433 195 Y N 0.740 121.067 120.300 0.045 0.000 2.114 195 Y HA -0.250 4.301 4.550 0.001 0.000 0.282 195 Y C 2.895 178.804 175.900 0.014 0.000 1.165 195 Y CA 1.524 59.634 58.100 0.017 0.000 1.148 195 Y CB -1.579 36.866 38.460 -0.025 0.000 0.972 195 Y HN 0.220 nan 8.280 nan 0.000 0.504 196 T N 0.289 114.972 114.554 0.215 0.000 2.746 196 T HA -0.206 4.145 4.350 0.001 0.000 0.267 196 T C 1.764 176.454 174.700 -0.017 0.000 1.039 196 T CA 1.441 63.599 62.100 0.095 0.000 1.142 196 T CB -0.746 68.218 68.868 0.160 0.000 0.866 196 T HN 0.300 nan 8.240 nan 0.000 0.444 197 F N 1.474 121.373 119.950 -0.084 0.000 2.113 197 F HA -0.078 4.450 4.527 0.001 0.000 0.297 197 F C 2.207 177.878 175.800 -0.214 0.000 1.103 197 F CA 0.891 58.738 58.000 -0.255 0.000 1.248 197 F CB -0.337 38.542 39.000 -0.200 0.000 0.999 197 F HN -0.105 nan 8.300 nan 0.000 0.475 198 V N 0.322 120.269 119.914 0.055 0.000 2.379 198 V HA -0.261 3.860 4.120 0.001 0.000 0.245 198 V C 2.570 178.588 176.094 -0.126 0.000 1.044 198 V CA 2.102 64.401 62.300 -0.001 0.000 1.036 198 V CB -1.272 30.627 31.823 0.127 0.000 0.664 198 V HN 0.609 nan 8.190 nan 0.000 0.453 199 T N -1.375 113.124 114.554 -0.092 0.000 2.684 199 T HA -0.210 4.141 4.350 0.001 0.000 0.267 199 T C 1.844 176.428 174.700 -0.193 0.000 1.036 199 T CA 1.868 63.901 62.100 -0.110 0.000 1.148 199 T CB -0.790 68.032 68.868 -0.077 0.000 0.863 199 T HN 0.228 nan 8.240 nan 0.000 0.436 200 V N 2.057 121.789 119.914 -0.304 0.000 2.295 200 V HA -0.213 3.908 4.120 0.001 0.000 0.246 200 V C 2.977 178.824 176.094 -0.410 0.000 1.049 200 V CA 2.219 64.296 62.300 -0.372 0.000 1.024 200 V CB -0.976 30.552 31.823 -0.491 0.000 0.648 200 V HN 0.575 nan 8.190 nan 0.000 0.447 201 Q N -0.483 118.963 119.800 -0.590 0.000 2.135 201 Q HA -0.243 4.098 4.340 0.001 0.000 0.204 201 Q C 1.930 177.778 176.000 -0.255 0.000 0.981 201 Q CA 1.464 56.960 55.803 -0.512 0.000 0.856 201 Q CB -0.010 28.377 28.738 -0.586 0.000 0.902 201 Q HN 0.584 nan 8.270 nan 0.000 0.425 202 Q N -1.010 118.675 119.800 -0.191 0.000 2.322 202 Q HA 0.095 4.435 4.340 0.001 0.000 0.203 202 Q C 0.609 176.556 176.000 -0.089 0.000 0.923 202 Q CA 0.685 56.423 55.803 -0.108 0.000 0.949 202 Q CB 0.787 29.483 28.738 -0.070 0.000 1.039 202 Q HN 0.594 nan 8.270 nan 0.000 0.496 203 G N 0.898 109.631 108.800 -0.111 0.000 2.225 203 G HA2 -0.275 3.685 3.960 0.001 0.000 0.267 203 G HA3 -0.275 3.685 3.960 0.001 0.000 0.267 203 G C 0.323 175.195 174.900 -0.046 0.000 1.024 203 G CA 0.320 45.375 45.100 -0.075 0.000 0.784 203 G HN 0.263 nan 8.290 nan 0.000 0.507 204 V N 1.214 121.098 119.914 -0.051 0.000 2.655 204 V HA 0.427 4.547 4.120 0.001 0.000 0.300 204 V C 1.265 177.369 176.094 0.018 0.000 1.044 204 V CA 0.346 62.637 62.300 -0.014 0.000 1.095 204 V CB 1.386 33.197 31.823 -0.021 0.000 0.952 204 V HN 0.952 nan 8.190 nan 0.000 0.485 205 S N 5.605 121.349 115.700 0.073 0.000 2.513 205 S HA 0.715 5.186 4.470 0.001 0.000 0.276 205 S C -0.699 174.068 174.600 0.278 0.000 1.254 205 S CA -0.637 57.662 58.200 0.166 0.000 1.053 205 S CB 0.679 63.965 63.200 0.144 0.000 0.958 205 S HN 0.464 nan 8.310 nan 0.000 0.491 206 I N 2.990 123.731 120.570 0.285 0.000 2.465 206 I HA 0.393 4.564 4.170 0.001 0.000 0.291 206 I C -1.077 175.112 176.117 0.121 0.000 1.014 206 I CA -0.854 60.549 61.300 0.171 0.000 1.093 206 I CB 1.595 39.594 38.000 -0.001 0.000 1.267 206 I HN 0.738 nan 8.210 nan 0.000 0.431 207 Y N 5.192 125.280 120.300 -0.353 0.000 2.393 207 Y HA 0.425 4.976 4.550 0.001 0.000 0.341 207 Y C -0.506 175.232 175.900 -0.270 0.000 0.988 207 Y CA -0.631 57.109 58.100 -0.600 0.000 1.078 207 Y CB 1.529 39.194 38.460 -1.325 0.000 1.203 207 Y HN 0.495 nan 8.280 nan 0.000 0.453 208 E N 5.377 125.134 120.200 -0.738 0.000 2.073 208 E HA 0.286 4.637 4.350 0.001 0.000 0.269 208 E C -1.030 175.283 176.600 -0.478 0.000 0.917 208 E CA -0.615 55.517 56.400 -0.446 0.000 0.757 208 E CB 0.827 30.338 29.700 -0.314 0.000 1.111 208 E HN 0.535 nan 8.360 nan 0.000 0.410 209 C N 3.231 122.395 119.300 -0.227 0.000 2.585 209 C HA 0.099 4.560 4.460 0.001 0.000 0.406 209 C C 0.071 175.025 174.990 -0.059 0.000 1.312 209 C CA -0.432 58.536 59.018 -0.083 0.000 1.924 209 C CB -0.855 26.788 27.740 -0.161 0.000 2.578 209 C HN 0.648 nan 8.230 nan 0.000 0.580 210 Y N 4.777 124.914 120.300 -0.271 0.000 2.365 210 Y HA 0.485 5.035 4.550 0.001 0.000 0.340 210 Y C -0.078 175.571 175.900 -0.419 0.000 1.016 210 Y CA -0.636 57.106 58.100 -0.596 0.000 1.196 210 Y CB 0.218 38.320 38.460 -0.597 0.000 1.167 210 Y HN 0.466 nan 8.280 nan 0.000 0.509 211 I N 10.360 130.376 120.570 -0.924 0.000 2.337 211 I HA 0.220 4.390 4.170 0.001 0.000 0.285 211 I C -1.881 173.701 176.117 -0.891 0.000 1.041 211 I CA -2.896 57.939 61.300 -0.776 0.000 1.199 211 I CB 1.067 38.589 38.000 -0.797 0.000 1.370 211 I HN 0.552 nan 8.210 nan 0.000 0.470 212 P HA -0.149 nan 4.420 nan 0.000 0.217 212 P C 1.160 178.337 177.300 -0.205 0.000 1.150 212 P CA 1.183 63.991 63.100 -0.486 0.000 0.832 212 P CB 0.288 31.870 31.700 -0.196 0.000 0.787 213 E N 0.071 120.197 120.200 -0.123 0.000 2.479 213 E HA 0.065 4.416 4.350 0.001 0.000 0.193 213 E C 0.891 177.532 176.600 0.068 0.000 1.049 213 E CA 0.056 56.482 56.400 0.043 0.000 0.870 213 E CB -0.588 29.179 29.700 0.112 0.000 0.944 213 E HN 0.008 nan 8.360 nan 0.000 0.492 214 G N 0.420 109.184 108.800 -0.060 0.000 2.467 214 G HA2 0.462 4.423 3.960 0.001 0.000 0.257 214 G HA3 0.462 4.423 3.960 0.001 0.000 0.257 214 G C -0.164 174.549 174.900 -0.311 0.000 1.227 214 G CA 0.635 45.649 45.100 -0.142 0.000 0.835 214 G HN 0.556 nan 8.290 nan 0.000 0.556 221 G N -0.362 108.505 108.800 0.112 0.000 2.749 221 G HA2 0.623 4.583 3.960 0.001 0.000 0.300 221 G HA3 0.623 4.583 3.960 0.001 0.000 0.300 221 G C 0.235 175.235 174.900 0.167 0.000 1.352 221 G CA 0.126 45.296 45.100 0.118 0.000 0.789 221 G HN 1.711 nan 8.290 nan 0.000 0.509 222 G N -1.269 107.630 108.800 0.166 0.000 2.634 222 G HA2 0.407 4.368 3.960 0.001 0.000 0.255 222 G HA3 0.407 4.368 3.960 0.001 0.000 0.255 222 G C 1.139 176.160 174.900 0.202 0.000 1.205 222 G CA -0.626 44.599 45.100 0.208 0.000 0.884 222 G HN 0.550 nan 8.290 nan 0.000 0.549 223 L N -0.284 121.044 121.223 0.173 0.000 2.261 223 L HA -0.124 4.216 4.340 0.001 0.000 0.216 223 L C 2.434 179.581 176.870 0.462 0.000 1.114 223 L CA 0.844 55.808 54.840 0.206 0.000 0.777 223 L CB -0.331 41.699 42.059 -0.050 0.000 0.910 223 L HN 0.534 nan 8.230 nan 0.000 0.440 224 D N 0.818 121.474 120.400 0.427 0.000 2.248 224 D HA -0.268 4.373 4.640 0.001 0.000 0.191 224 D C 1.545 177.860 176.300 0.025 0.000 1.013 224 D CA 1.675 55.752 54.000 0.128 0.000 0.883 224 D CB -0.034 40.825 40.800 0.098 0.000 0.915 224 D HN 0.335 nan 8.370 nan 0.000 0.448 225 D N -0.916 119.536 120.400 0.086 0.000 2.263 225 D HA -0.101 4.540 4.640 0.001 0.000 0.208 225 D C 1.450 177.761 176.300 0.019 0.000 0.971 225 D CA 0.286 54.315 54.000 0.048 0.000 0.867 225 D CB 0.076 40.918 40.800 0.070 0.000 0.929 225 D HN 0.245 nan 8.370 nan 0.000 0.492 226 L N -0.021 121.236 121.223 0.057 0.000 2.728 226 L HA 0.207 4.548 4.340 0.001 0.000 0.238 226 L C 1.899 178.708 176.870 -0.102 0.000 1.143 226 L CA 0.173 54.994 54.840 -0.031 0.000 0.937 226 L CB -0.315 41.781 42.059 0.062 0.000 1.225 226 L HN -0.125 nan 8.230 nan 0.000 0.507 227 R N -0.672 119.781 120.500 -0.079 0.000 2.081 227 R HA -0.132 4.208 4.340 0.001 0.000 0.235 227 R C 1.756 177.981 176.300 -0.125 0.000 1.131 227 R CA 1.970 57.974 56.100 -0.161 0.000 0.960 227 R CB 0.122 30.140 30.300 -0.470 0.000 0.856 227 R HN 0.236 nan 8.270 nan 0.000 0.436 228 T N 1.146 115.652 114.554 -0.080 0.000 2.737 228 T HA -0.169 4.182 4.350 0.001 0.000 0.265 228 T C 1.700 176.413 174.700 0.022 0.000 1.038 228 T CA 1.517 63.624 62.100 0.013 0.000 1.144 228 T CB -0.140 68.785 68.868 0.095 0.000 0.866 228 T HN 0.274 nan 8.240 nan 0.000 0.434 229 M N 0.678 120.184 119.600 -0.158 0.000 2.117 229 M HA -0.084 4.397 4.480 0.001 0.000 0.262 229 M C 2.194 178.337 176.300 -0.263 0.000 1.065 229 M CA 1.472 56.537 55.300 -0.392 0.000 1.114 229 M CB -0.260 31.807 32.600 -0.889 0.000 1.361 229 M HN 0.261 nan 8.290 nan 0.000 0.408 230 L N 0.476 121.507 121.223 -0.321 0.000 1.989 230 L HA -0.149 4.192 4.340 0.001 0.000 0.211 230 L C 2.320 179.066 176.870 -0.206 0.000 1.071 230 L CA 2.253 56.843 54.840 -0.415 0.000 0.749 230 L CB -1.017 40.651 42.059 -0.651 0.000 0.890 230 L HN 0.369 nan 8.230 nan 0.000 0.431 231 V N -3.001 116.868 119.914 -0.076 0.000 2.515 231 V HA -0.156 3.964 4.120 0.001 0.000 0.250 231 V C 2.178 178.334 176.094 0.104 0.000 1.058 231 V CA 1.800 64.135 62.300 0.057 0.000 1.064 231 V CB -1.010 30.922 31.823 0.182 0.000 0.675 231 V HN 0.611 nan 8.190 nan 0.000 0.461 232 E N -0.196 120.050 120.200 0.076 0.000 2.112 232 E HA -0.097 4.254 4.350 0.001 0.000 0.190 232 E C 2.242 178.861 176.600 0.032 0.000 0.979 232 E CA 1.534 57.989 56.400 0.091 0.000 0.814 232 E CB -0.273 29.521 29.700 0.156 0.000 0.762 232 E HN 0.706 nan 8.360 nan 0.000 0.460 233 C N 0.520 119.813 119.300 -0.012 0.000 2.440 233 C HA -0.097 4.364 4.460 0.001 0.000 0.278 233 C C 2.382 177.318 174.990 -0.091 0.000 1.295 233 C CA 0.174 59.155 59.018 -0.062 0.000 1.738 233 C CB -0.898 26.777 27.740 -0.108 0.000 1.987 233 C HN 0.414 nan 8.230 nan 0.000 0.492 234 F N 2.453 122.264 119.950 -0.231 0.000 2.102 234 F HA -0.042 4.486 4.527 0.001 0.000 0.298 234 F C 2.374 178.018 175.800 -0.259 0.000 1.105 234 F CA 1.476 59.286 58.000 -0.317 0.000 1.239 234 F CB -0.614 38.065 39.000 -0.535 0.000 0.991 234 F HN 0.146 nan 8.300 nan 0.000 0.474 235 A N 0.519 123.227 122.820 -0.187 0.000 1.908 235 A HA -0.128 4.192 4.320 0.001 0.000 0.218 235 A C 2.442 179.897 177.584 -0.215 0.000 1.181 235 A CA 2.012 53.975 52.037 -0.123 0.000 0.627 235 A CB -1.627 17.445 19.000 0.120 0.000 0.818 235 A HN 0.531 nan 8.150 nan 0.000 0.445 236 A N 0.081 122.800 122.820 -0.168 0.000 1.883 236 A HA -0.125 4.196 4.320 0.001 0.000 0.217 236 A C 2.074 179.534 177.584 -0.208 0.000 1.186 236 A CA 1.729 53.675 52.037 -0.151 0.000 0.624 236 A CB -0.538 18.402 19.000 -0.101 0.000 0.822 236 A HN 0.436 nan 8.150 nan 0.000 0.444 237 I N -0.223 120.184 120.570 -0.273 0.000 2.179 237 I HA -0.264 3.907 4.170 0.001 0.000 0.242 237 I C 2.711 178.638 176.117 -0.317 0.000 1.088 237 I CA 1.968 63.131 61.300 -0.229 0.000 1.357 237 I CB -1.390 36.460 38.000 -0.250 0.000 1.051 237 I HN 0.591 nan 8.210 nan 0.000 0.409 238 Q N 1.049 120.488 119.800 -0.601 0.000 2.112 238 Q HA -0.238 4.102 4.340 0.001 0.000 0.206 238 Q C 2.280 178.113 176.000 -0.278 0.000 0.987 238 Q CA 2.767 58.259 55.803 -0.518 0.000 0.858 238 Q CB 0.011 28.386 28.738 -0.606 0.000 0.905 238 Q HN 0.597 nan 8.270 nan 0.000 0.420 239 S N -0.521 115.048 115.700 -0.218 0.000 2.474 239 S HA -0.065 4.406 4.470 0.001 0.000 0.235 239 S C 1.612 176.133 174.600 -0.131 0.000 0.997 239 S CA 0.710 58.828 58.200 -0.137 0.000 0.949 239 S CB -0.143 62.990 63.200 -0.111 0.000 0.766 239 S HN 0.453 nan 8.310 nan 0.000 0.517 240 L N 1.274 122.398 121.223 -0.166 0.000 2.607 240 L HA 0.181 4.521 4.340 0.001 0.000 0.228 240 L C 2.583 179.495 176.870 0.070 0.000 1.123 240 L CA 0.237 54.968 54.840 -0.181 0.000 0.890 240 L CB -0.423 41.293 42.059 -0.573 0.000 1.103 240 L HN 0.436 nan 8.230 nan 0.000 0.468 241 Q N -0.442 119.322 119.800 -0.060 0.000 2.368 241 Q HA -0.218 4.123 4.340 0.001 0.000 0.210 241 Q C 1.225 177.109 176.000 -0.192 0.000 0.982 241 Q CA 1.493 57.180 55.803 -0.193 0.000 0.884 241 Q CB -0.265 28.214 28.738 -0.431 0.000 0.933 241 Q HN 0.542 nan 8.270 nan 0.000 0.460 242 H N 0.192 119.327 119.070 0.109 0.000 2.622 242 H HA 0.260 4.817 4.556 0.001 0.000 0.269 242 H C 0.059 175.504 175.328 0.195 0.000 0.977 242 H CA -0.085 56.024 56.048 0.102 0.000 1.179 242 H CB 0.441 30.227 29.762 0.040 0.000 1.458 242 H HN 0.316 nan 8.280 nan 0.000 0.531 243 E N 1.435 121.857 120.200 0.370 0.000 2.418 243 E HA 0.111 4.461 4.350 0.001 0.000 0.261 243 E C -0.148 176.778 176.600 0.542 0.000 1.070 243 E CA 0.063 56.696 56.400 0.387 0.000 0.931 243 E CB 1.906 31.796 29.700 0.318 0.000 0.954 243 E HN -0.104 nan 8.360 nan 0.000 0.439 244 V N 2.143 122.272 119.914 0.358 0.000 2.604 244 V HA 0.209 4.329 4.120 0.001 0.000 0.305 244 V C -0.302 175.881 176.094 0.149 0.000 1.043 244 V CA -0.759 61.725 62.300 0.306 0.000 0.888 244 V CB 2.175 34.116 31.823 0.196 0.000 0.995 244 V HN 0.347 nan 8.190 nan 0.000 0.429 245 V N 3.884 123.867 119.914 0.115 0.000 2.313 245 V HA 0.528 4.648 4.120 0.001 0.000 0.278 245 V C 0.935 177.031 176.094 0.004 0.000 1.017 245 V CA 0.186 62.448 62.300 -0.064 0.000 0.823 245 V CB 1.183 32.867 31.823 -0.231 0.000 1.010 245 V HN 1.009 nan 8.190 nan 0.000 0.443 246 G N 4.399 113.188 108.800 -0.018 0.000 3.453 246 G HA2 0.310 4.271 3.960 0.001 0.000 0.263 246 G HA3 0.310 4.271 3.960 0.001 0.000 0.263 246 G C 0.193 175.083 174.900 -0.017 0.000 1.060 246 G CA -0.087 45.014 45.100 0.001 0.000 0.793 246 G HN 0.680 nan 8.290 nan 0.000 0.532 247 Q N 0.265 120.041 119.800 -0.039 0.000 2.416 247 Q HA 0.639 4.980 4.340 0.001 0.000 0.281 247 Q C -3.083 172.888 176.000 -0.048 0.000 1.067 247 Q CA -1.905 53.874 55.803 -0.040 0.000 0.809 247 Q CB 2.268 30.979 28.738 -0.044 0.000 1.418 247 Q HN -0.003 nan 8.270 nan 0.000 0.411 248 P HA 0.583 nan 4.420 nan 0.000 0.279 248 P C -1.363 175.914 177.300 -0.039 0.000 1.276 248 P CA -0.519 62.563 63.100 -0.030 0.000 0.801 248 P CB 1.087 32.777 31.700 -0.016 0.000 1.127 249 A N 0.432 123.235 122.820 -0.029 0.000 2.455 249 A HA 0.575 4.896 4.320 0.001 0.000 0.300 249 A C -0.271 177.333 177.584 0.033 0.000 1.040 249 A CA -0.842 51.185 52.037 -0.016 0.000 0.697 249 A CB 0.679 19.646 19.000 -0.055 0.000 1.265 249 A HN 0.448 nan 8.150 nan 0.000 0.407 250 I N 2.860 123.467 120.570 0.062 0.000 2.556 250 I HA 0.168 4.339 4.170 0.001 0.000 0.284 250 I C 0.399 176.652 176.117 0.227 0.000 1.114 250 I CA 0.623 61.996 61.300 0.122 0.000 1.418 250 I CB 0.348 38.418 38.000 0.117 0.000 1.394 250 I HN 0.756 nan 8.210 nan 0.000 0.552 251 H N 7.202 126.318 119.070 0.077 0.000 3.149 251 H HA 0.490 5.047 4.556 0.001 0.000 0.334 251 H C -1.341 173.999 175.328 0.020 0.000 1.000 251 H CA -0.915 55.158 56.048 0.041 0.000 1.415 251 H CB 1.081 30.826 29.762 -0.029 0.000 1.819 251 H HN 0.615 nan 8.280 nan 0.000 0.486 252 R N 3.625 124.067 120.500 -0.097 0.000 2.673 252 R HA 0.255 4.596 4.340 0.001 0.000 0.281 252 R C -1.143 174.899 176.300 -0.430 0.000 0.991 252 R CA -0.967 55.009 56.100 -0.207 0.000 0.896 252 R CB 3.044 33.420 30.300 0.127 0.000 1.201 252 R HN 0.635 nan 8.270 nan 0.000 0.457 253 Q N 0.998 120.539 119.800 -0.432 0.000 2.340 253 Q HA 0.335 4.676 4.340 0.001 0.000 0.268 253 Q C -0.867 174.969 176.000 -0.274 0.000 1.031 253 Q CA -0.944 54.573 55.803 -0.475 0.000 0.804 253 Q CB 2.598 31.104 28.738 -0.387 0.000 1.286 253 Q HN 0.470 nan 8.270 nan 0.000 0.448 254 E N 1.754 121.762 120.200 -0.321 0.000 2.502 254 E HA -0.132 4.219 4.350 0.001 0.000 0.261 254 E C -0.722 175.934 176.600 0.093 0.000 0.974 254 E CA 0.047 56.448 56.400 0.002 0.000 0.936 254 E CB 0.464 30.205 29.700 0.068 0.000 0.926 254 E HN 0.574 nan 8.360 nan 0.000 0.459 255 H N 5.376 124.452 119.070 0.010 0.000 2.964 255 H HA 0.113 4.670 4.556 0.001 0.000 0.328 255 H C -2.066 173.182 175.328 -0.134 0.000 1.030 255 H CA -1.237 54.795 56.048 -0.026 0.000 1.445 255 H CB 0.624 30.375 29.762 -0.018 0.000 1.449 255 H HN 0.276 nan 8.280 nan 0.000 0.581 256 P HA 0.122 nan 4.420 nan 0.000 0.284 256 P C -0.653 176.197 177.300 -0.751 0.000 1.253 256 P CA -0.226 62.196 63.100 -1.131 0.000 0.800 256 P CB 0.997 32.264 31.700 -0.721 0.000 0.961 257 H N 0.888 119.427 119.070 -0.886 0.000 2.745 257 H HA 0.172 4.728 4.556 0.001 0.000 0.373 257 H C 1.046 176.273 175.328 -0.169 0.000 1.226 257 H CA -0.784 55.106 56.048 -0.262 0.000 1.435 257 H CB 0.641 30.410 29.762 0.012 0.000 1.461 257 H HN 0.236 nan 8.280 nan 0.000 0.616 258 R N 1.406 121.956 120.500 0.083 0.000 2.523 258 R HA -0.080 4.260 4.340 0.001 0.000 0.281 258 R C -0.284 176.065 176.300 0.082 0.000 0.969 258 R CA 0.061 56.199 56.100 0.062 0.000 1.093 258 R CB 0.426 30.752 30.300 0.043 0.000 0.917 258 R HN 0.343 nan 8.270 nan 0.000 0.408 259 V N 7.016 126.942 119.914 0.019 0.000 2.644 259 V HA -0.002 4.118 4.120 0.001 0.000 0.305 259 V C -1.797 174.245 176.094 -0.086 0.000 1.053 259 V CA -1.018 61.253 62.300 -0.048 0.000 1.186 259 V CB 0.592 32.215 31.823 -0.333 0.000 0.895 259 V HN 0.651 nan 8.190 nan 0.000 0.490 260 P HA 0.087 nan 4.420 nan 0.000 0.268 260 P C 0.897 178.100 177.300 -0.161 0.000 1.205 260 P CA -0.061 62.985 63.100 -0.090 0.000 0.771 260 P CB 0.769 32.364 31.700 -0.175 0.000 0.858 261 V N 2.678 122.558 119.914 -0.057 0.000 2.332 261 V HA -0.284 3.837 4.120 0.001 0.000 0.248 261 V C 2.282 178.362 176.094 -0.022 0.000 1.055 261 V CA 2.289 64.563 62.300 -0.043 0.000 1.038 261 V CB -1.560 30.269 31.823 0.010 0.000 0.651 261 V HN 0.781 nan 8.190 nan 0.000 0.450 262 H N -1.168 117.899 119.070 -0.005 0.000 2.518 262 H HA -0.076 4.480 4.556 0.001 0.000 0.289 262 H C 2.034 177.371 175.328 0.015 0.000 1.051 262 H CA 1.823 57.876 56.048 0.007 0.000 1.280 262 H CB -0.095 29.676 29.762 0.015 0.000 1.380 262 H HN 0.447 nan 8.280 nan 0.000 0.566 263 I N 0.913 121.262 120.570 -0.368 0.000 2.810 263 I HA 0.044 4.215 4.170 0.001 0.000 0.262 263 I C 2.855 178.923 176.117 -0.082 0.000 1.131 263 I CA 0.791 61.962 61.300 -0.216 0.000 1.453 263 I CB -0.149 37.704 38.000 -0.245 0.000 1.161 263 I HN 0.265 nan 8.210 nan 0.000 0.444 264 A N 0.124 122.836 122.820 -0.181 0.000 2.024 264 A HA -0.189 4.132 4.320 0.001 0.000 0.220 264 A C 1.855 179.440 177.584 0.001 0.000 1.164 264 A CA 1.610 53.544 52.037 -0.171 0.000 0.643 264 A CB -0.504 18.273 19.000 -0.371 0.000 0.806 264 A HN 0.488 nan 8.150 nan 0.000 0.451 265 E N -0.751 119.448 120.200 -0.003 0.000 2.451 265 E HA 0.111 4.461 4.350 0.001 0.000 0.194 265 E C 0.199 176.822 176.600 0.038 0.000 1.027 265 E CA -0.382 56.033 56.400 0.024 0.000 0.914 265 E CB 0.311 30.023 29.700 0.020 0.000 1.054 265 E HN 0.432 nan 8.360 nan 0.000 0.461 266 R N 0.724 121.255 120.500 0.053 0.000 2.560 266 R HA 0.354 4.694 4.340 0.001 0.000 0.270 266 R C -0.373 175.955 176.300 0.046 0.000 1.074 266 R CA -0.289 55.847 56.100 0.059 0.000 1.140 266 R CB 1.335 31.684 30.300 0.082 0.000 1.073 266 R HN -0.086 nan 8.270 nan 0.000 0.527 267 V N 0.819 120.749 119.914 0.026 0.000 2.581 267 V HA 0.285 4.405 4.120 0.001 0.000 0.303 267 V C 1.000 177.111 176.094 0.029 0.000 1.041 267 V CA -0.280 62.016 62.300 -0.008 0.000 0.907 267 V CB 1.782 33.557 31.823 -0.079 0.000 0.994 267 V HN 1.068 nan 8.190 nan 0.000 0.442 268 G N 2.567 111.401 108.800 0.057 0.000 2.744 268 G HA2 0.233 4.193 3.960 0.001 0.000 0.211 268 G HA3 0.233 4.193 3.960 0.001 0.000 0.211 268 G C 0.040 175.115 174.900 0.291 0.000 1.146 268 G CA 0.706 45.921 45.100 0.191 0.000 0.787 268 G HN 0.865 nan 8.290 nan 0.000 0.534 269 Y N -2.269 118.040 120.300 0.016 0.000 2.702 269 Y HA 0.516 5.066 4.550 0.001 0.000 0.336 269 Y C -1.990 173.910 175.900 0.001 0.000 1.203 269 Y CA -2.211 55.898 58.100 0.014 0.000 1.072 269 Y CB 0.599 39.061 38.460 0.003 0.000 1.327 269 Y HN -0.116 nan 8.280 nan 0.000 0.456 270 D N 1.657 122.120 120.400 0.105 0.000 2.344 270 D HA 0.206 4.847 4.640 0.001 0.000 0.253 270 D C 0.735 177.055 176.300 0.033 0.000 1.255 270 D CA 0.157 54.168 54.000 0.019 0.000 0.894 270 D CB 1.731 42.578 40.800 0.079 0.000 1.067 270 D HN 0.548 nan 8.370 nan 0.000 0.492 271 V N 4.409 124.236 119.914 -0.144 0.000 2.307 271 V HA -0.184 3.937 4.120 0.001 0.000 0.245 271 V C 2.367 178.477 176.094 0.028 0.000 1.045 271 V CA 1.711 63.955 62.300 -0.093 0.000 1.024 271 V CB -0.509 31.186 31.823 -0.213 0.000 0.651 271 V HN 0.666 nan 8.190 nan 0.000 0.449 272 E N 0.317 120.529 120.200 0.019 0.000 2.058 272 E HA -0.252 4.099 4.350 0.001 0.000 0.194 272 E C 2.238 178.909 176.600 0.118 0.000 0.997 272 E CA 1.523 57.955 56.400 0.053 0.000 0.801 272 E CB -0.194 29.524 29.700 0.031 0.000 0.746 272 E HN 0.558 nan 8.360 nan 0.000 0.450 273 A N 0.169 123.068 122.820 0.131 0.000 1.930 273 A HA -0.138 4.183 4.320 0.001 0.000 0.217 273 A C 2.345 180.039 177.584 0.184 0.000 1.175 273 A CA 1.885 54.028 52.037 0.176 0.000 0.627 273 A CB -0.771 18.317 19.000 0.147 0.000 0.815 273 A HN 0.313 nan 8.150 nan 0.000 0.443 274 T N 0.453 115.112 114.554 0.176 0.000 2.821 274 T HA -0.053 4.298 4.350 0.001 0.000 0.267 274 T C 1.765 176.538 174.700 0.122 0.000 1.046 274 T CA 1.397 63.588 62.100 0.152 0.000 1.139 274 T CB -0.337 68.632 68.868 0.170 0.000 0.871 274 T HN 0.376 nan 8.240 nan 0.000 0.454 275 L N -0.148 121.154 121.223 0.133 0.000 2.093 275 L HA -0.079 4.262 4.340 0.001 0.000 0.208 275 L C 2.527 179.523 176.870 0.210 0.000 1.085 275 L CA 1.417 56.346 54.840 0.149 0.000 0.755 275 L CB -0.590 41.551 42.059 0.137 0.000 0.904 275 L HN 0.448 nan 8.230 nan 0.000 0.435 276 H N 0.079 119.203 119.070 0.090 0.000 2.299 276 H HA -0.209 4.348 4.556 0.001 0.000 0.302 276 H C 2.453 177.840 175.328 0.097 0.000 1.078 276 H CA 1.355 57.454 56.048 0.084 0.000 1.323 276 H CB 0.348 30.152 29.762 0.070 0.000 1.381 276 H HN 0.030 nan 8.280 nan 0.000 0.498 277 R N 0.966 121.534 120.500 0.114 0.000 2.152 277 R HA -0.108 4.233 4.340 0.001 0.000 0.232 277 R C 2.282 178.670 176.300 0.146 0.000 1.117 277 R CA 0.984 57.125 56.100 0.068 0.000 0.981 277 R CB -0.795 29.603 30.300 0.163 0.000 0.870 277 R HN 0.399 nan 8.270 nan 0.000 0.451 278 L N -0.290 121.024 121.223 0.152 0.000 2.265 278 L HA 0.019 4.359 4.340 0.001 0.000 0.215 278 L C 1.557 178.564 176.870 0.229 0.000 1.117 278 L CA 1.763 56.688 54.840 0.142 0.000 0.782 278 L CB -0.144 41.994 42.059 0.130 0.000 0.914 278 L HN 0.296 nan 8.230 nan 0.000 0.441 279 M N -1.416 118.330 119.600 0.243 0.000 2.495 279 M HA 0.108 4.589 4.480 0.001 0.000 0.237 279 M C 0.343 176.827 176.300 0.306 0.000 1.131 279 M CA 0.248 55.748 55.300 0.333 0.000 1.032 279 M CB 0.260 33.011 32.600 0.251 0.000 1.513 279 M HN 0.216 nan 8.290 nan 0.000 0.488 280 Q N -0.800 119.054 119.800 0.090 0.000 2.204 280 Q HA 0.313 4.654 4.340 0.001 0.000 0.254 280 Q C -0.525 175.378 176.000 -0.161 0.000 0.981 280 Q CA -0.623 55.084 55.803 -0.161 0.000 0.897 280 Q CB 0.882 29.309 28.738 -0.518 0.000 1.273 280 Q HN 0.301 nan 8.270 nan 0.000 0.464 281 H N -1.913 117.188 119.070 0.053 0.000 2.839 281 H HA -0.189 4.368 4.556 0.001 0.000 0.298 281 H C -1.226 174.056 175.328 -0.078 0.000 1.224 281 H CA -0.074 55.966 56.048 -0.013 0.000 1.144 281 H CB -1.567 28.160 29.762 -0.059 0.000 1.372 281 H HN 0.465 nan 8.280 nan 0.000 0.408 282 W N 0.944 122.290 121.300 0.078 0.000 2.150 282 W HA 0.347 5.007 4.660 0.001 0.000 0.341 282 W C 0.857 177.397 176.519 0.035 0.000 1.276 282 W CA 0.939 58.310 57.345 0.043 0.000 1.238 282 W CB 0.875 30.344 29.460 0.015 0.000 1.128 282 W HN 0.256 nan 8.180 nan 0.000 0.581 283 T N -0.736 113.989 114.554 0.285 0.000 2.883 283 T HA 0.342 4.692 4.350 0.001 0.000 0.301 283 T C -2.366 172.433 174.700 0.166 0.000 1.158 283 T CA -1.938 60.260 62.100 0.164 0.000 1.007 283 T CB 2.047 70.960 68.868 0.075 0.000 1.186 283 T HN 0.013 nan 8.240 nan 0.000 0.499 284 P HA 0.026 nan 4.420 nan 0.000 0.220 284 P C 1.514 178.844 177.300 0.050 0.000 1.148 284 P CA 0.627 63.768 63.100 0.068 0.000 0.803 284 P CB 0.129 31.851 31.700 0.037 0.000 0.782 285 R N 0.036 120.552 120.500 0.026 0.000 2.092 285 R HA -0.141 4.199 4.340 0.001 0.000 0.231 285 R C 2.228 178.498 176.300 -0.050 0.000 1.119 285 R CA 1.465 57.554 56.100 -0.018 0.000 0.970 285 R CB -0.438 29.839 30.300 -0.038 0.000 0.864 285 R HN 0.178 nan 8.270 nan 0.000 0.440 286 Q N -0.375 119.416 119.800 -0.016 0.000 2.050 286 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 286 Q C 2.137 178.210 176.000 0.122 0.000 0.980 286 Q CA 1.956 57.742 55.803 -0.029 0.000 0.840 286 Q CB -0.059 28.662 28.738 -0.028 0.000 0.898 286 Q HN 0.192 nan 8.270 nan 0.000 0.424 287 V N 1.090 121.152 119.914 0.247 0.000 2.317 287 V HA -0.321 3.800 4.120 0.001 0.000 0.251 287 V C 2.103 178.239 176.094 0.070 0.000 1.065 287 V CA 2.309 64.710 62.300 0.167 0.000 1.049 287 V CB -0.525 31.329 31.823 0.053 0.000 0.651 287 V HN 0.416 nan 8.190 nan 0.000 0.450 288 E N -0.661 119.559 120.200 0.033 0.000 2.112 288 E HA -0.136 4.215 4.350 0.001 0.000 0.190 288 E C 2.098 178.702 176.600 0.007 0.000 0.979 288 E CA 0.431 56.838 56.400 0.013 0.000 0.814 288 E CB 0.011 29.712 29.700 0.002 0.000 0.762 288 E HN 0.347 nan 8.360 nan 0.000 0.460 289 L N 0.995 122.189 121.223 -0.049 0.000 2.127 289 L HA -0.149 4.192 4.340 0.001 0.000 0.211 289 L C 2.128 179.065 176.870 0.112 0.000 1.089 289 L CA 1.353 56.138 54.840 -0.093 0.000 0.757 289 L CB -0.806 40.972 42.059 -0.469 0.000 0.899 289 L HN 0.310 nan 8.230 nan 0.000 0.434 290 L N -0.901 120.404 121.223 0.136 0.000 2.187 290 L HA -0.231 4.109 4.340 0.001 0.000 0.213 290 L C 2.350 179.403 176.870 0.304 0.000 1.100 290 L CA 0.724 55.722 54.840 0.264 0.000 0.765 290 L CB -0.344 41.790 42.059 0.125 0.000 0.904 290 L HN 0.237 nan 8.230 nan 0.000 0.437 291 E N 0.467 120.761 120.200 0.157 0.000 2.267 291 E HA -0.189 4.162 4.350 0.001 0.000 0.197 291 E C 2.000 178.647 176.600 0.078 0.000 0.998 291 E CA 0.936 57.393 56.400 0.096 0.000 0.830 291 E CB -0.188 29.538 29.700 0.043 0.000 0.751 291 E HN 0.462 nan 8.360 nan 0.000 0.491 292 L N -0.541 120.723 121.223 0.069 0.000 2.478 292 L HA 0.046 4.386 4.340 0.001 0.000 0.223 292 L C 0.239 176.975 176.870 -0.224 0.000 1.140 292 L CA -0.054 54.701 54.840 -0.141 0.000 0.842 292 L CB -0.067 41.797 42.059 -0.324 0.000 0.953 292 L HN 0.013 nan 8.230 nan 0.000 0.452 293 F N -0.635 119.358 119.950 0.073 0.000 2.457 293 F HA 0.270 4.798 4.527 0.001 0.000 0.330 293 F C 1.282 177.127 175.800 0.076 0.000 1.069 293 F CA -1.111 56.947 58.000 0.096 0.000 1.009 293 F CB 0.748 39.816 39.000 0.113 0.000 1.276 293 F HN -0.199 nan 8.300 nan 0.000 0.492 294 T N -2.492 112.231 114.554 0.282 0.000 2.855 294 T HA 0.062 4.413 4.350 0.001 0.000 0.314 294 T C 1.077 175.869 174.700 0.153 0.000 1.077 294 T CA -0.273 61.935 62.100 0.180 0.000 1.095 294 T CB 0.673 69.651 68.868 0.182 0.000 0.987 294 T HN 0.632 nan 8.240 nan 0.000 0.546 295 T N 3.057 117.670 114.554 0.099 0.000 2.635 295 T HA -0.064 4.286 4.350 0.001 0.000 0.267 295 T C -0.712 174.007 174.700 0.032 0.000 1.040 295 T CA 1.804 63.940 62.100 0.059 0.000 1.156 295 T CB -1.481 67.413 68.868 0.043 0.000 0.863 295 T HN 0.608 nan 8.240 nan 0.000 0.430 296 P HA 0.009 nan 4.420 nan 0.000 0.218 296 P C 1.595 178.845 177.300 -0.083 0.000 1.149 296 P CA 0.551 63.671 63.100 0.034 0.000 0.817 296 P CB -0.204 31.587 31.700 0.152 0.000 0.785 297 V N 0.094 120.046 119.914 0.064 0.000 2.323 297 V HA -0.184 3.937 4.120 0.001 0.000 0.244 297 V C 2.742 178.749 176.094 -0.145 0.000 1.041 297 V CA 1.731 64.053 62.300 0.037 0.000 1.025 297 V CB -1.003 30.999 31.823 0.298 0.000 0.656 297 V HN 0.051 nan 8.190 nan 0.000 0.451 298 R N 0.451 120.944 120.500 -0.012 0.000 2.080 298 R HA -0.236 4.105 4.340 0.001 0.000 0.236 298 R C 2.259 178.482 176.300 -0.128 0.000 1.137 298 R CA 2.348 58.438 56.100 -0.016 0.000 0.943 298 R CB -0.308 30.027 30.300 0.058 0.000 0.846 298 R HN 0.601 nan 8.270 nan 0.000 0.431 299 E N -0.846 119.256 120.200 -0.164 0.000 2.077 299 E HA -0.129 4.222 4.350 0.001 0.000 0.193 299 E C 1.946 178.341 176.600 -0.341 0.000 0.989 299 E CA 1.122 57.402 56.400 -0.200 0.000 0.800 299 E CB -0.260 29.349 29.700 -0.151 0.000 0.746 299 E HN 0.636 nan 8.360 nan 0.000 0.452 300 G N 1.354 109.752 108.800 -0.670 0.000 2.446 300 G HA2 -0.256 3.705 3.960 0.001 0.000 0.217 300 G HA3 -0.256 3.705 3.960 0.001 0.000 0.217 300 G C 1.524 176.047 174.900 -0.628 0.000 1.168 300 G CA 0.353 44.733 45.100 -1.200 0.000 0.771 300 G HN 0.126 nan 8.290 nan 0.000 0.551 301 L N -0.231 120.752 121.223 -0.399 0.000 2.156 301 L HA 0.053 4.393 4.340 0.001 0.000 0.208 301 L C 3.160 180.076 176.870 0.076 0.000 1.095 301 L CA 0.814 55.692 54.840 0.064 0.000 0.770 301 L CB -0.316 41.847 42.059 0.174 0.000 0.914 301 L HN 0.243 nan 8.230 nan 0.000 0.439 302 R N -0.897 119.533 120.500 -0.118 0.000 2.091 302 R HA -0.160 4.181 4.340 0.001 0.000 0.238 302 R C 2.074 178.195 176.300 -0.299 0.000 1.136 302 R CA 1.946 57.873 56.100 -0.288 0.000 0.959 302 R CB -0.436 29.729 30.300 -0.225 0.000 0.856 302 R HN 0.323 nan 8.270 nan 0.000 0.437 303 T N 0.215 114.655 114.554 -0.190 0.000 2.803 303 T HA -0.191 4.160 4.350 0.001 0.000 0.269 303 T C 1.854 176.499 174.700 -0.092 0.000 1.052 303 T CA 1.248 63.265 62.100 -0.140 0.000 1.136 303 T CB -0.363 68.441 68.868 -0.107 0.000 0.864 303 T HN 0.397 nan 8.240 nan 0.000 0.467 304 C N 1.695 120.998 119.300 0.004 0.000 2.430 304 C HA -0.053 4.408 4.460 0.001 0.000 0.288 304 C C 2.661 177.715 174.990 0.107 0.000 1.448 304 C CA 0.225 59.342 59.018 0.165 0.000 1.784 304 C CB -1.439 26.541 27.740 0.401 0.000 1.776 304 C HN 0.615 nan 8.230 nan 0.000 0.547 305 Q N 0.074 119.670 119.800 -0.341 0.000 2.224 305 Q HA -0.117 4.223 4.340 0.001 0.000 0.203 305 Q C 2.219 178.108 176.000 -0.185 0.000 0.970 305 Q CA 1.231 56.708 55.803 -0.543 0.000 0.865 305 Q CB 0.004 28.245 28.738 -0.828 0.000 0.922 305 Q HN 0.718 nan 8.270 nan 0.000 0.445 306 R N -0.390 120.038 120.500 -0.120 0.000 2.257 306 R HA 0.196 4.536 4.340 0.001 0.000 0.195 306 R C 0.490 176.784 176.300 -0.009 0.000 0.921 306 R CA 0.213 56.277 56.100 -0.060 0.000 1.069 306 R CB 0.659 30.912 30.300 -0.080 0.000 1.115 306 R HN 0.057 nan 8.270 nan 0.000 0.571 307 R N 0.473 120.977 120.500 0.007 0.000 2.710 307 R HA 0.433 4.774 4.340 0.001 0.000 0.270 307 R C -3.268 173.075 176.300 0.072 0.000 1.021 307 R CA -2.103 54.017 56.100 0.034 0.000 0.889 307 R CB 1.266 31.566 30.300 0.001 0.000 1.243 307 R HN -0.274 nan 8.270 nan 0.000 0.464 308 P HA 0.210 nan 4.420 nan 0.000 0.276 308 P C -1.231 176.117 177.300 0.081 0.000 1.243 308 P CA -0.088 63.118 63.100 0.177 0.000 0.768 308 P CB 1.322 33.177 31.700 0.259 0.000 0.856 309 A N 3.204 126.109 122.820 0.142 0.000 2.386 309 A HA 0.765 5.086 4.320 0.001 0.000 0.311 309 A C -0.391 177.367 177.584 0.291 0.000 1.068 309 A CA -0.463 51.601 52.037 0.045 0.000 0.743 309 A CB 0.498 19.569 19.000 0.118 0.000 1.258 309 A HN 0.578 nan 8.150 nan 0.000 0.429 310 F N -0.446 119.603 119.950 0.165 0.000 2.960 310 F HA 0.225 4.753 4.527 0.001 0.000 0.403 310 F C 0.869 176.462 175.800 -0.344 0.000 0.955 310 F CA -0.308 57.570 58.000 -0.203 0.000 1.010 310 F CB -0.381 38.514 39.000 -0.176 0.000 1.255 310 F HN 0.365 nan 8.300 nan 0.000 0.559 311 N N 2.237 120.834 118.700 -0.173 0.000 2.205 311 N HA -0.174 4.567 4.740 0.001 0.000 0.186 311 N C 1.685 177.176 175.510 -0.032 0.000 1.015 311 N CA 2.132 55.151 53.050 -0.051 0.000 0.862 311 N CB -0.675 37.770 38.487 -0.071 0.000 0.986 311 N HN 0.627 nan 8.380 nan 0.000 0.429 312 F N -0.429 119.542 119.950 0.035 0.000 2.293 312 F HA 0.109 4.636 4.527 0.001 0.000 0.300 312 F C 1.269 177.139 175.800 0.117 0.000 1.086 312 F CA 0.227 58.267 58.000 0.066 0.000 1.375 312 F CB -0.560 38.474 39.000 0.056 0.000 1.045 312 F HN -0.134 nan 8.300 nan 0.000 0.516 313 M N 3.510 122.603 119.600 -0.845 0.000 3.690 313 M HA 0.186 4.666 4.480 0.001 0.000 0.209 313 M C -0.506 175.734 176.300 -0.101 0.000 1.403 313 M CA -1.194 53.822 55.300 -0.474 0.000 1.621 313 M CB -1.574 30.617 32.600 -0.682 0.000 1.056 313 M HN 0.354 nan 8.290 nan 0.000 0.593 314 D N -0.314 120.115 120.400 0.048 0.000 2.447 314 D HA 0.019 4.659 4.640 0.001 0.000 0.265 314 D C 0.877 177.321 176.300 0.240 0.000 1.250 314 D CA 0.026 54.101 54.000 0.124 0.000 1.046 314 D CB 0.218 41.099 40.800 0.134 0.000 1.095 314 D HN 0.589 nan 8.370 nan 0.000 0.555 315 E N -1.057 119.309 120.200 0.277 0.000 2.204 315 E HA -0.205 4.146 4.350 0.001 0.000 0.194 315 E C 1.662 178.538 176.600 0.459 0.000 0.989 315 E CA 0.789 57.414 56.400 0.376 0.000 0.824 315 E CB -0.234 29.576 29.700 0.183 0.000 0.756 315 E HN 0.239 nan 8.360 nan 0.000 0.477 316 M N 0.977 120.773 119.600 0.327 0.000 2.236 316 M HA 0.115 4.596 4.480 0.001 0.000 0.266 316 M C 2.379 178.854 176.300 0.291 0.000 1.070 316 M CA 1.319 56.802 55.300 0.305 0.000 1.137 316 M CB -0.862 31.871 32.600 0.222 0.000 1.378 316 M HN 0.331 nan 8.290 nan 0.000 0.426 317 A N -0.738 122.262 122.820 0.300 0.000 1.930 317 A HA -0.201 4.120 4.320 0.001 0.000 0.217 317 A C 2.142 179.952 177.584 0.377 0.000 1.175 317 A CA 1.004 53.232 52.037 0.318 0.000 0.627 317 A CB -1.146 18.051 19.000 0.328 0.000 0.815 317 A HN 0.739 nan 8.150 nan 0.000 0.443 318 W N 0.614 122.034 121.300 0.199 0.000 2.388 318 W HA -0.114 4.546 4.660 0.001 0.000 0.294 318 W C 2.178 178.793 176.519 0.160 0.000 1.212 318 W CA 1.389 58.851 57.345 0.195 0.000 1.271 318 W CB -0.038 29.548 29.460 0.210 0.000 1.126 318 W HN 0.425 nan 8.180 nan 0.000 0.535 319 A N 0.837 123.714 122.820 0.094 0.000 1.898 319 A HA -0.049 4.272 4.320 0.001 0.000 0.216 319 A C 2.098 179.664 177.584 -0.031 0.000 1.181 319 A CA 2.172 54.080 52.037 -0.215 0.000 0.620 319 A CB -1.219 17.691 19.000 -0.151 0.000 0.819 319 A HN 0.276 nan 8.150 nan 0.000 0.442 320 A N -0.906 121.987 122.820 0.121 0.000 1.902 320 A HA -0.077 4.243 4.320 0.001 0.000 0.217 320 A C 2.294 179.971 177.584 0.154 0.000 1.181 320 A CA 2.258 54.399 52.037 0.173 0.000 0.623 320 A CB -1.301 17.810 19.000 0.185 0.000 0.818 320 A HN 0.409 nan 8.150 nan 0.000 0.443 321 T N -1.604 113.036 114.554 0.143 0.000 2.720 321 T HA -0.191 4.160 4.350 0.001 0.000 0.268 321 T C 1.769 176.435 174.700 -0.058 0.000 1.037 321 T CA 1.766 63.978 62.100 0.186 0.000 1.144 321 T CB -0.430 68.517 68.868 0.133 0.000 0.864 321 T HN 0.528 nan 8.240 nan 0.000 0.444 322 Y N 1.126 121.120 120.300 -0.509 0.000 2.224 322 Y HA -0.204 4.347 4.550 0.001 0.000 0.289 322 Y C 2.641 178.330 175.900 -0.351 0.000 1.146 322 Y CA 1.412 59.158 58.100 -0.591 0.000 1.182 322 Y CB -0.204 37.772 38.460 -0.807 0.000 0.983 322 Y HN 0.371 nan 8.280 nan 0.000 0.524 323 H N -1.711 117.364 119.070 0.008 0.000 2.357 323 H HA -0.122 4.435 4.556 0.001 0.000 0.301 323 H C 2.459 177.754 175.328 -0.055 0.000 1.082 323 H CA 1.748 57.784 56.048 -0.021 0.000 1.342 323 H CB -0.503 29.234 29.762 -0.041 0.000 1.389 323 H HN 0.250 nan 8.280 nan 0.000 0.511 324 V N 1.432 121.369 119.914 0.039 0.000 2.295 324 V HA -0.240 3.881 4.120 0.001 0.000 0.246 324 V C 2.850 178.920 176.094 -0.040 0.000 1.049 324 V CA 1.328 63.581 62.300 -0.079 0.000 1.024 324 V CB -0.715 30.811 31.823 -0.494 0.000 0.648 324 V HN 0.228 nan 8.190 nan 0.000 0.447 325 L N -0.766 120.462 121.223 0.008 0.000 2.012 325 L HA -0.234 4.106 4.340 0.001 0.000 0.210 325 L C 2.456 179.368 176.870 0.071 0.000 1.073 325 L CA 1.636 56.471 54.840 -0.008 0.000 0.748 325 L CB -0.616 41.197 42.059 -0.411 0.000 0.891 325 L HN 0.291 nan 8.230 nan 0.000 0.431 326 L N -0.604 120.646 121.223 0.045 0.000 2.079 326 L HA -0.251 4.090 4.340 0.001 0.000 0.210 326 L C 2.622 179.427 176.870 -0.109 0.000 1.081 326 L CA 1.402 56.228 54.840 -0.024 0.000 0.752 326 L CB -0.372 41.638 42.059 -0.082 0.000 0.896 326 L HN 0.355 nan 8.230 nan 0.000 0.433 327 E N -1.377 118.727 120.200 -0.161 0.000 2.112 327 E HA -0.149 4.202 4.350 0.001 0.000 0.190 327 E C 1.786 178.068 176.600 -0.530 0.000 0.979 327 E CA 0.728 56.919 56.400 -0.349 0.000 0.814 327 E CB 0.299 29.742 29.700 -0.429 0.000 0.762 327 E HN 0.561 nan 8.360 nan 0.000 0.460 328 H N -1.893 117.042 119.070 -0.225 0.000 3.017 328 H HA 0.051 4.608 4.556 0.001 0.000 0.255 328 H C 0.009 174.764 175.328 -0.955 0.000 0.990 328 H CA -0.297 55.503 56.048 -0.412 0.000 1.205 328 H CB 0.119 29.721 29.762 -0.266 0.000 1.460 328 H HN 0.073 nan 8.280 nan 0.000 0.478 329 F N 3.516 122.897 119.950 -0.948 0.000 2.607 329 F HA 0.036 4.564 4.527 0.001 0.000 0.374 329 F C 0.120 175.479 175.800 -0.735 0.000 1.104 329 F CA 0.143 57.468 58.000 -1.126 0.000 1.296 329 F CB 0.593 39.431 39.000 -0.270 0.000 1.085 329 F HN -0.051 nan 8.300 nan 0.000 0.584 330 Q N 7.966 126.902 119.800 -1.440 0.000 2.394 330 Q HA 0.322 4.662 4.340 0.001 0.000 0.259 330 Q C -2.377 173.084 176.000 -0.898 0.000 1.021 330 Q CA -2.206 53.124 55.803 -0.789 0.000 0.805 330 Q CB 1.112 29.618 28.738 -0.386 0.000 1.226 330 Q HN 0.410 nan 8.270 nan 0.000 0.476 331 P HA -0.074 nan 4.420 nan 0.000 0.265 331 P C 0.854 178.061 177.300 -0.155 0.000 1.187 331 P CA 1.013 63.979 63.100 -0.223 0.000 0.766 331 P CB 0.635 32.357 31.700 0.036 0.000 0.820 332 G N 1.780 110.543 108.800 -0.062 0.000 2.234 332 G HA2 -0.261 3.699 3.960 0.001 0.000 0.260 332 G HA3 -0.261 3.699 3.960 0.001 0.000 0.260 332 G C 0.117 174.997 174.900 -0.033 0.000 0.987 332 G CA 0.293 45.377 45.100 -0.026 0.000 0.625 332 G HN 0.679 nan 8.290 nan 0.000 0.532 333 D N 0.905 121.263 120.400 -0.070 0.000 2.317 333 D HA 0.529 5.170 4.640 0.001 0.000 0.252 333 D C -0.342 175.975 176.300 0.028 0.000 1.174 333 D CA -1.803 52.197 54.000 0.001 0.000 0.866 333 D CB 1.270 42.117 40.800 0.079 0.000 1.127 333 D HN 0.094 nan 8.370 nan 0.000 0.467 334 P HA -0.112 nan 4.420 nan 0.000 0.215 334 P C 0.651 177.952 177.300 0.001 0.000 1.157 334 P CA 0.862 63.965 63.100 0.004 0.000 0.868 334 P CB 0.242 31.932 31.700 -0.017 0.000 0.788 335 D N -1.820 118.564 120.400 -0.027 0.000 2.144 335 D HA -0.156 4.485 4.640 0.001 0.000 0.199 335 D C 1.959 178.195 176.300 -0.108 0.000 0.984 335 D CA 1.093 55.032 54.000 -0.102 0.000 0.834 335 D CB -0.589 40.105 40.800 -0.176 0.000 0.955 335 D HN 0.287 nan 8.370 nan 0.000 0.465 336 W N 1.680 122.967 121.300 -0.023 0.000 2.409 336 W HA -0.046 4.615 4.660 0.001 0.000 0.299 336 W C 2.528 179.166 176.519 0.199 0.000 1.203 336 W CA 0.442 57.796 57.345 0.016 0.000 1.298 336 W CB -0.013 29.284 29.460 -0.271 0.000 1.127 336 W HN -0.013 nan 8.180 nan 0.000 0.528 337 E N 0.027 120.445 120.200 0.364 0.000 2.077 337 E HA -0.277 4.073 4.350 0.001 0.000 0.193 337 E C 1.806 178.563 176.600 0.261 0.000 0.989 337 E CA 1.533 58.170 56.400 0.394 0.000 0.800 337 E CB -0.222 29.613 29.700 0.225 0.000 0.746 337 E HN 0.152 nan 8.360 nan 0.000 0.452 338 E N 1.040 121.318 120.200 0.130 0.000 2.106 338 E HA -0.163 4.188 4.350 0.001 0.000 0.192 338 E C 1.881 178.518 176.600 0.061 0.000 0.984 338 E CA 0.549 56.993 56.400 0.073 0.000 0.806 338 E CB -0.133 29.542 29.700 -0.042 0.000 0.750 338 E HN 0.122 nan 8.360 nan 0.000 0.458 339 L N -0.020 121.210 121.223 0.012 0.000 2.056 339 L HA -0.013 4.328 4.340 0.001 0.000 0.207 339 L C 2.204 179.109 176.870 0.058 0.000 1.078 339 L CA 1.349 56.152 54.840 -0.061 0.000 0.749 339 L CB -0.683 41.295 42.059 -0.135 0.000 0.901 339 L HN 0.361 nan 8.230 nan 0.000 0.433 340 L N -1.251 120.092 121.223 0.200 0.000 2.017 340 L HA -0.221 4.119 4.340 0.001 0.000 0.208 340 L C 2.321 179.285 176.870 0.155 0.000 1.073 340 L CA 1.911 56.812 54.840 0.101 0.000 0.745 340 L CB -1.063 40.983 42.059 -0.023 0.000 0.894 340 L HN 0.336 nan 8.230 nan 0.000 0.432 341 F N 0.581 120.573 119.950 0.070 0.000 2.126 341 F HA -0.226 4.302 4.527 0.001 0.000 0.299 341 F C 2.306 178.200 175.800 0.157 0.000 1.096 341 F CA 2.045 60.120 58.000 0.126 0.000 1.255 341 F CB -0.275 38.767 39.000 0.070 0.000 0.997 341 F HN 0.085 nan 8.300 nan 0.000 0.479 342 K N -0.491 119.862 120.400 -0.077 0.000 2.103 342 K HA -0.108 4.213 4.320 0.001 0.000 0.204 342 K C 1.932 178.476 176.600 -0.093 0.000 1.052 342 K CA 0.902 57.075 56.287 -0.189 0.000 0.945 342 K CB -0.321 32.086 32.500 -0.156 0.000 0.722 342 K HN 0.201 nan 8.250 nan 0.000 0.443 343 L N 0.062 121.295 121.223 0.016 0.000 1.994 343 L HA -0.169 4.172 4.340 0.001 0.000 0.208 343 L C 2.100 179.094 176.870 0.207 0.000 1.071 343 L CA 1.643 56.571 54.840 0.146 0.000 0.745 343 L CB -1.116 41.022 42.059 0.132 0.000 0.892 343 L HN 0.343 nan 8.230 nan 0.000 0.431 344 W N 0.327 121.611 121.300 -0.027 0.000 2.363 344 W HA -0.204 4.457 4.660 0.001 0.000 0.296 344 W C 2.369 178.637 176.519 -0.419 0.000 1.212 344 W CA 2.068 59.267 57.345 -0.243 0.000 1.260 344 W CB -0.420 28.972 29.460 -0.114 0.000 1.131 344 W HN 0.049 nan 8.180 nan 0.000 0.530 345 T N 0.088 114.351 114.554 -0.485 0.000 2.684 345 T HA -0.276 4.074 4.350 0.001 0.000 0.267 345 T C 1.814 176.197 174.700 -0.528 0.000 1.036 345 T CA 2.965 64.636 62.100 -0.714 0.000 1.148 345 T CB -0.964 67.516 68.868 -0.647 0.000 0.863 345 T HN 0.422 nan 8.240 nan 0.000 0.436 346 T N 0.531 114.906 114.554 -0.299 0.000 2.833 346 T HA -0.097 4.254 4.350 0.001 0.000 0.269 346 T C 1.997 176.478 174.700 -0.365 0.000 1.054 346 T CA 1.102 63.078 62.100 -0.205 0.000 1.135 346 T CB -0.203 68.647 68.868 -0.030 0.000 0.869 346 T HN 0.143 nan 8.240 nan 0.000 0.466 347 R N 1.210 121.411 120.500 -0.499 0.000 2.073 347 R HA 0.120 4.461 4.340 0.001 0.000 0.229 347 R C 2.290 178.221 176.300 -0.615 0.000 1.120 347 R CA 1.320 57.041 56.100 -0.631 0.000 0.967 347 R CB -1.207 28.378 30.300 -1.191 0.000 0.862 347 R HN 0.374 nan 8.270 nan 0.000 0.436 348 V N 0.851 120.284 119.914 -0.801 0.000 2.407 348 V HA -0.198 3.923 4.120 0.001 0.000 0.248 348 V C 2.313 178.148 176.094 -0.433 0.000 1.055 348 V CA 1.739 63.620 62.300 -0.698 0.000 1.049 348 V CB -0.456 30.700 31.823 -1.112 0.000 0.662 348 V HN 0.257 nan 8.190 nan 0.000 0.455 349 L N 0.328 121.241 121.223 -0.516 0.000 2.027 349 L HA -0.165 4.176 4.340 0.001 0.000 0.206 349 L C 2.600 179.108 176.870 -0.602 0.000 1.074 349 L CA 1.806 56.277 54.840 -0.616 0.000 0.745 349 L CB -0.778 40.737 42.059 -0.906 0.000 0.898 349 L HN 0.426 nan 8.230 nan 0.000 0.433 350 N N 0.069 118.540 118.700 -0.382 0.000 2.069 350 N HA -0.304 4.437 4.740 0.001 0.000 0.191 350 N C 2.070 177.469 175.510 -0.185 0.000 1.031 350 N CA 1.999 54.956 53.050 -0.156 0.000 0.852 350 N CB -0.190 38.223 38.487 -0.123 0.000 1.018 350 N HN 0.409 nan 8.380 nan 0.000 0.423 351 Y N 1.574 121.677 120.300 -0.330 0.000 2.181 351 Y HA -0.120 4.431 4.550 0.001 0.000 0.288 351 Y C 2.417 178.132 175.900 -0.310 0.000 1.146 351 Y CA 2.197 60.088 58.100 -0.347 0.000 1.164 351 Y CB -0.785 37.467 38.460 -0.345 0.000 0.982 351 Y HN -0.009 nan 8.280 nan 0.000 0.515 352 T N 1.111 115.459 114.554 -0.342 0.000 2.720 352 T HA -0.185 4.166 4.350 0.001 0.000 0.268 352 T C 1.668 176.143 174.700 -0.376 0.000 1.037 352 T CA 1.966 63.848 62.100 -0.363 0.000 1.144 352 T CB -0.177 68.603 68.868 -0.146 0.000 0.864 352 T HN 0.302 nan 8.240 nan 0.000 0.444 353 M N 1.160 120.568 119.600 -0.319 0.000 2.394 353 M HA 0.116 4.597 4.480 0.001 0.000 0.266 353 M C 2.504 178.680 176.300 -0.206 0.000 1.098 353 M CA 1.125 56.295 55.300 -0.216 0.000 1.149 353 M CB -1.454 31.089 32.600 -0.094 0.000 1.369 353 M HN 0.424 nan 8.290 nan 0.000 0.450 354 T N -3.461 110.946 114.554 -0.245 0.000 3.022 354 T HA 0.245 4.596 4.350 0.001 0.000 0.250 354 T C 1.517 176.003 174.700 -0.357 0.000 1.060 354 T CA 0.200 62.155 62.100 -0.242 0.000 1.013 354 T CB 0.102 68.873 68.868 -0.163 0.000 0.982 354 T HN 0.070 nan 8.240 nan 0.000 0.508 355 V N 0.540 120.143 119.914 -0.519 0.000 3.054 355 V HA 0.482 4.603 4.120 0.001 0.000 0.227 355 V C 2.887 178.670 176.094 -0.518 0.000 1.252 355 V CA 0.566 62.534 62.300 -0.554 0.000 1.279 355 V CB -0.524 30.750 31.823 -0.916 0.000 1.118 355 V HN 0.452 nan 8.190 nan 0.000 0.504 356 A N -0.166 122.200 122.820 -0.756 0.000 2.014 356 A HA -0.081 4.239 4.320 0.001 0.000 0.218 356 A C 1.992 179.401 177.584 -0.292 0.000 1.163 356 A CA 1.375 53.099 52.037 -0.522 0.000 0.652 356 A CB -0.414 18.255 19.000 -0.553 0.000 0.808 356 A HN 0.373 nan 8.150 nan 0.000 0.449 357 L N -0.098 120.945 121.223 -0.300 0.000 2.275 357 L HA -0.006 4.335 4.340 0.001 0.000 0.215 357 L C 2.107 178.855 176.870 -0.202 0.000 1.119 357 L CA 1.459 56.169 54.840 -0.216 0.000 0.790 357 L CB -0.737 41.197 42.059 -0.208 0.000 0.919 357 L HN 0.347 nan 8.230 nan 0.000 0.443 358 R N -0.340 119.998 120.500 -0.270 0.000 2.323 358 R HA 0.330 4.671 4.340 0.001 0.000 0.198 358 R C 0.569 176.785 176.300 -0.139 0.000 0.988 358 R CA 0.533 56.452 56.100 -0.302 0.000 1.041 358 R CB -0.208 29.682 30.300 -0.682 0.000 0.926 358 R HN 0.414 nan 8.270 nan 0.000 0.476 359 G N -1.009 107.753 108.800 -0.064 0.000 2.539 359 G HA2 -0.279 3.681 3.960 0.001 0.000 0.686 359 G HA3 -0.279 3.681 3.960 0.001 0.000 0.686 359 G C -0.253 174.711 174.900 0.108 0.000 1.258 359 G CA -0.509 44.613 45.100 0.038 0.000 0.846 359 G HN 0.100 nan 8.290 nan 0.000 0.647 360 Y N 0.517 120.835 120.300 0.029 0.000 2.081 360 Y HA -0.193 4.357 4.550 0.001 0.000 0.280 360 Y C 2.582 178.527 175.900 0.076 0.000 1.163 360 Y CA 2.931 61.061 58.100 0.051 0.000 1.135 360 Y CB 0.096 38.587 38.460 0.051 0.000 0.970 360 Y HN 0.603 nan 8.280 nan 0.000 0.498 361 D N -1.336 119.231 120.400 0.279 0.000 2.144 361 D HA -0.223 4.418 4.640 0.001 0.000 0.200 361 D C 1.932 178.289 176.300 0.094 0.000 0.978 361 D CA 1.499 55.614 54.000 0.192 0.000 0.833 361 D CB -0.761 40.148 40.800 0.181 0.000 0.961 361 D HN 0.481 nan 8.370 nan 0.000 0.470 362 Y N 1.748 122.050 120.300 0.004 0.000 2.181 362 Y HA -0.197 4.354 4.550 0.001 0.000 0.288 362 Y C 2.285 178.156 175.900 -0.048 0.000 1.146 362 Y CA 1.695 59.782 58.100 -0.022 0.000 1.164 362 Y CB -0.209 38.221 38.460 -0.050 0.000 0.982 362 Y HN -0.057 nan 8.280 nan 0.000 0.515 363 A N 0.072 122.912 122.820 0.033 0.000 1.858 363 A HA -0.206 4.115 4.320 0.001 0.000 0.216 363 A C 2.126 179.620 177.584 -0.150 0.000 1.190 363 A CA 1.704 53.698 52.037 -0.071 0.000 0.617 363 A CB -0.710 18.199 19.000 -0.152 0.000 0.827 363 A HN 0.511 nan 8.150 nan 0.000 0.443 364 Q N -0.548 119.114 119.800 -0.229 0.000 2.077 364 Q HA -0.284 4.056 4.340 0.001 0.000 0.206 364 Q C 2.239 178.228 176.000 -0.018 0.000 0.989 364 Q CA 2.155 57.864 55.803 -0.157 0.000 0.853 364 Q CB -0.565 28.161 28.738 -0.020 0.000 0.907 364 Q HN 0.902 nan 8.270 nan 0.000 0.418 365 Q N -0.441 119.333 119.800 -0.043 0.000 2.084 365 Q HA -0.212 4.129 4.340 0.001 0.000 0.202 365 Q C 2.047 177.961 176.000 -0.143 0.000 0.978 365 Q CA 1.419 57.183 55.803 -0.064 0.000 0.844 365 Q CB -0.238 28.411 28.738 -0.147 0.000 0.898 365 Q HN 0.425 nan 8.270 nan 0.000 0.426 366 Y N 0.728 120.806 120.300 -0.369 0.000 2.181 366 Y HA -0.232 4.318 4.550 0.001 0.000 0.288 366 Y C 1.744 177.457 175.900 -0.311 0.000 1.146 366 Y CA 1.710 59.602 58.100 -0.347 0.000 1.164 366 Y CB -0.211 38.055 38.460 -0.323 0.000 0.982 366 Y HN 0.108 nan 8.280 nan 0.000 0.515 367 L N -1.241 119.779 121.223 -0.339 0.000 1.994 367 L HA -0.256 4.085 4.340 0.001 0.000 0.208 367 L C 2.271 178.803 176.870 -0.565 0.000 1.071 367 L CA 1.592 55.988 54.840 -0.739 0.000 0.745 367 L CB -0.898 40.163 42.059 -1.663 0.000 0.892 367 L HN 0.217 nan 8.230 nan 0.000 0.431 368 Y N -0.258 119.874 120.300 -0.280 0.000 2.165 368 Y HA -0.285 4.266 4.550 0.001 0.000 0.286 368 Y C 2.844 178.623 175.900 -0.201 0.000 1.155 368 Y CA 1.591 59.633 58.100 -0.096 0.000 1.164 368 Y CB -0.484 37.961 38.460 -0.025 0.000 0.978 368 Y HN 0.094 nan 8.280 nan 0.000 0.513 369 R N 0.396 120.814 120.500 -0.138 0.000 2.096 369 R HA -0.215 4.126 4.340 0.001 0.000 0.235 369 R C 2.369 178.457 176.300 -0.354 0.000 1.127 369 R CA 1.677 57.642 56.100 -0.224 0.000 0.968 369 R CB -0.377 29.769 30.300 -0.257 0.000 0.861 369 R HN 0.428 nan 8.270 nan 0.000 0.440 370 M N 0.646 119.914 119.600 -0.554 0.000 2.065 370 M HA -0.200 4.281 4.480 0.001 0.000 0.259 370 M C 1.896 177.816 176.300 -0.634 0.000 1.069 370 M CA 1.740 56.604 55.300 -0.727 0.000 1.110 370 M CB -0.136 31.972 32.600 -0.819 0.000 1.328 370 M HN 0.266 nan 8.290 nan 0.000 0.405 371 L N -0.073 120.949 121.223 -0.336 0.000 2.042 371 L HA -0.154 4.187 4.340 0.001 0.000 0.210 371 L C 2.715 179.498 176.870 -0.144 0.000 1.076 371 L CA 1.412 56.158 54.840 -0.156 0.000 0.749 371 L CB -1.584 40.417 42.059 -0.097 0.000 0.893 371 L HN 0.543 nan 8.230 nan 0.000 0.432 372 G N -0.013 108.688 108.800 -0.166 0.000 2.446 372 G HA2 -0.254 3.707 3.960 0.001 0.000 0.217 372 G HA3 -0.254 3.707 3.960 0.001 0.000 0.217 372 G C 1.739 176.626 174.900 -0.022 0.000 1.168 372 G CA 0.530 45.578 45.100 -0.088 0.000 0.771 372 G HN 0.299 nan 8.290 nan 0.000 0.551 373 R N -0.958 119.484 120.500 -0.096 0.000 2.092 373 R HA -0.026 4.314 4.340 0.001 0.000 0.231 373 R C 2.336 178.733 176.300 0.161 0.000 1.119 373 R CA 0.993 57.095 56.100 0.003 0.000 0.970 373 R CB -0.475 29.767 30.300 -0.096 0.000 0.864 373 R HN 0.389 nan 8.270 nan 0.000 0.440 374 Y N 1.250 121.556 120.300 0.011 0.000 2.145 374 Y HA -0.116 4.434 4.550 0.001 0.000 0.286 374 Y C 2.441 178.340 175.900 -0.002 0.000 1.145 374 Y CA 0.739 58.839 58.100 -0.000 0.000 1.148 374 Y CB -0.647 37.785 38.460 -0.046 0.000 0.981 374 Y HN -0.034 nan 8.280 nan 0.000 0.507 375 R N -1.218 119.373 120.500 0.152 0.000 2.096 375 R HA -0.263 4.077 4.340 0.001 0.000 0.240 375 R C 2.209 178.551 176.300 0.070 0.000 1.139 375 R CA 2.044 58.187 56.100 0.073 0.000 0.952 375 R CB -0.873 29.463 30.300 0.061 0.000 0.854 375 R HN 0.389 nan 8.270 nan 0.000 0.436 376 Y N 1.469 121.782 120.300 0.023 0.000 2.145 376 Y HA -0.277 4.274 4.550 0.001 0.000 0.286 376 Y C 2.617 178.537 175.900 0.034 0.000 1.145 376 Y CA 1.851 59.966 58.100 0.025 0.000 1.148 376 Y CB -0.275 38.203 38.460 0.030 0.000 0.981 376 Y HN 0.080 nan 8.280 nan 0.000 0.507 377 Q N 0.015 119.878 119.800 0.104 0.000 2.096 377 Q HA -0.246 4.094 4.340 0.001 0.000 0.204 377 Q C 2.295 178.259 176.000 -0.060 0.000 0.982 377 Q CA 1.843 57.662 55.803 0.026 0.000 0.850 377 Q CB -0.382 28.448 28.738 0.153 0.000 0.901 377 Q HN 0.613 nan 8.270 nan 0.000 0.422 378 A N 0.357 123.158 122.820 -0.032 0.000 1.930 378 A HA -0.020 4.301 4.320 0.001 0.000 0.217 378 A C 2.188 179.717 177.584 -0.092 0.000 1.175 378 A CA 1.493 53.496 52.037 -0.056 0.000 0.627 378 A CB -0.674 18.296 19.000 -0.050 0.000 0.815 378 A HN 0.533 nan 8.150 nan 0.000 0.443 379 A N -0.002 122.733 122.820 -0.142 0.000 1.929 379 A HA 0.066 4.387 4.320 0.001 0.000 0.216 379 A C 2.174 179.699 177.584 -0.100 0.000 1.176 379 A CA 1.260 53.225 52.037 -0.120 0.000 0.628 379 A CB -0.663 18.203 19.000 -0.224 0.000 0.816 379 A HN 0.842 nan 8.150 nan 0.000 0.444 380 L N -0.172 120.904 121.223 -0.246 0.000 2.012 380 L HA -0.034 4.307 4.340 0.001 0.000 0.210 380 L C 1.631 178.431 176.870 -0.117 0.000 1.073 380 L CA 1.852 56.548 54.840 -0.240 0.000 0.748 380 L CB -1.130 40.680 42.059 -0.415 0.000 0.891 380 L HN 0.487 nan 8.230 nan 0.000 0.431 381 E N 0.000 120.138 120.200 -0.104 0.000 2.725 381 E HA 0.000 4.351 4.350 0.001 0.000 0.291 381 E CA 0.000 56.357 56.400 -0.072 0.000 0.976 381 E CB 0.000 29.649 29.700 -0.085 0.000 0.812 381 E HN 0.000 nan 8.360 nan 0.000 0.440