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 1j11_1_C DATA FIRST_RESID 1 DATA SEQUENCE AVNGKGMNPD YKAYLMAPLK KIPEVTNWET FENDLRWAKQ NGFYAITVDF DATA SEQUENCE WWGDMEKNGD QQFDFSYAQR FAQSVKNAGM KMIPIISTHQ cGGNVGDDcN DATA SEQUENCE VPIPSWVWNQ KSDDSLYFKS ETGTVNKETL NPLASDVIRK EYGELYTAFA DATA SEQUENCE AAMKPYKDVI AKIYLSGGPA GELRYPSYTT SDGTGYPSRG KFQAYTEFAK DATA SEQUENCE SKFRLWVLNK YGSLNEVNKA WGTKLISELA ILPPSDGEQF LMNGYLSMYG DATA SEQUENCE KDYLEWYQGI LENHTKLIGE LAHNAFDTTF QVPIGAKIAG VHWQYNNPTI DATA SEQUENCE PHGAEKPAGY NDYSHLLDAF KSAKLDVTFT CLEMTDKGSY PEYSMPKTLV DATA SEQUENCE QNIATLANEK GIVLNGENAL SIGNEEEYKR VAEMAFNYNF AGFTLLRYQD DATA SEQUENCE VMYNNSLMGK FKDLLGVTPV MQTIVVKNVP TTIGDTVYIT GNRAELGSWD DATA SEQUENCE TKQYPIQLYY DSHSNDWRGN VVLPAERNIE FKAFIKSKDG TVKSWQTIQQ DATA SEQUENCE SWNPVPLKTT SHTSSW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.565 177.584 -0.032 0.000 1.274 1 A CA 0.000 51.954 52.037 -0.139 0.000 0.836 1 A CB 0.000 18.931 19.000 -0.114 0.000 0.831 2 V N -0.665 119.182 119.914 -0.113 0.000 3.178 2 V HA 0.397 4.517 4.120 -0.000 0.000 0.306 2 V C 0.568 176.681 176.094 0.032 0.000 1.107 2 V CA 0.623 62.915 62.300 -0.013 0.000 1.195 2 V CB -0.209 31.548 31.823 -0.110 0.000 0.993 2 V HN 1.578 nan 8.190 nan 0.000 0.493 3 N N 1.842 120.584 118.700 0.071 0.000 2.740 3 N HA -0.148 4.592 4.740 -0.000 0.000 0.248 3 N C 1.056 176.634 175.510 0.114 0.000 1.062 3 N CA 1.883 54.986 53.050 0.090 0.000 0.704 3 N CB -1.574 36.956 38.487 0.072 0.000 0.968 3 N HN 2.054 nan 8.380 nan 0.000 0.547 4 G N -2.011 106.876 108.800 0.145 0.000 2.196 4 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.268 4 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.268 4 G C 0.307 175.266 174.900 0.098 0.000 0.975 4 G CA 1.497 46.692 45.100 0.157 0.000 0.648 4 G HN 0.840 nan 8.290 nan 0.000 0.538 5 K N 0.065 120.509 120.400 0.074 0.000 2.177 5 K HA 0.831 5.151 4.320 -0.000 0.000 0.238 5 K C 0.964 177.572 176.600 0.013 0.000 1.015 5 K CA -0.271 56.045 56.287 0.047 0.000 0.922 5 K CB 0.558 33.084 32.500 0.044 0.000 1.127 5 K HN 0.554 nan 8.250 nan 0.000 0.469 6 G N -0.271 108.527 108.800 -0.005 0.000 2.736 6 G HA2 0.441 4.401 3.960 -0.000 0.000 0.229 6 G HA3 0.441 4.401 3.960 -0.000 0.000 0.229 6 G C -0.275 174.604 174.900 -0.036 0.000 1.380 6 G CA -1.102 43.974 45.100 -0.041 0.000 1.040 6 G HN 0.833 nan 8.290 nan 0.000 0.568 7 M N -0.293 119.267 119.600 -0.066 0.000 2.198 7 M HA 0.296 4.775 4.480 -0.000 0.000 0.315 7 M C 0.090 176.405 176.300 0.026 0.000 1.134 7 M CA -0.522 54.769 55.300 -0.016 0.000 1.171 7 M CB 0.357 32.864 32.600 -0.155 0.000 1.413 7 M HN 0.349 nan 8.290 nan 0.000 0.467 8 N N 2.514 121.280 118.700 0.110 0.000 2.475 8 N HA 0.166 4.906 4.740 -0.000 0.000 0.267 8 N C -1.832 173.740 175.510 0.102 0.000 1.169 8 N CA -1.641 51.480 53.050 0.119 0.000 0.947 8 N CB 0.832 39.431 38.487 0.186 0.000 1.061 8 N HN 0.495 nan 8.380 nan 0.000 0.466 9 P HA -0.042 nan 4.420 nan 0.000 0.226 9 P C -0.184 177.138 177.300 0.037 0.000 1.153 9 P CA 0.955 64.071 63.100 0.027 0.000 0.777 9 P CB 0.506 32.210 31.700 0.007 0.000 0.794 10 D N -1.675 118.760 120.400 0.058 0.000 2.349 10 D HA -0.009 4.631 4.640 -0.000 0.000 0.214 10 D C 0.560 176.876 176.300 0.028 0.000 1.063 10 D CA -0.377 53.636 54.000 0.023 0.000 0.847 10 D CB -0.677 40.134 40.800 0.018 0.000 0.933 10 D HN 0.215 nan 8.370 nan 0.000 0.513 11 Y N 2.387 122.682 120.300 -0.008 0.000 2.810 11 Y HA -0.047 4.503 4.550 -0.000 0.000 0.332 11 Y C -0.004 175.846 175.900 -0.083 0.000 1.243 11 Y CA 0.446 58.552 58.100 0.010 0.000 1.537 11 Y CB 0.236 38.765 38.460 0.114 0.000 1.265 11 Y HN -0.309 nan 8.280 nan 0.000 0.572 12 K N 4.274 124.081 120.400 -0.987 0.000 2.502 12 K HA 0.794 5.114 4.320 -0.000 0.000 0.257 12 K C -1.508 174.336 176.600 -1.259 0.000 0.938 12 K CA -0.903 54.824 56.287 -0.933 0.000 0.819 12 K CB 1.992 34.078 32.500 -0.690 0.000 1.333 12 K HN 0.639 nan 8.250 nan 0.000 0.434 13 A N 2.274 124.635 122.820 -0.764 0.000 2.330 13 A HA 0.701 5.020 4.320 -0.000 0.000 0.327 13 A C -1.471 176.031 177.584 -0.137 0.000 1.155 13 A CA -0.463 51.340 52.037 -0.391 0.000 0.803 13 A CB 0.273 19.268 19.000 -0.009 0.000 1.208 13 A HN 0.652 nan 8.150 nan 0.000 0.477 14 Y N 0.850 121.354 120.300 0.340 0.000 2.524 14 Y HA 0.649 5.199 4.550 -0.000 0.000 0.344 14 Y C -0.333 175.689 175.900 0.204 0.000 1.012 14 Y CA -1.198 57.077 58.100 0.293 0.000 1.068 14 Y CB 2.016 40.560 38.460 0.140 0.000 1.249 14 Y HN 0.598 nan 8.280 nan 0.000 0.468 15 L N 2.820 124.092 121.223 0.082 0.000 2.341 15 L HA 0.542 4.882 4.340 -0.000 0.000 0.278 15 L C -0.962 175.869 176.870 -0.066 0.000 1.005 15 L CA -0.896 53.770 54.840 -0.291 0.000 0.818 15 L CB 1.504 43.013 42.059 -0.917 0.000 1.259 15 L HN 0.660 nan 8.230 nan 0.000 0.418 16 M N 4.297 123.870 119.600 -0.045 0.000 2.185 16 M HA 0.433 4.913 4.480 -0.000 0.000 0.357 16 M C 0.430 176.772 176.300 0.069 0.000 1.260 16 M CA -0.198 55.101 55.300 -0.001 0.000 1.124 16 M CB 1.196 33.787 32.600 -0.015 0.000 1.600 16 M HN 0.843 nan 8.290 nan 0.000 0.467 17 A N 5.716 128.565 122.820 0.049 0.000 2.296 17 A HA 0.612 4.932 4.320 -0.000 0.000 0.264 17 A C -2.467 175.088 177.584 -0.047 0.000 1.097 17 A CA -1.328 50.725 52.037 0.026 0.000 0.811 17 A CB -0.390 18.644 19.000 0.057 0.000 1.072 17 A HN 0.460 nan 8.150 nan 0.000 0.495 18 P HA 0.076 nan 4.420 nan 0.000 0.271 18 P C 0.578 177.873 177.300 -0.008 0.000 1.233 18 P CA -0.356 62.700 63.100 -0.074 0.000 0.789 18 P CB 0.353 31.959 31.700 -0.157 0.000 0.951 19 L N 0.437 121.693 121.223 0.056 0.000 2.131 19 L HA 0.040 4.379 4.340 -0.000 0.000 0.206 19 L C 1.053 178.016 176.870 0.156 0.000 1.087 19 L CA 1.708 56.645 54.840 0.162 0.000 0.767 19 L CB -0.976 41.167 42.059 0.140 0.000 0.917 19 L HN 0.311 nan 8.230 nan 0.000 0.441 20 K N 0.031 120.450 120.400 0.032 0.000 2.107 20 K HA 0.169 4.489 4.320 -0.000 0.000 0.251 20 K C 0.145 176.710 176.600 -0.059 0.000 1.012 20 K CA -0.635 55.638 56.287 -0.023 0.000 0.920 20 K CB 0.682 33.147 32.500 -0.058 0.000 1.033 20 K HN -0.061 nan 8.250 nan 0.000 0.478 21 K N 1.478 121.796 120.400 -0.136 0.000 2.436 21 K HA 0.002 4.321 4.320 -0.000 0.000 0.275 21 K C 1.382 177.887 176.600 -0.158 0.000 0.999 21 K CA -0.383 55.777 56.287 -0.211 0.000 0.980 21 K CB 0.351 32.610 32.500 -0.401 0.000 0.919 21 K HN 0.393 nan 8.250 nan 0.000 0.484 22 I N 3.797 124.269 120.570 -0.163 0.000 2.113 22 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 22 I C -0.833 174.986 176.117 -0.497 0.000 1.064 22 I CA 1.622 62.620 61.300 -0.504 0.000 1.320 22 I CB -2.020 35.322 38.000 -1.096 0.000 1.028 22 I HN 0.554 nan 8.210 nan 0.000 0.406 23 P HA -0.167 nan 4.420 nan 0.000 0.220 23 P C 0.928 178.118 177.300 -0.182 0.000 1.144 23 P CA 1.333 64.223 63.100 -0.350 0.000 0.800 23 P CB -0.170 31.423 31.700 -0.178 0.000 0.772 24 E N -1.752 118.356 120.200 -0.154 0.000 2.465 24 E HA 0.118 4.468 4.350 -0.000 0.000 0.195 24 E C 0.789 177.336 176.600 -0.089 0.000 1.028 24 E CA 0.066 56.406 56.400 -0.101 0.000 0.899 24 E CB -0.021 29.627 29.700 -0.085 0.000 1.032 24 E HN 0.058 nan 8.360 nan 0.000 0.468 25 V N -0.528 119.321 119.914 -0.108 0.000 3.431 25 V HA 0.147 4.267 4.120 -0.000 0.000 0.255 25 V C 0.626 176.698 176.094 -0.037 0.000 1.403 25 V CA 0.994 63.257 62.300 -0.062 0.000 1.101 25 V CB 1.387 33.171 31.823 -0.064 0.000 0.891 25 V HN 0.406 nan 8.190 nan 0.000 0.446 26 T N 0.136 114.639 114.554 -0.085 0.000 2.659 26 T HA 0.334 4.684 4.350 -0.000 0.000 0.289 26 T C -1.943 172.680 174.700 -0.128 0.000 1.480 26 T CA 0.203 62.278 62.100 -0.042 0.000 1.039 26 T CB 1.063 69.978 68.868 0.078 0.000 1.886 26 T HN 0.477 nan 8.240 nan 0.000 0.444 27 N N -1.020 117.629 118.700 -0.086 0.000 2.405 27 N HA 0.439 5.179 4.740 -0.000 0.000 0.285 27 N C 0.163 175.641 175.510 -0.054 0.000 1.262 27 N CA -0.933 52.034 53.050 -0.138 0.000 0.773 27 N CB 0.398 38.883 38.487 -0.003 0.000 1.490 27 N HN 0.752 nan 8.380 nan 0.000 0.486 28 W N -0.196 121.176 121.300 0.120 0.000 2.350 28 W HA -0.088 4.572 4.660 -0.000 0.000 0.289 28 W C 1.450 178.074 176.519 0.176 0.000 1.215 28 W CA 0.659 58.101 57.345 0.163 0.000 1.236 28 W CB -0.079 29.443 29.460 0.103 0.000 1.130 28 W HN 0.612 nan 8.180 nan 0.000 0.541 29 E N -0.112 120.281 120.200 0.322 0.000 2.023 29 E HA -0.181 4.168 4.350 -0.000 0.000 0.196 29 E C 2.104 178.815 176.600 0.184 0.000 1.003 29 E CA 2.399 58.924 56.400 0.210 0.000 0.809 29 E CB -1.221 28.567 29.700 0.148 0.000 0.755 29 E HN 0.077 nan 8.360 nan 0.000 0.449 30 T N 0.973 115.635 114.554 0.180 0.000 2.777 30 T HA -0.129 4.220 4.350 -0.000 0.000 0.266 30 T C 1.603 176.445 174.700 0.237 0.000 1.040 30 T CA 1.107 63.312 62.100 0.175 0.000 1.141 30 T CB -0.518 68.451 68.868 0.169 0.000 0.868 30 T HN 0.135 nan 8.240 nan 0.000 0.444 31 F N 2.339 122.368 119.950 0.132 0.000 2.120 31 F HA -0.161 4.365 4.527 -0.000 0.000 0.300 31 F C 2.143 178.028 175.800 0.143 0.000 1.095 31 F CA 1.434 59.527 58.000 0.154 0.000 1.249 31 F CB -0.442 38.613 39.000 0.090 0.000 0.995 31 F HN 0.213 nan 8.300 nan 0.000 0.480 32 E N -0.245 119.973 120.200 0.031 0.000 2.110 32 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 32 E C 1.918 178.470 176.600 -0.079 0.000 0.988 32 E CA 1.189 57.524 56.400 -0.109 0.000 0.804 32 E CB -0.244 29.471 29.700 0.025 0.000 0.745 32 E HN 0.462 nan 8.360 nan 0.000 0.458 33 N N 1.077 119.782 118.700 0.007 0.000 2.216 33 N HA -0.119 4.621 4.740 -0.000 0.000 0.183 33 N C 1.243 176.780 175.510 0.045 0.000 1.017 33 N CA 0.936 54.001 53.050 0.026 0.000 0.861 33 N CB -0.191 38.317 38.487 0.035 0.000 0.986 33 N HN 0.132 nan 8.380 nan 0.000 0.428 34 D N 0.977 121.403 120.400 0.043 0.000 2.178 34 D HA -0.065 4.575 4.640 -0.000 0.000 0.201 34 D C 2.067 178.361 176.300 -0.010 0.000 0.980 34 D CA 0.452 54.487 54.000 0.059 0.000 0.842 34 D CB -0.151 40.723 40.800 0.123 0.000 0.948 34 D HN 0.257 nan 8.370 nan 0.000 0.472 35 L N 0.044 121.181 121.223 -0.143 0.000 2.156 35 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 35 L C 2.461 179.299 176.870 -0.052 0.000 1.095 35 L CA 0.729 55.460 54.840 -0.182 0.000 0.770 35 L CB -0.100 41.729 42.059 -0.384 0.000 0.914 35 L HN -0.065 nan 8.230 nan 0.000 0.439 36 R N -0.886 119.616 120.500 0.005 0.000 2.090 36 R HA -0.186 4.154 4.340 -0.000 0.000 0.228 36 R C 2.154 178.559 176.300 0.176 0.000 1.110 36 R CA 1.458 57.597 56.100 0.065 0.000 0.973 36 R CB -0.354 29.984 30.300 0.063 0.000 0.869 36 R HN 0.508 nan 8.270 nan 0.000 0.440 37 W N 1.304 122.582 121.300 -0.036 0.000 2.358 37 W HA -0.212 4.448 4.660 -0.001 0.000 0.303 37 W C 1.920 178.451 176.519 0.020 0.000 1.208 37 W CA 1.151 58.488 57.345 -0.014 0.000 1.274 37 W CB -0.042 29.395 29.460 -0.038 0.000 1.138 37 W HN 0.154 nan 8.180 nan 0.000 0.515 38 A N 0.735 123.554 122.820 -0.001 0.000 1.902 38 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 38 A C 1.954 179.593 177.584 0.091 0.000 1.181 38 A CA 1.998 54.017 52.037 -0.030 0.000 0.623 38 A CB -1.014 17.912 19.000 -0.124 0.000 0.818 38 A HN 0.369 nan 8.150 nan 0.000 0.443 39 K N -0.451 119.983 120.400 0.057 0.000 2.103 39 K HA -0.201 4.118 4.320 -0.000 0.000 0.207 39 K C 2.145 178.759 176.600 0.024 0.000 1.048 39 K CA 1.698 58.022 56.287 0.061 0.000 0.930 39 K CB -0.170 32.350 32.500 0.034 0.000 0.716 39 K HN 0.647 nan 8.250 nan 0.000 0.444 40 Q N -0.262 119.530 119.800 -0.013 0.000 2.230 40 Q HA -0.029 4.311 4.340 -0.000 0.000 0.202 40 Q C 0.869 176.767 176.000 -0.170 0.000 0.963 40 Q CA 0.669 56.440 55.803 -0.053 0.000 0.866 40 Q CB 0.153 28.903 28.738 0.020 0.000 0.931 40 Q HN 0.333 nan 8.270 nan 0.000 0.452 41 N N -0.628 117.917 118.700 -0.259 0.000 2.313 41 N HA 0.049 4.789 4.740 -0.000 0.000 0.207 41 N C 0.551 175.950 175.510 -0.185 0.000 1.141 41 N CA 0.788 53.672 53.050 -0.277 0.000 0.830 41 N CB 1.337 39.576 38.487 -0.413 0.000 1.008 41 N HN 0.375 nan 8.380 nan 0.000 0.481 42 G N 0.503 109.229 108.800 -0.123 0.000 2.194 42 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.236 42 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.236 42 G C -0.100 174.738 174.900 -0.104 0.000 0.987 42 G CA -0.512 44.516 45.100 -0.121 0.000 0.635 42 G HN 0.227 nan 8.290 nan 0.000 0.520 43 F N 0.233 120.227 119.950 0.073 0.000 2.456 43 F HA 0.560 5.087 4.527 -0.000 0.000 0.358 43 F C 1.296 177.172 175.800 0.127 0.000 1.095 43 F CA -0.215 57.834 58.000 0.082 0.000 1.216 43 F CB 0.772 39.767 39.000 -0.009 0.000 1.125 43 F HN 0.094 nan 8.300 nan 0.000 0.549 44 Y N 2.390 122.828 120.300 0.230 0.000 2.389 44 Y HA 0.552 5.102 4.550 -0.000 0.000 0.292 44 Y C 0.578 176.619 175.900 0.236 0.000 1.117 44 Y CA 0.649 58.860 58.100 0.184 0.000 1.195 44 Y CB 0.272 38.815 38.460 0.139 0.000 1.076 44 Y HN 0.511 nan 8.280 nan 0.000 0.548 45 A N 0.064 123.148 122.820 0.439 0.000 2.609 45 A HA 0.548 4.868 4.320 -0.000 0.000 0.291 45 A C -1.996 175.730 177.584 0.237 0.000 1.096 45 A CA -0.666 51.515 52.037 0.240 0.000 0.684 45 A CB 0.730 19.863 19.000 0.221 0.000 1.282 45 A HN 0.192 nan 8.150 nan 0.000 0.412 46 I N 1.772 122.420 120.570 0.130 0.000 2.389 46 I HA 0.512 4.682 4.170 -0.000 0.000 0.288 46 I C 0.380 176.552 176.117 0.091 0.000 0.999 46 I CA -0.200 61.178 61.300 0.131 0.000 1.129 46 I CB 1.688 39.809 38.000 0.200 0.000 1.288 46 I HN 0.846 nan 8.210 nan 0.000 0.444 47 T N 4.558 119.131 114.554 0.033 0.000 2.897 47 T HA 0.524 4.873 4.350 -0.000 0.000 0.294 47 T C -0.543 174.075 174.700 -0.138 0.000 1.004 47 T CA -0.548 61.520 62.100 -0.053 0.000 1.106 47 T CB 1.604 70.454 68.868 -0.030 0.000 0.949 47 T HN 0.431 nan 8.240 nan 0.000 0.520 48 V N 2.345 122.059 119.914 -0.335 0.000 2.808 48 V HA 0.368 4.487 4.120 -0.000 0.000 0.308 48 V C -1.450 174.107 176.094 -0.896 0.000 1.099 48 V CA -0.945 60.977 62.300 -0.629 0.000 0.920 48 V CB 2.144 33.369 31.823 -0.996 0.000 1.014 48 V HN 1.068 nan 8.190 nan 0.000 0.425 49 D N 5.989 125.878 120.400 -0.852 0.000 2.317 49 D HA 0.301 4.941 4.640 -0.000 0.000 0.252 49 D C -0.874 174.707 176.300 -1.199 0.000 1.174 49 D CA 0.536 53.886 54.000 -1.084 0.000 0.866 49 D CB 1.132 41.072 40.800 -1.434 0.000 1.127 49 D HN 0.462 nan 8.370 nan 0.000 0.467 50 F N 1.913 121.439 119.950 -0.708 0.000 2.325 50 F HA 0.246 4.773 4.527 -0.000 0.000 0.369 50 F C 0.042 175.593 175.800 -0.415 0.000 1.095 50 F CA -1.272 56.486 58.000 -0.402 0.000 1.082 50 F CB 0.701 39.604 39.000 -0.162 0.000 1.289 50 F HN 0.219 nan 8.300 nan 0.000 0.462 51 W N 3.687 125.064 121.300 0.127 0.000 2.253 51 W HA -0.000 4.659 4.660 -0.000 0.000 0.322 51 W C 0.931 177.560 176.519 0.183 0.000 1.342 51 W CA -0.610 56.769 57.345 0.057 0.000 1.218 51 W CB 0.371 29.825 29.460 -0.010 0.000 1.205 51 W HN 0.637 nan 8.180 nan 0.000 0.551 52 W N 2.751 124.159 121.300 0.180 0.000 2.350 52 W HA -0.125 4.535 4.660 -0.000 0.000 0.289 52 W C 1.874 178.470 176.519 0.128 0.000 1.215 52 W CA 1.923 59.341 57.345 0.122 0.000 1.236 52 W CB -0.927 28.559 29.460 0.043 0.000 1.130 52 W HN 0.483 nan 8.180 nan 0.000 0.541 53 G N -0.399 108.543 108.800 0.235 0.000 2.470 53 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 53 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 53 G C 1.171 176.128 174.900 0.095 0.000 1.121 53 G CA 1.271 46.396 45.100 0.041 0.000 0.766 53 G HN 0.223 nan 8.290 nan 0.000 0.553 54 D N -0.098 120.423 120.400 0.201 0.000 2.323 54 D HA 0.089 4.729 4.640 -0.000 0.000 0.218 54 D C 2.618 179.017 176.300 0.165 0.000 0.973 54 D CA 0.288 54.388 54.000 0.166 0.000 0.890 54 D CB -0.056 40.866 40.800 0.203 0.000 1.011 54 D HN 0.292 nan 8.370 nan 0.000 0.499 55 M N -0.047 119.693 119.600 0.234 0.000 2.349 55 M HA 0.010 4.490 4.480 -0.000 0.000 0.266 55 M C 0.937 177.356 176.300 0.198 0.000 1.076 55 M CA 1.021 56.417 55.300 0.161 0.000 1.126 55 M CB 0.345 33.088 32.600 0.238 0.000 1.392 55 M HN -0.172 nan 8.290 nan 0.000 0.440 56 E N 0.459 120.848 120.200 0.315 0.000 4.120 56 E HA 0.067 4.417 4.350 -0.000 0.000 0.202 56 E C 0.762 177.532 176.600 0.283 0.000 1.067 56 E CA -0.095 56.478 56.400 0.287 0.000 1.424 56 E CB 0.579 30.622 29.700 0.573 0.000 1.164 56 E HN 0.187 nan 8.360 nan 0.000 0.439 57 K N 0.506 121.003 120.400 0.162 0.000 1.985 57 K HA -0.133 4.186 4.320 -0.000 0.000 0.210 57 K C 1.126 177.848 176.600 0.203 0.000 1.047 57 K CA 2.034 58.406 56.287 0.141 0.000 0.932 57 K CB 0.062 32.603 32.500 0.069 0.000 0.716 57 K HN 0.204 nan 8.250 nan 0.000 0.439 58 N N -0.632 118.106 118.700 0.064 0.000 2.381 58 N HA 0.003 4.743 4.740 -0.000 0.000 0.182 58 N C 0.399 175.779 175.510 -0.215 0.000 1.025 58 N CA 0.627 53.663 53.050 -0.024 0.000 0.888 58 N CB 0.427 38.878 38.487 -0.061 0.000 0.965 58 N HN 0.341 nan 8.380 nan 0.000 0.438 59 G N -0.373 108.109 108.800 -0.530 0.000 2.316 59 G HA2 0.029 3.988 3.960 -0.000 0.000 0.296 59 G HA3 0.029 3.988 3.960 -0.000 0.000 0.296 59 G C -2.067 171.948 174.900 -1.475 0.000 1.399 59 G CA -0.935 43.414 45.100 -1.252 0.000 0.833 59 G HN -0.051 nan 8.290 nan 0.000 0.565 60 D N 0.685 120.032 120.400 -1.755 0.000 2.487 60 D HA 0.333 4.973 4.640 -0.000 0.000 0.243 60 D C 1.004 176.914 176.300 -0.650 0.000 1.154 60 D CA 1.087 54.377 54.000 -1.182 0.000 0.876 60 D CB 0.493 40.844 40.800 -0.747 0.000 1.161 60 D HN 0.467 nan 8.370 nan 0.000 0.478 61 Q N 1.426 120.856 119.800 -0.618 0.000 2.460 61 Q HA -0.257 4.083 4.340 -0.000 0.000 0.248 61 Q C -0.576 174.959 176.000 -0.774 0.000 0.847 61 Q CA 0.878 56.240 55.803 -0.736 0.000 1.214 61 Q CB -1.888 26.690 28.738 -0.268 0.000 1.523 61 Q HN 0.761 nan 8.270 nan 0.000 0.602 62 Q N 0.172 119.546 119.800 -0.710 0.000 2.771 62 Q HA 0.409 4.749 4.340 -0.000 0.000 0.239 62 Q C -0.287 175.496 176.000 -0.361 0.000 1.231 62 Q CA -0.187 55.367 55.803 -0.416 0.000 1.056 62 Q CB 0.075 28.626 28.738 -0.311 0.000 1.284 62 Q HN 0.155 nan 8.270 nan 0.000 0.558 63 F N 0.703 120.604 119.950 -0.082 0.000 2.406 63 F HA 0.207 4.734 4.527 -0.000 0.000 0.327 63 F C 0.764 176.386 175.800 -0.296 0.000 1.153 63 F CA -0.401 57.443 58.000 -0.261 0.000 1.218 63 F CB 0.794 39.577 39.000 -0.363 0.000 1.215 63 F HN 0.228 nan 8.300 nan 0.000 0.570 64 D N 1.396 121.641 120.400 -0.258 0.000 2.319 64 D HA 0.217 4.856 4.640 -0.000 0.000 0.237 64 D C -0.808 175.363 176.300 -0.214 0.000 1.353 64 D CA -0.348 53.570 54.000 -0.136 0.000 0.992 64 D CB 0.075 40.869 40.800 -0.011 0.000 1.368 64 D HN 0.346 nan 8.370 nan 0.000 0.564 65 F N 1.356 121.386 119.950 0.133 0.000 2.639 65 F HA 0.088 4.615 4.527 -0.000 0.000 0.302 65 F C 2.357 178.150 175.800 -0.012 0.000 1.097 65 F CA -0.174 57.849 58.000 0.039 0.000 1.294 65 F CB 0.519 39.497 39.000 -0.037 0.000 1.027 65 F HN 0.287 nan 8.300 nan 0.000 0.550 66 S N -0.169 115.638 115.700 0.177 0.000 2.383 66 S HA -0.330 4.139 4.470 -0.000 0.000 0.229 66 S C 1.950 176.615 174.600 0.108 0.000 1.030 66 S CA 1.352 59.627 58.200 0.124 0.000 1.002 66 S CB -0.949 62.327 63.200 0.127 0.000 0.829 66 S HN 0.546 nan 8.310 nan 0.000 0.467 67 Y N 2.660 123.011 120.300 0.084 0.000 2.200 67 Y HA 0.166 4.716 4.550 -0.000 0.000 0.290 67 Y C 2.650 178.595 175.900 0.075 0.000 1.137 67 Y CA 0.746 58.934 58.100 0.146 0.000 1.163 67 Y CB -0.973 37.615 38.460 0.213 0.000 0.988 67 Y HN 0.322 nan 8.280 nan 0.000 0.518 68 A N 0.141 122.831 122.820 -0.216 0.000 1.933 68 A HA -0.237 4.082 4.320 -0.000 0.000 0.218 68 A C 2.084 179.362 177.584 -0.510 0.000 1.175 68 A CA 1.995 53.586 52.037 -0.743 0.000 0.628 68 A CB -0.626 17.798 19.000 -0.960 0.000 0.814 68 A HN 0.681 nan 8.150 nan 0.000 0.444 69 Q N -1.457 118.107 119.800 -0.394 0.000 2.096 69 Q HA -0.121 4.219 4.340 -0.000 0.000 0.197 69 Q C 2.361 178.054 176.000 -0.510 0.000 0.964 69 Q CA 1.294 56.775 55.803 -0.536 0.000 0.838 69 Q CB -0.147 28.456 28.738 -0.224 0.000 0.906 69 Q HN 0.528 nan 8.270 nan 0.000 0.444 70 R N 0.772 121.054 120.500 -0.363 0.000 2.081 70 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 70 R C 1.754 177.648 176.300 -0.676 0.000 1.131 70 R CA 1.427 57.234 56.100 -0.488 0.000 0.960 70 R CB -0.775 29.273 30.300 -0.420 0.000 0.856 70 R HN 0.261 nan 8.270 nan 0.000 0.436 71 F N 0.448 120.001 119.950 -0.661 0.000 2.075 71 F HA -0.111 4.415 4.527 -0.000 0.000 0.297 71 F C 2.066 177.745 175.800 -0.202 0.000 1.113 71 F CA 1.902 59.685 58.000 -0.361 0.000 1.218 71 F CB -0.635 38.247 39.000 -0.196 0.000 0.984 71 F HN 0.148 nan 8.300 nan 0.000 0.472 72 A N -0.362 122.423 122.820 -0.057 0.000 1.940 72 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 72 A C 2.040 179.494 177.584 -0.217 0.000 1.176 72 A CA 1.903 53.834 52.037 -0.175 0.000 0.631 72 A CB -0.964 17.697 19.000 -0.565 0.000 0.814 72 A HN 0.545 nan 8.150 nan 0.000 0.446 73 Q N 0.183 119.798 119.800 -0.307 0.000 2.084 73 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 73 Q C 2.237 178.157 176.000 -0.134 0.000 0.978 73 Q CA 2.215 57.937 55.803 -0.136 0.000 0.844 73 Q CB -0.571 28.077 28.738 -0.150 0.000 0.898 73 Q HN 0.544 nan 8.270 nan 0.000 0.426 74 S N -0.947 114.624 115.700 -0.215 0.000 2.382 74 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 74 S C 1.868 176.408 174.600 -0.101 0.000 1.027 74 S CA 1.103 59.239 58.200 -0.106 0.000 0.991 74 S CB -0.285 62.950 63.200 0.058 0.000 0.823 74 S HN 0.264 nan 8.310 nan 0.000 0.469 75 V N 1.881 121.719 119.914 -0.126 0.000 2.343 75 V HA -0.171 3.948 4.120 -0.000 0.000 0.247 75 V C 2.421 178.473 176.094 -0.069 0.000 1.051 75 V CA 1.624 63.855 62.300 -0.115 0.000 1.036 75 V CB -0.460 31.339 31.823 -0.041 0.000 0.654 75 V HN 0.424 nan 8.190 nan 0.000 0.451 76 K N 0.096 120.476 120.400 -0.032 0.000 2.057 76 K HA -0.186 4.133 4.320 -0.000 0.000 0.206 76 K C 2.007 178.593 176.600 -0.023 0.000 1.050 76 K CA 1.581 57.864 56.287 -0.005 0.000 0.935 76 K CB -0.146 32.381 32.500 0.044 0.000 0.715 76 K HN 0.430 nan 8.250 nan 0.000 0.439 77 N N 0.749 119.429 118.700 -0.034 0.000 2.223 77 N HA -0.132 4.607 4.740 -0.000 0.000 0.185 77 N C 1.308 176.795 175.510 -0.037 0.000 1.016 77 N CA 1.289 54.321 53.050 -0.030 0.000 0.863 77 N CB -0.217 38.253 38.487 -0.028 0.000 0.983 77 N HN 0.232 nan 8.380 nan 0.000 0.429 78 A N -0.276 122.504 122.820 -0.066 0.000 2.251 78 A HA 0.424 4.744 4.320 -0.000 0.000 0.209 78 A C 1.459 179.007 177.584 -0.059 0.000 1.187 78 A CA 0.650 52.642 52.037 -0.075 0.000 0.823 78 A CB -0.488 18.424 19.000 -0.147 0.000 0.846 78 A HN 0.301 nan 8.150 nan 0.000 0.486 79 G N -1.575 107.196 108.800 -0.049 0.000 2.153 79 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.252 79 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.252 79 G C 0.250 175.110 174.900 -0.066 0.000 0.994 79 G CA 0.812 45.886 45.100 -0.043 0.000 0.698 79 G HN 0.316 nan 8.290 nan 0.000 0.521 80 M N -0.903 118.647 119.600 -0.084 0.000 2.527 80 M HA 0.558 5.037 4.480 -0.000 0.000 0.283 80 M C 0.649 176.877 176.300 -0.119 0.000 1.188 80 M CA -0.204 55.030 55.300 -0.110 0.000 0.941 80 M CB 1.103 33.642 32.600 -0.102 0.000 1.498 80 M HN 0.005 nan 8.290 nan 0.000 0.510 81 K N 1.246 121.551 120.400 -0.158 0.000 2.350 81 K HA 0.743 5.063 4.320 -0.000 0.000 0.241 81 K C -0.799 175.783 176.600 -0.030 0.000 0.994 81 K CA -0.610 55.596 56.287 -0.134 0.000 0.839 81 K CB 2.622 34.937 32.500 -0.309 0.000 1.244 81 K HN 0.788 nan 8.250 nan 0.000 0.443 82 M N -0.482 119.127 119.600 0.014 0.000 2.531 82 M HA 0.564 5.044 4.480 -0.000 0.000 0.286 82 M C -1.397 174.894 176.300 -0.014 0.000 1.232 82 M CA -0.804 54.535 55.300 0.065 0.000 0.877 82 M CB 1.862 34.585 32.600 0.205 0.000 1.726 82 M HN 0.440 nan 8.290 nan 0.000 0.463 83 I N 3.688 124.224 120.570 -0.058 0.000 2.537 83 I HA 0.393 4.562 4.170 -0.000 0.000 0.276 83 I C -2.333 173.709 176.117 -0.124 0.000 1.063 83 I CA -1.788 59.426 61.300 -0.144 0.000 1.144 83 I CB 1.730 39.580 38.000 -0.250 0.000 1.252 83 I HN 0.471 nan 8.210 nan 0.000 0.480 84 P HA 0.230 nan 4.420 nan 0.000 0.271 84 P C -0.595 176.579 177.300 -0.210 0.000 1.216 84 P CA 0.080 63.099 63.100 -0.135 0.000 0.776 84 P CB 1.435 33.263 31.700 0.213 0.000 0.881 85 I N 3.841 124.214 120.570 -0.328 0.000 2.355 85 I HA 0.305 4.475 4.170 -0.000 0.000 0.288 85 I C 0.749 176.639 176.117 -0.377 0.000 0.999 85 I CA -0.892 60.234 61.300 -0.290 0.000 1.163 85 I CB 1.215 39.014 38.000 -0.334 0.000 1.316 85 I HN 0.142 nan 8.210 nan 0.000 0.454 86 I N 5.648 125.995 120.570 -0.372 0.000 2.278 86 I HA 0.055 4.224 4.170 -0.000 0.000 0.300 86 I C 0.388 176.344 176.117 -0.269 0.000 1.174 86 I CA 0.191 61.245 61.300 -0.409 0.000 1.347 86 I CB -0.105 37.602 38.000 -0.489 0.000 1.473 86 I HN 0.531 nan 8.210 nan 0.000 0.595 87 S N 3.358 118.872 115.700 -0.311 0.000 3.065 87 S HA 0.021 4.491 4.470 -0.000 0.000 0.311 87 S C 1.370 175.924 174.600 -0.077 0.000 1.204 87 S CA -0.385 57.631 58.200 -0.306 0.000 1.040 87 S CB -0.360 62.312 63.200 -0.881 0.000 1.436 87 S HN 0.723 nan 8.310 nan 0.000 0.532 88 T N -0.015 114.548 114.554 0.014 0.000 3.380 88 T HA 0.052 4.401 4.350 -0.000 0.000 0.250 88 T C 0.440 175.393 174.700 0.422 0.000 1.082 88 T CA -0.361 61.822 62.100 0.138 0.000 0.968 88 T CB -0.614 68.004 68.868 -0.416 0.000 1.027 88 T HN 0.752 nan 8.240 nan 0.000 0.575 89 H N -1.133 118.153 119.070 0.359 0.000 2.834 89 H HA 0.501 5.057 4.556 -0.000 0.000 0.369 89 H C -0.785 174.756 175.328 0.356 0.000 1.174 89 H CA -1.118 55.132 56.048 0.337 0.000 1.165 89 H CB 1.362 31.285 29.762 0.268 0.000 1.820 89 H HN 0.231 nan 8.280 nan 0.000 0.558 90 Q N 1.014 120.988 119.800 0.290 0.000 2.314 90 Q HA 0.258 4.598 4.340 -0.000 0.000 0.258 90 Q C -0.955 175.004 176.000 -0.068 0.000 0.954 90 Q CA -0.498 55.345 55.803 0.066 0.000 0.890 90 Q CB 0.807 29.589 28.738 0.073 0.000 1.210 90 Q HN 0.584 nan 8.270 nan 0.000 0.410 91 c N 4.010 122.294 118.600 -0.526 0.000 2.285 91 c HA 0.862 5.432 4.570 -0.000 0.000 0.335 91 c C 0.093 173.962 174.090 -0.368 0.000 1.267 91 c CA 1.063 56.950 56.329 -0.737 0.000 1.762 91 c CB -0.775 40.728 42.510 -1.678 0.000 2.365 91 c HN 0.996 nan 8.230 nan 0.000 0.527 92 G N 3.783 112.473 108.800 -0.184 0.000 2.841 92 G HA2 0.469 4.429 3.960 -0.000 0.000 0.684 92 G HA3 0.469 4.429 3.960 -0.000 0.000 0.684 92 G C 0.416 175.282 174.900 -0.056 0.000 1.273 92 G CA 0.211 45.240 45.100 -0.117 0.000 0.811 92 G HN 2.319 nan 8.290 nan 0.000 0.631 93 G N 0.763 109.542 108.800 -0.034 0.000 2.232 93 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.226 93 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.226 93 G C 0.248 175.150 174.900 0.003 0.000 0.996 93 G CA 0.641 45.732 45.100 -0.016 0.000 0.626 93 G HN 1.255 nan 8.290 nan 0.000 0.509 94 N N 0.131 118.840 118.700 0.015 0.000 2.472 94 N HA 0.457 5.196 4.740 -0.000 0.000 0.289 94 N C 0.269 175.802 175.510 0.039 0.000 1.156 94 N CA -0.080 52.992 53.050 0.036 0.000 0.940 94 N CB 2.263 40.781 38.487 0.051 0.000 1.200 94 N HN 0.340 nan 8.380 nan 0.000 0.511 95 V N 1.442 121.388 119.914 0.053 0.000 2.583 95 V HA 0.118 4.237 4.120 -0.000 0.000 0.302 95 V C 1.317 177.433 176.094 0.036 0.000 1.033 95 V CA 1.764 64.086 62.300 0.037 0.000 1.194 95 V CB -0.641 31.202 31.823 0.033 0.000 0.879 95 V HN 0.997 nan 8.190 nan 0.000 0.482 96 G N 4.392 113.207 108.800 0.025 0.000 2.179 96 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.260 96 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.260 96 G C -0.144 174.775 174.900 0.033 0.000 0.977 96 G CA 0.221 45.339 45.100 0.030 0.000 0.641 96 G HN 0.833 nan 8.290 nan 0.000 0.533 97 D N 0.860 121.275 120.400 0.025 0.000 2.348 97 D HA 0.482 5.122 4.640 -0.000 0.000 0.253 97 D C -0.215 176.079 176.300 -0.010 0.000 1.161 97 D CA 0.176 54.183 54.000 0.012 0.000 0.876 97 D CB 1.404 42.201 40.800 -0.005 0.000 1.160 97 D HN 0.182 nan 8.370 nan 0.000 0.459 98 D N 2.091 122.484 120.400 -0.013 0.000 2.441 98 D HA 0.306 4.946 4.640 -0.000 0.000 0.287 98 D C -1.061 175.206 176.300 -0.055 0.000 1.198 98 D CA -0.456 53.529 54.000 -0.025 0.000 0.894 98 D CB -0.294 40.504 40.800 -0.004 0.000 1.070 98 D HN 0.450 nan 8.370 nan 0.000 0.499 99 c N 0.838 119.380 118.600 -0.097 0.000 3.167 99 c HA 0.747 5.316 4.570 -0.000 0.000 0.348 99 c C -1.356 172.619 174.090 -0.192 0.000 1.394 99 c CA -1.158 55.074 56.329 -0.161 0.000 1.204 99 c CB 1.091 43.459 42.510 -0.236 0.000 1.467 99 c HN 0.423 nan 8.230 nan 0.000 0.446 100 N N -0.329 118.225 118.700 -0.243 0.000 2.793 100 N HA 0.553 5.293 4.740 -0.000 0.000 0.251 100 N C -1.736 173.613 175.510 -0.267 0.000 1.308 100 N CA -0.175 52.743 53.050 -0.219 0.000 0.781 100 N CB 1.317 39.720 38.487 -0.141 0.000 1.439 100 N HN 0.930 nan 8.380 nan 0.000 0.562 101 V N 4.009 123.698 119.914 -0.374 0.000 2.443 101 V HA 0.472 4.592 4.120 -0.000 0.000 0.272 101 V C -2.246 173.686 176.094 -0.270 0.000 1.002 101 V CA -1.198 60.882 62.300 -0.366 0.000 0.840 101 V CB 1.307 32.760 31.823 -0.616 0.000 1.042 101 V HN 0.438 nan 8.190 nan 0.000 0.446 102 P HA 0.364 nan 4.420 nan 0.000 0.274 102 P C 0.234 177.489 177.300 -0.075 0.000 1.256 102 P CA -0.376 62.683 63.100 -0.069 0.000 0.795 102 P CB 0.747 32.427 31.700 -0.034 0.000 1.038 103 I N -2.141 118.397 120.570 -0.054 0.000 3.004 103 I HA 0.355 4.524 4.170 -0.000 0.000 0.287 103 I C -2.289 173.552 176.117 -0.461 0.000 1.144 103 I CA -2.481 58.666 61.300 -0.256 0.000 1.353 103 I CB -0.449 37.386 38.000 -0.274 0.000 1.417 103 I HN 0.127 nan 8.210 nan 0.000 0.602 104 P HA -0.044 nan 4.420 nan 0.000 0.260 104 P C 0.588 177.392 177.300 -0.827 0.000 1.172 104 P CA 0.327 62.922 63.100 -0.840 0.000 0.760 104 P CB 0.627 31.532 31.700 -1.324 0.000 0.773 105 S N 3.936 119.431 115.700 -0.341 0.000 2.419 105 S HA -0.147 4.323 4.470 -0.000 0.000 0.233 105 S C 1.640 176.189 174.600 -0.085 0.000 1.016 105 S CA 0.395 58.564 58.200 -0.050 0.000 0.974 105 S CB -1.044 62.205 63.200 0.083 0.000 0.786 105 S HN 0.683 nan 8.310 nan 0.000 0.492 106 W N 1.675 122.909 121.300 -0.109 0.000 2.465 106 W HA 0.049 4.709 4.660 -0.000 0.000 0.268 106 W C 1.277 177.701 176.519 -0.158 0.000 1.242 106 W CA 0.519 57.806 57.345 -0.097 0.000 1.248 106 W CB -1.028 28.368 29.460 -0.107 0.000 1.118 106 W HN 0.155 nan 8.180 nan 0.000 0.587 107 V N 1.090 120.378 119.914 -1.044 0.000 2.392 107 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 107 V C 2.110 177.872 176.094 -0.553 0.000 1.059 107 V CA 2.407 64.085 62.300 -1.037 0.000 1.051 107 V CB -1.161 29.740 31.823 -1.537 0.000 0.658 107 V HN 0.222 nan 8.190 nan 0.000 0.455 108 W N 0.108 121.298 121.300 -0.182 0.000 2.392 108 W HA -0.077 4.583 4.660 -0.000 0.000 0.279 108 W C 2.247 178.765 176.519 -0.002 0.000 1.225 108 W CA 0.537 57.843 57.345 -0.065 0.000 1.233 108 W CB -0.567 28.851 29.460 -0.069 0.000 1.122 108 W HN 0.243 nan 8.180 nan 0.000 0.561 109 N N 0.251 119.063 118.700 0.186 0.000 2.512 109 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 109 N C 1.503 177.086 175.510 0.121 0.000 1.073 109 N CA 0.782 53.926 53.050 0.157 0.000 0.911 109 N CB -0.342 38.240 38.487 0.157 0.000 0.964 109 N HN 0.315 nan 8.380 nan 0.000 0.447 110 Q N 0.379 120.241 119.800 0.103 0.000 2.364 110 Q HA 0.054 4.394 4.340 -0.000 0.000 0.207 110 Q C 0.090 176.117 176.000 0.046 0.000 0.970 110 Q CA 0.999 56.849 55.803 0.079 0.000 0.888 110 Q CB 0.302 29.081 28.738 0.069 0.000 0.951 110 Q HN 0.215 nan 8.270 nan 0.000 0.469 111 K N -0.108 120.323 120.400 0.051 0.000 2.422 111 K HA 0.285 4.605 4.320 -0.000 0.000 0.251 111 K C 0.504 177.133 176.600 0.047 0.000 0.933 111 K CA -0.203 56.095 56.287 0.018 0.000 0.798 111 K CB 2.033 34.512 32.500 -0.035 0.000 1.238 111 K HN -0.066 nan 8.250 nan 0.000 0.428 112 S N -0.876 114.839 115.700 0.026 0.000 2.517 112 S HA -0.030 4.439 4.470 -0.000 0.000 0.214 112 S C 0.540 175.163 174.600 0.039 0.000 0.991 112 S CA 0.094 58.319 58.200 0.042 0.000 0.906 112 S CB -0.191 63.030 63.200 0.035 0.000 0.789 112 S HN 0.666 nan 8.310 nan 0.000 0.513 113 D N 2.414 122.814 120.400 0.000 0.000 2.475 113 D HA 0.252 4.892 4.640 -0.000 0.000 0.286 113 D C -0.134 176.142 176.300 -0.040 0.000 1.205 113 D CA -0.303 53.688 54.000 -0.014 0.000 1.092 113 D CB -0.112 40.657 40.800 -0.051 0.000 1.147 113 D HN 0.186 nan 8.370 nan 0.000 0.575 114 D N -2.195 118.130 120.400 -0.125 0.000 2.559 114 D HA 0.052 4.692 4.640 -0.000 0.000 0.234 114 D C 0.942 176.930 176.300 -0.519 0.000 1.226 114 D CA -0.164 53.603 54.000 -0.388 0.000 0.830 114 D CB -0.313 40.289 40.800 -0.329 0.000 1.028 114 D HN 0.226 nan 8.370 nan 0.000 0.492 115 S N -0.020 115.408 115.700 -0.455 0.000 2.447 115 S HA -0.100 4.369 4.470 -0.000 0.000 0.233 115 S C 1.775 176.147 174.600 -0.380 0.000 1.006 115 S CA 0.345 58.160 58.200 -0.642 0.000 0.957 115 S CB -0.592 61.781 63.200 -1.378 0.000 0.773 115 S HN 0.348 nan 8.310 nan 0.000 0.507 116 L N -0.071 121.003 121.223 -0.248 0.000 2.341 116 L HA 0.203 4.543 4.340 -0.000 0.000 0.214 116 L C 1.174 178.129 176.870 0.141 0.000 1.115 116 L CA 0.227 55.066 54.840 -0.002 0.000 0.820 116 L CB -0.437 41.766 42.059 0.240 0.000 0.944 116 L HN 0.534 nan 8.230 nan 0.000 0.452 117 Y N -2.905 117.414 120.300 0.033 0.000 2.805 117 Y HA 0.693 5.242 4.550 -0.000 0.000 0.321 117 Y C -0.484 175.274 175.900 -0.237 0.000 1.203 117 Y CA -2.093 55.970 58.100 -0.061 0.000 1.165 117 Y CB 0.284 38.724 38.460 -0.032 0.000 1.371 117 Y HN -0.314 nan 8.280 nan 0.000 0.564 118 F N 0.025 120.222 119.950 0.413 0.000 2.556 118 F HA 0.671 5.198 4.527 -0.000 0.000 0.327 118 F C -0.251 175.753 175.800 0.339 0.000 1.059 118 F CA -1.036 57.149 58.000 0.309 0.000 0.953 118 F CB 2.225 41.387 39.000 0.269 0.000 1.227 118 F HN 0.332 nan 8.300 nan 0.000 0.478 119 K N 1.007 121.708 120.400 0.502 0.000 2.581 119 K HA 0.391 4.711 4.320 -0.000 0.000 0.249 119 K C -0.613 176.221 176.600 0.390 0.000 0.966 119 K CA -0.486 56.031 56.287 0.383 0.000 0.811 119 K CB 1.638 34.346 32.500 0.346 0.000 1.223 119 K HN 0.797 nan 8.250 nan 0.000 0.438 120 S N 2.024 117.878 115.700 0.255 0.000 2.626 120 S HA 0.100 4.570 4.470 -0.000 0.000 0.257 120 S C 0.966 175.533 174.600 -0.054 0.000 1.288 120 S CA -0.133 58.176 58.200 0.181 0.000 0.980 120 S CB 0.871 64.122 63.200 0.086 0.000 0.975 120 S HN 0.711 nan 8.310 nan 0.000 0.577 121 E N 0.298 120.331 120.200 -0.277 0.000 2.160 121 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 121 E C 1.590 177.944 176.600 -0.409 0.000 0.991 121 E CA 1.648 57.598 56.400 -0.749 0.000 0.810 121 E CB -0.423 29.053 29.700 -0.374 0.000 0.742 121 E HN 0.908 nan 8.360 nan 0.000 0.466 122 T N -3.245 111.201 114.554 -0.181 0.000 3.163 122 T HA 0.355 4.705 4.350 -0.000 0.000 0.252 122 T C 1.273 175.942 174.700 -0.052 0.000 1.056 122 T CA 0.192 62.231 62.100 -0.101 0.000 0.947 122 T CB 0.747 69.582 68.868 -0.055 0.000 1.016 122 T HN 0.260 nan 8.240 nan 0.000 0.554 123 G N 1.118 109.897 108.800 -0.034 0.000 2.157 123 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.248 123 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.248 123 G C 0.121 175.053 174.900 0.054 0.000 0.979 123 G CA -0.046 45.072 45.100 0.029 0.000 0.650 123 G HN 0.674 nan 8.290 nan 0.000 0.529 124 T N 1.274 115.859 114.554 0.051 0.000 2.799 124 T HA 0.449 4.799 4.350 -0.000 0.000 0.296 124 T C 0.658 175.419 174.700 0.102 0.000 0.947 124 T CA -0.057 62.076 62.100 0.054 0.000 1.141 124 T CB 2.159 71.052 68.868 0.041 0.000 0.891 124 T HN 0.387 nan 8.240 nan 0.000 0.533 125 V N 5.073 125.027 119.914 0.067 0.000 2.546 125 V HA 0.330 4.450 4.120 -0.000 0.000 0.284 125 V C 0.490 176.625 176.094 0.069 0.000 1.050 125 V CA -0.771 61.580 62.300 0.085 0.000 0.981 125 V CB 1.268 33.040 31.823 -0.086 0.000 0.990 125 V HN 0.816 nan 8.190 nan 0.000 0.474 126 N N 3.955 122.773 118.700 0.197 0.000 2.399 126 N HA 0.395 5.134 4.740 -0.000 0.000 0.280 126 N C -0.533 175.143 175.510 0.276 0.000 1.008 126 N CA -0.542 52.628 53.050 0.201 0.000 0.894 126 N CB 1.835 40.457 38.487 0.224 0.000 1.273 126 N HN 0.629 nan 8.380 nan 0.000 0.486 127 K N 2.342 122.809 120.400 0.112 0.000 2.934 127 K HA 0.098 4.418 4.320 -0.000 0.000 0.210 127 K C 0.578 177.376 176.600 0.330 0.000 1.122 127 K CA -0.060 56.297 56.287 0.116 0.000 1.033 127 K CB 0.630 32.820 32.500 -0.516 0.000 0.779 127 K HN 0.634 nan 8.250 nan 0.000 0.459 128 E N -0.103 120.283 120.200 0.309 0.000 2.478 128 E HA 0.000 4.350 4.350 -0.000 0.000 0.194 128 E C 0.326 177.141 176.600 0.359 0.000 1.045 128 E CA 0.414 56.977 56.400 0.272 0.000 0.868 128 E CB 0.531 30.330 29.700 0.165 0.000 0.885 128 E HN -0.073 nan 8.360 nan 0.000 0.505 129 T N -0.176 114.659 114.554 0.467 0.000 2.830 129 T HA 0.339 4.688 4.350 -0.000 0.000 0.322 129 T C -1.482 173.508 174.700 0.484 0.000 1.501 129 T CA -0.776 61.602 62.100 0.463 0.000 1.036 129 T CB 1.068 70.189 68.868 0.423 0.000 1.379 129 T HN 0.131 nan 8.240 nan 0.000 0.493 130 L N 3.368 124.792 121.223 0.336 0.000 2.380 130 L HA 0.391 4.730 4.340 -0.000 0.000 0.273 130 L C 0.948 177.814 176.870 -0.006 0.000 1.138 130 L CA -0.750 54.177 54.840 0.145 0.000 0.832 130 L CB 0.514 42.616 42.059 0.072 0.000 1.124 130 L HN 0.607 nan 8.230 nan 0.000 0.454 131 N N 5.423 123.951 118.700 -0.286 0.000 2.452 131 N HA 0.037 4.777 4.740 -0.000 0.000 0.266 131 N C -1.520 173.825 175.510 -0.275 0.000 1.209 131 N CA -1.371 51.337 53.050 -0.570 0.000 0.929 131 N CB 1.241 39.299 38.487 -0.716 0.000 1.063 131 N HN 0.342 nan 8.380 nan 0.000 0.472 132 P HA -0.149 nan 4.420 nan 0.000 0.222 132 P C 1.462 178.659 177.300 -0.171 0.000 1.142 132 P CA 0.858 63.713 63.100 -0.409 0.000 0.788 132 P CB 0.404 31.729 31.700 -0.626 0.000 0.767 133 L N -0.595 120.598 121.223 -0.050 0.000 2.201 133 L HA -0.034 4.306 4.340 -0.000 0.000 0.212 133 L C 1.823 178.818 176.870 0.208 0.000 1.105 133 L CA 0.738 55.656 54.840 0.129 0.000 0.775 133 L CB -0.666 41.573 42.059 0.300 0.000 0.913 133 L HN -0.094 nan 8.230 nan 0.000 0.440 134 A N -0.392 122.456 122.820 0.046 0.000 3.135 134 A HA 0.159 4.479 4.320 -0.000 0.000 0.253 134 A C 1.668 179.216 177.584 -0.060 0.000 1.638 134 A CA 0.285 52.297 52.037 -0.042 0.000 1.295 134 A CB -0.467 18.440 19.000 -0.156 0.000 1.106 134 A HN 0.404 nan 8.150 nan 0.000 0.648 135 S N 0.571 116.265 115.700 -0.010 0.000 2.442 135 S HA -0.186 4.284 4.470 -0.000 0.000 0.236 135 S C 1.409 175.981 174.600 -0.047 0.000 1.007 135 S CA 1.098 59.277 58.200 -0.036 0.000 0.965 135 S CB -0.277 62.928 63.200 0.009 0.000 0.773 135 S HN 0.763 nan 8.310 nan 0.000 0.504 136 D N 2.088 122.476 120.400 -0.020 0.000 2.117 136 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 136 D C 1.915 178.192 176.300 -0.038 0.000 0.982 136 D CA 0.944 54.933 54.000 -0.017 0.000 0.828 136 D CB -0.802 40.001 40.800 0.004 0.000 0.967 136 D HN 0.426 nan 8.370 nan 0.000 0.464 137 V N 1.051 120.930 119.914 -0.058 0.000 2.453 137 V HA -0.150 3.969 4.120 -0.000 0.000 0.247 137 V C 2.637 178.669 176.094 -0.104 0.000 1.048 137 V CA 0.725 62.994 62.300 -0.051 0.000 1.049 137 V CB -0.266 31.521 31.823 -0.060 0.000 0.672 137 V HN 0.144 nan 8.190 nan 0.000 0.457 138 I N 0.337 120.778 120.570 -0.215 0.000 2.142 138 I HA -0.225 3.944 4.170 -0.000 0.000 0.240 138 I C 2.608 178.499 176.117 -0.377 0.000 1.078 138 I CA 1.801 62.804 61.300 -0.495 0.000 1.343 138 I CB -1.251 36.453 38.000 -0.494 0.000 1.046 138 I HN 0.321 nan 8.210 nan 0.000 0.405 139 R N 1.307 121.686 120.500 -0.202 0.000 2.096 139 R HA -0.249 4.091 4.340 -0.000 0.000 0.240 139 R C 2.399 178.652 176.300 -0.079 0.000 1.139 139 R CA 2.203 58.228 56.100 -0.125 0.000 0.952 139 R CB -0.207 30.053 30.300 -0.066 0.000 0.854 139 R HN 0.301 nan 8.270 nan 0.000 0.436 140 K N 0.070 120.447 120.400 -0.037 0.000 1.973 140 K HA -0.171 4.149 4.320 -0.000 0.000 0.212 140 K C 1.893 178.532 176.600 0.065 0.000 1.047 140 K CA 1.789 58.089 56.287 0.022 0.000 0.937 140 K CB -0.064 32.466 32.500 0.050 0.000 0.721 140 K HN 0.152 nan 8.250 nan 0.000 0.440 141 E N -0.060 120.202 120.200 0.104 0.000 2.077 141 E HA -0.182 4.167 4.350 -0.000 0.000 0.193 141 E C 2.186 178.852 176.600 0.111 0.000 0.989 141 E CA 1.227 57.758 56.400 0.220 0.000 0.800 141 E CB -0.366 29.562 29.700 0.380 0.000 0.746 141 E HN 0.429 nan 8.360 nan 0.000 0.452 142 Y N 0.767 120.858 120.300 -0.347 0.000 2.220 142 Y HA -0.001 4.549 4.550 -0.000 0.000 0.291 142 Y C 2.618 178.066 175.900 -0.752 0.000 1.129 142 Y CA 0.816 58.485 58.100 -0.718 0.000 1.161 142 Y CB -1.212 36.763 38.460 -0.809 0.000 0.997 142 Y HN 0.080 nan 8.280 nan 0.000 0.522 143 G N -0.220 108.427 108.800 -0.255 0.000 2.440 143 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 143 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 143 G C 1.568 176.433 174.900 -0.058 0.000 1.154 143 G CA 1.103 46.103 45.100 -0.167 0.000 0.767 143 G HN 0.418 nan 8.290 nan 0.000 0.552 144 E N -0.454 119.767 120.200 0.035 0.000 2.077 144 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 144 E C 2.399 179.116 176.600 0.195 0.000 0.989 144 E CA 0.728 57.231 56.400 0.173 0.000 0.800 144 E CB -0.170 29.707 29.700 0.295 0.000 0.746 144 E HN 0.331 nan 8.360 nan 0.000 0.452 145 L N 0.290 121.599 121.223 0.145 0.000 2.027 145 L HA -0.172 4.168 4.340 -0.000 0.000 0.206 145 L C 1.990 178.962 176.870 0.170 0.000 1.074 145 L CA 1.667 56.590 54.840 0.139 0.000 0.745 145 L CB -0.508 41.519 42.059 -0.053 0.000 0.898 145 L HN 0.230 nan 8.230 nan 0.000 0.433 146 Y N -0.958 119.301 120.300 -0.068 0.000 2.145 146 Y HA -0.274 4.276 4.550 -0.000 0.000 0.286 146 Y C 2.471 178.270 175.900 -0.168 0.000 1.145 146 Y CA 1.062 59.089 58.100 -0.122 0.000 1.148 146 Y CB -0.636 37.624 38.460 -0.333 0.000 0.981 146 Y HN 0.212 nan 8.280 nan 0.000 0.507 147 T N 0.188 114.746 114.554 0.006 0.000 2.708 147 T HA -0.229 4.121 4.350 -0.000 0.000 0.266 147 T C 2.095 176.770 174.700 -0.041 0.000 1.037 147 T CA 1.237 63.314 62.100 -0.038 0.000 1.146 147 T CB -0.528 68.332 68.868 -0.012 0.000 0.865 147 T HN 0.457 nan 8.240 nan 0.000 0.435 148 A N 0.867 123.635 122.820 -0.088 0.000 1.902 148 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 148 A C 2.026 179.321 177.584 -0.483 0.000 1.181 148 A CA 1.273 53.161 52.037 -0.248 0.000 0.623 148 A CB -0.946 17.654 19.000 -0.666 0.000 0.818 148 A HN 0.470 nan 8.150 nan 0.000 0.443 149 F N 0.967 120.576 119.950 -0.567 0.000 2.102 149 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 149 F C 2.543 178.136 175.800 -0.345 0.000 1.105 149 F CA 1.116 58.659 58.000 -0.762 0.000 1.239 149 F CB -0.469 38.377 39.000 -0.257 0.000 0.991 149 F HN 0.251 nan 8.300 nan 0.000 0.474 150 A N 0.458 123.342 122.820 0.106 0.000 1.883 150 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 150 A C 2.414 180.068 177.584 0.117 0.000 1.186 150 A CA 2.092 54.325 52.037 0.327 0.000 0.624 150 A CB -1.629 17.614 19.000 0.404 0.000 0.822 150 A HN 0.509 nan 8.150 nan 0.000 0.444 151 A N -0.462 122.324 122.820 -0.056 0.000 1.933 151 A HA 0.199 4.519 4.320 -0.000 0.000 0.218 151 A C 2.454 179.951 177.584 -0.146 0.000 1.175 151 A CA 1.999 53.984 52.037 -0.087 0.000 0.628 151 A CB -0.857 18.099 19.000 -0.073 0.000 0.814 151 A HN 1.060 nan 8.150 nan 0.000 0.444 152 A N -1.338 121.284 122.820 -0.330 0.000 1.968 152 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 152 A C 1.897 179.340 177.584 -0.235 0.000 1.169 152 A CA 1.600 53.430 52.037 -0.344 0.000 0.638 152 A CB -0.291 18.279 19.000 -0.716 0.000 0.812 152 A HN 0.391 nan 8.150 nan 0.000 0.446 153 M N -0.619 118.788 119.600 -0.321 0.000 2.495 153 M HA 0.140 4.620 4.480 -0.000 0.000 0.237 153 M C 1.557 178.018 176.300 0.268 0.000 1.131 153 M CA 0.470 55.722 55.300 -0.081 0.000 1.032 153 M CB -0.820 31.473 32.600 -0.512 0.000 1.513 153 M HN 0.501 nan 8.290 nan 0.000 0.488 154 K N 1.352 121.827 120.400 0.125 0.000 2.074 154 K HA -0.157 4.163 4.320 -0.000 0.000 0.209 154 K C -0.960 175.550 176.600 -0.150 0.000 1.048 154 K CA 1.502 57.738 56.287 -0.084 0.000 0.926 154 K CB -0.611 31.794 32.500 -0.158 0.000 0.713 154 K HN 0.150 nan 8.250 nan 0.000 0.444 155 P HA -0.103 nan 4.420 nan 0.000 0.226 155 P C -0.141 176.814 177.300 -0.574 0.000 1.153 155 P CA 1.065 63.877 63.100 -0.481 0.000 0.777 155 P CB 0.112 31.368 31.700 -0.739 0.000 0.794 156 Y N -0.633 119.659 120.300 -0.014 0.000 2.607 156 Y HA 0.177 4.727 4.550 -0.000 0.000 0.266 156 Y C 1.878 177.831 175.900 0.087 0.000 1.178 156 Y CA -0.501 57.606 58.100 0.011 0.000 1.226 156 Y CB -0.559 37.890 38.460 -0.019 0.000 1.144 156 Y HN -0.019 nan 8.280 nan 0.000 0.528 157 K N 0.419 120.949 120.400 0.215 0.000 2.286 157 K HA -0.219 4.101 4.320 -0.000 0.000 0.203 157 K C 0.878 177.586 176.600 0.180 0.000 1.045 157 K CA 2.056 58.520 56.287 0.295 0.000 0.935 157 K CB -0.336 32.147 32.500 -0.027 0.000 0.737 157 K HN 0.430 nan 8.250 nan 0.000 0.460 158 D N 1.578 122.035 120.400 0.094 0.000 2.317 158 D HA -0.096 4.544 4.640 -0.000 0.000 0.211 158 D C 1.688 178.027 176.300 0.065 0.000 0.966 158 D CA 1.186 55.223 54.000 0.061 0.000 0.876 158 D CB 0.140 40.953 40.800 0.022 0.000 0.927 158 D HN 0.362 nan 8.370 nan 0.000 0.519 159 V N -1.887 118.082 119.914 0.093 0.000 3.578 159 V HA 0.233 4.352 4.120 -0.000 0.000 0.290 159 V C 0.577 176.703 176.094 0.054 0.000 1.376 159 V CA -0.511 61.826 62.300 0.061 0.000 1.083 159 V CB -0.143 31.725 31.823 0.074 0.000 0.911 159 V HN -0.093 nan 8.190 nan 0.000 0.433 160 I N 1.996 122.612 120.570 0.075 0.000 2.304 160 I HA 0.548 4.718 4.170 -0.000 0.000 0.291 160 I C 1.288 177.417 176.117 0.020 0.000 1.018 160 I CA 0.336 61.650 61.300 0.023 0.000 1.260 160 I CB 0.773 38.764 38.000 -0.016 0.000 1.390 160 I HN 0.230 nan 8.210 nan 0.000 0.475 161 A N 6.550 129.366 122.820 -0.007 0.000 2.044 161 A HA 0.136 4.455 4.320 -0.000 0.000 0.213 161 A C 0.941 178.498 177.584 -0.045 0.000 1.169 161 A CA 0.706 52.767 52.037 0.040 0.000 0.724 161 A CB 0.465 19.552 19.000 0.145 0.000 0.840 161 A HN 0.726 nan 8.150 nan 0.000 0.463 162 K N -1.263 119.043 120.400 -0.158 0.000 2.658 162 K HA 0.579 4.899 4.320 -0.000 0.000 0.293 162 K C -2.272 174.116 176.600 -0.354 0.000 1.026 162 K CA -0.702 55.431 56.287 -0.256 0.000 0.871 162 K CB 0.828 33.131 32.500 -0.327 0.000 1.524 162 K HN 0.105 nan 8.250 nan 0.000 0.400 163 I N 2.237 122.548 120.570 -0.430 0.000 2.498 163 I HA 0.344 4.513 4.170 -0.000 0.000 0.290 163 I C -1.238 174.624 176.117 -0.425 0.000 1.032 163 I CA -0.822 60.183 61.300 -0.492 0.000 1.073 163 I CB 1.790 39.325 38.000 -0.775 0.000 1.251 163 I HN 0.527 nan 8.210 nan 0.000 0.426 164 Y N 5.795 125.898 120.300 -0.328 0.000 2.342 164 Y HA 0.589 5.138 4.550 -0.000 0.000 0.334 164 Y C -0.224 175.514 175.900 -0.269 0.000 1.067 164 Y CA -0.805 57.149 58.100 -0.243 0.000 1.128 164 Y CB 1.732 40.070 38.460 -0.203 0.000 1.200 164 Y HN 0.285 nan 8.280 nan 0.000 0.464 165 L N 2.385 123.625 121.223 0.028 0.000 2.331 165 L HA 0.453 4.792 4.340 -0.000 0.000 0.275 165 L C -0.043 176.844 176.870 0.029 0.000 1.022 165 L CA -0.881 53.931 54.840 -0.046 0.000 0.812 165 L CB 1.770 43.806 42.059 -0.038 0.000 1.257 165 L HN 0.466 nan 8.230 nan 0.000 0.435 166 S N 0.557 116.282 115.700 0.042 0.000 2.411 166 S HA 0.374 4.844 4.470 -0.000 0.000 0.294 166 S C 0.846 175.551 174.600 0.175 0.000 1.115 166 S CA -0.386 57.882 58.200 0.114 0.000 1.071 166 S CB 0.893 64.255 63.200 0.270 0.000 0.967 166 S HN 0.806 nan 8.310 nan 0.000 0.488 167 G N 2.903 111.794 108.800 0.153 0.000 3.042 167 G HA2 0.545 4.505 3.960 -0.000 0.000 0.212 167 G HA3 0.545 4.505 3.960 -0.000 0.000 0.212 167 G C 0.617 175.671 174.900 0.258 0.000 1.166 167 G CA 0.179 45.417 45.100 0.229 0.000 0.767 167 G HN 1.129 nan 8.290 nan 0.000 0.546 168 G N -0.310 108.591 108.800 0.169 0.000 2.335 168 G HA2 0.425 4.385 3.960 -0.000 0.000 0.291 168 G HA3 0.425 4.385 3.960 -0.000 0.000 0.291 168 G C -3.225 171.699 174.900 0.039 0.000 1.261 168 G CA -0.645 44.522 45.100 0.112 0.000 0.871 168 G HN -0.033 nan 8.290 nan 0.000 0.491 169 P HA 0.353 nan 4.420 nan 0.000 0.265 169 P C 0.706 177.908 177.300 -0.162 0.000 1.193 169 P CA 1.820 64.896 63.100 -0.041 0.000 0.765 169 P CB 1.242 32.879 31.700 -0.106 0.000 0.823 170 A N 3.063 125.752 122.820 -0.219 0.000 2.945 170 A HA -0.122 4.197 4.320 -0.000 0.000 0.263 170 A C 1.414 178.651 177.584 -0.578 0.000 1.293 170 A CA 1.726 53.602 52.037 -0.269 0.000 0.944 170 A CB -2.546 16.413 19.000 -0.069 0.000 1.093 170 A HN 1.201 nan 8.150 nan 0.000 0.786 171 G N -2.288 105.925 108.800 -0.978 0.000 2.157 171 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.248 171 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.248 171 G C -0.240 174.552 174.900 -0.180 0.000 0.979 171 G CA 1.041 45.801 45.100 -0.566 0.000 0.650 171 G HN 1.276 nan 8.290 nan 0.000 0.529 172 E N -0.737 119.399 120.200 -0.107 0.000 2.191 172 E HA 0.612 4.961 4.350 -0.000 0.000 0.274 172 E C 0.043 176.701 176.600 0.096 0.000 0.948 172 E CA -1.041 55.381 56.400 0.037 0.000 0.802 172 E CB 1.926 31.675 29.700 0.080 0.000 1.137 172 E HN 0.235 nan 8.360 nan 0.000 0.397 173 L N 4.796 126.138 121.223 0.197 0.000 2.536 173 L HA 0.224 4.563 4.340 -0.000 0.000 0.282 173 L C -0.378 176.598 176.870 0.175 0.000 1.147 173 L CA 0.855 55.819 54.840 0.206 0.000 0.936 173 L CB -0.875 41.367 42.059 0.305 0.000 1.279 173 L HN 0.619 nan 8.230 nan 0.000 0.461 174 R N 2.311 122.781 120.500 -0.049 0.000 2.832 174 R HA 0.315 4.654 4.340 -0.000 0.000 0.283 174 R C -1.616 174.440 176.300 -0.406 0.000 0.998 174 R CA -1.043 54.904 56.100 -0.255 0.000 0.843 174 R CB 0.303 30.484 30.300 -0.197 0.000 1.332 174 R HN 0.190 nan 8.270 nan 0.000 0.490 175 Y N 0.567 120.676 120.300 -0.319 0.000 2.352 175 Y HA 0.402 4.951 4.550 -0.000 0.000 0.326 175 Y C -1.625 174.015 175.900 -0.433 0.000 1.166 175 Y CA -2.198 55.659 58.100 -0.405 0.000 1.182 175 Y CB 1.580 39.871 38.460 -0.282 0.000 1.216 175 Y HN 0.380 nan 8.280 nan 0.000 0.474 176 P HA 0.012 nan 4.420 nan 0.000 0.226 176 P C 0.177 177.330 177.300 -0.244 0.000 1.783 176 P CA 0.145 63.010 63.100 -0.391 0.000 0.980 176 P CB -0.119 31.340 31.700 -0.401 0.000 1.967 177 S N -0.109 115.500 115.700 -0.153 0.000 2.522 177 S HA -0.080 4.389 4.470 -0.000 0.000 0.227 177 S C 0.617 175.309 174.600 0.153 0.000 0.986 177 S CA -0.059 58.153 58.200 0.020 0.000 0.929 177 S CB -1.030 62.210 63.200 0.066 0.000 0.769 177 S HN 0.407 nan 8.310 nan 0.000 0.529 178 Y N 1.626 121.973 120.300 0.079 0.000 2.686 178 Y HA 0.733 5.283 4.550 -0.001 0.000 0.331 178 Y C -0.290 175.671 175.900 0.100 0.000 0.996 178 Y CA -1.006 57.183 58.100 0.149 0.000 1.293 178 Y CB 0.236 38.906 38.460 0.351 0.000 1.092 178 Y HN 0.120 nan 8.280 nan 0.000 0.524 179 T N -2.287 112.337 114.554 0.117 0.000 2.906 179 T HA 0.315 4.665 4.350 -0.000 0.000 0.295 179 T C 0.878 175.612 174.700 0.057 0.000 1.061 179 T CA -0.164 61.968 62.100 0.053 0.000 1.000 179 T CB 1.708 70.576 68.868 -0.000 0.000 1.103 179 T HN 0.601 nan 8.240 nan 0.000 0.486 180 T N -0.433 114.143 114.554 0.037 0.000 2.777 180 T HA -0.131 4.218 4.350 -0.000 0.000 0.266 180 T C 2.199 176.907 174.700 0.013 0.000 1.040 180 T CA 1.521 63.634 62.100 0.023 0.000 1.141 180 T CB -1.085 67.790 68.868 0.012 0.000 0.868 180 T HN 0.800 nan 8.240 nan 0.000 0.444 181 S N 1.686 117.390 115.700 0.008 0.000 2.399 181 S HA -0.149 4.320 4.470 -0.000 0.000 0.231 181 S C 1.756 176.360 174.600 0.007 0.000 1.022 181 S CA 1.378 59.579 58.200 0.001 0.000 0.983 181 S CB -0.680 62.516 63.200 -0.006 0.000 0.803 181 S HN 0.514 nan 8.310 nan 0.000 0.480 182 D N 1.258 121.669 120.400 0.018 0.000 2.340 182 D HA 0.208 4.848 4.640 -0.000 0.000 0.220 182 D C 1.319 177.634 176.300 0.026 0.000 1.039 182 D CA 0.608 54.622 54.000 0.023 0.000 0.866 182 D CB -0.441 40.380 40.800 0.034 0.000 0.913 182 D HN 0.528 nan 8.370 nan 0.000 0.523 183 G N 0.660 109.475 108.800 0.025 0.000 2.249 183 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.273 183 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.273 183 G C 0.826 175.749 174.900 0.038 0.000 1.036 183 G CA 1.048 46.162 45.100 0.022 0.000 0.824 183 G HN 0.467 nan 8.290 nan 0.000 0.504 184 T N -2.408 112.187 114.554 0.070 0.000 3.182 184 T HA 0.572 4.922 4.350 -0.000 0.000 0.277 184 T C 1.306 176.114 174.700 0.180 0.000 1.013 184 T CA 0.677 62.847 62.100 0.116 0.000 0.900 184 T CB 1.055 70.004 68.868 0.135 0.000 1.098 184 T HN 1.250 nan 8.240 nan 0.000 0.543 185 G N 0.828 109.697 108.800 0.114 0.000 2.636 185 G HA2 0.360 4.320 3.960 -0.000 0.000 0.246 185 G HA3 0.360 4.320 3.960 -0.000 0.000 0.246 185 G C -0.460 174.397 174.900 -0.071 0.000 1.216 185 G CA -0.818 44.342 45.100 0.100 0.000 0.854 185 G HN 0.507 nan 8.290 nan 0.000 0.572 186 Y N 1.866 121.861 120.300 -0.507 0.000 2.903 186 Y HA 0.170 4.719 4.550 -0.000 0.000 0.338 186 Y C -0.919 174.649 175.900 -0.554 0.000 1.265 186 Y CA -0.738 56.705 58.100 -1.095 0.000 1.532 186 Y CB 1.009 38.591 38.460 -1.463 0.000 1.293 186 Y HN 0.334 nan 8.280 nan 0.000 0.609 187 P HA 0.147 nan 4.420 nan 0.000 0.263 187 P C -0.591 176.491 177.300 -0.362 0.000 1.448 187 P CA -0.053 62.257 63.100 -1.317 0.000 0.983 187 P CB 0.203 31.140 31.700 -1.272 0.000 1.481 188 S N 1.332 116.914 115.700 -0.198 0.000 2.576 188 S HA 0.145 4.615 4.470 -0.000 0.000 0.272 188 S C 0.842 175.568 174.600 0.210 0.000 1.352 188 S CA -0.459 57.753 58.200 0.021 0.000 1.021 188 S CB 0.409 63.617 63.200 0.014 0.000 0.887 188 S HN 0.357 nan 8.310 nan 0.000 0.542 189 R N 0.456 121.038 120.500 0.138 0.000 2.774 189 R HA 0.540 4.880 4.340 -0.000 0.000 0.269 189 R C 0.535 176.904 176.300 0.115 0.000 1.068 189 R CA -0.451 55.718 56.100 0.115 0.000 1.180 189 R CB -0.077 30.255 30.300 0.055 0.000 1.077 189 R HN 0.575 nan 8.270 nan 0.000 0.513 190 G N 0.556 109.386 108.800 0.050 0.000 2.511 190 G HA2 0.376 4.335 3.960 -0.000 0.000 0.316 190 G HA3 0.376 4.335 3.960 -0.000 0.000 0.316 190 G C -1.038 173.821 174.900 -0.069 0.000 1.210 190 G CA -1.043 44.082 45.100 0.042 0.000 0.969 190 G HN 0.483 nan 8.290 nan 0.000 0.492 191 K N -0.326 120.044 120.400 -0.050 0.000 2.270 191 K HA 0.371 4.691 4.320 -0.000 0.000 0.255 191 K C -0.945 175.614 176.600 -0.069 0.000 0.936 191 K CA -0.474 55.783 56.287 -0.049 0.000 0.809 191 K CB 1.953 34.468 32.500 0.026 0.000 1.131 191 K HN 0.349 nan 8.250 nan 0.000 0.427 192 F N 1.674 121.680 119.950 0.095 0.000 2.553 192 F HA -0.036 4.491 4.527 -0.000 0.000 0.356 192 F C 1.459 177.402 175.800 0.238 0.000 1.142 192 F CA 0.372 58.417 58.000 0.075 0.000 1.322 192 F CB 0.592 39.555 39.000 -0.061 0.000 1.126 192 F HN 0.275 nan 8.300 nan 0.000 0.599 193 Q N 2.856 122.869 119.800 0.354 0.000 2.263 193 Q HA 0.348 4.688 4.340 -0.000 0.000 0.337 193 Q C -0.192 176.056 176.000 0.413 0.000 0.906 193 Q CA -0.090 55.934 55.803 0.369 0.000 1.124 193 Q CB 1.155 30.032 28.738 0.231 0.000 1.255 193 Q HN 0.640 nan 8.270 nan 0.000 0.435 194 A N 0.103 123.075 122.820 0.253 0.000 2.956 194 A HA 0.377 4.697 4.320 -0.000 0.000 0.294 194 A C -0.303 177.138 177.584 -0.238 0.000 0.993 194 A CA -0.299 51.812 52.037 0.123 0.000 1.032 194 A CB -0.086 19.064 19.000 0.249 0.000 1.129 194 A HN 0.256 nan 8.150 nan 0.000 0.505 195 Y N 0.286 120.709 120.300 0.205 0.000 2.507 195 Y HA 0.111 4.661 4.550 -0.000 0.000 0.254 195 Y C 1.540 177.521 175.900 0.135 0.000 1.171 195 Y CA 0.324 58.507 58.100 0.137 0.000 1.238 195 Y CB 0.237 38.758 38.460 0.103 0.000 1.148 195 Y HN 0.442 nan 8.280 nan 0.000 0.525 196 T N -2.268 112.419 114.554 0.222 0.000 2.813 196 T HA 0.040 4.390 4.350 -0.000 0.000 0.297 196 T C 1.187 175.973 174.700 0.143 0.000 1.036 196 T CA -0.535 61.659 62.100 0.156 0.000 1.044 196 T CB 1.177 70.075 68.868 0.050 0.000 0.993 196 T HN 0.075 nan 8.240 nan 0.000 0.535 197 E N 0.146 120.424 120.200 0.131 0.000 2.110 197 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 197 E C 1.499 178.193 176.600 0.156 0.000 0.988 197 E CA 0.891 57.367 56.400 0.127 0.000 0.804 197 E CB -0.476 29.294 29.700 0.117 0.000 0.745 197 E HN 0.762 nan 8.360 nan 0.000 0.458 198 F N 1.531 121.492 119.950 0.019 0.000 2.102 198 F HA -0.130 4.396 4.527 -0.001 0.000 0.298 198 F C 2.274 178.131 175.800 0.096 0.000 1.105 198 F CA 1.317 59.338 58.000 0.035 0.000 1.239 198 F CB -0.481 38.512 39.000 -0.011 0.000 0.991 198 F HN -0.006 nan 8.300 nan 0.000 0.474 199 A N 0.349 123.265 122.820 0.160 0.000 1.883 199 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 199 A C 2.259 179.884 177.584 0.068 0.000 1.186 199 A CA 2.115 54.263 52.037 0.184 0.000 0.624 199 A CB -0.750 18.400 19.000 0.250 0.000 0.822 199 A HN 0.466 nan 8.150 nan 0.000 0.444 200 K N 0.330 120.747 120.400 0.028 0.000 2.057 200 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 200 K C 2.402 178.984 176.600 -0.029 0.000 1.049 200 K CA 1.728 58.014 56.287 -0.002 0.000 0.931 200 K CB -0.261 32.258 32.500 0.032 0.000 0.714 200 K HN 0.680 nan 8.250 nan 0.000 0.440 201 S N 1.046 116.714 115.700 -0.054 0.000 2.387 201 S HA -0.053 4.417 4.470 -0.000 0.000 0.226 201 S C 1.779 176.298 174.600 -0.135 0.000 1.026 201 S CA 0.647 58.797 58.200 -0.083 0.000 0.972 201 S CB -0.038 63.127 63.200 -0.059 0.000 0.814 201 S HN 0.081 nan 8.310 nan 0.000 0.477 202 K N 1.183 121.467 120.400 -0.193 0.000 2.026 202 K HA 0.065 4.384 4.320 -0.000 0.000 0.208 202 K C 1.736 178.308 176.600 -0.047 0.000 1.048 202 K CA 1.023 57.265 56.287 -0.074 0.000 0.929 202 K CB -1.036 31.484 32.500 0.033 0.000 0.713 202 K HN 0.493 nan 8.250 nan 0.000 0.439 203 F N 2.482 122.088 119.950 -0.573 0.000 2.102 203 F HA -0.160 4.366 4.527 -0.000 0.000 0.298 203 F C 2.525 178.121 175.800 -0.339 0.000 1.105 203 F CA 1.467 58.804 58.000 -1.105 0.000 1.239 203 F CB -0.341 37.852 39.000 -1.345 0.000 0.991 203 F HN -0.047 nan 8.300 nan 0.000 0.474 204 R N 0.362 120.643 120.500 -0.365 0.000 2.083 204 R HA -0.173 4.166 4.340 -0.000 0.000 0.237 204 R C 2.339 178.516 176.300 -0.205 0.000 1.137 204 R CA 2.077 57.998 56.100 -0.299 0.000 0.951 204 R CB -0.506 29.713 30.300 -0.135 0.000 0.851 204 R HN 0.424 nan 8.270 nan 0.000 0.434 205 L N -1.116 120.040 121.223 -0.112 0.000 2.046 205 L HA -0.200 4.139 4.340 -0.000 0.000 0.208 205 L C 2.357 179.219 176.870 -0.013 0.000 1.077 205 L CA 1.415 56.226 54.840 -0.048 0.000 0.747 205 L CB -0.735 41.323 42.059 -0.003 0.000 0.896 205 L HN 0.396 nan 8.230 nan 0.000 0.432 206 W N 0.775 121.986 121.300 -0.148 0.000 2.335 206 W HA -0.221 4.438 4.660 -0.000 0.000 0.311 206 W C 2.327 178.768 176.519 -0.129 0.000 1.213 206 W CA 1.942 59.248 57.345 -0.064 0.000 1.274 206 W CB -0.275 29.221 29.460 0.059 0.000 1.148 206 W HN -0.201 nan 8.180 nan 0.000 0.498 207 V N 1.066 120.984 119.914 0.007 0.000 2.295 207 V HA -0.330 3.790 4.120 -0.000 0.000 0.246 207 V C 2.309 178.302 176.094 -0.169 0.000 1.049 207 V CA 2.083 64.331 62.300 -0.087 0.000 1.024 207 V CB -1.138 30.577 31.823 -0.180 0.000 0.648 207 V HN 0.241 nan 8.190 nan 0.000 0.447 208 L N 0.454 121.577 121.223 -0.167 0.000 2.191 208 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 208 L C 2.500 179.270 176.870 -0.167 0.000 1.103 208 L CA 1.550 56.305 54.840 -0.141 0.000 0.769 208 L CB -0.686 41.302 42.059 -0.119 0.000 0.908 208 L HN 0.480 nan 8.230 nan 0.000 0.438 209 N N 0.797 119.366 118.700 -0.218 0.000 2.171 209 N HA -0.228 4.511 4.740 -0.000 0.000 0.184 209 N C 1.924 177.225 175.510 -0.348 0.000 1.021 209 N CA 1.314 54.221 53.050 -0.240 0.000 0.854 209 N CB 0.150 38.498 38.487 -0.233 0.000 0.994 209 N HN 0.299 nan 8.380 nan 0.000 0.426 210 K N -0.502 119.566 120.400 -0.553 0.000 2.057 210 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 210 K C 1.383 177.544 176.600 -0.731 0.000 1.049 210 K CA 1.381 57.214 56.287 -0.757 0.000 0.931 210 K CB -0.104 31.702 32.500 -1.156 0.000 0.714 210 K HN 0.258 nan 8.250 nan 0.000 0.440 211 Y N -1.294 118.841 120.300 -0.276 0.000 2.509 211 Y HA 0.188 4.738 4.550 -0.000 0.000 0.270 211 Y C 1.753 177.545 175.900 -0.179 0.000 1.103 211 Y CA 0.324 58.289 58.100 -0.225 0.000 1.278 211 Y CB 0.978 39.269 38.460 -0.282 0.000 1.087 211 Y HN 0.395 nan 8.280 nan 0.000 0.542 212 G N 0.336 109.095 108.800 -0.068 0.000 2.498 212 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.229 212 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.229 212 G C 0.372 175.238 174.900 -0.057 0.000 1.156 212 G CA 0.443 45.503 45.100 -0.067 0.000 0.680 212 G HN 0.626 nan 8.290 nan 0.000 0.512 213 S N -1.027 114.643 115.700 -0.050 0.000 2.579 213 S HA 0.681 5.151 4.470 -0.000 0.000 0.272 213 S C 0.557 175.092 174.600 -0.107 0.000 1.141 213 S CA 0.227 58.385 58.200 -0.070 0.000 0.843 213 S CB 1.888 65.053 63.200 -0.057 0.000 1.122 213 S HN 1.235 nan 8.310 nan 0.000 0.468 214 L N 2.001 123.155 121.223 -0.115 0.000 2.127 214 L HA -0.058 4.282 4.340 -0.000 0.000 0.211 214 L C 2.000 178.773 176.870 -0.161 0.000 1.089 214 L CA 1.922 56.672 54.840 -0.150 0.000 0.757 214 L CB -1.024 40.971 42.059 -0.107 0.000 0.899 214 L HN 0.796 nan 8.230 nan 0.000 0.434 215 N N -0.468 118.163 118.700 -0.116 0.000 2.120 215 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 215 N C 1.604 177.034 175.510 -0.134 0.000 1.024 215 N CA 1.445 54.434 53.050 -0.102 0.000 0.852 215 N CB -0.216 38.230 38.487 -0.067 0.000 1.003 215 N HN 0.455 nan 8.380 nan 0.000 0.424 216 E N 0.975 121.095 120.200 -0.134 0.000 2.106 216 E HA -0.043 4.307 4.350 -0.000 0.000 0.192 216 E C 2.270 178.635 176.600 -0.392 0.000 0.984 216 E CA 0.340 56.655 56.400 -0.142 0.000 0.806 216 E CB -0.231 29.461 29.700 -0.014 0.000 0.750 216 E HN 0.134 nan 8.360 nan 0.000 0.458 217 V N 2.428 122.026 119.914 -0.526 0.000 2.295 217 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 217 V C 2.066 177.708 176.094 -0.753 0.000 1.049 217 V CA 1.665 63.356 62.300 -1.016 0.000 1.024 217 V CB -0.537 30.786 31.823 -0.833 0.000 0.648 217 V HN 0.195 nan 8.190 nan 0.000 0.447 218 N N 0.945 119.420 118.700 -0.375 0.000 2.069 218 N HA -0.195 4.545 4.740 -0.000 0.000 0.191 218 N C 1.887 177.335 175.510 -0.104 0.000 1.031 218 N CA 1.970 54.921 53.050 -0.164 0.000 0.852 218 N CB -0.409 38.018 38.487 -0.099 0.000 1.018 218 N HN 0.721 nan 8.380 nan 0.000 0.423 219 K N 0.298 120.621 120.400 -0.128 0.000 2.211 219 K HA 0.098 4.418 4.320 -0.000 0.000 0.203 219 K C 1.873 178.447 176.600 -0.043 0.000 1.050 219 K CA 1.324 57.573 56.287 -0.063 0.000 0.945 219 K CB -0.080 32.390 32.500 -0.050 0.000 0.732 219 K HN 0.035 nan 8.250 nan 0.000 0.451 220 A N 0.804 123.535 122.820 -0.148 0.000 1.930 220 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 220 A C 1.372 179.071 177.584 0.192 0.000 1.176 220 A CA 0.709 52.708 52.037 -0.063 0.000 0.632 220 A CB -0.653 18.122 19.000 -0.376 0.000 0.819 220 A HN 0.539 nan 8.150 nan 0.000 0.445 221 W N -1.143 120.092 121.300 -0.109 0.000 2.942 221 W HA 0.349 5.009 4.660 -0.000 0.000 0.263 221 W C 1.605 178.121 176.519 -0.005 0.000 1.296 221 W CA 0.249 57.589 57.345 -0.009 0.000 1.504 221 W CB -0.815 28.650 29.460 0.009 0.000 1.096 221 W HN 0.588 nan 8.180 nan 0.000 0.639 222 G N 1.111 110.023 108.800 0.187 0.000 2.160 222 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.251 222 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.251 222 G C 0.415 175.367 174.900 0.087 0.000 1.008 222 G CA 0.730 45.890 45.100 0.100 0.000 0.724 222 G HN 0.271 nan 8.290 nan 0.000 0.514 223 T N -3.019 111.607 114.554 0.121 0.000 2.910 223 T HA 0.771 5.121 4.350 -0.000 0.000 0.279 223 T C 0.204 174.927 174.700 0.039 0.000 0.989 223 T CA -0.608 61.545 62.100 0.088 0.000 0.968 223 T CB 2.107 71.076 68.868 0.168 0.000 1.135 223 T HN -0.022 nan 8.240 nan 0.000 0.562 224 K N 1.362 121.775 120.400 0.022 0.000 3.271 224 K HA 0.338 4.658 4.320 -0.000 0.000 0.192 224 K C -0.564 176.036 176.600 -0.000 0.000 1.108 224 K CA -0.279 56.010 56.287 0.002 0.000 0.902 224 K CB 0.128 32.626 32.500 -0.002 0.000 0.889 224 K HN 0.598 nan 8.250 nan 0.000 0.520 225 L N 1.347 122.573 121.223 0.005 0.000 2.455 225 L HA 0.112 4.451 4.340 -0.000 0.000 0.272 225 L C 1.601 178.462 176.870 -0.015 0.000 1.174 225 L CA -0.206 54.636 54.840 0.003 0.000 0.869 225 L CB 0.299 42.367 42.059 0.015 0.000 1.130 225 L HN 0.144 nan 8.230 nan 0.000 0.474 226 I N 1.248 121.811 120.570 -0.012 0.000 3.427 226 I HA 0.051 4.220 4.170 -0.000 0.000 0.288 226 I C 0.839 176.944 176.117 -0.019 0.000 1.249 226 I CA 0.765 62.056 61.300 -0.016 0.000 1.421 226 I CB 0.409 38.402 38.000 -0.011 0.000 1.086 226 I HN 0.586 nan 8.210 nan 0.000 0.448 227 S N -0.997 114.693 115.700 -0.016 0.000 2.564 227 S HA 0.332 4.802 4.470 -0.000 0.000 0.274 227 S C 0.663 175.250 174.600 -0.022 0.000 1.124 227 S CA -0.584 57.605 58.200 -0.018 0.000 0.869 227 S CB 1.108 64.302 63.200 -0.010 0.000 1.105 227 S HN 0.243 nan 8.310 nan 0.000 0.472 228 E N 1.943 122.124 120.200 -0.031 0.000 2.204 228 E HA -0.056 4.294 4.350 -0.000 0.000 0.195 228 E C 1.322 177.908 176.600 -0.022 0.000 0.990 228 E CA 0.901 57.276 56.400 -0.042 0.000 0.821 228 E CB -0.214 29.456 29.700 -0.051 0.000 0.750 228 E HN 0.589 nan 8.360 nan 0.000 0.477 229 L N 0.332 121.550 121.223 -0.008 0.000 2.362 229 L HA -0.062 4.278 4.340 -0.000 0.000 0.219 229 L C 2.305 179.188 176.870 0.022 0.000 1.134 229 L CA 0.366 55.210 54.840 0.007 0.000 0.807 229 L CB -0.247 41.818 42.059 0.009 0.000 0.927 229 L HN 0.123 nan 8.230 nan 0.000 0.447 230 A N -0.035 122.798 122.820 0.021 0.000 2.167 230 A HA 0.093 4.413 4.320 -0.000 0.000 0.214 230 A C 1.164 178.794 177.584 0.077 0.000 1.151 230 A CA 0.098 52.155 52.037 0.034 0.000 0.735 230 A CB -0.401 18.612 19.000 0.022 0.000 0.802 230 A HN 0.292 nan 8.150 nan 0.000 0.467 231 I N 1.377 122.000 120.570 0.090 0.000 2.406 231 I HA 0.252 4.422 4.170 -0.000 0.000 0.293 231 I C -0.480 175.759 176.117 0.204 0.000 1.101 231 I CA 0.469 61.882 61.300 0.187 0.000 1.334 231 I CB 0.051 38.082 38.000 0.052 0.000 1.421 231 I HN 0.179 nan 8.210 nan 0.000 0.513 232 L N 7.925 129.323 121.223 0.291 0.000 2.491 232 L HA 0.592 4.931 4.340 -0.000 0.000 0.254 232 L C -2.382 174.572 176.870 0.139 0.000 1.048 232 L CA -1.823 53.142 54.840 0.208 0.000 0.855 232 L CB 2.531 44.636 42.059 0.078 0.000 1.466 232 L HN 0.308 nan 8.230 nan 0.000 0.409 233 P HA 0.217 nan 4.420 nan 0.000 0.275 233 P C -2.692 174.281 177.300 -0.545 0.000 1.266 233 P CA -1.496 61.145 63.100 -0.765 0.000 0.793 233 P CB -0.584 30.552 31.700 -0.940 0.000 1.074 234 P HA -0.076 nan 4.420 nan 0.000 0.257 234 P C 1.171 178.374 177.300 -0.162 0.000 1.162 234 P CA 0.727 63.491 63.100 -0.560 0.000 0.762 234 P CB -0.121 30.951 31.700 -1.048 0.000 0.753 235 S N 1.328 116.966 115.700 -0.105 0.000 2.387 235 S HA -0.096 4.374 4.470 -0.000 0.000 0.226 235 S C 0.645 175.223 174.600 -0.035 0.000 1.026 235 S CA 0.828 59.001 58.200 -0.046 0.000 0.972 235 S CB -0.235 62.934 63.200 -0.052 0.000 0.814 235 S HN 0.502 nan 8.310 nan 0.000 0.477 236 D N 0.315 120.712 120.400 -0.005 0.000 2.473 236 D HA 0.536 5.176 4.640 -0.000 0.000 0.253 236 D C 0.975 177.347 176.300 0.120 0.000 1.233 236 D CA -0.177 53.845 54.000 0.036 0.000 0.908 236 D CB 1.137 41.961 40.800 0.040 0.000 1.170 236 D HN 0.040 nan 8.370 nan 0.000 0.558 237 G N 2.896 111.784 108.800 0.147 0.000 2.442 237 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.219 237 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.219 237 G C 1.133 176.225 174.900 0.320 0.000 1.141 237 G CA 0.897 46.188 45.100 0.317 0.000 0.763 237 G HN 0.581 nan 8.290 nan 0.000 0.554 238 E N -0.310 120.002 120.200 0.185 0.000 2.028 238 E HA -0.190 4.159 4.350 -0.000 0.000 0.191 238 E C 2.417 179.108 176.600 0.152 0.000 0.988 238 E CA 1.105 57.592 56.400 0.145 0.000 0.799 238 E CB -0.240 29.513 29.700 0.089 0.000 0.755 238 E HN 0.450 nan 8.360 nan 0.000 0.447 239 Q N 0.049 119.933 119.800 0.140 0.000 2.124 239 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 239 Q C 2.013 178.111 176.000 0.164 0.000 0.977 239 Q CA 1.320 57.194 55.803 0.118 0.000 0.850 239 Q CB -0.326 28.463 28.738 0.086 0.000 0.901 239 Q HN 0.378 nan 8.270 nan 0.000 0.429 240 F N 0.944 120.953 119.950 0.098 0.000 2.134 240 F HA -0.130 4.397 4.527 -0.001 0.000 0.299 240 F C 1.972 177.926 175.800 0.257 0.000 1.097 240 F CA 1.165 59.243 58.000 0.130 0.000 1.264 240 F CB -0.189 38.849 39.000 0.063 0.000 1.001 240 F HN 0.042 nan 8.300 nan 0.000 0.479 241 L N -0.652 120.740 121.223 0.281 0.000 2.291 241 L HA -0.175 4.164 4.340 -0.000 0.000 0.214 241 L C 2.265 179.212 176.870 0.128 0.000 1.120 241 L CA 0.778 55.710 54.840 0.154 0.000 0.799 241 L CB -0.442 41.709 42.059 0.153 0.000 0.925 241 L HN 0.265 nan 8.230 nan 0.000 0.446 242 M N -0.066 119.626 119.600 0.154 0.000 2.216 242 M HA -0.064 4.416 4.480 -0.000 0.000 0.264 242 M C 1.386 177.795 176.300 0.183 0.000 1.080 242 M CA 1.529 56.915 55.300 0.144 0.000 1.153 242 M CB 0.051 32.697 32.600 0.077 0.000 1.356 242 M HN 0.392 nan 8.290 nan 0.000 0.432 243 N N -1.999 116.729 118.700 0.046 0.000 1.885 243 N HA 0.060 4.800 4.740 -0.000 0.000 0.229 243 N C 1.223 176.524 175.510 -0.348 0.000 1.411 243 N CA 0.640 53.569 53.050 -0.202 0.000 0.790 243 N CB -0.861 37.548 38.487 -0.130 0.000 1.064 243 N HN 0.162 nan 8.380 nan 0.000 0.492 244 G N 1.328 109.982 108.800 -0.243 0.000 2.440 244 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 244 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 244 G C 1.283 175.837 174.900 -0.578 0.000 1.154 244 G CA 1.312 46.244 45.100 -0.279 0.000 0.767 244 G HN 0.541 nan 8.290 nan 0.000 0.552 245 Y N 0.287 120.002 120.300 -0.976 0.000 2.465 245 Y HA 0.120 4.669 4.550 -0.000 0.000 0.289 245 Y C 2.042 177.786 175.900 -0.260 0.000 1.150 245 Y CA 0.595 58.251 58.100 -0.740 0.000 1.293 245 Y CB -0.392 37.733 38.460 -0.558 0.000 0.977 245 Y HN 0.134 nan 8.280 nan 0.000 0.556 246 L N 0.695 121.418 121.223 -0.833 0.000 2.418 246 L HA 0.040 4.380 4.340 -0.000 0.000 0.218 246 L C 1.324 178.060 176.870 -0.223 0.000 1.125 246 L CA 0.275 54.786 54.840 -0.548 0.000 0.835 246 L CB -0.438 41.251 42.059 -0.617 0.000 0.953 246 L HN 0.315 nan 8.230 nan 0.000 0.454 247 S N -1.092 114.509 115.700 -0.165 0.000 2.632 247 S HA 0.121 4.591 4.470 -0.000 0.000 0.267 247 S C 0.886 175.493 174.600 0.012 0.000 1.276 247 S CA -0.638 57.533 58.200 -0.049 0.000 0.998 247 S CB 1.378 64.565 63.200 -0.021 0.000 0.953 247 S HN 0.062 nan 8.310 nan 0.000 0.547 248 M N 1.105 120.743 119.600 0.064 0.000 2.108 248 M HA -0.071 4.409 4.480 -0.000 0.000 0.261 248 M C 1.696 178.031 176.300 0.057 0.000 1.066 248 M CA 1.713 57.105 55.300 0.154 0.000 1.107 248 M CB -1.282 31.485 32.600 0.280 0.000 1.356 248 M HN 0.897 nan 8.290 nan 0.000 0.406 249 Y N -0.164 119.888 120.300 -0.414 0.000 2.128 249 Y HA -0.062 4.488 4.550 -0.000 0.000 0.284 249 Y C 2.048 177.834 175.900 -0.190 0.000 1.154 249 Y CA 2.119 59.679 58.100 -0.899 0.000 1.149 249 Y CB -1.074 36.722 38.460 -1.107 0.000 0.976 249 Y HN 0.244 nan 8.280 nan 0.000 0.505 250 G N 0.126 108.861 108.800 -0.109 0.000 2.440 250 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.218 250 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.218 250 G C 1.628 176.602 174.900 0.123 0.000 1.154 250 G CA 1.130 46.288 45.100 0.097 0.000 0.767 250 G HN 0.303 nan 8.290 nan 0.000 0.552 251 K N 0.646 121.110 120.400 0.106 0.000 1.991 251 K HA -0.060 4.259 4.320 -0.000 0.000 0.212 251 K C 2.270 179.005 176.600 0.225 0.000 1.049 251 K CA 1.520 57.913 56.287 0.177 0.000 0.932 251 K CB -0.388 32.231 32.500 0.199 0.000 0.717 251 K HN 0.135 nan 8.250 nan 0.000 0.441 252 D N -0.920 119.665 120.400 0.309 0.000 2.092 252 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 252 D C 1.899 178.357 176.300 0.263 0.000 0.994 252 D CA 1.168 55.477 54.000 0.515 0.000 0.828 252 D CB -0.420 40.931 40.800 0.918 0.000 0.963 252 D HN 0.205 nan 8.370 nan 0.000 0.450 253 Y N 1.236 121.498 120.300 -0.064 0.000 2.165 253 Y HA -0.156 4.394 4.550 -0.000 0.000 0.286 253 Y C 2.224 178.026 175.900 -0.163 0.000 1.155 253 Y CA 1.322 59.184 58.100 -0.397 0.000 1.164 253 Y CB -0.419 37.451 38.460 -0.984 0.000 0.978 253 Y HN -0.064 nan 8.280 nan 0.000 0.513 254 L N -0.055 121.103 121.223 -0.107 0.000 2.156 254 L HA -0.149 4.190 4.340 -0.000 0.000 0.208 254 L C 2.540 179.407 176.870 -0.004 0.000 1.095 254 L CA 1.574 56.404 54.840 -0.016 0.000 0.770 254 L CB -0.502 41.671 42.059 0.191 0.000 0.914 254 L HN 0.303 nan 8.230 nan 0.000 0.439 255 E N -0.162 120.048 120.200 0.018 0.000 2.047 255 E HA -0.281 4.069 4.350 -0.000 0.000 0.191 255 E C 2.091 178.601 176.600 -0.151 0.000 0.987 255 E CA 1.530 57.952 56.400 0.037 0.000 0.799 255 E CB -0.226 29.589 29.700 0.192 0.000 0.752 255 E HN 0.467 nan 8.360 nan 0.000 0.449 256 W N 0.347 121.265 121.300 -0.637 0.000 2.355 256 W HA -0.279 4.380 4.660 -0.001 0.000 0.309 256 W C 2.037 178.293 176.519 -0.437 0.000 1.206 256 W CA 1.946 58.778 57.345 -0.855 0.000 1.284 256 W CB -0.717 28.079 29.460 -1.107 0.000 1.145 256 W HN 0.198 nan 8.180 nan 0.000 0.502 257 Y N 1.360 121.288 120.300 -0.620 0.000 2.128 257 Y HA -0.333 4.217 4.550 -0.000 0.000 0.284 257 Y C 2.827 178.515 175.900 -0.353 0.000 1.154 257 Y CA 2.906 60.582 58.100 -0.706 0.000 1.149 257 Y CB -1.108 36.938 38.460 -0.689 0.000 0.976 257 Y HN 0.220 nan 8.280 nan 0.000 0.505 258 Q N -0.776 118.925 119.800 -0.165 0.000 2.123 258 Q HA -0.066 4.274 4.340 -0.000 0.000 0.199 258 Q C 2.426 178.334 176.000 -0.154 0.000 0.966 258 Q CA 1.198 56.938 55.803 -0.106 0.000 0.845 258 Q CB -0.548 28.204 28.738 0.023 0.000 0.907 258 Q HN 0.582 nan 8.270 nan 0.000 0.439 259 G N 1.602 110.285 108.800 -0.194 0.000 2.475 259 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 259 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 259 G C 1.342 176.112 174.900 -0.217 0.000 1.125 259 G CA 0.882 45.882 45.100 -0.167 0.000 0.755 259 G HN 0.338 nan 8.290 nan 0.000 0.565 260 I N 0.845 121.183 120.570 -0.388 0.000 2.286 260 I HA -0.094 4.076 4.170 -0.000 0.000 0.248 260 I C 2.786 178.778 176.117 -0.209 0.000 1.115 260 I CA 0.804 61.898 61.300 -0.345 0.000 1.392 260 I CB -1.099 36.612 38.000 -0.482 0.000 1.065 260 I HN 0.198 nan 8.210 nan 0.000 0.418 261 L N 0.040 121.131 121.223 -0.220 0.000 2.156 261 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 261 L C 2.422 179.290 176.870 -0.003 0.000 1.095 261 L CA 1.000 55.769 54.840 -0.119 0.000 0.770 261 L CB -0.514 41.460 42.059 -0.141 0.000 0.914 261 L HN 0.267 nan 8.230 nan 0.000 0.439 262 E N 0.169 120.362 120.200 -0.013 0.000 2.072 262 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 262 E C 1.840 178.438 176.600 -0.003 0.000 0.985 262 E CA 0.945 57.355 56.400 0.017 0.000 0.801 262 E CB -0.054 29.662 29.700 0.028 0.000 0.750 262 E HN 0.449 nan 8.360 nan 0.000 0.452 263 N N 0.361 119.056 118.700 -0.009 0.000 2.244 263 N HA -0.154 4.585 4.740 -0.000 0.000 0.183 263 N C 1.692 177.215 175.510 0.022 0.000 1.016 263 N CA 0.980 54.032 53.050 0.003 0.000 0.866 263 N CB -0.320 38.168 38.487 0.001 0.000 0.980 263 N HN 0.237 nan 8.380 nan 0.000 0.430 264 H N 0.644 119.661 119.070 -0.088 0.000 2.389 264 H HA 0.051 4.607 4.556 -0.000 0.000 0.299 264 H C 1.559 176.840 175.328 -0.078 0.000 1.081 264 H CA 1.711 57.706 56.048 -0.088 0.000 1.345 264 H CB -0.233 29.467 29.762 -0.104 0.000 1.393 264 H HN 0.038 nan 8.280 nan 0.000 0.520 265 T N 0.531 114.996 114.554 -0.148 0.000 2.708 265 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 265 T C 1.869 176.447 174.700 -0.203 0.000 1.037 265 T CA 1.721 63.659 62.100 -0.270 0.000 1.146 265 T CB -0.046 68.630 68.868 -0.320 0.000 0.865 265 T HN 0.383 nan 8.240 nan 0.000 0.435 266 K N 0.501 120.834 120.400 -0.111 0.000 2.097 266 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 266 K C 2.164 178.736 176.600 -0.046 0.000 1.049 266 K CA 0.787 57.041 56.287 -0.055 0.000 0.933 266 K CB -0.325 32.163 32.500 -0.020 0.000 0.717 266 K HN 0.124 nan 8.250 nan 0.000 0.442 267 L N 1.976 123.158 121.223 -0.067 0.000 1.988 267 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 267 L C 2.079 178.909 176.870 -0.066 0.000 1.071 267 L CA 1.465 56.269 54.840 -0.059 0.000 0.744 267 L CB -0.494 41.532 42.059 -0.055 0.000 0.893 267 L HN 0.242 nan 8.230 nan 0.000 0.433 268 I N -2.885 117.600 120.570 -0.141 0.000 2.454 268 I HA -0.051 4.119 4.170 -0.000 0.000 0.254 268 I C 2.205 178.350 176.117 0.046 0.000 1.156 268 I CA 1.373 62.661 61.300 -0.019 0.000 1.433 268 I CB -1.468 36.493 38.000 -0.065 0.000 1.082 268 I HN 0.264 nan 8.210 nan 0.000 0.432 269 G N 1.070 109.852 108.800 -0.030 0.000 2.402 269 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 269 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 269 G C 1.564 176.527 174.900 0.106 0.000 1.162 269 G CA 0.839 45.940 45.100 0.003 0.000 0.777 269 G HN 0.600 nan 8.290 nan 0.000 0.539 270 E N 0.234 120.491 120.200 0.096 0.000 2.038 270 E HA -0.117 4.232 4.350 -0.000 0.000 0.195 270 E C 2.551 179.208 176.600 0.095 0.000 1.000 270 E CA 0.848 57.312 56.400 0.107 0.000 0.803 270 E CB -0.258 29.473 29.700 0.051 0.000 0.750 270 E HN 0.433 nan 8.360 nan 0.000 0.448 271 L N 0.543 121.811 121.223 0.075 0.000 2.012 271 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 271 L C 2.799 179.745 176.870 0.127 0.000 1.073 271 L CA 1.330 56.220 54.840 0.083 0.000 0.748 271 L CB -0.661 41.425 42.059 0.046 0.000 0.891 271 L HN 0.242 nan 8.230 nan 0.000 0.431 272 A N -0.876 122.042 122.820 0.162 0.000 1.877 272 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 272 A C 2.158 179.698 177.584 -0.073 0.000 1.186 272 A CA 1.507 53.529 52.037 -0.025 0.000 0.620 272 A CB -0.814 18.153 19.000 -0.055 0.000 0.822 272 A HN 0.426 nan 8.150 nan 0.000 0.443 273 H N 0.122 119.240 119.070 0.080 0.000 2.387 273 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 273 H C 1.881 177.227 175.328 0.030 0.000 1.090 273 H CA 1.632 57.725 56.048 0.076 0.000 1.332 273 H CB -0.226 29.569 29.762 0.055 0.000 1.386 273 H HN 0.439 nan 8.280 nan 0.000 0.516 274 N N 0.630 119.390 118.700 0.099 0.000 2.166 274 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 274 N C 1.977 177.463 175.510 -0.040 0.000 1.019 274 N CA 1.211 54.281 53.050 0.032 0.000 0.856 274 N CB -0.239 38.258 38.487 0.016 0.000 0.993 274 N HN 0.334 nan 8.380 nan 0.000 0.426 275 A N -0.772 121.936 122.820 -0.186 0.000 1.975 275 A HA 0.156 4.475 4.320 -0.000 0.000 0.215 275 A C 1.568 178.983 177.584 -0.282 0.000 1.170 275 A CA 0.541 52.361 52.037 -0.362 0.000 0.656 275 A CB -0.323 18.269 19.000 -0.681 0.000 0.821 275 A HN 0.262 nan 8.150 nan 0.000 0.449 276 F N -0.922 119.107 119.950 0.131 0.000 2.694 276 F HA 0.089 4.616 4.527 -0.000 0.000 0.292 276 F C 1.693 177.622 175.800 0.216 0.000 1.121 276 F CA -0.181 57.951 58.000 0.221 0.000 1.352 276 F CB 0.161 39.209 39.000 0.081 0.000 1.107 276 F HN 0.043 nan 8.300 nan 0.000 0.597 277 D N 0.810 121.395 120.400 0.307 0.000 2.108 277 D HA -0.187 4.453 4.640 -0.000 0.000 0.190 277 D C 2.440 178.824 176.300 0.140 0.000 0.995 277 D CA 2.584 56.720 54.000 0.228 0.000 0.834 277 D CB -0.894 40.023 40.800 0.195 0.000 0.967 277 D HN 0.231 nan 8.370 nan 0.000 0.446 278 T N -1.751 112.854 114.554 0.085 0.000 2.788 278 T HA -0.133 4.216 4.350 -0.000 0.000 0.268 278 T C 1.937 176.620 174.700 -0.029 0.000 1.044 278 T CA 2.126 64.240 62.100 0.023 0.000 1.139 278 T CB -0.779 68.090 68.868 0.003 0.000 0.867 278 T HN 0.178 nan 8.240 nan 0.000 0.454 279 T N -0.257 114.263 114.554 -0.056 0.000 2.894 279 T HA 0.226 4.575 4.350 -0.000 0.000 0.258 279 T C 1.502 175.934 174.700 -0.446 0.000 1.043 279 T CA 0.459 62.382 62.100 -0.295 0.000 1.141 279 T CB -0.463 68.132 68.868 -0.455 0.000 0.873 279 T HN 0.445 nan 8.240 nan 0.000 0.449 280 F N 1.323 121.311 119.950 0.063 0.000 2.559 280 F HA 0.305 4.832 4.527 -0.000 0.000 0.286 280 F C 1.061 176.878 175.800 0.029 0.000 1.108 280 F CA -0.488 57.532 58.000 0.034 0.000 1.436 280 F CB -0.395 38.616 39.000 0.018 0.000 1.130 280 F HN 0.004 nan 8.300 nan 0.000 0.584 281 Q N 0.694 120.616 119.800 0.203 0.000 2.457 281 Q HA -0.168 4.172 4.340 -0.000 0.000 0.283 281 Q C -0.429 175.643 176.000 0.120 0.000 1.234 281 Q CA 0.419 56.302 55.803 0.133 0.000 0.877 281 Q CB -2.471 26.312 28.738 0.076 0.000 1.250 281 Q HN 0.377 nan 8.270 nan 0.000 0.481 282 V N -3.374 116.617 119.914 0.129 0.000 2.975 282 V HA 0.822 4.941 4.120 -0.000 0.000 0.318 282 V C -1.902 174.206 176.094 0.023 0.000 1.077 282 V CA -2.185 60.148 62.300 0.055 0.000 1.000 282 V CB 1.388 33.213 31.823 0.003 0.000 1.066 282 V HN 0.007 nan 8.190 nan 0.000 0.452 283 P HA 0.490 nan 4.420 nan 0.000 0.274 283 P C -0.955 176.279 177.300 -0.109 0.000 1.231 283 P CA -0.143 62.945 63.100 -0.021 0.000 0.790 283 P CB 1.104 32.785 31.700 -0.031 0.000 0.951 284 I N 0.829 121.348 120.570 -0.086 0.000 2.436 284 I HA 0.522 4.692 4.170 -0.000 0.000 0.289 284 I C 0.725 176.763 176.117 -0.132 0.000 1.010 284 I CA -0.416 60.773 61.300 -0.184 0.000 1.098 284 I CB 2.105 39.962 38.000 -0.239 0.000 1.266 284 I HN 0.399 nan 8.210 nan 0.000 0.434 285 G N 3.773 112.452 108.800 -0.203 0.000 2.600 285 G HA2 0.901 4.861 3.960 -0.000 0.000 0.303 285 G HA3 0.901 4.861 3.960 -0.000 0.000 0.303 285 G C -1.520 173.497 174.900 0.195 0.000 1.253 285 G CA -0.645 44.433 45.100 -0.037 0.000 0.974 285 G HN 0.776 nan 8.290 nan 0.000 0.483 286 A N -0.078 122.963 122.820 0.369 0.000 2.566 286 A HA 0.855 5.174 4.320 -0.000 0.000 0.292 286 A C -0.740 177.117 177.584 0.455 0.000 1.112 286 A CA -0.796 51.468 52.037 0.377 0.000 0.707 286 A CB 1.707 20.831 19.000 0.207 0.000 1.302 286 A HN 0.578 nan 8.150 nan 0.000 0.409 287 K N 0.415 120.997 120.400 0.304 0.000 2.203 287 K HA 0.724 5.043 4.320 -0.000 0.000 0.251 287 K C -1.356 175.399 176.600 0.259 0.000 0.944 287 K CA -0.315 56.103 56.287 0.217 0.000 0.829 287 K CB 2.199 34.718 32.500 0.032 0.000 1.125 287 K HN 0.551 nan 8.250 nan 0.000 0.430 288 I N 1.956 122.651 120.570 0.208 0.000 2.406 288 I HA 0.291 4.461 4.170 -0.000 0.000 0.290 288 I C -0.212 175.982 176.117 0.128 0.000 0.999 288 I CA -0.892 60.544 61.300 0.227 0.000 1.124 288 I CB 1.926 40.020 38.000 0.155 0.000 1.289 288 I HN 0.683 nan 8.210 nan 0.000 0.441 289 A N 4.256 127.230 122.820 0.256 0.000 2.388 289 A HA 0.559 4.879 4.320 -0.000 0.000 0.257 289 A C 0.626 178.226 177.584 0.026 0.000 1.095 289 A CA -0.303 51.821 52.037 0.144 0.000 0.791 289 A CB 0.401 19.600 19.000 0.332 0.000 1.029 289 A HN 0.904 nan 8.150 nan 0.000 0.489 290 G N 1.442 110.072 108.800 -0.283 0.000 2.770 290 G HA2 0.443 4.403 3.960 -0.000 0.000 0.307 290 G HA3 0.443 4.403 3.960 -0.000 0.000 0.307 290 G C -0.223 174.706 174.900 0.048 0.000 0.863 290 G CA -0.213 44.749 45.100 -0.231 0.000 1.595 290 G HN 0.665 nan 8.290 nan 0.000 0.496 291 V N 3.754 123.684 119.914 0.025 0.000 2.287 291 V HA 0.072 4.191 4.120 -0.000 0.000 0.246 291 V C 1.178 177.091 176.094 -0.302 0.000 1.165 291 V CA -0.214 61.794 62.300 -0.486 0.000 1.088 291 V CB -0.857 30.717 31.823 -0.414 0.000 1.242 291 V HN 0.948 nan 8.190 nan 0.000 0.497 292 H N 1.487 120.479 119.070 -0.131 0.000 2.563 292 H HA 0.124 4.680 4.556 -0.000 0.000 0.264 292 H C 0.598 176.091 175.328 0.275 0.000 0.957 292 H CA -0.562 55.564 56.048 0.131 0.000 1.173 292 H CB -0.097 29.767 29.762 0.170 0.000 1.420 292 H HN 0.632 nan 8.280 nan 0.000 0.551 293 W N 0.550 121.820 121.300 -0.050 0.000 2.215 293 W HA 0.407 5.067 4.660 -0.000 0.000 0.342 293 W C 0.036 176.639 176.519 0.140 0.000 1.237 293 W CA -1.087 56.322 57.345 0.106 0.000 1.283 293 W CB 0.861 30.348 29.460 0.046 0.000 1.131 293 W HN -0.030 nan 8.180 nan 0.000 0.606 294 Q N -0.005 120.008 119.800 0.355 0.000 2.468 294 Q HA -0.358 3.981 4.340 -0.000 0.000 0.256 294 Q C 0.584 176.637 176.000 0.087 0.000 0.984 294 Q CA 1.749 57.665 55.803 0.188 0.000 1.110 294 Q CB -2.833 25.966 28.738 0.103 0.000 1.527 294 Q HN 0.927 nan 8.270 nan 0.000 0.535 295 Y N 2.305 122.645 120.300 0.067 0.000 2.092 295 Y HA -0.163 4.387 4.550 -0.001 0.000 0.282 295 Y C 1.677 177.462 175.900 -0.191 0.000 1.126 295 Y CA 2.255 60.378 58.100 0.039 0.000 1.111 295 Y CB 0.067 38.630 38.460 0.171 0.000 0.987 295 Y HN 0.424 nan 8.280 nan 0.000 0.489 296 N N 0.521 119.366 118.700 0.242 0.000 2.376 296 N HA -0.030 4.710 4.740 -0.000 0.000 0.249 296 N C -0.888 174.473 175.510 -0.248 0.000 1.140 296 N CA -0.068 53.007 53.050 0.042 0.000 0.870 296 N CB -0.974 37.682 38.487 0.282 0.000 1.124 296 N HN 0.288 nan 8.380 nan 0.000 0.505 297 N N 2.514 120.927 118.700 -0.479 0.000 2.483 297 N HA 0.045 4.785 4.740 -0.000 0.000 0.264 297 N C -1.274 173.938 175.510 -0.496 0.000 1.197 297 N CA -1.037 51.469 53.050 -0.908 0.000 0.927 297 N CB 1.496 39.638 38.487 -0.575 0.000 1.065 297 N HN 0.086 nan 8.380 nan 0.000 0.461 298 P HA -0.117 nan 4.420 nan 0.000 0.216 298 P C 0.966 178.194 177.300 -0.119 0.000 1.153 298 P CA 1.752 64.743 63.100 -0.181 0.000 0.848 298 P CB 0.092 31.735 31.700 -0.095 0.000 0.787 299 T N -1.872 112.615 114.554 -0.112 0.000 3.031 299 T HA 0.112 4.461 4.350 -0.000 0.000 0.254 299 T C 1.257 175.932 174.700 -0.042 0.000 1.060 299 T CA 0.172 62.244 62.100 -0.047 0.000 1.135 299 T CB -0.793 68.067 68.868 -0.014 0.000 0.896 299 T HN 0.184 nan 8.240 nan 0.000 0.472 300 I N 0.310 120.824 120.570 -0.094 0.000 2.697 300 I HA 0.485 4.655 4.170 -0.000 0.000 0.279 300 I C -3.058 172.945 176.117 -0.190 0.000 1.171 300 I CA -2.937 58.307 61.300 -0.093 0.000 1.135 300 I CB 1.227 39.203 38.000 -0.041 0.000 1.445 300 I HN -0.213 nan 8.210 nan 0.000 0.541 301 P HA -0.002 nan 4.420 nan 0.000 0.267 301 P C -0.304 176.757 177.300 -0.399 0.000 1.209 301 P CA 0.640 63.483 63.100 -0.429 0.000 0.763 301 P CB 0.184 31.652 31.700 -0.386 0.000 0.816 302 H N 1.568 120.498 119.070 -0.233 0.000 2.770 302 H HA -0.143 4.413 4.556 -0.000 0.000 0.309 302 H C 1.515 176.742 175.328 -0.167 0.000 1.206 302 H CA 0.937 56.860 56.048 -0.208 0.000 1.147 302 H CB -2.294 27.326 29.762 -0.236 0.000 1.422 302 H HN 0.721 nan 8.280 nan 0.000 0.420 303 G N -0.369 108.381 108.800 -0.083 0.000 2.535 303 G HA2 0.050 4.009 3.960 -0.000 0.000 0.218 303 G HA3 0.050 4.009 3.960 -0.000 0.000 0.218 303 G C 1.492 176.340 174.900 -0.086 0.000 1.122 303 G CA 0.903 45.963 45.100 -0.067 0.000 0.769 303 G HN 0.620 nan 8.290 nan 0.000 0.549 304 A N -0.008 122.724 122.820 -0.146 0.000 2.055 304 A HA 0.364 4.684 4.320 -0.000 0.000 0.205 304 A C 1.934 179.371 177.584 -0.244 0.000 1.235 304 A CA 0.933 52.811 52.037 -0.266 0.000 0.822 304 A CB 0.180 18.736 19.000 -0.740 0.000 0.903 304 A HN 0.314 nan 8.150 nan 0.000 0.473 305 E N 0.650 120.766 120.200 -0.140 0.000 2.015 305 E HA -0.154 4.195 4.350 -0.000 0.000 0.191 305 E C 1.844 178.433 176.600 -0.018 0.000 0.991 305 E CA 1.400 57.798 56.400 -0.003 0.000 0.802 305 E CB -0.133 29.641 29.700 0.123 0.000 0.759 305 E HN 0.494 nan 8.360 nan 0.000 0.447 306 K N 0.075 120.469 120.400 -0.011 0.000 2.044 306 K HA -0.164 4.155 4.320 -0.000 0.000 0.210 306 K C -0.730 175.881 176.600 0.019 0.000 1.049 306 K CA 1.721 58.042 56.287 0.058 0.000 0.927 306 K CB -0.951 31.626 32.500 0.128 0.000 0.713 306 K HN 0.094 nan 8.250 nan 0.000 0.443 307 P HA -0.121 nan 4.420 nan 0.000 0.220 307 P C 0.730 178.017 177.300 -0.022 0.000 1.148 307 P CA 1.324 64.097 63.100 -0.545 0.000 0.803 307 P CB 0.067 31.391 31.700 -0.627 0.000 0.782 308 A N -0.985 121.807 122.820 -0.046 0.000 2.168 308 A HA 0.301 4.621 4.320 -0.000 0.000 0.215 308 A C 1.777 179.255 177.584 -0.176 0.000 1.152 308 A CA 1.327 53.307 52.037 -0.096 0.000 0.716 308 A CB -1.234 17.644 19.000 -0.202 0.000 0.794 308 A HN 0.273 nan 8.150 nan 0.000 0.465 309 G N -3.016 105.775 108.800 -0.015 0.000 2.184 309 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.206 309 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.206 309 G C -0.239 174.660 174.900 -0.003 0.000 0.995 309 G CA 0.034 45.142 45.100 0.012 0.000 0.651 309 G HN 0.351 nan 8.290 nan 0.000 0.511 310 Y N 1.729 122.017 120.300 -0.020 0.000 2.676 310 Y HA 0.483 5.033 4.550 -0.000 0.000 0.338 310 Y C 1.067 176.770 175.900 -0.329 0.000 1.057 310 Y CA -1.375 56.557 58.100 -0.281 0.000 1.314 310 Y CB 0.299 38.534 38.460 -0.374 0.000 1.164 310 Y HN 0.278 nan 8.280 nan 0.000 0.509 311 N N 0.939 119.584 118.700 -0.093 0.000 2.463 311 N HA -0.066 4.673 4.740 -0.000 0.000 0.183 311 N C -0.774 174.644 175.510 -0.152 0.000 1.064 311 N CA 0.414 53.415 53.050 -0.081 0.000 0.879 311 N CB 0.706 39.230 38.487 0.061 0.000 1.148 311 N HN 0.449 nan 8.380 nan 0.000 0.451 312 D N -0.224 120.071 120.400 -0.175 0.000 2.330 312 D HA 0.106 4.746 4.640 -0.000 0.000 0.249 312 D C -0.005 176.218 176.300 -0.129 0.000 1.306 312 D CA -0.516 53.396 54.000 -0.146 0.000 0.956 312 D CB 0.050 40.775 40.800 -0.126 0.000 1.261 312 D HN 0.035 nan 8.370 nan 0.000 0.544 313 Y N 1.207 121.469 120.300 -0.064 0.000 2.315 313 Y HA -0.193 4.357 4.550 -0.001 0.000 0.288 313 Y C 2.587 178.448 175.900 -0.066 0.000 1.154 313 Y CA 1.358 59.404 58.100 -0.090 0.000 1.229 313 Y CB 0.037 38.402 38.460 -0.159 0.000 0.980 313 Y HN 0.329 nan 8.280 nan 0.000 0.540 314 S N -0.762 114.976 115.700 0.064 0.000 2.345 314 S HA -0.215 4.254 4.470 -0.000 0.000 0.220 314 S C 1.894 176.574 174.600 0.134 0.000 1.031 314 S CA 1.451 59.675 58.200 0.041 0.000 0.996 314 S CB -0.338 62.840 63.200 -0.036 0.000 0.882 314 S HN 0.466 nan 8.310 nan 0.000 0.445 315 H N 0.798 119.907 119.070 0.064 0.000 2.387 315 H HA 0.005 4.561 4.556 -0.000 0.000 0.299 315 H C 2.050 177.432 175.328 0.090 0.000 1.090 315 H CA 1.421 57.511 56.048 0.071 0.000 1.332 315 H CB -0.879 28.921 29.762 0.064 0.000 1.386 315 H HN 0.332 nan 8.280 nan 0.000 0.516 316 L N 0.395 121.747 121.223 0.216 0.000 2.017 316 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 316 L C 2.255 179.286 176.870 0.268 0.000 1.073 316 L CA 1.305 56.272 54.840 0.211 0.000 0.745 316 L CB -0.659 41.485 42.059 0.141 0.000 0.894 316 L HN 0.168 nan 8.230 nan 0.000 0.432 317 L N -0.873 120.441 121.223 0.153 0.000 2.201 317 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 317 L C 2.052 179.041 176.870 0.198 0.000 1.105 317 L CA 0.875 55.773 54.840 0.097 0.000 0.775 317 L CB -0.769 41.275 42.059 -0.024 0.000 0.913 317 L HN 0.297 nan 8.230 nan 0.000 0.440 318 D N 0.343 120.852 120.400 0.182 0.000 2.178 318 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 318 D C 2.222 178.620 176.300 0.164 0.000 0.980 318 D CA 1.383 55.477 54.000 0.156 0.000 0.842 318 D CB 0.072 40.957 40.800 0.142 0.000 0.948 318 D HN 0.306 nan 8.370 nan 0.000 0.472 319 A N -0.002 122.938 122.820 0.199 0.000 1.930 319 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 319 A C 1.980 179.645 177.584 0.135 0.000 1.175 319 A CA 0.816 52.937 52.037 0.139 0.000 0.627 319 A CB -0.847 18.225 19.000 0.121 0.000 0.815 319 A HN 0.124 nan 8.150 nan 0.000 0.443 320 F N 0.079 120.063 119.950 0.057 0.000 2.171 320 F HA -0.100 4.426 4.527 -0.000 0.000 0.300 320 F C 2.268 178.101 175.800 0.056 0.000 1.090 320 F CA 1.896 59.931 58.000 0.059 0.000 1.293 320 F CB -0.196 38.839 39.000 0.058 0.000 1.013 320 F HN 0.174 nan 8.300 nan 0.000 0.486 321 K N 0.056 120.600 120.400 0.240 0.000 2.025 321 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 321 K C 2.249 178.907 176.600 0.096 0.000 1.049 321 K CA 1.672 58.044 56.287 0.142 0.000 0.933 321 K CB -0.522 32.043 32.500 0.109 0.000 0.714 321 K HN -0.001 nan 8.250 nan 0.000 0.438 322 S N -0.040 115.710 115.700 0.085 0.000 2.359 322 S HA -0.121 4.349 4.470 -0.000 0.000 0.224 322 S C 1.837 176.461 174.600 0.040 0.000 1.035 322 S CA 1.300 59.530 58.200 0.051 0.000 1.018 322 S CB -0.387 62.839 63.200 0.043 0.000 0.876 322 S HN 0.534 nan 8.310 nan 0.000 0.448 323 A N 0.310 123.156 122.820 0.043 0.000 2.206 323 A HA 0.179 4.499 4.320 -0.000 0.000 0.211 323 A C 0.613 178.280 177.584 0.137 0.000 1.158 323 A CA 0.287 52.358 52.037 0.056 0.000 0.761 323 A CB -0.322 18.667 19.000 -0.019 0.000 0.801 323 A HN 0.488 nan 8.150 nan 0.000 0.473 324 K N -1.278 119.189 120.400 0.112 0.000 3.239 324 K HA -0.141 4.178 4.320 -0.000 0.000 0.270 324 K C -1.069 175.695 176.600 0.272 0.000 1.049 324 K CA 0.551 56.922 56.287 0.140 0.000 0.769 324 K CB -1.933 30.543 32.500 -0.040 0.000 1.305 324 K HN 0.504 nan 8.250 nan 0.000 0.469 325 L N 0.729 122.068 121.223 0.193 0.000 2.365 325 L HA 0.388 4.728 4.340 -0.000 0.000 0.273 325 L C 0.133 177.158 176.870 0.257 0.000 1.000 325 L CA -1.176 53.766 54.840 0.170 0.000 0.819 325 L CB 1.627 43.704 42.059 0.029 0.000 1.284 325 L HN 0.025 nan 8.230 nan 0.000 0.418 326 D N 1.473 121.983 120.400 0.184 0.000 2.304 326 D HA 0.271 4.911 4.640 -0.000 0.000 0.247 326 D C -0.450 175.995 176.300 0.242 0.000 1.089 326 D CA -0.035 54.060 54.000 0.157 0.000 0.910 326 D CB 2.471 43.307 40.800 0.060 0.000 1.199 326 D HN 0.051 nan 8.370 nan 0.000 0.426 327 V N 1.649 121.646 119.914 0.139 0.000 2.532 327 V HA 0.468 4.588 4.120 -0.000 0.000 0.295 327 V C -0.482 175.679 176.094 0.112 0.000 1.041 327 V CA -0.052 62.285 62.300 0.063 0.000 0.926 327 V CB 1.797 33.434 31.823 -0.311 0.000 0.992 327 V HN 0.547 nan 8.190 nan 0.000 0.457 328 T N 7.425 122.101 114.554 0.204 0.000 2.812 328 T HA 0.515 4.865 4.350 -0.000 0.000 0.282 328 T C -1.109 173.743 174.700 0.254 0.000 0.990 328 T CA -0.026 62.229 62.100 0.258 0.000 0.960 328 T CB 0.954 70.030 68.868 0.346 0.000 0.948 328 T HN 0.515 nan 8.240 nan 0.000 0.438 329 F N 2.814 122.832 119.950 0.114 0.000 2.507 329 F HA 0.665 5.192 4.527 -0.000 0.000 0.327 329 F C 0.820 176.712 175.800 0.152 0.000 1.068 329 F CA -0.521 57.536 58.000 0.096 0.000 0.965 329 F CB 1.630 40.665 39.000 0.058 0.000 1.192 329 F HN 0.628 nan 8.300 nan 0.000 0.476 330 T N -1.164 113.063 114.554 -0.544 0.000 2.892 330 T HA 0.333 4.683 4.350 -0.000 0.000 0.280 330 T C 0.230 174.808 174.700 -0.204 0.000 1.004 330 T CA -0.154 61.791 62.100 -0.260 0.000 0.950 330 T CB 0.830 69.564 68.868 -0.222 0.000 1.309 330 T HN 0.941 nan 8.240 nan 0.000 0.592 331 C N 0.137 119.404 119.300 -0.056 0.000 4.497 331 C HA -0.084 4.375 4.460 -0.000 0.000 0.292 331 C C 1.521 176.528 174.990 0.028 0.000 1.366 331 C CA 0.072 59.080 59.018 -0.017 0.000 1.987 331 C CB -3.171 24.542 27.740 -0.044 0.000 1.241 331 C HN 0.846 nan 8.230 nan 0.000 0.788 332 L N 1.326 122.592 121.223 0.072 0.000 2.291 332 L HA -0.030 4.310 4.340 -0.000 0.000 0.214 332 L C 2.502 179.341 176.870 -0.053 0.000 1.120 332 L CA 2.287 57.127 54.840 -0.001 0.000 0.799 332 L CB -0.338 41.699 42.059 -0.037 0.000 0.925 332 L HN 0.676 nan 8.230 nan 0.000 0.446 333 E N -1.096 119.100 120.200 -0.007 0.000 2.479 333 E HA -0.013 4.337 4.350 -0.000 0.000 0.193 333 E C 0.438 177.008 176.600 -0.049 0.000 1.049 333 E CA 0.140 56.525 56.400 -0.027 0.000 0.870 333 E CB 0.129 29.844 29.700 0.024 0.000 0.944 333 E HN 0.226 nan 8.360 nan 0.000 0.492 334 M N 1.873 121.431 119.600 -0.070 0.000 2.342 334 M HA 0.263 4.743 4.480 -0.000 0.000 0.332 334 M C 0.250 176.497 176.300 -0.089 0.000 1.166 334 M CA -0.256 54.981 55.300 -0.105 0.000 1.086 334 M CB 1.149 33.629 32.600 -0.200 0.000 1.541 334 M HN -0.102 nan 8.290 nan 0.000 0.462 335 T N -1.609 112.899 114.554 -0.077 0.000 2.918 335 T HA 0.482 4.832 4.350 -0.000 0.000 0.286 335 T C -0.332 174.337 174.700 -0.050 0.000 1.026 335 T CA -1.037 61.032 62.100 -0.051 0.000 1.031 335 T CB 1.410 70.261 68.868 -0.028 0.000 1.046 335 T HN 0.398 nan 8.240 nan 0.000 0.479 336 D N 1.004 121.382 120.400 -0.038 0.000 2.399 336 D HA 0.356 4.996 4.640 -0.000 0.000 0.241 336 D C 0.496 176.798 176.300 0.005 0.000 1.133 336 D CA -0.128 53.857 54.000 -0.025 0.000 0.890 336 D CB 1.417 42.201 40.800 -0.026 0.000 1.201 336 D HN 0.575 nan 8.370 nan 0.000 0.432 337 K N -0.451 119.968 120.400 0.031 0.000 2.642 337 K HA 0.304 4.624 4.320 -0.000 0.000 0.214 337 K C 0.977 177.612 176.600 0.058 0.000 1.451 337 K CA 0.301 56.612 56.287 0.040 0.000 0.917 337 K CB -0.169 32.359 32.500 0.046 0.000 1.779 337 K HN 0.471 nan 8.250 nan 0.000 0.447 338 G N 1.699 110.558 108.800 0.098 0.000 2.179 338 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.257 338 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.257 338 G C -0.095 174.866 174.900 0.101 0.000 1.010 338 G CA 0.683 45.883 45.100 0.168 0.000 0.736 338 G HN 0.450 nan 8.290 nan 0.000 0.513 339 S N -1.150 114.502 115.700 -0.081 0.000 2.621 339 S HA 0.687 5.157 4.470 -0.000 0.000 0.302 339 S C -0.103 174.127 174.600 -0.618 0.000 1.093 339 S CA -0.925 57.149 58.200 -0.210 0.000 1.017 339 S CB 2.126 65.280 63.200 -0.077 0.000 1.077 339 S HN 1.142 nan 8.310 nan 0.000 0.517 340 Y N 3.248 123.096 120.300 -0.753 0.000 2.597 340 Y HA 0.307 4.857 4.550 -0.001 0.000 0.336 340 Y C -1.310 174.377 175.900 -0.356 0.000 1.216 340 Y CA -0.983 56.668 58.100 -0.747 0.000 1.463 340 Y CB 0.731 39.036 38.460 -0.259 0.000 1.303 340 Y HN 0.586 nan 8.280 nan 0.000 0.576 341 P HA 0.044 nan 4.420 nan 0.000 0.245 341 P C 0.234 177.229 177.300 -0.508 0.000 1.199 341 P CA 0.800 63.159 63.100 -1.235 0.000 0.807 341 P CB 0.563 31.496 31.700 -1.279 0.000 1.002 342 E N -0.255 119.714 120.200 -0.386 0.000 2.072 342 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 342 E C -0.045 176.648 176.600 0.155 0.000 0.982 342 E CA 0.508 56.825 56.400 -0.139 0.000 0.803 342 E CB -1.095 28.545 29.700 -0.100 0.000 0.755 342 E HN 0.200 nan 8.360 nan 0.000 0.453 343 Y N 0.348 120.699 120.300 0.085 0.000 3.234 343 Y HA -0.240 4.310 4.550 -0.000 0.000 0.207 343 Y C -0.533 175.501 175.900 0.223 0.000 1.316 343 Y CA 0.202 58.389 58.100 0.144 0.000 1.309 343 Y CB -2.320 36.217 38.460 0.129 0.000 1.408 343 Y HN -0.154 nan 8.280 nan 0.000 0.544 344 S N 2.079 117.976 115.700 0.327 0.000 2.499 344 S HA 0.489 4.959 4.470 -0.000 0.000 0.275 344 S C 0.637 175.359 174.600 0.203 0.000 1.257 344 S CA -0.595 57.845 58.200 0.399 0.000 1.050 344 S CB 0.684 64.178 63.200 0.490 0.000 0.937 344 S HN 0.293 nan 8.310 nan 0.000 0.490 345 M N 4.587 124.240 119.600 0.088 0.000 3.200 345 M HA 0.222 4.702 4.480 -0.000 0.000 0.335 345 M C -2.033 174.128 176.300 -0.232 0.000 1.446 345 M CA -2.190 53.000 55.300 -0.182 0.000 0.691 345 M CB 0.466 32.744 32.600 -0.536 0.000 1.409 345 M HN 0.313 nan 8.290 nan 0.000 0.488 346 P HA -0.204 nan 4.420 nan 0.000 0.215 346 P C 1.405 178.656 177.300 -0.082 0.000 1.157 346 P CA 1.599 64.643 63.100 -0.092 0.000 0.868 346 P CB 0.382 31.909 31.700 -0.288 0.000 0.788 347 K N -0.561 119.778 120.400 -0.103 0.000 2.057 347 K HA -0.100 4.220 4.320 -0.000 0.000 0.207 347 K C 2.145 178.667 176.600 -0.130 0.000 1.049 347 K CA 2.013 58.243 56.287 -0.094 0.000 0.931 347 K CB -0.616 31.843 32.500 -0.068 0.000 0.714 347 K HN -0.001 nan 8.250 nan 0.000 0.440 348 T N 1.742 116.200 114.554 -0.160 0.000 2.788 348 T HA -0.122 4.227 4.350 -0.000 0.000 0.268 348 T C 1.651 176.238 174.700 -0.189 0.000 1.044 348 T CA 1.053 63.054 62.100 -0.165 0.000 1.139 348 T CB -0.109 68.649 68.868 -0.184 0.000 0.867 348 T HN 0.188 nan 8.240 nan 0.000 0.454 349 L N 0.925 122.012 121.223 -0.227 0.000 1.989 349 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 349 L C 2.548 179.245 176.870 -0.289 0.000 1.071 349 L CA 1.442 56.177 54.840 -0.175 0.000 0.749 349 L CB -0.458 41.602 42.059 0.001 0.000 0.890 349 L HN 0.143 nan 8.230 nan 0.000 0.431 350 V N -0.170 119.654 119.914 -0.150 0.000 2.324 350 V HA -0.362 3.757 4.120 -0.000 0.000 0.250 350 V C 2.466 178.367 176.094 -0.323 0.000 1.060 350 V CA 2.006 64.198 62.300 -0.181 0.000 1.042 350 V CB -0.719 31.128 31.823 0.040 0.000 0.650 350 V HN 0.559 nan 8.190 nan 0.000 0.450 351 Q N 0.015 119.601 119.800 -0.355 0.000 2.084 351 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 351 Q C 2.128 177.960 176.000 -0.279 0.000 0.978 351 Q CA 2.017 57.541 55.803 -0.465 0.000 0.844 351 Q CB -0.378 28.155 28.738 -0.341 0.000 0.898 351 Q HN 0.766 nan 8.270 nan 0.000 0.426 352 N N 0.251 118.802 118.700 -0.248 0.000 2.120 352 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 352 N C 1.729 177.057 175.510 -0.303 0.000 1.024 352 N CA 0.841 53.762 53.050 -0.215 0.000 0.852 352 N CB 0.039 38.415 38.487 -0.186 0.000 1.003 352 N HN 0.136 nan 8.380 nan 0.000 0.424 353 I N 1.303 121.577 120.570 -0.494 0.000 2.252 353 I HA -0.125 4.045 4.170 -0.000 0.000 0.245 353 I C 2.499 178.382 176.117 -0.389 0.000 1.102 353 I CA 0.783 61.742 61.300 -0.570 0.000 1.385 353 I CB -1.588 35.805 38.000 -1.010 0.000 1.064 353 I HN 0.092 nan 8.210 nan 0.000 0.414 354 A N 0.616 123.230 122.820 -0.342 0.000 1.933 354 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 354 A C 2.436 179.958 177.584 -0.103 0.000 1.175 354 A CA 2.382 54.276 52.037 -0.239 0.000 0.628 354 A CB -1.065 17.868 19.000 -0.112 0.000 0.814 354 A HN 0.424 nan 8.150 nan 0.000 0.444 355 T N 0.445 114.962 114.554 -0.060 0.000 2.708 355 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 355 T C 1.831 176.511 174.700 -0.035 0.000 1.037 355 T CA 1.476 63.580 62.100 0.007 0.000 1.146 355 T CB -0.387 68.497 68.868 0.027 0.000 0.865 355 T HN 0.360 nan 8.240 nan 0.000 0.435 356 L N 0.704 121.877 121.223 -0.083 0.000 2.017 356 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 356 L C 3.047 179.874 176.870 -0.071 0.000 1.073 356 L CA 1.301 56.098 54.840 -0.071 0.000 0.745 356 L CB -0.664 41.339 42.059 -0.095 0.000 0.894 356 L HN 0.252 nan 8.230 nan 0.000 0.432 357 A N 0.139 122.887 122.820 -0.120 0.000 1.877 357 A HA -0.215 4.104 4.320 -0.000 0.000 0.216 357 A C 2.065 179.607 177.584 -0.071 0.000 1.186 357 A CA 1.928 53.895 52.037 -0.116 0.000 0.620 357 A CB -0.599 18.287 19.000 -0.190 0.000 0.822 357 A HN 0.445 nan 8.150 nan 0.000 0.443 358 N N -0.316 118.346 118.700 -0.063 0.000 2.166 358 N HA -0.169 4.570 4.740 -0.000 0.000 0.186 358 N C 1.729 177.236 175.510 -0.005 0.000 1.019 358 N CA 1.509 54.543 53.050 -0.026 0.000 0.856 358 N CB -0.401 38.085 38.487 -0.002 0.000 0.993 358 N HN 0.784 nan 8.380 nan 0.000 0.426 359 E N 1.096 121.294 120.200 -0.002 0.000 2.106 359 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 359 E C 1.031 177.638 176.600 0.011 0.000 0.984 359 E CA 0.987 57.393 56.400 0.010 0.000 0.806 359 E CB 0.160 29.867 29.700 0.012 0.000 0.750 359 E HN 0.279 nan 8.360 nan 0.000 0.458 360 K N -0.882 119.521 120.400 0.005 0.000 2.426 360 K HA 0.099 4.419 4.320 -0.000 0.000 0.193 360 K C 0.756 177.366 176.600 0.017 0.000 1.028 360 K CA 0.460 56.757 56.287 0.016 0.000 1.047 360 K CB 0.602 33.113 32.500 0.019 0.000 0.821 360 K HN 0.260 nan 8.250 nan 0.000 0.513 361 G N 2.245 111.049 108.800 0.007 0.000 2.225 361 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.264 361 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.264 361 G C -0.162 174.746 174.900 0.012 0.000 1.060 361 G CA -0.209 44.897 45.100 0.010 0.000 0.833 361 G HN 0.225 nan 8.290 nan 0.000 0.498 362 I N 0.366 120.936 120.570 -0.001 0.000 2.354 362 I HA 0.318 4.488 4.170 -0.000 0.000 0.292 362 I C 0.954 177.060 176.117 -0.018 0.000 0.989 362 I CA -1.226 60.077 61.300 0.006 0.000 1.188 362 I CB 1.836 39.834 38.000 -0.004 0.000 1.342 362 I HN -0.090 nan 8.210 nan 0.000 0.457 363 V N 7.005 126.923 119.914 0.006 0.000 2.540 363 V HA -0.023 4.097 4.120 -0.000 0.000 0.297 363 V C 0.046 176.123 176.094 -0.029 0.000 1.024 363 V CA 0.076 62.375 62.300 -0.001 0.000 1.105 363 V CB 0.821 32.659 31.823 0.025 0.000 0.938 363 V HN 0.383 nan 8.190 nan 0.000 0.482 364 L N 6.454 127.625 121.223 -0.087 0.000 2.307 364 L HA 0.616 4.956 4.340 -0.000 0.000 0.284 364 L C -0.291 176.526 176.870 -0.088 0.000 1.023 364 L CA 0.306 55.031 54.840 -0.191 0.000 0.810 364 L CB 1.586 43.365 42.059 -0.465 0.000 1.231 364 L HN 0.731 nan 8.230 nan 0.000 0.423 365 N N 2.094 120.830 118.700 0.061 0.000 2.509 365 N HA 0.919 5.659 4.740 -0.000 0.000 0.280 365 N C -1.007 174.810 175.510 0.512 0.000 1.306 365 N CA -0.515 52.729 53.050 0.323 0.000 0.782 365 N CB 2.100 40.772 38.487 0.309 0.000 1.493 365 N HN 0.788 nan 8.380 nan 0.000 0.498 366 G N -0.898 108.263 108.800 0.602 0.000 2.684 366 G HA2 0.654 4.614 3.960 -0.000 0.000 0.290 366 G HA3 0.654 4.614 3.960 -0.000 0.000 0.290 366 G C -1.915 173.151 174.900 0.277 0.000 1.425 366 G CA -0.653 44.771 45.100 0.541 0.000 0.822 366 G HN 0.658 nan 8.290 nan 0.000 0.482 367 E N -0.472 119.840 120.200 0.187 0.000 2.412 367 E HA 0.354 4.703 4.350 -0.000 0.000 0.279 367 E C -1.008 175.691 176.600 0.164 0.000 0.984 367 E CA -1.169 55.197 56.400 -0.057 0.000 0.788 367 E CB 1.619 31.248 29.700 -0.119 0.000 1.277 367 E HN 0.546 nan 8.360 nan 0.000 0.455 368 N N 0.647 119.477 118.700 0.216 0.000 2.525 368 N HA 0.147 4.887 4.740 -0.000 0.000 0.271 368 N C 0.373 175.941 175.510 0.097 0.000 1.194 368 N CA 0.220 53.410 53.050 0.234 0.000 0.964 368 N CB 1.619 40.296 38.487 0.317 0.000 1.126 368 N HN 0.615 nan 8.380 nan 0.000 0.452 369 A N 1.988 124.847 122.820 0.065 0.000 1.897 369 A HA 0.148 4.468 4.320 -0.000 0.000 0.215 369 A C 0.961 178.568 177.584 0.039 0.000 1.181 369 A CA 0.722 52.783 52.037 0.039 0.000 0.620 369 A CB -0.178 18.841 19.000 0.032 0.000 0.821 369 A HN 0.669 nan 8.150 nan 0.000 0.443 370 L N -1.747 119.499 121.223 0.038 0.000 2.327 370 L HA 0.383 4.723 4.340 -0.000 0.000 0.258 370 L C -0.175 176.724 176.870 0.049 0.000 1.024 370 L CA -0.961 53.898 54.840 0.030 0.000 0.825 370 L CB 2.010 44.069 42.059 0.001 0.000 1.386 370 L HN -0.062 nan 8.230 nan 0.000 0.417 371 S N 1.199 116.927 115.700 0.046 0.000 2.558 371 S HA 0.227 4.697 4.470 -0.000 0.000 0.293 371 S C -0.120 174.502 174.600 0.037 0.000 1.292 371 S CA -0.057 58.178 58.200 0.058 0.000 1.063 371 S CB -0.092 63.138 63.200 0.051 0.000 0.831 371 S HN 0.261 nan 8.310 nan 0.000 0.499 372 I N 2.777 123.374 120.570 0.044 0.000 2.297 372 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 372 I C 1.370 177.427 176.117 -0.100 0.000 1.033 372 I CA -0.266 61.003 61.300 -0.051 0.000 1.253 372 I CB 1.037 38.983 38.000 -0.091 0.000 1.396 372 I HN 0.857 nan 8.210 nan 0.000 0.476 373 G N 5.164 113.908 108.800 -0.095 0.000 2.985 373 G HA2 0.015 3.975 3.960 -0.000 0.000 0.209 373 G HA3 0.015 3.975 3.960 -0.000 0.000 0.209 373 G C 0.190 175.026 174.900 -0.107 0.000 1.165 373 G CA 0.050 45.109 45.100 -0.069 0.000 0.776 373 G HN 0.768 nan 8.290 nan 0.000 0.541 374 N N -2.189 116.386 118.700 -0.209 0.000 2.859 374 N HA 0.143 4.883 4.740 -0.000 0.000 0.250 374 N C 0.716 176.024 175.510 -0.337 0.000 1.341 374 N CA -0.280 52.652 53.050 -0.198 0.000 0.881 374 N CB 0.544 38.975 38.487 -0.094 0.000 1.516 374 N HN 0.039 nan 8.380 nan 0.000 0.503 375 E N -0.422 119.667 120.200 -0.186 0.000 2.219 375 E HA -0.337 4.013 4.350 -0.000 0.000 0.198 375 E C 0.892 177.472 176.600 -0.033 0.000 0.998 375 E CA 1.438 57.808 56.400 -0.051 0.000 0.818 375 E CB -0.092 29.675 29.700 0.111 0.000 0.741 375 E HN 0.659 nan 8.360 nan 0.000 0.477 376 E N 1.188 121.353 120.200 -0.059 0.000 2.118 376 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 376 E C 1.683 178.257 176.600 -0.045 0.000 0.992 376 E CA 1.616 57.996 56.400 -0.033 0.000 0.804 376 E CB -0.014 29.666 29.700 -0.032 0.000 0.741 376 E HN 0.417 nan 8.360 nan 0.000 0.458 377 E N -1.217 118.921 120.200 -0.103 0.000 2.106 377 E HA -0.141 4.208 4.350 -0.000 0.000 0.192 377 E C 1.684 178.280 176.600 -0.007 0.000 0.984 377 E CA 0.819 57.170 56.400 -0.082 0.000 0.806 377 E CB -0.246 29.382 29.700 -0.120 0.000 0.750 377 E HN 0.329 nan 8.360 nan 0.000 0.458 378 Y N 1.229 121.507 120.300 -0.036 0.000 2.165 378 Y HA -0.184 4.366 4.550 -0.000 0.000 0.286 378 Y C 1.834 177.642 175.900 -0.153 0.000 1.155 378 Y CA 1.007 59.055 58.100 -0.088 0.000 1.164 378 Y CB -0.416 38.017 38.460 -0.046 0.000 0.978 378 Y HN -0.004 nan 8.280 nan 0.000 0.513 379 K N -0.260 120.180 120.400 0.066 0.000 2.147 379 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 379 K C 2.156 178.725 176.600 -0.052 0.000 1.049 379 K CA 1.129 57.413 56.287 -0.006 0.000 0.936 379 K CB -0.136 32.371 32.500 0.012 0.000 0.722 379 K HN 0.292 nan 8.250 nan 0.000 0.446 380 R N 0.546 121.014 120.500 -0.053 0.000 2.075 380 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 380 R C 2.351 178.557 176.300 -0.157 0.000 1.126 380 R CA 1.111 57.166 56.100 -0.075 0.000 0.963 380 R CB -0.606 29.661 30.300 -0.055 0.000 0.858 380 R HN 0.011 nan 8.270 nan 0.000 0.435 381 V N 1.603 121.391 119.914 -0.211 0.000 2.343 381 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 381 V C 2.610 178.372 176.094 -0.554 0.000 1.051 381 V CA 1.977 64.030 62.300 -0.410 0.000 1.036 381 V CB -0.855 30.623 31.823 -0.575 0.000 0.654 381 V HN 0.376 nan 8.190 nan 0.000 0.451 382 A N -0.266 122.277 122.820 -0.461 0.000 1.908 382 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 382 A C 2.313 179.660 177.584 -0.395 0.000 1.181 382 A CA 2.223 53.962 52.037 -0.495 0.000 0.627 382 A CB -0.583 18.312 19.000 -0.174 0.000 0.818 382 A HN 0.662 nan 8.150 nan 0.000 0.445 383 E N -1.075 118.985 120.200 -0.232 0.000 2.058 383 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 383 E C 1.985 178.460 176.600 -0.208 0.000 0.997 383 E CA 1.609 57.906 56.400 -0.171 0.000 0.801 383 E CB -0.171 29.502 29.700 -0.045 0.000 0.746 383 E HN 0.477 nan 8.360 nan 0.000 0.450 384 M N 0.466 119.934 119.600 -0.220 0.000 2.123 384 M HA -0.035 4.444 4.480 -0.000 0.000 0.263 384 M C 2.476 178.576 176.300 -0.333 0.000 1.069 384 M CA 1.460 56.667 55.300 -0.156 0.000 1.133 384 M CB -1.322 31.086 32.600 -0.319 0.000 1.356 384 M HN 0.232 nan 8.290 nan 0.000 0.415 385 A N -0.056 122.336 122.820 -0.715 0.000 1.865 385 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 385 A C 1.971 179.286 177.584 -0.448 0.000 1.191 385 A CA 1.552 53.102 52.037 -0.811 0.000 0.623 385 A CB -1.169 17.163 19.000 -1.113 0.000 0.826 385 A HN 0.478 nan 8.150 nan 0.000 0.444 386 F N -0.604 119.192 119.950 -0.257 0.000 2.811 386 F HA 0.077 4.604 4.527 -0.000 0.000 0.301 386 F C 1.877 177.523 175.800 -0.257 0.000 1.151 386 F CA 0.115 57.956 58.000 -0.264 0.000 1.412 386 F CB 0.120 38.913 39.000 -0.346 0.000 1.113 386 F HN 0.220 nan 8.300 nan 0.000 0.579 387 N N -1.414 117.173 118.700 -0.188 0.000 2.227 387 N HA 0.034 4.774 4.740 -0.000 0.000 0.196 387 N C 0.123 175.322 175.510 -0.519 0.000 1.142 387 N CA 0.445 53.208 53.050 -0.479 0.000 0.887 387 N CB 0.367 38.189 38.487 -1.109 0.000 1.022 387 N HN 0.299 nan 8.380 nan 0.000 0.500 388 Y N 0.522 120.857 120.300 0.058 0.000 2.696 388 Y HA 0.241 4.791 4.550 -0.000 0.000 0.260 388 Y C 0.331 176.349 175.900 0.198 0.000 1.165 388 Y CA -0.516 57.691 58.100 0.179 0.000 1.189 388 Y CB 0.117 38.764 38.460 0.312 0.000 1.180 388 Y HN -0.122 nan 8.280 nan 0.000 0.538 389 N N 0.207 119.055 118.700 0.246 0.000 2.747 389 N HA -0.235 4.504 4.740 -0.000 0.000 0.249 389 N C -1.005 174.631 175.510 0.210 0.000 1.107 389 N CA 0.266 53.424 53.050 0.181 0.000 0.707 389 N CB -1.634 36.900 38.487 0.080 0.000 1.054 389 N HN 0.165 nan 8.380 nan 0.000 0.555 390 F N -0.025 119.990 119.950 0.109 0.000 2.529 390 F HA 0.327 4.853 4.527 -0.000 0.000 0.365 390 F C 1.803 177.723 175.800 0.200 0.000 1.102 390 F CA 0.303 58.389 58.000 0.142 0.000 1.271 390 F CB 0.508 39.594 39.000 0.143 0.000 1.120 390 F HN 0.194 nan 8.300 nan 0.000 0.579 391 A N 2.557 125.542 122.820 0.275 0.000 2.178 391 A HA 0.507 4.827 4.320 -0.000 0.000 0.211 391 A C 0.995 178.668 177.584 0.149 0.000 1.157 391 A CA 0.908 53.068 52.037 0.205 0.000 0.780 391 A CB -0.569 18.498 19.000 0.111 0.000 0.828 391 A HN 0.880 nan 8.150 nan 0.000 0.476 392 G N -1.931 107.002 108.800 0.221 0.000 2.632 392 G HA2 0.468 4.428 3.960 -0.000 0.000 0.292 392 G HA3 0.468 4.428 3.960 -0.000 0.000 0.292 392 G C -1.670 173.373 174.900 0.238 0.000 1.465 392 G CA -0.479 44.620 45.100 -0.002 0.000 0.824 392 G HN 0.494 nan 8.290 nan 0.000 0.509 393 F N 1.051 120.948 119.950 -0.089 0.000 2.574 393 F HA 0.731 5.258 4.527 -0.001 0.000 0.313 393 F C -0.511 175.387 175.800 0.163 0.000 1.130 393 F CA -0.526 57.539 58.000 0.109 0.000 0.936 393 F CB 2.412 41.480 39.000 0.112 0.000 1.219 393 F HN 0.473 nan 8.300 nan 0.000 0.445 394 T N 7.114 121.243 114.554 -0.709 0.000 2.797 394 T HA 0.481 4.830 4.350 -0.000 0.000 0.279 394 T C -1.146 173.067 174.700 -0.811 0.000 0.991 394 T CA -0.429 61.428 62.100 -0.406 0.000 0.979 394 T CB 1.335 70.178 68.868 -0.040 0.000 0.943 394 T HN 0.597 nan 8.240 nan 0.000 0.444 395 L N 4.612 125.654 121.223 -0.301 0.000 2.264 395 L HA 0.564 4.904 4.340 -0.000 0.000 0.289 395 L C -0.678 176.176 176.870 -0.026 0.000 1.044 395 L CA -0.565 54.240 54.840 -0.058 0.000 0.807 395 L CB 0.568 42.752 42.059 0.210 0.000 1.192 395 L HN 0.642 nan 8.230 nan 0.000 0.425 396 L N 6.790 128.025 121.223 0.020 0.000 2.257 396 L HA 0.597 4.937 4.340 -0.000 0.000 0.290 396 L C -0.463 176.454 176.870 0.077 0.000 1.044 396 L CA -0.240 54.620 54.840 0.033 0.000 0.810 396 L CB 0.310 42.387 42.059 0.029 0.000 1.193 396 L HN 0.880 nan 8.230 nan 0.000 0.425 397 R N 2.741 123.281 120.500 0.067 0.000 2.781 397 R HA 0.131 4.470 4.340 -0.000 0.000 0.269 397 R C 0.159 176.497 176.300 0.063 0.000 1.025 397 R CA -0.581 55.554 56.100 0.058 0.000 0.914 397 R CB 0.994 31.343 30.300 0.080 0.000 1.236 397 R HN 0.552 nan 8.270 nan 0.000 0.465 398 Y N 1.709 121.958 120.300 -0.085 0.000 1.876 398 Y HA -0.492 4.058 4.550 -0.001 0.000 0.218 398 Y C 2.322 178.125 175.900 -0.163 0.000 1.157 398 Y CA 3.118 61.142 58.100 -0.126 0.000 1.004 398 Y CB -0.065 38.370 38.460 -0.042 0.000 0.825 398 Y HN 0.653 nan 8.280 nan 0.000 0.532 399 Q N -0.333 119.576 119.800 0.182 0.000 2.376 399 Q HA -0.215 4.125 4.340 -0.000 0.000 0.211 399 Q C 1.440 177.451 176.000 0.019 0.000 0.986 399 Q CA 1.822 57.661 55.803 0.060 0.000 0.886 399 Q CB -0.714 28.294 28.738 0.449 0.000 0.927 399 Q HN 0.610 nan 8.270 nan 0.000 0.457 400 D N 1.177 121.594 120.400 0.028 0.000 2.144 400 D HA -0.095 4.544 4.640 -0.000 0.000 0.200 400 D C 2.106 178.427 176.300 0.035 0.000 0.978 400 D CA 1.950 55.986 54.000 0.060 0.000 0.833 400 D CB 0.179 41.026 40.800 0.079 0.000 0.961 400 D HN 0.405 nan 8.370 nan 0.000 0.470 401 V N -2.518 117.362 119.914 -0.057 0.000 3.379 401 V HA 0.136 4.255 4.120 -0.000 0.000 0.249 401 V C 2.036 178.060 176.094 -0.116 0.000 1.184 401 V CA 0.110 62.393 62.300 -0.030 0.000 1.106 401 V CB -0.027 31.781 31.823 -0.026 0.000 0.826 401 V HN -0.109 nan 8.190 nan 0.000 0.465 402 M N 1.071 120.434 119.600 -0.395 0.000 2.213 402 M HA 0.071 4.551 4.480 -0.000 0.000 0.263 402 M C 1.333 177.390 176.300 -0.405 0.000 1.062 402 M CA 1.637 56.594 55.300 -0.571 0.000 1.105 402 M CB -0.791 31.065 32.600 -1.241 0.000 1.385 402 M HN 0.575 nan 8.290 nan 0.000 0.417 403 Y N -1.549 118.780 120.300 0.048 0.000 2.751 403 Y HA 0.380 4.929 4.550 -0.000 0.000 0.289 403 Y C 0.216 176.163 175.900 0.078 0.000 1.110 403 Y CA -0.867 57.271 58.100 0.064 0.000 1.251 403 Y CB 0.095 38.591 38.460 0.059 0.000 1.178 403 Y HN 0.098 nan 8.280 nan 0.000 0.540 404 N N 0.697 119.501 118.700 0.174 0.000 2.969 404 N HA 0.053 4.793 4.740 -0.000 0.000 0.230 404 N C -0.701 174.920 175.510 0.185 0.000 1.397 404 N CA -0.143 53.005 53.050 0.163 0.000 0.762 404 N CB -0.005 38.567 38.487 0.142 0.000 1.495 404 N HN 0.131 nan 8.380 nan 0.000 0.583 405 N N -0.079 118.746 118.700 0.209 0.000 2.289 405 N HA -0.095 4.645 4.740 -0.000 0.000 0.184 405 N C 1.277 176.919 175.510 0.221 0.000 1.016 405 N CA 1.403 54.616 53.050 0.272 0.000 0.872 405 N CB 0.238 38.888 38.487 0.272 0.000 0.973 405 N HN 0.410 nan 8.380 nan 0.000 0.433 406 S N 0.624 116.427 115.700 0.172 0.000 2.343 406 S HA -0.072 4.398 4.470 -0.000 0.000 0.219 406 S C 1.728 176.436 174.600 0.180 0.000 1.033 406 S CA 0.639 58.929 58.200 0.150 0.000 1.014 406 S CB -0.469 62.802 63.200 0.118 0.000 0.915 406 S HN 0.150 nan 8.310 nan 0.000 0.435 407 L N 1.059 122.402 121.223 0.200 0.000 2.131 407 L HA 0.069 4.409 4.340 -0.000 0.000 0.210 407 L C 2.269 179.348 176.870 0.348 0.000 1.092 407 L CA 1.478 56.496 54.840 0.296 0.000 0.759 407 L CB -0.819 41.391 42.059 0.251 0.000 0.903 407 L HN 0.291 nan 8.230 nan 0.000 0.435 408 M N -1.079 118.662 119.600 0.236 0.000 2.229 408 M HA -0.003 4.476 4.480 -0.000 0.000 0.264 408 M C 2.009 178.381 176.300 0.120 0.000 1.063 408 M CA 1.816 57.215 55.300 0.164 0.000 1.114 408 M CB -0.968 31.708 32.600 0.128 0.000 1.387 408 M HN 0.155 nan 8.290 nan 0.000 0.420 409 G N 0.117 108.999 108.800 0.138 0.000 2.394 409 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.215 409 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.215 409 G C 1.527 176.469 174.900 0.068 0.000 1.165 409 G CA 0.562 45.715 45.100 0.088 0.000 0.784 409 G HN 0.376 nan 8.290 nan 0.000 0.535 410 K N 0.259 120.741 120.400 0.137 0.000 2.097 410 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 410 K C 2.082 178.658 176.600 -0.039 0.000 1.049 410 K CA 0.720 57.089 56.287 0.137 0.000 0.933 410 K CB -0.759 31.943 32.500 0.335 0.000 0.717 410 K HN 0.423 nan 8.250 nan 0.000 0.442 411 F N 2.692 122.485 119.950 -0.261 0.000 2.075 411 F HA -0.206 4.320 4.527 -0.000 0.000 0.297 411 F C 2.585 178.154 175.800 -0.384 0.000 1.113 411 F CA 1.808 59.445 58.000 -0.604 0.000 1.218 411 F CB -0.142 38.533 39.000 -0.541 0.000 0.984 411 F HN -0.040 nan 8.300 nan 0.000 0.472 412 K N 0.206 120.539 120.400 -0.111 0.000 2.044 412 K HA -0.309 4.011 4.320 -0.000 0.000 0.210 412 K C 1.950 178.396 176.600 -0.256 0.000 1.049 412 K CA 2.275 58.453 56.287 -0.181 0.000 0.927 412 K CB -0.637 31.791 32.500 -0.120 0.000 0.713 412 K HN 0.415 nan 8.250 nan 0.000 0.443 413 D N -0.012 120.271 120.400 -0.195 0.000 2.097 413 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 413 D C 1.945 178.110 176.300 -0.225 0.000 0.989 413 D CA 1.447 55.346 54.000 -0.167 0.000 0.827 413 D CB 0.063 40.808 40.800 -0.091 0.000 0.966 413 D HN 0.324 nan 8.370 nan 0.000 0.456 414 L N -0.951 120.095 121.223 -0.295 0.000 2.168 414 L HA 0.125 4.465 4.340 -0.000 0.000 0.203 414 L C 2.099 178.755 176.870 -0.356 0.000 1.078 414 L CA 0.478 55.145 54.840 -0.288 0.000 0.780 414 L CB 0.042 41.963 42.059 -0.231 0.000 0.939 414 L HN 0.089 nan 8.230 nan 0.000 0.451 415 L N -1.589 119.210 121.223 -0.707 0.000 2.685 415 L HA 0.264 4.604 4.340 -0.000 0.000 0.235 415 L C 1.649 178.165 176.870 -0.590 0.000 1.070 415 L CA 0.082 54.493 54.840 -0.715 0.000 0.888 415 L CB 0.043 41.415 42.059 -1.145 0.000 1.203 415 L HN 0.133 nan 8.230 nan 0.000 0.499 416 G N 1.694 110.015 108.800 -0.798 0.000 3.392 416 G HA2 0.306 4.266 3.960 -0.000 0.000 0.247 416 G HA3 0.306 4.266 3.960 -0.000 0.000 0.247 416 G C 0.211 175.009 174.900 -0.171 0.000 1.161 416 G CA 0.055 44.948 45.100 -0.345 0.000 1.739 416 G HN 0.053 nan 8.290 nan 0.000 0.619 417 V N -2.533 117.331 119.914 -0.084 0.000 2.713 417 V HA 0.777 4.897 4.120 -0.000 0.000 0.307 417 V C -0.025 176.069 176.094 0.000 0.000 1.052 417 V CA -0.798 61.440 62.300 -0.103 0.000 0.967 417 V CB 1.773 33.438 31.823 -0.263 0.000 1.019 417 V HN 0.004 nan 8.190 nan 0.000 0.459 418 T N 5.317 119.833 114.554 -0.064 0.000 2.756 418 T HA 0.461 4.811 4.350 -0.000 0.000 0.290 418 T C -2.635 172.013 174.700 -0.088 0.000 0.985 418 T CA -0.902 61.175 62.100 -0.039 0.000 0.955 418 T CB 1.236 70.075 68.868 -0.049 0.000 0.930 418 T HN 0.803 nan 8.240 nan 0.000 0.451 419 P HA 0.261 nan 4.420 nan 0.000 0.276 419 P C -0.733 176.509 177.300 -0.098 0.000 1.243 419 P CA -0.274 62.763 63.100 -0.106 0.000 0.768 419 P CB 1.106 32.779 31.700 -0.045 0.000 0.856 420 V N 5.421 125.255 119.914 -0.134 0.000 2.656 420 V HA 0.468 4.588 4.120 -0.000 0.000 0.307 420 V C -0.254 175.767 176.094 -0.121 0.000 1.051 420 V CA -1.300 60.926 62.300 -0.123 0.000 0.893 420 V CB 2.035 33.764 31.823 -0.155 0.000 0.999 420 V HN 0.548 nan 8.190 nan 0.000 0.426 421 M N 6.058 125.608 119.600 -0.082 0.000 2.235 421 M HA 0.537 5.017 4.480 -0.000 0.000 0.351 421 M C -0.704 175.567 176.300 -0.048 0.000 1.178 421 M CA 0.429 55.695 55.300 -0.058 0.000 1.143 421 M CB 0.753 33.334 32.600 -0.030 0.000 1.530 421 M HN 0.705 nan 8.290 nan 0.000 0.461 422 Q N 2.442 122.235 119.800 -0.011 0.000 2.456 422 Q HA 0.463 4.803 4.340 -0.000 0.000 0.284 422 Q C -1.394 174.683 176.000 0.128 0.000 1.061 422 Q CA -0.693 55.154 55.803 0.074 0.000 0.799 422 Q CB 2.476 31.263 28.738 0.081 0.000 1.445 422 Q HN 0.688 nan 8.270 nan 0.000 0.411 423 T N 1.659 116.330 114.554 0.194 0.000 2.779 423 T HA 0.518 4.868 4.350 -0.000 0.000 0.280 423 T C -0.019 174.779 174.700 0.162 0.000 0.987 423 T CA -0.463 61.722 62.100 0.143 0.000 0.966 423 T CB 0.477 69.411 68.868 0.110 0.000 0.933 423 T HN 0.241 nan 8.240 nan 0.000 0.442 424 I N 4.173 124.806 120.570 0.106 0.000 2.321 424 I HA 0.391 4.561 4.170 -0.000 0.000 0.291 424 I C -0.190 175.996 176.117 0.115 0.000 0.998 424 I CA -0.792 60.557 61.300 0.082 0.000 1.227 424 I CB 1.286 39.283 38.000 -0.005 0.000 1.368 424 I HN 0.312 nan 8.210 nan 0.000 0.466 425 V N 7.419 127.414 119.914 0.135 0.000 2.378 425 V HA 0.432 4.552 4.120 -0.000 0.000 0.288 425 V C -0.037 176.162 176.094 0.174 0.000 1.016 425 V CA -0.696 61.687 62.300 0.138 0.000 0.840 425 V CB 2.299 34.178 31.823 0.093 0.000 0.994 425 V HN 0.415 nan 8.190 nan 0.000 0.431 426 V N 5.892 125.934 119.914 0.213 0.000 2.378 426 V HA 0.495 4.615 4.120 -0.000 0.000 0.288 426 V C -0.015 176.234 176.094 0.258 0.000 1.016 426 V CA -0.795 61.651 62.300 0.244 0.000 0.840 426 V CB 1.615 33.605 31.823 0.278 0.000 0.994 426 V HN 0.857 nan 8.190 nan 0.000 0.431 427 K N 3.393 123.922 120.400 0.216 0.000 2.221 427 K HA 0.590 4.910 4.320 -0.000 0.000 0.243 427 K C 0.058 176.784 176.600 0.209 0.000 0.968 427 K CA -0.914 55.489 56.287 0.194 0.000 0.846 427 K CB 0.976 33.553 32.500 0.128 0.000 1.141 427 K HN 0.542 nan 8.250 nan 0.000 0.434 428 N N -0.639 118.161 118.700 0.167 0.000 2.829 428 N HA -0.155 4.585 4.740 -0.000 0.000 0.250 428 N C -0.630 174.925 175.510 0.074 0.000 1.090 428 N CA 0.652 53.783 53.050 0.135 0.000 0.781 428 N CB -1.557 37.030 38.487 0.166 0.000 1.124 428 N HN 0.405 nan 8.380 nan 0.000 0.559 429 V N 2.417 122.327 119.914 -0.006 0.000 2.405 429 V HA 0.290 4.410 4.120 -0.000 0.000 0.264 429 V C -1.564 174.208 176.094 -0.535 0.000 1.048 429 V CA -1.310 60.701 62.300 -0.482 0.000 0.966 429 V CB 0.755 32.315 31.823 -0.439 0.000 1.015 429 V HN 0.024 nan 8.190 nan 0.000 0.477 430 P HA 0.143 nan 4.420 nan 0.000 0.249 430 P C 0.145 177.202 177.300 -0.405 0.000 1.737 430 P CA 0.012 62.859 63.100 -0.423 0.000 1.128 430 P CB -0.484 31.007 31.700 -0.350 0.000 1.942 431 T N 0.184 114.547 114.554 -0.319 0.000 2.862 431 T HA 0.628 4.978 4.350 -0.000 0.000 0.276 431 T C 0.368 174.979 174.700 -0.148 0.000 0.974 431 T CA -0.330 61.614 62.100 -0.260 0.000 0.966 431 T CB 1.169 69.908 68.868 -0.215 0.000 1.072 431 T HN 0.196 nan 8.240 nan 0.000 0.538 432 T N -0.407 114.080 114.554 -0.112 0.000 2.618 432 T HA 0.526 4.876 4.350 -0.000 0.000 0.286 432 T C -0.009 174.664 174.700 -0.044 0.000 1.027 432 T CA -0.969 61.088 62.100 -0.072 0.000 1.063 432 T CB 0.425 69.255 68.868 -0.063 0.000 1.440 432 T HN 0.684 nan 8.240 nan 0.000 0.505 433 I N 1.611 122.163 120.570 -0.030 0.000 2.692 433 I HA 0.359 4.528 4.170 -0.000 0.000 0.284 433 I C 1.669 177.784 176.117 -0.003 0.000 1.159 433 I CA 0.829 62.123 61.300 -0.011 0.000 1.423 433 I CB -0.090 37.906 38.000 -0.008 0.000 1.380 433 I HN 1.024 nan 8.210 nan 0.000 0.580 434 G N 3.425 112.234 108.800 0.016 0.000 2.284 434 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.261 434 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.261 434 G C 0.067 174.977 174.900 0.017 0.000 0.997 434 G CA -0.065 45.048 45.100 0.022 0.000 0.621 434 G HN 0.635 nan 8.290 nan 0.000 0.534 435 D N 1.837 122.231 120.400 -0.011 0.000 2.424 435 D HA 0.493 5.133 4.640 -0.000 0.000 0.244 435 D C 0.810 177.058 176.300 -0.087 0.000 1.134 435 D CA 1.292 55.251 54.000 -0.070 0.000 0.881 435 D CB 1.089 41.802 40.800 -0.144 0.000 1.191 435 D HN 0.488 nan 8.370 nan 0.000 0.445 436 T N -1.427 113.045 114.554 -0.136 0.000 2.824 436 T HA 0.540 4.890 4.350 -0.000 0.000 0.282 436 T C -0.158 174.275 174.700 -0.445 0.000 0.993 436 T CA -0.953 61.018 62.100 -0.214 0.000 0.967 436 T CB 1.210 70.100 68.868 0.037 0.000 0.960 436 T HN -0.006 nan 8.240 nan 0.000 0.441 437 V N 3.710 123.056 119.914 -0.947 0.000 2.481 437 V HA 0.569 4.689 4.120 -0.000 0.000 0.286 437 V C -0.975 174.662 176.094 -0.761 0.000 1.042 437 V CA -0.542 61.233 62.300 -0.874 0.000 0.928 437 V CB 0.364 31.422 31.823 -1.276 0.000 0.986 437 V HN 0.877 nan 8.190 nan 0.000 0.462 438 Y N 3.874 123.698 120.300 -0.793 0.000 2.665 438 Y HA 0.783 5.333 4.550 -0.000 0.000 0.336 438 Y C 0.039 175.505 175.900 -0.724 0.000 1.085 438 Y CA -1.239 56.398 58.100 -0.772 0.000 1.096 438 Y CB 1.869 39.743 38.460 -0.978 0.000 1.301 438 Y HN 0.616 nan 8.280 nan 0.000 0.493 439 I N -1.345 119.121 120.570 -0.173 0.000 2.769 439 I HA 0.895 5.064 4.170 -0.000 0.000 0.298 439 I C -0.899 175.371 176.117 0.255 0.000 1.128 439 I CA -0.616 60.729 61.300 0.075 0.000 1.031 439 I CB 2.535 40.580 38.000 0.074 0.000 1.235 439 I HN 0.540 nan 8.210 nan 0.000 0.423 440 T N 2.298 117.100 114.554 0.414 0.000 2.864 440 T HA 0.893 5.243 4.350 -0.000 0.000 0.299 440 T C -0.625 174.072 174.700 -0.005 0.000 1.166 440 T CA -0.143 62.130 62.100 0.287 0.000 1.007 440 T CB 1.924 71.085 68.868 0.489 0.000 1.219 440 T HN 1.264 nan 8.240 nan 0.000 0.506 441 G N 1.241 109.754 108.800 -0.479 0.000 2.663 441 G HA2 0.367 4.327 3.960 -0.000 0.000 0.299 441 G HA3 0.367 4.327 3.960 -0.000 0.000 0.299 441 G C 0.453 174.449 174.900 -1.508 0.000 1.372 441 G CA -0.032 44.393 45.100 -1.125 0.000 0.781 441 G HN 0.687 nan 8.290 nan 0.000 0.491 442 N N -0.405 117.596 118.700 -1.165 0.000 2.244 442 N HA -0.062 4.678 4.740 -0.000 0.000 0.183 442 N C 0.795 176.129 175.510 -0.294 0.000 1.016 442 N CA 0.710 53.404 53.050 -0.594 0.000 0.866 442 N CB -0.041 38.443 38.487 -0.005 0.000 0.980 442 N HN 0.452 nan 8.380 nan 0.000 0.430 443 R N -0.433 119.915 120.500 -0.255 0.000 2.528 443 R HA 0.455 4.795 4.340 -0.000 0.000 0.271 443 R C 1.250 177.449 176.300 -0.169 0.000 1.056 443 R CA 0.109 56.103 56.100 -0.177 0.000 1.117 443 R CB 0.647 30.837 30.300 -0.183 0.000 1.085 443 R HN 0.181 nan 8.270 nan 0.000 0.530 444 A N 1.889 124.643 122.820 -0.110 0.000 1.940 444 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 444 A C 1.675 179.198 177.584 -0.101 0.000 1.176 444 A CA 1.679 53.679 52.037 -0.061 0.000 0.631 444 A CB -0.350 18.673 19.000 0.038 0.000 0.814 444 A HN 0.814 nan 8.150 nan 0.000 0.446 445 E N -0.375 119.697 120.200 -0.213 0.000 2.265 445 E HA -0.052 4.298 4.350 -0.000 0.000 0.196 445 E C 1.360 177.828 176.600 -0.220 0.000 0.996 445 E CA 0.778 56.990 56.400 -0.314 0.000 0.832 445 E CB -0.174 29.209 29.700 -0.530 0.000 0.756 445 E HN 0.624 nan 8.360 nan 0.000 0.491 446 L N -1.153 119.949 121.223 -0.202 0.000 2.667 446 L HA 0.275 4.615 4.340 -0.000 0.000 0.232 446 L C 1.072 177.879 176.870 -0.106 0.000 1.138 446 L CA 0.218 54.954 54.840 -0.174 0.000 0.921 446 L CB 0.379 42.298 42.059 -0.233 0.000 1.180 446 L HN 0.342 nan 8.230 nan 0.000 0.487 447 G N -1.006 107.751 108.800 -0.072 0.000 2.175 447 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.244 447 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.244 447 G C 0.559 175.525 174.900 0.110 0.000 0.982 447 G CA 0.101 45.242 45.100 0.069 0.000 0.641 447 G HN 0.211 nan 8.290 nan 0.000 0.527 448 S N -1.675 113.995 115.700 -0.051 0.000 3.628 448 S HA -0.282 4.188 4.470 -0.000 0.000 0.373 448 S C 1.147 175.810 174.600 0.104 0.000 0.968 448 S CA 1.707 59.883 58.200 -0.041 0.000 1.215 448 S CB -1.986 61.264 63.200 0.084 0.000 0.912 448 S HN 1.793 nan 8.310 nan 0.000 0.495 449 W N -2.038 119.339 121.300 0.128 0.000 2.612 449 W HA -0.288 4.371 4.660 -0.001 0.000 0.266 449 W C 0.434 177.015 176.519 0.103 0.000 1.034 449 W CA 0.683 58.102 57.345 0.123 0.000 0.531 449 W CB -1.615 27.875 29.460 0.049 0.000 2.052 449 W HN 0.672 nan 8.180 nan 0.000 1.427 450 D N 0.462 121.019 120.400 0.261 0.000 2.399 450 D HA 0.284 4.924 4.640 -0.000 0.000 0.241 450 D C 1.303 177.660 176.300 0.096 0.000 1.133 450 D CA 1.449 55.528 54.000 0.132 0.000 0.890 450 D CB 1.072 41.899 40.800 0.044 0.000 1.201 450 D HN 0.063 nan 8.370 nan 0.000 0.432 451 T N -0.355 114.184 114.554 -0.024 0.000 3.043 451 T HA 0.146 4.496 4.350 -0.000 0.000 0.272 451 T C 1.310 175.950 174.700 -0.100 0.000 0.990 451 T CA -0.381 61.646 62.100 -0.122 0.000 0.897 451 T CB 0.108 68.717 68.868 -0.431 0.000 1.111 451 T HN 0.358 nan 8.240 nan 0.000 0.529 452 K N 0.922 121.259 120.400 -0.106 0.000 2.056 452 K HA 0.174 4.494 4.320 -0.000 0.000 0.205 452 K C 2.058 178.589 176.600 -0.114 0.000 1.035 452 K CA 0.820 57.036 56.287 -0.117 0.000 0.955 452 K CB 0.208 32.636 32.500 -0.120 0.000 0.769 452 K HN 0.132 nan 8.250 nan 0.000 0.447 453 Q N -1.381 118.314 119.800 -0.176 0.000 2.462 453 Q HA 0.087 4.427 4.340 -0.000 0.000 0.224 453 Q C 1.297 177.343 176.000 0.078 0.000 0.911 453 Q CA 0.490 56.226 55.803 -0.112 0.000 0.925 453 Q CB 0.382 28.989 28.738 -0.218 0.000 1.063 453 Q HN 0.264 nan 8.270 nan 0.000 0.572 454 Y N 0.919 121.209 120.300 -0.017 0.000 2.546 454 Y HA 0.174 4.723 4.550 -0.000 0.000 0.287 454 Y C -1.670 174.248 175.900 0.030 0.000 1.158 454 Y CA -1.671 56.416 58.100 -0.021 0.000 1.307 454 Y CB -1.495 36.950 38.460 -0.025 0.000 1.036 454 Y HN 0.083 nan 8.280 nan 0.000 0.532 455 P HA 0.008 nan 4.420 nan 0.000 0.269 455 P C -0.136 177.307 177.300 0.239 0.000 1.215 455 P CA 0.421 63.672 63.100 0.251 0.000 0.780 455 P CB 1.373 33.254 31.700 0.302 0.000 0.898 456 I N 1.753 122.431 120.570 0.181 0.000 2.312 456 I HA 0.203 4.373 4.170 -0.000 0.000 0.290 456 I C 1.134 177.252 176.117 0.003 0.000 1.008 456 I CA -0.529 60.823 61.300 0.087 0.000 1.226 456 I CB 0.783 38.788 38.000 0.008 0.000 1.371 456 I HN 0.342 nan 8.210 nan 0.000 0.468 457 Q N 6.317 126.044 119.800 -0.121 0.000 2.332 457 Q HA 0.390 4.730 4.340 -0.000 0.000 0.263 457 Q C -1.028 174.608 176.000 -0.606 0.000 0.979 457 Q CA -0.183 55.228 55.803 -0.655 0.000 0.885 457 Q CB 0.975 29.248 28.738 -0.774 0.000 1.218 457 Q HN 0.600 nan 8.270 nan 0.000 0.405 458 L N 3.265 124.106 121.223 -0.636 0.000 2.376 458 L HA 0.504 4.843 4.340 -0.000 0.000 0.267 458 L C -0.964 175.639 176.870 -0.445 0.000 1.035 458 L CA -0.984 53.674 54.840 -0.305 0.000 0.800 458 L CB 0.908 42.957 42.059 -0.017 0.000 1.290 458 L HN 0.683 nan 8.230 nan 0.000 0.462 459 Y N -1.239 119.177 120.300 0.193 0.000 2.477 459 Y HA 0.300 4.849 4.550 -0.000 0.000 0.347 459 Y C -0.506 175.265 175.900 -0.216 0.000 0.981 459 Y CA -0.691 57.441 58.100 0.054 0.000 1.033 459 Y CB 1.579 40.015 38.460 -0.040 0.000 1.245 459 Y HN 0.255 nan 8.280 nan 0.000 0.455 460 Y N 2.345 122.160 120.300 -0.810 0.000 2.411 460 Y HA 0.263 4.813 4.550 -0.000 0.000 0.333 460 Y C -0.350 175.257 175.900 -0.489 0.000 1.186 460 Y CA -0.660 56.734 58.100 -1.176 0.000 1.381 460 Y CB 0.787 38.316 38.460 -1.551 0.000 1.273 460 Y HN 0.607 nan 8.280 nan 0.000 0.546 461 D N 3.094 122.829 120.400 -1.108 0.000 2.464 461 D HA 0.235 4.875 4.640 -0.000 0.000 0.243 461 D C 0.293 175.926 176.300 -1.112 0.000 1.104 461 D CA -0.229 53.291 54.000 -0.799 0.000 0.883 461 D CB 0.958 41.531 40.800 -0.378 0.000 1.050 461 D HN 0.611 nan 8.370 nan 0.000 0.524 462 S N 2.246 117.348 115.700 -0.997 0.000 2.374 462 S HA -0.263 4.207 4.470 -0.000 0.000 0.227 462 S C 1.800 176.258 174.600 -0.238 0.000 1.037 462 S CA 0.986 58.835 58.200 -0.585 0.000 1.024 462 S CB -0.537 62.532 63.200 -0.218 0.000 0.861 462 S HN 0.722 nan 8.310 nan 0.000 0.456 463 H N 0.267 119.174 119.070 -0.272 0.000 2.387 463 H HA 0.007 4.563 4.556 -0.000 0.000 0.299 463 H C 1.589 176.834 175.328 -0.138 0.000 1.099 463 H CA 1.457 57.408 56.048 -0.162 0.000 1.315 463 H CB 0.019 29.697 29.762 -0.139 0.000 1.380 463 H HN 0.395 nan 8.280 nan 0.000 0.513 464 S N -0.180 115.372 115.700 -0.246 0.000 2.578 464 S HA 0.023 4.493 4.470 -0.000 0.000 0.231 464 S C 0.218 174.735 174.600 -0.139 0.000 0.994 464 S CA -0.248 57.811 58.200 -0.235 0.000 0.956 464 S CB -0.258 62.834 63.200 -0.180 0.000 0.870 464 S HN 0.618 nan 8.310 nan 0.000 0.494 465 N N 2.354 120.961 118.700 -0.154 0.000 2.686 465 N HA -0.179 4.561 4.740 -0.000 0.000 0.261 465 N C -1.418 174.199 175.510 0.177 0.000 1.001 465 N CA 1.313 54.409 53.050 0.078 0.000 0.764 465 N CB -0.858 37.690 38.487 0.103 0.000 0.898 465 N HN 0.639 nan 8.380 nan 0.000 0.544 466 D N -1.032 119.415 120.400 0.078 0.000 2.665 466 D HA 0.381 5.021 4.640 -0.000 0.000 0.287 466 D C -1.097 175.250 176.300 0.078 0.000 1.266 466 D CA -0.471 53.631 54.000 0.171 0.000 0.830 466 D CB -0.085 40.783 40.800 0.114 0.000 1.356 466 D HN 0.122 nan 8.370 nan 0.000 0.437 467 W N 0.619 122.009 121.300 0.150 0.000 2.529 467 W HA 0.650 5.310 4.660 -0.000 0.000 0.321 467 W C 0.695 177.253 176.519 0.064 0.000 1.047 467 W CA -0.460 56.951 57.345 0.110 0.000 1.216 467 W CB 1.497 30.989 29.460 0.054 0.000 1.357 467 W HN 0.496 nan 8.180 nan 0.000 0.489 468 R N 1.876 122.509 120.500 0.222 0.000 2.747 468 R HA 0.952 5.291 4.340 -0.000 0.000 0.272 468 R C -0.783 175.604 176.300 0.145 0.000 1.032 468 R CA -1.193 54.999 56.100 0.154 0.000 0.896 468 R CB 1.548 31.906 30.300 0.097 0.000 1.253 468 R HN 0.661 nan 8.270 nan 0.000 0.461 469 G N 0.163 109.031 108.800 0.114 0.000 2.547 469 G HA2 0.324 4.283 3.960 -0.000 0.000 0.291 469 G HA3 0.324 4.283 3.960 -0.000 0.000 0.291 469 G C -1.957 172.991 174.900 0.080 0.000 1.471 469 G CA -1.070 44.102 45.100 0.119 0.000 0.798 469 G HN 0.495 nan 8.290 nan 0.000 0.504 470 N N -0.145 118.597 118.700 0.070 0.000 2.485 470 N HA 0.512 5.252 4.740 -0.000 0.000 0.243 470 N C -0.451 175.075 175.510 0.027 0.000 0.987 470 N CA -0.318 52.759 53.050 0.045 0.000 0.940 470 N CB 2.127 40.631 38.487 0.030 0.000 1.122 470 N HN 0.339 nan 8.380 nan 0.000 0.509 471 V N 2.142 122.061 119.914 0.009 0.000 2.459 471 V HA 0.339 4.459 4.120 -0.000 0.000 0.295 471 V C 0.202 176.262 176.094 -0.056 0.000 1.029 471 V CA -1.011 61.272 62.300 -0.028 0.000 0.874 471 V CB 1.825 33.610 31.823 -0.062 0.000 0.985 471 V HN 0.257 nan 8.190 nan 0.000 0.438 472 V N 6.300 126.171 119.914 -0.072 0.000 2.439 472 V HA 0.251 4.370 4.120 -0.000 0.000 0.271 472 V C -0.015 175.981 176.094 -0.164 0.000 1.040 472 V CA 0.096 62.335 62.300 -0.102 0.000 1.002 472 V CB 0.668 32.441 31.823 -0.084 0.000 1.000 472 V HN 0.520 nan 8.190 nan 0.000 0.477 473 L N 8.092 129.199 121.223 -0.192 0.000 2.303 473 L HA 0.654 4.994 4.340 -0.000 0.000 0.266 473 L C -2.311 174.386 176.870 -0.288 0.000 1.011 473 L CA -2.137 52.553 54.840 -0.251 0.000 0.818 473 L CB 2.322 44.237 42.059 -0.240 0.000 1.326 473 L HN 0.368 nan 8.230 nan 0.000 0.435 474 P HA 0.193 nan 4.420 nan 0.000 0.281 474 P C -0.943 176.197 177.300 -0.268 0.000 1.286 474 P CA -0.364 62.537 63.100 -0.333 0.000 0.772 474 P CB 0.835 32.299 31.700 -0.393 0.000 0.862 475 A N 4.186 126.868 122.820 -0.230 0.000 2.540 475 A HA 0.022 4.342 4.320 -0.000 0.000 0.239 475 A C 0.895 178.367 177.584 -0.187 0.000 1.061 475 A CA 0.120 52.030 52.037 -0.213 0.000 0.758 475 A CB -0.788 18.114 19.000 -0.162 0.000 0.991 475 A HN 0.694 nan 8.150 nan 0.000 0.502 476 E N -0.631 119.455 120.200 -0.190 0.000 2.791 476 E HA -0.183 4.166 4.350 -0.000 0.000 0.271 476 E C -0.391 176.134 176.600 -0.125 0.000 1.044 476 E CA 0.676 56.991 56.400 -0.142 0.000 0.814 476 E CB -0.953 28.683 29.700 -0.105 0.000 1.400 476 E HN 0.594 nan 8.360 nan 0.000 0.423 477 R N 0.660 121.073 120.500 -0.146 0.000 2.637 477 R HA 0.346 4.686 4.340 -0.000 0.000 0.291 477 R C -0.147 176.109 176.300 -0.074 0.000 0.963 477 R CA -0.975 55.055 56.100 -0.117 0.000 0.901 477 R CB 0.844 31.049 30.300 -0.158 0.000 1.160 477 R HN -0.010 nan 8.270 nan 0.000 0.457 478 N N 3.104 121.786 118.700 -0.030 0.000 2.405 478 N HA 0.194 4.933 4.740 -0.000 0.000 0.260 478 N C 0.209 175.744 175.510 0.042 0.000 1.152 478 N CA 0.009 53.077 53.050 0.030 0.000 0.948 478 N CB 0.661 39.171 38.487 0.038 0.000 1.111 478 N HN 0.477 nan 8.380 nan 0.000 0.485 479 I N -1.456 119.178 120.570 0.106 0.000 2.750 479 I HA 0.591 4.761 4.170 -0.000 0.000 0.308 479 I C -0.269 175.974 176.117 0.210 0.000 1.016 479 I CA -0.737 60.634 61.300 0.118 0.000 1.098 479 I CB 2.000 40.061 38.000 0.101 0.000 1.279 479 I HN 0.046 nan 8.210 nan 0.000 0.454 480 E N 4.216 124.525 120.200 0.182 0.000 2.263 480 E HA 0.512 4.861 4.350 -0.000 0.000 0.268 480 E C -1.505 175.223 176.600 0.213 0.000 0.884 480 E CA -0.348 56.175 56.400 0.206 0.000 0.766 480 E CB 2.739 32.585 29.700 0.243 0.000 1.196 480 E HN 0.688 nan 8.360 nan 0.000 0.416 481 F N -0.054 119.925 119.950 0.048 0.000 2.754 481 F HA 0.783 5.309 4.527 -0.000 0.000 0.320 481 F C -1.246 174.708 175.800 0.256 0.000 1.156 481 F CA -1.173 56.846 58.000 0.031 0.000 0.950 481 F CB 1.900 40.856 39.000 -0.072 0.000 1.388 481 F HN 0.207 nan 8.300 nan 0.000 0.485 482 K N 1.115 121.815 120.400 0.500 0.000 2.569 482 K HA 0.726 5.046 4.320 -0.000 0.000 0.259 482 K C -1.620 175.297 176.600 0.528 0.000 0.932 482 K CA -0.506 56.033 56.287 0.421 0.000 0.833 482 K CB 2.175 35.013 32.500 0.563 0.000 1.340 482 K HN 1.171 nan 8.250 nan 0.000 0.429 483 A N 2.756 125.760 122.820 0.307 0.000 2.304 483 A HA 0.787 5.107 4.320 -0.000 0.000 0.271 483 A C -0.855 176.847 177.584 0.197 0.000 1.091 483 A CA -0.227 51.939 52.037 0.216 0.000 0.812 483 A CB -0.114 19.012 19.000 0.211 0.000 1.056 483 A HN 0.709 nan 8.150 nan 0.000 0.489 484 F N -1.345 118.581 119.950 -0.039 0.000 2.678 484 F HA 0.739 5.266 4.527 -0.000 0.000 0.308 484 F C -1.226 174.518 175.800 -0.094 0.000 1.118 484 F CA -1.267 56.597 58.000 -0.227 0.000 0.959 484 F CB 0.874 39.190 39.000 -1.140 0.000 1.305 484 F HN 0.401 nan 8.300 nan 0.000 0.443 485 I N 2.259 122.872 120.570 0.072 0.000 2.498 485 I HA 0.463 4.633 4.170 -0.000 0.000 0.301 485 I C -0.539 175.579 176.117 0.002 0.000 0.984 485 I CA -0.860 60.369 61.300 -0.119 0.000 1.204 485 I CB 2.003 39.873 38.000 -0.218 0.000 1.362 485 I HN 0.677 nan 8.210 nan 0.000 0.471 486 K N 3.566 123.953 120.400 -0.021 0.000 2.270 486 K HA 0.519 4.838 4.320 -0.000 0.000 0.255 486 K C -0.736 175.858 176.600 -0.010 0.000 0.936 486 K CA -0.444 55.850 56.287 0.012 0.000 0.809 486 K CB 1.603 34.100 32.500 -0.005 0.000 1.131 486 K HN 0.692 nan 8.250 nan 0.000 0.427 487 S N 2.106 117.800 115.700 -0.010 0.000 2.634 487 S HA 0.056 4.526 4.470 -0.000 0.000 0.261 487 S C 1.050 175.653 174.600 0.004 0.000 1.271 487 S CA -0.655 57.538 58.200 -0.013 0.000 0.985 487 S CB 1.211 64.406 63.200 -0.010 0.000 0.968 487 S HN 0.763 nan 8.310 nan 0.000 0.568 488 K N 1.119 121.522 120.400 0.005 0.000 2.152 488 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 488 K C 1.252 177.863 176.600 0.018 0.000 1.048 488 K CA 1.898 58.195 56.287 0.017 0.000 0.933 488 K CB -0.295 32.212 32.500 0.013 0.000 0.721 488 K HN 0.712 nan 8.250 nan 0.000 0.447 489 D N -0.930 119.476 120.400 0.010 0.000 2.348 489 D HA -0.046 4.594 4.640 -0.000 0.000 0.216 489 D C 1.023 177.327 176.300 0.006 0.000 0.970 489 D CA 1.086 55.091 54.000 0.009 0.000 0.889 489 D CB -0.055 40.748 40.800 0.005 0.000 0.912 489 D HN 0.410 nan 8.370 nan 0.000 0.524 490 G N 0.206 109.008 108.800 0.004 0.000 2.140 490 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.211 490 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.211 490 G C 0.199 175.084 174.900 -0.026 0.000 1.013 490 G CA 0.323 45.418 45.100 -0.008 0.000 0.705 490 G HN 0.790 nan 8.290 nan 0.000 0.508 491 T N -2.522 112.021 114.554 -0.018 0.000 2.887 491 T HA 0.684 5.034 4.350 -0.000 0.000 0.288 491 T C 0.166 174.856 174.700 -0.017 0.000 1.021 491 T CA -0.523 61.564 62.100 -0.021 0.000 1.000 491 T CB 2.589 71.451 68.868 -0.010 0.000 1.034 491 T HN 0.893 nan 8.240 nan 0.000 0.467 492 V N 3.309 123.205 119.914 -0.031 0.000 2.458 492 V HA 0.101 4.221 4.120 -0.000 0.000 0.287 492 V C 1.560 177.658 176.094 0.006 0.000 1.009 492 V CA 0.225 62.502 62.300 -0.038 0.000 1.091 492 V CB 0.134 31.884 31.823 -0.122 0.000 0.960 492 V HN 1.009 nan 8.190 nan 0.000 0.476 493 K N 2.796 123.207 120.400 0.018 0.000 2.168 493 K HA 0.114 4.434 4.320 -0.000 0.000 0.201 493 K C 0.609 177.267 176.600 0.097 0.000 1.049 493 K CA 0.952 57.262 56.287 0.039 0.000 0.974 493 K CB 0.436 32.941 32.500 0.008 0.000 0.792 493 K HN 0.867 nan 8.250 nan 0.000 0.463 494 S N -1.859 113.922 115.700 0.134 0.000 2.615 494 S HA 0.442 4.911 4.470 -0.000 0.000 0.269 494 S C -1.753 173.029 174.600 0.302 0.000 1.161 494 S CA -1.140 57.234 58.200 0.290 0.000 0.817 494 S CB 0.716 64.150 63.200 0.391 0.000 1.131 494 S HN 0.215 nan 8.310 nan 0.000 0.467 495 W N 1.020 122.436 121.300 0.193 0.000 2.761 495 W HA 0.591 5.250 4.660 -0.000 0.000 0.340 495 W C 0.069 176.199 176.519 -0.649 0.000 1.072 495 W CA -0.533 56.777 57.345 -0.057 0.000 1.215 495 W CB 1.530 30.941 29.460 -0.083 0.000 1.420 495 W HN 0.908 nan 8.180 nan 0.000 0.519 496 Q N 1.181 120.536 119.800 -0.743 0.000 2.315 496 Q HA -0.038 4.302 4.340 -0.000 0.000 0.289 496 Q C 1.515 177.171 176.000 -0.574 0.000 1.044 496 Q CA 1.223 56.306 55.803 -1.199 0.000 0.920 496 Q CB 1.248 29.641 28.738 -0.574 0.000 1.214 496 Q HN 0.750 nan 8.270 nan 0.000 0.392 497 T N 2.248 116.454 114.554 -0.581 0.000 2.720 497 T HA -0.165 4.184 4.350 -0.000 0.000 0.268 497 T C 0.760 175.342 174.700 -0.195 0.000 1.037 497 T CA 1.045 62.978 62.100 -0.278 0.000 1.144 497 T CB 0.019 68.775 68.868 -0.187 0.000 0.864 497 T HN 0.492 nan 8.240 nan 0.000 0.444 498 I N 0.995 121.450 120.570 -0.192 0.000 2.474 498 I HA 0.402 4.572 4.170 -0.000 0.000 0.294 498 I C -0.320 175.707 176.117 -0.149 0.000 1.005 498 I CA -1.630 59.583 61.300 -0.146 0.000 1.113 498 I CB 1.921 39.853 38.000 -0.113 0.000 1.289 498 I HN 0.277 nan 8.210 nan 0.000 0.436 499 Q N 5.811 125.532 119.800 -0.131 0.000 2.297 499 Q HA 0.183 4.523 4.340 -0.000 0.000 0.267 499 Q C -0.829 175.060 176.000 -0.185 0.000 1.006 499 Q CA -0.365 55.368 55.803 -0.116 0.000 0.896 499 Q CB 0.664 29.360 28.738 -0.070 0.000 1.186 499 Q HN 0.545 nan 8.270 nan 0.000 0.392 500 Q N 1.454 121.024 119.800 -0.383 0.000 2.249 500 Q HA 0.472 4.811 4.340 -0.000 0.000 0.226 500 Q C -0.615 175.077 176.000 -0.513 0.000 0.983 500 Q CA -0.222 55.212 55.803 -0.616 0.000 0.930 500 Q CB 1.865 29.801 28.738 -1.337 0.000 1.193 500 Q HN 0.830 nan 8.270 nan 0.000 0.508 501 S N -1.118 114.419 115.700 -0.272 0.000 2.588 501 S HA 0.646 5.115 4.470 -0.000 0.000 0.269 501 S C -1.833 172.951 174.600 0.307 0.000 1.157 501 S CA -0.920 57.320 58.200 0.067 0.000 0.824 501 S CB 1.462 64.714 63.200 0.087 0.000 1.126 501 S HN 0.577 nan 8.310 nan 0.000 0.464 502 W N 2.099 123.527 121.300 0.213 0.000 2.740 502 W HA 0.466 5.125 4.660 -0.000 0.000 0.316 502 W C -1.807 174.777 176.519 0.109 0.000 1.020 502 W CA -1.198 56.274 57.345 0.212 0.000 1.278 502 W CB 0.965 30.550 29.460 0.209 0.000 1.224 502 W HN 0.869 nan 8.180 nan 0.000 0.393 503 N N 5.932 124.841 118.700 0.348 0.000 2.706 503 N HA 0.381 5.121 4.740 -0.000 0.000 0.240 503 N C -2.167 173.416 175.510 0.122 0.000 1.039 503 N CA -0.776 52.380 53.050 0.177 0.000 0.888 503 N CB 1.754 40.321 38.487 0.133 0.000 1.128 503 N HN 0.066 nan 8.380 nan 0.000 0.512 504 P HA 0.350 nan 4.420 nan 0.000 0.325 504 P C -0.566 176.652 177.300 -0.136 0.000 1.298 504 P CA -0.574 62.521 63.100 -0.008 0.000 0.771 504 P CB 0.914 32.582 31.700 -0.053 0.000 1.389 505 V N 2.795 122.548 119.914 -0.268 0.000 2.508 505 V HA 0.139 4.259 4.120 -0.000 0.000 0.281 505 V C -1.803 173.944 176.094 -0.579 0.000 1.041 505 V CA -1.212 60.702 62.300 -0.643 0.000 1.016 505 V CB 0.206 31.729 31.823 -0.500 0.000 0.984 505 V HN 0.561 nan 8.190 nan 0.000 0.478 506 P HA -0.041 nan 4.420 nan 0.000 0.263 506 P C 0.602 177.722 177.300 -0.301 0.000 1.195 506 P CA -0.131 62.734 63.100 -0.393 0.000 0.762 506 P CB 0.918 32.425 31.700 -0.323 0.000 0.799 507 L N 3.737 124.848 121.223 -0.187 0.000 2.353 507 L HA -0.099 4.241 4.340 -0.000 0.000 0.220 507 L C 1.033 177.833 176.870 -0.115 0.000 1.133 507 L CA 1.621 56.377 54.840 -0.140 0.000 0.798 507 L CB -0.784 41.220 42.059 -0.093 0.000 0.922 507 L HN 0.400 nan 8.230 nan 0.000 0.445 508 K N -1.510 118.825 120.400 -0.107 0.000 2.259 508 K HA 0.392 4.711 4.320 -0.000 0.000 0.249 508 K C -0.522 176.034 176.600 -0.073 0.000 0.942 508 K CA -0.648 55.597 56.287 -0.070 0.000 0.816 508 K CB 0.951 33.428 32.500 -0.038 0.000 1.155 508 K HN -0.148 nan 8.250 nan 0.000 0.428 509 T N 1.942 116.469 114.554 -0.045 0.000 2.902 509 T HA 0.115 4.465 4.350 -0.000 0.000 0.301 509 T C 0.062 174.779 174.700 0.028 0.000 1.012 509 T CA 0.196 62.284 62.100 -0.019 0.000 1.151 509 T CB 0.778 69.642 68.868 -0.007 0.000 0.946 509 T HN 0.772 nan 8.240 nan 0.000 0.542 510 T N 1.353 115.958 114.554 0.085 0.000 2.644 510 T HA 0.562 4.911 4.350 -0.000 0.000 0.288 510 T C -1.377 173.473 174.700 0.250 0.000 1.332 510 T CA -0.572 61.620 62.100 0.153 0.000 1.077 510 T CB 1.002 69.978 68.868 0.181 0.000 1.799 510 T HN 0.492 nan 8.240 nan 0.000 0.451 511 S N 0.328 116.206 115.700 0.296 0.000 2.569 511 S HA 0.595 5.065 4.470 -0.000 0.000 0.280 511 S C -1.922 172.778 174.600 0.166 0.000 1.111 511 S CA -0.639 57.723 58.200 0.271 0.000 0.887 511 S CB 1.417 64.695 63.200 0.131 0.000 1.095 511 S HN 0.692 nan 8.310 nan 0.000 0.476 512 H N 1.780 120.746 119.070 -0.173 0.000 2.762 512 H HA 0.492 5.048 4.556 -0.000 0.000 0.310 512 H C -1.180 174.019 175.328 -0.215 0.000 1.004 512 H CA -0.043 55.670 56.048 -0.557 0.000 1.267 512 H CB 0.654 29.594 29.762 -1.370 0.000 1.437 512 H HN 0.503 nan 8.280 nan 0.000 0.498 513 T N 3.587 118.032 114.554 -0.183 0.000 2.859 513 T HA 0.507 4.857 4.350 -0.000 0.000 0.281 513 T C -0.380 174.302 174.700 -0.029 0.000 1.005 513 T CA -0.640 61.449 62.100 -0.017 0.000 1.025 513 T CB 1.317 70.169 68.868 -0.026 0.000 0.977 513 T HN 0.700 nan 8.240 nan 0.000 0.458 514 S N 1.073 116.823 115.700 0.083 0.000 2.625 514 S HA 0.762 5.231 4.470 -0.000 0.000 0.271 514 S C -1.033 173.628 174.600 0.101 0.000 1.161 514 S CA -0.964 57.278 58.200 0.069 0.000 0.820 514 S CB 1.580 64.842 63.200 0.104 0.000 1.137 514 S HN 0.501 nan 8.310 nan 0.000 0.470 515 S N 0.842 116.593 115.700 0.085 0.000 2.593 515 S HA 0.537 5.007 4.470 -0.000 0.000 0.297 515 S C -0.386 174.314 174.600 0.167 0.000 1.112 515 S CA -0.792 57.489 58.200 0.136 0.000 1.043 515 S CB 0.732 63.994 63.200 0.104 0.000 1.054 515 S HN 0.682 nan 8.310 nan 0.000 0.516 516 W N 0.000 121.325 121.300 0.042 0.000 2.388 516 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 516 W CA 0.000 57.367 57.345 0.038 0.000 1.226 516 W CB 0.000 29.477 29.460 0.029 0.000 1.126 516 W HN 0.000 nan 8.180 nan 0.000 0.535