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 1lf6_1_A DATA FIRST_RESID 11 DATA SEQUENCE SIKIDRFNNI SAVNGPGEED TWASAQKQGV GTANNYVSKV WFTLANGAIS DATA SEQUENCE EVYYPTIDTA DVKEIKFIVT DGKSFVPDET KDAISKVEKF TDKSLGYKLV DATA SEQUENCE NTDKKGRYRI TKDIFTDVKR NSLIMKAKFE ALEGSIHDYK LYLAYDPHIK DATA SEQUENCE NQGSYNEGYV IKANNNEMLM AKRDNVYTAL SSNIGWKGYS IGYYKVNDIM DATA SEQUENCE TDLDENKQMT KHYDSARGNI IEGAEIDLTK NSEFEIVLSF GQSDSEAAKT DATA SEQUENCE ALETLGEDYN NLKNNYIDEW TKYCNTLNNF NGKANSLYYN SMMILKASED DATA SEQUENCE KTNKGAYIAS LSIPWGDGQR DDNTGGYHLV WSRDLYHVAN AFIAAGDVDS DATA SEQUENCE ANRSLDYLAK VVKDNGMIPQ NTWISGKPYW TGIQLDEQAD PIILSYRLKR DATA SEQUENCE YDLYDSLVKP LADFIIKIGP KTGQERWEEI GGYSPATMAA EVAGLTCAAY DATA SEQUENCE IAEQNKDYES AQKYQEKADN WQKLIDNLTY TENGPLGNGQ YYIRIAGLSD DATA SEQUENCE PDADFMINIA NGGGVYDQKE IVDPSFLELV RLGVKSADDP KILNTLKVVD DATA SEQUENCE STIKVDTPKG PSWYRYNHDG YGEPSKTELY HGAGKGRLWP LLTGERGMYE DATA SEQUENCE IAAGKDATPY VKAMEKFANE GGIISEQVWE DTGLPTDSAS PLNWAHAEYV DATA SEQUENCE ILFASNIEHK VLDMPDIVYK RYVA 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 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.604 174.600 0.006 0.000 1.055 11 S CA 0.000 58.204 58.200 0.006 0.000 1.107 11 S CB 0.000 63.203 63.200 0.005 0.000 0.593 12 I N 1.992 122.566 120.570 0.006 0.000 2.865 12 I HA 0.581 4.752 4.170 0.002 0.000 0.302 12 I C -1.588 174.536 176.117 0.011 0.000 1.140 12 I CA -0.683 60.622 61.300 0.008 0.000 1.021 12 I CB 2.102 40.105 38.000 0.005 0.000 1.233 12 I HN 0.336 nan 8.210 nan 0.000 0.427 13 K N 8.524 128.934 120.400 0.015 0.000 2.478 13 K HA 0.445 4.767 4.320 0.002 0.000 0.236 13 K C -1.204 175.415 176.600 0.031 0.000 1.021 13 K CA -0.570 55.730 56.287 0.022 0.000 1.010 13 K CB 0.513 33.026 32.500 0.021 0.000 1.331 13 K HN 0.583 nan 8.250 nan 0.000 0.470 14 I N 0.501 121.091 120.570 0.032 0.000 2.336 14 I HA 0.460 4.632 4.170 0.002 0.000 0.292 14 I C -1.029 175.127 176.117 0.064 0.000 0.991 14 I CA -0.715 60.612 61.300 0.046 0.000 1.227 14 I CB 1.344 39.364 38.000 0.032 0.000 1.366 14 I HN 0.245 nan 8.210 nan 0.000 0.466 15 D N 5.994 126.454 120.400 0.100 0.000 2.492 15 D HA 0.392 5.034 4.640 0.002 0.000 0.248 15 D C -0.610 175.811 176.300 0.201 0.000 1.101 15 D CA -0.329 53.753 54.000 0.137 0.000 0.840 15 D CB 2.196 43.085 40.800 0.148 0.000 1.209 15 D HN 0.581 nan 8.370 nan 0.000 0.524 16 R N 1.904 122.489 120.500 0.141 0.000 2.540 16 R HA 0.673 5.015 4.340 0.002 0.000 0.287 16 R C -1.120 175.273 176.300 0.155 0.000 0.980 16 R CA -0.632 55.500 56.100 0.053 0.000 0.966 16 R CB 0.764 31.052 30.300 -0.021 0.000 1.106 16 R HN 0.389 nan 8.270 nan 0.000 0.480 17 F N 0.906 120.888 119.950 0.053 0.000 2.596 17 F HA 0.409 4.937 4.527 0.002 0.000 0.311 17 F C -1.147 174.690 175.800 0.061 0.000 1.116 17 F CA -1.298 56.733 58.000 0.051 0.000 0.957 17 F CB 1.454 40.491 39.000 0.061 0.000 1.250 17 F HN 0.375 nan 8.300 nan 0.000 0.444 18 N N 2.308 121.113 118.700 0.175 0.000 2.904 18 N HA 0.335 5.076 4.740 0.002 0.000 0.257 18 N C -0.572 175.045 175.510 0.178 0.000 1.363 18 N CA -0.377 52.743 53.050 0.116 0.000 0.856 18 N CB 0.110 38.620 38.487 0.039 0.000 1.166 18 N HN 0.824 nan 8.380 nan 0.000 0.499 19 N N 1.007 119.871 118.700 0.274 0.000 2.207 19 N HA 0.174 4.915 4.740 0.002 0.000 0.182 19 N C -0.376 175.243 175.510 0.181 0.000 1.020 19 N CA 0.873 54.055 53.050 0.221 0.000 0.858 19 N CB 0.364 39.003 38.487 0.252 0.000 0.991 19 N HN 0.382 nan 8.380 nan 0.000 0.427 20 I N -0.075 120.624 120.570 0.215 0.000 2.586 20 I HA 0.194 4.365 4.170 0.002 0.000 0.288 20 I C -1.066 175.191 176.117 0.234 0.000 1.147 20 I CA -0.521 60.913 61.300 0.223 0.000 1.047 20 I CB 2.281 40.440 38.000 0.264 0.000 1.244 20 I HN -0.158 nan 8.210 nan 0.000 0.429 21 S N 3.585 119.368 115.700 0.138 0.000 2.585 21 S HA 0.717 5.188 4.470 0.002 0.000 0.277 21 S C 0.368 174.864 174.600 -0.174 0.000 1.241 21 S CA -0.663 57.553 58.200 0.027 0.000 1.041 21 S CB 1.659 64.864 63.200 0.008 0.000 0.987 21 S HN 0.714 nan 8.310 nan 0.000 0.512 22 A N 1.929 124.492 122.820 -0.429 0.000 2.448 22 A HA 0.510 4.831 4.320 0.002 0.000 0.239 22 A C 0.310 177.657 177.584 -0.395 0.000 1.080 22 A CA -0.420 50.999 52.037 -1.030 0.000 0.779 22 A CB -0.152 18.322 19.000 -0.876 0.000 1.026 22 A HN 0.992 nan 8.150 nan 0.000 0.499 23 V N -0.800 118.894 119.914 -0.365 0.000 2.919 23 V HA 0.637 4.758 4.120 0.002 0.000 0.316 23 V C 0.027 176.132 176.094 0.018 0.000 1.077 23 V CA -0.898 61.361 62.300 -0.070 0.000 0.977 23 V CB 1.551 33.344 31.823 -0.051 0.000 1.039 23 V HN 1.001 nan 8.190 nan 0.000 0.441 24 N N 0.945 119.614 118.700 -0.052 0.000 2.738 24 N HA -0.132 4.610 4.740 0.002 0.000 0.249 24 N C 0.423 175.755 175.510 -0.297 0.000 1.047 24 N CA 1.120 54.103 53.050 -0.112 0.000 0.707 24 N CB -1.150 37.310 38.487 -0.046 0.000 0.937 24 N HN 1.410 nan 8.380 nan 0.000 0.545 25 G N 0.745 109.166 108.800 -0.631 0.000 2.553 25 G HA2 0.409 4.370 3.960 0.002 0.000 0.278 25 G HA3 0.409 4.370 3.960 0.002 0.000 0.278 25 G C -0.584 173.945 174.900 -0.620 0.000 1.349 25 G CA -0.323 43.941 45.100 -1.393 0.000 1.037 25 G HN 0.106 nan 8.290 nan 0.000 0.508 26 P HA 0.238 nan 4.420 nan 0.000 0.257 26 P C 0.660 177.774 177.300 -0.310 0.000 1.281 26 P CA 0.906 63.667 63.100 -0.564 0.000 0.826 26 P CB 0.215 31.818 31.700 -0.161 0.000 1.237 27 G N 0.463 109.112 108.800 -0.253 0.000 2.707 27 G HA2 -0.164 3.797 3.960 0.002 0.000 0.686 27 G HA3 -0.164 3.797 3.960 0.002 0.000 0.686 27 G C -1.038 173.879 174.900 0.030 0.000 1.315 27 G CA -0.735 44.374 45.100 0.016 0.000 0.832 27 G HN 0.372 nan 8.290 nan 0.000 0.573 28 E N -0.186 120.048 120.200 0.057 0.000 2.345 28 E HA 0.406 4.757 4.350 0.002 0.000 0.259 28 E C 0.662 177.381 176.600 0.198 0.000 1.117 28 E CA -0.379 56.057 56.400 0.060 0.000 0.913 28 E CB 0.497 30.163 29.700 -0.055 0.000 1.057 28 E HN 0.484 nan 8.360 nan 0.000 0.432 29 E N 1.098 121.377 120.200 0.133 0.000 2.373 29 E HA 0.069 4.421 4.350 0.002 0.000 0.263 29 E C -0.723 175.986 176.600 0.182 0.000 1.073 29 E CA -0.113 56.347 56.400 0.100 0.000 0.894 29 E CB 0.944 30.674 29.700 0.049 0.000 1.008 29 E HN 0.348 nan 8.360 nan 0.000 0.420 30 D N -0.535 119.878 120.400 0.021 0.000 2.689 30 D HA 0.478 5.119 4.640 0.002 0.000 0.255 30 D C -1.092 175.155 176.300 -0.088 0.000 1.113 30 D CA -0.390 53.565 54.000 -0.076 0.000 1.115 30 D CB 2.118 42.735 40.800 -0.306 0.000 1.334 30 D HN 0.277 nan 8.370 nan 0.000 0.621 31 T N -0.992 113.491 114.554 -0.118 0.000 2.843 31 T HA 0.495 4.847 4.350 0.002 0.000 0.302 31 T C -1.266 173.338 174.700 -0.160 0.000 1.232 31 T CA -0.544 61.509 62.100 -0.077 0.000 1.009 31 T CB 0.244 69.152 68.868 0.067 0.000 1.254 31 T HN 0.299 nan 8.240 nan 0.000 0.504 32 W N 1.343 122.704 121.300 0.102 0.000 2.030 32 W HA 0.683 5.344 4.660 0.002 0.000 0.371 32 W C 0.781 177.312 176.519 0.020 0.000 1.456 32 W CA -0.531 56.843 57.345 0.047 0.000 1.570 32 W CB 0.331 29.832 29.460 0.068 0.000 1.249 32 W HN 0.802 nan 8.180 nan 0.000 0.677 33 A N 0.738 123.732 122.820 0.289 0.000 2.287 33 A HA 0.376 4.697 4.320 0.002 0.000 0.273 33 A C 0.167 177.827 177.584 0.127 0.000 1.091 33 A CA -0.426 51.702 52.037 0.152 0.000 0.817 33 A CB 0.239 19.307 19.000 0.113 0.000 1.069 33 A HN 0.491 nan 8.150 nan 0.000 0.492 34 S N -0.230 115.517 115.700 0.079 0.000 2.558 34 S HA 0.236 4.708 4.470 0.002 0.000 0.293 34 S C 1.244 175.831 174.600 -0.021 0.000 1.292 34 S CA 0.076 58.297 58.200 0.035 0.000 1.063 34 S CB 0.381 63.599 63.200 0.030 0.000 0.831 34 S HN 1.513 nan 8.310 nan 0.000 0.499 35 A N 3.520 126.275 122.820 -0.108 0.000 2.167 35 A HA 0.108 4.429 4.320 0.002 0.000 0.214 35 A C 1.095 178.554 177.584 -0.209 0.000 1.151 35 A CA 0.543 52.461 52.037 -0.197 0.000 0.735 35 A CB -0.337 18.438 19.000 -0.374 0.000 0.802 35 A HN 0.842 nan 8.150 nan 0.000 0.467 36 Q N 1.691 121.395 119.800 -0.161 0.000 2.307 36 Q HA 0.245 4.586 4.340 0.002 0.000 0.261 36 Q C -0.893 175.052 176.000 -0.092 0.000 1.051 36 Q CA 0.182 55.903 55.803 -0.137 0.000 0.911 36 Q CB 0.386 29.068 28.738 -0.093 0.000 1.227 36 Q HN 0.118 nan 8.270 nan 0.000 0.418 37 K N 3.938 124.276 120.400 -0.104 0.000 2.182 37 K HA 0.206 4.527 4.320 0.002 0.000 0.262 37 K C 0.088 176.632 176.600 -0.093 0.000 0.957 37 K CA -0.474 55.758 56.287 -0.092 0.000 0.842 37 K CB 1.448 33.884 32.500 -0.108 0.000 1.099 37 K HN 0.728 nan 8.250 nan 0.000 0.438 38 Q N 0.204 119.942 119.800 -0.103 0.000 2.331 38 Q HA 0.115 4.457 4.340 0.002 0.000 0.203 38 Q C 0.458 176.329 176.000 -0.215 0.000 0.944 38 Q CA 0.387 56.126 55.803 -0.107 0.000 0.892 38 Q CB 0.596 29.285 28.738 -0.082 0.000 0.983 38 Q HN 0.809 nan 8.270 nan 0.000 0.482 39 G N -0.331 108.260 108.800 -0.348 0.000 2.489 39 G HA2 0.446 4.407 3.960 0.002 0.000 0.291 39 G HA3 0.446 4.407 3.960 0.002 0.000 0.291 39 G C -1.724 172.896 174.900 -0.466 0.000 1.487 39 G CA -0.350 44.366 45.100 -0.639 0.000 0.795 39 G HN 0.111 nan 8.290 nan 0.000 0.513 40 V N -2.041 117.669 119.914 -0.338 0.000 2.971 40 V HA 1.070 5.192 4.120 0.002 0.000 0.309 40 V C 0.095 175.949 176.094 -0.400 0.000 1.130 40 V CA 0.021 62.109 62.300 -0.352 0.000 0.964 40 V CB 1.522 33.219 31.823 -0.211 0.000 1.029 40 V HN 2.300 nan 8.190 nan 0.000 0.427 41 G N 0.227 108.506 108.800 -0.868 0.000 2.623 41 G HA2 0.795 4.756 3.960 0.002 0.000 0.290 41 G HA3 0.795 4.756 3.960 0.002 0.000 0.290 41 G C -1.000 173.754 174.900 -0.243 0.000 1.437 41 G CA 0.030 44.786 45.100 -0.574 0.000 0.798 41 G HN 1.536 nan 8.290 nan 0.000 0.488 42 T N -1.679 113.065 114.554 0.318 0.000 2.843 42 T HA 0.629 4.980 4.350 0.002 0.000 0.337 42 T C -0.492 174.467 174.700 0.431 0.000 1.754 42 T CA 0.527 62.781 62.100 0.256 0.000 1.052 42 T CB 0.921 69.618 68.868 -0.285 0.000 1.588 42 T HN 1.991 nan 8.240 nan 0.000 0.493 43 A N 2.434 125.370 122.820 0.193 0.000 2.445 43 A HA 0.438 4.760 4.320 0.002 0.000 0.242 43 A C 0.656 177.936 177.584 -0.506 0.000 1.075 43 A CA -0.085 51.907 52.037 -0.076 0.000 0.777 43 A CB -0.158 18.828 19.000 -0.023 0.000 1.013 43 A HN 0.759 nan 8.150 nan 0.000 0.493 44 N N 2.163 120.227 118.700 -1.059 0.000 3.243 44 N HA 0.056 4.797 4.740 0.002 0.000 0.310 44 N C -0.465 174.572 175.510 -0.789 0.000 1.313 44 N CA 0.055 52.321 53.050 -1.307 0.000 1.204 44 N CB -0.639 36.633 38.487 -2.027 0.000 1.483 44 N HN 0.768 nan 8.380 nan 0.000 0.553 45 N N -1.184 117.134 118.700 -0.635 0.000 2.927 45 N HA 0.023 4.764 4.740 0.002 0.000 0.248 45 N C -0.534 174.661 175.510 -0.525 0.000 1.443 45 N CA -0.547 52.193 53.050 -0.516 0.000 0.870 45 N CB 0.289 38.604 38.487 -0.287 0.000 1.444 45 N HN -0.026 nan 8.380 nan 0.000 0.519 46 Y N -0.163 120.053 120.300 -0.140 0.000 2.482 46 Y HA 0.139 4.690 4.550 0.002 0.000 0.270 46 Y C 2.159 178.011 175.900 -0.080 0.000 1.152 46 Y CA 0.002 58.039 58.100 -0.104 0.000 1.292 46 Y CB 0.397 38.816 38.460 -0.067 0.000 1.070 46 Y HN 0.309 nan 8.280 nan 0.000 0.528 47 V N -1.175 118.757 119.914 0.030 0.000 2.283 47 V HA -0.195 3.927 4.120 0.002 0.000 0.243 47 V C 1.341 177.440 176.094 0.009 0.000 1.039 47 V CA 1.437 63.755 62.300 0.029 0.000 1.016 47 V CB -0.532 31.301 31.823 0.017 0.000 0.650 47 V HN 0.209 nan 8.190 nan 0.000 0.449 48 S N 1.098 116.771 115.700 -0.044 0.000 2.498 48 S HA 0.106 4.577 4.470 0.002 0.000 0.314 48 S C 0.495 175.002 174.600 -0.156 0.000 1.141 48 S CA -0.373 57.801 58.200 -0.043 0.000 1.087 48 S CB -0.551 62.634 63.200 -0.026 0.000 1.178 48 S HN 0.454 nan 8.310 nan 0.000 0.533 49 K N 3.940 124.301 120.400 -0.065 0.000 2.758 49 K HA 0.269 4.591 4.320 0.002 0.000 0.250 49 K C -0.943 175.618 176.600 -0.064 0.000 1.268 49 K CA -0.207 55.987 56.287 -0.156 0.000 1.228 49 K CB 0.200 32.746 32.500 0.076 0.000 1.715 49 K HN 0.326 nan 8.250 nan 0.000 0.334 50 V N 1.123 120.875 119.914 -0.269 0.000 2.686 50 V HA 0.401 4.523 4.120 0.002 0.000 0.306 50 V C -0.770 175.319 176.094 -0.009 0.000 1.065 50 V CA -0.997 61.310 62.300 0.011 0.000 0.894 50 V CB 1.899 33.770 31.823 0.080 0.000 1.004 50 V HN 0.473 nan 8.190 nan 0.000 0.424 51 W N 4.838 126.275 121.300 0.229 0.000 2.761 51 W HA 0.709 5.370 4.660 0.002 0.000 0.340 51 W C -0.780 175.956 176.519 0.361 0.000 1.072 51 W CA -0.686 56.793 57.345 0.223 0.000 1.215 51 W CB 2.291 31.802 29.460 0.085 0.000 1.420 51 W HN 0.654 nan 8.180 nan 0.000 0.519 52 F N -0.095 120.112 119.950 0.429 0.000 2.603 52 F HA 0.828 5.357 4.527 0.002 0.000 0.317 52 F C -0.459 175.482 175.800 0.234 0.000 1.066 52 F CA -1.060 57.129 58.000 0.316 0.000 0.941 52 F CB 1.476 40.601 39.000 0.209 0.000 1.291 52 F HN 0.113 nan 8.300 nan 0.000 0.472 53 T N 0.271 115.018 114.554 0.322 0.000 2.903 53 T HA 0.787 5.139 4.350 0.002 0.000 0.299 53 T C -1.298 173.500 174.700 0.163 0.000 1.093 53 T CA -0.870 61.303 62.100 0.121 0.000 1.002 53 T CB 1.778 70.717 68.868 0.118 0.000 1.127 53 T HN 0.854 nan 8.240 nan 0.000 0.488 54 L N 1.233 122.467 121.223 0.018 0.000 2.362 54 L HA 0.908 5.249 4.340 0.002 0.000 0.271 54 L C -0.258 176.598 176.870 -0.023 0.000 1.002 54 L CA -1.233 53.607 54.840 0.001 0.000 0.818 54 L CB 1.969 43.968 42.059 -0.100 0.000 1.298 54 L HN 1.118 nan 8.230 nan 0.000 0.420 55 A N 1.580 124.406 122.820 0.010 0.000 2.540 55 A HA 0.477 4.798 4.320 0.002 0.000 0.297 55 A C -0.278 177.325 177.584 0.032 0.000 1.056 55 A CA -0.603 51.440 52.037 0.010 0.000 0.700 55 A CB 0.998 20.008 19.000 0.017 0.000 1.280 55 A HN 0.904 nan 8.150 nan 0.000 0.398 56 N N 0.746 119.465 118.700 0.031 0.000 2.727 56 N HA -0.196 4.545 4.740 0.002 0.000 0.249 56 N C 0.946 176.495 175.510 0.065 0.000 1.048 56 N CA 1.707 54.786 53.050 0.049 0.000 0.714 56 N CB -0.720 37.801 38.487 0.057 0.000 0.959 56 N HN 2.371 nan 8.380 nan 0.000 0.544 57 G N -2.079 106.756 108.800 0.059 0.000 2.148 57 G HA2 -0.074 3.888 3.960 0.002 0.000 0.254 57 G HA3 -0.074 3.888 3.960 0.002 0.000 0.254 57 G C 0.069 175.028 174.900 0.099 0.000 0.981 57 G CA 0.473 45.622 45.100 0.082 0.000 0.670 57 G HN 1.126 nan 8.290 nan 0.000 0.528 58 A N -1.016 121.852 122.820 0.079 0.000 2.587 58 A HA 0.785 5.106 4.320 0.002 0.000 0.293 58 A C -0.035 177.588 177.584 0.064 0.000 1.087 58 A CA -0.638 51.446 52.037 0.077 0.000 0.692 58 A CB 1.004 20.049 19.000 0.076 0.000 1.291 58 A HN 0.773 nan 8.150 nan 0.000 0.407 59 I N 2.367 122.974 120.570 0.061 0.000 2.668 59 I HA 0.061 4.233 4.170 0.002 0.000 0.285 59 I C 1.356 177.531 176.117 0.097 0.000 1.168 59 I CA 0.532 61.886 61.300 0.090 0.000 1.424 59 I CB 0.696 38.739 38.000 0.071 0.000 1.377 59 I HN 0.871 nan 8.210 nan 0.000 0.560 60 S N 4.919 120.693 115.700 0.123 0.000 3.997 60 S HA 0.309 4.781 4.470 0.002 0.000 0.204 60 S C -0.031 174.655 174.600 0.143 0.000 1.001 60 S CA -0.758 57.508 58.200 0.110 0.000 1.662 60 S CB -0.154 63.106 63.200 0.100 0.000 0.765 60 S HN 0.513 nan 8.310 nan 0.000 0.681 61 E N 0.644 120.936 120.200 0.154 0.000 2.413 61 E HA 0.462 4.813 4.350 0.002 0.000 0.263 61 E C -1.154 175.542 176.600 0.160 0.000 1.015 61 E CA 0.085 56.544 56.400 0.098 0.000 0.916 61 E CB 0.573 30.277 29.700 0.007 0.000 0.947 61 E HN 0.383 nan 8.360 nan 0.000 0.440 62 V N 3.726 123.675 119.914 0.059 0.000 2.588 62 V HA 0.352 4.474 4.120 0.002 0.000 0.304 62 V C -1.072 175.037 176.094 0.026 0.000 1.042 62 V CA -0.865 61.584 62.300 0.249 0.000 0.877 62 V CB 0.864 32.917 31.823 0.383 0.000 0.996 62 V HN 0.565 nan 8.190 nan 0.000 0.425 63 Y N 3.923 124.367 120.300 0.239 0.000 2.409 63 Y HA 0.781 5.332 4.550 0.002 0.000 0.339 63 Y C -0.537 175.500 175.900 0.227 0.000 1.033 63 Y CA -0.695 57.519 58.100 0.189 0.000 1.094 63 Y CB 1.987 40.507 38.460 0.100 0.000 1.210 63 Y HN 0.703 nan 8.280 nan 0.000 0.456 64 Y N 4.056 124.412 120.300 0.093 0.000 2.452 64 Y HA 0.261 4.813 4.550 0.002 0.000 0.323 64 Y C -2.851 173.091 175.900 0.071 0.000 1.244 64 Y CA -1.876 56.218 58.100 -0.009 0.000 1.158 64 Y CB 2.200 40.279 38.460 -0.635 0.000 1.332 64 Y HN 0.300 nan 8.280 nan 0.000 0.456 65 P HA 0.123 nan 4.420 nan 0.000 0.261 65 P C -0.306 177.020 177.300 0.044 0.000 1.268 65 P CA 0.471 63.178 63.100 -0.655 0.000 0.833 65 P CB 0.646 31.794 31.700 -0.921 0.000 1.231 66 T N -3.659 110.924 114.554 0.050 0.000 2.924 66 T HA 0.409 4.760 4.350 0.002 0.000 0.291 66 T C 0.845 175.346 174.700 -0.332 0.000 1.045 66 T CA -0.794 61.305 62.100 -0.001 0.000 1.015 66 T CB 1.497 70.337 68.868 -0.047 0.000 1.103 66 T HN -0.179 nan 8.240 nan 0.000 0.496 67 I N 1.031 121.082 120.570 -0.866 0.000 3.083 67 I HA -0.062 4.110 4.170 0.002 0.000 0.273 67 I C 0.994 176.797 176.117 -0.524 0.000 1.297 67 I CA 1.215 61.741 61.300 -1.289 0.000 1.452 67 I CB -0.003 37.168 38.000 -1.382 0.000 1.078 67 I HN 0.790 nan 8.210 nan 0.000 0.484 68 D N -1.004 119.285 120.400 -0.184 0.000 2.462 68 D HA 0.033 4.675 4.640 0.002 0.000 0.221 68 D C -0.014 176.309 176.300 0.038 0.000 1.173 68 D CA -0.021 53.977 54.000 -0.004 0.000 0.831 68 D CB -0.127 40.703 40.800 0.051 0.000 1.001 68 D HN 0.012 nan 8.370 nan 0.000 0.499 69 T N 0.935 115.552 114.554 0.106 0.000 3.053 69 T HA 0.622 4.974 4.350 0.002 0.000 0.363 69 T C -0.049 174.667 174.700 0.027 0.000 1.239 69 T CA -0.567 61.571 62.100 0.063 0.000 1.071 69 T CB 0.959 69.850 68.868 0.038 0.000 1.089 69 T HN 0.291 nan 8.240 nan 0.000 0.527 70 A N 2.029 124.722 122.820 -0.213 0.000 2.363 70 A HA 0.526 4.848 4.320 0.002 0.000 0.270 70 A C 0.607 178.164 177.584 -0.044 0.000 1.121 70 A CA -0.440 51.259 52.037 -0.564 0.000 0.800 70 A CB 0.364 18.856 19.000 -0.847 0.000 1.052 70 A HN 0.706 nan 8.150 nan 0.000 0.493 71 D N 0.748 121.185 120.400 0.062 0.000 2.498 71 D HA 0.195 4.837 4.640 0.002 0.000 0.223 71 D C -0.412 176.059 176.300 0.284 0.000 1.125 71 D CA 0.614 54.774 54.000 0.267 0.000 0.835 71 D CB 0.982 42.040 40.800 0.431 0.000 1.086 71 D HN 0.255 nan 8.370 nan 0.000 0.510 72 V N 1.525 121.575 119.914 0.228 0.000 2.789 72 V HA 0.228 4.350 4.120 0.002 0.000 0.311 72 V C 0.878 177.012 176.094 0.068 0.000 1.073 72 V CA -0.706 61.689 62.300 0.159 0.000 0.921 72 V CB 3.374 35.373 31.823 0.294 0.000 1.009 72 V HN -0.203 nan 8.190 nan 0.000 0.426 73 K N 1.860 122.123 120.400 -0.228 0.000 2.190 73 K HA 0.340 4.662 4.320 0.002 0.000 0.202 73 K C 0.240 176.769 176.600 -0.120 0.000 1.045 73 K CA 0.951 57.048 56.287 -0.317 0.000 0.976 73 K CB 0.652 32.489 32.500 -1.104 0.000 0.849 73 K HN 0.837 nan 8.250 nan 0.000 0.468 74 E N -0.661 119.462 120.200 -0.128 0.000 2.416 74 E HA 0.373 4.725 4.350 0.002 0.000 0.280 74 E C -1.294 175.321 176.600 0.024 0.000 1.055 74 E CA -0.572 55.810 56.400 -0.030 0.000 0.825 74 E CB 2.197 31.864 29.700 -0.054 0.000 1.312 74 E HN 0.015 nan 8.360 nan 0.000 0.452 75 I N 2.432 123.025 120.570 0.038 0.000 2.563 75 I HA 0.242 4.413 4.170 0.002 0.000 0.281 75 I C -0.835 175.239 176.117 -0.072 0.000 1.110 75 I CA -0.517 60.796 61.300 0.022 0.000 1.073 75 I CB 1.238 39.258 38.000 0.034 0.000 1.215 75 I HN 0.385 nan 8.210 nan 0.000 0.460 76 K N 3.997 124.336 120.400 -0.101 0.000 2.433 76 K HA 0.719 5.041 4.320 0.002 0.000 0.252 76 K C -1.570 174.933 176.600 -0.161 0.000 1.015 76 K CA -0.788 55.444 56.287 -0.091 0.000 0.860 76 K CB 2.309 34.829 32.500 0.034 0.000 1.359 76 K HN 0.050 nan 8.250 nan 0.000 0.452 77 F N 0.923 120.957 119.950 0.140 0.000 2.422 77 F HA 0.466 4.994 4.527 0.003 0.000 0.333 77 F C -0.124 175.754 175.800 0.131 0.000 1.095 77 F CA -1.032 57.057 58.000 0.149 0.000 1.038 77 F CB 1.375 40.475 39.000 0.168 0.000 1.156 77 F HN 0.257 nan 8.300 nan 0.000 0.483 78 I N 3.726 124.517 120.570 0.367 0.000 2.466 78 I HA 0.415 4.587 4.170 0.002 0.000 0.289 78 I C -0.767 175.501 176.117 0.251 0.000 1.026 78 I CA -0.836 60.618 61.300 0.256 0.000 1.078 78 I CB 1.378 39.500 38.000 0.203 0.000 1.249 78 I HN 0.284 nan 8.210 nan 0.000 0.429 79 V N 5.847 125.835 119.914 0.124 0.000 2.769 79 V HA 0.850 4.971 4.120 0.002 0.000 0.312 79 V C -0.567 175.646 176.094 0.198 0.000 1.061 79 V CA 0.086 62.419 62.300 0.054 0.000 0.931 79 V CB 2.273 33.925 31.823 -0.285 0.000 1.010 79 V HN 0.976 nan 8.190 nan 0.000 0.433 80 T N 2.213 116.886 114.554 0.199 0.000 2.792 80 T HA 0.401 4.753 4.350 0.002 0.000 0.303 80 T C -0.514 174.135 174.700 -0.085 0.000 1.310 80 T CA 0.239 62.353 62.100 0.024 0.000 1.007 80 T CB 1.812 70.678 68.868 -0.003 0.000 1.335 80 T HN 0.919 nan 8.240 nan 0.000 0.504 81 D N -0.199 119.854 120.400 -0.578 0.000 2.369 81 D HA 0.251 4.893 4.640 0.002 0.000 0.211 81 D C 1.451 177.597 176.300 -0.257 0.000 1.077 81 D CA 0.803 54.553 54.000 -0.416 0.000 0.842 81 D CB -0.314 40.107 40.800 -0.632 0.000 0.947 81 D HN 1.136 nan 8.370 nan 0.000 0.509 82 G N 0.664 109.344 108.800 -0.201 0.000 2.168 82 G HA2 -0.386 3.575 3.960 0.002 0.000 0.263 82 G HA3 -0.386 3.575 3.960 0.002 0.000 0.263 82 G C 0.956 175.783 174.900 -0.122 0.000 0.977 82 G CA 0.917 45.953 45.100 -0.108 0.000 0.659 82 G HN 0.501 nan 8.290 nan 0.000 0.533 83 K N -0.947 119.345 120.400 -0.181 0.000 2.418 83 K HA 0.298 4.619 4.320 0.002 0.000 0.208 83 K C 2.326 178.860 176.600 -0.109 0.000 1.261 83 K CA 0.935 57.148 56.287 -0.124 0.000 0.874 83 K CB 0.157 32.595 32.500 -0.103 0.000 1.451 83 K HN 0.447 nan 8.250 nan 0.000 0.466 84 S N 0.810 116.414 115.700 -0.160 0.000 3.889 84 S HA 0.173 4.644 4.470 0.002 0.000 0.185 84 S C 0.537 175.119 174.600 -0.029 0.000 0.937 84 S CA -0.620 57.548 58.200 -0.053 0.000 0.985 84 S CB -0.738 62.495 63.200 0.055 0.000 1.299 84 S HN 0.203 nan 8.310 nan 0.000 0.673 85 F N 2.685 122.684 119.950 0.081 0.000 2.506 85 F HA 0.704 5.233 4.527 0.002 0.000 0.351 85 F C -0.518 175.346 175.800 0.108 0.000 1.136 85 F CA -1.190 56.870 58.000 0.100 0.000 1.298 85 F CB 0.380 39.460 39.000 0.134 0.000 1.145 85 F HN 0.067 nan 8.300 nan 0.000 0.593 86 V N 4.418 124.538 119.914 0.344 0.000 2.538 86 V HA 0.287 4.409 4.120 0.002 0.000 0.265 86 V C -2.340 173.916 176.094 0.270 0.000 0.977 86 V CA -1.106 61.336 62.300 0.237 0.000 0.852 86 V CB 0.936 32.814 31.823 0.091 0.000 1.058 86 V HN 0.783 nan 8.190 nan 0.000 0.462 87 P HA 0.370 nan 4.420 nan 0.000 0.290 87 P C -1.187 176.254 177.300 0.235 0.000 1.276 87 P CA -0.125 63.148 63.100 0.289 0.000 0.808 87 P CB 2.000 33.930 31.700 0.385 0.000 0.966 88 D N 2.047 122.569 120.400 0.203 0.000 2.317 88 D HA 0.015 4.657 4.640 0.002 0.000 0.234 88 D C 1.319 177.746 176.300 0.212 0.000 1.112 88 D CA -0.383 53.727 54.000 0.183 0.000 0.840 88 D CB 0.964 41.850 40.800 0.142 0.000 1.078 88 D HN 0.481 nan 8.370 nan 0.000 0.486 89 E N 1.628 121.978 120.200 0.250 0.000 2.130 89 E HA -0.285 4.066 4.350 0.002 0.000 0.196 89 E C 1.150 177.865 176.600 0.192 0.000 0.998 89 E CA 1.722 58.289 56.400 0.278 0.000 0.806 89 E CB -0.468 29.426 29.700 0.323 0.000 0.738 89 E HN 0.486 nan 8.360 nan 0.000 0.459 90 T N -0.984 113.664 114.554 0.158 0.000 3.098 90 T HA -0.058 4.293 4.350 0.002 0.000 0.266 90 T C 1.486 176.248 174.700 0.102 0.000 1.145 90 T CA 1.218 63.388 62.100 0.118 0.000 1.092 90 T CB -0.101 68.826 68.868 0.098 0.000 0.908 90 T HN 0.475 nan 8.240 nan 0.000 0.526 91 K N -0.834 119.633 120.400 0.112 0.000 2.590 91 K HA 0.170 4.491 4.320 0.002 0.000 0.218 91 K C 0.050 176.704 176.600 0.090 0.000 1.536 91 K CA -0.092 56.251 56.287 0.093 0.000 1.013 91 K CB 0.496 33.050 32.500 0.090 0.000 1.265 91 K HN 0.135 nan 8.250 nan 0.000 0.603 92 D N 1.732 122.203 120.400 0.118 0.000 2.402 92 D HA 0.271 4.913 4.640 0.002 0.000 0.216 92 D C -0.202 176.147 176.300 0.081 0.000 1.128 92 D CA 0.099 54.164 54.000 0.109 0.000 0.833 92 D CB 1.350 42.245 40.800 0.157 0.000 0.971 92 D HN 0.322 nan 8.370 nan 0.000 0.503 93 A N 0.499 123.363 122.820 0.074 0.000 2.539 93 A HA 0.577 4.898 4.320 0.002 0.000 0.296 93 A C -0.957 176.633 177.584 0.010 0.000 1.073 93 A CA -0.606 51.438 52.037 0.012 0.000 0.700 93 A CB 1.689 20.726 19.000 0.062 0.000 1.296 93 A HN -0.048 nan 8.150 nan 0.000 0.405 94 I N 1.623 122.176 120.570 -0.027 0.000 2.342 94 I HA 0.386 4.557 4.170 0.002 0.000 0.291 94 I C 0.681 176.798 176.117 0.001 0.000 1.010 94 I CA 0.117 61.409 61.300 -0.013 0.000 1.308 94 I CB 1.026 39.007 38.000 -0.031 0.000 1.400 94 I HN 0.546 nan 8.210 nan 0.000 0.488 95 S N 6.777 122.489 115.700 0.020 0.000 2.475 95 S HA 0.530 5.002 4.470 0.002 0.000 0.298 95 S C -0.454 174.162 174.600 0.027 0.000 1.119 95 S CA -0.690 57.529 58.200 0.033 0.000 1.085 95 S CB 0.754 63.983 63.200 0.049 0.000 1.028 95 S HN 0.378 nan 8.310 nan 0.000 0.489 96 K N 2.960 123.380 120.400 0.033 0.000 2.376 96 K HA 0.516 4.837 4.320 0.002 0.000 0.257 96 K C -1.184 175.451 176.600 0.057 0.000 0.939 96 K CA -0.590 55.718 56.287 0.035 0.000 0.809 96 K CB 1.701 34.217 32.500 0.026 0.000 1.121 96 K HN 0.438 nan 8.250 nan 0.000 0.425 97 V N 2.376 122.328 119.914 0.064 0.000 2.715 97 V HA 0.590 4.711 4.120 0.002 0.000 0.310 97 V C -1.152 175.010 176.094 0.113 0.000 1.054 97 V CA -0.401 61.959 62.300 0.101 0.000 0.928 97 V CB 1.738 33.618 31.823 0.096 0.000 1.007 97 V HN 0.925 nan 8.190 nan 0.000 0.437 98 E N 4.468 124.758 120.200 0.149 0.000 2.375 98 E HA 0.499 4.851 4.350 0.002 0.000 0.280 98 E C -1.770 174.881 176.600 0.085 0.000 0.972 98 E CA -1.073 55.392 56.400 0.108 0.000 0.782 98 E CB 1.828 31.580 29.700 0.086 0.000 1.229 98 E HN 0.531 nan 8.360 nan 0.000 0.439 99 K N 1.566 121.945 120.400 -0.036 0.000 2.098 99 K HA 0.306 4.627 4.320 0.002 0.000 0.257 99 K C 0.428 177.016 176.600 -0.020 0.000 0.999 99 K CA -0.548 55.587 56.287 -0.253 0.000 0.924 99 K CB 0.765 33.034 32.500 -0.386 0.000 1.028 99 K HN 0.477 nan 8.250 nan 0.000 0.466 100 F N 0.694 120.582 119.950 -0.104 0.000 2.095 100 F HA -0.225 4.304 4.527 0.002 0.000 0.298 100 F C 1.656 177.422 175.800 -0.057 0.000 1.104 100 F CA 0.785 58.754 58.000 -0.052 0.000 1.232 100 F CB 0.035 39.007 39.000 -0.046 0.000 0.987 100 F HN 0.617 nan 8.300 nan 0.000 0.475 101 T N -4.465 110.152 114.554 0.106 0.000 2.787 101 T HA 0.207 4.558 4.350 0.002 0.000 0.297 101 T C -0.219 174.454 174.700 -0.045 0.000 1.221 101 T CA -0.851 61.265 62.100 0.026 0.000 1.006 101 T CB 1.713 70.594 68.868 0.023 0.000 1.328 101 T HN -0.232 nan 8.240 nan 0.000 0.509 102 D N 0.129 120.498 120.400 -0.051 0.000 2.363 102 D HA 0.130 4.771 4.640 0.002 0.000 0.226 102 D C 0.649 176.881 176.300 -0.112 0.000 1.020 102 D CA 0.741 54.703 54.000 -0.064 0.000 0.892 102 D CB 0.128 40.911 40.800 -0.030 0.000 0.900 102 D HN 0.514 nan 8.370 nan 0.000 0.531 103 K N -0.170 120.155 120.400 -0.126 0.000 2.934 103 K HA 0.196 4.518 4.320 0.002 0.000 0.210 103 K C -0.576 175.998 176.600 -0.044 0.000 1.122 103 K CA -0.192 56.017 56.287 -0.130 0.000 1.033 103 K CB 0.964 33.345 32.500 -0.199 0.000 0.779 103 K HN -0.050 nan 8.250 nan 0.000 0.459 104 S N -0.847 114.775 115.700 -0.131 0.000 2.543 104 S HA 0.356 4.827 4.470 0.002 0.000 0.273 104 S C -0.285 174.049 174.600 -0.442 0.000 1.152 104 S CA -0.925 57.171 58.200 -0.172 0.000 0.910 104 S CB 0.930 64.174 63.200 0.073 0.000 1.105 104 S HN 0.158 nan 8.310 nan 0.000 0.465 105 L N 2.368 123.151 121.223 -0.733 0.000 2.998 105 L HA 0.406 4.748 4.340 0.002 0.000 0.234 105 L C 0.917 177.664 176.870 -0.205 0.000 1.350 105 L CA -0.280 54.189 54.840 -0.617 0.000 1.202 105 L CB -0.514 41.124 42.059 -0.701 0.000 1.583 105 L HN 0.931 nan 8.230 nan 0.000 0.456 106 G N -0.698 107.827 108.800 -0.459 0.000 2.388 106 G HA2 0.558 4.519 3.960 0.002 0.000 0.330 106 G HA3 0.558 4.519 3.960 0.002 0.000 0.330 106 G C -1.478 172.504 174.900 -1.531 0.000 1.142 106 G CA -0.204 44.390 45.100 -0.844 0.000 0.908 106 G HN 0.059 nan 8.290 nan 0.000 0.473 107 Y N -0.066 119.670 120.300 -0.939 0.000 2.536 107 Y HA 0.582 5.134 4.550 0.002 0.000 0.347 107 Y C 0.307 176.157 175.900 -0.084 0.000 1.000 107 Y CA -0.977 56.869 58.100 -0.424 0.000 1.051 107 Y CB 2.883 41.296 38.460 -0.079 0.000 1.259 107 Y HN 0.447 nan 8.280 nan 0.000 0.468 108 K N 3.113 123.673 120.400 0.266 0.000 2.376 108 K HA 0.678 4.999 4.320 0.002 0.000 0.257 108 K C -2.015 174.711 176.600 0.209 0.000 0.939 108 K CA -0.428 56.046 56.287 0.311 0.000 0.809 108 K CB 0.983 33.674 32.500 0.318 0.000 1.121 108 K HN 0.734 nan 8.250 nan 0.000 0.425 109 L N 4.051 125.377 121.223 0.171 0.000 2.365 109 L HA 0.515 4.857 4.340 0.002 0.000 0.273 109 L C -0.998 175.930 176.870 0.097 0.000 1.000 109 L CA -1.234 53.681 54.840 0.124 0.000 0.819 109 L CB 2.190 44.320 42.059 0.118 0.000 1.284 109 L HN 0.341 nan 8.230 nan 0.000 0.418 110 V N 2.633 122.589 119.914 0.071 0.000 2.349 110 V HA 0.371 4.492 4.120 0.002 0.000 0.284 110 V C -0.639 175.473 176.094 0.032 0.000 1.014 110 V CA -0.757 61.567 62.300 0.041 0.000 0.826 110 V CB 1.445 33.282 31.823 0.022 0.000 1.009 110 V HN 0.641 nan 8.190 nan 0.000 0.431 111 N N 2.847 121.571 118.700 0.041 0.000 2.444 111 N HA 0.433 5.174 4.740 0.002 0.000 0.262 111 N C -0.250 175.238 175.510 -0.036 0.000 0.974 111 N CA -0.276 52.798 53.050 0.040 0.000 0.933 111 N CB 1.885 40.446 38.487 0.124 0.000 1.137 111 N HN 0.527 nan 8.380 nan 0.000 0.498 112 T N 0.644 115.139 114.554 -0.100 0.000 2.756 112 T HA 0.079 4.431 4.350 0.002 0.000 0.290 112 T C -0.061 174.445 174.700 -0.324 0.000 0.985 112 T CA -0.562 61.407 62.100 -0.219 0.000 0.955 112 T CB 0.912 69.686 68.868 -0.158 0.000 0.930 112 T HN 0.336 nan 8.240 nan 0.000 0.451 113 D N 2.511 122.502 120.400 -0.681 0.000 2.648 113 D HA -0.058 4.583 4.640 0.002 0.000 0.229 113 D C 1.168 177.256 176.300 -0.354 0.000 1.119 113 D CA 0.554 54.095 54.000 -0.766 0.000 0.850 113 D CB 0.771 40.750 40.800 -1.369 0.000 1.169 113 D HN 0.390 nan 8.370 nan 0.000 0.489 114 K N 2.354 122.634 120.400 -0.202 0.000 2.281 114 K HA -0.138 4.184 4.320 0.002 0.000 0.203 114 K C 1.146 177.672 176.600 -0.124 0.000 1.046 114 K CA 1.009 57.223 56.287 -0.121 0.000 0.938 114 K CB 0.103 32.568 32.500 -0.059 0.000 0.737 114 K HN 0.426 nan 8.250 nan 0.000 0.458 115 K N -0.285 120.020 120.400 -0.158 0.000 2.387 115 K HA 0.079 4.401 4.320 0.002 0.000 0.198 115 K C 0.484 176.990 176.600 -0.157 0.000 1.022 115 K CA 0.301 56.505 56.287 -0.140 0.000 1.128 115 K CB 0.868 33.278 32.500 -0.151 0.000 0.853 115 K HN 0.233 nan 8.250 nan 0.000 0.523 116 G N 2.408 111.084 108.800 -0.206 0.000 2.305 116 G HA2 -0.327 3.635 3.960 0.002 0.000 0.287 116 G HA3 -0.327 3.635 3.960 0.002 0.000 0.287 116 G C 0.579 175.375 174.900 -0.173 0.000 1.036 116 G CA 0.570 45.553 45.100 -0.195 0.000 0.887 116 G HN 0.399 nan 8.290 nan 0.000 0.505 117 R N -1.451 118.917 120.500 -0.221 0.000 2.175 117 R HA 0.315 4.657 4.340 0.002 0.000 0.202 117 R C 1.054 177.260 176.300 -0.157 0.000 1.018 117 R CA 1.304 57.354 56.100 -0.084 0.000 1.029 117 R CB 0.315 30.614 30.300 -0.003 0.000 0.959 117 R HN 0.780 nan 8.270 nan 0.000 0.480 118 Y N -1.540 118.578 120.300 -0.303 0.000 2.715 118 Y HA 0.642 5.194 4.550 0.003 0.000 0.331 118 Y C -1.104 174.568 175.900 -0.380 0.000 1.197 118 Y CA -1.766 56.039 58.100 -0.492 0.000 1.079 118 Y CB 1.275 39.406 38.460 -0.549 0.000 1.298 118 Y HN -0.320 nan 8.280 nan 0.000 0.477 119 R N 1.806 122.111 120.500 -0.325 0.000 2.535 119 R HA 0.621 4.962 4.340 0.002 0.000 0.274 119 R C -2.416 173.784 176.300 -0.166 0.000 1.090 119 R CA -0.551 55.415 56.100 -0.223 0.000 0.930 119 R CB 1.695 31.861 30.300 -0.223 0.000 1.223 119 R HN 0.938 nan 8.270 nan 0.000 0.441 120 I N 3.108 123.674 120.570 -0.006 0.000 2.436 120 I HA 0.325 4.497 4.170 0.002 0.000 0.289 120 I C -0.423 175.700 176.117 0.010 0.000 1.010 120 I CA -0.764 60.539 61.300 0.004 0.000 1.098 120 I CB 2.486 40.547 38.000 0.102 0.000 1.266 120 I HN 0.512 nan 8.210 nan 0.000 0.434 121 T N 5.971 120.510 114.554 -0.025 0.000 2.797 121 T HA 0.500 4.851 4.350 0.002 0.000 0.279 121 T C -0.456 174.253 174.700 0.015 0.000 0.991 121 T CA -0.822 61.281 62.100 0.005 0.000 0.979 121 T CB 1.510 70.370 68.868 -0.015 0.000 0.943 121 T HN 0.440 nan 8.240 nan 0.000 0.444 122 K N 1.940 122.387 120.400 0.078 0.000 2.385 122 K HA 0.647 4.968 4.320 0.002 0.000 0.248 122 K C -1.505 175.203 176.600 0.181 0.000 0.955 122 K CA -1.074 55.275 56.287 0.103 0.000 0.816 122 K CB 1.651 34.234 32.500 0.138 0.000 1.250 122 K HN 0.362 nan 8.250 nan 0.000 0.434 123 D N 1.804 122.334 120.400 0.218 0.000 2.549 123 D HA 0.421 5.062 4.640 0.002 0.000 0.251 123 D C -1.030 175.503 176.300 0.389 0.000 1.153 123 D CA -0.275 53.993 54.000 0.446 0.000 0.861 123 D CB 1.097 42.182 40.800 0.475 0.000 1.207 123 D HN 0.298 nan 8.370 nan 0.000 0.543 124 I N 3.602 124.383 120.570 0.352 0.000 2.465 124 I HA 0.651 4.823 4.170 0.002 0.000 0.291 124 I C -0.616 175.465 176.117 -0.061 0.000 1.014 124 I CA -0.985 60.304 61.300 -0.020 0.000 1.093 124 I CB 1.016 38.901 38.000 -0.193 0.000 1.267 124 I HN 0.318 nan 8.210 nan 0.000 0.431 125 F N 2.099 121.761 119.950 -0.479 0.000 3.194 125 F HA 0.668 5.197 4.527 0.002 0.000 0.327 125 F C -0.899 174.612 175.800 -0.480 0.000 1.141 125 F CA -0.890 56.701 58.000 -0.683 0.000 0.862 125 F CB 0.949 39.422 39.000 -0.880 0.000 1.447 125 F HN 0.410 nan 8.300 nan 0.000 0.479 126 T N -1.896 112.550 114.554 -0.180 0.000 2.940 126 T HA 0.439 4.790 4.350 0.002 0.000 0.288 126 T C -1.405 173.451 174.700 0.260 0.000 1.045 126 T CA -0.652 61.478 62.100 0.051 0.000 1.018 126 T CB 1.816 70.852 68.868 0.280 0.000 1.151 126 T HN 0.810 nan 8.240 nan 0.000 0.529 127 D N 1.295 121.793 120.400 0.163 0.000 2.336 127 D HA 0.136 4.778 4.640 0.002 0.000 0.249 127 D C 1.736 178.147 176.300 0.185 0.000 1.213 127 D CA -0.583 53.527 54.000 0.184 0.000 0.870 127 D CB 1.263 42.122 40.800 0.098 0.000 1.076 127 D HN 0.507 nan 8.370 nan 0.000 0.483 128 V N 2.657 122.696 119.914 0.207 0.000 2.688 128 V HA -0.164 3.958 4.120 0.002 0.000 0.256 128 V C 1.721 177.844 176.094 0.047 0.000 1.084 128 V CA 1.249 63.614 62.300 0.110 0.000 1.103 128 V CB -0.516 31.346 31.823 0.065 0.000 0.688 128 V HN 0.387 nan 8.190 nan 0.000 0.480 129 K N 0.659 121.096 120.400 0.061 0.000 2.323 129 K HA 0.216 4.537 4.320 0.002 0.000 0.197 129 K C 0.886 177.516 176.600 0.049 0.000 1.043 129 K CA 0.436 56.748 56.287 0.042 0.000 0.997 129 K CB 0.266 32.790 32.500 0.040 0.000 0.807 129 K HN 0.742 nan 8.250 nan 0.000 0.497 130 R N -0.538 120.000 120.500 0.064 0.000 2.795 130 R HA 0.301 4.643 4.340 0.002 0.000 0.268 130 R C -1.074 175.280 176.300 0.091 0.000 1.041 130 R CA -0.929 55.214 56.100 0.072 0.000 0.927 130 R CB 0.289 30.627 30.300 0.063 0.000 1.235 130 R HN -0.239 nan 8.270 nan 0.000 0.463 131 N N 1.466 120.235 118.700 0.114 0.000 2.971 131 N HA 0.056 4.797 4.740 0.002 0.000 0.294 131 N C -0.971 174.650 175.510 0.185 0.000 1.210 131 N CA 0.206 53.347 53.050 0.151 0.000 1.157 131 N CB 0.485 39.081 38.487 0.182 0.000 1.450 131 N HN 0.608 nan 8.380 nan 0.000 0.527 132 S N 0.062 115.852 115.700 0.151 0.000 2.540 132 S HA 0.511 4.982 4.470 0.002 0.000 0.275 132 S C -0.891 173.757 174.600 0.080 0.000 1.123 132 S CA -1.026 57.246 58.200 0.120 0.000 0.907 132 S CB 1.990 65.208 63.200 0.031 0.000 1.081 132 S HN 0.194 nan 8.310 nan 0.000 0.476 133 L N 3.244 124.508 121.223 0.068 0.000 2.295 133 L HA 0.725 5.066 4.340 0.002 0.000 0.285 133 L C -1.186 175.568 176.870 -0.195 0.000 1.035 133 L CA -0.633 54.178 54.840 -0.049 0.000 0.806 133 L CB 0.757 42.846 42.059 0.050 0.000 1.214 133 L HN 0.821 nan 8.230 nan 0.000 0.426 134 I N 5.813 126.139 120.570 -0.407 0.000 2.474 134 I HA 0.502 4.674 4.170 0.002 0.000 0.294 134 I C -0.440 175.422 176.117 -0.425 0.000 1.005 134 I CA -0.455 60.574 61.300 -0.452 0.000 1.113 134 I CB 1.862 39.423 38.000 -0.731 0.000 1.289 134 I HN 0.652 nan 8.210 nan 0.000 0.436 135 M N 6.833 126.309 119.600 -0.207 0.000 2.122 135 M HA 0.368 4.850 4.480 0.002 0.000 0.269 135 M C -1.444 174.820 176.300 -0.060 0.000 0.954 135 M CA -0.609 54.629 55.300 -0.103 0.000 0.998 135 M CB 1.313 33.880 32.600 -0.055 0.000 1.755 135 M HN 0.526 nan 8.290 nan 0.000 0.459 136 K N 3.604 123.982 120.400 -0.036 0.000 2.172 136 K HA 0.817 5.139 4.320 0.002 0.000 0.276 136 K C -1.352 175.118 176.600 -0.218 0.000 1.013 136 K CA -0.154 56.014 56.287 -0.198 0.000 0.913 136 K CB 1.319 33.624 32.500 -0.324 0.000 1.055 136 K HN 0.751 nan 8.250 nan 0.000 0.461 137 A N 3.712 126.241 122.820 -0.485 0.000 2.539 137 A HA 0.599 4.921 4.320 0.002 0.000 0.296 137 A C -1.734 175.439 177.584 -0.684 0.000 1.073 137 A CA -0.989 50.740 52.037 -0.513 0.000 0.700 137 A CB 1.293 20.015 19.000 -0.464 0.000 1.296 137 A HN 0.800 nan 8.150 nan 0.000 0.405 138 K N 0.498 120.684 120.400 -0.357 0.000 2.501 138 K HA 0.692 5.013 4.320 0.002 0.000 0.252 138 K C -1.771 174.797 176.600 -0.052 0.000 0.934 138 K CA -0.452 55.726 56.287 -0.182 0.000 0.797 138 K CB 1.931 34.359 32.500 -0.121 0.000 1.270 138 K HN 0.521 nan 8.250 nan 0.000 0.431 139 F N 2.008 121.906 119.950 -0.088 0.000 2.421 139 F HA 0.395 4.923 4.527 0.002 0.000 0.337 139 F C -0.845 174.933 175.800 -0.037 0.000 1.105 139 F CA -0.256 57.699 58.000 -0.075 0.000 1.049 139 F CB 1.663 40.617 39.000 -0.077 0.000 1.139 139 F HN 0.634 nan 8.300 nan 0.000 0.479 140 E N 4.352 124.093 120.200 -0.765 0.000 2.224 140 E HA 0.536 4.887 4.350 0.002 0.000 0.265 140 E C -1.242 174.961 176.600 -0.662 0.000 0.878 140 E CA -1.201 54.915 56.400 -0.473 0.000 0.759 140 E CB 1.864 31.401 29.700 -0.272 0.000 1.164 140 E HN 0.701 nan 8.360 nan 0.000 0.414 141 A N 4.379 127.059 122.820 -0.233 0.000 2.343 141 A HA 0.230 4.552 4.320 0.002 0.000 0.305 141 A C 0.853 178.421 177.584 -0.026 0.000 1.308 141 A CA -0.252 51.751 52.037 -0.057 0.000 0.949 141 A CB -0.097 19.112 19.000 0.348 0.000 1.148 141 A HN 0.769 nan 8.150 nan 0.000 0.545 142 L N 1.475 122.643 121.223 -0.092 0.000 2.044 142 L HA -0.003 4.338 4.340 0.002 0.000 0.205 142 L C 1.330 178.219 176.870 0.031 0.000 1.075 142 L CA 1.204 56.011 54.840 -0.055 0.000 0.747 142 L CB -0.137 41.854 42.059 -0.114 0.000 0.903 142 L HN 0.909 nan 8.230 nan 0.000 0.435 143 E N -0.322 119.942 120.200 0.106 0.000 2.212 143 E HA 0.518 4.870 4.350 0.002 0.000 0.268 143 E C 0.102 176.858 176.600 0.261 0.000 0.902 143 E CA -0.160 56.328 56.400 0.146 0.000 0.779 143 E CB 2.096 31.868 29.700 0.120 0.000 1.172 143 E HN 0.159 nan 8.360 nan 0.000 0.409 144 G N 1.745 110.654 108.800 0.181 0.000 2.593 144 G HA2 -0.237 3.725 3.960 0.002 0.000 0.237 144 G HA3 -0.237 3.725 3.960 0.002 0.000 0.237 144 G C -0.354 174.670 174.900 0.206 0.000 1.312 144 G CA -0.145 45.057 45.100 0.171 0.000 0.896 144 G HN 0.899 nan 8.290 nan 0.000 0.574 145 S N -1.490 114.322 115.700 0.186 0.000 2.621 145 S HA 0.631 5.102 4.470 0.002 0.000 0.302 145 S C 1.579 176.387 174.600 0.347 0.000 1.093 145 S CA 0.265 58.603 58.200 0.230 0.000 1.017 145 S CB 1.496 64.796 63.200 0.166 0.000 1.077 145 S HN 1.336 nan 8.310 nan 0.000 0.517 146 I N 2.162 122.960 120.570 0.380 0.000 2.361 146 I HA -0.127 4.045 4.170 0.002 0.000 0.251 146 I C 1.275 177.522 176.117 0.217 0.000 1.133 146 I CA 1.587 63.132 61.300 0.409 0.000 1.413 146 I CB -0.166 37.980 38.000 0.244 0.000 1.073 146 I HN 0.828 nan 8.210 nan 0.000 0.424 147 H N 0.667 119.799 119.070 0.104 0.000 2.561 147 H HA -0.067 4.491 4.556 0.003 0.000 0.278 147 H C 1.041 176.344 175.328 -0.041 0.000 1.014 147 H CA 0.971 57.031 56.048 0.020 0.000 1.211 147 H CB -0.293 29.472 29.762 0.004 0.000 1.365 147 H HN 0.400 nan 8.280 nan 0.000 0.594 148 D N -0.543 119.857 120.400 -0.000 0.000 2.339 148 D HA 0.004 4.646 4.640 0.002 0.000 0.217 148 D C -0.444 175.579 176.300 -0.461 0.000 1.050 148 D CA 0.358 54.208 54.000 -0.250 0.000 0.856 148 D CB 0.359 40.938 40.800 -0.369 0.000 0.922 148 D HN 0.329 nan 8.370 nan 0.000 0.518 149 Y N 0.176 120.496 120.300 0.034 0.000 2.570 149 Y HA 0.453 5.004 4.550 0.002 0.000 0.345 149 Y C 0.095 175.861 175.900 -0.223 0.000 1.014 149 Y CA -1.035 57.039 58.100 -0.043 0.000 1.063 149 Y CB 1.426 39.908 38.460 0.036 0.000 1.272 149 Y HN -0.454 nan 8.280 nan 0.000 0.477 150 K N 1.638 121.993 120.400 -0.075 0.000 2.378 150 K HA 0.627 4.948 4.320 0.002 0.000 0.252 150 K C -1.883 174.434 176.600 -0.470 0.000 0.931 150 K CA -0.565 55.541 56.287 -0.300 0.000 0.794 150 K CB 2.093 34.518 32.500 -0.125 0.000 1.181 150 K HN 0.468 nan 8.250 nan 0.000 0.425 151 L N 3.557 124.347 121.223 -0.721 0.000 2.356 151 L HA 0.549 4.890 4.340 0.002 0.000 0.277 151 L C -1.803 174.732 176.870 -0.557 0.000 0.996 151 L CA -0.330 54.181 54.840 -0.549 0.000 0.822 151 L CB 0.678 42.399 42.059 -0.563 0.000 1.256 151 L HN 0.561 nan 8.230 nan 0.000 0.413 152 Y N 4.700 125.052 120.300 0.087 0.000 2.485 152 Y HA 0.654 5.205 4.550 0.002 0.000 0.345 152 Y C -0.725 175.324 175.900 0.249 0.000 0.998 152 Y CA -0.965 57.213 58.100 0.129 0.000 1.059 152 Y CB 1.935 40.425 38.460 0.050 0.000 1.234 152 Y HN 0.488 nan 8.280 nan 0.000 0.461 153 L N 2.736 124.141 121.223 0.302 0.000 2.313 153 L HA 0.882 5.224 4.340 0.002 0.000 0.283 153 L C -0.693 176.189 176.870 0.021 0.000 1.013 153 L CA -0.668 54.224 54.840 0.088 0.000 0.816 153 L CB 1.093 43.196 42.059 0.073 0.000 1.236 153 L HN 0.726 nan 8.230 nan 0.000 0.419 154 A N 4.796 127.607 122.820 -0.015 0.000 2.285 154 A HA 0.473 4.794 4.320 0.002 0.000 0.310 154 A C -1.689 175.902 177.584 0.012 0.000 1.266 154 A CA -0.417 51.619 52.037 -0.001 0.000 0.832 154 A CB 0.201 19.209 19.000 0.013 0.000 1.163 154 A HN 0.640 nan 8.150 nan 0.000 0.499 155 Y N 2.498 122.720 120.300 -0.130 0.000 2.335 155 Y HA 0.529 5.081 4.550 0.002 0.000 0.339 155 Y C -0.753 175.077 175.900 -0.116 0.000 0.987 155 Y CA -1.274 56.749 58.100 -0.130 0.000 1.140 155 Y CB 1.324 39.694 38.460 -0.151 0.000 1.173 155 Y HN 0.591 nan 8.280 nan 0.000 0.486 156 D N 9.400 129.495 120.400 -0.509 0.000 2.472 156 D HA 0.305 4.947 4.640 0.002 0.000 0.234 156 D C -3.018 172.864 176.300 -0.696 0.000 1.088 156 D CA -2.331 51.338 54.000 -0.552 0.000 0.882 156 D CB 1.341 41.913 40.800 -0.381 0.000 1.037 156 D HN 0.300 nan 8.370 nan 0.000 0.520 157 P HA 0.184 nan 4.420 nan 0.000 0.285 157 P C -0.584 176.720 177.300 0.006 0.000 1.259 157 P CA -0.219 62.615 63.100 -0.443 0.000 0.794 157 P CB 0.769 32.212 31.700 -0.428 0.000 0.940 158 H N 2.951 121.945 119.070 -0.128 0.000 2.439 158 H HA 0.311 4.868 4.556 0.002 0.000 0.230 158 H C 0.370 175.746 175.328 0.080 0.000 1.420 158 H CA -0.712 55.281 56.048 -0.092 0.000 1.305 158 H CB 0.225 29.842 29.762 -0.241 0.000 1.667 158 H HN 0.301 nan 8.280 nan 0.000 0.515 159 I N 1.986 122.653 120.570 0.161 0.000 2.752 159 I HA -0.175 3.997 4.170 0.002 0.000 0.289 159 I C 0.703 176.919 176.117 0.164 0.000 1.197 159 I CA 0.614 62.019 61.300 0.174 0.000 1.432 159 I CB 0.259 38.330 38.000 0.118 0.000 1.359 159 I HN 0.460 nan 8.210 nan 0.000 0.571 160 K N 5.064 125.569 120.400 0.176 0.000 3.257 160 K HA -0.253 4.069 4.320 0.002 0.000 0.270 160 K C -0.012 176.684 176.600 0.161 0.000 0.984 160 K CA 0.832 57.201 56.287 0.138 0.000 0.739 160 K CB -1.450 31.111 32.500 0.101 0.000 1.351 160 K HN 0.896 nan 8.250 nan 0.000 0.463 161 N N -0.361 118.479 118.700 0.234 0.000 2.725 161 N HA -0.269 4.473 4.740 0.002 0.000 0.249 161 N C -0.511 175.286 175.510 0.477 0.000 1.103 161 N CA 1.597 54.867 53.050 0.365 0.000 0.707 161 N CB -0.611 37.975 38.487 0.165 0.000 1.043 161 N HN 0.802 nan 8.380 nan 0.000 0.553 162 Q N -2.324 117.646 119.800 0.284 0.000 2.295 162 Q HA 0.558 4.900 4.340 0.002 0.000 0.268 162 Q C 0.398 176.213 176.000 -0.308 0.000 1.010 162 Q CA -0.594 55.223 55.803 0.024 0.000 0.856 162 Q CB 1.491 30.253 28.738 0.041 0.000 1.349 162 Q HN 0.015 nan 8.270 nan 0.000 0.412 163 G N 1.504 109.818 108.800 -0.809 0.000 2.551 163 G HA2 -0.007 3.954 3.960 0.002 0.000 0.216 163 G HA3 -0.007 3.954 3.960 0.002 0.000 0.216 163 G C 0.518 175.115 174.900 -0.505 0.000 1.137 163 G CA 0.539 44.847 45.100 -1.321 0.000 0.798 163 G HN 0.748 nan 8.290 nan 0.000 0.536 164 S N -1.616 113.924 115.700 -0.267 0.000 2.617 164 S HA 0.326 4.797 4.470 0.002 0.000 0.269 164 S C 0.315 174.951 174.600 0.061 0.000 1.292 164 S CA -0.575 57.583 58.200 -0.070 0.000 1.010 164 S CB 0.848 64.034 63.200 -0.023 0.000 0.944 164 S HN 0.732 nan 8.310 nan 0.000 0.536 165 Y N 0.573 120.843 120.300 -0.050 0.000 3.108 165 Y HA -0.226 4.325 4.550 0.002 0.000 0.208 165 Y C -0.479 175.407 175.900 -0.022 0.000 1.245 165 Y CA 0.441 58.528 58.100 -0.022 0.000 1.171 165 Y CB -1.847 36.599 38.460 -0.023 0.000 1.331 165 Y HN 0.784 nan 8.280 nan 0.000 0.534 166 N N 2.272 120.924 118.700 -0.079 0.000 2.422 166 N HA 0.121 4.862 4.740 0.002 0.000 0.266 166 N C -0.320 175.101 175.510 -0.147 0.000 1.007 166 N CA -0.415 52.577 53.050 -0.098 0.000 0.941 166 N CB 1.018 39.453 38.487 -0.087 0.000 1.115 166 N HN 0.475 nan 8.380 nan 0.000 0.492 167 E N 1.445 121.560 120.200 -0.142 0.000 2.152 167 E HA 0.346 4.698 4.350 0.002 0.000 0.285 167 E C -0.388 176.224 176.600 0.020 0.000 1.043 167 E CA -0.691 55.654 56.400 -0.092 0.000 0.839 167 E CB 0.655 30.308 29.700 -0.078 0.000 1.069 167 E HN 0.602 nan 8.360 nan 0.000 0.399 168 G N 3.754 112.558 108.800 0.007 0.000 2.448 168 G HA2 0.574 4.536 3.960 0.002 0.000 0.324 168 G HA3 0.574 4.536 3.960 0.002 0.000 0.324 168 G C -1.484 173.470 174.900 0.090 0.000 1.203 168 G CA -0.495 44.584 45.100 -0.035 0.000 0.954 168 G HN 0.587 nan 8.290 nan 0.000 0.480 169 Y N -1.523 118.690 120.300 -0.146 0.000 2.788 169 Y HA 0.718 5.269 4.550 0.002 0.000 0.335 169 Y C -1.258 174.475 175.900 -0.277 0.000 1.287 169 Y CA -1.598 56.383 58.100 -0.198 0.000 1.068 169 Y CB 1.097 39.447 38.460 -0.182 0.000 1.340 169 Y HN 0.501 nan 8.280 nan 0.000 0.449 170 V N 2.879 122.611 119.914 -0.304 0.000 2.735 170 V HA 0.708 4.830 4.120 0.002 0.000 0.310 170 V C -0.088 175.640 176.094 -0.611 0.000 1.061 170 V CA -0.611 61.367 62.300 -0.536 0.000 0.913 170 V CB 1.455 32.828 31.823 -0.750 0.000 1.005 170 V HN 0.883 nan 8.190 nan 0.000 0.428 171 I N 0.420 120.812 120.570 -0.297 0.000 3.457 171 I HA 0.775 4.946 4.170 0.002 0.000 0.307 171 I C -0.914 175.284 176.117 0.135 0.000 1.138 171 I CA -1.164 60.088 61.300 -0.080 0.000 0.974 171 I CB 2.512 40.520 38.000 0.013 0.000 1.324 171 I HN 0.531 nan 8.210 nan 0.000 0.485 172 K N 1.494 122.005 120.400 0.185 0.000 2.601 172 K HA 0.744 5.066 4.320 0.002 0.000 0.249 172 K C -1.653 175.006 176.600 0.098 0.000 0.966 172 K CA -0.566 55.822 56.287 0.168 0.000 0.827 172 K CB 1.996 34.622 32.500 0.211 0.000 1.178 172 K HN 0.869 nan 8.250 nan 0.000 0.437 173 A N 3.942 126.801 122.820 0.064 0.000 2.267 173 A HA 0.398 4.719 4.320 0.002 0.000 0.315 173 A C -0.519 177.083 177.584 0.029 0.000 1.297 173 A CA -0.465 51.595 52.037 0.038 0.000 0.865 173 A CB 0.167 19.179 19.000 0.020 0.000 1.165 173 A HN 0.943 nan 8.150 nan 0.000 0.513 174 N N 2.717 121.433 118.700 0.027 0.000 2.705 174 N HA -0.186 4.555 4.740 0.002 0.000 0.255 174 N C -0.005 175.515 175.510 0.017 0.000 1.008 174 N CA 1.353 54.413 53.050 0.018 0.000 0.742 174 N CB -1.163 37.330 38.487 0.010 0.000 0.906 174 N HN 0.773 nan 8.380 nan 0.000 0.541 175 N N -2.333 116.383 118.700 0.027 0.000 2.741 175 N HA -0.226 4.515 4.740 0.002 0.000 0.250 175 N C -1.058 174.467 175.510 0.024 0.000 1.115 175 N CA 0.760 53.825 53.050 0.024 0.000 0.724 175 N CB -1.035 37.458 38.487 0.009 0.000 1.090 175 N HN 0.589 nan 8.380 nan 0.000 0.558 176 N N 1.177 119.897 118.700 0.034 0.000 2.443 176 N HA 0.149 4.891 4.740 0.002 0.000 0.269 176 N C -0.694 174.863 175.510 0.078 0.000 0.985 176 N CA -0.171 52.895 53.050 0.027 0.000 0.921 176 N CB 1.010 39.499 38.487 0.002 0.000 1.195 176 N HN 0.126 nan 8.380 nan 0.000 0.492 177 E N 2.866 123.141 120.200 0.125 0.000 2.166 177 E HA 0.189 4.540 4.350 0.002 0.000 0.279 177 E C -0.246 176.531 176.600 0.296 0.000 1.095 177 E CA 0.293 56.831 56.400 0.231 0.000 0.888 177 E CB 0.919 30.844 29.700 0.374 0.000 1.041 177 E HN 0.348 nan 8.360 nan 0.000 0.414 178 M N 3.390 123.078 119.600 0.146 0.000 2.321 178 M HA 0.279 4.760 4.480 0.002 0.000 0.315 178 M C -1.043 175.200 176.300 -0.096 0.000 1.052 178 M CA -1.181 54.178 55.300 0.099 0.000 0.936 178 M CB 1.453 34.062 32.600 0.015 0.000 1.639 178 M HN 0.186 nan 8.290 nan 0.000 0.433 179 L N 4.490 125.620 121.223 -0.155 0.000 2.281 179 L HA 0.393 4.735 4.340 0.002 0.000 0.285 179 L C -0.217 176.469 176.870 -0.307 0.000 1.074 179 L CA 0.457 55.117 54.840 -0.300 0.000 0.817 179 L CB 0.421 42.286 42.059 -0.324 0.000 1.168 179 L HN 0.606 nan 8.230 nan 0.000 0.434 180 M N 3.040 122.351 119.600 -0.482 0.000 2.478 180 M HA 0.801 5.283 4.480 0.002 0.000 0.327 180 M C -0.173 175.778 176.300 -0.582 0.000 1.187 180 M CA -0.637 54.297 55.300 -0.611 0.000 1.022 180 M CB 1.648 33.613 32.600 -1.059 0.000 1.629 180 M HN 0.591 nan 8.290 nan 0.000 0.461 181 A N 2.336 124.966 122.820 -0.318 0.000 2.520 181 A HA 0.857 5.179 4.320 0.002 0.000 0.298 181 A C -1.098 176.443 177.584 -0.072 0.000 1.051 181 A CA -0.768 51.181 52.037 -0.146 0.000 0.690 181 A CB 1.868 20.857 19.000 -0.017 0.000 1.281 181 A HN 0.844 nan 8.150 nan 0.000 0.402 182 K N 0.542 120.900 120.400 -0.069 0.000 2.555 182 K HA 0.866 5.187 4.320 0.002 0.000 0.279 182 K C -0.985 175.514 176.600 -0.168 0.000 0.986 182 K CA -0.760 55.382 56.287 -0.242 0.000 0.880 182 K CB 1.761 33.935 32.500 -0.543 0.000 1.474 182 K HN 0.686 nan 8.250 nan 0.000 0.433 183 R N 1.801 122.183 120.500 -0.196 0.000 2.725 183 R HA 0.158 4.500 4.340 0.002 0.000 0.276 183 R C -1.151 175.116 176.300 -0.055 0.000 1.189 183 R CA -0.097 55.966 56.100 -0.062 0.000 1.083 183 R CB 0.646 30.957 30.300 0.018 0.000 1.262 183 R HN 0.981 nan 8.270 nan 0.000 0.415 184 D N 1.454 121.839 120.400 -0.024 0.000 3.639 184 D HA -0.286 4.356 4.640 0.002 0.000 0.162 184 D C 0.442 176.751 176.300 0.014 0.000 1.054 184 D CA 1.762 55.772 54.000 0.016 0.000 1.085 184 D CB -0.571 40.254 40.800 0.041 0.000 0.547 184 D HN 0.824 nan 8.370 nan 0.000 0.595 185 N N 0.989 119.742 118.700 0.088 0.000 2.314 185 N HA 0.072 4.814 4.740 0.002 0.000 0.200 185 N C -0.040 175.637 175.510 0.278 0.000 1.135 185 N CA 0.222 53.392 53.050 0.200 0.000 0.835 185 N CB 0.469 39.059 38.487 0.172 0.000 0.989 185 N HN 0.142 nan 8.380 nan 0.000 0.478 186 V N 1.632 121.637 119.914 0.151 0.000 2.384 186 V HA 0.362 4.484 4.120 0.002 0.000 0.287 186 V C -1.007 175.155 176.094 0.114 0.000 1.020 186 V CA -0.705 61.767 62.300 0.286 0.000 0.850 186 V CB 0.362 32.369 31.823 0.306 0.000 0.987 186 V HN 0.063 nan 8.190 nan 0.000 0.436 187 Y N 2.173 122.604 120.300 0.217 0.000 2.485 187 Y HA 0.694 5.246 4.550 0.003 0.000 0.345 187 Y C 0.598 176.489 175.900 -0.016 0.000 0.998 187 Y CA -0.796 57.364 58.100 0.101 0.000 1.059 187 Y CB 2.505 41.013 38.460 0.079 0.000 1.234 187 Y HN 0.666 nan 8.280 nan 0.000 0.461 188 T N -0.476 114.088 114.554 0.017 0.000 2.893 188 T HA 0.904 5.256 4.350 0.002 0.000 0.291 188 T C -0.987 173.562 174.700 -0.252 0.000 1.028 188 T CA -0.938 60.990 62.100 -0.288 0.000 0.995 188 T CB 1.755 70.442 68.868 -0.301 0.000 1.051 188 T HN 0.846 nan 8.240 nan 0.000 0.470 189 A N 3.330 125.941 122.820 -0.349 0.000 2.353 189 A HA 0.707 5.028 4.320 0.002 0.000 0.299 189 A C -0.796 176.616 177.584 -0.287 0.000 1.089 189 A CA -0.839 51.044 52.037 -0.256 0.000 0.736 189 A CB 1.029 19.927 19.000 -0.170 0.000 1.195 189 A HN 1.017 nan 8.150 nan 0.000 0.447 190 L N 3.360 124.432 121.223 -0.250 0.000 2.282 190 L HA 0.695 5.036 4.340 0.002 0.000 0.288 190 L C 0.129 177.079 176.870 0.135 0.000 1.033 190 L CA -0.098 54.633 54.840 -0.182 0.000 0.807 190 L CB 1.495 43.358 42.059 -0.328 0.000 1.209 190 L HN 0.922 nan 8.230 nan 0.000 0.423 191 S N 2.390 118.195 115.700 0.175 0.000 2.661 191 S HA 0.678 5.150 4.470 0.002 0.000 0.285 191 S C -0.829 173.726 174.600 -0.074 0.000 1.138 191 S CA -0.716 57.583 58.200 0.165 0.000 0.855 191 S CB 2.053 65.256 63.200 0.006 0.000 1.136 191 S HN 0.532 nan 8.310 nan 0.000 0.484 192 S N 0.334 115.740 115.700 -0.491 0.000 2.538 192 S HA 0.368 4.840 4.470 0.002 0.000 0.288 192 S C 0.842 175.215 174.600 -0.379 0.000 1.108 192 S CA -0.642 57.174 58.200 -0.640 0.000 0.971 192 S CB 1.040 63.368 63.200 -1.453 0.000 1.041 192 S HN 0.852 nan 8.310 nan 0.000 0.483 193 N N 4.267 122.845 118.700 -0.204 0.000 2.381 193 N HA -0.100 4.641 4.740 0.002 0.000 0.182 193 N C 1.261 176.680 175.510 -0.151 0.000 1.025 193 N CA 1.564 54.536 53.050 -0.130 0.000 0.888 193 N CB -0.508 37.942 38.487 -0.061 0.000 0.965 193 N HN 0.816 nan 8.380 nan 0.000 0.438 194 I N -4.869 115.576 120.570 -0.209 0.000 4.025 194 I HA 0.489 4.661 4.170 0.002 0.000 0.336 194 I C 0.843 176.784 176.117 -0.293 0.000 1.390 194 I CA -0.261 60.919 61.300 -0.200 0.000 1.099 194 I CB 0.287 38.191 38.000 -0.159 0.000 1.049 194 I HN 0.117 nan 8.210 nan 0.000 0.394 195 G N 1.626 110.149 108.800 -0.462 0.000 2.698 195 G HA2 -0.270 3.692 3.960 0.002 0.000 0.233 195 G HA3 -0.270 3.692 3.960 0.002 0.000 0.233 195 G C -1.057 173.416 174.900 -0.713 0.000 1.352 195 G CA -0.117 44.631 45.100 -0.586 0.000 0.879 195 G HN 0.490 nan 8.290 nan 0.000 0.567 196 W N -0.831 120.467 121.300 -0.003 0.000 2.689 196 W HA 0.742 5.404 4.660 0.002 0.000 0.340 196 W C 1.051 177.552 176.519 -0.029 0.000 1.060 196 W CA -0.787 56.554 57.345 -0.006 0.000 1.218 196 W CB 2.025 31.542 29.460 0.096 0.000 1.410 196 W HN 0.699 nan 8.180 nan 0.000 0.528 197 K N 1.058 121.560 120.400 0.171 0.000 2.418 197 K HA 0.359 4.680 4.320 0.002 0.000 0.195 197 K C 0.360 176.980 176.600 0.032 0.000 1.035 197 K CA 0.686 56.997 56.287 0.040 0.000 1.003 197 K CB -0.035 32.445 32.500 -0.033 0.000 0.793 197 K HN 0.686 nan 8.250 nan 0.000 0.494 198 G N 0.075 108.943 108.800 0.113 0.000 2.384 198 G HA2 0.288 4.249 3.960 0.002 0.000 0.300 198 G HA3 0.288 4.249 3.960 0.002 0.000 0.300 198 G C -2.019 172.935 174.900 0.089 0.000 1.582 198 G CA -0.850 44.235 45.100 -0.026 0.000 0.875 198 G HN 0.146 nan 8.290 nan 0.000 0.628 199 Y N -1.513 118.874 120.300 0.145 0.000 2.638 199 Y HA 0.908 5.459 4.550 0.003 0.000 0.339 199 Y C -0.211 175.747 175.900 0.096 0.000 1.084 199 Y CA -1.730 56.379 58.100 0.016 0.000 1.068 199 Y CB 1.918 40.303 38.460 -0.126 0.000 1.294 199 Y HN 1.194 nan 8.280 nan 0.000 0.480 200 S N 1.088 116.936 115.700 0.247 0.000 2.586 200 S HA 0.584 5.056 4.470 0.002 0.000 0.296 200 S C -1.999 172.648 174.600 0.079 0.000 1.120 200 S CA -0.633 57.655 58.200 0.147 0.000 0.927 200 S CB 0.366 63.528 63.200 -0.063 0.000 1.114 200 S HN 0.714 nan 8.310 nan 0.000 0.453 201 I N 4.467 125.099 120.570 0.104 0.000 2.371 201 I HA 0.547 4.718 4.170 0.002 0.000 0.282 201 I C 0.850 176.933 176.117 -0.058 0.000 1.031 201 I CA -0.409 60.881 61.300 -0.018 0.000 1.180 201 I CB 1.231 39.190 38.000 -0.069 0.000 1.336 201 I HN 0.661 nan 8.210 nan 0.000 0.467 202 G N 4.417 113.164 108.800 -0.088 0.000 2.735 202 G HA2 0.580 4.542 3.960 0.002 0.000 0.301 202 G HA3 0.580 4.542 3.960 0.002 0.000 0.301 202 G C -1.514 173.213 174.900 -0.289 0.000 1.279 202 G CA -0.453 44.551 45.100 -0.161 0.000 1.019 202 G HN 0.256 nan 8.290 nan 0.000 0.497 203 Y N -0.483 119.821 120.300 0.007 0.000 2.313 203 Y HA 0.286 4.838 4.550 0.002 0.000 0.332 203 Y C 0.200 176.140 175.900 0.066 0.000 1.071 203 Y CA -0.668 57.441 58.100 0.014 0.000 1.169 203 Y CB 0.992 39.436 38.460 -0.027 0.000 1.192 203 Y HN 0.470 nan 8.280 nan 0.000 0.487 204 Y N 4.661 125.029 120.300 0.115 0.000 2.802 204 Y HA -0.074 4.478 4.550 0.003 0.000 0.333 204 Y C 0.898 176.827 175.900 0.048 0.000 1.244 204 Y CA 0.034 58.163 58.100 0.049 0.000 1.558 204 Y CB -0.043 38.433 38.460 0.026 0.000 1.233 204 Y HN 0.815 nan 8.280 nan 0.000 0.547 205 K N 1.944 122.112 120.400 -0.386 0.000 3.407 205 K HA -0.231 4.091 4.320 0.002 0.000 0.312 205 K C 0.322 176.831 176.600 -0.153 0.000 1.302 205 K CA 0.805 56.857 56.287 -0.392 0.000 0.931 205 K CB -1.796 30.333 32.500 -0.617 0.000 1.257 205 K HN 0.494 nan 8.250 nan 0.000 0.454 206 V N -0.180 119.710 119.914 -0.040 0.000 3.240 206 V HA -0.003 4.118 4.120 0.002 0.000 0.218 206 V C 0.642 176.763 176.094 0.046 0.000 1.190 206 V CA 1.276 63.585 62.300 0.015 0.000 1.280 206 V CB 0.256 32.123 31.823 0.073 0.000 1.244 206 V HN 0.481 nan 8.190 nan 0.000 0.512 207 N N 0.558 119.316 118.700 0.097 0.000 2.466 207 N HA 0.094 4.836 4.740 0.002 0.000 0.272 207 N C -0.591 174.981 175.510 0.102 0.000 1.455 207 N CA -0.447 52.674 53.050 0.117 0.000 0.875 207 N CB -0.274 38.351 38.487 0.229 0.000 1.372 207 N HN 0.549 nan 8.380 nan 0.000 0.492 208 D N -0.338 120.098 120.400 0.060 0.000 2.377 208 D HA 0.002 4.644 4.640 0.002 0.000 0.245 208 D C 1.239 177.534 176.300 -0.008 0.000 1.196 208 D CA -0.718 53.306 54.000 0.040 0.000 0.962 208 D CB 1.414 42.265 40.800 0.084 0.000 1.127 208 D HN -0.179 nan 8.370 nan 0.000 0.471 209 I N 0.148 120.699 120.570 -0.031 0.000 2.194 209 I HA -0.289 3.883 4.170 0.002 0.000 0.246 209 I C 2.162 178.217 176.117 -0.104 0.000 1.093 209 I CA 1.498 62.743 61.300 -0.090 0.000 1.355 209 I CB -0.523 37.435 38.000 -0.070 0.000 1.046 209 I HN 0.440 nan 8.210 nan 0.000 0.413 210 M N 0.299 119.877 119.600 -0.037 0.000 2.117 210 M HA -0.186 4.296 4.480 0.002 0.000 0.262 210 M C 2.096 178.372 176.300 -0.041 0.000 1.065 210 M CA 2.145 57.431 55.300 -0.023 0.000 1.114 210 M CB -0.770 31.854 32.600 0.041 0.000 1.361 210 M HN 0.132 nan 8.290 nan 0.000 0.408 211 T N -0.144 114.389 114.554 -0.035 0.000 2.821 211 T HA -0.132 4.219 4.350 0.002 0.000 0.267 211 T C 1.520 176.182 174.700 -0.063 0.000 1.046 211 T CA 1.526 63.600 62.100 -0.043 0.000 1.139 211 T CB -0.498 68.349 68.868 -0.036 0.000 0.871 211 T HN 0.451 nan 8.240 nan 0.000 0.454 212 D N 1.217 121.566 120.400 -0.086 0.000 2.149 212 D HA -0.055 4.587 4.640 0.002 0.000 0.198 212 D C 1.960 178.170 176.300 -0.150 0.000 0.990 212 D CA 0.894 54.821 54.000 -0.122 0.000 0.839 212 D CB -0.270 40.430 40.800 -0.167 0.000 0.948 212 D HN 0.328 nan 8.370 nan 0.000 0.460 213 L N 0.079 121.194 121.223 -0.180 0.000 2.179 213 L HA -0.077 4.265 4.340 0.002 0.000 0.208 213 L C 1.857 178.663 176.870 -0.106 0.000 1.096 213 L CA 0.775 55.498 54.840 -0.195 0.000 0.779 213 L CB -0.293 41.614 42.059 -0.255 0.000 0.922 213 L HN -0.089 nan 8.230 nan 0.000 0.443 214 D N -0.100 120.257 120.400 -0.071 0.000 2.263 214 D HA -0.201 4.441 4.640 0.002 0.000 0.208 214 D C 1.983 178.261 176.300 -0.036 0.000 0.971 214 D CA 1.061 55.040 54.000 -0.035 0.000 0.867 214 D CB 0.221 41.008 40.800 -0.022 0.000 0.929 214 D HN 0.446 nan 8.370 nan 0.000 0.492 215 E N -0.480 119.689 120.200 -0.052 0.000 2.244 215 E HA 0.014 4.365 4.350 0.002 0.000 0.196 215 E C 1.159 177.727 176.600 -0.053 0.000 0.939 215 E CA 0.222 56.595 56.400 -0.045 0.000 0.884 215 E CB 0.416 30.090 29.700 -0.043 0.000 0.850 215 E HN 0.048 nan 8.360 nan 0.000 0.481 216 N N 0.483 119.138 118.700 -0.075 0.000 2.332 216 N HA 0.054 4.796 4.740 0.002 0.000 0.190 216 N C -0.309 175.147 175.510 -0.089 0.000 1.117 216 N CA 0.265 53.267 53.050 -0.079 0.000 0.883 216 N CB 0.679 39.111 38.487 -0.091 0.000 1.089 216 N HN 0.038 nan 8.380 nan 0.000 0.480 217 K N 1.114 121.447 120.400 -0.112 0.000 3.129 217 K HA -0.225 4.097 4.320 0.002 0.000 0.273 217 K C -0.619 175.910 176.600 -0.118 0.000 1.123 217 K CA 0.663 56.878 56.287 -0.120 0.000 0.800 217 K CB -1.674 30.766 32.500 -0.101 0.000 1.238 217 K HN 0.595 nan 8.250 nan 0.000 0.492 218 Q N -1.619 118.080 119.800 -0.169 0.000 2.686 218 Q HA 0.371 4.712 4.340 0.002 0.000 0.266 218 Q C -0.980 174.906 176.000 -0.190 0.000 0.965 218 Q CA -1.121 54.612 55.803 -0.116 0.000 0.894 218 Q CB 0.765 29.497 28.738 -0.010 0.000 1.583 218 Q HN 0.097 nan 8.270 nan 0.000 0.405 219 M N 2.104 121.610 119.600 -0.156 0.000 2.303 219 M HA 0.105 4.586 4.480 0.002 0.000 0.350 219 M C -0.022 176.132 176.300 -0.244 0.000 1.518 219 M CA 0.689 55.852 55.300 -0.229 0.000 1.070 219 M CB 0.578 33.096 32.600 -0.138 0.000 1.910 219 M HN 0.882 nan 8.290 nan 0.000 0.458 220 T N 1.316 115.683 114.554 -0.311 0.000 3.038 220 T HA 0.121 4.473 4.350 0.002 0.000 0.244 220 T C 0.255 174.717 174.700 -0.397 0.000 1.016 220 T CA 0.485 62.432 62.100 -0.255 0.000 1.098 220 T CB 0.398 69.165 68.868 -0.169 0.000 0.954 220 T HN 0.391 nan 8.240 nan 0.000 0.469 221 K N 1.643 121.720 120.400 -0.538 0.000 2.110 221 K HA 0.434 4.756 4.320 0.002 0.000 0.263 221 K C -0.413 175.636 176.600 -0.919 0.000 0.975 221 K CA -0.438 55.413 56.287 -0.726 0.000 0.895 221 K CB 0.623 32.618 32.500 -0.842 0.000 1.060 221 K HN 0.156 nan 8.250 nan 0.000 0.448 222 H N 2.255 121.022 119.070 -0.506 0.000 2.716 222 H HA 0.135 4.692 4.556 0.002 0.000 0.230 222 H C -0.798 174.464 175.328 -0.110 0.000 1.401 222 H CA -0.517 55.363 56.048 -0.279 0.000 1.168 222 H CB -0.156 29.447 29.762 -0.264 0.000 1.935 222 H HN 0.488 nan 8.280 nan 0.000 0.538 223 Y N 1.764 122.127 120.300 0.104 0.000 2.578 223 Y HA 0.013 4.564 4.550 0.002 0.000 0.339 223 Y C 1.442 177.444 175.900 0.170 0.000 1.231 223 Y CA -0.104 58.056 58.100 0.100 0.000 1.461 223 Y CB 0.645 39.103 38.460 -0.004 0.000 1.323 223 Y HN 0.348 nan 8.280 nan 0.000 0.590 224 D N -1.575 119.020 120.400 0.325 0.000 2.535 224 D HA 0.199 4.840 4.640 0.002 0.000 0.229 224 D C -0.324 176.010 176.300 0.057 0.000 1.238 224 D CA -0.260 53.855 54.000 0.191 0.000 0.824 224 D CB 0.382 41.342 40.800 0.267 0.000 1.045 224 D HN 0.237 nan 8.370 nan 0.000 0.500 225 S N -0.896 114.839 115.700 0.058 0.000 2.542 225 S HA 0.741 5.212 4.470 0.002 0.000 0.276 225 S C -1.931 172.615 174.600 -0.090 0.000 1.148 225 S CA -0.022 58.179 58.200 0.001 0.000 0.886 225 S CB 1.071 64.278 63.200 0.011 0.000 1.109 225 S HN 0.732 nan 8.310 nan 0.000 0.458 226 A N 2.971 125.721 122.820 -0.116 0.000 2.569 226 A HA 0.833 5.155 4.320 0.002 0.000 0.292 226 A C -1.257 176.265 177.584 -0.104 0.000 1.032 226 A CA -0.756 51.146 52.037 -0.224 0.000 0.669 226 A CB 1.393 20.006 19.000 -0.645 0.000 1.290 226 A HN 0.916 nan 8.150 nan 0.000 0.422 227 R N 0.483 121.024 120.500 0.069 0.000 2.510 227 R HA 0.594 4.935 4.340 0.002 0.000 0.287 227 R C 0.159 176.535 176.300 0.126 0.000 1.084 227 R CA 0.641 56.722 56.100 -0.032 0.000 0.934 227 R CB 1.491 31.649 30.300 -0.236 0.000 1.201 227 R HN 2.583 nan 8.270 nan 0.000 0.431 228 G N 2.507 111.336 108.800 0.049 0.000 2.292 228 G HA2 -0.136 3.825 3.960 0.002 0.000 0.194 228 G HA3 -0.136 3.825 3.960 0.002 0.000 0.194 228 G C -1.407 173.546 174.900 0.087 0.000 1.329 228 G CA -0.936 44.231 45.100 0.112 0.000 1.100 228 G HN 0.510 nan 8.290 nan 0.000 0.470 229 N N 1.704 120.476 118.700 0.121 0.000 2.508 229 N HA 0.497 5.238 4.740 0.002 0.000 0.253 229 N C 0.495 176.085 175.510 0.133 0.000 1.145 229 N CA 0.015 53.100 53.050 0.059 0.000 0.973 229 N CB 0.133 38.670 38.487 0.084 0.000 1.305 229 N HN 0.680 nan 8.380 nan 0.000 0.506 230 I N -1.722 118.855 120.570 0.013 0.000 2.947 230 I HA 0.638 4.809 4.170 0.002 0.000 0.314 230 I C -0.505 175.553 176.117 -0.100 0.000 1.028 230 I CA -0.997 60.270 61.300 -0.056 0.000 1.077 230 I CB 1.560 39.465 38.000 -0.158 0.000 1.274 230 I HN 0.072 nan 8.210 nan 0.000 0.485 231 I N 1.900 122.408 120.570 -0.103 0.000 2.500 231 I HA 0.273 4.445 4.170 0.002 0.000 0.286 231 I C -0.850 175.205 176.117 -0.104 0.000 1.063 231 I CA -0.390 60.844 61.300 -0.110 0.000 1.062 231 I CB 1.986 39.971 38.000 -0.024 0.000 1.223 231 I HN 0.639 nan 8.210 nan 0.000 0.435 232 E N 5.402 125.533 120.200 -0.115 0.000 2.001 232 E HA 0.381 4.733 4.350 0.002 0.000 0.279 232 E C 0.179 176.741 176.600 -0.063 0.000 1.045 232 E CA -0.342 56.017 56.400 -0.069 0.000 0.833 232 E CB 1.525 31.230 29.700 0.009 0.000 1.077 232 E HN 0.747 nan 8.360 nan 0.000 0.397 233 G N 1.742 110.500 108.800 -0.070 0.000 2.434 233 G HA2 0.698 4.659 3.960 0.002 0.000 0.330 233 G HA3 0.698 4.659 3.960 0.002 0.000 0.330 233 G C -0.966 173.875 174.900 -0.099 0.000 1.155 233 G CA -0.408 44.656 45.100 -0.060 0.000 0.917 233 G HN 0.516 nan 8.290 nan 0.000 0.493 234 A N 0.554 123.336 122.820 -0.065 0.000 2.589 234 A HA 0.695 5.016 4.320 0.002 0.000 0.296 234 A C -0.827 176.852 177.584 0.157 0.000 1.062 234 A CA -0.640 51.358 52.037 -0.066 0.000 0.686 234 A CB 1.687 20.325 19.000 -0.603 0.000 1.282 234 A HN 0.768 nan 8.150 nan 0.000 0.404 235 E N 1.687 122.003 120.200 0.194 0.000 2.231 235 E HA 0.541 4.892 4.350 0.002 0.000 0.277 235 E C -0.904 175.703 176.600 0.011 0.000 0.999 235 E CA -0.653 55.766 56.400 0.032 0.000 0.827 235 E CB 0.723 30.416 29.700 -0.012 0.000 1.101 235 E HN 0.485 nan 8.360 nan 0.000 0.393 236 I N 3.747 124.208 120.570 -0.181 0.000 2.331 236 I HA 0.088 4.260 4.170 0.002 0.000 0.292 236 I C 0.059 175.978 176.117 -0.330 0.000 0.998 236 I CA -0.468 60.654 61.300 -0.296 0.000 1.267 236 I CB 1.068 38.726 38.000 -0.569 0.000 1.386 236 I HN 0.646 nan 8.210 nan 0.000 0.476 237 D N 7.070 127.310 120.400 -0.268 0.000 2.398 237 D HA 0.082 4.724 4.640 0.002 0.000 0.250 237 D C 1.226 177.383 176.300 -0.238 0.000 1.287 237 D CA 0.042 53.913 54.000 -0.217 0.000 0.992 237 D CB 0.625 41.334 40.800 -0.152 0.000 1.071 237 D HN 0.442 nan 8.370 nan 0.000 0.514 238 L N 2.374 123.439 121.223 -0.262 0.000 2.046 238 L HA -0.193 4.148 4.340 0.002 0.000 0.208 238 L C 2.618 179.374 176.870 -0.190 0.000 1.077 238 L CA 1.522 56.224 54.840 -0.231 0.000 0.747 238 L CB -0.664 41.226 42.059 -0.281 0.000 0.896 238 L HN 0.442 nan 8.230 nan 0.000 0.432 239 T N -2.689 111.742 114.554 -0.206 0.000 2.977 239 T HA -0.249 4.102 4.350 0.002 0.000 0.271 239 T C 1.749 176.402 174.700 -0.078 0.000 1.105 239 T CA 1.430 63.434 62.100 -0.160 0.000 1.116 239 T CB -0.141 68.675 68.868 -0.086 0.000 0.878 239 T HN 0.256 nan 8.240 nan 0.000 0.509 240 K N 0.895 121.241 120.400 -0.090 0.000 2.211 240 K HA 0.136 4.457 4.320 0.002 0.000 0.201 240 K C 0.256 176.828 176.600 -0.046 0.000 1.052 240 K CA 0.304 56.552 56.287 -0.065 0.000 0.973 240 K CB 0.363 32.812 32.500 -0.086 0.000 0.766 240 K HN 0.291 nan 8.250 nan 0.000 0.466 241 N N -0.904 117.768 118.700 -0.047 0.000 4.251 241 N HA -0.055 4.686 4.740 0.002 0.000 0.189 241 N C -0.520 175.025 175.510 0.060 0.000 1.037 241 N CA 0.167 53.221 53.050 0.008 0.000 1.139 241 N CB 1.292 39.793 38.487 0.024 0.000 1.614 241 N HN 0.054 nan 8.380 nan 0.000 0.802 242 S N 1.050 116.800 115.700 0.085 0.000 2.522 242 S HA 0.060 4.531 4.470 0.002 0.000 0.227 242 S C 0.510 175.247 174.600 0.229 0.000 0.986 242 S CA 0.465 58.759 58.200 0.157 0.000 0.929 242 S CB 0.321 63.602 63.200 0.135 0.000 0.769 242 S HN 0.573 nan 8.310 nan 0.000 0.529 243 E N 0.178 120.481 120.200 0.170 0.000 2.199 243 E HA 0.585 4.937 4.350 0.002 0.000 0.265 243 E C -1.075 175.590 176.600 0.109 0.000 0.882 243 E CA -1.039 55.374 56.400 0.023 0.000 0.759 243 E CB 1.098 30.760 29.700 -0.063 0.000 1.148 243 E HN 0.399 nan 8.360 nan 0.000 0.412 244 F N 0.428 120.322 119.950 -0.094 0.000 2.745 244 F HA 0.570 5.098 4.527 0.002 0.000 0.316 244 F C -1.122 174.613 175.800 -0.110 0.000 1.155 244 F CA -1.188 56.748 58.000 -0.107 0.000 0.937 244 F CB 1.028 39.970 39.000 -0.097 0.000 1.361 244 F HN 0.205 nan 8.300 nan 0.000 0.472 245 E N 1.799 122.023 120.200 0.041 0.000 2.191 245 E HA 0.498 4.849 4.350 0.002 0.000 0.263 245 E C -1.244 175.390 176.600 0.058 0.000 0.881 245 E CA -0.807 55.569 56.400 -0.039 0.000 0.757 245 E CB 2.497 32.156 29.700 -0.068 0.000 1.147 245 E HN 0.340 nan 8.360 nan 0.000 0.414 246 I N 3.249 123.861 120.570 0.070 0.000 2.336 246 I HA 0.319 4.491 4.170 0.002 0.000 0.292 246 I C -0.251 175.860 176.117 -0.009 0.000 0.991 246 I CA -0.814 60.541 61.300 0.092 0.000 1.227 246 I CB 1.394 39.511 38.000 0.194 0.000 1.366 246 I HN 0.290 nan 8.210 nan 0.000 0.466 247 V N 7.154 127.052 119.914 -0.026 0.000 2.540 247 V HA 0.435 4.556 4.120 0.002 0.000 0.302 247 V C -0.518 175.508 176.094 -0.114 0.000 1.035 247 V CA -0.764 61.492 62.300 -0.074 0.000 0.873 247 V CB 2.579 34.365 31.823 -0.062 0.000 0.992 247 V HN 0.484 nan 8.190 nan 0.000 0.428 248 L N 4.734 125.862 121.223 -0.158 0.000 2.319 248 L HA 0.752 5.093 4.340 0.002 0.000 0.281 248 L C -0.078 176.622 176.870 -0.283 0.000 1.005 248 L CA 0.625 55.292 54.840 -0.288 0.000 0.828 248 L CB 1.712 43.579 42.059 -0.321 0.000 1.227 248 L HN 0.671 nan 8.230 nan 0.000 0.415 249 S N 3.892 119.366 115.700 -0.376 0.000 2.664 249 S HA 0.769 5.240 4.470 0.002 0.000 0.304 249 S C -0.926 173.317 174.600 -0.594 0.000 1.099 249 S CA -0.310 57.722 58.200 -0.281 0.000 1.003 249 S CB 1.235 64.354 63.200 -0.135 0.000 1.092 249 S HN 0.405 nan 8.310 nan 0.000 0.525 250 F N -0.010 119.771 119.950 -0.282 0.000 2.593 250 F HA 0.824 5.352 4.527 0.002 0.000 0.320 250 F C 0.750 176.333 175.800 -0.362 0.000 1.060 250 F CA -0.467 57.228 58.000 -0.508 0.000 0.940 250 F CB 2.411 40.597 39.000 -1.355 0.000 1.268 250 F HN 0.788 nan 8.300 nan 0.000 0.475 251 G N 0.324 109.138 108.800 0.024 0.000 2.559 251 G HA2 0.270 4.232 3.960 0.002 0.000 0.291 251 G HA3 0.270 4.232 3.960 0.002 0.000 0.291 251 G C -1.380 173.740 174.900 0.366 0.000 1.424 251 G CA -0.648 44.566 45.100 0.190 0.000 0.786 251 G HN 0.571 nan 8.290 nan 0.000 0.485 252 Q N -0.640 119.337 119.800 0.295 0.000 2.246 252 Q HA 0.389 4.730 4.340 0.002 0.000 0.202 252 Q C 0.499 176.585 176.000 0.145 0.000 0.883 252 Q CA 0.587 56.588 55.803 0.329 0.000 0.952 252 Q CB 0.026 28.905 28.738 0.235 0.000 1.078 252 Q HN 0.791 nan 8.270 nan 0.000 0.493 253 S N -2.445 113.119 115.700 -0.228 0.000 2.611 253 S HA 0.195 4.667 4.470 0.002 0.000 0.268 253 S C -0.196 173.915 174.600 -0.815 0.000 1.156 253 S CA -0.786 56.923 58.200 -0.818 0.000 0.817 253 S CB 0.839 63.850 63.200 -0.315 0.000 1.122 253 S HN -0.007 nan 8.310 nan 0.000 0.466 254 D N 1.408 121.339 120.400 -0.782 0.000 2.097 254 D HA -0.059 4.583 4.640 0.002 0.000 0.195 254 D C 1.947 178.158 176.300 -0.148 0.000 0.989 254 D CA 1.964 55.788 54.000 -0.293 0.000 0.827 254 D CB -0.271 40.476 40.800 -0.089 0.000 0.966 254 D HN 0.480 nan 8.370 nan 0.000 0.456 255 S N -0.182 115.437 115.700 -0.135 0.000 2.368 255 S HA -0.176 4.295 4.470 0.002 0.000 0.225 255 S C 1.810 176.376 174.600 -0.056 0.000 1.030 255 S CA 1.358 59.517 58.200 -0.069 0.000 0.999 255 S CB -0.094 63.074 63.200 -0.053 0.000 0.844 255 S HN 0.246 nan 8.310 nan 0.000 0.459 256 E N 0.287 120.446 120.200 -0.068 0.000 2.031 256 E HA -0.123 4.228 4.350 0.002 0.000 0.193 256 E C 2.252 178.839 176.600 -0.021 0.000 0.994 256 E CA 1.022 57.407 56.400 -0.024 0.000 0.800 256 E CB -0.372 29.331 29.700 0.004 0.000 0.752 256 E HN 0.577 nan 8.360 nan 0.000 0.447 257 A N 1.355 124.150 122.820 -0.041 0.000 1.865 257 A HA -0.200 4.122 4.320 0.002 0.000 0.217 257 A C 2.405 179.953 177.584 -0.060 0.000 1.191 257 A CA 2.274 54.280 52.037 -0.052 0.000 0.623 257 A CB -0.939 18.031 19.000 -0.049 0.000 0.826 257 A HN 0.417 nan 8.150 nan 0.000 0.444 258 A N -0.360 122.429 122.820 -0.052 0.000 1.877 258 A HA -0.199 4.123 4.320 0.002 0.000 0.216 258 A C 2.162 179.731 177.584 -0.025 0.000 1.186 258 A CA 2.149 54.163 52.037 -0.039 0.000 0.620 258 A CB -0.537 18.448 19.000 -0.025 0.000 0.822 258 A HN 0.580 nan 8.150 nan 0.000 0.443 259 K N -0.921 119.467 120.400 -0.018 0.000 2.063 259 K HA -0.156 4.165 4.320 0.002 0.000 0.208 259 K C 1.972 178.570 176.600 -0.003 0.000 1.048 259 K CA 1.926 58.209 56.287 -0.007 0.000 0.928 259 K CB -0.348 32.151 32.500 -0.002 0.000 0.713 259 K HN 0.464 nan 8.250 nan 0.000 0.442 260 T N 0.616 115.167 114.554 -0.005 0.000 2.746 260 T HA -0.100 4.251 4.350 0.002 0.000 0.267 260 T C 1.855 176.550 174.700 -0.008 0.000 1.039 260 T CA 1.256 63.359 62.100 0.004 0.000 1.142 260 T CB -0.264 68.610 68.868 0.010 0.000 0.866 260 T HN 0.418 nan 8.240 nan 0.000 0.444 261 A N 1.224 124.027 122.820 -0.029 0.000 1.902 261 A HA 0.040 4.362 4.320 0.002 0.000 0.217 261 A C 2.293 179.865 177.584 -0.021 0.000 1.181 261 A CA 1.108 53.122 52.037 -0.037 0.000 0.623 261 A CB -0.802 18.163 19.000 -0.057 0.000 0.818 261 A HN 0.470 nan 8.150 nan 0.000 0.443 262 L N -0.828 120.386 121.223 -0.015 0.000 2.093 262 L HA -0.194 4.148 4.340 0.002 0.000 0.208 262 L C 2.587 179.458 176.870 0.001 0.000 1.085 262 L CA 1.554 56.389 54.840 -0.008 0.000 0.755 262 L CB -0.566 41.490 42.059 -0.005 0.000 0.904 262 L HN 0.480 nan 8.230 nan 0.000 0.435 263 E N -0.532 119.672 120.200 0.006 0.000 2.072 263 E HA -0.168 4.183 4.350 0.002 0.000 0.191 263 E C 2.120 178.732 176.600 0.020 0.000 0.985 263 E CA 1.699 58.108 56.400 0.014 0.000 0.801 263 E CB -0.080 29.631 29.700 0.019 0.000 0.750 263 E HN 0.407 nan 8.360 nan 0.000 0.452 264 T N 1.588 116.152 114.554 0.018 0.000 2.708 264 T HA -0.121 4.231 4.350 0.002 0.000 0.266 264 T C 1.953 176.670 174.700 0.029 0.000 1.037 264 T CA 0.835 62.950 62.100 0.025 0.000 1.146 264 T CB -0.208 68.667 68.868 0.011 0.000 0.865 264 T HN 0.073 nan 8.240 nan 0.000 0.435 265 L N 0.614 121.844 121.223 0.012 0.000 2.131 265 L HA -0.014 4.328 4.340 0.002 0.000 0.210 265 L C 2.875 179.758 176.870 0.021 0.000 1.092 265 L CA 1.222 56.069 54.840 0.011 0.000 0.759 265 L CB -0.722 41.328 42.059 -0.014 0.000 0.903 265 L HN 0.357 nan 8.230 nan 0.000 0.435 266 G N -0.915 107.896 108.800 0.018 0.000 2.534 266 G HA2 -0.155 3.807 3.960 0.002 0.000 0.217 266 G HA3 -0.155 3.807 3.960 0.002 0.000 0.217 266 G C 0.619 175.537 174.900 0.031 0.000 1.128 266 G CA -0.112 44.999 45.100 0.019 0.000 0.784 266 G HN 0.291 nan 8.290 nan 0.000 0.542 267 E N 0.227 120.452 120.200 0.042 0.000 2.349 267 E HA 0.303 4.655 4.350 0.002 0.000 0.262 267 E C -0.653 175.988 176.600 0.069 0.000 1.088 267 E CA -0.629 55.801 56.400 0.050 0.000 0.899 267 E CB 0.758 30.491 29.700 0.055 0.000 1.044 267 E HN 0.145 nan 8.360 nan 0.000 0.420 268 D N 1.917 122.354 120.400 0.061 0.000 2.343 268 D HA -0.036 4.606 4.640 0.002 0.000 0.255 268 D C 0.443 176.806 176.300 0.106 0.000 1.187 268 D CA 0.012 54.059 54.000 0.079 0.000 0.875 268 D CB 0.401 41.230 40.800 0.049 0.000 1.136 268 D HN 0.496 nan 8.370 nan 0.000 0.469 269 Y N 4.801 125.128 120.300 0.046 0.000 2.014 269 Y HA -0.358 4.193 4.550 0.002 0.000 0.272 269 Y C 1.678 177.616 175.900 0.064 0.000 1.164 269 Y CA 2.048 60.197 58.100 0.081 0.000 1.114 269 Y CB -0.342 38.153 38.460 0.058 0.000 0.961 269 Y HN 0.546 nan 8.280 nan 0.000 0.489 270 N N 0.530 119.223 118.700 -0.012 0.000 2.205 270 N HA -0.226 4.516 4.740 0.002 0.000 0.186 270 N C 1.569 176.973 175.510 -0.177 0.000 1.015 270 N CA 1.344 54.308 53.050 -0.144 0.000 0.862 270 N CB -0.609 37.870 38.487 -0.013 0.000 0.986 270 N HN 0.512 nan 8.380 nan 0.000 0.429 271 N N 1.194 119.840 118.700 -0.090 0.000 2.106 271 N HA -0.019 4.722 4.740 0.002 0.000 0.188 271 N C 1.944 177.405 175.510 -0.082 0.000 1.029 271 N CA 0.546 53.557 53.050 -0.066 0.000 0.848 271 N CB -0.178 38.298 38.487 -0.017 0.000 1.007 271 N HN 0.227 nan 8.380 nan 0.000 0.423 272 L N 1.181 122.364 121.223 -0.067 0.000 2.017 272 L HA -0.171 4.171 4.340 0.002 0.000 0.208 272 L C 2.581 179.366 176.870 -0.142 0.000 1.073 272 L CA 1.235 56.083 54.840 0.013 0.000 0.745 272 L CB -0.378 41.779 42.059 0.164 0.000 0.894 272 L HN 0.196 nan 8.230 nan 0.000 0.432 273 K N 0.122 120.211 120.400 -0.517 0.000 2.026 273 K HA -0.184 4.138 4.320 0.002 0.000 0.208 273 K C 1.954 178.275 176.600 -0.465 0.000 1.048 273 K CA 1.601 57.273 56.287 -1.025 0.000 0.929 273 K CB 0.014 31.826 32.500 -1.147 0.000 0.713 273 K HN 0.273 nan 8.250 nan 0.000 0.439 274 N N 1.158 119.681 118.700 -0.295 0.000 2.166 274 N HA -0.144 4.598 4.740 0.002 0.000 0.186 274 N C 1.356 176.823 175.510 -0.072 0.000 1.019 274 N CA 1.391 54.348 53.050 -0.154 0.000 0.856 274 N CB -0.527 37.888 38.487 -0.121 0.000 0.993 274 N HN 0.382 nan 8.380 nan 0.000 0.426 275 N N -0.280 118.387 118.700 -0.055 0.000 2.188 275 N HA -0.172 4.569 4.740 0.002 0.000 0.184 275 N C 1.633 177.158 175.510 0.026 0.000 1.018 275 N CA 0.556 53.599 53.050 -0.012 0.000 0.858 275 N CB -0.158 38.333 38.487 0.007 0.000 0.989 275 N HN 0.259 nan 8.380 nan 0.000 0.426 276 Y N 1.966 122.226 120.300 -0.067 0.000 2.145 276 Y HA -0.116 4.435 4.550 0.002 0.000 0.286 276 Y C 2.046 178.008 175.900 0.104 0.000 1.145 276 Y CA 1.354 59.471 58.100 0.028 0.000 1.148 276 Y CB -0.204 38.278 38.460 0.037 0.000 0.981 276 Y HN -0.025 nan 8.280 nan 0.000 0.507 277 I N 0.086 120.777 120.570 0.202 0.000 2.179 277 I HA -0.323 3.849 4.170 0.002 0.000 0.242 277 I C 1.958 178.119 176.117 0.074 0.000 1.088 277 I CA 1.611 63.015 61.300 0.173 0.000 1.357 277 I CB -0.504 37.576 38.000 0.133 0.000 1.051 277 I HN 0.244 nan 8.210 nan 0.000 0.409 278 D N 0.665 121.073 120.400 0.014 0.000 2.123 278 D HA -0.221 4.421 4.640 0.002 0.000 0.196 278 D C 2.033 178.312 176.300 -0.034 0.000 0.992 278 D CA 1.262 55.256 54.000 -0.010 0.000 0.833 278 D CB -0.252 40.532 40.800 -0.027 0.000 0.954 278 D HN 0.415 nan 8.370 nan 0.000 0.455 279 E N -0.545 119.592 120.200 -0.104 0.000 2.077 279 E HA -0.166 4.186 4.350 0.002 0.000 0.193 279 E C 2.069 178.538 176.600 -0.218 0.000 0.989 279 E CA 0.857 57.128 56.400 -0.215 0.000 0.800 279 E CB -0.066 29.413 29.700 -0.369 0.000 0.746 279 E HN 0.397 nan 8.360 nan 0.000 0.452 280 W N 0.106 121.311 121.300 -0.158 0.000 2.418 280 W HA -0.113 4.548 4.660 0.003 0.000 0.292 280 W C 2.499 179.012 176.519 -0.010 0.000 1.213 280 W CA 1.129 58.413 57.345 -0.102 0.000 1.283 280 W CB -0.056 29.288 29.460 -0.193 0.000 1.119 280 W HN 0.055 nan 8.180 nan 0.000 0.542 281 T N 0.080 114.746 114.554 0.187 0.000 2.777 281 T HA -0.244 4.107 4.350 0.002 0.000 0.266 281 T C 1.716 176.452 174.700 0.060 0.000 1.040 281 T CA 1.535 63.684 62.100 0.080 0.000 1.141 281 T CB -0.312 68.571 68.868 0.025 0.000 0.868 281 T HN 0.122 nan 8.240 nan 0.000 0.444 282 K N 0.118 120.550 120.400 0.053 0.000 2.063 282 K HA -0.193 4.129 4.320 0.002 0.000 0.208 282 K C 2.182 178.830 176.600 0.080 0.000 1.048 282 K CA 1.447 57.756 56.287 0.037 0.000 0.928 282 K CB -0.336 32.168 32.500 0.007 0.000 0.713 282 K HN 0.497 nan 8.250 nan 0.000 0.442 283 Y N 0.771 121.083 120.300 0.019 0.000 2.163 283 Y HA -0.279 4.273 4.550 0.003 0.000 0.288 283 Y C 2.307 178.289 175.900 0.137 0.000 1.136 283 Y CA 1.715 59.854 58.100 0.066 0.000 1.147 283 Y CB -0.361 38.148 38.460 0.083 0.000 0.987 283 Y HN 0.160 nan 8.280 nan 0.000 0.509 284 C N 1.192 120.502 119.300 0.016 0.000 2.413 284 C HA -0.193 4.269 4.460 0.002 0.000 0.276 284 C C 2.175 177.168 174.990 0.004 0.000 1.248 284 C CA 1.401 60.406 59.018 -0.022 0.000 1.742 284 C CB -1.305 26.404 27.740 -0.050 0.000 2.017 284 C HN 0.619 nan 8.230 nan 0.000 0.481 285 N N -0.056 118.629 118.700 -0.026 0.000 2.571 285 N HA -0.071 4.670 4.740 0.002 0.000 0.189 285 N C 1.526 177.034 175.510 -0.003 0.000 1.154 285 N CA 0.746 53.798 53.050 0.002 0.000 0.907 285 N CB -0.367 38.113 38.487 -0.012 0.000 0.977 285 N HN 0.493 nan 8.380 nan 0.000 0.449 286 T N 0.052 114.571 114.554 -0.057 0.000 3.065 286 T HA 0.249 4.601 4.350 0.002 0.000 0.252 286 T C 0.693 175.355 174.700 -0.063 0.000 1.099 286 T CA -0.061 62.004 62.100 -0.059 0.000 1.063 286 T CB 0.191 69.021 68.868 -0.064 0.000 0.948 286 T HN 0.018 nan 8.240 nan 0.000 0.506 287 L N 2.198 123.387 121.223 -0.056 0.000 2.421 287 L HA 0.443 4.784 4.340 0.002 0.000 0.263 287 L C 0.402 177.310 176.870 0.063 0.000 1.122 287 L CA -1.162 53.685 54.840 0.011 0.000 0.804 287 L CB 0.442 42.521 42.059 0.033 0.000 1.150 287 L HN 0.040 nan 8.230 nan 0.000 0.457 288 N N 1.841 120.528 118.700 -0.021 0.000 2.458 288 N HA -0.043 4.699 4.740 0.002 0.000 0.258 288 N C 0.216 175.610 175.510 -0.193 0.000 1.219 288 N CA 0.128 53.020 53.050 -0.265 0.000 0.902 288 N CB 0.529 38.606 38.487 -0.683 0.000 1.076 288 N HN 0.600 nan 8.380 nan 0.000 0.455 289 N N 0.891 119.501 118.700 -0.150 0.000 2.205 289 N HA 0.073 4.815 4.740 0.002 0.000 0.201 289 N C -0.642 174.943 175.510 0.124 0.000 1.128 289 N CA -0.356 52.750 53.050 0.092 0.000 0.867 289 N CB -0.228 38.372 38.487 0.188 0.000 0.996 289 N HN 0.415 nan 8.380 nan 0.000 0.503 290 F N 1.129 121.028 119.950 -0.086 0.000 2.773 290 F HA -0.277 4.251 4.527 0.002 0.000 0.251 290 F C -0.037 175.714 175.800 -0.082 0.000 1.020 290 F CA 0.132 58.057 58.000 -0.125 0.000 0.924 290 F CB -2.441 36.419 39.000 -0.234 0.000 0.919 290 F HN 0.198 nan 8.300 nan 0.000 0.846 291 N N -0.580 118.139 118.700 0.030 0.000 2.721 291 N HA -0.213 4.529 4.740 0.002 0.000 0.249 291 N C 1.173 176.718 175.510 0.059 0.000 1.072 291 N CA 1.717 54.786 53.050 0.032 0.000 0.710 291 N CB -1.190 37.309 38.487 0.020 0.000 0.993 291 N HN 1.527 nan 8.380 nan 0.000 0.547 292 G N -0.921 107.933 108.800 0.090 0.000 2.148 292 G HA2 -0.372 3.590 3.960 0.002 0.000 0.254 292 G HA3 -0.372 3.590 3.960 0.002 0.000 0.254 292 G C 0.888 175.866 174.900 0.132 0.000 0.981 292 G CA 0.897 46.064 45.100 0.112 0.000 0.670 292 G HN 0.541 nan 8.290 nan 0.000 0.528 293 K N 0.212 120.695 120.400 0.140 0.000 2.314 293 K HA 0.477 4.798 4.320 0.002 0.000 0.198 293 K C 1.708 178.462 176.600 0.257 0.000 1.045 293 K CA 0.483 56.850 56.287 0.132 0.000 0.988 293 K CB 0.213 32.715 32.500 0.002 0.000 0.783 293 K HN 0.686 nan 8.250 nan 0.000 0.484 294 A N 3.384 126.355 122.820 0.250 0.000 2.580 294 A HA -0.077 4.245 4.320 0.002 0.000 0.244 294 A C 0.105 177.804 177.584 0.193 0.000 1.045 294 A CA 0.239 52.354 52.037 0.129 0.000 0.761 294 A CB -0.524 18.477 19.000 0.001 0.000 0.962 294 A HN 0.555 nan 8.150 nan 0.000 0.512 295 N N 0.411 119.112 118.700 0.002 0.000 2.741 295 N HA 0.419 5.160 4.740 0.002 0.000 0.310 295 N C 1.135 176.743 175.510 0.164 0.000 1.295 295 N CA -0.172 52.925 53.050 0.078 0.000 0.893 295 N CB 0.971 39.443 38.487 -0.026 0.000 1.247 295 N HN 0.515 nan 8.380 nan 0.000 0.596 296 S N -0.067 115.712 115.700 0.133 0.000 2.368 296 S HA -0.202 4.269 4.470 0.002 0.000 0.225 296 S C 1.830 176.461 174.600 0.052 0.000 1.030 296 S CA 0.735 59.014 58.200 0.132 0.000 0.999 296 S CB -0.623 62.611 63.200 0.056 0.000 0.844 296 S HN 0.531 nan 8.310 nan 0.000 0.459 297 L N 0.613 121.804 121.223 -0.055 0.000 2.131 297 L HA 0.046 4.388 4.340 0.002 0.000 0.210 297 L C 2.251 179.082 176.870 -0.064 0.000 1.092 297 L CA 1.580 56.325 54.840 -0.159 0.000 0.759 297 L CB -1.264 40.534 42.059 -0.435 0.000 0.903 297 L HN 0.485 nan 8.230 nan 0.000 0.435 298 Y N -1.052 119.134 120.300 -0.191 0.000 2.114 298 Y HA -0.312 4.240 4.550 0.003 0.000 0.284 298 Y C 2.258 178.067 175.900 -0.152 0.000 1.143 298 Y CA 2.019 59.985 58.100 -0.224 0.000 1.135 298 Y CB -0.743 37.368 38.460 -0.582 0.000 0.980 298 Y HN 0.237 nan 8.280 nan 0.000 0.499 299 Y N 0.744 120.976 120.300 -0.113 0.000 2.181 299 Y HA -0.228 4.324 4.550 0.002 0.000 0.288 299 Y C 2.793 178.582 175.900 -0.185 0.000 1.146 299 Y CA 1.788 59.769 58.100 -0.199 0.000 1.164 299 Y CB -1.071 37.369 38.460 -0.033 0.000 0.982 299 Y HN 0.328 nan 8.280 nan 0.000 0.515 300 N N -0.266 118.432 118.700 -0.003 0.000 2.069 300 N HA -0.197 4.544 4.740 0.002 0.000 0.191 300 N C 1.856 177.259 175.510 -0.178 0.000 1.031 300 N CA 1.687 54.673 53.050 -0.107 0.000 0.852 300 N CB -0.075 38.355 38.487 -0.094 0.000 1.018 300 N HN 0.256 nan 8.380 nan 0.000 0.423 301 S N 0.668 116.286 115.700 -0.137 0.000 2.359 301 S HA -0.091 4.381 4.470 0.002 0.000 0.224 301 S C 1.999 176.500 174.600 -0.166 0.000 1.035 301 S CA 1.031 59.151 58.200 -0.135 0.000 1.018 301 S CB -0.132 63.142 63.200 0.124 0.000 0.876 301 S HN 0.362 nan 8.310 nan 0.000 0.448 302 M N 0.835 120.329 119.600 -0.176 0.000 2.213 302 M HA 0.065 4.546 4.480 0.002 0.000 0.263 302 M C 2.040 178.408 176.300 0.114 0.000 1.062 302 M CA 1.312 56.558 55.300 -0.090 0.000 1.105 302 M CB -1.290 31.212 32.600 -0.162 0.000 1.385 302 M HN 0.369 nan 8.290 nan 0.000 0.417 303 M N -0.801 118.816 119.600 0.028 0.000 2.156 303 M HA -0.138 4.344 4.480 0.002 0.000 0.264 303 M C 2.191 178.402 176.300 -0.149 0.000 1.067 303 M CA 1.349 56.600 55.300 -0.081 0.000 1.131 303 M CB -0.453 31.858 32.600 -0.482 0.000 1.368 303 M HN 0.144 nan 8.290 nan 0.000 0.416 304 I N 0.625 121.074 120.570 -0.202 0.000 2.208 304 I HA -0.319 3.853 4.170 0.002 0.000 0.245 304 I C 2.314 178.404 176.117 -0.045 0.000 1.097 304 I CA 1.385 62.573 61.300 -0.187 0.000 1.363 304 I CB -0.398 37.386 38.000 -0.360 0.000 1.051 304 I HN 0.296 nan 8.210 nan 0.000 0.413 305 L N 0.091 121.288 121.223 -0.044 0.000 2.017 305 L HA -0.211 4.130 4.340 0.002 0.000 0.208 305 L C 2.671 179.749 176.870 0.346 0.000 1.073 305 L CA 1.167 56.016 54.840 0.014 0.000 0.745 305 L CB -0.732 41.119 42.059 -0.346 0.000 0.894 305 L HN 0.175 nan 8.230 nan 0.000 0.432 306 K N 0.685 121.330 120.400 0.409 0.000 2.103 306 K HA -0.151 4.170 4.320 0.002 0.000 0.207 306 K C 1.862 178.709 176.600 0.411 0.000 1.048 306 K CA 1.661 58.240 56.287 0.487 0.000 0.930 306 K CB -0.227 32.401 32.500 0.214 0.000 0.716 306 K HN 0.302 nan 8.250 nan 0.000 0.444 307 A N -0.047 122.997 122.820 0.374 0.000 2.238 307 A HA 0.032 4.353 4.320 0.002 0.000 0.208 307 A C 1.516 179.313 177.584 0.355 0.000 1.177 307 A CA 0.651 52.913 52.037 0.374 0.000 0.804 307 A CB 0.007 19.177 19.000 0.282 0.000 0.823 307 A HN 0.153 nan 8.150 nan 0.000 0.482 308 S N -0.266 115.618 115.700 0.306 0.000 2.572 308 S HA 0.107 4.579 4.470 0.002 0.000 0.228 308 S C 0.396 175.041 174.600 0.075 0.000 0.963 308 S CA -0.358 57.949 58.200 0.179 0.000 0.939 308 S CB -0.001 63.314 63.200 0.192 0.000 0.804 308 S HN 0.742 nan 8.310 nan 0.000 0.480 309 E N 1.979 122.182 120.200 0.004 0.000 2.231 309 E HA 0.191 4.543 4.350 0.002 0.000 0.277 309 E C -0.895 175.664 176.600 -0.068 0.000 0.999 309 E CA -0.578 55.550 56.400 -0.454 0.000 0.827 309 E CB 0.788 30.081 29.700 -0.678 0.000 1.101 309 E HN 0.034 nan 8.360 nan 0.000 0.393 310 D N 2.543 122.848 120.400 -0.159 0.000 2.362 310 D HA 0.022 4.663 4.640 0.002 0.000 0.242 310 D C 0.273 176.710 176.300 0.228 0.000 1.132 310 D CA 0.217 54.233 54.000 0.026 0.000 0.907 310 D CB 0.974 41.725 40.800 -0.083 0.000 1.195 310 D HN 0.356 nan 8.370 nan 0.000 0.429 311 K N 0.919 121.578 120.400 0.430 0.000 2.404 311 K HA 0.087 4.409 4.320 0.002 0.000 0.194 311 K C 0.872 177.603 176.600 0.218 0.000 1.023 311 K CA 0.281 56.824 56.287 0.428 0.000 1.094 311 K CB 0.565 33.279 32.500 0.357 0.000 0.841 311 K HN 0.380 nan 8.250 nan 0.000 0.523 312 T N 0.191 114.823 114.554 0.130 0.000 3.071 312 T HA 0.064 4.416 4.350 0.002 0.000 0.239 312 T C 0.615 175.319 174.700 0.007 0.000 0.997 312 T CA 0.129 62.256 62.100 0.046 0.000 1.134 312 T CB 0.189 69.086 68.868 0.049 0.000 0.928 312 T HN 0.042 nan 8.240 nan 0.000 0.453 313 N N 3.058 121.771 118.700 0.022 0.000 2.918 313 N HA 0.215 4.956 4.740 0.002 0.000 0.247 313 N C -0.744 174.756 175.510 -0.017 0.000 1.117 313 N CA 0.032 53.105 53.050 0.039 0.000 1.005 313 N CB 0.653 39.196 38.487 0.093 0.000 1.297 313 N HN 0.400 nan 8.380 nan 0.000 0.513 314 K N -0.283 120.093 120.400 -0.040 0.000 2.436 314 K HA 0.120 4.442 4.320 0.002 0.000 0.275 314 K C 1.150 177.723 176.600 -0.045 0.000 0.999 314 K CA 0.469 56.707 56.287 -0.082 0.000 0.980 314 K CB 0.589 32.997 32.500 -0.154 0.000 0.919 314 K HN 0.620 nan 8.250 nan 0.000 0.484 315 G N 0.991 109.709 108.800 -0.137 0.000 2.234 315 G HA2 -0.300 3.661 3.960 0.002 0.000 0.235 315 G HA3 -0.300 3.661 3.960 0.002 0.000 0.235 315 G C 0.193 174.871 174.900 -0.369 0.000 0.997 315 G CA -0.041 45.037 45.100 -0.038 0.000 0.623 315 G HN 0.789 nan 8.290 nan 0.000 0.514 316 A N 0.662 123.067 122.820 -0.693 0.000 2.671 316 A HA 0.652 4.973 4.320 0.002 0.000 0.306 316 A C -0.318 176.924 177.584 -0.570 0.000 1.473 316 A CA -0.117 51.370 52.037 -0.917 0.000 1.155 316 A CB -0.381 18.181 19.000 -0.731 0.000 1.123 316 A HN 0.531 nan 8.150 nan 0.000 0.545 317 Y N 2.403 122.577 120.300 -0.210 0.000 2.326 317 Y HA 0.442 4.994 4.550 0.003 0.000 0.337 317 Y C 0.853 176.725 175.900 -0.046 0.000 1.023 317 Y CA -0.590 57.478 58.100 -0.053 0.000 1.143 317 Y CB 0.983 39.480 38.460 0.061 0.000 1.183 317 Y HN 0.694 nan 8.280 nan 0.000 0.485 318 I N -0.253 120.347 120.570 0.050 0.000 2.970 318 I HA 0.598 4.770 4.170 0.002 0.000 0.310 318 I C 0.975 177.162 176.117 0.117 0.000 1.010 318 I CA -0.570 60.750 61.300 0.033 0.000 1.228 318 I CB 1.295 39.226 38.000 -0.115 0.000 1.433 318 I HN 0.631 nan 8.210 nan 0.000 0.573 319 A N 2.485 125.413 122.820 0.180 0.000 1.929 319 A HA 0.117 4.439 4.320 0.002 0.000 0.216 319 A C 1.240 178.909 177.584 0.142 0.000 1.176 319 A CA 1.332 53.492 52.037 0.204 0.000 0.628 319 A CB -0.322 18.792 19.000 0.190 0.000 0.816 319 A HN 0.818 nan 8.150 nan 0.000 0.444 320 S N -2.151 113.561 115.700 0.020 0.000 2.560 320 S HA 0.386 4.857 4.470 0.002 0.000 0.283 320 S C -1.309 173.066 174.600 -0.375 0.000 1.141 320 S CA -0.624 57.495 58.200 -0.134 0.000 0.902 320 S CB 0.904 63.998 63.200 -0.175 0.000 1.104 320 S HN 0.479 nan 8.310 nan 0.000 0.454 321 L N 4.977 125.991 121.223 -0.348 0.000 2.873 321 L HA 0.541 4.883 4.340 0.002 0.000 0.236 321 L C 0.013 176.746 176.870 -0.228 0.000 1.375 321 L CA 0.591 55.173 54.840 -0.431 0.000 1.239 321 L CB -1.011 40.832 42.059 -0.360 0.000 1.603 321 L HN 0.703 nan 8.230 nan 0.000 0.430 322 S N -0.494 115.053 115.700 -0.255 0.000 2.656 322 S HA 0.666 5.137 4.470 0.002 0.000 0.273 322 S C -0.569 174.009 174.600 -0.037 0.000 1.168 322 S CA -0.847 57.290 58.200 -0.105 0.000 0.817 322 S CB 1.285 64.353 63.200 -0.221 0.000 1.146 322 S HN 0.064 nan 8.310 nan 0.000 0.475 323 I N 2.250 122.791 120.570 -0.048 0.000 2.595 323 I HA 0.335 4.506 4.170 0.002 0.000 0.275 323 I C -2.487 173.575 176.117 -0.090 0.000 1.092 323 I CA -2.290 58.994 61.300 -0.027 0.000 1.145 323 I CB 1.713 39.652 38.000 -0.101 0.000 1.276 323 I HN 0.460 nan 8.210 nan 0.000 0.497 324 P HA -0.221 nan 4.420 nan 0.000 0.261 324 P C 0.007 177.231 177.300 -0.126 0.000 1.158 324 P CA 0.588 63.374 63.100 -0.523 0.000 0.758 324 P CB 0.301 31.542 31.700 -0.766 0.000 0.763 325 W N 1.202 122.479 121.300 -0.038 0.000 5.271 325 W HA -0.161 4.501 4.660 0.002 0.000 0.364 325 W C 1.394 177.937 176.519 0.040 0.000 1.342 325 W CA 0.802 58.142 57.345 -0.008 0.000 0.899 325 W CB -2.766 26.674 29.460 -0.033 0.000 2.450 325 W HN 0.641 nan 8.180 nan 0.000 1.508 326 G N 0.436 109.349 108.800 0.189 0.000 2.475 326 G HA2 -0.344 3.618 3.960 0.002 0.000 0.220 326 G HA3 -0.344 3.618 3.960 0.002 0.000 0.220 326 G C 1.283 176.343 174.900 0.268 0.000 1.125 326 G CA 1.596 46.858 45.100 0.270 0.000 0.755 326 G HN 0.368 nan 8.290 nan 0.000 0.565 327 D N 0.787 121.315 120.400 0.214 0.000 2.182 327 D HA -0.046 4.596 4.640 0.002 0.000 0.201 327 D C 2.424 178.853 176.300 0.215 0.000 0.986 327 D CA 1.504 55.620 54.000 0.193 0.000 0.847 327 D CB -0.609 40.299 40.800 0.180 0.000 0.942 327 D HN 0.253 nan 8.370 nan 0.000 0.467 328 G N -0.928 108.012 108.800 0.233 0.000 3.126 328 G HA2 0.042 4.004 3.960 0.002 0.000 0.224 328 G HA3 0.042 4.004 3.960 0.002 0.000 0.224 328 G C 0.396 175.435 174.900 0.232 0.000 1.142 328 G CA -0.300 44.972 45.100 0.287 0.000 0.759 328 G HN 0.209 nan 8.290 nan 0.000 0.550 329 Q N 0.590 120.527 119.800 0.228 0.000 2.256 329 Q HA 0.312 4.653 4.340 0.002 0.000 0.254 329 Q C -0.117 176.037 176.000 0.256 0.000 0.916 329 Q CA -0.599 55.361 55.803 0.263 0.000 0.932 329 Q CB 1.954 30.899 28.738 0.346 0.000 1.207 329 Q HN 0.182 nan 8.270 nan 0.000 0.426 330 R N 2.106 122.735 120.500 0.214 0.000 2.590 330 R HA -0.065 4.276 4.340 0.002 0.000 0.274 330 R C 0.896 177.277 176.300 0.135 0.000 1.061 330 R CA -0.007 56.177 56.100 0.139 0.000 1.081 330 R CB 0.525 30.899 30.300 0.123 0.000 0.984 330 R HN 0.713 nan 8.270 nan 0.000 0.448 331 D N 2.148 122.509 120.400 -0.065 0.000 2.384 331 D HA -0.169 4.473 4.640 0.002 0.000 0.222 331 D C -0.224 176.073 176.300 -0.005 0.000 0.976 331 D CA 0.540 54.356 54.000 -0.305 0.000 0.915 331 D CB -0.168 40.286 40.800 -0.577 0.000 0.896 331 D HN 0.574 nan 8.370 nan 0.000 0.523 332 D N 0.570 121.039 120.400 0.115 0.000 2.225 332 D HA 0.078 4.719 4.640 0.002 0.000 0.248 332 D C -0.098 176.355 176.300 0.255 0.000 1.096 332 D CA -0.765 53.328 54.000 0.155 0.000 0.863 332 D CB 0.568 41.422 40.800 0.090 0.000 1.156 332 D HN -0.137 nan 8.370 nan 0.000 0.450 333 N N 1.810 120.664 118.700 0.256 0.000 2.650 333 N HA -0.203 4.538 4.740 0.002 0.000 0.300 333 N C -1.485 174.163 175.510 0.230 0.000 1.197 333 N CA 0.995 54.184 53.050 0.232 0.000 0.746 333 N CB -0.466 38.135 38.487 0.189 0.000 0.976 333 N HN 0.480 nan 8.380 nan 0.000 0.558 334 T N 1.448 116.110 114.554 0.180 0.000 2.881 334 T HA 0.749 5.100 4.350 0.002 0.000 0.290 334 T C 0.660 175.261 174.700 -0.165 0.000 1.000 334 T CA -0.170 61.958 62.100 0.047 0.000 0.978 334 T CB 2.063 70.963 68.868 0.053 0.000 0.997 334 T HN 0.626 nan 8.240 nan 0.000 0.443 335 G N 0.589 109.346 108.800 -0.072 0.000 4.713 335 G HA2 0.378 4.340 3.960 0.002 0.000 0.227 335 G HA3 0.378 4.340 3.960 0.002 0.000 0.227 335 G C 0.841 175.764 174.900 0.039 0.000 2.776 335 G CA 0.055 45.120 45.100 -0.059 0.000 0.692 335 G HN 0.939 nan 8.290 nan 0.000 0.221 336 G N 0.574 109.438 108.800 0.107 0.000 2.421 336 G HA2 -0.184 3.777 3.960 0.002 0.000 0.216 336 G HA3 -0.184 3.777 3.960 0.002 0.000 0.216 336 G C 1.195 176.164 174.900 0.115 0.000 1.171 336 G CA 1.119 46.240 45.100 0.035 0.000 0.775 336 G HN 0.432 nan 8.290 nan 0.000 0.543 337 Y N 0.305 120.693 120.300 0.147 0.000 2.529 337 Y HA 0.180 4.731 4.550 0.002 0.000 0.290 337 Y C 1.568 177.442 175.900 -0.043 0.000 1.177 337 Y CA 0.132 58.300 58.100 0.114 0.000 1.305 337 Y CB 0.021 38.436 38.460 -0.075 0.000 1.047 337 Y HN 0.311 nan 8.280 nan 0.000 0.522 338 H N -0.527 118.562 119.070 0.032 0.000 2.610 338 H HA 0.285 4.843 4.556 0.003 0.000 0.302 338 H C -0.114 175.099 175.328 -0.190 0.000 1.063 338 H CA 0.006 56.001 56.048 -0.088 0.000 1.159 338 H CB -0.394 29.303 29.762 -0.109 0.000 1.427 338 H HN 0.152 nan 8.280 nan 0.000 0.553 339 L N -0.290 120.829 121.223 -0.172 0.000 2.304 339 L HA 0.473 4.815 4.340 0.002 0.000 0.268 339 L C -0.283 176.418 176.870 -0.282 0.000 1.010 339 L CA -1.372 53.175 54.840 -0.487 0.000 0.813 339 L CB 1.905 43.283 42.059 -1.136 0.000 1.315 339 L HN -0.099 nan 8.230 nan 0.000 0.445 340 V N 0.065 119.781 119.914 -0.330 0.000 2.370 340 V HA 0.313 4.434 4.120 0.002 0.000 0.283 340 V C -0.822 175.206 176.094 -0.110 0.000 1.023 340 V CA -0.492 61.757 62.300 -0.084 0.000 0.857 340 V CB 1.268 33.077 31.823 -0.024 0.000 0.985 340 V HN 0.500 nan 8.190 nan 0.000 0.443 341 W N 2.727 124.023 121.300 -0.007 0.000 2.475 341 W HA 0.260 4.921 4.660 0.003 0.000 0.317 341 W C 1.433 177.958 176.519 0.011 0.000 1.046 341 W CA -0.478 56.866 57.345 -0.002 0.000 1.215 341 W CB 2.199 31.645 29.460 -0.023 0.000 1.335 341 W HN 0.687 nan 8.180 nan 0.000 0.471 342 S N 2.900 118.729 115.700 0.215 0.000 2.374 342 S HA -0.259 4.212 4.470 0.002 0.000 0.227 342 S C 1.968 176.610 174.600 0.070 0.000 1.037 342 S CA 1.709 59.988 58.200 0.132 0.000 1.024 342 S CB -0.126 63.120 63.200 0.076 0.000 0.861 342 S HN 0.551 nan 8.310 nan 0.000 0.456 343 R N 0.464 120.984 120.500 0.034 0.000 2.070 343 R HA -0.123 4.219 4.340 0.002 0.000 0.232 343 R C 1.762 177.930 176.300 -0.219 0.000 1.138 343 R CA 2.283 58.296 56.100 -0.146 0.000 0.936 343 R CB -0.728 29.458 30.300 -0.190 0.000 0.839 343 R HN 0.383 nan 8.270 nan 0.000 0.429 344 D N 0.618 120.922 120.400 -0.160 0.000 2.123 344 D HA -0.186 4.456 4.640 0.002 0.000 0.196 344 D C 1.778 178.067 176.300 -0.019 0.000 0.992 344 D CA 1.056 54.961 54.000 -0.159 0.000 0.833 344 D CB -0.208 40.612 40.800 0.032 0.000 0.954 344 D HN 0.150 nan 8.370 nan 0.000 0.455 345 L N -0.173 121.098 121.223 0.080 0.000 2.042 345 L HA -0.182 4.160 4.340 0.002 0.000 0.210 345 L C 2.077 178.985 176.870 0.063 0.000 1.076 345 L CA 1.549 56.458 54.840 0.115 0.000 0.749 345 L CB -0.874 41.295 42.059 0.184 0.000 0.893 345 L HN 0.137 nan 8.230 nan 0.000 0.432 346 Y N -0.419 119.806 120.300 -0.126 0.000 2.128 346 Y HA -0.313 4.239 4.550 0.002 0.000 0.284 346 Y C 2.697 178.464 175.900 -0.223 0.000 1.154 346 Y CA 2.309 60.288 58.100 -0.203 0.000 1.149 346 Y CB -0.537 37.711 38.460 -0.353 0.000 0.976 346 Y HN 0.378 nan 8.280 nan 0.000 0.505 347 H N -1.111 117.801 119.070 -0.264 0.000 2.357 347 H HA -0.110 4.447 4.556 0.003 0.000 0.301 347 H C 2.579 177.787 175.328 -0.199 0.000 1.082 347 H CA 1.738 57.597 56.048 -0.316 0.000 1.342 347 H CB -0.664 28.901 29.762 -0.327 0.000 1.389 347 H HN 0.347 nan 8.280 nan 0.000 0.511 348 V N 1.270 121.157 119.914 -0.046 0.000 2.295 348 V HA -0.246 3.876 4.120 0.002 0.000 0.246 348 V C 2.827 178.820 176.094 -0.169 0.000 1.049 348 V CA 1.565 63.776 62.300 -0.149 0.000 1.024 348 V CB -1.023 30.707 31.823 -0.155 0.000 0.648 348 V HN 0.463 nan 8.190 nan 0.000 0.447 349 A N 0.294 123.087 122.820 -0.045 0.000 1.940 349 A HA -0.246 4.075 4.320 0.002 0.000 0.219 349 A C 2.045 179.637 177.584 0.013 0.000 1.176 349 A CA 2.055 54.138 52.037 0.077 0.000 0.631 349 A CB -0.666 18.364 19.000 0.050 0.000 0.814 349 A HN 0.600 nan 8.150 nan 0.000 0.446 350 N N 0.333 118.952 118.700 -0.135 0.000 2.223 350 N HA -0.084 4.657 4.740 0.002 0.000 0.185 350 N C 1.845 177.336 175.510 -0.032 0.000 1.016 350 N CA 1.431 54.408 53.050 -0.123 0.000 0.863 350 N CB -0.491 37.855 38.487 -0.236 0.000 0.983 350 N HN 0.494 nan 8.380 nan 0.000 0.429 351 A N 0.408 123.190 122.820 -0.064 0.000 1.898 351 A HA -0.042 4.279 4.320 0.002 0.000 0.216 351 A C 1.923 179.496 177.584 -0.018 0.000 1.181 351 A CA 0.800 52.799 52.037 -0.063 0.000 0.620 351 A CB -0.765 18.132 19.000 -0.171 0.000 0.819 351 A HN 0.114 nan 8.150 nan 0.000 0.442 352 F N 0.365 120.319 119.950 0.006 0.000 2.126 352 F HA -0.171 4.358 4.527 0.003 0.000 0.299 352 F C 2.205 178.029 175.800 0.040 0.000 1.096 352 F CA 0.748 58.764 58.000 0.027 0.000 1.255 352 F CB -0.387 38.605 39.000 -0.013 0.000 0.997 352 F HN 0.116 nan 8.300 nan 0.000 0.479 353 I N 0.037 120.729 120.570 0.203 0.000 2.142 353 I HA -0.275 3.896 4.170 0.002 0.000 0.240 353 I C 2.667 178.851 176.117 0.112 0.000 1.078 353 I CA 1.587 62.958 61.300 0.117 0.000 1.343 353 I CB -1.898 36.137 38.000 0.058 0.000 1.046 353 I HN 0.072 nan 8.210 nan 0.000 0.405 354 A N 0.641 123.534 122.820 0.122 0.000 1.978 354 A HA -0.082 4.240 4.320 0.002 0.000 0.220 354 A C 2.398 180.135 177.584 0.255 0.000 1.170 354 A CA 1.868 54.005 52.037 0.167 0.000 0.636 354 A CB -0.615 18.485 19.000 0.166 0.000 0.810 354 A HN 0.444 nan 8.150 nan 0.000 0.448 355 A N -2.382 120.594 122.820 0.259 0.000 2.178 355 A HA 0.414 4.736 4.320 0.002 0.000 0.211 355 A C 1.857 179.532 177.584 0.152 0.000 1.157 355 A CA 1.270 53.487 52.037 0.301 0.000 0.780 355 A CB -0.592 18.554 19.000 0.244 0.000 0.828 355 A HN 1.830 nan 8.150 nan 0.000 0.476 356 G N -0.559 108.310 108.800 0.114 0.000 2.176 356 G HA2 -0.222 3.740 3.960 0.002 0.000 0.232 356 G HA3 -0.222 3.740 3.960 0.002 0.000 0.232 356 G C 0.089 175.035 174.900 0.077 0.000 0.986 356 G CA 0.334 45.467 45.100 0.054 0.000 0.643 356 G HN 0.522 nan 8.290 nan 0.000 0.522 357 D N 1.360 121.851 120.400 0.152 0.000 2.631 357 D HA 0.475 5.116 4.640 0.002 0.000 0.227 357 D C 1.771 178.124 176.300 0.088 0.000 1.146 357 D CA 0.063 54.155 54.000 0.152 0.000 1.009 357 D CB 0.380 41.364 40.800 0.307 0.000 1.057 357 D HN 0.104 nan 8.370 nan 0.000 0.509 358 V N 1.964 121.910 119.914 0.053 0.000 2.407 358 V HA -0.209 3.913 4.120 0.002 0.000 0.248 358 V C 1.786 177.876 176.094 -0.006 0.000 1.055 358 V CA 1.417 63.733 62.300 0.026 0.000 1.049 358 V CB -0.280 31.549 31.823 0.011 0.000 0.662 358 V HN 0.384 nan 8.190 nan 0.000 0.455 359 D N 0.316 120.708 120.400 -0.013 0.000 2.104 359 D HA -0.144 4.498 4.640 0.002 0.000 0.194 359 D C 2.449 178.708 176.300 -0.068 0.000 0.994 359 D CA 1.825 55.812 54.000 -0.023 0.000 0.830 359 D CB -0.298 40.501 40.800 -0.002 0.000 0.959 359 D HN 0.393 nan 8.370 nan 0.000 0.452 360 S N 0.243 115.826 115.700 -0.196 0.000 2.382 360 S HA -0.118 4.353 4.470 0.002 0.000 0.228 360 S C 2.074 176.524 174.600 -0.249 0.000 1.027 360 S CA 1.065 59.022 58.200 -0.405 0.000 0.991 360 S CB -0.187 62.224 63.200 -1.315 0.000 0.823 360 S HN 0.381 nan 8.310 nan 0.000 0.469 361 A N 2.497 125.237 122.820 -0.134 0.000 1.902 361 A HA -0.118 4.203 4.320 0.002 0.000 0.217 361 A C 1.976 179.591 177.584 0.052 0.000 1.181 361 A CA 1.343 53.401 52.037 0.035 0.000 0.623 361 A CB -0.628 18.420 19.000 0.080 0.000 0.818 361 A HN 0.427 nan 8.150 nan 0.000 0.443 362 N N -0.567 118.149 118.700 0.026 0.000 2.166 362 N HA -0.128 4.614 4.740 0.002 0.000 0.186 362 N C 1.902 177.449 175.510 0.062 0.000 1.019 362 N CA 1.147 54.219 53.050 0.036 0.000 0.856 362 N CB -0.327 38.167 38.487 0.012 0.000 0.993 362 N HN 0.530 nan 8.380 nan 0.000 0.426 363 R N 0.742 121.281 120.500 0.065 0.000 2.092 363 R HA -0.075 4.267 4.340 0.002 0.000 0.231 363 R C 2.421 178.824 176.300 0.172 0.000 1.119 363 R CA 1.559 57.716 56.100 0.095 0.000 0.970 363 R CB -0.058 30.291 30.300 0.083 0.000 0.864 363 R HN 0.283 nan 8.270 nan 0.000 0.440 364 S N 0.313 116.144 115.700 0.218 0.000 2.383 364 S HA -0.141 4.330 4.470 0.002 0.000 0.227 364 S C 1.929 176.680 174.600 0.251 0.000 1.026 364 S CA 0.875 59.248 58.200 0.288 0.000 0.981 364 S CB -0.294 63.089 63.200 0.305 0.000 0.818 364 S HN 0.286 nan 8.310 nan 0.000 0.472 365 L N 2.386 123.713 121.223 0.173 0.000 2.056 365 L HA 0.012 4.354 4.340 0.002 0.000 0.207 365 L C 1.776 178.721 176.870 0.124 0.000 1.078 365 L CA 2.024 56.949 54.840 0.141 0.000 0.749 365 L CB -0.950 41.169 42.059 0.100 0.000 0.901 365 L HN 0.161 nan 8.230 nan 0.000 0.433 366 D N -1.682 118.786 120.400 0.114 0.000 2.218 366 D HA -0.241 4.401 4.640 0.002 0.000 0.204 366 D C 1.925 178.281 176.300 0.094 0.000 0.976 366 D CA 1.230 55.279 54.000 0.082 0.000 0.853 366 D CB -0.079 40.759 40.800 0.064 0.000 0.939 366 D HN 0.497 nan 8.370 nan 0.000 0.481 367 Y N 1.441 121.765 120.300 0.040 0.000 2.163 367 Y HA -0.131 4.421 4.550 0.002 0.000 0.288 367 Y C 2.186 178.104 175.900 0.030 0.000 1.136 367 Y CA 1.246 59.366 58.100 0.033 0.000 1.147 367 Y CB -0.402 38.090 38.460 0.054 0.000 0.987 367 Y HN -0.120 nan 8.280 nan 0.000 0.509 368 L N -0.164 121.112 121.223 0.088 0.000 2.083 368 L HA -0.204 4.138 4.340 0.002 0.000 0.209 368 L C 2.771 179.598 176.870 -0.071 0.000 1.083 368 L CA 1.078 55.917 54.840 -0.001 0.000 0.752 368 L CB -0.969 41.153 42.059 0.104 0.000 0.899 368 L HN 0.357 nan 8.230 nan 0.000 0.433 369 A N -0.368 122.432 122.820 -0.034 0.000 1.933 369 A HA -0.208 4.113 4.320 0.002 0.000 0.218 369 A C 2.411 179.943 177.584 -0.086 0.000 1.175 369 A CA 1.490 53.502 52.037 -0.040 0.000 0.628 369 A CB -0.346 18.649 19.000 -0.008 0.000 0.814 369 A HN 0.144 nan 8.150 nan 0.000 0.444 370 K N 0.088 120.408 120.400 -0.133 0.000 2.097 370 K HA -0.043 4.278 4.320 0.002 0.000 0.205 370 K C 1.920 178.400 176.600 -0.199 0.000 1.050 370 K CA 1.468 57.657 56.287 -0.163 0.000 0.938 370 K CB -0.618 31.760 32.500 -0.203 0.000 0.718 370 K HN 0.289 nan 8.250 nan 0.000 0.442 371 V N 0.777 120.526 119.914 -0.274 0.000 2.343 371 V HA -0.207 3.915 4.120 0.002 0.000 0.247 371 V C 2.490 178.498 176.094 -0.144 0.000 1.051 371 V CA 1.443 63.606 62.300 -0.229 0.000 1.036 371 V CB -0.282 31.396 31.823 -0.242 0.000 0.654 371 V HN 0.014 nan 8.190 nan 0.000 0.451 372 V N -0.017 119.823 119.914 -0.123 0.000 2.427 372 V HA -0.263 3.858 4.120 0.002 0.000 0.248 372 V C 2.404 178.439 176.094 -0.099 0.000 1.051 372 V CA 2.167 64.403 62.300 -0.107 0.000 1.048 372 V CB -0.709 31.063 31.823 -0.084 0.000 0.666 372 V HN 0.563 nan 8.190 nan 0.000 0.456 373 K N 0.096 120.442 120.400 -0.090 0.000 2.057 373 K HA -0.215 4.106 4.320 0.002 0.000 0.207 373 K C 1.589 178.144 176.600 -0.074 0.000 1.049 373 K CA 1.878 58.121 56.287 -0.074 0.000 0.931 373 K CB -0.131 32.330 32.500 -0.065 0.000 0.714 373 K HN 0.472 nan 8.250 nan 0.000 0.440 374 D N -0.220 120.130 120.400 -0.083 0.000 2.333 374 D HA -0.022 4.620 4.640 0.002 0.000 0.208 374 D C 1.011 177.267 176.300 -0.074 0.000 0.984 374 D CA 0.536 54.493 54.000 -0.071 0.000 0.873 374 D CB 0.229 40.987 40.800 -0.069 0.000 0.935 374 D HN 0.275 nan 8.370 nan 0.000 0.521 375 N N -0.536 118.108 118.700 -0.094 0.000 2.297 375 N HA 0.060 4.801 4.740 0.002 0.000 0.208 375 N C 1.320 176.738 175.510 -0.152 0.000 1.176 375 N CA 0.753 53.738 53.050 -0.109 0.000 0.882 375 N CB 1.958 40.379 38.487 -0.110 0.000 1.134 375 N HN 0.143 nan 8.380 nan 0.000 0.489 376 G N 1.889 110.597 108.800 -0.153 0.000 2.148 376 G HA2 -0.244 3.717 3.960 0.002 0.000 0.254 376 G HA3 -0.244 3.717 3.960 0.002 0.000 0.254 376 G C 0.061 174.776 174.900 -0.308 0.000 0.981 376 G CA 1.089 46.079 45.100 -0.184 0.000 0.670 376 G HN 0.435 nan 8.290 nan 0.000 0.528 377 M N -1.559 117.858 119.600 -0.304 0.000 3.231 377 M HA 0.491 4.973 4.480 0.002 0.000 0.282 377 M C -2.126 174.050 176.300 -0.206 0.000 1.126 377 M CA -0.936 54.127 55.300 -0.394 0.000 0.820 377 M CB 0.502 32.523 32.600 -0.964 0.000 1.624 377 M HN 0.151 nan 8.290 nan 0.000 0.535 378 I N 4.227 124.727 120.570 -0.116 0.000 2.307 378 I HA 0.433 4.604 4.170 0.002 0.000 0.289 378 I C -2.095 174.018 176.117 -0.008 0.000 1.021 378 I CA -1.564 59.713 61.300 -0.039 0.000 1.224 378 I CB 0.882 38.889 38.000 0.011 0.000 1.376 378 I HN 0.426 nan 8.210 nan 0.000 0.470 379 P HA 0.082 nan 4.420 nan 0.000 0.274 379 P C 0.646 177.970 177.300 0.039 0.000 1.246 379 P CA -0.281 62.830 63.100 0.018 0.000 0.795 379 P CB 1.150 32.858 31.700 0.013 0.000 1.006 380 Q N 1.847 121.698 119.800 0.085 0.000 2.103 380 Q HA -0.214 4.127 4.340 0.002 0.000 0.213 380 Q C 0.365 176.353 176.000 -0.019 0.000 1.008 380 Q CA 1.919 57.796 55.803 0.123 0.000 0.879 380 Q CB -0.037 28.838 28.738 0.229 0.000 0.946 380 Q HN 0.711 nan 8.270 nan 0.000 0.413 381 N N -2.657 115.947 118.700 -0.159 0.000 3.046 381 N HA 0.321 5.063 4.740 0.002 0.000 0.243 381 N C -1.473 173.852 175.510 -0.308 0.000 1.452 381 N CA -0.254 52.497 53.050 -0.499 0.000 0.882 381 N CB 1.732 39.416 38.487 -1.337 0.000 1.425 381 N HN 0.078 nan 8.380 nan 0.000 0.517 382 T N -3.583 110.771 114.554 -0.334 0.000 2.883 382 T HA 0.511 4.862 4.350 0.002 0.000 0.296 382 T C -1.097 173.480 174.700 -0.204 0.000 1.117 382 T CA -0.742 61.272 62.100 -0.143 0.000 1.006 382 T CB 1.120 70.015 68.868 0.045 0.000 1.191 382 T HN 0.541 nan 8.240 nan 0.000 0.508 383 W N 1.038 122.304 121.300 -0.057 0.000 2.049 383 W HA 0.379 5.041 4.660 0.003 0.000 0.356 383 W C 2.194 178.709 176.519 -0.006 0.000 1.323 383 W CA -0.920 56.380 57.345 -0.074 0.000 1.336 383 W CB 0.256 29.700 29.460 -0.026 0.000 1.176 383 W HN 0.782 nan 8.180 nan 0.000 0.623 384 I N -0.743 119.957 120.570 0.215 0.000 2.530 384 I HA -0.262 3.909 4.170 0.002 0.000 0.257 384 I C 1.900 178.153 176.117 0.227 0.000 1.179 384 I CA 1.821 63.189 61.300 0.114 0.000 1.440 384 I CB -0.998 36.997 38.000 -0.008 0.000 1.087 384 I HN 0.424 nan 8.210 nan 0.000 0.440 385 S N 1.038 116.867 115.700 0.216 0.000 2.447 385 S HA 0.126 4.597 4.470 0.002 0.000 0.233 385 S C 1.825 176.526 174.600 0.168 0.000 1.006 385 S CA 0.799 59.090 58.200 0.153 0.000 0.957 385 S CB -0.290 62.948 63.200 0.064 0.000 0.773 385 S HN 0.869 nan 8.310 nan 0.000 0.507 386 G N 0.827 109.766 108.800 0.232 0.000 2.201 386 G HA2 -0.249 3.712 3.960 0.002 0.000 0.212 386 G HA3 -0.249 3.712 3.960 0.002 0.000 0.212 386 G C -0.021 174.927 174.900 0.079 0.000 0.994 386 G CA 0.048 45.196 45.100 0.080 0.000 0.644 386 G HN 0.763 nan 8.290 nan 0.000 0.508 387 K N 2.388 122.887 120.400 0.165 0.000 2.350 387 K HA 0.423 4.744 4.320 0.002 0.000 0.279 387 K C -1.923 174.848 176.600 0.284 0.000 1.027 387 K CA -1.389 55.010 56.287 0.186 0.000 0.969 387 K CB 0.934 33.530 32.500 0.161 0.000 0.954 387 K HN 0.124 nan 8.250 nan 0.000 0.474 388 P HA -0.055 nan 4.420 nan 0.000 0.268 388 P C -1.022 176.418 177.300 0.233 0.000 1.205 388 P CA 0.159 63.347 63.100 0.147 0.000 0.771 388 P CB 0.578 32.328 31.700 0.083 0.000 0.858 389 Y N 3.439 123.709 120.300 -0.051 0.000 2.893 389 Y HA 0.309 4.860 4.550 0.002 0.000 0.195 389 Y C 0.724 176.689 175.900 0.108 0.000 0.964 389 Y CA 0.128 58.126 58.100 -0.169 0.000 1.596 389 Y CB -0.197 37.795 38.460 -0.780 0.000 1.247 389 Y HN 0.298 nan 8.280 nan 0.000 0.464 390 W N 1.192 122.514 121.300 0.036 0.000 2.161 390 W HA 0.208 4.870 4.660 0.003 0.000 0.344 390 W C 0.533 177.041 176.519 -0.019 0.000 1.262 390 W CA -0.006 57.325 57.345 -0.022 0.000 1.270 390 W CB 1.057 30.588 29.460 0.118 0.000 1.126 390 W HN 0.039 nan 8.180 nan 0.000 0.598 391 T N 1.697 116.371 114.554 0.199 0.000 3.266 391 T HA 0.237 4.589 4.350 0.002 0.000 0.278 391 T C 0.353 175.081 174.700 0.048 0.000 1.010 391 T CA -0.232 61.921 62.100 0.089 0.000 0.909 391 T CB -0.781 68.111 68.868 0.040 0.000 1.122 391 T HN 0.503 nan 8.240 nan 0.000 0.536 392 G N 1.497 110.335 108.800 0.064 0.000 2.527 392 G HA2 0.466 4.428 3.960 0.002 0.000 0.248 392 G HA3 0.466 4.428 3.960 0.002 0.000 0.248 392 G C -0.217 174.728 174.900 0.075 0.000 1.231 392 G CA -0.435 44.691 45.100 0.043 0.000 0.838 392 G HN 0.446 nan 8.290 nan 0.000 0.570 393 I N 1.281 121.884 120.570 0.056 0.000 2.337 393 I HA 0.223 4.395 4.170 0.002 0.000 0.285 393 I C 0.052 176.196 176.117 0.045 0.000 1.041 393 I CA -0.219 61.127 61.300 0.077 0.000 1.199 393 I CB 0.804 38.843 38.000 0.064 0.000 1.370 393 I HN 0.447 nan 8.210 nan 0.000 0.470 394 Q N 5.341 125.182 119.800 0.068 0.000 2.368 394 Q HA 0.333 4.675 4.340 0.002 0.000 0.263 394 Q C 0.798 176.811 176.000 0.022 0.000 1.009 394 Q CA -0.620 55.203 55.803 0.032 0.000 0.818 394 Q CB 2.702 31.476 28.738 0.060 0.000 1.239 394 Q HN 0.479 nan 8.270 nan 0.000 0.464 395 L N 2.641 123.849 121.223 -0.026 0.000 2.083 395 L HA -0.206 4.136 4.340 0.002 0.000 0.209 395 L C 1.969 178.820 176.870 -0.032 0.000 1.083 395 L CA 1.861 56.682 54.840 -0.032 0.000 0.752 395 L CB -0.807 41.203 42.059 -0.081 0.000 0.899 395 L HN 0.824 nan 8.230 nan 0.000 0.433 396 D N -0.183 120.181 120.400 -0.060 0.000 2.178 396 D HA -0.253 4.389 4.640 0.002 0.000 0.201 396 D C 1.521 177.757 176.300 -0.107 0.000 0.980 396 D CA 1.130 55.074 54.000 -0.095 0.000 0.842 396 D CB -0.285 40.448 40.800 -0.112 0.000 0.948 396 D HN 0.432 nan 8.370 nan 0.000 0.472 397 E N -0.271 119.900 120.200 -0.048 0.000 2.347 397 E HA -0.087 4.264 4.350 0.002 0.000 0.196 397 E C 2.013 178.605 176.600 -0.012 0.000 1.008 397 E CA 0.417 56.800 56.400 -0.028 0.000 0.852 397 E CB 0.155 29.882 29.700 0.044 0.000 0.783 397 E HN 0.357 nan 8.360 nan 0.000 0.505 398 Q N -0.320 119.491 119.800 0.018 0.000 2.269 398 Q HA 0.043 4.385 4.340 0.002 0.000 0.201 398 Q C 1.937 177.934 176.000 -0.006 0.000 0.946 398 Q CA 0.892 56.730 55.803 0.058 0.000 0.877 398 Q CB 0.025 28.859 28.738 0.160 0.000 0.963 398 Q HN 0.201 nan 8.270 nan 0.000 0.472 399 A N 1.362 124.148 122.820 -0.056 0.000 1.903 399 A HA -0.117 4.205 4.320 0.002 0.000 0.213 399 A C 1.671 179.144 177.584 -0.184 0.000 1.185 399 A CA 1.158 53.136 52.037 -0.099 0.000 0.628 399 A CB -0.215 18.727 19.000 -0.096 0.000 0.830 399 A HN 0.135 nan 8.150 nan 0.000 0.446 400 D N 0.182 120.391 120.400 -0.320 0.000 2.133 400 D HA -0.134 4.507 4.640 0.002 0.000 0.195 400 D C -0.518 175.618 176.300 -0.274 0.000 0.997 400 D CA 1.875 55.507 54.000 -0.614 0.000 0.840 400 D CB -1.430 38.846 40.800 -0.874 0.000 0.947 400 D HN 0.376 nan 8.370 nan 0.000 0.452 401 P HA -0.070 nan 4.420 nan 0.000 0.220 401 P C 1.885 179.213 177.300 0.047 0.000 1.148 401 P CA 0.827 63.940 63.100 0.022 0.000 0.803 401 P CB 0.015 31.730 31.700 0.025 0.000 0.782 402 I N -0.564 120.013 120.570 0.012 0.000 2.286 402 I HA -0.179 3.992 4.170 0.002 0.000 0.245 402 I C 2.611 178.797 176.117 0.114 0.000 1.104 402 I CA 1.179 62.512 61.300 0.055 0.000 1.397 402 I CB -0.578 37.425 38.000 0.004 0.000 1.072 402 I HN -0.186 nan 8.210 nan 0.000 0.417 403 I N 0.329 120.940 120.570 0.067 0.000 2.286 403 I HA -0.289 3.883 4.170 0.002 0.000 0.248 403 I C 2.522 178.812 176.117 0.287 0.000 1.115 403 I CA 1.162 62.557 61.300 0.159 0.000 1.392 403 I CB -0.285 37.760 38.000 0.075 0.000 1.065 403 I HN 0.248 nan 8.210 nan 0.000 0.418 404 L N 0.296 121.681 121.223 0.270 0.000 2.093 404 L HA -0.135 4.207 4.340 0.002 0.000 0.208 404 L C 2.563 179.530 176.870 0.161 0.000 1.085 404 L CA 1.765 56.754 54.840 0.249 0.000 0.755 404 L CB -0.576 41.638 42.059 0.259 0.000 0.904 404 L HN 0.046 nan 8.230 nan 0.000 0.435 405 S N -1.406 114.391 115.700 0.162 0.000 2.383 405 S HA -0.260 4.211 4.470 0.002 0.000 0.229 405 S C 1.837 176.528 174.600 0.152 0.000 1.030 405 S CA 1.654 59.937 58.200 0.138 0.000 1.002 405 S CB -0.643 62.657 63.200 0.167 0.000 0.829 405 S HN 0.689 nan 8.310 nan 0.000 0.467 406 Y N 2.284 122.660 120.300 0.127 0.000 2.163 406 Y HA -0.074 4.478 4.550 0.003 0.000 0.288 406 Y C 2.331 178.270 175.900 0.065 0.000 1.136 406 Y CA 1.397 59.586 58.100 0.148 0.000 1.147 406 Y CB -0.157 38.365 38.460 0.103 0.000 0.987 406 Y HN 0.035 nan 8.280 nan 0.000 0.509 407 R N 0.113 120.531 120.500 -0.136 0.000 2.115 407 R HA -0.079 4.262 4.340 0.002 0.000 0.230 407 R C 1.894 178.073 176.300 -0.203 0.000 1.111 407 R CA 1.455 57.415 56.100 -0.233 0.000 0.976 407 R CB -0.331 29.972 30.300 0.005 0.000 0.870 407 R HN 0.405 nan 8.270 nan 0.000 0.445 408 L N 0.665 121.811 121.223 -0.129 0.000 2.591 408 L HA 0.070 4.411 4.340 0.002 0.000 0.228 408 L C 0.236 176.970 176.870 -0.227 0.000 1.133 408 L CA 0.207 54.973 54.840 -0.124 0.000 0.880 408 L CB -0.020 42.007 42.059 -0.054 0.000 1.033 408 L HN 0.103 nan 8.230 nan 0.000 0.450 409 K N 0.606 120.794 120.400 -0.353 0.000 3.035 409 K HA -0.183 4.138 4.320 0.002 0.000 0.262 409 K C -0.202 175.894 176.600 -0.841 0.000 1.024 409 K CA 0.307 56.162 56.287 -0.721 0.000 0.748 409 K CB -0.935 31.250 32.500 -0.526 0.000 1.247 409 K HN 0.193 nan 8.250 nan 0.000 0.482 410 R N 1.038 121.285 120.500 -0.422 0.000 4.071 410 R HA 0.060 4.401 4.340 0.002 0.000 0.220 410 R C 0.258 176.527 176.300 -0.052 0.000 1.614 410 R CA -0.001 55.974 56.100 -0.207 0.000 1.505 410 R CB -0.243 30.023 30.300 -0.056 0.000 1.384 410 R HN 0.239 nan 8.270 nan 0.000 0.758 411 Y N 0.336 120.691 120.300 0.091 0.000 2.616 411 Y HA -0.123 4.428 4.550 0.003 0.000 0.296 411 Y C 1.807 177.770 175.900 0.106 0.000 1.154 411 Y CA 0.188 58.350 58.100 0.104 0.000 1.325 411 Y CB -0.257 38.237 38.460 0.057 0.000 1.007 411 Y HN 0.382 nan 8.280 nan 0.000 0.542 412 D N -0.175 120.333 120.400 0.178 0.000 2.347 412 D HA -0.101 4.540 4.640 0.002 0.000 0.215 412 D C 1.189 177.571 176.300 0.136 0.000 0.976 412 D CA 0.686 54.767 54.000 0.135 0.000 0.884 412 D CB -0.243 40.601 40.800 0.074 0.000 0.915 412 D HN 0.383 nan 8.370 nan 0.000 0.526 413 L N -0.059 121.254 121.223 0.150 0.000 2.653 413 L HA 0.097 4.438 4.340 0.002 0.000 0.231 413 L C 1.782 178.743 176.870 0.151 0.000 1.153 413 L CA -0.427 54.485 54.840 0.120 0.000 0.933 413 L CB -0.348 41.765 42.059 0.091 0.000 1.175 413 L HN -0.097 nan 8.230 nan 0.000 0.473 414 Y N 1.536 121.893 120.300 0.095 0.000 2.097 414 Y HA -0.321 4.230 4.550 0.002 0.000 0.282 414 Y C 2.200 178.142 175.900 0.070 0.000 1.152 414 Y CA 1.891 60.048 58.100 0.094 0.000 1.136 414 Y CB 0.031 38.547 38.460 0.092 0.000 0.975 414 Y HN 0.269 nan 8.280 nan 0.000 0.498 415 D N -0.943 119.440 120.400 -0.028 0.000 2.117 415 D HA -0.140 4.502 4.640 0.002 0.000 0.198 415 D C 2.321 178.559 176.300 -0.103 0.000 0.982 415 D CA 1.850 55.781 54.000 -0.115 0.000 0.828 415 D CB -0.347 40.464 40.800 0.017 0.000 0.967 415 D HN 0.508 nan 8.370 nan 0.000 0.464 416 S N -0.510 115.163 115.700 -0.045 0.000 2.478 416 S HA 0.026 4.498 4.470 0.002 0.000 0.222 416 S C 1.615 176.185 174.600 -0.050 0.000 1.008 416 S CA 0.022 58.197 58.200 -0.042 0.000 0.928 416 S CB 0.358 63.547 63.200 -0.018 0.000 0.781 416 S HN 0.128 nan 8.310 nan 0.000 0.518 417 L N 0.775 121.971 121.223 -0.045 0.000 2.738 417 L HA 0.405 4.746 4.340 0.002 0.000 0.175 417 L C 2.121 178.962 176.870 -0.048 0.000 1.125 417 L CA 0.787 55.608 54.840 -0.032 0.000 0.857 417 L CB -0.637 41.428 42.059 0.010 0.000 1.300 417 L HN 0.211 nan 8.230 nan 0.000 0.499 418 V N 1.523 121.415 119.914 -0.037 0.000 2.233 418 V HA -0.298 3.824 4.120 0.002 0.000 0.247 418 V C 2.624 178.624 176.094 -0.157 0.000 1.050 418 V CA 2.472 64.749 62.300 -0.039 0.000 1.010 418 V CB -0.728 31.178 31.823 0.137 0.000 0.637 418 V HN 0.447 nan 8.190 nan 0.000 0.444 419 K N 0.749 120.935 120.400 -0.357 0.000 2.032 419 K HA -0.153 4.169 4.320 0.002 0.000 0.209 419 K C -0.019 176.521 176.600 -0.100 0.000 1.048 419 K CA 1.964 58.082 56.287 -0.281 0.000 0.927 419 K CB -1.178 31.006 32.500 -0.527 0.000 0.712 419 K HN 0.450 nan 8.250 nan 0.000 0.441 420 P HA -0.176 nan 4.420 nan 0.000 0.217 420 P C 1.391 178.700 177.300 0.016 0.000 1.150 420 P CA 1.397 64.476 63.100 -0.036 0.000 0.832 420 P CB -0.023 31.639 31.700 -0.064 0.000 0.787 421 L N -0.709 120.508 121.223 -0.010 0.000 2.072 421 L HA -0.071 4.270 4.340 0.002 0.000 0.205 421 L C 2.822 179.713 176.870 0.035 0.000 1.079 421 L CA 1.400 56.270 54.840 0.049 0.000 0.752 421 L CB -1.152 40.912 42.059 0.009 0.000 0.906 421 L HN -0.064 nan 8.230 nan 0.000 0.436 422 A N -0.009 122.744 122.820 -0.112 0.000 1.902 422 A HA -0.224 4.097 4.320 0.002 0.000 0.217 422 A C 1.909 179.434 177.584 -0.098 0.000 1.181 422 A CA 1.936 53.792 52.037 -0.302 0.000 0.623 422 A CB -0.482 17.977 19.000 -0.902 0.000 0.818 422 A HN 0.346 nan 8.150 nan 0.000 0.443 423 D N -1.229 119.206 120.400 0.059 0.000 2.144 423 D HA -0.109 4.532 4.640 0.002 0.000 0.200 423 D C 1.627 178.030 176.300 0.172 0.000 0.978 423 D CA 1.009 55.106 54.000 0.162 0.000 0.833 423 D CB -0.390 40.505 40.800 0.159 0.000 0.961 423 D HN 0.564 nan 8.370 nan 0.000 0.470 424 F N 1.119 121.078 119.950 0.016 0.000 2.146 424 F HA -0.107 4.422 4.527 0.003 0.000 0.298 424 F C 2.206 178.037 175.800 0.052 0.000 1.096 424 F CA 0.904 58.919 58.000 0.025 0.000 1.275 424 F CB 0.026 39.028 39.000 0.003 0.000 1.008 424 F HN -0.168 nan 8.300 nan 0.000 0.480 425 I N 0.502 121.059 120.570 -0.021 0.000 2.226 425 I HA -0.335 3.836 4.170 0.002 0.000 0.245 425 I C 2.222 178.408 176.117 0.115 0.000 1.100 425 I CA 1.379 62.658 61.300 -0.034 0.000 1.374 425 I CB -0.441 37.598 38.000 0.064 0.000 1.057 425 I HN 0.177 nan 8.210 nan 0.000 0.413 426 I N 0.393 121.024 120.570 0.101 0.000 2.614 426 I HA -0.252 3.920 4.170 0.002 0.000 0.258 426 I C 2.439 178.646 176.117 0.149 0.000 1.189 426 I CA 1.191 62.583 61.300 0.153 0.000 1.462 426 I CB -0.334 37.712 38.000 0.077 0.000 1.092 426 I HN 0.210 nan 8.210 nan 0.000 0.442 427 K N 1.072 121.499 120.400 0.045 0.000 2.116 427 K HA -0.056 4.266 4.320 0.002 0.000 0.203 427 K C 1.882 178.451 176.600 -0.051 0.000 1.052 427 K CA 1.170 57.462 56.287 0.008 0.000 0.952 427 K CB 0.204 32.707 32.500 0.006 0.000 0.729 427 K HN 0.443 nan 8.250 nan 0.000 0.446 428 I N -4.275 116.198 120.570 -0.161 0.000 4.312 428 I HA 0.288 4.460 4.170 0.002 0.000 0.324 428 I C 1.034 177.049 176.117 -0.168 0.000 1.298 428 I CA -0.485 60.700 61.300 -0.192 0.000 1.231 428 I CB 0.171 37.960 38.000 -0.351 0.000 1.152 428 I HN -0.156 nan 8.210 nan 0.000 0.421 429 G N 2.717 111.451 108.800 -0.109 0.000 2.683 429 G HA2 0.275 4.236 3.960 0.002 0.000 0.260 429 G HA3 0.275 4.236 3.960 0.002 0.000 0.260 429 G C -1.540 173.027 174.900 -0.555 0.000 1.238 429 G CA -0.515 44.375 45.100 -0.350 0.000 0.934 429 G HN 0.156 nan 8.290 nan 0.000 0.534 430 P HA 0.082 nan 4.420 nan 0.000 0.240 430 P C 0.493 177.487 177.300 -0.511 0.000 1.190 430 P CA 0.303 62.673 63.100 -1.216 0.000 0.781 430 P CB 0.322 31.142 31.700 -1.467 0.000 0.931 431 K N 0.388 120.545 120.400 -0.406 0.000 2.319 431 K HA 0.240 4.562 4.320 0.002 0.000 0.265 431 K C -0.085 176.281 176.600 -0.389 0.000 1.000 431 K CA 0.113 56.056 56.287 -0.572 0.000 0.943 431 K CB 0.346 32.412 32.500 -0.723 0.000 0.950 431 K HN -0.167 nan 8.250 nan 0.000 0.485 432 T N 1.340 115.682 114.554 -0.354 0.000 2.907 432 T HA 0.417 4.768 4.350 0.002 0.000 0.292 432 T C 0.999 175.588 174.700 -0.185 0.000 1.043 432 T CA -0.304 61.661 62.100 -0.226 0.000 1.003 432 T CB 1.462 70.225 68.868 -0.175 0.000 1.084 432 T HN 0.669 nan 8.240 nan 0.000 0.483 433 G N 1.686 110.415 108.800 -0.119 0.000 2.408 433 G HA2 0.125 4.087 3.960 0.002 0.000 0.217 433 G HA3 0.125 4.087 3.960 0.002 0.000 0.217 433 G C 0.301 175.161 174.900 -0.067 0.000 1.150 433 G CA 0.899 45.950 45.100 -0.082 0.000 0.776 433 G HN 0.853 nan 8.290 nan 0.000 0.542 434 Q N -0.074 119.693 119.800 -0.056 0.000 2.426 434 Q HA 0.458 4.799 4.340 0.002 0.000 0.278 434 Q C -1.515 174.454 176.000 -0.052 0.000 1.007 434 Q CA -1.067 54.714 55.803 -0.037 0.000 0.850 434 Q CB 1.386 30.129 28.738 0.009 0.000 1.427 434 Q HN 0.199 nan 8.270 nan 0.000 0.391 435 E N 1.597 121.756 120.200 -0.068 0.000 2.869 435 E HA 0.157 4.509 4.350 0.002 0.000 0.258 435 E C 0.848 177.368 176.600 -0.134 0.000 1.354 435 E CA -0.461 55.865 56.400 -0.122 0.000 1.065 435 E CB 0.362 29.969 29.700 -0.156 0.000 1.215 435 E HN 0.737 nan 8.360 nan 0.000 0.659 436 R N -0.529 119.802 120.500 -0.281 0.000 2.241 436 R HA -0.060 4.281 4.340 0.002 0.000 0.224 436 R C 0.978 177.179 176.300 -0.166 0.000 1.101 436 R CA 1.270 57.192 56.100 -0.297 0.000 0.995 436 R CB -0.430 29.608 30.300 -0.437 0.000 0.870 436 R HN 0.647 nan 8.270 nan 0.000 0.463 437 W N 1.530 122.849 121.300 0.032 0.000 3.256 437 W HA 0.156 4.818 4.660 0.002 0.000 0.269 437 W C -0.216 176.313 176.519 0.017 0.000 1.310 437 W CA -0.502 56.850 57.345 0.013 0.000 1.673 437 W CB 0.307 29.791 29.460 0.039 0.000 1.115 437 W HN 0.173 nan 8.180 nan 0.000 0.686 438 E N -0.074 120.248 120.200 0.204 0.000 2.513 438 E HA -0.271 4.081 4.350 0.002 0.000 0.257 438 E C 0.250 176.931 176.600 0.136 0.000 1.098 438 E CA 0.955 57.455 56.400 0.166 0.000 0.752 438 E CB -1.714 28.123 29.700 0.228 0.000 1.324 438 E HN 0.607 nan 8.360 nan 0.000 0.403 439 E N -0.391 119.882 120.200 0.121 0.000 2.441 439 E HA 0.365 4.716 4.350 0.002 0.000 0.212 439 E C 0.726 177.354 176.600 0.046 0.000 0.840 439 E CA 0.135 56.591 56.400 0.093 0.000 1.143 439 E CB 1.238 31.014 29.700 0.127 0.000 1.153 439 E HN 0.287 nan 8.360 nan 0.000 0.539 440 I N 0.243 120.826 120.570 0.021 0.000 2.913 440 I HA 0.518 4.689 4.170 0.002 0.000 0.302 440 I C -1.023 175.072 176.117 -0.037 0.000 1.246 440 I CA -0.929 60.369 61.300 -0.003 0.000 1.010 440 I CB 2.038 40.035 38.000 -0.005 0.000 1.259 440 I HN 0.041 nan 8.210 nan 0.000 0.434 441 G N 2.462 111.231 108.800 -0.052 0.000 2.552 441 G HA2 0.820 4.782 3.960 0.002 0.000 0.324 441 G HA3 0.820 4.782 3.960 0.002 0.000 0.324 441 G C -0.334 174.465 174.900 -0.170 0.000 1.217 441 G CA -0.221 44.812 45.100 -0.112 0.000 0.989 441 G HN 1.295 nan 8.290 nan 0.000 0.490 442 G N -1.609 107.011 108.800 -0.300 0.000 2.250 442 G HA2 0.125 4.086 3.960 0.002 0.000 0.252 442 G HA3 0.125 4.086 3.960 0.002 0.000 0.252 442 G C -1.486 173.055 174.900 -0.597 0.000 1.325 442 G CA -0.875 43.941 45.100 -0.474 0.000 1.091 442 G HN 0.730 nan 8.290 nan 0.000 0.476 443 Y N 1.147 121.351 120.300 -0.161 0.000 2.404 443 Y HA 0.639 5.191 4.550 0.003 0.000 0.344 443 Y C 0.821 176.655 175.900 -0.111 0.000 0.970 443 Y CA 0.175 58.182 58.100 -0.155 0.000 1.180 443 Y CB 1.865 40.231 38.460 -0.156 0.000 1.138 443 Y HN 0.564 nan 8.280 nan 0.000 0.510 444 S N 5.496 121.187 115.700 -0.015 0.000 2.478 444 S HA 0.363 4.834 4.470 0.002 0.000 0.312 444 S C -1.741 172.843 174.600 -0.028 0.000 1.094 444 S CA -2.026 56.157 58.200 -0.028 0.000 1.081 444 S CB 1.335 64.485 63.200 -0.083 0.000 1.007 444 S HN 0.400 nan 8.310 nan 0.000 0.475 445 P HA -0.075 nan 4.420 nan 0.000 0.215 445 P C 1.351 178.594 177.300 -0.095 0.000 1.153 445 P CA 1.479 64.533 63.100 -0.075 0.000 0.853 445 P CB -0.070 31.548 31.700 -0.136 0.000 0.788 446 A N -0.061 122.709 122.820 -0.084 0.000 1.877 446 A HA -0.141 4.180 4.320 0.002 0.000 0.216 446 A C 2.395 179.919 177.584 -0.099 0.000 1.186 446 A CA 2.532 54.508 52.037 -0.102 0.000 0.620 446 A CB -1.905 17.015 19.000 -0.133 0.000 0.822 446 A HN 0.183 nan 8.150 nan 0.000 0.443 447 T N 0.157 114.648 114.554 -0.105 0.000 2.708 447 T HA -0.137 4.215 4.350 0.002 0.000 0.266 447 T C 1.948 176.603 174.700 -0.076 0.000 1.037 447 T CA 1.774 63.814 62.100 -0.100 0.000 1.146 447 T CB -0.324 68.476 68.868 -0.115 0.000 0.865 447 T HN 0.417 nan 8.240 nan 0.000 0.435 448 M N 0.833 120.391 119.600 -0.070 0.000 2.213 448 M HA -0.034 4.448 4.480 0.002 0.000 0.263 448 M C 2.769 179.055 176.300 -0.024 0.000 1.062 448 M CA 1.265 56.540 55.300 -0.042 0.000 1.105 448 M CB -0.448 32.126 32.600 -0.044 0.000 1.385 448 M HN 0.310 nan 8.290 nan 0.000 0.417 449 A N 0.504 123.288 122.820 -0.059 0.000 1.902 449 A HA -0.055 4.266 4.320 0.002 0.000 0.217 449 A C 2.376 179.933 177.584 -0.045 0.000 1.181 449 A CA 1.892 53.889 52.037 -0.066 0.000 0.623 449 A CB -0.860 18.093 19.000 -0.078 0.000 0.818 449 A HN 0.487 nan 8.150 nan 0.000 0.443 450 A N -0.199 122.590 122.820 -0.052 0.000 1.933 450 A HA -0.162 4.159 4.320 0.002 0.000 0.218 450 A C 1.914 179.477 177.584 -0.036 0.000 1.175 450 A CA 1.625 53.621 52.037 -0.069 0.000 0.628 450 A CB -0.504 18.432 19.000 -0.107 0.000 0.814 450 A HN 0.644 nan 8.150 nan 0.000 0.444 451 E N -0.431 119.780 120.200 0.019 0.000 2.072 451 E HA -0.106 4.245 4.350 0.002 0.000 0.191 451 E C 1.982 178.654 176.600 0.119 0.000 0.985 451 E CA 1.209 57.682 56.400 0.121 0.000 0.801 451 E CB -0.233 29.629 29.700 0.269 0.000 0.750 451 E HN 0.404 nan 8.360 nan 0.000 0.452 452 V N 1.381 121.347 119.914 0.085 0.000 2.307 452 V HA -0.252 3.869 4.120 0.002 0.000 0.245 452 V C 2.328 178.425 176.094 0.005 0.000 1.045 452 V CA 1.846 64.154 62.300 0.013 0.000 1.024 452 V CB -0.660 31.088 31.823 -0.124 0.000 0.651 452 V HN 0.309 nan 8.190 nan 0.000 0.449 453 A N 0.506 123.324 122.820 -0.004 0.000 1.877 453 A HA -0.104 4.217 4.320 0.002 0.000 0.216 453 A C 2.421 179.993 177.584 -0.021 0.000 1.186 453 A CA 2.013 54.055 52.037 0.009 0.000 0.620 453 A CB -1.289 17.713 19.000 0.004 0.000 0.822 453 A HN 0.528 nan 8.150 nan 0.000 0.443 454 G N -0.300 108.477 108.800 -0.038 0.000 2.418 454 G HA2 -0.158 3.803 3.960 0.002 0.000 0.217 454 G HA3 -0.158 3.803 3.960 0.002 0.000 0.217 454 G C 1.536 176.391 174.900 -0.076 0.000 1.158 454 G CA 1.044 46.110 45.100 -0.057 0.000 0.771 454 G HN 0.432 nan 8.290 nan 0.000 0.545 455 L N 0.341 121.515 121.223 -0.083 0.000 2.156 455 L HA -0.031 4.310 4.340 0.002 0.000 0.208 455 L C 3.113 179.963 176.870 -0.033 0.000 1.095 455 L CA 1.230 55.990 54.840 -0.133 0.000 0.770 455 L CB -0.553 41.401 42.059 -0.174 0.000 0.914 455 L HN 0.171 nan 8.230 nan 0.000 0.439 456 T N -1.073 113.485 114.554 0.006 0.000 2.777 456 T HA -0.169 4.182 4.350 0.002 0.000 0.266 456 T C 2.006 176.700 174.700 -0.010 0.000 1.040 456 T CA 1.425 63.546 62.100 0.035 0.000 1.141 456 T CB -0.285 68.633 68.868 0.083 0.000 0.868 456 T HN 0.392 nan 8.240 nan 0.000 0.444 457 C N 1.669 120.925 119.300 -0.073 0.000 2.435 457 C HA 0.174 4.635 4.460 0.002 0.000 0.279 457 C C 3.189 178.244 174.990 0.108 0.000 1.321 457 C CA 0.173 59.129 59.018 -0.103 0.000 1.752 457 C CB -1.407 26.273 27.740 -0.099 0.000 1.959 457 C HN 0.641 nan 8.230 nan 0.000 0.500 458 A N 0.638 123.495 122.820 0.061 0.000 1.930 458 A HA 0.111 4.432 4.320 0.002 0.000 0.217 458 A C 2.358 180.111 177.584 0.282 0.000 1.175 458 A CA 1.891 53.985 52.037 0.095 0.000 0.627 458 A CB -0.756 18.087 19.000 -0.261 0.000 0.815 458 A HN 0.548 nan 8.150 nan 0.000 0.443 459 A N -1.521 121.456 122.820 0.261 0.000 1.930 459 A HA -0.085 4.237 4.320 0.002 0.000 0.217 459 A C 2.122 179.780 177.584 0.123 0.000 1.175 459 A CA 1.565 53.756 52.037 0.257 0.000 0.627 459 A CB -0.784 18.322 19.000 0.176 0.000 0.815 459 A HN 0.705 nan 8.150 nan 0.000 0.443 460 Y N 0.542 120.847 120.300 0.009 0.000 2.145 460 Y HA -0.186 4.365 4.550 0.002 0.000 0.286 460 Y C 2.009 177.860 175.900 -0.082 0.000 1.145 460 Y CA 1.987 60.069 58.100 -0.029 0.000 1.148 460 Y CB -0.204 38.257 38.460 0.001 0.000 0.981 460 Y HN 0.263 nan 8.280 nan 0.000 0.507 461 I N 0.007 120.689 120.570 0.188 0.000 2.315 461 I HA -0.293 3.878 4.170 0.002 0.000 0.248 461 I C 2.631 178.552 176.117 -0.328 0.000 1.117 461 I CA 1.044 62.365 61.300 0.035 0.000 1.404 461 I CB -0.720 37.494 38.000 0.357 0.000 1.071 461 I HN 0.342 nan 8.210 nan 0.000 0.419 462 A N 0.616 123.276 122.820 -0.267 0.000 1.902 462 A HA -0.221 4.100 4.320 0.002 0.000 0.217 462 A C 2.215 179.416 177.584 -0.638 0.000 1.181 462 A CA 1.637 53.306 52.037 -0.613 0.000 0.623 462 A CB -0.528 18.419 19.000 -0.089 0.000 0.818 462 A HN 0.434 nan 8.150 nan 0.000 0.443 463 E N -0.523 119.367 120.200 -0.517 0.000 2.110 463 E HA -0.189 4.163 4.350 0.002 0.000 0.193 463 E C 2.184 178.396 176.600 -0.646 0.000 0.988 463 E CA 1.083 57.106 56.400 -0.629 0.000 0.804 463 E CB -0.135 29.296 29.700 -0.448 0.000 0.745 463 E HN 0.550 nan 8.360 nan 0.000 0.458 464 Q N 0.382 119.789 119.800 -0.655 0.000 2.170 464 Q HA -0.078 4.263 4.340 0.002 0.000 0.203 464 Q C 1.286 177.017 176.000 -0.448 0.000 0.976 464 Q CA 0.844 56.279 55.803 -0.613 0.000 0.858 464 Q CB -0.157 28.031 28.738 -0.916 0.000 0.907 464 Q HN 0.326 nan 8.270 nan 0.000 0.433 465 N N 0.635 119.025 118.700 -0.516 0.000 2.322 465 N HA 0.022 4.763 4.740 0.002 0.000 0.194 465 N C -0.366 174.904 175.510 -0.399 0.000 1.126 465 N CA 0.001 52.803 53.050 -0.414 0.000 0.845 465 N CB 0.422 38.568 38.487 -0.567 0.000 0.976 465 N HN 0.183 nan 8.380 nan 0.000 0.475 466 K N 0.567 120.635 120.400 -0.553 0.000 3.160 466 K HA -0.161 4.160 4.320 0.002 0.000 0.280 466 K C -0.533 175.678 176.600 -0.648 0.000 1.154 466 K CA 0.538 56.405 56.287 -0.701 0.000 0.822 466 K CB -1.021 31.389 32.500 -0.150 0.000 1.239 466 K HN 0.132 nan 8.250 nan 0.000 0.489 467 D N 0.190 120.226 120.400 -0.607 0.000 2.767 467 D HA 0.105 4.747 4.640 0.002 0.000 0.241 467 D C 0.636 176.743 176.300 -0.322 0.000 1.187 467 D CA -0.369 53.447 54.000 -0.307 0.000 0.999 467 D CB -0.106 40.585 40.800 -0.183 0.000 1.042 467 D HN 0.182 nan 8.370 nan 0.000 0.510 468 Y N 0.628 120.860 120.300 -0.114 0.000 2.256 468 Y HA -0.142 4.410 4.550 0.003 0.000 0.288 468 Y C 2.181 178.014 175.900 -0.111 0.000 1.155 468 Y CA 0.932 58.966 58.100 -0.110 0.000 1.203 468 Y CB -0.089 38.316 38.460 -0.092 0.000 0.980 468 Y HN 0.304 nan 8.280 nan 0.000 0.530 469 E N -0.208 120.012 120.200 0.035 0.000 2.031 469 E HA -0.172 4.179 4.350 0.002 0.000 0.193 469 E C 2.324 178.837 176.600 -0.145 0.000 0.994 469 E CA 1.564 57.943 56.400 -0.035 0.000 0.800 469 E CB -0.240 29.445 29.700 -0.025 0.000 0.752 469 E HN 0.343 nan 8.360 nan 0.000 0.447 470 S N 0.713 116.286 115.700 -0.212 0.000 2.368 470 S HA -0.133 4.338 4.470 0.002 0.000 0.224 470 S C 2.108 176.337 174.600 -0.619 0.000 1.029 470 S CA 0.844 58.739 58.200 -0.508 0.000 0.988 470 S CB -0.194 62.780 63.200 -0.378 0.000 0.838 470 S HN 0.373 nan 8.310 nan 0.000 0.462 471 A N 1.530 124.184 122.820 -0.277 0.000 1.873 471 A HA -0.268 4.054 4.320 0.002 0.000 0.218 471 A C 2.125 179.658 177.584 -0.086 0.000 1.193 471 A CA 2.008 53.972 52.037 -0.122 0.000 0.629 471 A CB -0.883 18.046 19.000 -0.117 0.000 0.826 471 A HN 0.568 nan 8.150 nan 0.000 0.447 472 Q N -0.427 119.321 119.800 -0.087 0.000 2.084 472 Q HA -0.242 4.100 4.340 0.002 0.000 0.202 472 Q C 2.201 178.154 176.000 -0.078 0.000 0.978 472 Q CA 2.069 57.839 55.803 -0.055 0.000 0.844 472 Q CB -0.178 28.537 28.738 -0.039 0.000 0.898 472 Q HN 0.706 nan 8.270 nan 0.000 0.426 473 K N -0.461 119.846 120.400 -0.155 0.000 2.032 473 K HA -0.197 4.125 4.320 0.002 0.000 0.209 473 K C 1.903 178.468 176.600 -0.060 0.000 1.048 473 K CA 1.678 57.876 56.287 -0.149 0.000 0.927 473 K CB -0.331 32.021 32.500 -0.246 0.000 0.712 473 K HN 0.373 nan 8.250 nan 0.000 0.441 474 Y N 0.506 120.769 120.300 -0.063 0.000 2.114 474 Y HA -0.240 4.311 4.550 0.002 0.000 0.284 474 Y C 2.830 178.660 175.900 -0.117 0.000 1.143 474 Y CA 0.403 58.446 58.100 -0.094 0.000 1.135 474 Y CB -0.036 38.403 38.460 -0.035 0.000 0.980 474 Y HN 0.189 nan 8.280 nan 0.000 0.499 475 Q N 0.630 120.488 119.800 0.097 0.000 2.084 475 Q HA -0.206 4.136 4.340 0.002 0.000 0.202 475 Q C 1.955 177.952 176.000 -0.004 0.000 0.978 475 Q CA 1.391 57.219 55.803 0.041 0.000 0.844 475 Q CB -0.326 28.431 28.738 0.032 0.000 0.898 475 Q HN 0.625 nan 8.270 nan 0.000 0.426 476 E N 0.227 120.410 120.200 -0.028 0.000 2.077 476 E HA -0.210 4.141 4.350 0.002 0.000 0.193 476 E C 1.945 178.480 176.600 -0.108 0.000 0.989 476 E CA 1.139 57.511 56.400 -0.046 0.000 0.800 476 E CB 0.079 29.753 29.700 -0.044 0.000 0.746 476 E HN 0.008 nan 8.360 nan 0.000 0.452 477 K N 0.852 121.131 120.400 -0.203 0.000 2.026 477 K HA -0.098 4.224 4.320 0.002 0.000 0.208 477 K C 1.828 178.069 176.600 -0.598 0.000 1.048 477 K CA 1.437 57.430 56.287 -0.490 0.000 0.929 477 K CB -0.456 31.670 32.500 -0.624 0.000 0.713 477 K HN 0.101 nan 8.250 nan 0.000 0.439 478 A N 1.069 123.680 122.820 -0.348 0.000 1.883 478 A HA -0.213 4.108 4.320 0.002 0.000 0.217 478 A C 1.789 179.369 177.584 -0.007 0.000 1.186 478 A CA 2.263 54.204 52.037 -0.161 0.000 0.624 478 A CB -0.885 18.118 19.000 0.004 0.000 0.822 478 A HN 0.439 nan 8.150 nan 0.000 0.444 479 D N -0.619 119.820 120.400 0.065 0.000 2.117 479 D HA -0.143 4.498 4.640 0.002 0.000 0.197 479 D C 1.831 178.183 176.300 0.087 0.000 0.987 479 D CA 1.514 55.604 54.000 0.151 0.000 0.829 479 D CB -0.474 40.397 40.800 0.119 0.000 0.961 479 D HN 0.586 nan 8.370 nan 0.000 0.460 480 N N -0.252 118.470 118.700 0.036 0.000 2.058 480 N HA -0.163 4.579 4.740 0.002 0.000 0.191 480 N C 1.539 177.186 175.510 0.228 0.000 1.037 480 N CA 1.241 54.350 53.050 0.098 0.000 0.848 480 N CB -0.236 38.298 38.487 0.079 0.000 1.021 480 N HN 0.103 nan 8.380 nan 0.000 0.422 481 W N 1.270 122.558 121.300 -0.019 0.000 2.363 481 W HA 0.023 4.685 4.660 0.002 0.000 0.296 481 W C 2.415 178.886 176.519 -0.080 0.000 1.212 481 W CA 0.392 57.711 57.345 -0.044 0.000 1.260 481 W CB -1.236 28.201 29.460 -0.039 0.000 1.131 481 W HN 0.310 nan 8.180 nan 0.000 0.530 482 Q N 0.954 120.813 119.800 0.099 0.000 2.084 482 Q HA -0.168 4.174 4.340 0.002 0.000 0.202 482 Q C 1.818 177.805 176.000 -0.022 0.000 0.978 482 Q CA 1.291 57.041 55.803 -0.089 0.000 0.844 482 Q CB -0.162 28.356 28.738 -0.368 0.000 0.898 482 Q HN 0.107 nan 8.270 nan 0.000 0.426 483 K N 0.311 120.733 120.400 0.036 0.000 2.365 483 K HA 0.018 4.339 4.320 0.002 0.000 0.199 483 K C 1.970 178.587 176.600 0.027 0.000 1.045 483 K CA 0.409 56.719 56.287 0.037 0.000 0.962 483 K CB 0.115 32.646 32.500 0.051 0.000 0.759 483 K HN 0.300 nan 8.250 nan 0.000 0.469 484 L N 0.017 121.261 121.223 0.035 0.000 2.554 484 L HA 0.119 4.461 4.340 0.002 0.000 0.225 484 L C 1.999 178.853 176.870 -0.026 0.000 1.104 484 L CA -0.030 54.805 54.840 -0.008 0.000 0.866 484 L CB -0.195 41.848 42.059 -0.026 0.000 1.047 484 L HN -0.001 nan 8.230 nan 0.000 0.468 485 I N 0.617 121.190 120.570 0.005 0.000 2.113 485 I HA -0.368 3.803 4.170 0.002 0.000 0.242 485 I C 2.052 178.236 176.117 0.111 0.000 1.064 485 I CA 1.584 62.903 61.300 0.031 0.000 1.320 485 I CB -0.268 37.742 38.000 0.018 0.000 1.028 485 I HN 0.311 nan 8.210 nan 0.000 0.406 486 D N 0.665 121.136 120.400 0.118 0.000 2.097 486 D HA -0.159 4.483 4.640 0.002 0.000 0.195 486 D C 1.900 178.250 176.300 0.083 0.000 0.989 486 D CA 1.278 55.355 54.000 0.129 0.000 0.827 486 D CB -0.545 40.254 40.800 -0.002 0.000 0.966 486 D HN 0.242 nan 8.370 nan 0.000 0.456 487 N N -0.268 118.441 118.700 0.015 0.000 2.381 487 N HA -0.019 4.723 4.740 0.002 0.000 0.182 487 N C 1.606 177.075 175.510 -0.070 0.000 1.025 487 N CA 0.373 53.409 53.050 -0.024 0.000 0.888 487 N CB -0.009 38.450 38.487 -0.047 0.000 0.965 487 N HN 0.222 nan 8.380 nan 0.000 0.438 488 L N -1.205 119.962 121.223 -0.092 0.000 2.463 488 L HA 0.115 4.457 4.340 0.002 0.000 0.219 488 L C 1.521 178.359 176.870 -0.054 0.000 1.088 488 L CA 1.011 55.741 54.840 -0.184 0.000 0.849 488 L CB 0.083 41.908 42.059 -0.388 0.000 1.012 488 L HN 0.259 nan 8.230 nan 0.000 0.468 489 T N -5.320 109.275 114.554 0.069 0.000 2.986 489 T HA 0.042 4.393 4.350 0.002 0.000 0.264 489 T C 0.135 174.956 174.700 0.201 0.000 0.964 489 T CA -0.178 62.014 62.100 0.153 0.000 0.895 489 T CB -0.128 68.876 68.868 0.225 0.000 1.163 489 T HN 0.056 nan 8.240 nan 0.000 0.517 490 Y N 2.754 123.041 120.300 -0.022 0.000 2.477 490 Y HA 0.540 5.092 4.550 0.002 0.000 0.349 490 Y C 0.358 176.103 175.900 -0.258 0.000 0.977 490 Y CA -0.605 57.342 58.100 -0.254 0.000 1.214 490 Y CB 0.903 39.106 38.460 -0.429 0.000 1.124 490 Y HN 0.079 nan 8.280 nan 0.000 0.521 491 T N 4.036 118.184 114.554 -0.676 0.000 2.913 491 T HA 0.224 4.575 4.350 0.002 0.000 0.287 491 T C 0.381 174.574 174.700 -0.844 0.000 1.008 491 T CA -0.292 61.428 62.100 -0.633 0.000 1.067 491 T CB 0.790 69.302 68.868 -0.593 0.000 0.996 491 T HN 0.885 nan 8.240 nan 0.000 0.513 492 E N 2.142 122.040 120.200 -0.504 0.000 2.676 492 E HA 0.191 4.543 4.350 0.002 0.000 0.222 492 E C 0.472 176.917 176.600 -0.258 0.000 0.968 492 E CA -0.108 56.062 56.400 -0.383 0.000 1.090 492 E CB 0.432 30.006 29.700 -0.211 0.000 1.066 492 E HN 0.605 nan 8.360 nan 0.000 0.496 493 N N 0.777 119.316 118.700 -0.268 0.000 2.433 493 N HA 0.118 4.860 4.740 0.002 0.000 0.270 493 N C -0.206 175.212 175.510 -0.152 0.000 1.354 493 N CA -0.203 52.750 53.050 -0.162 0.000 0.889 493 N CB 0.760 39.179 38.487 -0.113 0.000 1.285 493 N HN 0.056 nan 8.380 nan 0.000 0.503 494 G N 0.861 109.518 108.800 -0.239 0.000 2.476 494 G HA2 0.229 4.191 3.960 0.002 0.000 0.269 494 G HA3 0.229 4.191 3.960 0.002 0.000 0.269 494 G C -1.355 173.598 174.900 0.089 0.000 1.195 494 G CA -0.872 44.163 45.100 -0.108 0.000 0.843 494 G HN 0.104 nan 8.290 nan 0.000 0.545 495 P HA 0.016 nan 4.420 nan 0.000 0.229 495 P C 0.490 177.860 177.300 0.117 0.000 1.160 495 P CA 0.397 63.563 63.100 0.110 0.000 0.777 495 P CB 0.385 32.143 31.700 0.097 0.000 0.814 496 L N -0.448 120.882 121.223 0.178 0.000 2.375 496 L HA 0.390 4.731 4.340 0.002 0.000 0.271 496 L C 1.780 178.682 176.870 0.054 0.000 1.107 496 L CA 0.074 54.929 54.840 0.024 0.000 0.806 496 L CB 0.047 41.957 42.059 -0.249 0.000 1.146 496 L HN 0.115 nan 8.230 nan 0.000 0.447 497 G N 2.861 111.656 108.800 -0.008 0.000 2.661 497 G HA2 -0.452 3.510 3.960 0.002 0.000 0.327 497 G HA3 -0.452 3.510 3.960 0.002 0.000 0.327 497 G C 0.720 175.654 174.900 0.057 0.000 1.320 497 G CA 0.799 45.907 45.100 0.014 0.000 0.997 497 G HN 1.001 nan 8.290 nan 0.000 0.543 498 N N 2.479 121.220 118.700 0.068 0.000 2.515 498 N HA 0.299 5.040 4.740 0.002 0.000 0.191 498 N C 1.739 177.286 175.510 0.062 0.000 1.182 498 N CA 1.516 54.602 53.050 0.059 0.000 0.879 498 N CB -0.324 38.194 38.487 0.051 0.000 0.984 498 N HN 2.325 nan 8.380 nan 0.000 0.453 499 G N -0.607 108.275 108.800 0.136 0.000 2.189 499 G HA2 -0.313 3.649 3.960 0.002 0.000 0.267 499 G HA3 -0.313 3.649 3.960 0.002 0.000 0.267 499 G C -0.426 174.357 174.900 -0.195 0.000 0.975 499 G CA 0.419 45.557 45.100 0.063 0.000 0.644 499 G HN 0.562 nan 8.290 nan 0.000 0.537 500 Q N -0.560 119.190 119.800 -0.085 0.000 2.341 500 Q HA 0.676 5.018 4.340 0.002 0.000 0.268 500 Q C -0.449 175.417 176.000 -0.224 0.000 1.013 500 Q CA -0.856 54.734 55.803 -0.355 0.000 0.798 500 Q CB 1.383 30.046 28.738 -0.124 0.000 1.253 500 Q HN 0.849 nan 8.270 nan 0.000 0.457 501 Y N -1.232 118.644 120.300 -0.707 0.000 2.786 501 Y HA 0.315 4.867 4.550 0.002 0.000 0.365 501 Y C -1.774 173.863 175.900 -0.439 0.000 1.171 501 Y CA -1.582 56.261 58.100 -0.428 0.000 1.214 501 Y CB 0.250 38.564 38.460 -0.244 0.000 1.411 501 Y HN 0.370 nan 8.280 nan 0.000 0.485 502 Y N 3.649 124.003 120.300 0.091 0.000 2.425 502 Y HA 0.459 5.011 4.550 0.003 0.000 0.331 502 Y C 1.161 177.100 175.900 0.064 0.000 1.157 502 Y CA -0.256 57.887 58.100 0.072 0.000 1.372 502 Y CB 0.698 39.189 38.460 0.052 0.000 1.253 502 Y HN 0.635 nan 8.280 nan 0.000 0.536 503 I N 0.220 120.913 120.570 0.204 0.000 3.062 503 I HA 0.466 4.638 4.170 0.002 0.000 0.318 503 I C 1.362 177.571 176.117 0.154 0.000 1.026 503 I CA -1.050 60.361 61.300 0.185 0.000 1.096 503 I CB 1.361 39.424 38.000 0.105 0.000 1.348 503 I HN 0.621 nan 8.210 nan 0.000 0.543 504 R N 1.459 122.033 120.500 0.123 0.000 2.070 504 R HA 0.150 4.492 4.340 0.002 0.000 0.233 504 R C 0.160 176.489 176.300 0.050 0.000 1.137 504 R CA 1.645 57.799 56.100 0.090 0.000 0.945 504 R CB 0.185 30.513 30.300 0.047 0.000 0.845 504 R HN 0.795 nan 8.270 nan 0.000 0.430 505 I N -0.774 119.819 120.570 0.037 0.000 2.753 505 I HA 0.307 4.478 4.170 0.002 0.000 0.291 505 I C -1.866 174.254 176.117 0.004 0.000 1.425 505 I CA -0.719 60.587 61.300 0.010 0.000 1.039 505 I CB 2.027 40.007 38.000 -0.033 0.000 1.349 505 I HN 0.169 nan 8.210 nan 0.000 0.430 506 A N 4.149 126.971 122.820 0.003 0.000 2.301 506 A HA 0.667 4.989 4.320 0.002 0.000 0.312 506 A C 0.759 178.242 177.584 -0.169 0.000 1.182 506 A CA 0.174 52.183 52.037 -0.045 0.000 0.826 506 A CB 1.223 20.234 19.000 0.019 0.000 1.134 506 A HN 0.988 nan 8.150 nan 0.000 0.501 507 G N 1.388 109.873 108.800 -0.526 0.000 2.595 507 G HA2 0.319 4.280 3.960 0.002 0.000 0.213 507 G HA3 0.319 4.280 3.960 0.002 0.000 0.213 507 G C 0.561 175.020 174.900 -0.734 0.000 1.141 507 G CA 0.310 44.830 45.100 -0.967 0.000 0.806 507 G HN 0.539 nan 8.290 nan 0.000 0.530 508 L N -0.751 120.155 121.223 -0.529 0.000 2.464 508 L HA 0.392 4.734 4.340 0.002 0.000 0.264 508 L C 1.117 177.958 176.870 -0.049 0.000 1.062 508 L CA -0.678 54.044 54.840 -0.197 0.000 0.935 508 L CB 1.496 43.458 42.059 -0.160 0.000 1.603 508 L HN -0.152 nan 8.230 nan 0.000 0.528 509 S N -0.772 114.873 115.700 -0.092 0.000 2.614 509 S HA 0.085 4.556 4.470 0.002 0.000 0.230 509 S C -0.672 173.825 174.600 -0.172 0.000 0.952 509 S CA 0.049 58.120 58.200 -0.215 0.000 0.949 509 S CB -0.437 62.657 63.200 -0.176 0.000 0.786 509 S HN 0.486 nan 8.310 nan 0.000 0.478 510 D N 1.152 121.478 120.400 -0.122 0.000 2.478 510 D HA 0.248 4.890 4.640 0.002 0.000 0.240 510 D C -2.115 174.135 176.300 -0.083 0.000 1.364 510 D CA -1.758 52.186 54.000 -0.093 0.000 0.987 510 D CB 1.665 42.429 40.800 -0.061 0.000 1.328 510 D HN -0.114 nan 8.370 nan 0.000 0.584 511 P HA -0.017 nan 4.420 nan 0.000 0.230 511 P C 0.170 177.407 177.300 -0.105 0.000 1.158 511 P CA 0.577 63.623 63.100 -0.090 0.000 0.769 511 P CB 0.628 32.272 31.700 -0.093 0.000 0.807 512 D N -0.264 120.080 120.400 -0.094 0.000 2.346 512 D HA 0.114 4.756 4.640 0.002 0.000 0.206 512 D C 1.185 177.457 176.300 -0.046 0.000 1.001 512 D CA 0.189 54.134 54.000 -0.092 0.000 0.871 512 D CB 0.163 40.910 40.800 -0.089 0.000 0.943 512 D HN 0.143 nan 8.370 nan 0.000 0.518 513 A N 0.952 123.759 122.820 -0.022 0.000 2.346 513 A HA 0.176 4.497 4.320 0.002 0.000 0.252 513 A C 0.066 177.684 177.584 0.057 0.000 1.089 513 A CA -0.240 51.808 52.037 0.017 0.000 0.797 513 A CB 0.464 19.482 19.000 0.030 0.000 1.047 513 A HN -0.154 nan 8.150 nan 0.000 0.494 514 D N -0.447 119.999 120.400 0.078 0.000 2.255 514 D HA 0.562 5.204 4.640 0.002 0.000 0.249 514 D C -1.150 175.272 176.300 0.204 0.000 1.078 514 D CA 0.870 54.931 54.000 0.101 0.000 0.896 514 D CB 1.053 41.885 40.800 0.054 0.000 1.194 514 D HN 0.341 nan 8.370 nan 0.000 0.429 515 F N 2.325 122.280 119.950 0.008 0.000 2.767 515 F HA 0.156 4.685 4.527 0.002 0.000 0.341 515 F C -1.546 174.264 175.800 0.017 0.000 1.192 515 F CA -0.808 57.198 58.000 0.010 0.000 1.127 515 F CB 0.747 39.754 39.000 0.012 0.000 1.388 515 F HN 0.036 nan 8.300 nan 0.000 0.574 516 M N 7.390 126.820 119.600 -0.284 0.000 2.185 516 M HA 0.488 4.970 4.480 0.002 0.000 0.357 516 M C -0.154 176.051 176.300 -0.159 0.000 1.260 516 M CA -0.352 54.851 55.300 -0.162 0.000 1.124 516 M CB 0.738 33.225 32.600 -0.188 0.000 1.600 516 M HN 0.607 nan 8.290 nan 0.000 0.467 517 I N 0.708 121.298 120.570 0.035 0.000 2.846 517 I HA 0.575 4.746 4.170 0.002 0.000 0.307 517 I C -0.926 175.227 176.117 0.061 0.000 1.053 517 I CA -1.020 60.331 61.300 0.085 0.000 1.050 517 I CB 2.184 40.290 38.000 0.177 0.000 1.239 517 I HN 0.497 nan 8.210 nan 0.000 0.439 518 N N 5.204 123.936 118.700 0.053 0.000 2.437 518 N HA 0.446 5.187 4.740 0.002 0.000 0.259 518 N C -0.701 174.866 175.510 0.096 0.000 0.983 518 N CA -0.543 52.537 53.050 0.051 0.000 0.937 518 N CB 1.348 39.847 38.487 0.020 0.000 1.122 518 N HN 0.430 nan 8.380 nan 0.000 0.499 519 I N 1.870 122.533 120.570 0.154 0.000 2.496 519 I HA 0.197 4.369 4.170 0.002 0.000 0.285 519 I C 1.257 177.483 176.117 0.182 0.000 1.080 519 I CA -0.578 60.840 61.300 0.197 0.000 1.404 519 I CB 0.041 38.238 38.000 0.328 0.000 1.403 519 I HN 0.529 nan 8.210 nan 0.000 0.539 520 A N 6.106 129.038 122.820 0.186 0.000 2.346 520 A HA 0.140 4.462 4.320 0.002 0.000 0.255 520 A C 0.936 178.655 177.584 0.224 0.000 1.113 520 A CA -0.201 51.947 52.037 0.185 0.000 0.798 520 A CB -0.093 19.017 19.000 0.182 0.000 1.073 520 A HN 0.882 nan 8.150 nan 0.000 0.502 521 N N -0.778 118.059 118.700 0.229 0.000 2.716 521 N HA -0.223 4.519 4.740 0.002 0.000 0.250 521 N C 0.844 176.478 175.510 0.208 0.000 1.033 521 N CA 1.828 55.039 53.050 0.268 0.000 0.727 521 N CB -1.654 37.056 38.487 0.373 0.000 0.950 521 N HN 2.080 nan 8.380 nan 0.000 0.541 522 G N -1.532 107.362 108.800 0.157 0.000 2.187 522 G HA2 -0.328 3.633 3.960 0.002 0.000 0.261 522 G HA3 -0.328 3.633 3.960 0.002 0.000 0.261 522 G C 1.236 176.221 174.900 0.142 0.000 1.000 522 G CA 1.055 46.228 45.100 0.122 0.000 0.718 522 G HN 0.837 nan 8.290 nan 0.000 0.519 523 G N -0.458 108.458 108.800 0.193 0.000 2.470 523 G HA2 0.450 4.411 3.960 0.002 0.000 0.220 523 G HA3 0.450 4.411 3.960 0.002 0.000 0.220 523 G C 1.453 176.532 174.900 0.298 0.000 1.121 523 G CA 1.659 46.912 45.100 0.257 0.000 0.766 523 G HN 2.228 nan 8.290 nan 0.000 0.553 524 G N -2.261 106.642 108.800 0.171 0.000 2.434 524 G HA2 0.153 4.114 3.960 0.002 0.000 0.671 524 G HA3 0.153 4.114 3.960 0.002 0.000 0.671 524 G C -1.089 173.716 174.900 -0.158 0.000 1.280 524 G CA -0.438 44.646 45.100 -0.027 0.000 0.975 524 G HN 0.804 nan 8.290 nan 0.000 0.510 525 V N 1.056 120.643 119.914 -0.545 0.000 2.448 525 V HA 0.786 4.908 4.120 0.002 0.000 0.295 525 V C -0.614 175.023 176.094 -0.762 0.000 1.025 525 V CA -0.467 61.580 62.300 -0.421 0.000 0.859 525 V CB 0.892 32.556 31.823 -0.264 0.000 0.988 525 V HN 0.777 nan 8.190 nan 0.000 0.431 526 Y N 1.139 121.417 120.300 -0.037 0.000 2.644 526 Y HA 0.483 5.034 4.550 0.002 0.000 0.338 526 Y C -0.112 175.798 175.900 0.018 0.000 1.119 526 Y CA -1.382 56.706 58.100 -0.020 0.000 1.060 526 Y CB 1.251 39.705 38.460 -0.009 0.000 1.294 526 Y HN 0.659 nan 8.280 nan 0.000 0.472 527 D N 0.522 121.045 120.400 0.204 0.000 2.302 527 D HA 0.107 4.749 4.640 0.002 0.000 0.248 527 D C 0.969 177.381 176.300 0.187 0.000 1.094 527 D CA -0.167 53.925 54.000 0.155 0.000 0.897 527 D CB 1.102 41.973 40.800 0.118 0.000 1.200 527 D HN 0.632 nan 8.370 nan 0.000 0.429 528 Q N 2.620 122.538 119.800 0.197 0.000 2.217 528 Q HA -0.285 4.057 4.340 0.002 0.000 0.209 528 Q C 1.099 177.179 176.000 0.134 0.000 0.988 528 Q CA 1.313 57.219 55.803 0.171 0.000 0.878 528 Q CB -0.196 28.644 28.738 0.170 0.000 0.909 528 Q HN 0.453 nan 8.270 nan 0.000 0.424 529 K N 0.558 121.028 120.400 0.117 0.000 2.439 529 K HA -0.057 4.265 4.320 0.002 0.000 0.197 529 K C 1.390 178.111 176.600 0.202 0.000 1.041 529 K CA 1.039 57.391 56.287 0.108 0.000 0.970 529 K CB 0.189 32.708 32.500 0.032 0.000 0.773 529 K HN 0.414 nan 8.250 nan 0.000 0.479 530 E N 0.361 120.666 120.200 0.175 0.000 2.442 530 E HA 0.012 4.364 4.350 0.002 0.000 0.195 530 E C -0.016 176.652 176.600 0.114 0.000 1.030 530 E CA 0.265 56.760 56.400 0.158 0.000 0.869 530 E CB 0.396 30.200 29.700 0.174 0.000 0.857 530 E HN 0.120 nan 8.360 nan 0.000 0.505 531 I N 2.541 123.189 120.570 0.130 0.000 2.330 531 I HA 0.172 4.343 4.170 0.002 0.000 0.289 531 I C 0.231 176.415 176.117 0.111 0.000 1.001 531 I CA -0.848 60.510 61.300 0.097 0.000 1.193 531 I CB 0.830 38.880 38.000 0.082 0.000 1.345 531 I HN -0.239 nan 8.210 nan 0.000 0.461 532 V N 2.650 122.611 119.914 0.077 0.000 2.881 532 V HA 0.775 4.896 4.120 0.002 0.000 0.316 532 V C -0.728 175.465 176.094 0.164 0.000 1.070 532 V CA -0.516 61.829 62.300 0.076 0.000 0.976 532 V CB 2.807 34.589 31.823 -0.068 0.000 1.038 532 V HN 0.735 nan 8.190 nan 0.000 0.446 533 D N 2.507 123.030 120.400 0.204 0.000 2.970 533 D HA 0.441 5.082 4.640 0.002 0.000 0.230 533 D C -2.262 174.255 176.300 0.361 0.000 1.276 533 D CA -1.579 52.606 54.000 0.309 0.000 0.910 533 D CB 3.049 44.044 40.800 0.324 0.000 1.590 533 D HN 0.390 nan 8.370 nan 0.000 0.551 534 P HA -0.064 nan 4.420 nan 0.000 0.228 534 P C 0.987 178.322 177.300 0.058 0.000 1.151 534 P CA 0.402 63.631 63.100 0.216 0.000 0.770 534 P CB 0.375 32.066 31.700 -0.015 0.000 0.786 535 S N 0.265 116.045 115.700 0.132 0.000 2.465 535 S HA -0.134 4.337 4.470 0.002 0.000 0.241 535 S C 1.425 175.984 174.600 -0.068 0.000 1.000 535 S CA 1.017 59.206 58.200 -0.018 0.000 0.964 535 S CB -1.254 61.896 63.200 -0.083 0.000 0.763 535 S HN 0.367 nan 8.310 nan 0.000 0.512 536 F N 1.433 121.332 119.950 -0.086 0.000 2.333 536 F HA 0.041 4.569 4.527 0.003 0.000 0.300 536 F C 1.360 177.059 175.800 -0.169 0.000 1.083 536 F CA 0.635 58.546 58.000 -0.148 0.000 1.395 536 F CB -0.929 38.007 39.000 -0.107 0.000 1.056 536 F HN 0.080 nan 8.300 nan 0.000 0.529 537 L N 0.539 121.078 121.223 -1.140 0.000 2.549 537 L HA -0.107 4.235 4.340 0.002 0.000 0.230 537 L C 2.255 178.901 176.870 -0.373 0.000 1.162 537 L CA 0.668 54.957 54.840 -0.918 0.000 0.834 537 L CB -0.724 40.844 42.059 -0.819 0.000 0.947 537 L HN 0.189 nan 8.230 nan 0.000 0.452 538 E N 0.300 120.345 120.200 -0.257 0.000 2.204 538 E HA -0.169 4.183 4.350 0.002 0.000 0.195 538 E C 2.297 178.843 176.600 -0.089 0.000 0.990 538 E CA 0.892 57.226 56.400 -0.109 0.000 0.821 538 E CB -0.063 29.593 29.700 -0.074 0.000 0.750 538 E HN 0.541 nan 8.360 nan 0.000 0.477 539 L N 0.468 121.606 121.223 -0.143 0.000 2.012 539 L HA -0.199 4.142 4.340 0.002 0.000 0.210 539 L C 2.652 179.502 176.870 -0.034 0.000 1.073 539 L CA 1.505 56.279 54.840 -0.110 0.000 0.748 539 L CB -0.689 41.266 42.059 -0.173 0.000 0.891 539 L HN 0.100 nan 8.230 nan 0.000 0.431 540 V N -2.680 117.222 119.914 -0.022 0.000 2.407 540 V HA -0.110 4.012 4.120 0.002 0.000 0.245 540 V C 2.647 178.783 176.094 0.070 0.000 1.041 540 V CA 1.189 63.531 62.300 0.070 0.000 1.040 540 V CB -0.662 31.258 31.823 0.162 0.000 0.671 540 V HN 0.291 nan 8.190 nan 0.000 0.455 541 R N 1.032 121.551 120.500 0.031 0.000 2.103 541 R HA -0.013 4.329 4.340 0.002 0.000 0.242 541 R C 1.923 178.267 176.300 0.074 0.000 1.142 541 R CA 2.076 58.201 56.100 0.042 0.000 0.960 541 R CB -1.106 29.216 30.300 0.036 0.000 0.858 541 R HN 0.628 nan 8.270 nan 0.000 0.439 542 L N -0.924 120.343 121.223 0.074 0.000 2.591 542 L HA 0.262 4.603 4.340 0.002 0.000 0.228 542 L C 1.002 177.947 176.870 0.125 0.000 1.133 542 L CA 0.449 55.345 54.840 0.094 0.000 0.880 542 L CB 0.142 42.236 42.059 0.059 0.000 1.033 542 L HN 0.576 nan 8.230 nan 0.000 0.450 543 G N -0.413 108.481 108.800 0.156 0.000 2.147 543 G HA2 -0.247 3.714 3.960 0.002 0.000 0.244 543 G HA3 -0.247 3.714 3.960 0.002 0.000 0.244 543 G C 0.618 175.634 174.900 0.193 0.000 1.005 543 G CA 0.361 45.614 45.100 0.255 0.000 0.713 543 G HN 0.152 nan 8.290 nan 0.000 0.515 544 V N -0.838 119.130 119.914 0.090 0.000 2.725 544 V HA 0.230 4.352 4.120 0.002 0.000 0.247 544 V C 1.309 177.402 176.094 -0.001 0.000 1.058 544 V CA 1.644 63.931 62.300 -0.022 0.000 1.080 544 V CB 0.062 31.814 31.823 -0.118 0.000 0.713 544 V HN 0.334 nan 8.190 nan 0.000 0.465 545 K N 0.060 120.483 120.400 0.038 0.000 2.385 545 K HA 0.537 4.859 4.320 0.002 0.000 0.248 545 K C -0.628 176.034 176.600 0.103 0.000 0.955 545 K CA -0.293 56.030 56.287 0.060 0.000 0.816 545 K CB 2.148 34.679 32.500 0.053 0.000 1.250 545 K HN 0.109 nan 8.250 nan 0.000 0.434 546 S N 0.968 116.729 115.700 0.102 0.000 2.565 546 S HA 0.166 4.638 4.470 0.002 0.000 0.276 546 S C 1.284 175.980 174.600 0.160 0.000 1.326 546 S CA -0.220 58.051 58.200 0.120 0.000 1.045 546 S CB 1.347 64.597 63.200 0.083 0.000 0.918 546 S HN 0.670 nan 8.310 nan 0.000 0.505 547 A N 2.128 125.045 122.820 0.163 0.000 2.024 547 A HA -0.148 4.174 4.320 0.002 0.000 0.220 547 A C 1.459 179.186 177.584 0.239 0.000 1.164 547 A CA 1.705 53.869 52.037 0.212 0.000 0.643 547 A CB -0.475 18.498 19.000 -0.045 0.000 0.806 547 A HN 0.860 nan 8.150 nan 0.000 0.451 548 D N -0.816 119.675 120.400 0.150 0.000 2.368 548 D HA 0.045 4.686 4.640 0.002 0.000 0.218 548 D C -0.062 176.313 176.300 0.124 0.000 1.112 548 D CA -0.381 53.701 54.000 0.136 0.000 0.834 548 D CB -0.424 40.428 40.800 0.087 0.000 0.953 548 D HN 0.218 nan 8.370 nan 0.000 0.505 549 D N 2.115 122.597 120.400 0.136 0.000 2.434 549 D HA -0.024 4.618 4.640 0.002 0.000 0.252 549 D C -1.066 175.297 176.300 0.104 0.000 1.185 549 D CA -1.466 52.597 54.000 0.104 0.000 0.886 549 D CB 1.669 42.539 40.800 0.116 0.000 1.148 549 D HN -0.011 nan 8.370 nan 0.000 0.483 550 P HA -0.180 nan 4.420 nan 0.000 0.220 550 P C 0.858 178.190 177.300 0.053 0.000 1.144 550 P CA 1.168 64.304 63.100 0.060 0.000 0.800 550 P CB 0.375 32.095 31.700 0.033 0.000 0.772 551 K N -0.854 119.530 120.400 -0.028 0.000 2.103 551 K HA -0.031 4.290 4.320 0.002 0.000 0.204 551 K C 2.170 178.861 176.600 0.153 0.000 1.052 551 K CA 0.836 57.034 56.287 -0.147 0.000 0.945 551 K CB -0.285 31.812 32.500 -0.671 0.000 0.722 551 K HN 0.116 nan 8.250 nan 0.000 0.443 552 I N 1.364 122.105 120.570 0.286 0.000 2.202 552 I HA -0.230 3.942 4.170 0.002 0.000 0.242 552 I C 2.209 178.503 176.117 0.295 0.000 1.091 552 I CA 1.155 62.711 61.300 0.427 0.000 1.368 552 I CB -0.858 37.351 38.000 0.348 0.000 1.058 552 I HN 0.132 nan 8.210 nan 0.000 0.410 553 L N 0.571 121.920 121.223 0.211 0.000 2.046 553 L HA -0.209 4.133 4.340 0.002 0.000 0.208 553 L C 2.139 179.092 176.870 0.138 0.000 1.077 553 L CA 1.776 56.718 54.840 0.170 0.000 0.747 553 L CB -1.724 40.425 42.059 0.150 0.000 0.896 553 L HN 0.394 nan 8.230 nan 0.000 0.432 554 N N -1.012 117.770 118.700 0.136 0.000 2.120 554 N HA -0.161 4.581 4.740 0.002 0.000 0.188 554 N C 1.604 177.166 175.510 0.085 0.000 1.024 554 N CA 1.695 54.818 53.050 0.123 0.000 0.852 554 N CB 0.024 38.612 38.487 0.168 0.000 1.003 554 N HN 0.341 nan 8.380 nan 0.000 0.424 555 T N 1.337 115.924 114.554 0.055 0.000 2.777 555 T HA -0.072 4.279 4.350 0.002 0.000 0.266 555 T C 1.849 176.462 174.700 -0.145 0.000 1.040 555 T CA 0.550 62.553 62.100 -0.161 0.000 1.141 555 T CB -0.240 68.271 68.868 -0.596 0.000 0.868 555 T HN 0.039 nan 8.240 nan 0.000 0.444 556 L N 1.365 122.619 121.223 0.052 0.000 2.043 556 L HA -0.097 4.245 4.340 0.002 0.000 0.212 556 L C 2.309 179.237 176.870 0.097 0.000 1.075 556 L CA 1.712 56.634 54.840 0.137 0.000 0.752 556 L CB -0.603 41.533 42.059 0.129 0.000 0.891 556 L HN 0.223 nan 8.230 nan 0.000 0.432 557 K N -1.461 118.980 120.400 0.068 0.000 2.057 557 K HA -0.132 4.190 4.320 0.002 0.000 0.207 557 K C 1.951 178.555 176.600 0.008 0.000 1.049 557 K CA 1.496 57.816 56.287 0.055 0.000 0.931 557 K CB -0.378 32.151 32.500 0.049 0.000 0.714 557 K HN 0.192 nan 8.250 nan 0.000 0.440 558 V N 1.060 120.929 119.914 -0.075 0.000 2.358 558 V HA -0.185 3.936 4.120 0.002 0.000 0.246 558 V C 2.298 178.322 176.094 -0.116 0.000 1.047 558 V CA 1.284 63.470 62.300 -0.191 0.000 1.035 558 V CB -0.241 31.276 31.823 -0.511 0.000 0.658 558 V HN 0.072 nan 8.190 nan 0.000 0.452 559 V N 0.341 120.228 119.914 -0.045 0.000 2.295 559 V HA -0.250 3.871 4.120 0.002 0.000 0.246 559 V C 2.235 178.460 176.094 0.219 0.000 1.049 559 V CA 2.252 64.607 62.300 0.092 0.000 1.024 559 V CB -0.649 31.274 31.823 0.167 0.000 0.648 559 V HN 0.548 nan 8.190 nan 0.000 0.447 560 D N -0.254 120.291 120.400 0.242 0.000 2.219 560 D HA -0.076 4.566 4.640 0.002 0.000 0.205 560 D C 2.333 178.707 176.300 0.124 0.000 0.970 560 D CA 1.240 55.405 54.000 0.275 0.000 0.851 560 D CB -0.070 40.901 40.800 0.285 0.000 0.943 560 D HN 0.376 nan 8.370 nan 0.000 0.488 561 S N -0.748 114.994 115.700 0.070 0.000 2.470 561 S HA -0.053 4.418 4.470 0.002 0.000 0.225 561 S C 1.998 176.603 174.600 0.009 0.000 1.006 561 S CA 1.255 59.471 58.200 0.026 0.000 0.934 561 S CB 0.211 63.412 63.200 0.000 0.000 0.778 561 S HN 0.508 nan 8.310 nan 0.000 0.517 562 T N -0.439 114.122 114.554 0.012 0.000 2.999 562 T HA 0.289 4.641 4.350 0.002 0.000 0.247 562 T C 1.075 175.792 174.700 0.029 0.000 1.012 562 T CA -0.101 61.990 62.100 -0.014 0.000 1.048 562 T CB -0.328 68.497 68.868 -0.070 0.000 1.020 562 T HN 0.475 nan 8.240 nan 0.000 0.478 563 I N -1.555 119.090 120.570 0.125 0.000 3.621 563 I HA 0.558 4.729 4.170 0.002 0.000 0.325 563 I C -0.248 175.996 176.117 0.211 0.000 1.554 563 I CA -0.943 60.518 61.300 0.267 0.000 1.053 563 I CB 0.361 38.533 38.000 0.288 0.000 1.302 563 I HN -0.059 nan 8.210 nan 0.000 0.518 564 K N 1.976 122.371 120.400 -0.007 0.000 2.138 564 K HA 0.737 5.059 4.320 0.002 0.000 0.263 564 K C -1.372 175.014 176.600 -0.358 0.000 0.965 564 K CA -0.508 55.483 56.287 -0.494 0.000 0.868 564 K CB 2.541 34.813 32.500 -0.380 0.000 1.083 564 K HN 0.139 nan 8.250 nan 0.000 0.443 565 V N 3.490 123.098 119.914 -0.510 0.000 2.623 565 V HA 0.158 4.280 4.120 0.002 0.000 0.304 565 V C -1.120 174.797 176.094 -0.294 0.000 1.054 565 V CA -0.993 61.128 62.300 -0.299 0.000 0.882 565 V CB 1.910 33.581 31.823 -0.252 0.000 1.002 565 V HN 0.838 nan 8.190 nan 0.000 0.424 566 D N 3.754 124.043 120.400 -0.185 0.000 2.422 566 D HA 0.271 4.912 4.640 0.002 0.000 0.227 566 D C 0.616 176.871 176.300 -0.074 0.000 1.190 566 D CA 0.156 54.073 54.000 -0.137 0.000 0.905 566 D CB 1.599 42.338 40.800 -0.102 0.000 1.034 566 D HN 0.741 nan 8.370 nan 0.000 0.507 567 T N -0.575 113.959 114.554 -0.034 0.000 2.816 567 T HA 0.282 4.634 4.350 0.002 0.000 0.282 567 T C -1.530 173.164 174.700 -0.009 0.000 0.993 567 T CA -1.331 60.780 62.100 0.020 0.000 0.994 567 T CB 1.661 70.612 68.868 0.139 0.000 1.025 567 T HN 0.045 nan 8.240 nan 0.000 0.529 568 P HA 0.092 nan 4.420 nan 0.000 0.239 568 P C 0.616 177.874 177.300 -0.070 0.000 1.184 568 P CA 0.495 63.575 63.100 -0.032 0.000 0.760 568 P CB 0.161 31.851 31.700 -0.016 0.000 0.884 569 K N -0.778 119.563 120.400 -0.098 0.000 2.355 569 K HA 0.362 4.683 4.320 0.002 0.000 0.198 569 K C 1.213 177.555 176.600 -0.430 0.000 1.039 569 K CA 0.469 56.593 56.287 -0.271 0.000 1.075 569 K CB 1.301 33.590 32.500 -0.352 0.000 0.870 569 K HN 0.223 nan 8.250 nan 0.000 0.540 570 G N 2.302 110.949 108.800 -0.256 0.000 2.347 570 G HA2 -0.064 3.897 3.960 0.002 0.000 0.341 570 G HA3 -0.064 3.897 3.960 0.002 0.000 0.341 570 G C -3.302 171.555 174.900 -0.073 0.000 1.287 570 G CA -1.035 43.930 45.100 -0.225 0.000 0.984 570 G HN -0.193 nan 8.290 nan 0.000 0.526 571 P HA 0.596 nan 4.420 nan 0.000 0.286 571 P C -0.484 176.805 177.300 -0.019 0.000 1.261 571 P CA -0.142 62.866 63.100 -0.154 0.000 0.821 571 P CB 2.061 33.618 31.700 -0.238 0.000 1.013 572 S N 1.398 116.886 115.700 -0.354 0.000 2.625 572 S HA 0.681 5.153 4.470 0.002 0.000 0.271 572 S C -1.900 172.433 174.600 -0.444 0.000 1.161 572 S CA -0.648 57.495 58.200 -0.095 0.000 0.820 572 S CB 0.901 64.045 63.200 -0.094 0.000 1.137 572 S HN 0.430 nan 8.310 nan 0.000 0.470 573 W N 1.101 122.347 121.300 -0.090 0.000 2.962 573 W HA 0.466 5.127 4.660 0.002 0.000 0.341 573 W C -1.241 175.160 176.519 -0.198 0.000 1.155 573 W CA -0.645 56.634 57.345 -0.111 0.000 1.165 573 W CB 1.141 30.600 29.460 -0.002 0.000 1.435 573 W HN 0.627 nan 8.180 nan 0.000 0.546 574 Y N 0.645 121.004 120.300 0.099 0.000 2.298 574 Y HA 0.139 4.690 4.550 0.002 0.000 0.329 574 Y C 1.780 177.567 175.900 -0.189 0.000 1.293 574 Y CA -0.009 58.036 58.100 -0.091 0.000 1.388 574 Y CB 0.785 39.154 38.460 -0.151 0.000 1.309 574 Y HN 0.274 nan 8.280 nan 0.000 0.544 575 R N 0.367 120.649 120.500 -0.362 0.000 2.115 575 R HA -0.043 4.298 4.340 0.002 0.000 0.230 575 R C -1.016 175.289 176.300 0.007 0.000 1.111 575 R CA 1.344 57.150 56.100 -0.490 0.000 0.976 575 R CB -0.158 29.343 30.300 -1.331 0.000 0.870 575 R HN 0.716 nan 8.270 nan 0.000 0.445 576 Y N -3.439 116.837 120.300 -0.039 0.000 2.765 576 Y HA 0.240 4.791 4.550 0.002 0.000 0.350 576 Y C -1.906 173.926 175.900 -0.112 0.000 1.196 576 Y CA -2.384 55.715 58.100 -0.003 0.000 1.119 576 Y CB 0.059 38.548 38.460 0.048 0.000 1.368 576 Y HN -0.198 nan 8.280 nan 0.000 0.463 577 N N 2.276 120.986 118.700 0.017 0.000 2.458 577 N HA 0.207 4.949 4.740 0.002 0.000 0.258 577 N C -0.449 174.893 175.510 -0.280 0.000 1.219 577 N CA 0.736 53.579 53.050 -0.345 0.000 0.902 577 N CB -0.177 38.020 38.487 -0.484 0.000 1.076 577 N HN 0.874 nan 8.380 nan 0.000 0.455 578 H N -2.957 115.979 119.070 -0.223 0.000 3.109 578 H HA -0.173 4.384 4.556 0.002 0.000 0.245 578 H C -0.616 174.688 175.328 -0.039 0.000 1.187 578 H CA 0.811 56.773 56.048 -0.144 0.000 1.136 578 H CB -1.659 27.953 29.762 -0.251 0.000 1.243 578 H HN 0.747 nan 8.280 nan 0.000 0.328 579 D N 0.774 121.039 120.400 -0.225 0.000 2.458 579 D HA 0.220 4.862 4.640 0.002 0.000 0.243 579 D C 1.446 177.702 176.300 -0.074 0.000 1.146 579 D CA 1.131 54.902 54.000 -0.381 0.000 0.877 579 D CB 0.743 40.990 40.800 -0.922 0.000 1.176 579 D HN 0.444 nan 8.370 nan 0.000 0.461 580 G N 2.841 111.693 108.800 0.087 0.000 3.192 580 G HA2 -0.081 3.881 3.960 0.002 0.000 0.239 580 G HA3 -0.081 3.881 3.960 0.002 0.000 0.239 580 G C 0.298 175.292 174.900 0.156 0.000 1.084 580 G CA -0.374 44.804 45.100 0.132 0.000 0.784 580 G HN 0.598 nan 8.290 nan 0.000 0.540 581 Y N 1.853 122.130 120.300 -0.039 0.000 2.532 581 Y HA 0.428 4.980 4.550 0.002 0.000 0.337 581 Y C 0.713 176.441 175.900 -0.287 0.000 1.274 581 Y CA 0.338 58.314 58.100 -0.206 0.000 1.817 581 Y CB -0.402 38.005 38.460 -0.087 0.000 1.769 581 Y HN 0.195 nan 8.280 nan 0.000 0.447 582 G N 2.951 111.416 108.800 -0.557 0.000 2.322 582 G HA2 0.095 4.057 3.960 0.002 0.000 0.295 582 G HA3 0.095 4.057 3.960 0.002 0.000 0.295 582 G C -1.626 173.135 174.900 -0.231 0.000 1.369 582 G CA -1.252 43.584 45.100 -0.440 0.000 0.821 582 G HN 0.270 nan 8.290 nan 0.000 0.536 583 E N 1.560 121.660 120.200 -0.167 0.000 2.480 583 E HA 0.153 4.504 4.350 0.002 0.000 0.258 583 E C -1.124 175.520 176.600 0.073 0.000 0.984 583 E CA -0.733 55.656 56.400 -0.019 0.000 0.930 583 E CB 1.577 31.349 29.700 0.120 0.000 0.936 583 E HN 0.237 nan 8.360 nan 0.000 0.466 584 P HA -0.135 nan 4.420 nan 0.000 0.217 584 P C -0.034 177.358 177.300 0.152 0.000 1.150 584 P CA 1.113 64.275 63.100 0.103 0.000 0.832 584 P CB 0.425 32.167 31.700 0.071 0.000 0.787 585 S N -2.876 112.944 115.700 0.200 0.000 2.720 585 S HA 0.483 4.954 4.470 0.002 0.000 0.287 585 S C 0.733 175.517 174.600 0.306 0.000 1.168 585 S CA -0.693 57.632 58.200 0.208 0.000 0.832 585 S CB 1.827 65.093 63.200 0.110 0.000 1.166 585 S HN -0.284 nan 8.310 nan 0.000 0.493 586 K N 0.625 121.084 120.400 0.098 0.000 2.288 586 K HA 0.054 4.376 4.320 0.002 0.000 0.201 586 K C 1.649 178.253 176.600 0.005 0.000 1.048 586 K CA 1.930 58.117 56.287 -0.166 0.000 0.956 586 K CB -0.587 31.677 32.500 -0.393 0.000 0.746 586 K HN 0.818 nan 8.250 nan 0.000 0.461 587 T N -2.727 111.863 114.554 0.059 0.000 3.092 587 T HA 0.254 4.605 4.350 0.002 0.000 0.258 587 T C -0.116 174.653 174.700 0.115 0.000 1.031 587 T CA -0.525 61.617 62.100 0.071 0.000 0.925 587 T CB 0.048 68.936 68.868 0.033 0.000 1.036 587 T HN 0.013 nan 8.240 nan 0.000 0.544 588 E N 0.946 121.240 120.200 0.157 0.000 2.238 588 E HA 0.605 4.956 4.350 0.002 0.000 0.267 588 E C -0.966 175.752 176.600 0.196 0.000 0.887 588 E CA -0.881 55.609 56.400 0.150 0.000 0.769 588 E CB 2.382 32.142 29.700 0.100 0.000 1.187 588 E HN 0.251 nan 8.360 nan 0.000 0.416 589 L N 1.926 123.281 121.223 0.220 0.000 2.421 589 L HA 0.312 4.653 4.340 0.002 0.000 0.263 589 L C -0.203 176.658 176.870 -0.015 0.000 1.122 589 L CA -0.871 54.079 54.840 0.184 0.000 0.804 589 L CB 0.306 42.544 42.059 0.298 0.000 1.150 589 L HN 0.556 nan 8.230 nan 0.000 0.457 590 Y N 0.519 120.347 120.300 -0.785 0.000 2.465 590 Y HA 0.071 4.623 4.550 0.002 0.000 0.331 590 Y C 0.201 175.681 175.900 -0.701 0.000 1.102 590 Y CA 0.136 57.648 58.100 -0.980 0.000 1.358 590 Y CB 0.241 37.392 38.460 -2.182 0.000 1.213 590 Y HN 0.477 nan 8.280 nan 0.000 0.525 591 H N 3.594 122.064 119.070 -1.000 0.000 2.885 591 H HA 0.321 4.878 4.556 0.003 0.000 0.254 591 H C 1.067 175.957 175.328 -0.730 0.000 1.185 591 H CA 0.113 55.766 56.048 -0.659 0.000 1.029 591 H CB 1.098 30.690 29.762 -0.284 0.000 1.743 591 H HN 0.900 nan 8.280 nan 0.000 0.632 592 G N -0.240 107.774 108.800 -1.311 0.000 2.705 592 G HA2 0.039 4.001 3.960 0.002 0.000 0.193 592 G HA3 0.039 4.001 3.960 0.002 0.000 0.193 592 G C 0.098 174.917 174.900 -0.136 0.000 1.015 592 G CA -0.177 44.610 45.100 -0.523 0.000 0.743 592 G HN 0.570 nan 8.290 nan 0.000 0.476 593 A N -0.114 122.611 122.820 -0.158 0.000 2.476 593 A HA 0.909 5.231 4.320 0.002 0.000 0.280 593 A C 0.322 177.945 177.584 0.065 0.000 1.081 593 A CA 0.652 52.727 52.037 0.062 0.000 0.753 593 A CB 0.982 20.007 19.000 0.041 0.000 1.248 593 A HN 1.863 nan 8.150 nan 0.000 0.424 594 G N 0.954 109.849 108.800 0.159 0.000 3.255 594 G HA2 0.572 4.533 3.960 0.002 0.000 0.161 594 G HA3 0.572 4.533 3.960 0.002 0.000 0.161 594 G C -0.891 174.066 174.900 0.095 0.000 1.173 594 G CA -0.262 44.904 45.100 0.111 0.000 1.106 594 G HN 0.698 nan 8.290 nan 0.000 0.650 595 K N 0.392 120.827 120.400 0.059 0.000 2.601 595 K HA 0.528 4.850 4.320 0.002 0.000 0.249 595 K C -0.069 176.531 176.600 -0.001 0.000 0.966 595 K CA -0.545 55.764 56.287 0.037 0.000 0.827 595 K CB 1.435 33.971 32.500 0.060 0.000 1.178 595 K HN 0.719 nan 8.250 nan 0.000 0.437 596 G N 3.797 112.594 108.800 -0.005 0.000 2.380 596 G HA2 0.101 4.062 3.960 0.002 0.000 0.242 596 G HA3 0.101 4.062 3.960 0.002 0.000 0.242 596 G C -0.163 174.822 174.900 0.142 0.000 1.298 596 G CA -0.310 44.807 45.100 0.029 0.000 0.878 596 G HN 0.491 nan 8.290 nan 0.000 0.542 597 R N 0.548 121.103 120.500 0.093 0.000 2.893 597 R HA 0.450 4.791 4.340 0.002 0.000 0.223 597 R C -0.348 175.950 176.300 -0.004 0.000 1.433 597 R CA -1.152 54.960 56.100 0.021 0.000 1.063 597 R CB -0.110 30.021 30.300 -0.281 0.000 1.758 597 R HN 0.303 nan 8.270 nan 0.000 0.524 598 L N 0.855 121.925 121.223 -0.255 0.000 2.380 598 L HA 0.178 4.520 4.340 0.002 0.000 0.273 598 L C -0.513 176.269 176.870 -0.147 0.000 1.138 598 L CA 0.154 54.829 54.840 -0.275 0.000 0.832 598 L CB 0.018 41.825 42.059 -0.419 0.000 1.124 598 L HN 0.349 nan 8.230 nan 0.000 0.454 599 W N 5.258 126.350 121.300 -0.346 0.000 2.294 599 W HA 0.435 5.097 4.660 0.002 0.000 0.314 599 W C -1.286 175.052 176.519 -0.303 0.000 1.044 599 W CA -1.934 55.217 57.345 -0.325 0.000 1.284 599 W CB 0.720 30.013 29.460 -0.278 0.000 1.231 599 W HN 0.445 nan 8.180 nan 0.000 0.419 600 P HA -0.241 nan 4.420 nan 0.000 0.221 600 P C 1.702 178.998 177.300 -0.006 0.000 1.145 600 P CA 1.042 64.026 63.100 -0.194 0.000 0.795 600 P CB 0.455 31.994 31.700 -0.269 0.000 0.775 601 L N -0.202 120.991 121.223 -0.050 0.000 2.042 601 L HA -0.150 4.191 4.340 0.002 0.000 0.210 601 L C 2.302 179.126 176.870 -0.075 0.000 1.076 601 L CA 1.842 56.607 54.840 -0.126 0.000 0.749 601 L CB -1.462 40.458 42.059 -0.232 0.000 0.893 601 L HN -0.150 nan 8.230 nan 0.000 0.432 602 L N -1.314 119.925 121.223 0.027 0.000 2.291 602 L HA -0.115 4.226 4.340 0.002 0.000 0.214 602 L C 2.206 179.121 176.870 0.075 0.000 1.120 602 L CA 1.088 55.937 54.840 0.016 0.000 0.799 602 L CB -0.932 41.173 42.059 0.078 0.000 0.925 602 L HN 0.286 nan 8.230 nan 0.000 0.446 603 T N -0.259 114.453 114.554 0.263 0.000 2.812 603 T HA -0.076 4.275 4.350 0.002 0.000 0.264 603 T C 1.895 176.756 174.700 0.268 0.000 1.042 603 T CA 1.311 63.696 62.100 0.475 0.000 1.140 603 T CB -0.283 68.933 68.868 0.580 0.000 0.870 603 T HN 0.533 nan 8.240 nan 0.000 0.445 604 G N 1.218 110.109 108.800 0.152 0.000 2.402 604 G HA2 -0.163 3.798 3.960 0.002 0.000 0.216 604 G HA3 -0.163 3.798 3.960 0.002 0.000 0.216 604 G C 1.464 176.339 174.900 -0.041 0.000 1.162 604 G CA 0.494 45.639 45.100 0.075 0.000 0.777 604 G HN 0.480 nan 8.290 nan 0.000 0.539 605 E N -0.036 120.108 120.200 -0.093 0.000 2.110 605 E HA -0.141 4.210 4.350 0.002 0.000 0.193 605 E C 2.585 179.049 176.600 -0.226 0.000 0.988 605 E CA 0.862 57.176 56.400 -0.144 0.000 0.804 605 E CB -0.033 29.572 29.700 -0.158 0.000 0.745 605 E HN 0.265 nan 8.360 nan 0.000 0.458 606 R N 0.875 121.167 120.500 -0.345 0.000 2.092 606 R HA -0.071 4.270 4.340 0.002 0.000 0.231 606 R C 2.166 178.124 176.300 -0.570 0.000 1.119 606 R CA 1.749 57.540 56.100 -0.515 0.000 0.970 606 R CB -0.971 28.827 30.300 -0.836 0.000 0.864 606 R HN 0.169 nan 8.270 nan 0.000 0.440 607 G N 0.266 108.705 108.800 -0.602 0.000 2.418 607 G HA2 -0.220 3.741 3.960 0.002 0.000 0.217 607 G HA3 -0.220 3.741 3.960 0.002 0.000 0.217 607 G C 1.297 176.025 174.900 -0.287 0.000 1.158 607 G CA 0.925 45.672 45.100 -0.587 0.000 0.771 607 G HN 0.210 nan 8.290 nan 0.000 0.545 608 M N -0.479 119.009 119.600 -0.187 0.000 2.175 608 M HA 0.016 4.497 4.480 0.002 0.000 0.264 608 M C 2.303 178.518 176.300 -0.140 0.000 1.063 608 M CA 0.741 55.962 55.300 -0.131 0.000 1.119 608 M CB -1.107 31.444 32.600 -0.081 0.000 1.377 608 M HN 0.480 nan 8.290 nan 0.000 0.415 609 Y N 1.690 121.846 120.300 -0.239 0.000 2.200 609 Y HA -0.182 4.370 4.550 0.002 0.000 0.290 609 Y C 2.137 177.934 175.900 -0.173 0.000 1.137 609 Y CA 1.583 59.557 58.100 -0.211 0.000 1.163 609 Y CB -0.079 38.219 38.460 -0.271 0.000 0.988 609 Y HN 0.178 nan 8.280 nan 0.000 0.518 610 E N 0.829 120.797 120.200 -0.387 0.000 2.118 610 E HA -0.219 4.133 4.350 0.002 0.000 0.195 610 E C 2.303 178.717 176.600 -0.311 0.000 0.992 610 E CA 1.678 57.858 56.400 -0.366 0.000 0.804 610 E CB -0.408 29.166 29.700 -0.209 0.000 0.741 610 E HN 0.651 nan 8.360 nan 0.000 0.458 611 I N 0.998 121.425 120.570 -0.238 0.000 2.179 611 I HA -0.259 3.913 4.170 0.002 0.000 0.242 611 I C 2.483 178.480 176.117 -0.200 0.000 1.088 611 I CA 1.073 62.275 61.300 -0.163 0.000 1.357 611 I CB -0.404 37.521 38.000 -0.125 0.000 1.051 611 I HN 0.001 nan 8.210 nan 0.000 0.409 612 A N 0.750 123.409 122.820 -0.268 0.000 1.978 612 A HA -0.139 4.183 4.320 0.002 0.000 0.220 612 A C 2.308 179.730 177.584 -0.269 0.000 1.170 612 A CA 1.813 53.704 52.037 -0.244 0.000 0.636 612 A CB -0.660 18.201 19.000 -0.232 0.000 0.810 612 A HN 0.455 nan 8.150 nan 0.000 0.448 613 A N -1.580 120.978 122.820 -0.436 0.000 2.259 613 A HA 0.420 4.741 4.320 0.002 0.000 0.208 613 A C 1.676 179.163 177.584 -0.163 0.000 1.201 613 A CA 1.066 52.906 52.037 -0.328 0.000 0.824 613 A CB -1.141 17.572 19.000 -0.478 0.000 0.838 613 A HN 1.908 nan 8.150 nan 0.000 0.485 614 G N -0.387 108.329 108.800 -0.141 0.000 2.176 614 G HA2 -0.258 3.703 3.960 0.002 0.000 0.252 614 G HA3 -0.258 3.703 3.960 0.002 0.000 0.252 614 G C 0.078 174.938 174.900 -0.067 0.000 1.024 614 G CA 0.756 45.805 45.100 -0.086 0.000 0.755 614 G HN 0.617 nan 8.290 nan 0.000 0.507 615 K N -0.450 119.909 120.400 -0.069 0.000 2.295 615 K HA 0.468 4.789 4.320 0.002 0.000 0.239 615 K C -0.662 175.944 176.600 0.009 0.000 0.991 615 K CA -1.088 55.187 56.287 -0.020 0.000 0.845 615 K CB 1.233 33.737 32.500 0.007 0.000 1.197 615 K HN 0.058 nan 8.250 nan 0.000 0.441 616 D N 0.427 120.852 120.400 0.042 0.000 2.424 616 D HA 0.126 4.767 4.640 0.002 0.000 0.244 616 D C -0.085 176.293 176.300 0.129 0.000 1.134 616 D CA 0.180 54.222 54.000 0.069 0.000 0.881 616 D CB 1.254 42.089 40.800 0.058 0.000 1.191 616 D HN 0.578 nan 8.370 nan 0.000 0.445 617 A N 2.749 125.645 122.820 0.126 0.000 2.431 617 A HA 0.095 4.417 4.320 0.002 0.000 0.239 617 A C 1.872 179.590 177.584 0.224 0.000 1.230 617 A CA -0.030 52.148 52.037 0.235 0.000 0.928 617 A CB -0.039 19.014 19.000 0.088 0.000 1.006 617 A HN 0.607 nan 8.150 nan 0.000 0.520 618 T N 2.265 116.885 114.554 0.110 0.000 2.653 618 T HA -0.129 4.222 4.350 0.002 0.000 0.268 618 T C -0.253 174.474 174.700 0.045 0.000 1.035 618 T CA 2.124 64.261 62.100 0.061 0.000 1.154 618 T CB -1.048 67.838 68.868 0.030 0.000 0.862 618 T HN 0.502 nan 8.240 nan 0.000 0.441 619 P HA -0.101 nan 4.420 nan 0.000 0.220 619 P C 0.722 177.886 177.300 -0.226 0.000 1.148 619 P CA 1.301 64.308 63.100 -0.155 0.000 0.803 619 P CB -0.209 31.340 31.700 -0.252 0.000 0.782 620 Y N -0.547 119.796 120.300 0.073 0.000 2.337 620 Y HA -0.071 4.480 4.550 0.002 0.000 0.293 620 Y C 2.655 178.618 175.900 0.106 0.000 1.123 620 Y CA 0.558 58.723 58.100 0.108 0.000 1.201 620 Y CB -1.245 37.281 38.460 0.110 0.000 1.011 620 Y HN -0.269 nan 8.280 nan 0.000 0.545 621 V N 0.221 120.260 119.914 0.208 0.000 2.307 621 V HA -0.256 3.866 4.120 0.002 0.000 0.245 621 V C 2.260 178.476 176.094 0.205 0.000 1.045 621 V CA 1.656 64.079 62.300 0.207 0.000 1.024 621 V CB -0.406 31.507 31.823 0.149 0.000 0.651 621 V HN 0.279 nan 8.190 nan 0.000 0.449 622 K N 0.457 120.912 120.400 0.091 0.000 2.097 622 K HA -0.095 4.227 4.320 0.002 0.000 0.206 622 K C 2.260 178.814 176.600 -0.076 0.000 1.049 622 K CA 1.594 57.889 56.287 0.015 0.000 0.933 622 K CB -0.836 31.645 32.500 -0.031 0.000 0.717 622 K HN 0.484 nan 8.250 nan 0.000 0.442 623 A N 1.326 124.078 122.820 -0.113 0.000 1.877 623 A HA -0.123 4.198 4.320 0.002 0.000 0.216 623 A C 2.296 179.692 177.584 -0.313 0.000 1.186 623 A CA 1.566 53.413 52.037 -0.316 0.000 0.620 623 A CB -0.421 18.453 19.000 -0.211 0.000 0.822 623 A HN 0.196 nan 8.150 nan 0.000 0.443 624 M N -0.844 118.800 119.600 0.072 0.000 2.159 624 M HA -0.188 4.293 4.480 0.002 0.000 0.263 624 M C 2.019 178.334 176.300 0.025 0.000 1.063 624 M CA 1.688 57.117 55.300 0.214 0.000 1.110 624 M CB -0.522 32.290 32.600 0.354 0.000 1.374 624 M HN 0.519 nan 8.290 nan 0.000 0.411 625 E N 0.401 120.584 120.200 -0.027 0.000 2.077 625 E HA -0.182 4.169 4.350 0.002 0.000 0.193 625 E C 1.889 178.416 176.600 -0.121 0.000 0.989 625 E CA 1.120 57.445 56.400 -0.124 0.000 0.800 625 E CB -0.023 29.647 29.700 -0.051 0.000 0.746 625 E HN 0.500 nan 8.360 nan 0.000 0.452 626 K N -0.035 120.263 120.400 -0.171 0.000 2.217 626 K HA -0.037 4.285 4.320 0.002 0.000 0.202 626 K C 1.755 178.277 176.600 -0.129 0.000 1.051 626 K CA 0.733 56.907 56.287 -0.189 0.000 0.952 626 K CB -0.027 32.302 32.500 -0.285 0.000 0.736 626 K HN 0.125 nan 8.250 nan 0.000 0.453 627 F N 1.791 121.703 119.950 -0.065 0.000 2.325 627 F HA -0.022 4.507 4.527 0.002 0.000 0.299 627 F C 1.357 177.095 175.800 -0.103 0.000 1.090 627 F CA -0.598 57.355 58.000 -0.079 0.000 1.392 627 F CB 0.046 38.997 39.000 -0.083 0.000 1.053 627 F HN -0.047 nan 8.300 nan 0.000 0.521 628 A N 1.413 124.263 122.820 0.050 0.000 2.425 628 A HA 0.166 4.487 4.320 0.002 0.000 0.242 628 A C 0.179 177.759 177.584 -0.006 0.000 1.077 628 A CA -0.518 51.504 52.037 -0.024 0.000 0.781 628 A CB -0.023 18.923 19.000 -0.090 0.000 1.020 628 A HN 0.414 nan 8.150 nan 0.000 0.494 629 N N 0.202 118.897 118.700 -0.008 0.000 2.374 629 N HA 0.056 4.797 4.740 0.002 0.000 0.284 629 N C 0.708 176.217 175.510 -0.000 0.000 1.280 629 N CA 0.293 53.342 53.050 -0.001 0.000 0.963 629 N CB 0.039 38.521 38.487 -0.007 0.000 1.141 629 N HN 0.734 nan 8.380 nan 0.000 0.565 630 E N -1.487 118.717 120.200 0.007 0.000 2.160 630 E HA -0.101 4.251 4.350 0.002 0.000 0.195 630 E C 1.342 177.960 176.600 0.029 0.000 0.991 630 E CA 1.264 57.673 56.400 0.014 0.000 0.810 630 E CB -0.689 29.023 29.700 0.019 0.000 0.742 630 E HN 0.781 nan 8.360 nan 0.000 0.466 631 G N -0.788 108.032 108.800 0.034 0.000 3.088 631 G HA2 0.143 4.104 3.960 0.002 0.000 0.212 631 G HA3 0.143 4.104 3.960 0.002 0.000 0.212 631 G C 0.967 175.899 174.900 0.054 0.000 1.173 631 G CA 0.201 45.345 45.100 0.073 0.000 0.779 631 G HN 0.475 nan 8.290 nan 0.000 0.540 632 G N -0.173 108.637 108.800 0.018 0.000 2.143 632 G HA2 -0.273 3.689 3.960 0.002 0.000 0.248 632 G HA3 -0.273 3.689 3.960 0.002 0.000 0.248 632 G C 0.252 175.187 174.900 0.058 0.000 0.991 632 G CA 0.199 45.299 45.100 0.000 0.000 0.689 632 G HN 0.480 nan 8.290 nan 0.000 0.522 633 I N 0.954 121.558 120.570 0.057 0.000 2.353 633 I HA 0.433 4.604 4.170 0.002 0.000 0.293 633 I C 0.678 176.843 176.117 0.080 0.000 0.992 633 I CA -0.854 60.524 61.300 0.130 0.000 1.268 633 I CB 1.216 39.228 38.000 0.021 0.000 1.387 633 I HN -0.021 nan 8.210 nan 0.000 0.478 634 I N 5.746 126.370 120.570 0.089 0.000 2.336 634 I HA 0.197 4.368 4.170 0.002 0.000 0.292 634 I C 0.636 176.635 176.117 -0.198 0.000 0.991 634 I CA -0.229 60.941 61.300 -0.218 0.000 1.227 634 I CB 1.494 39.148 38.000 -0.577 0.000 1.366 634 I HN 0.613 nan 8.210 nan 0.000 0.466 635 S N 3.840 119.396 115.700 -0.239 0.000 2.669 635 S HA 0.192 4.664 4.470 0.002 0.000 0.270 635 S C 0.914 175.250 174.600 -0.440 0.000 1.225 635 S CA -0.534 57.470 58.200 -0.327 0.000 0.991 635 S CB 1.715 64.709 63.200 -0.344 0.000 0.987 635 S HN 0.776 nan 8.310 nan 0.000 0.552 636 E N 0.283 120.140 120.200 -0.571 0.000 2.106 636 E HA -0.096 4.256 4.350 0.002 0.000 0.192 636 E C 0.156 176.104 176.600 -1.087 0.000 0.984 636 E CA 0.870 56.779 56.400 -0.819 0.000 0.806 636 E CB 0.095 29.256 29.700 -0.898 0.000 0.750 636 E HN 0.754 nan 8.360 nan 0.000 0.458 637 Q N -0.002 119.271 119.800 -0.879 0.000 2.421 637 Q HA 0.479 4.821 4.340 0.002 0.000 0.280 637 Q C -1.235 174.407 176.000 -0.598 0.000 1.085 637 Q CA -0.858 54.462 55.803 -0.805 0.000 0.807 637 Q CB 2.949 31.217 28.738 -0.782 0.000 1.405 637 Q HN 0.102 nan 8.270 nan 0.000 0.419 638 V N -2.711 116.877 119.914 -0.544 0.000 3.040 638 V HA 0.647 4.769 4.120 0.002 0.000 0.312 638 V C -1.332 174.560 176.094 -0.337 0.000 1.115 638 V CA -1.092 60.958 62.300 -0.417 0.000 0.998 638 V CB 1.244 32.822 31.823 -0.408 0.000 1.042 638 V HN 0.777 nan 8.190 nan 0.000 0.433 639 W N 1.125 122.352 121.300 -0.121 0.000 2.170 639 W HA 0.484 5.146 4.660 0.003 0.000 0.336 639 W C 1.318 177.792 176.519 -0.075 0.000 1.283 639 W CA 0.229 57.531 57.345 -0.071 0.000 1.224 639 W CB 0.569 30.011 29.460 -0.031 0.000 1.132 639 W HN 0.746 nan 8.180 nan 0.000 0.571 640 E N 0.853 121.182 120.200 0.216 0.000 2.107 640 E HA -0.224 4.128 4.350 0.002 0.000 0.191 640 E C 1.775 178.431 176.600 0.094 0.000 0.982 640 E CA 1.667 58.117 56.400 0.084 0.000 0.809 640 E CB -0.172 29.578 29.700 0.084 0.000 0.756 640 E HN 0.492 nan 8.360 nan 0.000 0.459 641 D N -0.364 120.110 120.400 0.123 0.000 2.162 641 D HA -0.104 4.537 4.640 0.002 0.000 0.203 641 D C 1.754 178.082 176.300 0.048 0.000 0.967 641 D CA 1.871 55.905 54.000 0.057 0.000 0.840 641 D CB -0.535 40.273 40.800 0.013 0.000 0.972 641 D HN 0.308 nan 8.370 nan 0.000 0.482 642 T N -5.185 109.418 114.554 0.082 0.000 2.971 642 T HA 0.415 4.766 4.350 0.002 0.000 0.252 642 T C 1.748 176.524 174.700 0.127 0.000 1.022 642 T CA 0.574 62.716 62.100 0.071 0.000 0.980 642 T CB 0.307 69.195 68.868 0.034 0.000 1.044 642 T HN 0.365 nan 8.240 nan 0.000 0.501 643 G N 1.654 110.568 108.800 0.190 0.000 2.168 643 G HA2 -0.221 3.740 3.960 0.002 0.000 0.263 643 G HA3 -0.221 3.740 3.960 0.002 0.000 0.263 643 G C -0.032 175.019 174.900 0.251 0.000 0.977 643 G CA 0.440 45.706 45.100 0.276 0.000 0.659 643 G HN 0.648 nan 8.290 nan 0.000 0.533 644 L N 0.727 122.081 121.223 0.218 0.000 2.439 644 L HA 0.426 4.767 4.340 0.002 0.000 0.261 644 L C -1.680 175.305 176.870 0.191 0.000 1.153 644 L CA -2.282 52.673 54.840 0.193 0.000 0.808 644 L CB 0.794 42.957 42.059 0.173 0.000 1.126 644 L HN -0.124 nan 8.230 nan 0.000 0.460 645 P HA 0.037 nan 4.420 nan 0.000 0.268 645 P C -0.369 176.916 177.300 -0.025 0.000 1.205 645 P CA -0.209 62.856 63.100 -0.058 0.000 0.771 645 P CB 0.579 32.233 31.700 -0.078 0.000 0.858 646 T N -1.660 112.706 114.554 -0.313 0.000 2.891 646 T HA 0.221 4.572 4.350 0.002 0.000 0.294 646 T C 0.454 175.038 174.700 -0.194 0.000 1.065 646 T CA -0.194 61.689 62.100 -0.362 0.000 0.936 646 T CB 0.119 68.518 68.868 -0.782 0.000 1.415 646 T HN 0.191 nan 8.240 nan 0.000 0.572 647 D N 0.401 120.723 120.400 -0.131 0.000 2.370 647 D HA 0.212 4.854 4.640 0.002 0.000 0.230 647 D C 0.734 176.479 176.300 -0.924 0.000 1.143 647 D CA -0.214 53.612 54.000 -0.291 0.000 0.834 647 D CB -0.208 40.586 40.800 -0.011 0.000 0.944 647 D HN 0.637 nan 8.370 nan 0.000 0.504 648 S N -0.672 114.485 115.700 -0.905 0.000 2.606 648 S HA 0.482 4.953 4.470 0.002 0.000 0.257 648 S C 0.718 174.722 174.600 -0.995 0.000 1.327 648 S CA -0.761 56.672 58.200 -1.279 0.000 0.984 648 S CB 1.079 63.753 63.200 -0.876 0.000 0.941 648 S HN 0.208 nan 8.310 nan 0.000 0.576 649 A N 0.850 123.049 122.820 -1.035 0.000 2.531 649 A HA 0.492 4.814 4.320 0.002 0.000 0.236 649 A C 0.610 177.841 177.584 -0.588 0.000 1.062 649 A CA 0.247 51.756 52.037 -0.879 0.000 0.760 649 A CB -0.779 17.440 19.000 -1.301 0.000 0.995 649 A HN 2.006 nan 8.150 nan 0.000 0.501 650 S N 1.953 117.393 115.700 -0.433 0.000 2.560 650 S HA 0.626 5.097 4.470 0.002 0.000 0.283 650 S C -3.440 171.035 174.600 -0.207 0.000 1.141 650 S CA -1.040 56.994 58.200 -0.277 0.000 0.902 650 S CB 2.023 65.074 63.200 -0.247 0.000 1.104 650 S HN 0.572 nan 8.310 nan 0.000 0.454 651 P HA 0.290 nan 4.420 nan 0.000 0.276 651 P C -0.730 176.545 177.300 -0.042 0.000 1.230 651 P CA -0.467 62.610 63.100 -0.039 0.000 0.776 651 P CB 0.701 32.381 31.700 -0.033 0.000 0.888 652 L N 4.385 125.594 121.223 -0.024 0.000 2.312 652 L HA 0.206 4.548 4.340 0.002 0.000 0.287 652 L C 1.302 178.253 176.870 0.136 0.000 1.091 652 L CA 0.049 54.880 54.840 -0.015 0.000 0.846 652 L CB -0.617 41.367 42.059 -0.126 0.000 1.219 652 L HN 0.160 nan 8.230 nan 0.000 0.439 653 N N 3.701 122.496 118.700 0.158 0.000 2.137 653 N HA -0.270 4.471 4.740 0.002 0.000 0.190 653 N C 1.207 176.873 175.510 0.260 0.000 1.017 653 N CA 1.416 54.578 53.050 0.186 0.000 0.859 653 N CB -0.408 38.157 38.487 0.131 0.000 1.002 653 N HN 0.822 nan 8.380 nan 0.000 0.428 654 W N 2.106 123.443 121.300 0.062 0.000 2.363 654 W HA 0.040 4.701 4.660 0.003 0.000 0.296 654 W C 2.206 178.736 176.519 0.019 0.000 1.212 654 W CA 1.468 58.846 57.345 0.054 0.000 1.260 654 W CB -0.837 28.669 29.460 0.076 0.000 1.131 654 W HN 0.082 nan 8.180 nan 0.000 0.530 655 A N -0.763 122.104 122.820 0.078 0.000 1.930 655 A HA -0.208 4.114 4.320 0.002 0.000 0.217 655 A C 1.961 179.510 177.584 -0.059 0.000 1.175 655 A CA 1.635 53.608 52.037 -0.107 0.000 0.627 655 A CB -1.215 17.657 19.000 -0.214 0.000 0.815 655 A HN 0.416 nan 8.150 nan 0.000 0.443 656 H N -0.531 118.570 119.070 0.052 0.000 2.389 656 H HA 0.011 4.568 4.556 0.003 0.000 0.299 656 H C 2.529 177.912 175.328 0.092 0.000 1.081 656 H CA 1.321 57.403 56.048 0.057 0.000 1.345 656 H CB -0.228 29.527 29.762 -0.013 0.000 1.393 656 H HN 0.530 nan 8.280 nan 0.000 0.520 657 A N 0.961 123.892 122.820 0.185 0.000 1.898 657 A HA -0.175 4.146 4.320 0.002 0.000 0.216 657 A C 2.363 180.027 177.584 0.133 0.000 1.181 657 A CA 1.743 53.849 52.037 0.115 0.000 0.620 657 A CB -0.236 18.838 19.000 0.124 0.000 0.819 657 A HN 0.318 nan 8.150 nan 0.000 0.442 658 E N -1.050 119.241 120.200 0.153 0.000 2.077 658 E HA -0.212 4.140 4.350 0.002 0.000 0.193 658 E C 1.740 178.384 176.600 0.073 0.000 0.989 658 E CA 1.637 58.091 56.400 0.090 0.000 0.800 658 E CB -0.529 29.175 29.700 0.007 0.000 0.746 658 E HN 0.688 nan 8.360 nan 0.000 0.452 659 Y N -0.124 120.188 120.300 0.019 0.000 2.145 659 Y HA -0.208 4.344 4.550 0.002 0.000 0.286 659 Y C 2.016 177.974 175.900 0.096 0.000 1.145 659 Y CA 1.794 59.917 58.100 0.039 0.000 1.148 659 Y CB -0.342 38.114 38.460 -0.007 0.000 0.981 659 Y HN -0.054 nan 8.280 nan 0.000 0.507 660 V N 0.826 120.793 119.914 0.088 0.000 2.255 660 V HA -0.358 3.763 4.120 0.002 0.000 0.247 660 V C 2.383 178.492 176.094 0.025 0.000 1.051 660 V CA 2.363 64.728 62.300 0.108 0.000 1.018 660 V CB -0.688 31.233 31.823 0.164 0.000 0.641 660 V HN 0.486 nan 8.190 nan 0.000 0.445 661 I N -0.658 119.918 120.570 0.010 0.000 2.286 661 I HA -0.231 3.940 4.170 0.002 0.000 0.248 661 I C 2.342 178.403 176.117 -0.093 0.000 1.115 661 I CA 1.271 62.562 61.300 -0.017 0.000 1.392 661 I CB -0.320 37.686 38.000 0.011 0.000 1.065 661 I HN 0.322 nan 8.210 nan 0.000 0.418 662 L N 0.443 121.592 121.223 -0.123 0.000 2.027 662 L HA -0.197 4.145 4.340 0.002 0.000 0.206 662 L C 2.313 179.040 176.870 -0.238 0.000 1.074 662 L CA 1.717 56.465 54.840 -0.153 0.000 0.745 662 L CB -0.882 41.110 42.059 -0.112 0.000 0.898 662 L HN 0.172 nan 8.230 nan 0.000 0.433 663 F N 0.731 120.361 119.950 -0.534 0.000 2.065 663 F HA -0.256 4.272 4.527 0.002 0.000 0.298 663 F C 2.268 177.726 175.800 -0.569 0.000 1.112 663 F CA 2.034 59.672 58.000 -0.603 0.000 1.212 663 F CB -0.823 37.686 39.000 -0.818 0.000 0.975 663 F HN 0.163 nan 8.300 nan 0.000 0.476 664 A N -0.723 121.710 122.820 -0.644 0.000 1.898 664 A HA -0.115 4.206 4.320 0.002 0.000 0.216 664 A C 2.341 179.624 177.584 -0.502 0.000 1.181 664 A CA 1.816 53.353 52.037 -0.832 0.000 0.620 664 A CB -1.229 17.510 19.000 -0.435 0.000 0.819 664 A HN 0.444 nan 8.150 nan 0.000 0.442 665 S N -0.033 115.476 115.700 -0.319 0.000 2.382 665 S HA -0.162 4.310 4.470 0.002 0.000 0.228 665 S C 1.922 176.356 174.600 -0.277 0.000 1.027 665 S CA 1.139 59.201 58.200 -0.230 0.000 0.991 665 S CB -0.517 62.591 63.200 -0.153 0.000 0.823 665 S HN 0.771 nan 8.310 nan 0.000 0.469 666 N N 0.759 119.265 118.700 -0.323 0.000 2.381 666 N HA -0.015 4.726 4.740 0.002 0.000 0.182 666 N C 1.519 176.752 175.510 -0.461 0.000 1.025 666 N CA 0.744 53.619 53.050 -0.292 0.000 0.888 666 N CB -0.019 38.326 38.487 -0.236 0.000 0.965 666 N HN 0.396 nan 8.380 nan 0.000 0.438 667 I N 0.573 120.784 120.570 -0.598 0.000 2.400 667 I HA -0.073 4.098 4.170 0.002 0.000 0.248 667 I C 1.901 177.605 176.117 -0.688 0.000 1.109 667 I CA 0.577 61.489 61.300 -0.647 0.000 1.425 667 I CB -0.018 37.577 38.000 -0.674 0.000 1.094 667 I HN -0.015 nan 8.210 nan 0.000 0.425 668 E N -0.142 119.776 120.200 -0.471 0.000 2.285 668 E HA -0.107 4.244 4.350 0.002 0.000 0.194 668 E C 0.021 176.481 176.600 -0.234 0.000 0.997 668 E CA 0.481 56.707 56.400 -0.290 0.000 0.845 668 E CB -0.053 29.566 29.700 -0.135 0.000 0.782 668 E HN 0.399 nan 8.360 nan 0.000 0.491 669 H N -0.285 118.715 119.070 -0.117 0.000 2.941 669 H HA -0.149 4.409 4.556 0.003 0.000 0.279 669 H C -0.010 175.255 175.328 -0.105 0.000 1.247 669 H CA 1.392 57.378 56.048 -0.104 0.000 1.129 669 H CB -2.044 27.668 29.762 -0.083 0.000 1.313 669 H HN 0.328 nan 8.280 nan 0.000 0.384 670 K N -2.213 118.158 120.400 -0.048 0.000 2.597 670 K HA 0.531 4.852 4.320 0.002 0.000 0.282 670 K C -0.792 175.748 176.600 -0.099 0.000 0.975 670 K CA -0.919 55.321 56.287 -0.078 0.000 0.867 670 K CB 1.659 34.114 32.500 -0.075 0.000 1.465 670 K HN -0.084 nan 8.250 nan 0.000 0.417 671 V N 3.862 123.708 119.914 -0.112 0.000 2.364 671 V HA 0.021 4.142 4.120 0.002 0.000 0.252 671 V C 1.522 177.574 176.094 -0.070 0.000 1.075 671 V CA -0.108 62.137 62.300 -0.093 0.000 1.033 671 V CB -0.412 31.355 31.823 -0.094 0.000 1.116 671 V HN 0.698 nan 8.190 nan 0.000 0.488 672 L N 3.025 124.216 121.223 -0.054 0.000 2.265 672 L HA -0.096 4.246 4.340 0.002 0.000 0.215 672 L C 1.831 178.697 176.870 -0.008 0.000 1.117 672 L CA 1.174 55.997 54.840 -0.028 0.000 0.782 672 L CB -0.217 41.834 42.059 -0.014 0.000 0.914 672 L HN 0.802 nan 8.230 nan 0.000 0.441 673 D N -1.394 119.004 120.400 -0.002 0.000 2.368 673 D HA -0.003 4.639 4.640 0.002 0.000 0.218 673 D C 0.668 176.999 176.300 0.052 0.000 1.112 673 D CA -0.171 53.837 54.000 0.014 0.000 0.834 673 D CB 0.033 40.830 40.800 -0.005 0.000 0.953 673 D HN 0.168 nan 8.370 nan 0.000 0.505 674 M N 2.264 121.887 119.600 0.039 0.000 2.146 674 M HA 0.279 4.761 4.480 0.002 0.000 0.357 674 M C -2.426 173.933 176.300 0.099 0.000 1.261 674 M CA -1.729 53.611 55.300 0.066 0.000 1.106 674 M CB 1.220 33.828 32.600 0.013 0.000 1.612 674 M HN -0.268 nan 8.290 nan 0.000 0.470 675 P HA 0.058 nan 4.420 nan 0.000 0.269 675 P C -0.573 176.814 177.300 0.146 0.000 1.252 675 P CA -0.106 63.111 63.100 0.195 0.000 0.780 675 P CB 0.342 32.121 31.700 0.133 0.000 0.829 676 D N 4.440 124.944 120.400 0.174 0.000 2.158 676 D HA -0.232 4.409 4.640 0.002 0.000 0.197 676 D C 1.706 178.081 176.300 0.125 0.000 0.995 676 D CA 1.212 55.304 54.000 0.154 0.000 0.846 676 D CB -0.836 40.044 40.800 0.133 0.000 0.941 676 D HN 0.525 nan 8.370 nan 0.000 0.456 677 I N -1.097 119.472 120.570 -0.001 0.000 2.493 677 I HA -0.185 3.987 4.170 0.002 0.000 0.254 677 I C 1.890 177.967 176.117 -0.067 0.000 1.160 677 I CA 0.717 61.967 61.300 -0.084 0.000 1.445 677 I CB -0.089 37.752 38.000 -0.265 0.000 1.086 677 I HN -0.132 nan 8.210 nan 0.000 0.433 678 V N 1.004 120.907 119.914 -0.018 0.000 2.283 678 V HA -0.275 3.846 4.120 0.002 0.000 0.243 678 V C 2.509 178.700 176.094 0.162 0.000 1.039 678 V CA 2.229 64.592 62.300 0.104 0.000 1.016 678 V CB -1.142 30.764 31.823 0.138 0.000 0.650 678 V HN 0.593 nan 8.190 nan 0.000 0.449 679 Y N 1.447 121.781 120.300 0.057 0.000 2.128 679 Y HA -0.275 4.277 4.550 0.002 0.000 0.284 679 Y C 2.510 178.423 175.900 0.021 0.000 1.154 679 Y CA 1.999 60.134 58.100 0.059 0.000 1.149 679 Y CB -0.266 38.218 38.460 0.041 0.000 0.976 679 Y HN 0.135 nan 8.280 nan 0.000 0.505 680 K N -0.248 120.143 120.400 -0.015 0.000 2.147 680 K HA -0.200 4.121 4.320 0.002 0.000 0.205 680 K C 2.363 178.830 176.600 -0.221 0.000 1.049 680 K CA 1.542 57.756 56.287 -0.122 0.000 0.936 680 K CB -0.180 32.327 32.500 0.012 0.000 0.722 680 K HN 0.293 nan 8.250 nan 0.000 0.446 681 R N -0.549 119.783 120.500 -0.279 0.000 2.127 681 R HA -0.067 4.274 4.340 0.002 0.000 0.217 681 R C 1.161 177.115 176.300 -0.577 0.000 1.074 681 R CA 1.228 57.033 56.100 -0.492 0.000 0.991 681 R CB 0.234 30.081 30.300 -0.754 0.000 0.895 681 R HN 0.203 nan 8.270 nan 0.000 0.450 682 Y N -2.299 117.930 120.300 -0.118 0.000 2.581 682 Y HA 0.167 4.718 4.550 0.002 0.000 0.271 682 Y C 1.713 177.522 175.900 -0.151 0.000 1.100 682 Y CA -0.066 57.972 58.100 -0.102 0.000 1.281 682 Y CB 0.652 39.080 38.460 -0.053 0.000 1.237 682 Y HN -0.203 nan 8.280 nan 0.000 0.514 683 V N -0.610 119.220 119.914 -0.140 0.000 3.523 683 V HA 0.318 4.440 4.120 0.002 0.000 0.255 683 V C 1.416 177.195 176.094 -0.524 0.000 1.226 683 V CA 0.266 62.407 62.300 -0.265 0.000 1.092 683 V CB -0.665 31.064 31.823 -0.156 0.000 0.817 683 V HN 0.238 nan 8.190 nan 0.000 0.458 684 A N 0.000 122.346 122.820 -0.791 0.000 2.254 684 A HA 0.000 4.322 4.320 0.002 0.000 0.244 684 A CA 0.000 51.691 52.037 -0.576 0.000 0.836 684 A CB 0.000 18.769 19.000 -0.386 0.000 0.831 684 A HN 0.000 nan 8.150 nan 0.000 0.486