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 1abb_1_D DATA FIRST_RESID 10 DATA SEQUENCE RKQISVRGLA GVENVTELKK NFNRHLHFTL VKDRNVATPR DYYFALAHTV DATA SEQUENCE RDHLVGRWIR TQQHYYEKDP KRIYYLSLEF YMGRTLQNTM VNLALENACD DATA SEQUENCE EATYQLGLDM EELEEIEEDA GLGNGGLGRL AACFLDSMAT LGLAAYGYGI DATA SEQUENCE RYEFGIFNQK ICGGWQMEEA DDWLRYGNPW EKARPEFTLP VHFYGRVEHT DATA SEQUENCE SQGAKWVDTQ VVLAMPYDTP VPGYRNNVVN TMRLWSAKAP NDFNLKDFNV DATA SEQUENCE GGYIQAVLDR NLAENISRVL YPNXXXXEGK ELRLKQEYFV VAATLQDIIR DATA SEQUENCE RFKSSKFGCR DPVRTNFDAF PDKVAIQLND THPSLAIPEL MRVLVDLERL DATA SEQUENCE DWDKAWEVTV KTCAYTNHTV IPEALERWPV HLLETLLPRH LQIIYEINQR DATA SEQUENCE FLNRVAAAFP GDVDRLRRMS LVEEGAVKRI NMAHLCIAGS HAVNGVARIH DATA SEQUENCE SEILKKTIFK DFYELEPHKF QNKTNGITPR RWLVLCNPGL AEIIAERIGE DATA SEQUENCE EYISDLDQLR KLLSYVDDEA FIRDVAKVKQ ENKLKFAAYL EREYKVHINP DATA SEQUENCE NSLFDVQVKR IHEYKRQLLN CLHVITLYNR IKKEPNKFVV PRTVMIGGKA DATA SEQUENCE APGYHMAKMI IKLITAIGDV VNHDPVVGDR LRVIFLENYR VSLAEKVIPA DATA SEQUENCE ADLSEQISTA GTEASGTGNM KFMLNGALTI GTMDGANVEM AEEAGEENFF DATA SEQUENCE IFGMRVEDVD RLDQRGYNAQ EYYDRIPELR QIIEQLSSGF FSPKQPDLFK DATA SEQUENCE DIVNMLMHHD RFKVFADYEE YVKCQERVSA LYKNPREWTR MVIRNIATSG DATA SEQUENCE KFSSDRTIAQ YAREIWGVEP SRQRLPAP 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.298 176.300 -0.003 0.000 0.893 10 R CA 0.000 56.098 56.100 -0.004 0.000 0.921 10 R CB 0.000 30.298 30.300 -0.004 0.000 0.687 11 K N 1.572 121.970 120.400 -0.003 0.000 2.444 11 K HA -0.127 4.193 4.320 -0.001 0.000 0.200 11 K C 1.226 177.825 176.600 -0.002 0.000 1.045 11 K CA 1.164 57.450 56.287 -0.002 0.000 0.934 11 K CB 0.063 32.562 32.500 -0.002 0.000 0.756 11 K HN 0.330 nan 8.250 nan 0.000 0.477 12 Q N -0.061 119.738 119.800 -0.002 0.000 2.436 12 Q HA 0.014 4.353 4.340 -0.001 0.000 0.209 12 Q C 0.210 176.210 176.000 -0.001 0.000 0.965 12 Q CA 0.417 56.219 55.803 -0.002 0.000 0.910 12 Q CB 0.194 28.930 28.738 -0.003 0.000 0.980 12 Q HN 0.309 nan 8.270 nan 0.000 0.491 13 I N 1.000 121.570 120.570 -0.001 0.000 2.281 13 I HA 0.103 4.272 4.170 -0.001 0.000 0.293 13 I C 0.077 176.195 176.117 0.002 0.000 1.085 13 I CA -0.154 61.147 61.300 0.001 0.000 1.257 13 I CB 0.959 38.959 38.000 -0.000 0.000 1.430 13 I HN -0.156 nan 8.210 nan 0.000 0.489 14 S N 3.946 119.649 115.700 0.005 0.000 2.607 14 S HA 0.444 4.913 4.470 -0.001 0.000 0.273 14 S C 0.585 175.192 174.600 0.011 0.000 1.148 14 S CA -0.672 57.532 58.200 0.006 0.000 0.833 14 S CB 1.939 65.141 63.200 0.003 0.000 1.130 14 S HN 0.265 nan 8.310 nan 0.000 0.470 15 V N 4.508 124.430 119.914 0.012 0.000 3.041 15 V HA -0.039 4.080 4.120 -0.001 0.000 0.260 15 V C 2.666 178.771 176.094 0.019 0.000 1.105 15 V CA 1.571 63.883 62.300 0.020 0.000 1.125 15 V CB -1.337 30.497 31.823 0.019 0.000 0.730 15 V HN 0.855 nan 8.190 nan 0.000 0.479 16 R N 2.256 122.764 120.500 0.013 0.000 2.115 16 R HA -0.172 4.168 4.340 -0.001 0.000 0.239 16 R C 2.033 178.342 176.300 0.016 0.000 1.133 16 R CA 2.317 58.424 56.100 0.012 0.000 0.935 16 R CB -1.258 29.046 30.300 0.007 0.000 0.853 16 R HN 0.436 nan 8.270 nan 0.000 0.433 17 G N 1.215 110.024 108.800 0.016 0.000 3.124 17 G HA2 0.152 4.112 3.960 -0.001 0.000 0.212 17 G HA3 0.152 4.112 3.960 -0.001 0.000 0.212 17 G C 0.620 175.535 174.900 0.024 0.000 1.181 17 G CA -0.298 44.812 45.100 0.018 0.000 0.803 17 G HN 0.139 nan 8.290 nan 0.000 0.529 18 L N 0.929 122.169 121.223 0.028 0.000 2.783 18 L HA 0.570 4.910 4.340 -0.001 0.000 0.236 18 L C 0.676 177.570 176.870 0.040 0.000 1.225 18 L CA -0.678 54.179 54.840 0.028 0.000 1.026 18 L CB -1.309 40.762 42.059 0.021 0.000 1.314 18 L HN 0.180 nan 8.230 nan 0.000 0.489 19 A N -1.118 121.741 122.820 0.065 0.000 2.540 19 A HA 0.736 5.055 4.320 -0.001 0.000 0.297 19 A C 0.395 178.043 177.584 0.108 0.000 1.056 19 A CA 0.006 52.114 52.037 0.120 0.000 0.700 19 A CB 1.254 20.360 19.000 0.177 0.000 1.280 19 A HN 0.149 nan 8.150 nan 0.000 0.398 20 G N 1.166 110.045 108.800 0.131 0.000 4.331 20 G HA2 0.462 4.422 3.960 -0.001 0.000 0.299 20 G HA3 0.462 4.422 3.960 -0.001 0.000 0.299 20 G C 0.926 175.872 174.900 0.078 0.000 1.158 20 G CA 0.679 45.829 45.100 0.084 0.000 0.916 20 G HN 1.617 nan 8.290 nan 0.000 0.553 21 V N 0.340 120.305 119.914 0.085 0.000 2.273 21 V HA -0.189 3.931 4.120 -0.001 0.000 0.248 21 V C 0.931 176.980 176.094 -0.075 0.000 1.023 21 V CA 1.929 64.198 62.300 -0.052 0.000 1.055 21 V CB -0.102 31.624 31.823 -0.163 0.000 0.692 21 V HN 0.326 nan 8.190 nan 0.000 0.491 22 E N 2.761 122.921 120.200 -0.066 0.000 2.029 22 E HA 0.270 4.620 4.350 -0.001 0.000 0.276 22 E C -0.310 176.280 176.600 -0.017 0.000 1.163 22 E CA 0.329 56.697 56.400 -0.053 0.000 0.909 22 E CB -0.474 29.195 29.700 -0.052 0.000 1.046 22 E HN 0.614 nan 8.360 nan 0.000 0.406 23 N N 2.917 121.616 118.700 -0.002 0.000 3.063 23 N HA -0.016 4.724 4.740 -0.001 0.000 0.242 23 N C 0.163 175.689 175.510 0.026 0.000 1.146 23 N CA -0.131 52.929 53.050 0.016 0.000 0.974 23 N CB 1.024 39.528 38.487 0.028 0.000 1.584 23 N HN -0.019 nan 8.380 nan 0.000 0.636 24 V N 2.043 121.969 119.914 0.020 0.000 3.241 24 V HA -0.061 4.059 4.120 -0.001 0.000 0.269 24 V C 1.807 177.913 176.094 0.019 0.000 1.151 24 V CA 1.632 63.944 62.300 0.020 0.000 1.158 24 V CB -0.381 31.452 31.823 0.016 0.000 0.764 24 V HN 0.656 nan 8.190 nan 0.000 0.508 25 T N -1.496 113.073 114.554 0.024 0.000 3.038 25 T HA 0.040 4.389 4.350 -0.001 0.000 0.244 25 T C 1.835 176.557 174.700 0.038 0.000 1.016 25 T CA 0.193 62.305 62.100 0.021 0.000 1.098 25 T CB 0.179 69.054 68.868 0.012 0.000 0.954 25 T HN 0.344 nan 8.240 nan 0.000 0.469 26 E N 1.393 121.623 120.200 0.051 0.000 2.107 26 E HA 0.098 4.448 4.350 -0.001 0.000 0.191 26 E C 2.095 178.757 176.600 0.103 0.000 0.982 26 E CA 0.635 57.077 56.400 0.070 0.000 0.809 26 E CB -0.211 29.535 29.700 0.077 0.000 0.756 26 E HN 0.413 nan 8.360 nan 0.000 0.459 27 L N 0.764 122.057 121.223 0.117 0.000 2.275 27 L HA -0.130 4.209 4.340 -0.001 0.000 0.215 27 L C 2.317 179.271 176.870 0.140 0.000 1.119 27 L CA 0.998 55.933 54.840 0.158 0.000 0.790 27 L CB -0.082 42.060 42.059 0.138 0.000 0.919 27 L HN -0.020 nan 8.230 nan 0.000 0.443 28 K N -0.407 120.042 120.400 0.082 0.000 2.228 28 K HA -0.142 4.178 4.320 -0.001 0.000 0.202 28 K C 2.053 178.715 176.600 0.103 0.000 1.051 28 K CA 0.627 56.955 56.287 0.067 0.000 0.960 28 K CB 0.123 32.627 32.500 0.006 0.000 0.743 28 K HN 0.178 nan 8.250 nan 0.000 0.458 29 K N 0.983 121.431 120.400 0.080 0.000 2.007 29 K HA -0.081 4.239 4.320 -0.001 0.000 0.206 29 K C 1.455 178.087 176.600 0.054 0.000 1.047 29 K CA 1.303 57.623 56.287 0.056 0.000 0.937 29 K CB 0.141 32.665 32.500 0.039 0.000 0.718 29 K HN 0.036 nan 8.250 nan 0.000 0.438 30 N N 0.183 118.930 118.700 0.078 0.000 2.457 30 N HA -0.108 4.632 4.740 -0.001 0.000 0.180 30 N C 1.355 176.936 175.510 0.118 0.000 1.050 30 N CA 0.523 53.590 53.050 0.029 0.000 0.906 30 N CB -0.198 38.343 38.487 0.090 0.000 0.968 30 N HN 0.169 nan 8.380 nan 0.000 0.445 31 F N 2.280 122.271 119.950 0.068 0.000 2.084 31 F HA -0.038 4.489 4.527 -0.001 0.000 0.296 31 F C 1.941 177.749 175.800 0.013 0.000 1.111 31 F CA 1.235 59.288 58.000 0.088 0.000 1.224 31 F CB -0.301 38.734 39.000 0.058 0.000 0.991 31 F HN -0.034 nan 8.300 nan 0.000 0.471 32 N N 0.587 119.427 118.700 0.233 0.000 2.094 32 N HA -0.227 4.512 4.740 -0.001 0.000 0.191 32 N C 2.085 177.520 175.510 -0.126 0.000 1.023 32 N CA 1.486 54.588 53.050 0.086 0.000 0.857 32 N CB -0.384 38.184 38.487 0.135 0.000 1.013 32 N HN 0.391 nan 8.380 nan 0.000 0.426 33 R N 0.008 120.376 120.500 -0.220 0.000 2.073 33 R HA -0.105 4.235 4.340 -0.001 0.000 0.234 33 R C 1.839 177.876 176.300 -0.439 0.000 1.134 33 R CA 1.435 57.299 56.100 -0.393 0.000 0.952 33 R CB -0.270 29.803 30.300 -0.379 0.000 0.850 33 R HN 0.488 nan 8.270 nan 0.000 0.433 34 H N -0.530 118.407 119.070 -0.222 0.000 2.502 34 H HA -0.060 4.496 4.556 -0.001 0.000 0.283 34 H C 1.660 176.779 175.328 -0.348 0.000 1.015 34 H CA 0.787 56.668 56.048 -0.279 0.000 1.298 34 H CB 0.126 29.708 29.762 -0.301 0.000 1.411 34 H HN 0.089 nan 8.280 nan 0.000 0.556 35 L N -0.064 120.935 121.223 -0.373 0.000 2.217 35 L HA -0.060 4.280 4.340 -0.001 0.000 0.211 35 L C 1.248 177.851 176.870 -0.445 0.000 1.107 35 L CA 1.731 56.304 54.840 -0.445 0.000 0.783 35 L CB -0.122 41.608 42.059 -0.547 0.000 0.919 35 L HN 0.230 nan 8.230 nan 0.000 0.442 36 H N -2.534 116.378 119.070 -0.263 0.000 2.406 36 H HA 0.152 4.708 4.556 -0.001 0.000 0.304 36 H C 1.424 176.709 175.328 -0.072 0.000 1.042 36 H CA 1.373 57.290 56.048 -0.220 0.000 1.360 36 H CB -0.113 29.415 29.762 -0.391 0.000 1.448 36 H HN 0.185 nan 8.280 nan 0.000 0.553 37 F N 0.061 120.018 119.950 0.012 0.000 2.473 37 F HA 0.083 4.609 4.527 -0.001 0.000 0.294 37 F C 2.025 177.761 175.800 -0.105 0.000 1.103 37 F CA 0.732 58.701 58.000 -0.053 0.000 1.442 37 F CB -0.611 38.347 39.000 -0.070 0.000 1.097 37 F HN 0.060 nan 8.300 nan 0.000 0.547 38 T N -0.312 114.248 114.554 0.010 0.000 2.983 38 T HA 0.056 4.406 4.350 -0.001 0.000 0.250 38 T C 1.855 176.463 174.700 -0.153 0.000 1.037 38 T CA 0.557 62.583 62.100 -0.123 0.000 1.142 38 T CB -0.192 68.500 68.868 -0.292 0.000 0.876 38 T HN -0.016 nan 8.240 nan 0.000 0.455 39 L N 1.191 122.323 121.223 -0.152 0.000 2.446 39 L HA 0.233 4.573 4.340 -0.001 0.000 0.219 39 L C 0.658 177.475 176.870 -0.087 0.000 1.116 39 L CA 0.541 55.297 54.840 -0.140 0.000 0.844 39 L CB -0.324 41.641 42.059 -0.157 0.000 0.970 39 L HN 0.038 nan 8.230 nan 0.000 0.457 40 V N -0.388 119.504 119.914 -0.037 0.000 5.616 40 V HA -0.309 3.810 4.120 -0.001 0.000 0.301 40 V C 0.442 176.529 176.094 -0.011 0.000 0.564 40 V CA 0.840 63.148 62.300 0.013 0.000 0.653 40 V CB -2.261 29.567 31.823 0.008 0.000 0.372 40 V HN 0.350 nan 8.190 nan 0.000 1.029 41 K N 0.994 121.368 120.400 -0.044 0.000 2.349 41 K HA 0.842 5.162 4.320 -0.001 0.000 0.243 41 K C -0.346 176.235 176.600 -0.032 0.000 1.058 41 K CA -0.310 55.940 56.287 -0.061 0.000 0.871 41 K CB 2.386 34.805 32.500 -0.136 0.000 1.337 41 K HN 0.496 nan 8.250 nan 0.000 0.469 42 D N -1.627 118.763 120.400 -0.016 0.000 2.610 42 D HA 0.165 4.805 4.640 -0.001 0.000 0.271 42 D C 0.308 176.637 176.300 0.048 0.000 1.174 42 D CA -0.676 53.379 54.000 0.092 0.000 0.949 42 D CB 0.955 41.845 40.800 0.149 0.000 1.430 42 D HN 0.466 nan 8.370 nan 0.000 0.467 43 R N 0.102 120.690 120.500 0.147 0.000 2.328 43 R HA 0.080 4.420 4.340 -0.001 0.000 0.207 43 R C 0.423 176.796 176.300 0.122 0.000 1.056 43 R CA 0.997 57.207 56.100 0.182 0.000 1.016 43 R CB -0.717 29.710 30.300 0.212 0.000 0.872 43 R HN 0.225 nan 8.270 nan 0.000 0.471 44 N N -0.276 118.472 118.700 0.080 0.000 2.446 44 N HA 0.008 4.748 4.740 -0.001 0.000 0.179 44 N C 0.151 175.679 175.510 0.030 0.000 1.054 44 N CA 0.759 53.842 53.050 0.054 0.000 0.905 44 N CB 0.808 39.322 38.487 0.044 0.000 0.973 44 N HN 0.057 nan 8.380 nan 0.000 0.448 45 V N -1.306 118.611 119.914 0.005 0.000 3.432 45 V HA 0.390 4.510 4.120 -0.001 0.000 0.290 45 V C 0.429 176.470 176.094 -0.088 0.000 1.591 45 V CA -0.278 62.007 62.300 -0.025 0.000 1.069 45 V CB -0.061 31.750 31.823 -0.021 0.000 0.892 45 V HN 0.143 nan 8.190 nan 0.000 0.436 46 A N 0.456 123.175 122.820 -0.167 0.000 2.409 46 A HA 0.596 4.915 4.320 -0.001 0.000 0.246 46 A C 0.419 177.808 177.584 -0.325 0.000 1.099 46 A CA 0.714 52.513 52.037 -0.396 0.000 0.789 46 A CB 0.264 18.674 19.000 -0.982 0.000 1.053 46 A HN 0.293 nan 8.150 nan 0.000 0.503 47 T N 0.700 115.033 114.554 -0.368 0.000 2.916 47 T HA 0.541 4.891 4.350 -0.001 0.000 0.292 47 T C -1.806 172.813 174.700 -0.135 0.000 1.055 47 T CA -0.883 61.117 62.100 -0.166 0.000 1.009 47 T CB 1.751 70.549 68.868 -0.117 0.000 1.118 47 T HN 0.503 nan 8.240 nan 0.000 0.497 48 P HA -0.267 nan 4.420 nan 0.000 0.219 48 P C 1.430 178.772 177.300 0.070 0.000 1.161 48 P CA 1.471 64.669 63.100 0.164 0.000 0.909 48 P CB 0.236 31.997 31.700 0.103 0.000 0.793 49 R N 0.012 120.489 120.500 -0.038 0.000 2.133 49 R HA -0.172 4.168 4.340 -0.001 0.000 0.247 49 R C 2.187 178.395 176.300 -0.154 0.000 1.151 49 R CA 2.154 58.178 56.100 -0.128 0.000 0.971 49 R CB -0.799 29.407 30.300 -0.155 0.000 0.866 49 R HN 0.169 nan 8.270 nan 0.000 0.447 50 D N -1.020 119.329 120.400 -0.084 0.000 2.097 50 D HA -0.171 4.469 4.640 -0.001 0.000 0.197 50 D C 1.703 177.945 176.300 -0.097 0.000 0.984 50 D CA 1.374 55.329 54.000 -0.075 0.000 0.826 50 D CB -0.230 40.394 40.800 -0.293 0.000 0.973 50 D HN 0.298 nan 8.370 nan 0.000 0.460 51 Y N -0.009 120.299 120.300 0.013 0.000 2.293 51 Y HA -0.186 4.363 4.550 -0.001 0.000 0.291 51 Y C 2.221 178.174 175.900 0.088 0.000 1.137 51 Y CA 0.317 58.483 58.100 0.111 0.000 1.202 51 Y CB -0.892 37.720 38.460 0.253 0.000 0.990 51 Y HN 0.113 nan 8.280 nan 0.000 0.537 52 Y N -0.577 119.767 120.300 0.072 0.000 2.163 52 Y HA -0.217 4.333 4.550 -0.001 0.000 0.288 52 Y C 1.882 177.697 175.900 -0.142 0.000 1.136 52 Y CA 1.010 59.072 58.100 -0.064 0.000 1.147 52 Y CB -1.078 37.242 38.460 -0.233 0.000 0.987 52 Y HN -0.002 nan 8.280 nan 0.000 0.509 53 F N 0.594 120.240 119.950 -0.506 0.000 2.171 53 F HA -0.126 4.401 4.527 -0.001 0.000 0.300 53 F C 2.657 178.254 175.800 -0.338 0.000 1.090 53 F CA 1.068 58.761 58.000 -0.512 0.000 1.293 53 F CB -1.387 37.466 39.000 -0.245 0.000 1.013 53 F HN 0.216 nan 8.300 nan 0.000 0.486 54 A N 0.034 122.758 122.820 -0.161 0.000 1.851 54 A HA -0.197 4.123 4.320 -0.001 0.000 0.216 54 A C 2.182 179.582 177.584 -0.307 0.000 1.195 54 A CA 1.754 53.564 52.037 -0.379 0.000 0.622 54 A CB -1.245 17.209 19.000 -0.910 0.000 0.831 54 A HN 0.295 nan 8.150 nan 0.000 0.444 55 L N -0.192 120.955 121.223 -0.126 0.000 2.046 55 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 55 L C 2.688 179.503 176.870 -0.093 0.000 1.077 55 L CA 2.242 57.164 54.840 0.137 0.000 0.747 55 L CB -1.075 41.165 42.059 0.302 0.000 0.896 55 L HN 0.384 nan 8.230 nan 0.000 0.432 56 A N -1.576 121.011 122.820 -0.388 0.000 1.972 56 A HA -0.241 4.079 4.320 -0.001 0.000 0.219 56 A C 2.007 179.118 177.584 -0.788 0.000 1.169 56 A CA 1.807 53.441 52.037 -0.672 0.000 0.635 56 A CB -0.918 17.403 19.000 -1.132 0.000 0.810 56 A HN 0.681 nan 8.150 nan 0.000 0.446 57 H N -1.034 117.675 119.070 -0.602 0.000 2.436 57 H HA 0.007 4.563 4.556 -0.001 0.000 0.294 57 H C 2.202 177.165 175.328 -0.608 0.000 1.048 57 H CA 1.637 57.236 56.048 -0.748 0.000 1.353 57 H CB -0.218 28.834 29.762 -1.183 0.000 1.414 57 H HN 0.422 nan 8.280 nan 0.000 0.536 58 T N 0.007 114.449 114.554 -0.186 0.000 2.821 58 T HA -0.103 4.246 4.350 -0.001 0.000 0.267 58 T C 2.149 176.959 174.700 0.183 0.000 1.046 58 T CA 1.356 63.521 62.100 0.107 0.000 1.139 58 T CB -0.274 68.752 68.868 0.264 0.000 0.871 58 T HN 0.143 nan 8.240 nan 0.000 0.454 59 V N 1.040 121.068 119.914 0.191 0.000 2.719 59 V HA -0.002 4.118 4.120 -0.001 0.000 0.252 59 V C 2.499 178.761 176.094 0.280 0.000 1.065 59 V CA 1.107 63.594 62.300 0.312 0.000 1.086 59 V CB -0.641 31.369 31.823 0.312 0.000 0.700 59 V HN 0.302 nan 8.190 nan 0.000 0.467 60 R N 0.560 121.137 120.500 0.127 0.000 2.081 60 R HA -0.159 4.181 4.340 -0.001 0.000 0.235 60 R C 2.033 178.363 176.300 0.050 0.000 1.131 60 R CA 1.815 57.984 56.100 0.114 0.000 0.960 60 R CB -0.274 29.952 30.300 -0.124 0.000 0.856 60 R HN 0.575 nan 8.270 nan 0.000 0.436 61 D N -0.779 119.596 120.400 -0.041 0.000 2.218 61 D HA -0.161 4.479 4.640 -0.001 0.000 0.204 61 D C 1.585 177.846 176.300 -0.064 0.000 0.976 61 D CA 1.289 55.255 54.000 -0.058 0.000 0.853 61 D CB -0.338 40.404 40.800 -0.096 0.000 0.939 61 D HN 0.515 nan 8.370 nan 0.000 0.481 62 H N 0.631 119.758 119.070 0.095 0.000 2.270 62 H HA -0.015 4.541 4.556 -0.001 0.000 0.299 62 H C 2.438 177.820 175.328 0.090 0.000 1.077 62 H CA 0.711 56.811 56.048 0.086 0.000 1.294 62 H CB -0.142 29.669 29.762 0.083 0.000 1.371 62 H HN -0.008 nan 8.280 nan 0.000 0.491 63 L N 0.469 121.834 121.223 0.237 0.000 1.971 63 L HA -0.209 4.131 4.340 -0.001 0.000 0.215 63 L C 2.444 179.427 176.870 0.187 0.000 1.072 63 L CA 1.601 56.549 54.840 0.181 0.000 0.758 63 L CB -0.380 41.781 42.059 0.169 0.000 0.889 63 L HN 0.325 nan 8.230 nan 0.000 0.433 64 V N -3.393 116.612 119.914 0.151 0.000 3.305 64 V HA -0.001 4.118 4.120 -0.001 0.000 0.269 64 V C 2.109 178.332 176.094 0.214 0.000 1.157 64 V CA 1.278 63.691 62.300 0.187 0.000 1.157 64 V CB -1.338 30.516 31.823 0.052 0.000 0.772 64 V HN 0.435 nan 8.190 nan 0.000 0.498 65 G N 0.763 109.655 108.800 0.153 0.000 2.394 65 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.214 65 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.214 65 G C 1.753 176.721 174.900 0.114 0.000 1.176 65 G CA 0.700 45.873 45.100 0.121 0.000 0.786 65 G HN 0.485 nan 8.290 nan 0.000 0.533 66 R N -1.093 119.481 120.500 0.123 0.000 2.073 66 R HA -0.086 4.254 4.340 -0.001 0.000 0.234 66 R C 2.242 178.586 176.300 0.073 0.000 1.134 66 R CA 1.289 57.434 56.100 0.076 0.000 0.952 66 R CB -0.531 29.813 30.300 0.074 0.000 0.850 66 R HN 0.487 nan 8.270 nan 0.000 0.433 67 W N 1.883 123.177 121.300 -0.011 0.000 2.304 67 W HA -0.265 4.395 4.660 -0.001 0.000 0.315 67 W C 1.646 178.144 176.519 -0.035 0.000 1.233 67 W CA 1.640 58.973 57.345 -0.021 0.000 1.261 67 W CB -0.121 29.342 29.460 0.006 0.000 1.150 67 W HN -0.022 nan 8.180 nan 0.000 0.494 68 I N 0.414 121.029 120.570 0.075 0.000 2.179 68 I HA -0.284 3.886 4.170 -0.001 0.000 0.242 68 I C 2.500 178.495 176.117 -0.203 0.000 1.088 68 I CA 1.564 62.800 61.300 -0.107 0.000 1.357 68 I CB -1.678 36.354 38.000 0.053 0.000 1.051 68 I HN 0.032 nan 8.210 nan 0.000 0.409 69 R N 0.893 121.320 120.500 -0.122 0.000 2.080 69 R HA -0.125 4.215 4.340 -0.001 0.000 0.236 69 R C 2.334 178.509 176.300 -0.208 0.000 1.137 69 R CA 1.829 57.850 56.100 -0.132 0.000 0.943 69 R CB -1.398 28.846 30.300 -0.094 0.000 0.846 69 R HN 0.354 nan 8.270 nan 0.000 0.431 70 T N 2.025 116.410 114.554 -0.282 0.000 2.620 70 T HA -0.198 4.151 4.350 -0.001 0.000 0.267 70 T C 1.846 176.119 174.700 -0.710 0.000 1.044 70 T CA 1.625 63.460 62.100 -0.441 0.000 1.161 70 T CB -0.116 68.482 68.868 -0.451 0.000 0.862 70 T HN 0.236 nan 8.240 nan 0.000 0.438 71 Q N 0.903 120.308 119.800 -0.659 0.000 2.079 71 Q HA -0.034 4.305 4.340 -0.001 0.000 0.200 71 Q C 2.493 178.327 176.000 -0.278 0.000 0.974 71 Q CA 1.325 56.784 55.803 -0.574 0.000 0.840 71 Q CB -0.454 27.818 28.738 -0.777 0.000 0.898 71 Q HN 0.682 nan 8.270 nan 0.000 0.430 72 Q N -0.459 119.206 119.800 -0.224 0.000 2.124 72 Q HA -0.212 4.128 4.340 -0.001 0.000 0.202 72 Q C 2.011 178.034 176.000 0.039 0.000 0.977 72 Q CA 1.470 57.223 55.803 -0.083 0.000 0.850 72 Q CB -0.333 28.357 28.738 -0.081 0.000 0.901 72 Q HN 0.477 nan 8.270 nan 0.000 0.429 73 H N 0.180 119.176 119.070 -0.122 0.000 2.290 73 H HA -0.198 4.358 4.556 -0.001 0.000 0.298 73 H C 1.489 176.861 175.328 0.073 0.000 1.087 73 H CA 1.910 57.920 56.048 -0.064 0.000 1.291 73 H CB -0.266 29.404 29.762 -0.154 0.000 1.369 73 H HN 0.236 nan 8.280 nan 0.000 0.492 74 Y N -0.853 119.397 120.300 -0.084 0.000 2.181 74 Y HA -0.177 4.373 4.550 -0.001 0.000 0.288 74 Y C 2.439 178.323 175.900 -0.026 0.000 1.146 74 Y CA 1.016 59.028 58.100 -0.147 0.000 1.164 74 Y CB -1.327 37.084 38.460 -0.081 0.000 0.982 74 Y HN 0.304 nan 8.280 nan 0.000 0.515 75 Y N 0.440 120.780 120.300 0.066 0.000 2.421 75 Y HA -0.116 4.434 4.550 -0.001 0.000 0.292 75 Y C 1.976 177.889 175.900 0.020 0.000 1.136 75 Y CA 1.119 59.246 58.100 0.045 0.000 1.255 75 Y CB 0.075 38.551 38.460 0.028 0.000 0.991 75 Y HN 0.074 nan 8.280 nan 0.000 0.552 76 E N -0.648 119.646 120.200 0.157 0.000 2.307 76 E HA -0.046 4.304 4.350 -0.001 0.000 0.195 76 E C 1.737 178.360 176.600 0.039 0.000 0.975 76 E CA 0.513 56.966 56.400 0.089 0.000 0.878 76 E CB -0.018 29.729 29.700 0.078 0.000 0.845 76 E HN 0.189 nan 8.360 nan 0.000 0.488 77 K N 1.590 121.990 120.400 0.000 0.000 2.444 77 K HA -0.046 4.273 4.320 -0.001 0.000 0.193 77 K C -0.230 176.340 176.600 -0.051 0.000 1.024 77 K CA 0.219 56.478 56.287 -0.047 0.000 1.077 77 K CB -0.089 32.313 32.500 -0.163 0.000 0.833 77 K HN -0.218 nan 8.250 nan 0.000 0.517 78 D N 2.061 122.436 120.400 -0.041 0.000 2.916 78 D HA -0.158 4.482 4.640 -0.001 0.000 0.209 78 D C -1.986 174.268 176.300 -0.077 0.000 1.255 78 D CA 0.386 54.347 54.000 -0.065 0.000 0.627 78 D CB -0.077 40.701 40.800 -0.037 0.000 0.959 78 D HN 0.376 nan 8.370 nan 0.000 0.393 79 P HA -0.023 nan 4.420 nan 0.000 0.272 79 P C 0.219 177.435 177.300 -0.140 0.000 1.254 79 P CA -0.320 62.690 63.100 -0.150 0.000 0.795 79 P CB 0.669 32.216 31.700 -0.255 0.000 1.022 80 K N 0.964 121.289 120.400 -0.124 0.000 2.237 80 K HA 0.147 4.467 4.320 -0.001 0.000 0.270 80 K C 0.271 176.756 176.600 -0.192 0.000 1.015 80 K CA -0.196 56.024 56.287 -0.112 0.000 0.949 80 K CB 0.422 32.882 32.500 -0.066 0.000 0.976 80 K HN 0.390 nan 8.250 nan 0.000 0.472 81 R N 3.323 123.719 120.500 -0.173 0.000 2.562 81 R HA 0.398 4.737 4.340 -0.001 0.000 0.298 81 R C -0.452 175.672 176.300 -0.294 0.000 0.961 81 R CA -0.840 55.110 56.100 -0.250 0.000 0.881 81 R CB 1.434 31.665 30.300 -0.116 0.000 1.159 81 R HN 0.560 nan 8.270 nan 0.000 0.450 82 I N 2.487 122.786 120.570 -0.452 0.000 2.436 82 I HA 0.326 4.495 4.170 -0.001 0.000 0.289 82 I C -1.454 174.422 176.117 -0.402 0.000 1.010 82 I CA -0.818 60.211 61.300 -0.452 0.000 1.098 82 I CB 1.314 38.792 38.000 -0.870 0.000 1.266 82 I HN 0.588 nan 8.210 nan 0.000 0.434 83 Y N 7.498 127.794 120.300 -0.007 0.000 2.518 83 Y HA 0.215 4.765 4.550 -0.001 0.000 0.344 83 Y C -0.305 175.699 175.900 0.174 0.000 0.982 83 Y CA -0.423 57.777 58.100 0.166 0.000 1.234 83 Y CB 0.391 38.895 38.460 0.074 0.000 1.114 83 Y HN 0.485 nan 8.280 nan 0.000 0.515 84 Y N 4.701 125.139 120.300 0.230 0.000 2.674 84 Y HA 0.221 4.770 4.550 -0.001 0.000 0.354 84 Y C -0.377 175.746 175.900 0.372 0.000 1.089 84 Y CA -0.388 57.865 58.100 0.254 0.000 1.444 84 Y CB -0.134 38.472 38.460 0.243 0.000 1.187 84 Y HN 0.550 nan 8.280 nan 0.000 0.523 85 L N 5.428 126.657 121.223 0.009 0.000 2.290 85 L HA 0.400 4.739 4.340 -0.001 0.000 0.284 85 L C -0.072 176.792 176.870 -0.009 0.000 1.078 85 L CA 0.006 54.923 54.840 0.128 0.000 0.815 85 L CB 0.782 42.892 42.059 0.084 0.000 1.162 85 L HN 0.650 nan 8.230 nan 0.000 0.435 86 S N 3.049 118.849 115.700 0.167 0.000 2.547 86 S HA 0.392 4.861 4.470 -0.001 0.000 0.270 86 S C -0.220 174.529 174.600 0.248 0.000 1.150 86 S CA -0.661 57.570 58.200 0.051 0.000 0.850 86 S CB 1.320 64.352 63.200 -0.281 0.000 1.118 86 S HN 0.429 nan 8.310 nan 0.000 0.461 87 L N 2.390 123.727 121.223 0.189 0.000 2.627 87 L HA 0.541 4.881 4.340 -0.001 0.000 0.232 87 L C 0.667 177.712 176.870 0.291 0.000 1.150 87 L CA 0.820 55.809 54.840 0.248 0.000 0.917 87 L CB -0.468 41.653 42.059 0.104 0.000 1.104 87 L HN 0.705 nan 8.230 nan 0.000 0.445 88 E N -0.776 119.545 120.200 0.201 0.000 2.347 88 E HA 0.309 4.659 4.350 -0.001 0.000 0.285 88 E C -1.682 174.968 176.600 0.083 0.000 0.925 88 E CA -0.432 56.062 56.400 0.157 0.000 0.779 88 E CB 1.469 31.145 29.700 -0.040 0.000 1.233 88 E HN -0.139 nan 8.360 nan 0.000 0.414 89 F N 3.042 123.062 119.950 0.116 0.000 2.539 89 F HA 0.277 4.804 4.527 -0.000 0.000 0.328 89 F C -0.358 175.519 175.800 0.127 0.000 1.148 89 F CA -0.589 57.484 58.000 0.121 0.000 0.940 89 F CB 1.216 40.283 39.000 0.111 0.000 1.194 89 F HN 0.493 nan 8.300 nan 0.000 0.438 90 Y N 4.261 124.642 120.300 0.135 0.000 2.867 90 Y HA 0.216 4.765 4.550 -0.001 0.000 0.351 90 Y C 1.364 177.275 175.900 0.017 0.000 1.046 90 Y CA -0.743 57.383 58.100 0.044 0.000 1.520 90 Y CB -0.263 38.215 38.460 0.030 0.000 1.337 90 Y HN 0.677 nan 8.280 nan 0.000 0.525 91 M N 0.596 120.297 119.600 0.169 0.000 2.088 91 M HA -0.080 4.400 4.480 -0.001 0.000 0.256 91 M C 1.508 177.762 176.300 -0.078 0.000 1.071 91 M CA 1.958 57.277 55.300 0.030 0.000 1.097 91 M CB -0.909 31.684 32.600 -0.012 0.000 1.315 91 M HN 0.514 nan 8.290 nan 0.000 0.406 92 G N -0.184 108.550 108.800 -0.110 0.000 2.901 92 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.654 92 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.654 92 G C -0.753 174.063 174.900 -0.141 0.000 1.550 92 G CA -0.234 44.773 45.100 -0.154 0.000 0.978 92 G HN 0.628 nan 8.290 nan 0.000 0.566 93 R N 0.065 120.494 120.500 -0.119 0.000 3.651 93 R HA -0.009 4.330 4.340 -0.001 0.000 0.201 93 R C 1.537 177.749 176.300 -0.147 0.000 0.627 93 R CA 1.040 57.084 56.100 -0.093 0.000 0.952 93 R CB -0.197 30.044 30.300 -0.098 0.000 1.005 93 R HN 0.584 nan 8.270 nan 0.000 0.327 94 T N 3.078 117.517 114.554 -0.191 0.000 3.081 94 T HA 0.029 4.378 4.350 -0.001 0.000 0.250 94 T C 1.673 176.156 174.700 -0.363 0.000 1.100 94 T CA -0.030 61.802 62.100 -0.448 0.000 1.038 94 T CB 0.166 68.429 68.868 -1.008 0.000 0.962 94 T HN 0.415 nan 8.240 nan 0.000 0.516 95 L N 0.951 122.188 121.223 0.023 0.000 1.937 95 L HA -0.149 4.191 4.340 -0.001 0.000 0.213 95 L C 2.781 179.682 176.870 0.052 0.000 1.077 95 L CA 1.742 56.711 54.840 0.214 0.000 0.758 95 L CB -0.453 41.833 42.059 0.378 0.000 0.888 95 L HN 0.235 nan 8.230 nan 0.000 0.433 96 Q N -0.177 119.632 119.800 0.014 0.000 2.133 96 Q HA -0.311 4.028 4.340 -0.001 0.000 0.208 96 Q C 1.969 177.934 176.000 -0.060 0.000 0.991 96 Q CA 2.348 58.139 55.803 -0.021 0.000 0.867 96 Q CB -0.194 28.515 28.738 -0.048 0.000 0.911 96 Q HN 0.486 nan 8.270 nan 0.000 0.417 97 N N -1.351 117.282 118.700 -0.113 0.000 2.309 97 N HA -0.126 4.614 4.740 -0.001 0.000 0.182 97 N C 1.153 176.597 175.510 -0.110 0.000 1.018 97 N CA 1.517 54.492 53.050 -0.125 0.000 0.876 97 N CB 0.146 38.526 38.487 -0.178 0.000 0.972 97 N HN 0.238 nan 8.380 nan 0.000 0.434 98 T N 1.261 115.732 114.554 -0.139 0.000 2.812 98 T HA -0.030 4.319 4.350 -0.001 0.000 0.264 98 T C 2.073 176.758 174.700 -0.024 0.000 1.042 98 T CA 0.983 63.017 62.100 -0.109 0.000 1.140 98 T CB 0.001 68.778 68.868 -0.152 0.000 0.870 98 T HN 0.256 nan 8.240 nan 0.000 0.445 99 M N 1.470 121.072 119.600 0.004 0.000 2.059 99 M HA -0.068 4.412 4.480 -0.001 0.000 0.259 99 M C 2.729 179.014 176.300 -0.026 0.000 1.072 99 M CA 1.510 56.816 55.300 0.010 0.000 1.117 99 M CB -1.160 31.458 32.600 0.030 0.000 1.320 99 M HN 0.270 nan 8.290 nan 0.000 0.408 100 V N -1.185 118.716 119.914 -0.022 0.000 2.759 100 V HA -0.155 3.965 4.120 -0.001 0.000 0.256 100 V C 1.355 177.431 176.094 -0.029 0.000 1.080 100 V CA 2.102 64.395 62.300 -0.012 0.000 1.101 100 V CB -1.047 30.793 31.823 0.029 0.000 0.698 100 V HN 0.385 nan 8.190 nan 0.000 0.477 101 N N 0.055 118.738 118.700 -0.029 0.000 2.415 101 N HA 0.175 4.915 4.740 -0.001 0.000 0.176 101 N C 1.128 176.535 175.510 -0.171 0.000 1.042 101 N CA 0.702 53.706 53.050 -0.076 0.000 0.902 101 N CB -0.066 38.444 38.487 0.037 0.000 0.986 101 N HN 0.448 nan 8.380 nan 0.000 0.447 102 L N -0.266 120.893 121.223 -0.106 0.000 2.611 102 L HA 0.379 4.719 4.340 -0.001 0.000 0.229 102 L C 0.986 177.782 176.870 -0.123 0.000 1.137 102 L CA 0.131 54.914 54.840 -0.094 0.000 0.901 102 L CB -0.308 41.733 42.059 -0.031 0.000 1.098 102 L HN 0.192 nan 8.230 nan 0.000 0.456 103 A N -1.253 121.477 122.820 -0.150 0.000 4.109 103 A HA -0.310 4.010 4.320 -0.001 0.000 0.250 103 A C 1.367 178.896 177.584 -0.091 0.000 0.772 103 A CA 1.496 53.453 52.037 -0.135 0.000 1.320 103 A CB -2.053 16.867 19.000 -0.135 0.000 1.076 103 A HN 0.256 nan 8.150 nan 0.000 0.723 104 L N 0.643 121.816 121.223 -0.084 0.000 2.784 104 L HA -0.025 4.314 4.340 -0.001 0.000 0.247 104 L C 1.928 178.782 176.870 -0.027 0.000 1.162 104 L CA 1.508 56.308 54.840 -0.067 0.000 0.881 104 L CB -0.329 41.683 42.059 -0.078 0.000 1.032 104 L HN 0.641 nan 8.230 nan 0.000 0.446 105 E N -0.179 120.009 120.200 -0.021 0.000 2.112 105 E HA -0.166 4.184 4.350 -0.001 0.000 0.190 105 E C 1.586 178.184 176.600 -0.004 0.000 0.979 105 E CA 0.695 57.093 56.400 -0.004 0.000 0.814 105 E CB 0.261 29.957 29.700 -0.006 0.000 0.762 105 E HN 0.551 nan 8.360 nan 0.000 0.460 106 N N 1.024 119.716 118.700 -0.013 0.000 2.039 106 N HA -0.159 4.580 4.740 -0.001 0.000 0.193 106 N C 1.707 177.215 175.510 -0.003 0.000 1.044 106 N CA 1.577 54.621 53.050 -0.011 0.000 0.847 106 N CB -0.702 37.775 38.487 -0.016 0.000 1.030 106 N HN 0.172 nan 8.380 nan 0.000 0.422 107 A N 0.669 123.484 122.820 -0.008 0.000 1.873 107 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 107 A C 2.560 180.154 177.584 0.017 0.000 1.193 107 A CA 1.778 53.816 52.037 0.002 0.000 0.629 107 A CB -1.281 17.712 19.000 -0.011 0.000 0.826 107 A HN 0.499 nan 8.150 nan 0.000 0.447 108 C N -0.728 118.585 119.300 0.022 0.000 2.410 108 C HA -0.087 4.373 4.460 -0.001 0.000 0.281 108 C C 2.405 177.410 174.990 0.025 0.000 1.318 108 C CA 1.229 60.270 59.018 0.039 0.000 1.776 108 C CB -1.249 26.528 27.740 0.061 0.000 1.942 108 C HN 0.718 nan 8.230 nan 0.000 0.508 109 D N 0.358 120.770 120.400 0.020 0.000 2.162 109 D HA -0.080 4.560 4.640 -0.001 0.000 0.203 109 D C 2.244 178.575 176.300 0.051 0.000 0.967 109 D CA 1.080 55.090 54.000 0.016 0.000 0.840 109 D CB -0.180 40.615 40.800 -0.009 0.000 0.972 109 D HN 0.255 nan 8.370 nan 0.000 0.482 110 E N 0.442 120.677 120.200 0.058 0.000 2.028 110 E HA -0.010 4.340 4.350 -0.001 0.000 0.190 110 E C 1.999 178.665 176.600 0.110 0.000 0.984 110 E CA 1.146 57.624 56.400 0.130 0.000 0.800 110 E CB -0.722 29.026 29.700 0.081 0.000 0.758 110 E HN 0.236 nan 8.360 nan 0.000 0.448 111 A N 0.406 123.242 122.820 0.027 0.000 1.859 111 A HA -0.249 4.071 4.320 -0.001 0.000 0.217 111 A C 2.456 179.966 177.584 -0.122 0.000 1.198 111 A CA 3.434 55.448 52.037 -0.039 0.000 0.629 111 A CB -1.482 17.502 19.000 -0.026 0.000 0.830 111 A HN 0.468 nan 8.150 nan 0.000 0.446 112 T N -3.671 110.804 114.554 -0.132 0.000 2.929 112 T HA -0.211 4.139 4.350 -0.001 0.000 0.271 112 T C 1.716 176.339 174.700 -0.128 0.000 1.085 112 T CA 1.636 63.594 62.100 -0.236 0.000 1.125 112 T CB -0.470 68.294 68.868 -0.174 0.000 0.874 112 T HN 0.562 nan 8.240 nan 0.000 0.494 113 Y N 1.838 122.051 120.300 -0.145 0.000 2.184 113 Y HA 0.077 4.627 4.550 -0.001 0.000 0.290 113 Y C 2.502 178.336 175.900 -0.111 0.000 1.129 113 Y CA 1.001 59.034 58.100 -0.111 0.000 1.144 113 Y CB -0.710 37.705 38.460 -0.075 0.000 0.995 113 Y HN 0.228 nan 8.280 nan 0.000 0.513 114 Q N 0.411 119.955 119.800 -0.427 0.000 2.002 114 Q HA -0.198 4.142 4.340 -0.001 0.000 0.204 114 Q C 2.111 177.916 176.000 -0.326 0.000 0.988 114 Q CA 2.223 57.743 55.803 -0.473 0.000 0.843 114 Q CB -0.508 28.067 28.738 -0.270 0.000 0.908 114 Q HN 0.500 nan 8.270 nan 0.000 0.420 115 L N 0.338 121.400 121.223 -0.269 0.000 2.740 115 L HA -0.083 4.257 4.340 -0.001 0.000 0.242 115 L C 1.053 177.763 176.870 -0.267 0.000 1.175 115 L CA 0.539 55.215 54.840 -0.273 0.000 0.859 115 L CB -1.081 40.737 42.059 -0.401 0.000 0.992 115 L HN 0.532 nan 8.230 nan 0.000 0.454 116 G N 0.507 109.168 108.800 -0.232 0.000 2.198 116 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.260 116 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.260 116 G C -0.011 174.793 174.900 -0.159 0.000 1.025 116 G CA 0.054 45.054 45.100 -0.167 0.000 0.769 116 G HN 0.316 nan 8.290 nan 0.000 0.507 117 L N -0.081 121.031 121.223 -0.185 0.000 2.346 117 L HA 0.527 4.867 4.340 -0.001 0.000 0.274 117 L C -0.531 176.291 176.870 -0.080 0.000 1.007 117 L CA -1.094 53.631 54.840 -0.191 0.000 0.818 117 L CB 1.886 43.746 42.059 -0.332 0.000 1.284 117 L HN 0.130 nan 8.230 nan 0.000 0.424 118 D N 3.057 123.435 120.400 -0.037 0.000 2.396 118 D HA 0.145 4.785 4.640 -0.001 0.000 0.225 118 D C 0.727 177.028 176.300 0.002 0.000 1.121 118 D CA -0.269 53.729 54.000 -0.005 0.000 0.853 118 D CB 1.392 42.192 40.800 0.001 0.000 1.043 118 D HN 0.503 nan 8.370 nan 0.000 0.500 119 M N 2.988 122.591 119.600 0.005 0.000 2.267 119 M HA -0.156 4.323 4.480 -0.001 0.000 0.263 119 M C 1.202 177.519 176.300 0.028 0.000 1.063 119 M CA 1.484 56.799 55.300 0.025 0.000 1.090 119 M CB 0.222 32.838 32.600 0.027 0.000 1.392 119 M HN 0.450 nan 8.290 nan 0.000 0.422 120 E N 0.000 120.205 120.200 0.008 0.000 2.047 120 E HA -0.208 4.141 4.350 -0.001 0.000 0.191 120 E C 1.841 178.442 176.600 0.001 0.000 0.987 120 E CA 1.359 57.760 56.400 0.000 0.000 0.799 120 E CB -0.161 29.533 29.700 -0.010 0.000 0.752 120 E HN 0.595 nan 8.360 nan 0.000 0.449 121 E N 0.553 120.756 120.200 0.005 0.000 2.171 121 E HA -0.216 4.134 4.350 -0.001 0.000 0.197 121 E C 2.219 178.827 176.600 0.015 0.000 0.997 121 E CA 0.878 57.282 56.400 0.007 0.000 0.810 121 E CB -0.105 29.605 29.700 0.016 0.000 0.738 121 E HN 0.311 nan 8.360 nan 0.000 0.467 122 L N 0.650 121.901 121.223 0.046 0.000 2.072 122 L HA -0.140 4.200 4.340 -0.001 0.000 0.205 122 L C 2.264 179.153 176.870 0.033 0.000 1.079 122 L CA 1.007 55.902 54.840 0.091 0.000 0.752 122 L CB -0.521 41.647 42.059 0.182 0.000 0.906 122 L HN 0.059 nan 8.230 nan 0.000 0.436 123 E N 0.146 120.361 120.200 0.026 0.000 2.204 123 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 123 E C 1.445 177.972 176.600 -0.122 0.000 0.990 123 E CA 0.696 57.083 56.400 -0.020 0.000 0.821 123 E CB -0.116 29.583 29.700 -0.001 0.000 0.750 123 E HN 0.437 nan 8.360 nan 0.000 0.477 124 E N 0.633 120.773 120.200 -0.099 0.000 2.512 124 E HA -0.046 4.303 4.350 -0.001 0.000 0.195 124 E C 1.439 177.952 176.600 -0.144 0.000 1.083 124 E CA 0.263 56.599 56.400 -0.107 0.000 0.873 124 E CB 0.257 29.922 29.700 -0.059 0.000 0.897 124 E HN 0.380 nan 8.360 nan 0.000 0.514 125 I N -0.392 120.027 120.570 -0.251 0.000 3.728 125 I HA 0.102 4.272 4.170 -0.001 0.000 0.307 125 I C 0.943 176.774 176.117 -0.478 0.000 1.276 125 I CA 0.116 61.233 61.300 -0.304 0.000 1.285 125 I CB -0.573 37.243 38.000 -0.306 0.000 1.038 125 I HN -0.033 nan 8.210 nan 0.000 0.445 126 E N 2.946 122.815 120.200 -0.553 0.000 2.289 126 E HA 0.089 4.438 4.350 -0.001 0.000 0.278 126 E C -0.268 176.252 176.600 -0.132 0.000 1.032 126 E CA -0.392 55.749 56.400 -0.431 0.000 0.854 126 E CB 1.011 30.474 29.700 -0.395 0.000 1.046 126 E HN 0.082 nan 8.360 nan 0.000 0.409 127 E N 3.245 123.445 120.200 0.000 0.000 2.316 127 E HA 0.075 4.425 4.350 -0.001 0.000 0.275 127 E C -0.964 175.682 176.600 0.077 0.000 1.029 127 E CA -0.180 56.284 56.400 0.108 0.000 0.871 127 E CB 0.721 30.593 29.700 0.286 0.000 1.022 127 E HN 0.452 nan 8.360 nan 0.000 0.418 128 D N 1.368 121.770 120.400 0.004 0.000 2.363 128 D HA 0.159 4.798 4.640 -0.001 0.000 0.263 128 D C -0.117 176.063 176.300 -0.200 0.000 1.258 128 D CA 0.109 54.060 54.000 -0.082 0.000 0.907 128 D CB 0.382 41.123 40.800 -0.098 0.000 1.107 128 D HN 0.407 nan 8.370 nan 0.000 0.495 129 A N 3.344 125.989 122.820 -0.292 0.000 2.540 129 A HA 0.251 4.570 4.320 -0.001 0.000 0.268 129 A C 1.313 178.370 177.584 -0.879 0.000 1.061 129 A CA 0.220 51.772 52.037 -0.808 0.000 0.821 129 A CB -0.186 18.545 19.000 -0.449 0.000 0.970 129 A HN 0.635 nan 8.150 nan 0.000 0.524 130 G N 2.474 110.286 108.800 -1.647 0.000 3.316 130 G HA2 0.430 4.390 3.960 -0.001 0.000 0.255 130 G HA3 0.430 4.390 3.960 -0.001 0.000 0.255 130 G C 0.304 174.984 174.900 -0.366 0.000 0.880 130 G CA -0.252 44.347 45.100 -0.835 0.000 1.956 130 G HN 0.620 nan 8.290 nan 0.000 0.634 131 L N 0.539 121.674 121.223 -0.147 0.000 3.069 131 L HA 0.348 4.688 4.340 -0.001 0.000 0.271 131 L C 1.021 177.985 176.870 0.157 0.000 1.201 131 L CA 0.000 54.973 54.840 0.221 0.000 1.015 131 L CB -0.256 41.942 42.059 0.231 0.000 1.371 131 L HN 0.304 nan 8.230 nan 0.000 0.574 132 G N 0.031 108.764 108.800 -0.113 0.000 2.818 132 G HA2 0.450 4.409 3.960 -0.001 0.000 0.286 132 G HA3 0.450 4.409 3.960 -0.001 0.000 0.286 132 G C 0.025 174.434 174.900 -0.817 0.000 1.364 132 G CA 0.062 44.870 45.100 -0.488 0.000 0.938 132 G HN 0.072 nan 8.290 nan 0.000 0.490 133 N N -2.647 115.377 118.700 -1.126 0.000 2.065 133 N HA 0.248 4.988 4.740 -0.001 0.000 0.266 133 N C 0.695 175.881 175.510 -0.539 0.000 1.109 133 N CA 1.264 53.905 53.050 -0.680 0.000 0.763 133 N CB 0.411 38.709 38.487 -0.316 0.000 1.660 133 N HN 0.944 nan 8.380 nan 0.000 0.603 134 G N -1.145 107.399 108.800 -0.427 0.000 3.003 134 G HA2 0.416 4.376 3.960 -0.001 0.000 0.243 134 G HA3 0.416 4.376 3.960 -0.001 0.000 0.243 134 G C 0.665 175.655 174.900 0.150 0.000 1.176 134 G CA -0.037 45.083 45.100 0.034 0.000 0.812 134 G HN 0.223 nan 8.290 nan 0.000 0.584 135 G N 0.026 108.891 108.800 0.107 0.000 2.553 135 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.218 135 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.218 135 G C 1.751 176.667 174.900 0.028 0.000 1.195 135 G CA 1.593 46.740 45.100 0.078 0.000 0.779 135 G HN 0.590 nan 8.290 nan 0.000 0.577 136 L N 2.026 123.214 121.223 -0.059 0.000 2.129 136 L HA -0.006 4.334 4.340 -0.001 0.000 0.212 136 L C 2.655 179.459 176.870 -0.110 0.000 1.087 136 L CA 2.505 57.253 54.840 -0.153 0.000 0.757 136 L CB -1.374 40.553 42.059 -0.219 0.000 0.896 136 L HN 0.242 nan 8.230 nan 0.000 0.434 137 G N -0.838 107.925 108.800 -0.062 0.000 2.404 137 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.214 137 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.214 137 G C 1.731 176.702 174.900 0.118 0.000 1.189 137 G CA 0.672 45.757 45.100 -0.024 0.000 0.789 137 G HN 0.372 nan 8.290 nan 0.000 0.533 138 R N -0.189 120.479 120.500 0.279 0.000 2.117 138 R HA -0.043 4.297 4.340 -0.001 0.000 0.243 138 R C 2.358 178.720 176.300 0.103 0.000 1.143 138 R CA 1.270 57.515 56.100 0.242 0.000 0.968 138 R CB -0.714 29.717 30.300 0.220 0.000 0.863 138 R HN 0.341 nan 8.270 nan 0.000 0.444 139 L N -0.035 121.188 121.223 0.000 0.000 2.017 139 L HA 0.033 4.373 4.340 -0.001 0.000 0.208 139 L C 2.144 178.809 176.870 -0.341 0.000 1.073 139 L CA 2.281 57.028 54.840 -0.156 0.000 0.745 139 L CB -1.026 40.915 42.059 -0.197 0.000 0.894 139 L HN 0.273 nan 8.230 nan 0.000 0.432 140 A N -0.686 121.964 122.820 -0.282 0.000 1.930 140 A HA -0.050 4.270 4.320 -0.001 0.000 0.217 140 A C 2.440 179.992 177.584 -0.053 0.000 1.175 140 A CA 1.640 53.495 52.037 -0.304 0.000 0.627 140 A CB -1.106 17.696 19.000 -0.330 0.000 0.815 140 A HN 0.572 nan 8.150 nan 0.000 0.443 141 A N -0.520 122.340 122.820 0.067 0.000 1.859 141 A HA -0.272 4.047 4.320 -0.001 0.000 0.217 141 A C 2.341 180.013 177.584 0.145 0.000 1.198 141 A CA 1.934 54.076 52.037 0.174 0.000 0.629 141 A CB -1.492 17.617 19.000 0.181 0.000 0.830 141 A HN 0.621 nan 8.150 nan 0.000 0.446 142 C N -1.682 117.712 119.300 0.158 0.000 2.413 142 C HA -0.085 4.375 4.460 -0.001 0.000 0.276 142 C C 2.446 177.617 174.990 0.302 0.000 1.248 142 C CA 0.734 59.890 59.018 0.231 0.000 1.742 142 C CB -1.698 26.225 27.740 0.305 0.000 2.017 142 C HN 0.598 nan 8.230 nan 0.000 0.481 143 F N 0.931 120.856 119.950 -0.042 0.000 2.293 143 F HA -0.002 4.525 4.527 -0.001 0.000 0.300 143 F C 2.184 177.937 175.800 -0.078 0.000 1.086 143 F CA 0.680 58.612 58.000 -0.112 0.000 1.375 143 F CB -1.266 37.524 39.000 -0.351 0.000 1.045 143 F HN 0.214 nan 8.300 nan 0.000 0.516 144 L N -0.618 120.697 121.223 0.153 0.000 2.083 144 L HA -0.214 4.126 4.340 -0.001 0.000 0.209 144 L C 2.417 179.339 176.870 0.088 0.000 1.083 144 L CA 1.479 56.390 54.840 0.118 0.000 0.752 144 L CB -0.553 41.600 42.059 0.157 0.000 0.899 144 L HN 0.105 nan 8.230 nan 0.000 0.433 145 D N -0.003 120.451 120.400 0.090 0.000 2.081 145 D HA -0.163 4.476 4.640 -0.001 0.000 0.194 145 D C 2.127 178.463 176.300 0.060 0.000 0.986 145 D CA 1.785 55.823 54.000 0.064 0.000 0.837 145 D CB 0.223 41.055 40.800 0.052 0.000 0.985 145 D HN 0.132 nan 8.370 nan 0.000 0.448 146 S N 0.097 115.836 115.700 0.064 0.000 2.387 146 S HA -0.178 4.291 4.470 -0.001 0.000 0.230 146 S C 2.117 176.736 174.600 0.031 0.000 1.035 146 S CA 1.006 59.228 58.200 0.036 0.000 1.014 146 S CB -0.243 62.968 63.200 0.018 0.000 0.836 146 S HN 0.326 nan 8.310 nan 0.000 0.466 147 M N 0.778 120.401 119.600 0.037 0.000 2.108 147 M HA -0.162 4.318 4.480 -0.001 0.000 0.261 147 M C 2.317 178.637 176.300 0.033 0.000 1.066 147 M CA 1.668 56.990 55.300 0.036 0.000 1.107 147 M CB -0.346 32.266 32.600 0.020 0.000 1.356 147 M HN 0.437 nan 8.290 nan 0.000 0.406 148 A N -1.014 121.832 122.820 0.042 0.000 1.878 148 A HA -0.089 4.231 4.320 -0.001 0.000 0.213 148 A C 2.030 179.654 177.584 0.067 0.000 1.192 148 A CA 1.746 53.816 52.037 0.055 0.000 0.619 148 A CB -1.083 17.952 19.000 0.059 0.000 0.837 148 A HN 0.426 nan 8.150 nan 0.000 0.446 149 T N 0.725 115.321 114.554 0.069 0.000 2.760 149 T HA -0.146 4.204 4.350 -0.001 0.000 0.269 149 T C 1.217 175.956 174.700 0.065 0.000 1.047 149 T CA 1.577 63.725 62.100 0.080 0.000 1.139 149 T CB -0.370 68.540 68.868 0.070 0.000 0.855 149 T HN 0.361 nan 8.240 nan 0.000 0.471 150 L N 0.185 121.440 121.223 0.053 0.000 2.741 150 L HA 0.351 4.690 4.340 -0.001 0.000 0.237 150 L C 1.592 178.494 176.870 0.053 0.000 1.178 150 L CA -0.119 54.749 54.840 0.048 0.000 0.973 150 L CB -0.334 41.748 42.059 0.038 0.000 1.255 150 L HN 0.375 nan 8.230 nan 0.000 0.498 151 G N 1.315 110.154 108.800 0.065 0.000 2.283 151 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.280 151 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.280 151 G C 0.141 175.066 174.900 0.041 0.000 1.029 151 G CA 0.133 45.287 45.100 0.089 0.000 0.840 151 G HN 0.308 nan 8.290 nan 0.000 0.505 152 L N -0.072 121.144 121.223 -0.012 0.000 2.349 152 L HA 0.538 4.878 4.340 -0.001 0.000 0.275 152 L C 1.427 178.102 176.870 -0.325 0.000 1.115 152 L CA -0.256 54.513 54.840 -0.119 0.000 0.820 152 L CB 1.347 43.381 42.059 -0.042 0.000 1.135 152 L HN 0.281 nan 8.230 nan 0.000 0.445 153 A N 3.480 125.935 122.820 -0.608 0.000 3.076 153 A HA 0.443 4.762 4.320 -0.001 0.000 0.269 153 A C 0.432 177.554 177.584 -0.769 0.000 1.916 153 A CA 0.130 51.517 52.037 -1.083 0.000 1.492 153 A CB -0.903 17.488 19.000 -1.015 0.000 1.000 153 A HN 0.689 nan 8.150 nan 0.000 0.615 154 A N 1.180 123.604 122.820 -0.660 0.000 2.355 154 A HA 0.840 5.160 4.320 -0.001 0.000 0.324 154 A C -0.928 176.252 177.584 -0.673 0.000 1.117 154 A CA -0.495 51.187 52.037 -0.592 0.000 0.785 154 A CB 0.907 19.722 19.000 -0.308 0.000 1.254 154 A HN 0.574 nan 8.150 nan 0.000 0.453 155 Y N -0.278 119.945 120.300 -0.128 0.000 2.545 155 Y HA 0.602 5.152 4.550 -0.001 0.000 0.348 155 Y C 0.707 176.734 175.900 0.212 0.000 1.002 155 Y CA -0.652 57.465 58.100 0.028 0.000 1.039 155 Y CB 2.401 40.903 38.460 0.069 0.000 1.271 155 Y HN 0.838 nan 8.280 nan 0.000 0.467 156 G N 1.009 110.009 108.800 0.333 0.000 2.368 156 G HA2 0.509 4.468 3.960 -0.001 0.000 0.320 156 G HA3 0.509 4.468 3.960 -0.001 0.000 0.320 156 G C -2.046 172.983 174.900 0.215 0.000 1.158 156 G CA -0.399 44.992 45.100 0.485 0.000 0.912 156 G HN 0.502 nan 8.290 nan 0.000 0.456 157 Y N 1.342 121.866 120.300 0.374 0.000 2.326 157 Y HA 0.616 5.166 4.550 -0.001 0.000 0.329 157 Y C 0.695 176.746 175.900 0.252 0.000 0.973 157 Y CA 0.038 58.249 58.100 0.185 0.000 1.162 157 Y CB 2.524 41.140 38.460 0.260 0.000 1.147 157 Y HN 0.865 nan 8.280 nan 0.000 0.456 158 G N 2.673 111.605 108.800 0.221 0.000 2.749 158 G HA2 0.599 4.558 3.960 -0.001 0.000 0.300 158 G HA3 0.599 4.558 3.960 -0.001 0.000 0.300 158 G C -1.627 173.355 174.900 0.136 0.000 1.352 158 G CA -0.832 44.450 45.100 0.303 0.000 0.789 158 G HN 0.451 nan 8.290 nan 0.000 0.509 159 I N 0.070 120.679 120.570 0.065 0.000 2.664 159 I HA 0.513 4.683 4.170 -0.001 0.000 0.308 159 I C 0.476 176.341 176.117 -0.419 0.000 0.984 159 I CA -0.790 60.446 61.300 -0.106 0.000 1.213 159 I CB 1.843 39.722 38.000 -0.201 0.000 1.379 159 I HN 0.344 nan 8.210 nan 0.000 0.501 160 R N 3.598 123.887 120.500 -0.352 0.000 2.445 160 R HA 0.401 4.741 4.340 -0.001 0.000 0.308 160 R C -1.931 174.180 176.300 -0.315 0.000 0.961 160 R CA -0.511 55.432 56.100 -0.263 0.000 0.862 160 R CB 0.954 31.112 30.300 -0.236 0.000 1.144 160 R HN 0.412 nan 8.270 nan 0.000 0.447 161 Y N 2.823 123.259 120.300 0.227 0.000 2.356 161 Y HA 0.186 4.736 4.550 -0.000 0.000 0.334 161 Y C 0.895 176.955 175.900 0.267 0.000 0.958 161 Y CA -0.748 57.489 58.100 0.228 0.000 1.196 161 Y CB 1.853 40.443 38.460 0.218 0.000 1.137 161 Y HN 0.704 nan 8.280 nan 0.000 0.485 162 E N 2.070 122.372 120.200 0.170 0.000 2.085 162 E HA -0.182 4.167 4.350 -0.001 0.000 0.194 162 E C 0.334 176.707 176.600 -0.379 0.000 0.994 162 E CA 1.527 57.765 56.400 -0.269 0.000 0.801 162 E CB -0.037 29.349 29.700 -0.524 0.000 0.743 162 E HN 0.568 nan 8.360 nan 0.000 0.453 163 F N -0.339 119.768 119.950 0.260 0.000 2.639 163 F HA 0.283 4.810 4.527 -0.001 0.000 0.300 163 F C 1.537 177.489 175.800 0.254 0.000 1.109 163 F CA 0.298 58.438 58.000 0.233 0.000 1.335 163 F CB 0.469 39.541 39.000 0.120 0.000 1.014 163 F HN 0.058 nan 8.300 nan 0.000 0.537 164 G N 1.366 110.446 108.800 0.466 0.000 2.815 164 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.326 164 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.326 164 G C 0.040 174.975 174.900 0.058 0.000 1.191 164 G CA 0.620 45.854 45.100 0.223 0.000 0.965 164 G HN 0.305 nan 8.290 nan 0.000 0.564 165 I N -0.458 120.145 120.570 0.054 0.000 2.951 165 I HA 0.440 4.609 4.170 -0.001 0.000 0.304 165 I C -0.367 175.802 176.117 0.086 0.000 1.550 165 I CA -0.638 60.671 61.300 0.014 0.000 0.947 165 I CB 1.336 39.261 38.000 -0.126 0.000 1.351 165 I HN 0.864 nan 8.210 nan 0.000 0.548 166 F N 3.467 123.435 119.950 0.029 0.000 2.545 166 F HA 0.293 4.819 4.527 -0.001 0.000 0.348 166 F C 0.170 176.020 175.800 0.084 0.000 1.163 166 F CA -0.144 57.893 58.000 0.062 0.000 1.331 166 F CB -0.014 39.012 39.000 0.044 0.000 1.138 166 F HN 0.325 nan 8.300 nan 0.000 0.602 167 N N 2.699 121.532 118.700 0.223 0.000 2.426 167 N HA 0.069 4.809 4.740 -0.001 0.000 0.257 167 N C -1.184 174.479 175.510 0.255 0.000 1.002 167 N CA -0.399 52.744 53.050 0.154 0.000 0.942 167 N CB 1.135 39.724 38.487 0.170 0.000 1.112 167 N HN 0.797 nan 8.380 nan 0.000 0.499 168 Q N 2.683 122.604 119.800 0.201 0.000 2.286 168 Q HA 0.155 4.494 4.340 -0.001 0.000 0.257 168 Q C -0.992 175.124 176.000 0.193 0.000 0.941 168 Q CA -0.230 55.743 55.803 0.283 0.000 0.912 168 Q CB 0.822 29.710 28.738 0.249 0.000 1.192 168 Q HN 0.283 nan 8.270 nan 0.000 0.410 169 K N 3.990 124.497 120.400 0.178 0.000 2.270 169 K HA 0.389 4.708 4.320 -0.001 0.000 0.255 169 K C -1.273 175.397 176.600 0.117 0.000 0.936 169 K CA -0.578 55.782 56.287 0.120 0.000 0.809 169 K CB 1.071 33.635 32.500 0.106 0.000 1.131 169 K HN 0.549 nan 8.250 nan 0.000 0.427 170 I N 4.867 125.490 120.570 0.089 0.000 2.306 170 I HA 0.233 4.402 4.170 -0.001 0.000 0.288 170 I C -0.781 175.382 176.117 0.076 0.000 1.036 170 I CA -0.683 60.673 61.300 0.093 0.000 1.221 170 I CB 0.342 38.397 38.000 0.091 0.000 1.385 170 I HN 0.569 nan 8.210 nan 0.000 0.472 171 C N 4.110 123.471 119.300 0.102 0.000 2.293 171 C HA 0.665 5.124 4.460 -0.001 0.000 0.323 171 C C 1.159 176.229 174.990 0.134 0.000 1.240 171 C CA -0.386 58.688 59.018 0.094 0.000 1.497 171 C CB 0.384 28.175 27.740 0.085 0.000 2.171 171 C HN 1.063 nan 8.230 nan 0.000 0.465 172 G N 2.009 110.856 108.800 0.078 0.000 2.141 172 G HA2 0.154 4.114 3.960 -0.001 0.000 0.242 172 G HA3 0.154 4.114 3.960 -0.001 0.000 0.242 172 G C 0.877 175.698 174.900 -0.132 0.000 0.982 172 G CA 0.436 45.566 45.100 0.050 0.000 0.662 172 G HN 2.311 nan 8.290 nan 0.000 0.527 173 G N -1.845 106.894 108.800 -0.101 0.000 2.160 173 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.251 173 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.251 173 G C 0.264 175.025 174.900 -0.232 0.000 1.008 173 G CA 0.728 45.698 45.100 -0.216 0.000 0.724 173 G HN 1.256 nan 8.290 nan 0.000 0.514 174 W N -0.270 120.989 121.300 -0.068 0.000 2.632 174 W HA 0.586 5.246 4.660 -0.001 0.000 0.328 174 W C 0.483 176.975 176.519 -0.047 0.000 1.044 174 W CA -1.216 56.087 57.345 -0.070 0.000 1.225 174 W CB 1.251 30.678 29.460 -0.055 0.000 1.396 174 W HN 0.200 nan 8.180 nan 0.000 0.499 175 Q N 4.507 124.437 119.800 0.217 0.000 2.296 175 Q HA 0.308 4.647 4.340 -0.001 0.000 0.262 175 Q C -0.594 175.456 176.000 0.083 0.000 0.981 175 Q CA 0.294 56.179 55.803 0.136 0.000 0.905 175 Q CB 0.571 29.384 28.738 0.125 0.000 1.186 175 Q HN 0.472 nan 8.270 nan 0.000 0.399 176 M N 3.762 123.413 119.600 0.085 0.000 2.395 176 M HA 0.371 4.850 4.480 -0.001 0.000 0.307 176 M C -0.936 175.406 176.300 0.070 0.000 1.091 176 M CA -1.024 54.295 55.300 0.031 0.000 0.919 176 M CB 2.036 34.657 32.600 0.035 0.000 1.662 176 M HN 0.542 nan 8.290 nan 0.000 0.440 177 E N 2.035 122.231 120.200 -0.006 0.000 2.200 177 E HA 0.443 4.793 4.350 -0.001 0.000 0.283 177 E C -1.043 175.618 176.600 0.101 0.000 1.015 177 E CA -0.305 56.139 56.400 0.074 0.000 0.819 177 E CB 1.288 30.766 29.700 -0.369 0.000 1.081 177 E HN 0.596 nan 8.360 nan 0.000 0.397 178 E N 0.926 121.231 120.200 0.175 0.000 2.250 178 E HA 0.543 4.893 4.350 -0.001 0.000 0.269 178 E C -0.535 176.170 176.600 0.174 0.000 1.018 178 E CA -0.908 55.575 56.400 0.138 0.000 0.873 178 E CB 1.422 31.204 29.700 0.137 0.000 1.134 178 E HN 0.667 nan 8.360 nan 0.000 0.403 179 A N 1.392 124.298 122.820 0.144 0.000 2.340 179 A HA 0.159 4.478 4.320 -0.001 0.000 0.268 179 A C -0.478 177.263 177.584 0.262 0.000 1.100 179 A CA -0.354 51.793 52.037 0.183 0.000 0.803 179 A CB 0.473 19.537 19.000 0.106 0.000 1.043 179 A HN 0.567 nan 8.150 nan 0.000 0.488 180 D N 1.552 122.148 120.400 0.326 0.000 2.479 180 D HA 0.245 4.885 4.640 -0.001 0.000 0.218 180 D C -0.886 175.663 176.300 0.414 0.000 1.131 180 D CA -0.406 53.787 54.000 0.322 0.000 0.916 180 D CB 0.401 41.359 40.800 0.264 0.000 1.022 180 D HN 0.414 nan 8.370 nan 0.000 0.515 181 D N 4.272 124.872 120.400 0.333 0.000 2.631 181 D HA -0.028 4.612 4.640 -0.001 0.000 0.227 181 D C 1.668 177.980 176.300 0.020 0.000 1.146 181 D CA -0.756 53.278 54.000 0.058 0.000 1.009 181 D CB -0.468 40.312 40.800 -0.032 0.000 1.057 181 D HN 0.537 nan 8.370 nan 0.000 0.509 182 W N 0.874 122.168 121.300 -0.009 0.000 2.313 182 W HA -0.193 4.466 4.660 -0.001 0.000 0.293 182 W C 0.436 176.970 176.519 0.026 0.000 1.216 182 W CA 0.147 57.513 57.345 0.034 0.000 1.223 182 W CB -1.028 28.464 29.460 0.053 0.000 1.138 182 W HN 0.169 nan 8.180 nan 0.000 0.535 183 L N 1.235 122.000 121.223 -0.762 0.000 2.599 183 L HA 0.070 4.410 4.340 -0.001 0.000 0.230 183 L C 2.864 179.516 176.870 -0.363 0.000 1.141 183 L CA 0.364 54.794 54.840 -0.683 0.000 0.877 183 L CB -0.755 40.720 42.059 -0.973 0.000 1.009 183 L HN -0.036 nan 8.230 nan 0.000 0.447 184 R N 0.387 120.698 120.500 -0.315 0.000 2.154 184 R HA -0.237 4.103 4.340 -0.001 0.000 0.248 184 R C 0.874 176.922 176.300 -0.420 0.000 1.155 184 R CA 1.933 57.796 56.100 -0.396 0.000 0.979 184 R CB -0.079 29.915 30.300 -0.511 0.000 0.869 184 R HN 0.344 nan 8.270 nan 0.000 0.452 185 Y N -0.923 119.383 120.300 0.011 0.000 2.612 185 Y HA 0.397 4.946 4.550 -0.001 0.000 0.250 185 Y C 0.501 176.373 175.900 -0.046 0.000 1.175 185 Y CA 0.355 58.478 58.100 0.039 0.000 1.205 185 Y CB 1.447 40.023 38.460 0.192 0.000 1.201 185 Y HN 0.343 nan 8.280 nan 0.000 0.532 186 G N 1.309 110.126 108.800 0.028 0.000 2.539 186 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.686 186 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.686 186 G C -1.538 173.368 174.900 0.010 0.000 1.258 186 G CA -1.098 43.956 45.100 -0.075 0.000 0.846 186 G HN 0.224 nan 8.290 nan 0.000 0.647 187 N N 1.446 120.131 118.700 -0.025 0.000 2.483 187 N HA 0.640 5.380 4.740 -0.001 0.000 0.267 187 N C -0.612 174.904 175.510 0.009 0.000 0.998 187 N CA -1.958 51.153 53.050 0.102 0.000 0.918 187 N CB 2.273 40.819 38.487 0.097 0.000 1.215 187 N HN 0.202 nan 8.380 nan 0.000 0.500 188 P HA -0.050 nan 4.420 nan 0.000 0.225 188 P C 0.269 177.191 177.300 -0.630 0.000 1.148 188 P CA 1.104 63.894 63.100 -0.516 0.000 0.779 188 P CB 0.092 31.339 31.700 -0.756 0.000 0.780 189 W N 1.224 122.492 121.300 -0.054 0.000 2.762 189 W HA 0.107 4.766 4.660 -0.001 0.000 0.265 189 W C 1.286 177.767 176.519 -0.064 0.000 1.263 189 W CA -0.389 56.916 57.345 -0.067 0.000 1.411 189 W CB -0.169 29.286 29.460 -0.010 0.000 1.065 189 W HN -0.066 nan 8.180 nan 0.000 0.609 190 E N 1.886 122.185 120.200 0.166 0.000 2.374 190 E HA 0.238 4.588 4.350 -0.001 0.000 0.260 190 E C -0.189 176.416 176.600 0.008 0.000 1.101 190 E CA -0.268 56.200 56.400 0.114 0.000 0.907 190 E CB 0.998 30.845 29.700 0.244 0.000 1.014 190 E HN -0.302 nan 8.360 nan 0.000 0.427 191 K N 0.921 121.285 120.400 -0.059 0.000 2.463 191 K HA 0.402 4.722 4.320 -0.001 0.000 0.255 191 K C -1.055 175.402 176.600 -0.239 0.000 0.942 191 K CA -0.671 55.534 56.287 -0.136 0.000 0.814 191 K CB 1.901 34.297 32.500 -0.174 0.000 1.122 191 K HN 0.691 nan 8.250 nan 0.000 0.425 192 A N 3.550 126.131 122.820 -0.398 0.000 2.332 192 A HA 0.458 4.777 4.320 -0.001 0.000 0.258 192 A C -0.158 177.214 177.584 -0.353 0.000 1.087 192 A CA -0.289 51.286 52.037 -0.770 0.000 0.802 192 A CB 0.393 18.909 19.000 -0.806 0.000 1.042 192 A HN 0.595 nan 8.150 nan 0.000 0.489 193 R N 1.910 122.250 120.500 -0.266 0.000 2.564 193 R HA 0.239 4.579 4.340 -0.001 0.000 0.282 193 R C -2.575 173.758 176.300 0.056 0.000 1.573 193 R CA -1.745 54.373 56.100 0.031 0.000 1.588 193 R CB 0.908 31.379 30.300 0.284 0.000 1.154 193 R HN 0.582 nan 8.270 nan 0.000 0.606 194 P HA -0.058 nan 4.420 nan 0.000 0.233 194 P C 0.001 177.290 177.300 -0.017 0.000 1.167 194 P CA 0.732 63.833 63.100 0.002 0.000 0.770 194 P CB 0.575 32.259 31.700 -0.027 0.000 0.837 195 E N -0.638 119.502 120.200 -0.101 0.000 2.358 195 E HA -0.019 4.331 4.350 -0.001 0.000 0.195 195 E C 0.672 177.110 176.600 -0.271 0.000 1.010 195 E CA 0.831 57.083 56.400 -0.246 0.000 0.856 195 E CB -0.839 28.600 29.700 -0.435 0.000 0.795 195 E HN 0.327 nan 8.360 nan 0.000 0.504 196 F N 0.809 120.802 119.950 0.071 0.000 2.684 196 F HA 0.250 4.777 4.527 -0.001 0.000 0.298 196 F C 0.479 176.382 175.800 0.171 0.000 1.120 196 F CA -0.490 57.584 58.000 0.122 0.000 1.332 196 F CB 0.151 39.243 39.000 0.152 0.000 0.986 196 F HN -0.278 nan 8.300 nan 0.000 0.524 197 T N 3.236 117.945 114.554 0.258 0.000 2.905 197 T HA 0.233 4.583 4.350 -0.001 0.000 0.299 197 T C 0.018 174.809 174.700 0.151 0.000 1.024 197 T CA 0.647 62.875 62.100 0.213 0.000 1.151 197 T CB 0.113 69.060 68.868 0.132 0.000 0.987 197 T HN 0.078 nan 8.240 nan 0.000 0.535 198 L N 6.612 127.888 121.223 0.088 0.000 2.354 198 L HA 0.567 4.907 4.340 -0.001 0.000 0.264 198 L C -2.129 174.731 176.870 -0.017 0.000 1.008 198 L CA -2.578 52.265 54.840 0.004 0.000 0.819 198 L CB 2.298 44.286 42.059 -0.119 0.000 1.339 198 L HN 0.408 nan 8.230 nan 0.000 0.420 199 P HA 0.219 nan 4.420 nan 0.000 0.278 199 P C -1.159 176.108 177.300 -0.056 0.000 1.238 199 P CA -0.291 62.788 63.100 -0.035 0.000 0.794 199 P CB 1.985 33.684 31.700 -0.002 0.000 0.955 200 V N 3.734 123.575 119.914 -0.121 0.000 2.531 200 V HA 0.288 4.408 4.120 -0.001 0.000 0.301 200 V C 0.164 176.053 176.094 -0.343 0.000 1.034 200 V CA -0.611 61.600 62.300 -0.147 0.000 0.865 200 V CB 1.316 33.119 31.823 -0.033 0.000 0.995 200 V HN 0.605 nan 8.190 nan 0.000 0.424 201 H N 4.146 123.058 119.070 -0.264 0.000 2.473 201 H HA 0.589 5.145 4.556 -0.001 0.000 0.327 201 H C -1.294 173.802 175.328 -0.386 0.000 1.105 201 H CA -0.045 55.816 56.048 -0.313 0.000 1.280 201 H CB 1.773 31.229 29.762 -0.510 0.000 1.450 201 H HN 0.455 nan 8.280 nan 0.000 0.492 202 F N 0.725 120.785 119.950 0.183 0.000 2.603 202 F HA 0.219 4.746 4.527 -0.001 0.000 0.317 202 F C -0.203 175.815 175.800 0.365 0.000 1.066 202 F CA -0.610 57.532 58.000 0.238 0.000 0.941 202 F CB 0.813 39.879 39.000 0.109 0.000 1.291 202 F HN 0.576 nan 8.300 nan 0.000 0.472 203 Y N 0.143 120.736 120.300 0.488 0.000 2.893 203 Y HA 0.078 4.628 4.550 -0.001 0.000 0.458 203 Y C 1.112 177.261 175.900 0.415 0.000 1.197 203 Y CA 0.807 59.118 58.100 0.353 0.000 2.417 203 Y CB -1.619 36.972 38.460 0.218 0.000 1.230 203 Y HN 1.210 nan 8.280 nan 0.000 0.639 204 G N 0.020 109.112 108.800 0.487 0.000 2.384 204 G HA2 0.314 4.274 3.960 -0.001 0.000 0.204 204 G HA3 0.314 4.274 3.960 -0.001 0.000 0.204 204 G C -1.064 174.067 174.900 0.385 0.000 1.237 204 G CA 0.217 45.540 45.100 0.371 0.000 1.060 204 G HN 1.343 nan 8.290 nan 0.000 0.514 205 R N -1.714 119.041 120.500 0.425 0.000 2.629 205 R HA 0.660 5.000 4.340 -0.001 0.000 0.266 205 R C -1.872 174.631 176.300 0.338 0.000 1.051 205 R CA -0.801 55.476 56.100 0.295 0.000 0.895 205 R CB 1.723 32.137 30.300 0.190 0.000 1.246 205 R HN 0.929 nan 8.270 nan 0.000 0.459 206 V N 2.572 122.612 119.914 0.210 0.000 2.384 206 V HA 0.339 4.459 4.120 -0.001 0.000 0.287 206 V C -0.372 175.830 176.094 0.180 0.000 1.020 206 V CA -0.506 61.892 62.300 0.163 0.000 0.850 206 V CB 1.363 33.211 31.823 0.041 0.000 0.987 206 V HN 0.786 nan 8.190 nan 0.000 0.436 207 E N 4.160 124.451 120.200 0.152 0.000 2.134 207 E HA 0.308 4.657 4.350 -0.001 0.000 0.278 207 E C -0.688 176.003 176.600 0.153 0.000 0.959 207 E CA -0.640 55.851 56.400 0.151 0.000 0.783 207 E CB 0.689 30.452 29.700 0.106 0.000 1.095 207 E HN 0.734 nan 8.360 nan 0.000 0.399 208 H N 3.750 122.840 119.070 0.032 0.000 2.846 208 H HA 0.159 4.715 4.556 -0.001 0.000 0.278 208 H C -0.605 174.735 175.328 0.021 0.000 1.117 208 H CA -0.185 55.877 56.048 0.023 0.000 1.406 208 H CB 0.763 30.534 29.762 0.015 0.000 1.445 208 H HN 0.402 nan 8.280 nan 0.000 0.469 209 T N 0.761 115.368 114.554 0.090 0.000 2.833 209 T HA 0.206 4.556 4.350 -0.001 0.000 0.297 209 T C 1.028 175.753 174.700 0.043 0.000 1.015 209 T CA -0.244 61.892 62.100 0.061 0.000 0.963 209 T CB 1.667 70.560 68.868 0.042 0.000 0.955 209 T HN 0.787 nan 8.240 nan 0.000 0.449 210 S N 2.577 118.304 115.700 0.045 0.000 4.024 210 S HA -0.424 4.046 4.470 -0.001 0.000 0.420 210 S C 1.161 175.778 174.600 0.029 0.000 1.771 210 S CA 1.852 60.072 58.200 0.034 0.000 4.062 210 S CB -1.553 61.663 63.200 0.026 0.000 0.800 210 S HN 0.836 nan 8.310 nan 0.000 0.459 211 Q N 3.507 123.320 119.800 0.021 0.000 2.155 211 Q HA 0.607 4.947 4.340 -0.001 0.000 0.220 211 Q C 0.343 176.349 176.000 0.009 0.000 0.819 211 Q CA 0.792 56.606 55.803 0.018 0.000 1.032 211 Q CB 0.703 29.451 28.738 0.017 0.000 1.151 211 Q HN 1.158 nan 8.270 nan 0.000 0.487 212 G N -1.144 107.657 108.800 0.001 0.000 2.494 212 G HA2 0.659 4.618 3.960 -0.001 0.000 0.308 212 G HA3 0.659 4.618 3.960 -0.001 0.000 0.308 212 G C -1.706 173.151 174.900 -0.071 0.000 1.263 212 G CA -0.223 44.860 45.100 -0.028 0.000 0.840 212 G HN 0.218 nan 8.290 nan 0.000 0.479 213 A N -0.472 122.264 122.820 -0.139 0.000 2.354 213 A HA 0.877 5.197 4.320 -0.001 0.000 0.321 213 A C -0.501 177.021 177.584 -0.104 0.000 1.125 213 A CA -0.570 51.314 52.037 -0.255 0.000 0.799 213 A CB 1.611 20.353 19.000 -0.431 0.000 1.293 213 A HN 0.471 nan 8.150 nan 0.000 0.452 214 K N 0.542 120.913 120.400 -0.047 0.000 2.397 214 K HA 0.267 4.587 4.320 -0.001 0.000 0.253 214 K C -1.987 174.690 176.600 0.128 0.000 0.932 214 K CA -0.346 55.961 56.287 0.033 0.000 0.795 214 K CB 2.115 34.637 32.500 0.036 0.000 1.159 214 K HN 0.707 nan 8.250 nan 0.000 0.424 215 W N 5.696 126.953 121.300 -0.073 0.000 2.278 215 W HA 0.338 4.997 4.660 -0.000 0.000 0.317 215 W C -0.764 175.746 176.519 -0.015 0.000 1.030 215 W CA -0.859 56.458 57.345 -0.046 0.000 1.334 215 W CB 0.065 29.482 29.460 -0.072 0.000 1.215 215 W HN 0.267 nan 8.180 nan 0.000 0.405 216 V N 2.643 122.648 119.914 0.152 0.000 3.177 216 V HA 0.599 4.718 4.120 -0.001 0.000 0.319 216 V C 0.127 176.208 176.094 -0.022 0.000 1.125 216 V CA -0.728 61.572 62.300 -0.000 0.000 1.029 216 V CB 1.711 33.563 31.823 0.048 0.000 1.119 216 V HN 0.489 nan 8.190 nan 0.000 0.452 217 D N -0.039 120.344 120.400 -0.028 0.000 2.811 217 D HA -0.151 4.489 4.640 -0.001 0.000 0.231 217 D C 0.563 176.861 176.300 -0.004 0.000 1.157 217 D CA 1.536 55.536 54.000 0.000 0.000 0.716 217 D CB -1.803 39.023 40.800 0.045 0.000 1.077 217 D HN 1.277 nan 8.370 nan 0.000 0.428 218 T N -2.587 111.905 114.554 -0.104 0.000 2.869 218 T HA 0.321 4.671 4.350 -0.001 0.000 0.295 218 T C 0.449 175.153 174.700 0.007 0.000 0.987 218 T CA -0.682 61.366 62.100 -0.087 0.000 1.109 218 T CB 2.466 71.088 68.868 -0.410 0.000 0.932 218 T HN 0.244 nan 8.240 nan 0.000 0.518 219 Q N 1.529 121.400 119.800 0.118 0.000 2.535 219 Q HA 0.459 4.799 4.340 -0.001 0.000 0.228 219 Q C -1.178 174.862 176.000 0.066 0.000 1.062 219 Q CA -0.529 55.358 55.803 0.140 0.000 0.967 219 Q CB 0.583 29.480 28.738 0.266 0.000 1.273 219 Q HN 0.659 nan 8.270 nan 0.000 0.554 220 V N 1.728 121.680 119.914 0.063 0.000 2.932 220 V HA 0.468 4.588 4.120 -0.001 0.000 0.307 220 V C -1.162 174.981 176.094 0.082 0.000 1.147 220 V CA -0.738 61.511 62.300 -0.085 0.000 0.951 220 V CB 2.490 34.178 31.823 -0.226 0.000 1.031 220 V HN 0.644 nan 8.190 nan 0.000 0.426 221 V N 4.688 124.659 119.914 0.094 0.000 2.789 221 V HA 0.549 4.668 4.120 -0.001 0.000 0.311 221 V C -0.544 175.625 176.094 0.125 0.000 1.073 221 V CA -0.672 61.716 62.300 0.147 0.000 0.921 221 V CB 2.142 34.100 31.823 0.225 0.000 1.009 221 V HN 0.636 nan 8.190 nan 0.000 0.426 222 L N 3.217 124.519 121.223 0.132 0.000 2.307 222 L HA 0.730 5.070 4.340 -0.001 0.000 0.282 222 L C 0.423 177.479 176.870 0.310 0.000 1.051 222 L CA -0.495 54.441 54.840 0.161 0.000 0.804 222 L CB 1.635 43.758 42.059 0.107 0.000 1.197 222 L HN 0.780 nan 8.230 nan 0.000 0.431 223 A N 5.470 128.451 122.820 0.269 0.000 2.260 223 A HA 0.509 4.829 4.320 -0.001 0.000 0.312 223 A C -0.349 177.466 177.584 0.385 0.000 1.321 223 A CA -0.401 51.824 52.037 0.312 0.000 0.928 223 A CB 0.527 19.301 19.000 -0.377 0.000 1.158 223 A HN 0.786 nan 8.150 nan 0.000 0.542 224 M N 6.642 126.541 119.600 0.497 0.000 2.061 224 M HA 0.367 4.847 4.480 -0.001 0.000 0.346 224 M C -2.446 174.165 176.300 0.518 0.000 1.112 224 M CA -2.254 53.321 55.300 0.457 0.000 1.021 224 M CB 1.755 34.554 32.600 0.331 0.000 1.530 224 M HN 0.398 nan 8.290 nan 0.000 0.437 225 P HA 0.194 nan 4.420 nan 0.000 0.274 225 P C -1.803 175.527 177.300 0.050 0.000 1.246 225 P CA 0.038 63.170 63.100 0.054 0.000 0.795 225 P CB 0.617 32.176 31.700 -0.235 0.000 1.006 226 Y N -0.526 119.639 120.300 -0.225 0.000 2.323 226 Y HA 0.233 4.783 4.550 -0.001 0.000 0.322 226 Y C -0.460 175.301 175.900 -0.231 0.000 1.133 226 Y CA -0.664 57.337 58.100 -0.164 0.000 1.093 226 Y CB 1.229 39.620 38.460 -0.115 0.000 1.203 226 Y HN 0.187 nan 8.280 nan 0.000 0.427 227 D N 2.377 122.711 120.400 -0.110 0.000 2.232 227 D HA 0.442 5.082 4.640 -0.001 0.000 0.242 227 D C -0.356 175.853 176.300 -0.152 0.000 1.093 227 D CA -0.141 53.750 54.000 -0.182 0.000 0.845 227 D CB 1.715 42.365 40.800 -0.250 0.000 1.124 227 D HN 0.330 nan 8.370 nan 0.000 0.467 228 T N 3.248 117.727 114.554 -0.125 0.000 2.855 228 T HA 0.599 4.949 4.350 -0.001 0.000 0.281 228 T C -2.406 172.224 174.700 -0.116 0.000 1.007 228 T CA -1.419 60.640 62.100 -0.068 0.000 1.009 228 T CB 2.185 71.038 68.868 -0.026 0.000 0.983 228 T HN 0.225 nan 8.240 nan 0.000 0.455 229 P HA 0.627 nan 4.420 nan 0.000 0.287 229 P C -1.459 175.828 177.300 -0.022 0.000 1.292 229 P CA -0.847 62.217 63.100 -0.060 0.000 0.879 229 P CB 1.378 33.004 31.700 -0.123 0.000 1.214 230 V N -2.956 116.986 119.914 0.047 0.000 2.482 230 V HA 0.580 4.699 4.120 -0.001 0.000 0.295 230 V C -2.805 173.320 176.094 0.052 0.000 1.026 230 V CA -2.577 59.736 62.300 0.022 0.000 0.856 230 V CB 1.824 33.667 31.823 0.033 0.000 1.001 230 V HN 0.422 nan 8.190 nan 0.000 0.424 231 P HA 0.437 nan 4.420 nan 0.000 0.292 231 P C 0.426 177.752 177.300 0.043 0.000 1.283 231 P CA 0.244 63.367 63.100 0.037 0.000 0.835 231 P CB 2.112 33.818 31.700 0.011 0.000 1.017 232 G N 1.876 110.707 108.800 0.053 0.000 2.653 232 G HA2 0.071 4.031 3.960 -0.001 0.000 0.265 232 G HA3 0.071 4.031 3.960 -0.001 0.000 0.265 232 G C -1.088 173.877 174.900 0.108 0.000 1.237 232 G CA -0.283 44.861 45.100 0.074 0.000 0.946 232 G HN 0.458 nan 8.290 nan 0.000 0.522 233 Y N 0.226 120.517 120.300 -0.015 0.000 2.539 233 Y HA 0.301 4.850 4.550 -0.001 0.000 0.352 233 Y C 1.358 177.244 175.900 -0.023 0.000 1.004 233 Y CA -0.656 57.426 58.100 -0.030 0.000 1.278 233 Y CB 0.251 38.687 38.460 -0.040 0.000 1.136 233 Y HN 0.676 nan 8.280 nan 0.000 0.528 234 R N 2.400 122.696 120.500 -0.340 0.000 3.804 234 R HA -0.298 4.041 4.340 -0.001 0.000 0.286 234 R C 0.425 176.649 176.300 -0.127 0.000 1.192 234 R CA 1.384 57.290 56.100 -0.323 0.000 0.801 234 R CB -1.412 28.554 30.300 -0.556 0.000 1.180 234 R HN 0.861 nan 8.270 nan 0.000 0.509 235 N N -0.791 117.882 118.700 -0.046 0.000 2.203 235 N HA 0.016 4.756 4.740 -0.001 0.000 0.207 235 N C -0.284 175.210 175.510 -0.026 0.000 1.130 235 N CA 0.021 53.060 53.050 -0.018 0.000 0.861 235 N CB 0.414 38.915 38.487 0.024 0.000 1.005 235 N HN 0.123 nan 8.380 nan 0.000 0.507 236 N N 0.357 119.038 118.700 -0.033 0.000 2.753 236 N HA -0.152 4.587 4.740 -0.001 0.000 0.251 236 N C -0.189 175.305 175.510 -0.027 0.000 1.097 236 N CA 0.938 53.971 53.050 -0.028 0.000 0.786 236 N CB -1.732 36.729 38.487 -0.043 0.000 1.137 236 N HN 0.498 nan 8.380 nan 0.000 0.566 237 V N -1.361 118.550 119.914 -0.005 0.000 2.439 237 V HA 0.698 4.818 4.120 -0.001 0.000 0.282 237 V C 0.191 176.305 176.094 0.033 0.000 1.039 237 V CA -0.505 61.797 62.300 0.003 0.000 0.913 237 V CB 2.043 33.907 31.823 0.068 0.000 0.983 237 V HN -0.071 nan 8.190 nan 0.000 0.460 238 V N 6.366 126.303 119.914 0.037 0.000 2.588 238 V HA 0.613 4.732 4.120 -0.001 0.000 0.304 238 V C -0.298 175.879 176.094 0.138 0.000 1.042 238 V CA -0.618 61.755 62.300 0.122 0.000 0.877 238 V CB 1.882 33.820 31.823 0.192 0.000 0.996 238 V HN 1.025 nan 8.190 nan 0.000 0.425 239 N N 1.346 120.146 118.700 0.166 0.000 2.531 239 N HA 0.526 5.266 4.740 -0.001 0.000 0.290 239 N C -0.426 175.262 175.510 0.297 0.000 1.257 239 N CA -0.546 52.591 53.050 0.145 0.000 0.863 239 N CB 1.736 40.225 38.487 0.005 0.000 1.320 239 N HN 0.558 nan 8.380 nan 0.000 0.538 240 T N 1.090 115.847 114.554 0.339 0.000 2.727 240 T HA 0.267 4.617 4.350 -0.001 0.000 0.298 240 T C 0.461 175.236 174.700 0.125 0.000 0.942 240 T CA -0.273 62.044 62.100 0.362 0.000 0.997 240 T CB -0.094 69.094 68.868 0.534 0.000 0.917 240 T HN 0.299 nan 8.240 nan 0.000 0.487 241 M N 4.019 123.603 119.600 -0.026 0.000 2.211 241 M HA 0.492 4.972 4.480 -0.001 0.000 0.356 241 M C -0.025 176.086 176.300 -0.315 0.000 1.216 241 M CA -0.493 54.694 55.300 -0.188 0.000 1.134 241 M CB 0.450 32.919 32.600 -0.219 0.000 1.564 241 M HN 0.440 nan 8.290 nan 0.000 0.463 242 R N 5.786 125.956 120.500 -0.550 0.000 2.407 242 R HA 0.413 4.753 4.340 -0.001 0.000 0.298 242 R C -2.127 173.725 176.300 -0.746 0.000 1.166 242 R CA -0.510 55.188 56.100 -0.670 0.000 1.006 242 R CB 0.456 30.210 30.300 -0.911 0.000 1.145 242 R HN 0.640 nan 8.270 nan 0.000 0.538 243 L N 3.457 124.363 121.223 -0.528 0.000 2.375 243 L HA 0.488 4.827 4.340 -0.001 0.000 0.271 243 L C 0.028 176.622 176.870 -0.459 0.000 1.107 243 L CA -0.562 54.020 54.840 -0.430 0.000 0.806 243 L CB 0.251 42.151 42.059 -0.265 0.000 1.146 243 L HN 0.597 nan 8.230 nan 0.000 0.447 244 W N 0.757 122.051 121.300 -0.009 0.000 2.516 244 W HA 0.583 5.242 4.660 -0.001 0.000 0.343 244 W C 0.341 176.944 176.519 0.140 0.000 1.094 244 W CA -0.309 57.060 57.345 0.041 0.000 1.250 244 W CB 1.578 30.924 29.460 -0.190 0.000 1.308 244 W HN 0.391 nan 8.180 nan 0.000 0.588 245 S N 0.793 116.804 115.700 0.518 0.000 2.536 245 S HA 0.739 5.209 4.470 -0.001 0.000 0.287 245 S C -0.815 174.099 174.600 0.523 0.000 1.101 245 S CA -0.709 57.727 58.200 0.393 0.000 0.950 245 S CB 0.973 64.293 63.200 0.200 0.000 1.056 245 S HN 0.485 nan 8.310 nan 0.000 0.481 246 A N 3.928 126.929 122.820 0.302 0.000 2.289 246 A HA 0.654 4.974 4.320 -0.001 0.000 0.298 246 A C -0.299 177.355 177.584 0.116 0.000 1.208 246 A CA -0.293 51.795 52.037 0.085 0.000 0.845 246 A CB 0.293 19.145 19.000 -0.247 0.000 1.125 246 A HN 0.689 nan 8.150 nan 0.000 0.517 247 K N 1.869 122.352 120.400 0.138 0.000 2.541 247 K HA 0.542 4.861 4.320 -0.001 0.000 0.250 247 K C -0.211 176.444 176.600 0.091 0.000 0.950 247 K CA -0.505 55.849 56.287 0.112 0.000 0.805 247 K CB 2.105 34.680 32.500 0.125 0.000 1.166 247 K HN 0.901 nan 8.250 nan 0.000 0.430 248 A N 4.206 127.080 122.820 0.089 0.000 2.520 248 A HA 0.229 4.549 4.320 -0.001 0.000 0.235 248 A C -2.213 175.372 177.584 0.001 0.000 1.065 248 A CA -0.686 51.417 52.037 0.110 0.000 0.764 248 A CB -0.600 18.517 19.000 0.195 0.000 1.002 248 A HN 0.371 nan 8.150 nan 0.000 0.502 249 P HA 0.108 nan 4.420 nan 0.000 0.266 249 P C -0.488 176.431 177.300 -0.636 0.000 1.195 249 P CA 0.153 63.054 63.100 -0.332 0.000 0.768 249 P CB 0.222 31.715 31.700 -0.345 0.000 0.838 250 N N 1.027 119.455 118.700 -0.454 0.000 2.480 250 N HA 0.053 4.792 4.740 -0.001 0.000 0.281 250 N C -0.135 175.206 175.510 -0.281 0.000 1.381 250 N CA -0.188 52.641 53.050 -0.368 0.000 0.903 250 N CB 0.242 38.658 38.487 -0.118 0.000 1.274 250 N HN 0.357 nan 8.380 nan 0.000 0.505 251 D N 0.335 120.466 120.400 -0.448 0.000 2.224 251 D HA -0.096 4.544 4.640 -0.001 0.000 0.205 251 D C 0.222 176.517 176.300 -0.008 0.000 0.965 251 D CA 0.670 54.546 54.000 -0.205 0.000 0.852 251 D CB -0.084 40.605 40.800 -0.186 0.000 0.947 251 D HN 0.218 nan 8.370 nan 0.000 0.494 252 F N 2.177 122.150 119.950 0.040 0.000 2.526 252 F HA 0.081 4.608 4.527 -0.001 0.000 0.327 252 F C 1.151 176.971 175.800 0.033 0.000 1.271 252 F CA -0.138 57.886 58.000 0.040 0.000 0.992 252 F CB -1.305 37.717 39.000 0.035 0.000 1.284 252 F HN 0.072 nan 8.300 nan 0.000 0.635 253 N N -0.234 118.580 118.700 0.191 0.000 2.539 253 N HA 0.088 4.827 4.740 -0.001 0.000 0.326 253 N C 0.267 175.818 175.510 0.068 0.000 0.622 253 N CA 0.031 53.143 53.050 0.104 0.000 1.237 253 N CB 0.398 38.927 38.487 0.070 0.000 1.806 253 N HN 0.117 nan 8.380 nan 0.000 1.552 254 L N -0.895 120.371 121.223 0.072 0.000 2.658 254 L HA 0.407 4.746 4.340 -0.001 0.000 0.222 254 L C 0.239 177.197 176.870 0.146 0.000 1.033 254 L CA 0.156 55.019 54.840 0.038 0.000 0.949 254 L CB -0.408 41.659 42.059 0.013 0.000 1.698 254 L HN 0.113 nan 8.230 nan 0.000 0.498 255 K N 1.580 122.075 120.400 0.159 0.000 2.402 255 K HA 0.115 4.435 4.320 -0.001 0.000 0.285 255 K C -0.388 176.342 176.600 0.216 0.000 1.054 255 K CA 1.020 57.424 56.287 0.194 0.000 1.001 255 K CB 0.495 33.050 32.500 0.092 0.000 0.946 255 K HN 0.320 nan 8.250 nan 0.000 0.473 256 D N 3.007 123.581 120.400 0.290 0.000 3.485 256 D HA -0.147 4.493 4.640 -0.001 0.000 0.178 256 D C -0.733 175.747 176.300 0.301 0.000 0.530 256 D CA 0.363 54.485 54.000 0.205 0.000 0.772 256 D CB -0.766 40.152 40.800 0.198 0.000 1.566 256 D HN 0.499 nan 8.370 nan 0.000 0.517 257 F N -0.032 119.951 119.950 0.056 0.000 3.080 257 F HA -0.228 4.299 4.527 -0.001 0.000 0.292 257 F C 1.122 176.953 175.800 0.051 0.000 0.891 257 F CA 1.121 59.149 58.000 0.046 0.000 1.086 257 F CB -2.604 36.416 39.000 0.033 0.000 1.095 257 F HN 0.276 nan 8.300 nan 0.000 0.633 258 N N 0.400 119.238 118.700 0.229 0.000 2.132 258 N HA 0.036 4.775 4.740 -0.001 0.000 0.187 258 N C 1.253 176.840 175.510 0.128 0.000 1.038 258 N CA 1.457 54.594 53.050 0.146 0.000 0.846 258 N CB -0.971 37.582 38.487 0.110 0.000 1.012 258 N HN 0.319 nan 8.380 nan 0.000 0.429 259 V N -2.701 117.292 119.914 0.131 0.000 4.037 259 V HA 0.531 4.651 4.120 -0.001 0.000 0.263 259 V C 2.013 178.122 176.094 0.026 0.000 0.880 259 V CA 0.019 62.373 62.300 0.091 0.000 0.823 259 V CB -1.016 30.871 31.823 0.106 0.000 1.171 259 V HN 0.573 nan 8.190 nan 0.000 0.378 260 G N -0.360 108.431 108.800 -0.015 0.000 5.229 260 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.250 260 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.250 260 G C 1.292 176.136 174.900 -0.093 0.000 1.380 260 G CA 1.080 46.132 45.100 -0.080 0.000 0.933 260 G HN 1.673 nan 8.290 nan 0.000 0.731 261 G N -0.621 108.136 108.800 -0.070 0.000 2.480 261 G HA2 0.165 4.124 3.960 -0.001 0.000 0.216 261 G HA3 0.165 4.124 3.960 -0.001 0.000 0.216 261 G C 0.527 175.364 174.900 -0.105 0.000 1.200 261 G CA 1.794 46.851 45.100 -0.072 0.000 0.782 261 G HN 0.975 nan 8.290 nan 0.000 0.554 262 Y N -0.671 119.616 120.300 -0.021 0.000 2.298 262 Y HA 0.313 4.862 4.550 -0.000 0.000 0.322 262 Y C 0.784 176.665 175.900 -0.033 0.000 1.138 262 Y CA -1.415 56.669 58.100 -0.025 0.000 1.127 262 Y CB 1.244 39.688 38.460 -0.028 0.000 1.178 262 Y HN 0.187 nan 8.280 nan 0.000 0.428 263 I N 0.309 121.028 120.570 0.249 0.000 3.550 263 I HA -0.070 4.100 4.170 -0.001 0.000 0.295 263 I C 1.572 177.755 176.117 0.111 0.000 1.291 263 I CA 0.580 61.956 61.300 0.126 0.000 1.298 263 I CB -0.128 37.920 38.000 0.081 0.000 1.026 263 I HN 0.646 nan 8.210 nan 0.000 0.491 264 Q N 2.209 122.093 119.800 0.140 0.000 2.376 264 Q HA -0.155 4.184 4.340 -0.001 0.000 0.211 264 Q C 1.988 177.925 176.000 -0.106 0.000 0.986 264 Q CA 1.473 57.245 55.803 -0.050 0.000 0.886 264 Q CB -0.578 27.989 28.738 -0.285 0.000 0.927 264 Q HN 0.641 nan 8.270 nan 0.000 0.457 265 A N 0.963 123.703 122.820 -0.132 0.000 2.248 265 A HA 0.025 4.344 4.320 -0.001 0.000 0.210 265 A C 2.021 179.425 177.584 -0.300 0.000 1.174 265 A CA 0.521 52.407 52.037 -0.253 0.000 0.750 265 A CB -0.413 18.380 19.000 -0.345 0.000 0.780 265 A HN 0.273 nan 8.150 nan 0.000 0.478 266 V N -0.675 119.150 119.914 -0.148 0.000 2.720 266 V HA -0.218 3.902 4.120 -0.001 0.000 0.256 266 V C 2.370 178.421 176.094 -0.072 0.000 1.082 266 V CA 1.808 64.064 62.300 -0.073 0.000 1.101 266 V CB -0.491 31.326 31.823 -0.010 0.000 0.693 266 V HN 0.670 nan 8.190 nan 0.000 0.479 267 L N -0.146 121.020 121.223 -0.095 0.000 2.093 267 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 267 L C 2.425 179.238 176.870 -0.095 0.000 1.085 267 L CA 1.963 56.755 54.840 -0.080 0.000 0.755 267 L CB -0.582 41.426 42.059 -0.085 0.000 0.904 267 L HN 0.390 nan 8.230 nan 0.000 0.435 268 D N -0.075 120.222 120.400 -0.172 0.000 2.104 268 D HA -0.247 4.392 4.640 -0.001 0.000 0.194 268 D C 2.253 178.532 176.300 -0.035 0.000 0.994 268 D CA 1.222 55.129 54.000 -0.155 0.000 0.830 268 D CB 0.032 40.610 40.800 -0.371 0.000 0.959 268 D HN 0.056 nan 8.370 nan 0.000 0.452 269 R N 0.590 121.059 120.500 -0.052 0.000 2.127 269 R HA -0.116 4.224 4.340 -0.001 0.000 0.228 269 R C 2.202 178.551 176.300 0.081 0.000 1.125 269 R CA 1.457 57.634 56.100 0.129 0.000 0.904 269 R CB -1.053 29.329 30.300 0.137 0.000 0.831 269 R HN 0.372 nan 8.270 nan 0.000 0.431 270 N N 0.532 119.255 118.700 0.039 0.000 2.142 270 N HA -0.122 4.618 4.740 -0.001 0.000 0.186 270 N C 2.046 177.570 175.510 0.023 0.000 1.023 270 N CA 1.103 54.174 53.050 0.035 0.000 0.852 270 N CB -0.105 38.395 38.487 0.022 0.000 0.998 270 N HN 0.214 nan 8.380 nan 0.000 0.424 271 L N 1.081 122.306 121.223 0.004 0.000 2.079 271 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 271 L C 2.571 179.430 176.870 -0.018 0.000 1.081 271 L CA 0.995 55.830 54.840 -0.008 0.000 0.752 271 L CB -0.582 41.464 42.059 -0.022 0.000 0.896 271 L HN 0.143 nan 8.230 nan 0.000 0.433 272 A N 0.398 123.218 122.820 0.000 0.000 1.834 272 A HA -0.250 4.070 4.320 -0.001 0.000 0.216 272 A C 2.095 179.666 177.584 -0.022 0.000 1.203 272 A CA 1.806 53.839 52.037 -0.006 0.000 0.621 272 A CB -0.749 18.292 19.000 0.067 0.000 0.841 272 A HN 0.424 nan 8.150 nan 0.000 0.446 273 E N 0.165 120.381 120.200 0.025 0.000 2.233 273 E HA -0.232 4.118 4.350 -0.001 0.000 0.199 273 E C 1.013 177.637 176.600 0.040 0.000 1.004 273 E CA 1.323 57.745 56.400 0.038 0.000 0.819 273 E CB -0.478 29.262 29.700 0.068 0.000 0.738 273 E HN 0.938 nan 8.360 nan 0.000 0.478 274 N N -0.003 118.718 118.700 0.036 0.000 2.376 274 N HA 0.109 4.849 4.740 -0.001 0.000 0.249 274 N C 1.196 176.748 175.510 0.070 0.000 1.140 274 N CA -0.198 52.893 53.050 0.070 0.000 0.870 274 N CB 0.243 38.775 38.487 0.074 0.000 1.124 274 N HN 0.068 nan 8.380 nan 0.000 0.505 275 I N -0.366 120.199 120.570 -0.008 0.000 2.286 275 I HA -0.150 4.020 4.170 -0.001 0.000 0.245 275 I C 1.836 178.014 176.117 0.102 0.000 1.104 275 I CA 1.001 62.282 61.300 -0.032 0.000 1.397 275 I CB 0.016 37.829 38.000 -0.312 0.000 1.072 275 I HN 0.297 nan 8.210 nan 0.000 0.417 276 S N -0.360 115.385 115.700 0.075 0.000 2.556 276 S HA 0.098 4.568 4.470 -0.001 0.000 0.216 276 S C 1.792 176.545 174.600 0.254 0.000 0.970 276 S CA 0.016 58.312 58.200 0.161 0.000 0.912 276 S CB -0.091 63.169 63.200 0.101 0.000 0.790 276 S HN 0.244 nan 8.310 nan 0.000 0.504 277 R N 0.063 120.716 120.500 0.255 0.000 2.127 277 R HA 0.222 4.562 4.340 -0.001 0.000 0.217 277 R C 0.251 176.779 176.300 0.382 0.000 1.074 277 R CA 0.688 56.980 56.100 0.320 0.000 0.991 277 R CB 0.376 30.829 30.300 0.255 0.000 0.895 277 R HN 0.283 nan 8.270 nan 0.000 0.450 278 V N 0.818 120.881 119.914 0.249 0.000 2.760 278 V HA 0.335 4.454 4.120 -0.001 0.000 0.309 278 V C -0.853 175.105 176.094 -0.227 0.000 1.077 278 V CA -1.050 61.260 62.300 0.017 0.000 0.910 278 V CB 1.925 33.649 31.823 -0.165 0.000 1.008 278 V HN 0.097 nan 8.190 nan 0.000 0.424 279 L N 5.372 126.269 121.223 -0.543 0.000 2.453 279 L HA 0.498 4.837 4.340 -0.001 0.000 0.261 279 L C -1.277 175.256 176.870 -0.561 0.000 1.179 279 L CA -0.183 54.172 54.840 -0.809 0.000 0.813 279 L CB 0.958 42.528 42.059 -0.814 0.000 1.110 279 L HN 0.736 nan 8.230 nan 0.000 0.466 280 Y N 3.672 123.880 120.300 -0.154 0.000 2.352 280 Y HA 0.399 4.948 4.550 -0.001 0.000 0.339 280 Y C -1.458 174.427 175.900 -0.025 0.000 0.992 280 Y CA -1.432 56.641 58.100 -0.044 0.000 1.100 280 Y CB 0.877 39.338 38.460 0.003 0.000 1.192 280 Y HN 0.559 nan 8.280 nan 0.000 0.458 281 P HA 0.474 nan 4.420 nan 0.000 0.310 281 P C -0.767 176.617 177.300 0.140 0.000 1.399 281 P CA 0.292 63.465 63.100 0.121 0.000 0.849 281 P CB 0.550 32.347 31.700 0.161 0.000 2.098 288 G N 0.591 109.366 108.800 -0.043 0.000 2.985 288 G HA2 0.338 4.297 3.960 -0.001 0.000 0.282 288 G HA3 0.338 4.297 3.960 -0.001 0.000 0.282 288 G C -0.539 174.549 174.900 0.313 0.000 0.791 288 G CA -0.117 45.071 45.100 0.146 0.000 1.934 288 G HN 0.270 nan 8.290 nan 0.000 0.563 289 K N 1.035 121.630 120.400 0.325 0.000 2.156 289 K HA 0.219 4.538 4.320 -0.001 0.000 0.271 289 K C 1.009 177.616 176.600 0.012 0.000 0.995 289 K CA -0.633 55.713 56.287 0.098 0.000 0.890 289 K CB 1.157 33.619 32.500 -0.064 0.000 1.073 289 K HN 0.287 nan 8.250 nan 0.000 0.454 290 E N 3.467 123.624 120.200 -0.072 0.000 2.265 290 E HA -0.165 4.185 4.350 -0.001 0.000 0.196 290 E C 1.365 177.841 176.600 -0.207 0.000 0.996 290 E CA 0.697 56.989 56.400 -0.180 0.000 0.832 290 E CB 0.179 29.809 29.700 -0.117 0.000 0.756 290 E HN 0.685 nan 8.360 nan 0.000 0.491 291 L N 0.335 121.472 121.223 -0.143 0.000 2.027 291 L HA -0.170 4.170 4.340 -0.001 0.000 0.206 291 L C 2.700 179.514 176.870 -0.094 0.000 1.074 291 L CA 0.979 55.752 54.840 -0.112 0.000 0.745 291 L CB -0.169 41.857 42.059 -0.055 0.000 0.898 291 L HN 0.107 nan 8.230 nan 0.000 0.433 292 R N -0.388 120.048 120.500 -0.107 0.000 2.082 292 R HA -0.218 4.121 4.340 -0.001 0.000 0.234 292 R C 2.115 178.417 176.300 0.005 0.000 1.136 292 R CA 1.563 57.682 56.100 0.032 0.000 0.935 292 R CB -0.919 29.489 30.300 0.179 0.000 0.842 292 R HN 0.249 nan 8.270 nan 0.000 0.430 293 L N 1.914 122.945 121.223 -0.319 0.000 2.079 293 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 293 L C 1.990 178.717 176.870 -0.238 0.000 1.081 293 L CA 1.823 56.305 54.840 -0.596 0.000 0.752 293 L CB -0.353 40.880 42.059 -1.376 0.000 0.896 293 L HN 0.021 nan 8.230 nan 0.000 0.433 294 K N -0.968 119.306 120.400 -0.211 0.000 2.032 294 K HA -0.212 4.107 4.320 -0.001 0.000 0.209 294 K C 2.166 178.842 176.600 0.126 0.000 1.048 294 K CA 1.949 58.140 56.287 -0.161 0.000 0.927 294 K CB -0.186 32.075 32.500 -0.398 0.000 0.712 294 K HN 0.508 nan 8.250 nan 0.000 0.441 295 Q N 0.467 120.344 119.800 0.129 0.000 2.050 295 Q HA -0.185 4.155 4.340 -0.001 0.000 0.202 295 Q C 1.948 178.148 176.000 0.334 0.000 0.980 295 Q CA 1.493 57.461 55.803 0.275 0.000 0.840 295 Q CB 0.061 28.973 28.738 0.289 0.000 0.898 295 Q HN 0.368 nan 8.270 nan 0.000 0.424 296 E N -0.329 120.017 120.200 0.244 0.000 2.072 296 E HA -0.209 4.141 4.350 -0.001 0.000 0.191 296 E C 1.756 178.498 176.600 0.236 0.000 0.985 296 E CA 0.907 57.448 56.400 0.235 0.000 0.801 296 E CB -0.177 29.645 29.700 0.203 0.000 0.750 296 E HN 0.338 nan 8.360 nan 0.000 0.452 297 Y N 0.742 121.102 120.300 0.100 0.000 2.274 297 Y HA -0.233 4.317 4.550 -0.001 0.000 0.290 297 Y C 1.931 177.920 175.900 0.148 0.000 1.145 297 Y CA 0.877 59.016 58.100 0.064 0.000 1.203 297 Y CB -0.360 38.153 38.460 0.088 0.000 0.984 297 Y HN -0.002 nan 8.280 nan 0.000 0.533 298 F N -0.165 119.825 119.950 0.067 0.000 2.026 298 F HA -0.226 4.300 4.527 -0.001 0.000 0.296 298 F C 2.571 178.271 175.800 -0.166 0.000 1.133 298 F CA 2.066 60.036 58.000 -0.049 0.000 1.188 298 F CB -1.264 37.829 39.000 0.155 0.000 0.968 298 F HN -0.107 nan 8.300 nan 0.000 0.476 299 V N -0.189 119.680 119.914 -0.076 0.000 2.720 299 V HA -0.181 3.939 4.120 -0.001 0.000 0.256 299 V C 2.006 178.006 176.094 -0.156 0.000 1.082 299 V CA 1.858 64.091 62.300 -0.111 0.000 1.101 299 V CB -0.459 31.482 31.823 0.197 0.000 0.693 299 V HN 0.268 nan 8.190 nan 0.000 0.479 300 V N 0.140 119.954 119.914 -0.167 0.000 2.535 300 V HA 0.009 4.129 4.120 -0.001 0.000 0.246 300 V C 2.711 178.609 176.094 -0.327 0.000 1.045 300 V CA 1.622 63.815 62.300 -0.179 0.000 1.058 300 V CB -0.528 31.250 31.823 -0.076 0.000 0.689 300 V HN 0.620 nan 8.190 nan 0.000 0.461 301 A N -0.260 122.234 122.820 -0.543 0.000 1.970 301 A HA 0.113 4.433 4.320 -0.001 0.000 0.216 301 A C 2.300 179.569 177.584 -0.526 0.000 1.170 301 A CA 1.651 53.349 52.037 -0.565 0.000 0.645 301 A CB -0.403 18.048 19.000 -0.916 0.000 0.816 301 A HN 0.504 nan 8.150 nan 0.000 0.447 302 A N -0.893 121.471 122.820 -0.760 0.000 1.835 302 A HA 0.026 4.345 4.320 -0.001 0.000 0.213 302 A C 2.218 179.385 177.584 -0.696 0.000 1.210 302 A CA 1.987 53.416 52.037 -1.013 0.000 0.605 302 A CB -1.406 16.346 19.000 -2.081 0.000 0.860 302 A HN 0.353 nan 8.150 nan 0.000 0.447 303 T N 0.531 114.813 114.554 -0.454 0.000 2.684 303 T HA -0.235 4.115 4.350 -0.001 0.000 0.267 303 T C 1.661 176.129 174.700 -0.386 0.000 1.032 303 T CA 2.015 63.956 62.100 -0.266 0.000 1.155 303 T CB -0.419 68.285 68.868 -0.273 0.000 0.857 303 T HN 0.201 nan 8.240 nan 0.000 0.457 304 L N 0.516 121.547 121.223 -0.321 0.000 2.291 304 L HA 0.026 4.365 4.340 -0.001 0.000 0.214 304 L C 2.568 179.331 176.870 -0.180 0.000 1.120 304 L CA 1.411 56.102 54.840 -0.249 0.000 0.799 304 L CB -0.443 41.503 42.059 -0.188 0.000 0.925 304 L HN 0.302 nan 8.230 nan 0.000 0.446 305 Q N -1.359 118.334 119.800 -0.179 0.000 2.187 305 Q HA -0.158 4.182 4.340 -0.001 0.000 0.199 305 Q C 1.514 177.497 176.000 -0.029 0.000 0.957 305 Q CA 0.995 56.744 55.803 -0.090 0.000 0.857 305 Q CB 0.037 28.716 28.738 -0.099 0.000 0.929 305 Q HN 0.369 nan 8.270 nan 0.000 0.453 306 D N 0.975 121.351 120.400 -0.039 0.000 2.097 306 D HA -0.092 4.548 4.640 -0.001 0.000 0.197 306 D C 1.713 177.981 176.300 -0.053 0.000 0.984 306 D CA 0.907 54.935 54.000 0.046 0.000 0.826 306 D CB 0.006 40.933 40.800 0.212 0.000 0.973 306 D HN 0.144 nan 8.370 nan 0.000 0.460 307 I N 0.671 121.085 120.570 -0.259 0.000 2.208 307 I HA -0.248 3.921 4.170 -0.001 0.000 0.245 307 I C 2.357 178.419 176.117 -0.092 0.000 1.097 307 I CA 0.714 61.754 61.300 -0.434 0.000 1.363 307 I CB -0.076 37.467 38.000 -0.761 0.000 1.051 307 I HN 0.071 nan 8.210 nan 0.000 0.413 308 I N 0.113 120.708 120.570 0.041 0.000 2.394 308 I HA -0.271 3.898 4.170 -0.001 0.000 0.251 308 I C 2.722 178.975 176.117 0.225 0.000 1.136 308 I CA 1.078 62.523 61.300 0.242 0.000 1.425 308 I CB -0.622 37.508 38.000 0.216 0.000 1.079 308 I HN 0.301 nan 8.210 nan 0.000 0.425 309 R N 1.651 122.234 120.500 0.139 0.000 2.061 309 R HA -0.164 4.175 4.340 -0.001 0.000 0.230 309 R C 2.476 178.864 176.300 0.147 0.000 1.140 309 R CA 1.488 57.677 56.100 0.149 0.000 0.940 309 R CB -0.162 30.225 30.300 0.144 0.000 0.839 309 R HN 0.155 nan 8.270 nan 0.000 0.429 310 R N -0.337 120.241 120.500 0.130 0.000 2.103 310 R HA -0.196 4.143 4.340 -0.001 0.000 0.242 310 R C 2.153 178.474 176.300 0.035 0.000 1.142 310 R CA 2.094 58.257 56.100 0.105 0.000 0.960 310 R CB -0.630 29.717 30.300 0.078 0.000 0.858 310 R HN 0.275 nan 8.270 nan 0.000 0.439 311 F N 1.654 121.541 119.950 -0.107 0.000 2.065 311 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 311 F C 1.854 177.589 175.800 -0.108 0.000 1.112 311 F CA 1.727 59.589 58.000 -0.231 0.000 1.212 311 F CB -0.074 38.732 39.000 -0.324 0.000 0.975 311 F HN -0.166 nan 8.300 nan 0.000 0.476 312 K N 0.069 120.471 120.400 0.002 0.000 2.097 312 K HA -0.118 4.202 4.320 -0.001 0.000 0.206 312 K C 2.070 178.677 176.600 0.010 0.000 1.049 312 K CA 1.505 57.779 56.287 -0.022 0.000 0.933 312 K CB -0.206 32.361 32.500 0.111 0.000 0.717 312 K HN 0.348 nan 8.250 nan 0.000 0.442 313 S N 0.863 116.603 115.700 0.066 0.000 2.354 313 S HA -0.079 4.391 4.470 -0.001 0.000 0.200 313 S C 1.061 175.725 174.600 0.106 0.000 1.055 313 S CA 0.221 58.497 58.200 0.127 0.000 1.077 313 S CB -0.528 62.812 63.200 0.233 0.000 0.992 313 S HN 0.056 nan 8.310 nan 0.000 0.423 314 S N 2.237 117.980 115.700 0.072 0.000 3.173 314 S HA -0.079 4.391 4.470 -0.001 0.000 0.206 314 S C 0.460 175.030 174.600 -0.050 0.000 0.495 314 S CA 0.569 58.651 58.200 -0.197 0.000 1.867 314 S CB -1.006 61.837 63.200 -0.594 0.000 0.964 314 S HN 0.451 nan 8.310 nan 0.000 0.485 315 K N -0.864 119.584 120.400 0.080 0.000 3.456 315 K HA -0.260 4.060 4.320 -0.001 0.000 0.313 315 K C 0.452 177.034 176.600 -0.030 0.000 1.252 315 K CA 1.710 58.018 56.287 0.036 0.000 0.991 315 K CB -1.968 30.552 32.500 0.032 0.000 1.259 315 K HN 0.566 nan 8.250 nan 0.000 0.420 316 F N 0.077 119.900 119.950 -0.211 0.000 2.748 316 F HA 0.168 4.695 4.527 -0.001 0.000 0.299 316 F C 2.048 177.678 175.800 -0.284 0.000 1.154 316 F CA 0.982 58.786 58.000 -0.326 0.000 1.446 316 F CB -0.108 38.522 39.000 -0.617 0.000 1.112 316 F HN 0.127 nan 8.300 nan 0.000 0.584 317 G N -0.093 108.699 108.800 -0.012 0.000 2.446 317 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.217 317 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.217 317 G C 1.730 176.585 174.900 -0.075 0.000 1.168 317 G CA 1.306 46.396 45.100 -0.017 0.000 0.771 317 G HN 0.463 nan 8.290 nan 0.000 0.551 318 C N -0.297 118.944 119.300 -0.099 0.000 2.462 318 C HA 0.182 4.642 4.460 -0.001 0.000 0.278 318 C C 1.927 176.781 174.990 -0.227 0.000 1.253 318 C CA -0.156 58.787 59.018 -0.124 0.000 1.713 318 C CB -0.664 27.018 27.740 -0.096 0.000 2.049 318 C HN 0.304 nan 8.230 nan 0.000 0.477 319 R N 2.310 122.585 120.500 -0.375 0.000 4.154 319 R HA -0.005 4.334 4.340 -0.001 0.000 0.186 319 R C 1.003 176.732 176.300 -0.951 0.000 1.750 319 R CA 0.138 55.866 56.100 -0.620 0.000 1.431 319 R CB -0.788 29.070 30.300 -0.736 0.000 1.383 319 R HN 0.620 nan 8.270 nan 0.000 0.788 320 D N 1.881 121.999 120.400 -0.469 0.000 2.097 320 D HA -0.083 4.557 4.640 -0.001 0.000 0.197 320 D C -0.996 175.159 176.300 -0.242 0.000 0.984 320 D CA 0.581 54.413 54.000 -0.279 0.000 0.826 320 D CB -0.288 40.452 40.800 -0.101 0.000 0.973 320 D HN 0.181 nan 8.370 nan 0.000 0.460 321 P HA -0.219 nan 4.420 nan 0.000 0.234 321 P C 0.369 177.669 177.300 -0.001 0.000 1.128 321 P CA 1.097 64.153 63.100 -0.075 0.000 0.920 321 P CB 0.015 31.673 31.700 -0.069 0.000 0.726 322 V N -0.987 118.957 119.914 0.051 0.000 2.398 322 V HA 0.399 4.518 4.120 -0.001 0.000 0.282 322 V C 0.134 176.307 176.094 0.132 0.000 1.014 322 V CA -0.756 61.600 62.300 0.094 0.000 0.838 322 V CB 0.472 32.360 31.823 0.107 0.000 1.018 322 V HN 0.135 nan 8.190 nan 0.000 0.432 323 R N 3.071 123.645 120.500 0.124 0.000 4.000 323 R HA -0.169 4.171 4.340 -0.001 0.000 0.348 323 R C 0.531 176.923 176.300 0.153 0.000 1.204 323 R CA 1.056 57.254 56.100 0.164 0.000 0.987 323 R CB -3.382 27.069 30.300 0.252 0.000 1.446 323 R HN 1.893 nan 8.270 nan 0.000 0.555 324 T N -1.511 113.127 114.554 0.140 0.000 3.247 324 T HA -0.215 4.134 4.350 -0.001 0.000 0.434 324 T C 0.148 174.979 174.700 0.217 0.000 0.770 324 T CA 0.760 62.991 62.100 0.218 0.000 2.236 324 T CB -1.079 67.862 68.868 0.122 0.000 1.678 324 T HN 0.414 nan 8.240 nan 0.000 0.645 325 N N 0.246 119.155 118.700 0.348 0.000 2.518 325 N HA 0.418 5.158 4.740 -0.001 0.000 0.266 325 N C 1.028 176.633 175.510 0.159 0.000 1.196 325 N CA -1.025 52.144 53.050 0.197 0.000 0.947 325 N CB 0.192 38.834 38.487 0.258 0.000 1.098 325 N HN 0.313 nan 8.380 nan 0.000 0.450 326 F N 0.501 120.571 119.950 0.201 0.000 2.333 326 F HA -0.118 4.408 4.527 -0.001 0.000 0.300 326 F C 2.014 177.849 175.800 0.058 0.000 1.083 326 F CA 0.610 58.590 58.000 -0.032 0.000 1.395 326 F CB -0.097 38.814 39.000 -0.148 0.000 1.056 326 F HN 0.497 nan 8.300 nan 0.000 0.529 327 D N 0.300 120.839 120.400 0.232 0.000 2.133 327 D HA -0.214 4.425 4.640 -0.001 0.000 0.192 327 D C 2.265 178.676 176.300 0.186 0.000 1.001 327 D CA 1.720 55.831 54.000 0.185 0.000 0.844 327 D CB -0.260 40.645 40.800 0.176 0.000 0.944 327 D HN 0.295 nan 8.370 nan 0.000 0.447 328 A N -0.540 122.438 122.820 0.263 0.000 2.169 328 A HA -0.023 4.297 4.320 -0.001 0.000 0.212 328 A C 1.851 179.528 177.584 0.154 0.000 1.153 328 A CA 0.003 52.209 52.037 0.283 0.000 0.756 328 A CB -0.617 18.721 19.000 0.563 0.000 0.813 328 A HN 0.189 nan 8.150 nan 0.000 0.471 329 F N 2.031 121.882 119.950 -0.164 0.000 2.095 329 F HA -0.103 4.424 4.527 -0.001 0.000 0.298 329 F C -0.369 175.313 175.800 -0.197 0.000 1.104 329 F CA 2.322 60.024 58.000 -0.497 0.000 1.232 329 F CB -0.412 38.258 39.000 -0.550 0.000 0.987 329 F HN 0.207 nan 8.300 nan 0.000 0.475 330 P HA -0.127 nan 4.420 nan 0.000 0.222 330 P C 0.536 177.851 177.300 0.025 0.000 1.147 330 P CA 1.517 64.659 63.100 0.071 0.000 0.790 330 P CB -0.125 31.627 31.700 0.087 0.000 0.780 331 D N 0.021 120.442 120.400 0.036 0.000 2.234 331 D HA -0.057 4.583 4.640 -0.001 0.000 0.205 331 D C 1.609 177.918 176.300 0.015 0.000 0.962 331 D CA 0.972 54.997 54.000 0.041 0.000 0.855 331 D CB 0.029 40.879 40.800 0.082 0.000 0.951 331 D HN 0.134 nan 8.370 nan 0.000 0.500 332 K N -0.274 120.110 120.400 -0.027 0.000 2.352 332 K HA 0.169 4.489 4.320 -0.001 0.000 0.194 332 K C 0.008 176.519 176.600 -0.149 0.000 1.038 332 K CA 0.196 56.441 56.287 -0.070 0.000 1.023 332 K CB 1.077 33.562 32.500 -0.026 0.000 0.840 332 K HN -0.080 nan 8.250 nan 0.000 0.519 333 V N -0.248 119.534 119.914 -0.220 0.000 2.971 333 V HA 0.765 4.885 4.120 -0.001 0.000 0.309 333 V C -1.381 174.683 176.094 -0.051 0.000 1.130 333 V CA -1.470 60.721 62.300 -0.182 0.000 0.964 333 V CB 1.978 33.503 31.823 -0.496 0.000 1.029 333 V HN -0.023 nan 8.190 nan 0.000 0.427 334 A N 4.334 127.164 122.820 0.017 0.000 2.385 334 A HA 0.871 5.191 4.320 -0.001 0.000 0.290 334 A C -1.027 176.601 177.584 0.073 0.000 1.094 334 A CA -0.364 51.699 52.037 0.043 0.000 0.729 334 A CB 0.816 19.763 19.000 -0.089 0.000 1.194 334 A HN 0.753 nan 8.150 nan 0.000 0.442 335 I N 1.973 122.615 120.570 0.120 0.000 2.359 335 I HA 0.274 4.443 4.170 -0.001 0.000 0.294 335 I C -0.238 175.964 176.117 0.141 0.000 0.987 335 I CA -0.639 60.731 61.300 0.116 0.000 1.225 335 I CB 1.831 39.870 38.000 0.065 0.000 1.366 335 I HN 0.527 nan 8.210 nan 0.000 0.466 336 Q N 5.974 125.866 119.800 0.154 0.000 2.398 336 Q HA 0.314 4.654 4.340 -0.001 0.000 0.251 336 Q C -0.953 175.080 176.000 0.055 0.000 0.999 336 Q CA -1.025 54.911 55.803 0.222 0.000 0.874 336 Q CB 1.327 30.257 28.738 0.321 0.000 1.215 336 Q HN 0.384 nan 8.270 nan 0.000 0.470 337 L N 3.806 125.082 121.223 0.088 0.000 2.600 337 L HA 0.071 4.411 4.340 -0.001 0.000 0.278 337 L C 0.508 177.422 176.870 0.075 0.000 1.139 337 L CA 0.169 55.050 54.840 0.068 0.000 0.933 337 L CB -0.560 41.561 42.059 0.104 0.000 1.266 337 L HN 0.351 nan 8.230 nan 0.000 0.471 338 N N 4.620 123.290 118.700 -0.051 0.000 2.415 338 N HA 0.094 4.833 4.740 -0.001 0.000 0.250 338 N C 0.098 175.717 175.510 0.182 0.000 1.127 338 N CA 0.456 53.540 53.050 0.058 0.000 0.945 338 N CB 0.037 38.456 38.487 -0.114 0.000 1.196 338 N HN 0.606 nan 8.380 nan 0.000 0.499 339 D N 0.358 120.934 120.400 0.293 0.000 4.259 339 D HA -0.204 4.435 4.640 -0.001 0.000 0.290 339 D C 0.031 176.403 176.300 0.119 0.000 2.199 339 D CA 1.343 55.491 54.000 0.247 0.000 1.194 339 D CB -0.475 40.329 40.800 0.007 0.000 1.003 339 D HN 0.526 nan 8.370 nan 0.000 1.204 340 T N -1.740 112.753 114.554 -0.102 0.000 3.129 340 T HA 0.097 4.447 4.350 -0.001 0.000 0.251 340 T C 1.447 176.097 174.700 -0.084 0.000 1.117 340 T CA 1.209 63.219 62.100 -0.151 0.000 1.034 340 T CB -0.369 68.412 68.868 -0.144 0.000 0.968 340 T HN 0.406 nan 8.240 nan 0.000 0.526 341 H N 1.985 121.124 119.070 0.115 0.000 2.363 341 H HA 0.070 4.626 4.556 -0.001 0.000 0.301 341 H C -0.581 174.820 175.328 0.122 0.000 1.074 341 H CA 0.657 56.792 56.048 0.146 0.000 1.354 341 H CB -1.562 28.290 29.762 0.150 0.000 1.397 341 H HN 0.330 nan 8.280 nan 0.000 0.516 342 P HA -0.127 nan 4.420 nan 0.000 0.229 342 P C 1.252 178.586 177.300 0.057 0.000 1.150 342 P CA 1.451 64.622 63.100 0.118 0.000 0.765 342 P CB 0.020 31.772 31.700 0.087 0.000 0.783 343 S N -0.233 115.479 115.700 0.019 0.000 2.402 343 S HA -0.184 4.286 4.470 -0.001 0.000 0.233 343 S C 1.722 176.314 174.600 -0.014 0.000 1.030 343 S CA 1.179 59.352 58.200 -0.045 0.000 1.003 343 S CB -1.680 61.464 63.200 -0.093 0.000 0.813 343 S HN 0.191 nan 8.310 nan 0.000 0.477 344 L N 1.402 122.635 121.223 0.017 0.000 2.549 344 L HA -0.004 4.336 4.340 -0.001 0.000 0.230 344 L C 2.861 179.757 176.870 0.044 0.000 1.162 344 L CA 0.504 55.356 54.840 0.019 0.000 0.834 344 L CB -0.993 41.060 42.059 -0.011 0.000 0.947 344 L HN 0.428 nan 8.230 nan 0.000 0.452 345 A N 0.767 123.597 122.820 0.017 0.000 1.997 345 A HA -0.231 4.089 4.320 -0.001 0.000 0.221 345 A C 2.182 179.751 177.584 -0.024 0.000 1.172 345 A CA 1.805 53.836 52.037 -0.011 0.000 0.645 345 A CB -0.453 18.534 19.000 -0.022 0.000 0.813 345 A HN 0.411 nan 8.150 nan 0.000 0.454 346 I N 0.020 120.580 120.570 -0.018 0.000 2.185 346 I HA -0.087 4.083 4.170 -0.001 0.000 0.235 346 I C -0.357 175.774 176.117 0.024 0.000 1.069 346 I CA 1.118 62.407 61.300 -0.017 0.000 1.354 346 I CB -0.923 37.073 38.000 -0.007 0.000 1.093 346 I HN 0.195 nan 8.210 nan 0.000 0.411 347 P HA -0.199 nan 4.420 nan 0.000 0.223 347 P C 1.123 178.456 177.300 0.055 0.000 1.144 347 P CA 1.578 64.716 63.100 0.063 0.000 0.783 347 P CB 0.076 31.842 31.700 0.111 0.000 0.771 348 E N 0.348 120.629 120.200 0.135 0.000 2.051 348 E HA -0.098 4.251 4.350 -0.001 0.000 0.189 348 E C 1.970 178.543 176.600 -0.044 0.000 0.979 348 E CA 0.490 56.980 56.400 0.150 0.000 0.803 348 E CB -1.314 28.535 29.700 0.249 0.000 0.761 348 E HN 0.052 nan 8.360 nan 0.000 0.451 349 L N 0.047 121.212 121.223 -0.096 0.000 2.079 349 L HA -0.118 4.221 4.340 -0.001 0.000 0.210 349 L C 2.059 178.777 176.870 -0.253 0.000 1.081 349 L CA 1.587 56.303 54.840 -0.206 0.000 0.752 349 L CB -0.326 41.601 42.059 -0.219 0.000 0.896 349 L HN 0.200 nan 8.230 nan 0.000 0.433 350 M N -1.077 118.404 119.600 -0.198 0.000 2.374 350 M HA -0.136 4.344 4.480 -0.001 0.000 0.264 350 M C 2.358 178.510 176.300 -0.246 0.000 1.067 350 M CA 1.297 56.448 55.300 -0.249 0.000 1.103 350 M CB -1.069 31.409 32.600 -0.202 0.000 1.402 350 M HN 0.358 nan 8.290 nan 0.000 0.444 351 R N -0.174 120.193 120.500 -0.221 0.000 2.080 351 R HA -0.025 4.315 4.340 -0.001 0.000 0.222 351 R C 2.035 178.217 176.300 -0.196 0.000 1.107 351 R CA 0.794 56.755 56.100 -0.231 0.000 0.980 351 R CB 0.106 30.218 30.300 -0.314 0.000 0.879 351 R HN 0.127 nan 8.270 nan 0.000 0.439 352 V N 1.507 121.305 119.914 -0.193 0.000 2.295 352 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 352 V C 2.337 178.261 176.094 -0.284 0.000 1.049 352 V CA 1.616 63.799 62.300 -0.195 0.000 1.024 352 V CB -0.320 31.390 31.823 -0.187 0.000 0.648 352 V HN 0.340 nan 8.190 nan 0.000 0.447 353 L N -0.965 120.023 121.223 -0.391 0.000 2.056 353 L HA -0.121 4.219 4.340 -0.001 0.000 0.207 353 L C 2.376 179.026 176.870 -0.368 0.000 1.078 353 L CA 1.044 55.566 54.840 -0.530 0.000 0.749 353 L CB -0.482 41.199 42.059 -0.630 0.000 0.901 353 L HN 0.196 nan 8.230 nan 0.000 0.433 354 V N -0.392 119.358 119.914 -0.274 0.000 2.283 354 V HA -0.196 3.924 4.120 -0.001 0.000 0.239 354 V C 2.041 178.063 176.094 -0.120 0.000 1.035 354 V CA 1.772 63.967 62.300 -0.176 0.000 1.018 354 V CB -0.252 31.479 31.823 -0.154 0.000 0.658 354 V HN 0.382 nan 8.190 nan 0.000 0.459 355 D N -0.172 120.157 120.400 -0.118 0.000 2.110 355 D HA -0.073 4.566 4.640 -0.001 0.000 0.202 355 D C 2.010 178.264 176.300 -0.076 0.000 0.975 355 D CA 0.978 54.927 54.000 -0.085 0.000 0.839 355 D CB -0.144 40.603 40.800 -0.087 0.000 0.996 355 D HN 0.162 nan 8.370 nan 0.000 0.464 356 L N 1.323 122.490 121.223 -0.092 0.000 2.023 356 L HA -0.073 4.266 4.340 -0.001 0.000 0.205 356 L C 2.228 179.063 176.870 -0.057 0.000 1.073 356 L CA 1.481 56.280 54.840 -0.069 0.000 0.745 356 L CB -0.838 41.176 42.059 -0.075 0.000 0.900 356 L HN -0.063 nan 8.230 nan 0.000 0.435 357 E N -0.251 119.888 120.200 -0.101 0.000 2.002 357 E HA -0.069 4.281 4.350 -0.001 0.000 0.196 357 E C 0.806 177.381 176.600 -0.043 0.000 0.974 357 E CA 0.662 57.024 56.400 -0.064 0.000 0.853 357 E CB 0.064 29.653 29.700 -0.184 0.000 0.808 357 E HN 0.083 nan 8.360 nan 0.000 0.492 358 R N -1.188 119.266 120.500 -0.076 0.000 2.626 358 R HA 0.115 4.454 4.340 -0.001 0.000 0.030 358 R C -1.063 175.213 176.300 -0.040 0.000 0.498 358 R CA 0.045 56.121 56.100 -0.039 0.000 0.751 358 R CB -1.253 29.048 30.300 0.003 0.000 0.793 358 R HN 0.036 nan 8.270 nan 0.000 0.604 359 L N 2.029 123.193 121.223 -0.098 0.000 2.426 359 L HA 0.250 4.590 4.340 -0.001 0.000 0.271 359 L C 0.689 177.542 176.870 -0.028 0.000 1.169 359 L CA -0.245 54.555 54.840 -0.066 0.000 0.836 359 L CB 0.367 42.339 42.059 -0.145 0.000 1.112 359 L HN 0.245 nan 8.230 nan 0.000 0.465 360 D N 0.210 120.628 120.400 0.029 0.000 2.361 360 D HA -0.134 4.505 4.640 -0.001 0.000 0.239 360 D C 0.696 177.067 176.300 0.119 0.000 1.200 360 D CA -0.252 53.800 54.000 0.088 0.000 0.915 360 D CB 0.576 41.437 40.800 0.102 0.000 1.170 360 D HN 0.520 nan 8.370 nan 0.000 0.444 361 W N 0.123 121.423 121.300 0.001 0.000 2.342 361 W HA -0.134 4.526 4.660 -0.001 0.000 0.297 361 W C 1.410 177.973 176.519 0.073 0.000 1.213 361 W CA 1.557 58.910 57.345 0.012 0.000 1.251 361 W CB 0.107 29.557 29.460 -0.017 0.000 1.136 361 W HN 0.427 nan 8.180 nan 0.000 0.526 362 D N -0.625 119.978 120.400 0.337 0.000 2.213 362 D HA -0.119 4.521 4.640 -0.001 0.000 0.205 362 D C 1.838 178.240 176.300 0.170 0.000 0.961 362 D CA 0.992 55.176 54.000 0.308 0.000 0.853 362 D CB -0.214 40.752 40.800 0.277 0.000 0.967 362 D HN 0.063 nan 8.370 nan 0.000 0.496 363 K N 1.660 122.120 120.400 0.100 0.000 2.148 363 K HA -0.013 4.307 4.320 -0.001 0.000 0.204 363 K C 1.795 178.381 176.600 -0.022 0.000 1.050 363 K CA 1.097 57.414 56.287 0.051 0.000 0.942 363 K CB -0.283 32.245 32.500 0.048 0.000 0.724 363 K HN -0.013 nan 8.250 nan 0.000 0.446 364 A N 0.080 122.850 122.820 -0.084 0.000 1.873 364 A HA -0.144 4.176 4.320 -0.001 0.000 0.215 364 A C 2.182 179.643 177.584 -0.204 0.000 1.186 364 A CA 1.260 53.165 52.037 -0.220 0.000 0.616 364 A CB -1.075 17.735 19.000 -0.316 0.000 0.823 364 A HN 0.662 nan 8.150 nan 0.000 0.442 365 W N 0.814 121.893 121.300 -0.369 0.000 2.467 365 W HA -0.082 4.577 4.660 -0.001 0.000 0.275 365 W C 1.864 178.311 176.519 -0.120 0.000 1.239 365 W CA 1.471 58.623 57.345 -0.321 0.000 1.266 365 W CB 0.011 29.255 29.460 -0.361 0.000 1.112 365 W HN 0.613 nan 8.180 nan 0.000 0.576 366 E N 0.342 120.512 120.200 -0.050 0.000 2.023 366 E HA -0.231 4.119 4.350 -0.001 0.000 0.196 366 E C 2.034 178.552 176.600 -0.137 0.000 1.003 366 E CA 2.124 58.484 56.400 -0.067 0.000 0.809 366 E CB -0.421 29.294 29.700 0.024 0.000 0.755 366 E HN 0.018 nan 8.360 nan 0.000 0.449 367 V N 1.109 120.951 119.914 -0.120 0.000 2.282 367 V HA -0.326 3.794 4.120 -0.001 0.000 0.249 367 V C 2.483 178.477 176.094 -0.167 0.000 1.057 367 V CA 2.389 64.622 62.300 -0.111 0.000 1.032 367 V CB -0.998 30.728 31.823 -0.160 0.000 0.645 367 V HN 0.410 nan 8.190 nan 0.000 0.447 368 T N -0.119 114.249 114.554 -0.309 0.000 2.708 368 T HA -0.162 4.188 4.350 -0.001 0.000 0.266 368 T C 1.916 176.403 174.700 -0.354 0.000 1.037 368 T CA 1.722 63.609 62.100 -0.356 0.000 1.146 368 T CB -0.342 68.231 68.868 -0.490 0.000 0.865 368 T HN 0.309 nan 8.240 nan 0.000 0.435 369 V N 1.385 120.992 119.914 -0.512 0.000 2.358 369 V HA -0.136 3.983 4.120 -0.001 0.000 0.246 369 V C 2.531 178.598 176.094 -0.045 0.000 1.047 369 V CA 1.477 63.552 62.300 -0.375 0.000 1.035 369 V CB -0.517 31.036 31.823 -0.450 0.000 0.658 369 V HN 0.404 nan 8.190 nan 0.000 0.452 370 K N -0.312 120.086 120.400 -0.002 0.000 2.147 370 K HA -0.149 4.170 4.320 -0.001 0.000 0.205 370 K C 2.163 178.904 176.600 0.235 0.000 1.049 370 K CA 1.835 58.191 56.287 0.116 0.000 0.936 370 K CB -0.194 32.322 32.500 0.026 0.000 0.722 370 K HN 0.510 nan 8.250 nan 0.000 0.446 371 T N 0.093 114.734 114.554 0.146 0.000 3.009 371 T HA 0.009 4.358 4.350 -0.001 0.000 0.258 371 T C 1.094 175.879 174.700 0.141 0.000 1.063 371 T CA 0.361 62.561 62.100 0.167 0.000 1.139 371 T CB 0.065 69.044 68.868 0.185 0.000 0.890 371 T HN 0.182 nan 8.240 nan 0.000 0.471 372 C N 1.252 120.569 119.300 0.027 0.000 2.328 372 C HA 0.948 5.408 4.460 -0.001 0.000 0.378 372 C C 0.537 175.434 174.990 -0.156 0.000 1.249 372 C CA -1.114 57.892 59.018 -0.020 0.000 2.204 372 C CB 0.800 28.503 27.740 -0.062 0.000 2.218 372 C HN 0.601 nan 8.230 nan 0.000 0.564 373 A N -0.007 122.776 122.820 -0.062 0.000 2.608 373 A HA 0.708 5.028 4.320 -0.001 0.000 0.292 373 A C -1.867 175.771 177.584 0.091 0.000 1.066 373 A CA -0.331 51.646 52.037 -0.099 0.000 0.676 373 A CB 1.097 20.095 19.000 -0.004 0.000 1.277 373 A HN 1.230 nan 8.150 nan 0.000 0.413 374 Y N 0.795 121.055 120.300 -0.068 0.000 2.354 374 Y HA 0.682 5.232 4.550 -0.001 0.000 0.330 374 Y C -0.498 175.412 175.900 0.018 0.000 1.011 374 Y CA -0.531 57.550 58.100 -0.031 0.000 1.099 374 Y CB 1.607 40.001 38.460 -0.109 0.000 1.179 374 Y HN 0.639 nan 8.280 nan 0.000 0.442 375 T N 6.759 121.278 114.554 -0.057 0.000 2.889 375 T HA 0.253 4.603 4.350 -0.001 0.000 0.291 375 T C -0.625 173.898 174.700 -0.295 0.000 0.995 375 T CA -0.454 61.575 62.100 -0.118 0.000 1.092 375 T CB 0.330 69.294 68.868 0.161 0.000 0.954 375 T HN 0.711 nan 8.240 nan 0.000 0.506 376 N N 0.717 119.220 118.700 -0.329 0.000 2.335 376 N HA 0.281 5.021 4.740 -0.001 0.000 0.304 376 N C -0.687 174.753 175.510 -0.117 0.000 1.135 376 N CA -0.435 52.548 53.050 -0.111 0.000 0.817 376 N CB 1.411 39.874 38.487 -0.039 0.000 1.294 376 N HN 0.640 nan 8.380 nan 0.000 0.497 377 H N -1.011 118.130 119.070 0.117 0.000 3.540 377 H HA 0.201 4.757 4.556 -0.001 0.000 0.259 377 H C -0.479 174.789 175.328 -0.101 0.000 1.197 377 H CA -0.139 55.891 56.048 -0.031 0.000 1.136 377 H CB 0.609 30.377 29.762 0.010 0.000 1.605 377 H HN 0.482 nan 8.280 nan 0.000 0.657 378 T N -1.824 112.802 114.554 0.119 0.000 2.925 378 T HA 0.405 4.754 4.350 -0.001 0.000 0.285 378 T C 0.843 175.602 174.700 0.099 0.000 1.021 378 T CA -0.466 61.683 62.100 0.081 0.000 1.042 378 T CB 2.504 71.443 68.868 0.118 0.000 1.037 378 T HN 0.008 nan 8.240 nan 0.000 0.481 379 V N 0.699 120.634 119.914 0.035 0.000 3.090 379 V HA 0.422 4.541 4.120 -0.001 0.000 0.237 379 V C 0.313 176.408 176.094 0.003 0.000 1.209 379 V CA -0.014 62.318 62.300 0.053 0.000 1.209 379 V CB -0.055 31.794 31.823 0.043 0.000 0.971 379 V HN 0.804 nan 8.190 nan 0.000 0.477 380 I N 2.069 122.629 120.570 -0.018 0.000 2.471 380 I HA 0.327 4.497 4.170 -0.001 0.000 0.286 380 I C -1.502 174.607 176.117 -0.014 0.000 1.079 380 I CA -1.862 59.422 61.300 -0.027 0.000 1.398 380 I CB 1.463 39.434 38.000 -0.049 0.000 1.403 380 I HN 0.144 nan 8.210 nan 0.000 0.530 381 P HA -0.129 nan 4.420 nan 0.000 0.222 381 P C 0.535 177.840 177.300 0.008 0.000 1.147 381 P CA 0.944 64.048 63.100 0.007 0.000 0.790 381 P CB 0.177 31.881 31.700 0.006 0.000 0.780 382 E N -0.758 119.437 120.200 -0.008 0.000 2.533 382 E HA 0.006 4.356 4.350 -0.001 0.000 0.201 382 E C 1.408 177.994 176.600 -0.023 0.000 1.097 382 E CA 0.654 57.044 56.400 -0.017 0.000 0.887 382 E CB -0.612 29.076 29.700 -0.021 0.000 0.855 382 E HN 0.244 nan 8.360 nan 0.000 0.540 383 A N -0.119 122.695 122.820 -0.011 0.000 2.508 383 A HA 0.196 4.515 4.320 -0.001 0.000 0.250 383 A C 0.037 177.624 177.584 0.005 0.000 1.208 383 A CA -0.371 51.660 52.037 -0.009 0.000 0.960 383 A CB 0.481 19.480 19.000 -0.001 0.000 1.099 383 A HN 0.071 nan 8.150 nan 0.000 0.542 384 L N 1.443 122.681 121.223 0.025 0.000 2.319 384 L HA 0.313 4.653 4.340 -0.001 0.000 0.280 384 L C 0.646 177.488 176.870 -0.047 0.000 1.099 384 L CA -0.321 54.546 54.840 0.045 0.000 0.828 384 L CB 0.283 42.420 42.059 0.130 0.000 1.150 384 L HN 0.484 nan 8.230 nan 0.000 0.442 385 E N 3.602 123.747 120.200 -0.092 0.000 2.508 385 E HA 0.065 4.415 4.350 -0.001 0.000 0.266 385 E C -0.447 176.004 176.600 -0.248 0.000 1.010 385 E CA 0.576 56.848 56.400 -0.214 0.000 0.955 385 E CB 0.466 30.066 29.700 -0.167 0.000 0.946 385 E HN 0.426 nan 8.360 nan 0.000 0.454 386 R N 3.325 123.570 120.500 -0.426 0.000 2.508 386 R HA 0.246 4.586 4.340 -0.001 0.000 0.283 386 R C -1.746 174.317 176.300 -0.395 0.000 1.120 386 R CA -0.491 55.429 56.100 -0.300 0.000 0.958 386 R CB 0.897 31.085 30.300 -0.187 0.000 1.215 386 R HN 0.571 nan 8.270 nan 0.000 0.427 387 W N 4.454 125.725 121.300 -0.049 0.000 2.570 387 W HA 0.423 5.083 4.660 -0.000 0.000 0.337 387 W C -1.988 174.495 176.519 -0.060 0.000 1.067 387 W CA -2.274 55.033 57.345 -0.063 0.000 1.229 387 W CB 1.560 30.969 29.460 -0.085 0.000 1.355 387 W HN 0.303 nan 8.180 nan 0.000 0.555 388 P HA -0.110 nan 4.420 nan 0.000 0.263 388 P C 0.877 178.212 177.300 0.058 0.000 1.195 388 P CA 0.320 63.492 63.100 0.119 0.000 0.762 388 P CB 0.664 32.406 31.700 0.070 0.000 0.799 389 V N 2.359 122.332 119.914 0.098 0.000 2.469 389 V HA -0.281 3.839 4.120 -0.001 0.000 0.251 389 V C 1.844 177.965 176.094 0.046 0.000 1.064 389 V CA 2.256 64.590 62.300 0.057 0.000 1.066 389 V CB -1.998 29.898 31.823 0.121 0.000 0.667 389 V HN 0.671 nan 8.190 nan 0.000 0.461 390 H N -0.821 118.275 119.070 0.045 0.000 2.495 390 H HA 0.112 4.667 4.556 -0.001 0.000 0.287 390 H C 1.931 177.273 175.328 0.025 0.000 1.033 390 H CA 1.613 57.684 56.048 0.038 0.000 1.307 390 H CB -0.246 29.543 29.762 0.045 0.000 1.401 390 H HN 0.414 nan 8.280 nan 0.000 0.555 391 L N -0.437 120.433 121.223 -0.588 0.000 2.102 391 L HA -0.029 4.311 4.340 -0.001 0.000 0.202 391 L C 1.773 178.487 176.870 -0.260 0.000 1.076 391 L CA 0.516 55.086 54.840 -0.450 0.000 0.761 391 L CB -0.111 41.731 42.059 -0.361 0.000 0.921 391 L HN 0.332 nan 8.230 nan 0.000 0.444 392 L N -0.071 121.029 121.223 -0.206 0.000 2.217 392 L HA -0.134 4.206 4.340 -0.001 0.000 0.211 392 L C 2.308 179.072 176.870 -0.177 0.000 1.107 392 L CA 1.452 56.159 54.840 -0.221 0.000 0.783 392 L CB -0.553 41.388 42.059 -0.197 0.000 0.919 392 L HN 0.212 nan 8.230 nan 0.000 0.442 393 E N -1.514 118.623 120.200 -0.105 0.000 2.072 393 E HA -0.171 4.179 4.350 -0.001 0.000 0.191 393 E C 1.829 178.429 176.600 -0.000 0.000 0.985 393 E CA 1.575 57.949 56.400 -0.044 0.000 0.801 393 E CB 0.144 29.859 29.700 0.024 0.000 0.750 393 E HN 0.438 nan 8.360 nan 0.000 0.452 394 T N 1.548 116.110 114.554 0.013 0.000 2.590 394 T HA -0.112 4.238 4.350 -0.001 0.000 0.257 394 T C 1.815 176.549 174.700 0.057 0.000 1.080 394 T CA 1.425 63.578 62.100 0.089 0.000 1.180 394 T CB -0.216 68.716 68.868 0.107 0.000 0.865 394 T HN 0.250 nan 8.240 nan 0.000 0.403 395 L N -1.054 120.073 121.223 -0.160 0.000 2.591 395 L HA 0.422 4.762 4.340 -0.001 0.000 0.228 395 L C 0.626 177.402 176.870 -0.157 0.000 1.133 395 L CA 0.443 55.069 54.840 -0.357 0.000 0.880 395 L CB 0.009 41.636 42.059 -0.720 0.000 1.033 395 L HN 0.093 nan 8.230 nan 0.000 0.450 396 L N 1.254 122.365 121.223 -0.186 0.000 3.313 396 L HA 0.383 4.722 4.340 -0.001 0.000 0.320 396 L C -1.527 175.134 176.870 -0.349 0.000 1.304 396 L CA -1.274 53.386 54.840 -0.299 0.000 0.920 396 L CB 0.674 42.452 42.059 -0.467 0.000 1.357 396 L HN -0.101 nan 8.230 nan 0.000 0.602 397 P HA -0.208 nan 4.420 nan 0.000 0.219 397 P C 1.466 178.561 177.300 -0.342 0.000 1.146 397 P CA 1.036 63.987 63.100 -0.249 0.000 0.808 397 P CB 0.418 32.058 31.700 -0.100 0.000 0.779 398 R N -0.382 119.745 120.500 -0.620 0.000 2.090 398 R HA -0.090 4.250 4.340 -0.001 0.000 0.228 398 R C 2.513 178.539 176.300 -0.456 0.000 1.110 398 R CA 1.244 57.010 56.100 -0.558 0.000 0.973 398 R CB -1.232 28.585 30.300 -0.805 0.000 0.869 398 R HN 0.215 nan 8.270 nan 0.000 0.440 399 H N -0.133 118.630 119.070 -0.512 0.000 2.521 399 H HA -0.062 4.494 4.556 -0.001 0.000 0.286 399 H C 1.708 176.850 175.328 -0.310 0.000 1.034 399 H CA 1.338 57.159 56.048 -0.379 0.000 1.278 399 H CB 0.268 29.771 29.762 -0.432 0.000 1.386 399 H HN 0.253 nan 8.280 nan 0.000 0.567 400 L N 0.330 121.414 121.223 -0.232 0.000 2.249 400 L HA -0.102 4.237 4.340 -0.001 0.000 0.207 400 L C 2.026 178.673 176.870 -0.371 0.000 1.090 400 L CA 0.719 55.342 54.840 -0.362 0.000 0.802 400 L CB 0.065 41.885 42.059 -0.398 0.000 0.947 400 L HN 0.218 nan 8.230 nan 0.000 0.453 401 Q N -0.081 119.606 119.800 -0.189 0.000 2.079 401 Q HA -0.177 4.162 4.340 -0.001 0.000 0.200 401 Q C 2.172 178.176 176.000 0.007 0.000 0.974 401 Q CA 1.513 57.300 55.803 -0.026 0.000 0.840 401 Q CB 0.053 28.801 28.738 0.017 0.000 0.898 401 Q HN 0.514 nan 8.270 nan 0.000 0.430 402 I N 0.555 121.101 120.570 -0.041 0.000 2.286 402 I HA -0.276 3.894 4.170 -0.001 0.000 0.248 402 I C 2.172 178.327 176.117 0.063 0.000 1.115 402 I CA 1.094 62.422 61.300 0.047 0.000 1.392 402 I CB -0.301 37.683 38.000 -0.026 0.000 1.065 402 I HN 0.258 nan 8.210 nan 0.000 0.418 403 I N -0.187 120.369 120.570 -0.024 0.000 2.226 403 I HA -0.326 3.844 4.170 -0.001 0.000 0.245 403 I C 2.621 178.785 176.117 0.079 0.000 1.100 403 I CA 1.547 62.838 61.300 -0.014 0.000 1.374 403 I CB -0.462 37.471 38.000 -0.112 0.000 1.057 403 I HN 0.156 nan 8.210 nan 0.000 0.413 404 Y N 1.057 121.365 120.300 0.015 0.000 2.070 404 Y HA -0.300 4.249 4.550 -0.001 0.000 0.280 404 Y C 2.664 178.549 175.900 -0.024 0.000 1.148 404 Y CA 1.711 59.813 58.100 0.003 0.000 1.125 404 Y CB -1.084 37.372 38.460 -0.007 0.000 0.975 404 Y HN 0.195 nan 8.280 nan 0.000 0.492 405 E N 0.366 120.634 120.200 0.114 0.000 2.153 405 E HA -0.149 4.200 4.350 -0.001 0.000 0.194 405 E C 2.130 178.660 176.600 -0.117 0.000 0.988 405 E CA 1.034 57.387 56.400 -0.078 0.000 0.811 405 E CB -0.608 29.000 29.700 -0.152 0.000 0.746 405 E HN 0.498 nan 8.360 nan 0.000 0.466 406 I N 0.537 121.148 120.570 0.067 0.000 2.163 406 I HA -0.324 3.846 4.170 -0.001 0.000 0.243 406 I C 2.268 178.388 176.117 0.004 0.000 1.085 406 I CA 1.533 62.828 61.300 -0.008 0.000 1.347 406 I CB -0.341 37.638 38.000 -0.035 0.000 1.044 406 I HN 0.233 nan 8.210 nan 0.000 0.408 407 N N 0.560 119.314 118.700 0.090 0.000 2.069 407 N HA -0.284 4.456 4.740 -0.001 0.000 0.191 407 N C 1.875 177.465 175.510 0.134 0.000 1.031 407 N CA 1.624 54.780 53.050 0.177 0.000 0.852 407 N CB -0.176 38.433 38.487 0.204 0.000 1.018 407 N HN 0.314 nan 8.380 nan 0.000 0.423 408 Q N 0.093 119.911 119.800 0.031 0.000 2.061 408 Q HA -0.170 4.170 4.340 -0.001 0.000 0.204 408 Q C 1.987 177.966 176.000 -0.034 0.000 0.984 408 Q CA 1.400 57.187 55.803 -0.026 0.000 0.846 408 Q CB -0.037 28.645 28.738 -0.093 0.000 0.902 408 Q HN 0.403 nan 8.270 nan 0.000 0.421 409 R N -0.614 119.832 120.500 -0.090 0.000 2.096 409 R HA -0.133 4.207 4.340 -0.001 0.000 0.235 409 R C 2.220 178.562 176.300 0.070 0.000 1.127 409 R CA 1.210 57.258 56.100 -0.087 0.000 0.968 409 R CB -0.409 29.740 30.300 -0.252 0.000 0.861 409 R HN 0.308 nan 8.270 nan 0.000 0.440 410 F N 1.517 121.464 119.950 -0.005 0.000 2.186 410 F HA -0.073 4.453 4.527 -0.001 0.000 0.299 410 F C 1.878 177.733 175.800 0.091 0.000 1.090 410 F CA 1.184 59.240 58.000 0.093 0.000 1.307 410 F CB -0.183 38.908 39.000 0.151 0.000 1.019 410 F HN -0.117 nan 8.300 nan 0.000 0.489 411 L N -0.273 120.955 121.223 0.009 0.000 2.156 411 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 411 L C 1.845 178.656 176.870 -0.097 0.000 1.095 411 L CA 1.239 56.021 54.840 -0.097 0.000 0.770 411 L CB -0.780 41.286 42.059 0.011 0.000 0.914 411 L HN 0.140 nan 8.230 nan 0.000 0.439 412 N N -0.225 118.439 118.700 -0.059 0.000 2.289 412 N HA -0.145 4.595 4.740 -0.001 0.000 0.184 412 N C 1.874 177.349 175.510 -0.059 0.000 1.016 412 N CA 0.741 53.759 53.050 -0.054 0.000 0.872 412 N CB 0.024 38.485 38.487 -0.045 0.000 0.973 412 N HN 0.232 nan 8.380 nan 0.000 0.433 413 R N 0.259 120.717 120.500 -0.071 0.000 2.075 413 R HA -0.023 4.316 4.340 -0.001 0.000 0.232 413 R C 1.970 178.194 176.300 -0.126 0.000 1.126 413 R CA 0.879 56.939 56.100 -0.066 0.000 0.963 413 R CB -0.347 29.939 30.300 -0.024 0.000 0.858 413 R HN 0.121 nan 8.270 nan 0.000 0.435 414 V N 0.985 120.777 119.914 -0.203 0.000 2.295 414 V HA -0.226 3.893 4.120 -0.001 0.000 0.246 414 V C 2.439 178.524 176.094 -0.015 0.000 1.049 414 V CA 2.028 64.252 62.300 -0.126 0.000 1.024 414 V CB -0.696 31.007 31.823 -0.200 0.000 0.648 414 V HN 0.381 nan 8.190 nan 0.000 0.447 415 A N -0.140 122.658 122.820 -0.037 0.000 1.969 415 A HA 0.030 4.350 4.320 -0.001 0.000 0.218 415 A C 2.294 179.853 177.584 -0.041 0.000 1.169 415 A CA 1.646 53.675 52.037 -0.013 0.000 0.635 415 A CB -0.572 18.414 19.000 -0.023 0.000 0.810 415 A HN 0.570 nan 8.150 nan 0.000 0.445 416 A N -0.790 121.989 122.820 -0.068 0.000 2.168 416 A HA 0.393 4.713 4.320 -0.001 0.000 0.215 416 A C 2.159 179.654 177.584 -0.147 0.000 1.152 416 A CA 1.518 53.506 52.037 -0.082 0.000 0.716 416 A CB -0.456 18.506 19.000 -0.062 0.000 0.794 416 A HN 0.796 nan 8.150 nan 0.000 0.465 417 A N -0.737 121.939 122.820 -0.239 0.000 1.881 417 A HA 0.464 4.784 4.320 -0.001 0.000 0.210 417 A C 0.371 177.580 177.584 -0.625 0.000 1.239 417 A CA 0.364 52.092 52.037 -0.516 0.000 0.629 417 A CB -0.096 18.407 19.000 -0.829 0.000 0.906 417 A HN 0.389 nan 8.150 nan 0.000 0.460 418 F N 1.324 121.234 119.950 -0.067 0.000 2.319 418 F HA 0.400 4.926 4.527 -0.000 0.000 0.356 418 F C -2.652 173.114 175.800 -0.056 0.000 1.100 418 F CA -2.956 55.007 58.000 -0.061 0.000 1.220 418 F CB 0.415 39.370 39.000 -0.074 0.000 1.506 418 F HN 0.006 nan 8.300 nan 0.000 0.512 419 P HA 0.174 nan 4.420 nan 0.000 0.268 419 P C 1.053 178.378 177.300 0.042 0.000 1.205 419 P CA 0.676 63.792 63.100 0.027 0.000 0.771 419 P CB 1.024 32.722 31.700 -0.002 0.000 0.858 420 G N 1.438 110.252 108.800 0.024 0.000 2.284 420 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.261 420 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.261 420 G C 0.262 175.170 174.900 0.014 0.000 0.997 420 G CA 0.240 45.349 45.100 0.015 0.000 0.621 420 G HN 0.667 nan 8.290 nan 0.000 0.534 421 D N 0.420 120.839 120.400 0.031 0.000 2.348 421 D HA 0.461 5.101 4.640 -0.001 0.000 0.253 421 D C 1.405 177.695 176.300 -0.015 0.000 1.161 421 D CA 0.303 54.300 54.000 -0.006 0.000 0.876 421 D CB 1.503 42.278 40.800 -0.041 0.000 1.160 421 D HN 0.065 nan 8.370 nan 0.000 0.459 422 V N 3.494 123.393 119.914 -0.026 0.000 2.690 422 V HA -0.070 4.049 4.120 -0.001 0.000 0.240 422 V C 1.836 177.910 176.094 -0.033 0.000 1.078 422 V CA 0.684 62.970 62.300 -0.024 0.000 1.102 422 V CB -0.276 31.536 31.823 -0.018 0.000 0.800 422 V HN 0.559 nan 8.190 nan 0.000 0.479 423 D N -0.013 120.362 120.400 -0.042 0.000 2.310 423 D HA -0.160 4.480 4.640 -0.001 0.000 0.212 423 D C 2.228 178.490 176.300 -0.064 0.000 0.965 423 D CA 0.900 54.874 54.000 -0.043 0.000 0.879 423 D CB 0.045 40.819 40.800 -0.044 0.000 0.921 423 D HN 0.189 nan 8.370 nan 0.000 0.510 424 R N -0.433 120.008 120.500 -0.098 0.000 2.075 424 R HA 0.007 4.346 4.340 -0.001 0.000 0.226 424 R C 2.036 178.277 176.300 -0.099 0.000 1.114 424 R CA 0.394 56.405 56.100 -0.148 0.000 0.972 424 R CB -0.076 30.080 30.300 -0.240 0.000 0.869 424 R HN 0.216 nan 8.270 nan 0.000 0.437 425 L N 1.299 122.486 121.223 -0.060 0.000 2.127 425 L HA -0.209 4.131 4.340 -0.001 0.000 0.211 425 L C 2.221 179.096 176.870 0.008 0.000 1.089 425 L CA 1.860 56.683 54.840 -0.028 0.000 0.757 425 L CB -0.669 41.380 42.059 -0.018 0.000 0.899 425 L HN 0.361 nan 8.230 nan 0.000 0.434 426 R N -1.273 119.230 120.500 0.005 0.000 2.297 426 R HA 0.024 4.364 4.340 -0.001 0.000 0.197 426 R C 1.991 178.325 176.300 0.057 0.000 0.943 426 R CA 0.190 56.312 56.100 0.037 0.000 1.038 426 R CB -0.154 30.159 30.300 0.023 0.000 0.957 426 R HN 0.183 nan 8.270 nan 0.000 0.484 427 R N 0.212 120.725 120.500 0.021 0.000 2.112 427 R HA 0.221 4.561 4.340 -0.001 0.000 0.216 427 R C 1.776 178.128 176.300 0.087 0.000 1.080 427 R CA 1.025 57.150 56.100 0.041 0.000 0.996 427 R CB -0.037 30.239 30.300 -0.040 0.000 0.902 427 R HN 0.240 nan 8.270 nan 0.000 0.449 428 M N 0.445 120.047 119.600 0.003 0.000 2.514 428 M HA 0.032 4.511 4.480 -0.001 0.000 0.258 428 M C 0.989 177.570 176.300 0.469 0.000 1.119 428 M CA 0.130 55.446 55.300 0.026 0.000 1.111 428 M CB 0.336 32.810 32.600 -0.211 0.000 1.390 428 M HN -0.047 nan 8.290 nan 0.000 0.475 429 S N 0.351 116.272 115.700 0.368 0.000 2.540 429 S HA -0.066 4.403 4.470 -0.001 0.000 0.272 429 S C 1.117 175.983 174.600 0.443 0.000 1.357 429 S CA 0.147 58.572 58.200 0.375 0.000 1.011 429 S CB 0.508 63.845 63.200 0.229 0.000 0.852 429 S HN 0.350 nan 8.310 nan 0.000 0.535 430 L N 2.153 123.564 121.223 0.313 0.000 2.202 430 L HA 0.175 4.514 4.340 -0.001 0.000 0.205 430 L C 0.334 177.286 176.870 0.137 0.000 1.083 430 L CA 0.195 55.155 54.840 0.200 0.000 0.790 430 L CB -0.169 41.988 42.059 0.164 0.000 0.942 430 L HN 0.368 nan 8.230 nan 0.000 0.452 431 V N 0.691 120.710 119.914 0.175 0.000 2.546 431 V HA 0.136 4.255 4.120 -0.001 0.000 0.284 431 V C -0.056 176.111 176.094 0.122 0.000 1.050 431 V CA -0.384 62.009 62.300 0.156 0.000 0.981 431 V CB 1.413 33.357 31.823 0.201 0.000 0.990 431 V HN 0.178 nan 8.190 nan 0.000 0.474 432 E N 3.114 123.369 120.200 0.092 0.000 2.222 432 E HA 0.451 4.801 4.350 -0.001 0.000 0.267 432 E C -1.131 175.509 176.600 0.067 0.000 0.884 432 E CA -0.696 55.749 56.400 0.075 0.000 0.764 432 E CB 1.402 31.130 29.700 0.047 0.000 1.169 432 E HN 0.701 nan 8.360 nan 0.000 0.413 433 E N 2.103 122.338 120.200 0.057 0.000 2.195 433 E HA 0.614 4.963 4.350 -0.001 0.000 0.271 433 E C -0.168 176.454 176.600 0.036 0.000 0.923 433 E CA -0.835 55.593 56.400 0.046 0.000 0.790 433 E CB 2.072 31.794 29.700 0.038 0.000 1.155 433 E HN 0.745 nan 8.360 nan 0.000 0.402 434 G N 0.445 109.263 108.800 0.031 0.000 2.562 434 G HA2 0.494 4.453 3.960 -0.001 0.000 0.190 434 G HA3 0.494 4.453 3.960 -0.001 0.000 0.190 434 G C -1.465 173.447 174.900 0.020 0.000 1.196 434 G CA -0.079 45.035 45.100 0.022 0.000 0.986 434 G HN 0.529 nan 8.290 nan 0.000 0.512 435 A N -0.372 122.458 122.820 0.016 0.000 2.301 435 A HA 0.710 5.030 4.320 -0.001 0.000 0.298 435 A C 0.319 177.917 177.584 0.024 0.000 1.185 435 A CA 0.344 52.389 52.037 0.014 0.000 0.830 435 A CB 0.172 19.177 19.000 0.007 0.000 1.112 435 A HN 2.127 nan 8.150 nan 0.000 0.508 436 V N 1.891 121.825 119.914 0.033 0.000 3.434 436 V HA -0.155 3.965 4.120 -0.001 0.000 0.459 436 V C 0.315 176.449 176.094 0.067 0.000 0.681 436 V CA 1.045 63.380 62.300 0.058 0.000 1.967 436 V CB -1.550 30.312 31.823 0.064 0.000 2.417 436 V HN 1.129 nan 8.190 nan 0.000 0.495 437 K N 5.818 126.266 120.400 0.080 0.000 2.383 437 K HA 0.442 4.762 4.320 -0.001 0.000 0.286 437 K C 0.313 176.975 176.600 0.103 0.000 1.051 437 K CA -0.351 55.988 56.287 0.087 0.000 0.974 437 K CB 0.615 33.170 32.500 0.093 0.000 0.968 437 K HN 0.672 nan 8.250 nan 0.000 0.475 438 R N 3.310 123.861 120.500 0.085 0.000 2.939 438 R HA 0.519 4.859 4.340 -0.001 0.000 0.254 438 R C -0.456 175.885 176.300 0.070 0.000 1.123 438 R CA -1.069 55.076 56.100 0.075 0.000 1.020 438 R CB 1.208 31.531 30.300 0.038 0.000 1.206 438 R HN 0.491 nan 8.270 nan 0.000 0.491 439 I N 1.438 122.045 120.570 0.062 0.000 2.441 439 I HA 0.194 4.364 4.170 -0.001 0.000 0.295 439 I C -0.465 175.650 176.117 -0.003 0.000 0.994 439 I CA -0.670 60.658 61.300 0.046 0.000 1.144 439 I CB 1.677 39.708 38.000 0.052 0.000 1.314 439 I HN 0.512 nan 8.210 nan 0.000 0.445 440 N N 5.540 124.203 118.700 -0.062 0.000 2.439 440 N HA 0.126 4.866 4.740 -0.001 0.000 0.249 440 N C 0.573 176.000 175.510 -0.139 0.000 1.003 440 N CA -0.399 52.555 53.050 -0.159 0.000 0.942 440 N CB 1.255 39.507 38.487 -0.392 0.000 1.115 440 N HN 0.426 nan 8.380 nan 0.000 0.505 441 M N 3.236 122.776 119.600 -0.100 0.000 2.229 441 M HA 0.011 4.490 4.480 -0.001 0.000 0.264 441 M C 1.918 178.097 176.300 -0.201 0.000 1.063 441 M CA 1.094 56.342 55.300 -0.087 0.000 1.114 441 M CB -0.718 31.868 32.600 -0.024 0.000 1.387 441 M HN 0.714 nan 8.290 nan 0.000 0.420 442 A N -1.316 121.380 122.820 -0.207 0.000 1.872 442 A HA -0.149 4.171 4.320 -0.001 0.000 0.214 442 A C 1.937 179.327 177.584 -0.325 0.000 1.187 442 A CA 1.477 53.323 52.037 -0.318 0.000 0.614 442 A CB -1.156 17.843 19.000 -0.002 0.000 0.826 442 A HN 0.666 nan 8.150 nan 0.000 0.442 443 H N -0.888 118.023 119.070 -0.265 0.000 2.495 443 H HA 0.082 4.638 4.556 -0.001 0.000 0.287 443 H C 1.980 177.103 175.328 -0.342 0.000 1.033 443 H CA 0.459 56.274 56.048 -0.388 0.000 1.307 443 H CB -0.005 29.762 29.762 0.009 0.000 1.401 443 H HN 0.340 nan 8.280 nan 0.000 0.555 444 L N 0.342 121.473 121.223 -0.153 0.000 2.017 444 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 444 L C 2.073 178.815 176.870 -0.212 0.000 1.073 444 L CA 1.258 56.014 54.840 -0.140 0.000 0.745 444 L CB -0.296 41.706 42.059 -0.096 0.000 0.894 444 L HN 0.475 nan 8.230 nan 0.000 0.432 445 C N -0.039 119.047 119.300 -0.357 0.000 2.429 445 C HA -0.164 4.295 4.460 -0.001 0.000 0.277 445 C C 2.629 177.407 174.990 -0.353 0.000 1.262 445 C CA 0.432 59.179 59.018 -0.452 0.000 1.733 445 C CB -0.823 26.308 27.740 -1.015 0.000 2.010 445 C HN 0.495 nan 8.230 nan 0.000 0.483 446 I N 1.516 121.838 120.570 -0.413 0.000 2.394 446 I HA -0.156 4.013 4.170 -0.001 0.000 0.251 446 I C 2.722 178.669 176.117 -0.285 0.000 1.136 446 I CA 1.318 62.413 61.300 -0.342 0.000 1.425 446 I CB -0.491 37.139 38.000 -0.617 0.000 1.079 446 I HN 0.280 nan 8.210 nan 0.000 0.425 447 A N 0.749 123.339 122.820 -0.384 0.000 1.873 447 A HA -0.065 4.255 4.320 -0.001 0.000 0.215 447 A C 2.236 179.818 177.584 -0.003 0.000 1.186 447 A CA 1.783 53.603 52.037 -0.361 0.000 0.616 447 A CB -1.144 17.533 19.000 -0.539 0.000 0.823 447 A HN 0.438 nan 8.150 nan 0.000 0.442 448 G N -0.727 108.061 108.800 -0.020 0.000 3.233 448 G HA2 0.392 4.351 3.960 -0.001 0.000 0.227 448 G HA3 0.392 4.351 3.960 -0.001 0.000 0.227 448 G C 0.105 174.854 174.900 -0.252 0.000 1.175 448 G CA 0.404 45.415 45.100 -0.149 0.000 0.781 448 G HN 0.351 nan 8.290 nan 0.000 0.542 449 S N -0.177 115.413 115.700 -0.183 0.000 2.509 449 S HA 0.312 4.781 4.470 -0.001 0.000 0.297 449 S C 0.657 175.153 174.600 -0.173 0.000 1.118 449 S CA -0.591 57.496 58.200 -0.189 0.000 1.074 449 S CB 1.249 64.364 63.200 -0.142 0.000 1.038 449 S HN 0.597 nan 8.310 nan 0.000 0.498 450 H N -0.102 118.950 119.070 -0.031 0.000 2.553 450 H HA 0.624 5.179 4.556 -0.001 0.000 0.269 450 H C 0.025 175.371 175.328 0.029 0.000 1.011 450 H CA 0.355 56.416 56.048 0.020 0.000 1.150 450 H CB -0.089 29.696 29.762 0.038 0.000 1.339 450 H HN 0.607 nan 8.280 nan 0.000 0.604 451 A N -0.178 122.469 122.820 -0.287 0.000 2.583 451 A HA 0.547 4.866 4.320 -0.001 0.000 0.298 451 A C -1.725 175.706 177.584 -0.256 0.000 1.055 451 A CA -0.516 51.432 52.037 -0.148 0.000 0.714 451 A CB 0.876 19.890 19.000 0.024 0.000 1.277 451 A HN 0.141 nan 8.150 nan 0.000 0.406 452 V N 3.383 123.055 119.914 -0.403 0.000 2.769 452 V HA 0.723 4.842 4.120 -0.001 0.000 0.312 452 V C -0.579 175.275 176.094 -0.400 0.000 1.061 452 V CA -0.660 61.340 62.300 -0.501 0.000 0.931 452 V CB 2.105 33.447 31.823 -0.802 0.000 1.010 452 V HN 1.073 nan 8.190 nan 0.000 0.433 453 N N 2.012 120.521 118.700 -0.319 0.000 2.277 453 N HA 0.547 5.286 4.740 -0.001 0.000 0.286 453 N C -0.327 175.081 175.510 -0.170 0.000 1.140 453 N CA -0.386 52.533 53.050 -0.218 0.000 0.799 453 N CB 2.641 40.996 38.487 -0.219 0.000 1.596 453 N HN 0.678 nan 8.380 nan 0.000 0.473 454 G N -0.532 108.188 108.800 -0.132 0.000 2.606 454 G HA2 0.438 4.398 3.960 -0.001 0.000 0.262 454 G HA3 0.438 4.398 3.960 -0.001 0.000 0.262 454 G C -0.293 174.646 174.900 0.065 0.000 1.394 454 G CA -0.441 44.615 45.100 -0.073 0.000 1.044 454 G HN 0.391 nan 8.290 nan 0.000 0.553 455 V N -0.558 119.528 119.914 0.287 0.000 3.372 455 V HA 0.620 4.739 4.120 -0.001 0.000 0.304 455 V C 0.307 176.511 176.094 0.182 0.000 1.530 455 V CA 0.750 63.163 62.300 0.188 0.000 1.080 455 V CB 0.062 31.930 31.823 0.075 0.000 0.929 455 V HN 1.161 nan 8.190 nan 0.000 0.455 456 A N -0.593 122.342 122.820 0.193 0.000 2.577 456 A HA 0.615 4.934 4.320 -0.001 0.000 0.297 456 A C 0.397 178.031 177.584 0.083 0.000 1.060 456 A CA -0.523 51.597 52.037 0.140 0.000 0.697 456 A CB 1.094 20.192 19.000 0.164 0.000 1.281 456 A HN 0.123 nan 8.150 nan 0.000 0.402 457 R N 0.993 121.524 120.500 0.051 0.000 2.081 457 R HA -0.161 4.179 4.340 -0.001 0.000 0.235 457 R C 1.872 178.170 176.300 -0.003 0.000 1.131 457 R CA 2.181 58.287 56.100 0.011 0.000 0.960 457 R CB -0.645 29.660 30.300 0.008 0.000 0.856 457 R HN 0.883 nan 8.270 nan 0.000 0.436 458 I N -1.750 118.833 120.570 0.023 0.000 2.208 458 I HA -0.267 3.903 4.170 -0.001 0.000 0.245 458 I C 2.451 178.580 176.117 0.019 0.000 1.097 458 I CA 1.902 63.212 61.300 0.016 0.000 1.363 458 I CB -0.658 37.360 38.000 0.031 0.000 1.051 458 I HN 0.120 nan 8.210 nan 0.000 0.413 459 H N 1.591 120.656 119.070 -0.009 0.000 2.395 459 H HA -0.006 4.550 4.556 -0.001 0.000 0.299 459 H C 2.013 177.335 175.328 -0.010 0.000 1.070 459 H CA 1.821 57.864 56.048 -0.009 0.000 1.356 459 H CB -0.214 29.550 29.762 0.002 0.000 1.401 459 H HN 0.347 nan 8.280 nan 0.000 0.524 460 S N 0.342 115.844 115.700 -0.331 0.000 2.496 460 S HA -0.038 4.431 4.470 -0.001 0.000 0.224 460 S C 1.728 176.219 174.600 -0.181 0.000 0.996 460 S CA 0.537 58.564 58.200 -0.289 0.000 0.927 460 S CB 0.140 63.247 63.200 -0.156 0.000 0.774 460 S HN 0.390 nan 8.310 nan 0.000 0.524 461 E N 2.122 122.233 120.200 -0.150 0.000 2.047 461 E HA -0.071 4.279 4.350 -0.001 0.000 0.191 461 E C 2.092 178.594 176.600 -0.163 0.000 0.987 461 E CA 0.923 57.231 56.400 -0.152 0.000 0.799 461 E CB -0.468 29.173 29.700 -0.098 0.000 0.752 461 E HN 0.755 nan 8.360 nan 0.000 0.449 462 I N -1.819 118.674 120.570 -0.128 0.000 2.830 462 I HA -0.076 4.094 4.170 -0.001 0.000 0.263 462 I C 1.929 177.957 176.117 -0.148 0.000 1.230 462 I CA 0.641 61.872 61.300 -0.114 0.000 1.480 462 I CB -0.164 37.800 38.000 -0.059 0.000 1.095 462 I HN -0.057 nan 8.210 nan 0.000 0.455 463 L N 1.107 122.225 121.223 -0.175 0.000 2.141 463 L HA -0.077 4.263 4.340 -0.001 0.000 0.209 463 L C 2.484 179.297 176.870 -0.095 0.000 1.094 463 L CA 1.392 56.170 54.840 -0.103 0.000 0.763 463 L CB -0.511 41.590 42.059 0.069 0.000 0.908 463 L HN 0.320 nan 8.230 nan 0.000 0.437 464 K N 0.080 120.329 120.400 -0.252 0.000 2.186 464 K HA -0.079 4.241 4.320 -0.001 0.000 0.202 464 K C 1.922 178.293 176.600 -0.381 0.000 1.052 464 K CA 0.799 56.734 56.287 -0.587 0.000 0.965 464 K CB 0.109 31.956 32.500 -1.088 0.000 0.746 464 K HN 0.234 nan 8.250 nan 0.000 0.457 465 K N 0.077 120.330 120.400 -0.245 0.000 2.284 465 K HA -0.001 4.319 4.320 -0.001 0.000 0.198 465 K C 1.828 178.374 176.600 -0.091 0.000 1.048 465 K CA 1.423 57.627 56.287 -0.138 0.000 0.987 465 K CB 0.542 32.974 32.500 -0.114 0.000 0.800 465 K HN 0.245 nan 8.250 nan 0.000 0.486 466 T N -2.064 112.428 114.554 -0.104 0.000 3.409 466 T HA 0.118 4.467 4.350 -0.001 0.000 0.242 466 T C 1.755 176.391 174.700 -0.107 0.000 1.000 466 T CA -0.279 61.770 62.100 -0.085 0.000 1.180 466 T CB -0.467 68.355 68.868 -0.076 0.000 1.210 466 T HN -0.165 nan 8.240 nan 0.000 0.373 467 I N 1.586 122.044 120.570 -0.187 0.000 2.052 467 I HA -0.019 4.151 4.170 -0.001 0.000 0.235 467 I C 1.180 177.087 176.117 -0.349 0.000 1.046 467 I CA 1.708 62.798 61.300 -0.350 0.000 1.308 467 I CB -0.494 37.197 38.000 -0.515 0.000 1.031 467 I HN 0.229 nan 8.210 nan 0.000 0.395 468 F N 1.381 121.428 119.950 0.162 0.000 2.916 468 F HA 0.194 4.721 4.527 -0.000 0.000 0.294 468 F C 1.662 177.555 175.800 0.155 0.000 1.189 468 F CA -0.662 57.522 58.000 0.307 0.000 1.369 468 F CB -0.896 38.368 39.000 0.440 0.000 0.961 468 F HN 0.108 nan 8.300 nan 0.000 0.508 469 K N -1.311 119.157 120.400 0.113 0.000 2.283 469 K HA -0.100 4.220 4.320 -0.001 0.000 0.202 469 K C 0.818 177.430 176.600 0.020 0.000 1.048 469 K CA 1.536 57.854 56.287 0.051 0.000 0.948 469 K CB -0.055 32.448 32.500 0.004 0.000 0.742 469 K HN -0.020 nan 8.250 nan 0.000 0.458 470 D N 0.218 120.563 120.400 -0.092 0.000 2.269 470 D HA -0.030 4.610 4.640 -0.001 0.000 0.208 470 D C 1.156 177.356 176.300 -0.166 0.000 0.963 470 D CA 0.723 54.576 54.000 -0.244 0.000 0.864 470 D CB -0.035 40.506 40.800 -0.431 0.000 0.936 470 D HN 0.236 nan 8.370 nan 0.000 0.505 471 F N -0.766 119.248 119.950 0.106 0.000 2.270 471 F HA -0.022 4.505 4.527 -0.001 0.000 0.295 471 F C 2.072 177.947 175.800 0.125 0.000 1.087 471 F CA 0.196 58.324 58.000 0.213 0.000 1.365 471 F CB -0.631 38.569 39.000 0.333 0.000 1.056 471 F HN -0.063 nan 8.300 nan 0.000 0.506 472 Y N 1.365 121.591 120.300 -0.124 0.000 2.274 472 Y HA -0.194 4.355 4.550 -0.001 0.000 0.290 472 Y C 2.118 177.974 175.900 -0.074 0.000 1.145 472 Y CA 1.583 59.438 58.100 -0.407 0.000 1.203 472 Y CB -0.544 37.528 38.460 -0.646 0.000 0.984 472 Y HN 0.133 nan 8.280 nan 0.000 0.533 473 E N -0.346 119.759 120.200 -0.158 0.000 2.072 473 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 473 E C 2.235 178.876 176.600 0.067 0.000 0.985 473 E CA 1.089 57.440 56.400 -0.083 0.000 0.801 473 E CB -0.329 29.401 29.700 0.050 0.000 0.750 473 E HN 0.395 nan 8.360 nan 0.000 0.452 474 L N 0.771 122.105 121.223 0.186 0.000 2.109 474 L HA -0.043 4.296 4.340 -0.001 0.000 0.207 474 L C -0.015 176.919 176.870 0.108 0.000 1.086 474 L CA 1.677 56.631 54.840 0.191 0.000 0.760 474 L CB 0.045 42.270 42.059 0.276 0.000 0.910 474 L HN 0.056 nan 8.230 nan 0.000 0.437 475 E N 0.262 120.526 120.200 0.107 0.000 3.132 475 E HA 0.171 4.521 4.350 -0.001 0.000 0.241 475 E C -1.819 174.759 176.600 -0.037 0.000 1.196 475 E CA -1.357 55.016 56.400 -0.045 0.000 0.869 475 E CB 1.157 30.833 29.700 -0.041 0.000 1.387 475 E HN 0.190 nan 8.360 nan 0.000 0.393 476 P HA -0.239 nan 4.420 nan 0.000 0.216 476 P C 1.113 178.564 177.300 0.252 0.000 1.150 476 P CA 1.366 64.354 63.100 -0.187 0.000 0.837 476 P CB -0.074 31.411 31.700 -0.357 0.000 0.786 477 H N -0.501 118.696 119.070 0.212 0.000 2.567 477 H HA 0.131 4.686 4.556 -0.001 0.000 0.276 477 H C 1.428 176.889 175.328 0.221 0.000 1.016 477 H CA 0.434 56.602 56.048 0.200 0.000 1.186 477 H CB -0.296 29.544 29.762 0.129 0.000 1.351 477 H HN 0.172 nan 8.280 nan 0.000 0.605 478 K N 0.171 120.675 120.400 0.174 0.000 2.356 478 K HA 0.087 4.407 4.320 -0.001 0.000 0.195 478 K C -0.434 176.119 176.600 -0.079 0.000 1.037 478 K CA -0.205 56.110 56.287 0.046 0.000 1.014 478 K CB 0.362 32.797 32.500 -0.107 0.000 0.815 478 K HN 0.052 nan 8.250 nan 0.000 0.507 479 F N 2.040 122.086 119.950 0.161 0.000 2.421 479 F HA 0.189 4.716 4.527 -0.000 0.000 0.358 479 F C 0.519 176.356 175.800 0.062 0.000 1.115 479 F CA 0.019 58.087 58.000 0.114 0.000 1.160 479 F CB 0.861 39.968 39.000 0.179 0.000 1.123 479 F HN -0.109 nan 8.300 nan 0.000 0.508 480 Q N 1.942 121.745 119.800 0.005 0.000 2.495 480 Q HA 0.441 4.780 4.340 -0.001 0.000 0.283 480 Q C -0.919 175.037 176.000 -0.074 0.000 1.097 480 Q CA -1.320 54.466 55.803 -0.028 0.000 0.836 480 Q CB 2.838 31.521 28.738 -0.093 0.000 1.426 480 Q HN 0.576 nan 8.270 nan 0.000 0.459 481 N N 0.431 119.072 118.700 -0.098 0.000 2.242 481 N HA 0.283 5.023 4.740 -0.001 0.000 0.292 481 N C -1.734 173.677 175.510 -0.166 0.000 1.125 481 N CA -0.438 52.545 53.050 -0.111 0.000 0.783 481 N CB 1.541 39.988 38.487 -0.067 0.000 1.558 481 N HN 0.356 nan 8.380 nan 0.000 0.472 482 K N 2.498 122.791 120.400 -0.178 0.000 2.803 482 K HA 0.182 4.502 4.320 -0.001 0.000 0.229 482 K C -0.925 175.657 176.600 -0.030 0.000 1.084 482 K CA -0.462 55.681 56.287 -0.241 0.000 1.063 482 K CB 0.900 32.984 32.500 -0.694 0.000 1.254 482 K HN 0.570 nan 8.250 nan 0.000 0.551 483 T N 2.286 116.858 114.554 0.029 0.000 2.934 483 T HA 0.044 4.394 4.350 -0.001 0.000 0.306 483 T C 0.733 175.555 174.700 0.203 0.000 1.042 483 T CA 0.216 62.390 62.100 0.123 0.000 1.145 483 T CB 0.213 69.160 68.868 0.132 0.000 0.982 483 T HN 0.227 nan 8.240 nan 0.000 0.544 484 N N 1.105 119.947 118.700 0.237 0.000 2.371 484 N HA 0.514 5.254 4.740 -0.001 0.000 0.243 484 N C 0.479 176.158 175.510 0.282 0.000 1.287 484 N CA 0.045 53.276 53.050 0.301 0.000 0.911 484 N CB 0.772 39.393 38.487 0.223 0.000 1.142 484 N HN 0.868 nan 8.380 nan 0.000 0.451 485 G N -0.666 108.325 108.800 0.319 0.000 2.682 485 G HA2 0.621 4.580 3.960 -0.001 0.000 0.290 485 G HA3 0.621 4.580 3.960 -0.001 0.000 0.290 485 G C -1.266 173.777 174.900 0.239 0.000 1.425 485 G CA -0.318 44.944 45.100 0.269 0.000 0.807 485 G HN 0.383 nan 8.290 nan 0.000 0.482 486 I N -0.594 120.098 120.570 0.203 0.000 2.863 486 I HA 0.669 4.838 4.170 -0.001 0.000 0.311 486 I C 0.373 176.666 176.117 0.293 0.000 1.026 486 I CA -0.624 60.803 61.300 0.213 0.000 1.077 486 I CB 2.526 40.569 38.000 0.072 0.000 1.262 486 I HN 0.426 nan 8.210 nan 0.000 0.461 487 T N 5.451 120.256 114.554 0.419 0.000 2.767 487 T HA 0.379 4.729 4.350 -0.001 0.000 0.284 487 T C -1.764 173.055 174.700 0.199 0.000 0.973 487 T CA -1.975 60.258 62.100 0.222 0.000 0.996 487 T CB 1.181 70.122 68.868 0.122 0.000 0.927 487 T HN 0.366 nan 8.240 nan 0.000 0.456 488 P HA -0.171 nan 4.420 nan 0.000 0.216 488 P C 1.308 178.569 177.300 -0.066 0.000 1.154 488 P CA 1.083 64.190 63.100 0.012 0.000 0.865 488 P CB 0.343 31.990 31.700 -0.088 0.000 0.789 489 R N -0.081 120.335 120.500 -0.139 0.000 2.109 489 R HA -0.100 4.239 4.340 -0.001 0.000 0.227 489 R C 2.790 178.981 176.300 -0.181 0.000 1.132 489 R CA 2.020 58.009 56.100 -0.186 0.000 0.907 489 R CB -1.228 28.973 30.300 -0.165 0.000 0.825 489 R HN 0.065 nan 8.270 nan 0.000 0.432 490 R N -0.967 119.358 120.500 -0.292 0.000 2.075 490 R HA -0.103 4.237 4.340 -0.001 0.000 0.232 490 R C 1.382 177.374 176.300 -0.514 0.000 1.126 490 R CA 1.658 57.418 56.100 -0.568 0.000 0.963 490 R CB -0.181 29.538 30.300 -0.967 0.000 0.858 490 R HN 0.338 nan 8.270 nan 0.000 0.435 491 W N -0.217 121.056 121.300 -0.045 0.000 3.345 491 W HA 0.171 4.831 4.660 -0.000 0.000 0.282 491 W C 1.345 177.844 176.519 -0.033 0.000 1.302 491 W CA -0.576 56.742 57.345 -0.045 0.000 1.724 491 W CB 0.486 29.928 29.460 -0.029 0.000 1.104 491 W HN 0.198 nan 8.180 nan 0.000 0.694 492 L N -1.942 119.344 121.223 0.106 0.000 2.230 492 L HA 0.014 4.354 4.340 -0.001 0.000 0.164 492 L C 1.659 178.546 176.870 0.028 0.000 1.237 492 L CA 0.455 55.345 54.840 0.083 0.000 1.030 492 L CB -0.702 41.423 42.059 0.111 0.000 2.103 492 L HN -0.237 nan 8.230 nan 0.000 0.490 493 V N 1.440 121.338 119.914 -0.027 0.000 2.343 493 V HA -0.265 3.855 4.120 -0.001 0.000 0.247 493 V C 2.465 178.534 176.094 -0.041 0.000 1.051 493 V CA 2.221 64.502 62.300 -0.032 0.000 1.036 493 V CB -0.556 31.233 31.823 -0.056 0.000 0.654 493 V HN 0.417 nan 8.190 nan 0.000 0.451 494 L N 0.369 121.538 121.223 -0.090 0.000 2.022 494 L HA -0.146 4.193 4.340 -0.001 0.000 0.204 494 L C 2.754 179.570 176.870 -0.090 0.000 1.076 494 L CA 2.190 56.967 54.840 -0.104 0.000 0.749 494 L CB -0.344 41.610 42.059 -0.175 0.000 0.903 494 L HN 0.626 nan 8.230 nan 0.000 0.439 495 C N -1.391 117.844 119.300 -0.108 0.000 2.446 495 C HA -0.051 4.409 4.460 -0.001 0.000 0.277 495 C C 1.492 176.476 174.990 -0.011 0.000 1.275 495 C CA 0.120 59.101 59.018 -0.062 0.000 1.727 495 C CB -1.189 26.531 27.740 -0.034 0.000 2.010 495 C HN 0.550 nan 8.230 nan 0.000 0.486 496 N N 1.971 120.678 118.700 0.013 0.000 3.044 496 N HA 0.292 5.032 4.740 -0.001 0.000 0.254 496 N C -1.775 173.762 175.510 0.045 0.000 1.253 496 N CA -1.318 51.754 53.050 0.036 0.000 0.944 496 N CB 1.080 39.601 38.487 0.057 0.000 1.217 496 N HN 0.430 nan 8.380 nan 0.000 0.498 497 P HA 0.099 nan 4.420 nan 0.000 0.228 497 P C 1.285 178.614 177.300 0.048 0.000 1.166 497 P CA 0.453 63.575 63.100 0.036 0.000 0.812 497 P CB 0.568 32.278 31.700 0.017 0.000 0.857 498 G N 1.451 110.278 108.800 0.045 0.000 2.484 498 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.215 498 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.215 498 G C 1.529 176.470 174.900 0.068 0.000 1.219 498 G CA 0.693 45.821 45.100 0.048 0.000 0.791 498 G HN 0.224 nan 8.290 nan 0.000 0.550 499 L N 1.203 122.474 121.223 0.080 0.000 2.129 499 L HA -0.020 4.319 4.340 -0.001 0.000 0.212 499 L C 2.974 179.919 176.870 0.125 0.000 1.087 499 L CA 2.090 56.993 54.840 0.105 0.000 0.757 499 L CB -0.216 41.904 42.059 0.101 0.000 0.896 499 L HN 0.259 nan 8.230 nan 0.000 0.434 500 A N -1.594 121.304 122.820 0.130 0.000 2.123 500 A HA -0.118 4.202 4.320 -0.001 0.000 0.214 500 A C 2.189 179.882 177.584 0.182 0.000 1.152 500 A CA 1.061 53.224 52.037 0.211 0.000 0.728 500 A CB -0.385 18.716 19.000 0.167 0.000 0.814 500 A HN 0.581 nan 8.150 nan 0.000 0.464 501 E N 0.758 121.016 120.200 0.097 0.000 2.021 501 E HA -0.142 4.208 4.350 -0.001 0.000 0.189 501 E C 2.002 178.606 176.600 0.007 0.000 0.980 501 E CA 1.306 57.738 56.400 0.053 0.000 0.803 501 E CB -0.361 29.357 29.700 0.030 0.000 0.766 501 E HN 0.669 nan 8.360 nan 0.000 0.449 502 I N -0.455 120.112 120.570 -0.005 0.000 2.099 502 I HA -0.255 3.914 4.170 -0.001 0.000 0.239 502 I C 2.359 178.384 176.117 -0.153 0.000 1.066 502 I CA 1.470 62.718 61.300 -0.087 0.000 1.324 502 I CB -0.663 37.313 38.000 -0.041 0.000 1.037 502 I HN 0.134 nan 8.210 nan 0.000 0.401 503 I N 2.035 122.582 120.570 -0.038 0.000 2.143 503 I HA -0.377 3.793 4.170 -0.001 0.000 0.245 503 I C 3.083 179.052 176.117 -0.246 0.000 1.068 503 I CA 1.932 63.159 61.300 -0.121 0.000 1.326 503 I CB -0.740 37.159 38.000 -0.169 0.000 1.028 503 I HN 0.449 nan 8.210 nan 0.000 0.412 504 A N 0.237 122.990 122.820 -0.111 0.000 1.902 504 A HA -0.235 4.085 4.320 -0.001 0.000 0.217 504 A C 2.164 179.708 177.584 -0.066 0.000 1.181 504 A CA 1.785 53.816 52.037 -0.010 0.000 0.623 504 A CB -0.637 18.450 19.000 0.144 0.000 0.818 504 A HN 0.479 nan 8.150 nan 0.000 0.443 505 E N -0.444 119.696 120.200 -0.100 0.000 2.035 505 E HA -0.258 4.091 4.350 -0.001 0.000 0.204 505 E C 2.208 178.710 176.600 -0.165 0.000 1.025 505 E CA 1.573 57.901 56.400 -0.118 0.000 0.835 505 E CB -0.262 29.349 29.700 -0.149 0.000 0.764 505 E HN 0.407 nan 8.360 nan 0.000 0.457 506 R N 0.315 120.631 120.500 -0.306 0.000 2.148 506 R HA -0.086 4.254 4.340 -0.001 0.000 0.227 506 R C 2.306 178.432 176.300 -0.291 0.000 1.103 506 R CA 1.242 57.095 56.100 -0.412 0.000 0.983 506 R CB -0.570 29.194 30.300 -0.893 0.000 0.874 506 R HN 0.502 nan 8.270 nan 0.000 0.451 507 I N -5.320 115.120 120.570 -0.217 0.000 4.530 507 I HA 0.484 4.653 4.170 -0.001 0.000 0.318 507 I C 0.738 176.840 176.117 -0.026 0.000 1.257 507 I CA 0.240 61.470 61.300 -0.115 0.000 1.301 507 I CB 0.830 38.745 38.000 -0.142 0.000 1.297 507 I HN 0.094 nan 8.210 nan 0.000 0.451 508 G N 1.502 110.305 108.800 0.005 0.000 2.347 508 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.341 508 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.341 508 G C -0.269 174.758 174.900 0.211 0.000 1.287 508 G CA 0.122 45.273 45.100 0.085 0.000 0.984 508 G HN 0.158 nan 8.290 nan 0.000 0.526 509 E N -0.512 119.799 120.200 0.184 0.000 2.075 509 E HA 0.004 4.353 4.350 -0.001 0.000 0.190 509 E C 1.962 178.676 176.600 0.189 0.000 0.969 509 E CA 0.858 57.375 56.400 0.195 0.000 0.815 509 E CB -0.020 29.749 29.700 0.114 0.000 0.776 509 E HN 0.588 nan 8.360 nan 0.000 0.457 510 E N -0.128 120.159 120.200 0.146 0.000 2.312 510 E HA -0.294 4.055 4.350 -0.001 0.000 0.209 510 E C 1.847 178.505 176.600 0.096 0.000 1.047 510 E CA 1.766 58.225 56.400 0.098 0.000 0.840 510 E CB -0.379 29.375 29.700 0.090 0.000 0.738 510 E HN 0.480 nan 8.360 nan 0.000 0.478 511 Y N -0.671 119.628 120.300 -0.002 0.000 2.151 511 Y HA -0.202 4.347 4.550 -0.001 0.000 0.284 511 Y C 1.768 177.642 175.900 -0.043 0.000 1.166 511 Y CA 1.340 59.432 58.100 -0.013 0.000 1.163 511 Y CB -0.804 37.654 38.460 -0.004 0.000 0.974 511 Y HN 0.020 nan 8.280 nan 0.000 0.511 512 I N -0.132 120.041 120.570 -0.661 0.000 2.756 512 I HA -0.155 4.015 4.170 -0.001 0.000 0.262 512 I C 1.927 177.796 176.117 -0.414 0.000 1.225 512 I CA 1.646 62.529 61.300 -0.694 0.000 1.472 512 I CB -0.349 37.118 38.000 -0.888 0.000 1.094 512 I HN 0.335 nan 8.210 nan 0.000 0.454 513 S N -0.240 115.322 115.700 -0.231 0.000 2.601 513 S HA 0.077 4.546 4.470 -0.001 0.000 0.244 513 S C -0.059 174.517 174.600 -0.039 0.000 1.001 513 S CA -0.268 57.859 58.200 -0.122 0.000 0.984 513 S CB -0.229 62.946 63.200 -0.042 0.000 0.842 513 S HN 0.403 nan 8.310 nan 0.000 0.474 514 D N 0.880 121.268 120.400 -0.019 0.000 3.117 514 D HA 0.042 4.682 4.640 -0.001 0.000 0.241 514 D C 0.371 176.701 176.300 0.050 0.000 1.385 514 D CA -0.360 53.651 54.000 0.018 0.000 0.855 514 D CB -0.236 40.583 40.800 0.032 0.000 1.498 514 D HN 0.216 nan 8.370 nan 0.000 0.584 515 L N 1.373 122.621 121.223 0.041 0.000 2.353 515 L HA 0.040 4.380 4.340 -0.001 0.000 0.220 515 L C 1.439 178.360 176.870 0.085 0.000 1.133 515 L CA 1.573 56.466 54.840 0.089 0.000 0.798 515 L CB -0.136 41.965 42.059 0.071 0.000 0.922 515 L HN 0.272 nan 8.230 nan 0.000 0.445 516 D N -0.998 119.425 120.400 0.039 0.000 2.348 516 D HA -0.177 4.463 4.640 -0.001 0.000 0.216 516 D C 1.926 178.243 176.300 0.027 0.000 0.970 516 D CA 0.334 54.342 54.000 0.013 0.000 0.889 516 D CB 0.222 41.011 40.800 -0.018 0.000 0.912 516 D HN 0.496 nan 8.370 nan 0.000 0.524 517 Q N -0.058 119.774 119.800 0.054 0.000 2.325 517 Q HA -0.147 4.192 4.340 -0.001 0.000 0.211 517 Q C 2.088 178.102 176.000 0.024 0.000 0.988 517 Q CA 0.496 56.331 55.803 0.052 0.000 0.887 517 Q CB 0.027 28.818 28.738 0.089 0.000 0.915 517 Q HN 0.327 nan 8.270 nan 0.000 0.440 518 L N 0.195 121.429 121.223 0.019 0.000 2.137 518 L HA -0.274 4.066 4.340 -0.001 0.000 0.213 518 L C 2.171 179.037 176.870 -0.005 0.000 1.085 518 L CA 1.685 56.513 54.840 -0.021 0.000 0.760 518 L CB -0.830 41.234 42.059 0.010 0.000 0.893 518 L HN 0.373 nan 8.230 nan 0.000 0.434 519 R N 0.263 120.771 120.500 0.012 0.000 2.200 519 R HA -0.168 4.172 4.340 -0.001 0.000 0.234 519 R C 2.061 178.400 176.300 0.065 0.000 1.127 519 R CA 0.779 56.894 56.100 0.025 0.000 0.989 519 R CB -0.174 30.136 30.300 0.016 0.000 0.869 519 R HN 0.460 nan 8.270 nan 0.000 0.459 520 K N 0.263 120.712 120.400 0.081 0.000 2.281 520 K HA -0.121 4.199 4.320 -0.001 0.000 0.203 520 K C 1.413 178.200 176.600 0.312 0.000 1.046 520 K CA 0.834 57.219 56.287 0.163 0.000 0.938 520 K CB -0.016 32.564 32.500 0.134 0.000 0.737 520 K HN 0.025 nan 8.250 nan 0.000 0.458 521 L N 0.415 121.761 121.223 0.205 0.000 2.478 521 L HA -0.059 4.281 4.340 -0.001 0.000 0.223 521 L C 1.780 178.831 176.870 0.303 0.000 1.140 521 L CA 0.855 55.881 54.840 0.311 0.000 0.842 521 L CB -0.612 41.480 42.059 0.055 0.000 0.953 521 L HN 0.107 nan 8.230 nan 0.000 0.452 522 L N -0.295 121.030 121.223 0.171 0.000 2.017 522 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 522 L C 2.394 179.329 176.870 0.109 0.000 1.073 522 L CA 1.485 56.380 54.840 0.091 0.000 0.745 522 L CB -1.092 40.994 42.059 0.046 0.000 0.894 522 L HN 0.251 nan 8.230 nan 0.000 0.432 523 S N -1.206 114.558 115.700 0.107 0.000 2.520 523 S HA -0.195 4.275 4.470 -0.001 0.000 0.249 523 S C 1.027 175.459 174.600 -0.281 0.000 0.983 523 S CA 0.930 59.061 58.200 -0.115 0.000 0.958 523 S CB -0.508 62.543 63.200 -0.249 0.000 0.750 523 S HN 0.487 nan 8.310 nan 0.000 0.527 524 Y N -0.934 119.433 120.300 0.112 0.000 2.531 524 Y HA 0.353 4.903 4.550 -0.001 0.000 0.249 524 Y C 1.719 177.696 175.900 0.128 0.000 1.168 524 Y CA -0.833 57.375 58.100 0.181 0.000 1.226 524 Y CB -0.335 38.387 38.460 0.436 0.000 1.177 524 Y HN 0.000 nan 8.280 nan 0.000 0.527 525 V N 0.294 120.282 119.914 0.123 0.000 2.453 525 V HA -0.301 3.818 4.120 -0.001 0.000 0.252 525 V C 1.639 177.769 176.094 0.059 0.000 1.068 525 V CA 2.396 64.732 62.300 0.059 0.000 1.070 525 V CB -0.104 31.731 31.823 0.019 0.000 0.664 525 V HN 0.472 nan 8.190 nan 0.000 0.461 526 D N -1.172 119.263 120.400 0.059 0.000 2.388 526 D HA 0.033 4.672 4.640 -0.001 0.000 0.208 526 D C 0.727 177.069 176.300 0.070 0.000 1.035 526 D CA 0.072 54.103 54.000 0.052 0.000 0.875 526 D CB 0.238 41.053 40.800 0.026 0.000 0.984 526 D HN 0.549 nan 8.370 nan 0.000 0.508 527 D N 1.334 121.790 120.400 0.094 0.000 2.455 527 D HA -0.071 4.569 4.640 -0.001 0.000 0.241 527 D C 0.995 177.369 176.300 0.124 0.000 1.138 527 D CA 0.451 54.511 54.000 0.100 0.000 0.877 527 D CB 0.820 41.696 40.800 0.125 0.000 1.187 527 D HN -0.111 nan 8.370 nan 0.000 0.451 528 E N 2.307 122.559 120.200 0.087 0.000 2.511 528 E HA -0.026 4.323 4.350 -0.001 0.000 0.196 528 E C 1.284 177.938 176.600 0.090 0.000 1.066 528 E CA 0.239 56.688 56.400 0.082 0.000 0.871 528 E CB 0.228 29.960 29.700 0.053 0.000 0.863 528 E HN 0.601 nan 8.360 nan 0.000 0.520 529 A N 1.507 124.385 122.820 0.096 0.000 1.833 529 A HA -0.147 4.172 4.320 -0.001 0.000 0.215 529 A C 1.766 179.426 177.584 0.127 0.000 1.275 529 A CA 0.706 52.786 52.037 0.072 0.000 0.602 529 A CB -0.979 18.040 19.000 0.031 0.000 0.929 529 A HN 0.168 nan 8.150 nan 0.000 0.462 530 F N 0.568 120.556 119.950 0.063 0.000 2.048 530 F HA -0.281 4.245 4.527 -0.000 0.000 0.296 530 F C 2.297 178.126 175.800 0.048 0.000 1.109 530 F CA 1.841 59.869 58.000 0.046 0.000 1.214 530 F CB -0.668 38.371 39.000 0.064 0.000 0.963 530 F HN 0.199 nan 8.300 nan 0.000 0.491 531 I N 0.213 120.965 120.570 0.303 0.000 2.248 531 I HA -0.368 3.802 4.170 -0.001 0.000 0.248 531 I C 2.551 178.754 176.117 0.143 0.000 1.107 531 I CA 1.897 63.306 61.300 0.182 0.000 1.373 531 I CB -0.533 37.549 38.000 0.136 0.000 1.055 531 I HN 0.245 nan 8.210 nan 0.000 0.418 532 R N 0.546 121.116 120.500 0.118 0.000 2.080 532 R HA -0.068 4.272 4.340 -0.001 0.000 0.222 532 R C 1.488 177.840 176.300 0.088 0.000 1.107 532 R CA 1.078 57.227 56.100 0.082 0.000 0.980 532 R CB -0.765 29.568 30.300 0.054 0.000 0.879 532 R HN 0.288 nan 8.270 nan 0.000 0.439 533 D N 1.737 122.200 120.400 0.106 0.000 2.108 533 D HA -0.155 4.485 4.640 -0.001 0.000 0.190 533 D C 2.197 178.572 176.300 0.125 0.000 0.995 533 D CA 1.559 55.618 54.000 0.098 0.000 0.834 533 D CB -0.490 40.364 40.800 0.090 0.000 0.967 533 D HN 0.035 nan 8.370 nan 0.000 0.446 534 V N 1.734 121.766 119.914 0.197 0.000 2.220 534 V HA -0.300 3.820 4.120 -0.001 0.000 0.250 534 V C 2.475 178.638 176.094 0.114 0.000 1.056 534 V CA 2.420 64.821 62.300 0.168 0.000 1.016 534 V CB -0.887 31.033 31.823 0.161 0.000 0.639 534 V HN 0.285 nan 8.190 nan 0.000 0.446 535 A N -1.070 121.812 122.820 0.103 0.000 2.216 535 A HA -0.159 4.161 4.320 -0.001 0.000 0.214 535 A C 2.022 179.628 177.584 0.036 0.000 1.160 535 A CA 1.772 53.849 52.037 0.066 0.000 0.725 535 A CB -0.402 18.628 19.000 0.050 0.000 0.784 535 A HN 0.511 nan 8.150 nan 0.000 0.472 536 K N -0.148 120.281 120.400 0.048 0.000 1.975 536 K HA 0.012 4.331 4.320 -0.001 0.000 0.210 536 K C 1.720 178.342 176.600 0.036 0.000 1.041 536 K CA 1.716 58.024 56.287 0.034 0.000 0.942 536 K CB -0.978 31.544 32.500 0.036 0.000 0.729 536 K HN 0.058 nan 8.250 nan 0.000 0.439 537 V N 1.411 121.355 119.914 0.050 0.000 2.231 537 V HA -0.309 3.811 4.120 -0.001 0.000 0.250 537 V C 2.300 178.422 176.094 0.047 0.000 1.058 537 V CA 2.381 64.713 62.300 0.052 0.000 1.022 537 V CB -0.507 31.357 31.823 0.068 0.000 0.640 537 V HN 0.391 nan 8.190 nan 0.000 0.445 538 K N -0.264 120.166 120.400 0.050 0.000 2.211 538 K HA -0.218 4.102 4.320 -0.001 0.000 0.204 538 K C 2.171 178.776 176.600 0.008 0.000 1.047 538 K CA 1.562 57.871 56.287 0.036 0.000 0.935 538 K CB -0.360 32.172 32.500 0.052 0.000 0.728 538 K HN 0.610 nan 8.250 nan 0.000 0.452 539 Q N -0.266 119.536 119.800 0.004 0.000 2.172 539 Q HA -0.146 4.193 4.340 -0.001 0.000 0.200 539 Q C 1.244 177.256 176.000 0.021 0.000 0.964 539 Q CA 1.194 56.992 55.803 -0.009 0.000 0.855 539 Q CB 0.111 28.842 28.738 -0.011 0.000 0.918 539 Q HN 0.206 nan 8.270 nan 0.000 0.444 540 E N 1.008 121.228 120.200 0.034 0.000 2.005 540 E HA -0.170 4.180 4.350 -0.001 0.000 0.198 540 E C 1.611 178.255 176.600 0.074 0.000 1.010 540 E CA 1.833 58.261 56.400 0.048 0.000 0.825 540 E CB -0.312 29.413 29.700 0.043 0.000 0.769 540 E HN 0.418 nan 8.360 nan 0.000 0.456 541 N N 0.029 118.774 118.700 0.075 0.000 2.037 541 N HA -0.239 4.501 4.740 -0.001 0.000 0.196 541 N C 1.597 177.207 175.510 0.167 0.000 1.034 541 N CA 1.542 54.653 53.050 0.102 0.000 0.861 541 N CB -0.153 38.379 38.487 0.074 0.000 1.039 541 N HN 0.089 nan 8.380 nan 0.000 0.427 542 K N 0.360 120.850 120.400 0.150 0.000 2.288 542 K HA -0.019 4.301 4.320 -0.001 0.000 0.201 542 K C 1.795 178.589 176.600 0.324 0.000 1.048 542 K CA 0.398 56.853 56.287 0.280 0.000 0.956 542 K CB 0.104 32.612 32.500 0.013 0.000 0.746 542 K HN 0.131 nan 8.250 nan 0.000 0.461 543 L N 1.810 123.146 121.223 0.188 0.000 2.023 543 L HA -0.128 4.211 4.340 -0.001 0.000 0.205 543 L C 2.007 178.988 176.870 0.184 0.000 1.073 543 L CA 1.775 56.716 54.840 0.168 0.000 0.745 543 L CB -0.690 41.428 42.059 0.098 0.000 0.900 543 L HN 0.119 nan 8.230 nan 0.000 0.435 544 K N -0.951 119.548 120.400 0.164 0.000 1.987 544 K HA -0.275 4.045 4.320 -0.001 0.000 0.216 544 K C 2.004 178.704 176.600 0.166 0.000 1.051 544 K CA 1.938 58.305 56.287 0.133 0.000 0.942 544 K CB -0.489 32.078 32.500 0.112 0.000 0.722 544 K HN 0.046 nan 8.250 nan 0.000 0.444 545 F N 1.117 121.120 119.950 0.087 0.000 2.250 545 F HA -0.141 4.386 4.527 -0.001 0.000 0.301 545 F C 1.845 177.711 175.800 0.110 0.000 1.077 545 F CA 1.127 59.175 58.000 0.081 0.000 1.348 545 F CB -0.144 38.878 39.000 0.036 0.000 1.040 545 F HN 0.015 nan 8.300 nan 0.000 0.509 546 A N -0.823 122.218 122.820 0.370 0.000 2.235 546 A HA 0.343 4.663 4.320 -0.001 0.000 0.208 546 A C 2.093 179.769 177.584 0.153 0.000 1.172 546 A CA 0.938 53.148 52.037 0.288 0.000 0.786 546 A CB -0.995 18.221 19.000 0.360 0.000 0.804 546 A HN 0.388 nan 8.150 nan 0.000 0.479 547 A N -1.548 121.335 122.820 0.105 0.000 1.920 547 A HA 0.147 4.466 4.320 -0.001 0.000 0.209 547 A C 1.882 179.449 177.584 -0.028 0.000 1.229 547 A CA 0.909 52.972 52.037 0.043 0.000 0.671 547 A CB -0.771 18.252 19.000 0.038 0.000 0.886 547 A HN 0.547 nan 8.150 nan 0.000 0.461 548 Y N 0.549 120.721 120.300 -0.214 0.000 2.181 548 Y HA -0.202 4.348 4.550 -0.001 0.000 0.284 548 Y C 1.364 177.054 175.900 -0.350 0.000 1.179 548 Y CA 1.511 59.390 58.100 -0.368 0.000 1.179 548 Y CB -0.150 37.916 38.460 -0.657 0.000 0.973 548 Y HN 0.189 nan 8.280 nan 0.000 0.519 549 L N 0.797 121.924 121.223 -0.160 0.000 2.711 549 L HA -0.057 4.283 4.340 -0.001 0.000 0.242 549 L C 1.096 177.932 176.870 -0.056 0.000 1.153 549 L CA 1.063 55.852 54.840 -0.085 0.000 0.898 549 L CB -0.698 41.387 42.059 0.042 0.000 1.044 549 L HN 0.357 nan 8.230 nan 0.000 0.437 550 E N -2.129 118.003 120.200 -0.113 0.000 2.583 550 E HA 0.105 4.455 4.350 -0.001 0.000 0.204 550 E C 1.812 178.346 176.600 -0.110 0.000 0.860 550 E CA -0.020 56.345 56.400 -0.059 0.000 1.473 550 E CB 0.183 29.881 29.700 -0.003 0.000 1.469 550 E HN 0.264 nan 8.360 nan 0.000 0.788 551 R N 1.002 121.390 120.500 -0.187 0.000 2.100 551 R HA 0.078 4.417 4.340 -0.001 0.000 0.220 551 R C -0.014 176.111 176.300 -0.292 0.000 1.091 551 R CA 0.848 56.833 56.100 -0.192 0.000 0.986 551 R CB 0.496 30.701 30.300 -0.158 0.000 0.888 551 R HN -0.022 nan 8.270 nan 0.000 0.444 552 E N 0.512 120.365 120.200 -0.579 0.000 2.255 552 E HA 0.230 4.580 4.350 -0.001 0.000 0.256 552 E C -1.495 174.643 176.600 -0.771 0.000 0.887 552 E CA -0.688 55.311 56.400 -0.669 0.000 0.782 552 E CB 1.212 30.332 29.700 -0.966 0.000 1.214 552 E HN -0.003 nan 8.360 nan 0.000 0.417 553 Y N -0.466 119.668 120.300 -0.278 0.000 2.506 553 Y HA -0.239 4.311 4.550 -0.000 0.000 0.065 553 Y C -0.509 175.306 175.900 -0.142 0.000 1.701 553 Y CA -0.518 57.481 58.100 -0.168 0.000 1.420 553 Y CB -0.896 37.472 38.460 -0.152 0.000 2.065 553 Y HN 0.530 nan 8.280 nan 0.000 0.254 554 K N -0.841 119.613 120.400 0.090 0.000 2.546 554 K HA 0.868 5.188 4.320 -0.001 0.000 0.264 554 K C -0.315 176.329 176.600 0.075 0.000 0.937 554 K CA -0.154 56.162 56.287 0.048 0.000 0.833 554 K CB 2.967 35.491 32.500 0.041 0.000 1.378 554 K HN 0.440 nan 8.250 nan 0.000 0.432 555 V N -2.146 117.819 119.914 0.085 0.000 3.742 555 V HA 0.265 4.385 4.120 -0.001 0.000 0.178 555 V C -0.207 175.989 176.094 0.170 0.000 1.450 555 V CA 0.027 62.392 62.300 0.109 0.000 1.165 555 V CB -0.131 31.744 31.823 0.086 0.000 1.156 555 V HN 1.047 nan 8.190 nan 0.000 0.565 556 H N 1.178 120.282 119.070 0.056 0.000 3.779 556 H HA -0.068 4.488 4.556 -0.001 0.000 0.397 556 H C -0.723 174.651 175.328 0.077 0.000 1.320 556 H CA -0.117 55.969 56.048 0.064 0.000 1.518 556 H CB -0.568 29.231 29.762 0.061 0.000 1.411 556 H HN 0.293 nan 8.280 nan 0.000 0.467 557 I N 2.031 122.577 120.570 -0.039 0.000 2.926 557 I HA 0.115 4.285 4.170 -0.001 0.000 0.198 557 I C 1.300 177.294 176.117 -0.205 0.000 1.339 557 I CA 0.196 61.471 61.300 -0.042 0.000 0.659 557 I CB 0.162 38.221 38.000 0.099 0.000 1.805 557 I HN 0.698 nan 8.210 nan 0.000 0.995 558 N N 0.829 119.535 118.700 0.009 0.000 2.648 558 N HA 0.236 4.976 4.740 -0.001 0.000 0.272 558 N C -2.614 172.959 175.510 0.104 0.000 1.118 558 N CA -1.209 51.832 53.050 -0.015 0.000 0.973 558 N CB 2.106 40.563 38.487 -0.050 0.000 1.565 558 N HN -0.028 nan 8.380 nan 0.000 0.542 559 P HA 0.059 nan 4.420 nan 0.000 0.222 559 P C 0.468 177.710 177.300 -0.097 0.000 1.147 559 P CA 1.049 64.188 63.100 0.066 0.000 0.790 559 P CB 0.403 32.143 31.700 0.067 0.000 0.780 560 N N -1.257 117.403 118.700 -0.066 0.000 2.300 560 N HA -0.037 4.702 4.740 -0.001 0.000 0.179 560 N C 0.518 175.955 175.510 -0.123 0.000 1.016 560 N CA 0.443 53.429 53.050 -0.106 0.000 0.876 560 N CB -0.330 38.117 38.487 -0.065 0.000 0.979 560 N HN 0.087 nan 8.380 nan 0.000 0.432 561 S N 0.387 116.031 115.700 -0.092 0.000 2.598 561 S HA 0.042 4.511 4.470 -0.001 0.000 0.256 561 S C 0.348 174.925 174.600 -0.039 0.000 1.350 561 S CA -0.475 57.730 58.200 0.008 0.000 0.984 561 S CB 0.495 63.750 63.200 0.092 0.000 0.930 561 S HN 0.160 nan 8.310 nan 0.000 0.577 562 L N 2.029 123.301 121.223 0.081 0.000 2.433 562 L HA 0.186 4.526 4.340 -0.001 0.000 0.275 562 L C -1.026 175.867 176.870 0.037 0.000 1.128 562 L CA -0.043 54.675 54.840 -0.202 0.000 0.875 562 L CB -0.207 41.768 42.059 -0.140 0.000 1.171 562 L HN 0.498 nan 8.230 nan 0.000 0.463 563 F N 2.448 122.303 119.950 -0.159 0.000 2.313 563 F HA 0.186 4.713 4.527 -0.001 0.000 0.369 563 F C 0.432 176.161 175.800 -0.119 0.000 1.109 563 F CA -1.470 56.466 58.000 -0.107 0.000 1.132 563 F CB 0.664 39.601 39.000 -0.107 0.000 1.291 563 F HN 0.336 nan 8.300 nan 0.000 0.496 564 D N 3.597 124.056 120.400 0.098 0.000 2.500 564 D HA 0.287 4.926 4.640 -0.001 0.000 0.219 564 D C -0.912 175.376 176.300 -0.020 0.000 1.137 564 D CA 0.120 54.118 54.000 -0.002 0.000 0.946 564 D CB 0.693 41.498 40.800 0.007 0.000 1.022 564 D HN 0.267 nan 8.370 nan 0.000 0.518 565 V N 2.442 122.333 119.914 -0.039 0.000 2.656 565 V HA 0.556 4.676 4.120 -0.001 0.000 0.307 565 V C -1.323 174.694 176.094 -0.129 0.000 1.051 565 V CA -0.701 61.570 62.300 -0.047 0.000 0.893 565 V CB 1.940 33.776 31.823 0.021 0.000 0.999 565 V HN 0.395 nan 8.190 nan 0.000 0.426 566 Q N 4.457 124.178 119.800 -0.131 0.000 2.327 566 Q HA 0.659 4.999 4.340 -0.001 0.000 0.270 566 Q C -1.550 174.329 176.000 -0.202 0.000 1.022 566 Q CA -0.674 55.022 55.803 -0.178 0.000 0.773 566 Q CB 2.039 30.689 28.738 -0.146 0.000 1.251 566 Q HN 1.092 nan 8.270 nan 0.000 0.457 567 V N 1.594 121.354 119.914 -0.257 0.000 2.380 567 V HA 0.632 4.752 4.120 -0.001 0.000 0.272 567 V C -0.821 175.013 176.094 -0.433 0.000 1.011 567 V CA -0.845 61.143 62.300 -0.520 0.000 0.826 567 V CB 0.976 32.186 31.823 -1.022 0.000 1.040 567 V HN 0.487 nan 8.190 nan 0.000 0.441 568 K N 2.210 122.439 120.400 -0.285 0.000 2.464 568 K HA 0.535 4.855 4.320 -0.001 0.000 0.253 568 K C -0.339 176.209 176.600 -0.086 0.000 0.933 568 K CA -0.893 55.294 56.287 -0.167 0.000 0.801 568 K CB 3.084 35.479 32.500 -0.176 0.000 1.271 568 K HN 0.786 nan 8.250 nan 0.000 0.430 569 R N 2.383 122.870 120.500 -0.022 0.000 2.566 569 R HA -0.014 4.326 4.340 -0.001 0.000 0.273 569 R C 0.531 176.868 176.300 0.061 0.000 0.981 569 R CA 0.069 56.205 56.100 0.060 0.000 1.091 569 R CB 0.302 30.660 30.300 0.097 0.000 0.924 569 R HN 0.440 nan 8.270 nan 0.000 0.411 570 I N 5.519 126.157 120.570 0.114 0.000 2.882 570 I HA -0.055 4.114 4.170 -0.001 0.000 0.276 570 I C 0.441 176.635 176.117 0.128 0.000 1.096 570 I CA 0.368 61.723 61.300 0.091 0.000 1.872 570 I CB -1.860 36.202 38.000 0.104 0.000 1.383 570 I HN 0.449 nan 8.210 nan 0.000 0.758 571 H N 2.307 121.407 119.070 0.050 0.000 2.487 571 H HA 0.172 4.728 4.556 -0.001 0.000 0.333 571 H C 1.088 176.438 175.328 0.037 0.000 1.114 571 H CA -0.074 56.089 56.048 0.192 0.000 1.310 571 H CB 1.131 31.072 29.762 0.297 0.000 1.462 571 H HN 0.320 nan 8.280 nan 0.000 0.516 572 E N 2.652 123.212 120.200 0.599 0.000 2.172 572 E HA -0.346 4.004 4.350 -0.001 0.000 0.213 572 E C 1.101 177.563 176.600 -0.229 0.000 1.051 572 E CA 2.242 58.783 56.400 0.234 0.000 0.860 572 E CB -0.311 29.681 29.700 0.488 0.000 0.755 572 E HN 0.758 nan 8.360 nan 0.000 0.462 573 Y N 0.117 119.882 120.300 -0.893 0.000 2.578 573 Y HA 0.150 4.699 4.550 -0.001 0.000 0.297 573 Y C 1.661 177.196 175.900 -0.609 0.000 1.176 573 Y CA 0.500 57.811 58.100 -1.314 0.000 1.315 573 Y CB 0.103 37.394 38.460 -1.948 0.000 1.031 573 Y HN -0.199 nan 8.280 nan 0.000 0.524 574 K N 0.860 120.767 120.400 -0.822 0.000 2.284 574 K HA 0.186 4.506 4.320 -0.001 0.000 0.198 574 K C 0.589 176.971 176.600 -0.362 0.000 1.048 574 K CA 0.480 56.367 56.287 -0.665 0.000 0.987 574 K CB 0.170 32.375 32.500 -0.492 0.000 0.800 574 K HN 0.263 nan 8.250 nan 0.000 0.486 575 R N -0.390 119.950 120.500 -0.268 0.000 3.822 575 R HA -0.180 4.160 4.340 -0.001 0.000 0.366 575 R C 0.763 176.985 176.300 -0.131 0.000 1.137 575 R CA 0.607 56.603 56.100 -0.175 0.000 0.933 575 R CB -1.484 28.710 30.300 -0.176 0.000 1.522 575 R HN 0.203 nan 8.270 nan 0.000 0.519 576 Q N 0.393 120.129 119.800 -0.107 0.000 2.124 576 Q HA -0.273 4.067 4.340 -0.001 0.000 0.215 576 Q C 1.779 177.753 176.000 -0.042 0.000 1.015 576 Q CA 2.317 58.084 55.803 -0.060 0.000 0.890 576 Q CB -0.501 28.218 28.738 -0.033 0.000 0.966 576 Q HN 0.631 nan 8.270 nan 0.000 0.412 577 L N -0.014 121.180 121.223 -0.047 0.000 2.079 577 L HA -0.205 4.135 4.340 -0.001 0.000 0.210 577 L C 2.455 179.347 176.870 0.037 0.000 1.081 577 L CA 0.743 55.568 54.840 -0.025 0.000 0.752 577 L CB -0.556 41.486 42.059 -0.029 0.000 0.896 577 L HN 0.172 nan 8.230 nan 0.000 0.433 578 L N 0.396 121.626 121.223 0.012 0.000 1.956 578 L HA -0.318 4.022 4.340 -0.001 0.000 0.216 578 L C 2.118 179.068 176.870 0.133 0.000 1.073 578 L CA 2.347 57.205 54.840 0.030 0.000 0.762 578 L CB -0.994 40.934 42.059 -0.220 0.000 0.889 578 L HN 0.330 nan 8.230 nan 0.000 0.433 579 N N -1.910 116.818 118.700 0.048 0.000 2.258 579 N HA -0.214 4.526 4.740 -0.001 0.000 0.187 579 N C 1.691 177.329 175.510 0.214 0.000 1.012 579 N CA 1.571 54.765 53.050 0.238 0.000 0.870 579 N CB -0.083 38.463 38.487 0.098 0.000 0.977 579 N HN 0.579 nan 8.380 nan 0.000 0.434 580 C N -0.470 118.894 119.300 0.107 0.000 2.495 580 C HA 0.154 4.613 4.460 -0.001 0.000 0.275 580 C C 2.359 177.411 174.990 0.104 0.000 1.392 580 C CA -0.286 58.755 59.018 0.038 0.000 1.766 580 C CB -1.147 26.543 27.740 -0.085 0.000 1.933 580 C HN 0.487 nan 8.230 nan 0.000 0.519 581 L N 0.430 121.782 121.223 0.215 0.000 2.044 581 L HA -0.143 4.196 4.340 -0.001 0.000 0.205 581 L C 2.905 179.982 176.870 0.345 0.000 1.075 581 L CA 1.697 56.722 54.840 0.309 0.000 0.747 581 L CB -1.037 41.283 42.059 0.434 0.000 0.903 581 L HN 0.538 nan 8.230 nan 0.000 0.435 582 H N -0.133 119.106 119.070 0.282 0.000 2.353 582 H HA -0.169 4.387 4.556 -0.001 0.000 0.298 582 H C 2.076 177.459 175.328 0.092 0.000 1.103 582 H CA 2.101 58.230 56.048 0.135 0.000 1.293 582 H CB 0.307 30.140 29.762 0.118 0.000 1.372 582 H HN 0.125 nan 8.280 nan 0.000 0.501 583 V N 1.104 120.927 119.914 -0.152 0.000 2.591 583 V HA -0.155 3.965 4.120 -0.001 0.000 0.249 583 V C 2.679 178.774 176.094 0.002 0.000 1.053 583 V CA 1.163 63.335 62.300 -0.213 0.000 1.068 583 V CB -0.272 31.506 31.823 -0.074 0.000 0.689 583 V HN 0.347 nan 8.190 nan 0.000 0.462 584 I N -0.042 120.602 120.570 0.124 0.000 2.614 584 I HA -0.191 3.979 4.170 -0.001 0.000 0.258 584 I C 2.384 178.645 176.117 0.239 0.000 1.189 584 I CA 1.348 62.814 61.300 0.277 0.000 1.462 584 I CB -0.558 37.657 38.000 0.360 0.000 1.092 584 I HN 0.290 nan 8.210 nan 0.000 0.442 585 T N 1.068 115.707 114.554 0.142 0.000 2.701 585 T HA -0.114 4.235 4.350 -0.001 0.000 0.263 585 T C 1.841 176.558 174.700 0.027 0.000 1.040 585 T CA 1.201 63.362 62.100 0.102 0.000 1.147 585 T CB -0.216 68.713 68.868 0.101 0.000 0.865 585 T HN 0.057 nan 8.240 nan 0.000 0.426 586 L N 0.354 121.537 121.223 -0.066 0.000 1.971 586 L HA -0.081 4.258 4.340 -0.001 0.000 0.215 586 L C 2.178 179.054 176.870 0.010 0.000 1.072 586 L CA 1.716 56.514 54.840 -0.071 0.000 0.758 586 L CB -1.412 40.544 42.059 -0.173 0.000 0.889 586 L HN 0.318 nan 8.230 nan 0.000 0.433 587 Y N 0.721 121.003 120.300 -0.030 0.000 2.132 587 Y HA -0.365 4.185 4.550 -0.001 0.000 0.280 587 Y C 2.512 178.416 175.900 0.006 0.000 1.193 587 Y CA 2.055 60.165 58.100 0.017 0.000 1.157 587 Y CB -0.378 38.138 38.460 0.094 0.000 0.966 587 Y HN 0.320 nan 8.280 nan 0.000 0.511 588 N N 0.300 118.976 118.700 -0.041 0.000 2.028 588 N HA -0.171 4.569 4.740 -0.001 0.000 0.194 588 N C 1.918 177.323 175.510 -0.175 0.000 1.050 588 N CA 1.816 54.777 53.050 -0.148 0.000 0.848 588 N CB -0.571 37.910 38.487 -0.011 0.000 1.038 588 N HN 0.347 nan 8.380 nan 0.000 0.423 589 R N 0.955 121.396 120.500 -0.098 0.000 2.171 589 R HA -0.098 4.242 4.340 -0.001 0.000 0.232 589 R C 2.401 178.633 176.300 -0.114 0.000 1.116 589 R CA 1.595 57.643 56.100 -0.086 0.000 0.901 589 R CB -0.831 29.433 30.300 -0.060 0.000 0.850 589 R HN 0.234 nan 8.270 nan 0.000 0.431 590 I N 0.691 121.188 120.570 -0.121 0.000 2.182 590 I HA -0.420 3.749 4.170 -0.001 0.000 0.248 590 I C 2.443 178.459 176.117 -0.168 0.000 1.073 590 I CA 1.596 62.819 61.300 -0.127 0.000 1.335 590 I CB -0.387 37.542 38.000 -0.118 0.000 1.031 590 I HN 0.266 nan 8.210 nan 0.000 0.420 591 K N 0.491 120.730 120.400 -0.269 0.000 2.296 591 K HA -0.153 4.167 4.320 -0.001 0.000 0.200 591 K C 2.115 178.612 176.600 -0.172 0.000 1.048 591 K CA 0.678 56.806 56.287 -0.266 0.000 0.966 591 K CB 0.061 32.289 32.500 -0.453 0.000 0.754 591 K HN 0.277 nan 8.250 nan 0.000 0.466 592 K N 0.878 121.191 120.400 -0.146 0.000 2.116 592 K HA -0.055 4.265 4.320 -0.001 0.000 0.203 592 K C 0.123 176.679 176.600 -0.073 0.000 1.052 592 K CA 0.956 57.183 56.287 -0.100 0.000 0.952 592 K CB 0.413 32.860 32.500 -0.087 0.000 0.729 592 K HN -0.045 nan 8.250 nan 0.000 0.446 593 E N 1.124 121.280 120.200 -0.072 0.000 2.674 593 E HA 0.120 4.470 4.350 -0.001 0.000 0.240 593 E C -2.286 174.283 176.600 -0.051 0.000 1.213 593 E CA -1.730 54.640 56.400 -0.051 0.000 1.357 593 E CB 1.272 30.945 29.700 -0.045 0.000 1.467 593 E HN 0.230 nan 8.360 nan 0.000 0.448 594 P HA -0.125 nan 4.420 nan 0.000 0.224 594 P C 0.624 177.910 177.300 -0.023 0.000 1.142 594 P CA 1.084 64.158 63.100 -0.043 0.000 0.778 594 P CB 0.282 31.961 31.700 -0.035 0.000 0.764 595 N N -2.077 116.615 118.700 -0.013 0.000 2.184 595 N HA 0.018 4.758 4.740 -0.001 0.000 0.206 595 N C 0.426 175.947 175.510 0.018 0.000 1.151 595 N CA -0.016 53.038 53.050 0.007 0.000 0.878 595 N CB 0.342 38.836 38.487 0.011 0.000 1.014 595 N HN 0.080 nan 8.380 nan 0.000 0.512 596 K N 1.410 121.810 120.400 0.000 0.000 2.368 596 K HA 0.033 4.353 4.320 -0.001 0.000 0.282 596 K C -0.446 176.173 176.600 0.032 0.000 1.035 596 K CA -0.377 55.920 56.287 0.017 0.000 0.973 596 K CB 0.282 32.773 32.500 -0.014 0.000 0.957 596 K HN -0.049 nan 8.250 nan 0.000 0.474 597 F N 5.653 125.597 119.950 -0.011 0.000 2.518 597 F HA 0.081 4.608 4.527 -0.001 0.000 0.375 597 F C -0.379 175.417 175.800 -0.007 0.000 1.097 597 F CA -0.130 57.863 58.000 -0.011 0.000 1.108 597 F CB 0.243 39.235 39.000 -0.013 0.000 1.078 597 F HN 0.077 nan 8.300 nan 0.000 0.564 598 V N 8.265 127.697 119.914 -0.804 0.000 2.444 598 V HA 0.443 4.563 4.120 -0.001 0.000 0.294 598 V C -0.801 174.802 176.094 -0.818 0.000 1.022 598 V CA -0.764 61.158 62.300 -0.629 0.000 0.850 598 V CB 1.536 33.190 31.823 -0.280 0.000 0.992 598 V HN 0.526 nan 8.190 nan 0.000 0.426 599 V N 10.335 129.824 119.914 -0.708 0.000 2.475 599 V HA 0.170 4.290 4.120 -0.001 0.000 0.292 599 V C -1.418 174.571 176.094 -0.175 0.000 1.003 599 V CA -0.565 61.494 62.300 -0.401 0.000 1.120 599 V CB 0.094 31.859 31.823 -0.096 0.000 0.937 599 V HN 0.885 nan 8.190 nan 0.000 0.476 600 P HA 0.438 nan 4.420 nan 0.000 0.276 600 P C -0.722 176.596 177.300 0.029 0.000 1.252 600 P CA -0.624 62.452 63.100 -0.039 0.000 0.802 600 P CB 1.139 32.828 31.700 -0.019 0.000 1.035 601 R N -0.412 120.107 120.500 0.032 0.000 2.651 601 R HA 0.554 4.894 4.340 -0.001 0.000 0.278 601 R C -0.845 175.506 176.300 0.084 0.000 1.010 601 R CA -0.643 55.492 56.100 0.059 0.000 0.896 601 R CB 2.037 32.356 30.300 0.031 0.000 1.211 601 R HN 0.369 nan 8.270 nan 0.000 0.456 602 T N 1.169 115.815 114.554 0.153 0.000 2.791 602 T HA 0.344 4.694 4.350 -0.001 0.000 0.288 602 T C -0.127 174.629 174.700 0.093 0.000 0.999 602 T CA -0.768 61.411 62.100 0.132 0.000 0.952 602 T CB 1.288 70.275 68.868 0.199 0.000 0.938 602 T HN 0.256 nan 8.240 nan 0.000 0.444 603 V N 3.448 123.384 119.914 0.037 0.000 2.370 603 V HA 0.576 4.696 4.120 -0.001 0.000 0.279 603 V C -0.150 175.940 176.094 -0.007 0.000 1.029 603 V CA -0.785 61.526 62.300 0.019 0.000 0.870 603 V CB 0.908 32.747 31.823 0.028 0.000 0.984 603 V HN 0.910 nan 8.190 nan 0.000 0.451 604 M N 5.975 125.556 119.600 -0.032 0.000 2.053 604 M HA 0.565 5.044 4.480 -0.001 0.000 0.297 604 M C -1.081 175.169 176.300 -0.084 0.000 0.921 604 M CA -0.060 55.203 55.300 -0.061 0.000 0.918 604 M CB 1.968 34.510 32.600 -0.096 0.000 1.499 604 M HN 0.517 nan 8.290 nan 0.000 0.422 605 I N 2.049 122.561 120.570 -0.097 0.000 2.359 605 I HA 0.774 4.944 4.170 -0.001 0.000 0.294 605 I C 0.428 176.344 176.117 -0.336 0.000 0.987 605 I CA -0.498 60.735 61.300 -0.112 0.000 1.225 605 I CB 1.855 39.894 38.000 0.064 0.000 1.366 605 I HN 0.760 nan 8.210 nan 0.000 0.466 606 G N 3.267 111.870 108.800 -0.327 0.000 2.731 606 G HA2 0.739 4.699 3.960 -0.001 0.000 0.298 606 G HA3 0.739 4.699 3.960 -0.001 0.000 0.298 606 G C -0.933 173.812 174.900 -0.259 0.000 1.424 606 G CA -0.511 44.327 45.100 -0.437 0.000 1.029 606 G HN 0.952 nan 8.290 nan 0.000 0.518 607 G N 0.177 108.947 108.800 -0.051 0.000 2.320 607 G HA2 0.536 4.496 3.960 -0.001 0.000 0.296 607 G HA3 0.536 4.496 3.960 -0.001 0.000 0.296 607 G C -1.659 173.392 174.900 0.253 0.000 1.306 607 G CA -0.986 44.190 45.100 0.126 0.000 0.836 607 G HN 0.627 nan 8.290 nan 0.000 0.517 608 K N 0.356 120.894 120.400 0.230 0.000 2.244 608 K HA 0.671 4.991 4.320 -0.001 0.000 0.260 608 K C 0.989 177.763 176.600 0.289 0.000 0.951 608 K CA -0.129 56.323 56.287 0.276 0.000 0.826 608 K CB 2.307 34.892 32.500 0.142 0.000 1.108 608 K HN 0.654 nan 8.250 nan 0.000 0.433 609 A N 2.928 125.924 122.820 0.293 0.000 2.125 609 A HA 0.271 4.591 4.320 -0.001 0.000 0.199 609 A C 0.309 178.065 177.584 0.287 0.000 1.193 609 A CA 1.610 53.775 52.037 0.214 0.000 0.747 609 A CB -0.445 18.627 19.000 0.120 0.000 0.853 609 A HN 0.863 nan 8.150 nan 0.000 0.513 610 A N -2.611 120.379 122.820 0.283 0.000 2.272 610 A HA 0.519 4.839 4.320 -0.001 0.000 0.286 610 A C -3.320 174.338 177.584 0.124 0.000 0.977 610 A CA -0.731 51.461 52.037 0.260 0.000 0.822 610 A CB -0.319 18.843 19.000 0.270 0.000 0.955 610 A HN 0.255 nan 8.150 nan 0.000 0.349 611 P HA 0.479 nan 4.420 nan 0.000 0.275 611 P C 1.222 178.519 177.300 -0.006 0.000 1.227 611 P CA 1.674 64.694 63.100 -0.133 0.000 0.781 611 P CB 1.141 32.670 31.700 -0.285 0.000 0.906 612 G N 1.209 110.014 108.800 0.009 0.000 2.245 612 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.264 612 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.264 612 G C -0.134 174.862 174.900 0.162 0.000 0.985 612 G CA -0.128 45.006 45.100 0.056 0.000 0.625 612 G HN 0.580 nan 8.290 nan 0.000 0.536 613 Y N 2.552 122.862 120.300 0.018 0.000 2.539 613 Y HA 0.447 4.997 4.550 -0.001 0.000 0.352 613 Y C 1.384 177.327 175.900 0.071 0.000 1.004 613 Y CA -0.684 57.437 58.100 0.035 0.000 1.278 613 Y CB -0.132 38.326 38.460 -0.004 0.000 1.136 613 Y HN 0.374 nan 8.280 nan 0.000 0.528 614 H N 4.900 124.056 119.070 0.145 0.000 2.436 614 H HA -0.114 4.441 4.556 -0.001 0.000 0.294 614 H C 1.481 176.779 175.328 -0.051 0.000 1.048 614 H CA 1.477 57.545 56.048 0.032 0.000 1.353 614 H CB 0.485 30.282 29.762 0.059 0.000 1.414 614 H HN 0.683 nan 8.280 nan 0.000 0.536 615 M N 1.402 120.903 119.600 -0.164 0.000 2.059 615 M HA -0.078 4.402 4.480 -0.001 0.000 0.259 615 M C 2.679 178.671 176.300 -0.514 0.000 1.072 615 M CA 2.026 57.138 55.300 -0.312 0.000 1.117 615 M CB -0.996 31.510 32.600 -0.157 0.000 1.320 615 M HN 0.306 nan 8.290 nan 0.000 0.408 616 A N -0.474 121.773 122.820 -0.954 0.000 1.986 616 A HA -0.255 4.064 4.320 -0.001 0.000 0.220 616 A C 2.195 179.627 177.584 -0.253 0.000 1.171 616 A CA 2.183 53.887 52.037 -0.554 0.000 0.640 616 A CB -0.831 17.857 19.000 -0.520 0.000 0.811 616 A HN 0.626 nan 8.150 nan 0.000 0.451 617 K N -1.432 118.852 120.400 -0.193 0.000 2.217 617 K HA -0.026 4.293 4.320 -0.001 0.000 0.202 617 K C 1.881 178.489 176.600 0.013 0.000 1.051 617 K CA 1.122 57.381 56.287 -0.046 0.000 0.952 617 K CB -0.164 32.334 32.500 -0.002 0.000 0.736 617 K HN 0.357 nan 8.250 nan 0.000 0.453 618 M N 0.479 120.005 119.600 -0.124 0.000 2.200 618 M HA -0.047 4.432 4.480 -0.001 0.000 0.265 618 M C 2.062 178.370 176.300 0.013 0.000 1.066 618 M CA 1.379 56.656 55.300 -0.037 0.000 1.127 618 M CB -0.561 31.931 32.600 -0.180 0.000 1.379 618 M HN 0.108 nan 8.290 nan 0.000 0.420 619 I N -0.009 120.498 120.570 -0.105 0.000 2.142 619 I HA -0.306 3.864 4.170 -0.001 0.000 0.240 619 I C 2.150 178.145 176.117 -0.204 0.000 1.078 619 I CA 1.353 62.565 61.300 -0.146 0.000 1.343 619 I CB -0.505 37.405 38.000 -0.151 0.000 1.046 619 I HN 0.153 nan 8.210 nan 0.000 0.405 620 I N 0.687 121.095 120.570 -0.269 0.000 2.567 620 I HA -0.247 3.923 4.170 -0.001 0.000 0.257 620 I C 2.451 178.308 176.117 -0.434 0.000 1.184 620 I CA 0.959 61.917 61.300 -0.570 0.000 1.451 620 I CB -0.328 37.329 38.000 -0.572 0.000 1.089 620 I HN 0.158 nan 8.210 nan 0.000 0.441 621 K N 1.568 121.829 120.400 -0.232 0.000 2.057 621 K HA -0.095 4.224 4.320 -0.001 0.000 0.206 621 K C 1.937 178.471 176.600 -0.109 0.000 1.050 621 K CA 1.380 57.492 56.287 -0.290 0.000 0.935 621 K CB -0.389 31.884 32.500 -0.378 0.000 0.715 621 K HN 0.207 nan 8.250 nan 0.000 0.439 622 L N 0.563 121.766 121.223 -0.032 0.000 1.943 622 L HA -0.211 4.129 4.340 -0.001 0.000 0.215 622 L C 2.192 178.892 176.870 -0.283 0.000 1.074 622 L CA 1.975 56.661 54.840 -0.256 0.000 0.759 622 L CB -0.413 41.337 42.059 -0.514 0.000 0.888 622 L HN 0.234 nan 8.230 nan 0.000 0.433 623 I N -0.474 119.936 120.570 -0.266 0.000 2.381 623 I HA -0.344 3.825 4.170 -0.001 0.000 0.255 623 I C 2.495 178.517 176.117 -0.159 0.000 1.140 623 I CA 1.653 62.841 61.300 -0.187 0.000 1.404 623 I CB -1.037 36.915 38.000 -0.079 0.000 1.075 623 I HN 0.552 nan 8.210 nan 0.000 0.433 624 T N -0.340 114.088 114.554 -0.211 0.000 2.643 624 T HA -0.045 4.305 4.350 -0.001 0.000 0.256 624 T C 2.184 176.794 174.700 -0.150 0.000 1.061 624 T CA 0.837 62.847 62.100 -0.149 0.000 1.163 624 T CB -0.825 67.926 68.868 -0.195 0.000 0.865 624 T HN 0.323 nan 8.240 nan 0.000 0.407 625 A N 1.752 124.469 122.820 -0.172 0.000 1.954 625 A HA -0.121 4.199 4.320 -0.001 0.000 0.222 625 A C 2.418 179.887 177.584 -0.191 0.000 1.199 625 A CA 2.057 54.011 52.037 -0.139 0.000 0.657 625 A CB -1.290 17.687 19.000 -0.038 0.000 0.823 625 A HN 0.653 nan 8.150 nan 0.000 0.463 626 I N -0.810 119.525 120.570 -0.392 0.000 2.052 626 I HA -0.277 3.893 4.170 -0.001 0.000 0.235 626 I C 2.814 178.831 176.117 -0.166 0.000 1.046 626 I CA 1.497 62.522 61.300 -0.458 0.000 1.308 626 I CB -0.900 36.841 38.000 -0.432 0.000 1.031 626 I HN 0.419 nan 8.210 nan 0.000 0.395 627 G N 0.458 109.170 108.800 -0.146 0.000 2.476 627 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.218 627 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.218 627 G C 1.242 176.061 174.900 -0.135 0.000 1.164 627 G CA 1.319 46.352 45.100 -0.111 0.000 0.768 627 G HN 0.432 nan 8.290 nan 0.000 0.560 628 D N 0.156 120.510 120.400 -0.077 0.000 2.218 628 D HA -0.084 4.556 4.640 -0.001 0.000 0.204 628 D C 2.573 178.891 176.300 0.029 0.000 0.976 628 D CA 0.726 54.736 54.000 0.018 0.000 0.853 628 D CB -0.027 40.828 40.800 0.091 0.000 0.939 628 D HN 0.258 nan 8.370 nan 0.000 0.481 629 V N 1.575 121.464 119.914 -0.042 0.000 2.231 629 V HA -0.223 3.897 4.120 -0.001 0.000 0.240 629 V C 2.848 178.893 176.094 -0.081 0.000 1.039 629 V CA 1.717 63.970 62.300 -0.078 0.000 0.998 629 V CB -0.470 31.262 31.823 -0.152 0.000 0.639 629 V HN 0.101 nan 8.190 nan 0.000 0.451 630 V N -0.403 119.420 119.914 -0.153 0.000 2.255 630 V HA -0.239 3.881 4.120 -0.001 0.000 0.247 630 V C 1.939 178.026 176.094 -0.012 0.000 1.051 630 V CA 2.474 64.737 62.300 -0.062 0.000 1.018 630 V CB -1.269 30.521 31.823 -0.056 0.000 0.641 630 V HN 0.592 nan 8.190 nan 0.000 0.445 631 N N 0.296 118.895 118.700 -0.169 0.000 2.550 631 N HA -0.073 4.667 4.740 -0.001 0.000 0.186 631 N C 0.968 176.263 175.510 -0.359 0.000 1.110 631 N CA 1.376 54.282 53.050 -0.241 0.000 0.912 631 N CB -0.353 37.950 38.487 -0.307 0.000 0.968 631 N HN 0.805 nan 8.380 nan 0.000 0.448 632 H N -1.292 117.819 119.070 0.069 0.000 2.512 632 H HA 0.233 4.789 4.556 -0.001 0.000 0.276 632 H C -0.791 174.587 175.328 0.082 0.000 1.126 632 H CA -0.537 55.549 56.048 0.064 0.000 1.060 632 H CB 0.521 30.305 29.762 0.037 0.000 1.646 632 H HN 0.056 nan 8.280 nan 0.000 0.571 633 D N 0.356 120.849 120.400 0.154 0.000 2.217 633 D HA 0.165 4.804 4.640 -0.001 0.000 0.243 633 D C -1.749 174.634 176.300 0.139 0.000 1.054 633 D CA -2.297 51.809 54.000 0.175 0.000 0.838 633 D CB 2.231 43.194 40.800 0.272 0.000 1.162 633 D HN -0.113 nan 8.370 nan 0.000 0.472 634 P HA -0.088 nan 4.420 nan 0.000 0.215 634 P C 1.397 178.739 177.300 0.070 0.000 1.157 634 P CA 0.323 63.473 63.100 0.084 0.000 0.856 634 P CB 0.230 31.970 31.700 0.067 0.000 0.786 635 V N 0.022 119.969 119.914 0.055 0.000 2.380 635 V HA -0.218 3.902 4.120 -0.001 0.000 0.251 635 V C 2.386 178.493 176.094 0.022 0.000 1.063 635 V CA 2.028 64.341 62.300 0.023 0.000 1.055 635 V CB -1.488 30.327 31.823 -0.015 0.000 0.657 635 V HN -0.020 nan 8.190 nan 0.000 0.455 636 V N 0.110 120.054 119.914 0.050 0.000 2.548 636 V HA 0.106 4.226 4.120 -0.001 0.000 0.249 636 V C 2.184 178.316 176.094 0.064 0.000 1.055 636 V CA 1.333 63.670 62.300 0.062 0.000 1.065 636 V CB -1.701 30.210 31.823 0.147 0.000 0.681 636 V HN 0.659 nan 8.190 nan 0.000 0.462 637 G N 2.027 110.873 108.800 0.077 0.000 2.774 637 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.342 637 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.342 637 G C 0.528 175.485 174.900 0.096 0.000 1.185 637 G CA 0.935 46.086 45.100 0.085 0.000 0.956 637 G HN 0.856 nan 8.290 nan 0.000 0.561 638 D N 0.050 120.497 120.400 0.079 0.000 2.908 638 D HA 0.345 4.985 4.640 -0.001 0.000 0.361 638 D C 1.320 177.638 176.300 0.031 0.000 1.416 638 D CA -0.222 53.811 54.000 0.056 0.000 0.796 638 D CB -0.051 40.788 40.800 0.066 0.000 1.185 638 D HN 0.569 nan 8.370 nan 0.000 0.451 639 R N -0.309 120.210 120.500 0.032 0.000 2.156 639 R HA 0.328 4.668 4.340 -0.001 0.000 0.207 639 R C 0.478 176.787 176.300 0.015 0.000 1.040 639 R CA 0.220 56.325 56.100 0.010 0.000 1.013 639 R CB 0.912 31.207 30.300 -0.009 0.000 0.931 639 R HN 0.111 nan 8.270 nan 0.000 0.465 640 L N 1.789 123.034 121.223 0.038 0.000 2.471 640 L HA 0.431 4.770 4.340 -0.001 0.000 0.263 640 L C -1.385 175.513 176.870 0.047 0.000 0.985 640 L CA -0.339 54.529 54.840 0.047 0.000 0.868 640 L CB 1.290 43.396 42.059 0.077 0.000 1.203 640 L HN 0.135 nan 8.230 nan 0.000 0.429 641 R N 3.751 124.270 120.500 0.031 0.000 2.437 641 R HA 0.641 4.981 4.340 -0.001 0.000 0.310 641 R C -0.921 175.385 176.300 0.010 0.000 0.955 641 R CA -0.681 55.428 56.100 0.015 0.000 0.851 641 R CB 2.689 32.996 30.300 0.011 0.000 1.161 641 R HN 0.333 nan 8.270 nan 0.000 0.446 642 V N 4.320 124.231 119.914 -0.005 0.000 2.483 642 V HA 0.594 4.714 4.120 -0.001 0.000 0.295 642 V C 0.207 176.310 176.094 0.015 0.000 1.035 642 V CA -0.766 61.535 62.300 0.000 0.000 0.896 642 V CB 1.785 33.598 31.823 -0.017 0.000 0.986 642 V HN 0.656 nan 8.190 nan 0.000 0.447 643 I N 3.598 124.187 120.570 0.032 0.000 2.607 643 I HA 0.391 4.560 4.170 -0.001 0.000 0.290 643 I C -1.488 174.662 176.117 0.055 0.000 1.129 643 I CA -0.325 61.003 61.300 0.047 0.000 1.042 643 I CB 2.579 40.593 38.000 0.022 0.000 1.242 643 I HN 0.553 nan 8.210 nan 0.000 0.421 644 F N 7.108 127.054 119.950 -0.008 0.000 2.391 644 F HA 0.459 4.986 4.527 -0.001 0.000 0.359 644 F C -0.369 175.443 175.800 0.020 0.000 1.122 644 F CA -0.451 57.546 58.000 -0.006 0.000 1.120 644 F CB 0.847 39.829 39.000 -0.030 0.000 1.142 644 F HN 0.213 nan 8.300 nan 0.000 0.483 645 L N 6.155 127.048 121.223 -0.549 0.000 2.356 645 L HA 0.172 4.511 4.340 -0.001 0.000 0.282 645 L C 0.449 177.182 176.870 -0.227 0.000 1.132 645 L CA -0.169 54.556 54.840 -0.192 0.000 0.923 645 L CB 0.129 42.198 42.059 0.017 0.000 1.278 645 L HN 0.589 nan 8.230 nan 0.000 0.436 646 E N 4.702 124.781 120.200 -0.202 0.000 2.415 646 E HA -0.130 4.219 4.350 -0.001 0.000 0.260 646 E C 0.202 176.810 176.600 0.013 0.000 1.016 646 E CA -0.056 56.278 56.400 -0.111 0.000 0.924 646 E CB 0.254 29.785 29.700 -0.281 0.000 0.961 646 E HN 0.573 nan 8.360 nan 0.000 0.459 647 N N 3.857 122.612 118.700 0.093 0.000 2.806 647 N HA -0.257 4.483 4.740 -0.001 0.000 0.248 647 N C -1.531 174.031 175.510 0.086 0.000 1.081 647 N CA 0.502 53.613 53.050 0.103 0.000 0.680 647 N CB -1.911 36.640 38.487 0.106 0.000 0.941 647 N HN 0.581 nan 8.380 nan 0.000 0.554 648 Y N 1.812 122.126 120.300 0.024 0.000 2.702 648 Y HA 0.276 4.826 4.550 -0.000 0.000 0.336 648 Y C 1.116 177.030 175.900 0.023 0.000 1.235 648 Y CA 1.102 59.214 58.100 0.019 0.000 1.492 648 Y CB 0.462 38.909 38.460 -0.022 0.000 1.308 648 Y HN 0.490 nan 8.280 nan 0.000 0.589 649 R N 2.536 122.542 120.500 -0.823 0.000 2.826 649 R HA 0.360 4.700 4.340 -0.001 0.000 0.269 649 R C -0.892 175.033 176.300 -0.625 0.000 1.031 649 R CA -0.391 55.382 56.100 -0.546 0.000 0.900 649 R CB 0.286 30.446 30.300 -0.234 0.000 1.318 649 R HN 0.452 nan 8.270 nan 0.000 0.447 650 V N 1.102 120.724 119.914 -0.487 0.000 2.407 650 V HA -0.200 3.920 4.120 -0.001 0.000 0.248 650 V C 2.234 178.183 176.094 -0.241 0.000 1.055 650 V CA 2.604 64.692 62.300 -0.353 0.000 1.049 650 V CB -0.520 31.063 31.823 -0.401 0.000 0.662 650 V HN 0.847 nan 8.190 nan 0.000 0.455 651 S N -1.284 114.273 115.700 -0.238 0.000 2.562 651 S HA 0.099 4.568 4.470 -0.001 0.000 0.221 651 S C 1.756 176.245 174.600 -0.184 0.000 0.975 651 S CA 0.512 58.595 58.200 -0.195 0.000 0.918 651 S CB -0.096 63.003 63.200 -0.168 0.000 0.772 651 S HN 0.507 nan 8.310 nan 0.000 0.531 652 L N 0.340 121.432 121.223 -0.218 0.000 2.307 652 L HA 0.232 4.572 4.340 -0.001 0.000 0.211 652 L C 2.709 179.533 176.870 -0.077 0.000 1.099 652 L CA 0.774 55.516 54.840 -0.164 0.000 0.816 652 L CB -0.588 41.386 42.059 -0.142 0.000 0.952 652 L HN 0.451 nan 8.230 nan 0.000 0.455 653 A N 1.126 123.845 122.820 -0.168 0.000 1.827 653 A HA -0.271 4.049 4.320 -0.001 0.000 0.215 653 A C 1.866 179.525 177.584 0.124 0.000 1.212 653 A CA 1.904 53.984 52.037 0.072 0.000 0.624 653 A CB -0.969 18.129 19.000 0.163 0.000 0.853 653 A HN 0.589 nan 8.150 nan 0.000 0.450 654 E N 0.325 120.641 120.200 0.193 0.000 2.352 654 E HA -0.288 4.062 4.350 -0.001 0.000 0.203 654 E C 1.581 178.181 176.600 -0.001 0.000 1.024 654 E CA 1.579 58.019 56.400 0.067 0.000 0.842 654 E CB -0.373 29.230 29.700 -0.161 0.000 0.753 654 E HN 0.719 nan 8.360 nan 0.000 0.508 655 K N 0.785 121.185 120.400 0.001 0.000 2.054 655 K HA 0.038 4.358 4.320 -0.001 0.000 0.207 655 K C 2.337 178.984 176.600 0.079 0.000 1.031 655 K CA 0.718 57.051 56.287 0.077 0.000 0.952 655 K CB -0.597 31.918 32.500 0.026 0.000 0.775 655 K HN -0.044 nan 8.250 nan 0.000 0.447 656 V N 2.801 122.724 119.914 0.014 0.000 2.250 656 V HA -0.310 3.810 4.120 -0.001 0.000 0.253 656 V C 2.215 178.079 176.094 -0.383 0.000 1.065 656 V CA 1.846 63.874 62.300 -0.455 0.000 1.039 656 V CB -0.337 31.380 31.823 -0.178 0.000 0.647 656 V HN 0.310 nan 8.190 nan 0.000 0.446 657 I N -0.432 119.934 120.570 -0.341 0.000 2.208 657 I HA -0.182 3.988 4.170 -0.001 0.000 0.245 657 I C -0.049 175.890 176.117 -0.297 0.000 1.097 657 I CA 1.841 62.790 61.300 -0.586 0.000 1.363 657 I CB -1.444 36.175 38.000 -0.635 0.000 1.051 657 I HN 0.390 nan 8.210 nan 0.000 0.413 658 P HA -0.157 nan 4.420 nan 0.000 0.215 658 P C 0.937 178.212 177.300 -0.043 0.000 1.153 658 P CA 1.490 64.557 63.100 -0.054 0.000 0.853 658 P CB 0.014 31.712 31.700 -0.004 0.000 0.788 659 A N -1.492 121.269 122.820 -0.098 0.000 2.310 659 A HA 0.457 4.777 4.320 -0.001 0.000 0.230 659 A C 0.859 178.511 177.584 0.114 0.000 1.294 659 A CA 0.101 52.142 52.037 0.007 0.000 0.898 659 A CB -1.080 17.906 19.000 -0.023 0.000 0.917 659 A HN 0.183 nan 8.150 nan 0.000 0.491 660 A N -0.523 122.326 122.820 0.048 0.000 2.312 660 A HA 0.597 4.917 4.320 -0.001 0.000 0.328 660 A C 0.219 177.879 177.584 0.126 0.000 1.158 660 A CA -0.512 51.606 52.037 0.135 0.000 0.821 660 A CB 0.732 19.872 19.000 0.233 0.000 1.170 660 A HN 0.272 nan 8.150 nan 0.000 0.490 661 D N 0.791 121.240 120.400 0.082 0.000 2.735 661 D HA 0.079 4.719 4.640 -0.001 0.000 0.267 661 D C 0.219 176.555 176.300 0.059 0.000 1.081 661 D CA 0.564 54.625 54.000 0.103 0.000 0.980 661 D CB -0.013 40.713 40.800 -0.124 0.000 1.129 661 D HN 0.352 nan 8.370 nan 0.000 0.459 662 L N 2.138 123.333 121.223 -0.046 0.000 2.259 662 L HA 0.189 4.529 4.340 -0.001 0.000 0.288 662 L C -0.028 176.716 176.870 -0.209 0.000 1.051 662 L CA -0.123 54.618 54.840 -0.165 0.000 0.824 662 L CB 1.240 43.168 42.059 -0.219 0.000 1.206 662 L HN -0.070 nan 8.230 nan 0.000 0.429 663 S N 4.924 120.409 115.700 -0.359 0.000 2.400 663 S HA 0.140 4.610 4.470 -0.001 0.000 0.295 663 S C 0.185 174.466 174.600 -0.532 0.000 1.113 663 S CA -0.575 57.169 58.200 -0.760 0.000 1.064 663 S CB 0.114 62.650 63.200 -1.106 0.000 0.990 663 S HN 0.543 nan 8.310 nan 0.000 0.502 664 E N 4.093 124.040 120.200 -0.421 0.000 1.893 664 E HA 0.087 4.437 4.350 -0.001 0.000 0.269 664 E C -0.468 175.975 176.600 -0.261 0.000 1.129 664 E CA -0.246 55.988 56.400 -0.276 0.000 0.904 664 E CB 0.638 30.230 29.700 -0.180 0.000 1.077 664 E HN 0.591 nan 8.360 nan 0.000 0.407 665 Q N 2.122 121.789 119.800 -0.221 0.000 3.247 665 Q HA 0.123 4.463 4.340 -0.001 0.000 0.326 665 Q C 0.670 176.619 176.000 -0.085 0.000 1.402 665 Q CA 0.019 55.729 55.803 -0.155 0.000 0.994 665 Q CB -0.451 28.220 28.738 -0.111 0.000 1.647 665 Q HN 0.561 nan 8.270 nan 0.000 0.523 666 I N -2.506 118.000 120.570 -0.107 0.000 3.837 666 I HA 0.342 4.512 4.170 -0.001 0.000 0.332 666 I C -0.271 175.820 176.117 -0.044 0.000 1.484 666 I CA -0.355 60.932 61.300 -0.022 0.000 1.223 666 I CB 0.261 38.141 38.000 -0.200 0.000 1.257 666 I HN -0.071 nan 8.210 nan 0.000 0.421 667 S N 1.485 117.136 115.700 -0.082 0.000 2.580 667 S HA 0.200 4.670 4.470 -0.001 0.000 0.274 667 S C 0.636 175.191 174.600 -0.075 0.000 1.329 667 S CA -0.289 57.818 58.200 -0.154 0.000 1.036 667 S CB 0.900 63.998 63.200 -0.170 0.000 0.919 667 S HN 0.503 nan 8.310 nan 0.000 0.515 668 T N 3.173 117.691 114.554 -0.060 0.000 2.946 668 T HA 0.226 4.576 4.350 -0.001 0.000 0.312 668 T C 0.528 175.240 174.700 0.021 0.000 1.066 668 T CA -0.072 62.036 62.100 0.013 0.000 1.138 668 T CB 0.170 69.118 68.868 0.133 0.000 1.014 668 T HN 0.737 nan 8.240 nan 0.000 0.544 669 A N 1.782 124.599 122.820 -0.006 0.000 2.371 669 A HA 0.594 4.914 4.320 -0.001 0.000 0.257 669 A C 1.586 179.183 177.584 0.022 0.000 1.089 669 A CA 0.104 52.139 52.037 -0.003 0.000 0.794 669 A CB -0.393 18.587 19.000 -0.033 0.000 1.029 669 A HN 1.586 nan 8.150 nan 0.000 0.488 670 G N 0.533 109.347 108.800 0.024 0.000 2.241 670 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.244 670 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.244 670 G C 1.146 176.074 174.900 0.048 0.000 0.998 670 G CA 1.321 46.439 45.100 0.031 0.000 0.621 670 G HN 1.929 nan 8.290 nan 0.000 0.519 671 T N -1.512 113.089 114.554 0.079 0.000 2.978 671 T HA 0.289 4.639 4.350 -0.001 0.000 0.262 671 T C 0.770 175.539 174.700 0.115 0.000 1.063 671 T CA 1.233 63.394 62.100 0.102 0.000 1.140 671 T CB 0.216 69.233 68.868 0.248 0.000 0.886 671 T HN 0.353 nan 8.240 nan 0.000 0.470 672 E N 1.073 121.331 120.200 0.097 0.000 2.259 672 E HA 0.531 4.881 4.350 -0.001 0.000 0.281 672 E C 0.540 177.152 176.600 0.020 0.000 1.027 672 E CA -0.028 56.412 56.400 0.067 0.000 0.838 672 E CB 1.632 31.349 29.700 0.028 0.000 1.066 672 E HN 0.420 nan 8.360 nan 0.000 0.401 673 A N 2.119 124.922 122.820 -0.028 0.000 2.178 673 A HA 0.095 4.414 4.320 -0.001 0.000 0.211 673 A C 1.163 178.709 177.584 -0.063 0.000 1.157 673 A CA 0.795 52.752 52.037 -0.133 0.000 0.780 673 A CB 0.377 19.110 19.000 -0.444 0.000 0.828 673 A HN 0.497 nan 8.150 nan 0.000 0.476 674 S N -3.056 112.633 115.700 -0.017 0.000 4.063 674 S HA 0.500 4.970 4.470 -0.001 0.000 0.275 674 S C -0.707 173.884 174.600 -0.015 0.000 1.029 674 S CA 0.749 58.951 58.200 0.002 0.000 1.325 674 S CB 0.251 63.464 63.200 0.022 0.000 1.800 674 S HN 1.786 nan 8.310 nan 0.000 0.406 675 G N 0.911 109.698 108.800 -0.021 0.000 2.194 675 G HA2 0.282 4.241 3.960 -0.001 0.000 0.178 675 G HA3 0.282 4.241 3.960 -0.001 0.000 0.178 675 G C -0.045 174.813 174.900 -0.069 0.000 2.173 675 G CA 0.463 45.535 45.100 -0.047 0.000 1.042 675 G HN 0.562 nan 8.290 nan 0.000 0.588 676 T N 1.139 115.664 114.554 -0.049 0.000 2.852 676 T HA 0.071 4.421 4.350 -0.001 0.000 0.256 676 T C 2.587 177.210 174.700 -0.128 0.000 1.038 676 T CA 2.224 64.282 62.100 -0.071 0.000 1.141 676 T CB -0.232 68.621 68.868 -0.025 0.000 0.869 676 T HN 0.953 nan 8.240 nan 0.000 0.439 677 G N 1.455 110.195 108.800 -0.100 0.000 2.501 677 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.220 677 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.220 677 G C 1.530 176.453 174.900 0.040 0.000 1.114 677 G CA 0.735 45.785 45.100 -0.083 0.000 0.757 677 G HN 0.408 nan 8.290 nan 0.000 0.559 678 N N 0.446 119.127 118.700 -0.032 0.000 2.173 678 N HA 0.026 4.766 4.740 -0.001 0.000 0.184 678 N C 2.324 177.793 175.510 -0.069 0.000 1.025 678 N CA 0.833 53.852 53.050 -0.052 0.000 0.852 678 N CB -0.384 38.036 38.487 -0.111 0.000 0.998 678 N HN 0.259 nan 8.380 nan 0.000 0.427 679 M N 0.813 120.313 119.600 -0.166 0.000 2.108 679 M HA -0.160 4.320 4.480 -0.001 0.000 0.261 679 M C 1.785 178.051 176.300 -0.057 0.000 1.066 679 M CA 1.527 56.708 55.300 -0.198 0.000 1.107 679 M CB -0.384 32.089 32.600 -0.211 0.000 1.356 679 M HN 0.087 nan 8.290 nan 0.000 0.406 680 K N 0.111 120.448 120.400 -0.105 0.000 2.032 680 K HA -0.128 4.191 4.320 -0.001 0.000 0.209 680 K C 1.598 178.165 176.600 -0.056 0.000 1.048 680 K CA 1.474 57.660 56.287 -0.168 0.000 0.927 680 K CB -0.260 31.955 32.500 -0.474 0.000 0.712 680 K HN 0.171 nan 8.250 nan 0.000 0.441 681 F N 0.662 120.528 119.950 -0.141 0.000 2.502 681 F HA -0.026 4.501 4.527 -0.000 0.000 0.298 681 F C 2.214 177.952 175.800 -0.104 0.000 1.111 681 F CA 0.696 58.631 58.000 -0.108 0.000 1.445 681 F CB -0.281 38.643 39.000 -0.127 0.000 1.081 681 F HN 0.048 nan 8.300 nan 0.000 0.558 682 M N -0.279 119.367 119.600 0.078 0.000 2.085 682 M HA -0.144 4.336 4.480 -0.001 0.000 0.258 682 M C 2.190 178.513 176.300 0.039 0.000 1.089 682 M CA 1.528 56.829 55.300 0.002 0.000 1.123 682 M CB -0.576 32.034 32.600 0.017 0.000 1.284 682 M HN 0.112 nan 8.290 nan 0.000 0.421 683 L N 0.942 122.212 121.223 0.078 0.000 2.574 683 L HA -0.249 4.091 4.340 -0.001 0.000 0.230 683 L C 0.366 177.278 176.870 0.069 0.000 1.160 683 L CA 0.840 55.733 54.840 0.088 0.000 0.807 683 L CB -0.441 41.691 42.059 0.122 0.000 0.931 683 L HN 0.460 nan 8.230 nan 0.000 0.450 684 N N -0.239 118.492 118.700 0.051 0.000 2.365 684 N HA 0.128 4.868 4.740 -0.001 0.000 0.257 684 N C 0.389 175.928 175.510 0.048 0.000 1.287 684 N CA 0.668 53.745 53.050 0.045 0.000 0.882 684 N CB 0.901 39.398 38.487 0.017 0.000 1.250 684 N HN 0.183 nan 8.380 nan 0.000 0.507 685 G N 1.494 110.314 108.800 0.034 0.000 2.247 685 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.260 685 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.260 685 G C -0.131 174.810 174.900 0.068 0.000 0.852 685 G CA 0.552 45.665 45.100 0.022 0.000 1.281 685 G HN 0.489 nan 8.290 nan 0.000 0.378 686 A N 2.321 125.167 122.820 0.043 0.000 2.365 686 A HA 0.828 5.148 4.320 -0.001 0.000 0.318 686 A C 0.212 177.727 177.584 -0.115 0.000 1.091 686 A CA -0.799 51.279 52.037 0.068 0.000 0.763 686 A CB 1.202 20.353 19.000 0.251 0.000 1.248 686 A HN 0.871 nan 8.150 nan 0.000 0.442 687 L N 1.892 122.983 121.223 -0.220 0.000 2.305 687 L HA 0.293 4.633 4.340 -0.001 0.000 0.281 687 L C 0.215 176.898 176.870 -0.312 0.000 1.085 687 L CA -0.362 54.273 54.840 -0.342 0.000 0.813 687 L CB 1.205 42.967 42.059 -0.496 0.000 1.157 687 L HN 0.761 nan 8.230 nan 0.000 0.436 688 T N 3.915 118.250 114.554 -0.365 0.000 2.987 688 T HA 0.249 4.599 4.350 -0.001 0.000 0.288 688 T C 0.264 174.952 174.700 -0.019 0.000 0.981 688 T CA -0.222 61.726 62.100 -0.253 0.000 1.031 688 T CB -0.134 68.603 68.868 -0.217 0.000 0.976 688 T HN 0.371 nan 8.240 nan 0.000 0.612 689 I N 2.366 122.869 120.570 -0.111 0.000 2.836 689 I HA 0.499 4.669 4.170 -0.001 0.000 0.285 689 I C 0.695 176.796 176.117 -0.027 0.000 1.174 689 I CA 0.925 62.191 61.300 -0.056 0.000 1.405 689 I CB 0.168 38.018 38.000 -0.251 0.000 1.385 689 I HN 0.797 nan 8.210 nan 0.000 0.594 690 G N 3.611 112.419 108.800 0.013 0.000 2.345 690 G HA2 0.140 4.100 3.960 -0.001 0.000 0.310 690 G HA3 0.140 4.100 3.960 -0.001 0.000 0.310 690 G C -0.664 174.467 174.900 0.386 0.000 1.476 690 G CA -0.374 44.817 45.100 0.152 0.000 0.978 690 G HN 0.824 nan 8.290 nan 0.000 0.656 691 T N -1.342 113.450 114.554 0.397 0.000 2.795 691 T HA 0.392 4.742 4.350 -0.001 0.000 0.314 691 T C 1.076 175.810 174.700 0.056 0.000 1.069 691 T CA 0.161 62.372 62.100 0.185 0.000 1.071 691 T CB 0.948 69.850 68.868 0.057 0.000 0.988 691 T HN 0.736 nan 8.240 nan 0.000 0.543 692 M N 2.232 121.827 119.600 -0.009 0.000 3.607 692 M HA 0.312 4.791 4.480 -0.001 0.000 0.206 692 M C -0.631 175.644 176.300 -0.041 0.000 1.314 692 M CA -0.311 54.961 55.300 -0.046 0.000 1.526 692 M CB -1.407 31.161 32.600 -0.055 0.000 1.101 692 M HN 0.669 nan 8.290 nan 0.000 0.539 693 D N -0.870 119.514 120.400 -0.027 0.000 2.450 693 D HA 0.733 5.373 4.640 -0.001 0.000 0.238 693 D C 0.979 177.271 176.300 -0.014 0.000 1.020 693 D CA 0.751 54.742 54.000 -0.014 0.000 1.010 693 D CB 1.365 42.164 40.800 -0.003 0.000 1.342 693 D HN 0.372 nan 8.370 nan 0.000 0.530 694 G N 0.924 109.726 108.800 0.004 0.000 2.690 694 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.334 694 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.334 694 G C 1.234 176.134 174.900 0.001 0.000 1.250 694 G CA 2.116 47.222 45.100 0.011 0.000 0.994 694 G HN 1.012 nan 8.290 nan 0.000 0.549 695 A N -0.411 122.396 122.820 -0.021 0.000 1.858 695 A HA -0.075 4.245 4.320 -0.001 0.000 0.216 695 A C 2.223 179.773 177.584 -0.057 0.000 1.190 695 A CA 2.572 54.576 52.037 -0.055 0.000 0.617 695 A CB -0.766 18.171 19.000 -0.105 0.000 0.827 695 A HN 0.751 nan 8.150 nan 0.000 0.443 696 N N 0.249 118.920 118.700 -0.047 0.000 2.133 696 N HA -0.177 4.562 4.740 -0.001 0.000 0.193 696 N C 1.582 176.978 175.510 -0.191 0.000 1.012 696 N CA 1.560 54.561 53.050 -0.081 0.000 0.871 696 N CB -0.785 37.663 38.487 -0.066 0.000 1.011 696 N HN 0.288 nan 8.380 nan 0.000 0.435 697 V N 1.111 120.961 119.914 -0.107 0.000 2.214 697 V HA -0.248 3.871 4.120 -0.001 0.000 0.244 697 V C 1.991 178.067 176.094 -0.031 0.000 1.045 697 V CA 1.868 64.114 62.300 -0.089 0.000 0.993 697 V CB -0.609 31.194 31.823 -0.033 0.000 0.633 697 V HN 0.333 nan 8.190 nan 0.000 0.449 698 E N -0.833 119.411 120.200 0.074 0.000 2.267 698 E HA -0.230 4.119 4.350 -0.001 0.000 0.197 698 E C 2.085 178.929 176.600 0.407 0.000 0.998 698 E CA 1.286 57.816 56.400 0.217 0.000 0.830 698 E CB -0.186 29.711 29.700 0.328 0.000 0.751 698 E HN 0.558 nan 8.360 nan 0.000 0.491 699 M N -0.310 119.479 119.600 0.316 0.000 2.123 699 M HA -0.067 4.412 4.480 -0.001 0.000 0.263 699 M C 2.423 178.998 176.300 0.457 0.000 1.069 699 M CA 1.340 56.957 55.300 0.528 0.000 1.133 699 M CB -0.062 32.786 32.600 0.413 0.000 1.356 699 M HN 0.121 nan 8.290 nan 0.000 0.415 700 A N 0.144 122.864 122.820 -0.168 0.000 1.940 700 A HA -0.244 4.076 4.320 -0.001 0.000 0.219 700 A C 1.965 179.534 177.584 -0.025 0.000 1.176 700 A CA 2.127 53.952 52.037 -0.353 0.000 0.631 700 A CB -0.864 17.777 19.000 -0.597 0.000 0.814 700 A HN 0.598 nan 8.150 nan 0.000 0.446 701 E N -0.255 119.950 120.200 0.009 0.000 2.023 701 E HA -0.240 4.110 4.350 -0.001 0.000 0.196 701 E C 1.851 178.491 176.600 0.066 0.000 1.003 701 E CA 1.531 57.950 56.400 0.032 0.000 0.809 701 E CB -0.123 29.600 29.700 0.038 0.000 0.755 701 E HN 0.574 nan 8.360 nan 0.000 0.449 702 E N 0.276 120.545 120.200 0.114 0.000 2.047 702 E HA -0.135 4.215 4.350 -0.001 0.000 0.191 702 E C 1.936 178.604 176.600 0.113 0.000 0.987 702 E CA 1.156 57.606 56.400 0.085 0.000 0.799 702 E CB -0.415 29.315 29.700 0.050 0.000 0.752 702 E HN 0.393 nan 8.360 nan 0.000 0.449 703 A N 0.768 123.716 122.820 0.213 0.000 2.167 703 A HA 0.282 4.601 4.320 -0.001 0.000 0.214 703 A C 1.117 178.792 177.584 0.152 0.000 1.151 703 A CA 0.979 53.133 52.037 0.195 0.000 0.735 703 A CB -0.429 18.741 19.000 0.285 0.000 0.802 703 A HN 0.262 nan 8.150 nan 0.000 0.467 704 G N -0.318 108.562 108.800 0.132 0.000 3.285 704 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.685 704 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.685 704 G C 0.268 175.227 174.900 0.097 0.000 0.938 704 G CA 0.120 45.265 45.100 0.076 0.000 0.778 704 G HN 0.193 nan 8.290 nan 0.000 0.515 705 E N 1.656 121.878 120.200 0.036 0.000 2.108 705 E HA -0.257 4.093 4.350 -0.001 0.000 0.203 705 E C 2.391 179.002 176.600 0.018 0.000 1.022 705 E CA 2.375 58.777 56.400 0.003 0.000 0.823 705 E CB 0.028 29.708 29.700 -0.033 0.000 0.744 705 E HN 0.827 nan 8.360 nan 0.000 0.456 706 E N 0.697 120.892 120.200 -0.009 0.000 2.171 706 E HA -0.155 4.194 4.350 -0.001 0.000 0.197 706 E C 1.499 178.062 176.600 -0.061 0.000 0.997 706 E CA 1.023 57.394 56.400 -0.049 0.000 0.810 706 E CB -0.474 29.199 29.700 -0.045 0.000 0.738 706 E HN 0.265 nan 8.360 nan 0.000 0.467 707 N N -0.448 118.256 118.700 0.007 0.000 2.521 707 N HA 0.003 4.743 4.740 -0.001 0.000 0.188 707 N C -0.743 174.789 175.510 0.037 0.000 1.146 707 N CA 0.390 53.439 53.050 -0.001 0.000 0.893 707 N CB 0.151 38.642 38.487 0.008 0.000 0.975 707 N HN 0.083 nan 8.380 nan 0.000 0.451 708 F N -0.291 119.601 119.950 -0.096 0.000 2.536 708 F HA 0.287 4.814 4.527 -0.001 0.000 0.322 708 F C -0.256 175.520 175.800 -0.039 0.000 1.144 708 F CA -1.090 56.894 58.000 -0.028 0.000 0.924 708 F CB 0.890 39.881 39.000 -0.015 0.000 1.181 708 F HN -0.210 nan 8.300 nan 0.000 0.438 709 F N 5.426 125.472 119.950 0.159 0.000 2.818 709 F HA 0.137 4.663 4.527 -0.001 0.000 0.303 709 F C 0.750 176.609 175.800 0.098 0.000 1.250 709 F CA -0.253 57.784 58.000 0.062 0.000 1.409 709 F CB -1.077 37.886 39.000 -0.061 0.000 1.183 709 F HN 0.121 nan 8.300 nan 0.000 0.534 710 I N 1.343 122.042 120.570 0.215 0.000 3.110 710 I HA -0.180 3.990 4.170 -0.001 0.000 0.305 710 I C 0.386 176.691 176.117 0.313 0.000 1.232 710 I CA 0.814 62.220 61.300 0.177 0.000 1.431 710 I CB -0.670 37.342 38.000 0.019 0.000 1.320 710 I HN 0.259 nan 8.210 nan 0.000 0.583 711 F N 2.481 122.452 119.950 0.035 0.000 3.360 711 F HA 0.710 5.236 4.527 -0.000 0.000 0.327 711 F C 0.467 176.287 175.800 0.033 0.000 1.186 711 F CA -0.573 57.456 58.000 0.048 0.000 0.903 711 F CB 0.058 39.117 39.000 0.099 0.000 1.533 711 F HN 0.762 nan 8.300 nan 0.000 0.515 712 G N 1.368 109.828 108.800 -0.567 0.000 2.531 712 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.477 712 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.477 712 G C -0.202 174.504 174.900 -0.322 0.000 1.342 712 G CA 0.187 44.905 45.100 -0.637 0.000 0.911 712 G HN 0.950 nan 8.290 nan 0.000 0.532 713 M N 0.382 119.827 119.600 -0.258 0.000 2.338 713 M HA 0.147 4.627 4.480 -0.001 0.000 0.360 713 M C 1.218 177.449 176.300 -0.115 0.000 1.547 713 M CA 0.185 55.408 55.300 -0.127 0.000 1.001 713 M CB 0.368 32.920 32.600 -0.080 0.000 2.008 713 M HN 0.544 nan 8.290 nan 0.000 0.464 714 R N 1.973 122.431 120.500 -0.070 0.000 2.954 714 R HA 0.132 4.472 4.340 -0.001 0.000 0.276 714 R C 1.137 177.416 176.300 -0.035 0.000 1.218 714 R CA -0.082 55.988 56.100 -0.051 0.000 1.149 714 R CB 0.088 30.367 30.300 -0.035 0.000 1.112 714 R HN 0.603 nan 8.270 nan 0.000 0.577 715 V N 0.657 120.557 119.914 -0.023 0.000 2.244 715 V HA -0.211 3.909 4.120 -0.001 0.000 0.244 715 V C 2.242 178.331 176.094 -0.008 0.000 1.042 715 V CA 1.911 64.203 62.300 -0.013 0.000 1.006 715 V CB -0.723 31.094 31.823 -0.010 0.000 0.641 715 V HN 0.668 nan 8.190 nan 0.000 0.446 716 E N 1.194 121.389 120.200 -0.008 0.000 2.110 716 E HA -0.346 4.004 4.350 -0.001 0.000 0.225 716 E C 1.902 178.505 176.600 0.004 0.000 1.063 716 E CA 2.637 59.035 56.400 -0.003 0.000 0.906 716 E CB -0.569 29.128 29.700 -0.005 0.000 0.795 716 E HN 0.715 nan 8.360 nan 0.000 0.479 717 D N -0.156 120.247 120.400 0.005 0.000 2.190 717 D HA -0.142 4.498 4.640 -0.001 0.000 0.200 717 D C 2.139 178.457 176.300 0.031 0.000 0.992 717 D CA 1.308 55.320 54.000 0.019 0.000 0.854 717 D CB -0.437 40.372 40.800 0.016 0.000 0.936 717 D HN 0.171 nan 8.370 nan 0.000 0.462 718 V N 1.478 121.402 119.914 0.017 0.000 2.283 718 V HA -0.191 3.928 4.120 -0.001 0.000 0.243 718 V C 2.032 178.140 176.094 0.023 0.000 1.039 718 V CA 1.695 64.007 62.300 0.021 0.000 1.016 718 V CB -0.496 31.328 31.823 0.002 0.000 0.650 718 V HN 0.098 nan 8.190 nan 0.000 0.449 719 D N 0.413 120.820 120.400 0.011 0.000 2.127 719 D HA -0.208 4.431 4.640 -0.001 0.000 0.190 719 D C 2.370 178.682 176.300 0.020 0.000 1.000 719 D CA 1.550 55.556 54.000 0.009 0.000 0.839 719 D CB -0.282 40.519 40.800 0.002 0.000 0.955 719 D HN 0.280 nan 8.370 nan 0.000 0.446 720 R N 0.552 121.066 120.500 0.024 0.000 2.113 720 R HA -0.175 4.165 4.340 -0.001 0.000 0.244 720 R C 2.407 178.737 176.300 0.051 0.000 1.142 720 R CA 0.586 56.705 56.100 0.032 0.000 0.953 720 R CB -1.343 28.976 30.300 0.031 0.000 0.860 720 R HN 0.262 nan 8.270 nan 0.000 0.438 721 L N 1.748 123.016 121.223 0.077 0.000 2.191 721 L HA -0.101 4.239 4.340 -0.001 0.000 0.212 721 L C 1.434 178.373 176.870 0.115 0.000 1.103 721 L CA 1.801 56.715 54.840 0.123 0.000 0.769 721 L CB -0.449 41.729 42.059 0.199 0.000 0.908 721 L HN 0.051 nan 8.230 nan 0.000 0.438 722 D N -1.143 119.301 120.400 0.072 0.000 2.162 722 D HA -0.185 4.455 4.640 -0.001 0.000 0.203 722 D C 1.921 178.244 176.300 0.038 0.000 0.967 722 D CA 0.949 54.980 54.000 0.052 0.000 0.840 722 D CB 0.183 40.992 40.800 0.014 0.000 0.972 722 D HN 0.546 nan 8.370 nan 0.000 0.482 723 Q N 0.925 120.743 119.800 0.030 0.000 2.084 723 Q HA -0.196 4.144 4.340 -0.001 0.000 0.202 723 Q C 1.944 177.958 176.000 0.024 0.000 0.978 723 Q CA 1.537 57.352 55.803 0.020 0.000 0.844 723 Q CB 0.136 28.884 28.738 0.016 0.000 0.898 723 Q HN 0.090 nan 8.270 nan 0.000 0.426 724 R N -0.687 119.832 120.500 0.033 0.000 2.297 724 R HA 0.239 4.579 4.340 -0.001 0.000 0.197 724 R C 0.075 176.396 176.300 0.036 0.000 0.943 724 R CA 0.875 56.991 56.100 0.028 0.000 1.038 724 R CB 0.035 30.349 30.300 0.024 0.000 0.957 724 R HN 0.172 nan 8.270 nan 0.000 0.484 725 G N 0.401 109.236 108.800 0.059 0.000 3.172 725 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.686 725 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.686 725 G C -1.248 173.721 174.900 0.114 0.000 1.009 725 G CA -0.241 44.906 45.100 0.079 0.000 0.787 725 G HN 0.386 nan 8.290 nan 0.000 0.559 726 Y N 2.982 123.306 120.300 0.040 0.000 2.584 726 Y HA 0.437 4.987 4.550 -0.000 0.000 0.351 726 Y C 0.748 176.700 175.900 0.087 0.000 1.030 726 Y CA -0.057 58.090 58.100 0.077 0.000 1.332 726 Y CB 0.536 39.033 38.460 0.061 0.000 1.148 726 Y HN 0.583 nan 8.280 nan 0.000 0.528 727 N N 5.185 123.721 118.700 -0.273 0.000 2.699 727 N HA 0.349 5.089 4.740 -0.001 0.000 0.232 727 N C 0.869 176.217 175.510 -0.271 0.000 1.027 727 N CA 0.318 53.255 53.050 -0.188 0.000 0.920 727 N CB 0.632 39.062 38.487 -0.095 0.000 1.148 727 N HN 0.890 nan 8.380 nan 0.000 0.509 728 A N 2.469 125.094 122.820 -0.325 0.000 1.909 728 A HA -0.327 3.993 4.320 -0.001 0.000 0.221 728 A C 2.029 179.731 177.584 0.198 0.000 1.223 728 A CA 1.814 53.788 52.037 -0.106 0.000 0.658 728 A CB -0.739 18.300 19.000 0.065 0.000 0.831 728 A HN 0.742 nan 8.150 nan 0.000 0.462 729 Q N 0.121 120.019 119.800 0.164 0.000 2.217 729 Q HA -0.253 4.086 4.340 -0.001 0.000 0.209 729 Q C 1.898 178.029 176.000 0.219 0.000 0.988 729 Q CA 2.416 58.358 55.803 0.232 0.000 0.878 729 Q CB -0.430 28.410 28.738 0.169 0.000 0.909 729 Q HN 0.904 nan 8.270 nan 0.000 0.424 730 E N -1.583 118.652 120.200 0.059 0.000 2.070 730 E HA -0.280 4.069 4.350 -0.001 0.000 0.197 730 E C 1.569 178.155 176.600 -0.024 0.000 1.004 730 E CA 1.608 57.976 56.400 -0.054 0.000 0.805 730 E CB -0.738 28.810 29.700 -0.253 0.000 0.744 730 E HN 0.512 nan 8.360 nan 0.000 0.451 731 Y N -0.118 120.224 120.300 0.070 0.000 2.145 731 Y HA -0.206 4.344 4.550 -0.000 0.000 0.286 731 Y C 2.453 178.357 175.900 0.007 0.000 1.145 731 Y CA 1.525 59.655 58.100 0.051 0.000 1.148 731 Y CB -0.907 37.619 38.460 0.111 0.000 0.981 731 Y HN 0.200 nan 8.280 nan 0.000 0.507 732 Y N 0.909 121.277 120.300 0.114 0.000 2.256 732 Y HA -0.253 4.297 4.550 -0.001 0.000 0.288 732 Y C 1.765 177.650 175.900 -0.025 0.000 1.155 732 Y CA 1.813 59.885 58.100 -0.046 0.000 1.203 732 Y CB -0.347 38.163 38.460 0.083 0.000 0.980 732 Y HN 0.116 nan 8.280 nan 0.000 0.530 733 D N -0.716 119.681 120.400 -0.004 0.000 2.333 733 D HA -0.004 4.636 4.640 -0.001 0.000 0.208 733 D C 1.908 178.147 176.300 -0.102 0.000 0.984 733 D CA 0.337 54.264 54.000 -0.122 0.000 0.873 733 D CB 0.193 40.996 40.800 0.005 0.000 0.935 733 D HN 0.481 nan 8.370 nan 0.000 0.521 734 R N 0.469 120.936 120.500 -0.055 0.000 2.060 734 R HA 0.110 4.450 4.340 -0.001 0.000 0.225 734 R C 1.124 177.388 176.300 -0.061 0.000 1.155 734 R CA 0.501 56.578 56.100 -0.038 0.000 0.930 734 R CB -0.156 30.150 30.300 0.010 0.000 0.829 734 R HN 0.054 nan 8.270 nan 0.000 0.433 735 I N 3.669 124.205 120.570 -0.055 0.000 2.574 735 I HA -0.013 4.157 4.170 -0.001 0.000 0.291 735 I C -1.690 174.353 176.117 -0.124 0.000 1.131 735 I CA -1.354 59.913 61.300 -0.056 0.000 1.352 735 I CB 0.864 38.854 38.000 -0.016 0.000 1.431 735 I HN 0.032 nan 8.210 nan 0.000 0.543 736 P HA -0.133 nan 4.420 nan 0.000 0.217 736 P C 1.011 178.264 177.300 -0.079 0.000 1.150 736 P CA 1.154 64.195 63.100 -0.098 0.000 0.832 736 P CB 0.335 32.001 31.700 -0.058 0.000 0.787 737 E N -0.268 119.920 120.200 -0.020 0.000 2.000 737 E HA -0.182 4.168 4.350 -0.001 0.000 0.199 737 E C 1.899 178.479 176.600 -0.035 0.000 1.011 737 E CA 0.940 57.355 56.400 0.024 0.000 0.836 737 E CB -1.349 28.437 29.700 0.143 0.000 0.778 737 E HN -0.010 nan 8.360 nan 0.000 0.462 738 L N 1.340 122.481 121.223 -0.137 0.000 2.054 738 L HA -0.302 4.038 4.340 -0.001 0.000 0.220 738 L C 2.270 179.025 176.870 -0.192 0.000 1.081 738 L CA 1.899 56.529 54.840 -0.350 0.000 0.780 738 L CB -0.454 41.189 42.059 -0.693 0.000 0.893 738 L HN 0.086 nan 8.230 nan 0.000 0.438 739 R N -1.030 119.320 120.500 -0.250 0.000 2.080 739 R HA -0.236 4.104 4.340 -0.001 0.000 0.236 739 R C 2.325 178.614 176.300 -0.019 0.000 1.137 739 R CA 2.072 57.977 56.100 -0.326 0.000 0.943 739 R CB -0.420 29.569 30.300 -0.520 0.000 0.846 739 R HN 0.687 nan 8.270 nan 0.000 0.431 740 Q N 1.245 121.017 119.800 -0.047 0.000 2.124 740 Q HA -0.171 4.168 4.340 -0.001 0.000 0.202 740 Q C 2.067 178.091 176.000 0.040 0.000 0.977 740 Q CA 1.975 57.776 55.803 -0.004 0.000 0.850 740 Q CB -0.306 28.411 28.738 -0.035 0.000 0.901 740 Q HN 0.631 nan 8.270 nan 0.000 0.429 741 I N -2.030 118.573 120.570 0.056 0.000 2.353 741 I HA -0.173 3.996 4.170 -0.001 0.000 0.248 741 I C 1.895 178.106 176.117 0.157 0.000 1.119 741 I CA 0.569 61.941 61.300 0.121 0.000 1.417 741 I CB -0.531 37.553 38.000 0.140 0.000 1.078 741 I HN 0.040 nan 8.210 nan 0.000 0.421 742 I N 2.075 122.731 120.570 0.143 0.000 2.194 742 I HA -0.230 3.940 4.170 -0.001 0.000 0.246 742 I C 2.717 178.936 176.117 0.170 0.000 1.093 742 I CA 1.494 62.901 61.300 0.177 0.000 1.355 742 I CB -1.385 36.749 38.000 0.224 0.000 1.046 742 I HN 0.335 nan 8.210 nan 0.000 0.413 743 E N 0.280 120.581 120.200 0.169 0.000 2.150 743 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 743 E C 2.184 178.858 176.600 0.123 0.000 0.985 743 E CA 0.828 57.310 56.400 0.138 0.000 0.814 743 E CB -0.141 29.628 29.700 0.115 0.000 0.752 743 E HN 0.622 nan 8.360 nan 0.000 0.466 744 Q N -0.070 119.806 119.800 0.126 0.000 2.137 744 Q HA 0.017 4.357 4.340 -0.001 0.000 0.198 744 Q C 2.428 178.606 176.000 0.297 0.000 0.960 744 Q CA 0.578 56.472 55.803 0.152 0.000 0.847 744 Q CB 0.075 28.855 28.738 0.069 0.000 0.915 744 Q HN 0.235 nan 8.270 nan 0.000 0.448 745 L N 0.096 121.506 121.223 0.311 0.000 1.948 745 L HA -0.160 4.180 4.340 -0.001 0.000 0.212 745 L C 2.244 179.275 176.870 0.268 0.000 1.074 745 L CA 1.195 56.234 54.840 0.331 0.000 0.753 745 L CB -0.793 41.384 42.059 0.197 0.000 0.888 745 L HN 0.108 nan 8.230 nan 0.000 0.432 746 S N -0.076 115.738 115.700 0.190 0.000 2.537 746 S HA -0.100 4.369 4.470 -0.001 0.000 0.240 746 S C 1.979 176.666 174.600 0.144 0.000 0.981 746 S CA 1.125 59.419 58.200 0.155 0.000 0.948 746 S CB -0.220 63.045 63.200 0.109 0.000 0.759 746 S HN 0.565 nan 8.310 nan 0.000 0.531 747 S N 0.186 115.981 115.700 0.158 0.000 2.458 747 S HA 0.341 4.810 4.470 -0.001 0.000 0.223 747 S C 1.521 176.209 174.600 0.147 0.000 1.019 747 S CA 0.517 58.798 58.200 0.136 0.000 0.937 747 S CB -0.122 63.153 63.200 0.125 0.000 0.788 747 S HN 0.695 nan 8.310 nan 0.000 0.511 748 G N 0.867 109.785 108.800 0.196 0.000 2.135 748 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.183 748 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.183 748 G C 0.156 175.168 174.900 0.188 0.000 1.004 748 G CA 0.093 45.299 45.100 0.176 0.000 0.677 748 G HN 0.398 nan 8.290 nan 0.000 0.512 749 F N 1.143 121.143 119.950 0.082 0.000 2.010 749 F HA 0.122 4.649 4.527 -0.001 0.000 0.296 749 F C 2.033 177.871 175.800 0.063 0.000 1.146 749 F CA 1.908 59.899 58.000 -0.016 0.000 1.181 749 F CB -0.518 38.373 39.000 -0.182 0.000 0.965 749 F HN 0.097 nan 8.300 nan 0.000 0.480 750 F N 0.580 120.404 119.950 -0.209 0.000 2.771 750 F HA 0.052 4.579 4.527 -0.001 0.000 0.299 750 F C 1.434 177.181 175.800 -0.089 0.000 1.177 750 F CA 0.838 58.672 58.000 -0.276 0.000 1.450 750 F CB -0.847 38.106 39.000 -0.078 0.000 1.114 750 F HN 0.153 nan 8.300 nan 0.000 0.587 751 S N -1.826 113.944 115.700 0.116 0.000 2.825 751 S HA 0.218 4.688 4.470 -0.001 0.000 0.242 751 S C -1.579 173.010 174.600 -0.018 0.000 0.980 751 S CA -0.768 57.431 58.200 -0.001 0.000 1.107 751 S CB 0.109 63.253 63.200 -0.093 0.000 1.172 751 S HN -0.024 nan 8.310 nan 0.000 0.483 752 P HA -0.183 nan 4.420 nan 0.000 0.218 752 P C 0.943 178.244 177.300 0.002 0.000 1.146 752 P CA 1.309 64.414 63.100 0.008 0.000 0.820 752 P CB 0.149 31.852 31.700 0.004 0.000 0.778 753 K N -0.791 119.599 120.400 -0.016 0.000 2.228 753 K HA -0.005 4.315 4.320 -0.001 0.000 0.202 753 K C 0.768 177.362 176.600 -0.009 0.000 1.051 753 K CA 0.981 57.262 56.287 -0.011 0.000 0.960 753 K CB -0.073 32.417 32.500 -0.018 0.000 0.743 753 K HN 0.290 nan 8.250 nan 0.000 0.458 754 Q N -1.052 118.733 119.800 -0.025 0.000 2.533 754 Q HA 0.234 4.574 4.340 -0.001 0.000 0.251 754 Q C -2.340 173.647 176.000 -0.023 0.000 0.966 754 Q CA -1.531 54.259 55.803 -0.021 0.000 0.714 754 Q CB 1.999 30.718 28.738 -0.033 0.000 1.284 754 Q HN -0.148 nan 8.270 nan 0.000 0.478 755 P HA -0.214 nan 4.420 nan 0.000 0.215 755 P C 0.180 177.513 177.300 0.056 0.000 1.157 755 P CA 1.446 64.574 63.100 0.047 0.000 0.868 755 P CB 0.262 31.996 31.700 0.058 0.000 0.788 756 D N -1.047 119.376 120.400 0.039 0.000 2.354 756 D HA -0.159 4.480 4.640 -0.001 0.000 0.216 756 D C 1.724 178.038 176.300 0.022 0.000 0.970 756 D CA 0.415 54.441 54.000 0.043 0.000 0.905 756 D CB -1.201 39.621 40.800 0.037 0.000 0.903 756 D HN 0.072 nan 8.370 nan 0.000 0.508 757 L N -0.374 120.815 121.223 -0.057 0.000 1.971 757 L HA -0.135 4.205 4.340 -0.001 0.000 0.215 757 L C 1.359 178.120 176.870 -0.183 0.000 1.072 757 L CA 1.631 56.356 54.840 -0.191 0.000 0.758 757 L CB -0.511 41.284 42.059 -0.441 0.000 0.889 757 L HN -0.028 nan 8.230 nan 0.000 0.433 758 F N -0.282 119.689 119.950 0.034 0.000 2.695 758 F HA 0.077 4.603 4.527 -0.001 0.000 0.301 758 F C 1.849 177.670 175.800 0.035 0.000 1.182 758 F CA -0.121 57.890 58.000 0.020 0.000 1.412 758 F CB -0.725 38.277 39.000 0.003 0.000 1.056 758 F HN -0.007 nan 8.300 nan 0.000 0.522 759 K N 0.901 121.411 120.400 0.183 0.000 2.074 759 K HA -0.208 4.112 4.320 -0.001 0.000 0.209 759 K C 1.465 178.141 176.600 0.125 0.000 1.048 759 K CA 1.933 58.301 56.287 0.135 0.000 0.926 759 K CB -0.602 31.959 32.500 0.103 0.000 0.713 759 K HN 0.432 nan 8.250 nan 0.000 0.444 760 D N 0.103 120.595 120.400 0.152 0.000 2.183 760 D HA -0.092 4.547 4.640 -0.001 0.000 0.203 760 D C 1.901 178.260 176.300 0.099 0.000 0.969 760 D CA 0.608 54.696 54.000 0.147 0.000 0.842 760 D CB -0.332 40.596 40.800 0.213 0.000 0.957 760 D HN 0.158 nan 8.370 nan 0.000 0.484 761 I N 0.753 121.388 120.570 0.109 0.000 2.179 761 I HA -0.224 3.946 4.170 -0.001 0.000 0.242 761 I C 2.221 178.324 176.117 -0.023 0.000 1.088 761 I CA 0.612 61.934 61.300 0.036 0.000 1.357 761 I CB -0.572 37.441 38.000 0.021 0.000 1.051 761 I HN 0.008 nan 8.210 nan 0.000 0.409 762 V N 2.010 121.931 119.914 0.012 0.000 2.218 762 V HA -0.367 3.753 4.120 -0.001 0.000 0.251 762 V C 2.107 178.115 176.094 -0.144 0.000 1.057 762 V CA 2.795 65.076 62.300 -0.030 0.000 1.022 762 V CB -1.173 30.657 31.823 0.012 0.000 0.645 762 V HN 0.454 nan 8.190 nan 0.000 0.451 763 N N -0.583 118.039 118.700 -0.131 0.000 2.272 763 N HA -0.187 4.553 4.740 -0.001 0.000 0.185 763 N C 1.667 177.023 175.510 -0.256 0.000 1.014 763 N CA 1.271 54.216 53.050 -0.175 0.000 0.870 763 N CB -0.323 38.186 38.487 0.037 0.000 0.975 763 N HN 0.368 nan 8.380 nan 0.000 0.433 764 M N 0.345 119.786 119.600 -0.266 0.000 2.067 764 M HA -0.078 4.402 4.480 -0.001 0.000 0.260 764 M C 1.223 177.230 176.300 -0.489 0.000 1.069 764 M CA 1.607 56.634 55.300 -0.455 0.000 1.117 764 M CB -0.527 31.964 32.600 -0.182 0.000 1.334 764 M HN 0.083 nan 8.290 nan 0.000 0.407 765 L N -0.312 120.680 121.223 -0.386 0.000 2.068 765 L HA -0.096 4.244 4.340 -0.001 0.000 0.204 765 L C 2.525 178.974 176.870 -0.702 0.000 1.076 765 L CA 1.323 55.821 54.840 -0.570 0.000 0.753 765 L CB -1.591 40.061 42.059 -0.679 0.000 0.910 765 L HN 0.336 nan 8.230 nan 0.000 0.439 766 M N -1.123 118.183 119.600 -0.489 0.000 2.156 766 M HA -0.139 4.341 4.480 -0.001 0.000 0.264 766 M C 2.005 178.253 176.300 -0.086 0.000 1.067 766 M CA 1.536 56.634 55.300 -0.337 0.000 1.131 766 M CB -0.639 31.673 32.600 -0.480 0.000 1.368 766 M HN 0.309 nan 8.290 nan 0.000 0.416 767 H N -1.828 117.187 119.070 -0.092 0.000 2.855 767 H HA 0.161 4.717 4.556 -0.000 0.000 0.259 767 H C 0.063 175.460 175.328 0.116 0.000 0.972 767 H CA 0.672 56.744 56.048 0.040 0.000 1.213 767 H CB 0.064 29.902 29.762 0.126 0.000 1.451 767 H HN 0.589 nan 8.280 nan 0.000 0.484 768 H N -1.958 117.173 119.070 0.101 0.000 3.080 768 H HA 0.237 4.793 4.556 -0.001 0.000 0.211 768 H C -1.299 174.029 175.328 -0.000 0.000 1.359 768 H CA -0.677 55.409 56.048 0.064 0.000 1.322 768 H CB -0.175 29.620 29.762 0.056 0.000 2.164 768 H HN -0.125 nan 8.280 nan 0.000 0.526 769 D N 1.376 121.709 120.400 -0.111 0.000 2.317 769 D HA 0.064 4.703 4.640 -0.001 0.000 0.252 769 D C 1.124 177.266 176.300 -0.263 0.000 1.174 769 D CA -0.393 53.498 54.000 -0.181 0.000 0.866 769 D CB 1.174 41.841 40.800 -0.221 0.000 1.127 769 D HN 0.638 nan 8.370 nan 0.000 0.467 770 R N 2.876 123.199 120.500 -0.296 0.000 2.193 770 R HA -0.029 4.310 4.340 -0.001 0.000 0.213 770 R C 0.641 176.408 176.300 -0.889 0.000 1.055 770 R CA 0.915 56.644 56.100 -0.619 0.000 0.995 770 R CB 0.066 29.907 30.300 -0.765 0.000 0.893 770 R HN 0.394 nan 8.270 nan 0.000 0.459 771 F N 0.215 120.045 119.950 -0.199 0.000 2.682 771 F HA 0.333 4.860 4.527 -0.000 0.000 0.308 771 F C -0.161 175.477 175.800 -0.271 0.000 1.093 771 F CA -0.326 57.560 58.000 -0.189 0.000 1.244 771 F CB 0.594 39.543 39.000 -0.084 0.000 1.052 771 F HN -0.199 nan 8.300 nan 0.000 0.573 772 K N -0.303 119.879 120.400 -0.363 0.000 3.549 772 K HA -0.142 4.178 4.320 -0.001 0.000 0.275 772 K C 0.622 177.189 176.600 -0.056 0.000 1.060 772 K CA 0.129 56.192 56.287 -0.373 0.000 0.812 772 K CB -1.758 30.538 32.500 -0.340 0.000 1.374 772 K HN 0.187 nan 8.250 nan 0.000 0.455 773 V N 0.599 120.509 119.914 -0.007 0.000 2.231 773 V HA -0.195 3.924 4.120 -0.001 0.000 0.240 773 V C 1.843 178.077 176.094 0.234 0.000 1.039 773 V CA 1.862 64.220 62.300 0.096 0.000 0.998 773 V CB -0.290 31.585 31.823 0.088 0.000 0.639 773 V HN 0.559 nan 8.190 nan 0.000 0.451 774 F N 0.984 120.952 119.950 0.029 0.000 2.184 774 F HA -0.225 4.302 4.527 -0.001 0.000 0.301 774 F C 2.372 177.967 175.800 -0.343 0.000 1.076 774 F CA 1.088 59.043 58.000 -0.075 0.000 1.295 774 F CB -1.716 37.274 39.000 -0.017 0.000 1.026 774 F HN 0.216 nan 8.300 nan 0.000 0.494 775 A N 0.190 122.887 122.820 -0.204 0.000 1.841 775 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 775 A C 1.856 179.357 177.584 -0.138 0.000 1.199 775 A CA 1.957 53.692 52.037 -0.503 0.000 0.621 775 A CB -1.002 17.957 19.000 -0.069 0.000 0.835 775 A HN 0.199 nan 8.150 nan 0.000 0.445 776 D N -1.934 118.460 120.400 -0.010 0.000 2.371 776 D HA -0.002 4.637 4.640 -0.001 0.000 0.234 776 D C 1.117 177.552 176.300 0.225 0.000 1.049 776 D CA 0.277 54.288 54.000 0.017 0.000 0.907 776 D CB -0.293 40.432 40.800 -0.124 0.000 0.891 776 D HN 0.607 nan 8.370 nan 0.000 0.531 777 Y N 1.522 121.886 120.300 0.105 0.000 2.070 777 Y HA -0.253 4.297 4.550 -0.000 0.000 0.279 777 Y C 2.306 178.332 175.900 0.210 0.000 1.134 777 Y CA 1.807 60.023 58.100 0.194 0.000 1.113 777 Y CB 0.000 38.522 38.460 0.103 0.000 0.981 777 Y HN -0.170 nan 8.280 nan 0.000 0.487 778 E N 0.908 121.305 120.200 0.328 0.000 2.049 778 E HA -0.299 4.051 4.350 -0.001 0.000 0.198 778 E C 2.132 178.801 176.600 0.114 0.000 1.007 778 E CA 2.026 58.538 56.400 0.188 0.000 0.809 778 E CB -0.525 29.322 29.700 0.245 0.000 0.749 778 E HN 0.649 nan 8.360 nan 0.000 0.450 779 E N -1.429 118.869 120.200 0.162 0.000 2.110 779 E HA -0.219 4.130 4.350 -0.001 0.000 0.193 779 E C 2.023 178.803 176.600 0.301 0.000 0.988 779 E CA 1.177 57.692 56.400 0.191 0.000 0.804 779 E CB -0.480 29.316 29.700 0.160 0.000 0.745 779 E HN 0.395 nan 8.360 nan 0.000 0.458 780 Y N 0.735 121.174 120.300 0.231 0.000 2.133 780 Y HA -0.176 4.373 4.550 -0.001 0.000 0.287 780 Y C 2.214 178.045 175.900 -0.116 0.000 1.134 780 Y CA 1.720 59.927 58.100 0.178 0.000 1.133 780 Y CB -0.756 37.826 38.460 0.203 0.000 0.987 780 Y HN 0.095 nan 8.280 nan 0.000 0.502 781 V N -1.219 118.518 119.914 -0.294 0.000 2.867 781 V HA -0.138 3.982 4.120 -0.001 0.000 0.260 781 V C 1.712 177.693 176.094 -0.188 0.000 1.099 781 V CA 1.862 63.951 62.300 -0.351 0.000 1.122 781 V CB -0.571 31.025 31.823 -0.378 0.000 0.708 781 V HN 0.218 nan 8.190 nan 0.000 0.490 782 K N -0.306 120.043 120.400 -0.086 0.000 2.314 782 K HA 0.173 4.493 4.320 -0.001 0.000 0.198 782 K C 2.073 178.669 176.600 -0.007 0.000 1.045 782 K CA 1.223 57.495 56.287 -0.025 0.000 0.988 782 K CB -0.840 31.675 32.500 0.025 0.000 0.783 782 K HN 0.606 nan 8.250 nan 0.000 0.484 783 C N 1.498 120.789 119.300 -0.015 0.000 2.467 783 C HA 0.017 4.477 4.460 -0.001 0.000 0.279 783 C C 2.504 177.476 174.990 -0.029 0.000 1.347 783 C CA 0.580 59.629 59.018 0.052 0.000 1.748 783 C CB -0.239 27.529 27.740 0.046 0.000 1.977 783 C HN 0.377 nan 8.230 nan 0.000 0.501 784 Q N 0.724 120.344 119.800 -0.299 0.000 2.119 784 Q HA -0.124 4.216 4.340 -0.001 0.000 0.201 784 Q C 1.925 177.834 176.000 -0.151 0.000 0.972 784 Q CA 1.533 57.099 55.803 -0.394 0.000 0.847 784 Q CB -0.484 27.799 28.738 -0.758 0.000 0.903 784 Q HN 0.724 nan 8.270 nan 0.000 0.433 785 E N -0.082 120.070 120.200 -0.079 0.000 2.204 785 E HA -0.127 4.223 4.350 -0.001 0.000 0.195 785 E C 2.017 178.655 176.600 0.062 0.000 0.990 785 E CA 0.572 56.969 56.400 -0.006 0.000 0.821 785 E CB 0.156 29.856 29.700 0.000 0.000 0.750 785 E HN 0.192 nan 8.360 nan 0.000 0.477 786 R N -0.109 120.468 120.500 0.128 0.000 2.075 786 R HA -0.076 4.263 4.340 -0.001 0.000 0.232 786 R C 2.377 178.892 176.300 0.359 0.000 1.126 786 R CA 0.877 57.123 56.100 0.243 0.000 0.963 786 R CB -0.496 29.973 30.300 0.281 0.000 0.858 786 R HN 0.110 nan 8.270 nan 0.000 0.435 787 V N 0.888 120.952 119.914 0.250 0.000 2.233 787 V HA -0.283 3.837 4.120 -0.001 0.000 0.247 787 V C 2.222 178.364 176.094 0.079 0.000 1.050 787 V CA 2.110 64.371 62.300 -0.065 0.000 1.010 787 V CB -0.323 31.185 31.823 -0.526 0.000 0.637 787 V HN 0.330 nan 8.190 nan 0.000 0.444 788 S N 0.028 115.755 115.700 0.044 0.000 2.359 788 S HA -0.242 4.228 4.470 -0.001 0.000 0.224 788 S C 2.156 176.837 174.600 0.136 0.000 1.035 788 S CA 1.518 59.763 58.200 0.075 0.000 1.018 788 S CB -0.675 62.529 63.200 0.007 0.000 0.876 788 S HN 0.707 nan 8.310 nan 0.000 0.448 789 A N 1.299 124.198 122.820 0.131 0.000 1.873 789 A HA -0.121 4.198 4.320 -0.001 0.000 0.218 789 A C 2.148 179.851 177.584 0.200 0.000 1.193 789 A CA 1.818 53.947 52.037 0.153 0.000 0.629 789 A CB -0.786 18.290 19.000 0.127 0.000 0.826 789 A HN 0.446 nan 8.150 nan 0.000 0.447 790 L N -2.068 119.315 121.223 0.268 0.000 2.478 790 L HA 0.010 4.350 4.340 -0.001 0.000 0.223 790 L C 2.118 179.277 176.870 0.482 0.000 1.140 790 L CA 1.080 56.123 54.840 0.337 0.000 0.842 790 L CB -0.443 41.852 42.059 0.392 0.000 0.953 790 L HN 0.481 nan 8.230 nan 0.000 0.452 791 Y N 1.265 121.715 120.300 0.250 0.000 2.145 791 Y HA -0.225 4.324 4.550 -0.001 0.000 0.286 791 Y C 1.959 177.804 175.900 -0.092 0.000 1.145 791 Y CA 1.478 59.555 58.100 -0.039 0.000 1.148 791 Y CB -0.374 37.987 38.460 -0.165 0.000 0.981 791 Y HN 0.192 nan 8.280 nan 0.000 0.507 792 K N 1.337 121.742 120.400 0.010 0.000 3.319 792 K HA -0.090 4.229 4.320 -0.001 0.000 0.296 792 K C -0.365 176.245 176.600 0.017 0.000 0.916 792 K CA 0.608 56.875 56.287 -0.032 0.000 1.103 792 K CB -1.049 31.530 32.500 0.133 0.000 1.142 792 K HN 0.266 nan 8.250 nan 0.000 0.416 793 N N 0.113 118.840 118.700 0.045 0.000 2.581 793 N HA 0.184 4.924 4.740 -0.001 0.000 0.274 793 N C -2.496 173.084 175.510 0.116 0.000 1.629 793 N CA -1.255 51.841 53.050 0.077 0.000 0.884 793 N CB 0.928 39.486 38.487 0.118 0.000 1.423 793 N HN -0.017 nan 8.380 nan 0.000 0.507 794 P HA -0.205 nan 4.420 nan 0.000 0.218 794 P C 1.426 178.828 177.300 0.170 0.000 1.152 794 P CA 1.134 64.286 63.100 0.087 0.000 0.857 794 P CB 0.299 31.966 31.700 -0.054 0.000 0.787 795 R N -0.304 120.259 120.500 0.106 0.000 2.083 795 R HA -0.174 4.165 4.340 -0.001 0.000 0.237 795 R C 1.997 178.374 176.300 0.128 0.000 1.137 795 R CA 1.483 57.642 56.100 0.099 0.000 0.951 795 R CB -0.337 30.000 30.300 0.061 0.000 0.851 795 R HN 0.141 nan 8.270 nan 0.000 0.434 796 E N -0.767 119.515 120.200 0.137 0.000 2.122 796 E HA -0.171 4.179 4.350 -0.001 0.000 0.190 796 E C 1.466 178.160 176.600 0.156 0.000 0.977 796 E CA 0.610 57.082 56.400 0.119 0.000 0.820 796 E CB -0.431 29.326 29.700 0.094 0.000 0.770 796 E HN 0.408 nan 8.360 nan 0.000 0.462 797 W N 2.138 123.480 121.300 0.069 0.000 2.304 797 W HA -0.258 4.401 4.660 -0.001 0.000 0.315 797 W C 2.009 178.567 176.519 0.064 0.000 1.233 797 W CA 2.635 60.038 57.345 0.098 0.000 1.261 797 W CB -0.279 29.275 29.460 0.156 0.000 1.150 797 W HN -0.032 nan 8.180 nan 0.000 0.494 798 T N 0.472 115.308 114.554 0.471 0.000 3.035 798 T HA -0.062 4.288 4.350 -0.001 0.000 0.268 798 T C 1.722 176.480 174.700 0.097 0.000 1.109 798 T CA 0.848 63.147 62.100 0.331 0.000 1.119 798 T CB -0.204 68.843 68.868 0.298 0.000 0.900 798 T HN 0.169 nan 8.240 nan 0.000 0.503 799 R N 0.194 120.732 120.500 0.064 0.000 2.119 799 R HA 0.185 4.525 4.340 -0.001 0.000 0.222 799 R C 2.299 178.571 176.300 -0.047 0.000 1.088 799 R CA 0.734 56.841 56.100 0.012 0.000 0.984 799 R CB -0.266 30.053 30.300 0.032 0.000 0.884 799 R HN 0.355 nan 8.270 nan 0.000 0.447 800 M N 0.318 119.864 119.600 -0.090 0.000 2.098 800 M HA -0.121 4.359 4.480 -0.001 0.000 0.262 800 M C 2.058 178.255 176.300 -0.171 0.000 1.072 800 M CA 1.356 56.572 55.300 -0.141 0.000 1.133 800 M CB -0.046 32.429 32.600 -0.208 0.000 1.344 800 M HN -0.146 nan 8.290 nan 0.000 0.414 801 V N 1.008 120.792 119.914 -0.217 0.000 2.250 801 V HA -0.361 3.759 4.120 -0.001 0.000 0.250 801 V C 2.324 178.330 176.094 -0.147 0.000 1.060 801 V CA 2.325 64.519 62.300 -0.177 0.000 1.030 801 V CB -0.845 30.932 31.823 -0.077 0.000 0.643 801 V HN 0.550 nan 8.190 nan 0.000 0.445 802 I N -0.861 119.616 120.570 -0.155 0.000 2.264 802 I HA -0.284 3.886 4.170 -0.001 0.000 0.248 802 I C 2.727 178.736 176.117 -0.180 0.000 1.111 802 I CA 1.687 62.840 61.300 -0.245 0.000 1.382 802 I CB -0.632 37.204 38.000 -0.274 0.000 1.060 802 I HN 0.294 nan 8.210 nan 0.000 0.418 803 R N 0.680 121.108 120.500 -0.120 0.000 2.073 803 R HA -0.068 4.272 4.340 -0.001 0.000 0.229 803 R C 2.130 178.390 176.300 -0.066 0.000 1.120 803 R CA 0.991 57.045 56.100 -0.077 0.000 0.967 803 R CB -0.211 30.055 30.300 -0.056 0.000 0.862 803 R HN 0.501 nan 8.270 nan 0.000 0.436 804 N N 0.760 119.404 118.700 -0.092 0.000 2.069 804 N HA -0.172 4.568 4.740 -0.001 0.000 0.191 804 N C 1.964 177.447 175.510 -0.044 0.000 1.031 804 N CA 1.367 54.367 53.050 -0.084 0.000 0.852 804 N CB -0.154 38.234 38.487 -0.166 0.000 1.018 804 N HN 0.186 nan 8.380 nan 0.000 0.423 805 I N 1.585 122.112 120.570 -0.071 0.000 2.179 805 I HA -0.216 3.954 4.170 -0.001 0.000 0.242 805 I C 2.536 178.635 176.117 -0.030 0.000 1.088 805 I CA 0.852 62.125 61.300 -0.046 0.000 1.357 805 I CB -0.366 37.580 38.000 -0.091 0.000 1.051 805 I HN 0.057 nan 8.210 nan 0.000 0.409 806 A N -0.498 122.284 122.820 -0.064 0.000 1.986 806 A HA -0.243 4.076 4.320 -0.001 0.000 0.220 806 A C 2.359 179.936 177.584 -0.012 0.000 1.171 806 A CA 2.506 54.517 52.037 -0.043 0.000 0.640 806 A CB -0.925 18.050 19.000 -0.042 0.000 0.811 806 A HN 0.393 nan 8.150 nan 0.000 0.451 807 T N -0.913 113.639 114.554 -0.003 0.000 3.081 807 T HA 0.077 4.427 4.350 -0.001 0.000 0.250 807 T C 1.754 176.447 174.700 -0.012 0.000 1.100 807 T CA 0.880 62.981 62.100 0.001 0.000 1.038 807 T CB -0.250 68.630 68.868 0.020 0.000 0.962 807 T HN 0.480 nan 8.240 nan 0.000 0.516 808 S N 0.733 116.457 115.700 0.040 0.000 2.469 808 S HA -0.035 4.435 4.470 -0.001 0.000 0.238 808 S C 2.217 176.798 174.600 -0.031 0.000 0.998 808 S CA 0.793 59.056 58.200 0.105 0.000 0.957 808 S CB -0.425 62.881 63.200 0.176 0.000 0.764 808 S HN 0.635 nan 8.310 nan 0.000 0.514 809 G N 1.402 110.161 108.800 -0.067 0.000 2.527 809 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.219 809 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.219 809 G C 1.290 176.092 174.900 -0.163 0.000 1.117 809 G CA 0.422 45.481 45.100 -0.067 0.000 0.759 809 G HN 0.361 nan 8.290 nan 0.000 0.556 810 K N -0.020 120.133 120.400 -0.411 0.000 2.366 810 K HA 0.055 4.375 4.320 -0.001 0.000 0.198 810 K C 0.356 176.787 176.600 -0.282 0.000 1.044 810 K CA 0.067 56.114 56.287 -0.400 0.000 0.973 810 K CB -0.100 32.075 32.500 -0.543 0.000 0.767 810 K HN 0.303 nan 8.250 nan 0.000 0.475 811 F N 1.031 121.014 119.950 0.054 0.000 2.913 811 F HA 0.184 4.711 4.527 -0.001 0.000 0.293 811 F C 0.510 176.353 175.800 0.071 0.000 1.223 811 F CA -0.455 57.583 58.000 0.064 0.000 1.393 811 F CB -0.284 38.755 39.000 0.064 0.000 1.102 811 F HN -0.223 nan 8.300 nan 0.000 0.524 812 S N -0.715 115.091 115.700 0.176 0.000 2.532 812 S HA 0.361 4.831 4.470 -0.001 0.000 0.299 812 S C 1.132 175.804 174.600 0.119 0.000 1.105 812 S CA -0.221 58.064 58.200 0.142 0.000 1.018 812 S CB 1.194 64.443 63.200 0.081 0.000 1.021 812 S HN 0.244 nan 8.310 nan 0.000 0.483 813 S N 3.339 119.125 115.700 0.144 0.000 2.387 813 S HA -0.164 4.306 4.470 -0.001 0.000 0.230 813 S C 1.136 175.737 174.600 0.002 0.000 1.035 813 S CA 1.464 59.736 58.200 0.119 0.000 1.014 813 S CB -0.648 62.677 63.200 0.209 0.000 0.836 813 S HN 0.840 nan 8.310 nan 0.000 0.466 814 D N 1.426 121.832 120.400 0.010 0.000 2.158 814 D HA -0.148 4.492 4.640 -0.001 0.000 0.197 814 D C 2.115 178.394 176.300 -0.035 0.000 0.995 814 D CA 1.008 54.996 54.000 -0.019 0.000 0.846 814 D CB -0.292 40.503 40.800 -0.009 0.000 0.941 814 D HN 0.381 nan 8.370 nan 0.000 0.456 815 R N 0.919 121.406 120.500 -0.021 0.000 2.061 815 R HA -0.096 4.244 4.340 -0.001 0.000 0.230 815 R C 2.070 178.339 176.300 -0.052 0.000 1.140 815 R CA 1.537 57.619 56.100 -0.029 0.000 0.940 815 R CB -0.844 29.446 30.300 -0.018 0.000 0.839 815 R HN 0.043 nan 8.270 nan 0.000 0.429 816 T N 2.409 116.940 114.554 -0.039 0.000 2.680 816 T HA -0.173 4.176 4.350 -0.001 0.000 0.268 816 T C 1.888 176.520 174.700 -0.113 0.000 1.033 816 T CA 1.687 63.755 62.100 -0.053 0.000 1.152 816 T CB -0.141 68.715 68.868 -0.020 0.000 0.859 816 T HN 0.175 nan 8.240 nan 0.000 0.452 817 I N 1.383 121.817 120.570 -0.227 0.000 2.286 817 I HA -0.027 4.143 4.170 -0.001 0.000 0.245 817 I C 2.979 179.035 176.117 -0.102 0.000 1.104 817 I CA 0.911 62.079 61.300 -0.220 0.000 1.397 817 I CB -1.719 36.160 38.000 -0.201 0.000 1.072 817 I HN 0.199 nan 8.210 nan 0.000 0.417 818 A N 0.644 123.421 122.820 -0.073 0.000 1.917 818 A HA -0.271 4.049 4.320 -0.001 0.000 0.219 818 A C 2.281 179.814 177.584 -0.086 0.000 1.182 818 A CA 1.839 53.846 52.037 -0.050 0.000 0.633 818 A CB -0.680 18.297 19.000 -0.039 0.000 0.819 818 A HN 0.527 nan 8.150 nan 0.000 0.448 819 Q N -1.901 117.825 119.800 -0.124 0.000 2.049 819 Q HA -0.152 4.188 4.340 -0.001 0.000 0.198 819 Q C 1.977 177.803 176.000 -0.291 0.000 0.971 819 Q CA 1.648 57.341 55.803 -0.183 0.000 0.833 819 Q CB -0.336 28.278 28.738 -0.207 0.000 0.896 819 Q HN 0.819 nan 8.270 nan 0.000 0.434 820 Y N 0.716 120.722 120.300 -0.490 0.000 2.207 820 Y HA -0.279 4.270 4.550 -0.001 0.000 0.287 820 Y C 2.419 177.717 175.900 -1.002 0.000 1.156 820 Y CA 1.035 58.600 58.100 -0.891 0.000 1.182 820 Y CB -0.616 36.960 38.460 -1.474 0.000 0.979 820 Y HN 0.165 nan 8.280 nan 0.000 0.521 821 A N 0.569 123.128 122.820 -0.436 0.000 1.841 821 A HA -0.255 4.065 4.320 -0.001 0.000 0.216 821 A C 2.283 179.870 177.584 0.005 0.000 1.199 821 A CA 2.279 54.315 52.037 -0.002 0.000 0.621 821 A CB -0.676 18.369 19.000 0.075 0.000 0.835 821 A HN 0.432 nan 8.150 nan 0.000 0.445 822 R N -0.764 119.706 120.500 -0.051 0.000 2.057 822 R HA -0.050 4.290 4.340 -0.001 0.000 0.229 822 R C 2.169 178.438 176.300 -0.050 0.000 1.136 822 R CA 1.637 57.717 56.100 -0.033 0.000 0.952 822 R CB -0.279 29.997 30.300 -0.041 0.000 0.848 822 R HN 0.668 nan 8.270 nan 0.000 0.430 823 E N -0.165 119.974 120.200 -0.102 0.000 2.190 823 E HA 0.035 4.385 4.350 -0.001 0.000 0.191 823 E C 1.772 178.340 176.600 -0.053 0.000 0.978 823 E CA 0.611 56.964 56.400 -0.078 0.000 0.839 823 E CB 0.337 29.978 29.700 -0.100 0.000 0.787 823 E HN 0.289 nan 8.360 nan 0.000 0.473 824 I N -0.813 119.696 120.570 -0.103 0.000 2.681 824 I HA -0.034 4.136 4.170 -0.001 0.000 0.247 824 I C 1.693 177.896 176.117 0.143 0.000 1.091 824 I CA 0.241 61.547 61.300 0.011 0.000 1.442 824 I CB -0.025 37.911 38.000 -0.106 0.000 1.219 824 I HN 0.152 nan 8.210 nan 0.000 0.451 825 W N 1.152 122.536 121.300 0.140 0.000 2.494 825 W HA 0.264 4.924 4.660 -0.001 0.000 0.286 825 W C 1.465 178.008 176.519 0.041 0.000 1.218 825 W CA 1.113 58.523 57.345 0.109 0.000 1.313 825 W CB -1.005 28.520 29.460 0.108 0.000 1.105 825 W HN 0.329 nan 8.180 nan 0.000 0.561 826 G N 0.481 109.411 108.800 0.216 0.000 2.288 826 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.205 826 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.205 826 G C -0.634 174.324 174.900 0.095 0.000 1.071 826 G CA -0.154 45.013 45.100 0.111 0.000 0.788 826 G HN 0.464 nan 8.290 nan 0.000 0.491 827 V N -3.815 116.171 119.914 0.119 0.000 2.841 827 V HA 0.887 5.006 4.120 -0.001 0.000 0.310 827 V C -0.367 175.772 176.094 0.075 0.000 1.090 827 V CA -1.625 60.728 62.300 0.090 0.000 0.930 827 V CB 2.252 34.142 31.823 0.112 0.000 1.014 827 V HN 0.147 nan 8.190 nan 0.000 0.425 828 E N 3.650 123.877 120.200 0.045 0.000 2.249 828 E HA 0.538 4.887 4.350 -0.001 0.000 0.280 828 E C -2.338 174.286 176.600 0.040 0.000 1.016 828 E CA -1.573 54.849 56.400 0.036 0.000 0.830 828 E CB 1.969 31.684 29.700 0.026 0.000 1.081 828 E HN 0.670 nan 8.360 nan 0.000 0.395 829 P HA 0.119 nan 4.420 nan 0.000 0.296 829 P C -0.796 176.527 177.300 0.038 0.000 1.295 829 P CA -0.318 62.807 63.100 0.042 0.000 0.754 829 P CB 0.542 32.264 31.700 0.036 0.000 1.311 830 S N -1.506 114.219 115.700 0.042 0.000 2.590 830 S HA 0.253 4.722 4.470 -0.001 0.000 0.286 830 S C -0.247 174.382 174.600 0.047 0.000 1.147 830 S CA -0.597 57.630 58.200 0.045 0.000 0.963 830 S CB 0.359 63.593 63.200 0.056 0.000 1.124 830 S HN 0.258 nan 8.310 nan 0.000 0.458 831 R N 1.896 122.421 120.500 0.042 0.000 2.356 831 R HA 0.169 4.508 4.340 -0.001 0.000 0.234 831 R C 0.813 177.140 176.300 0.045 0.000 0.929 831 R CA -0.147 55.980 56.100 0.045 0.000 1.084 831 R CB 0.161 30.485 30.300 0.040 0.000 1.105 831 R HN 0.650 nan 8.270 nan 0.000 0.515 832 Q N 1.029 120.855 119.800 0.043 0.000 2.540 832 Q HA -0.021 4.319 4.340 -0.001 0.000 0.256 832 Q C -0.585 175.431 176.000 0.026 0.000 1.084 832 Q CA 0.572 56.396 55.803 0.034 0.000 0.956 832 Q CB 0.631 29.393 28.738 0.039 0.000 1.303 832 Q HN -0.094 nan 8.270 nan 0.000 0.509 833 R N 1.806 122.310 120.500 0.008 0.000 2.294 833 R HA 0.383 4.723 4.340 -0.001 0.000 0.319 833 R C -1.242 175.040 176.300 -0.031 0.000 0.984 833 R CA -0.551 55.542 56.100 -0.010 0.000 0.861 833 R CB 0.836 31.125 30.300 -0.019 0.000 1.104 833 R HN 0.548 nan 8.270 nan 0.000 0.451 834 L N 6.837 128.029 121.223 -0.052 0.000 2.367 834 L HA 0.238 4.577 4.340 -0.001 0.000 0.275 834 L C -1.254 175.554 176.870 -0.104 0.000 1.129 834 L CA -1.250 53.520 54.840 -0.117 0.000 0.839 834 L CB 0.902 42.865 42.059 -0.159 0.000 1.133 834 L HN 0.617 nan 8.230 nan 0.000 0.453 835 P HA -0.236 nan 4.420 nan 0.000 0.205 835 P C 0.730 177.990 177.300 -0.067 0.000 1.181 835 P CA 1.663 64.719 63.100 -0.074 0.000 0.933 835 P CB -0.077 31.580 31.700 -0.072 0.000 0.775 836 A N -0.558 122.218 122.820 -0.073 0.000 5.668 836 A HA -0.197 4.122 4.320 -0.001 0.000 0.317 836 A C -1.437 176.131 177.584 -0.026 0.000 1.826 836 A CA 1.691 53.697 52.037 -0.051 0.000 0.735 836 A CB -3.335 15.628 19.000 -0.061 0.000 1.336 836 A HN 0.446 nan 8.150 nan 0.000 0.396 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.110 63.100 0.016 0.000 0.800 837 P CB 0.000 31.723 31.700 0.038 0.000 0.726