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 2w6f_1_F DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.890 174.700 0.317 0.000 1.109 9 T CA 0.000 62.227 62.100 0.212 0.000 1.349 9 T CB 0.000 69.003 68.868 0.226 0.000 0.612 10 T N 0.627 115.294 114.554 0.188 0.000 2.786 10 T HA 0.790 5.140 4.350 0.000 0.000 0.283 10 T C 0.629 175.063 174.700 -0.443 0.000 0.992 10 T CA -0.474 61.604 62.100 -0.037 0.000 0.954 10 T CB 1.434 70.266 68.868 -0.060 0.000 0.934 10 T HN 1.175 nan 8.240 nan 0.000 0.440 11 G N 1.908 110.082 108.800 -1.044 0.000 2.705 11 G HA2 0.743 4.703 3.960 0.000 0.000 0.299 11 G HA3 0.743 4.703 3.960 0.000 0.000 0.299 11 G C -0.952 173.579 174.900 -0.615 0.000 1.315 11 G CA -1.226 42.980 45.100 -1.490 0.000 1.045 11 G HN 0.700 nan 8.290 nan 0.000 0.517 12 R N -0.930 119.313 120.500 -0.428 0.000 2.621 12 R HA 0.387 4.727 4.340 0.000 0.000 0.292 12 R C -0.361 175.849 176.300 -0.151 0.000 0.969 12 R CA -0.697 55.268 56.100 -0.224 0.000 0.887 12 R CB 2.224 32.430 30.300 -0.157 0.000 1.180 12 R HN 0.393 nan 8.270 nan 0.000 0.450 13 I N 4.371 124.881 120.570 -0.101 0.000 2.581 13 I HA -0.084 4.086 4.170 0.000 0.000 0.285 13 I C 1.618 177.707 176.117 -0.047 0.000 1.129 13 I CA 0.129 61.394 61.300 -0.059 0.000 1.397 13 I CB 0.836 38.812 38.000 -0.040 0.000 1.399 13 I HN 0.588 nan 8.210 nan 0.000 0.537 14 V N 4.132 124.025 119.914 -0.034 0.000 2.672 14 V HA 0.433 4.553 4.120 0.000 0.000 0.242 14 V C 0.789 176.874 176.094 -0.015 0.000 1.059 14 V CA 0.730 63.015 62.300 -0.025 0.000 1.081 14 V CB 0.043 31.855 31.823 -0.019 0.000 0.752 14 V HN 0.696 nan 8.190 nan 0.000 0.472 15 A N -0.587 122.228 122.820 -0.009 0.000 2.539 15 A HA 0.842 5.162 4.320 0.000 0.000 0.296 15 A C -1.205 176.377 177.584 -0.003 0.000 1.073 15 A CA -0.453 51.581 52.037 -0.005 0.000 0.700 15 A CB 2.345 21.344 19.000 -0.001 0.000 1.296 15 A HN 0.573 nan 8.150 nan 0.000 0.405 16 V N 1.464 121.376 119.914 -0.003 0.000 2.668 16 V HA 0.528 4.648 4.120 0.000 0.000 0.304 16 V C -1.464 174.629 176.094 -0.002 0.000 1.071 16 V CA -0.093 62.206 62.300 -0.002 0.000 0.894 16 V CB 1.487 33.308 31.823 -0.004 0.000 1.008 16 V HN 0.684 nan 8.190 nan 0.000 0.425 17 I N 4.502 125.072 120.570 -0.001 0.000 2.540 17 I HA 0.696 4.866 4.170 0.000 0.000 0.280 17 I C 0.776 176.891 176.117 -0.002 0.000 1.083 17 I CA 0.706 62.005 61.300 -0.002 0.000 1.080 17 I CB 1.492 39.491 38.000 -0.002 0.000 1.205 17 I HN 0.846 nan 8.210 nan 0.000 0.459 18 G N 4.631 113.429 108.800 -0.003 0.000 2.622 18 G HA2 -0.276 3.684 3.960 0.000 0.000 0.307 18 G HA3 -0.276 3.684 3.960 0.000 0.000 0.307 18 G C 0.848 175.746 174.900 -0.002 0.000 1.226 18 G CA 0.605 45.702 45.100 -0.004 0.000 0.997 18 G HN 1.057 nan 8.290 nan 0.000 0.551 19 A N -0.777 122.041 122.820 -0.004 0.000 2.337 19 A HA 0.613 4.933 4.320 0.000 0.000 0.227 19 A C 0.613 178.198 177.584 0.002 0.000 1.259 19 A CA 1.199 53.236 52.037 -0.001 0.000 0.870 19 A CB 0.158 19.156 19.000 -0.004 0.000 0.927 19 A HN 1.346 nan 8.150 nan 0.000 0.497 20 V N 1.335 121.250 119.914 0.002 0.000 2.313 20 V HA 0.276 4.396 4.120 0.000 0.000 0.278 20 V C -0.534 175.565 176.094 0.009 0.000 1.017 20 V CA -0.424 61.880 62.300 0.006 0.000 0.823 20 V CB 1.265 33.090 31.823 0.004 0.000 1.010 20 V HN 0.100 nan 8.190 nan 0.000 0.443 21 V N 4.143 124.066 119.914 0.015 0.000 2.370 21 V HA 0.432 4.552 4.120 0.000 0.000 0.283 21 V C -0.413 175.696 176.094 0.025 0.000 1.023 21 V CA -0.606 61.704 62.300 0.016 0.000 0.857 21 V CB 1.849 33.682 31.823 0.017 0.000 0.985 21 V HN 0.759 nan 8.190 nan 0.000 0.443 22 D N 3.607 124.020 120.400 0.020 0.000 2.274 22 D HA 0.537 5.177 4.640 0.000 0.000 0.239 22 D C -0.516 175.798 176.300 0.024 0.000 1.104 22 D CA 0.075 54.092 54.000 0.029 0.000 0.840 22 D CB 1.938 42.750 40.800 0.020 0.000 1.100 22 D HN 0.279 nan 8.370 nan 0.000 0.477 23 V N 2.594 122.538 119.914 0.050 0.000 2.540 23 V HA 0.368 4.488 4.120 0.000 0.000 0.302 23 V C -0.061 176.071 176.094 0.063 0.000 1.035 23 V CA -0.970 61.347 62.300 0.028 0.000 0.873 23 V CB 1.816 33.675 31.823 0.059 0.000 0.992 23 V HN 0.400 nan 8.190 nan 0.000 0.428 24 Q N 2.807 122.584 119.800 -0.038 0.000 2.256 24 Q HA 0.645 4.985 4.340 0.000 0.000 0.257 24 Q C -1.905 174.036 176.000 -0.099 0.000 0.936 24 Q CA -0.399 55.403 55.803 -0.002 0.000 0.903 24 Q CB 1.448 30.166 28.738 -0.034 0.000 1.263 24 Q HN 0.612 nan 8.270 nan 0.000 0.440 25 F N 1.666 121.586 119.950 -0.050 0.000 2.522 25 F HA 0.303 4.830 4.527 0.000 0.000 0.324 25 F C 0.547 176.321 175.800 -0.043 0.000 1.077 25 F CA -0.549 57.423 58.000 -0.047 0.000 0.944 25 F CB 2.009 40.973 39.000 -0.060 0.000 1.175 25 F HN 0.663 nan 8.300 nan 0.000 0.468 26 D N 0.139 120.612 120.400 0.122 0.000 2.369 26 D HA 0.016 4.656 4.640 0.000 0.000 0.231 26 D C -0.130 176.214 176.300 0.073 0.000 0.967 26 D CA 1.014 55.052 54.000 0.064 0.000 0.905 26 D CB 0.396 41.208 40.800 0.019 0.000 1.044 26 D HN 0.471 nan 8.370 nan 0.000 0.487 27 E N 0.357 120.617 120.200 0.100 0.000 2.191 27 E HA 0.486 4.836 4.350 0.000 0.000 0.263 27 E C 0.071 176.714 176.600 0.072 0.000 0.881 27 E CA -0.852 55.587 56.400 0.065 0.000 0.757 27 E CB 2.136 31.864 29.700 0.047 0.000 1.147 27 E HN 0.118 nan 8.360 nan 0.000 0.414 28 G N 2.547 111.353 108.800 0.010 0.000 2.788 28 G HA2 -0.213 3.747 3.960 0.000 0.000 0.249 28 G HA3 -0.213 3.747 3.960 0.000 0.000 0.249 28 G C -0.805 173.980 174.900 -0.193 0.000 1.008 28 G CA -0.633 44.433 45.100 -0.055 0.000 1.220 28 G HN 0.320 nan 8.290 nan 0.000 0.506 29 L N 5.182 126.257 121.223 -0.247 0.000 2.290 29 L HA 0.607 4.947 4.340 0.000 0.000 0.284 29 L C -1.204 175.411 176.870 -0.424 0.000 1.078 29 L CA -2.353 52.228 54.840 -0.433 0.000 0.815 29 L CB 0.645 42.489 42.059 -0.358 0.000 1.162 29 L HN 0.396 nan 8.230 nan 0.000 0.435 30 P HA 0.295 nan 4.420 nan 0.000 0.275 30 P C -2.743 174.530 177.300 -0.045 0.000 1.227 30 P CA -1.432 61.483 63.100 -0.308 0.000 0.781 30 P CB 0.059 31.542 31.700 -0.362 0.000 0.906 31 P HA 0.166 nan 4.420 nan 0.000 0.272 31 P C 0.311 177.641 177.300 0.049 0.000 1.230 31 P CA -0.105 63.048 63.100 0.088 0.000 0.788 31 P CB 0.403 32.100 31.700 -0.004 0.000 0.949 32 I N 2.297 122.830 120.570 -0.062 0.000 2.710 32 I HA -0.071 4.099 4.170 0.000 0.000 0.286 32 I C 1.447 177.493 176.117 -0.118 0.000 1.181 32 I CA 0.567 61.801 61.300 -0.109 0.000 1.430 32 I CB -0.343 37.532 38.000 -0.210 0.000 1.367 32 I HN 0.439 nan 8.210 nan 0.000 0.577 33 L N 2.101 123.248 121.223 -0.126 0.000 3.558 33 L HA -0.217 4.123 4.340 0.000 0.000 0.422 33 L C 0.237 177.052 176.870 -0.092 0.000 0.740 33 L CA 0.090 54.810 54.840 -0.200 0.000 2.578 33 L CB -1.363 40.486 42.059 -0.350 0.000 1.116 33 L HN 0.683 nan 8.230 nan 0.000 0.626 34 N N 1.337 120.008 118.700 -0.049 0.000 2.492 34 N HA 0.455 5.195 4.740 0.000 0.000 0.260 34 N C 0.219 175.732 175.510 0.005 0.000 1.215 34 N CA 0.996 54.034 53.050 -0.020 0.000 0.923 34 N CB 1.010 39.477 38.487 -0.034 0.000 1.092 34 N HN 0.301 nan 8.380 nan 0.000 0.448 35 A N 3.257 126.089 122.820 0.020 0.000 2.289 35 A HA 0.513 4.833 4.320 0.000 0.000 0.298 35 A C -0.305 177.300 177.584 0.035 0.000 1.208 35 A CA -0.583 51.474 52.037 0.034 0.000 0.845 35 A CB 0.038 19.059 19.000 0.036 0.000 1.125 35 A HN 0.625 nan 8.150 nan 0.000 0.517 36 L N 1.968 123.222 121.223 0.053 0.000 2.331 36 L HA 0.541 4.881 4.340 0.000 0.000 0.275 36 L C -0.110 176.793 176.870 0.056 0.000 1.022 36 L CA -0.773 54.113 54.840 0.076 0.000 0.812 36 L CB 1.425 43.563 42.059 0.132 0.000 1.257 36 L HN 0.609 nan 8.230 nan 0.000 0.435 37 E N 2.011 122.241 120.200 0.050 0.000 2.145 37 E HA 0.322 4.672 4.350 0.000 0.000 0.270 37 E C -0.788 175.827 176.600 0.024 0.000 0.906 37 E CA -0.666 55.752 56.400 0.029 0.000 0.761 37 E CB 2.815 32.524 29.700 0.016 0.000 1.116 37 E HN 0.221 nan 8.360 nan 0.000 0.408 38 V N 3.692 123.615 119.914 0.016 0.000 2.637 38 V HA -0.032 4.088 4.120 0.000 0.000 0.296 38 V C 0.524 176.616 176.094 -0.003 0.000 1.046 38 V CA -0.093 62.209 62.300 0.003 0.000 1.066 38 V CB 0.929 32.753 31.823 0.002 0.000 0.968 38 V HN 0.511 nan 8.190 nan 0.000 0.483 39 Q N 2.250 122.043 119.800 -0.013 0.000 2.222 39 Q HA 0.520 4.860 4.340 0.000 0.000 0.252 39 Q C 0.823 176.814 176.000 -0.015 0.000 0.926 39 Q CA 0.341 56.135 55.803 -0.014 0.000 0.899 39 Q CB 1.527 30.253 28.738 -0.019 0.000 1.250 39 Q HN 1.149 nan 8.270 nan 0.000 0.441 40 G N 2.061 110.854 108.800 -0.012 0.000 2.255 40 G HA2 -0.219 3.741 3.960 0.000 0.000 0.239 40 G HA3 -0.219 3.741 3.960 0.000 0.000 0.239 40 G C -0.250 174.645 174.900 -0.009 0.000 1.083 40 G CA -0.224 44.869 45.100 -0.012 0.000 0.826 40 G HN 0.396 nan 8.290 nan 0.000 0.493 41 R N -0.981 119.515 120.500 -0.007 0.000 2.686 41 R HA 0.417 4.757 4.340 0.000 0.000 0.283 41 R C 1.009 177.306 176.300 -0.004 0.000 0.978 41 R CA -0.613 55.484 56.100 -0.005 0.000 0.897 41 R CB 1.259 31.557 30.300 -0.004 0.000 1.192 41 R HN 0.264 nan 8.270 nan 0.000 0.457 42 E N 0.244 120.442 120.200 -0.003 0.000 2.118 42 E HA -0.143 4.207 4.350 0.000 0.000 0.195 42 E C 0.718 177.317 176.600 -0.002 0.000 0.992 42 E CA 1.581 57.979 56.400 -0.003 0.000 0.804 42 E CB 0.100 29.799 29.700 -0.002 0.000 0.741 42 E HN 0.647 nan 8.360 nan 0.000 0.458 43 T N -2.087 112.467 114.554 -0.001 0.000 2.907 43 T HA 0.403 4.753 4.350 0.000 0.000 0.290 43 T C -0.268 174.432 174.700 0.001 0.000 1.066 43 T CA -1.131 60.969 62.100 0.000 0.000 1.012 43 T CB 1.867 70.736 68.868 0.001 0.000 1.184 43 T HN -0.092 nan 8.240 nan 0.000 0.522 44 R N 0.387 120.888 120.500 0.002 0.000 2.502 44 R HA 0.322 4.662 4.340 0.000 0.000 0.292 44 R C -1.083 175.221 176.300 0.006 0.000 0.998 44 R CA -0.322 55.779 56.100 0.003 0.000 1.056 44 R CB -0.148 30.153 30.300 0.003 0.000 0.939 44 R HN 0.559 nan 8.270 nan 0.000 0.411 45 L N 5.874 127.102 121.223 0.007 0.000 2.388 45 L HA 0.304 4.644 4.340 0.000 0.000 0.267 45 L C -1.319 175.561 176.870 0.016 0.000 0.995 45 L CA -0.500 54.347 54.840 0.011 0.000 0.864 45 L CB 1.756 43.820 42.059 0.009 0.000 1.216 45 L HN 0.282 nan 8.230 nan 0.000 0.430 46 V N 5.686 125.612 119.914 0.020 0.000 2.465 46 V HA 0.405 4.525 4.120 0.000 0.000 0.279 46 V C 0.202 176.316 176.094 0.032 0.000 1.045 46 V CA -0.465 61.851 62.300 0.026 0.000 0.938 46 V CB 1.428 33.267 31.823 0.027 0.000 0.986 46 V HN 0.551 nan 8.190 nan 0.000 0.467 47 L N 4.310 125.557 121.223 0.039 0.000 2.305 47 L HA 0.547 4.887 4.340 0.000 0.000 0.284 47 L C 0.102 177.001 176.870 0.049 0.000 1.013 47 L CA -0.266 54.601 54.840 0.044 0.000 0.819 47 L CB 1.737 43.827 42.059 0.052 0.000 1.227 47 L HN 0.706 nan 8.230 nan 0.000 0.417 48 E N 3.172 123.401 120.200 0.048 0.000 2.109 48 E HA 0.313 4.663 4.350 0.000 0.000 0.278 48 E C -0.851 175.768 176.600 0.032 0.000 0.954 48 E CA -0.759 55.669 56.400 0.047 0.000 0.779 48 E CB 1.631 31.373 29.700 0.071 0.000 1.093 48 E HN 0.323 nan 8.360 nan 0.000 0.401 49 V N 3.979 123.907 119.914 0.023 0.000 2.694 49 V HA 0.048 4.168 4.120 0.000 0.000 0.306 49 V C 0.964 177.057 176.094 -0.001 0.000 1.054 49 V CA 1.110 63.427 62.300 0.028 0.000 1.161 49 V CB 0.947 32.793 31.823 0.037 0.000 0.916 49 V HN 0.909 nan 8.190 nan 0.000 0.490 50 A N 3.736 126.564 122.820 0.014 0.000 2.138 50 A HA 0.360 4.680 4.320 0.000 0.000 0.203 50 A C 0.522 178.096 177.584 -0.017 0.000 1.286 50 A CA 0.466 52.496 52.037 -0.011 0.000 0.929 50 A CB 0.377 19.377 19.000 0.000 0.000 0.975 50 A HN 0.934 nan 8.150 nan 0.000 0.480 51 Q N -1.184 118.634 119.800 0.030 0.000 2.647 51 Q HA 0.309 4.649 4.340 0.000 0.000 0.283 51 Q C -1.835 174.263 176.000 0.163 0.000 0.943 51 Q CA -0.743 55.071 55.803 0.018 0.000 0.813 51 Q CB 0.436 29.177 28.738 0.004 0.000 1.477 51 Q HN 0.492 nan 8.270 nan 0.000 0.393 52 H N 1.559 120.621 119.070 -0.014 0.000 2.641 52 H HA 0.294 4.850 4.556 -0.000 0.000 0.295 52 H C 0.463 175.790 175.328 -0.001 0.000 1.070 52 H CA -0.509 55.533 56.048 -0.009 0.000 1.257 52 H CB 1.019 30.771 29.762 -0.017 0.000 1.393 52 H HN 0.426 nan 8.280 nan 0.000 0.464 53 L N 2.977 124.270 121.223 0.116 0.000 2.622 53 L HA 0.094 4.434 4.340 0.000 0.000 0.233 53 L C 1.256 178.157 176.870 0.052 0.000 1.156 53 L CA 0.427 55.307 54.840 0.066 0.000 0.866 53 L CB -0.387 41.700 42.059 0.046 0.000 0.980 53 L HN 0.897 nan 8.230 nan 0.000 0.448 54 G N 0.347 109.182 108.800 0.058 0.000 2.781 54 G HA2 -0.224 3.736 3.960 0.000 0.000 0.683 54 G HA3 -0.224 3.736 3.960 0.000 0.000 0.683 54 G C 0.097 175.006 174.900 0.016 0.000 1.390 54 G CA -0.271 44.849 45.100 0.034 0.000 0.850 54 G HN 0.371 nan 8.290 nan 0.000 0.557 55 E N -1.091 119.115 120.200 0.009 0.000 2.553 55 E HA -0.188 4.162 4.350 0.000 0.000 0.264 55 E C 0.987 177.589 176.600 0.004 0.000 1.068 55 E CA 1.196 57.599 56.400 0.007 0.000 0.774 55 E CB -1.479 28.227 29.700 0.009 0.000 1.349 55 E HN 2.000 nan 8.360 nan 0.000 0.404 56 S N -1.495 114.199 115.700 -0.009 0.000 3.473 56 S HA -0.223 4.247 4.470 0.000 0.000 0.339 56 S C 0.132 174.743 174.600 0.018 0.000 1.148 56 S CA 1.541 59.735 58.200 -0.009 0.000 0.969 56 S CB -0.816 62.396 63.200 0.020 0.000 0.936 56 S HN 0.459 nan 8.310 nan 0.000 0.530 57 T N 1.174 115.732 114.554 0.007 0.000 2.888 57 T HA 0.653 5.003 4.350 0.000 0.000 0.284 57 T C 0.125 174.841 174.700 0.027 0.000 1.017 57 T CA -0.356 61.766 62.100 0.037 0.000 1.022 57 T CB 1.922 70.809 68.868 0.033 0.000 1.013 57 T HN 0.493 nan 8.240 nan 0.000 0.465 58 V N 0.771 120.727 119.914 0.070 0.000 2.604 58 V HA 0.753 4.873 4.120 0.000 0.000 0.305 58 V C -0.380 175.768 176.094 0.090 0.000 1.043 58 V CA -1.345 61.005 62.300 0.084 0.000 0.888 58 V CB 1.633 33.503 31.823 0.078 0.000 0.995 58 V HN 0.886 nan 8.190 nan 0.000 0.429 59 R N 2.877 123.428 120.500 0.085 0.000 2.312 59 R HA 0.761 5.101 4.340 0.000 0.000 0.311 59 R C -0.044 176.289 176.300 0.056 0.000 1.004 59 R CA 0.397 56.532 56.100 0.059 0.000 0.902 59 R CB 1.539 31.865 30.300 0.043 0.000 1.073 59 R HN 1.153 nan 8.270 nan 0.000 0.457 60 T N 1.232 115.814 114.554 0.048 0.000 2.907 60 T HA 0.531 4.881 4.350 0.000 0.000 0.290 60 T C -0.150 174.568 174.700 0.030 0.000 1.066 60 T CA -0.899 61.227 62.100 0.043 0.000 1.012 60 T CB 1.141 70.043 68.868 0.058 0.000 1.184 60 T HN 0.476 nan 8.240 nan 0.000 0.522 61 I N 1.846 122.432 120.570 0.028 0.000 2.382 61 I HA 0.542 4.712 4.170 0.000 0.000 0.285 61 I C 0.801 176.932 176.117 0.024 0.000 1.007 61 I CA -1.197 60.115 61.300 0.020 0.000 1.142 61 I CB 1.319 39.329 38.000 0.017 0.000 1.289 61 I HN 0.978 nan 8.210 nan 0.000 0.453 62 A N 7.225 130.056 122.820 0.018 0.000 2.483 62 A HA 0.287 4.607 4.320 0.000 0.000 0.238 62 A C 0.935 178.531 177.584 0.020 0.000 1.070 62 A CA 0.058 52.107 52.037 0.019 0.000 0.770 62 A CB 0.330 19.337 19.000 0.013 0.000 1.008 62 A HN 0.767 nan 8.150 nan 0.000 0.497 63 M N 0.555 120.169 119.600 0.022 0.000 2.428 63 M HA 0.200 4.680 4.480 0.000 0.000 0.239 63 M C -0.097 176.214 176.300 0.018 0.000 1.121 63 M CA 0.536 55.850 55.300 0.023 0.000 1.019 63 M CB -0.904 31.713 32.600 0.029 0.000 1.485 63 M HN 0.766 nan 8.290 nan 0.000 0.484 64 D N -0.943 119.466 120.400 0.014 0.000 2.643 64 D HA 0.437 5.077 4.640 0.000 0.000 0.283 64 D C -0.522 175.782 176.300 0.008 0.000 1.242 64 D CA -0.171 53.836 54.000 0.011 0.000 0.863 64 D CB 1.651 42.458 40.800 0.011 0.000 1.382 64 D HN 0.124 nan 8.370 nan 0.000 0.444 65 G N -0.571 108.233 108.800 0.006 0.000 2.368 65 G HA2 0.240 4.200 3.960 0.000 0.000 0.233 65 G HA3 0.240 4.200 3.960 0.000 0.000 0.233 65 G C 0.891 175.793 174.900 0.003 0.000 1.267 65 G CA 0.733 45.835 45.100 0.003 0.000 0.873 65 G HN 0.406 nan 8.290 nan 0.000 0.539 66 T N -1.028 113.527 114.554 0.002 0.000 3.105 66 T HA 0.198 4.548 4.350 0.000 0.000 0.253 66 T C 0.443 175.142 174.700 -0.001 0.000 1.047 66 T CA -0.167 61.934 62.100 0.001 0.000 0.944 66 T CB -0.017 68.851 68.868 0.001 0.000 1.016 66 T HN 0.585 nan 8.240 nan 0.000 0.544 67 E N 1.375 121.574 120.200 -0.001 0.000 2.413 67 E HA 0.459 4.809 4.350 0.000 0.000 0.263 67 E C 1.440 178.038 176.600 -0.003 0.000 1.015 67 E CA 0.487 56.886 56.400 -0.002 0.000 0.916 67 E CB -0.307 29.392 29.700 -0.002 0.000 0.947 67 E HN 0.265 nan 8.360 nan 0.000 0.440 68 G N 1.635 110.433 108.800 -0.004 0.000 2.284 68 G HA2 -0.295 3.665 3.960 0.000 0.000 0.230 68 G HA3 -0.295 3.665 3.960 0.000 0.000 0.230 68 G C 0.229 175.124 174.900 -0.007 0.000 1.021 68 G CA -0.022 45.074 45.100 -0.005 0.000 0.619 68 G HN 0.418 nan 8.290 nan 0.000 0.510 69 L N 0.830 122.049 121.223 -0.007 0.000 2.492 69 L HA 0.432 4.772 4.340 0.000 0.000 0.280 69 L C 0.616 177.479 176.870 -0.011 0.000 1.240 69 L CA 0.075 54.910 54.840 -0.009 0.000 0.831 69 L CB 0.681 42.735 42.059 -0.008 0.000 1.100 69 L HN 0.086 nan 8.230 nan 0.000 0.505 70 V N 1.486 121.391 119.914 -0.015 0.000 2.841 70 V HA 0.375 4.495 4.120 0.000 0.000 0.310 70 V C -0.062 176.019 176.094 -0.022 0.000 1.090 70 V CA -0.970 61.320 62.300 -0.017 0.000 0.930 70 V CB 1.963 33.776 31.823 -0.017 0.000 1.014 70 V HN 0.659 nan 8.190 nan 0.000 0.425 71 R N 1.815 122.303 120.500 -0.020 0.000 2.698 71 R HA 0.412 4.752 4.340 0.000 0.000 0.266 71 R C 1.386 177.667 176.300 -0.031 0.000 1.026 71 R CA 1.085 57.170 56.100 -0.025 0.000 1.102 71 R CB 0.094 30.381 30.300 -0.021 0.000 0.978 71 R HN 1.270 nan 8.270 nan 0.000 0.436 72 G N 0.878 109.653 108.800 -0.041 0.000 2.205 72 G HA2 -0.369 3.591 3.960 0.000 0.000 0.261 72 G HA3 -0.369 3.591 3.960 0.000 0.000 0.261 72 G C 0.211 175.077 174.900 -0.057 0.000 0.980 72 G CA 0.401 45.471 45.100 -0.050 0.000 0.632 72 G HN 0.624 nan 8.290 nan 0.000 0.533 73 Q N 1.059 120.828 119.800 -0.051 0.000 2.395 73 Q HA 0.393 4.733 4.340 0.000 0.000 0.271 73 Q C 0.347 176.304 176.000 -0.073 0.000 1.026 73 Q CA 0.058 55.830 55.803 -0.051 0.000 0.900 73 Q CB 0.390 29.106 28.738 -0.038 0.000 1.266 73 Q HN 0.319 nan 8.270 nan 0.000 0.430 74 K N 2.268 122.626 120.400 -0.070 0.000 2.249 74 K HA 0.336 4.656 4.320 0.000 0.000 0.280 74 K C -0.994 175.558 176.600 -0.080 0.000 1.033 74 K CA -0.407 55.825 56.287 -0.093 0.000 0.946 74 K CB 1.390 33.846 32.500 -0.073 0.000 1.005 74 K HN 0.379 nan 8.250 nan 0.000 0.469 75 V N 3.488 123.332 119.914 -0.116 0.000 2.656 75 V HA 0.345 4.465 4.120 0.000 0.000 0.307 75 V C -0.800 175.281 176.094 -0.023 0.000 1.051 75 V CA -1.055 61.208 62.300 -0.062 0.000 0.893 75 V CB 1.912 33.702 31.823 -0.054 0.000 0.999 75 V HN 0.554 nan 8.190 nan 0.000 0.426 76 L N 3.222 124.483 121.223 0.062 0.000 2.305 76 L HA 0.560 4.900 4.340 0.000 0.000 0.284 76 L C -0.183 176.784 176.870 0.163 0.000 1.013 76 L CA -0.137 54.772 54.840 0.114 0.000 0.819 76 L CB 1.526 43.616 42.059 0.052 0.000 1.227 76 L HN 0.717 nan 8.230 nan 0.000 0.417 77 D N 1.743 122.279 120.400 0.227 0.000 2.412 77 D HA -0.035 4.605 4.640 0.000 0.000 0.257 77 D C 1.180 177.507 176.300 0.045 0.000 1.217 77 D CA 0.687 54.749 54.000 0.103 0.000 0.897 77 D CB 1.216 42.014 40.800 -0.002 0.000 1.132 77 D HN 0.604 nan 8.370 nan 0.000 0.493 78 S N 2.892 118.608 115.700 0.027 0.000 2.507 78 S HA 0.043 4.513 4.470 0.000 0.000 0.235 78 S C 1.762 176.358 174.600 -0.008 0.000 0.988 78 S CA 0.755 58.959 58.200 0.006 0.000 0.944 78 S CB -0.246 62.954 63.200 -0.001 0.000 0.762 78 S HN 0.923 nan 8.310 nan 0.000 0.526 79 G N 0.356 109.148 108.800 -0.014 0.000 2.225 79 G HA2 -0.018 3.942 3.960 0.000 0.000 0.254 79 G HA3 -0.018 3.942 3.960 0.000 0.000 0.254 79 G C 0.219 175.107 174.900 -0.019 0.000 0.988 79 G CA 0.010 45.096 45.100 -0.022 0.000 0.625 79 G HN 1.560 nan 8.290 nan 0.000 0.527 80 A N -0.504 122.308 122.820 -0.012 0.000 2.533 80 A HA 0.963 5.283 4.320 0.000 0.000 0.293 80 A C -3.059 174.532 177.584 0.011 0.000 1.228 80 A CA -0.694 51.342 52.037 -0.002 0.000 0.689 80 A CB 1.120 20.121 19.000 0.002 0.000 1.303 80 A HN 0.156 nan 8.150 nan 0.000 0.444 81 P HA 0.427 nan 4.420 nan 0.000 0.278 81 P C -0.433 176.916 177.300 0.081 0.000 1.258 81 P CA -0.430 62.713 63.100 0.071 0.000 0.811 81 P CB 0.257 32.031 31.700 0.124 0.000 1.063 82 I N 1.203 121.837 120.570 0.106 0.000 2.919 82 I HA -0.120 4.050 4.170 0.000 0.000 0.299 82 I C 1.140 177.297 176.117 0.066 0.000 1.221 82 I CA 1.082 62.425 61.300 0.072 0.000 1.424 82 I CB -0.249 37.792 38.000 0.069 0.000 1.358 82 I HN 0.184 nan 8.210 nan 0.000 0.551 83 R N 7.064 127.597 120.500 0.055 0.000 2.637 83 R HA 0.756 5.096 4.340 0.000 0.000 0.291 83 R C -0.712 175.682 176.300 0.156 0.000 0.963 83 R CA -0.783 55.371 56.100 0.090 0.000 0.901 83 R CB 2.212 32.554 30.300 0.070 0.000 1.160 83 R HN 0.598 nan 8.270 nan 0.000 0.457 84 I N -1.390 119.302 120.570 0.203 0.000 2.865 84 I HA 0.578 4.748 4.170 0.000 0.000 0.302 84 I C -2.685 173.505 176.117 0.122 0.000 1.140 84 I CA -3.317 58.113 61.300 0.217 0.000 1.021 84 I CB 2.456 40.489 38.000 0.056 0.000 1.233 84 I HN 0.316 nan 8.210 nan 0.000 0.427 85 P HA 0.097 nan 4.420 nan 0.000 0.262 85 P C -0.611 176.404 177.300 -0.475 0.000 1.199 85 P CA 0.037 62.753 63.100 -0.640 0.000 0.763 85 P CB 0.521 32.007 31.700 -0.356 0.000 0.790 86 V N 1.330 120.865 119.914 -0.630 0.000 2.823 86 V HA 1.030 5.150 4.120 0.000 0.000 0.312 86 V C -0.001 175.504 176.094 -0.982 0.000 1.072 86 V CA -0.149 61.736 62.300 -0.692 0.000 0.937 86 V CB 1.687 33.150 31.823 -0.601 0.000 1.013 86 V HN 0.880 nan 8.190 nan 0.000 0.430 87 G N 3.768 111.858 108.800 -1.183 0.000 2.369 87 G HA2 0.260 4.220 3.960 0.000 0.000 0.295 87 G HA3 0.260 4.220 3.960 0.000 0.000 0.295 87 G C -2.890 171.867 174.900 -0.238 0.000 1.298 87 G CA 0.077 44.612 45.100 -0.941 0.000 0.940 87 G HN 0.607 nan 8.290 nan 0.000 0.536 88 P HA 0.071 nan 4.420 nan 0.000 0.229 88 P C 1.152 178.460 177.300 0.013 0.000 1.160 88 P CA 1.216 64.401 63.100 0.142 0.000 0.777 88 P CB 0.117 31.899 31.700 0.136 0.000 0.814 89 E N -0.119 120.055 120.200 -0.044 0.000 2.511 89 E HA -0.044 4.306 4.350 0.000 0.000 0.196 89 E C 1.140 177.711 176.600 -0.049 0.000 1.066 89 E CA 0.968 57.338 56.400 -0.049 0.000 0.871 89 E CB -1.352 28.309 29.700 -0.065 0.000 0.863 89 E HN 0.375 nan 8.360 nan 0.000 0.520 90 T N -1.825 112.703 114.554 -0.043 0.000 3.044 90 T HA 0.181 4.531 4.350 0.000 0.000 0.250 90 T C 1.044 175.760 174.700 0.027 0.000 1.081 90 T CA -0.357 61.729 62.100 -0.023 0.000 1.040 90 T CB -0.138 68.701 68.868 -0.048 0.000 0.962 90 T HN 0.010 nan 8.240 nan 0.000 0.506 91 L N 2.203 123.436 121.223 0.016 0.000 2.534 91 L HA 0.414 4.754 4.340 0.000 0.000 0.271 91 L C 1.586 178.463 176.870 0.011 0.000 1.178 91 L CA 1.034 55.861 54.840 -0.023 0.000 0.907 91 L CB 0.141 42.110 42.059 -0.150 0.000 1.164 91 L HN 0.607 nan 8.230 nan 0.000 0.482 92 G N 2.256 111.083 108.800 0.046 0.000 2.179 92 G HA2 -0.209 3.751 3.960 0.000 0.000 0.260 92 G HA3 -0.209 3.751 3.960 0.000 0.000 0.260 92 G C 0.252 175.218 174.900 0.109 0.000 0.977 92 G CA -0.401 44.744 45.100 0.075 0.000 0.641 92 G HN 0.459 nan 8.290 nan 0.000 0.533 93 R N -0.300 120.248 120.500 0.081 0.000 2.732 93 R HA 0.749 5.089 4.340 0.000 0.000 0.278 93 R C 0.206 176.534 176.300 0.046 0.000 0.976 93 R CA -1.013 55.123 56.100 0.060 0.000 0.963 93 R CB 1.048 31.364 30.300 0.027 0.000 1.150 93 R HN 0.278 nan 8.270 nan 0.000 0.478 94 I N 2.878 123.438 120.570 -0.017 0.000 2.377 94 I HA 0.441 4.611 4.170 0.000 0.000 0.293 94 I C 0.511 176.631 176.117 0.005 0.000 0.987 94 I CA -0.462 60.823 61.300 -0.025 0.000 1.185 94 I CB 1.465 39.345 38.000 -0.200 0.000 1.341 94 I HN 0.329 nan 8.210 nan 0.000 0.455 95 M N 5.184 124.816 119.600 0.052 0.000 2.631 95 M HA 0.519 4.999 4.480 0.000 0.000 0.288 95 M C -1.409 174.926 176.300 0.057 0.000 1.260 95 M CA -0.631 54.692 55.300 0.037 0.000 0.842 95 M CB 2.356 34.969 32.600 0.022 0.000 1.743 95 M HN 0.393 nan 8.290 nan 0.000 0.461 96 N N 0.586 119.313 118.700 0.044 0.000 2.347 96 N HA 0.247 4.987 4.740 0.000 0.000 0.253 96 N C 1.038 176.570 175.510 0.036 0.000 1.274 96 N CA -0.185 52.891 53.050 0.044 0.000 0.941 96 N CB 1.143 39.649 38.487 0.032 0.000 1.200 96 N HN 0.585 nan 8.380 nan 0.000 0.514 97 V N 0.706 120.640 119.914 0.034 0.000 2.343 97 V HA -0.195 3.926 4.120 0.000 0.000 0.247 97 V C 1.734 177.840 176.094 0.019 0.000 1.051 97 V CA 1.638 63.951 62.300 0.022 0.000 1.036 97 V CB -0.798 31.040 31.823 0.025 0.000 0.654 97 V HN 0.754 nan 8.190 nan 0.000 0.451 98 I N -0.720 119.866 120.570 0.026 0.000 3.752 98 I HA 0.542 4.712 4.170 0.000 0.000 0.313 98 I C 1.337 177.478 176.117 0.040 0.000 1.304 98 I CA 0.563 61.881 61.300 0.030 0.000 1.171 98 I CB -0.762 37.254 38.000 0.027 0.000 1.038 98 I HN 0.322 nan 8.210 nan 0.000 0.427 99 G N 1.223 110.047 108.800 0.039 0.000 2.168 99 G HA2 -0.289 3.671 3.960 0.000 0.000 0.257 99 G HA3 -0.289 3.671 3.960 0.000 0.000 0.257 99 G C -0.117 174.817 174.900 0.056 0.000 0.997 99 G CA 0.427 45.557 45.100 0.051 0.000 0.708 99 G HN 0.731 nan 8.290 nan 0.000 0.520 100 E N 1.280 121.505 120.200 0.041 0.000 2.266 100 E HA 0.417 4.767 4.350 0.000 0.000 0.277 100 E C -2.287 174.328 176.600 0.024 0.000 1.018 100 E CA -2.162 54.260 56.400 0.037 0.000 0.840 100 E CB 1.361 31.076 29.700 0.026 0.000 1.082 100 E HN 0.182 nan 8.360 nan 0.000 0.395 101 P HA -0.002 nan 4.420 nan 0.000 0.269 101 P C 0.172 177.467 177.300 -0.008 0.000 1.209 101 P CA 0.414 63.517 63.100 0.004 0.000 0.776 101 P CB 0.381 32.084 31.700 0.005 0.000 0.876 102 I N -1.396 119.156 120.570 -0.031 0.000 3.597 102 I HA 0.270 4.440 4.170 0.000 0.000 0.323 102 I C -0.066 175.993 176.117 -0.097 0.000 1.535 102 I CA -0.328 60.943 61.300 -0.050 0.000 1.028 102 I CB 0.290 38.262 38.000 -0.047 0.000 1.354 102 I HN 0.039 nan 8.210 nan 0.000 0.544 103 D N 0.282 120.629 120.400 -0.088 0.000 2.440 103 D HA 0.056 4.696 4.640 0.000 0.000 0.216 103 D C 0.369 176.655 176.300 -0.025 0.000 1.150 103 D CA -0.259 53.673 54.000 -0.113 0.000 0.832 103 D CB -0.003 40.712 40.800 -0.142 0.000 0.992 103 D HN 0.444 nan 8.370 nan 0.000 0.502 104 E N 0.157 120.348 120.200 -0.015 0.000 2.328 104 E HA -0.256 4.094 4.350 0.000 0.000 0.233 104 E C 0.048 176.659 176.600 0.019 0.000 1.219 104 E CA 0.285 56.688 56.400 0.006 0.000 0.717 104 E CB -0.889 28.818 29.700 0.012 0.000 1.210 104 E HN 0.394 nan 8.360 nan 0.000 0.381 105 R N -0.296 120.216 120.500 0.020 0.000 2.662 105 R HA 0.292 4.632 4.340 0.000 0.000 0.396 105 R C 0.613 176.926 176.300 0.021 0.000 1.096 105 R CA 0.257 56.373 56.100 0.027 0.000 1.081 105 R CB 1.244 31.568 30.300 0.040 0.000 1.382 105 R HN 0.324 nan 8.270 nan 0.000 0.580 106 G N 1.905 110.715 108.800 0.017 0.000 2.728 106 G HA2 -0.204 3.756 3.960 0.000 0.000 0.294 106 G HA3 -0.204 3.756 3.960 0.000 0.000 0.294 106 G C -2.779 172.131 174.900 0.018 0.000 1.342 106 G CA -1.248 43.862 45.100 0.017 0.000 0.866 106 G HN 0.037 nan 8.290 nan 0.000 0.534 107 P HA 0.525 nan 4.420 nan 0.000 0.274 107 P C 0.000 177.314 177.300 0.023 0.000 1.231 107 P CA -0.438 62.680 63.100 0.030 0.000 0.790 107 P CB 0.540 32.263 31.700 0.038 0.000 0.951 108 I N 2.341 122.926 120.570 0.025 0.000 2.281 108 I HA 0.153 4.323 4.170 0.000 0.000 0.293 108 I C 0.754 176.865 176.117 -0.010 0.000 1.085 108 I CA -0.052 61.244 61.300 -0.006 0.000 1.257 108 I CB -0.022 37.963 38.000 -0.025 0.000 1.430 108 I HN 0.057 nan 8.210 nan 0.000 0.489 109 K N 5.870 126.260 120.400 -0.017 0.000 2.231 109 K HA 0.273 4.593 4.320 0.000 0.000 0.275 109 K C -0.078 176.482 176.600 -0.067 0.000 1.105 109 K CA -0.319 55.961 56.287 -0.011 0.000 0.931 109 K CB 0.609 33.115 32.500 0.009 0.000 1.296 109 K HN 0.606 nan 8.250 nan 0.000 0.446 110 T N -1.047 113.423 114.554 -0.141 0.000 2.918 110 T HA 0.313 4.663 4.350 0.000 0.000 0.286 110 T C 0.932 175.520 174.700 -0.186 0.000 1.026 110 T CA -1.034 60.915 62.100 -0.252 0.000 1.031 110 T CB 2.034 70.587 68.868 -0.526 0.000 1.046 110 T HN 0.284 nan 8.240 nan 0.000 0.479 111 K N 0.553 120.855 120.400 -0.163 0.000 2.044 111 K HA 0.015 4.335 4.320 0.000 0.000 0.204 111 K C 0.363 176.922 176.600 -0.069 0.000 1.049 111 K CA 1.000 57.245 56.287 -0.070 0.000 0.945 111 K CB -0.039 32.439 32.500 -0.038 0.000 0.724 111 K HN 0.592 nan 8.250 nan 0.000 0.440 112 Q N -0.477 119.205 119.800 -0.196 0.000 2.297 112 Q HA 0.469 4.809 4.340 0.000 0.000 0.269 112 Q C -1.050 174.672 176.000 -0.464 0.000 1.051 112 Q CA -0.493 55.215 55.803 -0.159 0.000 0.869 112 Q CB 1.101 29.777 28.738 -0.104 0.000 1.346 112 Q HN -0.050 nan 8.270 nan 0.000 0.457 113 F N 0.160 120.065 119.950 -0.074 0.000 2.540 113 F HA 0.779 5.306 4.527 0.000 0.000 0.317 113 F C -0.391 175.376 175.800 -0.055 0.000 1.104 113 F CA -0.830 57.127 58.000 -0.073 0.000 0.913 113 F CB 1.988 40.960 39.000 -0.046 0.000 1.170 113 F HN 0.630 nan 8.300 nan 0.000 0.450 114 A N 1.893 124.753 122.820 0.067 0.000 2.355 114 A HA 0.894 5.214 4.320 0.000 0.000 0.324 114 A C -0.967 176.654 177.584 0.063 0.000 1.117 114 A CA -0.701 51.364 52.037 0.046 0.000 0.785 114 A CB 1.030 20.025 19.000 -0.009 0.000 1.254 114 A HN 0.905 nan 8.150 nan 0.000 0.453 115 A N 1.279 124.133 122.820 0.057 0.000 2.331 115 A HA 0.509 4.829 4.320 0.000 0.000 0.283 115 A C 1.053 178.653 177.584 0.027 0.000 1.142 115 A CA -0.140 51.934 52.037 0.060 0.000 0.812 115 A CB -0.137 18.909 19.000 0.078 0.000 1.074 115 A HN 1.542 nan 8.150 nan 0.000 0.497 116 I N -0.597 119.967 120.570 -0.009 0.000 2.916 116 I HA -0.016 4.154 4.170 0.000 0.000 0.267 116 I C -0.125 175.858 176.117 -0.224 0.000 1.263 116 I CA 0.760 61.982 61.300 -0.130 0.000 1.471 116 I CB -0.366 37.518 38.000 -0.195 0.000 1.089 116 I HN 0.478 nan 8.210 nan 0.000 0.468 117 H N 2.407 121.481 119.070 0.007 0.000 2.581 117 H HA 0.755 5.311 4.556 -0.000 0.000 0.308 117 H C -0.436 174.893 175.328 0.002 0.000 1.040 117 H CA -0.259 55.791 56.048 0.005 0.000 1.231 117 H CB 1.530 31.297 29.762 0.008 0.000 1.396 117 H HN 0.392 nan 8.280 nan 0.000 0.467 118 A N 3.412 126.286 122.820 0.090 0.000 2.485 118 A HA 0.476 4.796 4.320 0.000 0.000 0.292 118 A C -0.218 177.392 177.584 0.043 0.000 1.147 118 A CA -0.861 51.207 52.037 0.051 0.000 0.750 118 A CB 1.984 20.996 19.000 0.019 0.000 1.331 118 A HN 0.634 nan 8.150 nan 0.000 0.419 119 E N 0.068 120.286 120.200 0.030 0.000 2.280 119 E HA 0.537 4.887 4.350 0.000 0.000 0.264 119 E C -0.018 176.592 176.600 0.017 0.000 1.064 119 E CA -0.554 55.862 56.400 0.026 0.000 0.900 119 E CB 1.718 31.433 29.700 0.024 0.000 1.123 119 E HN 0.773 nan 8.360 nan 0.000 0.418 120 A N 2.294 125.125 122.820 0.019 0.000 2.371 120 A HA 0.378 4.698 4.320 0.000 0.000 0.257 120 A C -2.166 175.428 177.584 0.017 0.000 1.089 120 A CA -1.254 50.790 52.037 0.012 0.000 0.794 120 A CB -0.388 18.623 19.000 0.018 0.000 1.029 120 A HN 0.299 nan 8.150 nan 0.000 0.488 121 P HA 0.049 nan 4.420 nan 0.000 0.264 121 P C -0.148 177.168 177.300 0.027 0.000 1.179 121 P CA 0.233 63.338 63.100 0.007 0.000 0.763 121 P CB 0.361 32.056 31.700 -0.009 0.000 0.806 122 E N 1.367 121.588 120.200 0.035 0.000 2.371 122 E HA 0.025 4.375 4.350 0.000 0.000 0.257 122 E C 0.912 177.567 176.600 0.092 0.000 1.134 122 E CA -0.362 56.083 56.400 0.074 0.000 0.919 122 E CB 0.157 29.900 29.700 0.071 0.000 1.025 122 E HN 0.380 nan 8.360 nan 0.000 0.438 123 F N 2.029 121.979 119.950 -0.001 0.000 2.065 123 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 123 F C 2.015 177.813 175.800 -0.002 0.000 1.112 123 F CA 2.265 60.264 58.000 -0.001 0.000 1.212 123 F CB -0.472 38.527 39.000 -0.001 0.000 0.975 123 F HN 0.293 nan 8.300 nan 0.000 0.476 124 V N -1.511 118.457 119.914 0.090 0.000 2.828 124 V HA -0.228 3.892 4.120 0.000 0.000 0.260 124 V C 1.569 177.618 176.094 -0.075 0.000 1.101 124 V CA 2.082 64.378 62.300 -0.007 0.000 1.123 124 V CB -1.206 30.656 31.823 0.065 0.000 0.704 124 V HN 0.535 nan 8.190 nan 0.000 0.493 125 E N -0.321 119.841 120.200 -0.064 0.000 2.442 125 E HA 0.129 4.479 4.350 0.000 0.000 0.195 125 E C 0.718 177.259 176.600 -0.098 0.000 1.030 125 E CA -0.163 56.200 56.400 -0.061 0.000 0.869 125 E CB -0.097 29.585 29.700 -0.030 0.000 0.857 125 E HN 0.457 nan 8.360 nan 0.000 0.505 126 M N 1.185 120.686 119.600 -0.166 0.000 2.219 126 M HA 0.056 4.536 4.480 0.000 0.000 0.307 126 M C 0.513 176.720 176.300 -0.155 0.000 1.116 126 M CA 0.186 55.379 55.300 -0.179 0.000 1.181 126 M CB 0.558 32.988 32.600 -0.284 0.000 1.410 126 M HN -0.116 nan 8.290 nan 0.000 0.454 127 S N 0.360 115.990 115.700 -0.118 0.000 2.600 127 S HA 0.784 5.254 4.470 0.000 0.000 0.300 127 S C -0.147 174.404 174.600 -0.082 0.000 1.087 127 S CA -0.502 57.645 58.200 -0.088 0.000 0.965 127 S CB 1.414 64.577 63.200 -0.061 0.000 1.089 127 S HN 0.728 nan 8.310 nan 0.000 0.496 128 V N -0.357 119.519 119.914 -0.064 0.000 3.265 128 V HA 0.542 4.662 4.120 0.000 0.000 0.346 128 V C -0.391 175.684 176.094 -0.032 0.000 1.447 128 V CA -0.542 61.728 62.300 -0.049 0.000 1.179 128 V CB 0.100 31.891 31.823 -0.054 0.000 1.103 128 V HN 0.665 nan 8.190 nan 0.000 0.530 129 E N 2.342 122.525 120.200 -0.028 0.000 2.338 129 E HA 0.415 4.765 4.350 0.000 0.000 0.272 129 E C -0.431 176.163 176.600 -0.010 0.000 1.029 129 E CA 0.217 56.607 56.400 -0.017 0.000 0.872 129 E CB 1.179 30.869 29.700 -0.016 0.000 1.015 129 E HN 0.618 nan 8.360 nan 0.000 0.417 130 Q N 2.334 122.132 119.800 -0.003 0.000 2.401 130 Q HA 0.303 4.643 4.340 0.000 0.000 0.260 130 Q C -0.562 175.446 176.000 0.014 0.000 1.034 130 Q CA -0.259 55.547 55.803 0.005 0.000 0.737 130 Q CB 1.809 30.550 28.738 0.005 0.000 1.227 130 Q HN 0.429 nan 8.270 nan 0.000 0.488 131 E N 2.603 122.815 120.200 0.019 0.000 2.183 131 E HA 0.397 4.747 4.350 0.000 0.000 0.271 131 E C -0.833 175.793 176.600 0.043 0.000 0.919 131 E CA -0.661 55.756 56.400 0.028 0.000 0.781 131 E CB 1.873 31.588 29.700 0.024 0.000 1.140 131 E HN 0.543 nan 8.360 nan 0.000 0.402 132 I N 4.427 125.028 120.570 0.052 0.000 2.634 132 I HA 0.083 4.253 4.170 0.000 0.000 0.284 132 I C -0.897 175.265 176.117 0.074 0.000 1.124 132 I CA -0.335 61.007 61.300 0.070 0.000 1.417 132 I CB 0.508 38.557 38.000 0.081 0.000 1.396 132 I HN 0.450 nan 8.210 nan 0.000 0.571 133 L N 8.903 130.182 121.223 0.093 0.000 2.301 133 L HA 0.396 4.736 4.340 0.000 0.000 0.278 133 L C -0.838 176.076 176.870 0.073 0.000 1.022 133 L CA -0.316 54.580 54.840 0.094 0.000 0.854 133 L CB 1.122 43.259 42.059 0.130 0.000 1.226 133 L HN 0.347 nan 8.230 nan 0.000 0.429 134 V N 4.122 124.067 119.914 0.052 0.000 2.614 134 V HA 0.233 4.353 4.120 0.000 0.000 0.291 134 V C 1.375 177.474 176.094 0.008 0.000 1.049 134 V CA 0.596 62.909 62.300 0.023 0.000 1.038 134 V CB 1.047 32.887 31.823 0.028 0.000 0.980 134 V HN 0.924 nan 8.190 nan 0.000 0.481 135 T N -0.528 114.004 114.554 -0.038 0.000 2.971 135 T HA 0.326 4.676 4.350 0.000 0.000 0.252 135 T C 1.328 176.005 174.700 -0.039 0.000 1.022 135 T CA 0.783 62.860 62.100 -0.039 0.000 0.980 135 T CB 0.636 69.436 68.868 -0.112 0.000 1.044 135 T HN 1.522 nan 8.240 nan 0.000 0.501 136 G N 1.797 110.579 108.800 -0.031 0.000 2.175 136 G HA2 -0.159 3.801 3.960 0.000 0.000 0.244 136 G HA3 -0.159 3.801 3.960 0.000 0.000 0.244 136 G C 0.007 174.905 174.900 -0.004 0.000 0.982 136 G CA 0.014 45.106 45.100 -0.014 0.000 0.641 136 G HN 0.599 nan 8.290 nan 0.000 0.527 137 I N 1.485 122.042 120.570 -0.020 0.000 2.312 137 I HA 0.204 4.374 4.170 0.000 0.000 0.291 137 I C 1.613 177.735 176.117 0.009 0.000 1.031 137 I CA -0.349 60.972 61.300 0.035 0.000 1.293 137 I CB 1.093 39.107 38.000 0.023 0.000 1.403 137 I HN 0.084 nan 8.210 nan 0.000 0.484 138 K N 4.072 124.480 120.400 0.012 0.000 1.987 138 K HA -0.161 4.159 4.320 0.000 0.000 0.216 138 K C 1.833 178.432 176.600 -0.001 0.000 1.051 138 K CA 1.611 57.902 56.287 0.006 0.000 0.942 138 K CB -0.214 32.259 32.500 -0.045 0.000 0.722 138 K HN 0.570 nan 8.250 nan 0.000 0.444 139 V N 0.856 120.762 119.914 -0.012 0.000 2.282 139 V HA -0.245 3.875 4.120 0.000 0.000 0.249 139 V C 2.382 178.447 176.094 -0.048 0.000 1.057 139 V CA 1.747 64.021 62.300 -0.043 0.000 1.032 139 V CB -0.891 30.927 31.823 -0.008 0.000 0.645 139 V HN 0.086 nan 8.190 nan 0.000 0.447 140 V N 0.622 120.504 119.914 -0.053 0.000 2.223 140 V HA -0.254 3.866 4.120 0.000 0.000 0.244 140 V C 2.499 178.517 176.094 -0.127 0.000 1.045 140 V CA 2.500 64.717 62.300 -0.138 0.000 1.000 140 V CB -0.786 30.855 31.823 -0.302 0.000 0.635 140 V HN 0.516 nan 8.190 nan 0.000 0.445 141 D N -0.201 120.135 120.400 -0.108 0.000 2.126 141 D HA -0.200 4.441 4.640 0.000 0.000 0.190 141 D C 1.910 178.268 176.300 0.097 0.000 1.001 141 D CA 1.672 55.659 54.000 -0.022 0.000 0.841 141 D CB -0.461 40.326 40.800 -0.022 0.000 0.949 141 D HN 0.329 nan 8.370 nan 0.000 0.446 142 L N 0.161 121.411 121.223 0.046 0.000 1.988 142 L HA -0.087 4.253 4.340 0.000 0.000 0.207 142 L C 2.140 179.087 176.870 0.127 0.000 1.071 142 L CA 1.609 56.507 54.840 0.097 0.000 0.744 142 L CB -0.484 41.502 42.059 -0.122 0.000 0.893 142 L HN 0.028 nan 8.230 nan 0.000 0.433 143 L N -1.077 120.135 121.223 -0.018 0.000 2.298 143 L HA 0.240 4.580 4.340 0.000 0.000 0.209 143 L C 0.971 177.827 176.870 -0.024 0.000 1.084 143 L CA 0.581 55.391 54.840 -0.050 0.000 0.816 143 L CB -0.250 41.759 42.059 -0.084 0.000 0.967 143 L HN 0.330 nan 8.230 nan 0.000 0.460 144 A N 0.215 123.038 122.820 0.005 0.000 3.410 144 A HA 0.403 4.723 4.320 0.000 0.000 0.276 144 A C -2.554 175.077 177.584 0.078 0.000 0.995 144 A CA -0.945 51.123 52.037 0.052 0.000 0.934 144 A CB -0.295 18.762 19.000 0.095 0.000 1.191 144 A HN -0.134 nan 8.150 nan 0.000 0.511 145 P HA -0.009 nan 4.420 nan 0.000 0.263 145 P C -0.505 176.904 177.300 0.182 0.000 1.175 145 P CA 0.736 63.859 63.100 0.039 0.000 0.761 145 P CB 0.426 32.160 31.700 0.057 0.000 0.794 146 Y N 1.367 121.691 120.300 0.041 0.000 2.286 146 Y HA 0.518 5.068 4.550 0.000 0.000 0.347 146 Y C 1.051 176.962 175.900 0.018 0.000 1.351 146 Y CA -1.561 56.554 58.100 0.025 0.000 1.640 146 Y CB -0.052 38.419 38.460 0.019 0.000 1.560 146 Y HN 0.450 nan 8.280 nan 0.000 0.574 147 A N 0.462 123.386 122.820 0.174 0.000 2.488 147 A HA 0.470 4.790 4.320 0.000 0.000 0.298 147 A C -0.913 176.698 177.584 0.044 0.000 1.044 147 A CA -1.158 50.931 52.037 0.087 0.000 0.693 147 A CB 0.976 20.009 19.000 0.055 0.000 1.272 147 A HN 0.644 nan 8.150 nan 0.000 0.402 148 K N 0.858 121.282 120.400 0.039 0.000 2.524 148 K HA 0.299 4.619 4.320 0.000 0.000 0.279 148 K C 1.233 177.829 176.600 -0.006 0.000 0.993 148 K CA 1.175 57.472 56.287 0.017 0.000 1.030 148 K CB 0.226 32.742 32.500 0.026 0.000 0.891 148 K HN 1.818 nan 8.250 nan 0.000 0.488 149 G N 1.881 110.664 108.800 -0.028 0.000 2.175 149 G HA2 -0.287 3.673 3.960 0.000 0.000 0.265 149 G HA3 -0.287 3.673 3.960 0.000 0.000 0.265 149 G C 0.519 175.388 174.900 -0.052 0.000 0.979 149 G CA 0.307 45.383 45.100 -0.041 0.000 0.663 149 G HN 0.887 nan 8.290 nan 0.000 0.533 150 G N -0.879 107.889 108.800 -0.053 0.000 2.557 150 G HA2 0.576 4.536 3.960 0.000 0.000 0.292 150 G HA3 0.576 4.536 3.960 0.000 0.000 0.292 150 G C -0.201 174.638 174.900 -0.101 0.000 1.237 150 G CA -0.666 44.400 45.100 -0.057 0.000 0.978 150 G HN 0.345 nan 8.290 nan 0.000 0.498 151 K N 0.166 120.510 120.400 -0.093 0.000 2.316 151 K HA 0.408 4.728 4.320 0.000 0.000 0.267 151 K C -0.725 175.782 176.600 -0.154 0.000 1.025 151 K CA -0.163 56.050 56.287 -0.123 0.000 0.896 151 K CB 1.532 33.988 32.500 -0.072 0.000 1.124 151 K HN 0.275 nan 8.250 nan 0.000 0.451 152 I N 1.107 121.520 120.570 -0.262 0.000 2.525 152 I HA 0.456 4.626 4.170 0.000 0.000 0.301 152 I C 0.474 176.431 176.117 -0.266 0.000 0.992 152 I CA -0.662 60.421 61.300 -0.361 0.000 1.162 152 I CB 2.076 39.612 38.000 -0.772 0.000 1.332 152 I HN 0.573 nan 8.210 nan 0.000 0.458 153 G N 5.724 114.419 108.800 -0.175 0.000 2.687 153 G HA2 0.687 4.647 3.960 0.000 0.000 0.301 153 G HA3 0.687 4.647 3.960 0.000 0.000 0.301 153 G C -1.203 173.648 174.900 -0.083 0.000 1.416 153 G CA -0.546 44.441 45.100 -0.187 0.000 1.005 153 G HN 0.437 nan 8.290 nan 0.000 0.509 154 L N 2.053 123.194 121.223 -0.135 0.000 2.295 154 L HA 0.455 4.795 4.340 0.000 0.000 0.281 154 L C -0.813 176.013 176.870 -0.073 0.000 1.018 154 L CA -0.653 54.200 54.840 0.020 0.000 0.841 154 L CB 0.926 43.024 42.059 0.064 0.000 1.218 154 L HN 0.318 nan 8.230 nan 0.000 0.424 155 F N 1.542 121.482 119.950 -0.018 0.000 2.410 155 F HA 0.658 5.185 4.527 -0.000 0.000 0.348 155 F C 1.022 176.805 175.800 -0.029 0.000 1.106 155 F CA -0.164 57.801 58.000 -0.057 0.000 1.163 155 F CB 1.763 40.720 39.000 -0.070 0.000 1.129 155 F HN 0.441 nan 8.300 nan 0.000 0.516 156 G N 1.542 110.376 108.800 0.056 0.000 2.766 156 G HA2 0.504 4.464 3.960 0.000 0.000 0.297 156 G HA3 0.504 4.464 3.960 0.000 0.000 0.297 156 G C -0.540 174.281 174.900 -0.133 0.000 1.431 156 G CA -0.548 44.562 45.100 0.017 0.000 1.042 156 G HN 0.935 nan 8.290 nan 0.000 0.542 157 G N -0.042 108.673 108.800 -0.141 0.000 2.611 157 G HA2 0.653 4.613 3.960 0.000 0.000 0.273 157 G HA3 0.653 4.613 3.960 0.000 0.000 0.273 157 G C 0.788 175.612 174.900 -0.127 0.000 1.305 157 G CA 0.318 45.245 45.100 -0.287 0.000 1.010 157 G HN 1.556 nan 8.290 nan 0.000 0.509 158 A N -1.350 121.474 122.820 0.006 0.000 2.540 158 A HA 0.501 4.821 4.320 0.000 0.000 0.239 158 A C 1.601 179.266 177.584 0.135 0.000 1.061 158 A CA 1.055 53.247 52.037 0.259 0.000 0.758 158 A CB -0.551 18.640 19.000 0.319 0.000 0.991 158 A HN 2.573 nan 8.150 nan 0.000 0.502 159 G N 1.111 109.992 108.800 0.134 0.000 2.305 159 G HA2 -0.183 3.777 3.960 0.000 0.000 0.287 159 G HA3 -0.183 3.777 3.960 0.000 0.000 0.287 159 G C 0.486 175.435 174.900 0.082 0.000 1.036 159 G CA 0.452 45.603 45.100 0.086 0.000 0.887 159 G HN 1.315 nan 8.290 nan 0.000 0.505 160 V N -1.284 118.688 119.914 0.098 0.000 3.307 160 V HA 0.531 4.651 4.120 0.000 0.000 0.253 160 V C 2.097 178.288 176.094 0.161 0.000 1.149 160 V CA 1.537 63.908 62.300 0.119 0.000 1.112 160 V CB 0.408 32.280 31.823 0.081 0.000 0.777 160 V HN 1.750 nan 8.190 nan 0.000 0.464 161 G N -0.004 108.876 108.800 0.133 0.000 2.507 161 G HA2 -0.131 3.829 3.960 0.000 0.000 0.205 161 G HA3 -0.131 3.829 3.960 0.000 0.000 0.205 161 G C 0.730 175.725 174.900 0.159 0.000 0.996 161 G CA 0.170 45.361 45.100 0.151 0.000 0.776 161 G HN 0.353 nan 8.290 nan 0.000 0.532 162 K N 0.259 120.742 120.400 0.138 0.000 2.009 162 K HA -0.069 4.251 4.320 0.000 0.000 0.210 162 K C 2.463 179.149 176.600 0.142 0.000 1.049 162 K CA 2.011 58.379 56.287 0.135 0.000 0.929 162 K CB -0.374 32.195 32.500 0.116 0.000 0.714 162 K HN 0.235 nan 8.250 nan 0.000 0.440 163 T N 1.124 115.761 114.554 0.137 0.000 2.777 163 T HA -0.085 4.265 4.350 0.000 0.000 0.266 163 T C 2.075 176.853 174.700 0.130 0.000 1.040 163 T CA 1.052 63.236 62.100 0.141 0.000 1.141 163 T CB -0.166 68.782 68.868 0.133 0.000 0.868 163 T HN -0.050 nan 8.240 nan 0.000 0.444 164 V N 1.507 121.501 119.914 0.133 0.000 2.407 164 V HA -0.103 4.017 4.120 0.000 0.000 0.248 164 V C 2.367 178.568 176.094 0.178 0.000 1.055 164 V CA 1.224 63.618 62.300 0.156 0.000 1.049 164 V CB -0.572 31.349 31.823 0.163 0.000 0.662 164 V HN 0.327 nan 8.190 nan 0.000 0.455 165 L N -0.420 120.931 121.223 0.212 0.000 2.093 165 L HA -0.073 4.267 4.340 0.000 0.000 0.208 165 L C 2.097 179.022 176.870 0.092 0.000 1.085 165 L CA 1.739 56.687 54.840 0.180 0.000 0.755 165 L CB -0.476 41.735 42.059 0.253 0.000 0.904 165 L HN 0.198 nan 8.230 nan 0.000 0.435 166 I N -1.272 119.372 120.570 0.124 0.000 2.226 166 I HA -0.305 3.865 4.170 0.000 0.000 0.245 166 I C 2.258 178.374 176.117 -0.002 0.000 1.100 166 I CA 0.960 62.336 61.300 0.126 0.000 1.374 166 I CB -0.118 37.996 38.000 0.189 0.000 1.057 166 I HN 0.305 nan 8.210 nan 0.000 0.413 167 M N -0.190 119.409 119.600 -0.003 0.000 2.067 167 M HA -0.239 4.241 4.480 0.000 0.000 0.260 167 M C 2.222 178.457 176.300 -0.108 0.000 1.069 167 M CA 1.730 56.993 55.300 -0.063 0.000 1.117 167 M CB -1.421 31.174 32.600 -0.009 0.000 1.334 167 M HN 0.110 nan 8.290 nan 0.000 0.407 168 E N 0.725 120.839 120.200 -0.144 0.000 2.118 168 E HA -0.140 4.210 4.350 0.000 0.000 0.195 168 E C 2.049 178.521 176.600 -0.214 0.000 0.992 168 E CA 1.255 57.482 56.400 -0.288 0.000 0.804 168 E CB -0.319 28.915 29.700 -0.777 0.000 0.741 168 E HN 0.481 nan 8.360 nan 0.000 0.458 169 L N -0.177 120.973 121.223 -0.121 0.000 2.093 169 L HA -0.110 4.231 4.340 0.000 0.000 0.208 169 L C 2.437 179.316 176.870 0.014 0.000 1.085 169 L CA 0.852 55.702 54.840 0.016 0.000 0.755 169 L CB -0.306 41.871 42.059 0.198 0.000 0.904 169 L HN 0.218 nan 8.230 nan 0.000 0.435 170 I N 0.023 120.501 120.570 -0.154 0.000 2.208 170 I HA -0.346 3.824 4.170 0.000 0.000 0.245 170 I C 2.296 178.351 176.117 -0.103 0.000 1.097 170 I CA 1.702 62.829 61.300 -0.287 0.000 1.363 170 I CB -0.279 37.437 38.000 -0.474 0.000 1.051 170 I HN 0.384 nan 8.210 nan 0.000 0.413 171 N N 1.086 119.729 118.700 -0.096 0.000 2.028 171 N HA -0.205 4.535 4.740 0.000 0.000 0.194 171 N C 1.578 177.071 175.510 -0.029 0.000 1.050 171 N CA 1.801 54.816 53.050 -0.059 0.000 0.848 171 N CB -0.052 38.394 38.487 -0.070 0.000 1.038 171 N HN 0.128 nan 8.380 nan 0.000 0.423 172 N N -0.923 117.754 118.700 -0.038 0.000 2.381 172 N HA -0.057 4.683 4.740 0.000 0.000 0.182 172 N C 1.006 176.532 175.510 0.028 0.000 1.025 172 N CA 0.687 53.728 53.050 -0.016 0.000 0.888 172 N CB 0.177 38.635 38.487 -0.047 0.000 0.965 172 N HN 0.181 nan 8.380 nan 0.000 0.438 173 V N -0.811 119.140 119.914 0.061 0.000 3.054 173 V HA 0.258 4.378 4.120 0.000 0.000 0.227 173 V C 1.955 178.128 176.094 0.131 0.000 1.252 173 V CA 0.784 63.146 62.300 0.104 0.000 1.279 173 V CB -0.617 31.290 31.823 0.140 0.000 1.118 173 V HN 0.134 nan 8.190 nan 0.000 0.504 174 A N 0.241 123.153 122.820 0.154 0.000 1.908 174 A HA -0.233 4.087 4.320 0.000 0.000 0.218 174 A C 2.146 179.816 177.584 0.144 0.000 1.181 174 A CA 2.103 54.243 52.037 0.172 0.000 0.627 174 A CB -0.493 18.601 19.000 0.155 0.000 0.818 174 A HN 0.474 nan 8.150 nan 0.000 0.445 175 K N -0.603 119.844 120.400 0.078 0.000 2.074 175 K HA -0.117 4.203 4.320 0.000 0.000 0.209 175 K C 1.161 177.803 176.600 0.071 0.000 1.048 175 K CA 1.300 57.622 56.287 0.058 0.000 0.926 175 K CB -0.275 32.238 32.500 0.022 0.000 0.713 175 K HN 0.426 nan 8.250 nan 0.000 0.444 176 A N 1.577 124.446 122.820 0.083 0.000 3.264 176 A HA 0.085 4.405 4.320 0.000 0.000 0.299 176 A C -0.835 176.815 177.584 0.110 0.000 1.272 176 A CA -0.384 51.695 52.037 0.070 0.000 1.030 176 A CB -0.460 18.567 19.000 0.046 0.000 1.102 176 A HN 0.290 nan 8.150 nan 0.000 0.615 177 H N -0.316 118.767 119.070 0.022 0.000 2.481 177 H HA 0.573 5.129 4.556 0.000 0.000 0.333 177 H C 0.411 175.728 175.328 -0.018 0.000 1.066 177 H CA 0.090 56.146 56.048 0.013 0.000 1.209 177 H CB 1.339 31.126 29.762 0.041 0.000 1.445 177 H HN 0.248 nan 8.280 nan 0.000 0.488 178 G N 3.029 111.538 108.800 -0.485 0.000 2.338 178 G HA2 0.526 4.486 3.960 0.000 0.000 0.295 178 G HA3 0.526 4.486 3.960 0.000 0.000 0.295 178 G C -0.114 174.283 174.900 -0.837 0.000 1.132 178 G CA 0.259 45.082 45.100 -0.463 0.000 0.922 178 G HN 1.054 nan 8.290 nan 0.000 0.427 179 G N 1.200 109.607 108.800 -0.655 0.000 2.354 179 G HA2 0.196 4.156 3.960 0.000 0.000 0.582 179 G HA3 0.196 4.156 3.960 0.000 0.000 0.582 179 G C -1.107 173.599 174.900 -0.323 0.000 1.316 179 G CA -1.058 43.646 45.100 -0.660 0.000 0.995 179 G HN 0.553 nan 8.290 nan 0.000 0.573 180 Y N -0.035 120.255 120.300 -0.016 0.000 2.480 180 Y HA 0.830 5.380 4.550 0.000 0.000 0.323 180 Y C 1.103 177.061 175.900 0.097 0.000 1.267 180 Y CA -0.854 57.205 58.100 -0.067 0.000 1.336 180 Y CB 1.760 39.925 38.460 -0.493 0.000 1.361 180 Y HN 0.618 nan 8.280 nan 0.000 0.518 181 S N -0.243 115.615 115.700 0.262 0.000 2.546 181 S HA 0.742 5.212 4.470 0.000 0.000 0.274 181 S C -1.577 173.159 174.600 0.227 0.000 1.121 181 S CA -0.789 57.552 58.200 0.235 0.000 0.887 181 S CB 2.049 65.421 63.200 0.288 0.000 1.094 181 S HN 0.272 nan 8.310 nan 0.000 0.474 182 V N 2.797 122.850 119.914 0.231 0.000 2.569 182 V HA 0.499 4.619 4.120 0.000 0.000 0.301 182 V C -1.369 174.861 176.094 0.226 0.000 1.044 182 V CA -0.615 61.808 62.300 0.205 0.000 0.874 182 V CB 1.351 33.264 31.823 0.149 0.000 1.002 182 V HN 0.848 nan 8.190 nan 0.000 0.424 183 F N 4.349 124.352 119.950 0.087 0.000 2.411 183 F HA 0.799 5.325 4.527 -0.000 0.000 0.352 183 F C 0.299 176.019 175.800 -0.134 0.000 1.123 183 F CA -0.537 57.489 58.000 0.043 0.000 1.044 183 F CB 1.270 40.282 39.000 0.019 0.000 1.135 183 F HN 0.566 nan 8.300 nan 0.000 0.461 184 A N 4.718 127.222 122.820 -0.527 0.000 2.285 184 A HA 0.637 4.957 4.320 0.000 0.000 0.310 184 A C -0.078 177.194 177.584 -0.520 0.000 1.266 184 A CA -0.364 51.430 52.037 -0.405 0.000 0.832 184 A CB 0.251 19.083 19.000 -0.280 0.000 1.163 184 A HN 1.019 nan 8.150 nan 0.000 0.499 185 G N 1.483 109.992 108.800 -0.485 0.000 2.350 185 G HA2 0.505 4.465 3.960 0.000 0.000 0.306 185 G HA3 0.505 4.465 3.960 0.000 0.000 0.306 185 G C -0.545 174.336 174.900 -0.032 0.000 1.094 185 G CA -0.174 44.838 45.100 -0.146 0.000 0.953 185 G HN 0.753 nan 8.290 nan 0.000 0.420 186 V N 2.498 122.408 119.914 -0.006 0.000 2.384 186 V HA 0.629 4.749 4.120 0.000 0.000 0.287 186 V C 1.217 177.351 176.094 0.068 0.000 1.020 186 V CA 0.205 62.520 62.300 0.026 0.000 0.850 186 V CB 0.931 32.755 31.823 0.000 0.000 0.987 186 V HN 1.312 nan 8.190 nan 0.000 0.436 187 G N 3.096 111.941 108.800 0.075 0.000 2.269 187 G HA2 -0.208 3.752 3.960 0.000 0.000 0.277 187 G HA3 -0.208 3.752 3.960 0.000 0.000 0.277 187 G C 0.270 175.213 174.900 0.072 0.000 1.008 187 G CA 0.729 45.867 45.100 0.063 0.000 0.774 187 G HN 0.642 nan 8.290 nan 0.000 0.511 188 E N -0.663 119.605 120.200 0.113 0.000 3.232 188 E HA 0.455 4.805 4.350 0.000 0.000 0.248 188 E C 0.903 177.566 176.600 0.105 0.000 1.048 188 E CA -0.868 55.599 56.400 0.112 0.000 1.204 188 E CB 0.548 30.339 29.700 0.151 0.000 1.535 188 E HN 0.398 nan 8.360 nan 0.000 0.567 189 R N 0.103 120.664 120.500 0.101 0.000 2.390 189 R HA 0.207 4.547 4.340 0.000 0.000 0.291 189 R C 1.276 177.612 176.300 0.059 0.000 1.070 189 R CA 0.037 56.178 56.100 0.068 0.000 1.014 189 R CB 0.392 30.726 30.300 0.057 0.000 1.007 189 R HN 0.396 nan 8.270 nan 0.000 0.466 190 T N 2.268 116.834 114.554 0.020 0.000 2.746 190 T HA -0.186 4.164 4.350 0.000 0.000 0.267 190 T C 1.769 176.437 174.700 -0.053 0.000 1.039 190 T CA 1.599 63.677 62.100 -0.036 0.000 1.142 190 T CB -0.153 68.692 68.868 -0.037 0.000 0.866 190 T HN 0.628 nan 8.240 nan 0.000 0.444 191 R N 1.610 122.102 120.500 -0.012 0.000 2.139 191 R HA -0.134 4.206 4.340 0.000 0.000 0.243 191 R C 1.941 178.243 176.300 0.003 0.000 1.145 191 R CA 1.819 57.918 56.100 -0.002 0.000 0.976 191 R CB -0.297 30.012 30.300 0.015 0.000 0.866 191 R HN 0.439 nan 8.270 nan 0.000 0.449 192 E N -0.079 120.131 120.200 0.017 0.000 2.072 192 E HA -0.071 4.279 4.350 0.000 0.000 0.190 192 E C 2.036 178.632 176.600 -0.007 0.000 0.982 192 E CA 1.017 57.438 56.400 0.036 0.000 0.803 192 E CB -0.176 29.578 29.700 0.090 0.000 0.755 192 E HN 0.641 nan 8.360 nan 0.000 0.453 193 G N 1.212 109.959 108.800 -0.089 0.000 2.446 193 G HA2 -0.364 3.596 3.960 0.000 0.000 0.217 193 G HA3 -0.364 3.596 3.960 0.000 0.000 0.217 193 G C 1.409 176.174 174.900 -0.225 0.000 1.168 193 G CA 1.196 46.066 45.100 -0.384 0.000 0.771 193 G HN 0.230 nan 8.290 nan 0.000 0.551 194 N N 0.447 119.070 118.700 -0.129 0.000 2.188 194 N HA -0.098 4.642 4.740 0.000 0.000 0.184 194 N C 1.706 177.311 175.510 0.157 0.000 1.018 194 N CA 1.516 54.598 53.050 0.053 0.000 0.858 194 N CB -0.125 38.401 38.487 0.065 0.000 0.989 194 N HN 0.113 nan 8.380 nan 0.000 0.426 195 D N -0.059 120.382 120.400 0.069 0.000 2.144 195 D HA -0.137 4.503 4.640 0.000 0.000 0.199 195 D C 1.860 178.186 176.300 0.044 0.000 0.984 195 D CA 0.613 54.650 54.000 0.063 0.000 0.834 195 D CB -0.255 40.564 40.800 0.030 0.000 0.955 195 D HN 0.291 nan 8.370 nan 0.000 0.465 196 L N -0.202 121.017 121.223 -0.007 0.000 2.023 196 L HA -0.141 4.199 4.340 0.000 0.000 0.205 196 L C 2.268 179.128 176.870 -0.017 0.000 1.073 196 L CA 1.337 56.136 54.840 -0.069 0.000 0.745 196 L CB -0.792 41.143 42.059 -0.207 0.000 0.900 196 L HN -0.029 nan 8.230 nan 0.000 0.435 197 Y N 0.372 120.586 120.300 -0.143 0.000 2.053 197 Y HA -0.365 4.185 4.550 0.000 0.000 0.277 197 Y C 2.659 178.436 175.900 -0.205 0.000 1.159 197 Y CA 2.418 60.404 58.100 -0.191 0.000 1.125 197 Y CB -0.919 37.362 38.460 -0.298 0.000 0.969 197 Y HN 0.442 nan 8.280 nan 0.000 0.492 198 H N -0.735 118.257 119.070 -0.129 0.000 2.421 198 H HA -0.116 4.439 4.556 -0.000 0.000 0.298 198 H C 2.271 177.502 175.328 -0.161 0.000 1.087 198 H CA 1.586 57.504 56.048 -0.217 0.000 1.330 198 H CB -0.060 29.647 29.762 -0.092 0.000 1.388 198 H HN 0.519 nan 8.280 nan 0.000 0.526 199 E N 0.101 120.299 120.200 -0.003 0.000 2.107 199 E HA -0.182 4.168 4.350 0.000 0.000 0.191 199 E C 1.947 178.508 176.600 -0.065 0.000 0.982 199 E CA 0.731 57.113 56.400 -0.030 0.000 0.809 199 E CB 0.056 29.738 29.700 -0.030 0.000 0.756 199 E HN 0.299 nan 8.360 nan 0.000 0.459 200 M N 0.361 119.906 119.600 -0.092 0.000 2.175 200 M HA -0.071 4.409 4.480 0.000 0.000 0.264 200 M C 1.858 178.092 176.300 -0.109 0.000 1.063 200 M CA 1.167 56.415 55.300 -0.087 0.000 1.119 200 M CB -0.028 32.530 32.600 -0.070 0.000 1.377 200 M HN 0.157 nan 8.290 nan 0.000 0.415 201 I N -0.485 119.969 120.570 -0.193 0.000 2.142 201 I HA -0.324 3.846 4.170 0.000 0.000 0.240 201 I C 2.349 178.404 176.117 -0.103 0.000 1.078 201 I CA 1.678 62.861 61.300 -0.194 0.000 1.343 201 I CB -0.359 37.457 38.000 -0.308 0.000 1.046 201 I HN 0.371 nan 8.210 nan 0.000 0.405 202 E N 0.408 120.561 120.200 -0.080 0.000 2.097 202 E HA -0.266 4.085 4.350 0.000 0.000 0.196 202 E C 1.974 178.551 176.600 -0.039 0.000 1.000 202 E CA 1.769 58.140 56.400 -0.048 0.000 0.804 202 E CB 0.005 29.684 29.700 -0.035 0.000 0.740 202 E HN 0.514 nan 8.360 nan 0.000 0.454 203 S N -1.327 114.350 115.700 -0.039 0.000 2.593 203 S HA 0.177 4.647 4.470 0.000 0.000 0.217 203 S C 1.345 175.931 174.600 -0.023 0.000 0.966 203 S CA 0.406 58.590 58.200 -0.027 0.000 0.914 203 S CB 0.515 63.699 63.200 -0.026 0.000 0.776 203 S HN 0.473 nan 8.310 nan 0.000 0.523 204 G N 0.971 109.752 108.800 -0.032 0.000 2.160 204 G HA2 -0.324 3.636 3.960 0.000 0.000 0.251 204 G HA3 -0.324 3.636 3.960 0.000 0.000 0.251 204 G C 0.722 175.613 174.900 -0.015 0.000 1.008 204 G CA 0.575 45.660 45.100 -0.025 0.000 0.724 204 G HN 1.440 nan 8.290 nan 0.000 0.514 205 V N -2.589 117.316 119.914 -0.015 0.000 2.951 205 V HA 0.434 4.554 4.120 0.000 0.000 0.255 205 V C 1.102 177.201 176.094 0.008 0.000 1.088 205 V CA 0.760 63.066 62.300 0.009 0.000 1.109 205 V CB -0.028 31.808 31.823 0.023 0.000 0.724 205 V HN 0.344 nan 8.190 nan 0.000 0.471 206 I N 2.956 123.513 120.570 -0.021 0.000 2.362 206 I HA 0.514 4.684 4.170 0.000 0.000 0.289 206 I C -0.783 175.307 176.117 -0.044 0.000 0.994 206 I CA -0.055 61.229 61.300 -0.026 0.000 1.158 206 I CB 1.114 39.073 38.000 -0.069 0.000 1.315 206 I HN 0.287 nan 8.210 nan 0.000 0.451 207 N N 6.854 125.542 118.700 -0.021 0.000 2.442 207 N HA 0.361 5.101 4.740 0.000 0.000 0.274 207 N C -0.006 175.496 175.510 -0.013 0.000 1.002 207 N CA -0.443 52.594 53.050 -0.021 0.000 0.910 207 N CB 1.600 40.082 38.487 -0.008 0.000 1.244 207 N HN 0.479 nan 8.380 nan 0.000 0.492 208 L N 2.476 123.686 121.223 -0.022 0.000 2.591 208 L HA 0.213 4.553 4.340 0.000 0.000 0.228 208 L C 1.742 178.613 176.870 0.002 0.000 1.133 208 L CA 0.293 55.130 54.840 -0.005 0.000 0.880 208 L CB 0.030 42.083 42.059 -0.009 0.000 1.033 208 L HN 0.343 nan 8.230 nan 0.000 0.450 209 K N -0.453 119.946 120.400 -0.002 0.000 2.225 209 K HA 0.206 4.526 4.320 0.000 0.000 0.204 209 K C 0.217 176.820 176.600 0.005 0.000 1.047 209 K CA 0.568 56.856 56.287 0.001 0.000 0.970 209 K CB 0.358 32.857 32.500 -0.002 0.000 0.939 209 K HN 0.161 nan 8.250 nan 0.000 0.472 210 D N -0.070 120.332 120.400 0.005 0.000 2.494 210 D HA 0.323 4.963 4.640 0.000 0.000 0.259 210 D C -0.615 175.691 176.300 0.011 0.000 1.109 210 D CA -0.607 53.398 54.000 0.008 0.000 1.040 210 D CB 0.941 41.746 40.800 0.009 0.000 1.175 210 D HN -0.033 nan 8.370 nan 0.000 0.584 211 A N 0.165 122.993 122.820 0.014 0.000 3.095 211 A HA 0.433 4.753 4.320 0.000 0.000 0.301 211 A C 0.508 178.107 177.584 0.025 0.000 1.432 211 A CA -0.372 51.676 52.037 0.018 0.000 1.140 211 A CB -0.747 18.265 19.000 0.020 0.000 1.174 211 A HN 0.506 nan 8.150 nan 0.000 0.546 212 T N -3.135 111.432 114.554 0.023 0.000 3.192 212 T HA 0.208 4.558 4.350 0.000 0.000 0.295 212 T C 0.397 175.118 174.700 0.035 0.000 0.947 212 T CA 0.101 62.220 62.100 0.031 0.000 0.916 212 T CB -0.240 68.640 68.868 0.020 0.000 1.169 212 T HN 0.244 nan 8.240 nan 0.000 0.540 213 S N 1.886 117.601 115.700 0.024 0.000 2.562 213 S HA 0.331 4.801 4.470 0.000 0.000 0.281 213 S C 0.692 175.314 174.600 0.037 0.000 1.333 213 S CA -0.444 57.770 58.200 0.024 0.000 1.052 213 S CB 1.202 64.411 63.200 0.015 0.000 0.884 213 S HN 0.360 nan 8.310 nan 0.000 0.506 214 K N 1.089 121.528 120.400 0.066 0.000 2.387 214 K HA 0.272 4.592 4.320 0.000 0.000 0.203 214 K C -0.900 175.765 176.600 0.108 0.000 1.030 214 K CA 0.094 56.460 56.287 0.133 0.000 1.099 214 K CB 0.708 33.302 32.500 0.157 0.000 0.863 214 K HN 0.372 nan 8.250 nan 0.000 0.529 215 V N 0.880 120.833 119.914 0.065 0.000 2.588 215 V HA 0.633 4.753 4.120 0.000 0.000 0.304 215 V C -0.718 175.429 176.094 0.089 0.000 1.042 215 V CA -1.375 60.983 62.300 0.096 0.000 0.877 215 V CB 1.643 33.534 31.823 0.113 0.000 0.996 215 V HN 0.060 nan 8.190 nan 0.000 0.425 216 A N 5.469 128.361 122.820 0.120 0.000 2.317 216 A HA 0.918 5.238 4.320 0.000 0.000 0.327 216 A C -0.829 176.842 177.584 0.145 0.000 1.178 216 A CA -0.544 51.568 52.037 0.125 0.000 0.817 216 A CB 0.819 19.913 19.000 0.157 0.000 1.189 216 A HN 0.817 nan 8.150 nan 0.000 0.489 217 L N 2.678 123.984 121.223 0.138 0.000 2.322 217 L HA 0.656 4.996 4.340 0.000 0.000 0.281 217 L C -0.898 176.036 176.870 0.107 0.000 1.014 217 L CA -0.916 54.022 54.840 0.162 0.000 0.815 217 L CB 1.778 43.997 42.059 0.267 0.000 1.247 217 L HN 0.414 nan 8.230 nan 0.000 0.421 218 V N 2.731 122.637 119.914 -0.014 0.000 2.656 218 V HA 0.528 4.648 4.120 0.000 0.000 0.307 218 V C -1.258 174.730 176.094 -0.177 0.000 1.051 218 V CA -0.674 61.611 62.300 -0.025 0.000 0.893 218 V CB 2.066 33.861 31.823 -0.047 0.000 0.999 218 V HN 0.467 nan 8.190 nan 0.000 0.426 219 Y N 1.074 121.400 120.300 0.042 0.000 2.504 219 Y HA 0.741 5.291 4.550 -0.000 0.000 0.344 219 Y C 0.446 176.363 175.900 0.028 0.000 1.023 219 Y CA -0.636 57.494 58.100 0.050 0.000 1.020 219 Y CB 2.892 41.372 38.460 0.033 0.000 1.282 219 Y HN 0.717 nan 8.280 nan 0.000 0.454 220 G N 3.239 112.156 108.800 0.194 0.000 3.582 220 G HA2 0.277 4.237 3.960 0.000 0.000 0.302 220 G HA3 0.277 4.237 3.960 0.000 0.000 0.302 220 G C -1.033 173.939 174.900 0.120 0.000 1.418 220 G CA -0.580 44.590 45.100 0.117 0.000 0.718 220 G HN 0.277 nan 8.290 nan 0.000 0.479 221 Q N 0.757 120.640 119.800 0.138 0.000 2.397 221 Q HA 0.300 4.640 4.340 0.000 0.000 0.193 221 Q C 1.903 177.942 176.000 0.066 0.000 1.083 221 Q CA -0.676 55.197 55.803 0.117 0.000 1.108 221 Q CB 0.650 29.458 28.738 0.118 0.000 1.172 221 Q HN 0.475 nan 8.270 nan 0.000 0.617 222 M N 0.849 120.482 119.600 0.055 0.000 2.426 222 M HA -0.224 4.256 4.480 0.000 0.000 0.261 222 M C 1.185 177.497 176.300 0.021 0.000 1.068 222 M CA 1.636 56.954 55.300 0.031 0.000 1.066 222 M CB -0.442 32.173 32.600 0.025 0.000 1.399 222 M HN 0.598 nan 8.290 nan 0.000 0.449 223 N N -1.071 117.643 118.700 0.023 0.000 2.299 223 N HA 0.031 4.771 4.740 0.000 0.000 0.187 223 N C -0.133 175.385 175.510 0.014 0.000 1.099 223 N CA -0.236 52.822 53.050 0.015 0.000 0.867 223 N CB 0.224 38.718 38.487 0.011 0.000 0.974 223 N HN 0.151 nan 8.380 nan 0.000 0.477 224 E N 1.817 122.029 120.200 0.020 0.000 2.349 224 E HA 0.255 4.605 4.350 0.000 0.000 0.262 224 E C -2.247 174.359 176.600 0.009 0.000 1.088 224 E CA -1.987 54.423 56.400 0.017 0.000 0.899 224 E CB 0.319 30.034 29.700 0.026 0.000 1.044 224 E HN 0.144 nan 8.360 nan 0.000 0.420 225 P HA 0.056 nan 4.420 nan 0.000 0.272 225 P C -1.891 175.406 177.300 -0.005 0.000 1.230 225 P CA -1.125 61.975 63.100 -0.000 0.000 0.788 225 P CB -0.090 31.611 31.700 0.001 0.000 0.949 226 P HA -0.264 nan 4.420 nan 0.000 0.217 226 P C 1.609 178.891 177.300 -0.029 0.000 1.162 226 P CA 2.365 65.447 63.100 -0.030 0.000 0.901 226 P CB -0.801 30.875 31.700 -0.039 0.000 0.793 227 G N 0.051 108.841 108.800 -0.017 0.000 2.469 227 G HA2 -0.255 3.705 3.960 0.000 0.000 0.220 227 G HA3 -0.255 3.705 3.960 0.000 0.000 0.220 227 G C 1.818 176.722 174.900 0.007 0.000 1.136 227 G CA 1.273 46.369 45.100 -0.007 0.000 0.759 227 G HN 0.438 nan 8.290 nan 0.000 0.562 228 A N 0.462 123.288 122.820 0.011 0.000 1.898 228 A HA 0.084 4.404 4.320 0.000 0.000 0.216 228 A C 2.410 180.010 177.584 0.027 0.000 1.181 228 A CA 1.509 53.559 52.037 0.022 0.000 0.620 228 A CB -0.345 18.669 19.000 0.024 0.000 0.819 228 A HN 0.329 nan 8.150 nan 0.000 0.442 229 R N -0.680 119.830 120.500 0.016 0.000 2.148 229 R HA 0.003 4.343 4.340 0.000 0.000 0.227 229 R C 2.233 178.552 176.300 0.031 0.000 1.103 229 R CA 0.960 57.073 56.100 0.022 0.000 0.983 229 R CB -0.280 30.020 30.300 0.000 0.000 0.874 229 R HN 0.508 nan 8.270 nan 0.000 0.451 230 A N 0.420 123.234 122.820 -0.009 0.000 2.066 230 A HA -0.048 4.272 4.320 0.000 0.000 0.218 230 A C 1.741 179.388 177.584 0.105 0.000 1.157 230 A CA 0.894 52.902 52.037 -0.048 0.000 0.670 230 A CB 0.065 18.996 19.000 -0.115 0.000 0.804 230 A HN 0.100 nan 8.150 nan 0.000 0.453 231 R N -0.853 119.699 120.500 0.086 0.000 2.316 231 R HA 0.073 4.413 4.340 0.000 0.000 0.201 231 R C 1.834 178.154 176.300 0.034 0.000 0.888 231 R CA 1.153 57.296 56.100 0.072 0.000 1.041 231 R CB -0.574 29.748 30.300 0.037 0.000 1.115 231 R HN 0.448 nan 8.270 nan 0.000 0.559 232 V N 0.487 120.420 119.914 0.033 0.000 2.453 232 V HA -0.223 3.897 4.120 0.000 0.000 0.252 232 V C 2.526 178.596 176.094 -0.040 0.000 1.068 232 V CA 1.987 64.287 62.300 -0.000 0.000 1.070 232 V CB -1.301 30.525 31.823 0.006 0.000 0.664 232 V HN 0.174 nan 8.190 nan 0.000 0.461 233 A N 0.927 123.728 122.820 -0.033 0.000 1.883 233 A HA -0.109 4.211 4.320 0.000 0.000 0.217 233 A C 2.268 179.760 177.584 -0.155 0.000 1.186 233 A CA 2.155 54.113 52.037 -0.131 0.000 0.624 233 A CB -0.657 18.213 19.000 -0.217 0.000 0.822 233 A HN 0.525 nan 8.150 nan 0.000 0.444 234 L N -0.611 120.533 121.223 -0.133 0.000 2.043 234 L HA -0.228 4.112 4.340 0.000 0.000 0.212 234 L C 2.791 179.579 176.870 -0.136 0.000 1.075 234 L CA 2.037 56.779 54.840 -0.162 0.000 0.752 234 L CB -1.316 40.618 42.059 -0.209 0.000 0.891 234 L HN 0.394 nan 8.230 nan 0.000 0.432 235 T N -0.363 114.130 114.554 -0.102 0.000 2.708 235 T HA -0.114 4.236 4.350 0.000 0.000 0.266 235 T C 1.830 176.484 174.700 -0.077 0.000 1.037 235 T CA 1.367 63.420 62.100 -0.078 0.000 1.146 235 T CB -0.534 68.306 68.868 -0.046 0.000 0.865 235 T HN 0.564 nan 8.240 nan 0.000 0.435 236 G N 1.543 110.290 108.800 -0.088 0.000 2.418 236 G HA2 -0.139 3.821 3.960 0.000 0.000 0.217 236 G HA3 -0.139 3.821 3.960 0.000 0.000 0.217 236 G C 1.528 176.379 174.900 -0.081 0.000 1.158 236 G CA 0.716 45.766 45.100 -0.084 0.000 0.771 236 G HN 0.385 nan 8.290 nan 0.000 0.545 237 L N 1.268 122.425 121.223 -0.109 0.000 1.990 237 L HA -0.079 4.261 4.340 0.000 0.000 0.213 237 L C 2.865 179.688 176.870 -0.079 0.000 1.072 237 L CA 2.770 57.545 54.840 -0.109 0.000 0.755 237 L CB -1.244 40.728 42.059 -0.144 0.000 0.889 237 L HN 0.205 nan 8.230 nan 0.000 0.432 238 T N -0.882 113.622 114.554 -0.082 0.000 2.684 238 T HA -0.196 4.154 4.350 0.000 0.000 0.267 238 T C 2.015 176.672 174.700 -0.071 0.000 1.036 238 T CA 1.747 63.806 62.100 -0.069 0.000 1.148 238 T CB -0.542 68.284 68.868 -0.071 0.000 0.863 238 T HN 0.226 nan 8.240 nan 0.000 0.436 239 V N 1.753 121.618 119.914 -0.082 0.000 2.282 239 V HA -0.261 3.859 4.120 0.000 0.000 0.249 239 V C 2.881 178.920 176.094 -0.090 0.000 1.057 239 V CA 1.956 64.184 62.300 -0.119 0.000 1.032 239 V CB -1.278 30.513 31.823 -0.053 0.000 0.645 239 V HN 0.572 nan 8.190 nan 0.000 0.447 240 A N -0.461 122.374 122.820 0.025 0.000 1.883 240 A HA -0.274 4.046 4.320 0.000 0.000 0.217 240 A C 2.134 179.760 177.584 0.069 0.000 1.186 240 A CA 2.020 54.130 52.037 0.120 0.000 0.624 240 A CB -0.579 18.460 19.000 0.064 0.000 0.822 240 A HN 0.659 nan 8.150 nan 0.000 0.444 241 E N -1.598 118.603 120.200 0.001 0.000 2.097 241 E HA -0.270 4.080 4.350 0.000 0.000 0.196 241 E C 1.848 178.434 176.600 -0.022 0.000 1.000 241 E CA 1.606 58.000 56.400 -0.010 0.000 0.804 241 E CB -0.412 29.274 29.700 -0.023 0.000 0.740 241 E HN 0.797 nan 8.360 nan 0.000 0.454 242 Y N 0.795 120.979 120.300 -0.193 0.000 2.081 242 Y HA -0.302 4.248 4.550 0.000 0.000 0.280 242 Y C 1.907 177.698 175.900 -0.182 0.000 1.163 242 Y CA 1.793 59.734 58.100 -0.266 0.000 1.135 242 Y CB -0.394 37.773 38.460 -0.489 0.000 0.970 242 Y HN -0.061 nan 8.280 nan 0.000 0.498 243 F N 0.139 120.131 119.950 0.069 0.000 2.171 243 F HA -0.137 4.390 4.527 0.000 0.000 0.300 243 F C 2.725 178.496 175.800 -0.049 0.000 1.090 243 F CA 1.755 59.776 58.000 0.036 0.000 1.293 243 F CB -0.977 38.185 39.000 0.271 0.000 1.013 243 F HN -0.007 nan 8.300 nan 0.000 0.486 244 R N 0.506 121.076 120.500 0.118 0.000 2.070 244 R HA -0.157 4.183 4.340 0.000 0.000 0.232 244 R C 1.666 177.947 176.300 -0.032 0.000 1.138 244 R CA 2.208 58.333 56.100 0.042 0.000 0.936 244 R CB -0.344 29.970 30.300 0.023 0.000 0.839 244 R HN 0.155 nan 8.270 nan 0.000 0.429 245 D N -0.301 120.051 120.400 -0.081 0.000 2.216 245 D HA -0.061 4.579 4.640 0.000 0.000 0.208 245 D C 1.838 178.046 176.300 -0.154 0.000 0.960 245 D CA 0.713 54.655 54.000 -0.096 0.000 0.861 245 D CB 0.009 40.765 40.800 -0.073 0.000 0.985 245 D HN 0.247 nan 8.370 nan 0.000 0.493 246 Q N 0.324 119.939 119.800 -0.309 0.000 2.451 246 Q HA 0.058 4.398 4.340 0.000 0.000 0.206 246 Q C 0.558 176.364 176.000 -0.322 0.000 0.947 246 Q CA 0.598 56.160 55.803 -0.401 0.000 0.937 246 Q CB 0.539 28.759 28.738 -0.863 0.000 1.025 246 Q HN 0.499 nan 8.270 nan 0.000 0.511 247 E N -0.973 119.094 120.200 -0.221 0.000 2.743 247 E HA 0.184 4.534 4.350 0.000 0.000 0.222 247 E C 0.343 176.928 176.600 -0.025 0.000 0.959 247 E CA 0.120 56.480 56.400 -0.066 0.000 1.198 247 E CB 1.049 30.782 29.700 0.055 0.000 1.100 247 E HN 0.282 nan 8.360 nan 0.000 0.518 248 G N 2.366 111.141 108.800 -0.042 0.000 2.337 248 G HA2 -0.313 3.647 3.960 0.000 0.000 0.290 248 G HA3 -0.313 3.647 3.960 0.000 0.000 0.290 248 G C 0.352 175.243 174.900 -0.015 0.000 1.003 248 G CA 0.651 45.735 45.100 -0.027 0.000 0.825 248 G HN 0.127 nan 8.290 nan 0.000 0.509 249 Q N -0.076 119.732 119.800 0.013 0.000 2.354 249 Q HA 0.275 4.615 4.340 0.000 0.000 0.244 249 Q C -0.315 175.695 176.000 0.017 0.000 0.969 249 Q CA -0.057 55.744 55.803 -0.003 0.000 0.885 249 Q CB 0.743 29.522 28.738 0.069 0.000 1.241 249 Q HN 0.317 nan 8.270 nan 0.000 0.461 250 D N 1.106 121.495 120.400 -0.017 0.000 2.347 250 D HA 0.260 4.900 4.640 0.000 0.000 0.235 250 D C -0.612 175.783 176.300 0.159 0.000 1.149 250 D CA -0.106 53.929 54.000 0.058 0.000 0.850 250 D CB 0.863 41.701 40.800 0.064 0.000 1.061 250 D HN 0.063 nan 8.370 nan 0.000 0.487 251 V N 2.803 122.791 119.914 0.123 0.000 2.837 251 V HA 0.487 4.607 4.120 0.000 0.000 0.310 251 V C 0.295 176.363 176.094 -0.043 0.000 1.059 251 V CA -0.900 61.472 62.300 0.120 0.000 1.004 251 V CB 1.708 33.616 31.823 0.141 0.000 1.045 251 V HN 0.357 nan 8.190 nan 0.000 0.465 252 L N 3.278 124.436 121.223 -0.108 0.000 2.381 252 L HA 0.593 4.933 4.340 0.000 0.000 0.274 252 L C -1.299 175.435 176.870 -0.225 0.000 0.988 252 L CA -0.547 54.119 54.840 -0.290 0.000 0.824 252 L CB 1.851 43.715 42.059 -0.326 0.000 1.263 252 L HN 0.500 nan 8.230 nan 0.000 0.410 253 L N 4.066 125.042 121.223 -0.412 0.000 2.372 253 L HA 0.579 4.920 4.340 0.000 0.000 0.273 253 L C -1.509 175.060 176.870 -0.503 0.000 0.989 253 L CA 0.132 54.791 54.840 -0.300 0.000 0.841 253 L CB 1.190 43.123 42.059 -0.210 0.000 1.225 253 L HN 0.204 nan 8.230 nan 0.000 0.414 254 F N 5.769 125.602 119.950 -0.195 0.000 2.436 254 F HA 0.661 5.188 4.527 -0.000 0.000 0.340 254 F C 0.052 175.485 175.800 -0.612 0.000 1.113 254 F CA -0.447 57.365 58.000 -0.313 0.000 1.022 254 F CB 1.530 40.426 39.000 -0.174 0.000 1.128 254 F HN 0.231 nan 8.300 nan 0.000 0.466 255 I N 2.585 122.936 120.570 -0.365 0.000 2.533 255 I HA 0.319 4.489 4.170 0.000 0.000 0.290 255 I C -1.457 174.471 176.117 -0.316 0.000 1.056 255 I CA -0.638 60.402 61.300 -0.433 0.000 1.057 255 I CB 2.213 40.038 38.000 -0.291 0.000 1.240 255 I HN 0.404 nan 8.210 nan 0.000 0.423 256 D N 5.818 126.039 120.400 -0.298 0.000 2.575 256 D HA 0.293 4.933 4.640 0.000 0.000 0.250 256 D C -1.401 174.904 176.300 0.008 0.000 1.279 256 D CA -0.230 53.743 54.000 -0.044 0.000 0.925 256 D CB 1.429 42.300 40.800 0.118 0.000 1.261 256 D HN 0.458 nan 8.370 nan 0.000 0.567 257 N N 3.944 122.667 118.700 0.038 0.000 2.258 257 N HA 0.230 4.970 4.740 0.000 0.000 0.299 257 N C 0.412 175.957 175.510 0.058 0.000 1.047 257 N CA -0.466 52.623 53.050 0.064 0.000 0.814 257 N CB 1.883 40.465 38.487 0.158 0.000 1.413 257 N HN 0.342 nan 8.380 nan 0.000 0.478 258 I N 3.360 123.938 120.570 0.013 0.000 3.291 258 I HA -0.021 4.149 4.170 0.000 0.000 0.279 258 I C 1.554 177.738 176.117 0.112 0.000 1.294 258 I CA 0.439 61.735 61.300 -0.007 0.000 1.428 258 I CB -0.266 37.652 38.000 -0.136 0.000 1.070 258 I HN 0.572 nan 8.210 nan 0.000 0.478 259 F N 1.024 121.002 119.950 0.046 0.000 2.234 259 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 259 F C 2.271 178.160 175.800 0.148 0.000 1.087 259 F CA 1.247 59.315 58.000 0.114 0.000 1.340 259 F CB -0.269 38.832 39.000 0.167 0.000 1.031 259 F HN -0.075 nan 8.300 nan 0.000 0.500 260 R N 0.230 120.739 120.500 0.014 0.000 2.127 260 R HA -0.210 4.130 4.340 0.000 0.000 0.238 260 R C 2.205 178.448 176.300 -0.095 0.000 1.134 260 R CA 1.585 57.632 56.100 -0.089 0.000 0.975 260 R CB -1.821 28.508 30.300 0.047 0.000 0.865 260 R HN 0.524 nan 8.270 nan 0.000 0.447 261 F N 1.746 121.603 119.950 -0.156 0.000 2.134 261 F HA -0.174 4.353 4.527 0.001 0.000 0.299 261 F C 1.930 177.645 175.800 -0.142 0.000 1.097 261 F CA 1.683 59.607 58.000 -0.125 0.000 1.264 261 F CB -0.412 38.523 39.000 -0.108 0.000 1.001 261 F HN -0.128 nan 8.300 nan 0.000 0.479 262 T N 0.330 114.755 114.554 -0.215 0.000 2.737 262 T HA -0.235 4.115 4.350 0.000 0.000 0.265 262 T C 1.876 176.406 174.700 -0.283 0.000 1.038 262 T CA 1.541 63.464 62.100 -0.296 0.000 1.144 262 T CB -0.439 68.372 68.868 -0.095 0.000 0.866 262 T HN 0.488 nan 8.240 nan 0.000 0.434 263 Q N 0.944 120.492 119.800 -0.420 0.000 2.061 263 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 263 Q C 2.475 178.352 176.000 -0.205 0.000 0.984 263 Q CA 1.700 57.310 55.803 -0.321 0.000 0.846 263 Q CB -0.379 28.087 28.738 -0.453 0.000 0.902 263 Q HN 0.514 nan 8.270 nan 0.000 0.421 264 A N 0.571 123.257 122.820 -0.223 0.000 1.917 264 A HA -0.173 4.147 4.320 0.000 0.000 0.219 264 A C 2.300 179.773 177.584 -0.186 0.000 1.182 264 A CA 1.820 53.753 52.037 -0.174 0.000 0.633 264 A CB -1.496 17.408 19.000 -0.160 0.000 0.819 264 A HN 0.645 nan 8.150 nan 0.000 0.448 265 G N -0.232 108.401 108.800 -0.277 0.000 2.422 265 G HA2 -0.217 3.744 3.960 0.000 0.000 0.218 265 G HA3 -0.217 3.744 3.960 0.000 0.000 0.218 265 G C 1.958 176.790 174.900 -0.114 0.000 1.146 265 G CA 1.814 46.774 45.100 -0.233 0.000 0.769 265 G HN 0.945 nan 8.290 nan 0.000 0.547 266 S N 0.287 115.939 115.700 -0.080 0.000 2.447 266 S HA -0.007 4.463 4.470 0.000 0.000 0.233 266 S C 1.936 176.495 174.600 -0.068 0.000 1.006 266 S CA 1.496 59.671 58.200 -0.041 0.000 0.957 266 S CB -0.196 62.966 63.200 -0.062 0.000 0.773 266 S HN 0.578 nan 8.310 nan 0.000 0.507 267 E N 0.883 121.035 120.200 -0.080 0.000 2.072 267 E HA -0.078 4.272 4.350 0.000 0.000 0.191 267 E C 2.322 178.892 176.600 -0.049 0.000 0.985 267 E CA 1.477 57.839 56.400 -0.063 0.000 0.801 267 E CB -0.270 29.393 29.700 -0.061 0.000 0.750 267 E HN 0.651 nan 8.360 nan 0.000 0.452 268 V N -1.541 118.341 119.914 -0.053 0.000 2.878 268 V HA -0.060 4.060 4.120 0.000 0.000 0.250 268 V C 2.223 178.299 176.094 -0.030 0.000 1.075 268 V CA 1.432 63.709 62.300 -0.038 0.000 1.096 268 V CB 0.239 32.038 31.823 -0.040 0.000 0.724 268 V HN 0.123 nan 8.190 nan 0.000 0.467 269 S N 1.328 117.008 115.700 -0.034 0.000 2.381 269 S HA -0.286 4.184 4.470 0.000 0.000 0.230 269 S C 2.157 176.749 174.600 -0.012 0.000 1.052 269 S CA 2.531 60.719 58.200 -0.020 0.000 1.068 269 S CB -0.712 62.481 63.200 -0.012 0.000 0.918 269 S HN 1.106 nan 8.310 nan 0.000 0.448 270 A N 1.459 124.271 122.820 -0.015 0.000 1.877 270 A HA 0.059 4.379 4.320 0.000 0.000 0.216 270 A C 2.234 179.814 177.584 -0.007 0.000 1.186 270 A CA 1.501 53.532 52.037 -0.009 0.000 0.620 270 A CB -0.847 18.146 19.000 -0.012 0.000 0.822 270 A HN 0.591 nan 8.150 nan 0.000 0.443 271 L N -0.619 120.598 121.223 -0.010 0.000 2.081 271 L HA -0.208 4.132 4.340 0.000 0.000 0.212 271 L C 2.183 179.051 176.870 -0.003 0.000 1.080 271 L CA 1.145 55.981 54.840 -0.007 0.000 0.754 271 L CB -0.747 41.307 42.059 -0.009 0.000 0.893 271 L HN 0.366 nan 8.230 nan 0.000 0.433 272 L N 0.018 121.238 121.223 -0.004 0.000 2.622 272 L HA 0.020 4.360 4.340 0.000 0.000 0.233 272 L C 1.343 178.214 176.870 0.003 0.000 1.156 272 L CA 0.594 55.433 54.840 -0.000 0.000 0.866 272 L CB -0.709 41.348 42.059 -0.003 0.000 0.980 272 L HN 0.514 nan 8.230 nan 0.000 0.448 273 G N 0.725 109.526 108.800 0.002 0.000 2.171 273 G HA2 -0.263 3.697 3.960 0.000 0.000 0.238 273 G HA3 -0.263 3.697 3.960 0.000 0.000 0.238 273 G C 0.071 174.974 174.900 0.005 0.000 1.039 273 G CA -0.325 44.777 45.100 0.004 0.000 0.759 273 G HN 0.400 nan 8.290 nan 0.000 0.501 274 R N -0.628 119.875 120.500 0.004 0.000 2.474 274 R HA 0.630 4.970 4.340 0.000 0.000 0.295 274 R C 0.925 177.231 176.300 0.010 0.000 0.980 274 R CA -0.953 55.151 56.100 0.007 0.000 0.934 274 R CB 1.333 31.638 30.300 0.008 0.000 1.101 274 R HN 0.288 nan 8.270 nan 0.000 0.469 275 I N 4.775 125.352 120.570 0.012 0.000 2.618 275 I HA 0.052 4.222 4.170 0.000 0.000 0.284 275 I C -1.581 174.549 176.117 0.021 0.000 1.146 275 I CA -1.512 59.797 61.300 0.015 0.000 1.425 275 I CB 0.312 38.321 38.000 0.015 0.000 1.383 275 I HN 0.311 nan 8.210 nan 0.000 0.562 276 P HA 0.117 nan 4.420 nan 0.000 0.274 276 P C -0.363 176.966 177.300 0.047 0.000 1.237 276 P CA -0.294 62.827 63.100 0.035 0.000 0.793 276 P CB 1.349 33.064 31.700 0.025 0.000 0.977 277 S N 0.272 116.015 115.700 0.072 0.000 2.448 277 S HA 0.620 5.090 4.470 0.000 0.000 0.271 277 S C 0.004 174.662 174.600 0.096 0.000 1.145 277 S CA -0.423 57.824 58.200 0.078 0.000 1.022 277 S CB -0.060 63.193 63.200 0.089 0.000 1.202 277 S HN 0.606 nan 8.310 nan 0.000 0.479 278 A N 0.205 123.091 122.820 0.110 0.000 2.462 278 A HA 0.473 4.793 4.320 0.000 0.000 0.243 278 A C 0.763 178.458 177.584 0.185 0.000 1.076 278 A CA 0.246 52.356 52.037 0.120 0.000 0.773 278 A CB -0.541 18.525 19.000 0.109 0.000 1.010 278 A HN 1.587 nan 8.150 nan 0.000 0.493 279 V N 0.882 120.875 119.914 0.131 0.000 4.591 279 V HA -0.285 3.835 4.120 0.000 0.000 0.261 279 V C 1.682 177.772 176.094 -0.005 0.000 0.425 279 V CA 1.385 63.748 62.300 0.105 0.000 0.826 279 V CB -2.561 29.388 31.823 0.210 0.000 0.812 279 V HN 2.922 nan 8.190 nan 0.000 1.340 280 G N -2.456 106.352 108.800 0.013 0.000 2.184 280 G HA2 -0.361 3.599 3.960 0.000 0.000 0.264 280 G HA3 -0.361 3.599 3.960 0.000 0.000 0.264 280 G C -0.087 174.787 174.900 -0.044 0.000 0.975 280 G CA 0.591 45.667 45.100 -0.040 0.000 0.642 280 G HN 0.960 nan 8.290 nan 0.000 0.536 281 Y N 1.532 121.846 120.300 0.025 0.000 2.299 281 Y HA 0.400 4.950 4.550 0.001 0.000 0.335 281 Y C 1.543 177.445 175.900 0.003 0.000 1.287 281 Y CA 0.054 58.162 58.100 0.013 0.000 1.424 281 Y CB 0.452 38.928 38.460 0.027 0.000 1.326 281 Y HN 0.449 nan 8.280 nan 0.000 0.567 282 Q N 3.468 123.384 119.800 0.194 0.000 2.364 282 Q HA 0.085 4.425 4.340 0.000 0.000 0.267 282 Q C -2.089 173.959 176.000 0.080 0.000 0.999 282 Q CA -1.643 54.215 55.803 0.091 0.000 0.886 282 Q CB 0.647 29.417 28.738 0.053 0.000 1.243 282 Q HN 0.399 nan 8.270 nan 0.000 0.415 283 P HA -0.145 nan 4.420 nan 0.000 0.225 283 P C 0.950 178.269 177.300 0.032 0.000 1.148 283 P CA 1.332 64.457 63.100 0.042 0.000 0.779 283 P CB 0.024 31.743 31.700 0.031 0.000 0.780 284 T N -4.175 110.395 114.554 0.026 0.000 3.163 284 T HA 0.146 4.496 4.350 0.000 0.000 0.252 284 T C 1.563 176.276 174.700 0.022 0.000 1.056 284 T CA -0.364 61.749 62.100 0.021 0.000 0.947 284 T CB -0.942 67.934 68.868 0.013 0.000 1.016 284 T HN -0.072 nan 8.240 nan 0.000 0.554 285 L N 1.216 122.449 121.223 0.016 0.000 1.978 285 L HA -0.135 4.205 4.340 0.000 0.000 0.218 285 L C 2.880 179.768 176.870 0.030 0.000 1.075 285 L CA 2.255 57.093 54.840 -0.003 0.000 0.767 285 L CB -0.826 41.194 42.059 -0.064 0.000 0.890 285 L HN 0.422 nan 8.230 nan 0.000 0.434 286 A N -0.794 122.049 122.820 0.038 0.000 1.877 286 A HA -0.248 4.072 4.320 0.000 0.000 0.216 286 A C 2.346 179.987 177.584 0.094 0.000 1.186 286 A CA 2.514 54.596 52.037 0.075 0.000 0.620 286 A CB -1.321 17.716 19.000 0.062 0.000 0.822 286 A HN 0.678 nan 8.150 nan 0.000 0.443 287 T N -1.925 112.671 114.554 0.071 0.000 2.788 287 T HA -0.161 4.189 4.350 0.000 0.000 0.268 287 T C 1.341 176.095 174.700 0.090 0.000 1.044 287 T CA 1.592 63.735 62.100 0.072 0.000 1.139 287 T CB -0.565 68.333 68.868 0.050 0.000 0.867 287 T HN 0.373 nan 8.240 nan 0.000 0.454 288 D N 0.863 121.322 120.400 0.099 0.000 2.117 288 D HA -0.032 4.608 4.640 0.000 0.000 0.197 288 D C 1.993 178.445 176.300 0.254 0.000 0.987 288 D CA 1.031 55.130 54.000 0.164 0.000 0.829 288 D CB -0.441 40.427 40.800 0.112 0.000 0.961 288 D HN 0.414 nan 8.370 nan 0.000 0.460 289 M N 0.424 120.144 119.600 0.199 0.000 2.099 289 M HA -0.063 4.417 4.480 0.000 0.000 0.262 289 M C 2.055 178.312 176.300 -0.071 0.000 1.067 289 M CA 1.964 57.320 55.300 0.093 0.000 1.124 289 M CB -0.247 32.397 32.600 0.073 0.000 1.353 289 M HN 0.047 nan 8.290 nan 0.000 0.410 290 G N -0.420 108.412 108.800 0.054 0.000 2.480 290 G HA2 -0.291 3.669 3.960 0.000 0.000 0.216 290 G HA3 -0.291 3.669 3.960 0.000 0.000 0.216 290 G C 1.360 176.280 174.900 0.033 0.000 1.200 290 G CA 1.684 46.840 45.100 0.093 0.000 0.782 290 G HN 0.591 nan 8.290 nan 0.000 0.554 291 T N -1.560 113.019 114.554 0.043 0.000 3.051 291 T HA 0.075 4.425 4.350 0.000 0.000 0.269 291 T C 2.063 176.755 174.700 -0.012 0.000 1.127 291 T CA 1.356 63.474 62.100 0.031 0.000 1.107 291 T CB 0.026 68.928 68.868 0.057 0.000 0.898 291 T HN 0.255 nan 8.240 nan 0.000 0.517 292 M N -0.001 119.558 119.600 -0.068 0.000 2.398 292 M HA 0.074 4.554 4.480 0.000 0.000 0.261 292 M C 2.226 178.381 176.300 -0.242 0.000 1.125 292 M CA 0.885 56.075 55.300 -0.183 0.000 1.183 292 M CB -0.156 32.231 32.600 -0.354 0.000 1.322 292 M HN 0.049 nan 8.290 nan 0.000 0.467 293 Q N 0.945 120.557 119.800 -0.312 0.000 2.135 293 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 293 Q C 1.584 177.483 176.000 -0.168 0.000 0.981 293 Q CA 1.357 56.948 55.803 -0.353 0.000 0.856 293 Q CB -0.444 27.845 28.738 -0.748 0.000 0.902 293 Q HN 0.589 nan 8.270 nan 0.000 0.425 294 E N 0.185 120.338 120.200 -0.077 0.000 2.472 294 E HA -0.115 4.235 4.350 0.000 0.000 0.200 294 E C 1.500 178.082 176.600 -0.030 0.000 1.046 294 E CA 0.418 56.813 56.400 -0.008 0.000 0.871 294 E CB 0.039 29.761 29.700 0.036 0.000 0.806 294 E HN 0.335 nan 8.360 nan 0.000 0.533 295 R N -0.083 120.378 120.500 -0.064 0.000 2.265 295 R HA 0.235 4.575 4.340 0.000 0.000 0.194 295 R C 0.913 177.167 176.300 -0.077 0.000 0.931 295 R CA 0.014 56.077 56.100 -0.061 0.000 1.032 295 R CB 0.477 30.738 30.300 -0.066 0.000 0.980 295 R HN 0.027 nan 8.270 nan 0.000 0.497 296 I N 1.906 122.413 120.570 -0.104 0.000 2.243 296 I HA 0.073 4.243 4.170 0.000 0.000 0.297 296 I C -0.068 175.997 176.117 -0.087 0.000 1.161 296 I CA 0.240 61.471 61.300 -0.114 0.000 1.298 296 I CB 0.548 38.453 38.000 -0.159 0.000 1.475 296 I HN -0.062 nan 8.210 nan 0.000 0.561 297 T N 2.614 117.128 114.554 -0.067 0.000 2.886 297 T HA 0.265 4.615 4.350 0.000 0.000 0.330 297 T C -0.307 174.364 174.700 -0.048 0.000 1.488 297 T CA -0.355 61.712 62.100 -0.054 0.000 1.054 297 T CB 1.638 70.484 68.868 -0.038 0.000 1.348 297 T HN 0.270 nan 8.240 nan 0.000 0.489 298 T N 3.068 117.594 114.554 -0.047 0.000 2.899 298 T HA 0.648 4.998 4.350 0.000 0.000 0.295 298 T C 0.375 175.050 174.700 -0.042 0.000 1.033 298 T CA -0.003 62.072 62.100 -0.041 0.000 1.084 298 T CB 0.831 69.675 68.868 -0.040 0.000 0.979 298 T HN 0.957 nan 8.240 nan 0.000 0.532 299 T N -0.823 113.708 114.554 -0.038 0.000 2.647 299 T HA 0.457 4.807 4.350 0.000 0.000 0.295 299 T C 0.758 175.434 174.700 -0.041 0.000 1.126 299 T CA -0.992 61.082 62.100 -0.044 0.000 1.040 299 T CB 1.315 70.160 68.868 -0.039 0.000 1.472 299 T HN 0.351 nan 8.240 nan 0.000 0.500 300 K N -0.008 120.367 120.400 -0.043 0.000 2.288 300 K HA 0.098 4.418 4.320 0.000 0.000 0.201 300 K C 2.052 178.634 176.600 -0.031 0.000 1.048 300 K CA 0.819 57.083 56.287 -0.038 0.000 0.956 300 K CB -0.053 32.424 32.500 -0.039 0.000 0.746 300 K HN 0.428 nan 8.250 nan 0.000 0.461 301 K N -0.356 120.026 120.400 -0.030 0.000 2.098 301 K HA 0.021 4.341 4.320 0.000 0.000 0.203 301 K C 0.766 177.351 176.600 -0.026 0.000 1.051 301 K CA 0.778 57.047 56.287 -0.029 0.000 0.957 301 K CB 0.548 33.029 32.500 -0.033 0.000 0.738 301 K HN 0.157 nan 8.250 nan 0.000 0.447 302 G N -0.993 107.793 108.800 -0.023 0.000 2.684 302 G HA2 0.335 4.295 3.960 0.000 0.000 0.290 302 G HA3 0.335 4.295 3.960 0.000 0.000 0.290 302 G C -1.665 173.228 174.900 -0.011 0.000 1.425 302 G CA -0.534 44.558 45.100 -0.013 0.000 0.822 302 G HN -0.058 nan 8.290 nan 0.000 0.482 303 S N -0.649 115.050 115.700 -0.002 0.000 2.451 303 S HA 0.707 5.177 4.470 0.000 0.000 0.301 303 S C -0.508 174.088 174.600 -0.007 0.000 1.116 303 S CA -0.633 57.563 58.200 -0.007 0.000 1.093 303 S CB 0.521 63.723 63.200 0.003 0.000 1.017 303 S HN 0.400 nan 8.310 nan 0.000 0.482 304 I N 4.403 124.953 120.570 -0.033 0.000 2.420 304 I HA 0.224 4.394 4.170 0.000 0.000 0.282 304 I C -0.306 175.749 176.117 -0.104 0.000 1.019 304 I CA -0.355 60.910 61.300 -0.057 0.000 1.130 304 I CB 1.891 39.855 38.000 -0.060 0.000 1.262 304 I HN 0.499 nan 8.210 nan 0.000 0.454 305 T N 4.348 118.818 114.554 -0.141 0.000 2.749 305 T HA 0.316 4.666 4.350 0.000 0.000 0.295 305 T C 0.106 174.629 174.700 -0.296 0.000 0.936 305 T CA -0.519 61.467 62.100 -0.190 0.000 1.060 305 T CB 0.611 69.366 68.868 -0.189 0.000 0.904 305 T HN 0.626 nan 8.240 nan 0.000 0.500 306 S N 2.016 117.541 115.700 -0.291 0.000 2.502 306 S HA 0.699 5.169 4.470 0.000 0.000 0.304 306 S C -0.620 173.755 174.600 -0.376 0.000 1.097 306 S CA -0.863 57.122 58.200 -0.358 0.000 1.045 306 S CB 1.392 64.433 63.200 -0.264 0.000 1.019 306 S HN 0.393 nan 8.310 nan 0.000 0.481 307 V N 3.380 123.022 119.914 -0.453 0.000 2.378 307 V HA 0.471 4.591 4.120 0.000 0.000 0.288 307 V C -0.497 175.461 176.094 -0.226 0.000 1.016 307 V CA -0.474 61.630 62.300 -0.327 0.000 0.840 307 V CB 1.174 32.852 31.823 -0.241 0.000 0.994 307 V HN 0.953 nan 8.190 nan 0.000 0.431 308 Q N 3.111 122.788 119.800 -0.206 0.000 2.330 308 Q HA 0.726 5.066 4.340 0.000 0.000 0.269 308 Q C -0.356 175.543 176.000 -0.169 0.000 1.022 308 Q CA -0.587 55.100 55.803 -0.193 0.000 0.796 308 Q CB 2.660 31.259 28.738 -0.231 0.000 1.271 308 Q HN 0.866 nan 8.270 nan 0.000 0.450 309 A N 3.667 126.423 122.820 -0.106 0.000 2.366 309 A HA 0.538 4.858 4.320 0.000 0.000 0.272 309 A C -0.318 177.201 177.584 -0.110 0.000 1.135 309 A CA -0.302 51.692 52.037 -0.072 0.000 0.804 309 A CB 0.065 19.079 19.000 0.023 0.000 1.064 309 A HN 0.756 nan 8.150 nan 0.000 0.499 310 I N 3.120 123.563 120.570 -0.212 0.000 2.464 310 I HA 0.132 4.302 4.170 0.000 0.000 0.277 310 I C -0.710 175.322 176.117 -0.141 0.000 1.040 310 I CA -0.457 60.695 61.300 -0.248 0.000 1.153 310 I CB 0.840 38.387 38.000 -0.754 0.000 1.274 310 I HN 0.728 nan 8.210 nan 0.000 0.469 311 Y N 6.916 127.141 120.300 -0.126 0.000 2.544 311 Y HA 0.238 4.788 4.550 0.000 0.000 0.330 311 Y C -0.234 175.339 175.900 -0.544 0.000 1.136 311 Y CA 0.131 58.071 58.100 -0.267 0.000 1.417 311 Y CB 0.713 39.042 38.460 -0.217 0.000 1.229 311 Y HN 0.273 nan 8.280 nan 0.000 0.532 312 V N 10.053 129.379 119.914 -0.980 0.000 2.311 312 V HA 0.268 4.388 4.120 0.000 0.000 0.275 312 V C -2.109 173.473 176.094 -0.853 0.000 1.022 312 V CA -2.084 59.817 62.300 -0.665 0.000 0.830 312 V CB 0.904 32.568 31.823 -0.266 0.000 1.012 312 V HN 0.708 nan 8.190 nan 0.000 0.452 313 P HA 0.145 nan 4.420 nan 0.000 0.267 313 P C 0.597 177.838 177.300 -0.098 0.000 1.209 313 P CA 0.726 63.696 63.100 -0.216 0.000 0.763 313 P CB 0.992 32.736 31.700 0.074 0.000 0.816 314 A N 3.662 126.454 122.820 -0.046 0.000 2.910 314 A HA -0.270 4.050 4.320 0.000 0.000 0.267 314 A C 0.934 178.489 177.584 -0.048 0.000 1.310 314 A CA 1.503 53.532 52.037 -0.013 0.000 0.934 314 A CB -2.623 16.390 19.000 0.022 0.000 1.057 314 A HN 0.537 nan 8.150 nan 0.000 0.742 315 D N -2.232 118.096 120.400 -0.120 0.000 3.028 315 D HA -0.157 4.483 4.640 0.000 0.000 0.207 315 D C -0.257 176.010 176.300 -0.054 0.000 1.100 315 D CA 1.993 55.933 54.000 -0.099 0.000 0.995 315 D CB -1.262 39.506 40.800 -0.055 0.000 1.108 315 D HN 0.915 nan 8.370 nan 0.000 0.421 316 D N 0.423 120.801 120.400 -0.036 0.000 2.393 316 D HA 0.197 4.837 4.640 0.000 0.000 0.232 316 D C 1.361 177.682 176.300 0.034 0.000 1.192 316 D CA -0.199 53.805 54.000 0.007 0.000 0.882 316 D CB 0.263 41.083 40.800 0.032 0.000 1.038 316 D HN 0.182 nan 8.370 nan 0.000 0.499 317 L N 2.774 124.024 121.223 0.046 0.000 2.622 317 L HA -0.037 4.303 4.340 0.000 0.000 0.233 317 L C 2.056 179.001 176.870 0.125 0.000 1.156 317 L CA 0.897 55.803 54.840 0.109 0.000 0.866 317 L CB -0.206 41.908 42.059 0.092 0.000 0.980 317 L HN 0.481 nan 8.230 nan 0.000 0.448 318 T N -5.346 109.255 114.554 0.079 0.000 3.107 318 T HA -0.006 4.344 4.350 0.000 0.000 0.249 318 T C 0.499 175.262 174.700 0.105 0.000 1.096 318 T CA -0.463 61.682 62.100 0.075 0.000 1.012 318 T CB -0.362 68.530 68.868 0.040 0.000 0.977 318 T HN 0.118 nan 8.240 nan 0.000 0.527 319 D N 2.657 123.136 120.400 0.132 0.000 2.458 319 D HA 0.160 4.800 4.640 0.000 0.000 0.243 319 D C -1.271 175.117 176.300 0.147 0.000 1.146 319 D CA -1.776 52.333 54.000 0.182 0.000 0.877 319 D CB 1.172 42.105 40.800 0.222 0.000 1.176 319 D HN -0.046 nan 8.370 nan 0.000 0.461 320 P HA -0.314 nan 4.420 nan 0.000 0.219 320 P C 0.790 177.998 177.300 -0.154 0.000 1.158 320 P CA 2.170 65.215 63.100 -0.091 0.000 0.895 320 P CB 0.011 31.547 31.700 -0.272 0.000 0.792 321 A N -0.153 122.559 122.820 -0.180 0.000 1.841 321 A HA -0.146 4.174 4.320 0.000 0.000 0.216 321 A C 0.019 177.699 177.584 0.160 0.000 1.199 321 A CA 2.679 54.722 52.037 0.009 0.000 0.621 321 A CB -2.290 16.900 19.000 0.317 0.000 0.835 321 A HN 0.227 nan 8.150 nan 0.000 0.445 322 P HA -0.101 nan 4.420 nan 0.000 0.216 322 P C 1.651 179.136 177.300 0.309 0.000 1.153 322 P CA 2.024 65.290 63.100 0.277 0.000 0.848 322 P CB -0.280 31.605 31.700 0.308 0.000 0.787 323 A N -0.004 122.991 122.820 0.291 0.000 1.892 323 A HA -0.188 4.132 4.320 0.000 0.000 0.218 323 A C 2.219 179.989 177.584 0.310 0.000 1.188 323 A CA 2.651 54.888 52.037 0.332 0.000 0.631 323 A CB -2.069 17.040 19.000 0.181 0.000 0.822 323 A HN 0.237 nan 8.150 nan 0.000 0.447 324 T N -0.498 114.174 114.554 0.196 0.000 3.118 324 T HA 0.015 4.365 4.350 0.000 0.000 0.260 324 T C 1.474 176.317 174.700 0.238 0.000 1.139 324 T CA 1.445 63.647 62.100 0.171 0.000 1.085 324 T CB -0.181 68.748 68.868 0.101 0.000 0.934 324 T HN 0.570 nan 8.240 nan 0.000 0.518 325 T N 1.044 115.746 114.554 0.246 0.000 3.051 325 T HA 0.191 4.541 4.350 0.000 0.000 0.255 325 T C 1.401 176.262 174.700 0.268 0.000 1.085 325 T CA 0.017 62.261 62.100 0.241 0.000 1.109 325 T CB -0.232 68.671 68.868 0.058 0.000 0.921 325 T HN 0.265 nan 8.240 nan 0.000 0.488 326 F N 2.627 122.757 119.950 0.300 0.000 2.065 326 F HA -0.124 4.403 4.527 0.000 0.000 0.298 326 F C 2.707 178.566 175.800 0.098 0.000 1.112 326 F CA 1.198 59.317 58.000 0.199 0.000 1.212 326 F CB -0.921 38.095 39.000 0.026 0.000 0.975 326 F HN 0.145 nan 8.300 nan 0.000 0.476 327 A N -1.495 121.439 122.820 0.190 0.000 2.245 327 A HA -0.215 4.105 4.320 0.000 0.000 0.217 327 A C 1.516 179.011 177.584 -0.148 0.000 1.171 327 A CA 1.666 53.689 52.037 -0.022 0.000 0.688 327 A CB -1.015 17.891 19.000 -0.157 0.000 0.781 327 A HN 0.572 nan 8.150 nan 0.000 0.479 328 H N -1.686 117.432 119.070 0.080 0.000 2.652 328 H HA 0.367 4.923 4.556 0.000 0.000 0.274 328 H C -0.138 175.197 175.328 0.012 0.000 1.021 328 H CA -0.004 56.061 56.048 0.027 0.000 1.187 328 H CB 0.197 29.955 29.762 -0.007 0.000 1.505 328 H HN 0.373 nan 8.280 nan 0.000 0.530 329 L N 0.027 121.333 121.223 0.139 0.000 2.332 329 L HA 0.259 4.599 4.340 0.000 0.000 0.269 329 L C 0.907 177.818 176.870 0.068 0.000 1.016 329 L CA -0.593 54.298 54.840 0.085 0.000 0.809 329 L CB 1.559 43.684 42.059 0.111 0.000 1.280 329 L HN -0.142 nan 8.230 nan 0.000 0.447 330 D N 0.323 120.744 120.400 0.035 0.000 2.380 330 D HA 0.238 4.878 4.640 0.000 0.000 0.212 330 D C 0.129 176.463 176.300 0.058 0.000 1.021 330 D CA 0.558 54.580 54.000 0.036 0.000 0.884 330 D CB 1.048 41.854 40.800 0.010 0.000 1.001 330 D HN 0.513 nan 8.370 nan 0.000 0.506 331 A N 0.531 123.383 122.820 0.053 0.000 2.455 331 A HA 0.589 4.909 4.320 0.000 0.000 0.300 331 A C -0.495 177.165 177.584 0.126 0.000 1.040 331 A CA -0.555 51.546 52.037 0.107 0.000 0.697 331 A CB 1.677 20.770 19.000 0.154 0.000 1.265 331 A HN -0.022 nan 8.150 nan 0.000 0.407 332 T N -0.992 113.683 114.554 0.202 0.000 2.886 332 T HA 0.698 5.048 4.350 0.000 0.000 0.292 332 T C -0.610 174.260 174.700 0.283 0.000 1.012 332 T CA -0.465 61.798 62.100 0.273 0.000 0.982 332 T CB 1.521 70.609 68.868 0.367 0.000 1.018 332 T HN 0.519 nan 8.240 nan 0.000 0.451 333 T N 3.092 117.834 114.554 0.314 0.000 3.042 333 T HA 0.402 4.752 4.350 0.000 0.000 0.356 333 T C 0.016 174.885 174.700 0.281 0.000 1.233 333 T CA -0.502 61.765 62.100 0.279 0.000 1.038 333 T CB 0.407 69.456 68.868 0.301 0.000 1.089 333 T HN 0.649 nan 8.240 nan 0.000 0.531 334 V N 5.689 125.739 119.914 0.226 0.000 2.387 334 V HA 0.245 4.365 4.120 0.000 0.000 0.260 334 V C 0.439 176.617 176.094 0.140 0.000 1.054 334 V CA -0.501 61.919 62.300 0.201 0.000 0.967 334 V CB 0.014 31.897 31.823 0.100 0.000 1.036 334 V HN 0.732 nan 8.190 nan 0.000 0.481 335 L N 4.167 125.478 121.223 0.147 0.000 2.395 335 L HA 0.481 4.821 4.340 0.000 0.000 0.269 335 L C 0.518 177.422 176.870 0.057 0.000 1.133 335 L CA 0.301 55.200 54.840 0.098 0.000 0.812 335 L CB 1.413 43.539 42.059 0.111 0.000 1.125 335 L HN 0.624 nan 8.230 nan 0.000 0.452 336 S N 1.334 117.047 115.700 0.023 0.000 2.502 336 S HA 0.339 4.809 4.470 0.000 0.000 0.304 336 S C 0.651 175.239 174.600 -0.020 0.000 1.097 336 S CA -0.751 57.447 58.200 -0.004 0.000 1.045 336 S CB 1.707 64.894 63.200 -0.020 0.000 1.019 336 S HN 0.706 nan 8.310 nan 0.000 0.481 337 R N 3.459 123.950 120.500 -0.015 0.000 2.066 337 R HA -0.017 4.323 4.340 0.000 0.000 0.232 337 R C 2.225 178.504 176.300 -0.034 0.000 1.131 337 R CA 1.806 57.897 56.100 -0.015 0.000 0.955 337 R CB -0.705 29.591 30.300 -0.007 0.000 0.851 337 R HN 0.783 nan 8.270 nan 0.000 0.432 338 A N 1.279 124.078 122.820 -0.035 0.000 1.892 338 A HA -0.211 4.109 4.320 0.000 0.000 0.218 338 A C 2.158 179.707 177.584 -0.059 0.000 1.188 338 A CA 1.850 53.862 52.037 -0.041 0.000 0.631 338 A CB -0.684 18.292 19.000 -0.040 0.000 0.822 338 A HN 0.390 nan 8.150 nan 0.000 0.447 339 I N -0.432 120.095 120.570 -0.072 0.000 2.179 339 I HA -0.275 3.895 4.170 0.000 0.000 0.242 339 I C 3.013 179.017 176.117 -0.188 0.000 1.088 339 I CA 1.056 62.296 61.300 -0.101 0.000 1.357 339 I CB -0.553 37.392 38.000 -0.091 0.000 1.051 339 I HN 0.371 nan 8.210 nan 0.000 0.409 340 A N 0.689 123.369 122.820 -0.234 0.000 1.917 340 A HA -0.259 4.061 4.320 0.000 0.000 0.219 340 A C 2.190 179.624 177.584 -0.250 0.000 1.182 340 A CA 1.920 53.705 52.037 -0.420 0.000 0.633 340 A CB -0.709 18.188 19.000 -0.172 0.000 0.819 340 A HN 0.484 nan 8.150 nan 0.000 0.448 341 E N -0.508 119.631 120.200 -0.101 0.000 2.265 341 E HA -0.073 4.277 4.350 0.000 0.000 0.196 341 E C 1.561 178.139 176.600 -0.037 0.000 0.996 341 E CA 0.542 56.921 56.400 -0.036 0.000 0.832 341 E CB -0.204 29.487 29.700 -0.016 0.000 0.756 341 E HN 0.627 nan 8.360 nan 0.000 0.491 342 L N -0.553 120.630 121.223 -0.066 0.000 2.554 342 L HA 0.048 4.388 4.340 0.000 0.000 0.226 342 L C 1.391 178.248 176.870 -0.020 0.000 1.137 342 L CA 0.537 55.356 54.840 -0.035 0.000 0.863 342 L CB 0.066 42.110 42.059 -0.025 0.000 0.985 342 L HN 0.315 nan 8.230 nan 0.000 0.451 343 G N 0.251 109.016 108.800 -0.059 0.000 2.157 343 G HA2 -0.217 3.743 3.960 0.000 0.000 0.239 343 G HA3 -0.217 3.743 3.960 0.000 0.000 0.239 343 G C 0.210 175.148 174.900 0.064 0.000 0.982 343 G CA -0.477 44.662 45.100 0.066 0.000 0.650 343 G HN 0.135 nan 8.290 nan 0.000 0.527 344 I N 1.150 121.620 120.570 -0.167 0.000 2.312 344 I HA 0.463 4.633 4.170 0.000 0.000 0.291 344 I C -0.175 175.685 176.117 -0.429 0.000 1.031 344 I CA -0.605 60.614 61.300 -0.136 0.000 1.293 344 I CB 0.011 37.970 38.000 -0.069 0.000 1.403 344 I HN 0.045 nan 8.210 nan 0.000 0.484 345 Y N 7.150 127.378 120.300 -0.120 0.000 2.425 345 Y HA 0.431 4.981 4.550 -0.000 0.000 0.344 345 Y C -2.125 173.563 175.900 -0.354 0.000 0.969 345 Y CA -2.657 55.317 58.100 -0.210 0.000 1.052 345 Y CB 1.892 40.206 38.460 -0.244 0.000 1.215 345 Y HN 0.408 nan 8.280 nan 0.000 0.451 346 P HA 0.118 nan 4.420 nan 0.000 0.271 346 P C -0.312 176.990 177.300 0.004 0.000 1.216 346 P CA -0.247 62.867 63.100 0.025 0.000 0.776 346 P CB 1.023 32.810 31.700 0.146 0.000 0.881 347 A N 3.488 126.308 122.820 0.001 0.000 2.478 347 A HA 0.144 4.464 4.320 0.000 0.000 0.239 347 A C 0.545 178.122 177.584 -0.011 0.000 1.480 347 A CA -0.173 51.807 52.037 -0.096 0.000 1.308 347 A CB -1.353 17.568 19.000 -0.131 0.000 0.899 347 A HN 0.393 nan 8.150 nan 0.000 0.600 348 V N 1.199 121.126 119.914 0.022 0.000 2.585 348 V HA 0.010 4.130 4.120 0.000 0.000 0.296 348 V C 0.465 176.569 176.094 0.017 0.000 1.035 348 V CA -0.261 62.066 62.300 0.045 0.000 1.084 348 V CB 0.907 32.766 31.823 0.061 0.000 0.953 348 V HN 0.579 nan 8.190 nan 0.000 0.483 349 D N 8.004 128.417 120.400 0.022 0.000 2.352 349 D HA 0.189 4.829 4.640 0.000 0.000 0.245 349 D C -1.155 175.143 176.300 -0.003 0.000 1.224 349 D CA -2.109 51.891 54.000 0.000 0.000 0.879 349 D CB 1.760 42.560 40.800 -0.001 0.000 1.057 349 D HN 0.268 nan 8.370 nan 0.000 0.491 350 P HA -0.079 nan 4.420 nan 0.000 0.223 350 P C 1.239 178.516 177.300 -0.038 0.000 1.151 350 P CA 0.622 63.703 63.100 -0.030 0.000 0.787 350 P CB 0.447 32.121 31.700 -0.042 0.000 0.788 351 L N -1.037 120.164 121.223 -0.038 0.000 2.628 351 L HA 0.205 4.545 4.340 0.000 0.000 0.229 351 L C 1.483 178.323 176.870 -0.050 0.000 1.137 351 L CA 0.406 55.219 54.840 -0.046 0.000 0.909 351 L CB -0.192 41.837 42.059 -0.049 0.000 1.137 351 L HN -0.123 nan 8.230 nan 0.000 0.470 352 D N -1.381 118.996 120.400 -0.039 0.000 2.514 352 D HA 0.086 4.726 4.640 0.000 0.000 0.225 352 D C 0.383 176.673 176.300 -0.017 0.000 1.159 352 D CA 0.238 54.209 54.000 -0.049 0.000 0.823 352 D CB 0.769 41.539 40.800 -0.050 0.000 1.097 352 D HN -0.063 nan 8.370 nan 0.000 0.519 353 S N -0.203 115.505 115.700 0.014 0.000 2.585 353 S HA 0.643 5.113 4.470 0.000 0.000 0.277 353 S C 0.237 174.865 174.600 0.046 0.000 1.241 353 S CA -0.443 57.794 58.200 0.062 0.000 1.041 353 S CB 1.730 64.980 63.200 0.083 0.000 0.987 353 S HN 0.337 nan 8.310 nan 0.000 0.512 354 T N -1.371 113.231 114.554 0.079 0.000 2.812 354 T HA 0.800 5.150 4.350 0.000 0.000 0.294 354 T C -0.875 173.877 174.700 0.087 0.000 1.159 354 T CA -0.879 61.253 62.100 0.054 0.000 1.008 354 T CB 1.735 70.621 68.868 0.030 0.000 1.289 354 T HN 0.542 nan 8.240 nan 0.000 0.514 355 S N -0.949 114.790 115.700 0.065 0.000 2.605 355 S HA 0.338 4.808 4.470 0.000 0.000 0.279 355 S C 0.308 174.940 174.600 0.052 0.000 1.166 355 S CA -0.798 57.449 58.200 0.078 0.000 0.975 355 S CB 1.331 64.586 63.200 0.092 0.000 1.111 355 S HN 0.797 nan 8.310 nan 0.000 0.465 356 R N 2.835 123.366 120.500 0.051 0.000 2.397 356 R HA 0.047 4.387 4.340 0.000 0.000 0.213 356 R C 0.926 177.245 176.300 0.032 0.000 1.102 356 R CA 0.777 56.899 56.100 0.037 0.000 1.040 356 R CB -0.229 30.090 30.300 0.032 0.000 0.844 356 R HN 0.571 nan 8.270 nan 0.000 0.478 357 I N -0.193 120.396 120.570 0.033 0.000 3.860 357 I HA 0.005 4.175 4.170 0.000 0.000 0.319 357 I C 0.832 176.952 176.117 0.004 0.000 1.279 357 I CA 0.111 61.422 61.300 0.019 0.000 1.220 357 I CB -0.185 37.832 38.000 0.027 0.000 1.027 357 I HN 0.118 nan 8.210 nan 0.000 0.428 358 M N 2.143 121.753 119.600 0.016 0.000 3.705 358 M HA 0.081 4.561 4.480 0.000 0.000 0.191 358 M C -0.482 175.920 176.300 0.169 0.000 1.570 358 M CA -0.070 55.245 55.300 0.026 0.000 1.714 358 M CB -1.345 31.252 32.600 -0.005 0.000 1.148 358 M HN -0.022 nan 8.290 nan 0.000 0.547 359 D N 1.630 122.098 120.400 0.113 0.000 2.649 359 D HA 0.434 5.074 4.640 0.000 0.000 0.249 359 D C -2.291 173.988 176.300 -0.035 0.000 1.112 359 D CA -2.023 51.997 54.000 0.033 0.000 0.850 359 D CB 2.232 43.024 40.800 -0.012 0.000 1.399 359 D HN 0.065 nan 8.370 nan 0.000 0.503 360 P HA -0.119 nan 4.420 nan 0.000 0.216 360 P C 0.198 177.440 177.300 -0.096 0.000 1.150 360 P CA 1.292 64.253 63.100 -0.232 0.000 0.843 360 P CB 0.023 31.444 31.700 -0.465 0.000 0.787 361 N N -1.353 117.286 118.700 -0.103 0.000 2.515 361 N HA 0.070 4.810 4.740 0.000 0.000 0.191 361 N C 1.267 176.763 175.510 -0.023 0.000 1.182 361 N CA 0.374 53.392 53.050 -0.053 0.000 0.879 361 N CB -0.263 38.192 38.487 -0.053 0.000 0.984 361 N HN 0.258 nan 8.380 nan 0.000 0.453 362 I N -1.389 119.174 120.570 -0.013 0.000 4.228 362 I HA -0.004 4.166 4.170 0.000 0.000 0.298 362 I C 1.415 177.546 176.117 0.023 0.000 1.206 362 I CA 0.164 61.467 61.300 0.005 0.000 1.322 362 I CB 0.385 38.386 38.000 0.002 0.000 1.411 362 I HN 0.038 nan 8.210 nan 0.000 0.454 363 V N -0.904 119.019 119.914 0.016 0.000 3.647 363 V HA 0.614 4.734 4.120 0.000 0.000 0.279 363 V C 0.792 176.965 176.094 0.132 0.000 1.314 363 V CA 0.277 62.605 62.300 0.046 0.000 1.125 363 V CB -0.735 30.959 31.823 -0.216 0.000 0.907 363 V HN 0.467 nan 8.190 nan 0.000 0.434 364 G N 1.048 109.902 108.800 0.090 0.000 2.705 364 G HA2 -0.133 3.827 3.960 0.000 0.000 0.686 364 G HA3 -0.133 3.827 3.960 0.000 0.000 0.686 364 G C 0.406 175.387 174.900 0.134 0.000 1.285 364 G CA 0.231 45.390 45.100 0.098 0.000 0.800 364 G HN 1.360 nan 8.290 nan 0.000 0.611 365 S N -0.363 115.399 115.700 0.103 0.000 2.428 365 S HA -0.034 4.436 4.470 0.000 0.000 0.230 365 S C 1.702 176.412 174.600 0.182 0.000 1.014 365 S CA 1.648 59.932 58.200 0.139 0.000 0.957 365 S CB 0.014 63.257 63.200 0.071 0.000 0.784 365 S HN 0.862 nan 8.310 nan 0.000 0.499 366 E N 1.127 121.417 120.200 0.150 0.000 2.031 366 E HA -0.266 4.084 4.350 0.000 0.000 0.193 366 E C 2.036 178.752 176.600 0.193 0.000 0.994 366 E CA 1.378 57.861 56.400 0.140 0.000 0.800 366 E CB -0.337 29.426 29.700 0.104 0.000 0.752 366 E HN 0.844 nan 8.360 nan 0.000 0.447 367 H N -1.462 117.664 119.070 0.093 0.000 2.293 367 H HA -0.210 4.346 4.556 0.000 0.000 0.300 367 H C 2.132 177.507 175.328 0.079 0.000 1.082 367 H CA 1.606 57.702 56.048 0.079 0.000 1.308 367 H CB -0.122 29.686 29.762 0.077 0.000 1.375 367 H HN 0.255 nan 8.280 nan 0.000 0.495 368 Y N 1.398 121.764 120.300 0.110 0.000 2.256 368 Y HA -0.222 4.328 4.550 0.000 0.000 0.288 368 Y C 1.520 177.444 175.900 0.041 0.000 1.155 368 Y CA 1.838 59.948 58.100 0.016 0.000 1.203 368 Y CB -0.032 38.422 38.460 -0.011 0.000 0.980 368 Y HN 0.368 nan 8.280 nan 0.000 0.530 369 D N -1.298 119.200 120.400 0.163 0.000 2.271 369 D HA -0.077 4.563 4.640 0.000 0.000 0.206 369 D C 2.285 178.597 176.300 0.020 0.000 0.967 369 D CA 0.978 55.029 54.000 0.085 0.000 0.867 369 D CB -0.142 40.740 40.800 0.137 0.000 0.960 369 D HN 0.292 nan 8.370 nan 0.000 0.509 370 V N 1.414 121.358 119.914 0.050 0.000 2.323 370 V HA -0.138 3.982 4.120 0.000 0.000 0.244 370 V C 2.538 178.616 176.094 -0.026 0.000 1.041 370 V CA 1.564 63.892 62.300 0.046 0.000 1.025 370 V CB -0.793 31.086 31.823 0.094 0.000 0.656 370 V HN 0.146 nan 8.190 nan 0.000 0.451 371 A N 0.513 123.312 122.820 -0.035 0.000 1.849 371 A HA -0.253 4.067 4.320 0.000 0.000 0.217 371 A C 2.285 179.758 177.584 -0.185 0.000 1.202 371 A CA 1.964 53.930 52.037 -0.118 0.000 0.629 371 A CB -0.575 18.340 19.000 -0.141 0.000 0.834 371 A HN 0.395 nan 8.150 nan 0.000 0.447 372 R N -0.366 119.970 120.500 -0.272 0.000 2.189 372 R HA -0.072 4.268 4.340 0.000 0.000 0.223 372 R C 2.201 178.432 176.300 -0.116 0.000 1.092 372 R CA 1.029 56.988 56.100 -0.235 0.000 0.989 372 R CB -1.421 28.697 30.300 -0.303 0.000 0.876 372 R HN 0.589 nan 8.270 nan 0.000 0.457 373 G N 0.198 108.950 108.800 -0.081 0.000 2.394 373 G HA2 -0.169 3.792 3.960 0.000 0.000 0.214 373 G HA3 -0.169 3.792 3.960 0.000 0.000 0.214 373 G C 1.553 176.436 174.900 -0.029 0.000 1.176 373 G CA 0.487 45.569 45.100 -0.030 0.000 0.786 373 G HN 0.143 nan 8.290 nan 0.000 0.533 374 V N 0.859 120.740 119.914 -0.055 0.000 2.287 374 V HA -0.268 3.852 4.120 0.000 0.000 0.248 374 V C 2.971 179.030 176.094 -0.059 0.000 1.053 374 V CA 2.360 64.620 62.300 -0.067 0.000 1.027 374 V CB -0.639 31.067 31.823 -0.195 0.000 0.646 374 V HN 0.457 nan 8.190 nan 0.000 0.447 375 Q N -0.275 119.476 119.800 -0.082 0.000 2.124 375 Q HA -0.268 4.072 4.340 0.000 0.000 0.202 375 Q C 2.356 178.335 176.000 -0.035 0.000 0.977 375 Q CA 1.766 57.531 55.803 -0.063 0.000 0.850 375 Q CB -0.285 28.404 28.738 -0.083 0.000 0.901 375 Q HN 0.587 nan 8.270 nan 0.000 0.429 376 K N 1.044 121.424 120.400 -0.033 0.000 2.057 376 K HA -0.142 4.178 4.320 0.000 0.000 0.207 376 K C 1.975 178.580 176.600 0.007 0.000 1.049 376 K CA 0.959 57.238 56.287 -0.014 0.000 0.931 376 K CB -0.086 32.406 32.500 -0.013 0.000 0.714 376 K HN 0.202 nan 8.250 nan 0.000 0.440 377 I N 0.930 121.508 120.570 0.013 0.000 2.353 377 I HA -0.232 3.938 4.170 0.000 0.000 0.248 377 I C 1.733 177.893 176.117 0.072 0.000 1.119 377 I CA 0.901 62.221 61.300 0.034 0.000 1.417 377 I CB 0.145 38.159 38.000 0.024 0.000 1.078 377 I HN 0.202 nan 8.210 nan 0.000 0.421 378 L N 0.027 121.288 121.223 0.063 0.000 2.217 378 L HA -0.173 4.167 4.340 0.000 0.000 0.211 378 L C 2.471 179.379 176.870 0.063 0.000 1.107 378 L CA 0.689 55.590 54.840 0.102 0.000 0.783 378 L CB -0.578 41.517 42.059 0.060 0.000 0.919 378 L HN 0.281 nan 8.230 nan 0.000 0.442 379 Q N 0.487 120.302 119.800 0.025 0.000 2.079 379 Q HA -0.192 4.149 4.340 0.000 0.000 0.200 379 Q C 1.693 177.703 176.000 0.016 0.000 0.974 379 Q CA 1.694 57.497 55.803 0.000 0.000 0.840 379 Q CB -0.048 28.683 28.738 -0.012 0.000 0.898 379 Q HN 0.351 nan 8.270 nan 0.000 0.430 380 D N -0.885 119.542 120.400 0.045 0.000 2.117 380 D HA -0.161 4.479 4.640 0.000 0.000 0.197 380 D C 1.544 177.913 176.300 0.115 0.000 0.987 380 D CA 1.084 55.119 54.000 0.059 0.000 0.829 380 D CB -0.439 40.394 40.800 0.055 0.000 0.961 380 D HN 0.329 nan 8.370 nan 0.000 0.460 381 Y N 1.973 122.265 120.300 -0.012 0.000 2.181 381 Y HA -0.168 4.382 4.550 0.000 0.000 0.288 381 Y C 2.158 178.051 175.900 -0.012 0.000 1.146 381 Y CA 1.418 59.512 58.100 -0.010 0.000 1.164 381 Y CB -0.429 38.025 38.460 -0.010 0.000 0.982 381 Y HN -0.170 nan 8.280 nan 0.000 0.515 382 K N 0.058 120.382 120.400 -0.127 0.000 2.074 382 K HA -0.186 4.134 4.320 0.000 0.000 0.209 382 K C 2.234 178.757 176.600 -0.127 0.000 1.048 382 K CA 2.158 58.314 56.287 -0.219 0.000 0.926 382 K CB -0.254 32.166 32.500 -0.134 0.000 0.713 382 K HN 0.491 nan 8.250 nan 0.000 0.444 383 S N 0.443 116.114 115.700 -0.049 0.000 2.406 383 S HA -0.064 4.406 4.470 0.000 0.000 0.228 383 S C 1.942 176.534 174.600 -0.012 0.000 1.020 383 S CA 0.706 58.888 58.200 -0.030 0.000 0.965 383 S CB -0.378 62.814 63.200 -0.013 0.000 0.798 383 S HN 0.250 nan 8.310 nan 0.000 0.488 384 L N 1.043 122.281 121.223 0.024 0.000 2.201 384 L HA -0.080 4.260 4.340 0.000 0.000 0.212 384 L C 2.947 179.835 176.870 0.029 0.000 1.105 384 L CA 1.042 55.913 54.840 0.052 0.000 0.775 384 L CB -0.651 41.482 42.059 0.123 0.000 0.913 384 L HN 0.360 nan 8.230 nan 0.000 0.440 385 Q N 0.012 119.793 119.800 -0.032 0.000 2.217 385 Q HA -0.300 4.040 4.340 0.000 0.000 0.209 385 Q C 1.671 177.648 176.000 -0.037 0.000 0.988 385 Q CA 2.141 57.903 55.803 -0.069 0.000 0.878 385 Q CB -0.092 28.515 28.738 -0.219 0.000 0.909 385 Q HN 0.469 nan 8.270 nan 0.000 0.424 386 D N -0.375 120.005 120.400 -0.034 0.000 2.084 386 D HA -0.156 4.484 4.640 0.000 0.000 0.194 386 D C 1.552 177.848 176.300 -0.007 0.000 0.990 386 D CA 1.317 55.304 54.000 -0.023 0.000 0.826 386 D CB 0.055 40.842 40.800 -0.022 0.000 0.971 386 D HN 0.213 nan 8.370 nan 0.000 0.453 387 I N 0.423 120.994 120.570 0.002 0.000 2.202 387 I HA -0.190 3.981 4.170 0.000 0.000 0.242 387 I C 1.954 178.081 176.117 0.018 0.000 1.091 387 I CA 0.476 61.782 61.300 0.010 0.000 1.368 387 I CB -0.352 37.657 38.000 0.014 0.000 1.058 387 I HN 0.067 nan 8.210 nan 0.000 0.410 388 I N 1.724 122.312 120.570 0.030 0.000 2.248 388 I HA -0.312 3.859 4.170 0.000 0.000 0.248 388 I C 2.808 178.942 176.117 0.029 0.000 1.107 388 I CA 1.721 63.047 61.300 0.044 0.000 1.373 388 I CB -1.862 36.188 38.000 0.083 0.000 1.055 388 I HN 0.247 nan 8.210 nan 0.000 0.418 389 A N 0.698 123.528 122.820 0.016 0.000 1.972 389 A HA -0.140 4.180 4.320 0.000 0.000 0.219 389 A C 2.188 179.776 177.584 0.006 0.000 1.169 389 A CA 1.431 53.473 52.037 0.007 0.000 0.635 389 A CB -0.311 18.686 19.000 -0.006 0.000 0.810 389 A HN 0.320 nan 8.150 nan 0.000 0.446 390 I N -1.358 119.216 120.570 0.007 0.000 2.947 390 I HA 0.094 4.265 4.170 0.000 0.000 0.263 390 I C 1.850 177.972 176.117 0.008 0.000 1.130 390 I CA 0.787 62.090 61.300 0.005 0.000 1.448 390 I CB -1.122 36.880 38.000 0.003 0.000 1.222 390 I HN 0.202 nan 8.210 nan 0.000 0.453 391 L N 0.259 121.489 121.223 0.010 0.000 2.640 391 L HA 0.364 4.704 4.340 0.000 0.000 0.230 391 L C 1.202 178.081 176.870 0.015 0.000 1.123 391 L CA 0.252 55.099 54.840 0.012 0.000 0.900 391 L CB -0.403 41.663 42.059 0.011 0.000 1.146 391 L HN 0.418 nan 8.230 nan 0.000 0.484 392 G N 0.777 109.589 108.800 0.020 0.000 2.601 392 G HA2 -0.377 3.583 3.960 0.000 0.000 0.252 392 G HA3 -0.377 3.583 3.960 0.000 0.000 0.252 392 G C 0.327 175.243 174.900 0.027 0.000 1.294 392 G CA 0.346 45.461 45.100 0.024 0.000 0.912 392 G HN 0.115 nan 8.290 nan 0.000 0.574 393 M N 0.287 119.901 119.600 0.024 0.000 2.501 393 M HA 0.102 4.582 4.480 0.000 0.000 0.261 393 M C 2.056 178.364 176.300 0.015 0.000 1.129 393 M CA 1.085 56.397 55.300 0.021 0.000 1.126 393 M CB -0.176 32.433 32.600 0.015 0.000 1.359 393 M HN 0.588 nan 8.290 nan 0.000 0.471 394 D N 0.994 121.401 120.400 0.012 0.000 2.230 394 D HA -0.247 4.394 4.640 0.000 0.000 0.189 394 D C 1.463 177.769 176.300 0.009 0.000 1.006 394 D CA 1.704 55.709 54.000 0.010 0.000 0.853 394 D CB -0.392 40.413 40.800 0.009 0.000 0.959 394 D HN 0.282 nan 8.370 nan 0.000 0.449 395 E N 0.065 120.271 120.200 0.010 0.000 2.472 395 E HA 0.052 4.402 4.350 0.000 0.000 0.200 395 E C 0.425 177.032 176.600 0.011 0.000 1.046 395 E CA -0.080 56.326 56.400 0.010 0.000 0.871 395 E CB -0.126 29.580 29.700 0.010 0.000 0.806 395 E HN 0.331 nan 8.360 nan 0.000 0.533 396 L N 0.740 121.970 121.223 0.013 0.000 2.439 396 L HA 0.063 4.403 4.340 0.000 0.000 0.269 396 L C 0.841 177.717 176.870 0.009 0.000 1.179 396 L CA -0.248 54.600 54.840 0.013 0.000 0.828 396 L CB 0.792 42.861 42.059 0.015 0.000 1.106 396 L HN 0.060 nan 8.230 nan 0.000 0.467 397 S N 1.291 116.996 115.700 0.009 0.000 2.579 397 S HA -0.027 4.443 4.470 0.000 0.000 0.275 397 S C 0.962 175.565 174.600 0.004 0.000 1.345 397 S CA -0.395 57.809 58.200 0.006 0.000 1.031 397 S CB 1.227 64.431 63.200 0.007 0.000 0.892 397 S HN 0.651 nan 8.310 nan 0.000 0.529 398 E N 1.799 122.000 120.200 0.003 0.000 2.118 398 E HA -0.154 4.196 4.350 0.000 0.000 0.195 398 E C 1.847 178.446 176.600 -0.001 0.000 0.992 398 E CA 1.989 58.389 56.400 0.001 0.000 0.804 398 E CB -0.197 29.503 29.700 0.001 0.000 0.741 398 E HN 0.870 nan 8.360 nan 0.000 0.458 399 E N -0.283 119.917 120.200 0.000 0.000 2.047 399 E HA -0.178 4.172 4.350 0.000 0.000 0.191 399 E C 1.446 178.045 176.600 -0.002 0.000 0.987 399 E CA 1.228 57.628 56.400 -0.000 0.000 0.799 399 E CB 0.004 29.706 29.700 0.002 0.000 0.752 399 E HN 0.191 nan 8.360 nan 0.000 0.449 400 D N 0.526 120.927 120.400 0.002 0.000 2.144 400 D HA -0.138 4.502 4.640 0.000 0.000 0.199 400 D C 1.685 177.981 176.300 -0.007 0.000 0.984 400 D CA 1.059 55.062 54.000 0.006 0.000 0.834 400 D CB -0.006 40.803 40.800 0.016 0.000 0.955 400 D HN 0.150 nan 8.370 nan 0.000 0.465 401 K N 0.017 120.411 120.400 -0.010 0.000 2.280 401 K HA -0.099 4.221 4.320 0.000 0.000 0.202 401 K C 1.874 178.449 176.600 -0.042 0.000 1.047 401 K CA 0.231 56.503 56.287 -0.025 0.000 0.942 401 K CB 0.060 32.551 32.500 -0.015 0.000 0.739 401 K HN 0.058 nan 8.250 nan 0.000 0.457 402 L N 0.952 122.156 121.223 -0.031 0.000 2.270 402 L HA -0.095 4.245 4.340 0.000 0.000 0.210 402 L C 2.400 179.237 176.870 -0.055 0.000 1.104 402 L CA 1.618 56.436 54.840 -0.036 0.000 0.804 402 L CB -0.569 41.479 42.059 -0.019 0.000 0.937 402 L HN 0.259 nan 8.230 nan 0.000 0.450 403 T N -3.771 110.754 114.554 -0.049 0.000 2.737 403 T HA -0.138 4.212 4.350 0.000 0.000 0.265 403 T C 1.857 176.474 174.700 -0.139 0.000 1.038 403 T CA 1.569 63.635 62.100 -0.056 0.000 1.144 403 T CB -0.969 67.891 68.868 -0.013 0.000 0.866 403 T HN 0.086 nan 8.240 nan 0.000 0.434 404 V N 2.429 122.239 119.914 -0.174 0.000 2.282 404 V HA -0.218 3.902 4.120 0.000 0.000 0.249 404 V C 3.125 179.009 176.094 -0.350 0.000 1.057 404 V CA 2.317 64.392 62.300 -0.376 0.000 1.032 404 V CB -1.254 30.423 31.823 -0.243 0.000 0.645 404 V HN 0.619 nan 8.190 nan 0.000 0.447 405 S N -0.109 115.477 115.700 -0.191 0.000 2.351 405 S HA -0.247 4.223 4.470 0.000 0.000 0.220 405 S C 2.080 176.578 174.600 -0.170 0.000 1.035 405 S CA 1.742 59.854 58.200 -0.147 0.000 1.031 405 S CB -0.436 62.716 63.200 -0.080 0.000 0.928 405 S HN 0.509 nan 8.310 nan 0.000 0.433 406 R N 1.243 121.655 120.500 -0.146 0.000 2.091 406 R HA -0.032 4.308 4.340 0.000 0.000 0.238 406 R C 2.622 178.837 176.300 -0.141 0.000 1.136 406 R CA 1.283 57.300 56.100 -0.138 0.000 0.959 406 R CB -0.602 29.649 30.300 -0.080 0.000 0.856 406 R HN 0.460 nan 8.270 nan 0.000 0.437 407 A N 0.985 123.705 122.820 -0.166 0.000 1.902 407 A HA -0.169 4.151 4.320 0.000 0.000 0.217 407 A C 2.005 179.519 177.584 -0.117 0.000 1.181 407 A CA 1.296 53.258 52.037 -0.125 0.000 0.623 407 A CB -0.335 18.547 19.000 -0.196 0.000 0.818 407 A HN 0.237 nan 8.150 nan 0.000 0.443 408 R N -0.443 119.912 120.500 -0.241 0.000 2.189 408 R HA -0.018 4.322 4.340 0.000 0.000 0.218 408 R C 1.853 178.110 176.300 -0.072 0.000 1.074 408 R CA 1.286 57.312 56.100 -0.122 0.000 0.991 408 R CB -0.129 30.079 30.300 -0.154 0.000 0.883 408 R HN 0.492 nan 8.270 nan 0.000 0.457 409 K N 0.093 120.384 120.400 -0.182 0.000 2.262 409 K HA 0.068 4.389 4.320 0.000 0.000 0.200 409 K C 1.862 178.283 176.600 -0.298 0.000 1.049 409 K CA 0.616 56.662 56.287 -0.402 0.000 0.979 409 K CB 0.204 32.215 32.500 -0.814 0.000 0.773 409 K HN 0.086 nan 8.250 nan 0.000 0.474 410 I N 1.269 121.787 120.570 -0.087 0.000 2.286 410 I HA -0.237 3.933 4.170 0.000 0.000 0.245 410 I C 2.639 178.909 176.117 0.255 0.000 1.104 410 I CA 1.111 62.526 61.300 0.192 0.000 1.397 410 I CB 0.025 38.144 38.000 0.199 0.000 1.072 410 I HN 0.194 nan 8.210 nan 0.000 0.417 411 Q N 0.508 120.394 119.800 0.144 0.000 2.061 411 Q HA -0.249 4.091 4.340 0.000 0.000 0.204 411 Q C 2.370 178.467 176.000 0.162 0.000 0.984 411 Q CA 1.769 57.658 55.803 0.144 0.000 0.846 411 Q CB 0.056 28.878 28.738 0.140 0.000 0.902 411 Q HN 0.364 nan 8.270 nan 0.000 0.421 412 R N -0.782 119.824 120.500 0.176 0.000 2.075 412 R HA -0.110 4.230 4.340 0.000 0.000 0.232 412 R C 1.982 178.431 176.300 0.248 0.000 1.126 412 R CA 1.238 57.486 56.100 0.248 0.000 0.963 412 R CB -0.298 30.188 30.300 0.310 0.000 0.858 412 R HN 0.214 nan 8.270 nan 0.000 0.435 413 F N 1.057 121.058 119.950 0.085 0.000 2.494 413 F HA -0.060 4.468 4.527 0.000 0.000 0.298 413 F C 1.378 177.271 175.800 0.154 0.000 1.106 413 F CA 1.010 59.031 58.000 0.036 0.000 1.452 413 F CB 0.052 38.928 39.000 -0.207 0.000 1.085 413 F HN -0.034 nan 8.300 nan 0.000 0.569 414 L N -0.576 120.756 121.223 0.182 0.000 2.395 414 L HA -0.019 4.321 4.340 0.000 0.000 0.218 414 L C 1.468 178.309 176.870 -0.047 0.000 1.130 414 L CA 0.341 55.248 54.840 0.113 0.000 0.826 414 L CB -0.746 41.378 42.059 0.107 0.000 0.941 414 L HN 0.113 nan 8.230 nan 0.000 0.451 415 S N -0.183 115.464 115.700 -0.087 0.000 2.632 415 S HA 0.433 4.903 4.470 0.000 0.000 0.267 415 S C -0.351 174.099 174.600 -0.250 0.000 1.276 415 S CA -0.540 57.555 58.200 -0.176 0.000 0.998 415 S CB 1.901 64.960 63.200 -0.235 0.000 0.953 415 S HN 0.287 nan 8.310 nan 0.000 0.547 416 Q N 0.017 119.645 119.800 -0.286 0.000 2.617 416 Q HA 0.356 4.696 4.340 0.000 0.000 0.270 416 Q C -3.322 172.511 176.000 -0.279 0.000 0.967 416 Q CA -1.660 53.994 55.803 -0.248 0.000 0.887 416 Q CB 2.014 30.673 28.738 -0.132 0.000 1.516 416 Q HN 0.532 nan 8.270 nan 0.000 0.395 417 P HA 0.287 nan 4.420 nan 0.000 0.282 417 P C -1.110 176.274 177.300 0.141 0.000 1.262 417 P CA -0.110 62.938 63.100 -0.087 0.000 0.773 417 P CB 0.214 31.888 31.700 -0.043 0.000 0.879 418 F N 1.696 121.652 119.950 0.009 0.000 2.399 418 F HA 0.280 4.807 4.527 -0.000 0.000 0.334 418 F C 2.126 177.943 175.800 0.029 0.000 1.097 418 F CA -1.140 56.871 58.000 0.019 0.000 1.076 418 F CB 1.076 40.093 39.000 0.027 0.000 1.162 418 F HN 0.437 nan 8.300 nan 0.000 0.495 419 Q N 1.692 121.604 119.800 0.188 0.000 2.002 419 Q HA -0.132 4.208 4.340 0.000 0.000 0.204 419 Q C 1.453 177.524 176.000 0.119 0.000 0.988 419 Q CA 2.501 58.369 55.803 0.108 0.000 0.843 419 Q CB -0.179 28.590 28.738 0.051 0.000 0.908 419 Q HN 0.525 nan 8.270 nan 0.000 0.420 420 V N 0.941 120.927 119.914 0.120 0.000 2.636 420 V HA -0.260 3.860 4.120 0.000 0.000 0.258 420 V C 1.849 178.060 176.094 0.196 0.000 1.092 420 V CA 1.779 64.155 62.300 0.127 0.000 1.110 420 V CB -0.832 31.049 31.823 0.096 0.000 0.685 420 V HN 0.535 nan 8.190 nan 0.000 0.481 421 A N -1.375 121.596 122.820 0.251 0.000 2.535 421 A HA 0.244 4.564 4.320 0.000 0.000 0.273 421 A C 1.689 179.399 177.584 0.210 0.000 1.267 421 A CA -0.114 52.090 52.037 0.278 0.000 0.940 421 A CB -0.130 18.980 19.000 0.184 0.000 1.101 421 A HN 0.508 nan 8.150 nan 0.000 0.521 422 E N -0.057 120.222 120.200 0.131 0.000 2.085 422 E HA -0.176 4.175 4.350 0.000 0.000 0.194 422 E C 1.606 178.212 176.600 0.009 0.000 0.994 422 E CA 1.659 58.106 56.400 0.079 0.000 0.801 422 E CB -0.242 29.490 29.700 0.053 0.000 0.743 422 E HN 0.467 nan 8.360 nan 0.000 0.453 423 V N 0.245 120.098 119.914 -0.100 0.000 2.828 423 V HA -0.218 3.902 4.120 0.000 0.000 0.260 423 V C 1.460 177.329 176.094 -0.377 0.000 1.101 423 V CA 1.545 63.666 62.300 -0.298 0.000 1.123 423 V CB -0.617 30.866 31.823 -0.568 0.000 0.704 423 V HN 0.196 nan 8.190 nan 0.000 0.493 424 F N 0.163 120.109 119.950 -0.007 0.000 2.637 424 F HA 0.066 4.593 4.527 -0.000 0.000 0.284 424 F C 2.545 178.353 175.800 0.013 0.000 1.105 424 F CA 0.900 58.890 58.000 -0.017 0.000 1.356 424 F CB -0.657 38.302 39.000 -0.068 0.000 1.096 424 F HN 0.153 nan 8.300 nan 0.000 0.616 425 T N -2.764 111.921 114.554 0.218 0.000 3.023 425 T HA 0.249 4.599 4.350 0.000 0.000 0.266 425 T C 1.949 176.797 174.700 0.247 0.000 1.093 425 T CA 0.900 63.153 62.100 0.256 0.000 1.129 425 T CB -0.344 68.669 68.868 0.242 0.000 0.899 425 T HN 0.468 nan 8.240 nan 0.000 0.491 426 G N 0.998 109.851 108.800 0.088 0.000 2.148 426 G HA2 -0.205 3.755 3.960 0.000 0.000 0.254 426 G HA3 -0.205 3.755 3.960 0.000 0.000 0.254 426 G C -0.147 174.645 174.900 -0.180 0.000 0.981 426 G CA 0.425 45.480 45.100 -0.076 0.000 0.670 426 G HN 0.846 nan 8.290 nan 0.000 0.528 427 H N -1.795 117.291 119.070 0.027 0.000 2.865 427 H HA 0.670 5.226 4.556 0.000 0.000 0.372 427 H C -0.093 175.247 175.328 0.021 0.000 1.173 427 H CA -0.997 55.064 56.048 0.021 0.000 1.147 427 H CB 1.438 31.210 29.762 0.018 0.000 1.805 427 H HN 0.199 nan 8.280 nan 0.000 0.553 428 L N 1.685 123.006 121.223 0.162 0.000 2.410 428 L HA 0.302 4.642 4.340 0.000 0.000 0.273 428 L C 0.904 177.829 176.870 0.092 0.000 1.144 428 L CA 0.283 55.180 54.840 0.096 0.000 0.863 428 L CB 0.205 42.305 42.059 0.068 0.000 1.140 428 L HN 0.884 nan 8.230 nan 0.000 0.463 429 G N 4.332 113.185 108.800 0.088 0.000 2.414 429 G HA2 0.160 4.120 3.960 0.000 0.000 0.236 429 G HA3 0.160 4.120 3.960 0.000 0.000 0.236 429 G C -0.443 174.503 174.900 0.075 0.000 1.293 429 G CA -0.437 44.724 45.100 0.101 0.000 0.869 429 G HN 0.482 nan 8.290 nan 0.000 0.556 430 K N 0.508 120.956 120.400 0.081 0.000 2.318 430 K HA 0.494 4.814 4.320 0.000 0.000 0.249 430 K C -1.279 175.356 176.600 0.059 0.000 0.942 430 K CA -1.075 55.244 56.287 0.053 0.000 0.808 430 K CB 2.507 35.022 32.500 0.026 0.000 1.189 430 K HN 0.292 nan 8.250 nan 0.000 0.428 431 L N 2.531 123.776 121.223 0.036 0.000 2.345 431 L HA 0.353 4.693 4.340 0.000 0.000 0.274 431 L C -1.291 175.591 176.870 0.021 0.000 0.999 431 L CA -0.729 54.127 54.840 0.025 0.000 0.849 431 L CB 1.570 43.638 42.059 0.015 0.000 1.220 431 L HN 0.281 nan 8.230 nan 0.000 0.422 432 V N 6.963 126.887 119.914 0.017 0.000 2.407 432 V HA 0.509 4.629 4.120 0.000 0.000 0.278 432 V C -1.992 174.113 176.094 0.018 0.000 1.037 432 V CA -1.570 60.742 62.300 0.019 0.000 0.900 432 V CB 1.273 33.102 31.823 0.010 0.000 0.983 432 V HN 0.664 nan 8.190 nan 0.000 0.459 433 P HA 0.127 nan 4.420 nan 0.000 0.271 433 P C 0.708 178.019 177.300 0.017 0.000 1.216 433 P CA -0.406 62.706 63.100 0.020 0.000 0.776 433 P CB 0.827 32.541 31.700 0.023 0.000 0.881 434 L N 4.714 125.940 121.223 0.004 0.000 1.991 434 L HA -0.267 4.073 4.340 0.000 0.000 0.221 434 L C 2.227 179.080 176.870 -0.029 0.000 1.079 434 L CA 2.348 57.173 54.840 -0.025 0.000 0.778 434 L CB -1.308 40.733 42.059 -0.029 0.000 0.893 434 L HN 0.470 nan 8.230 nan 0.000 0.437 435 K N -1.652 118.744 120.400 -0.007 0.000 2.211 435 K HA -0.177 4.143 4.320 0.000 0.000 0.204 435 K C 1.624 178.245 176.600 0.035 0.000 1.047 435 K CA 1.582 57.873 56.287 0.006 0.000 0.935 435 K CB -0.428 32.083 32.500 0.018 0.000 0.728 435 K HN 0.351 nan 8.250 nan 0.000 0.452 436 E N 0.830 121.058 120.200 0.047 0.000 2.152 436 E HA -0.068 4.282 4.350 0.000 0.000 0.192 436 E C 1.890 178.567 176.600 0.127 0.000 0.983 436 E CA 1.340 57.786 56.400 0.077 0.000 0.818 436 E CB -0.228 29.514 29.700 0.070 0.000 0.758 436 E HN 0.442 nan 8.360 nan 0.000 0.467 437 T N 2.158 116.783 114.554 0.119 0.000 2.770 437 T HA -0.025 4.325 4.350 0.000 0.000 0.258 437 T C 2.031 176.895 174.700 0.273 0.000 1.039 437 T CA 0.598 62.829 62.100 0.218 0.000 1.143 437 T CB -0.040 68.910 68.868 0.136 0.000 0.866 437 T HN 0.049 nan 8.240 nan 0.000 0.428 438 I N 1.742 122.368 120.570 0.094 0.000 2.151 438 I HA -0.207 3.963 4.170 0.000 0.000 0.243 438 I C 2.439 178.648 176.117 0.153 0.000 1.080 438 I CA 1.655 62.997 61.300 0.069 0.000 1.339 438 I CB -1.090 36.887 38.000 -0.038 0.000 1.039 438 I HN 0.287 nan 8.210 nan 0.000 0.409 439 K N 1.219 121.691 120.400 0.119 0.000 1.969 439 K HA -0.169 4.151 4.320 0.000 0.000 0.216 439 K C 2.249 178.923 176.600 0.123 0.000 1.048 439 K CA 1.965 58.317 56.287 0.108 0.000 0.948 439 K CB -0.660 31.890 32.500 0.082 0.000 0.726 439 K HN 0.323 nan 8.250 nan 0.000 0.442 440 G N 0.383 109.251 108.800 0.113 0.000 2.545 440 G HA2 -0.275 3.685 3.960 0.000 0.000 0.222 440 G HA3 -0.275 3.685 3.960 0.000 0.000 0.222 440 G C 1.300 176.136 174.900 -0.106 0.000 1.126 440 G CA 1.194 46.278 45.100 -0.027 0.000 0.754 440 G HN 0.310 nan 8.290 nan 0.000 0.583 441 F N 0.608 120.665 119.950 0.179 0.000 2.293 441 F HA 0.089 4.616 4.527 0.000 0.000 0.297 441 F C 2.996 178.839 175.800 0.072 0.000 1.089 441 F CA 1.121 59.204 58.000 0.139 0.000 1.377 441 F CB -0.347 38.744 39.000 0.152 0.000 1.051 441 F HN 0.175 nan 8.300 nan 0.000 0.511 442 Q N 0.111 120.043 119.800 0.219 0.000 1.975 442 Q HA -0.296 4.044 4.340 0.000 0.000 0.205 442 Q C 2.201 178.252 176.000 0.085 0.000 0.990 442 Q CA 2.183 58.065 55.803 0.130 0.000 0.845 442 Q CB -0.516 28.278 28.738 0.094 0.000 0.913 442 Q HN 0.463 nan 8.270 nan 0.000 0.420 443 Q N 0.303 120.143 119.800 0.066 0.000 2.118 443 Q HA -0.230 4.110 4.340 0.000 0.000 0.211 443 Q C 2.139 178.157 176.000 0.031 0.000 0.998 443 Q CA 1.794 57.607 55.803 0.017 0.000 0.872 443 Q CB -0.422 28.348 28.738 0.054 0.000 0.925 443 Q HN 0.446 nan 8.270 nan 0.000 0.414 444 I N 0.436 121.054 120.570 0.079 0.000 2.151 444 I HA -0.323 3.847 4.170 0.000 0.000 0.243 444 I C 2.328 178.456 176.117 0.018 0.000 1.080 444 I CA 1.187 62.506 61.300 0.032 0.000 1.339 444 I CB -0.447 37.491 38.000 -0.104 0.000 1.039 444 I HN 0.244 nan 8.210 nan 0.000 0.409 445 L N 0.728 121.985 121.223 0.057 0.000 2.012 445 L HA -0.209 4.131 4.340 0.000 0.000 0.210 445 L C 2.633 179.514 176.870 0.018 0.000 1.073 445 L CA 1.510 56.378 54.840 0.047 0.000 0.748 445 L CB -0.621 41.483 42.059 0.074 0.000 0.891 445 L HN 0.271 nan 8.230 nan 0.000 0.431 446 A N -0.429 122.398 122.820 0.013 0.000 2.248 446 A HA 0.110 4.430 4.320 0.000 0.000 0.210 446 A C 1.667 179.235 177.584 -0.027 0.000 1.174 446 A CA 0.872 52.905 52.037 -0.008 0.000 0.750 446 A CB -0.840 18.151 19.000 -0.015 0.000 0.780 446 A HN 0.638 nan 8.150 nan 0.000 0.478 447 G N -0.698 108.087 108.800 -0.025 0.000 2.153 447 G HA2 -0.288 3.672 3.960 0.000 0.000 0.252 447 G HA3 -0.288 3.672 3.960 0.000 0.000 0.252 447 G C 0.367 175.236 174.900 -0.051 0.000 0.994 447 G CA 0.568 45.655 45.100 -0.022 0.000 0.698 447 G HN 0.668 nan 8.290 nan 0.000 0.521 448 E N -1.164 118.943 120.200 -0.154 0.000 2.511 448 E HA 0.148 4.498 4.350 0.000 0.000 0.196 448 E C 0.403 176.695 176.600 -0.514 0.000 1.066 448 E CA 0.413 56.605 56.400 -0.347 0.000 0.871 448 E CB 0.081 29.469 29.700 -0.521 0.000 0.863 448 E HN 0.710 nan 8.360 nan 0.000 0.520 449 Y N -0.901 119.437 120.300 0.063 0.000 2.809 449 Y HA 0.122 4.673 4.550 0.000 0.000 0.251 449 Y C 0.432 176.251 175.900 -0.135 0.000 1.136 449 Y CA -0.821 57.214 58.100 -0.108 0.000 1.185 449 Y CB 0.486 38.955 38.460 0.015 0.000 1.260 449 Y HN -0.075 nan 8.280 nan 0.000 0.576 450 D N -0.303 120.168 120.400 0.119 0.000 2.351 450 D HA -0.147 4.493 4.640 0.000 0.000 0.216 450 D C 1.978 178.346 176.300 0.112 0.000 0.968 450 D CA 1.322 55.377 54.000 0.091 0.000 0.899 450 D CB -0.069 40.776 40.800 0.076 0.000 0.907 450 D HN 0.600 nan 8.370 nan 0.000 0.514 451 H N -0.654 118.484 119.070 0.112 0.000 2.465 451 H HA 0.114 4.670 4.556 0.000 0.000 0.289 451 H C 1.083 176.473 175.328 0.104 0.000 1.022 451 H CA -0.078 56.022 56.048 0.086 0.000 1.340 451 H CB -0.394 29.406 29.762 0.063 0.000 1.437 451 H HN 0.078 nan 8.280 nan 0.000 0.539 452 L N 2.912 123.931 121.223 -0.339 0.000 2.473 452 L HA 0.176 4.516 4.340 0.000 0.000 0.268 452 L C -1.974 174.917 176.870 0.035 0.000 1.215 452 L CA -1.795 52.946 54.840 -0.165 0.000 0.823 452 L CB 0.173 42.037 42.059 -0.326 0.000 1.099 452 L HN 0.132 nan 8.230 nan 0.000 0.483 453 P HA 0.175 nan 4.420 nan 0.000 0.281 453 P C -0.182 177.226 177.300 0.179 0.000 1.249 453 P CA -0.541 62.599 63.100 0.066 0.000 0.810 453 P CB 0.903 32.609 31.700 0.011 0.000 1.008 454 E N 0.748 121.075 120.200 0.211 0.000 2.023 454 E HA -0.255 4.095 4.350 0.000 0.000 0.196 454 E C 1.887 178.671 176.600 0.307 0.000 1.003 454 E CA 1.304 57.894 56.400 0.316 0.000 0.809 454 E CB -0.296 29.489 29.700 0.142 0.000 0.755 454 E HN 0.523 nan 8.360 nan 0.000 0.449 455 Q N 0.516 120.394 119.800 0.131 0.000 2.325 455 Q HA -0.206 4.134 4.340 0.000 0.000 0.211 455 Q C 2.053 178.088 176.000 0.058 0.000 0.988 455 Q CA 1.530 57.386 55.803 0.089 0.000 0.887 455 Q CB -0.573 28.181 28.738 0.027 0.000 0.915 455 Q HN 0.288 nan 8.270 nan 0.000 0.440 456 A N 0.568 123.339 122.820 -0.082 0.000 1.969 456 A HA -0.053 4.267 4.320 0.000 0.000 0.218 456 A C 1.712 179.092 177.584 -0.340 0.000 1.169 456 A CA 0.939 52.789 52.037 -0.312 0.000 0.635 456 A CB -0.642 17.993 19.000 -0.609 0.000 0.810 456 A HN 0.315 nan 8.150 nan 0.000 0.445 457 F N -2.203 117.752 119.950 0.007 0.000 2.416 457 F HA 0.116 4.643 4.527 0.000 0.000 0.296 457 F C 1.043 176.934 175.800 0.151 0.000 1.099 457 F CA -0.062 57.973 58.000 0.059 0.000 1.427 457 F CB -0.592 38.431 39.000 0.037 0.000 1.079 457 F HN 0.264 nan 8.300 nan 0.000 0.536 458 Y N 1.836 122.238 120.300 0.170 0.000 2.610 458 Y HA 0.112 4.662 4.550 -0.000 0.000 0.332 458 Y C 0.775 176.674 175.900 -0.002 0.000 1.201 458 Y CA -0.972 57.181 58.100 0.088 0.000 1.465 458 Y CB 0.213 38.714 38.460 0.069 0.000 1.283 458 Y HN 0.009 nan 8.280 nan 0.000 0.563 459 M N 5.867 125.071 119.600 -0.660 0.000 2.852 459 M HA -0.166 4.314 4.480 0.000 0.000 0.176 459 M C -1.240 174.844 176.300 -0.360 0.000 1.160 459 M CA 1.127 56.037 55.300 -0.650 0.000 0.702 459 M CB -2.381 29.686 32.600 -0.888 0.000 1.193 459 M HN 0.534 nan 8.290 nan 0.000 0.775 460 V N -1.884 117.911 119.914 -0.199 0.000 3.182 460 V HA 1.084 5.204 4.120 0.000 0.000 0.308 460 V C 0.439 176.490 176.094 -0.071 0.000 1.240 460 V CA -0.061 62.188 62.300 -0.084 0.000 1.063 460 V CB 1.796 33.632 31.823 0.023 0.000 1.076 460 V HN 0.500 nan 8.190 nan 0.000 0.446 461 G N 0.018 108.811 108.800 -0.011 0.000 2.992 461 G HA2 0.502 4.462 3.960 0.000 0.000 0.195 461 G HA3 0.502 4.462 3.960 0.000 0.000 0.195 461 G C -2.282 172.663 174.900 0.074 0.000 2.032 461 G CA -0.355 44.738 45.100 -0.012 0.000 0.831 461 G HN 0.788 nan 8.290 nan 0.000 0.647 462 P HA 0.089 nan 4.420 nan 0.000 0.270 462 P C 0.728 178.150 177.300 0.204 0.000 1.223 462 P CA -0.347 62.858 63.100 0.175 0.000 0.785 462 P CB 1.327 33.078 31.700 0.084 0.000 0.923 463 I N 1.535 122.174 120.570 0.114 0.000 2.286 463 I HA -0.273 3.897 4.170 0.000 0.000 0.248 463 I C 1.934 177.921 176.117 -0.215 0.000 1.115 463 I CA 1.777 62.928 61.300 -0.247 0.000 1.392 463 I CB -0.552 37.209 38.000 -0.398 0.000 1.065 463 I HN 0.301 nan 8.210 nan 0.000 0.418 464 E N 0.607 120.755 120.200 -0.086 0.000 2.171 464 E HA -0.260 4.090 4.350 0.000 0.000 0.197 464 E C 1.979 178.526 176.600 -0.089 0.000 0.997 464 E CA 1.711 58.069 56.400 -0.070 0.000 0.810 464 E CB -0.259 29.432 29.700 -0.014 0.000 0.738 464 E HN 0.627 nan 8.360 nan 0.000 0.467 465 E N -0.057 120.105 120.200 -0.064 0.000 2.285 465 E HA -0.028 4.322 4.350 0.000 0.000 0.194 465 E C 1.931 178.456 176.600 -0.126 0.000 0.997 465 E CA 0.678 57.042 56.400 -0.060 0.000 0.845 465 E CB 0.016 29.709 29.700 -0.012 0.000 0.782 465 E HN 0.284 nan 8.360 nan 0.000 0.491 466 A N 1.106 123.795 122.820 -0.218 0.000 1.970 466 A HA -0.044 4.276 4.320 0.000 0.000 0.216 466 A C 2.431 179.705 177.584 -0.516 0.000 1.170 466 A CA 0.558 52.349 52.037 -0.410 0.000 0.645 466 A CB -0.276 18.374 19.000 -0.583 0.000 0.816 466 A HN 0.083 nan 8.150 nan 0.000 0.447 467 V N -0.241 119.423 119.914 -0.416 0.000 2.323 467 V HA -0.184 3.936 4.120 0.000 0.000 0.244 467 V C 3.046 179.032 176.094 -0.179 0.000 1.041 467 V CA 1.774 63.891 62.300 -0.304 0.000 1.025 467 V CB -1.007 30.705 31.823 -0.185 0.000 0.656 467 V HN 0.596 nan 8.190 nan 0.000 0.451 468 A N -0.001 122.738 122.820 -0.135 0.000 1.851 468 A HA -0.322 3.998 4.320 0.000 0.000 0.216 468 A C 2.304 179.836 177.584 -0.087 0.000 1.195 468 A CA 2.457 54.445 52.037 -0.082 0.000 0.622 468 A CB -0.698 18.268 19.000 -0.057 0.000 0.831 468 A HN 0.508 nan 8.150 nan 0.000 0.444 469 K N -0.360 119.975 120.400 -0.108 0.000 2.173 469 K HA -0.201 4.119 4.320 0.000 0.000 0.207 469 K C 2.006 178.544 176.600 -0.103 0.000 1.046 469 K CA 1.468 57.703 56.287 -0.088 0.000 0.929 469 K CB -0.336 32.109 32.500 -0.092 0.000 0.720 469 K HN 0.422 nan 8.250 nan 0.000 0.453 470 A N 1.246 123.970 122.820 -0.160 0.000 1.930 470 A HA -0.165 4.155 4.320 0.000 0.000 0.217 470 A C 1.584 179.126 177.584 -0.070 0.000 1.175 470 A CA 1.842 53.793 52.037 -0.143 0.000 0.627 470 A CB -0.403 18.474 19.000 -0.205 0.000 0.815 470 A HN 0.387 nan 8.150 nan 0.000 0.443 471 D N -0.354 120.012 120.400 -0.056 0.000 2.097 471 D HA -0.136 4.505 4.640 0.000 0.000 0.197 471 D C 1.863 178.150 176.300 -0.021 0.000 0.984 471 D CA 1.537 55.521 54.000 -0.027 0.000 0.826 471 D CB -0.328 40.460 40.800 -0.021 0.000 0.973 471 D HN 0.516 nan 8.370 nan 0.000 0.460 472 K N 0.434 120.819 120.400 -0.025 0.000 2.152 472 K HA -0.070 4.250 4.320 0.000 0.000 0.206 472 K C 1.988 178.581 176.600 -0.012 0.000 1.048 472 K CA 0.700 56.978 56.287 -0.014 0.000 0.933 472 K CB -0.037 32.457 32.500 -0.010 0.000 0.721 472 K HN 0.129 nan 8.250 nan 0.000 0.447 473 L N 0.260 121.471 121.223 -0.020 0.000 2.395 473 L HA 0.089 4.429 4.340 0.000 0.000 0.218 473 L C 0.975 177.839 176.870 -0.010 0.000 1.130 473 L CA 0.249 55.081 54.840 -0.014 0.000 0.826 473 L CB -0.942 41.103 42.059 -0.023 0.000 0.941 473 L HN 0.310 nan 8.230 nan 0.000 0.451 474 A N 0.000 122.813 122.820 -0.011 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.034 52.037 -0.004 0.000 0.836 474 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486