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 2q6t_1_B DATA FIRST_RESID 2 DATA SEQUENCE EGPIPPHSLE AEQSVLGSIL LDSDVMDEVE GLLPSPEAFY AEAHRKIYAA DATA SEQUENCE MQALRSQGRP VDLVTLSEEL SRRGQLEEVG GTAYLLQLSE ATPTAAYAEH DATA SEQUENCE YARIVAEKWT LRRLIQAAGE AMRLAYEEAG SLDEILDTAG KKILEVALXX DATA SEQUENCE XXXXARPMRE LVHETFEHIE ALXXXXXXXX XVRTGFKELD QLIGTLGPGS DATA SEQUENCE LNIIAARPAM GKTAFALTIA QNAALKEGVG VGIYSLEMPA AQLTLRMMCS DATA SEQUENCE EARIDMNRVR XXXLTDRDFS RLVDVASRLS EAPIYIDDTP DLTLMEVRAR DATA SEQUENCE ARRLVSQNQV GLIIIDYLQL MSGPXXXXXX XNRQQEIAAI SRGLKALARE DATA SEQUENCE LGIPIIALSQ LSRAVEARPN KRPMLSDLRE SGSIEQDADL VMFIYRDEYY DATA SEQUENCE NPHSEKAGIA EIIVGKQRNG PTGTVELQFH ASHVRFNDL 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.612 176.600 0.020 0.000 1.382 2 E CA 0.000 56.414 56.400 0.024 0.000 0.976 2 E CB 0.000 29.707 29.700 0.012 0.000 0.812 3 G N 2.849 111.661 108.800 0.020 0.000 2.254 3 G HA2 -0.044 3.916 3.960 0.000 0.000 0.193 3 G HA3 -0.044 3.916 3.960 0.000 0.000 0.193 3 G C -2.364 172.546 174.900 0.017 0.000 1.233 3 G CA -0.219 44.889 45.100 0.015 0.000 1.290 3 G HN 0.516 nan 8.290 nan 0.000 0.517 4 P HA 0.547 nan 4.420 nan 0.000 0.271 4 P C 0.219 177.526 177.300 0.012 0.000 1.233 4 P CA -0.483 62.619 63.100 0.004 0.000 0.789 4 P CB 0.203 31.896 31.700 -0.011 0.000 0.951 5 I N 2.107 122.682 120.570 0.009 0.000 2.662 5 I HA 0.011 4.181 4.170 0.000 0.000 0.285 5 I C -1.726 174.374 176.117 -0.028 0.000 1.161 5 I CA -1.342 59.974 61.300 0.027 0.000 1.415 5 I CB -0.488 37.536 38.000 0.039 0.000 1.385 5 I HN 0.235 nan 8.210 nan 0.000 0.552 6 P HA 0.040 nan 4.420 nan 0.000 0.264 6 P C -2.416 174.793 177.300 -0.151 0.000 1.183 6 P CA -0.698 62.376 63.100 -0.043 0.000 0.763 6 P CB -0.243 31.484 31.700 0.046 0.000 0.807 7 P HA 0.003 nan 4.420 nan 0.000 0.263 7 P C -0.463 176.744 177.300 -0.154 0.000 1.195 7 P CA 0.935 63.933 63.100 -0.170 0.000 0.762 7 P CB 0.051 31.699 31.700 -0.087 0.000 0.799 8 H N -0.237 118.694 119.070 -0.232 0.000 3.003 8 H HA 0.515 5.071 4.556 -0.000 0.000 0.327 8 H C -1.721 173.534 175.328 -0.122 0.000 1.353 8 H CA -0.969 54.958 56.048 -0.202 0.000 1.142 8 H CB 0.858 30.406 29.762 -0.357 0.000 1.864 8 H HN 0.219 nan 8.280 nan 0.000 0.529 9 S N 1.709 117.448 115.700 0.066 0.000 2.664 9 S HA 0.209 4.679 4.470 0.000 0.000 0.262 9 S C 0.737 175.422 174.600 0.142 0.000 1.229 9 S CA -0.706 57.522 58.200 0.046 0.000 1.151 9 S CB 0.413 63.620 63.200 0.012 0.000 1.054 9 S HN 0.540 nan 8.310 nan 0.000 0.483 10 L N 5.085 126.439 121.223 0.219 0.000 2.012 10 L HA -0.051 4.289 4.340 0.000 0.000 0.210 10 L C 1.999 178.962 176.870 0.155 0.000 1.073 10 L CA 2.212 57.163 54.840 0.185 0.000 0.748 10 L CB -0.363 41.803 42.059 0.179 0.000 0.891 10 L HN 0.662 nan 8.230 nan 0.000 0.431 11 E N -0.197 120.065 120.200 0.103 0.000 2.171 11 E HA -0.216 4.134 4.350 0.000 0.000 0.197 11 E C 2.065 178.664 176.600 -0.003 0.000 0.997 11 E CA 1.442 57.875 56.400 0.055 0.000 0.810 11 E CB -0.480 29.249 29.700 0.049 0.000 0.738 11 E HN 0.658 nan 8.360 nan 0.000 0.467 12 A N 0.582 123.424 122.820 0.038 0.000 1.943 12 A HA -0.045 4.275 4.320 0.000 0.000 0.213 12 A C 1.910 179.509 177.584 0.025 0.000 1.181 12 A CA 0.629 52.678 52.037 0.020 0.000 0.653 12 A CB -0.102 18.968 19.000 0.118 0.000 0.833 12 A HN 0.116 nan 8.150 nan 0.000 0.451 13 E N 0.075 120.350 120.200 0.124 0.000 2.085 13 E HA -0.249 4.101 4.350 0.000 0.000 0.194 13 E C 2.218 179.045 176.600 0.379 0.000 0.994 13 E CA 1.550 58.143 56.400 0.322 0.000 0.801 13 E CB -0.196 29.802 29.700 0.497 0.000 0.743 13 E HN 0.708 nan 8.360 nan 0.000 0.453 14 Q N 0.172 120.121 119.800 0.249 0.000 2.084 14 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 14 Q C 2.348 178.315 176.000 -0.055 0.000 0.978 14 Q CA 1.293 57.138 55.803 0.070 0.000 0.844 14 Q CB 0.001 28.775 28.738 0.060 0.000 0.898 14 Q HN 0.077 nan 8.270 nan 0.000 0.426 15 S N 0.115 115.717 115.700 -0.164 0.000 2.399 15 S HA -0.108 4.362 4.470 0.000 0.000 0.231 15 S C 2.039 176.543 174.600 -0.160 0.000 1.022 15 S CA 0.978 58.959 58.200 -0.365 0.000 0.983 15 S CB -0.069 62.455 63.200 -1.127 0.000 0.803 15 S HN 0.152 nan 8.310 nan 0.000 0.480 16 V N 1.802 121.713 119.914 -0.005 0.000 2.302 16 V HA -0.072 4.048 4.120 0.000 0.000 0.243 16 V C 2.147 178.317 176.094 0.127 0.000 1.036 16 V CA 1.328 63.704 62.300 0.128 0.000 1.020 16 V CB -0.702 31.234 31.823 0.189 0.000 0.657 16 V HN 0.402 nan 8.190 nan 0.000 0.453 17 L N 0.712 122.004 121.223 0.114 0.000 2.042 17 L HA -0.104 4.236 4.340 0.000 0.000 0.210 17 L C 2.639 179.492 176.870 -0.027 0.000 1.076 17 L CA 1.795 56.649 54.840 0.024 0.000 0.749 17 L CB -1.151 40.842 42.059 -0.110 0.000 0.893 17 L HN 0.489 nan 8.230 nan 0.000 0.432 18 G N -1.092 107.676 108.800 -0.054 0.000 2.422 18 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 18 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 18 G C 1.734 176.623 174.900 -0.019 0.000 1.146 18 G CA 0.914 45.974 45.100 -0.065 0.000 0.769 18 G HN 0.345 nan 8.290 nan 0.000 0.547 19 S N 0.492 116.203 115.700 0.018 0.000 2.355 19 S HA -0.003 4.467 4.470 0.000 0.000 0.222 19 S C 2.247 176.875 174.600 0.048 0.000 1.031 19 S CA 0.727 58.959 58.200 0.054 0.000 0.993 19 S CB -0.210 63.055 63.200 0.108 0.000 0.859 19 S HN 0.369 nan 8.310 nan 0.000 0.453 20 I N 1.038 121.643 120.570 0.058 0.000 2.454 20 I HA -0.159 4.011 4.170 0.000 0.000 0.254 20 I C 2.100 178.225 176.117 0.015 0.000 1.156 20 I CA 0.693 62.024 61.300 0.052 0.000 1.433 20 I CB -0.205 37.846 38.000 0.085 0.000 1.082 20 I HN 0.206 nan 8.210 nan 0.000 0.432 21 L N 0.005 121.226 121.223 -0.004 0.000 2.179 21 L HA -0.081 4.259 4.340 0.000 0.000 0.208 21 L C 2.120 178.980 176.870 -0.017 0.000 1.096 21 L CA 1.633 56.458 54.840 -0.025 0.000 0.779 21 L CB -0.250 41.779 42.059 -0.051 0.000 0.922 21 L HN 0.130 nan 8.230 nan 0.000 0.443 22 L N -1.315 119.904 121.223 -0.006 0.000 2.013 22 L HA -0.021 4.319 4.340 0.000 0.000 0.204 22 L C 0.219 177.090 176.870 0.002 0.000 1.081 22 L CA 0.903 55.742 54.840 -0.002 0.000 0.751 22 L CB -0.150 41.913 42.059 0.006 0.000 0.901 22 L HN 0.155 nan 8.230 nan 0.000 0.440 23 D N -1.205 119.201 120.400 0.011 0.000 2.471 23 D HA 0.112 4.752 4.640 0.000 0.000 0.245 23 D C 0.783 177.092 176.300 0.016 0.000 1.116 23 D CA -0.139 53.868 54.000 0.011 0.000 0.853 23 D CB 1.347 42.154 40.800 0.011 0.000 1.123 23 D HN 0.053 nan 8.370 nan 0.000 0.540 24 S N 2.188 117.894 115.700 0.010 0.000 2.515 24 S HA -0.104 4.366 4.470 0.000 0.000 0.231 24 S C 1.120 175.730 174.600 0.017 0.000 0.987 24 S CA 0.304 58.511 58.200 0.012 0.000 0.936 24 S CB 0.080 63.279 63.200 -0.001 0.000 0.766 24 S HN 0.398 nan 8.310 nan 0.000 0.528 25 D N 2.031 122.441 120.400 0.016 0.000 2.264 25 D HA -0.045 4.595 4.640 0.000 0.000 0.208 25 D C 2.120 178.437 176.300 0.028 0.000 0.966 25 D CA 1.177 55.187 54.000 0.017 0.000 0.864 25 D CB -0.214 40.593 40.800 0.011 0.000 0.933 25 D HN 0.552 nan 8.370 nan 0.000 0.499 26 V N -1.295 118.641 119.914 0.037 0.000 2.970 26 V HA -0.079 4.041 4.120 0.000 0.000 0.260 26 V C 2.119 178.256 176.094 0.072 0.000 1.100 26 V CA 0.866 63.197 62.300 0.053 0.000 1.122 26 V CB -0.619 31.241 31.823 0.062 0.000 0.721 26 V HN 0.049 nan 8.190 nan 0.000 0.483 27 M N 0.702 120.345 119.600 0.070 0.000 2.213 27 M HA -0.149 4.331 4.480 0.000 0.000 0.263 27 M C 1.941 178.292 176.300 0.084 0.000 1.062 27 M CA 2.268 57.623 55.300 0.092 0.000 1.105 27 M CB -0.355 32.283 32.600 0.063 0.000 1.385 27 M HN 0.464 nan 8.290 nan 0.000 0.417 28 D N 0.344 120.778 120.400 0.056 0.000 2.149 28 D HA -0.193 4.447 4.640 0.000 0.000 0.198 28 D C 1.556 177.892 176.300 0.059 0.000 0.990 28 D CA 1.662 55.691 54.000 0.048 0.000 0.839 28 D CB 0.089 40.909 40.800 0.033 0.000 0.948 28 D HN 0.556 nan 8.370 nan 0.000 0.460 29 E N -0.655 119.583 120.200 0.063 0.000 2.060 29 E HA -0.033 4.317 4.350 0.000 0.000 0.189 29 E C 2.366 179.016 176.600 0.083 0.000 0.974 29 E CA 0.449 56.887 56.400 0.065 0.000 0.808 29 E CB 0.034 29.768 29.700 0.058 0.000 0.768 29 E HN 0.050 nan 8.360 nan 0.000 0.453 30 V N 1.679 121.656 119.914 0.104 0.000 2.469 30 V HA -0.281 3.839 4.120 0.000 0.000 0.251 30 V C 2.241 178.428 176.094 0.154 0.000 1.064 30 V CA 2.035 64.412 62.300 0.128 0.000 1.066 30 V CB -0.419 31.505 31.823 0.168 0.000 0.667 30 V HN 0.267 nan 8.190 nan 0.000 0.461 31 E N 0.051 120.351 120.200 0.168 0.000 2.268 31 E HA -0.109 4.241 4.350 0.000 0.000 0.195 31 E C 2.253 178.934 176.600 0.136 0.000 0.995 31 E CA 0.919 57.434 56.400 0.190 0.000 0.836 31 E CB -0.269 29.516 29.700 0.141 0.000 0.763 31 E HN 0.617 nan 8.360 nan 0.000 0.491 32 G N 0.496 109.356 108.800 0.101 0.000 2.403 32 G HA2 -0.193 3.767 3.960 0.000 0.000 0.216 32 G HA3 -0.193 3.767 3.960 0.000 0.000 0.216 32 G C 1.440 176.389 174.900 0.082 0.000 1.154 32 G CA 0.331 45.479 45.100 0.081 0.000 0.784 32 G HN 0.181 nan 8.290 nan 0.000 0.538 33 L N -0.579 120.690 121.223 0.077 0.000 2.270 33 L HA 0.324 4.664 4.340 0.000 0.000 0.210 33 L C 0.552 177.458 176.870 0.060 0.000 1.104 33 L CA 0.363 55.241 54.840 0.063 0.000 0.804 33 L CB 0.111 42.196 42.059 0.044 0.000 0.937 33 L HN 0.056 nan 8.230 nan 0.000 0.450 34 L N -0.201 121.062 121.223 0.067 0.000 2.470 34 L HA 0.258 4.598 4.340 0.000 0.000 0.253 34 L C -1.963 175.002 176.870 0.158 0.000 1.163 34 L CA -1.331 53.525 54.840 0.027 0.000 0.932 34 L CB 1.142 43.102 42.059 -0.164 0.000 1.213 34 L HN -0.161 nan 8.230 nan 0.000 0.485 35 P HA -0.074 nan 4.420 nan 0.000 0.208 35 P C 0.552 177.973 177.300 0.201 0.000 1.203 35 P CA 0.720 63.926 63.100 0.175 0.000 0.920 35 P CB 0.178 31.971 31.700 0.154 0.000 0.769 36 S N -0.549 115.230 115.700 0.132 0.000 2.562 36 S HA 0.254 4.724 4.470 0.000 0.000 0.275 36 S C -1.684 172.935 174.600 0.032 0.000 1.281 36 S CA -1.241 57.015 58.200 0.092 0.000 1.045 36 S CB 0.458 63.703 63.200 0.076 0.000 0.962 36 S HN 0.059 nan 8.310 nan 0.000 0.503 37 P HA -0.030 nan 4.420 nan 0.000 0.239 37 P C 0.734 178.015 177.300 -0.032 0.000 1.184 37 P CA 0.562 63.804 63.100 0.236 0.000 0.760 37 P CB 0.088 31.944 31.700 0.260 0.000 0.884 38 E N 0.573 120.613 120.200 -0.268 0.000 2.204 38 E HA -0.113 4.237 4.350 0.000 0.000 0.195 38 E C 2.068 178.083 176.600 -0.974 0.000 0.990 38 E CA 1.085 57.228 56.400 -0.428 0.000 0.821 38 E CB -0.777 28.781 29.700 -0.236 0.000 0.750 38 E HN 0.279 nan 8.360 nan 0.000 0.477 39 A N 0.860 122.833 122.820 -1.413 0.000 2.024 39 A HA -0.123 4.197 4.320 0.000 0.000 0.220 39 A C 0.865 178.068 177.584 -0.634 0.000 1.164 39 A CA 0.511 51.718 52.037 -1.382 0.000 0.643 39 A CB -0.558 17.918 19.000 -0.873 0.000 0.806 39 A HN 0.080 nan 8.150 nan 0.000 0.451 40 F N -1.478 118.243 119.950 -0.382 0.000 2.504 40 F HA 0.282 4.809 4.527 -0.000 0.000 0.369 40 F C 1.129 176.866 175.800 -0.105 0.000 1.082 40 F CA 0.034 57.934 58.000 -0.166 0.000 1.216 40 F CB 0.440 39.382 39.000 -0.095 0.000 1.108 40 F HN 0.289 nan 8.300 nan 0.000 0.554 41 Y N 3.622 123.896 120.300 -0.043 0.000 2.231 41 Y HA 0.271 4.821 4.550 -0.000 0.000 0.294 41 Y C 1.345 177.147 175.900 -0.163 0.000 1.120 41 Y CA 0.656 58.681 58.100 -0.126 0.000 1.141 41 Y CB -0.380 37.932 38.460 -0.248 0.000 1.022 41 Y HN 0.491 nan 8.280 nan 0.000 0.523 42 A N 1.155 123.861 122.820 -0.190 0.000 2.520 42 A HA 0.032 4.352 4.320 0.000 0.000 0.245 42 A C 1.324 178.813 177.584 -0.159 0.000 1.072 42 A CA 0.336 52.193 52.037 -0.301 0.000 0.761 42 A CB 0.012 18.667 19.000 -0.576 0.000 1.004 42 A HN 0.581 nan 8.150 nan 0.000 0.499 43 E N 3.112 123.210 120.200 -0.170 0.000 2.077 43 E HA -0.155 4.195 4.350 0.000 0.000 0.193 43 E C 2.015 178.600 176.600 -0.025 0.000 0.989 43 E CA 2.246 58.585 56.400 -0.102 0.000 0.800 43 E CB -0.281 29.349 29.700 -0.117 0.000 0.746 43 E HN 0.783 nan 8.360 nan 0.000 0.452 44 A N -0.042 122.789 122.820 0.019 0.000 1.883 44 A HA -0.224 4.096 4.320 0.000 0.000 0.217 44 A C 1.981 179.625 177.584 0.100 0.000 1.186 44 A CA 1.991 54.065 52.037 0.062 0.000 0.624 44 A CB -1.078 17.962 19.000 0.066 0.000 0.822 44 A HN 0.413 nan 8.150 nan 0.000 0.444 45 H N -0.759 118.272 119.070 -0.065 0.000 2.319 45 H HA -0.125 4.431 4.556 0.000 0.000 0.299 45 H C 2.138 177.249 175.328 -0.362 0.000 1.092 45 H CA 1.763 57.686 56.048 -0.208 0.000 1.302 45 H CB -0.307 29.400 29.762 -0.092 0.000 1.373 45 H HN 0.520 nan 8.280 nan 0.000 0.497 46 R N 0.823 121.305 120.500 -0.030 0.000 2.083 46 R HA -0.186 4.154 4.340 0.000 0.000 0.237 46 R C 1.957 178.231 176.300 -0.043 0.000 1.137 46 R CA 1.866 57.950 56.100 -0.025 0.000 0.951 46 R CB 0.036 30.342 30.300 0.010 0.000 0.851 46 R HN 0.160 nan 8.270 nan 0.000 0.434 47 K N 0.242 120.617 120.400 -0.041 0.000 2.032 47 K HA -0.108 4.212 4.320 0.000 0.000 0.209 47 K C 1.967 178.526 176.600 -0.068 0.000 1.048 47 K CA 1.751 58.012 56.287 -0.044 0.000 0.927 47 K CB -0.211 32.268 32.500 -0.035 0.000 0.712 47 K HN 0.188 nan 8.250 nan 0.000 0.441 48 I N -0.575 119.938 120.570 -0.096 0.000 2.099 48 I HA -0.339 3.831 4.170 0.000 0.000 0.239 48 I C 2.135 178.172 176.117 -0.134 0.000 1.066 48 I CA 1.507 62.733 61.300 -0.122 0.000 1.324 48 I CB -0.351 37.551 38.000 -0.164 0.000 1.037 48 I HN 0.176 nan 8.210 nan 0.000 0.401 49 Y N 1.609 121.707 120.300 -0.337 0.000 2.207 49 Y HA -0.289 4.261 4.550 -0.000 0.000 0.287 49 Y C 2.490 178.309 175.900 -0.136 0.000 1.156 49 Y CA 1.378 59.306 58.100 -0.287 0.000 1.182 49 Y CB -0.388 37.791 38.460 -0.468 0.000 0.979 49 Y HN 0.150 nan 8.280 nan 0.000 0.521 50 A N -0.064 122.704 122.820 -0.087 0.000 1.972 50 A HA -0.088 4.232 4.320 0.000 0.000 0.219 50 A C 2.371 179.869 177.584 -0.144 0.000 1.169 50 A CA 1.743 53.718 52.037 -0.103 0.000 0.635 50 A CB -1.277 17.703 19.000 -0.033 0.000 0.810 50 A HN 0.562 nan 8.150 nan 0.000 0.446 51 A N -0.407 122.333 122.820 -0.134 0.000 1.898 51 A HA 0.027 4.347 4.320 0.000 0.000 0.214 51 A C 2.212 179.710 177.584 -0.143 0.000 1.183 51 A CA 1.458 53.426 52.037 -0.115 0.000 0.622 51 A CB -0.489 18.459 19.000 -0.087 0.000 0.824 51 A HN 0.511 nan 8.150 nan 0.000 0.444 52 M N -1.033 118.453 119.600 -0.190 0.000 2.175 52 M HA -0.183 4.297 4.480 0.000 0.000 0.264 52 M C 2.428 178.586 176.300 -0.237 0.000 1.063 52 M CA 1.890 57.074 55.300 -0.193 0.000 1.119 52 M CB -0.442 32.039 32.600 -0.198 0.000 1.377 52 M HN 0.567 nan 8.290 nan 0.000 0.415 53 Q N 0.616 120.196 119.800 -0.367 0.000 2.079 53 Q HA -0.126 4.214 4.340 0.000 0.000 0.200 53 Q C 2.119 178.012 176.000 -0.179 0.000 0.974 53 Q CA 1.821 57.419 55.803 -0.341 0.000 0.840 53 Q CB -0.054 28.401 28.738 -0.472 0.000 0.898 53 Q HN 0.551 nan 8.270 nan 0.000 0.430 54 A N 0.333 123.065 122.820 -0.146 0.000 2.014 54 A HA -0.093 4.227 4.320 0.000 0.000 0.218 54 A C 1.946 179.485 177.584 -0.076 0.000 1.163 54 A CA 0.635 52.618 52.037 -0.090 0.000 0.652 54 A CB -0.527 18.429 19.000 -0.074 0.000 0.808 54 A HN 0.508 nan 8.150 nan 0.000 0.449 55 L N -0.034 121.136 121.223 -0.088 0.000 2.027 55 L HA -0.193 4.147 4.340 0.000 0.000 0.206 55 L C 2.676 179.511 176.870 -0.058 0.000 1.074 55 L CA 2.083 56.882 54.840 -0.069 0.000 0.745 55 L CB -0.159 41.856 42.059 -0.073 0.000 0.898 55 L HN 0.571 nan 8.230 nan 0.000 0.433 56 R N -1.762 118.698 120.500 -0.067 0.000 2.240 56 R HA 0.016 4.356 4.340 0.000 0.000 0.203 56 R C 2.117 178.392 176.300 -0.042 0.000 1.011 56 R CA 1.017 57.087 56.100 -0.050 0.000 1.007 56 R CB -0.764 29.506 30.300 -0.049 0.000 0.911 56 R HN 0.120 nan 8.270 nan 0.000 0.468 57 S N 1.529 117.199 115.700 -0.049 0.000 2.368 57 S HA -0.187 4.283 4.470 0.000 0.000 0.224 57 S C 1.924 176.508 174.600 -0.028 0.000 1.029 57 S CA 1.361 59.539 58.200 -0.037 0.000 0.988 57 S CB -0.114 63.061 63.200 -0.042 0.000 0.838 57 S HN 0.707 nan 8.310 nan 0.000 0.462 58 Q N -0.453 119.329 119.800 -0.030 0.000 2.369 58 Q HA 0.217 4.557 4.340 0.000 0.000 0.206 58 Q C 1.273 177.260 176.000 -0.020 0.000 0.963 58 Q CA 0.971 56.760 55.803 -0.023 0.000 0.894 58 Q CB -0.232 28.492 28.738 -0.024 0.000 0.965 58 Q HN 0.593 nan 8.270 nan 0.000 0.475 59 G N 1.323 110.110 108.800 -0.023 0.000 2.151 59 G HA2 -0.173 3.787 3.960 0.000 0.000 0.140 59 G HA3 -0.173 3.787 3.960 0.000 0.000 0.140 59 G C -0.248 174.641 174.900 -0.019 0.000 1.020 59 G CA -0.217 44.872 45.100 -0.019 0.000 0.688 59 G HN 0.434 nan 8.290 nan 0.000 0.500 60 R N -0.516 119.970 120.500 -0.023 0.000 2.778 60 R HA 0.770 5.110 4.340 0.000 0.000 0.277 60 R C -3.151 173.134 176.300 -0.025 0.000 0.977 60 R CA -2.098 53.989 56.100 -0.022 0.000 0.950 60 R CB 1.629 31.916 30.300 -0.022 0.000 1.165 60 R HN 0.021 nan 8.270 nan 0.000 0.474 61 P HA 0.003 nan 4.420 nan 0.000 0.271 61 P C -0.216 177.067 177.300 -0.027 0.000 1.216 61 P CA -0.587 62.500 63.100 -0.022 0.000 0.776 61 P CB 0.859 32.550 31.700 -0.017 0.000 0.881 62 V N -0.075 119.821 119.914 -0.030 0.000 2.313 62 V HA 0.316 4.436 4.120 0.000 0.000 0.252 62 V C -0.217 175.859 176.094 -0.031 0.000 1.112 62 V CA -0.300 61.977 62.300 -0.037 0.000 0.984 62 V CB -0.547 31.247 31.823 -0.047 0.000 1.157 62 V HN 0.270 nan 8.190 nan 0.000 0.493 63 D N 3.001 123.383 120.400 -0.031 0.000 2.384 63 D HA 0.413 5.053 4.640 0.000 0.000 0.250 63 D C 0.804 177.085 176.300 -0.033 0.000 1.029 63 D CA -0.742 53.242 54.000 -0.028 0.000 0.990 63 D CB 1.974 42.760 40.800 -0.023 0.000 1.175 63 D HN 0.409 nan 8.370 nan 0.000 0.532 64 L N 1.034 122.239 121.223 -0.032 0.000 2.131 64 L HA -0.135 4.205 4.340 0.000 0.000 0.210 64 L C 1.607 178.459 176.870 -0.031 0.000 1.092 64 L CA 1.628 56.447 54.840 -0.035 0.000 0.759 64 L CB -0.060 41.979 42.059 -0.034 0.000 0.903 64 L HN 0.308 nan 8.230 nan 0.000 0.435 65 V N -1.500 118.399 119.914 -0.026 0.000 2.379 65 V HA -0.181 3.939 4.120 0.000 0.000 0.243 65 V C 2.360 178.440 176.094 -0.024 0.000 1.035 65 V CA 1.871 64.158 62.300 -0.022 0.000 1.035 65 V CB -0.807 31.005 31.823 -0.018 0.000 0.673 65 V HN 0.480 nan 8.190 nan 0.000 0.457 66 T N 1.112 115.650 114.554 -0.026 0.000 2.788 66 T HA -0.201 4.149 4.350 0.000 0.000 0.268 66 T C 1.875 176.554 174.700 -0.034 0.000 1.044 66 T CA 1.811 63.894 62.100 -0.028 0.000 1.139 66 T CB -0.357 68.494 68.868 -0.029 0.000 0.867 66 T HN 0.280 nan 8.240 nan 0.000 0.454 67 L N 2.409 123.609 121.223 -0.039 0.000 1.955 67 L HA -0.149 4.191 4.340 0.000 0.000 0.213 67 L C 2.618 179.465 176.870 -0.038 0.000 1.072 67 L CA 2.507 57.319 54.840 -0.046 0.000 0.755 67 L CB -1.176 40.852 42.059 -0.051 0.000 0.888 67 L HN 0.355 nan 8.230 nan 0.000 0.432 68 S N -1.632 114.049 115.700 -0.032 0.000 2.400 68 S HA -0.218 4.252 4.470 0.000 0.000 0.232 68 S C 1.939 176.525 174.600 -0.022 0.000 1.025 68 S CA 1.241 59.426 58.200 -0.024 0.000 0.993 68 S CB -0.732 62.456 63.200 -0.019 0.000 0.808 68 S HN 0.601 nan 8.310 nan 0.000 0.478 69 E N 1.037 121.223 120.200 -0.023 0.000 2.072 69 E HA -0.068 4.282 4.350 0.000 0.000 0.190 69 E C 2.103 178.690 176.600 -0.023 0.000 0.982 69 E CA 0.791 57.178 56.400 -0.021 0.000 0.803 69 E CB -0.181 29.507 29.700 -0.020 0.000 0.755 69 E HN 0.544 nan 8.360 nan 0.000 0.453 70 E N 0.388 120.571 120.200 -0.028 0.000 2.299 70 E HA -0.081 4.269 4.350 0.000 0.000 0.193 70 E C 1.936 178.516 176.600 -0.033 0.000 0.998 70 E CA -0.013 56.368 56.400 -0.031 0.000 0.851 70 E CB 0.145 29.823 29.700 -0.038 0.000 0.795 70 E HN 0.170 nan 8.360 nan 0.000 0.492 71 L N 0.438 121.642 121.223 -0.032 0.000 2.095 71 L HA -0.031 4.309 4.340 0.000 0.000 0.204 71 L C 2.352 179.207 176.870 -0.024 0.000 1.080 71 L CA 1.298 56.120 54.840 -0.031 0.000 0.759 71 L CB -1.056 40.985 42.059 -0.030 0.000 0.914 71 L HN 0.057 nan 8.230 nan 0.000 0.439 72 S N -0.421 115.267 115.700 -0.021 0.000 2.402 72 S HA -0.214 4.256 4.470 0.000 0.000 0.229 72 S C 2.149 176.739 174.600 -0.017 0.000 1.021 72 S CA 1.032 59.222 58.200 -0.017 0.000 0.974 72 S CB -0.198 62.993 63.200 -0.015 0.000 0.800 72 S HN 0.402 nan 8.310 nan 0.000 0.484 73 R N 0.439 120.928 120.500 -0.019 0.000 2.127 73 R HA -0.015 4.325 4.340 0.000 0.000 0.238 73 R C 1.914 178.203 176.300 -0.019 0.000 1.134 73 R CA 1.411 57.500 56.100 -0.019 0.000 0.975 73 R CB -0.111 30.177 30.300 -0.021 0.000 0.865 73 R HN 0.353 nan 8.270 nan 0.000 0.447 74 R N -0.890 119.597 120.500 -0.021 0.000 2.310 74 R HA 0.108 4.448 4.340 0.000 0.000 0.202 74 R C 0.692 176.980 176.300 -0.019 0.000 0.933 74 R CA 0.504 56.592 56.100 -0.021 0.000 1.054 74 R CB 0.518 30.803 30.300 -0.024 0.000 0.985 74 R HN 0.430 nan 8.270 nan 0.000 0.489 75 G N 1.636 110.425 108.800 -0.017 0.000 2.273 75 G HA2 -0.309 3.651 3.960 0.000 0.000 0.280 75 G HA3 -0.309 3.651 3.960 0.000 0.000 0.280 75 G C 0.304 175.193 174.900 -0.018 0.000 1.047 75 G CA 0.339 45.429 45.100 -0.016 0.000 0.869 75 G HN 0.463 nan 8.290 nan 0.000 0.502 76 Q N -1.390 118.398 119.800 -0.019 0.000 2.140 76 Q HA 0.381 4.721 4.340 0.000 0.000 0.227 76 Q C 2.329 178.318 176.000 -0.019 0.000 0.798 76 Q CA -0.350 55.440 55.803 -0.021 0.000 0.987 76 Q CB 0.510 29.234 28.738 -0.024 0.000 1.161 76 Q HN 0.527 nan 8.270 nan 0.000 0.480 77 L N 1.070 122.283 121.223 -0.015 0.000 1.961 77 L HA -0.193 4.147 4.340 0.000 0.000 0.210 77 L C 1.727 178.593 176.870 -0.007 0.000 1.072 77 L CA 1.826 56.660 54.840 -0.010 0.000 0.749 77 L CB 0.061 42.114 42.059 -0.009 0.000 0.889 77 L HN 0.291 nan 8.230 nan 0.000 0.432 78 E N -0.767 119.427 120.200 -0.010 0.000 2.268 78 E HA -0.243 4.107 4.350 0.000 0.000 0.195 78 E C 1.928 178.516 176.600 -0.020 0.000 0.995 78 E CA 0.641 57.034 56.400 -0.011 0.000 0.836 78 E CB 0.024 29.718 29.700 -0.011 0.000 0.763 78 E HN 0.439 nan 8.360 nan 0.000 0.491 79 E N 0.788 120.975 120.200 -0.023 0.000 2.152 79 E HA -0.112 4.238 4.350 0.000 0.000 0.192 79 E C 1.972 178.548 176.600 -0.040 0.000 0.983 79 E CA 0.535 56.917 56.400 -0.031 0.000 0.818 79 E CB 0.328 30.012 29.700 -0.027 0.000 0.758 79 E HN 0.100 nan 8.360 nan 0.000 0.467 80 V N -0.364 119.531 119.914 -0.031 0.000 2.591 80 V HA -0.017 4.103 4.120 0.000 0.000 0.249 80 V C 1.533 177.587 176.094 -0.067 0.000 1.053 80 V CA 1.456 63.737 62.300 -0.032 0.000 1.068 80 V CB 0.435 32.258 31.823 0.000 0.000 0.689 80 V HN 0.540 nan 8.190 nan 0.000 0.462 81 G N -1.677 107.096 108.800 -0.045 0.000 2.215 81 G HA2 0.306 4.266 3.960 0.000 0.000 0.187 81 G HA3 0.306 4.266 3.960 0.000 0.000 0.187 81 G C 0.500 175.420 174.900 0.032 0.000 1.039 81 G CA -0.158 44.905 45.100 -0.061 0.000 0.771 81 G HN 1.388 nan 8.290 nan 0.000 0.507 82 G N -0.851 107.968 108.800 0.031 0.000 2.877 82 G HA2 0.161 4.121 3.960 0.000 0.000 0.279 82 G HA3 0.161 4.121 3.960 0.000 0.000 0.279 82 G C 1.102 176.038 174.900 0.059 0.000 1.431 82 G CA 0.865 45.986 45.100 0.037 0.000 0.883 82 G HN 1.823 nan 8.290 nan 0.000 0.547 83 T N -2.149 112.425 114.554 0.034 0.000 3.085 83 T HA 0.356 4.706 4.350 0.000 0.000 0.263 83 T C 2.530 177.246 174.700 0.027 0.000 1.127 83 T CA 1.748 63.860 62.100 0.021 0.000 1.103 83 T CB -0.075 68.795 68.868 0.003 0.000 0.921 83 T HN 1.977 nan 8.240 nan 0.000 0.510 84 A N 0.488 123.337 122.820 0.048 0.000 2.019 84 A HA -0.000 4.320 4.320 0.000 0.000 0.219 84 A C 2.025 179.662 177.584 0.090 0.000 1.164 84 A CA 1.163 53.233 52.037 0.054 0.000 0.644 84 A CB -0.954 18.079 19.000 0.056 0.000 0.805 84 A HN 0.622 nan 8.150 nan 0.000 0.449 85 Y N 0.046 120.333 120.300 -0.022 0.000 2.490 85 Y HA 0.155 4.705 4.550 0.000 0.000 0.285 85 Y C 1.746 177.620 175.900 -0.044 0.000 1.117 85 Y CA 0.682 58.767 58.100 -0.026 0.000 1.262 85 Y CB -0.053 38.393 38.460 -0.023 0.000 1.043 85 Y HN 0.201 nan 8.280 nan 0.000 0.553 86 L N -0.909 120.264 121.223 -0.082 0.000 2.072 86 L HA -0.186 4.154 4.340 0.000 0.000 0.205 86 L C 2.218 178.994 176.870 -0.157 0.000 1.079 86 L CA 1.037 55.785 54.840 -0.153 0.000 0.752 86 L CB -0.668 41.349 42.059 -0.071 0.000 0.906 86 L HN 0.195 nan 8.230 nan 0.000 0.436 87 L N -0.433 120.732 121.223 -0.095 0.000 2.083 87 L HA -0.212 4.128 4.340 0.000 0.000 0.209 87 L C 2.814 179.624 176.870 -0.098 0.000 1.083 87 L CA 1.063 55.858 54.840 -0.076 0.000 0.752 87 L CB -0.498 41.538 42.059 -0.038 0.000 0.899 87 L HN 0.368 nan 8.230 nan 0.000 0.433 88 Q N -0.033 119.690 119.800 -0.128 0.000 2.170 88 Q HA -0.195 4.145 4.340 0.000 0.000 0.203 88 Q C 2.165 178.047 176.000 -0.198 0.000 0.976 88 Q CA 1.454 57.176 55.803 -0.134 0.000 0.858 88 Q CB 0.082 28.758 28.738 -0.104 0.000 0.907 88 Q HN 0.387 nan 8.270 nan 0.000 0.433 89 L N -0.149 120.895 121.223 -0.297 0.000 2.131 89 L HA -0.036 4.304 4.340 0.000 0.000 0.206 89 L C 2.497 179.274 176.870 -0.155 0.000 1.087 89 L CA 1.280 55.959 54.840 -0.269 0.000 0.767 89 L CB -0.885 40.955 42.059 -0.364 0.000 0.917 89 L HN 0.070 nan 8.230 nan 0.000 0.441 90 S N 0.078 115.701 115.700 -0.127 0.000 2.370 90 S HA -0.232 4.238 4.470 0.000 0.000 0.226 90 S C 1.703 176.269 174.600 -0.056 0.000 1.033 90 S CA 1.785 59.938 58.200 -0.078 0.000 1.011 90 S CB -0.150 63.013 63.200 -0.063 0.000 0.852 90 S HN 0.703 nan 8.310 nan 0.000 0.457 91 E N -0.212 119.954 120.200 -0.057 0.000 2.474 91 E HA 0.378 4.728 4.350 0.000 0.000 0.195 91 E C 1.720 178.299 176.600 -0.034 0.000 1.039 91 E CA 0.489 56.868 56.400 -0.035 0.000 0.881 91 E CB -0.073 29.610 29.700 -0.027 0.000 0.970 91 E HN 0.493 nan 8.360 nan 0.000 0.486 92 A N 1.780 124.565 122.820 -0.057 0.000 1.969 92 A HA -0.053 4.267 4.320 0.000 0.000 0.218 92 A C 1.575 179.136 177.584 -0.038 0.000 1.169 92 A CA 1.346 53.350 52.037 -0.054 0.000 0.635 92 A CB -0.537 18.411 19.000 -0.086 0.000 0.810 92 A HN 0.391 nan 8.150 nan 0.000 0.445 93 T N -3.119 111.416 114.554 -0.032 0.000 2.823 93 T HA 0.555 4.905 4.350 0.000 0.000 0.279 93 T C -1.966 172.752 174.700 0.031 0.000 0.998 93 T CA -1.630 60.471 62.100 0.002 0.000 0.994 93 T CB 1.851 70.718 68.868 -0.001 0.000 0.960 93 T HN 0.022 nan 8.240 nan 0.000 0.448 94 P HA 0.065 nan 4.420 nan 0.000 0.217 94 P C 1.460 178.798 177.300 0.064 0.000 1.154 94 P CA 0.829 63.966 63.100 0.062 0.000 0.841 94 P CB 0.139 31.887 31.700 0.079 0.000 0.790 95 T N -5.247 109.364 114.554 0.095 0.000 2.987 95 T HA 0.556 4.905 4.350 0.000 0.000 0.248 95 T C 1.326 176.060 174.700 0.056 0.000 0.997 95 T CA 0.620 62.759 62.100 0.066 0.000 1.013 95 T CB -0.356 68.544 68.868 0.053 0.000 1.077 95 T HN 0.104 nan 8.240 nan 0.000 0.483 96 A N 0.982 123.864 122.820 0.104 0.000 3.383 96 A HA -0.089 4.231 4.320 0.000 0.000 0.264 96 A C 1.799 179.428 177.584 0.075 0.000 1.154 96 A CA 1.297 53.396 52.037 0.103 0.000 1.179 96 A CB -2.293 16.741 19.000 0.058 0.000 1.133 96 A HN 1.545 nan 8.150 nan 0.000 0.933 97 A N -1.839 120.974 122.820 -0.012 0.000 2.119 97 A HA 0.290 4.610 4.320 0.000 0.000 0.217 97 A C 1.232 178.635 177.584 -0.302 0.000 1.153 97 A CA 1.691 53.601 52.037 -0.212 0.000 0.692 97 A CB -0.461 18.306 19.000 -0.389 0.000 0.799 97 A HN 1.105 nan 8.150 nan 0.000 0.458 98 Y N -1.178 119.213 120.300 0.153 0.000 2.658 98 Y HA 0.426 4.976 4.550 0.000 0.000 0.276 98 Y C 2.061 178.097 175.900 0.227 0.000 1.167 98 Y CA -0.145 58.034 58.100 0.133 0.000 1.230 98 Y CB -0.188 38.290 38.460 0.031 0.000 1.144 98 Y HN 0.285 nan 8.280 nan 0.000 0.529 99 A N 0.383 123.386 122.820 0.304 0.000 1.948 99 A HA -0.305 4.015 4.320 0.000 0.000 0.220 99 A C 2.087 179.796 177.584 0.208 0.000 1.177 99 A CA 2.314 54.513 52.037 0.269 0.000 0.636 99 A CB -0.306 18.795 19.000 0.169 0.000 0.815 99 A HN 0.486 nan 8.150 nan 0.000 0.449 100 E N -0.755 119.540 120.200 0.159 0.000 2.077 100 E HA -0.228 4.122 4.350 0.000 0.000 0.193 100 E C 1.939 178.612 176.600 0.122 0.000 0.989 100 E CA 1.632 58.104 56.400 0.119 0.000 0.800 100 E CB -0.443 29.313 29.700 0.094 0.000 0.746 100 E HN 0.805 nan 8.360 nan 0.000 0.452 101 H N -1.115 117.975 119.070 0.032 0.000 2.270 101 H HA -0.166 4.390 4.556 0.000 0.000 0.299 101 H C 1.746 177.016 175.328 -0.096 0.000 1.077 101 H CA 2.001 58.003 56.048 -0.076 0.000 1.294 101 H CB -0.316 29.340 29.762 -0.177 0.000 1.371 101 H HN 0.345 nan 8.280 nan 0.000 0.491 102 Y N 0.500 120.728 120.300 -0.119 0.000 2.333 102 Y HA -0.130 4.420 4.550 -0.000 0.000 0.290 102 Y C 2.968 178.786 175.900 -0.136 0.000 1.144 102 Y CA 0.691 58.678 58.100 -0.188 0.000 1.228 102 Y CB -0.190 38.257 38.460 -0.021 0.000 0.985 102 Y HN 0.347 nan 8.280 nan 0.000 0.542 103 A N 0.386 123.248 122.820 0.070 0.000 1.898 103 A HA -0.213 4.107 4.320 0.000 0.000 0.216 103 A C 2.200 179.756 177.584 -0.045 0.000 1.181 103 A CA 1.724 53.764 52.037 0.004 0.000 0.620 103 A CB -0.634 18.391 19.000 0.043 0.000 0.819 103 A HN 0.421 nan 8.150 nan 0.000 0.442 104 R N -0.382 120.095 120.500 -0.040 0.000 2.081 104 R HA -0.098 4.242 4.340 0.000 0.000 0.235 104 R C 1.886 178.149 176.300 -0.062 0.000 1.131 104 R CA 1.510 57.588 56.100 -0.038 0.000 0.960 104 R CB -0.297 29.990 30.300 -0.021 0.000 0.856 104 R HN 0.458 nan 8.270 nan 0.000 0.436 105 I N 0.483 120.984 120.570 -0.116 0.000 2.099 105 I HA -0.264 3.906 4.170 0.000 0.000 0.239 105 I C 2.363 178.437 176.117 -0.072 0.000 1.066 105 I CA 1.348 62.586 61.300 -0.103 0.000 1.324 105 I CB -1.207 36.712 38.000 -0.134 0.000 1.037 105 I HN 0.077 nan 8.210 nan 0.000 0.401 106 V N 1.514 121.366 119.914 -0.103 0.000 2.332 106 V HA -0.293 3.827 4.120 0.000 0.000 0.248 106 V C 2.877 178.906 176.094 -0.108 0.000 1.055 106 V CA 1.912 64.111 62.300 -0.170 0.000 1.038 106 V CB -1.347 30.247 31.823 -0.383 0.000 0.651 106 V HN 0.492 nan 8.190 nan 0.000 0.450 107 A N -0.161 122.618 122.820 -0.069 0.000 1.865 107 A HA -0.277 4.043 4.320 0.000 0.000 0.217 107 A C 2.206 179.854 177.584 0.105 0.000 1.191 107 A CA 2.103 54.169 52.037 0.047 0.000 0.623 107 A CB -0.571 18.452 19.000 0.038 0.000 0.826 107 A HN 0.625 nan 8.150 nan 0.000 0.444 108 E N -0.381 119.842 120.200 0.039 0.000 2.110 108 E HA -0.166 4.184 4.350 0.000 0.000 0.193 108 E C 1.901 178.524 176.600 0.037 0.000 0.988 108 E CA 1.026 57.442 56.400 0.027 0.000 0.804 108 E CB -0.096 29.603 29.700 -0.001 0.000 0.745 108 E HN 0.364 nan 8.360 nan 0.000 0.458 109 K N 0.179 120.603 120.400 0.040 0.000 2.209 109 K HA -0.167 4.153 4.320 0.000 0.000 0.204 109 K C 1.668 178.350 176.600 0.137 0.000 1.048 109 K CA 0.731 57.047 56.287 0.049 0.000 0.940 109 K CB -0.310 32.204 32.500 0.023 0.000 0.729 109 K HN 0.288 nan 8.250 nan 0.000 0.451 110 W N 2.395 123.669 121.300 -0.044 0.000 2.407 110 W HA -0.123 4.537 4.660 -0.000 0.000 0.305 110 W C 1.876 178.391 176.519 -0.007 0.000 1.196 110 W CA 1.732 59.065 57.345 -0.019 0.000 1.311 110 W CB -0.773 28.666 29.460 -0.035 0.000 1.135 110 W HN -0.007 nan 8.180 nan 0.000 0.514 111 T N 1.894 116.405 114.554 -0.072 0.000 2.635 111 T HA -0.280 4.070 4.350 0.000 0.000 0.267 111 T C 2.049 176.664 174.700 -0.140 0.000 1.040 111 T CA 2.189 64.155 62.100 -0.223 0.000 1.156 111 T CB -0.907 67.883 68.868 -0.130 0.000 0.863 111 T HN 0.146 nan 8.240 nan 0.000 0.430 112 L N 0.165 121.355 121.223 -0.055 0.000 2.042 112 L HA -0.155 4.185 4.340 0.000 0.000 0.210 112 L C 2.994 179.850 176.870 -0.024 0.000 1.076 112 L CA 1.518 56.336 54.840 -0.036 0.000 0.749 112 L CB -0.480 41.567 42.059 -0.020 0.000 0.893 112 L HN 0.171 nan 8.230 nan 0.000 0.432 113 R N 0.103 120.611 120.500 0.013 0.000 2.081 113 R HA -0.160 4.180 4.340 0.000 0.000 0.235 113 R C 2.324 178.633 176.300 0.015 0.000 1.131 113 R CA 1.592 57.728 56.100 0.059 0.000 0.960 113 R CB -0.154 30.258 30.300 0.187 0.000 0.856 113 R HN 0.451 nan 8.270 nan 0.000 0.436 114 R N 0.198 120.639 120.500 -0.097 0.000 2.299 114 R HA 0.004 4.344 4.340 0.000 0.000 0.197 114 R C 1.734 177.966 176.300 -0.113 0.000 0.971 114 R CA 0.494 56.510 56.100 -0.141 0.000 1.030 114 R CB -0.130 29.972 30.300 -0.331 0.000 0.932 114 R HN 0.135 nan 8.270 nan 0.000 0.477 115 L N 0.933 122.100 121.223 -0.093 0.000 2.162 115 L HA 0.050 4.390 4.340 0.000 0.000 0.205 115 L C 1.933 178.784 176.870 -0.032 0.000 1.086 115 L CA 1.203 56.005 54.840 -0.064 0.000 0.778 115 L CB -0.087 41.936 42.059 -0.060 0.000 0.928 115 L HN 0.081 nan 8.230 nan 0.000 0.446 116 I N -0.209 120.351 120.570 -0.017 0.000 2.264 116 I HA -0.268 3.902 4.170 0.000 0.000 0.248 116 I C 2.489 178.614 176.117 0.012 0.000 1.111 116 I CA 1.285 62.587 61.300 0.004 0.000 1.382 116 I CB -1.324 36.686 38.000 0.017 0.000 1.060 116 I HN 0.444 nan 8.210 nan 0.000 0.418 117 Q N 1.397 121.203 119.800 0.011 0.000 2.020 117 Q HA -0.106 4.234 4.340 0.000 0.000 0.202 117 Q C 2.322 178.326 176.000 0.007 0.000 0.982 117 Q CA 2.417 58.231 55.803 0.018 0.000 0.838 117 Q CB -0.377 28.374 28.738 0.021 0.000 0.899 117 Q HN 0.431 nan 8.270 nan 0.000 0.423 118 A N 0.606 123.419 122.820 -0.011 0.000 1.859 118 A HA -0.153 4.167 4.320 0.000 0.000 0.217 118 A C 2.354 179.938 177.584 -0.001 0.000 1.198 118 A CA 2.479 54.509 52.037 -0.013 0.000 0.629 118 A CB -1.516 17.465 19.000 -0.031 0.000 0.830 118 A HN 0.576 nan 8.150 nan 0.000 0.446 119 A N -0.713 122.106 122.820 -0.002 0.000 1.908 119 A HA 0.066 4.386 4.320 0.000 0.000 0.218 119 A C 2.440 180.038 177.584 0.024 0.000 1.181 119 A CA 2.135 54.176 52.037 0.007 0.000 0.627 119 A CB -1.469 17.534 19.000 0.005 0.000 0.818 119 A HN 0.844 nan 8.150 nan 0.000 0.445 120 G N -0.587 108.229 108.800 0.027 0.000 2.418 120 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 120 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 120 G C 1.436 176.363 174.900 0.046 0.000 1.158 120 G CA 1.030 46.154 45.100 0.040 0.000 0.771 120 G HN 0.669 nan 8.290 nan 0.000 0.545 121 E N 0.519 120.739 120.200 0.033 0.000 2.047 121 E HA 0.010 4.360 4.350 0.000 0.000 0.191 121 E C 2.955 179.577 176.600 0.036 0.000 0.987 121 E CA 0.706 57.126 56.400 0.033 0.000 0.799 121 E CB -0.210 29.503 29.700 0.022 0.000 0.752 121 E HN 0.382 nan 8.360 nan 0.000 0.449 122 A N 1.182 124.017 122.820 0.025 0.000 1.917 122 A HA -0.244 4.077 4.320 0.000 0.000 0.219 122 A C 2.176 179.775 177.584 0.026 0.000 1.182 122 A CA 1.602 53.648 52.037 0.016 0.000 0.633 122 A CB -0.507 18.495 19.000 0.004 0.000 0.819 122 A HN 0.160 nan 8.150 nan 0.000 0.448 123 M N -1.774 117.858 119.600 0.054 0.000 2.086 123 M HA -0.147 4.333 4.480 0.000 0.000 0.261 123 M C 2.480 178.893 176.300 0.188 0.000 1.067 123 M CA 1.750 57.111 55.300 0.101 0.000 1.116 123 M CB -0.307 32.395 32.600 0.170 0.000 1.348 123 M HN 0.404 nan 8.290 nan 0.000 0.407 124 R N 0.549 121.151 120.500 0.170 0.000 2.091 124 R HA -0.127 4.213 4.340 0.000 0.000 0.238 124 R C 2.039 178.420 176.300 0.135 0.000 1.136 124 R CA 1.306 57.511 56.100 0.175 0.000 0.959 124 R CB -0.343 30.012 30.300 0.092 0.000 0.856 124 R HN 0.379 nan 8.270 nan 0.000 0.437 125 L N -0.363 120.905 121.223 0.074 0.000 2.083 125 L HA -0.161 4.179 4.340 0.000 0.000 0.209 125 L C 2.575 179.459 176.870 0.022 0.000 1.083 125 L CA 1.249 56.114 54.840 0.041 0.000 0.752 125 L CB -0.475 41.596 42.059 0.021 0.000 0.899 125 L HN 0.292 nan 8.230 nan 0.000 0.433 126 A N -0.874 121.940 122.820 -0.010 0.000 1.929 126 A HA -0.189 4.131 4.320 0.000 0.000 0.216 126 A C 1.989 179.500 177.584 -0.123 0.000 1.176 126 A CA 1.151 53.130 52.037 -0.097 0.000 0.628 126 A CB -0.642 18.248 19.000 -0.183 0.000 0.816 126 A HN 0.323 nan 8.150 nan 0.000 0.444 127 Y N -0.043 120.258 120.300 0.001 0.000 2.109 127 Y HA -0.159 4.391 4.550 -0.000 0.000 0.285 127 Y C 2.541 178.442 175.900 0.002 0.000 1.131 127 Y CA 1.749 59.850 58.100 0.002 0.000 1.121 127 Y CB -0.410 38.051 38.460 0.002 0.000 0.987 127 Y HN 0.347 nan 8.280 nan 0.000 0.495 128 E N -0.001 120.302 120.200 0.171 0.000 2.114 128 E HA -0.313 4.037 4.350 0.000 0.000 0.199 128 E C 0.744 177.379 176.600 0.058 0.000 1.008 128 E CA 1.659 58.114 56.400 0.092 0.000 0.810 128 E CB -0.069 29.672 29.700 0.067 0.000 0.739 128 E HN 0.367 nan 8.360 nan 0.000 0.456 129 E N -1.359 118.866 120.200 0.041 0.000 2.694 129 E HA -0.231 4.119 4.350 0.000 0.000 0.272 129 E C -1.089 175.520 176.600 0.014 0.000 1.040 129 E CA 0.027 56.437 56.400 0.017 0.000 0.809 129 E CB -1.007 28.703 29.700 0.017 0.000 1.389 129 E HN 0.314 nan 8.360 nan 0.000 0.413 130 A N 0.883 123.713 122.820 0.017 0.000 2.309 130 A HA 0.665 4.985 4.320 0.000 0.000 0.290 130 A C 0.870 178.458 177.584 0.008 0.000 1.206 130 A CA 0.714 52.758 52.037 0.013 0.000 0.850 130 A CB 0.895 19.904 19.000 0.015 0.000 1.118 130 A HN 0.999 nan 8.150 nan 0.000 0.523 131 G N 1.277 110.080 108.800 0.005 0.000 2.661 131 G HA2 0.282 4.242 3.960 0.000 0.000 0.685 131 G HA3 0.282 4.242 3.960 0.000 0.000 0.685 131 G C 0.101 175.000 174.900 -0.001 0.000 1.298 131 G CA -0.133 44.969 45.100 0.002 0.000 0.855 131 G HN 2.205 nan 8.290 nan 0.000 0.560 132 S N -0.706 114.993 115.700 -0.002 0.000 2.580 132 S HA 0.326 4.796 4.470 0.000 0.000 0.261 132 S C 1.710 176.305 174.600 -0.007 0.000 1.366 132 S CA 0.559 58.757 58.200 -0.004 0.000 0.996 132 S CB 1.135 64.333 63.200 -0.004 0.000 0.902 132 S HN 2.030 nan 8.310 nan 0.000 0.566 133 L N 0.654 121.872 121.223 -0.009 0.000 2.046 133 L HA -0.029 4.311 4.340 0.000 0.000 0.208 133 L C 1.797 178.659 176.870 -0.013 0.000 1.077 133 L CA 2.047 56.879 54.840 -0.013 0.000 0.747 133 L CB -1.121 40.929 42.059 -0.014 0.000 0.896 133 L HN 0.747 nan 8.230 nan 0.000 0.432 134 D N -0.306 120.088 120.400 -0.010 0.000 2.097 134 D HA -0.181 4.459 4.640 0.000 0.000 0.197 134 D C 2.077 178.372 176.300 -0.008 0.000 0.984 134 D CA 1.456 55.451 54.000 -0.009 0.000 0.826 134 D CB -0.079 40.717 40.800 -0.007 0.000 0.973 134 D HN 0.493 nan 8.370 nan 0.000 0.460 135 E N 0.306 120.503 120.200 -0.006 0.000 2.070 135 E HA -0.163 4.187 4.350 0.000 0.000 0.197 135 E C 2.343 178.940 176.600 -0.005 0.000 1.004 135 E CA 0.695 57.092 56.400 -0.004 0.000 0.805 135 E CB -0.102 29.597 29.700 -0.002 0.000 0.744 135 E HN 0.295 nan 8.360 nan 0.000 0.451 136 I N 0.880 121.446 120.570 -0.007 0.000 2.099 136 I HA -0.325 3.845 4.170 0.000 0.000 0.239 136 I C 2.466 178.576 176.117 -0.012 0.000 1.066 136 I CA 1.148 62.443 61.300 -0.009 0.000 1.324 136 I CB -0.354 37.638 38.000 -0.014 0.000 1.037 136 I HN 0.119 nan 8.210 nan 0.000 0.401 137 L N 0.336 121.550 121.223 -0.015 0.000 2.013 137 L HA -0.297 4.043 4.340 0.000 0.000 0.212 137 L C 2.327 179.190 176.870 -0.012 0.000 1.073 137 L CA 1.803 56.634 54.840 -0.016 0.000 0.753 137 L CB -0.649 41.401 42.059 -0.016 0.000 0.890 137 L HN 0.336 nan 8.230 nan 0.000 0.432 138 D N -0.871 119.523 120.400 -0.010 0.000 2.117 138 D HA -0.155 4.485 4.640 0.000 0.000 0.197 138 D C 1.996 178.292 176.300 -0.007 0.000 0.987 138 D CA 1.640 55.635 54.000 -0.008 0.000 0.829 138 D CB 0.142 40.938 40.800 -0.006 0.000 0.961 138 D HN 0.188 nan 8.370 nan 0.000 0.460 139 T N -0.298 114.253 114.554 -0.006 0.000 2.668 139 T HA -0.065 4.285 4.350 0.000 0.000 0.262 139 T C 2.018 176.715 174.700 -0.005 0.000 1.045 139 T CA 1.656 63.754 62.100 -0.004 0.000 1.152 139 T CB -0.698 68.170 68.868 -0.001 0.000 0.864 139 T HN 0.233 nan 8.240 nan 0.000 0.419 140 A N 1.551 124.367 122.820 -0.006 0.000 1.940 140 A HA 0.047 4.367 4.320 0.000 0.000 0.219 140 A C 2.572 180.149 177.584 -0.010 0.000 1.176 140 A CA 2.030 54.062 52.037 -0.007 0.000 0.631 140 A CB -1.479 17.515 19.000 -0.010 0.000 0.814 140 A HN 0.521 nan 8.150 nan 0.000 0.446 141 G N -0.369 108.424 108.800 -0.012 0.000 2.453 141 G HA2 -0.248 3.712 3.960 0.000 0.000 0.215 141 G HA3 -0.248 3.712 3.960 0.000 0.000 0.215 141 G C 1.652 176.544 174.900 -0.013 0.000 1.201 141 G CA 1.107 46.199 45.100 -0.013 0.000 0.784 141 G HN 0.552 nan 8.290 nan 0.000 0.545 142 K N 0.413 120.807 120.400 -0.011 0.000 2.034 142 K HA -0.174 4.146 4.320 0.000 0.000 0.214 142 K C 2.605 179.196 176.600 -0.015 0.000 1.051 142 K CA 1.696 57.976 56.287 -0.012 0.000 0.931 142 K CB -0.211 32.284 32.500 -0.008 0.000 0.715 142 K HN 0.205 nan 8.250 nan 0.000 0.446 143 K N 0.452 120.844 120.400 -0.013 0.000 2.074 143 K HA -0.152 4.168 4.320 0.000 0.000 0.209 143 K C 2.144 178.729 176.600 -0.024 0.000 1.048 143 K CA 1.509 57.786 56.287 -0.016 0.000 0.926 143 K CB -0.162 32.333 32.500 -0.009 0.000 0.713 143 K HN 0.174 nan 8.250 nan 0.000 0.444 144 I N 0.806 121.362 120.570 -0.023 0.000 2.406 144 I HA -0.199 3.971 4.170 0.000 0.000 0.249 144 I C 1.921 178.018 176.117 -0.033 0.000 1.122 144 I CA 0.751 62.034 61.300 -0.028 0.000 1.431 144 I CB -0.030 37.957 38.000 -0.022 0.000 1.087 144 I HN 0.097 nan 8.210 nan 0.000 0.424 145 L N 0.206 121.413 121.223 -0.027 0.000 2.376 145 L HA -0.132 4.208 4.340 0.000 0.000 0.219 145 L C 2.211 179.061 176.870 -0.033 0.000 1.133 145 L CA 0.977 55.800 54.840 -0.028 0.000 0.816 145 L CB -0.556 41.491 42.059 -0.021 0.000 0.933 145 L HN 0.279 nan 8.230 nan 0.000 0.449 146 E N 0.021 120.199 120.200 -0.037 0.000 2.072 146 E HA -0.164 4.186 4.350 0.000 0.000 0.191 146 E C 2.238 178.798 176.600 -0.065 0.000 0.985 146 E CA 1.266 57.640 56.400 -0.044 0.000 0.801 146 E CB 0.087 29.762 29.700 -0.042 0.000 0.750 146 E HN 0.274 nan 8.360 nan 0.000 0.452 147 V N 0.892 120.759 119.914 -0.078 0.000 2.488 147 V HA -0.131 3.989 4.120 0.000 0.000 0.246 147 V C 2.180 178.221 176.094 -0.088 0.000 1.046 147 V CA 1.453 63.687 62.300 -0.110 0.000 1.053 147 V CB -0.507 31.244 31.823 -0.119 0.000 0.679 147 V HN 0.274 nan 8.190 nan 0.000 0.458 148 A N -0.561 122.222 122.820 -0.062 0.000 2.178 148 A HA 0.114 4.434 4.320 0.000 0.000 0.218 148 A C 1.107 178.666 177.584 -0.042 0.000 1.157 148 A CA 1.043 53.051 52.037 -0.048 0.000 0.689 148 A CB -0.363 18.616 19.000 -0.036 0.000 0.787 148 A HN 0.507 nan 8.150 nan 0.000 0.465 157 R N 1.848 122.352 120.500 0.007 0.000 2.549 157 R HA 0.566 4.906 4.340 0.000 0.000 0.291 157 R C -2.999 173.309 176.300 0.012 0.000 1.164 157 R CA -1.042 55.063 56.100 0.010 0.000 0.973 157 R CB 1.504 31.809 30.300 0.010 0.000 1.210 157 R HN 0.614 nan 8.270 nan 0.000 0.422 158 P HA 0.037 nan 4.420 nan 0.000 0.269 158 P C 0.280 177.591 177.300 0.018 0.000 1.217 158 P CA -0.433 62.675 63.100 0.013 0.000 0.783 158 P CB 0.614 32.321 31.700 0.011 0.000 0.898 159 M N 1.800 121.410 119.600 0.017 0.000 2.200 159 M HA -0.082 4.398 4.480 0.000 0.000 0.265 159 M C 1.848 178.166 176.300 0.030 0.000 1.066 159 M CA 1.606 56.919 55.300 0.021 0.000 1.127 159 M CB -0.576 32.033 32.600 0.015 0.000 1.379 159 M HN 0.169 nan 8.290 nan 0.000 0.420 160 R N 1.009 121.523 120.500 0.022 0.000 2.136 160 R HA -0.234 4.106 4.340 0.000 0.000 0.242 160 R C 2.039 178.374 176.300 0.057 0.000 1.131 160 R CA 2.373 58.487 56.100 0.023 0.000 0.937 160 R CB -1.171 29.129 30.300 -0.000 0.000 0.863 160 R HN 0.786 nan 8.270 nan 0.000 0.435 161 E N 0.022 120.254 120.200 0.054 0.000 2.208 161 E HA -0.106 4.244 4.350 0.000 0.000 0.193 161 E C 2.262 178.936 176.600 0.122 0.000 0.988 161 E CA 0.663 57.121 56.400 0.097 0.000 0.828 161 E CB -0.385 29.352 29.700 0.062 0.000 0.763 161 E HN 0.287 nan 8.360 nan 0.000 0.478 162 L N 1.010 122.281 121.223 0.078 0.000 2.056 162 L HA -0.129 4.211 4.340 0.000 0.000 0.207 162 L C 2.510 179.430 176.870 0.082 0.000 1.078 162 L CA 0.756 55.635 54.840 0.065 0.000 0.749 162 L CB -0.144 41.940 42.059 0.040 0.000 0.901 162 L HN 0.094 nan 8.230 nan 0.000 0.433 163 V N -1.035 118.935 119.914 0.093 0.000 2.453 163 V HA -0.278 3.842 4.120 0.000 0.000 0.247 163 V C 2.363 178.554 176.094 0.161 0.000 1.048 163 V CA 1.767 64.130 62.300 0.105 0.000 1.049 163 V CB -0.665 31.197 31.823 0.065 0.000 0.672 163 V HN 0.506 nan 8.190 nan 0.000 0.457 164 H N 0.755 119.870 119.070 0.075 0.000 2.353 164 H HA -0.201 4.355 4.556 -0.000 0.000 0.300 164 H C 2.310 177.716 175.328 0.131 0.000 1.090 164 H CA 2.344 58.453 56.048 0.102 0.000 1.327 164 H CB 0.037 29.836 29.762 0.060 0.000 1.383 164 H HN 0.552 nan 8.280 nan 0.000 0.508 165 E N -0.875 119.346 120.200 0.036 0.000 2.072 165 E HA -0.144 4.206 4.350 0.000 0.000 0.191 165 E C 1.904 178.509 176.600 0.010 0.000 0.985 165 E CA 1.622 58.009 56.400 -0.023 0.000 0.801 165 E CB -0.002 29.717 29.700 0.031 0.000 0.750 165 E HN 0.518 nan 8.360 nan 0.000 0.452 166 T N 0.558 115.149 114.554 0.062 0.000 2.674 166 T HA -0.168 4.182 4.350 0.000 0.000 0.265 166 T C 1.430 176.212 174.700 0.137 0.000 1.039 166 T CA 1.377 63.535 62.100 0.098 0.000 1.150 166 T CB -0.568 68.360 68.868 0.100 0.000 0.864 166 T HN 0.279 nan 8.240 nan 0.000 0.427 167 F N 1.888 121.838 119.950 0.000 0.000 2.120 167 F HA -0.158 4.369 4.527 -0.000 0.000 0.300 167 F C 2.381 178.162 175.800 -0.032 0.000 1.095 167 F CA 1.538 59.533 58.000 -0.010 0.000 1.249 167 F CB -0.136 38.859 39.000 -0.008 0.000 0.995 167 F HN 0.203 nan 8.300 nan 0.000 0.480 168 E N -1.212 118.944 120.200 -0.073 0.000 2.150 168 E HA -0.275 4.075 4.350 0.000 0.000 0.193 168 E C 2.121 178.644 176.600 -0.128 0.000 0.985 168 E CA 1.059 57.360 56.400 -0.165 0.000 0.814 168 E CB -0.504 29.099 29.700 -0.161 0.000 0.752 168 E HN 0.610 nan 8.360 nan 0.000 0.466 169 H N 0.733 119.717 119.070 -0.143 0.000 2.389 169 H HA -0.061 4.495 4.556 0.000 0.000 0.299 169 H C 2.085 177.336 175.328 -0.129 0.000 1.081 169 H CA 1.007 56.991 56.048 -0.107 0.000 1.345 169 H CB 0.143 29.866 29.762 -0.065 0.000 1.393 169 H HN 0.146 nan 8.280 nan 0.000 0.520 170 I N 0.955 121.387 120.570 -0.231 0.000 2.252 170 I HA -0.233 3.937 4.170 0.000 0.000 0.245 170 I C 2.376 178.302 176.117 -0.318 0.000 1.102 170 I CA 1.223 62.353 61.300 -0.283 0.000 1.385 170 I CB -0.256 37.612 38.000 -0.221 0.000 1.064 170 I HN 0.307 nan 8.210 nan 0.000 0.414 171 E N 0.812 120.787 120.200 -0.376 0.000 2.209 171 E HA -0.239 4.111 4.350 0.000 0.000 0.196 171 E C 2.250 178.722 176.600 -0.214 0.000 0.993 171 E CA 1.187 57.404 56.400 -0.305 0.000 0.819 171 E CB -0.143 29.363 29.700 -0.324 0.000 0.745 171 E HN 0.532 nan 8.360 nan 0.000 0.477 172 A N 0.696 123.381 122.820 -0.225 0.000 2.015 172 A HA -0.043 4.277 4.320 0.000 0.000 0.219 172 A C 1.293 178.764 177.584 -0.189 0.000 1.163 172 A CA 0.733 52.659 52.037 -0.185 0.000 0.646 172 A CB -0.151 18.738 19.000 -0.185 0.000 0.806 172 A HN 0.044 nan 8.150 nan 0.000 0.448 184 R N 0.834 121.324 120.500 -0.016 0.000 2.787 184 R HA 0.679 5.019 4.340 0.000 0.000 0.271 184 R C 0.960 177.242 176.300 -0.030 0.000 0.993 184 R CA 0.026 56.118 56.100 -0.013 0.000 0.993 184 R CB 1.722 32.017 30.300 -0.010 0.000 1.155 184 R HN 0.789 nan 8.270 nan 0.000 0.486 185 T N -2.245 112.303 114.554 -0.011 0.000 2.857 185 T HA 0.106 4.456 4.350 0.000 0.000 0.266 185 T C 1.487 176.107 174.700 -0.134 0.000 1.048 185 T CA 1.088 63.171 62.100 -0.028 0.000 1.139 185 T CB -0.328 68.597 68.868 0.096 0.000 0.874 185 T HN 1.008 nan 8.240 nan 0.000 0.455 186 G N 0.557 109.280 108.800 -0.128 0.000 2.238 186 G HA2 -0.143 3.817 3.960 0.000 0.000 0.217 186 G HA3 -0.143 3.817 3.960 0.000 0.000 0.217 186 G C 0.002 174.713 174.900 -0.316 0.000 0.996 186 G CA -0.236 44.710 45.100 -0.256 0.000 0.632 186 G HN 0.549 nan 8.290 nan 0.000 0.503 187 F N 2.640 122.579 119.950 -0.017 0.000 2.423 187 F HA 0.413 4.940 4.527 0.000 0.000 0.356 187 F C 1.682 177.498 175.800 0.025 0.000 1.170 187 F CA 0.188 58.201 58.000 0.022 0.000 1.163 187 F CB 1.285 40.320 39.000 0.058 0.000 1.318 187 F HN 0.136 nan 8.300 nan 0.000 0.569 188 K N 2.468 122.953 120.400 0.142 0.000 2.071 188 K HA -0.297 4.023 4.320 0.000 0.000 0.217 188 K C 1.442 178.104 176.600 0.104 0.000 1.054 188 K CA 2.394 58.737 56.287 0.094 0.000 0.937 188 K CB 0.001 32.543 32.500 0.070 0.000 0.719 188 K HN 0.677 nan 8.250 nan 0.000 0.454 189 E N 0.130 120.406 120.200 0.127 0.000 2.150 189 E HA -0.170 4.180 4.350 0.000 0.000 0.193 189 E C 2.049 178.701 176.600 0.088 0.000 0.985 189 E CA 0.892 57.348 56.400 0.094 0.000 0.814 189 E CB -0.051 29.700 29.700 0.086 0.000 0.752 189 E HN 0.253 nan 8.360 nan 0.000 0.466 190 L N 1.524 122.822 121.223 0.125 0.000 2.072 190 L HA -0.134 4.206 4.340 0.000 0.000 0.205 190 L C 1.483 178.407 176.870 0.090 0.000 1.079 190 L CA 1.795 56.698 54.840 0.104 0.000 0.752 190 L CB -0.181 41.967 42.059 0.148 0.000 0.906 190 L HN -0.072 nan 8.230 nan 0.000 0.436 191 D N -0.857 119.605 120.400 0.103 0.000 2.218 191 D HA -0.230 4.410 4.640 0.000 0.000 0.204 191 D C 2.045 178.373 176.300 0.046 0.000 0.976 191 D CA 0.980 55.020 54.000 0.066 0.000 0.853 191 D CB 0.026 40.860 40.800 0.056 0.000 0.939 191 D HN 0.536 nan 8.370 nan 0.000 0.481 192 Q N -0.303 119.526 119.800 0.049 0.000 2.124 192 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 192 Q C 2.006 178.024 176.000 0.029 0.000 0.977 192 Q CA 0.810 56.634 55.803 0.036 0.000 0.850 192 Q CB 0.030 28.791 28.738 0.038 0.000 0.901 192 Q HN 0.194 nan 8.270 nan 0.000 0.429 193 L N 0.526 121.768 121.223 0.031 0.000 2.062 193 L HA -0.013 4.327 4.340 0.000 0.000 0.202 193 L C 2.112 178.993 176.870 0.017 0.000 1.079 193 L CA 1.508 56.361 54.840 0.021 0.000 0.755 193 L CB -0.459 41.611 42.059 0.019 0.000 0.913 193 L HN 0.448 nan 8.230 nan 0.000 0.445 194 I N -3.267 117.316 120.570 0.021 0.000 2.928 194 I HA 0.289 4.459 4.170 0.000 0.000 0.266 194 I C 1.599 177.725 176.117 0.015 0.000 1.234 194 I CA 0.686 61.995 61.300 0.015 0.000 1.483 194 I CB -0.839 37.171 38.000 0.017 0.000 1.097 194 I HN 0.417 nan 8.210 nan 0.000 0.455 195 G N 1.381 110.193 108.800 0.020 0.000 2.720 195 G HA2 -0.279 3.681 3.960 0.000 0.000 0.293 195 G HA3 -0.279 3.681 3.960 0.000 0.000 0.293 195 G C 0.202 175.111 174.900 0.015 0.000 1.256 195 G CA 0.375 45.485 45.100 0.016 0.000 0.974 195 G HN 0.485 nan 8.290 nan 0.000 0.551 196 T N 1.259 115.819 114.554 0.010 0.000 2.887 196 T HA 0.619 4.969 4.350 0.000 0.000 0.288 196 T C 0.172 174.876 174.700 0.007 0.000 1.021 196 T CA -0.537 61.567 62.100 0.008 0.000 1.000 196 T CB 1.408 70.278 68.868 0.004 0.000 1.034 196 T HN 0.611 nan 8.240 nan 0.000 0.467 197 L N 3.236 124.463 121.223 0.006 0.000 2.401 197 L HA 0.365 4.705 4.340 0.000 0.000 0.283 197 L C 1.430 178.303 176.870 0.006 0.000 1.151 197 L CA -0.679 54.165 54.840 0.006 0.000 0.942 197 L CB -0.520 41.543 42.059 0.006 0.000 1.283 197 L HN 0.716 nan 8.230 nan 0.000 0.442 198 G N 4.099 112.903 108.800 0.006 0.000 2.690 198 G HA2 0.203 4.163 3.960 0.000 0.000 0.239 198 G HA3 0.203 4.163 3.960 0.000 0.000 0.239 198 G C -2.368 172.539 174.900 0.012 0.000 1.233 198 G CA -0.678 44.427 45.100 0.008 0.000 0.847 198 G HN 0.347 nan 8.290 nan 0.000 0.588 199 P HA 0.215 nan 4.420 nan 0.000 0.275 199 P C 0.772 178.090 177.300 0.030 0.000 1.228 199 P CA 0.968 64.082 63.100 0.022 0.000 0.786 199 P CB 1.176 32.889 31.700 0.021 0.000 0.927 200 G N 1.448 110.268 108.800 0.033 0.000 2.162 200 G HA2 -0.221 3.739 3.960 0.000 0.000 0.260 200 G HA3 -0.221 3.739 3.960 0.000 0.000 0.260 200 G C 0.202 175.110 174.900 0.014 0.000 0.976 200 G CA 0.403 45.521 45.100 0.030 0.000 0.655 200 G HN 0.879 nan 8.290 nan 0.000 0.533 201 S N -0.708 114.999 115.700 0.013 0.000 2.578 201 S HA 0.770 5.240 4.470 0.000 0.000 0.283 201 S C -0.322 174.280 174.600 0.003 0.000 1.195 201 S CA -0.841 57.363 58.200 0.005 0.000 1.050 201 S CB 2.612 65.815 63.200 0.005 0.000 1.012 201 S HN 1.211 nan 8.310 nan 0.000 0.511 202 L N 2.830 124.051 121.223 -0.003 0.000 2.287 202 L HA 0.530 4.870 4.340 0.000 0.000 0.287 202 L C -1.030 175.834 176.870 -0.010 0.000 1.022 202 L CA -0.271 54.567 54.840 -0.004 0.000 0.814 202 L CB 0.684 42.739 42.059 -0.007 0.000 1.217 202 L HN 0.743 nan 8.230 nan 0.000 0.420 203 N N 6.653 125.349 118.700 -0.006 0.000 2.342 203 N HA 0.515 5.255 4.740 0.000 0.000 0.293 203 N C -1.159 174.340 175.510 -0.019 0.000 1.026 203 N CA -0.354 52.687 53.050 -0.016 0.000 0.857 203 N CB 2.469 40.954 38.487 -0.003 0.000 1.256 203 N HN 0.507 nan 8.380 nan 0.000 0.484 204 I N 2.747 123.284 120.570 -0.056 0.000 2.410 204 I HA 0.390 4.560 4.170 0.000 0.000 0.286 204 I C -0.228 175.821 176.117 -0.114 0.000 1.009 204 I CA -0.604 60.657 61.300 -0.065 0.000 1.111 204 I CB 1.684 39.640 38.000 -0.073 0.000 1.262 204 I HN 0.295 nan 8.210 nan 0.000 0.443 205 I N 6.182 126.724 120.570 -0.046 0.000 2.291 205 I HA 0.471 4.641 4.170 0.000 0.000 0.290 205 I C 0.291 176.382 176.117 -0.043 0.000 1.050 205 I CA -0.144 61.123 61.300 -0.055 0.000 1.245 205 I CB 1.120 39.157 38.000 0.062 0.000 1.405 205 I HN 0.585 nan 8.210 nan 0.000 0.478 206 A N 5.709 128.492 122.820 -0.061 0.000 2.318 206 A HA 0.963 5.283 4.320 0.000 0.000 0.317 206 A C -0.435 177.252 177.584 0.172 0.000 1.159 206 A CA -0.309 51.782 52.037 0.091 0.000 0.799 206 A CB 1.336 20.470 19.000 0.222 0.000 1.194 206 A HN 0.806 nan 8.150 nan 0.000 0.479 207 A N 2.308 125.160 122.820 0.053 0.000 2.581 207 A HA 0.778 5.098 4.320 0.000 0.000 0.290 207 A C -0.431 177.113 177.584 -0.067 0.000 1.119 207 A CA -0.793 51.239 52.037 -0.007 0.000 0.670 207 A CB 0.839 19.789 19.000 -0.083 0.000 1.280 207 A HN 0.796 nan 8.150 nan 0.000 0.425 208 R N 0.485 120.921 120.500 -0.107 0.000 2.637 208 R HA 0.416 4.756 4.340 0.000 0.000 0.269 208 R C -2.298 173.913 176.300 -0.148 0.000 1.089 208 R CA -1.556 54.477 56.100 -0.111 0.000 1.177 208 R CB 0.175 30.429 30.300 -0.078 0.000 1.091 208 R HN 0.518 nan 8.270 nan 0.000 0.540 209 P HA -0.101 nan 4.420 nan 0.000 0.265 209 P C -0.231 177.047 177.300 -0.037 0.000 1.187 209 P CA 0.704 63.758 63.100 -0.076 0.000 0.766 209 P CB 0.600 32.285 31.700 -0.026 0.000 0.820 210 A N 2.346 125.154 122.820 -0.020 0.000 2.899 210 A HA -0.217 4.103 4.320 0.000 0.000 0.257 210 A C 1.406 178.942 177.584 -0.080 0.000 1.335 210 A CA 1.323 53.377 52.037 0.029 0.000 0.924 210 A CB -2.535 16.552 19.000 0.145 0.000 1.105 210 A HN 0.483 nan 8.150 nan 0.000 0.765 211 M N -2.042 117.431 119.600 -0.211 0.000 2.506 211 M HA 0.183 4.663 4.480 0.000 0.000 0.260 211 M C 1.893 178.034 176.300 -0.265 0.000 1.104 211 M CA 1.966 57.059 55.300 -0.344 0.000 1.112 211 M CB -0.492 31.900 32.600 -0.346 0.000 1.401 211 M HN 1.705 nan 8.290 nan 0.000 0.473 212 G N 0.034 108.783 108.800 -0.085 0.000 2.205 212 G HA2 -0.226 3.734 3.960 0.000 0.000 0.180 212 G HA3 -0.226 3.734 3.960 0.000 0.000 0.180 212 G C 1.023 176.080 174.900 0.261 0.000 1.004 212 G CA 0.388 45.572 45.100 0.141 0.000 0.670 212 G HN 0.348 nan 8.290 nan 0.000 0.496 213 K N 0.134 120.584 120.400 0.085 0.000 2.044 213 K HA -0.232 4.088 4.320 0.000 0.000 0.224 213 K C 2.556 179.284 176.600 0.213 0.000 1.056 213 K CA 2.543 58.896 56.287 0.109 0.000 0.962 213 K CB -0.577 31.944 32.500 0.035 0.000 0.730 213 K HN 0.419 nan 8.250 nan 0.000 0.453 214 T N 0.749 115.413 114.554 0.182 0.000 2.708 214 T HA -0.164 4.186 4.350 0.000 0.000 0.266 214 T C 2.017 176.853 174.700 0.227 0.000 1.037 214 T CA 1.421 63.631 62.100 0.184 0.000 1.146 214 T CB -0.404 68.559 68.868 0.159 0.000 0.865 214 T HN 0.409 nan 8.240 nan 0.000 0.435 215 A N 1.125 124.128 122.820 0.305 0.000 1.908 215 A HA -0.073 4.247 4.320 0.000 0.000 0.218 215 A C 2.043 179.924 177.584 0.496 0.000 1.181 215 A CA 1.552 53.825 52.037 0.393 0.000 0.627 215 A CB -1.005 18.282 19.000 0.479 0.000 0.818 215 A HN 0.475 nan 8.150 nan 0.000 0.445 216 F N 0.834 120.982 119.950 0.330 0.000 2.113 216 F HA 0.002 4.529 4.527 0.000 0.000 0.297 216 F C 2.526 178.380 175.800 0.090 0.000 1.103 216 F CA 1.108 59.129 58.000 0.035 0.000 1.248 216 F CB -0.537 38.189 39.000 -0.457 0.000 0.999 216 F HN 0.246 nan 8.300 nan 0.000 0.475 217 A N 0.814 123.680 122.820 0.077 0.000 1.877 217 A HA -0.151 4.169 4.320 0.000 0.000 0.216 217 A C 2.306 179.867 177.584 -0.037 0.000 1.186 217 A CA 1.878 53.901 52.037 -0.023 0.000 0.620 217 A CB -1.284 17.766 19.000 0.083 0.000 0.822 217 A HN 0.489 nan 8.150 nan 0.000 0.443 218 L N -0.521 120.726 121.223 0.040 0.000 2.131 218 L HA -0.169 4.171 4.340 0.000 0.000 0.210 218 L C 2.706 179.573 176.870 -0.005 0.000 1.092 218 L CA 1.679 56.536 54.840 0.028 0.000 0.759 218 L CB -1.006 41.094 42.059 0.068 0.000 0.903 218 L HN 0.375 nan 8.230 nan 0.000 0.435 219 T N 0.221 114.783 114.554 0.013 0.000 2.746 219 T HA -0.137 4.213 4.350 0.000 0.000 0.267 219 T C 1.909 176.505 174.700 -0.174 0.000 1.039 219 T CA 1.297 63.376 62.100 -0.034 0.000 1.142 219 T CB -0.196 68.740 68.868 0.113 0.000 0.866 219 T HN 0.207 nan 8.240 nan 0.000 0.444 220 I N 1.445 121.887 120.570 -0.213 0.000 2.226 220 I HA -0.168 4.002 4.170 0.000 0.000 0.245 220 I C 2.932 178.967 176.117 -0.137 0.000 1.100 220 I CA 1.095 62.266 61.300 -0.214 0.000 1.374 220 I CB -0.527 37.334 38.000 -0.231 0.000 1.057 220 I HN 0.187 nan 8.210 nan 0.000 0.413 221 A N 0.382 123.143 122.820 -0.098 0.000 1.865 221 A HA -0.284 4.036 4.320 0.000 0.000 0.217 221 A C 2.281 179.818 177.584 -0.080 0.000 1.191 221 A CA 1.807 53.803 52.037 -0.070 0.000 0.623 221 A CB -0.772 18.200 19.000 -0.047 0.000 0.826 221 A HN 0.479 nan 8.150 nan 0.000 0.444 222 Q N -0.508 119.244 119.800 -0.081 0.000 2.096 222 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 222 Q C 1.975 177.917 176.000 -0.096 0.000 0.982 222 Q CA 1.439 57.193 55.803 -0.082 0.000 0.850 222 Q CB -0.290 28.407 28.738 -0.068 0.000 0.901 222 Q HN 0.631 nan 8.270 nan 0.000 0.422 223 N N 0.677 119.302 118.700 -0.126 0.000 2.058 223 N HA -0.144 4.596 4.740 0.000 0.000 0.191 223 N C 1.752 177.201 175.510 -0.102 0.000 1.037 223 N CA 1.483 54.450 53.050 -0.137 0.000 0.848 223 N CB -0.451 37.911 38.487 -0.207 0.000 1.021 223 N HN 0.247 nan 8.380 nan 0.000 0.422 224 A N 0.926 123.691 122.820 -0.091 0.000 1.883 224 A HA -0.041 4.279 4.320 0.000 0.000 0.217 224 A C 2.346 179.897 177.584 -0.055 0.000 1.186 224 A CA 2.273 54.272 52.037 -0.064 0.000 0.624 224 A CB -0.859 18.110 19.000 -0.051 0.000 0.822 224 A HN 0.359 nan 8.150 nan 0.000 0.444 225 A N -1.057 121.725 122.820 -0.063 0.000 1.930 225 A HA 0.187 4.507 4.320 0.000 0.000 0.215 225 A C 2.077 179.624 177.584 -0.062 0.000 1.176 225 A CA 1.335 53.333 52.037 -0.064 0.000 0.632 225 A CB -0.359 18.587 19.000 -0.090 0.000 0.819 225 A HN 0.438 nan 8.150 nan 0.000 0.445 226 L N -1.999 119.184 121.223 -0.067 0.000 2.463 226 L HA 0.131 4.471 4.340 0.000 0.000 0.219 226 L C 2.322 179.160 176.870 -0.054 0.000 1.088 226 L CA 0.814 55.618 54.840 -0.060 0.000 0.849 226 L CB 0.051 42.072 42.059 -0.063 0.000 1.012 226 L HN 0.265 nan 8.230 nan 0.000 0.468 227 K N 0.158 120.524 120.400 -0.058 0.000 2.190 227 K HA 0.037 4.357 4.320 0.000 0.000 0.202 227 K C 1.505 178.079 176.600 -0.042 0.000 1.045 227 K CA 0.762 57.017 56.287 -0.053 0.000 0.976 227 K CB 0.436 32.895 32.500 -0.067 0.000 0.849 227 K HN 0.131 nan 8.250 nan 0.000 0.468 228 E N -1.138 119.037 120.200 -0.042 0.000 2.498 228 E HA 0.162 4.512 4.350 0.000 0.000 0.203 228 E C 0.469 177.055 176.600 -0.023 0.000 1.013 228 E CA 0.407 56.788 56.400 -0.031 0.000 0.927 228 E CB 1.018 30.700 29.700 -0.030 0.000 1.012 228 E HN 0.455 nan 8.360 nan 0.000 0.482 229 G N 2.111 110.895 108.800 -0.026 0.000 2.189 229 G HA2 -0.310 3.650 3.960 0.000 0.000 0.267 229 G HA3 -0.310 3.650 3.960 0.000 0.000 0.267 229 G C 0.367 175.262 174.900 -0.008 0.000 0.975 229 G CA 0.563 45.652 45.100 -0.018 0.000 0.644 229 G HN 0.330 nan 8.290 nan 0.000 0.537 230 V N 1.310 121.219 119.914 -0.009 0.000 2.488 230 V HA 0.686 4.806 4.120 0.000 0.000 0.277 230 V C 1.148 177.250 176.094 0.014 0.000 1.046 230 V CA 0.364 62.667 62.300 0.006 0.000 0.986 230 V CB 0.934 32.758 31.823 0.003 0.000 0.989 230 V HN 1.095 nan 8.190 nan 0.000 0.475 231 G N 5.809 114.641 108.800 0.053 0.000 2.398 231 G HA2 0.474 4.434 3.960 0.000 0.000 0.246 231 G HA3 0.474 4.434 3.960 0.000 0.000 0.246 231 G C -0.350 174.604 174.900 0.092 0.000 1.289 231 G CA 0.330 45.491 45.100 0.101 0.000 0.869 231 G HN 1.640 nan 8.290 nan 0.000 0.543 232 V N 0.830 120.778 119.914 0.057 0.000 2.680 232 V HA 0.964 5.084 4.120 0.000 0.000 0.309 232 V C 0.259 176.408 176.094 0.090 0.000 1.052 232 V CA -0.454 61.877 62.300 0.052 0.000 0.908 232 V CB 1.854 33.676 31.823 -0.002 0.000 1.001 232 V HN 1.028 nan 8.190 nan 0.000 0.431 233 G N 4.390 113.241 108.800 0.085 0.000 2.487 233 G HA2 0.706 4.666 3.960 0.000 0.000 0.314 233 G HA3 0.706 4.666 3.960 0.000 0.000 0.314 233 G C -0.927 173.950 174.900 -0.039 0.000 1.267 233 G CA -0.722 44.399 45.100 0.034 0.000 0.937 233 G HN 0.848 nan 8.290 nan 0.000 0.481 234 I N 1.667 122.158 120.570 -0.131 0.000 2.378 234 I HA 0.234 4.404 4.170 0.000 0.000 0.291 234 I C -0.936 175.035 176.117 -0.244 0.000 0.992 234 I CA -0.869 60.376 61.300 -0.092 0.000 1.154 234 I CB 1.838 39.817 38.000 -0.035 0.000 1.315 234 I HN 0.422 nan 8.210 nan 0.000 0.448 235 Y N 4.444 124.766 120.300 0.037 0.000 2.676 235 Y HA 0.177 4.727 4.550 0.000 0.000 0.338 235 Y C 0.920 176.834 175.900 0.023 0.000 1.057 235 Y CA -0.155 57.960 58.100 0.026 0.000 1.314 235 Y CB 1.091 39.561 38.460 0.016 0.000 1.164 235 Y HN 0.463 nan 8.280 nan 0.000 0.509 236 S N 4.239 119.989 115.700 0.082 0.000 2.494 236 S HA 0.234 4.704 4.470 0.000 0.000 0.312 236 S C 0.829 175.465 174.600 0.060 0.000 1.121 236 S CA -0.357 57.885 58.200 0.069 0.000 1.068 236 S CB -0.075 63.150 63.200 0.042 0.000 1.141 236 S HN 0.782 nan 8.310 nan 0.000 0.527 237 L N 3.925 125.171 121.223 0.038 0.000 2.354 237 L HA 0.241 4.581 4.340 0.000 0.000 0.212 237 L C 2.459 179.303 176.870 -0.044 0.000 1.091 237 L CA 0.539 55.367 54.840 -0.019 0.000 0.828 237 L CB -0.159 41.847 42.059 -0.088 0.000 0.973 237 L HN 0.601 nan 8.230 nan 0.000 0.461 238 E N 0.879 121.068 120.200 -0.018 0.000 2.021 238 E HA -0.091 4.259 4.350 0.000 0.000 0.189 238 E C 0.878 177.510 176.600 0.053 0.000 0.980 238 E CA 0.721 57.140 56.400 0.030 0.000 0.803 238 E CB 0.233 30.030 29.700 0.161 0.000 0.766 238 E HN 0.318 nan 8.360 nan 0.000 0.449 239 M N 0.226 119.863 119.600 0.062 0.000 2.662 239 M HA 0.581 5.061 4.480 0.000 0.000 0.310 239 M C -2.623 173.701 176.300 0.041 0.000 1.204 239 M CA -2.438 52.894 55.300 0.054 0.000 0.891 239 M CB 2.075 34.714 32.600 0.065 0.000 1.732 239 M HN -0.301 nan 8.290 nan 0.000 0.467 240 P HA 0.077 nan 4.420 nan 0.000 0.269 240 P C 0.258 177.573 177.300 0.025 0.000 1.209 240 P CA 0.178 63.294 63.100 0.027 0.000 0.776 240 P CB 0.513 32.227 31.700 0.024 0.000 0.876 241 A N 3.657 126.488 122.820 0.018 0.000 1.892 241 A HA -0.223 4.097 4.320 0.000 0.000 0.218 241 A C 2.261 179.851 177.584 0.011 0.000 1.188 241 A CA 2.556 54.599 52.037 0.011 0.000 0.631 241 A CB -1.630 17.371 19.000 0.002 0.000 0.822 241 A HN 0.593 nan 8.150 nan 0.000 0.447 242 A N -1.109 121.719 122.820 0.013 0.000 1.933 242 A HA -0.206 4.114 4.320 0.000 0.000 0.218 242 A C 2.197 179.792 177.584 0.018 0.000 1.175 242 A CA 1.873 53.918 52.037 0.013 0.000 0.628 242 A CB -0.527 18.482 19.000 0.014 0.000 0.814 242 A HN 0.702 nan 8.150 nan 0.000 0.444 243 Q N -0.943 118.871 119.800 0.024 0.000 2.049 243 Q HA -0.123 4.217 4.340 0.000 0.000 0.198 243 Q C 1.985 178.006 176.000 0.035 0.000 0.971 243 Q CA 1.451 57.273 55.803 0.030 0.000 0.833 243 Q CB -0.251 28.508 28.738 0.034 0.000 0.896 243 Q HN 0.515 nan 8.270 nan 0.000 0.434 244 L N 0.522 121.766 121.223 0.036 0.000 2.043 244 L HA -0.217 4.123 4.340 0.000 0.000 0.212 244 L C 2.178 179.068 176.870 0.033 0.000 1.075 244 L CA 2.141 57.005 54.840 0.041 0.000 0.752 244 L CB -0.664 41.417 42.059 0.037 0.000 0.891 244 L HN 0.254 nan 8.230 nan 0.000 0.432 245 T N -0.550 114.016 114.554 0.019 0.000 2.708 245 T HA -0.199 4.151 4.350 0.000 0.000 0.266 245 T C 1.756 176.465 174.700 0.015 0.000 1.037 245 T CA 1.591 63.696 62.100 0.009 0.000 1.146 245 T CB -0.411 68.456 68.868 -0.001 0.000 0.865 245 T HN 0.282 nan 8.240 nan 0.000 0.435 246 L N 1.563 122.798 121.223 0.020 0.000 2.013 246 L HA -0.115 4.225 4.340 0.000 0.000 0.212 246 L C 2.491 179.380 176.870 0.031 0.000 1.073 246 L CA 1.774 56.629 54.840 0.023 0.000 0.753 246 L CB -0.475 41.600 42.059 0.027 0.000 0.890 246 L HN 0.032 nan 8.230 nan 0.000 0.432 247 R N -0.579 119.946 120.500 0.041 0.000 2.094 247 R HA -0.229 4.111 4.340 0.000 0.000 0.239 247 R C 2.281 178.616 176.300 0.058 0.000 1.137 247 R CA 2.223 58.356 56.100 0.054 0.000 0.943 247 R CB -1.125 29.215 30.300 0.066 0.000 0.850 247 R HN 0.553 nan 8.270 nan 0.000 0.433 248 M N 0.010 119.641 119.600 0.052 0.000 2.159 248 M HA -0.125 4.355 4.480 0.000 0.000 0.263 248 M C 2.068 178.389 176.300 0.034 0.000 1.063 248 M CA 1.606 56.936 55.300 0.050 0.000 1.110 248 M CB -0.001 32.620 32.600 0.036 0.000 1.374 248 M HN 0.046 nan 8.290 nan 0.000 0.411 249 M N -0.748 118.863 119.600 0.018 0.000 2.175 249 M HA -0.180 4.300 4.480 0.000 0.000 0.264 249 M C 2.112 178.415 176.300 0.004 0.000 1.063 249 M CA 1.137 56.437 55.300 0.001 0.000 1.119 249 M CB -0.484 32.110 32.600 -0.010 0.000 1.377 249 M HN 0.467 nan 8.290 nan 0.000 0.415 250 C N -0.335 118.977 119.300 0.020 0.000 2.468 250 C HA -0.009 4.451 4.460 0.000 0.000 0.277 250 C C 2.882 177.895 174.990 0.038 0.000 1.400 250 C CA 0.602 59.632 59.018 0.021 0.000 1.770 250 C CB -0.877 26.883 27.740 0.032 0.000 1.905 250 C HN 0.521 nan 8.230 nan 0.000 0.519 251 S N 0.963 116.706 115.700 0.071 0.000 2.345 251 S HA -0.111 4.359 4.470 0.000 0.000 0.219 251 S C 1.846 176.518 174.600 0.120 0.000 1.031 251 S CA 1.057 59.341 58.200 0.139 0.000 0.984 251 S CB -0.249 63.032 63.200 0.135 0.000 0.874 251 S HN 0.595 nan 8.310 nan 0.000 0.451 252 E N 2.104 122.341 120.200 0.062 0.000 2.077 252 E HA -0.032 4.318 4.350 0.000 0.000 0.193 252 E C 2.123 178.711 176.600 -0.020 0.000 0.989 252 E CA 1.129 57.548 56.400 0.031 0.000 0.800 252 E CB -0.657 29.049 29.700 0.010 0.000 0.746 252 E HN 0.491 nan 8.360 nan 0.000 0.452 253 A N 0.720 123.514 122.820 -0.042 0.000 2.248 253 A HA -0.098 4.222 4.320 0.000 0.000 0.210 253 A C 1.209 178.708 177.584 -0.141 0.000 1.174 253 A CA 0.865 52.856 52.037 -0.077 0.000 0.750 253 A CB -0.702 18.258 19.000 -0.066 0.000 0.780 253 A HN 0.296 nan 8.150 nan 0.000 0.478 254 R N -1.414 118.958 120.500 -0.215 0.000 3.422 254 R HA -0.160 4.180 4.340 0.000 0.000 0.267 254 R C -1.152 174.869 176.300 -0.466 0.000 1.074 254 R CA 0.510 56.251 56.100 -0.598 0.000 0.718 254 R CB -2.120 27.860 30.300 -0.532 0.000 1.157 254 R HN 0.543 nan 8.270 nan 0.000 0.440 255 I N 1.685 122.130 120.570 -0.208 0.000 2.325 255 I HA 0.120 4.290 4.170 0.000 0.000 0.291 255 I C 0.547 176.653 176.117 -0.019 0.000 1.019 255 I CA -0.517 60.727 61.300 -0.093 0.000 1.302 255 I CB 0.875 38.855 38.000 -0.033 0.000 1.401 255 I HN 0.071 nan 8.210 nan 0.000 0.485 256 D N 6.599 126.991 120.400 -0.013 0.000 2.443 256 D HA 0.011 4.651 4.640 0.000 0.000 0.239 256 D C 1.105 177.425 176.300 0.033 0.000 1.136 256 D CA -0.009 54.014 54.000 0.039 0.000 0.879 256 D CB 1.008 41.817 40.800 0.015 0.000 1.195 256 D HN 0.428 nan 8.370 nan 0.000 0.443 257 M N 2.020 121.643 119.600 0.039 0.000 2.267 257 M HA -0.160 4.320 4.480 0.000 0.000 0.263 257 M C 1.271 177.582 176.300 0.018 0.000 1.063 257 M CA 1.212 56.529 55.300 0.029 0.000 1.090 257 M CB -0.855 31.760 32.600 0.025 0.000 1.392 257 M HN 0.319 nan 8.290 nan 0.000 0.422 258 N N 1.020 119.727 118.700 0.011 0.000 2.104 258 N HA -0.176 4.564 4.740 0.000 0.000 0.190 258 N C 1.411 176.924 175.510 0.006 0.000 1.024 258 N CA 1.362 54.416 53.050 0.005 0.000 0.853 258 N CB -0.432 38.055 38.487 0.000 0.000 1.008 258 N HN 0.551 nan 8.380 nan 0.000 0.424 259 R N -0.156 120.348 120.500 0.006 0.000 2.317 259 R HA 0.283 4.623 4.340 0.000 0.000 0.208 259 R C 0.975 177.282 176.300 0.011 0.000 0.914 259 R CA 0.115 56.218 56.100 0.006 0.000 1.060 259 R CB 0.018 30.319 30.300 0.002 0.000 1.015 259 R HN -0.001 nan 8.270 nan 0.000 0.498 260 V N 1.865 121.788 119.914 0.016 0.000 2.300 260 V HA -0.081 4.039 4.120 0.000 0.000 0.241 260 V C 1.490 177.595 176.094 0.019 0.000 1.034 260 V CA 1.237 63.550 62.300 0.021 0.000 1.021 260 V CB -0.337 31.502 31.823 0.027 0.000 0.662 260 V HN 0.418 nan 8.190 nan 0.000 0.458 266 T N 0.395 114.957 114.554 0.014 0.000 2.940 266 T HA 0.097 4.447 4.350 0.000 0.000 0.309 266 T C 0.799 175.520 174.700 0.036 0.000 1.056 266 T CA 0.543 62.651 62.100 0.013 0.000 1.137 266 T CB 0.789 69.660 68.868 0.005 0.000 0.976 266 T HN 0.871 nan 8.240 nan 0.000 0.547 267 D N 2.685 123.101 120.400 0.026 0.000 2.218 267 D HA -0.143 4.497 4.640 0.000 0.000 0.204 267 D C 1.784 178.139 176.300 0.091 0.000 0.976 267 D CA 1.004 55.034 54.000 0.050 0.000 0.853 267 D CB -0.169 40.638 40.800 0.010 0.000 0.939 267 D HN 0.489 nan 8.370 nan 0.000 0.481 268 R N 0.324 120.853 120.500 0.049 0.000 2.120 268 R HA -0.078 4.262 4.340 0.000 0.000 0.234 268 R C 1.380 177.702 176.300 0.036 0.000 1.123 268 R CA 1.473 57.594 56.100 0.034 0.000 0.975 268 R CB -0.208 30.095 30.300 0.006 0.000 0.866 268 R HN 0.243 nan 8.270 nan 0.000 0.446 269 D N 0.344 120.771 120.400 0.044 0.000 2.117 269 D HA -0.164 4.476 4.640 0.000 0.000 0.198 269 D C 1.530 177.865 176.300 0.059 0.000 0.982 269 D CA 0.866 54.884 54.000 0.030 0.000 0.828 269 D CB -0.370 40.447 40.800 0.029 0.000 0.967 269 D HN 0.086 nan 8.370 nan 0.000 0.464 270 F N 2.357 122.292 119.950 -0.026 0.000 2.095 270 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 270 F C 2.447 178.234 175.800 -0.021 0.000 1.104 270 F CA 2.107 60.094 58.000 -0.021 0.000 1.232 270 F CB -0.430 38.560 39.000 -0.017 0.000 0.987 270 F HN -0.012 nan 8.300 nan 0.000 0.475 271 S N 0.415 116.107 115.700 -0.013 0.000 2.382 271 S HA -0.215 4.255 4.470 0.000 0.000 0.228 271 S C 2.083 176.595 174.600 -0.147 0.000 1.027 271 S CA 1.179 59.314 58.200 -0.108 0.000 0.991 271 S CB -0.779 62.427 63.200 0.010 0.000 0.823 271 S HN 0.511 nan 8.310 nan 0.000 0.469 272 R N 0.201 120.641 120.500 -0.101 0.000 2.092 272 R HA 0.125 4.465 4.340 0.000 0.000 0.231 272 R C 2.230 178.452 176.300 -0.130 0.000 1.119 272 R CA 1.112 57.154 56.100 -0.097 0.000 0.970 272 R CB -0.588 29.668 30.300 -0.074 0.000 0.864 272 R HN 0.328 nan 8.270 nan 0.000 0.440 273 L N 0.605 121.725 121.223 -0.171 0.000 2.141 273 L HA -0.095 4.245 4.340 0.000 0.000 0.209 273 L C 2.046 178.763 176.870 -0.255 0.000 1.094 273 L CA 1.322 56.051 54.840 -0.186 0.000 0.763 273 L CB -0.107 41.852 42.059 -0.167 0.000 0.908 273 L HN -0.093 nan 8.230 nan 0.000 0.437 274 V N -0.534 119.151 119.914 -0.382 0.000 2.307 274 V HA -0.270 3.850 4.120 0.000 0.000 0.245 274 V C 2.226 178.208 176.094 -0.187 0.000 1.045 274 V CA 1.825 63.920 62.300 -0.342 0.000 1.024 274 V CB -0.666 30.911 31.823 -0.410 0.000 0.651 274 V HN 0.388 nan 8.190 nan 0.000 0.449 275 D N 0.201 120.510 120.400 -0.152 0.000 2.092 275 D HA -0.145 4.495 4.640 0.000 0.000 0.193 275 D C 2.207 178.454 176.300 -0.087 0.000 0.994 275 D CA 1.467 55.407 54.000 -0.100 0.000 0.828 275 D CB -0.544 40.207 40.800 -0.081 0.000 0.963 275 D HN 0.273 nan 8.370 nan 0.000 0.450 276 V N 1.440 121.299 119.914 -0.090 0.000 2.282 276 V HA -0.292 3.828 4.120 0.000 0.000 0.249 276 V C 2.520 178.571 176.094 -0.071 0.000 1.057 276 V CA 2.029 64.286 62.300 -0.072 0.000 1.032 276 V CB -0.923 30.860 31.823 -0.066 0.000 0.645 276 V HN 0.216 nan 8.190 nan 0.000 0.447 277 A N -0.762 122.006 122.820 -0.087 0.000 1.908 277 A HA -0.261 4.059 4.320 0.000 0.000 0.218 277 A C 2.564 180.108 177.584 -0.068 0.000 1.181 277 A CA 2.353 54.344 52.037 -0.077 0.000 0.627 277 A CB -0.856 18.089 19.000 -0.092 0.000 0.818 277 A HN 0.500 nan 8.150 nan 0.000 0.445 278 S N -0.717 114.939 115.700 -0.073 0.000 2.382 278 S HA -0.172 4.298 4.470 0.000 0.000 0.228 278 S C 2.166 176.735 174.600 -0.052 0.000 1.027 278 S CA 1.489 59.653 58.200 -0.060 0.000 0.991 278 S CB -0.307 62.856 63.200 -0.061 0.000 0.823 278 S HN 0.636 nan 8.310 nan 0.000 0.469 279 R N -0.179 120.289 120.500 -0.054 0.000 2.093 279 R HA 0.105 4.445 4.340 0.000 0.000 0.224 279 R C 2.119 178.387 176.300 -0.053 0.000 1.101 279 R CA 1.017 57.088 56.100 -0.050 0.000 0.979 279 R CB -0.419 29.853 30.300 -0.048 0.000 0.877 279 R HN 0.332 nan 8.270 nan 0.000 0.441 280 L N 0.697 121.887 121.223 -0.056 0.000 2.313 280 L HA 0.035 4.375 4.340 0.000 0.000 0.214 280 L C 1.736 178.566 176.870 -0.067 0.000 1.119 280 L CA 1.416 56.219 54.840 -0.061 0.000 0.809 280 L CB -0.046 41.980 42.059 -0.056 0.000 0.933 280 L HN -0.028 nan 8.230 nan 0.000 0.449 281 S N -0.435 115.230 115.700 -0.058 0.000 2.442 281 S HA -0.107 4.363 4.470 0.000 0.000 0.236 281 S C 1.651 176.216 174.600 -0.057 0.000 1.007 281 S CA 0.971 59.139 58.200 -0.054 0.000 0.965 281 S CB -0.209 62.966 63.200 -0.042 0.000 0.773 281 S HN 0.504 nan 8.310 nan 0.000 0.504 282 E N 1.360 121.526 120.200 -0.057 0.000 2.299 282 E HA 0.150 4.500 4.350 0.000 0.000 0.193 282 E C 0.803 177.360 176.600 -0.072 0.000 0.998 282 E CA 0.105 56.473 56.400 -0.053 0.000 0.851 282 E CB -0.188 29.485 29.700 -0.045 0.000 0.795 282 E HN 0.425 nan 8.360 nan 0.000 0.492 283 A N 4.001 126.766 122.820 -0.093 0.000 2.484 283 A HA 0.163 4.483 4.320 0.000 0.000 0.268 283 A C -1.969 175.495 177.584 -0.200 0.000 1.114 283 A CA -1.036 50.928 52.037 -0.122 0.000 0.780 283 A CB -0.167 18.763 19.000 -0.117 0.000 1.061 283 A HN -0.118 nan 8.150 nan 0.000 0.505 284 P HA 0.239 nan 4.420 nan 0.000 0.249 284 P C -0.866 176.098 177.300 -0.561 0.000 1.737 284 P CA 0.600 63.474 63.100 -0.377 0.000 1.128 284 P CB -0.405 31.230 31.700 -0.109 0.000 1.942 285 I N 3.632 123.798 120.570 -0.673 0.000 2.418 285 I HA 0.313 4.483 4.170 0.000 0.000 0.287 285 I C -0.388 175.359 176.117 -0.616 0.000 1.008 285 I CA -1.093 59.910 61.300 -0.495 0.000 1.104 285 I CB 1.401 39.259 38.000 -0.236 0.000 1.264 285 I HN 0.091 nan 8.210 nan 0.000 0.438 286 Y N 6.389 126.649 120.300 -0.067 0.000 2.335 286 Y HA 0.619 5.169 4.550 -0.000 0.000 0.338 286 Y C -0.089 175.730 175.900 -0.136 0.000 0.977 286 Y CA -0.807 57.240 58.100 -0.087 0.000 1.114 286 Y CB 1.437 39.847 38.460 -0.084 0.000 1.182 286 Y HN 0.335 nan 8.280 nan 0.000 0.463 287 I N 3.514 124.081 120.570 -0.006 0.000 2.382 287 I HA 0.196 4.366 4.170 0.000 0.000 0.286 287 I C -0.819 175.236 176.117 -0.105 0.000 1.002 287 I CA -0.578 60.672 61.300 -0.083 0.000 1.135 287 I CB 1.308 39.278 38.000 -0.051 0.000 1.288 287 I HN 0.583 nan 8.210 nan 0.000 0.448 288 D N 6.596 126.859 120.400 -0.228 0.000 2.373 288 D HA 0.094 4.734 4.640 0.000 0.000 0.227 288 D C 0.060 176.331 176.300 -0.048 0.000 1.091 288 D CA -0.237 53.664 54.000 -0.163 0.000 0.840 288 D CB 1.181 41.790 40.800 -0.319 0.000 1.060 288 D HN 0.551 nan 8.370 nan 0.000 0.502 289 D N 1.729 122.130 120.400 0.001 0.000 2.388 289 D HA -0.021 4.619 4.640 0.000 0.000 0.221 289 D C -0.094 176.231 176.300 0.043 0.000 1.133 289 D CA -0.298 53.718 54.000 0.026 0.000 0.831 289 D CB -0.384 40.427 40.800 0.017 0.000 0.962 289 D HN 0.074 nan 8.370 nan 0.000 0.502 290 T N 3.157 117.749 114.554 0.063 0.000 2.792 290 T HA 0.027 4.377 4.350 0.000 0.000 0.286 290 T C -1.411 173.317 174.700 0.046 0.000 0.970 290 T CA -0.631 61.503 62.100 0.057 0.000 1.187 290 T CB 1.214 70.126 68.868 0.074 0.000 0.915 290 T HN 0.031 nan 8.240 nan 0.000 0.529 291 P HA -0.151 nan 4.420 nan 0.000 0.210 291 P C 0.332 177.627 177.300 -0.008 0.000 1.151 291 P CA 1.469 64.574 63.100 0.007 0.000 0.949 291 P CB 0.132 31.835 31.700 0.006 0.000 0.786 292 D N -1.605 118.790 120.400 -0.009 0.000 2.405 292 D HA 0.234 4.874 4.640 0.000 0.000 0.264 292 D C -0.700 175.587 176.300 -0.023 0.000 1.240 292 D CA -0.366 53.619 54.000 -0.025 0.000 0.893 292 D CB -0.149 40.632 40.800 -0.033 0.000 1.198 292 D HN -0.007 nan 8.370 nan 0.000 0.514 293 L N 1.278 122.486 121.223 -0.025 0.000 2.397 293 L HA 0.358 4.698 4.340 0.000 0.000 0.271 293 L C 1.550 178.391 176.870 -0.048 0.000 1.148 293 L CA -0.327 54.493 54.840 -0.033 0.000 0.825 293 L CB 0.755 42.788 42.059 -0.044 0.000 1.117 293 L HN 0.285 nan 8.230 nan 0.000 0.456 294 T N -0.939 113.589 114.554 -0.043 0.000 2.788 294 T HA 0.227 4.577 4.350 0.000 0.000 0.280 294 T C 0.962 175.625 174.700 -0.062 0.000 0.984 294 T CA -0.660 61.413 62.100 -0.044 0.000 0.972 294 T CB 0.746 69.595 68.868 -0.031 0.000 1.039 294 T HN 0.513 nan 8.240 nan 0.000 0.530 295 L N 0.580 121.769 121.223 -0.055 0.000 2.046 295 L HA 0.052 4.392 4.340 0.000 0.000 0.208 295 L C 2.576 179.406 176.870 -0.066 0.000 1.077 295 L CA 1.806 56.606 54.840 -0.066 0.000 0.747 295 L CB -0.938 41.092 42.059 -0.048 0.000 0.896 295 L HN 0.871 nan 8.230 nan 0.000 0.432 296 M N -0.872 118.700 119.600 -0.047 0.000 2.108 296 M HA -0.266 4.214 4.480 0.000 0.000 0.261 296 M C 2.004 178.278 176.300 -0.044 0.000 1.066 296 M CA 2.096 57.373 55.300 -0.038 0.000 1.107 296 M CB -0.150 32.435 32.600 -0.025 0.000 1.356 296 M HN 0.402 nan 8.290 nan 0.000 0.406 297 E N -0.747 119.424 120.200 -0.049 0.000 2.107 297 E HA -0.147 4.203 4.350 0.000 0.000 0.191 297 E C 1.959 178.511 176.600 -0.081 0.000 0.982 297 E CA 1.289 57.662 56.400 -0.046 0.000 0.809 297 E CB -0.032 29.648 29.700 -0.033 0.000 0.756 297 E HN 0.365 nan 8.360 nan 0.000 0.459 298 V N 1.379 121.205 119.914 -0.147 0.000 2.343 298 V HA -0.266 3.854 4.120 0.000 0.000 0.247 298 V C 2.442 178.412 176.094 -0.206 0.000 1.051 298 V CA 1.729 63.853 62.300 -0.292 0.000 1.036 298 V CB -0.467 31.131 31.823 -0.375 0.000 0.654 298 V HN 0.233 nan 8.190 nan 0.000 0.451 299 R N 0.275 120.702 120.500 -0.122 0.000 2.094 299 R HA -0.225 4.115 4.340 0.000 0.000 0.239 299 R C 2.303 178.580 176.300 -0.039 0.000 1.137 299 R CA 2.036 58.093 56.100 -0.071 0.000 0.943 299 R CB -0.555 29.715 30.300 -0.049 0.000 0.850 299 R HN 0.481 nan 8.270 nan 0.000 0.433 300 A N 0.842 123.644 122.820 -0.029 0.000 1.978 300 A HA -0.163 4.157 4.320 0.000 0.000 0.220 300 A C 2.205 179.798 177.584 0.015 0.000 1.170 300 A CA 1.438 53.472 52.037 -0.005 0.000 0.636 300 A CB -0.364 18.634 19.000 -0.003 0.000 0.810 300 A HN 0.383 nan 8.150 nan 0.000 0.448 301 R N -0.899 119.616 120.500 0.024 0.000 2.075 301 R HA 0.085 4.425 4.340 0.000 0.000 0.226 301 R C 2.502 178.892 176.300 0.150 0.000 1.114 301 R CA 0.990 57.151 56.100 0.102 0.000 0.972 301 R CB -0.377 30.037 30.300 0.190 0.000 0.869 301 R HN 0.472 nan 8.270 nan 0.000 0.437 302 A N 1.253 124.142 122.820 0.116 0.000 1.972 302 A HA -0.149 4.171 4.320 0.000 0.000 0.219 302 A C 2.018 179.646 177.584 0.072 0.000 1.169 302 A CA 1.108 53.230 52.037 0.140 0.000 0.635 302 A CB -0.306 18.731 19.000 0.061 0.000 0.810 302 A HN 0.184 nan 8.150 nan 0.000 0.446 303 R N -0.761 119.761 120.500 0.037 0.000 2.075 303 R HA -0.050 4.290 4.340 0.000 0.000 0.232 303 R C 2.425 178.734 176.300 0.015 0.000 1.126 303 R CA 1.392 57.504 56.100 0.021 0.000 0.963 303 R CB -0.292 30.015 30.300 0.012 0.000 0.858 303 R HN 0.485 nan 8.270 nan 0.000 0.435 304 R N 0.413 120.923 120.500 0.018 0.000 2.092 304 R HA -0.111 4.229 4.340 0.000 0.000 0.231 304 R C 2.304 178.593 176.300 -0.018 0.000 1.119 304 R CA 0.899 57.000 56.100 0.001 0.000 0.970 304 R CB -0.396 29.908 30.300 0.006 0.000 0.864 304 R HN 0.095 nan 8.270 nan 0.000 0.440 305 L N 0.649 121.871 121.223 -0.002 0.000 1.976 305 L HA -0.161 4.179 4.340 0.000 0.000 0.209 305 L C 2.151 178.986 176.870 -0.059 0.000 1.071 305 L CA 1.633 56.447 54.840 -0.044 0.000 0.746 305 L CB -0.495 41.575 42.059 0.018 0.000 0.890 305 L HN -0.110 nan 8.230 nan 0.000 0.432 306 V N -0.947 118.961 119.914 -0.009 0.000 2.332 306 V HA -0.308 3.812 4.120 0.000 0.000 0.248 306 V C 2.787 178.867 176.094 -0.022 0.000 1.055 306 V CA 1.850 64.146 62.300 -0.007 0.000 1.038 306 V CB -0.799 31.034 31.823 0.016 0.000 0.651 306 V HN 0.678 nan 8.190 nan 0.000 0.450 307 S N -0.845 114.843 115.700 -0.021 0.000 2.351 307 S HA -0.279 4.191 4.470 0.000 0.000 0.220 307 S C 1.972 176.548 174.600 -0.040 0.000 1.035 307 S CA 2.271 60.457 58.200 -0.023 0.000 1.031 307 S CB -0.118 63.073 63.200 -0.016 0.000 0.928 307 S HN 0.727 nan 8.310 nan 0.000 0.433 308 Q N 0.463 120.225 119.800 -0.063 0.000 1.937 308 Q HA 0.116 4.456 4.340 0.000 0.000 0.198 308 Q C 1.795 177.725 176.000 -0.117 0.000 0.977 308 Q CA 1.269 57.022 55.803 -0.084 0.000 0.836 308 Q CB -0.263 28.416 28.738 -0.099 0.000 0.899 308 Q HN 0.454 nan 8.270 nan 0.000 0.437 309 N N 1.003 119.580 118.700 -0.205 0.000 2.521 309 N HA -0.039 4.701 4.740 0.000 0.000 0.188 309 N C -0.646 174.788 175.510 -0.126 0.000 1.146 309 N CA 0.329 53.206 53.050 -0.288 0.000 0.893 309 N CB 0.173 38.180 38.487 -0.800 0.000 0.975 309 N HN 0.232 nan 8.380 nan 0.000 0.451 310 Q N -0.231 119.526 119.800 -0.071 0.000 2.420 310 Q HA -0.151 4.189 4.340 0.000 0.000 0.367 310 Q C -1.099 174.914 176.000 0.022 0.000 1.369 310 Q CA 0.181 55.975 55.803 -0.016 0.000 1.080 310 Q CB -1.194 27.541 28.738 -0.005 0.000 1.223 310 Q HN 0.035 nan 8.270 nan 0.000 0.315 311 V N 0.043 119.973 119.914 0.026 0.000 2.532 311 V HA 0.581 4.701 4.120 0.000 0.000 0.295 311 V C 1.194 177.320 176.094 0.053 0.000 1.041 311 V CA 0.600 62.942 62.300 0.070 0.000 0.926 311 V CB 1.828 33.704 31.823 0.087 0.000 0.992 311 V HN 0.671 nan 8.190 nan 0.000 0.457 312 G N 3.433 112.264 108.800 0.053 0.000 3.377 312 G HA2 0.435 4.395 3.960 0.000 0.000 0.257 312 G HA3 0.435 4.395 3.960 0.000 0.000 0.257 312 G C -0.544 174.377 174.900 0.035 0.000 1.038 312 G CA 0.175 45.297 45.100 0.036 0.000 0.809 312 G HN 0.472 nan 8.290 nan 0.000 0.526 313 L N 0.392 121.643 121.223 0.047 0.000 2.549 313 L HA 0.655 4.995 4.340 0.000 0.000 0.259 313 L C -1.845 175.064 176.870 0.066 0.000 0.934 313 L CA -0.808 54.058 54.840 0.044 0.000 0.865 313 L CB 1.945 44.018 42.059 0.023 0.000 1.352 313 L HN -0.024 nan 8.230 nan 0.000 0.410 314 I N 5.387 126.004 120.570 0.078 0.000 2.545 314 I HA 0.526 4.696 4.170 0.000 0.000 0.292 314 I C -0.832 175.353 176.117 0.113 0.000 1.040 314 I CA -0.572 60.801 61.300 0.122 0.000 1.068 314 I CB 2.133 40.239 38.000 0.177 0.000 1.251 314 I HN 0.464 nan 8.210 nan 0.000 0.424 315 I N 6.456 127.105 120.570 0.132 0.000 2.389 315 I HA 0.383 4.553 4.170 0.000 0.000 0.288 315 I C -0.761 175.461 176.117 0.175 0.000 0.999 315 I CA -0.575 60.797 61.300 0.119 0.000 1.129 315 I CB 1.871 39.919 38.000 0.081 0.000 1.288 315 I HN 0.334 nan 8.210 nan 0.000 0.444 316 I N 5.669 126.330 120.570 0.151 0.000 2.315 316 I HA 0.231 4.401 4.170 0.000 0.000 0.291 316 I C -0.360 175.845 176.117 0.146 0.000 1.006 316 I CA 0.194 61.585 61.300 0.152 0.000 1.265 316 I CB 1.018 39.066 38.000 0.079 0.000 1.387 316 I HN 0.442 nan 8.210 nan 0.000 0.475 317 D N 6.764 127.255 120.400 0.153 0.000 2.421 317 D HA 0.358 4.998 4.640 0.000 0.000 0.254 317 D C -1.263 175.102 176.300 0.109 0.000 1.238 317 D CA -0.320 53.796 54.000 0.193 0.000 0.919 317 D CB 0.549 41.462 40.800 0.188 0.000 1.152 317 D HN 0.300 nan 8.370 nan 0.000 0.552 318 Y N 1.307 121.644 120.300 0.062 0.000 2.662 318 Y HA 0.450 5.000 4.550 -0.000 0.000 0.335 318 Y C 0.751 176.676 175.900 0.041 0.000 1.066 318 Y CA -1.348 56.784 58.100 0.053 0.000 1.116 318 Y CB 0.303 38.793 38.460 0.051 0.000 1.308 318 Y HN 0.113 nan 8.280 nan 0.000 0.502 319 L N 0.976 122.341 121.223 0.237 0.000 2.013 319 L HA -0.222 4.118 4.340 0.000 0.000 0.212 319 L C 2.070 178.989 176.870 0.081 0.000 1.073 319 L CA 2.029 56.941 54.840 0.121 0.000 0.753 319 L CB -0.696 41.436 42.059 0.121 0.000 0.890 319 L HN 0.836 nan 8.230 nan 0.000 0.432 320 Q N -0.579 119.342 119.800 0.201 0.000 2.541 320 Q HA -0.071 4.269 4.340 0.000 0.000 0.215 320 Q C 1.927 177.921 176.000 -0.011 0.000 0.977 320 Q CA 0.858 56.744 55.803 0.139 0.000 0.934 320 Q CB -0.475 28.423 28.738 0.267 0.000 0.988 320 Q HN 0.551 nan 8.270 nan 0.000 0.521 321 L N -0.592 120.511 121.223 -0.201 0.000 2.529 321 L HA 0.196 4.536 4.340 0.000 0.000 0.223 321 L C 0.887 177.682 176.870 -0.125 0.000 1.113 321 L CA -0.058 54.638 54.840 -0.240 0.000 0.861 321 L CB 0.001 41.790 42.059 -0.450 0.000 1.012 321 L HN 0.163 nan 8.230 nan 0.000 0.461 322 M N -0.185 119.362 119.600 -0.087 0.000 2.250 322 M HA 0.176 4.656 4.480 0.000 0.000 0.344 322 M C 0.510 176.787 176.300 -0.038 0.000 1.150 322 M CA 0.061 55.326 55.300 -0.059 0.000 1.147 322 M CB 1.452 34.021 32.600 -0.053 0.000 1.498 322 M HN 0.072 nan 8.290 nan 0.000 0.461 323 S N 0.685 116.364 115.700 -0.034 0.000 2.786 323 S HA 0.967 5.437 4.470 0.000 0.000 0.307 323 S C -0.086 174.500 174.600 -0.023 0.000 1.121 323 S CA -0.480 57.706 58.200 -0.023 0.000 0.975 323 S CB 1.818 65.006 63.200 -0.020 0.000 1.220 323 S HN 0.845 nan 8.310 nan 0.000 0.550 324 G N -0.393 108.396 108.800 -0.018 0.000 3.137 324 G HA2 0.694 4.654 3.960 0.000 0.000 0.196 324 G HA3 0.694 4.654 3.960 0.000 0.000 0.196 324 G C -2.869 172.022 174.900 -0.015 0.000 1.135 324 G CA -0.937 44.153 45.100 -0.018 0.000 0.803 324 G HN 0.655 nan 8.290 nan 0.000 0.619 334 R N 0.756 121.261 120.500 0.008 0.000 2.235 334 R HA 0.191 4.531 4.340 0.000 0.000 0.213 334 R C 1.380 177.689 176.300 0.014 0.000 1.059 334 R CA 1.070 57.177 56.100 0.012 0.000 0.997 334 R CB -0.391 29.918 30.300 0.016 0.000 0.884 334 R HN 0.385 nan 8.270 nan 0.000 0.462 335 Q N 1.269 121.077 119.800 0.013 0.000 2.046 335 Q HA -0.129 4.211 4.340 0.000 0.000 0.200 335 Q C 2.196 178.203 176.000 0.011 0.000 0.975 335 Q CA 1.558 57.369 55.803 0.014 0.000 0.836 335 Q CB -0.052 28.693 28.738 0.012 0.000 0.896 335 Q HN 0.495 nan 8.270 nan 0.000 0.428 336 Q N 0.534 120.339 119.800 0.008 0.000 2.084 336 Q HA -0.219 4.121 4.340 0.000 0.000 0.202 336 Q C 2.001 178.004 176.000 0.004 0.000 0.978 336 Q CA 1.220 57.026 55.803 0.005 0.000 0.844 336 Q CB -0.056 28.683 28.738 0.002 0.000 0.898 336 Q HN 0.396 nan 8.270 nan 0.000 0.426 337 E N 0.681 120.883 120.200 0.004 0.000 2.077 337 E HA -0.192 4.158 4.350 0.000 0.000 0.193 337 E C 1.893 178.495 176.600 0.003 0.000 0.989 337 E CA 0.804 57.205 56.400 0.002 0.000 0.800 337 E CB -0.010 29.691 29.700 0.001 0.000 0.746 337 E HN 0.332 nan 8.360 nan 0.000 0.452 338 I N 0.671 121.247 120.570 0.010 0.000 2.315 338 I HA -0.218 3.952 4.170 0.000 0.000 0.248 338 I C 2.524 178.648 176.117 0.011 0.000 1.117 338 I CA 0.840 62.148 61.300 0.014 0.000 1.404 338 I CB -0.261 37.755 38.000 0.026 0.000 1.071 338 I HN 0.168 nan 8.210 nan 0.000 0.419 339 A N 0.815 123.641 122.820 0.010 0.000 1.902 339 A HA -0.186 4.134 4.320 0.000 0.000 0.217 339 A C 2.533 180.118 177.584 0.001 0.000 1.181 339 A CA 1.902 53.943 52.037 0.007 0.000 0.623 339 A CB -0.844 18.160 19.000 0.007 0.000 0.818 339 A HN 0.423 nan 8.150 nan 0.000 0.443 340 A N -0.404 122.415 122.820 -0.001 0.000 1.972 340 A HA -0.037 4.283 4.320 0.000 0.000 0.219 340 A C 2.095 179.673 177.584 -0.010 0.000 1.169 340 A CA 1.467 53.500 52.037 -0.006 0.000 0.635 340 A CB -0.541 18.456 19.000 -0.006 0.000 0.810 340 A HN 0.508 nan 8.150 nan 0.000 0.446 341 I N -0.849 119.716 120.570 -0.008 0.000 2.286 341 I HA -0.176 3.994 4.170 0.000 0.000 0.245 341 I C 2.697 178.806 176.117 -0.012 0.000 1.104 341 I CA 1.105 62.396 61.300 -0.014 0.000 1.397 341 I CB -0.236 37.757 38.000 -0.012 0.000 1.072 341 I HN 0.218 nan 8.210 nan 0.000 0.417 342 S N 0.489 116.187 115.700 -0.004 0.000 2.359 342 S HA -0.205 4.265 4.470 0.000 0.000 0.223 342 S C 2.119 176.713 174.600 -0.009 0.000 1.039 342 S CA 1.395 59.594 58.200 -0.002 0.000 1.042 342 S CB -0.266 62.937 63.200 0.004 0.000 0.915 342 S HN 0.325 nan 8.310 nan 0.000 0.439 343 R N 0.215 120.709 120.500 -0.010 0.000 2.080 343 R HA -0.102 4.238 4.340 0.000 0.000 0.236 343 R C 2.678 178.966 176.300 -0.020 0.000 1.137 343 R CA 1.350 57.441 56.100 -0.014 0.000 0.943 343 R CB -1.110 29.182 30.300 -0.012 0.000 0.846 343 R HN 0.509 nan 8.270 nan 0.000 0.431 344 G N 1.461 110.248 108.800 -0.022 0.000 2.556 344 G HA2 -0.289 3.671 3.960 0.000 0.000 0.220 344 G HA3 -0.289 3.671 3.960 0.000 0.000 0.220 344 G C 1.494 176.374 174.900 -0.033 0.000 1.156 344 G CA 0.867 45.950 45.100 -0.028 0.000 0.766 344 G HN 0.180 nan 8.290 nan 0.000 0.583 345 L N -0.066 121.139 121.223 -0.031 0.000 2.017 345 L HA -0.080 4.260 4.340 0.000 0.000 0.208 345 L C 2.829 179.685 176.870 -0.024 0.000 1.073 345 L CA 1.666 56.488 54.840 -0.030 0.000 0.745 345 L CB -0.317 41.728 42.059 -0.024 0.000 0.894 345 L HN 0.222 nan 8.230 nan 0.000 0.432 346 K N 0.684 121.071 120.400 -0.021 0.000 2.026 346 K HA -0.143 4.177 4.320 0.000 0.000 0.208 346 K C 2.000 178.581 176.600 -0.031 0.000 1.048 346 K CA 1.755 58.029 56.287 -0.021 0.000 0.929 346 K CB -0.476 32.013 32.500 -0.018 0.000 0.713 346 K HN 0.210 nan 8.250 nan 0.000 0.439 347 A N 0.674 123.472 122.820 -0.036 0.000 1.940 347 A HA -0.130 4.190 4.320 0.000 0.000 0.219 347 A C 2.152 179.704 177.584 -0.053 0.000 1.176 347 A CA 1.720 53.727 52.037 -0.051 0.000 0.631 347 A CB -0.766 18.208 19.000 -0.044 0.000 0.814 347 A HN 0.388 nan 8.150 nan 0.000 0.446 348 L N -0.257 120.942 121.223 -0.039 0.000 2.017 348 L HA -0.046 4.294 4.340 0.000 0.000 0.208 348 L C 2.712 179.569 176.870 -0.022 0.000 1.073 348 L CA 2.204 57.025 54.840 -0.033 0.000 0.745 348 L CB -0.937 41.101 42.059 -0.035 0.000 0.894 348 L HN 0.349 nan 8.230 nan 0.000 0.432 349 A N -0.156 122.655 122.820 -0.016 0.000 1.892 349 A HA -0.279 4.041 4.320 0.000 0.000 0.218 349 A C 2.394 179.978 177.584 0.001 0.000 1.188 349 A CA 2.192 54.228 52.037 -0.001 0.000 0.631 349 A CB -0.635 18.366 19.000 0.001 0.000 0.822 349 A HN 0.548 nan 8.150 nan 0.000 0.447 350 R N -0.817 119.666 120.500 -0.028 0.000 2.083 350 R HA -0.165 4.175 4.340 0.000 0.000 0.237 350 R C 2.357 178.624 176.300 -0.054 0.000 1.137 350 R CA 1.477 57.544 56.100 -0.055 0.000 0.951 350 R CB -0.451 29.754 30.300 -0.158 0.000 0.851 350 R HN 0.778 nan 8.270 nan 0.000 0.434 351 E N 1.062 121.218 120.200 -0.074 0.000 2.118 351 E HA -0.179 4.171 4.350 0.000 0.000 0.195 351 E C 1.526 178.148 176.600 0.035 0.000 0.992 351 E CA 1.075 57.454 56.400 -0.035 0.000 0.804 351 E CB 0.098 29.776 29.700 -0.036 0.000 0.741 351 E HN 0.324 nan 8.360 nan 0.000 0.458 352 L N -0.488 120.752 121.223 0.029 0.000 2.607 352 L HA 0.243 4.583 4.340 0.000 0.000 0.228 352 L C 1.176 178.074 176.870 0.048 0.000 1.123 352 L CA 0.190 55.053 54.840 0.037 0.000 0.890 352 L CB 0.267 42.343 42.059 0.029 0.000 1.103 352 L HN 0.231 nan 8.230 nan 0.000 0.468 353 G N 2.470 111.311 108.800 0.069 0.000 2.390 353 G HA2 -0.291 3.669 3.960 0.000 0.000 0.299 353 G HA3 -0.291 3.669 3.960 0.000 0.000 0.299 353 G C 0.076 175.001 174.900 0.043 0.000 1.002 353 G CA 1.001 46.145 45.100 0.074 0.000 0.979 353 G HN 0.565 nan 8.290 nan 0.000 0.513 354 I N -3.979 116.613 120.570 0.037 0.000 2.994 354 I HA 0.786 4.956 4.170 0.000 0.000 0.306 354 I C -2.617 173.517 176.117 0.027 0.000 1.195 354 I CA -3.431 57.887 61.300 0.030 0.000 1.001 354 I CB 2.513 40.534 38.000 0.034 0.000 1.244 354 I HN -0.107 nan 8.210 nan 0.000 0.437 355 P HA 0.374 nan 4.420 nan 0.000 0.275 355 P C -0.947 176.370 177.300 0.028 0.000 1.228 355 P CA 0.096 63.209 63.100 0.021 0.000 0.786 355 P CB 1.284 32.994 31.700 0.016 0.000 0.927 356 I N 3.404 123.990 120.570 0.025 0.000 2.418 356 I HA 0.346 4.516 4.170 0.000 0.000 0.287 356 I C 0.378 176.513 176.117 0.031 0.000 1.008 356 I CA -0.974 60.347 61.300 0.034 0.000 1.104 356 I CB 1.700 39.717 38.000 0.028 0.000 1.264 356 I HN 0.088 nan 8.210 nan 0.000 0.438 357 I N 5.236 125.832 120.570 0.042 0.000 2.365 357 I HA 0.462 4.632 4.170 0.000 0.000 0.291 357 I C 0.384 176.535 176.117 0.056 0.000 1.004 357 I CA -0.228 61.098 61.300 0.043 0.000 1.311 357 I CB 1.578 39.606 38.000 0.047 0.000 1.401 357 I HN 0.580 nan 8.210 nan 0.000 0.491 358 A N 8.074 130.923 122.820 0.048 0.000 2.332 358 A HA 0.657 4.977 4.320 0.000 0.000 0.300 358 A C -0.516 177.111 177.584 0.072 0.000 1.153 358 A CA -0.591 51.483 52.037 0.061 0.000 0.764 358 A CB 0.866 19.891 19.000 0.042 0.000 1.174 358 A HN 0.681 nan 8.150 nan 0.000 0.467 359 L N 1.831 123.121 121.223 0.111 0.000 2.349 359 L HA 0.567 4.907 4.340 0.000 0.000 0.275 359 L C 0.675 177.624 176.870 0.132 0.000 1.115 359 L CA -0.189 54.721 54.840 0.117 0.000 0.820 359 L CB 1.445 43.595 42.059 0.152 0.000 1.135 359 L HN 0.665 nan 8.230 nan 0.000 0.445 360 S N 2.039 117.782 115.700 0.072 0.000 2.548 360 S HA 0.433 4.903 4.470 0.000 0.000 0.286 360 S C -0.901 173.697 174.600 -0.003 0.000 1.098 360 S CA -0.763 57.479 58.200 0.070 0.000 0.930 360 S CB 1.851 65.095 63.200 0.073 0.000 1.070 360 S HN 0.589 nan 8.310 nan 0.000 0.480 361 Q N 2.490 122.272 119.800 -0.029 0.000 2.235 361 Q HA 0.540 4.880 4.340 0.000 0.000 0.256 361 Q C -0.950 175.044 176.000 -0.011 0.000 0.951 361 Q CA -0.673 55.077 55.803 -0.088 0.000 0.890 361 Q CB 1.770 30.399 28.738 -0.180 0.000 1.279 361 Q HN 0.598 nan 8.270 nan 0.000 0.444 362 L N 1.084 122.298 121.223 -0.016 0.000 2.325 362 L HA 0.369 4.709 4.340 0.000 0.000 0.278 362 L C 0.448 177.317 176.870 -0.002 0.000 1.023 362 L CA -0.699 54.140 54.840 -0.001 0.000 0.811 362 L CB 1.704 43.753 42.059 -0.016 0.000 1.249 362 L HN 0.688 nan 8.230 nan 0.000 0.431 363 S N 1.244 116.946 115.700 0.003 0.000 2.600 363 S HA 0.241 4.711 4.470 0.000 0.000 0.265 363 S C 0.936 175.543 174.600 0.011 0.000 1.325 363 S CA -0.667 57.539 58.200 0.010 0.000 1.002 363 S CB 0.876 64.082 63.200 0.010 0.000 0.921 363 S HN 0.599 nan 8.310 nan 0.000 0.554 364 R N 0.615 121.128 120.500 0.022 0.000 2.303 364 R HA -0.093 4.247 4.340 0.000 0.000 0.225 364 R C 2.284 178.593 176.300 0.016 0.000 1.114 364 R CA 0.927 57.047 56.100 0.033 0.000 1.007 364 R CB -0.959 29.364 30.300 0.038 0.000 0.861 364 R HN 0.825 nan 8.270 nan 0.000 0.471 365 A N 0.689 123.508 122.820 -0.001 0.000 2.076 365 A HA -0.115 4.205 4.320 0.000 0.000 0.220 365 A C 2.165 179.726 177.584 -0.039 0.000 1.160 365 A CA 1.223 53.249 52.037 -0.018 0.000 0.653 365 A CB -0.235 18.752 19.000 -0.022 0.000 0.801 365 A HN 0.135 nan 8.150 nan 0.000 0.455 366 V N -0.218 119.671 119.914 -0.042 0.000 2.809 366 V HA -0.164 3.956 4.120 0.000 0.000 0.256 366 V C 1.853 177.900 176.094 -0.078 0.000 1.080 366 V CA 1.891 64.145 62.300 -0.077 0.000 1.102 366 V CB -0.666 31.109 31.823 -0.079 0.000 0.705 366 V HN 0.659 nan 8.190 nan 0.000 0.475 367 E N 0.093 120.277 120.200 -0.027 0.000 2.474 367 E HA 0.239 4.589 4.350 0.000 0.000 0.195 367 E C 1.984 178.560 176.600 -0.040 0.000 1.039 367 E CA 0.554 56.937 56.400 -0.028 0.000 0.881 367 E CB 0.191 29.954 29.700 0.104 0.000 0.970 367 E HN 0.553 nan 8.360 nan 0.000 0.486 368 A N 1.257 124.053 122.820 -0.039 0.000 2.123 368 A HA 0.029 4.349 4.320 0.000 0.000 0.214 368 A C 1.068 178.621 177.584 -0.051 0.000 1.152 368 A CA 0.252 52.269 52.037 -0.034 0.000 0.728 368 A CB 0.048 19.032 19.000 -0.025 0.000 0.814 368 A HN 0.020 nan 8.150 nan 0.000 0.464 369 R N -0.498 119.956 120.500 -0.077 0.000 2.549 369 R HA 0.354 4.694 4.340 0.000 0.000 0.267 369 R C -1.805 174.437 176.300 -0.095 0.000 1.045 369 R CA -1.893 54.156 56.100 -0.085 0.000 1.115 369 R CB 0.021 30.258 30.300 -0.105 0.000 1.121 369 R HN -0.027 nan 8.270 nan 0.000 0.543 370 P HA -0.186 nan 4.420 nan 0.000 0.214 370 P C -0.103 177.129 177.300 -0.114 0.000 1.163 370 P CA 1.259 64.312 63.100 -0.078 0.000 0.883 370 P CB 0.066 31.730 31.700 -0.060 0.000 0.788 371 N N 0.275 118.895 118.700 -0.134 0.000 2.430 371 N HA 0.014 4.754 4.740 0.000 0.000 0.265 371 N C 0.099 175.455 175.510 -0.257 0.000 1.100 371 N CA 0.257 53.193 53.050 -0.189 0.000 0.961 371 N CB 0.382 38.761 38.487 -0.179 0.000 1.075 371 N HN 0.001 nan 8.380 nan 0.000 0.478 372 K N 2.369 122.560 120.400 -0.348 0.000 2.440 372 K HA 0.114 4.434 4.320 0.000 0.000 0.206 372 K C 0.125 176.466 176.600 -0.431 0.000 1.025 372 K CA -0.262 55.790 56.287 -0.391 0.000 1.135 372 K CB 0.454 32.582 32.500 -0.620 0.000 0.856 372 K HN 0.527 nan 8.250 nan 0.000 0.502 373 R N 1.218 121.317 120.500 -0.668 0.000 2.349 373 R HA 0.326 4.666 4.340 0.000 0.000 0.299 373 R C -2.842 173.184 176.300 -0.456 0.000 1.027 373 R CA -1.963 53.691 56.100 -0.744 0.000 0.958 373 R CB 0.003 29.616 30.300 -1.145 0.000 1.047 373 R HN -0.255 nan 8.270 nan 0.000 0.468 374 P HA 0.064 nan 4.420 nan 0.000 0.271 374 P C -0.654 176.167 177.300 -0.797 0.000 1.233 374 P CA 0.051 62.731 63.100 -0.701 0.000 0.789 374 P CB 0.603 31.673 31.700 -1.050 0.000 0.951 375 M N 0.107 119.232 119.600 -0.791 0.000 2.664 375 M HA 0.289 4.769 4.480 0.000 0.000 0.279 375 M C 1.131 177.279 176.300 -0.254 0.000 1.275 375 M CA -0.814 54.238 55.300 -0.414 0.000 0.829 375 M CB 1.558 34.029 32.600 -0.215 0.000 1.727 375 M HN 0.108 nan 8.290 nan 0.000 0.459 376 L N 0.372 121.644 121.223 0.082 0.000 2.017 376 L HA -0.189 4.151 4.340 0.000 0.000 0.208 376 L C 2.549 179.456 176.870 0.062 0.000 1.073 376 L CA 2.069 57.017 54.840 0.180 0.000 0.745 376 L CB -0.614 41.526 42.059 0.134 0.000 0.894 376 L HN 1.034 nan 8.230 nan 0.000 0.432 377 S N -0.695 115.004 115.700 -0.001 0.000 2.413 377 S HA -0.272 4.198 4.470 0.000 0.000 0.237 377 S C 1.498 176.079 174.600 -0.031 0.000 1.044 377 S CA 1.764 59.952 58.200 -0.019 0.000 1.024 377 S CB -0.609 62.567 63.200 -0.040 0.000 0.829 377 S HN 0.425 nan 8.310 nan 0.000 0.475 378 D N 1.558 121.915 120.400 -0.072 0.000 2.218 378 D HA 0.047 4.687 4.640 0.000 0.000 0.204 378 D C 1.831 178.120 176.300 -0.017 0.000 0.976 378 D CA 0.726 54.676 54.000 -0.083 0.000 0.853 378 D CB -0.335 40.352 40.800 -0.189 0.000 0.939 378 D HN 0.427 nan 8.370 nan 0.000 0.481 379 L N 1.010 122.258 121.223 0.041 0.000 2.201 379 L HA -0.090 4.250 4.340 0.000 0.000 0.212 379 L C 2.572 179.467 176.870 0.042 0.000 1.105 379 L CA 0.503 55.389 54.840 0.076 0.000 0.775 379 L CB -0.260 41.876 42.059 0.129 0.000 0.913 379 L HN 0.066 nan 8.230 nan 0.000 0.440 380 R N 0.418 120.933 120.500 0.026 0.000 2.154 380 R HA -0.240 4.100 4.340 0.000 0.000 0.248 380 R C 1.538 177.846 176.300 0.013 0.000 1.155 380 R CA 1.787 57.896 56.100 0.016 0.000 0.979 380 R CB -0.609 29.694 30.300 0.006 0.000 0.869 380 R HN 0.449 nan 8.270 nan 0.000 0.452 381 E N 0.460 120.667 120.200 0.011 0.000 2.274 381 E HA -0.056 4.294 4.350 0.000 0.000 0.194 381 E C 0.775 177.386 176.600 0.019 0.000 0.996 381 E CA 0.856 57.262 56.400 0.010 0.000 0.840 381 E CB 0.121 29.823 29.700 0.004 0.000 0.772 381 E HN 0.264 nan 8.360 nan 0.000 0.491 382 S N -0.105 115.611 115.700 0.027 0.000 2.552 382 S HA 0.343 4.813 4.470 0.000 0.000 0.246 382 S C 0.138 174.756 174.600 0.030 0.000 1.019 382 S CA 0.352 58.572 58.200 0.034 0.000 1.045 382 S CB -0.207 63.021 63.200 0.046 0.000 0.784 382 S HN 0.455 nan 8.310 nan 0.000 0.453 383 G N 1.178 109.992 108.800 0.023 0.000 2.760 383 G HA2 -0.226 3.734 3.960 0.000 0.000 0.246 383 G HA3 -0.226 3.734 3.960 0.000 0.000 0.246 383 G C -0.012 174.899 174.900 0.020 0.000 1.359 383 G CA -0.318 44.793 45.100 0.018 0.000 0.861 383 G HN 1.110 nan 8.290 nan 0.000 0.541 384 S N -0.218 115.491 115.700 0.015 0.000 3.811 384 S HA 0.402 4.872 4.470 0.000 0.000 0.205 384 S C 1.814 176.424 174.600 0.016 0.000 1.445 384 S CA 0.347 58.556 58.200 0.015 0.000 1.097 384 S CB -0.264 62.943 63.200 0.010 0.000 1.350 384 S HN 0.679 nan 8.310 nan 0.000 0.471 385 I N 1.112 121.696 120.570 0.023 0.000 2.163 385 I HA -0.174 3.996 4.170 0.000 0.000 0.243 385 I C 2.990 179.117 176.117 0.017 0.000 1.085 385 I CA 1.512 62.825 61.300 0.023 0.000 1.347 385 I CB -0.222 37.800 38.000 0.035 0.000 1.044 385 I HN 0.538 nan 8.210 nan 0.000 0.408 386 E N 0.966 121.180 120.200 0.024 0.000 2.097 386 E HA -0.338 4.012 4.350 0.000 0.000 0.196 386 E C 2.028 178.633 176.600 0.007 0.000 1.000 386 E CA 1.813 58.224 56.400 0.018 0.000 0.804 386 E CB -0.167 29.555 29.700 0.037 0.000 0.740 386 E HN 0.400 nan 8.360 nan 0.000 0.454 387 Q N 0.954 120.759 119.800 0.009 0.000 2.142 387 Q HA -0.190 4.150 4.340 0.000 0.000 0.213 387 Q C 1.073 177.073 176.000 -0.000 0.000 1.004 387 Q CA 2.544 58.350 55.803 0.005 0.000 0.883 387 Q CB -0.175 28.566 28.738 0.005 0.000 0.939 387 Q HN 0.350 nan 8.270 nan 0.000 0.413 388 D N -1.312 119.087 120.400 -0.002 0.000 2.433 388 D HA 0.243 4.883 4.640 0.000 0.000 0.211 388 D C -0.577 175.718 176.300 -0.009 0.000 1.114 388 D CA 0.486 54.483 54.000 -0.006 0.000 0.837 388 D CB 0.279 41.075 40.800 -0.007 0.000 0.984 388 D HN 0.284 nan 8.370 nan 0.000 0.505 389 A N 1.117 123.930 122.820 -0.011 0.000 2.366 389 A HA 0.148 4.468 4.320 0.000 0.000 0.272 389 A C 0.905 178.477 177.584 -0.021 0.000 1.135 389 A CA -0.220 51.806 52.037 -0.019 0.000 0.804 389 A CB 0.788 19.771 19.000 -0.029 0.000 1.064 389 A HN -0.091 nan 8.150 nan 0.000 0.499 390 D N 0.699 121.087 120.400 -0.021 0.000 2.213 390 D HA 0.033 4.673 4.640 0.000 0.000 0.205 390 D C -0.014 176.268 176.300 -0.029 0.000 0.961 390 D CA 0.988 54.977 54.000 -0.019 0.000 0.853 390 D CB 0.232 41.025 40.800 -0.011 0.000 0.967 390 D HN 0.375 nan 8.370 nan 0.000 0.496 391 L N 0.988 122.187 121.223 -0.041 0.000 2.385 391 L HA 0.363 4.703 4.340 0.000 0.000 0.273 391 L C -1.370 175.434 176.870 -0.110 0.000 0.990 391 L CA -0.727 54.076 54.840 -0.062 0.000 0.821 391 L CB 2.363 44.396 42.059 -0.044 0.000 1.279 391 L HN -0.347 nan 8.230 nan 0.000 0.412 392 V N 6.098 125.909 119.914 -0.171 0.000 2.443 392 V HA 0.544 4.664 4.120 0.000 0.000 0.293 392 V C -0.164 175.640 176.094 -0.483 0.000 1.021 392 V CA -0.354 61.747 62.300 -0.332 0.000 0.848 392 V CB 1.459 33.076 31.823 -0.343 0.000 0.998 392 V HN 0.818 nan 8.190 nan 0.000 0.424 393 M N 5.166 124.453 119.600 -0.521 0.000 2.311 393 M HA 0.640 5.120 4.480 0.000 0.000 0.325 393 M C -1.335 174.614 176.300 -0.585 0.000 1.061 393 M CA -0.118 54.907 55.300 -0.459 0.000 0.957 393 M CB 2.161 34.629 32.600 -0.220 0.000 1.646 393 M HN 0.488 nan 8.290 nan 0.000 0.434 394 F N 3.295 123.165 119.950 -0.133 0.000 2.480 394 F HA 0.624 5.151 4.527 0.000 0.000 0.329 394 F C -0.196 175.480 175.800 -0.207 0.000 1.091 394 F CA -0.870 57.044 58.000 -0.143 0.000 0.972 394 F CB 1.330 40.270 39.000 -0.100 0.000 1.150 394 F HN 0.347 nan 8.300 nan 0.000 0.467 395 I N 3.198 123.754 120.570 -0.024 0.000 2.377 395 I HA 0.356 4.526 4.170 0.000 0.000 0.293 395 I C -1.260 174.844 176.117 -0.021 0.000 0.987 395 I CA -0.936 60.265 61.300 -0.165 0.000 1.185 395 I CB 1.702 39.503 38.000 -0.331 0.000 1.341 395 I HN 0.571 nan 8.210 nan 0.000 0.455 396 Y N 6.901 127.110 120.300 -0.151 0.000 2.544 396 Y HA 0.673 5.223 4.550 -0.000 0.000 0.342 396 Y C -1.385 174.470 175.900 -0.075 0.000 1.062 396 Y CA -1.026 57.014 58.100 -0.101 0.000 1.023 396 Y CB 1.701 40.129 38.460 -0.054 0.000 1.308 396 Y HN 0.643 nan 8.280 nan 0.000 0.457 397 R N 3.139 123.053 120.500 -0.975 0.000 2.536 397 R HA 0.349 4.689 4.340 0.000 0.000 0.269 397 R C -1.126 174.779 176.300 -0.659 0.000 1.113 397 R CA -0.729 54.971 56.100 -0.666 0.000 0.948 397 R CB 1.508 31.625 30.300 -0.305 0.000 1.237 397 R HN 0.568 nan 8.270 nan 0.000 0.441 398 D N 1.567 121.754 120.400 -0.354 0.000 2.116 398 D HA -0.240 4.400 4.640 0.000 0.000 0.193 398 D C 1.309 177.619 176.300 0.017 0.000 0.998 398 D CA 1.939 55.910 54.000 -0.048 0.000 0.836 398 D CB 0.173 41.017 40.800 0.074 0.000 0.951 398 D HN 0.803 nan 8.370 nan 0.000 0.449 399 E N -1.024 119.169 120.200 -0.010 0.000 2.187 399 E HA -0.273 4.077 4.350 0.000 0.000 0.199 399 E C 1.915 178.505 176.600 -0.017 0.000 1.004 399 E CA 0.886 57.289 56.400 0.005 0.000 0.813 399 E CB -0.168 29.546 29.700 0.023 0.000 0.736 399 E HN 0.464 nan 8.360 nan 0.000 0.468 400 Y N -0.696 119.473 120.300 -0.218 0.000 2.200 400 Y HA -0.249 4.301 4.550 -0.000 0.000 0.290 400 Y C 1.458 177.117 175.900 -0.401 0.000 1.137 400 Y CA 1.937 59.819 58.100 -0.363 0.000 1.163 400 Y CB -0.169 37.946 38.460 -0.575 0.000 0.988 400 Y HN 0.101 nan 8.280 nan 0.000 0.518 401 Y N 0.260 120.609 120.300 0.082 0.000 2.177 401 Y HA -0.036 4.514 4.550 0.000 0.000 0.291 401 Y C 0.594 176.485 175.900 -0.014 0.000 1.117 401 Y CA 0.706 58.831 58.100 0.042 0.000 1.114 401 Y CB -0.258 38.287 38.460 0.142 0.000 1.017 401 Y HN 0.077 nan 8.280 nan 0.000 0.505 402 N N 0.801 119.595 118.700 0.157 0.000 2.479 402 N HA 0.198 4.938 4.740 0.000 0.000 0.261 402 N C -2.935 172.586 175.510 0.018 0.000 0.979 402 N CA -2.274 50.822 53.050 0.077 0.000 0.930 402 N CB 1.466 40.022 38.487 0.116 0.000 1.172 402 N HN -0.006 nan 8.380 nan 0.000 0.499 403 P HA 0.106 nan 4.420 nan 0.000 0.253 403 P C 0.006 177.215 177.300 -0.151 0.000 1.281 403 P CA 0.590 63.612 63.100 -0.130 0.000 0.792 403 P CB 0.092 31.673 31.700 -0.199 0.000 1.193 404 H N -1.907 117.172 119.070 0.015 0.000 2.923 404 H HA 0.255 4.811 4.556 0.000 0.000 0.290 404 H C 0.597 175.939 175.328 0.023 0.000 1.365 404 H CA -0.003 56.055 56.048 0.017 0.000 1.982 404 H CB -0.287 29.485 29.762 0.016 0.000 1.551 404 H HN -0.115 nan 8.280 nan 0.000 0.591 405 S N -0.208 115.608 115.700 0.193 0.000 2.592 405 S HA 0.015 4.485 4.470 0.000 0.000 0.271 405 S C 0.711 175.368 174.600 0.096 0.000 1.326 405 S CA -0.050 58.215 58.200 0.109 0.000 1.024 405 S CB 0.476 63.724 63.200 0.080 0.000 0.921 405 S HN 0.636 nan 8.310 nan 0.000 0.527 406 E N 1.192 121.440 120.200 0.079 0.000 2.550 406 E HA 0.186 4.536 4.350 0.000 0.000 0.206 406 E C -0.516 176.120 176.600 0.061 0.000 0.845 406 E CA -0.417 56.023 56.400 0.067 0.000 1.461 406 E CB -0.051 29.685 29.700 0.060 0.000 1.452 406 E HN 0.243 nan 8.360 nan 0.000 0.780 407 K N 2.315 122.753 120.400 0.063 0.000 2.127 407 K HA 0.364 4.684 4.320 0.000 0.000 0.261 407 K C 0.721 177.354 176.600 0.054 0.000 1.129 407 K CA 0.439 56.761 56.287 0.058 0.000 0.993 407 K CB 0.857 33.393 32.500 0.059 0.000 1.410 407 K HN 0.255 nan 8.250 nan 0.000 0.380 408 A N 2.759 125.611 122.820 0.054 0.000 1.891 408 A HA -0.197 4.123 4.320 0.000 0.000 0.221 408 A C 1.370 178.987 177.584 0.055 0.000 1.394 408 A CA 2.247 54.315 52.037 0.052 0.000 0.730 408 A CB -0.635 18.395 19.000 0.050 0.000 0.845 408 A HN 0.653 nan 8.150 nan 0.000 0.471 409 G N -1.194 107.645 108.800 0.065 0.000 4.951 409 G HA2 0.518 4.478 3.960 0.000 0.000 0.282 409 G HA3 0.518 4.478 3.960 0.000 0.000 0.282 409 G C -0.456 174.500 174.900 0.094 0.000 1.301 409 G CA -0.300 44.848 45.100 0.081 0.000 0.975 409 G HN 0.320 nan 8.290 nan 0.000 0.589 410 I N 1.625 122.245 120.570 0.084 0.000 2.362 410 I HA 0.580 4.750 4.170 0.000 0.000 0.289 410 I C 0.325 176.479 176.117 0.061 0.000 0.994 410 I CA -0.831 60.516 61.300 0.078 0.000 1.158 410 I CB 2.093 40.132 38.000 0.065 0.000 1.315 410 I HN 0.210 nan 8.210 nan 0.000 0.451 411 A N 5.891 128.762 122.820 0.085 0.000 2.312 411 A HA 0.630 4.950 4.320 0.000 0.000 0.326 411 A C -0.441 177.151 177.584 0.013 0.000 1.172 411 A CA -0.537 51.523 52.037 0.038 0.000 0.821 411 A CB 0.706 19.804 19.000 0.164 0.000 1.166 411 A HN 0.730 nan 8.150 nan 0.000 0.493 412 E N 1.344 121.543 120.200 -0.000 0.000 2.166 412 E HA 0.456 4.806 4.350 0.000 0.000 0.275 412 E C -1.181 175.372 176.600 -0.079 0.000 0.941 412 E CA -0.258 56.147 56.400 0.009 0.000 0.784 412 E CB 1.852 31.623 29.700 0.119 0.000 1.115 412 E HN 0.572 nan 8.360 nan 0.000 0.399 413 I N 4.611 125.103 120.570 -0.130 0.000 2.330 413 I HA 0.269 4.439 4.170 0.000 0.000 0.286 413 I C -0.375 175.688 176.117 -0.090 0.000 1.025 413 I CA -0.485 60.692 61.300 -0.204 0.000 1.197 413 I CB 0.657 38.464 38.000 -0.322 0.000 1.358 413 I HN 0.341 nan 8.210 nan 0.000 0.467 414 I N 7.049 127.601 120.570 -0.030 0.000 2.304 414 I HA 0.188 4.358 4.170 0.000 0.000 0.291 414 I C -0.074 176.051 176.117 0.012 0.000 1.018 414 I CA -0.642 60.684 61.300 0.043 0.000 1.260 414 I CB 1.191 39.276 38.000 0.142 0.000 1.390 414 I HN 0.205 nan 8.210 nan 0.000 0.475 415 V N 6.715 126.619 119.914 -0.016 0.000 2.339 415 V HA 0.180 4.300 4.120 0.000 0.000 0.261 415 V C 1.269 177.356 176.094 -0.012 0.000 1.058 415 V CA 0.044 62.311 62.300 -0.055 0.000 0.897 415 V CB 0.674 32.472 31.823 -0.041 0.000 1.052 415 V HN 1.034 nan 8.190 nan 0.000 0.480 416 G N 4.332 113.116 108.800 -0.026 0.000 2.453 416 G HA2 0.012 3.972 3.960 0.000 0.000 0.215 416 G HA3 0.012 3.972 3.960 0.000 0.000 0.215 416 G C 0.592 175.504 174.900 0.019 0.000 1.147 416 G CA 0.172 45.322 45.100 0.083 0.000 0.802 416 G HN 0.533 nan 8.290 nan 0.000 0.535 417 K N -0.439 119.932 120.400 -0.048 0.000 2.498 417 K HA 0.515 4.835 4.320 0.000 0.000 0.254 417 K C -1.705 174.866 176.600 -0.048 0.000 0.933 417 K CA -0.725 55.541 56.287 -0.036 0.000 0.806 417 K CB 1.909 34.388 32.500 -0.034 0.000 1.301 417 K HN 0.123 nan 8.250 nan 0.000 0.432 418 Q N 2.711 122.495 119.800 -0.027 0.000 2.472 418 Q HA 0.187 4.527 4.340 0.000 0.000 0.281 418 Q C -0.098 175.894 176.000 -0.013 0.000 0.997 418 Q CA -0.556 55.233 55.803 -0.023 0.000 0.828 418 Q CB 1.744 30.471 28.738 -0.018 0.000 1.443 418 Q HN 0.825 nan 8.270 nan 0.000 0.390 419 R N 1.614 122.109 120.500 -0.010 0.000 2.066 419 R HA 0.179 4.519 4.340 0.000 0.000 0.224 419 R C -0.278 176.020 176.300 -0.002 0.000 1.122 419 R CA 0.956 57.053 56.100 -0.005 0.000 0.974 419 R CB 0.188 30.486 30.300 -0.004 0.000 0.871 419 R HN 0.390 nan 8.270 nan 0.000 0.435 420 N N 0.762 119.462 118.700 -0.001 0.000 2.531 420 N HA 0.395 5.135 4.740 0.000 0.000 0.268 420 N C -1.129 174.382 175.510 0.001 0.000 1.023 420 N CA 0.420 53.471 53.050 0.001 0.000 0.896 420 N CB 1.902 40.390 38.487 0.002 0.000 1.233 420 N HN 0.588 nan 8.380 nan 0.000 0.512 421 G N 2.350 111.151 108.800 0.001 0.000 2.335 421 G HA2 -0.023 3.937 3.960 0.000 0.000 0.592 421 G HA3 -0.023 3.937 3.960 0.000 0.000 0.592 421 G C -3.294 171.607 174.900 0.001 0.000 1.442 421 G CA -1.000 44.102 45.100 0.002 0.000 0.976 421 G HN 0.274 nan 8.290 nan 0.000 0.652 422 P HA 0.424 nan 4.420 nan 0.000 0.276 422 P C 0.663 177.963 177.300 0.000 0.000 1.252 422 P CA 0.016 63.117 63.100 0.002 0.000 0.802 422 P CB 0.713 32.415 31.700 0.003 0.000 1.035 423 T N -2.043 112.512 114.554 0.001 0.000 2.899 423 T HA 0.626 4.976 4.350 0.000 0.000 0.295 423 T C 0.453 175.156 174.700 0.003 0.000 1.033 423 T CA -0.129 61.972 62.100 0.002 0.000 1.084 423 T CB 0.559 69.432 68.868 0.008 0.000 0.979 423 T HN 0.785 nan 8.240 nan 0.000 0.532 424 G N 0.408 109.210 108.800 0.004 0.000 2.328 424 G HA2 0.487 4.447 3.960 0.000 0.000 0.295 424 G HA3 0.487 4.447 3.960 0.000 0.000 0.295 424 G C -1.152 173.749 174.900 0.002 0.000 1.413 424 G CA -0.923 44.179 45.100 0.004 0.000 0.817 424 G HN 0.824 nan 8.290 nan 0.000 0.546 425 T N 0.063 114.618 114.554 0.002 0.000 2.824 425 T HA 0.623 4.973 4.350 0.000 0.000 0.280 425 T C -0.489 174.210 174.700 -0.002 0.000 0.995 425 T CA -0.397 61.703 62.100 -0.001 0.000 1.009 425 T CB 1.768 70.638 68.868 0.004 0.000 0.955 425 T HN 0.597 nan 8.240 nan 0.000 0.452 426 V N 3.048 122.953 119.914 -0.016 0.000 2.444 426 V HA 0.365 4.485 4.120 0.000 0.000 0.294 426 V C 0.058 176.138 176.094 -0.024 0.000 1.022 426 V CA -0.853 61.441 62.300 -0.010 0.000 0.850 426 V CB 1.665 33.484 31.823 -0.007 0.000 0.992 426 V HN 0.864 nan 8.190 nan 0.000 0.426 427 E N 4.537 124.739 120.200 0.004 0.000 2.259 427 E HA 0.646 4.996 4.350 0.000 0.000 0.281 427 E C -1.193 175.421 176.600 0.024 0.000 1.027 427 E CA -0.287 56.122 56.400 0.014 0.000 0.838 427 E CB 0.994 30.715 29.700 0.035 0.000 1.066 427 E HN 0.555 nan 8.360 nan 0.000 0.401 428 L N 2.388 123.627 121.223 0.028 0.000 2.283 428 L HA 0.410 4.750 4.340 0.000 0.000 0.259 428 L C -0.190 176.753 176.870 0.122 0.000 1.027 428 L CA -1.169 53.716 54.840 0.074 0.000 0.828 428 L CB 1.915 43.986 42.059 0.020 0.000 1.380 428 L HN 0.484 nan 8.230 nan 0.000 0.425 429 Q N 0.875 120.754 119.800 0.133 0.000 2.261 429 Q HA 0.364 4.704 4.340 0.000 0.000 0.252 429 Q C -1.661 174.354 176.000 0.025 0.000 0.915 429 Q CA -0.256 55.575 55.803 0.046 0.000 0.915 429 Q CB 1.769 30.476 28.738 -0.052 0.000 1.204 429 Q HN 0.339 nan 8.270 nan 0.000 0.421 430 F N 2.902 122.707 119.950 -0.241 0.000 2.577 430 F HA 0.262 4.789 4.527 -0.000 0.000 0.344 430 F C -1.033 174.552 175.800 -0.359 0.000 1.145 430 F CA -0.641 57.081 58.000 -0.463 0.000 0.996 430 F CB 0.808 39.513 39.000 -0.493 0.000 1.248 430 F HN 0.574 nan 8.300 nan 0.000 0.447 431 H N 5.897 124.453 119.070 -0.858 0.000 3.157 431 H HA 0.361 4.917 4.556 -0.000 0.000 0.260 431 H C 1.180 175.770 175.328 -1.230 0.000 1.232 431 H CA 0.106 55.653 56.048 -0.835 0.000 1.488 431 H CB 1.151 30.430 29.762 -0.805 0.000 1.548 431 H HN 0.836 nan 8.280 nan 0.000 0.487 432 A N 3.126 125.493 122.820 -0.755 0.000 1.908 432 A HA -0.246 4.074 4.320 0.000 0.000 0.218 432 A C 2.343 179.719 177.584 -0.347 0.000 1.181 432 A CA 1.772 53.511 52.037 -0.497 0.000 0.627 432 A CB -0.582 18.366 19.000 -0.087 0.000 0.818 432 A HN 0.699 nan 8.150 nan 0.000 0.445 433 S N 0.237 115.776 115.700 -0.268 0.000 2.412 433 S HA -0.276 4.194 4.470 0.000 0.000 0.246 433 S C 1.491 176.043 174.600 -0.081 0.000 1.073 433 S CA 1.830 59.952 58.200 -0.130 0.000 1.186 433 S CB -0.709 62.464 63.200 -0.045 0.000 1.084 433 S HN 0.988 nan 8.310 nan 0.000 0.434 434 H N -1.213 117.771 119.070 -0.144 0.000 2.649 434 H HA 0.519 5.075 4.556 0.000 0.000 0.258 434 H C -0.287 174.971 175.328 -0.117 0.000 1.165 434 H CA -0.169 55.819 56.048 -0.099 0.000 1.006 434 H CB -0.756 28.966 29.762 -0.068 0.000 1.743 434 H HN 0.138 nan 8.280 nan 0.000 0.609 435 V N 0.861 120.537 119.914 -0.397 0.000 5.574 435 V HA -0.289 3.831 4.120 0.000 0.000 0.296 435 V C 0.163 176.107 176.094 -0.250 0.000 0.678 435 V CA 1.470 63.566 62.300 -0.340 0.000 1.093 435 V CB -1.913 29.916 31.823 0.011 0.000 1.279 435 V HN 0.779 nan 8.190 nan 0.000 0.446 436 R N 2.358 122.535 120.500 -0.537 0.000 2.566 436 R HA 0.672 5.012 4.340 0.000 0.000 0.271 436 R C -1.167 174.966 176.300 -0.280 0.000 1.071 436 R CA -0.782 55.203 56.100 -0.192 0.000 0.915 436 R CB 1.466 31.759 30.300 -0.011 0.000 1.228 436 R HN 0.309 nan 8.270 nan 0.000 0.449 437 F N 2.367 122.446 119.950 0.215 0.000 2.425 437 F HA 0.483 5.010 4.527 -0.000 0.000 0.331 437 F C 0.272 176.261 175.800 0.316 0.000 1.085 437 F CA -0.249 57.928 58.000 0.294 0.000 1.028 437 F CB 1.796 41.084 39.000 0.481 0.000 1.177 437 F HN 0.648 nan 8.300 nan 0.000 0.487 438 N N -1.041 117.948 118.700 0.482 0.000 2.859 438 N HA 0.240 4.980 4.740 0.000 0.000 0.250 438 N C -2.292 173.429 175.510 0.352 0.000 1.341 438 N CA -1.137 52.151 53.050 0.397 0.000 0.881 438 N CB 0.899 39.490 38.487 0.173 0.000 1.516 438 N HN 0.188 nan 8.380 nan 0.000 0.503 439 D N 0.098 120.689 120.400 0.319 0.000 2.419 439 D HA 0.125 4.765 4.640 0.000 0.000 0.236 439 D C -0.204 176.191 176.300 0.159 0.000 1.165 439 D CA 0.081 54.230 54.000 0.249 0.000 0.882 439 D CB 0.763 41.679 40.800 0.193 0.000 1.201 439 D HN 0.422 nan 8.370 nan 0.000 0.443 440 L N 0.000 121.301 121.223 0.130 0.000 2.949 440 L HA 0.000 4.340 4.340 0.000 0.000 0.249 440 L CA 0.000 54.899 54.840 0.098 0.000 0.813 440 L CB 0.000 42.110 42.059 0.085 0.000 0.961 440 L HN 0.000 nan 8.230 nan 0.000 0.502