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 2w6i_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 0.316 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 0.621 115.288 114.554 0.188 0.000 2.786 10 T HA 0.791 5.141 4.350 0.000 0.000 0.283 10 T C 0.626 175.060 174.700 -0.443 0.000 0.992 10 T CA -0.474 61.603 62.100 -0.037 0.000 0.954 10 T CB 1.438 70.270 68.868 -0.060 0.000 0.934 10 T HN 1.175 nan 8.240 nan 0.000 0.440 11 G N 1.902 110.076 108.800 -1.043 0.000 2.705 11 G HA2 0.744 4.704 3.960 0.000 0.000 0.299 11 G HA3 0.744 4.704 3.960 0.000 0.000 0.299 11 G C -0.957 173.574 174.900 -0.615 0.000 1.315 11 G CA -1.226 42.980 45.100 -1.490 0.000 1.045 11 G HN 0.699 nan 8.290 nan 0.000 0.517 12 R N -0.926 119.317 120.500 -0.428 0.000 2.621 12 R HA 0.386 4.726 4.340 0.000 0.000 0.292 12 R C -0.360 175.850 176.300 -0.151 0.000 0.969 12 R CA -0.697 55.268 56.100 -0.224 0.000 0.887 12 R CB 2.222 32.428 30.300 -0.156 0.000 1.180 12 R HN 0.393 nan 8.270 nan 0.000 0.450 13 I N 4.380 124.890 120.570 -0.100 0.000 2.581 13 I HA -0.086 4.084 4.170 0.000 0.000 0.285 13 I C 1.620 177.709 176.117 -0.047 0.000 1.129 13 I CA 0.134 61.398 61.300 -0.059 0.000 1.397 13 I CB 0.826 38.802 38.000 -0.040 0.000 1.399 13 I HN 0.588 nan 8.210 nan 0.000 0.537 14 V N 4.134 124.027 119.914 -0.034 0.000 2.672 14 V HA 0.433 4.554 4.120 0.000 0.000 0.242 14 V C 0.788 176.873 176.094 -0.015 0.000 1.059 14 V CA 0.732 63.017 62.300 -0.025 0.000 1.081 14 V CB 0.045 31.857 31.823 -0.019 0.000 0.752 14 V HN 0.697 nan 8.190 nan 0.000 0.472 15 A N -0.585 122.230 122.820 -0.009 0.000 2.539 15 A HA 0.842 5.162 4.320 0.000 0.000 0.296 15 A C -1.206 176.376 177.584 -0.003 0.000 1.073 15 A CA -0.452 51.582 52.037 -0.005 0.000 0.700 15 A CB 2.344 21.343 19.000 -0.001 0.000 1.296 15 A HN 0.573 nan 8.150 nan 0.000 0.405 16 V N 1.468 121.380 119.914 -0.003 0.000 2.668 16 V HA 0.529 4.649 4.120 0.000 0.000 0.304 16 V C -1.461 174.632 176.094 -0.002 0.000 1.071 16 V CA -0.094 62.205 62.300 -0.002 0.000 0.894 16 V CB 1.486 33.307 31.823 -0.004 0.000 1.008 16 V HN 0.684 nan 8.190 nan 0.000 0.425 17 I N 4.506 125.076 120.570 -0.001 0.000 2.540 17 I HA 0.695 4.866 4.170 0.000 0.000 0.280 17 I C 0.775 176.891 176.117 -0.002 0.000 1.083 17 I CA 0.705 62.004 61.300 -0.002 0.000 1.080 17 I CB 1.489 39.488 38.000 -0.002 0.000 1.205 17 I HN 0.847 nan 8.210 nan 0.000 0.459 18 G N 4.625 113.423 108.800 -0.003 0.000 2.622 18 G HA2 -0.276 3.685 3.960 0.000 0.000 0.307 18 G HA3 -0.276 3.685 3.960 0.000 0.000 0.307 18 G C 0.847 175.746 174.900 -0.002 0.000 1.226 18 G CA 0.601 45.699 45.100 -0.004 0.000 0.997 18 G HN 1.055 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 0.612 4.932 4.320 0.000 0.000 0.227 19 A C 0.614 178.199 177.584 0.002 0.000 1.259 19 A CA 1.201 53.237 52.037 -0.001 0.000 0.870 19 A CB 0.155 19.153 19.000 -0.004 0.000 0.927 19 A HN 1.347 nan 8.150 nan 0.000 0.497 20 V N 1.333 121.249 119.914 0.002 0.000 2.313 20 V HA 0.275 4.396 4.120 0.000 0.000 0.278 20 V C -0.534 175.566 176.094 0.009 0.000 1.017 20 V CA -0.424 61.880 62.300 0.006 0.000 0.823 20 V CB 1.266 33.091 31.823 0.004 0.000 1.010 20 V HN 0.100 nan 8.190 nan 0.000 0.443 21 V N 4.144 124.067 119.914 0.015 0.000 2.370 21 V HA 0.431 4.551 4.120 0.000 0.000 0.283 21 V C -0.411 175.698 176.094 0.025 0.000 1.023 21 V CA -0.605 61.704 62.300 0.016 0.000 0.857 21 V CB 1.846 33.679 31.823 0.017 0.000 0.985 21 V HN 0.759 nan 8.190 nan 0.000 0.443 22 D N 3.615 124.027 120.400 0.020 0.000 2.274 22 D HA 0.536 5.177 4.640 0.000 0.000 0.239 22 D C -0.514 175.801 176.300 0.024 0.000 1.104 22 D CA 0.076 54.093 54.000 0.029 0.000 0.840 22 D CB 1.936 42.748 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 0.369 4.489 4.120 0.000 0.000 0.302 23 V C -0.061 176.070 176.094 0.063 0.000 1.035 23 V CA -0.969 61.348 62.300 0.028 0.000 0.873 23 V CB 1.820 33.679 31.823 0.060 0.000 0.992 23 V HN 0.400 nan 8.190 nan 0.000 0.428 24 Q N 2.799 122.576 119.800 -0.038 0.000 2.256 24 Q HA 0.646 4.986 4.340 0.000 0.000 0.257 24 Q C -1.906 174.035 176.000 -0.098 0.000 0.936 24 Q CA -0.400 55.402 55.803 -0.001 0.000 0.903 24 Q CB 1.455 30.172 28.738 -0.034 0.000 1.263 24 Q HN 0.612 nan 8.270 nan 0.000 0.440 25 F N 1.659 121.580 119.950 -0.050 0.000 2.522 25 F HA 0.303 4.831 4.527 0.001 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 0.137 120.610 120.400 0.122 0.000 2.369 26 D HA 0.016 4.656 4.640 0.000 0.000 0.231 26 D C -0.131 176.213 176.300 0.073 0.000 0.967 26 D CA 1.015 55.053 54.000 0.064 0.000 0.905 26 D CB 0.396 41.207 40.800 0.019 0.000 1.044 26 D HN 0.471 nan 8.370 nan 0.000 0.487 27 E N 0.353 120.613 120.200 0.100 0.000 2.191 27 E HA 0.486 4.836 4.350 0.000 0.000 0.263 27 E C 0.070 176.713 176.600 0.072 0.000 0.881 27 E CA -0.851 55.588 56.400 0.065 0.000 0.757 27 E CB 2.137 31.865 29.700 0.047 0.000 1.147 27 E HN 0.119 nan 8.360 nan 0.000 0.414 28 G N 2.549 111.355 108.800 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 -0.805 173.979 174.900 -0.193 0.000 1.008 28 G CA -0.637 44.430 45.100 -0.055 0.000 1.220 28 G HN 0.319 nan 8.290 nan 0.000 0.506 29 L N 5.163 126.238 121.223 -0.247 0.000 2.290 29 L HA 0.606 4.946 4.340 0.000 0.000 0.284 29 L C -1.204 175.412 176.870 -0.424 0.000 1.078 29 L CA -2.353 52.228 54.840 -0.432 0.000 0.815 29 L CB 0.640 42.484 42.059 -0.358 0.000 1.162 29 L HN 0.395 nan 8.230 nan 0.000 0.435 30 P HA 0.294 nan 4.420 nan 0.000 0.275 30 P C -2.742 174.531 177.300 -0.045 0.000 1.227 30 P CA -1.433 61.482 63.100 -0.308 0.000 0.781 30 P CB 0.057 31.540 31.700 -0.362 0.000 0.906 31 P HA 0.165 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 -0.102 63.051 63.100 0.087 0.000 0.788 31 P CB 0.402 32.100 31.700 -0.004 0.000 0.949 32 I N 2.292 122.824 120.570 -0.062 0.000 2.710 32 I HA -0.070 4.100 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 0.563 61.797 61.300 -0.109 0.000 1.430 32 I CB -0.341 37.533 38.000 -0.210 0.000 1.367 32 I HN 0.438 nan 8.210 nan 0.000 0.577 33 L N 2.101 123.249 121.223 -0.126 0.000 3.558 33 L HA -0.217 4.123 4.340 0.000 0.000 0.422 33 L C 0.236 177.051 176.870 -0.092 0.000 0.740 33 L CA 0.090 54.809 54.840 -0.200 0.000 2.578 33 L CB -1.366 40.483 42.059 -0.350 0.000 1.116 33 L HN 0.683 nan 8.230 nan 0.000 0.626 34 N N 1.339 120.009 118.700 -0.049 0.000 2.492 34 N HA 0.455 5.196 4.740 0.000 0.000 0.260 34 N C 0.220 175.733 175.510 0.005 0.000 1.215 34 N CA 0.995 54.033 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 3.258 126.090 122.820 0.020 0.000 2.289 35 A HA 0.513 4.833 4.320 0.000 0.000 0.298 35 A C -0.307 177.298 177.584 0.035 0.000 1.208 35 A CA -0.580 51.477 52.037 0.034 0.000 0.845 35 A CB 0.038 19.060 19.000 0.036 0.000 1.125 35 A HN 0.625 nan 8.150 nan 0.000 0.517 36 L N 1.970 123.224 121.223 0.053 0.000 2.331 36 L HA 0.541 4.881 4.340 0.000 0.000 0.275 36 L C -0.113 176.790 176.870 0.056 0.000 1.022 36 L CA -0.773 54.113 54.840 0.076 0.000 0.812 36 L CB 1.435 43.573 42.059 0.132 0.000 1.257 36 L HN 0.610 nan 8.230 nan 0.000 0.435 37 E N 2.013 122.243 120.200 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 -0.665 55.752 56.400 0.028 0.000 0.761 37 E CB 2.816 32.526 29.700 0.016 0.000 1.116 37 E HN 0.220 nan 8.360 nan 0.000 0.408 38 V N 3.694 123.618 119.914 0.016 0.000 2.637 38 V HA -0.032 4.089 4.120 0.000 0.000 0.296 38 V C 0.522 176.614 176.094 -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 2.255 122.047 119.800 -0.013 0.000 2.222 39 Q HA 0.520 4.860 4.340 0.000 0.000 0.252 39 Q C 0.820 176.811 176.000 -0.015 0.000 0.926 39 Q CA 0.339 56.133 55.803 -0.014 0.000 0.899 39 Q CB 1.529 30.256 28.738 -0.019 0.000 1.250 39 Q HN 1.149 nan 8.270 nan 0.000 0.441 40 G N 2.070 110.863 108.800 -0.012 0.000 2.255 40 G HA2 -0.218 3.742 3.960 0.000 0.000 0.239 40 G HA3 -0.218 3.742 3.960 0.000 0.000 0.239 40 G C -0.253 174.641 174.900 -0.009 0.000 1.083 40 G CA -0.227 44.866 45.100 -0.012 0.000 0.826 40 G HN 0.397 nan 8.290 nan 0.000 0.493 41 R N -0.982 119.514 120.500 -0.007 0.000 2.686 41 R HA 0.416 4.757 4.340 0.000 0.000 0.283 41 R C 1.008 177.306 176.300 -0.004 0.000 0.978 41 R CA -0.614 55.483 56.100 -0.005 0.000 0.897 41 R CB 1.261 31.559 30.300 -0.004 0.000 1.192 41 R HN 0.265 nan 8.270 nan 0.000 0.457 42 E N 0.246 120.444 120.200 -0.003 0.000 2.118 42 E HA -0.143 4.207 4.350 0.000 0.000 0.195 42 E C 0.720 177.320 176.600 -0.002 0.000 0.992 42 E CA 1.585 57.983 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 0.648 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 -0.267 174.434 174.700 0.001 0.000 1.066 43 T CA -1.131 60.969 62.100 0.000 0.000 1.012 43 T CB 1.865 70.734 68.868 0.001 0.000 1.184 43 T HN -0.091 nan 8.240 nan 0.000 0.522 44 R N 0.386 120.887 120.500 0.002 0.000 2.502 44 R HA 0.321 4.662 4.340 0.000 0.000 0.292 44 R C -1.084 175.219 176.300 0.006 0.000 0.998 44 R CA -0.320 55.782 56.100 0.003 0.000 1.056 44 R CB -0.150 30.152 30.300 0.003 0.000 0.939 44 R HN 0.558 nan 8.270 nan 0.000 0.411 45 L N 5.866 127.094 121.223 0.007 0.000 2.388 45 L HA 0.304 4.645 4.340 0.000 0.000 0.267 45 L C -1.320 175.559 176.870 0.016 0.000 0.995 45 L CA -0.500 54.347 54.840 0.011 0.000 0.864 45 L CB 1.760 43.824 42.059 0.009 0.000 1.216 45 L HN 0.282 nan 8.230 nan 0.000 0.430 46 V N 5.695 125.621 119.914 0.020 0.000 2.465 46 V HA 0.406 4.526 4.120 0.000 0.000 0.279 46 V C 0.201 176.314 176.094 0.032 0.000 1.045 46 V CA -0.466 61.849 62.300 0.026 0.000 0.938 46 V CB 1.429 33.268 31.823 0.027 0.000 0.986 46 V HN 0.552 nan 8.190 nan 0.000 0.467 47 L N 4.313 125.560 121.223 0.039 0.000 2.305 47 L HA 0.547 4.887 4.340 0.000 0.000 0.284 47 L C 0.103 177.003 176.870 0.049 0.000 1.013 47 L CA -0.265 54.602 54.840 0.044 0.000 0.819 47 L CB 1.735 43.825 42.059 0.052 0.000 1.227 47 L HN 0.706 nan 8.230 nan 0.000 0.417 48 E N 3.174 123.402 120.200 0.048 0.000 2.109 48 E HA 0.312 4.663 4.350 0.000 0.000 0.278 48 E C -0.850 175.769 176.600 0.031 0.000 0.954 48 E CA -0.760 55.669 56.400 0.047 0.000 0.779 48 E CB 1.630 31.372 29.700 0.071 0.000 1.093 48 E HN 0.323 nan 8.360 nan 0.000 0.401 49 V N 3.979 123.906 119.914 0.023 0.000 2.694 49 V HA 0.046 4.166 4.120 0.000 0.000 0.306 49 V C 0.964 177.058 176.094 -0.001 0.000 1.054 49 V CA 1.114 63.431 62.300 0.028 0.000 1.161 49 V CB 0.946 32.791 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 0.467 52.497 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 0.935 nan 8.150 nan 0.000 0.480 51 Q N -1.182 118.636 119.800 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 -0.744 55.070 55.803 0.018 0.000 0.813 51 Q CB 0.436 29.176 28.738 0.004 0.000 1.477 51 Q HN 0.492 nan 8.270 nan 0.000 0.393 52 H N 1.562 120.623 119.070 -0.014 0.000 2.690 52 H HA 0.294 4.850 4.556 0.000 0.000 0.289 52 H C 0.462 175.789 175.328 -0.001 0.000 1.089 52 H CA -0.509 55.534 56.048 -0.009 0.000 1.299 52 H CB 1.017 30.769 29.762 -0.017 0.000 1.405 52 H HN 0.426 nan 8.280 nan 0.000 0.463 53 L N 2.979 124.271 121.223 0.116 0.000 2.622 53 L HA 0.094 4.435 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 0.426 55.305 54.840 0.066 0.000 0.866 53 L CB -0.385 41.702 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 0.096 175.006 174.900 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 -1.092 119.114 120.200 0.009 0.000 2.553 55 E HA -0.188 4.162 4.350 0.000 0.000 0.264 55 E C 0.987 177.590 176.600 0.004 0.000 1.068 55 E CA 1.196 57.600 56.400 0.007 0.000 0.774 55 E CB -1.479 28.226 29.700 0.009 0.000 1.349 55 E HN 2.000 nan 8.360 nan 0.000 0.404 56 S N -1.500 114.194 115.700 -0.009 0.000 3.473 56 S HA -0.223 4.247 4.470 0.000 0.000 0.339 56 S C 0.134 174.744 174.600 0.018 0.000 1.148 56 S CA 1.542 59.737 58.200 -0.009 0.000 0.969 56 S CB -0.817 62.395 63.200 0.020 0.000 0.936 56 S HN 0.459 nan 8.310 nan 0.000 0.530 57 T N 1.177 115.735 114.554 0.007 0.000 2.888 57 T HA 0.653 5.003 4.350 0.000 0.000 0.284 57 T C 0.124 174.840 174.700 0.027 0.000 1.017 57 T CA -0.356 61.767 62.100 0.037 0.000 1.022 57 T CB 1.921 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 0.775 120.731 119.914 0.070 0.000 2.604 58 V HA 0.753 4.873 4.120 0.000 0.000 0.305 58 V C -0.379 175.769 176.094 0.090 0.000 1.043 58 V CA -1.345 61.006 62.300 0.084 0.000 0.888 58 V CB 1.631 33.501 31.823 0.078 0.000 0.995 58 V HN 0.885 nan 8.190 nan 0.000 0.429 59 R N 2.884 123.435 120.500 0.085 0.000 2.312 59 R HA 0.761 5.101 4.340 0.000 0.000 0.311 59 R C -0.043 176.290 176.300 0.056 0.000 1.004 59 R CA 0.398 56.533 56.100 0.058 0.000 0.902 59 R CB 1.537 31.863 30.300 0.043 0.000 1.073 59 R HN 1.153 nan 8.270 nan 0.000 0.457 60 T N 1.232 115.815 114.554 0.048 0.000 2.907 60 T HA 0.531 4.882 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 70.044 68.868 0.058 0.000 1.184 60 T HN 0.475 nan 8.240 nan 0.000 0.522 61 I N 1.844 122.430 120.570 0.028 0.000 2.382 61 I HA 0.543 4.713 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 -1.198 60.114 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 0.977 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 0.936 178.531 177.584 0.020 0.000 1.070 62 A CA 0.057 52.105 52.037 0.019 0.000 0.770 62 A CB 0.329 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 0.560 120.174 119.600 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 0.537 55.851 55.300 0.023 0.000 1.019 63 M CB -0.907 31.710 32.600 0.029 0.000 1.485 63 M HN 0.766 nan 8.290 nan 0.000 0.484 64 D N -0.946 119.462 120.400 0.014 0.000 2.643 64 D HA 0.437 5.078 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 1.653 42.459 40.800 0.011 0.000 1.382 64 D HN 0.124 nan 8.370 nan 0.000 0.444 65 G N -0.572 108.232 108.800 0.006 0.000 2.368 65 G HA2 0.241 4.201 3.960 0.000 0.000 0.233 65 G HA3 0.241 4.201 3.960 0.000 0.000 0.233 65 G C 0.890 175.792 174.900 0.003 0.000 1.267 65 G CA 0.731 45.833 45.100 0.003 0.000 0.873 65 G HN 0.406 nan 8.290 nan 0.000 0.539 66 T N -1.032 113.523 114.554 0.002 0.000 3.105 66 T HA 0.199 4.549 4.350 0.000 0.000 0.253 66 T C 0.441 175.140 174.700 -0.001 0.000 1.047 66 T CA -0.170 61.931 62.100 0.001 0.000 0.944 66 T CB -0.017 68.852 68.868 0.001 0.000 1.016 66 T HN 0.585 nan 8.240 nan 0.000 0.544 67 E N 1.371 121.570 120.200 -0.001 0.000 2.413 67 E HA 0.460 4.810 4.350 0.000 0.000 0.263 67 E C 1.439 178.037 176.600 -0.003 0.000 1.015 67 E CA 0.482 56.880 56.400 -0.002 0.000 0.916 67 E CB -0.302 29.397 29.700 -0.002 0.000 0.947 67 E HN 0.264 nan 8.360 nan 0.000 0.440 68 G N 1.629 110.427 108.800 -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 0.227 175.123 174.900 -0.007 0.000 1.021 68 G CA -0.022 45.075 45.100 -0.005 0.000 0.619 68 G HN 0.418 nan 8.290 nan 0.000 0.510 69 L N 0.829 122.048 121.223 -0.007 0.000 2.492 69 L HA 0.433 4.773 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 0.073 54.907 54.840 -0.009 0.000 0.831 69 L CB 0.683 42.737 42.059 -0.008 0.000 1.100 69 L HN 0.085 nan 8.230 nan 0.000 0.505 70 V N 1.497 121.401 119.914 -0.015 0.000 2.841 70 V HA 0.375 4.495 4.120 0.000 0.000 0.310 70 V C -0.060 176.021 176.094 -0.022 0.000 1.090 70 V CA -0.970 61.320 62.300 -0.017 0.000 0.930 70 V CB 1.964 33.777 31.823 -0.017 0.000 1.014 70 V HN 0.659 nan 8.190 nan 0.000 0.425 71 R N 1.811 122.299 120.500 -0.020 0.000 2.698 71 R HA 0.411 4.751 4.340 0.000 0.000 0.266 71 R C 1.387 177.668 176.300 -0.031 0.000 1.026 71 R CA 1.087 57.172 56.100 -0.025 0.000 1.102 71 R CB 0.093 30.381 30.300 -0.021 0.000 0.978 71 R HN 1.269 nan 8.270 nan 0.000 0.436 72 G N 0.875 109.650 108.800 -0.041 0.000 2.205 72 G HA2 -0.370 3.591 3.960 0.000 0.000 0.261 72 G HA3 -0.370 3.591 3.960 0.000 0.000 0.261 72 G C 0.212 175.078 174.900 -0.057 0.000 0.980 72 G CA 0.405 45.475 45.100 -0.050 0.000 0.632 72 G HN 0.624 nan 8.290 nan 0.000 0.533 73 Q N 1.051 120.820 119.800 -0.051 0.000 2.395 73 Q HA 0.393 4.734 4.340 0.000 0.000 0.271 73 Q C 0.345 176.302 176.000 -0.073 0.000 1.026 73 Q CA 0.059 55.831 55.803 -0.051 0.000 0.900 73 Q CB 0.390 29.105 28.738 -0.038 0.000 1.266 73 Q HN 0.318 nan 8.270 nan 0.000 0.430 74 K N 2.264 122.621 120.400 -0.070 0.000 2.249 74 K HA 0.338 4.659 4.320 0.000 0.000 0.280 74 K C -0.997 175.555 176.600 -0.080 0.000 1.033 74 K CA -0.410 55.822 56.287 -0.093 0.000 0.946 74 K CB 1.399 33.855 32.500 -0.073 0.000 1.005 74 K HN 0.379 nan 8.250 nan 0.000 0.469 75 V N 3.486 123.330 119.914 -0.116 0.000 2.656 75 V HA 0.346 4.466 4.120 0.000 0.000 0.307 75 V C -0.804 175.276 176.094 -0.023 0.000 1.051 75 V CA -1.054 61.208 62.300 -0.062 0.000 0.893 75 V CB 1.916 33.707 31.823 -0.055 0.000 0.999 75 V HN 0.554 nan 8.190 nan 0.000 0.426 76 L N 3.222 124.482 121.223 0.062 0.000 2.305 76 L HA 0.560 4.900 4.340 0.000 0.000 0.284 76 L C -0.185 176.782 176.870 0.163 0.000 1.013 76 L CA -0.138 54.770 54.840 0.113 0.000 0.819 76 L CB 1.527 43.618 42.059 0.052 0.000 1.227 76 L HN 0.717 nan 8.230 nan 0.000 0.417 77 D N 1.745 122.281 120.400 0.227 0.000 2.412 77 D HA -0.035 4.605 4.640 0.000 0.000 0.257 77 D C 1.181 177.508 176.300 0.045 0.000 1.217 77 D CA 0.691 54.753 54.000 0.103 0.000 0.897 77 D CB 1.216 42.015 40.800 -0.002 0.000 1.132 77 D HN 0.605 nan 8.370 nan 0.000 0.493 78 S N 2.894 118.610 115.700 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 0.757 58.961 58.200 0.006 0.000 0.944 78 S CB -0.245 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 0.355 109.147 108.800 -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 1.561 nan 8.290 nan 0.000 0.527 80 A N -0.504 122.309 122.820 -0.012 0.000 2.533 80 A HA 0.962 5.283 4.320 0.000 0.000 0.293 80 A C -3.057 174.533 177.584 0.011 0.000 1.228 80 A CA -0.691 51.345 52.037 -0.002 0.000 0.689 80 A CB 1.115 20.116 19.000 0.002 0.000 1.303 80 A HN 0.156 nan 8.150 nan 0.000 0.444 81 P HA 0.426 nan 4.420 nan 0.000 0.278 81 P C -0.432 176.917 177.300 0.081 0.000 1.258 81 P CA -0.426 62.717 63.100 0.071 0.000 0.811 81 P CB 0.254 32.029 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 4.051 4.170 0.000 0.000 0.299 82 I C 1.141 177.298 176.117 0.066 0.000 1.221 82 I CA 1.081 62.424 61.300 0.072 0.000 1.424 82 I CB -0.254 37.788 38.000 0.069 0.000 1.358 82 I HN 0.184 nan 8.210 nan 0.000 0.551 83 R N 7.068 127.601 120.500 0.055 0.000 2.637 83 R HA 0.755 5.096 4.340 0.000 0.000 0.291 83 R C -0.708 175.686 176.300 0.156 0.000 0.963 83 R CA -0.782 55.372 56.100 0.090 0.000 0.901 83 R CB 2.212 32.553 30.300 0.070 0.000 1.160 83 R HN 0.598 nan 8.270 nan 0.000 0.457 84 I N -1.387 119.305 120.570 0.203 0.000 2.865 84 I HA 0.579 4.749 4.170 0.000 0.000 0.302 84 I C -2.685 173.506 176.117 0.122 0.000 1.140 84 I CA -3.317 58.113 61.300 0.218 0.000 1.021 84 I CB 2.457 40.490 38.000 0.056 0.000 1.233 84 I HN 0.316 nan 8.210 nan 0.000 0.427 85 P HA 0.098 nan 4.420 nan 0.000 0.262 85 P C -0.612 176.403 177.300 -0.476 0.000 1.199 85 P CA 0.035 62.750 63.100 -0.642 0.000 0.763 85 P CB 0.526 32.012 31.700 -0.357 0.000 0.790 86 V N 1.327 120.862 119.914 -0.631 0.000 2.823 86 V HA 1.030 5.150 4.120 0.000 0.000 0.312 86 V C 0.000 175.505 176.094 -0.982 0.000 1.072 86 V CA -0.151 61.734 62.300 -0.692 0.000 0.937 86 V CB 1.684 33.146 31.823 -0.601 0.000 1.013 86 V HN 0.880 nan 8.190 nan 0.000 0.430 87 G N 3.763 111.853 108.800 -1.184 0.000 2.369 87 G HA2 0.258 4.219 3.960 0.000 0.000 0.295 87 G HA3 0.258 4.219 3.960 0.000 0.000 0.295 87 G C -2.889 171.868 174.900 -0.238 0.000 1.298 87 G CA 0.075 44.611 45.100 -0.941 0.000 0.940 87 G HN 0.608 nan 8.290 nan 0.000 0.536 88 P HA 0.071 nan 4.420 nan 0.000 0.229 88 P C 1.151 178.459 177.300 0.013 0.000 1.160 88 P CA 1.218 64.403 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 -0.122 120.052 120.200 -0.044 0.000 2.511 89 E HA -0.044 4.306 4.350 0.000 0.000 0.196 89 E C 1.142 177.713 176.600 -0.049 0.000 1.066 89 E CA 0.967 57.337 56.400 -0.049 0.000 0.871 89 E CB -1.351 28.310 29.700 -0.065 0.000 0.863 89 E HN 0.376 nan 8.360 nan 0.000 0.520 90 T N -1.824 112.704 114.554 -0.043 0.000 3.044 90 T HA 0.181 4.531 4.350 0.000 0.000 0.250 90 T C 1.045 175.761 174.700 0.027 0.000 1.081 90 T CA -0.356 61.730 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 2.204 123.436 121.223 0.016 0.000 2.534 91 L HA 0.415 4.755 4.340 0.000 0.000 0.271 91 L C 1.585 178.462 176.870 0.011 0.000 1.178 91 L CA 1.031 55.856 54.840 -0.023 0.000 0.907 91 L CB 0.143 42.112 42.059 -0.150 0.000 1.164 91 L HN 0.607 nan 8.230 nan 0.000 0.482 92 G N 2.256 111.084 108.800 0.046 0.000 2.176 92 G HA2 -0.209 3.751 3.960 0.000 0.000 0.253 92 G HA3 -0.209 3.751 3.960 0.000 0.000 0.253 92 G C 0.251 175.217 174.900 0.109 0.000 0.979 92 G CA -0.402 44.743 45.100 0.075 0.000 0.641 92 G HN 0.459 nan 8.290 nan 0.000 0.530 93 R N -0.301 120.248 120.500 0.081 0.000 2.732 93 R HA 0.749 5.089 4.340 0.000 0.000 0.278 93 R C 0.205 176.533 176.300 0.046 0.000 0.976 93 R CA -1.013 55.124 56.100 0.060 0.000 0.963 93 R CB 1.049 31.365 30.300 0.027 0.000 1.150 93 R HN 0.278 nan 8.270 nan 0.000 0.478 94 I N 2.878 123.437 120.570 -0.017 0.000 2.377 94 I HA 0.441 4.611 4.170 0.000 0.000 0.293 94 I C 0.512 176.632 176.117 0.005 0.000 0.987 94 I CA -0.463 60.822 61.300 -0.025 0.000 1.185 94 I CB 1.466 39.346 38.000 -0.200 0.000 1.341 94 I HN 0.329 nan 8.210 nan 0.000 0.455 95 M N 5.183 124.815 119.600 0.052 0.000 2.631 95 M HA 0.519 4.999 4.480 0.000 0.000 0.288 95 M C -1.410 174.925 176.300 0.057 0.000 1.260 95 M CA -0.630 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 0.584 119.310 118.700 0.044 0.000 2.347 96 N HA 0.249 4.990 4.740 0.000 0.000 0.253 96 N C 1.036 176.567 175.510 0.036 0.000 1.274 96 N CA -0.188 52.889 53.050 0.044 0.000 0.941 96 N CB 1.145 39.651 38.487 0.032 0.000 1.200 96 N HN 0.585 nan 8.380 nan 0.000 0.514 97 V N 0.703 120.637 119.914 0.034 0.000 2.343 97 V HA -0.194 3.927 4.120 0.000 0.000 0.247 97 V C 1.735 177.840 176.094 0.019 0.000 1.051 97 V CA 1.635 63.948 62.300 0.022 0.000 1.036 97 V CB -0.796 31.042 31.823 0.025 0.000 0.654 97 V HN 0.753 nan 8.190 nan 0.000 0.451 98 I N -0.714 119.872 120.570 0.026 0.000 3.752 98 I HA 0.541 4.712 4.170 0.000 0.000 0.313 98 I C 1.336 177.477 176.117 0.040 0.000 1.304 98 I CA 0.564 61.882 61.300 0.030 0.000 1.171 98 I CB -0.764 37.252 38.000 0.027 0.000 1.038 98 I HN 0.322 nan 8.210 nan 0.000 0.427 99 G N 1.223 110.046 108.800 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 -0.118 174.816 174.900 0.056 0.000 0.997 99 G CA 0.425 45.555 45.100 0.051 0.000 0.708 99 G HN 0.731 nan 8.290 nan 0.000 0.520 100 E N 1.275 121.500 120.200 0.041 0.000 2.266 100 E HA 0.418 4.768 4.350 0.000 0.000 0.277 100 E C -2.289 174.326 176.600 0.024 0.000 1.018 100 E CA -2.164 54.258 56.400 0.037 0.000 0.840 100 E CB 1.366 31.082 29.700 0.026 0.000 1.082 100 E HN 0.182 nan 8.360 nan 0.000 0.395 101 P HA -0.001 nan 4.420 nan 0.000 0.269 101 P C 0.171 177.466 177.300 -0.008 0.000 1.209 101 P CA 0.412 63.515 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 -1.390 119.161 120.570 -0.031 0.000 3.597 102 I HA 0.271 4.441 4.170 0.000 0.000 0.323 102 I C -0.071 175.988 176.117 -0.097 0.000 1.535 102 I CA -0.328 60.942 61.300 -0.050 0.000 1.028 102 I CB 0.291 38.263 38.000 -0.047 0.000 1.354 102 I HN 0.039 nan 8.210 nan 0.000 0.544 103 D N 0.276 120.623 120.400 -0.088 0.000 2.440 103 D HA 0.057 4.697 4.640 0.000 0.000 0.216 103 D C 0.368 176.653 176.300 -0.025 0.000 1.150 103 D CA -0.261 53.671 54.000 -0.114 0.000 0.832 103 D CB -0.002 40.713 40.800 -0.142 0.000 0.992 103 D HN 0.444 nan 8.370 nan 0.000 0.502 104 E N 0.158 120.349 120.200 -0.015 0.000 2.328 104 E HA -0.257 4.094 4.350 0.000 0.000 0.233 104 E C 0.051 176.662 176.600 0.019 0.000 1.219 104 E CA 0.286 56.690 56.400 0.006 0.000 0.717 104 E CB -0.890 28.817 29.700 0.012 0.000 1.210 104 E HN 0.394 nan 8.360 nan 0.000 0.381 105 R N -0.297 120.214 120.500 0.019 0.000 2.662 105 R HA 0.292 4.632 4.340 0.000 0.000 0.396 105 R C 0.617 176.929 176.300 0.021 0.000 1.096 105 R CA 0.257 56.373 56.100 0.027 0.000 1.081 105 R CB 1.245 31.569 30.300 0.040 0.000 1.382 105 R HN 0.323 nan 8.270 nan 0.000 0.580 106 G N 1.907 110.717 108.800 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 -2.777 172.134 174.900 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 0.524 nan 4.420 nan 0.000 0.274 107 P C 0.001 177.314 177.300 0.023 0.000 1.231 107 P CA -0.435 62.682 63.100 0.030 0.000 0.790 107 P CB 0.538 32.261 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 4.324 4.170 0.000 0.000 0.293 108 I C 0.756 176.867 176.117 -0.010 0.000 1.085 108 I CA -0.053 61.243 61.300 -0.006 0.000 1.257 108 I CB -0.020 37.965 38.000 -0.025 0.000 1.430 108 I HN 0.058 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 -0.077 176.483 176.600 -0.067 0.000 1.105 109 K CA -0.319 55.962 56.287 -0.011 0.000 0.931 109 K CB 0.607 33.113 32.500 0.009 0.000 1.296 109 K HN 0.606 nan 8.250 nan 0.000 0.446 110 T N -1.046 113.423 114.554 -0.141 0.000 2.918 110 T HA 0.313 4.663 4.350 0.000 0.000 0.286 110 T C 0.934 175.522 174.700 -0.186 0.000 1.026 110 T CA -1.033 60.916 62.100 -0.252 0.000 1.031 110 T CB 2.033 70.585 68.868 -0.526 0.000 1.046 110 T HN 0.284 nan 8.240 nan 0.000 0.479 111 K N 0.555 120.858 120.400 -0.163 0.000 2.044 111 K HA 0.014 4.335 4.320 0.000 0.000 0.204 111 K C 0.364 176.923 176.600 -0.069 0.000 1.049 111 K CA 1.001 57.246 56.287 -0.070 0.000 0.945 111 K CB -0.040 32.438 32.500 -0.038 0.000 0.724 111 K HN 0.592 nan 8.250 nan 0.000 0.440 112 Q N -0.479 119.203 119.800 -0.197 0.000 2.297 112 Q HA 0.469 4.810 4.340 0.000 0.000 0.269 112 Q C -1.049 174.672 176.000 -0.464 0.000 1.051 112 Q CA -0.494 55.213 55.803 -0.159 0.000 0.869 112 Q CB 1.102 29.778 28.738 -0.104 0.000 1.346 112 Q HN -0.049 nan 8.270 nan 0.000 0.457 113 F N 0.156 120.061 119.950 -0.075 0.000 2.540 113 F HA 0.780 5.307 4.527 0.000 0.000 0.317 113 F C -0.392 175.375 175.800 -0.055 0.000 1.104 113 F CA -0.831 57.125 58.000 -0.073 0.000 0.913 113 F CB 1.990 40.962 39.000 -0.046 0.000 1.170 113 F HN 0.629 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 -0.969 176.653 177.584 0.063 0.000 1.117 114 A CA -0.701 51.364 52.037 0.046 0.000 0.785 114 A CB 1.031 20.026 19.000 -0.009 0.000 1.254 114 A HN 0.905 nan 8.150 nan 0.000 0.453 115 A N 1.286 124.140 122.820 0.057 0.000 2.331 115 A HA 0.510 4.830 4.320 0.000 0.000 0.283 115 A C 1.053 178.653 177.584 0.026 0.000 1.142 115 A CA -0.140 51.933 52.037 0.060 0.000 0.812 115 A CB -0.135 18.912 19.000 0.077 0.000 1.074 115 A HN 1.543 nan 8.150 nan 0.000 0.497 116 I N -0.605 119.959 120.570 -0.010 0.000 2.916 116 I HA -0.016 4.155 4.170 0.000 0.000 0.267 116 I C -0.125 175.857 176.117 -0.224 0.000 1.263 116 I CA 0.761 61.983 61.300 -0.130 0.000 1.471 116 I CB -0.366 37.517 38.000 -0.195 0.000 1.089 116 I HN 0.478 nan 8.210 nan 0.000 0.468 117 H N 2.403 121.477 119.070 0.007 0.000 2.581 117 H HA 0.755 5.311 4.556 0.000 0.000 0.308 117 H C -0.438 174.891 175.328 0.002 0.000 1.040 117 H CA -0.261 55.790 56.048 0.005 0.000 1.231 117 H CB 1.533 31.300 29.762 0.008 0.000 1.396 117 H HN 0.392 nan 8.280 nan 0.000 0.467 118 A N 3.410 126.284 122.820 0.089 0.000 2.485 118 A HA 0.476 4.796 4.320 0.000 0.000 0.292 118 A C -0.219 177.390 177.584 0.043 0.000 1.147 118 A CA -0.861 51.206 52.037 0.051 0.000 0.750 118 A CB 1.983 20.995 19.000 0.019 0.000 1.331 118 A HN 0.634 nan 8.150 nan 0.000 0.419 119 E N 0.070 120.288 120.200 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 -0.553 55.863 56.400 0.026 0.000 0.900 119 E CB 1.717 31.432 29.700 0.024 0.000 1.123 119 E HN 0.773 nan 8.360 nan 0.000 0.418 120 A N 2.300 125.131 122.820 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 -0.385 18.625 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 -0.146 177.170 177.300 0.027 0.000 1.179 121 P CA 0.229 63.334 63.100 0.007 0.000 0.763 121 P CB 0.362 32.057 31.700 -0.009 0.000 0.806 122 E N 1.359 121.580 120.200 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 -0.360 56.085 56.400 0.074 0.000 0.919 122 E CB 0.156 29.899 29.700 0.071 0.000 1.025 122 E HN 0.380 nan 8.360 nan 0.000 0.438 123 F N 2.030 121.979 119.950 -0.001 0.000 2.065 123 F HA -0.279 4.248 4.527 0.000 0.000 0.298 123 F C 2.016 177.815 175.800 -0.002 0.000 1.112 123 F CA 2.267 60.266 58.000 -0.001 0.000 1.212 123 F CB -0.476 38.523 39.000 -0.001 0.000 0.975 123 F HN 0.293 nan 8.300 nan 0.000 0.476 124 V N -1.500 118.468 119.914 0.092 0.000 2.828 124 V HA -0.229 3.891 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 2.085 64.381 62.300 -0.007 0.000 1.123 124 V CB -1.209 30.653 31.823 0.065 0.000 0.704 124 V HN 0.536 nan 8.190 nan 0.000 0.493 125 E N -0.322 119.840 120.200 -0.063 0.000 2.442 125 E HA 0.129 4.479 4.350 0.000 0.000 0.195 125 E C 0.720 177.261 176.600 -0.098 0.000 1.030 125 E CA -0.162 56.201 56.400 -0.061 0.000 0.869 125 E CB -0.098 29.584 29.700 -0.030 0.000 0.857 125 E HN 0.457 nan 8.360 nan 0.000 0.505 126 M N 1.186 120.687 119.600 -0.166 0.000 2.219 126 M HA 0.056 4.537 4.480 0.000 0.000 0.307 126 M C 0.512 176.720 176.300 -0.155 0.000 1.116 126 M CA 0.186 55.378 55.300 -0.179 0.000 1.181 126 M CB 0.559 32.989 32.600 -0.284 0.000 1.410 126 M HN -0.115 nan 8.290 nan 0.000 0.454 127 S N 0.358 115.987 115.700 -0.118 0.000 2.600 127 S HA 0.784 5.254 4.470 0.000 0.000 0.300 127 S C -0.145 174.406 174.600 -0.082 0.000 1.087 127 S CA -0.501 57.646 58.200 -0.088 0.000 0.965 127 S CB 1.415 64.578 63.200 -0.061 0.000 1.089 127 S HN 0.727 nan 8.310 nan 0.000 0.496 128 V N -0.362 119.514 119.914 -0.064 0.000 3.265 128 V HA 0.542 4.662 4.120 0.000 0.000 0.346 128 V C -0.390 175.685 176.094 -0.032 0.000 1.447 128 V CA -0.541 61.729 62.300 -0.050 0.000 1.179 128 V CB 0.099 31.890 31.823 -0.054 0.000 1.103 128 V HN 0.665 nan 8.190 nan 0.000 0.530 129 E N 2.350 122.533 120.200 -0.028 0.000 2.338 129 E HA 0.414 4.764 4.350 0.000 0.000 0.272 129 E C -0.429 176.164 176.600 -0.010 0.000 1.029 129 E CA 0.220 56.610 56.400 -0.017 0.000 0.872 129 E CB 1.173 30.864 29.700 -0.016 0.000 1.015 129 E HN 0.618 nan 8.360 nan 0.000 0.417 130 Q N 2.337 122.136 119.800 -0.003 0.000 2.401 130 Q HA 0.304 4.644 4.340 0.000 0.000 0.260 130 Q C -0.561 175.447 176.000 0.014 0.000 1.034 130 Q CA -0.259 55.547 55.803 0.005 0.000 0.737 130 Q CB 1.808 30.549 28.738 0.005 0.000 1.227 130 Q HN 0.428 nan 8.270 nan 0.000 0.488 131 E N 2.604 122.816 120.200 0.019 0.000 2.183 131 E HA 0.396 4.746 4.350 0.000 0.000 0.271 131 E C -0.830 175.795 176.600 0.043 0.000 0.919 131 E CA -0.661 55.756 56.400 0.028 0.000 0.781 131 E CB 1.874 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 0.081 4.251 4.170 0.000 0.000 0.284 132 I C -0.893 175.268 176.117 0.074 0.000 1.124 132 I CA -0.328 61.013 61.300 0.070 0.000 1.417 132 I CB 0.507 38.556 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 0.395 4.735 4.340 0.000 0.000 0.278 133 L C -0.836 176.078 176.870 0.073 0.000 1.022 133 L CA -0.317 54.579 54.840 0.094 0.000 0.854 133 L CB 1.119 43.256 42.059 0.130 0.000 1.226 133 L HN 0.346 nan 8.230 nan 0.000 0.429 134 V N 4.111 124.056 119.914 0.052 0.000 2.614 134 V HA 0.231 4.352 4.120 0.000 0.000 0.291 134 V C 1.378 177.476 176.094 0.008 0.000 1.049 134 V CA 0.597 62.910 62.300 0.022 0.000 1.038 134 V CB 1.046 32.886 31.823 0.028 0.000 0.980 134 V HN 0.923 nan 8.190 nan 0.000 0.481 135 T N -0.526 114.005 114.554 -0.038 0.000 2.971 135 T HA 0.325 4.675 4.350 0.000 0.000 0.252 135 T C 1.329 176.006 174.700 -0.039 0.000 1.022 135 T CA 0.784 62.860 62.100 -0.039 0.000 0.980 135 T CB 0.633 69.433 68.868 -0.112 0.000 1.044 135 T HN 1.524 nan 8.240 nan 0.000 0.501 136 G N 1.798 110.580 108.800 -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 0.008 174.905 174.900 -0.005 0.000 0.982 136 G CA 0.016 45.108 45.100 -0.014 0.000 0.641 136 G HN 0.599 nan 8.290 nan 0.000 0.527 137 I N 1.482 122.040 120.570 -0.020 0.000 2.312 137 I HA 0.203 4.374 4.170 0.000 0.000 0.291 137 I C 1.613 177.735 176.117 0.008 0.000 1.031 137 I CA -0.349 60.972 61.300 0.035 0.000 1.293 137 I CB 1.090 39.104 38.000 0.023 0.000 1.403 137 I HN 0.085 nan 8.210 nan 0.000 0.484 138 K N 4.078 124.485 120.400 0.012 0.000 1.987 138 K HA -0.161 4.159 4.320 0.000 0.000 0.216 138 K C 1.834 178.433 176.600 -0.002 0.000 1.051 138 K CA 1.614 57.905 56.287 0.006 0.000 0.942 138 K CB -0.217 32.255 32.500 -0.046 0.000 0.722 138 K HN 0.570 nan 8.250 nan 0.000 0.444 139 V N 0.859 120.766 119.914 -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 1.751 64.025 62.300 -0.043 0.000 1.032 139 V CB -0.894 30.924 31.823 -0.008 0.000 0.645 139 V HN 0.087 nan 8.190 nan 0.000 0.447 140 V N 0.623 120.505 119.914 -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 2.501 64.719 62.300 -0.138 0.000 1.000 140 V CB -0.787 30.855 31.823 -0.303 0.000 0.635 140 V HN 0.516 nan 8.190 nan 0.000 0.445 141 D N -0.202 120.133 120.400 -0.108 0.000 2.126 141 D HA -0.199 4.441 4.640 0.000 0.000 0.190 141 D C 1.909 178.268 176.300 0.097 0.000 1.001 141 D CA 1.669 55.656 54.000 -0.022 0.000 0.841 141 D CB -0.459 40.328 40.800 -0.022 0.000 0.949 141 D HN 0.329 nan 8.370 nan 0.000 0.446 142 L N 0.157 121.407 121.223 0.046 0.000 1.988 142 L HA -0.086 4.254 4.340 0.000 0.000 0.207 142 L C 2.138 179.085 176.870 0.128 0.000 1.071 142 L CA 1.608 56.506 54.840 0.097 0.000 0.744 142 L CB -0.480 41.506 42.059 -0.121 0.000 0.893 142 L HN 0.027 nan 8.230 nan 0.000 0.433 143 L N -1.080 120.133 121.223 -0.018 0.000 2.298 143 L HA 0.241 4.581 4.340 0.000 0.000 0.209 143 L C 0.970 177.825 176.870 -0.024 0.000 1.084 143 L CA 0.579 55.389 54.840 -0.050 0.000 0.816 143 L CB -0.246 41.763 42.059 -0.084 0.000 0.967 143 L HN 0.329 nan 8.230 nan 0.000 0.460 144 A N 0.218 123.041 122.820 0.005 0.000 3.410 144 A HA 0.402 4.722 4.320 0.000 0.000 0.276 144 A C -2.554 175.077 177.584 0.079 0.000 0.995 144 A CA -0.944 51.125 52.037 0.052 0.000 0.934 144 A CB -0.296 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 -0.010 nan 4.420 nan 0.000 0.263 145 P C -0.506 176.903 177.300 0.182 0.000 1.175 145 P CA 0.737 63.860 63.100 0.039 0.000 0.761 145 P CB 0.427 32.161 31.700 0.057 0.000 0.794 146 Y N 1.363 121.687 120.300 0.041 0.000 2.286 146 Y HA 0.518 5.068 4.550 0.000 0.000 0.347 146 Y C 1.050 176.961 175.900 0.018 0.000 1.351 146 Y CA -1.562 56.553 58.100 0.025 0.000 1.640 146 Y CB -0.051 38.420 38.460 0.019 0.000 1.560 146 Y HN 0.450 nan 8.280 nan 0.000 0.574 147 A N 0.463 123.387 122.820 0.173 0.000 2.488 147 A HA 0.469 4.789 4.320 0.000 0.000 0.298 147 A C -0.913 176.697 177.584 0.044 0.000 1.044 147 A CA -1.158 50.931 52.037 0.087 0.000 0.693 147 A CB 0.973 20.006 19.000 0.055 0.000 1.272 147 A HN 0.644 nan 8.150 nan 0.000 0.402 148 K N 0.863 121.286 120.400 0.039 0.000 2.524 148 K HA 0.297 4.618 4.320 0.000 0.000 0.279 148 K C 1.234 177.830 176.600 -0.006 0.000 0.993 148 K CA 1.178 57.475 56.287 0.017 0.000 1.030 148 K CB 0.224 32.740 32.500 0.026 0.000 0.891 148 K HN 1.818 nan 8.250 nan 0.000 0.488 149 G N 1.886 110.669 108.800 -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 0.519 175.387 174.900 -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 -0.881 107.888 108.800 -0.053 0.000 2.557 150 G HA2 0.577 4.537 3.960 0.000 0.000 0.292 150 G HA3 0.577 4.537 3.960 0.000 0.000 0.292 150 G C -0.202 174.637 174.900 -0.101 0.000 1.237 150 G CA -0.668 44.398 45.100 -0.057 0.000 0.978 150 G HN 0.345 nan 8.290 nan 0.000 0.498 151 K N 0.163 120.508 120.400 -0.093 0.000 2.316 151 K HA 0.409 4.729 4.320 0.000 0.000 0.267 151 K C -0.727 175.780 176.600 -0.155 0.000 1.025 151 K CA -0.161 56.052 56.287 -0.123 0.000 0.896 151 K CB 1.531 33.988 32.500 -0.072 0.000 1.124 151 K HN 0.274 nan 8.250 nan 0.000 0.451 152 I N 1.104 121.517 120.570 -0.262 0.000 2.525 152 I HA 0.457 4.627 4.170 0.000 0.000 0.301 152 I C 0.471 176.428 176.117 -0.266 0.000 0.992 152 I CA -0.663 60.420 61.300 -0.361 0.000 1.162 152 I CB 2.080 39.616 38.000 -0.773 0.000 1.332 152 I HN 0.573 nan 8.210 nan 0.000 0.458 153 G N 5.714 114.409 108.800 -0.175 0.000 2.687 153 G HA2 0.686 4.646 3.960 0.000 0.000 0.301 153 G HA3 0.686 4.646 3.960 0.000 0.000 0.301 153 G C -1.204 173.646 174.900 -0.082 0.000 1.416 153 G CA -0.547 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 2.052 123.194 121.223 -0.135 0.000 2.295 154 L HA 0.455 4.795 4.340 0.000 0.000 0.281 154 L C -0.810 176.017 176.870 -0.073 0.000 1.018 154 L CA -0.653 54.199 54.840 0.020 0.000 0.841 154 L CB 0.920 43.017 42.059 0.064 0.000 1.218 154 L HN 0.318 nan 8.230 nan 0.000 0.424 155 F N 1.546 121.486 119.950 -0.018 0.000 2.410 155 F HA 0.657 5.185 4.527 0.000 0.000 0.348 155 F C 1.023 176.805 175.800 -0.029 0.000 1.106 155 F CA -0.163 57.803 58.000 -0.057 0.000 1.163 155 F CB 1.759 40.717 39.000 -0.070 0.000 1.129 155 F HN 0.441 nan 8.300 nan 0.000 0.516 156 G N 1.545 110.379 108.800 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 -0.539 174.282 174.900 -0.132 0.000 1.431 156 G CA -0.547 44.563 45.100 0.017 0.000 1.042 156 G HN 0.935 nan 8.290 nan 0.000 0.542 157 G N -0.040 108.675 108.800 -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 0.789 175.613 174.900 -0.127 0.000 1.305 157 G CA 0.318 45.246 45.100 -0.287 0.000 1.010 157 G HN 1.558 nan 8.290 nan 0.000 0.509 158 A N -1.346 121.478 122.820 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 53.248 52.037 0.259 0.000 0.758 158 A CB -0.554 18.638 19.000 0.320 0.000 0.991 158 A HN 2.573 nan 8.150 nan 0.000 0.502 159 G N 1.119 110.000 108.800 0.134 0.000 2.305 159 G HA2 -0.183 3.778 3.960 0.000 0.000 0.287 159 G HA3 -0.183 3.778 3.960 0.000 0.000 0.287 159 G C 0.485 175.434 174.900 0.082 0.000 1.036 159 G CA 0.450 45.601 45.100 0.086 0.000 0.887 159 G HN 1.316 nan 8.290 nan 0.000 0.505 160 V N -1.283 118.690 119.914 0.098 0.000 3.307 160 V HA 0.531 4.651 4.120 0.000 0.000 0.253 160 V C 2.097 178.287 176.094 0.161 0.000 1.149 160 V CA 1.535 63.907 62.300 0.120 0.000 1.112 160 V CB 0.407 32.279 31.823 0.081 0.000 0.777 160 V HN 1.752 nan 8.190 nan 0.000 0.464 161 G N -0.001 108.878 108.800 0.133 0.000 2.507 161 G HA2 -0.131 3.830 3.960 0.000 0.000 0.205 161 G HA3 -0.131 3.830 3.960 0.000 0.000 0.205 161 G C 0.729 175.725 174.900 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 0.258 120.741 120.400 0.138 0.000 2.009 162 K HA -0.069 4.251 4.320 0.000 0.000 0.210 162 K C 2.464 179.150 176.600 0.142 0.000 1.049 162 K CA 2.010 58.378 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 1.128 115.764 114.554 0.137 0.000 2.777 163 T HA -0.086 4.265 4.350 0.000 0.000 0.266 163 T C 2.076 176.854 174.700 0.130 0.000 1.040 163 T CA 1.056 63.240 62.100 0.141 0.000 1.141 163 T CB -0.168 68.780 68.868 0.133 0.000 0.868 163 T HN -0.050 nan 8.240 nan 0.000 0.444 164 V N 1.509 121.502 119.914 0.132 0.000 2.407 164 V HA -0.104 4.016 4.120 0.000 0.000 0.248 164 V C 2.368 178.568 176.094 0.178 0.000 1.055 164 V CA 1.227 63.621 62.300 0.156 0.000 1.049 164 V CB -0.574 31.347 31.823 0.163 0.000 0.662 164 V HN 0.326 nan 8.190 nan 0.000 0.455 165 L N -0.425 120.925 121.223 0.213 0.000 2.093 165 L HA -0.072 4.268 4.340 0.000 0.000 0.208 165 L C 2.096 179.021 176.870 0.092 0.000 1.085 165 L CA 1.737 56.685 54.840 0.180 0.000 0.755 165 L CB -0.476 41.735 42.059 0.254 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 -0.304 3.866 4.170 0.000 0.000 0.245 166 I C 2.256 178.372 176.117 -0.002 0.000 1.100 166 I CA 0.953 62.328 61.300 0.126 0.000 1.374 166 I CB -0.115 37.998 38.000 0.188 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 2.221 178.456 176.300 -0.108 0.000 1.069 167 M CA 1.730 56.992 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 0.728 120.842 120.200 -0.144 0.000 2.118 168 E HA -0.139 4.211 4.350 0.000 0.000 0.195 168 E C 2.049 178.520 176.600 -0.214 0.000 0.992 168 E CA 1.253 57.480 56.400 -0.289 0.000 0.804 168 E CB -0.319 28.916 29.700 -0.775 0.000 0.741 168 E HN 0.481 nan 8.360 nan 0.000 0.458 169 L N -0.175 120.975 121.223 -0.122 0.000 2.093 169 L HA -0.110 4.231 4.340 0.000 0.000 0.208 169 L C 2.437 179.315 176.870 0.014 0.000 1.085 169 L CA 0.852 55.701 54.840 0.016 0.000 0.755 169 L CB -0.307 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 0.022 120.500 120.570 -0.154 0.000 2.208 170 I HA -0.345 3.825 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 1.698 62.825 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 1.090 119.733 118.700 -0.096 0.000 2.028 171 N HA -0.206 4.534 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 1.809 54.823 53.050 -0.059 0.000 0.848 171 N CB -0.053 38.392 38.487 -0.070 0.000 1.038 171 N HN 0.129 nan 8.380 nan 0.000 0.423 172 N N -0.923 117.754 118.700 -0.038 0.000 2.364 172 N HA -0.058 4.682 4.740 0.000 0.000 0.183 172 N C 1.011 176.538 175.510 0.028 0.000 1.022 172 N CA 0.689 53.729 53.050 -0.016 0.000 0.883 172 N CB 0.173 38.632 38.487 -0.047 0.000 0.965 172 N HN 0.180 nan 8.380 nan 0.000 0.438 173 V N -0.801 119.149 119.914 0.061 0.000 3.054 173 V HA 0.258 4.378 4.120 0.000 0.000 0.227 173 V C 1.957 178.130 176.094 0.131 0.000 1.252 173 V CA 0.787 63.149 62.300 0.104 0.000 1.279 173 V CB -0.620 31.287 31.823 0.140 0.000 1.118 173 V HN 0.135 nan 8.190 nan 0.000 0.504 174 A N 0.236 123.148 122.820 0.154 0.000 1.908 174 A HA -0.232 4.088 4.320 0.000 0.000 0.218 174 A C 2.146 179.816 177.584 0.143 0.000 1.181 174 A CA 2.097 54.237 52.037 0.172 0.000 0.627 174 A CB -0.492 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 -0.600 119.847 120.400 0.078 0.000 2.074 175 K HA -0.117 4.203 4.320 0.000 0.000 0.209 175 K C 1.159 177.801 176.600 0.071 0.000 1.048 175 K CA 1.301 57.623 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 1.576 124.446 122.820 0.083 0.000 3.264 176 A HA 0.086 4.406 4.320 0.000 0.000 0.299 176 A C -0.837 176.813 177.584 0.110 0.000 1.272 176 A CA -0.385 51.694 52.037 0.070 0.000 1.030 176 A CB -0.459 18.569 19.000 0.046 0.000 1.102 176 A HN 0.289 nan 8.150 nan 0.000 0.615 177 H N -0.312 118.771 119.070 0.022 0.000 2.481 177 H HA 0.573 5.129 4.556 0.000 0.000 0.333 177 H C 0.412 175.729 175.328 -0.018 0.000 1.066 177 H CA 0.091 56.147 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 0.249 nan 8.280 nan 0.000 0.488 178 G N 3.030 111.540 108.800 -0.484 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 -0.115 174.283 174.900 -0.837 0.000 1.132 178 G CA 0.259 45.081 45.100 -0.462 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 -1.107 173.598 174.900 -0.324 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 -0.037 120.253 120.300 -0.017 0.000 2.480 180 Y HA 0.830 5.381 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 -0.852 57.207 58.100 -0.068 0.000 1.336 180 Y CB 1.760 39.924 38.460 -0.493 0.000 1.361 180 Y HN 0.619 nan 8.280 nan 0.000 0.518 181 S N -0.247 115.610 115.700 0.262 0.000 2.549 181 S HA 0.742 5.213 4.470 0.000 0.000 0.280 181 S C -1.578 173.158 174.600 0.227 0.000 1.109 181 S CA -0.789 57.552 58.200 0.235 0.000 0.905 181 S CB 2.051 65.424 63.200 0.288 0.000 1.081 181 S HN 0.272 nan 8.310 nan 0.000 0.477 182 V N 2.793 122.846 119.914 0.231 0.000 2.569 182 V HA 0.497 4.617 4.120 0.000 0.000 0.301 182 V C -1.371 174.858 176.094 0.226 0.000 1.044 182 V CA -0.613 61.810 62.300 0.205 0.000 0.874 182 V CB 1.347 33.260 31.823 0.149 0.000 1.002 182 V HN 0.848 nan 8.190 nan 0.000 0.424 183 F N 4.356 124.359 119.950 0.087 0.000 2.411 183 F HA 0.798 5.325 4.527 0.000 0.000 0.352 183 F C 0.302 176.022 175.800 -0.134 0.000 1.123 183 F CA -0.535 57.491 58.000 0.043 0.000 1.044 183 F CB 1.268 40.280 39.000 0.019 0.000 1.135 183 F HN 0.566 nan 8.300 nan 0.000 0.461 184 A N 4.725 127.230 122.820 -0.525 0.000 2.285 184 A HA 0.636 4.956 4.320 0.000 0.000 0.310 184 A C -0.074 177.199 177.584 -0.519 0.000 1.266 184 A CA -0.364 51.431 52.037 -0.404 0.000 0.832 184 A CB 0.245 19.077 19.000 -0.280 0.000 1.163 184 A HN 1.019 nan 8.150 nan 0.000 0.499 185 G N 1.485 109.994 108.800 -0.484 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 -0.541 174.340 174.900 -0.032 0.000 1.094 185 G CA -0.172 44.840 45.100 -0.146 0.000 0.953 185 G HN 0.753 nan 8.290 nan 0.000 0.420 186 V N 2.502 122.413 119.914 -0.006 0.000 2.384 186 V HA 0.629 4.749 4.120 0.000 0.000 0.287 186 V C 1.217 177.352 176.094 0.068 0.000 1.020 186 V CA 0.204 62.520 62.300 0.026 0.000 0.850 186 V CB 0.928 32.751 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 0.271 175.214 174.900 0.072 0.000 1.008 187 G CA 0.728 45.866 45.100 0.063 0.000 0.774 187 G HN 0.641 nan 8.290 nan 0.000 0.511 188 E N -0.660 119.608 120.200 0.113 0.000 3.232 188 E HA 0.455 4.805 4.350 0.000 0.000 0.248 188 E C 0.907 177.570 176.600 0.105 0.000 1.048 188 E CA -0.866 55.601 56.400 0.111 0.000 1.204 188 E CB 0.545 30.336 29.700 0.151 0.000 1.535 188 E HN 0.398 nan 8.360 nan 0.000 0.567 189 R N 0.102 120.662 120.500 0.101 0.000 2.390 189 R HA 0.208 4.548 4.340 0.000 0.000 0.291 189 R C 1.277 177.613 176.300 0.059 0.000 1.070 189 R CA 0.037 56.178 56.100 0.068 0.000 1.014 189 R CB 0.393 30.728 30.300 0.057 0.000 1.007 189 R HN 0.396 nan 8.270 nan 0.000 0.466 190 T N 2.263 116.830 114.554 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 1.597 63.675 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 1.611 122.104 120.500 -0.012 0.000 2.139 191 R HA -0.135 4.206 4.340 0.000 0.000 0.243 191 R C 1.942 178.243 176.300 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 -0.077 120.133 120.200 0.017 0.000 2.072 192 E HA -0.072 4.278 4.350 0.000 0.000 0.190 192 E C 2.037 178.633 176.600 -0.007 0.000 0.982 192 E CA 1.022 57.444 56.400 0.036 0.000 0.803 192 E CB -0.179 29.575 29.700 0.090 0.000 0.755 192 E HN 0.641 nan 8.360 nan 0.000 0.453 193 G N 1.209 109.956 108.800 -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 1.197 46.067 45.100 -0.383 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 -0.128 0.000 2.188 194 N HA -0.098 4.643 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 1.515 54.597 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 0.112 nan 8.380 nan 0.000 0.426 195 D N -0.061 120.380 120.400 0.069 0.000 2.144 195 D HA -0.136 4.504 4.640 0.000 0.000 0.199 195 D C 1.859 178.185 176.300 0.044 0.000 0.984 195 D CA 0.610 54.648 54.000 0.063 0.000 0.834 195 D CB -0.251 40.567 40.800 0.031 0.000 0.955 195 D HN 0.291 nan 8.370 nan 0.000 0.465 196 L N -0.206 121.013 121.223 -0.006 0.000 2.023 196 L HA -0.140 4.200 4.340 0.000 0.000 0.205 196 L C 2.268 179.127 176.870 -0.017 0.000 1.073 196 L CA 1.336 56.135 54.840 -0.069 0.000 0.745 196 L CB -0.794 41.141 42.059 -0.207 0.000 0.900 196 L HN -0.030 nan 8.230 nan 0.000 0.435 197 Y N 0.374 120.588 120.300 -0.143 0.000 2.053 197 Y HA -0.365 4.185 4.550 0.001 0.000 0.277 197 Y C 2.659 178.436 175.900 -0.205 0.000 1.159 197 Y CA 2.419 60.405 58.100 -0.191 0.000 1.125 197 Y CB -0.917 37.364 38.460 -0.298 0.000 0.969 197 Y HN 0.443 nan 8.280 nan 0.000 0.492 198 H N -0.739 118.254 119.070 -0.129 0.000 2.421 198 H HA -0.115 4.441 4.556 0.000 0.000 0.298 198 H C 2.270 177.502 175.328 -0.161 0.000 1.087 198 H CA 1.577 57.495 56.048 -0.217 0.000 1.330 198 H CB -0.059 29.648 29.762 -0.092 0.000 1.388 198 H HN 0.519 nan 8.280 nan 0.000 0.526 199 E N 0.105 120.304 120.200 -0.003 0.000 2.107 199 E HA -0.183 4.167 4.350 0.000 0.000 0.191 199 E C 1.946 178.507 176.600 -0.065 0.000 0.982 199 E CA 0.736 57.118 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 0.359 119.904 119.600 -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 -0.110 0.000 1.063 200 M CA 1.166 56.414 55.300 -0.087 0.000 1.119 200 M CB -0.028 32.530 32.600 -0.071 0.000 1.377 200 M HN 0.157 nan 8.290 nan 0.000 0.415 201 I N -0.488 119.966 120.570 -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 1.677 62.860 61.300 -0.194 0.000 1.343 201 I CB -0.359 37.457 38.000 -0.307 0.000 1.046 201 I HN 0.370 nan 8.210 nan 0.000 0.405 202 E N 0.410 120.562 120.200 -0.080 0.000 2.097 202 E HA -0.266 4.084 4.350 0.000 0.000 0.196 202 E C 1.973 178.550 176.600 -0.039 0.000 1.000 202 E CA 1.773 58.144 56.400 -0.048 0.000 0.804 202 E CB 0.003 29.682 29.700 -0.035 0.000 0.740 202 E HN 0.514 nan 8.360 nan 0.000 0.454 203 S N -1.317 114.359 115.700 -0.039 0.000 2.593 203 S HA 0.177 4.647 4.470 0.000 0.000 0.217 203 S C 1.342 175.929 174.600 -0.023 0.000 0.966 203 S CA 0.407 58.590 58.200 -0.027 0.000 0.914 203 S CB 0.508 63.693 63.200 -0.026 0.000 0.776 203 S HN 0.474 nan 8.310 nan 0.000 0.523 204 G N 0.970 109.751 108.800 -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 0.720 175.612 174.900 -0.015 0.000 1.008 204 G CA 0.576 45.660 45.100 -0.025 0.000 0.724 204 G HN 1.441 nan 8.290 nan 0.000 0.514 205 V N -2.598 117.307 119.914 -0.015 0.000 2.951 205 V HA 0.434 4.554 4.120 0.000 0.000 0.255 205 V C 1.103 177.201 176.094 0.008 0.000 1.088 205 V CA 0.757 63.063 62.300 0.008 0.000 1.109 205 V CB -0.027 31.810 31.823 0.023 0.000 0.724 205 V HN 0.343 nan 8.190 nan 0.000 0.471 206 I N 2.960 123.517 120.570 -0.022 0.000 2.362 206 I HA 0.514 4.684 4.170 0.000 0.000 0.289 206 I C -0.781 175.309 176.117 -0.045 0.000 0.994 206 I CA -0.054 61.230 61.300 -0.026 0.000 1.158 206 I CB 1.113 39.071 38.000 -0.069 0.000 1.315 206 I HN 0.287 nan 8.210 nan 0.000 0.451 207 N N 6.859 125.547 118.700 -0.021 0.000 2.442 207 N HA 0.360 5.100 4.740 0.000 0.000 0.274 207 N C -0.005 175.497 175.510 -0.013 0.000 1.002 207 N CA -0.442 52.595 53.050 -0.021 0.000 0.910 207 N CB 1.596 40.079 38.487 -0.008 0.000 1.244 207 N HN 0.479 nan 8.380 nan 0.000 0.492 208 L N 2.479 123.689 121.223 -0.022 0.000 2.591 208 L HA 0.212 4.552 4.340 0.000 0.000 0.228 208 L C 1.741 178.612 176.870 0.002 0.000 1.133 208 L CA 0.293 55.130 54.840 -0.005 0.000 0.880 208 L CB 0.029 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 -0.456 119.943 120.400 -0.002 0.000 2.225 209 K HA 0.207 4.527 4.320 0.000 0.000 0.204 209 K C 0.216 176.819 176.600 0.005 0.000 1.047 209 K CA 0.567 56.855 56.287 0.001 0.000 0.970 209 K CB 0.360 32.859 32.500 -0.002 0.000 0.939 209 K HN 0.161 nan 8.250 nan 0.000 0.472 210 D N -0.069 120.334 120.400 0.005 0.000 2.494 210 D HA 0.323 4.964 4.640 0.000 0.000 0.259 210 D C -0.617 175.689 176.300 0.011 0.000 1.109 210 D CA -0.607 53.398 54.000 0.008 0.000 1.040 210 D CB 0.949 41.755 40.800 0.009 0.000 1.175 210 D HN -0.033 nan 8.370 nan 0.000 0.584 211 A N 0.166 122.995 122.820 0.014 0.000 3.095 211 A HA 0.433 4.753 4.320 0.000 0.000 0.301 211 A C 0.510 178.108 177.584 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 -3.133 111.435 114.554 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 0.693 175.316 174.600 0.037 0.000 1.333 213 S CA -0.443 57.771 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 1.085 121.524 120.400 0.066 0.000 2.387 214 K HA 0.271 4.592 4.320 0.000 0.000 0.203 214 K C -0.896 175.769 176.600 0.108 0.000 1.030 214 K CA 0.094 56.461 56.287 0.133 0.000 1.099 214 K CB 0.710 33.304 32.500 0.157 0.000 0.863 214 K HN 0.372 nan 8.250 nan 0.000 0.529 215 V N 0.883 120.836 119.914 0.065 0.000 2.588 215 V HA 0.634 4.754 4.120 0.000 0.000 0.304 215 V C -0.715 175.432 176.094 0.088 0.000 1.042 215 V CA -1.376 60.982 62.300 0.096 0.000 0.877 215 V CB 1.642 33.533 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 -0.828 176.843 177.584 0.145 0.000 1.178 216 A CA -0.543 51.569 52.037 0.125 0.000 0.817 216 A CB 0.815 19.910 19.000 0.157 0.000 1.189 216 A HN 0.817 nan 8.150 nan 0.000 0.489 217 L N 2.677 123.983 121.223 0.138 0.000 2.322 217 L HA 0.657 4.997 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 -0.917 54.020 54.840 0.162 0.000 0.815 217 L CB 1.783 44.002 42.059 0.266 0.000 1.247 217 L HN 0.414 nan 8.230 nan 0.000 0.421 218 V N 2.724 122.630 119.914 -0.014 0.000 2.656 218 V HA 0.527 4.647 4.120 0.000 0.000 0.307 218 V C -1.259 174.729 176.094 -0.177 0.000 1.051 218 V CA -0.674 61.611 62.300 -0.025 0.000 0.893 218 V CB 2.062 33.857 31.823 -0.046 0.000 0.999 218 V HN 0.466 nan 8.190 nan 0.000 0.426 219 Y N 1.079 121.404 120.300 0.042 0.000 2.504 219 Y HA 0.742 5.292 4.550 0.000 0.000 0.344 219 Y C 0.448 176.365 175.900 0.028 0.000 1.023 219 Y CA -0.637 57.493 58.100 0.050 0.000 1.020 219 Y CB 2.892 41.372 38.460 0.034 0.000 1.282 219 Y HN 0.717 nan 8.280 nan 0.000 0.454 220 G N 3.238 112.155 108.800 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 -1.031 173.941 174.900 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 0.758 120.641 119.800 0.138 0.000 2.397 221 Q HA 0.298 4.639 4.340 0.000 0.000 0.193 221 Q C 1.903 177.943 176.000 0.066 0.000 1.083 221 Q CA -0.671 55.202 55.803 0.117 0.000 1.108 221 Q CB 0.647 29.456 28.738 0.118 0.000 1.172 221 Q HN 0.475 nan 8.270 nan 0.000 0.617 222 M N 0.849 120.481 119.600 0.055 0.000 2.426 222 M HA -0.224 4.257 4.480 0.000 0.000 0.261 222 M C 1.184 177.496 176.300 0.021 0.000 1.068 222 M CA 1.632 56.950 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 -0.134 175.384 175.510 0.014 0.000 1.099 223 N CA -0.237 52.821 53.050 0.015 0.000 0.867 223 N CB 0.226 38.720 38.487 0.011 0.000 0.974 223 N HN 0.151 nan 8.380 nan 0.000 0.477 224 E N 1.816 122.028 120.200 0.020 0.000 2.349 224 E HA 0.256 4.606 4.350 0.000 0.000 0.262 224 E C -2.248 174.357 176.600 0.009 0.000 1.088 224 E CA -1.987 54.423 56.400 0.017 0.000 0.899 224 E CB 0.324 30.039 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 -1.124 61.976 63.100 -0.000 0.000 0.788 225 P CB -0.088 31.612 31.700 0.001 0.000 0.949 226 P HA -0.265 nan 4.420 nan 0.000 0.217 226 P C 1.608 178.891 177.300 -0.029 0.000 1.162 226 P CA 2.370 65.452 63.100 -0.030 0.000 0.901 226 P CB -0.803 30.874 31.700 -0.039 0.000 0.793 227 G N 0.051 108.840 108.800 -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 1.820 176.724 174.900 0.007 0.000 1.136 227 G CA 1.278 46.374 45.100 -0.007 0.000 0.759 227 G HN 0.439 nan 8.290 nan 0.000 0.562 228 A N 0.464 123.290 122.820 0.011 0.000 1.898 228 A HA 0.083 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 1.510 53.560 52.037 0.022 0.000 0.620 228 A CB -0.346 18.668 19.000 0.024 0.000 0.819 228 A HN 0.329 nan 8.150 nan 0.000 0.442 229 R N -0.679 119.831 120.500 0.016 0.000 2.148 229 R HA 0.002 4.342 4.340 0.000 0.000 0.227 229 R C 2.233 178.551 176.300 0.031 0.000 1.103 229 R CA 0.960 57.073 56.100 0.022 0.000 0.983 229 R CB -0.281 30.019 30.300 -0.000 0.000 0.874 229 R HN 0.509 nan 8.270 nan 0.000 0.451 230 A N 0.421 123.235 122.820 -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 0.101 nan 8.150 nan 0.000 0.453 231 R N -0.850 119.702 120.500 0.086 0.000 2.316 231 R HA 0.073 4.413 4.340 0.000 0.000 0.201 231 R C 1.833 178.153 176.300 0.034 0.000 0.888 231 R CA 1.152 57.295 56.100 0.072 0.000 1.041 231 R CB -0.573 29.749 30.300 0.038 0.000 1.115 231 R HN 0.448 nan 8.270 nan 0.000 0.559 232 V N 0.486 120.420 119.914 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 1.988 64.288 62.300 -0.000 0.000 1.070 232 V CB -1.300 30.526 31.823 0.006 0.000 0.664 232 V HN 0.174 nan 8.190 nan 0.000 0.461 233 A N 0.926 123.726 122.820 -0.033 0.000 1.877 233 A HA -0.108 4.212 4.320 0.000 0.000 0.216 233 A C 2.268 179.759 177.584 -0.155 0.000 1.186 233 A CA 2.150 54.109 52.037 -0.130 0.000 0.620 233 A CB -0.655 18.215 19.000 -0.217 0.000 0.822 233 A HN 0.525 nan 8.150 nan 0.000 0.443 234 L N -0.609 120.534 121.223 -0.132 0.000 2.043 234 L HA -0.229 4.112 4.340 0.000 0.000 0.212 234 L C 2.792 179.580 176.870 -0.136 0.000 1.075 234 L CA 2.040 56.783 54.840 -0.162 0.000 0.752 234 L CB -1.322 40.612 42.059 -0.209 0.000 0.891 234 L HN 0.394 nan 8.230 nan 0.000 0.432 235 T N -0.359 114.133 114.554 -0.102 0.000 2.708 235 T HA -0.114 4.236 4.350 0.000 0.000 0.266 235 T C 1.830 176.483 174.700 -0.077 0.000 1.037 235 T CA 1.369 63.422 62.100 -0.078 0.000 1.146 235 T CB -0.536 68.304 68.868 -0.046 0.000 0.865 235 T HN 0.564 nan 8.240 nan 0.000 0.435 236 G N 1.537 110.285 108.800 -0.087 0.000 2.418 236 G HA2 -0.138 3.822 3.960 0.000 0.000 0.217 236 G HA3 -0.138 3.822 3.960 0.000 0.000 0.217 236 G C 1.527 176.379 174.900 -0.081 0.000 1.158 236 G CA 0.713 45.763 45.100 -0.084 0.000 0.771 236 G HN 0.384 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 2.771 57.546 54.840 -0.109 0.000 0.755 237 L CB -1.245 40.727 42.059 -0.144 0.000 0.889 237 L HN 0.205 nan 8.230 nan 0.000 0.432 238 T N -0.880 113.625 114.554 -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 -0.541 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 1.751 121.616 119.914 -0.082 0.000 2.252 239 V HA -0.261 3.859 4.120 0.000 0.000 0.249 239 V C 2.880 178.920 176.094 -0.090 0.000 1.056 239 V CA 1.956 64.185 62.300 -0.119 0.000 1.022 239 V CB -1.278 30.514 31.823 -0.053 0.000 0.641 239 V HN 0.572 nan 8.190 nan 0.000 0.445 240 A N -0.460 122.375 122.820 0.025 0.000 1.883 240 A HA -0.275 4.046 4.320 0.000 0.000 0.217 240 A C 2.134 179.759 177.584 0.069 0.000 1.186 240 A CA 2.021 54.131 52.037 0.121 0.000 0.624 240 A CB -0.579 18.459 19.000 0.064 0.000 0.822 240 A HN 0.659 nan 8.150 nan 0.000 0.444 241 E N -1.597 118.604 120.200 0.002 0.000 2.097 241 E HA -0.270 4.080 4.350 0.000 0.000 0.196 241 E C 1.848 178.435 176.600 -0.022 0.000 1.000 241 E CA 1.608 58.002 56.400 -0.010 0.000 0.804 241 E CB -0.413 29.273 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 1.908 177.699 175.900 -0.182 0.000 1.163 242 Y CA 1.794 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 0.070 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 1.757 59.779 58.000 0.036 0.000 1.293 243 F CB -0.978 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 0.504 121.075 120.500 0.118 0.000 2.070 244 R HA -0.158 4.183 4.340 0.000 0.000 0.232 244 R C 1.663 177.944 176.300 -0.032 0.000 1.138 244 R CA 2.209 58.334 56.100 0.042 0.000 0.936 244 R CB -0.343 29.971 30.300 0.023 0.000 0.839 244 R HN 0.156 nan 8.270 nan 0.000 0.429 245 D N -0.307 120.044 120.400 -0.081 0.000 2.216 245 D HA -0.060 4.580 4.640 0.000 0.000 0.208 245 D C 1.835 178.043 176.300 -0.154 0.000 0.960 245 D CA 0.710 54.652 54.000 -0.096 0.000 0.861 245 D CB 0.011 40.768 40.800 -0.073 0.000 0.985 245 D HN 0.247 nan 8.370 nan 0.000 0.493 246 Q N 0.325 119.940 119.800 -0.310 0.000 2.451 246 Q HA 0.058 4.398 4.340 0.000 0.000 0.206 246 Q C 0.555 176.362 176.000 -0.322 0.000 0.947 246 Q CA 0.597 56.160 55.803 -0.401 0.000 0.937 246 Q CB 0.541 28.761 28.738 -0.862 0.000 1.025 246 Q HN 0.498 nan 8.270 nan 0.000 0.511 247 E N -0.968 119.100 120.200 -0.221 0.000 2.743 247 E HA 0.184 4.534 4.350 0.000 0.000 0.222 247 E C 0.341 176.926 176.600 -0.025 0.000 0.959 247 E CA 0.119 56.479 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 2.362 111.137 108.800 -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 0.353 175.244 174.900 -0.015 0.000 1.003 248 G CA 0.649 45.733 45.100 -0.027 0.000 0.825 248 G HN 0.128 nan 8.290 nan 0.000 0.509 249 Q N -0.074 119.734 119.800 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 -0.054 55.748 55.803 -0.003 0.000 0.885 249 Q CB 0.742 29.522 28.738 0.070 0.000 1.241 249 Q HN 0.318 nan 8.270 nan 0.000 0.461 250 D N 1.103 121.493 120.400 -0.017 0.000 2.347 250 D HA 0.261 4.901 4.640 0.000 0.000 0.235 250 D C -0.615 175.780 176.300 0.159 0.000 1.149 250 D CA -0.107 53.927 54.000 0.058 0.000 0.850 250 D CB 0.866 41.704 40.800 0.064 0.000 1.061 250 D HN 0.063 nan 8.370 nan 0.000 0.487 251 V N 2.806 122.793 119.914 0.123 0.000 2.837 251 V HA 0.487 4.607 4.120 0.000 0.000 0.310 251 V C 0.293 176.361 176.094 -0.043 0.000 1.059 251 V CA -0.900 61.472 62.300 0.120 0.000 1.004 251 V CB 1.710 33.618 31.823 0.141 0.000 1.045 251 V HN 0.357 nan 8.190 nan 0.000 0.465 252 L N 3.286 124.444 121.223 -0.108 0.000 2.381 252 L HA 0.593 4.933 4.340 0.000 0.000 0.274 252 L C -1.298 175.437 176.870 -0.225 0.000 0.988 252 L CA -0.548 54.118 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 4.065 125.041 121.223 -0.411 0.000 2.372 253 L HA 0.579 4.920 4.340 0.000 0.000 0.273 253 L C -1.506 175.063 176.870 -0.502 0.000 0.989 253 L CA 0.132 54.792 54.840 -0.300 0.000 0.841 253 L CB 1.189 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 5.764 125.598 119.950 -0.195 0.000 2.436 254 F HA 0.660 5.188 4.527 0.000 0.000 0.340 254 F C 0.054 175.488 175.800 -0.611 0.000 1.113 254 F CA -0.447 57.365 58.000 -0.313 0.000 1.022 254 F CB 1.529 40.425 39.000 -0.173 0.000 1.128 254 F HN 0.231 nan 8.300 nan 0.000 0.466 255 I N 2.579 122.930 120.570 -0.365 0.000 2.533 255 I HA 0.320 4.490 4.170 0.000 0.000 0.290 255 I C -1.455 174.472 176.117 -0.316 0.000 1.056 255 I CA -0.639 60.402 61.300 -0.432 0.000 1.057 255 I CB 2.211 40.037 38.000 -0.291 0.000 1.240 255 I HN 0.404 nan 8.210 nan 0.000 0.423 256 D N 5.812 126.033 120.400 -0.298 0.000 2.575 256 D HA 0.293 4.933 4.640 0.000 0.000 0.250 256 D C -1.403 174.902 176.300 0.008 0.000 1.279 256 D CA -0.231 53.743 54.000 -0.044 0.000 0.925 256 D CB 1.431 42.301 40.800 0.118 0.000 1.261 256 D HN 0.459 nan 8.370 nan 0.000 0.567 257 N N 3.942 122.665 118.700 0.038 0.000 2.258 257 N HA 0.230 4.970 4.740 0.000 0.000 0.299 257 N C 0.413 175.958 175.510 0.058 0.000 1.047 257 N CA -0.466 52.623 53.050 0.064 0.000 0.814 257 N CB 1.884 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 3.364 123.942 120.570 0.012 0.000 3.291 258 I HA -0.021 4.149 4.170 0.000 0.000 0.279 258 I C 1.556 177.740 176.117 0.111 0.000 1.294 258 I CA 0.436 61.732 61.300 -0.007 0.000 1.428 258 I CB -0.267 37.651 38.000 -0.136 0.000 1.070 258 I HN 0.573 nan 8.210 nan 0.000 0.478 259 F N 1.034 121.012 119.950 0.046 0.000 2.234 259 F HA -0.144 4.383 4.527 0.000 0.000 0.299 259 F C 2.272 178.161 175.800 0.148 0.000 1.087 259 F CA 1.255 59.324 58.000 0.114 0.000 1.340 259 F CB -0.269 38.831 39.000 0.167 0.000 1.031 259 F HN -0.074 nan 8.300 nan 0.000 0.500 260 R N 0.227 120.735 120.500 0.014 0.000 2.127 260 R HA -0.210 4.130 4.340 0.000 0.000 0.238 260 R C 2.205 178.449 176.300 -0.095 0.000 1.134 260 R CA 1.587 57.633 56.100 -0.089 0.000 0.975 260 R CB -1.819 28.509 30.300 0.046 0.000 0.865 260 R HN 0.524 nan 8.270 nan 0.000 0.447 261 F N 1.744 121.600 119.950 -0.156 0.000 2.134 261 F HA -0.173 4.355 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 1.676 59.600 58.000 -0.125 0.000 1.264 261 F CB -0.410 38.525 39.000 -0.108 0.000 1.001 261 F HN -0.128 nan 8.300 nan 0.000 0.479 262 T N 0.335 114.760 114.554 -0.214 0.000 2.737 262 T HA -0.235 4.115 4.350 0.000 0.000 0.265 262 T C 1.876 176.407 174.700 -0.283 0.000 1.038 262 T CA 1.544 63.467 62.100 -0.295 0.000 1.144 262 T CB -0.440 68.371 68.868 -0.094 0.000 0.866 262 T HN 0.488 nan 8.240 nan 0.000 0.434 263 Q N 0.944 120.493 119.800 -0.419 0.000 2.061 263 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 263 Q C 2.475 178.353 176.000 -0.204 0.000 0.984 263 Q CA 1.701 57.311 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 0.574 123.260 122.820 -0.223 0.000 1.917 264 A HA -0.174 4.147 4.320 0.000 0.000 0.219 264 A C 2.301 179.774 177.584 -0.185 0.000 1.182 264 A CA 1.825 53.758 52.037 -0.173 0.000 0.633 264 A CB -1.501 17.403 19.000 -0.160 0.000 0.819 264 A HN 0.645 nan 8.150 nan 0.000 0.448 265 G N -0.234 108.400 108.800 -0.277 0.000 2.422 265 G HA2 -0.218 3.743 3.960 0.000 0.000 0.218 265 G HA3 -0.218 3.743 3.960 0.000 0.000 0.218 265 G C 1.959 176.791 174.900 -0.114 0.000 1.146 265 G CA 1.819 46.779 45.100 -0.233 0.000 0.769 265 G HN 0.946 nan 8.290 nan 0.000 0.547 266 S N 0.287 115.940 115.700 -0.079 0.000 2.447 266 S HA -0.007 4.463 4.470 0.000 0.000 0.233 266 S C 1.938 176.497 174.600 -0.068 0.000 1.006 266 S CA 1.498 59.673 58.200 -0.041 0.000 0.957 266 S CB -0.197 62.965 63.200 -0.062 0.000 0.773 266 S HN 0.578 nan 8.310 nan 0.000 0.507 267 E N 0.881 121.033 120.200 -0.080 0.000 2.072 267 E HA -0.077 4.273 4.350 0.000 0.000 0.191 267 E C 2.321 178.892 176.600 -0.049 0.000 0.985 267 E CA 1.473 57.836 56.400 -0.063 0.000 0.801 267 E CB -0.269 29.394 29.700 -0.061 0.000 0.750 267 E HN 0.651 nan 8.360 nan 0.000 0.452 268 V N -1.542 118.340 119.914 -0.053 0.000 2.878 268 V HA -0.060 4.060 4.120 0.000 0.000 0.250 268 V C 2.224 178.300 176.094 -0.030 0.000 1.075 268 V CA 1.433 63.710 62.300 -0.038 0.000 1.096 268 V CB 0.237 32.036 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 -0.033 0.000 2.381 269 S HA -0.287 4.183 4.470 0.000 0.000 0.230 269 S C 2.156 176.749 174.600 -0.012 0.000 1.052 269 S CA 2.537 60.725 58.200 -0.020 0.000 1.068 269 S CB -0.713 62.480 63.200 -0.012 0.000 0.918 269 S HN 1.107 nan 8.310 nan 0.000 0.448 270 A N 1.458 124.269 122.820 -0.015 0.000 1.877 270 A HA 0.060 4.380 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 1.499 53.530 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 -0.617 120.600 121.223 -0.010 0.000 2.081 271 L HA -0.209 4.132 4.340 0.000 0.000 0.212 271 L C 2.184 179.053 176.870 -0.003 0.000 1.080 271 L CA 1.147 55.983 54.840 -0.007 0.000 0.754 271 L CB -0.748 41.306 42.059 -0.009 0.000 0.893 271 L HN 0.366 nan 8.230 nan 0.000 0.433 272 L N 0.012 121.232 121.223 -0.005 0.000 2.622 272 L HA 0.020 4.361 4.340 0.000 0.000 0.233 272 L C 1.344 178.215 176.870 0.003 0.000 1.156 272 L CA 0.595 55.435 54.840 -0.000 0.000 0.866 272 L CB -0.706 41.351 42.059 -0.003 0.000 0.980 272 L HN 0.513 nan 8.230 nan 0.000 0.448 273 G N 0.724 109.525 108.800 0.001 0.000 2.171 273 G HA2 -0.262 3.698 3.960 0.000 0.000 0.238 273 G HA3 -0.262 3.698 3.960 0.000 0.000 0.238 273 G C 0.070 174.973 174.900 0.005 0.000 1.039 273 G CA -0.328 44.775 45.100 0.004 0.000 0.759 273 G HN 0.399 nan 8.290 nan 0.000 0.501 274 R N -0.626 119.877 120.500 0.004 0.000 2.474 274 R HA 0.630 4.970 4.340 0.000 0.000 0.295 274 R C 0.926 177.232 176.300 0.010 0.000 0.980 274 R CA -0.954 55.151 56.100 0.007 0.000 0.934 274 R CB 1.334 31.639 30.300 0.008 0.000 1.101 274 R HN 0.289 nan 8.270 nan 0.000 0.469 275 I N 4.779 125.357 120.570 0.012 0.000 2.618 275 I HA 0.051 4.222 4.170 0.000 0.000 0.284 275 I C -1.580 174.549 176.117 0.021 0.000 1.146 275 I CA -1.509 59.800 61.300 0.015 0.000 1.425 275 I CB 0.310 38.319 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 -0.362 176.966 177.300 0.047 0.000 1.237 276 P CA -0.295 62.826 63.100 0.035 0.000 0.793 276 P CB 1.350 33.065 31.700 0.025 0.000 0.977 277 S N 0.262 116.005 115.700 0.072 0.000 2.448 277 S HA 0.620 5.091 4.470 0.000 0.000 0.271 277 S C 0.001 174.659 174.600 0.096 0.000 1.145 277 S CA -0.423 57.824 58.200 0.078 0.000 1.022 277 S CB -0.062 63.192 63.200 0.089 0.000 1.202 277 S HN 0.606 nan 8.310 nan 0.000 0.479 278 A N 0.203 123.089 122.820 0.110 0.000 2.462 278 A HA 0.475 4.796 4.320 0.000 0.000 0.243 278 A C 0.758 178.453 177.584 0.185 0.000 1.076 278 A CA 0.242 52.351 52.037 0.120 0.000 0.773 278 A CB -0.531 18.535 19.000 0.109 0.000 1.010 278 A HN 1.586 nan 8.150 nan 0.000 0.493 279 V N 0.882 120.875 119.914 0.131 0.000 4.032 279 V HA -0.285 3.835 4.120 0.000 0.000 0.231 279 V C 1.680 177.771 176.094 -0.005 0.000 0.429 279 V CA 1.380 63.743 62.300 0.105 0.000 0.934 279 V CB -2.559 29.390 31.823 0.211 0.000 1.004 279 V HN 2.922 nan 8.190 nan 0.000 1.283 280 G N -2.451 106.357 108.800 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 -0.086 174.788 174.900 -0.044 0.000 0.975 280 G CA 0.593 45.669 45.100 -0.040 0.000 0.642 280 G HN 0.961 nan 8.290 nan 0.000 0.536 281 Y N 1.536 121.850 120.300 0.025 0.000 2.299 281 Y HA 0.399 4.950 4.550 0.001 0.000 0.335 281 Y C 1.544 177.445 175.900 0.003 0.000 1.287 281 Y CA 0.057 58.164 58.100 0.013 0.000 1.424 281 Y CB 0.451 38.927 38.460 0.027 0.000 1.326 281 Y HN 0.449 nan 8.280 nan 0.000 0.567 282 Q N 3.468 123.385 119.800 0.194 0.000 2.364 282 Q HA 0.085 4.426 4.340 0.000 0.000 0.267 282 Q C -2.089 173.959 176.000 0.081 0.000 0.999 282 Q CA -1.645 54.213 55.803 0.091 0.000 0.886 282 Q CB 0.651 29.421 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 1.334 64.459 63.100 0.042 0.000 0.779 283 P CB 0.025 31.744 31.700 0.031 0.000 0.780 284 T N -4.168 110.401 114.554 0.026 0.000 3.163 284 T HA 0.146 4.497 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 61.748 62.100 0.021 0.000 0.947 284 T CB -0.942 67.934 68.868 0.014 0.000 1.016 284 T HN -0.072 nan 8.240 nan 0.000 0.554 285 L N 1.213 122.446 121.223 0.016 0.000 1.978 285 L HA -0.134 4.206 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 2.252 57.090 54.840 -0.003 0.000 0.767 285 L CB -0.826 41.195 42.059 -0.063 0.000 0.890 285 L HN 0.422 nan 8.230 nan 0.000 0.434 286 A N -0.792 122.051 122.820 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 0.095 0.000 1.186 286 A CA 2.513 54.595 52.037 0.075 0.000 0.620 286 A CB -1.320 17.717 19.000 0.062 0.000 0.822 286 A HN 0.677 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 1.589 63.732 62.100 0.072 0.000 1.139 287 T CB -0.565 68.334 68.868 0.050 0.000 0.867 287 T HN 0.374 nan 8.240 nan 0.000 0.454 288 D N 0.868 121.327 120.400 0.099 0.000 2.117 288 D HA -0.033 4.607 4.640 0.000 0.000 0.197 288 D C 1.993 178.446 176.300 0.254 0.000 0.987 288 D CA 1.033 55.132 54.000 0.165 0.000 0.829 288 D CB -0.442 40.425 40.800 0.112 0.000 0.961 288 D HN 0.414 nan 8.370 nan 0.000 0.460 289 M N 0.429 120.149 119.600 0.199 0.000 2.099 289 M HA -0.064 4.416 4.480 0.000 0.000 0.262 289 M C 2.055 178.313 176.300 -0.071 0.000 1.067 289 M CA 1.969 57.325 55.300 0.093 0.000 1.124 289 M CB -0.250 32.394 32.600 0.073 0.000 1.353 289 M HN 0.048 nan 8.290 nan 0.000 0.410 290 G N -0.421 108.411 108.800 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 1.360 176.279 174.900 0.033 0.000 1.200 290 G CA 1.687 46.843 45.100 0.093 0.000 0.782 290 G HN 0.591 nan 8.290 nan 0.000 0.554 291 T N -1.562 113.017 114.554 0.043 0.000 3.051 291 T HA 0.074 4.424 4.350 0.000 0.000 0.269 291 T C 2.063 176.756 174.700 -0.012 0.000 1.127 291 T CA 1.358 63.477 62.100 0.031 0.000 1.107 291 T CB 0.025 68.927 68.868 0.057 0.000 0.898 291 T HN 0.255 nan 8.240 nan 0.000 0.517 292 M N -0.004 119.555 119.600 -0.069 0.000 2.398 292 M HA 0.074 4.554 4.480 0.000 0.000 0.261 292 M C 2.227 178.381 176.300 -0.242 0.000 1.125 292 M CA 0.884 56.074 55.300 -0.183 0.000 1.183 292 M CB -0.155 32.232 32.600 -0.354 0.000 1.322 292 M HN 0.049 nan 8.290 nan 0.000 0.467 293 Q N 0.946 120.559 119.800 -0.312 0.000 2.135 293 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 293 Q C 1.585 177.484 176.000 -0.168 0.000 0.981 293 Q CA 1.357 56.949 55.803 -0.353 0.000 0.856 293 Q CB -0.445 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 0.184 120.337 120.200 -0.077 0.000 2.472 294 E HA -0.115 4.235 4.350 0.000 0.000 0.200 294 E C 1.502 178.084 176.600 -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 0.336 nan 8.360 nan 0.000 0.533 295 R N -0.081 120.380 120.500 -0.064 0.000 2.265 295 R HA 0.235 4.575 4.340 0.000 0.000 0.194 295 R C 0.914 177.168 176.300 -0.077 0.000 0.931 295 R CA 0.015 56.079 56.100 -0.061 0.000 1.032 295 R CB 0.474 30.735 30.300 -0.066 0.000 0.980 295 R HN 0.028 nan 8.270 nan 0.000 0.497 296 I N 1.904 122.412 120.570 -0.104 0.000 2.243 296 I HA 0.073 4.243 4.170 0.000 0.000 0.297 296 I C -0.067 175.998 176.117 -0.087 0.000 1.161 296 I CA 0.239 61.470 61.300 -0.114 0.000 1.298 296 I CB 0.547 38.451 38.000 -0.159 0.000 1.475 296 I HN -0.062 nan 8.210 nan 0.000 0.561 297 T N 2.614 117.127 114.554 -0.067 0.000 2.886 297 T HA 0.265 4.615 4.350 0.000 0.000 0.330 297 T C -0.306 174.365 174.700 -0.048 0.000 1.488 297 T CA -0.355 61.712 62.100 -0.054 0.000 1.054 297 T CB 1.636 70.482 68.868 -0.038 0.000 1.348 297 T HN 0.270 nan 8.240 nan 0.000 0.489 298 T N 3.072 117.598 114.554 -0.047 0.000 2.899 298 T HA 0.647 4.997 4.350 0.000 0.000 0.295 298 T C 0.376 175.051 174.700 -0.042 0.000 1.033 298 T CA -0.002 62.073 62.100 -0.041 0.000 1.084 298 T CB 0.828 69.672 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 0.756 175.432 174.700 -0.041 0.000 1.126 299 T CA -0.993 61.081 62.100 -0.044 0.000 1.040 299 T CB 1.317 70.162 68.868 -0.039 0.000 1.472 299 T HN 0.351 nan 8.240 nan 0.000 0.500 300 K N -0.008 120.366 120.400 -0.043 0.000 2.288 300 K HA 0.098 4.418 4.320 0.000 0.000 0.201 300 K C 2.051 178.633 176.600 -0.031 0.000 1.048 300 K CA 0.817 57.081 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 -0.354 120.028 120.400 -0.030 0.000 2.098 301 K HA 0.020 4.341 4.320 0.000 0.000 0.203 301 K C 0.768 177.353 176.600 -0.026 0.000 1.051 301 K CA 0.779 57.049 56.287 -0.029 0.000 0.957 301 K CB 0.546 33.026 32.500 -0.033 0.000 0.738 301 K HN 0.157 nan 8.250 nan 0.000 0.447 302 G N -0.992 107.794 108.800 -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 -0.651 115.048 115.700 -0.002 0.000 2.451 303 S HA 0.708 5.178 4.470 0.000 0.000 0.301 303 S C -0.509 174.087 174.600 -0.007 0.000 1.116 303 S CA -0.633 57.563 58.200 -0.007 0.000 1.093 303 S CB 0.522 63.724 63.200 0.003 0.000 1.017 303 S HN 0.400 nan 8.310 nan 0.000 0.482 304 I N 4.398 124.948 120.570 -0.033 0.000 2.420 304 I HA 0.224 4.394 4.170 0.000 0.000 0.282 304 I C -0.308 175.747 176.117 -0.104 0.000 1.019 304 I CA -0.355 60.910 61.300 -0.057 0.000 1.130 304 I CB 1.895 39.859 38.000 -0.060 0.000 1.262 304 I HN 0.499 nan 8.210 nan 0.000 0.454 305 T N 4.352 118.821 114.554 -0.141 0.000 2.749 305 T HA 0.317 4.667 4.350 0.000 0.000 0.295 305 T C 0.105 174.627 174.700 -0.296 0.000 0.936 305 T CA -0.519 61.467 62.100 -0.190 0.000 1.060 305 T CB 0.612 69.367 68.868 -0.189 0.000 0.904 305 T HN 0.626 nan 8.240 nan 0.000 0.500 306 S N 2.012 117.537 115.700 -0.291 0.000 2.502 306 S HA 0.700 5.170 4.470 0.000 0.000 0.304 306 S C -0.622 173.753 174.600 -0.376 0.000 1.097 306 S CA -0.864 57.122 58.200 -0.358 0.000 1.045 306 S CB 1.394 64.436 63.200 -0.264 0.000 1.019 306 S HN 0.393 nan 8.310 nan 0.000 0.481 307 V N 3.368 123.010 119.914 -0.453 0.000 2.378 307 V HA 0.471 4.592 4.120 0.000 0.000 0.288 307 V C -0.500 175.459 176.094 -0.225 0.000 1.016 307 V CA -0.475 61.629 62.300 -0.327 0.000 0.840 307 V CB 1.175 32.854 31.823 -0.240 0.000 0.994 307 V HN 0.953 nan 8.190 nan 0.000 0.431 308 Q N 3.113 122.789 119.800 -0.206 0.000 2.325 308 Q HA 0.725 5.066 4.340 0.000 0.000 0.270 308 Q C -0.354 175.545 176.000 -0.169 0.000 1.020 308 Q CA -0.586 55.102 55.803 -0.193 0.000 0.785 308 Q CB 2.657 31.256 28.738 -0.231 0.000 1.259 308 Q HN 0.866 nan 8.270 nan 0.000 0.452 309 A N 3.677 126.433 122.820 -0.106 0.000 2.366 309 A HA 0.537 4.857 4.320 0.000 0.000 0.272 309 A C -0.316 177.202 177.584 -0.110 0.000 1.135 309 A CA -0.299 51.695 52.037 -0.072 0.000 0.804 309 A CB 0.062 19.076 19.000 0.023 0.000 1.064 309 A HN 0.756 nan 8.150 nan 0.000 0.499 310 I N 3.125 123.568 120.570 -0.212 0.000 2.464 310 I HA 0.132 4.302 4.170 0.000 0.000 0.277 310 I C -0.707 175.325 176.117 -0.141 0.000 1.040 310 I CA -0.458 60.693 61.300 -0.248 0.000 1.153 310 I CB 0.840 38.388 38.000 -0.753 0.000 1.274 310 I HN 0.728 nan 8.210 nan 0.000 0.469 311 Y N 6.916 127.140 120.300 -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 0.132 58.072 58.100 -0.266 0.000 1.417 311 Y CB 0.712 39.042 38.460 -0.216 0.000 1.229 311 Y HN 0.273 nan 8.280 nan 0.000 0.532 312 V N 10.051 129.378 119.914 -0.979 0.000 2.311 312 V HA 0.268 4.389 4.120 0.000 0.000 0.275 312 V C -2.110 173.472 176.094 -0.854 0.000 1.022 312 V CA -2.084 59.818 62.300 -0.664 0.000 0.830 312 V CB 0.908 32.572 31.823 -0.266 0.000 1.012 312 V HN 0.707 nan 8.190 nan 0.000 0.452 313 P HA 0.147 nan 4.420 nan 0.000 0.267 313 P C 0.596 177.837 177.300 -0.098 0.000 1.209 313 P CA 0.727 63.697 63.100 -0.217 0.000 0.763 313 P CB 0.996 32.740 31.700 0.074 0.000 0.816 314 A N 3.669 126.461 122.820 -0.046 0.000 2.910 314 A HA -0.270 4.050 4.320 0.000 0.000 0.267 314 A C 0.935 178.490 177.584 -0.048 0.000 1.310 314 A CA 1.500 53.529 52.037 -0.013 0.000 0.934 314 A CB -2.625 16.388 19.000 0.022 0.000 1.057 314 A HN 0.536 nan 8.150 nan 0.000 0.742 315 D N -2.223 118.105 120.400 -0.120 0.000 3.028 315 D HA -0.157 4.483 4.640 0.000 0.000 0.207 315 D C -0.258 176.010 176.300 -0.054 0.000 1.100 315 D CA 1.993 55.933 54.000 -0.099 0.000 0.995 315 D CB -1.261 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 0.421 120.799 120.400 -0.036 0.000 2.393 316 D HA 0.197 4.837 4.640 0.000 0.000 0.232 316 D C 1.360 177.680 176.300 0.034 0.000 1.192 316 D CA -0.198 53.806 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 0.183 nan 8.370 nan 0.000 0.499 317 L N 2.775 124.025 121.223 0.046 0.000 2.622 317 L HA -0.037 4.304 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 0.892 55.798 54.840 0.109 0.000 0.866 317 L CB -0.204 41.910 42.059 0.092 0.000 0.980 317 L HN 0.481 nan 8.230 nan 0.000 0.448 318 T N -5.341 109.260 114.554 0.079 0.000 3.107 318 T HA -0.006 4.344 4.350 0.000 0.000 0.249 318 T C 0.498 175.262 174.700 0.105 0.000 1.096 318 T CA -0.462 61.683 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 0.119 nan 8.240 nan 0.000 0.527 319 D N 2.643 123.123 120.400 0.132 0.000 2.458 319 D HA 0.161 4.801 4.640 0.000 0.000 0.243 319 D C -1.273 175.115 176.300 0.147 0.000 1.146 319 D CA -1.781 52.328 54.000 0.182 0.000 0.877 319 D CB 1.176 42.108 40.800 0.221 0.000 1.176 319 D HN -0.047 nan 8.370 nan 0.000 0.461 320 P HA -0.313 nan 4.420 nan 0.000 0.220 320 P C 0.788 177.995 177.300 -0.154 0.000 1.155 320 P CA 2.164 65.209 63.100 -0.092 0.000 0.880 320 P CB 0.010 31.547 31.700 -0.273 0.000 0.790 321 A N -0.140 122.571 122.820 -0.181 0.000 1.834 321 A HA -0.147 4.174 4.320 0.000 0.000 0.216 321 A C 0.019 177.699 177.584 0.160 0.000 1.203 321 A CA 2.679 54.721 52.037 0.009 0.000 0.621 321 A CB -2.290 16.900 19.000 0.317 0.000 0.841 321 A HN 0.226 nan 8.150 nan 0.000 0.446 322 P HA -0.102 nan 4.420 nan 0.000 0.216 322 P C 1.651 179.136 177.300 0.308 0.000 1.153 322 P CA 2.028 65.294 63.100 0.276 0.000 0.848 322 P CB -0.280 31.604 31.700 0.308 0.000 0.787 323 A N -0.005 122.990 122.820 0.291 0.000 1.892 323 A HA -0.188 4.132 4.320 0.000 0.000 0.218 323 A C 2.220 179.990 177.584 0.310 0.000 1.188 323 A CA 2.652 54.889 52.037 0.332 0.000 0.631 323 A CB -2.068 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 -0.494 114.177 114.554 0.195 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 1.444 63.646 62.100 0.170 0.000 1.085 324 T CB -0.182 68.747 68.868 0.101 0.000 0.934 324 T HN 0.570 nan 8.240 nan 0.000 0.518 325 T N 1.044 115.745 114.554 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 0.018 62.262 62.100 0.241 0.000 1.109 325 T CB -0.232 68.670 68.868 0.058 0.000 0.921 325 T HN 0.265 nan 8.240 nan 0.000 0.488 326 F N 2.628 122.758 119.950 0.300 0.000 2.065 326 F HA -0.124 4.403 4.527 0.000 0.000 0.298 326 F C 2.708 178.566 175.800 0.098 0.000 1.112 326 F CA 1.200 59.319 58.000 0.199 0.000 1.212 326 F CB -0.923 38.093 39.000 0.026 0.000 0.975 326 F HN 0.145 nan 8.300 nan 0.000 0.476 327 A N -1.492 121.442 122.820 0.190 0.000 2.245 327 A HA -0.215 4.105 4.320 0.000 0.000 0.217 327 A C 1.519 179.014 177.584 -0.148 0.000 1.171 327 A CA 1.668 53.692 52.037 -0.023 0.000 0.688 327 A CB -1.017 17.889 19.000 -0.157 0.000 0.781 327 A HN 0.572 nan 8.150 nan 0.000 0.479 328 H N -1.687 117.431 119.070 0.080 0.000 2.652 328 H HA 0.366 4.922 4.556 0.000 0.000 0.274 328 H C -0.132 175.203 175.328 0.012 0.000 1.021 328 H CA -0.002 56.063 56.048 0.027 0.000 1.187 328 H CB 0.199 29.956 29.762 -0.007 0.000 1.505 328 H HN 0.373 nan 8.280 nan 0.000 0.530 329 L N 0.034 121.341 121.223 0.139 0.000 2.332 329 L HA 0.258 4.599 4.340 0.000 0.000 0.269 329 L C 0.908 177.819 176.870 0.068 0.000 1.016 329 L CA -0.592 54.299 54.840 0.085 0.000 0.809 329 L CB 1.556 43.681 42.059 0.111 0.000 1.280 329 L HN -0.142 nan 8.230 nan 0.000 0.447 330 D N 0.325 120.746 120.400 0.035 0.000 2.380 330 D HA 0.237 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 54.579 54.000 0.036 0.000 0.884 330 D CB 1.047 41.853 40.800 0.010 0.000 1.001 330 D HN 0.513 nan 8.370 nan 0.000 0.506 331 A N 0.530 123.381 122.820 0.053 0.000 2.455 331 A HA 0.588 4.909 4.320 0.000 0.000 0.300 331 A C -0.496 177.163 177.584 0.126 0.000 1.040 331 A CA -0.556 51.545 52.037 0.107 0.000 0.697 331 A CB 1.676 20.768 19.000 0.154 0.000 1.265 331 A HN -0.022 nan 8.150 nan 0.000 0.407 332 T N -0.991 113.684 114.554 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 1.520 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 3.095 117.837 114.554 0.314 0.000 3.042 333 T HA 0.402 4.752 4.350 0.000 0.000 0.356 333 T C 0.017 174.886 174.700 0.281 0.000 1.233 333 T CA -0.502 61.766 62.100 0.279 0.000 1.038 333 T CB 0.404 69.453 68.868 0.301 0.000 1.089 333 T HN 0.649 nan 8.240 nan 0.000 0.531 334 V N 5.691 125.741 119.914 0.226 0.000 2.387 334 V HA 0.245 4.365 4.120 0.000 0.000 0.260 334 V C 0.438 176.616 176.094 0.140 0.000 1.054 334 V CA -0.503 61.918 62.300 0.202 0.000 0.967 334 V CB 0.015 31.898 31.823 0.100 0.000 1.036 334 V HN 0.732 nan 8.190 nan 0.000 0.481 335 L N 4.163 125.475 121.223 0.147 0.000 2.395 335 L HA 0.481 4.821 4.340 0.000 0.000 0.269 335 L C 0.519 177.423 176.870 0.057 0.000 1.133 335 L CA 0.302 55.201 54.840 0.098 0.000 0.812 335 L CB 1.411 43.537 42.059 0.112 0.000 1.125 335 L HN 0.624 nan 8.230 nan 0.000 0.452 336 S N 1.333 117.047 115.700 0.023 0.000 2.502 336 S HA 0.339 4.809 4.470 0.000 0.000 0.304 336 S C 0.652 175.240 174.600 -0.019 0.000 1.097 336 S CA -0.751 57.447 58.200 -0.004 0.000 1.045 336 S CB 1.704 64.892 63.200 -0.020 0.000 1.019 336 S HN 0.706 nan 8.310 nan 0.000 0.481 337 R N 3.463 123.954 120.500 -0.015 0.000 2.066 337 R HA -0.016 4.324 4.340 0.000 0.000 0.232 337 R C 2.223 178.503 176.300 -0.034 0.000 1.131 337 R CA 1.804 57.896 56.100 -0.015 0.000 0.955 337 R CB -0.702 29.594 30.300 -0.007 0.000 0.851 337 R HN 0.783 nan 8.270 nan 0.000 0.432 338 A N 1.275 124.074 122.820 -0.035 0.000 1.892 338 A HA -0.210 4.110 4.320 0.000 0.000 0.218 338 A C 2.158 179.706 177.584 -0.059 0.000 1.188 338 A CA 1.843 53.856 52.037 -0.041 0.000 0.631 338 A CB -0.680 18.296 19.000 -0.040 0.000 0.822 338 A HN 0.390 nan 8.150 nan 0.000 0.447 339 I N -0.433 120.094 120.570 -0.072 0.000 2.179 339 I HA -0.275 3.896 4.170 0.000 0.000 0.242 339 I C 3.012 179.017 176.117 -0.187 0.000 1.088 339 I CA 1.054 62.293 61.300 -0.100 0.000 1.357 339 I CB -0.551 37.394 38.000 -0.091 0.000 1.051 339 I HN 0.370 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 2.190 179.625 177.584 -0.249 0.000 1.182 340 A CA 1.917 53.703 52.037 -0.419 0.000 0.633 340 A CB -0.708 18.190 19.000 -0.171 0.000 0.819 340 A HN 0.484 nan 8.150 nan 0.000 0.448 341 E N -0.506 119.634 120.200 -0.100 0.000 2.265 341 E HA -0.072 4.278 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 0.541 56.919 56.400 -0.035 0.000 0.832 341 E CB -0.204 29.487 29.700 -0.016 0.000 0.756 341 E HN 0.626 nan 8.360 nan 0.000 0.491 342 L N -0.549 120.635 121.223 -0.066 0.000 2.554 342 L HA 0.048 4.388 4.340 0.000 0.000 0.226 342 L C 1.390 178.248 176.870 -0.020 0.000 1.137 342 L CA 0.538 55.357 54.840 -0.035 0.000 0.863 342 L CB 0.064 42.108 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 3.744 3.960 0.000 0.000 0.239 343 G HA3 -0.217 3.744 3.960 0.000 0.000 0.239 343 G C 0.209 175.147 174.900 0.063 0.000 0.982 343 G CA -0.477 44.662 45.100 0.065 0.000 0.650 343 G HN 0.135 nan 8.290 nan 0.000 0.527 344 I N 1.150 121.619 120.570 -0.168 0.000 2.312 344 I HA 0.463 4.633 4.170 0.000 0.000 0.291 344 I C -0.175 175.684 176.117 -0.430 0.000 1.031 344 I CA -0.607 60.611 61.300 -0.137 0.000 1.293 344 I CB 0.014 37.972 38.000 -0.070 0.000 1.403 344 I HN 0.045 nan 8.210 nan 0.000 0.484 345 Y N 7.152 127.380 120.300 -0.120 0.000 2.425 345 Y HA 0.431 4.981 4.550 0.000 0.000 0.344 345 Y C -2.123 173.565 175.900 -0.354 0.000 0.969 345 Y CA -2.658 55.316 58.100 -0.210 0.000 1.052 345 Y CB 1.888 40.202 38.460 -0.244 0.000 1.215 345 Y HN 0.408 nan 8.280 nan 0.000 0.451 346 P HA 0.117 nan 4.420 nan 0.000 0.271 346 P C -0.313 176.990 177.300 0.004 0.000 1.216 346 P CA -0.246 62.869 63.100 0.025 0.000 0.776 346 P CB 1.020 32.808 31.700 0.146 0.000 0.881 347 A N 3.484 126.305 122.820 0.001 0.000 2.478 347 A HA 0.145 4.465 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 51.806 52.037 -0.096 0.000 1.308 347 A CB -1.352 17.570 19.000 -0.131 0.000 0.899 347 A HN 0.393 nan 8.150 nan 0.000 0.600 348 V N 1.201 121.128 119.914 0.022 0.000 2.585 348 V HA 0.010 4.131 4.120 0.000 0.000 0.296 348 V C 0.463 176.567 176.094 0.017 0.000 1.035 348 V CA -0.262 62.065 62.300 0.045 0.000 1.084 348 V CB 0.910 32.769 31.823 0.061 0.000 0.953 348 V HN 0.578 nan 8.190 nan 0.000 0.483 349 D N 8.005 128.418 120.400 0.022 0.000 2.352 349 D HA 0.189 4.829 4.640 0.000 0.000 0.245 349 D C -1.156 175.142 176.300 -0.003 0.000 1.224 349 D CA -2.109 51.891 54.000 0.000 0.000 0.879 349 D CB 1.763 42.562 40.800 -0.001 0.000 1.057 349 D HN 0.268 nan 8.370 nan 0.000 0.491 350 P HA -0.078 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 0.620 63.702 63.100 -0.030 0.000 0.787 350 P CB 0.447 32.122 31.700 -0.042 0.000 0.788 351 L N -1.033 120.167 121.223 -0.038 0.000 2.628 351 L HA 0.205 4.545 4.340 0.000 0.000 0.229 351 L C 1.484 178.323 176.870 -0.050 0.000 1.137 351 L CA 0.407 55.219 54.840 -0.046 0.000 0.909 351 L CB -0.194 41.836 42.059 -0.049 0.000 1.137 351 L HN -0.122 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 0.384 176.674 176.300 -0.017 0.000 1.159 352 D CA 0.238 54.208 54.000 -0.049 0.000 0.823 352 D CB 0.768 41.538 40.800 -0.051 0.000 1.097 352 D HN -0.063 nan 8.370 nan 0.000 0.519 353 S N -0.199 115.510 115.700 0.014 0.000 2.554 353 S HA 0.642 5.112 4.470 0.000 0.000 0.278 353 S C 0.240 174.867 174.600 0.046 0.000 1.242 353 S CA -0.442 57.796 58.200 0.062 0.000 1.051 353 S CB 1.727 64.977 63.200 0.083 0.000 0.986 353 S HN 0.337 nan 8.310 nan 0.000 0.502 354 T N -1.368 113.233 114.554 0.079 0.000 2.812 354 T HA 0.800 5.150 4.350 0.000 0.000 0.294 354 T C -0.873 173.879 174.700 0.087 0.000 1.159 354 T CA -0.880 61.252 62.100 0.054 0.000 1.008 354 T CB 1.734 70.621 68.868 0.030 0.000 1.289 354 T HN 0.543 nan 8.240 nan 0.000 0.514 355 S N -0.955 114.784 115.700 0.065 0.000 2.605 355 S HA 0.338 4.808 4.470 0.000 0.000 0.279 355 S C 0.309 174.941 174.600 0.052 0.000 1.166 355 S CA -0.797 57.450 58.200 0.078 0.000 0.975 355 S CB 1.328 64.583 63.200 0.092 0.000 1.111 355 S HN 0.797 nan 8.310 nan 0.000 0.465 356 R N 2.833 123.363 120.500 0.051 0.000 2.397 356 R HA 0.046 4.386 4.340 0.000 0.000 0.213 356 R C 0.929 177.248 176.300 0.032 0.000 1.102 356 R CA 0.783 56.905 56.100 0.037 0.000 1.040 356 R CB -0.230 30.089 30.300 0.031 0.000 0.844 356 R HN 0.571 nan 8.270 nan 0.000 0.478 357 I N -0.194 120.395 120.570 0.033 0.000 3.860 357 I HA 0.005 4.175 4.170 0.000 0.000 0.319 357 I C 0.833 176.953 176.117 0.004 0.000 1.279 357 I CA 0.111 61.422 61.300 0.019 0.000 1.220 357 I CB -0.187 37.829 38.000 0.027 0.000 1.027 357 I HN 0.118 nan 8.210 nan 0.000 0.428 358 M N 2.146 121.755 119.600 0.015 0.000 3.705 358 M HA 0.080 4.560 4.480 0.000 0.000 0.191 358 M C -0.481 175.920 176.300 0.169 0.000 1.570 358 M CA -0.069 55.247 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 1.639 122.106 120.400 0.113 0.000 2.649 359 D HA 0.434 5.074 4.640 0.000 0.000 0.249 359 D C -2.290 173.989 176.300 -0.036 0.000 1.112 359 D CA -2.024 51.996 54.000 0.033 0.000 0.850 359 D CB 2.230 43.022 40.800 -0.012 0.000 1.399 359 D HN 0.065 nan 8.370 nan 0.000 0.503 360 P HA -0.120 nan 4.420 nan 0.000 0.216 360 P C 0.197 177.439 177.300 -0.096 0.000 1.150 360 P CA 1.294 64.255 63.100 -0.232 0.000 0.843 360 P CB 0.021 31.443 31.700 -0.464 0.000 0.787 361 N N -1.353 117.285 118.700 -0.103 0.000 2.515 361 N HA 0.070 4.810 4.740 0.000 0.000 0.191 361 N C 1.266 176.762 175.510 -0.023 0.000 1.182 361 N CA 0.373 53.391 53.050 -0.053 0.000 0.879 361 N CB -0.264 38.191 38.487 -0.053 0.000 0.984 361 N HN 0.258 nan 8.380 nan 0.000 0.453 362 I N -1.392 119.171 120.570 -0.013 0.000 4.228 362 I HA -0.004 4.166 4.170 0.000 0.000 0.298 362 I C 1.420 177.551 176.117 0.023 0.000 1.206 362 I CA 0.163 61.466 61.300 0.005 0.000 1.322 362 I CB 0.380 38.381 38.000 0.002 0.000 1.411 362 I HN 0.038 nan 8.210 nan 0.000 0.454 363 V N -0.897 119.026 119.914 0.016 0.000 3.647 363 V HA 0.614 4.734 4.120 0.000 0.000 0.279 363 V C 0.792 176.966 176.094 0.132 0.000 1.314 363 V CA 0.281 62.609 62.300 0.046 0.000 1.125 363 V CB -0.734 30.959 31.823 -0.216 0.000 0.907 363 V HN 0.468 nan 8.190 nan 0.000 0.434 364 G N 1.040 109.894 108.800 0.090 0.000 2.705 364 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 364 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 364 G C 0.404 175.385 174.900 0.134 0.000 1.285 364 G CA 0.231 45.390 45.100 0.098 0.000 0.800 364 G HN 1.359 nan 8.290 nan 0.000 0.611 365 S N -0.357 115.404 115.700 0.103 0.000 2.428 365 S HA -0.035 4.435 4.470 0.000 0.000 0.230 365 S C 1.703 176.412 174.600 0.182 0.000 1.014 365 S CA 1.652 59.935 58.200 0.139 0.000 0.957 365 S CB 0.012 63.255 63.200 0.071 0.000 0.784 365 S HN 0.862 nan 8.310 nan 0.000 0.499 366 E N 1.122 121.412 120.200 0.150 0.000 2.031 366 E HA -0.266 4.085 4.350 0.000 0.000 0.193 366 E C 2.037 178.753 176.600 0.194 0.000 0.994 366 E CA 1.378 57.862 56.400 0.140 0.000 0.800 366 E CB -0.336 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 -1.463 117.663 119.070 0.093 0.000 2.293 367 H HA -0.210 4.347 4.556 0.000 0.000 0.300 367 H C 2.132 177.508 175.328 0.079 0.000 1.082 367 H CA 1.605 57.700 56.048 0.079 0.000 1.308 367 H CB -0.121 29.687 29.762 0.077 0.000 1.375 367 H HN 0.254 nan 8.280 nan 0.000 0.495 368 Y N 1.399 121.765 120.300 0.110 0.000 2.256 368 Y HA -0.223 4.327 4.550 0.000 0.000 0.288 368 Y C 1.521 177.446 175.900 0.041 0.000 1.155 368 Y CA 1.840 59.950 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 -1.299 119.199 120.400 0.163 0.000 2.271 369 D HA -0.078 4.563 4.640 0.000 0.000 0.206 369 D C 2.286 178.598 176.300 0.020 0.000 0.967 369 D CA 0.979 55.030 54.000 0.085 0.000 0.867 369 D CB -0.144 40.738 40.800 0.137 0.000 0.960 369 D HN 0.292 nan 8.370 nan 0.000 0.509 370 V N 1.418 121.362 119.914 0.050 0.000 2.323 370 V HA -0.139 3.981 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 1.566 63.894 62.300 0.047 0.000 1.025 370 V CB -0.794 31.085 31.823 0.094 0.000 0.656 370 V HN 0.146 nan 8.190 nan 0.000 0.451 371 A N 0.512 123.311 122.820 -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 1.967 53.933 52.037 -0.118 0.000 0.629 371 A CB -0.576 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 -0.365 119.972 120.500 -0.272 0.000 2.189 372 R HA -0.071 4.269 4.340 0.000 0.000 0.223 372 R C 2.201 178.431 176.300 -0.116 0.000 1.092 372 R CA 1.025 56.984 56.100 -0.235 0.000 0.989 372 R CB -1.419 28.698 30.300 -0.303 0.000 0.876 372 R HN 0.589 nan 8.270 nan 0.000 0.457 373 G N 0.198 108.949 108.800 -0.081 0.000 2.394 373 G HA2 -0.169 3.791 3.960 0.000 0.000 0.214 373 G HA3 -0.169 3.791 3.960 0.000 0.000 0.214 373 G C 1.553 176.435 174.900 -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 0.855 120.736 119.914 -0.055 0.000 2.287 374 V HA -0.267 3.853 4.120 0.000 0.000 0.248 374 V C 2.971 179.029 176.094 -0.059 0.000 1.053 374 V CA 2.358 64.618 62.300 -0.067 0.000 1.027 374 V CB -0.637 31.069 31.823 -0.195 0.000 0.646 374 V HN 0.457 nan 8.190 nan 0.000 0.447 375 Q N -0.276 119.475 119.800 -0.081 0.000 2.124 375 Q HA -0.268 4.072 4.340 0.000 0.000 0.202 375 Q C 2.357 178.336 176.000 -0.035 0.000 0.977 375 Q CA 1.763 57.528 55.803 -0.063 0.000 0.850 375 Q CB -0.284 28.404 28.738 -0.083 0.000 0.901 375 Q HN 0.586 nan 8.270 nan 0.000 0.429 376 K N 1.042 121.423 120.400 -0.033 0.000 2.057 376 K HA -0.142 4.179 4.320 0.000 0.000 0.207 376 K C 1.975 178.579 176.600 0.007 0.000 1.049 376 K CA 0.958 57.236 56.287 -0.014 0.000 0.931 376 K CB -0.085 32.407 32.500 -0.013 0.000 0.714 376 K HN 0.202 nan 8.250 nan 0.000 0.440 377 I N 0.926 121.504 120.570 0.013 0.000 2.353 377 I HA -0.232 3.938 4.170 0.000 0.000 0.248 377 I C 1.732 177.892 176.117 0.072 0.000 1.119 377 I CA 0.900 62.221 61.300 0.034 0.000 1.417 377 I CB 0.145 38.160 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 0.688 55.589 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 0.486 120.301 119.800 0.025 0.000 2.079 379 Q HA -0.191 4.149 4.340 0.000 0.000 0.200 379 Q C 1.692 177.702 176.000 0.016 0.000 0.974 379 Q CA 1.691 57.494 55.803 0.000 0.000 0.840 379 Q CB -0.047 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 -0.882 119.545 120.400 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 55.120 54.000 0.059 0.000 0.829 380 D CB -0.441 40.392 40.800 0.055 0.000 0.961 380 D HN 0.329 nan 8.370 nan 0.000 0.460 381 Y N 1.975 122.268 120.300 -0.012 0.000 2.181 381 Y HA -0.170 4.381 4.550 0.001 0.000 0.288 381 Y C 2.159 178.052 175.900 -0.012 0.000 1.146 381 Y CA 1.423 59.517 58.100 -0.010 0.000 1.164 381 Y CB -0.432 38.022 38.460 -0.010 0.000 0.982 381 Y HN -0.169 nan 8.280 nan 0.000 0.515 382 K N 0.060 120.383 120.400 -0.127 0.000 2.074 382 K HA -0.186 4.134 4.320 0.000 0.000 0.209 382 K C 2.234 178.758 176.600 -0.127 0.000 1.048 382 K CA 2.158 58.314 56.287 -0.219 0.000 0.926 382 K CB -0.255 32.164 32.500 -0.134 0.000 0.713 382 K HN 0.491 nan 8.250 nan 0.000 0.444 383 S N 0.440 116.111 115.700 -0.049 0.000 2.406 383 S HA -0.064 4.406 4.470 0.000 0.000 0.228 383 S C 1.941 176.534 174.600 -0.012 0.000 1.020 383 S CA 0.707 58.889 58.200 -0.030 0.000 0.965 383 S CB -0.377 62.815 63.200 -0.013 0.000 0.798 383 S HN 0.250 nan 8.310 nan 0.000 0.488 384 L N 1.039 122.276 121.223 0.024 0.000 2.201 384 L HA -0.079 4.262 4.340 0.000 0.000 0.212 384 L C 2.947 179.834 176.870 0.029 0.000 1.105 384 L CA 1.039 55.910 54.840 0.052 0.000 0.775 384 L CB -0.649 41.484 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 1.669 177.647 176.000 -0.037 0.000 0.988 385 Q CA 2.139 57.900 55.803 -0.069 0.000 0.878 385 Q CB -0.091 28.516 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 -0.157 4.483 4.640 0.000 0.000 0.194 386 D C 1.552 177.847 176.300 -0.007 0.000 0.990 386 D CA 1.321 55.308 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 0.214 nan 8.370 nan 0.000 0.453 387 I N 0.420 120.992 120.570 0.002 0.000 2.202 387 I HA -0.189 3.981 4.170 0.000 0.000 0.242 387 I C 1.954 178.082 176.117 0.018 0.000 1.091 387 I CA 0.478 61.784 61.300 0.010 0.000 1.368 387 I CB -0.353 37.656 38.000 0.015 0.000 1.058 387 I HN 0.067 nan 8.210 nan 0.000 0.410 388 I N 1.723 122.311 120.570 0.030 0.000 2.315 388 I HA -0.310 3.860 4.170 0.000 0.000 0.251 388 I C 2.807 178.941 176.117 0.029 0.000 1.125 388 I CA 1.715 63.041 61.300 0.044 0.000 1.392 388 I CB -1.861 36.189 38.000 0.083 0.000 1.065 388 I HN 0.247 nan 8.210 nan 0.000 0.424 389 A N 0.705 123.535 122.820 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 0.007 0.000 1.169 389 A CA 1.430 53.471 52.037 0.007 0.000 0.635 389 A CB -0.310 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 -1.356 119.218 120.570 0.007 0.000 2.947 390 I HA 0.094 4.264 4.170 0.000 0.000 0.263 390 I C 1.851 177.973 176.117 0.008 0.000 1.130 390 I CA 0.789 62.092 61.300 0.006 0.000 1.448 390 I CB -1.125 36.877 38.000 0.003 0.000 1.222 390 I HN 0.202 nan 8.210 nan 0.000 0.453 391 L N 0.256 121.486 121.223 0.010 0.000 2.640 391 L HA 0.364 4.704 4.340 0.000 0.000 0.230 391 L C 1.200 178.079 176.870 0.015 0.000 1.123 391 L CA 0.250 55.097 54.840 0.012 0.000 0.900 391 L CB -0.399 41.666 42.059 0.011 0.000 1.146 391 L HN 0.418 nan 8.230 nan 0.000 0.484 392 G N 0.776 109.588 108.800 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 0.327 175.244 174.900 0.027 0.000 1.294 392 G CA 0.346 45.460 45.100 0.024 0.000 0.912 392 G HN 0.114 nan 8.290 nan 0.000 0.574 393 M N 0.283 119.897 119.600 0.024 0.000 2.501 393 M HA 0.102 4.582 4.480 0.000 0.000 0.261 393 M C 2.057 178.365 176.300 0.014 0.000 1.129 393 M CA 1.088 56.401 55.300 0.021 0.000 1.126 393 M CB -0.177 32.432 32.600 0.015 0.000 1.359 393 M HN 0.588 nan 8.290 nan 0.000 0.471 394 D N 0.991 121.398 120.400 0.012 0.000 2.230 394 D HA -0.246 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 1.701 55.707 54.000 0.010 0.000 0.853 394 D CB -0.390 40.415 40.800 0.009 0.000 0.959 394 D HN 0.282 nan 8.370 nan 0.000 0.449 395 E N 0.063 120.269 120.200 0.010 0.000 2.515 395 E HA 0.053 4.403 4.350 0.000 0.000 0.201 395 E C 0.426 177.033 176.600 0.011 0.000 1.071 395 E CA -0.081 56.325 56.400 0.010 0.000 0.880 395 E CB -0.125 29.581 29.700 0.010 0.000 0.828 395 E HN 0.330 nan 8.360 nan 0.000 0.540 396 L N 0.733 121.963 121.223 0.013 0.000 2.439 396 L HA 0.064 4.405 4.340 0.000 0.000 0.269 396 L C 0.842 177.717 176.870 0.009 0.000 1.179 396 L CA -0.250 54.598 54.840 0.013 0.000 0.828 396 L CB 0.797 42.865 42.059 0.015 0.000 1.106 396 L HN 0.060 nan 8.230 nan 0.000 0.467 397 S N 1.279 116.984 115.700 0.009 0.000 2.579 397 S HA -0.027 4.443 4.470 0.000 0.000 0.275 397 S C 0.962 175.564 174.600 0.004 0.000 1.345 397 S CA -0.394 57.810 58.200 0.006 0.000 1.031 397 S CB 1.228 64.432 63.200 0.007 0.000 0.892 397 S HN 0.651 nan 8.310 nan 0.000 0.529 398 E N 1.795 121.997 120.200 0.003 0.000 2.118 398 E HA -0.154 4.196 4.350 0.000 0.000 0.195 398 E C 1.847 178.447 176.600 -0.001 0.000 0.992 398 E CA 1.992 58.392 56.400 0.001 0.000 0.804 398 E CB -0.199 29.502 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 1.450 178.049 176.600 -0.002 0.000 0.987 399 E CA 1.233 57.633 56.400 -0.001 0.000 0.799 399 E CB 0.003 29.704 29.700 0.002 0.000 0.752 399 E HN 0.192 nan 8.360 nan 0.000 0.449 400 D N 0.521 120.922 120.400 0.002 0.000 2.144 400 D HA -0.138 4.502 4.640 0.000 0.000 0.199 400 D C 1.686 177.982 176.300 -0.007 0.000 0.984 400 D CA 1.061 55.064 54.000 0.006 0.000 0.834 400 D CB -0.007 40.803 40.800 0.016 0.000 0.955 400 D HN 0.149 nan 8.370 nan 0.000 0.465 401 K N 0.015 120.409 120.400 -0.010 0.000 2.280 401 K HA -0.099 4.221 4.320 0.000 0.000 0.202 401 K C 1.872 178.447 176.600 -0.042 0.000 1.047 401 K CA 0.229 56.502 56.287 -0.025 0.000 0.942 401 K CB 0.060 32.552 32.500 -0.015 0.000 0.739 401 K HN 0.058 nan 8.250 nan 0.000 0.457 402 L N 0.952 122.157 121.223 -0.031 0.000 2.270 402 L HA -0.094 4.246 4.340 0.000 0.000 0.210 402 L C 2.396 179.233 176.870 -0.055 0.000 1.104 402 L CA 1.612 56.430 54.840 -0.036 0.000 0.804 402 L CB -0.567 41.481 42.059 -0.019 0.000 0.937 402 L HN 0.258 nan 8.230 nan 0.000 0.450 403 T N -3.778 110.747 114.554 -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 1.572 63.639 62.100 -0.055 0.000 1.144 403 T CB -0.972 67.889 68.868 -0.013 0.000 0.866 403 T HN 0.085 nan 8.240 nan 0.000 0.434 404 V N 2.430 122.239 119.914 -0.174 0.000 2.282 404 V HA -0.218 3.903 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 2.314 64.388 62.300 -0.376 0.000 1.032 404 V CB -1.251 30.427 31.823 -0.243 0.000 0.645 404 V HN 0.620 nan 8.190 nan 0.000 0.447 405 S N -0.106 115.480 115.700 -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 1.736 59.848 58.200 -0.147 0.000 1.031 405 S CB -0.435 62.717 63.200 -0.080 0.000 0.928 405 S HN 0.509 nan 8.310 nan 0.000 0.433 406 R N 1.244 121.656 120.500 -0.146 0.000 2.091 406 R HA -0.032 4.308 4.340 0.000 0.000 0.238 406 R C 2.621 178.836 176.300 -0.141 0.000 1.136 406 R CA 1.284 57.301 56.100 -0.138 0.000 0.959 406 R CB -0.601 29.651 30.300 -0.080 0.000 0.856 406 R HN 0.461 nan 8.270 nan 0.000 0.437 407 A N 0.980 123.700 122.820 -0.166 0.000 1.902 407 A HA -0.168 4.152 4.320 0.000 0.000 0.217 407 A C 2.004 179.518 177.584 -0.116 0.000 1.181 407 A CA 1.290 53.252 52.037 -0.124 0.000 0.623 407 A CB -0.332 18.551 19.000 -0.195 0.000 0.818 407 A HN 0.237 nan 8.150 nan 0.000 0.443 408 R N -0.442 119.914 120.500 -0.241 0.000 2.189 408 R HA -0.017 4.323 4.340 0.000 0.000 0.218 408 R C 1.852 178.109 176.300 -0.072 0.000 1.074 408 R CA 1.283 57.310 56.100 -0.122 0.000 0.991 408 R CB -0.128 30.080 30.300 -0.154 0.000 0.883 408 R HN 0.492 nan 8.270 nan 0.000 0.457 409 K N 0.095 120.386 120.400 -0.181 0.000 2.211 409 K HA 0.069 4.389 4.320 0.000 0.000 0.201 409 K C 1.861 178.283 176.600 -0.297 0.000 1.052 409 K CA 0.617 56.664 56.287 -0.401 0.000 0.973 409 K CB 0.204 32.215 32.500 -0.815 0.000 0.766 409 K HN 0.085 nan 8.250 nan 0.000 0.466 410 I N 1.270 121.787 120.570 -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 1.110 62.525 61.300 0.191 0.000 1.397 410 I CB 0.025 38.144 38.000 0.198 0.000 1.072 410 I HN 0.195 nan 8.210 nan 0.000 0.417 411 Q N 0.509 120.395 119.800 0.144 0.000 2.061 411 Q HA -0.249 4.092 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 1.766 57.655 55.803 0.143 0.000 0.846 411 Q CB 0.057 28.879 28.738 0.140 0.000 0.902 411 Q HN 0.364 nan 8.270 nan 0.000 0.421 412 R N -0.779 119.827 120.500 0.176 0.000 2.075 412 R HA -0.111 4.229 4.340 0.000 0.000 0.232 412 R C 1.983 178.432 176.300 0.248 0.000 1.126 412 R CA 1.242 57.491 56.100 0.248 0.000 0.963 412 R CB -0.299 30.187 30.300 0.310 0.000 0.858 412 R HN 0.214 nan 8.270 nan 0.000 0.435 413 F N 1.058 121.059 119.950 0.085 0.000 2.494 413 F HA -0.059 4.468 4.527 0.000 0.000 0.298 413 F C 1.381 177.273 175.800 0.154 0.000 1.106 413 F CA 1.009 59.030 58.000 0.036 0.000 1.452 413 F CB 0.051 38.927 39.000 -0.206 0.000 1.085 413 F HN -0.034 nan 8.300 nan 0.000 0.569 414 L N -0.571 120.761 121.223 0.182 0.000 2.395 414 L HA -0.020 4.320 4.340 0.000 0.000 0.218 414 L C 1.469 178.310 176.870 -0.048 0.000 1.130 414 L CA 0.345 55.252 54.840 0.112 0.000 0.826 414 L CB -0.748 41.375 42.059 0.107 0.000 0.941 414 L HN 0.114 nan 8.230 nan 0.000 0.451 415 S N -0.184 115.464 115.700 -0.088 0.000 2.632 415 S HA 0.432 4.902 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 57.554 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 0.288 nan 8.310 nan 0.000 0.547 416 Q N 0.022 119.650 119.800 -0.286 0.000 2.617 416 Q HA 0.357 4.697 4.340 0.000 0.000 0.270 416 Q C -3.322 172.511 176.000 -0.278 0.000 0.967 416 Q CA -1.659 53.995 55.803 -0.248 0.000 0.887 416 Q CB 2.017 30.675 28.738 -0.132 0.000 1.516 416 Q HN 0.532 nan 8.270 nan 0.000 0.395 417 P HA 0.288 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 -0.112 62.935 63.100 -0.087 0.000 0.773 417 P CB 0.218 31.892 31.700 -0.043 0.000 0.879 418 F N 1.698 121.653 119.950 0.009 0.000 2.399 418 F HA 0.279 4.807 4.527 0.000 0.000 0.334 418 F C 2.126 177.944 175.800 0.029 0.000 1.097 418 F CA -1.139 56.872 58.000 0.019 0.000 1.076 418 F CB 1.077 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 1.696 121.608 119.800 0.188 0.000 2.002 419 Q HA -0.133 4.208 4.340 0.000 0.000 0.204 419 Q C 1.454 177.526 176.000 0.120 0.000 0.988 419 Q CA 2.506 58.374 55.803 0.109 0.000 0.843 419 Q CB -0.181 28.588 28.738 0.051 0.000 0.908 419 Q HN 0.524 nan 8.270 nan 0.000 0.420 420 V N 0.943 120.929 119.914 0.121 0.000 2.636 420 V HA -0.261 3.859 4.120 0.000 0.000 0.258 420 V C 1.852 178.064 176.094 0.196 0.000 1.092 420 V CA 1.781 64.158 62.300 0.127 0.000 1.110 420 V CB -0.834 31.047 31.823 0.097 0.000 0.685 420 V HN 0.536 nan 8.190 nan 0.000 0.481 421 A N -1.376 121.594 122.820 0.251 0.000 2.535 421 A HA 0.243 4.563 4.320 0.000 0.000 0.273 421 A C 1.691 179.401 177.584 0.210 0.000 1.267 421 A CA -0.111 52.093 52.037 0.278 0.000 0.940 421 A CB -0.132 18.979 19.000 0.184 0.000 1.101 421 A HN 0.509 nan 8.150 nan 0.000 0.521 422 E N -0.056 120.223 120.200 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 58.107 56.400 0.079 0.000 0.801 422 E CB -0.242 29.490 29.700 0.054 0.000 0.743 422 E HN 0.468 nan 8.360 nan 0.000 0.453 423 V N 0.243 120.096 119.914 -0.100 0.000 2.828 423 V HA -0.217 3.903 4.120 0.000 0.000 0.260 423 V C 1.459 177.327 176.094 -0.377 0.000 1.101 423 V CA 1.544 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 0.197 nan 8.190 nan 0.000 0.493 424 F N 0.160 120.106 119.950 -0.006 0.000 2.637 424 F HA 0.066 4.593 4.527 0.000 0.000 0.284 424 F C 2.544 178.352 175.800 0.013 0.000 1.105 424 F CA 0.899 58.889 58.000 -0.017 0.000 1.356 424 F CB -0.654 38.305 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 0.897 63.151 62.100 0.256 0.000 1.129 425 T CB -0.344 68.669 68.868 0.243 0.000 0.899 425 T HN 0.467 nan 8.240 nan 0.000 0.491 426 G N 1.001 109.853 108.800 0.088 0.000 2.148 426 G HA2 -0.206 3.754 3.960 0.000 0.000 0.254 426 G HA3 -0.206 3.754 3.960 0.000 0.000 0.254 426 G C -0.147 174.645 174.900 -0.181 0.000 0.981 426 G CA 0.431 45.485 45.100 -0.076 0.000 0.670 426 G HN 0.846 nan 8.290 nan 0.000 0.528 427 H N -1.800 117.287 119.070 0.027 0.000 2.865 427 H HA 0.669 5.226 4.556 0.000 0.000 0.372 427 H C -0.094 175.246 175.328 0.021 0.000 1.173 427 H CA -0.998 55.063 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 1.687 123.008 121.223 0.162 0.000 2.410 428 L HA 0.302 4.642 4.340 0.000 0.000 0.273 428 L C 0.903 177.829 176.870 0.092 0.000 1.144 428 L CA 0.281 55.179 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 0.885 nan 8.230 nan 0.000 0.463 429 G N 4.335 113.188 108.800 0.088 0.000 2.414 429 G HA2 0.159 4.119 3.960 0.000 0.000 0.236 429 G HA3 0.159 4.119 3.960 0.000 0.000 0.236 429 G C -0.441 174.505 174.900 0.075 0.000 1.293 429 G CA -0.435 44.725 45.100 0.101 0.000 0.869 429 G HN 0.482 nan 8.290 nan 0.000 0.556 430 K N 0.512 120.961 120.400 0.081 0.000 2.318 430 K HA 0.494 4.814 4.320 0.000 0.000 0.249 430 K C -1.278 175.358 176.600 0.059 0.000 0.942 430 K CA -1.076 55.243 56.287 0.053 0.000 0.808 430 K CB 2.506 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 2.532 123.777 121.223 0.036 0.000 2.345 431 L HA 0.353 4.693 4.340 0.000 0.000 0.274 431 L C -1.291 175.592 176.870 0.021 0.000 0.999 431 L CA -0.728 54.127 54.840 0.025 0.000 0.849 431 L CB 1.568 43.636 42.059 0.015 0.000 1.220 431 L HN 0.281 nan 8.230 nan 0.000 0.422 432 V N 6.966 126.891 119.914 0.017 0.000 2.407 432 V HA 0.508 4.628 4.120 0.000 0.000 0.278 432 V C -1.991 174.114 176.094 0.018 0.000 1.037 432 V CA -1.570 60.741 62.300 0.019 0.000 0.900 432 V CB 1.271 33.100 31.823 0.010 0.000 0.983 432 V HN 0.664 nan 8.190 nan 0.000 0.459 433 P HA 0.126 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 -0.405 62.707 63.100 0.020 0.000 0.776 433 P CB 0.825 32.539 31.700 0.023 0.000 0.881 434 L N 4.715 125.940 121.223 0.004 0.000 1.991 434 L HA -0.267 4.073 4.340 0.000 0.000 0.221 434 L C 2.226 179.078 176.870 -0.029 0.000 1.079 434 L CA 2.346 57.171 54.840 -0.026 0.000 0.778 434 L CB -1.308 40.733 42.059 -0.030 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 -0.176 4.144 4.320 0.000 0.000 0.204 435 K C 1.623 178.244 176.600 0.035 0.000 1.047 435 K CA 1.580 57.870 56.287 0.006 0.000 0.935 435 K CB -0.426 32.084 32.500 0.018 0.000 0.728 435 K HN 0.351 nan 8.250 nan 0.000 0.452 436 E N 0.831 121.059 120.200 0.047 0.000 2.152 436 E HA -0.068 4.282 4.350 0.000 0.000 0.192 436 E C 1.889 178.565 176.600 0.127 0.000 0.983 436 E CA 1.339 57.785 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 2.156 116.782 114.554 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 0.597 62.828 62.100 0.218 0.000 1.143 437 T CB -0.039 68.910 68.868 0.135 0.000 0.866 437 T HN 0.049 nan 8.240 nan 0.000 0.428 438 I N 1.739 122.365 120.570 0.093 0.000 2.151 438 I HA -0.206 3.964 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 1.652 62.993 61.300 0.069 0.000 1.339 438 I CB -1.088 36.889 38.000 -0.039 0.000 1.039 438 I HN 0.287 nan 8.210 nan 0.000 0.409 439 K N 1.222 121.693 120.400 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 1.966 58.318 56.287 0.108 0.000 0.948 439 K CB -0.660 31.889 32.500 0.083 0.000 0.726 439 K HN 0.322 nan 8.250 nan 0.000 0.442 440 G N 0.381 109.249 108.800 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 1.300 176.137 174.900 -0.105 0.000 1.126 440 G CA 1.197 46.282 45.100 -0.026 0.000 0.754 440 G HN 0.311 nan 8.290 nan 0.000 0.583 441 F N 0.604 120.661 119.950 0.179 0.000 2.293 441 F HA 0.090 4.617 4.527 0.000 0.000 0.297 441 F C 2.995 178.838 175.800 0.072 0.000 1.089 441 F CA 1.117 59.201 58.000 0.140 0.000 1.377 441 F CB -0.342 38.749 39.000 0.152 0.000 1.051 441 F HN 0.175 nan 8.300 nan 0.000 0.511 442 Q N 0.115 120.046 119.800 0.219 0.000 1.975 442 Q HA -0.296 4.044 4.340 0.000 0.000 0.205 442 Q C 2.200 178.251 176.000 0.085 0.000 0.990 442 Q CA 2.185 58.066 55.803 0.131 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 -0.231 4.110 4.340 0.000 0.000 0.211 443 Q C 2.138 178.157 176.000 0.031 0.000 0.998 443 Q CA 1.802 57.615 55.803 0.017 0.000 0.872 443 Q CB -0.425 28.346 28.738 0.055 0.000 0.925 443 Q HN 0.446 nan 8.270 nan 0.000 0.414 444 I N 0.435 121.052 120.570 0.079 0.000 2.163 444 I HA -0.322 3.848 4.170 0.000 0.000 0.243 444 I C 2.329 178.457 176.117 0.018 0.000 1.085 444 I CA 1.184 62.503 61.300 0.032 0.000 1.347 444 I CB -0.446 37.491 38.000 -0.104 0.000 1.044 444 I HN 0.244 nan 8.210 nan 0.000 0.408 445 L N 0.730 121.987 121.223 0.057 0.000 2.012 445 L HA -0.210 4.131 4.340 0.000 0.000 0.210 445 L C 2.631 179.512 176.870 0.018 0.000 1.073 445 L CA 1.513 56.381 54.840 0.047 0.000 0.748 445 L CB -0.621 41.482 42.059 0.074 0.000 0.891 445 L HN 0.271 nan 8.230 nan 0.000 0.431 446 A N -0.428 122.400 122.820 0.013 0.000 2.248 446 A HA 0.111 4.431 4.320 0.000 0.000 0.210 446 A C 1.665 179.233 177.584 -0.027 0.000 1.174 446 A CA 0.870 52.903 52.037 -0.008 0.000 0.750 446 A CB -0.842 18.149 19.000 -0.015 0.000 0.780 446 A HN 0.639 nan 8.150 nan 0.000 0.478 447 G N -0.694 108.091 108.800 -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 0.366 175.235 174.900 -0.052 0.000 0.994 447 G CA 0.568 45.655 45.100 -0.022 0.000 0.698 447 G HN 0.669 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 0.149 4.499 4.350 0.000 0.000 0.196 448 E C 0.403 176.694 176.600 -0.515 0.000 1.066 448 E CA 0.411 56.602 56.400 -0.348 0.000 0.871 448 E CB 0.081 29.468 29.700 -0.522 0.000 0.863 448 E HN 0.711 nan 8.360 nan 0.000 0.520 449 Y N -0.904 119.433 120.300 0.062 0.000 2.809 449 Y HA 0.122 4.673 4.550 0.000 0.000 0.251 449 Y C 0.435 176.253 175.900 -0.136 0.000 1.136 449 Y CA -0.819 57.216 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 -0.301 120.171 120.400 0.119 0.000 2.351 450 D HA -0.148 4.493 4.640 0.000 0.000 0.216 450 D C 1.977 178.345 176.300 0.112 0.000 0.968 450 D CA 1.324 55.378 54.000 0.090 0.000 0.899 450 D CB -0.070 40.775 40.800 0.075 0.000 0.907 450 D HN 0.601 nan 8.370 nan 0.000 0.514 451 H N -0.660 118.477 119.070 0.112 0.000 2.465 451 H HA 0.115 4.671 4.556 0.000 0.000 0.289 451 H C 1.081 176.471 175.328 0.104 0.000 1.022 451 H CA -0.080 56.020 56.048 0.086 0.000 1.340 451 H CB -0.385 29.415 29.762 0.063 0.000 1.437 451 H HN 0.078 nan 8.280 nan 0.000 0.539 452 L N 2.909 123.930 121.223 -0.338 0.000 2.473 452 L HA 0.177 4.517 4.340 0.000 0.000 0.268 452 L C -1.974 174.918 176.870 0.036 0.000 1.215 452 L CA -1.797 52.944 54.840 -0.164 0.000 0.823 452 L CB 0.178 42.041 42.059 -0.325 0.000 1.099 452 L HN 0.131 nan 8.230 nan 0.000 0.483 453 P HA 0.175 nan 4.420 nan 0.000 0.279 453 P C -0.180 177.228 177.300 0.180 0.000 1.252 453 P CA -0.542 62.598 63.100 0.066 0.000 0.811 453 P CB 0.901 32.608 31.700 0.011 0.000 1.035 454 E N 0.744 121.071 120.200 0.212 0.000 2.033 454 E HA -0.257 4.094 4.350 0.000 0.000 0.199 454 E C 1.887 178.672 176.600 0.307 0.000 1.011 454 E CA 1.311 57.901 56.400 0.316 0.000 0.815 454 E CB -0.299 29.486 29.700 0.142 0.000 0.755 454 E HN 0.523 nan 8.360 nan 0.000 0.451 455 Q N 0.514 120.393 119.800 0.132 0.000 2.325 455 Q HA -0.206 4.134 4.340 0.000 0.000 0.211 455 Q C 2.054 178.089 176.000 0.058 0.000 0.988 455 Q CA 1.529 57.386 55.803 0.089 0.000 0.887 455 Q CB -0.572 28.182 28.738 0.027 0.000 0.915 455 Q HN 0.288 nan 8.270 nan 0.000 0.440 456 A N 0.576 123.347 122.820 -0.082 0.000 1.969 456 A HA -0.054 4.266 4.320 0.000 0.000 0.218 456 A C 1.715 179.095 177.584 -0.340 0.000 1.169 456 A CA 0.946 52.796 52.037 -0.312 0.000 0.635 456 A CB -0.645 17.989 19.000 -0.609 0.000 0.810 456 A HN 0.315 nan 8.150 nan 0.000 0.445 457 F N -2.200 117.754 119.950 0.007 0.000 2.367 457 F HA 0.115 4.642 4.527 0.000 0.000 0.298 457 F C 1.045 176.935 175.800 0.151 0.000 1.094 457 F CA -0.058 57.977 58.000 0.059 0.000 1.409 457 F CB -0.595 38.427 39.000 0.038 0.000 1.064 457 F HN 0.264 nan 8.300 nan 0.000 0.528 458 Y N 1.845 122.247 120.300 0.170 0.000 2.610 458 Y HA 0.110 4.661 4.550 0.000 0.000 0.332 458 Y C 0.773 176.672 175.900 -0.002 0.000 1.201 458 Y CA -0.968 57.185 58.100 0.088 0.000 1.465 458 Y CB 0.210 38.712 38.460 0.069 0.000 1.283 458 Y HN 0.009 nan 8.280 nan 0.000 0.563 459 M N 5.868 125.073 119.600 -0.659 0.000 2.852 459 M HA -0.166 4.314 4.480 0.000 0.000 0.176 459 M C -1.241 174.843 176.300 -0.360 0.000 1.160 459 M CA 1.127 56.037 55.300 -0.649 0.000 0.702 459 M CB -2.379 29.689 32.600 -0.887 0.000 1.193 459 M HN 0.533 nan 8.290 nan 0.000 0.775 460 V N -1.869 117.925 119.914 -0.199 0.000 3.182 460 V HA 1.084 5.204 4.120 0.000 0.000 0.308 460 V C 0.439 176.491 176.094 -0.071 0.000 1.240 460 V CA -0.062 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 0.501 nan 8.190 nan 0.000 0.446 461 G N 0.024 108.818 108.800 -0.011 0.000 2.992 461 G HA2 0.501 4.462 3.960 0.000 0.000 0.195 461 G HA3 0.501 4.462 3.960 0.000 0.000 0.195 461 G C -2.280 172.664 174.900 0.074 0.000 2.032 461 G CA -0.352 44.741 45.100 -0.012 0.000 0.831 461 G HN 0.787 nan 8.290 nan 0.000 0.647 462 P HA 0.090 nan 4.420 nan 0.000 0.270 462 P C 0.727 178.149 177.300 0.204 0.000 1.223 462 P CA -0.350 62.855 63.100 0.175 0.000 0.785 462 P CB 1.329 33.079 31.700 0.084 0.000 0.923 463 I N 1.527 122.166 120.570 0.114 0.000 2.286 463 I HA -0.272 3.898 4.170 0.000 0.000 0.248 463 I C 1.933 177.921 176.117 -0.216 0.000 1.115 463 I CA 1.775 62.926 61.300 -0.248 0.000 1.392 463 I CB -0.555 37.206 38.000 -0.398 0.000 1.065 463 I HN 0.301 nan 8.210 nan 0.000 0.418 464 E N 0.608 120.756 120.200 -0.086 0.000 2.171 464 E HA -0.260 4.090 4.350 0.000 0.000 0.197 464 E C 1.980 178.526 176.600 -0.089 0.000 0.997 464 E CA 1.715 58.073 56.400 -0.070 0.000 0.810 464 E CB -0.261 29.431 29.700 -0.014 0.000 0.738 464 E HN 0.627 nan 8.360 nan 0.000 0.467 465 E N -0.057 120.104 120.200 -0.064 0.000 2.285 465 E HA -0.028 4.322 4.350 0.000 0.000 0.194 465 E C 1.932 178.456 176.600 -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 29.708 29.700 -0.012 0.000 0.782 465 E HN 0.285 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 -0.517 0.000 1.170 466 A CA 0.559 52.349 52.037 -0.411 0.000 0.645 466 A CB -0.278 18.372 19.000 -0.584 0.000 0.816 466 A HN 0.083 nan 8.150 nan 0.000 0.447 467 V N -0.238 119.426 119.914 -0.417 0.000 2.323 467 V HA -0.185 3.936 4.120 0.000 0.000 0.244 467 V C 3.046 179.033 176.094 -0.179 0.000 1.041 467 V CA 1.776 63.893 62.300 -0.305 0.000 1.025 467 V CB -1.010 30.702 31.823 -0.185 0.000 0.656 467 V HN 0.596 nan 8.190 nan 0.000 0.451 468 A N -0.001 122.737 122.820 -0.135 0.000 1.851 468 A HA -0.321 3.999 4.320 0.000 0.000 0.216 468 A C 2.305 179.836 177.584 -0.088 0.000 1.195 468 A CA 2.456 54.444 52.037 -0.082 0.000 0.622 468 A CB -0.697 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 -0.359 119.976 120.400 -0.108 0.000 2.173 469 K HA -0.201 4.119 4.320 0.000 0.000 0.207 469 K C 2.007 178.545 176.600 -0.103 0.000 1.046 469 K CA 1.469 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 0.421 nan 8.250 nan 0.000 0.453 470 A N 1.249 123.973 122.820 -0.160 0.000 1.930 470 A HA -0.166 4.155 4.320 0.000 0.000 0.217 470 A C 1.586 179.127 177.584 -0.070 0.000 1.175 470 A CA 1.846 53.797 52.037 -0.143 0.000 0.627 470 A CB -0.405 18.472 19.000 -0.205 0.000 0.815 470 A HN 0.388 nan 8.150 nan 0.000 0.443 471 D N -0.359 120.007 120.400 -0.056 0.000 2.097 471 D HA -0.135 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 1.534 55.518 54.000 -0.027 0.000 0.826 471 D CB -0.329 40.458 40.800 -0.021 0.000 0.973 471 D HN 0.515 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 -0.071 4.249 4.320 0.000 0.000 0.206 472 K C 1.987 178.580 176.600 -0.012 0.000 1.048 472 K CA 0.703 56.982 56.287 -0.014 0.000 0.933 472 K CB -0.038 32.456 32.500 -0.010 0.000 0.721 472 K HN 0.129 nan 8.250 nan 0.000 0.447 473 L N 0.255 121.466 121.223 -0.020 0.000 2.395 473 L HA 0.089 4.430 4.340 0.000 0.000 0.218 473 L C 0.972 177.837 176.870 -0.010 0.000 1.130 473 L CA 0.247 55.078 54.840 -0.014 0.000 0.826 473 L CB -0.941 41.104 42.059 -0.023 0.000 0.941 473 L HN 0.309 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