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 2zja_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRVDELRVDE RIKSTLKERG IESFYPPQAE ALKSGILEGK NALISIPTAS DATA SEQUENCE GKTLIAEIAM VHRILTQGGK AVYIVPLKAL AEEKFQEFQD WEKIGLRVAM DATA SEQUENCE ATGDYDSKDE WLGKYDIIIA TAEKFDSLLR HGSSWIKDVK ILVADEIHLI DATA SEQUENCE GSRDRGATLE VILAHMLGKA QIIGLSATIG NPEELAEWLN AELIVSDWRP DATA SEQUENCE VKLRRGVFYQ GFVTWEDGSI DRFSSWEELV YDAIRKKKGA LIFVNMRRKA DATA SEQUENCE ERVALELSKK VKSLLTKPEI RALNELADSL EENPTNEKLA KAIRGGVAFH DATA SEQUENCE HAGLGRDERV LVEENFRKGI IKAVVATPTL SAGINTPAFR VIIRDIWRYS DATA SEQUENCE DFGMERIPII EVHQMLGRAG RPKYDEVGEG IIVSTSDDPR EVMNHYIFGK DATA SEQUENCE PEKLFSQLSN ESNLRSQVLA LIATFGYSTV EEILKFISNT FYAYQRKDTY DATA SEQUENCE SLEEKIRNIL YFLLENEFIE ISLEDKIRPL SLGIRTAKLY IDPYTAKMFK DATA SEQUENCE DKMEEVVKDP NPIGIFHLIS LTPDITPFNY SKREFERLEE EYYEFKDRLY DATA SEQUENCE FDDPYISGYD PYLERKFFRA FKTALVLLAW INEVPEGEIV EKYSVEPGDI DATA SEQUENCE YRIVETAEWL VYSLKEIAKV LGAYEIVDYL ETLRVRVKYG IREELIPLMQ DATA SEQUENCE LPLVGRRRAR ALYNSGFRSI EDISQARPEE LLKIEGIGVK TVEAIFKFLG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.325 176.300 0.041 0.000 1.140 1 M CA 0.000 55.342 55.300 0.070 0.000 0.988 1 M CB 0.000 32.665 32.600 0.108 0.000 1.302 2 R N 0.678 121.170 120.500 -0.013 0.000 2.528 2 R HA 0.754 5.106 4.340 0.020 0.000 0.271 2 R C 0.559 176.772 176.300 -0.145 0.000 1.056 2 R CA 0.034 56.058 56.100 -0.126 0.000 1.117 2 R CB 0.157 30.406 30.300 -0.086 0.000 1.085 2 R HN 0.699 nan 8.270 nan 0.000 0.530 3 V N 1.442 121.154 119.914 -0.337 0.000 2.214 3 V HA -0.316 3.816 4.120 0.020 0.000 0.247 3 V C 1.986 178.077 176.094 -0.006 0.000 1.051 3 V CA 2.455 64.597 62.300 -0.263 0.000 1.003 3 V CB -0.387 31.275 31.823 -0.269 0.000 0.635 3 V HN 0.965 nan 8.190 nan 0.000 0.447 4 D N -0.324 120.058 120.400 -0.030 0.000 2.203 4 D HA -0.246 4.406 4.640 0.020 0.000 0.199 4 D C 2.099 178.418 176.300 0.031 0.000 0.997 4 D CA 1.753 55.757 54.000 0.007 0.000 0.863 4 D CB -0.266 40.527 40.800 -0.011 0.000 0.928 4 D HN 0.664 nan 8.370 nan 0.000 0.458 5 E N 0.796 121.017 120.200 0.034 0.000 2.267 5 E HA -0.162 4.200 4.350 0.020 0.000 0.197 5 E C 0.611 177.246 176.600 0.058 0.000 0.998 5 E CA 0.070 56.494 56.400 0.041 0.000 0.830 5 E CB -0.329 29.395 29.700 0.040 0.000 0.751 5 E HN 0.089 nan 8.360 nan 0.000 0.491 6 L N 2.043 123.327 121.223 0.102 0.000 2.597 6 L HA 0.183 4.535 4.340 0.020 0.000 0.271 6 L C 0.448 177.347 176.870 0.048 0.000 1.157 6 L CA 0.901 55.794 54.840 0.089 0.000 0.928 6 L CB -0.273 41.896 42.059 0.183 0.000 1.216 6 L HN 0.175 nan 8.230 nan 0.000 0.481 7 R N 5.606 126.113 120.500 0.012 0.000 3.641 7 R HA 0.491 4.843 4.340 0.020 0.000 0.189 7 R C -0.365 175.963 176.300 0.046 0.000 1.706 7 R CA 0.524 56.638 56.100 0.023 0.000 1.311 7 R CB -1.468 28.837 30.300 0.008 0.000 1.330 7 R HN 0.702 nan 8.270 nan 0.000 0.727 8 V N -2.694 117.278 119.914 0.097 0.000 3.160 8 V HA 0.520 4.652 4.120 0.020 0.000 0.310 8 V C -0.117 176.083 176.094 0.177 0.000 1.181 8 V CA -1.468 60.970 62.300 0.229 0.000 1.047 8 V CB 2.250 34.193 31.823 0.199 0.000 1.068 8 V HN 0.552 nan 8.190 nan 0.000 0.441 9 D N 0.747 121.243 120.400 0.160 0.000 2.531 9 D HA -0.064 4.588 4.640 0.020 0.000 0.239 9 D C 0.963 177.310 176.300 0.079 0.000 1.144 9 D CA 0.568 54.603 54.000 0.059 0.000 0.869 9 D CB 1.513 42.307 40.800 -0.009 0.000 1.160 9 D HN 0.827 nan 8.370 nan 0.000 0.484 10 E N 3.564 123.798 120.200 0.057 0.000 2.187 10 E HA -0.230 4.132 4.350 0.020 0.000 0.199 10 E C 1.860 178.501 176.600 0.068 0.000 1.004 10 E CA 1.377 57.810 56.400 0.055 0.000 0.813 10 E CB 0.104 29.825 29.700 0.034 0.000 0.736 10 E HN 0.481 nan 8.360 nan 0.000 0.468 11 R N -0.618 119.928 120.500 0.077 0.000 2.148 11 R HA -0.001 4.351 4.340 0.020 0.000 0.227 11 R C 2.254 178.664 176.300 0.183 0.000 1.103 11 R CA 1.104 57.266 56.100 0.104 0.000 0.983 11 R CB -0.159 30.201 30.300 0.100 0.000 0.874 11 R HN 0.286 nan 8.270 nan 0.000 0.451 12 I N 0.818 121.522 120.570 0.223 0.000 2.193 12 I HA -0.264 3.918 4.170 0.020 0.000 0.240 12 I C 1.928 178.187 176.117 0.236 0.000 1.084 12 I CA 1.319 62.837 61.300 0.363 0.000 1.365 12 I CB -0.234 37.928 38.000 0.270 0.000 1.064 12 I HN 0.086 nan 8.210 nan 0.000 0.410 13 K N 0.709 121.199 120.400 0.149 0.000 2.074 13 K HA -0.179 4.153 4.320 0.020 0.000 0.209 13 K C 2.268 178.889 176.600 0.035 0.000 1.048 13 K CA 1.906 58.244 56.287 0.085 0.000 0.926 13 K CB -0.352 32.184 32.500 0.060 0.000 0.713 13 K HN 0.220 nan 8.250 nan 0.000 0.444 14 S N 0.581 116.301 115.700 0.033 0.000 2.356 14 S HA -0.124 4.358 4.470 0.020 0.000 0.223 14 S C 2.104 176.676 174.600 -0.048 0.000 1.032 14 S CA 1.736 59.932 58.200 -0.006 0.000 1.005 14 S CB -0.381 62.821 63.200 0.003 0.000 0.867 14 S HN 0.346 nan 8.310 nan 0.000 0.449 15 T N 2.956 117.471 114.554 -0.066 0.000 2.746 15 T HA 0.033 4.395 4.350 0.020 0.000 0.267 15 T C 1.725 176.302 174.700 -0.204 0.000 1.039 15 T CA 0.916 62.885 62.100 -0.218 0.000 1.142 15 T CB -0.448 68.114 68.868 -0.509 0.000 0.866 15 T HN 0.248 nan 8.240 nan 0.000 0.444 16 L N 0.286 121.449 121.223 -0.100 0.000 2.131 16 L HA -0.122 4.229 4.340 0.020 0.000 0.210 16 L C 2.566 179.377 176.870 -0.099 0.000 1.092 16 L CA 1.402 56.200 54.840 -0.071 0.000 0.759 16 L CB -0.410 41.649 42.059 0.000 0.000 0.903 16 L HN 0.258 nan 8.230 nan 0.000 0.435 17 K N -0.054 120.291 120.400 -0.091 0.000 2.044 17 K HA -0.085 4.247 4.320 0.020 0.000 0.204 17 K C 2.356 178.903 176.600 -0.089 0.000 1.049 17 K CA 1.178 57.411 56.287 -0.090 0.000 0.945 17 K CB -0.266 32.190 32.500 -0.074 0.000 0.724 17 K HN 0.293 nan 8.250 nan 0.000 0.440 18 E N 1.980 122.123 120.200 -0.095 0.000 2.267 18 E HA -0.228 4.134 4.350 0.020 0.000 0.197 18 E C 1.832 178.371 176.600 -0.103 0.000 0.998 18 E CA 1.403 57.745 56.400 -0.096 0.000 0.830 18 E CB -0.444 29.190 29.700 -0.109 0.000 0.751 18 E HN 0.301 nan 8.360 nan 0.000 0.491 19 R N -1.986 118.444 120.500 -0.117 0.000 2.054 19 R HA 0.255 4.607 4.340 0.020 0.000 0.223 19 R C 1.892 178.145 176.300 -0.079 0.000 1.176 19 R CA 1.325 57.362 56.100 -0.105 0.000 0.934 19 R CB 0.213 30.445 30.300 -0.114 0.000 0.828 19 R HN 0.488 nan 8.270 nan 0.000 0.441 20 G N -1.172 107.578 108.800 -0.082 0.000 4.362 20 G HA2 0.035 4.007 3.960 0.020 0.000 0.220 20 G HA3 0.035 4.007 3.960 0.020 0.000 0.220 20 G C -0.554 174.288 174.900 -0.096 0.000 0.795 20 G CA -0.655 44.400 45.100 -0.076 0.000 0.920 20 G HN 0.029 nan 8.290 nan 0.000 0.715 21 I N 1.717 122.215 120.570 -0.120 0.000 2.342 21 I HA 0.453 4.634 4.170 0.020 0.000 0.291 21 I C 1.012 176.995 176.117 -0.223 0.000 1.010 21 I CA -0.183 61.006 61.300 -0.184 0.000 1.308 21 I CB 1.592 39.472 38.000 -0.201 0.000 1.400 21 I HN -0.055 nan 8.210 nan 0.000 0.488 22 E N 2.606 122.654 120.200 -0.252 0.000 2.391 22 E HA 0.150 4.512 4.350 0.020 0.000 0.206 22 E C 0.176 176.570 176.600 -0.342 0.000 0.851 22 E CA 0.360 56.617 56.400 -0.239 0.000 1.059 22 E CB 0.731 30.339 29.700 -0.154 0.000 1.065 22 E HN 0.652 nan 8.360 nan 0.000 0.512 23 S N -0.429 115.032 115.700 -0.398 0.000 2.595 23 S HA 0.650 5.131 4.470 0.020 0.000 0.281 23 S C -0.728 173.540 174.600 -0.553 0.000 1.117 23 S CA -0.832 57.103 58.200 -0.442 0.000 0.873 23 S CB 1.171 64.247 63.200 -0.206 0.000 1.108 23 S HN -0.033 nan 8.310 nan 0.000 0.477 24 F N 0.919 120.768 119.950 -0.169 0.000 2.397 24 F HA 0.459 4.997 4.527 0.020 0.000 0.331 24 F C 0.155 175.826 175.800 -0.215 0.000 1.090 24 F CA -1.005 56.861 58.000 -0.223 0.000 1.065 24 F CB 0.918 39.833 39.000 -0.141 0.000 1.184 24 F HN 0.585 nan 8.300 nan 0.000 0.499 25 Y N 2.540 122.865 120.300 0.042 0.000 2.397 25 Y HA 0.037 4.599 4.550 0.020 0.000 0.335 25 Y C -1.384 174.237 175.900 -0.465 0.000 1.213 25 Y CA -1.667 56.227 58.100 -0.343 0.000 1.391 25 Y CB 0.239 38.585 38.460 -0.190 0.000 1.293 25 Y HN 0.438 nan 8.280 nan 0.000 0.557 26 P HA -0.230 nan 4.420 nan 0.000 0.217 26 P C -1.452 175.679 177.300 -0.282 0.000 1.158 26 P CA 2.139 64.936 63.100 -0.506 0.000 0.887 26 P CB -0.833 30.377 31.700 -0.816 0.000 0.792 27 P HA -0.185 nan 4.420 nan 0.000 0.215 27 P C 1.671 178.938 177.300 -0.054 0.000 1.157 27 P CA 1.682 64.748 63.100 -0.057 0.000 0.874 27 P CB -0.525 31.214 31.700 0.065 0.000 0.790 28 Q N -0.691 119.090 119.800 -0.031 0.000 2.030 28 Q HA -0.169 4.182 4.340 0.020 0.000 0.204 28 Q C 2.285 178.147 176.000 -0.231 0.000 0.986 28 Q CA 1.763 57.504 55.803 -0.104 0.000 0.843 28 Q CB -0.866 27.845 28.738 -0.044 0.000 0.904 28 Q HN 0.157 nan 8.270 nan 0.000 0.420 29 A N 1.422 124.139 122.820 -0.172 0.000 1.859 29 A HA -0.312 4.019 4.320 0.020 0.000 0.217 29 A C 1.971 179.466 177.584 -0.149 0.000 1.198 29 A CA 1.872 53.813 52.037 -0.160 0.000 0.629 29 A CB -0.835 18.126 19.000 -0.064 0.000 0.830 29 A HN 0.470 nan 8.150 nan 0.000 0.446 30 E N -0.415 119.716 120.200 -0.116 0.000 2.086 30 E HA -0.232 4.129 4.350 0.020 0.000 0.200 30 E C 2.158 178.699 176.600 -0.099 0.000 1.012 30 E CA 1.384 57.729 56.400 -0.091 0.000 0.812 30 E CB -0.267 29.390 29.700 -0.072 0.000 0.743 30 E HN 0.568 nan 8.360 nan 0.000 0.453 31 A N 0.698 123.450 122.820 -0.112 0.000 1.898 31 A HA -0.096 4.235 4.320 0.020 0.000 0.216 31 A C 2.168 179.661 177.584 -0.153 0.000 1.181 31 A CA 0.899 52.868 52.037 -0.114 0.000 0.620 31 A CB -0.525 18.417 19.000 -0.098 0.000 0.819 31 A HN 0.299 nan 8.150 nan 0.000 0.442 32 L N -1.123 119.968 121.223 -0.220 0.000 2.362 32 L HA -0.069 4.283 4.340 0.020 0.000 0.219 32 L C 1.321 178.073 176.870 -0.196 0.000 1.134 32 L CA 1.037 55.721 54.840 -0.261 0.000 0.807 32 L CB -0.113 41.688 42.059 -0.429 0.000 0.927 32 L HN 0.304 nan 8.230 nan 0.000 0.447 33 K N -1.233 119.077 120.400 -0.150 0.000 2.537 33 K HA 0.122 4.454 4.320 0.020 0.000 0.206 33 K C 1.573 178.119 176.600 -0.090 0.000 1.041 33 K CA 0.243 56.463 56.287 -0.111 0.000 1.090 33 K CB 0.713 33.160 32.500 -0.089 0.000 0.833 33 K HN 0.165 nan 8.250 nan 0.000 0.493 34 S N -0.556 115.086 115.700 -0.096 0.000 2.425 34 S HA 0.057 4.539 4.470 0.020 0.000 0.225 34 S C 1.480 176.037 174.600 -0.071 0.000 1.024 34 S CA 0.903 59.057 58.200 -0.076 0.000 0.951 34 S CB 0.190 63.344 63.200 -0.076 0.000 0.796 34 S HN 0.382 nan 8.310 nan 0.000 0.498 35 G N 1.371 110.120 108.800 -0.084 0.000 2.559 35 G HA2 -0.150 3.822 3.960 0.020 0.000 0.202 35 G HA3 -0.150 3.822 3.960 0.020 0.000 0.202 35 G C 0.660 175.510 174.900 -0.082 0.000 0.992 35 G CA -0.029 45.027 45.100 -0.074 0.000 0.764 35 G HN 0.742 nan 8.290 nan 0.000 0.525 36 I N -0.838 119.673 120.570 -0.099 0.000 2.614 36 I HA 0.130 4.312 4.170 0.020 0.000 0.258 36 I C 2.248 178.297 176.117 -0.114 0.000 1.189 36 I CA 0.844 62.084 61.300 -0.100 0.000 1.462 36 I CB -0.338 37.597 38.000 -0.108 0.000 1.092 36 I HN 0.179 nan 8.210 nan 0.000 0.442 37 L N 0.865 121.990 121.223 -0.162 0.000 2.141 37 L HA -0.084 4.268 4.340 0.020 0.000 0.209 37 L C 1.786 178.600 176.870 -0.092 0.000 1.094 37 L CA 1.119 55.805 54.840 -0.257 0.000 0.763 37 L CB -0.500 41.344 42.059 -0.357 0.000 0.908 37 L HN 0.216 nan 8.230 nan 0.000 0.437 38 E N 0.250 120.415 120.200 -0.059 0.000 2.416 38 E HA 0.094 4.456 4.350 0.020 0.000 0.189 38 E C 1.224 177.818 176.600 -0.010 0.000 1.091 38 E CA 0.536 56.927 56.400 -0.015 0.000 0.889 38 E CB -0.151 29.533 29.700 -0.026 0.000 1.015 38 E HN 0.396 nan 8.360 nan 0.000 0.479 39 G N 1.033 109.826 108.800 -0.011 0.000 2.143 39 G HA2 -0.390 3.582 3.960 0.020 0.000 0.248 39 G HA3 -0.390 3.582 3.960 0.020 0.000 0.248 39 G C 0.353 175.230 174.900 -0.039 0.000 0.991 39 G CA 0.569 45.658 45.100 -0.017 0.000 0.689 39 G HN 0.320 nan 8.290 nan 0.000 0.522 40 K N 0.026 120.396 120.400 -0.050 0.000 2.126 40 K HA 0.389 4.721 4.320 0.020 0.000 0.257 40 K C 0.274 176.830 176.600 -0.073 0.000 1.007 40 K CA -0.735 55.516 56.287 -0.059 0.000 0.928 40 K CB 0.220 32.685 32.500 -0.058 0.000 1.013 40 K HN 0.126 nan 8.250 nan 0.000 0.473 41 N N 0.643 119.293 118.700 -0.085 0.000 2.530 41 N HA 0.406 5.158 4.740 0.020 0.000 0.277 41 N C -1.221 174.230 175.510 -0.098 0.000 1.168 41 N CA -0.180 52.808 53.050 -0.103 0.000 0.979 41 N CB 1.633 40.041 38.487 -0.132 0.000 1.141 41 N HN 0.633 nan 8.380 nan 0.000 0.459 42 A N 0.936 123.696 122.820 -0.100 0.000 2.574 42 A HA 0.563 4.895 4.320 0.020 0.000 0.297 42 A C -1.673 175.861 177.584 -0.084 0.000 1.062 42 A CA -0.613 51.373 52.037 -0.086 0.000 0.686 42 A CB 1.123 20.077 19.000 -0.077 0.000 1.285 42 A HN 0.494 nan 8.150 nan 0.000 0.403 43 L N 3.290 124.472 121.223 -0.068 0.000 2.295 43 L HA 0.594 4.946 4.340 0.020 0.000 0.281 43 L C -1.180 175.671 176.870 -0.033 0.000 1.018 43 L CA -0.406 54.401 54.840 -0.055 0.000 0.841 43 L CB 0.849 42.876 42.059 -0.054 0.000 1.218 43 L HN 0.513 nan 8.230 nan 0.000 0.424 44 I N 3.759 124.316 120.570 -0.022 0.000 2.287 44 I HA 0.248 4.430 4.170 0.020 0.000 0.290 44 I C 0.452 176.581 176.117 0.019 0.000 1.069 44 I CA 0.004 61.303 61.300 -0.003 0.000 1.237 44 I CB 0.532 38.533 38.000 0.002 0.000 1.418 44 I HN 0.617 nan 8.210 nan 0.000 0.481 45 S N 8.755 124.467 115.700 0.019 0.000 2.475 45 S HA 0.652 5.133 4.470 0.020 0.000 0.249 45 S C -0.360 174.260 174.600 0.032 0.000 1.298 45 S CA -0.585 57.631 58.200 0.026 0.000 1.125 45 S CB -0.281 62.929 63.200 0.015 0.000 1.054 45 S HN 0.532 nan 8.310 nan 0.000 0.484 46 I N 0.413 121.011 120.570 0.048 0.000 2.969 46 I HA 0.718 4.900 4.170 0.020 0.000 0.307 46 I C -3.012 173.141 176.117 0.060 0.000 1.149 46 I CA -3.217 58.120 61.300 0.062 0.000 1.008 46 I CB 1.777 39.833 38.000 0.093 0.000 1.232 46 I HN 0.161 nan 8.210 nan 0.000 0.435 47 P HA 0.024 nan 4.420 nan 0.000 0.266 47 P C 0.827 178.165 177.300 0.063 0.000 1.193 47 P CA 0.181 63.300 63.100 0.032 0.000 0.770 47 P CB 0.554 32.256 31.700 0.003 0.000 0.836 48 T N -0.712 113.879 114.554 0.061 0.000 3.051 48 T HA -0.095 4.267 4.350 0.020 0.000 0.269 48 T C 1.530 176.290 174.700 0.099 0.000 1.127 48 T CA 0.978 63.133 62.100 0.092 0.000 1.107 48 T CB -0.681 68.243 68.868 0.093 0.000 0.898 48 T HN 0.339 nan 8.240 nan 0.000 0.517 49 A N 1.230 124.088 122.820 0.064 0.000 2.067 49 A HA 0.202 4.534 4.320 0.020 0.000 0.217 49 A C 2.428 180.059 177.584 0.078 0.000 1.156 49 A CA 0.898 52.966 52.037 0.051 0.000 0.683 49 A CB -0.550 18.436 19.000 -0.024 0.000 0.808 49 A HN 0.507 nan 8.150 nan 0.000 0.455 50 S N -0.705 115.060 115.700 0.109 0.000 2.607 50 S HA 0.332 4.814 4.470 0.020 0.000 0.224 50 S C 1.126 175.971 174.600 0.407 0.000 0.969 50 S CA 0.665 58.988 58.200 0.205 0.000 0.927 50 S CB -0.324 63.020 63.200 0.240 0.000 0.772 50 S HN 1.589 nan 8.310 nan 0.000 0.533 51 G N 2.124 111.126 108.800 0.337 0.000 2.401 51 G HA2 -0.241 3.731 3.960 0.020 0.000 0.283 51 G HA3 -0.241 3.731 3.960 0.020 0.000 0.283 51 G C 0.518 175.555 174.900 0.229 0.000 1.117 51 G CA 0.147 45.437 45.100 0.316 0.000 1.051 51 G HN 0.430 nan 8.290 nan 0.000 0.510 52 K N -0.683 119.832 120.400 0.192 0.000 2.057 52 K HA -0.069 4.263 4.320 0.020 0.000 0.206 52 K C 2.715 179.424 176.600 0.181 0.000 1.050 52 K CA 1.726 58.108 56.287 0.157 0.000 0.935 52 K CB -0.170 32.415 32.500 0.141 0.000 0.715 52 K HN 0.460 nan 8.250 nan 0.000 0.439 53 T N 2.455 117.149 114.554 0.233 0.000 2.607 53 T HA -0.191 4.171 4.350 0.020 0.000 0.267 53 T C 1.785 176.641 174.700 0.259 0.000 1.049 53 T CA 1.276 63.559 62.100 0.306 0.000 1.162 53 T CB -0.394 68.660 68.868 0.310 0.000 0.863 53 T HN 0.072 nan 8.240 nan 0.000 0.424 54 L N 0.997 122.354 121.223 0.223 0.000 2.021 54 L HA -0.121 4.231 4.340 0.020 0.000 0.215 54 L C 2.245 179.191 176.870 0.127 0.000 1.074 54 L CA 1.588 56.548 54.840 0.201 0.000 0.760 54 L CB -0.720 41.464 42.059 0.209 0.000 0.889 54 L HN 0.325 nan 8.230 nan 0.000 0.433 55 I N -0.943 119.669 120.570 0.071 0.000 2.163 55 I HA -0.350 3.832 4.170 0.020 0.000 0.243 55 I C 2.556 178.668 176.117 -0.009 0.000 1.085 55 I CA 1.318 62.602 61.300 -0.027 0.000 1.347 55 I CB -0.674 37.304 38.000 -0.035 0.000 1.044 55 I HN 0.388 nan 8.210 nan 0.000 0.408 56 A N 0.417 123.274 122.820 0.063 0.000 1.902 56 A HA -0.218 4.114 4.320 0.020 0.000 0.217 56 A C 2.210 179.803 177.584 0.015 0.000 1.181 56 A CA 1.671 53.751 52.037 0.072 0.000 0.623 56 A CB -0.570 18.558 19.000 0.212 0.000 0.818 56 A HN 0.448 nan 8.150 nan 0.000 0.443 57 E N -0.223 119.985 120.200 0.013 0.000 2.031 57 E HA -0.172 4.190 4.350 0.020 0.000 0.193 57 E C 1.940 178.408 176.600 -0.220 0.000 0.994 57 E CA 1.350 57.647 56.400 -0.172 0.000 0.800 57 E CB -0.364 29.341 29.700 0.008 0.000 0.752 57 E HN 0.680 nan 8.360 nan 0.000 0.447 58 I N 1.363 121.900 120.570 -0.055 0.000 2.151 58 I HA -0.332 3.850 4.170 0.020 0.000 0.243 58 I C 2.616 178.668 176.117 -0.107 0.000 1.080 58 I CA 1.215 62.481 61.300 -0.056 0.000 1.339 58 I CB -0.413 37.583 38.000 -0.006 0.000 1.039 58 I HN 0.105 nan 8.210 nan 0.000 0.409 59 A N 0.500 123.256 122.820 -0.107 0.000 1.877 59 A HA -0.225 4.107 4.320 0.020 0.000 0.216 59 A C 2.371 179.907 177.584 -0.081 0.000 1.186 59 A CA 1.700 53.681 52.037 -0.095 0.000 0.620 59 A CB -0.555 18.390 19.000 -0.093 0.000 0.822 59 A HN 0.324 nan 8.150 nan 0.000 0.443 60 M N -0.831 118.686 119.600 -0.139 0.000 2.066 60 M HA -0.149 4.343 4.480 0.020 0.000 0.259 60 M C 2.183 178.343 176.300 -0.234 0.000 1.074 60 M CA 1.779 56.975 55.300 -0.173 0.000 1.114 60 M CB -0.656 31.811 32.600 -0.222 0.000 1.306 60 M HN 0.244 nan 8.290 nan 0.000 0.411 61 V N -0.221 119.447 119.914 -0.410 0.000 2.324 61 V HA -0.329 3.803 4.120 0.020 0.000 0.250 61 V C 2.236 178.175 176.094 -0.258 0.000 1.060 61 V CA 2.479 64.485 62.300 -0.489 0.000 1.042 61 V CB -1.157 30.087 31.823 -0.965 0.000 0.650 61 V HN 0.506 nan 8.190 nan 0.000 0.450 62 H N 0.665 119.589 119.070 -0.244 0.000 2.253 62 H HA -0.234 4.333 4.556 0.020 0.000 0.296 62 H C 2.422 177.678 175.328 -0.120 0.000 1.074 62 H CA 2.523 58.483 56.048 -0.147 0.000 1.263 62 H CB -0.152 29.541 29.762 -0.115 0.000 1.363 62 H HN 0.193 nan 8.280 nan 0.000 0.489 63 R N 0.376 120.871 120.500 -0.009 0.000 2.119 63 R HA -0.123 4.229 4.340 0.020 0.000 0.246 63 R C 2.042 178.277 176.300 -0.109 0.000 1.146 63 R CA 1.820 57.893 56.100 -0.045 0.000 0.962 63 R CB -0.792 29.494 30.300 -0.022 0.000 0.863 63 R HN 0.465 nan 8.270 nan 0.000 0.442 64 I N 0.038 120.532 120.570 -0.128 0.000 2.353 64 I HA -0.144 4.038 4.170 0.020 0.000 0.248 64 I C 2.079 178.119 176.117 -0.128 0.000 1.119 64 I CA 1.038 62.267 61.300 -0.119 0.000 1.417 64 I CB -0.809 37.113 38.000 -0.130 0.000 1.078 64 I HN 0.210 nan 8.210 nan 0.000 0.421 65 L N 0.167 121.289 121.223 -0.168 0.000 2.179 65 L HA -0.121 4.231 4.340 0.020 0.000 0.208 65 L C 2.441 179.213 176.870 -0.163 0.000 1.096 65 L CA 1.527 56.278 54.840 -0.149 0.000 0.779 65 L CB -0.596 41.373 42.059 -0.150 0.000 0.922 65 L HN 0.321 nan 8.230 nan 0.000 0.443 66 T N -4.244 110.166 114.554 -0.241 0.000 3.088 66 T HA -0.070 4.292 4.350 0.020 0.000 0.259 66 T C 1.432 176.055 174.700 -0.127 0.000 1.122 66 T CA 0.595 62.563 62.100 -0.220 0.000 1.095 66 T CB 0.250 68.902 68.868 -0.359 0.000 0.930 66 T HN 0.271 nan 8.240 nan 0.000 0.508 67 Q N -0.191 119.546 119.800 -0.105 0.000 2.028 67 Q HA 0.441 4.793 4.340 0.020 0.000 0.207 67 Q C 0.756 176.729 176.000 -0.046 0.000 0.776 67 Q CA 0.028 55.794 55.803 -0.062 0.000 1.015 67 Q CB 1.354 30.063 28.738 -0.048 0.000 1.215 67 Q HN 0.687 nan 8.270 nan 0.000 0.445 68 G N -0.027 108.739 108.800 -0.056 0.000 2.806 68 G HA2 0.020 3.992 3.960 0.020 0.000 0.236 68 G HA3 0.020 3.992 3.960 0.020 0.000 0.236 68 G C 0.409 175.294 174.900 -0.025 0.000 1.387 68 G CA -0.388 44.688 45.100 -0.039 0.000 0.884 68 G HN 0.963 nan 8.290 nan 0.000 0.560 69 G N -1.303 107.492 108.800 -0.009 0.000 2.482 69 G HA2 0.275 4.247 3.960 0.020 0.000 0.214 69 G HA3 0.275 4.247 3.960 0.020 0.000 0.214 69 G C -0.298 174.609 174.900 0.011 0.000 1.271 69 G CA 0.697 45.806 45.100 0.014 0.000 0.944 69 G HN 1.433 nan 8.290 nan 0.000 0.568 70 K N -0.250 120.172 120.400 0.037 0.000 2.385 70 K HA 0.767 5.099 4.320 0.020 0.000 0.248 70 K C -0.375 176.238 176.600 0.021 0.000 0.955 70 K CA -0.215 56.091 56.287 0.031 0.000 0.816 70 K CB 2.440 34.988 32.500 0.080 0.000 1.250 70 K HN 1.300 nan 8.250 nan 0.000 0.434 71 A N 1.598 124.414 122.820 -0.005 0.000 2.319 71 A HA 0.492 4.824 4.320 0.020 0.000 0.310 71 A C -0.878 176.712 177.584 0.010 0.000 1.152 71 A CA -0.688 51.337 52.037 -0.020 0.000 0.783 71 A CB 0.871 19.827 19.000 -0.072 0.000 1.184 71 A HN 0.373 nan 8.150 nan 0.000 0.474 72 V N 3.075 122.980 119.914 -0.015 0.000 2.364 72 V HA 0.220 4.352 4.120 0.020 0.000 0.272 72 V C -0.739 175.339 176.094 -0.027 0.000 1.036 72 V CA -0.268 62.001 62.300 -0.053 0.000 0.880 72 V CB 0.716 32.376 31.823 -0.271 0.000 0.991 72 V HN 0.784 nan 8.190 nan 0.000 0.460 73 Y N 5.822 126.106 120.300 -0.027 0.000 2.353 73 Y HA 0.533 5.094 4.550 0.019 0.000 0.340 73 Y C -0.050 175.850 175.900 0.000 0.000 0.972 73 Y CA -0.884 57.238 58.100 0.037 0.000 1.157 73 Y CB 0.976 39.574 38.460 0.230 0.000 1.157 73 Y HN 0.437 nan 8.280 nan 0.000 0.495 74 I N 8.610 129.079 120.570 -0.168 0.000 2.297 74 I HA 0.200 4.382 4.170 0.020 0.000 0.291 74 I C -0.138 175.965 176.117 -0.023 0.000 1.033 74 I CA -0.576 60.680 61.300 -0.074 0.000 1.253 74 I CB 0.454 38.373 38.000 -0.135 0.000 1.396 74 I HN 0.377 nan 8.210 nan 0.000 0.476 75 V N 5.760 125.747 119.914 0.122 0.000 2.834 75 V HA 0.539 4.670 4.120 0.020 0.000 0.313 75 V C -2.077 174.057 176.094 0.067 0.000 1.060 75 V CA -1.600 60.781 62.300 0.134 0.000 0.989 75 V CB 1.432 33.358 31.823 0.171 0.000 1.041 75 V HN 0.383 nan 8.190 nan 0.000 0.459 76 P HA 0.108 nan 4.420 nan 0.000 0.215 76 P C -0.024 177.303 177.300 0.046 0.000 1.157 76 P CA 1.050 64.168 63.100 0.030 0.000 0.863 76 P CB 0.078 31.788 31.700 0.018 0.000 0.787 77 L N -2.220 119.035 121.223 0.052 0.000 2.350 77 L HA 0.341 4.693 4.340 0.020 0.000 0.260 77 L C 1.354 178.253 176.870 0.048 0.000 1.015 77 L CA -1.028 53.843 54.840 0.052 0.000 0.821 77 L CB 1.997 44.087 42.059 0.052 0.000 1.370 77 L HN -0.346 nan 8.230 nan 0.000 0.416 78 K N 0.980 121.405 120.400 0.042 0.000 2.032 78 K HA -0.190 4.141 4.320 0.020 0.000 0.209 78 K C 1.838 178.449 176.600 0.018 0.000 1.048 78 K CA 1.734 58.037 56.287 0.026 0.000 0.927 78 K CB -0.256 32.256 32.500 0.020 0.000 0.712 78 K HN 0.761 nan 8.250 nan 0.000 0.441 79 A N 1.267 124.102 122.820 0.025 0.000 2.032 79 A HA -0.149 4.183 4.320 0.020 0.000 0.221 79 A C 1.946 179.540 177.584 0.017 0.000 1.165 79 A CA 1.388 53.433 52.037 0.014 0.000 0.645 79 A CB -0.523 18.489 19.000 0.020 0.000 0.807 79 A HN 0.217 nan 8.150 nan 0.000 0.453 80 L N -1.277 119.962 121.223 0.027 0.000 2.592 80 L HA 0.121 4.472 4.340 0.020 0.000 0.227 80 L C 2.557 179.430 176.870 0.006 0.000 1.127 80 L CA 0.354 55.209 54.840 0.025 0.000 0.884 80 L CB -0.082 42.006 42.059 0.047 0.000 1.065 80 L HN 0.406 nan 8.230 nan 0.000 0.457 81 A N -0.299 122.524 122.820 0.005 0.000 1.874 81 A HA -0.136 4.196 4.320 0.020 0.000 0.214 81 A C 2.281 179.857 177.584 -0.012 0.000 1.189 81 A CA 0.974 53.008 52.037 -0.005 0.000 0.615 81 A CB -0.212 18.785 19.000 -0.005 0.000 0.830 81 A HN 0.288 nan 8.150 nan 0.000 0.443 82 E N 0.264 120.459 120.200 -0.009 0.000 2.038 82 E HA -0.258 4.104 4.350 0.020 0.000 0.195 82 E C 1.979 178.620 176.600 0.068 0.000 1.000 82 E CA 1.850 58.272 56.400 0.038 0.000 0.803 82 E CB -0.210 29.494 29.700 0.006 0.000 0.750 82 E HN 0.623 nan 8.360 nan 0.000 0.448 83 E N 0.836 121.036 120.200 0.001 0.000 2.058 83 E HA -0.191 4.171 4.350 0.020 0.000 0.194 83 E C 1.972 178.490 176.600 -0.137 0.000 0.997 83 E CA 1.667 58.048 56.400 -0.033 0.000 0.801 83 E CB -0.039 29.648 29.700 -0.023 0.000 0.746 83 E HN -0.008 nan 8.360 nan 0.000 0.450 84 K N -0.271 119.979 120.400 -0.250 0.000 2.097 84 K HA -0.114 4.218 4.320 0.020 0.000 0.205 84 K C 2.120 178.298 176.600 -0.702 0.000 1.050 84 K CA 1.098 56.976 56.287 -0.682 0.000 0.938 84 K CB -0.690 31.344 32.500 -0.776 0.000 0.718 84 K HN 0.261 nan 8.250 nan 0.000 0.442 85 F N 2.799 122.516 119.950 -0.388 0.000 2.126 85 F HA -0.241 4.297 4.527 0.020 0.000 0.299 85 F C 2.289 178.042 175.800 -0.079 0.000 1.096 85 F CA 1.594 59.490 58.000 -0.172 0.000 1.255 85 F CB -0.004 38.950 39.000 -0.075 0.000 0.997 85 F HN 0.012 nan 8.300 nan 0.000 0.479 86 Q N 0.809 120.566 119.800 -0.072 0.000 1.990 86 Q HA -0.208 4.144 4.340 0.020 0.000 0.200 86 Q C 2.133 178.060 176.000 -0.121 0.000 0.980 86 Q CA 2.010 57.737 55.803 -0.127 0.000 0.832 86 Q CB -0.960 27.773 28.738 -0.008 0.000 0.897 86 Q HN 0.749 nan 8.270 nan 0.000 0.427 87 E N -0.614 119.527 120.200 -0.098 0.000 2.510 87 E HA -0.093 4.269 4.350 0.020 0.000 0.202 87 E C 1.254 177.985 176.600 0.220 0.000 1.072 87 E CA 0.484 56.882 56.400 -0.003 0.000 0.883 87 E CB -0.331 29.369 29.700 0.000 0.000 0.818 87 E HN 0.367 nan 8.360 nan 0.000 0.548 88 F N 0.386 120.292 119.950 -0.074 0.000 2.720 88 F HA 0.094 4.633 4.527 0.020 0.000 0.301 88 F C 2.126 177.913 175.800 -0.021 0.000 1.103 88 F CA -0.770 57.264 58.000 0.056 0.000 1.291 88 F CB 0.433 39.475 39.000 0.070 0.000 1.086 88 F HN -0.042 nan 8.300 nan 0.000 0.592 89 Q N 1.239 121.031 119.800 -0.014 0.000 2.096 89 Q HA -0.255 4.097 4.340 0.020 0.000 0.208 89 Q C 1.593 177.539 176.000 -0.091 0.000 0.993 89 Q CA 2.174 57.903 55.803 -0.122 0.000 0.862 89 Q CB -0.890 27.727 28.738 -0.200 0.000 0.915 89 Q HN 0.547 nan 8.270 nan 0.000 0.416 90 D N -1.247 119.041 120.400 -0.187 0.000 2.357 90 D HA -0.204 4.448 4.640 0.020 0.000 0.216 90 D C 1.236 177.364 176.300 -0.287 0.000 0.973 90 D CA 0.802 54.636 54.000 -0.277 0.000 0.912 90 D CB -0.914 39.665 40.800 -0.369 0.000 0.900 90 D HN 0.392 nan 8.370 nan 0.000 0.501 91 W N 0.862 122.141 121.300 -0.035 0.000 2.937 91 W HA 0.131 4.803 4.660 0.019 0.000 0.245 91 W C 2.105 178.605 176.519 -0.032 0.000 1.306 91 W CA -0.211 57.107 57.345 -0.045 0.000 1.470 91 W CB 0.240 29.653 29.460 -0.077 0.000 1.132 91 W HN -0.053 nan 8.180 nan 0.000 0.675 92 E N 0.936 121.221 120.200 0.142 0.000 2.107 92 E HA -0.142 4.220 4.350 0.020 0.000 0.191 92 E C 1.743 178.379 176.600 0.060 0.000 0.982 92 E CA 0.928 57.381 56.400 0.089 0.000 0.809 92 E CB -0.262 29.467 29.700 0.049 0.000 0.756 92 E HN 0.408 nan 8.360 nan 0.000 0.459 93 K N 1.019 121.436 120.400 0.029 0.000 2.113 93 K HA -0.150 4.182 4.320 0.020 0.000 0.208 93 K C 2.161 178.783 176.600 0.035 0.000 1.047 93 K CA 1.495 57.788 56.287 0.009 0.000 0.928 93 K CB -0.433 32.048 32.500 -0.032 0.000 0.716 93 K HN 0.278 nan 8.250 nan 0.000 0.446 94 I N -3.016 117.603 120.570 0.081 0.000 3.812 94 I HA 0.262 4.444 4.170 0.020 0.000 0.319 94 I C 0.721 176.884 176.117 0.076 0.000 1.353 94 I CA 0.322 61.678 61.300 0.094 0.000 1.170 94 I CB 0.084 38.180 38.000 0.159 0.000 1.057 94 I HN 0.257 nan 8.210 nan 0.000 0.411 95 G N 1.627 110.462 108.800 0.059 0.000 2.213 95 G HA2 -0.220 3.752 3.960 0.020 0.000 0.236 95 G HA3 -0.220 3.752 3.960 0.020 0.000 0.236 95 G C 0.093 175.012 174.900 0.032 0.000 0.991 95 G CA -0.012 45.108 45.100 0.034 0.000 0.629 95 G HN 0.371 nan 8.290 nan 0.000 0.517 96 L N 2.136 123.397 121.223 0.064 0.000 2.283 96 L HA 0.422 4.774 4.340 0.020 0.000 0.287 96 L C 1.003 177.923 176.870 0.082 0.000 1.073 96 L CA -0.642 54.229 54.840 0.051 0.000 0.822 96 L CB 0.672 42.753 42.059 0.036 0.000 1.186 96 L HN 0.131 nan 8.230 nan 0.000 0.436 97 R N 2.825 123.359 120.500 0.057 0.000 2.389 97 R HA 0.431 4.783 4.340 0.020 0.000 0.295 97 R C -0.663 175.808 176.300 0.285 0.000 1.075 97 R CA -0.478 55.690 56.100 0.113 0.000 1.005 97 R CB 1.321 31.566 30.300 -0.090 0.000 0.987 97 R HN 0.329 nan 8.270 nan 0.000 0.452 98 V N 1.906 122.032 119.914 0.354 0.000 2.667 98 V HA 0.770 4.902 4.120 0.020 0.000 0.308 98 V C -0.094 176.254 176.094 0.423 0.000 1.048 98 V CA -0.606 61.901 62.300 0.345 0.000 0.928 98 V CB 1.752 33.715 31.823 0.233 0.000 1.004 98 V HN 0.969 nan 8.190 nan 0.000 0.444 99 A N 4.547 127.493 122.820 0.211 0.000 2.587 99 A HA 0.921 5.253 4.320 0.020 0.000 0.293 99 A C -1.065 176.545 177.584 0.043 0.000 1.087 99 A CA -0.732 51.304 52.037 -0.001 0.000 0.692 99 A CB 1.884 20.380 19.000 -0.841 0.000 1.291 99 A HN 0.716 nan 8.150 nan 0.000 0.407 100 M N 0.624 120.199 119.600 -0.043 0.000 2.472 100 M HA 0.672 5.164 4.480 0.020 0.000 0.331 100 M C -0.218 176.085 176.300 0.006 0.000 1.170 100 M CA -0.425 54.834 55.300 -0.068 0.000 1.009 100 M CB 2.220 34.662 32.600 -0.264 0.000 1.672 100 M HN 1.027 nan 8.290 nan 0.000 0.453 101 A N 0.984 123.817 122.820 0.022 0.000 2.611 101 A HA 0.536 4.868 4.320 0.020 0.000 0.282 101 A C 0.044 177.662 177.584 0.057 0.000 1.114 101 A CA -0.435 51.644 52.037 0.070 0.000 0.800 101 A CB 0.482 19.526 19.000 0.074 0.000 1.325 101 A HN 0.930 nan 8.150 nan 0.000 0.411 102 T N -1.086 113.471 114.554 0.006 0.000 2.966 102 T HA 0.520 4.881 4.350 0.020 0.000 0.254 102 T C 0.838 175.451 174.700 -0.145 0.000 0.961 102 T CA 1.096 63.184 62.100 -0.020 0.000 0.915 102 T CB 0.146 68.998 68.868 -0.027 0.000 1.186 102 T HN 1.498 nan 8.240 nan 0.000 0.505 103 G N 0.167 108.812 108.800 -0.258 0.000 3.243 103 G HA2 0.541 4.513 3.960 0.020 0.000 0.248 103 G HA3 0.541 4.513 3.960 0.020 0.000 0.248 103 G C -1.506 173.069 174.900 -0.542 0.000 1.267 103 G CA -0.273 44.463 45.100 -0.606 0.000 0.906 103 G HN 0.046 nan 8.290 nan 0.000 0.592 104 D N -0.883 119.187 120.400 -0.551 0.000 2.812 104 D HA -0.163 4.489 4.640 0.020 0.000 0.237 104 D C 0.681 176.906 176.300 -0.125 0.000 1.162 104 D CA 0.623 54.463 54.000 -0.266 0.000 0.740 104 D CB -1.261 39.467 40.800 -0.119 0.000 1.000 104 D HN 0.527 nan 8.370 nan 0.000 0.416 105 Y N -0.311 119.975 120.300 -0.023 0.000 2.224 105 Y HA -0.173 4.389 4.550 0.019 0.000 0.289 105 Y C 1.991 178.082 175.900 0.318 0.000 1.146 105 Y CA 0.645 58.783 58.100 0.063 0.000 1.182 105 Y CB 0.094 38.566 38.460 0.020 0.000 0.983 105 Y HN 0.068 nan 8.280 nan 0.000 0.524 106 D N 0.854 121.575 120.400 0.535 0.000 2.941 106 D HA 0.078 4.730 4.640 0.020 0.000 0.236 106 D C -0.757 175.637 176.300 0.157 0.000 1.147 106 D CA 0.272 54.630 54.000 0.596 0.000 0.975 106 D CB -0.240 40.957 40.800 0.663 0.000 1.162 106 D HN 0.004 nan 8.370 nan 0.000 0.444 107 S N -0.174 115.364 115.700 -0.270 0.000 2.542 107 S HA 0.223 4.705 4.470 0.020 0.000 0.276 107 S C 0.527 174.836 174.600 -0.485 0.000 1.148 107 S CA -0.810 57.148 58.200 -0.404 0.000 0.886 107 S CB 1.079 64.253 63.200 -0.043 0.000 1.109 107 S HN 0.106 nan 8.310 nan 0.000 0.458 108 K N 1.157 121.353 120.400 -0.340 0.000 2.288 108 K HA 0.063 4.395 4.320 0.020 0.000 0.201 108 K C -0.519 176.133 176.600 0.087 0.000 1.048 108 K CA 0.622 56.839 56.287 -0.117 0.000 0.956 108 K CB -0.126 32.346 32.500 -0.047 0.000 0.746 108 K HN 0.685 nan 8.250 nan 0.000 0.461 109 D N 1.256 121.748 120.400 0.152 0.000 2.803 109 D HA -0.160 4.492 4.640 0.020 0.000 0.233 109 D C 0.504 176.937 176.300 0.223 0.000 1.182 109 D CA 0.511 54.676 54.000 0.276 0.000 0.726 109 D CB -0.579 40.360 40.800 0.231 0.000 0.987 109 D HN 0.193 nan 8.370 nan 0.000 0.412 110 E N -0.545 119.826 120.200 0.284 0.000 2.204 110 E HA -0.140 4.221 4.350 0.020 0.000 0.194 110 E C 2.100 178.819 176.600 0.198 0.000 0.989 110 E CA 0.789 57.367 56.400 0.297 0.000 0.824 110 E CB -0.193 29.646 29.700 0.232 0.000 0.756 110 E HN 0.790 nan 8.360 nan 0.000 0.477 111 W N 0.655 122.038 121.300 0.139 0.000 2.341 111 W HA -0.146 4.526 4.660 0.019 0.000 0.283 111 W C 1.367 177.955 176.519 0.115 0.000 1.215 111 W CA 0.425 57.840 57.345 0.117 0.000 1.211 111 W CB -1.181 28.341 29.460 0.103 0.000 1.131 111 W HN -0.013 nan 8.180 nan 0.000 0.552 112 L N 1.728 122.347 121.223 -1.007 0.000 2.275 112 L HA -0.035 4.316 4.340 0.020 0.000 0.215 112 L C 2.910 179.261 176.870 -0.865 0.000 1.119 112 L CA 1.252 55.331 54.840 -1.268 0.000 0.790 112 L CB -1.217 39.852 42.059 -1.650 0.000 0.919 112 L HN 0.116 nan 8.230 nan 0.000 0.443 113 G N 0.928 109.379 108.800 -0.581 0.000 2.485 113 G HA2 -0.287 3.685 3.960 0.020 0.000 0.221 113 G HA3 -0.287 3.685 3.960 0.020 0.000 0.221 113 G C 1.409 176.250 174.900 -0.100 0.000 1.115 113 G CA 0.834 45.801 45.100 -0.221 0.000 0.751 113 G HN 0.562 nan 8.290 nan 0.000 0.567 114 K N -1.026 119.338 120.400 -0.059 0.000 2.504 114 K HA 0.250 4.582 4.320 0.020 0.000 0.199 114 K C -0.659 175.754 176.600 -0.312 0.000 1.028 114 K CA -0.413 55.797 56.287 -0.128 0.000 1.164 114 K CB -0.115 32.314 32.500 -0.118 0.000 0.877 114 K HN 0.308 nan 8.250 nan 0.000 0.508 115 Y N 0.270 120.453 120.300 -0.195 0.000 2.549 115 Y HA 0.236 4.798 4.550 0.021 0.000 0.339 115 Y C 0.681 176.493 175.900 -0.147 0.000 1.053 115 Y CA -1.017 56.987 58.100 -0.161 0.000 1.105 115 Y CB 1.826 40.152 38.460 -0.225 0.000 1.258 115 Y HN -0.014 nan 8.280 nan 0.000 0.478 116 D N 0.961 121.402 120.400 0.068 0.000 2.423 116 D HA 0.221 4.873 4.640 0.020 0.000 0.208 116 D C -0.310 175.990 176.300 0.000 0.000 1.068 116 D CA 0.992 54.997 54.000 0.007 0.000 0.860 116 D CB 1.285 42.076 40.800 -0.015 0.000 0.992 116 D HN 0.310 nan 8.370 nan 0.000 0.504 117 I N 1.590 122.186 120.570 0.045 0.000 2.534 117 I HA 0.233 4.415 4.170 0.020 0.000 0.286 117 I C -1.345 174.810 176.117 0.064 0.000 1.094 117 I CA -0.638 60.686 61.300 0.039 0.000 1.055 117 I CB 2.262 40.279 38.000 0.028 0.000 1.225 117 I HN -0.323 nan 8.210 nan 0.000 0.435 118 I N 7.291 127.877 120.570 0.026 0.000 2.389 118 I HA 0.398 4.580 4.170 0.020 0.000 0.288 118 I C -0.225 175.953 176.117 0.101 0.000 0.999 118 I CA -0.141 61.149 61.300 -0.016 0.000 1.129 118 I CB 1.540 39.445 38.000 -0.158 0.000 1.288 118 I HN 0.333 nan 8.210 nan 0.000 0.444 119 I N 6.233 126.880 120.570 0.129 0.000 2.307 119 I HA 0.689 4.871 4.170 0.020 0.000 0.289 119 I C 0.183 176.372 176.117 0.119 0.000 1.021 119 I CA -0.074 61.330 61.300 0.173 0.000 1.224 119 I CB 0.773 38.861 38.000 0.146 0.000 1.376 119 I HN 0.688 nan 8.210 nan 0.000 0.470 120 A N 4.249 127.151 122.820 0.136 0.000 2.527 120 A HA 0.847 5.178 4.320 0.020 0.000 0.293 120 A C -0.068 177.593 177.584 0.128 0.000 1.117 120 A CA -0.599 51.520 52.037 0.136 0.000 0.723 120 A CB 1.451 20.577 19.000 0.210 0.000 1.313 120 A HN 0.599 nan 8.150 nan 0.000 0.411 121 T N -1.568 113.060 114.554 0.124 0.000 2.847 121 T HA 0.547 4.909 4.350 0.020 0.000 0.279 121 T C 1.343 176.117 174.700 0.124 0.000 0.984 121 T CA 0.145 62.308 62.100 0.105 0.000 0.988 121 T CB 1.174 70.097 68.868 0.092 0.000 1.040 121 T HN 1.535 nan 8.240 nan 0.000 0.528 122 A N 0.460 123.339 122.820 0.099 0.000 1.933 122 A HA -0.057 4.275 4.320 0.020 0.000 0.218 122 A C 2.180 179.822 177.584 0.095 0.000 1.175 122 A CA 1.664 53.776 52.037 0.124 0.000 0.628 122 A CB -1.040 18.018 19.000 0.098 0.000 0.814 122 A HN 0.906 nan 8.150 nan 0.000 0.444 123 E N -0.136 120.069 120.200 0.007 0.000 2.031 123 E HA -0.168 4.193 4.350 0.020 0.000 0.193 123 E C 2.045 178.365 176.600 -0.468 0.000 0.994 123 E CA 1.590 57.824 56.400 -0.276 0.000 0.800 123 E CB -0.211 29.335 29.700 -0.257 0.000 0.752 123 E HN 0.531 nan 8.360 nan 0.000 0.447 124 K N 0.187 120.572 120.400 -0.026 0.000 2.063 124 K HA -0.144 4.188 4.320 0.020 0.000 0.208 124 K C 1.824 178.479 176.600 0.092 0.000 1.048 124 K CA 1.195 57.567 56.287 0.141 0.000 0.928 124 K CB -0.654 31.971 32.500 0.209 0.000 0.713 124 K HN 0.145 nan 8.250 nan 0.000 0.442 125 F N 1.223 121.179 119.950 0.010 0.000 2.234 125 F HA -0.080 4.459 4.527 0.019 0.000 0.299 125 F C 1.799 177.609 175.800 0.018 0.000 1.087 125 F CA 1.627 59.656 58.000 0.049 0.000 1.340 125 F CB -0.456 38.589 39.000 0.076 0.000 1.031 125 F HN 0.210 nan 8.300 nan 0.000 0.500 126 D N -0.579 119.795 120.400 -0.043 0.000 2.084 126 D HA -0.201 4.451 4.640 0.020 0.000 0.194 126 D C 2.508 178.754 176.300 -0.090 0.000 0.990 126 D CA 1.770 55.759 54.000 -0.019 0.000 0.826 126 D CB -0.466 40.406 40.800 0.119 0.000 0.971 126 D HN 0.291 nan 8.370 nan 0.000 0.453 127 S N -0.402 115.121 115.700 -0.295 0.000 2.365 127 S HA -0.181 4.301 4.470 0.020 0.000 0.225 127 S C 2.359 176.951 174.600 -0.015 0.000 1.039 127 S CA 1.376 59.491 58.200 -0.140 0.000 1.033 127 S CB -0.717 62.364 63.200 -0.198 0.000 0.887 127 S HN 0.380 nan 8.310 nan 0.000 0.447 128 L N 0.537 121.714 121.223 -0.077 0.000 2.079 128 L HA -0.043 4.309 4.340 0.020 0.000 0.210 128 L C 2.650 179.326 176.870 -0.323 0.000 1.081 128 L CA 1.222 55.977 54.840 -0.142 0.000 0.752 128 L CB -0.507 41.442 42.059 -0.183 0.000 0.896 128 L HN 0.348 nan 8.230 nan 0.000 0.433 129 L N -0.904 120.067 121.223 -0.419 0.000 2.217 129 L HA -0.133 4.219 4.340 0.020 0.000 0.211 129 L C 2.766 179.447 176.870 -0.315 0.000 1.107 129 L CA 0.906 55.530 54.840 -0.360 0.000 0.783 129 L CB -0.268 41.623 42.059 -0.280 0.000 0.919 129 L HN 0.199 nan 8.230 nan 0.000 0.442 130 R N -1.361 118.989 120.500 -0.250 0.000 2.073 130 R HA -0.073 4.279 4.340 0.020 0.000 0.229 130 R C 2.020 178.051 176.300 -0.449 0.000 1.120 130 R CA 0.713 56.533 56.100 -0.467 0.000 0.967 130 R CB -0.239 29.940 30.300 -0.202 0.000 0.862 130 R HN 0.391 nan 8.270 nan 0.000 0.436 131 H N -0.103 118.830 119.070 -0.229 0.000 2.559 131 H HA 0.029 4.597 4.556 0.020 0.000 0.273 131 H C 0.957 176.147 175.328 -0.230 0.000 1.000 131 H CA 1.090 57.035 56.048 -0.172 0.000 1.195 131 H CB 0.036 29.745 29.762 -0.088 0.000 1.368 131 H HN 0.463 nan 8.280 nan 0.000 0.592 132 G N 1.578 110.241 108.800 -0.229 0.000 2.305 132 G HA2 -0.302 3.670 3.960 0.020 0.000 0.287 132 G HA3 -0.302 3.670 3.960 0.020 0.000 0.287 132 G C 0.127 174.874 174.900 -0.256 0.000 1.036 132 G CA 0.570 45.512 45.100 -0.263 0.000 0.887 132 G HN 0.342 nan 8.290 nan 0.000 0.505 133 S N 0.065 115.551 115.700 -0.356 0.000 2.573 133 S HA 0.246 4.727 4.470 0.020 0.000 0.297 133 S C 1.894 176.212 174.600 -0.470 0.000 1.280 133 S CA 0.452 58.371 58.200 -0.468 0.000 1.061 133 S CB 1.073 63.745 63.200 -0.880 0.000 0.812 133 S HN 1.415 nan 8.310 nan 0.000 0.500 134 S N 3.095 118.655 115.700 -0.232 0.000 2.442 134 S HA -0.116 4.366 4.470 0.020 0.000 0.236 134 S C 1.447 176.034 174.600 -0.022 0.000 1.007 134 S CA 0.784 58.931 58.200 -0.090 0.000 0.965 134 S CB -0.437 62.774 63.200 0.018 0.000 0.773 134 S HN 0.975 nan 8.310 nan 0.000 0.504 135 W N 0.944 122.244 121.300 0.000 0.000 3.256 135 W HA 0.367 5.039 4.660 0.019 0.000 0.269 135 W C 1.106 177.642 176.519 0.029 0.000 1.310 135 W CA -0.574 56.778 57.345 0.010 0.000 1.673 135 W CB -0.661 28.799 29.460 -0.000 0.000 1.115 135 W HN 0.244 nan 8.180 nan 0.000 0.686 136 I N 2.791 123.156 120.570 -0.340 0.000 2.252 136 I HA -0.328 3.854 4.170 0.020 0.000 0.245 136 I C 2.784 178.916 176.117 0.024 0.000 1.102 136 I CA 1.799 62.957 61.300 -0.237 0.000 1.385 136 I CB -0.469 37.271 38.000 -0.434 0.000 1.064 136 I HN -0.145 nan 8.210 nan 0.000 0.414 137 K N 0.307 120.710 120.400 0.004 0.000 2.442 137 K HA -0.173 4.159 4.320 0.020 0.000 0.198 137 K C 0.783 177.433 176.600 0.083 0.000 1.044 137 K CA 1.406 57.718 56.287 0.042 0.000 0.948 137 K CB -0.443 32.069 32.500 0.021 0.000 0.762 137 K HN 0.266 nan 8.250 nan 0.000 0.472 138 D N 1.456 121.936 120.400 0.135 0.000 2.224 138 D HA -0.016 4.636 4.640 0.020 0.000 0.205 138 D C 0.214 176.599 176.300 0.141 0.000 0.965 138 D CA 0.334 54.421 54.000 0.146 0.000 0.852 138 D CB 0.047 40.969 40.800 0.202 0.000 0.947 138 D HN -0.025 nan 8.370 nan 0.000 0.494 139 V N 1.445 121.470 119.914 0.185 0.000 2.485 139 V HA -0.025 4.106 4.120 0.020 0.000 0.287 139 V C 1.262 177.409 176.094 0.088 0.000 1.022 139 V CA 0.409 62.805 62.300 0.159 0.000 1.067 139 V CB 1.157 33.117 31.823 0.229 0.000 0.967 139 V HN -0.093 nan 8.190 nan 0.000 0.479 140 K N 3.790 124.220 120.400 0.049 0.000 2.348 140 K HA 0.471 4.803 4.320 0.020 0.000 0.194 140 K C 0.077 176.675 176.600 -0.002 0.000 1.052 140 K CA 0.352 56.650 56.287 0.018 0.000 1.004 140 K CB 0.613 33.114 32.500 0.001 0.000 0.873 140 K HN 0.672 nan 8.250 nan 0.000 0.523 141 I N 0.168 120.732 120.570 -0.009 0.000 2.775 141 I HA 0.337 4.518 4.170 0.020 0.000 0.295 141 I C -2.148 173.932 176.117 -0.061 0.000 1.287 141 I CA -1.201 60.075 61.300 -0.040 0.000 1.029 141 I CB 1.736 39.706 38.000 -0.050 0.000 1.282 141 I HN -0.122 nan 8.210 nan 0.000 0.426 142 L N 7.850 129.014 121.223 -0.099 0.000 2.409 142 L HA 0.645 4.997 4.340 0.020 0.000 0.272 142 L C -1.672 175.090 176.870 -0.179 0.000 0.980 142 L CA -0.549 54.193 54.840 -0.163 0.000 0.826 142 L CB 1.899 43.833 42.059 -0.209 0.000 1.268 142 L HN 0.386 nan 8.230 nan 0.000 0.407 143 V N 4.782 124.559 119.914 -0.227 0.000 2.347 143 V HA 0.517 4.649 4.120 0.020 0.000 0.280 143 V C 0.520 176.365 176.094 -0.415 0.000 1.021 143 V CA -0.405 61.708 62.300 -0.312 0.000 0.847 143 V CB 1.345 32.948 31.823 -0.366 0.000 0.990 143 V HN 0.846 nan 8.190 nan 0.000 0.444 144 A N 3.805 126.453 122.820 -0.286 0.000 2.415 144 A HA 0.432 4.764 4.320 0.020 0.000 0.309 144 A C -0.048 177.388 177.584 -0.246 0.000 1.356 144 A CA -0.280 51.614 52.037 -0.239 0.000 0.998 144 A CB -0.068 18.841 19.000 -0.151 0.000 1.145 144 A HN 0.770 nan 8.150 nan 0.000 0.545 145 D N 2.105 122.328 120.400 -0.296 0.000 2.264 145 D HA 0.229 4.881 4.640 0.020 0.000 0.249 145 D C 0.205 176.436 176.300 -0.116 0.000 1.070 145 D CA 0.421 54.313 54.000 -0.181 0.000 0.912 145 D CB 0.562 41.292 40.800 -0.116 0.000 1.193 145 D HN 0.582 nan 8.370 nan 0.000 0.427 146 E N 1.983 122.134 120.200 -0.082 0.000 2.360 146 E HA -0.253 4.109 4.350 0.020 0.000 0.238 146 E C 1.083 177.415 176.600 -0.446 0.000 1.186 146 E CA 0.153 56.398 56.400 -0.258 0.000 0.719 146 E CB -1.662 27.914 29.700 -0.207 0.000 1.236 146 E HN 0.634 nan 8.360 nan 0.000 0.386 147 I N 0.915 121.354 120.570 -0.219 0.000 2.850 147 I HA -0.250 3.932 4.170 0.020 0.000 0.266 147 I C 2.398 178.433 176.117 -0.137 0.000 1.257 147 I CA 1.311 62.518 61.300 -0.154 0.000 1.465 147 I CB -0.084 37.865 38.000 -0.086 0.000 1.091 147 I HN 0.340 nan 8.210 nan 0.000 0.467 148 H N -0.838 118.219 119.070 -0.023 0.000 2.524 148 H HA -0.098 4.469 4.556 0.018 0.000 0.282 148 H C 1.900 177.227 175.328 -0.001 0.000 1.016 148 H CA 0.411 56.448 56.048 -0.018 0.000 1.270 148 H CB -0.487 29.269 29.762 -0.010 0.000 1.394 148 H HN 0.315 nan 8.280 nan 0.000 0.568 149 L N 1.346 122.402 121.223 -0.279 0.000 2.633 149 L HA -0.020 4.331 4.340 0.020 0.000 0.235 149 L C 2.414 179.268 176.870 -0.027 0.000 1.163 149 L CA 0.485 55.254 54.840 -0.118 0.000 0.859 149 L CB -0.586 41.376 42.059 -0.162 0.000 0.973 149 L HN 0.296 nan 8.230 nan 0.000 0.451 150 I N -1.089 119.468 120.570 -0.022 0.000 2.493 150 I HA -0.167 4.015 4.170 0.020 0.000 0.254 150 I C 1.882 178.042 176.117 0.072 0.000 1.160 150 I CA 1.123 62.432 61.300 0.015 0.000 1.445 150 I CB -0.093 37.889 38.000 -0.031 0.000 1.086 150 I HN 0.331 nan 8.210 nan 0.000 0.433 151 G N -0.197 108.655 108.800 0.086 0.000 3.181 151 G HA2 -0.027 3.945 3.960 0.020 0.000 0.219 151 G HA3 -0.027 3.945 3.960 0.020 0.000 0.219 151 G C 0.461 175.425 174.900 0.106 0.000 1.182 151 G CA -0.032 45.142 45.100 0.124 0.000 0.791 151 G HN 0.304 nan 8.290 nan 0.000 0.537 152 S N -0.289 115.456 115.700 0.075 0.000 2.475 152 S HA 0.386 4.868 4.470 0.020 0.000 0.281 152 S C 1.540 176.172 174.600 0.054 0.000 1.198 152 S CA -0.661 57.575 58.200 0.060 0.000 1.063 152 S CB 1.424 64.649 63.200 0.042 0.000 0.972 152 S HN 0.303 nan 8.310 nan 0.000 0.486 153 R N 3.756 124.284 120.500 0.047 0.000 2.082 153 R HA -0.079 4.273 4.340 0.020 0.000 0.234 153 R C 1.250 177.567 176.300 0.027 0.000 1.136 153 R CA 2.464 58.585 56.100 0.035 0.000 0.935 153 R CB -0.811 29.503 30.300 0.023 0.000 0.842 153 R HN 0.700 nan 8.270 nan 0.000 0.430 154 D N -0.424 119.993 120.400 0.027 0.000 2.133 154 D HA -0.173 4.479 4.640 0.020 0.000 0.192 154 D C 1.433 177.753 176.300 0.034 0.000 1.001 154 D CA 1.746 55.763 54.000 0.027 0.000 0.844 154 D CB 0.000 40.819 40.800 0.032 0.000 0.944 154 D HN 0.310 nan 8.370 nan 0.000 0.447 155 R N -1.331 119.193 120.500 0.040 0.000 2.531 155 R HA 0.270 4.622 4.340 0.020 0.000 0.316 155 R C 1.944 178.274 176.300 0.050 0.000 0.955 155 R CA 0.340 56.469 56.100 0.049 0.000 1.120 155 R CB 0.549 30.881 30.300 0.054 0.000 1.361 155 R HN 0.046 nan 8.270 nan 0.000 0.534 156 G N 1.379 110.206 108.800 0.045 0.000 2.469 156 G HA2 -0.335 3.637 3.960 0.020 0.000 0.219 156 G HA3 -0.335 3.637 3.960 0.020 0.000 0.219 156 G C 1.540 176.476 174.900 0.061 0.000 1.150 156 G CA 1.099 46.229 45.100 0.050 0.000 0.763 156 G HN 0.356 nan 8.290 nan 0.000 0.561 157 A N 0.225 123.079 122.820 0.057 0.000 1.908 157 A HA -0.065 4.267 4.320 0.020 0.000 0.218 157 A C 2.543 180.172 177.584 0.075 0.000 1.181 157 A CA 2.558 54.629 52.037 0.056 0.000 0.627 157 A CB -0.983 18.035 19.000 0.029 0.000 0.818 157 A HN 0.325 nan 8.150 nan 0.000 0.445 158 T N 0.026 114.629 114.554 0.083 0.000 2.708 158 T HA -0.143 4.219 4.350 0.020 0.000 0.266 158 T C 1.823 176.605 174.700 0.136 0.000 1.037 158 T CA 1.500 63.673 62.100 0.122 0.000 1.146 158 T CB -0.401 68.551 68.868 0.141 0.000 0.865 158 T HN 0.336 nan 8.240 nan 0.000 0.435 159 L N 1.387 122.674 121.223 0.106 0.000 2.127 159 L HA -0.025 4.326 4.340 0.020 0.000 0.211 159 L C 2.337 179.286 176.870 0.131 0.000 1.089 159 L CA 1.816 56.716 54.840 0.100 0.000 0.757 159 L CB -0.617 41.471 42.059 0.050 0.000 0.899 159 L HN 0.282 nan 8.230 nan 0.000 0.434 160 E N -1.035 119.243 120.200 0.130 0.000 2.072 160 E HA -0.147 4.215 4.350 0.020 0.000 0.190 160 E C 2.050 178.782 176.600 0.219 0.000 0.982 160 E CA 1.381 57.886 56.400 0.174 0.000 0.803 160 E CB 0.056 29.805 29.700 0.082 0.000 0.755 160 E HN 0.413 nan 8.360 nan 0.000 0.453 161 V N 2.752 122.775 119.914 0.182 0.000 2.295 161 V HA -0.280 3.851 4.120 0.020 0.000 0.246 161 V C 2.599 178.858 176.094 0.275 0.000 1.049 161 V CA 1.945 64.376 62.300 0.217 0.000 1.024 161 V CB -0.827 31.108 31.823 0.187 0.000 0.648 161 V HN 0.492 nan 8.190 nan 0.000 0.447 162 I N -1.502 119.241 120.570 0.289 0.000 2.286 162 I HA -0.221 3.961 4.170 0.020 0.000 0.248 162 I C 2.318 178.614 176.117 0.299 0.000 1.115 162 I CA 1.784 63.297 61.300 0.354 0.000 1.392 162 I CB -0.456 37.776 38.000 0.386 0.000 1.065 162 I HN 0.198 nan 8.210 nan 0.000 0.418 163 L N 1.573 122.925 121.223 0.216 0.000 1.994 163 L HA -0.127 4.225 4.340 0.020 0.000 0.208 163 L C 3.143 180.052 176.870 0.064 0.000 1.071 163 L CA 1.523 56.429 54.840 0.111 0.000 0.745 163 L CB -0.809 41.325 42.059 0.124 0.000 0.892 163 L HN 0.369 nan 8.230 nan 0.000 0.431 164 A N -1.095 121.828 122.820 0.171 0.000 1.978 164 A HA -0.256 4.076 4.320 0.020 0.000 0.220 164 A C 2.128 179.737 177.584 0.042 0.000 1.170 164 A CA 1.572 53.643 52.037 0.056 0.000 0.636 164 A CB -0.757 18.181 19.000 -0.104 0.000 0.810 164 A HN 0.433 nan 8.150 nan 0.000 0.448 165 H N -1.305 117.874 119.070 0.182 0.000 2.395 165 H HA 0.003 4.571 4.556 0.020 0.000 0.299 165 H C 1.972 177.373 175.328 0.121 0.000 1.070 165 H CA 1.714 57.876 56.048 0.190 0.000 1.356 165 H CB -0.079 29.760 29.762 0.129 0.000 1.401 165 H HN 0.362 nan 8.280 nan 0.000 0.524 166 M N 0.283 120.020 119.600 0.227 0.000 2.334 166 M HA 0.023 4.515 4.480 0.020 0.000 0.266 166 M C 0.948 177.260 176.300 0.019 0.000 1.082 166 M CA 0.196 55.574 55.300 0.131 0.000 1.141 166 M CB -0.697 31.985 32.600 0.136 0.000 1.380 166 M HN 0.026 nan 8.290 nan 0.000 0.440 167 L N 1.065 122.246 121.223 -0.069 0.000 2.640 167 L HA -0.005 4.347 4.340 0.020 0.000 0.280 167 L C 1.407 178.228 176.870 -0.081 0.000 1.229 167 L CA 0.808 55.555 54.840 -0.155 0.000 0.919 167 L CB -0.206 41.667 42.059 -0.311 0.000 1.168 167 L HN 0.729 nan 8.230 nan 0.000 0.496 168 G N 2.629 111.382 108.800 -0.079 0.000 2.184 168 G HA2 -0.354 3.618 3.960 0.020 0.000 0.264 168 G HA3 -0.354 3.618 3.960 0.020 0.000 0.264 168 G C 0.953 175.848 174.900 -0.007 0.000 0.975 168 G CA 0.662 45.737 45.100 -0.042 0.000 0.642 168 G HN 0.686 nan 8.290 nan 0.000 0.536 169 K N -0.179 120.225 120.400 0.007 0.000 2.373 169 K HA 0.672 5.004 4.320 0.020 0.000 0.200 169 K C 0.668 177.287 176.600 0.031 0.000 1.054 169 K CA 0.985 57.293 56.287 0.034 0.000 1.065 169 K CB 0.369 32.911 32.500 0.069 0.000 0.886 169 K HN 1.155 nan 8.250 nan 0.000 0.546 170 A N 0.347 123.172 122.820 0.008 0.000 2.567 170 A HA 0.199 4.531 4.320 0.020 0.000 0.291 170 A C -1.750 175.813 177.584 -0.034 0.000 1.048 170 A CA -0.741 51.297 52.037 0.001 0.000 0.661 170 A CB 0.889 19.905 19.000 0.026 0.000 1.288 170 A HN 0.139 nan 8.150 nan 0.000 0.424 171 Q N 0.564 120.340 119.800 -0.040 0.000 2.352 171 Q HA 0.441 4.793 4.340 0.020 0.000 0.260 171 Q C -1.095 174.854 176.000 -0.085 0.000 0.976 171 Q CA 0.022 55.788 55.803 -0.063 0.000 0.881 171 Q CB 0.390 29.095 28.738 -0.054 0.000 1.235 171 Q HN 0.558 nan 8.270 nan 0.000 0.419 172 I N 5.669 126.172 120.570 -0.111 0.000 2.418 172 I HA 0.394 4.575 4.170 0.020 0.000 0.287 172 I C -0.372 175.664 176.117 -0.135 0.000 1.008 172 I CA -0.552 60.666 61.300 -0.137 0.000 1.104 172 I CB 1.412 39.304 38.000 -0.180 0.000 1.264 172 I HN 0.674 nan 8.210 nan 0.000 0.438 173 I N 4.953 125.443 120.570 -0.133 0.000 2.418 173 I HA 0.456 4.638 4.170 0.020 0.000 0.287 173 I C 0.404 176.443 176.117 -0.129 0.000 1.008 173 I CA -0.491 60.737 61.300 -0.120 0.000 1.104 173 I CB 2.317 40.256 38.000 -0.102 0.000 1.264 173 I HN 0.615 nan 8.210 nan 0.000 0.438 174 G N 7.273 116.008 108.800 -0.108 0.000 2.372 174 G HA2 0.671 4.643 3.960 0.020 0.000 0.323 174 G HA3 0.671 4.643 3.960 0.020 0.000 0.323 174 G C -0.838 174.029 174.900 -0.055 0.000 1.152 174 G CA -0.457 44.586 45.100 -0.095 0.000 0.906 174 G HN 0.459 nan 8.290 nan 0.000 0.460 175 L N 2.946 124.141 121.223 -0.046 0.000 2.294 175 L HA 0.566 4.918 4.340 0.020 0.000 0.283 175 L C 0.341 177.251 176.870 0.067 0.000 1.015 175 L CA -0.607 54.242 54.840 0.015 0.000 0.831 175 L CB 1.359 43.434 42.059 0.027 0.000 1.217 175 L HN 0.654 nan 8.230 nan 0.000 0.420 176 S N 2.145 117.912 115.700 0.111 0.000 2.661 176 S HA 0.883 5.365 4.470 0.020 0.000 0.285 176 S C -0.416 174.270 174.600 0.142 0.000 1.138 176 S CA -0.690 57.662 58.200 0.253 0.000 0.855 176 S CB 2.082 65.427 63.200 0.241 0.000 1.136 176 S HN 0.582 nan 8.310 nan 0.000 0.484 177 A N 1.071 123.883 122.820 -0.013 0.000 2.287 177 A HA 0.665 4.997 4.320 0.020 0.000 0.273 177 A C 0.489 177.981 177.584 -0.153 0.000 1.091 177 A CA -0.526 51.378 52.037 -0.222 0.000 0.817 177 A CB -0.458 18.192 19.000 -0.583 0.000 1.069 177 A HN 0.901 nan 8.150 nan 0.000 0.492 178 T N 1.514 116.019 114.554 -0.083 0.000 2.908 178 T HA 0.386 4.748 4.350 0.020 0.000 0.301 178 T C 0.411 175.089 174.700 -0.036 0.000 1.019 178 T CA 1.126 63.208 62.100 -0.030 0.000 1.152 178 T CB -0.619 68.251 68.868 0.004 0.000 0.966 178 T HN 0.622 nan 8.240 nan 0.000 0.540 179 I N -1.067 119.491 120.570 -0.019 0.000 3.322 179 I HA 0.803 4.985 4.170 0.020 0.000 0.313 179 I C 1.117 177.226 176.117 -0.013 0.000 1.129 179 I CA -1.404 59.883 61.300 -0.022 0.000 0.963 179 I CB 1.484 39.472 38.000 -0.019 0.000 1.273 179 I HN 0.578 nan 8.210 nan 0.000 0.473 180 G N 1.234 110.016 108.800 -0.030 0.000 2.603 180 G HA2 -0.060 3.912 3.960 0.020 0.000 0.214 180 G HA3 -0.060 3.912 3.960 0.020 0.000 0.214 180 G C 0.409 175.290 174.900 -0.031 0.000 1.140 180 G CA 0.339 45.420 45.100 -0.031 0.000 0.800 180 G HN 0.768 nan 8.290 nan 0.000 0.533 181 N N 0.219 118.899 118.700 -0.034 0.000 2.757 181 N HA 0.278 5.030 4.740 0.020 0.000 0.296 181 N C -2.491 173.036 175.510 0.028 0.000 1.874 181 N CA -1.731 51.314 53.050 -0.007 0.000 0.885 181 N CB 1.682 40.149 38.487 -0.034 0.000 1.242 181 N HN -0.043 nan 8.380 nan 0.000 0.488 182 P HA -0.084 nan 4.420 nan 0.000 0.216 182 P C 1.221 178.539 177.300 0.030 0.000 1.153 182 P CA 1.261 64.371 63.100 0.018 0.000 0.844 182 P CB 0.424 32.130 31.700 0.011 0.000 0.787 183 E N 0.502 120.726 120.200 0.040 0.000 2.085 183 E HA -0.251 4.111 4.350 0.020 0.000 0.194 183 E C 2.034 178.695 176.600 0.102 0.000 0.994 183 E CA 1.237 57.671 56.400 0.056 0.000 0.801 183 E CB -0.841 28.891 29.700 0.054 0.000 0.743 183 E HN 0.461 nan 8.360 nan 0.000 0.453 184 E N 0.594 120.880 120.200 0.144 0.000 2.047 184 E HA -0.158 4.204 4.350 0.020 0.000 0.191 184 E C 2.183 178.956 176.600 0.289 0.000 0.987 184 E CA 0.477 57.043 56.400 0.276 0.000 0.799 184 E CB 0.010 29.871 29.700 0.268 0.000 0.752 184 E HN 0.100 nan 8.360 nan 0.000 0.449 185 L N 0.668 121.996 121.223 0.174 0.000 2.093 185 L HA -0.037 4.315 4.340 0.020 0.000 0.208 185 L C 2.168 179.018 176.870 -0.033 0.000 1.085 185 L CA 1.980 56.805 54.840 -0.025 0.000 0.755 185 L CB -0.615 41.362 42.059 -0.137 0.000 0.904 185 L HN 0.172 nan 8.230 nan 0.000 0.435 186 A N -0.640 122.169 122.820 -0.017 0.000 1.858 186 A HA -0.230 4.102 4.320 0.020 0.000 0.216 186 A C 2.153 179.692 177.584 -0.076 0.000 1.190 186 A CA 1.789 53.794 52.037 -0.052 0.000 0.617 186 A CB -0.687 18.297 19.000 -0.027 0.000 0.827 186 A HN 0.560 nan 8.150 nan 0.000 0.443 187 E N -1.664 118.518 120.200 -0.029 0.000 2.118 187 E HA -0.255 4.107 4.350 0.020 0.000 0.195 187 E C 1.699 178.155 176.600 -0.240 0.000 0.992 187 E CA 1.379 57.752 56.400 -0.045 0.000 0.804 187 E CB -0.254 29.526 29.700 0.134 0.000 0.741 187 E HN 0.863 nan 8.360 nan 0.000 0.458 188 W N 1.141 122.055 121.300 -0.642 0.000 2.388 188 W HA -0.093 4.580 4.660 0.022 0.000 0.294 188 W C 1.348 177.656 176.519 -0.352 0.000 1.212 188 W CA 1.089 57.976 57.345 -0.763 0.000 1.271 188 W CB -0.150 28.964 29.460 -0.577 0.000 1.126 188 W HN -0.043 nan 8.180 nan 0.000 0.535 189 L N 1.611 122.523 121.223 -0.518 0.000 2.599 189 L HA -0.030 4.322 4.340 0.020 0.000 0.230 189 L C 1.248 177.891 176.870 -0.377 0.000 1.141 189 L CA 0.879 55.361 54.840 -0.596 0.000 0.877 189 L CB -1.132 40.692 42.059 -0.391 0.000 1.009 189 L HN 0.188 nan 8.230 nan 0.000 0.447 190 N N 0.750 119.282 118.700 -0.279 0.000 2.696 190 N HA -0.185 4.567 4.740 0.020 0.000 0.256 190 N C -0.458 174.967 175.510 -0.142 0.000 1.031 190 N CA 0.280 53.230 53.050 -0.167 0.000 0.730 190 N CB -0.290 38.101 38.487 -0.159 0.000 0.894 190 N HN 0.368 nan 8.380 nan 0.000 0.544 191 A N 1.053 123.797 122.820 -0.126 0.000 2.423 191 A HA 0.625 4.957 4.320 0.020 0.000 0.304 191 A C -0.418 177.124 177.584 -0.070 0.000 1.104 191 A CA -0.708 51.267 52.037 -0.105 0.000 0.757 191 A CB 1.270 20.195 19.000 -0.125 0.000 1.313 191 A HN 0.373 nan 8.150 nan 0.000 0.423 192 E N 0.302 120.463 120.200 -0.065 0.000 2.373 192 E HA 0.285 4.647 4.350 0.020 0.000 0.267 192 E C -1.083 175.490 176.600 -0.046 0.000 1.032 192 E CA -0.251 56.119 56.400 -0.050 0.000 0.889 192 E CB 1.470 31.139 29.700 -0.053 0.000 0.984 192 E HN 0.466 nan 8.360 nan 0.000 0.425 193 L N 3.843 125.047 121.223 -0.032 0.000 2.287 193 L HA 0.359 4.711 4.340 0.020 0.000 0.287 193 L C -1.054 175.804 176.870 -0.021 0.000 1.022 193 L CA -0.365 54.460 54.840 -0.024 0.000 0.814 193 L CB 0.681 42.733 42.059 -0.011 0.000 1.217 193 L HN 0.323 nan 8.230 nan 0.000 0.420 194 I N 6.347 126.905 120.570 -0.020 0.000 2.390 194 I HA 0.393 4.575 4.170 0.020 0.000 0.283 194 I C -0.675 175.442 176.117 0.000 0.000 1.016 194 I CA -0.200 61.092 61.300 -0.015 0.000 1.151 194 I CB 1.659 39.644 38.000 -0.024 0.000 1.293 194 I HN 0.248 nan 8.210 nan 0.000 0.458 195 V N 4.904 124.822 119.914 0.007 0.000 2.409 195 V HA 0.689 4.821 4.120 0.020 0.000 0.291 195 V C -0.191 175.920 176.094 0.029 0.000 1.020 195 V CA -0.310 62.000 62.300 0.017 0.000 0.848 195 V CB 1.809 33.641 31.823 0.014 0.000 0.990 195 V HN 0.710 nan 8.190 nan 0.000 0.430 196 S N 2.213 117.941 115.700 0.046 0.000 2.540 196 S HA 0.492 4.973 4.470 0.020 0.000 0.275 196 S C -0.233 174.418 174.600 0.086 0.000 1.123 196 S CA -0.619 57.629 58.200 0.079 0.000 0.907 196 S CB 1.800 65.063 63.200 0.105 0.000 1.081 196 S HN 0.845 nan 8.310 nan 0.000 0.476 197 D N 1.277 121.735 120.400 0.097 0.000 2.369 197 D HA 0.132 4.784 4.640 0.020 0.000 0.211 197 D C 0.015 176.360 176.300 0.074 0.000 1.077 197 D CA -0.316 53.716 54.000 0.054 0.000 0.842 197 D CB 0.048 40.864 40.800 0.028 0.000 0.947 197 D HN 0.516 nan 8.370 nan 0.000 0.509 198 W N 2.880 124.159 121.300 -0.035 0.000 2.158 198 W HA 0.227 4.899 4.660 0.020 0.000 0.339 198 W C 0.434 176.903 176.519 -0.082 0.000 1.294 198 W CA -0.055 57.261 57.345 -0.047 0.000 1.231 198 W CB 0.546 29.989 29.460 -0.028 0.000 1.143 198 W HN -0.120 nan 8.180 nan 0.000 0.571 199 R N 3.898 123.953 120.500 -0.742 0.000 2.663 199 R HA 0.373 4.725 4.340 0.020 0.000 0.267 199 R C -2.686 172.799 176.300 -1.359 0.000 1.038 199 R CA -1.539 54.145 56.100 -0.693 0.000 0.886 199 R CB 1.273 31.353 30.300 -0.367 0.000 1.249 199 R HN 0.146 nan 8.270 nan 0.000 0.463 200 P HA -0.172 nan 4.420 nan 0.000 0.212 200 P C 0.473 177.513 177.300 -0.435 0.000 1.178 200 P CA 1.164 63.877 63.100 -0.646 0.000 0.915 200 P CB 0.059 31.560 31.700 -0.332 0.000 0.788 201 V N -5.261 114.481 119.914 -0.287 0.000 2.539 201 V HA 0.716 4.848 4.120 0.020 0.000 0.292 201 V C 0.101 176.065 176.094 -0.216 0.000 1.045 201 V CA -1.430 60.759 62.300 -0.186 0.000 0.945 201 V CB 0.232 32.009 31.823 -0.077 0.000 0.993 201 V HN 0.045 nan 8.190 nan 0.000 0.464 202 K N 3.648 123.944 120.400 -0.173 0.000 2.448 202 K HA 0.511 4.843 4.320 0.020 0.000 0.278 202 K C -0.656 175.869 176.600 -0.124 0.000 1.009 202 K CA 0.098 56.287 56.287 -0.163 0.000 0.995 202 K CB 0.423 32.851 32.500 -0.120 0.000 0.917 202 K HN 1.243 nan 8.250 nan 0.000 0.481 203 L N 1.734 122.884 121.223 -0.121 0.000 2.313 203 L HA 0.532 4.884 4.340 0.020 0.000 0.283 203 L C 0.061 176.896 176.870 -0.058 0.000 1.013 203 L CA -0.686 54.102 54.840 -0.086 0.000 0.816 203 L CB 1.846 43.855 42.059 -0.083 0.000 1.236 203 L HN 0.783 nan 8.230 nan 0.000 0.419 204 R N 4.717 125.187 120.500 -0.049 0.000 2.310 204 R HA 0.520 4.872 4.340 0.020 0.000 0.324 204 R C -0.820 175.600 176.300 0.200 0.000 0.955 204 R CA -0.579 55.515 56.100 -0.009 0.000 0.830 204 R CB 0.731 30.879 30.300 -0.253 0.000 1.154 204 R HN 0.695 nan 8.270 nan 0.000 0.458 205 R N 2.051 122.700 120.500 0.249 0.000 2.346 205 R HA 0.489 4.840 4.340 0.020 0.000 0.311 205 R C -0.255 176.239 176.300 0.324 0.000 0.983 205 R CA -0.485 55.758 56.100 0.239 0.000 0.880 205 R CB 2.065 32.422 30.300 0.095 0.000 1.100 205 R HN 0.721 nan 8.270 nan 0.000 0.453 206 G N 0.739 109.608 108.800 0.116 0.000 2.694 206 G HA2 0.544 4.516 3.960 0.020 0.000 0.290 206 G HA3 0.544 4.516 3.960 0.020 0.000 0.290 206 G C -1.502 173.256 174.900 -0.236 0.000 1.386 206 G CA -0.456 44.500 45.100 -0.241 0.000 0.872 206 G HN 0.321 nan 8.290 nan 0.000 0.475 207 V N 0.777 120.544 119.914 -0.245 0.000 2.483 207 V HA 0.446 4.578 4.120 0.020 0.000 0.297 207 V C -0.937 175.119 176.094 -0.063 0.000 1.027 207 V CA -0.675 61.562 62.300 -0.106 0.000 0.855 207 V CB 1.299 33.080 31.823 -0.070 0.000 0.995 207 V HN 0.690 nan 8.190 nan 0.000 0.424 208 F N 5.979 125.872 119.950 -0.096 0.000 2.384 208 F HA 0.725 5.263 4.527 0.019 0.000 0.338 208 F C -0.805 175.092 175.800 0.163 0.000 1.103 208 F CA -0.196 57.803 58.000 -0.002 0.000 1.157 208 F CB 0.846 39.827 39.000 -0.031 0.000 1.167 208 F HN 0.555 nan 8.300 nan 0.000 0.529 209 Y N 4.659 124.521 120.300 -0.729 0.000 2.474 209 Y HA 0.206 4.766 4.550 0.018 0.000 0.326 209 Y C 0.154 175.815 175.900 -0.398 0.000 1.160 209 Y CA -1.050 56.840 58.100 -0.349 0.000 1.056 209 Y CB 1.099 39.498 38.460 -0.103 0.000 1.330 209 Y HN 0.734 nan 8.280 nan 0.000 0.447 210 Q N 3.746 123.105 119.800 -0.735 0.000 2.397 210 Q HA -0.210 4.141 4.340 0.020 0.000 0.253 210 Q C 0.837 176.681 176.000 -0.260 0.000 1.026 210 Q CA 2.520 58.017 55.803 -0.510 0.000 1.066 210 Q CB -1.369 27.029 28.738 -0.565 0.000 1.553 210 Q HN 1.684 nan 8.270 nan 0.000 0.538 211 G N -2.952 105.568 108.800 -0.466 0.000 2.154 211 G HA2 -0.202 3.770 3.960 0.020 0.000 0.186 211 G HA3 -0.202 3.770 3.960 0.020 0.000 0.186 211 G C -0.287 174.164 174.900 -0.749 0.000 1.000 211 G CA -0.323 44.513 45.100 -0.439 0.000 0.664 211 G HN 0.278 nan 8.290 nan 0.000 0.513 212 F N -0.648 118.976 119.950 -0.544 0.000 2.596 212 F HA 0.559 5.098 4.527 0.019 0.000 0.311 212 F C -0.038 175.580 175.800 -0.302 0.000 1.116 212 F CA -1.091 56.763 58.000 -0.243 0.000 0.957 212 F CB 2.445 41.385 39.000 -0.099 0.000 1.250 212 F HN -0.010 nan 8.300 nan 0.000 0.444 213 V N 2.503 122.507 119.914 0.149 0.000 2.318 213 V HA 0.333 4.465 4.120 0.020 0.000 0.271 213 V C -0.212 175.710 176.094 -0.287 0.000 1.030 213 V CA -0.439 61.794 62.300 -0.112 0.000 0.844 213 V CB 1.207 32.929 31.823 -0.169 0.000 1.015 213 V HN 0.754 nan 8.190 nan 0.000 0.460 214 T N 4.956 119.344 114.554 -0.276 0.000 2.771 214 T HA 0.382 4.743 4.350 0.020 0.000 0.291 214 T C -0.224 174.292 174.700 -0.306 0.000 0.954 214 T CA -0.121 61.863 62.100 -0.192 0.000 1.045 214 T CB 0.517 69.343 68.868 -0.070 0.000 0.917 214 T HN 0.571 nan 8.240 nan 0.000 0.484 215 W N 1.324 122.680 121.300 0.094 0.000 2.225 215 W HA 0.313 4.985 4.660 0.021 0.000 0.377 215 W C 1.760 178.328 176.519 0.080 0.000 1.418 215 W CA -0.959 56.432 57.345 0.077 0.000 1.562 215 W CB 0.430 29.941 29.460 0.085 0.000 1.297 215 W HN 0.744 nan 8.180 nan 0.000 0.686 216 E N 0.002 120.412 120.200 0.351 0.000 2.478 216 E HA -0.176 4.186 4.350 0.020 0.000 0.198 216 E C 0.594 177.401 176.600 0.345 0.000 1.046 216 E CA 1.198 57.790 56.400 0.320 0.000 0.870 216 E CB -0.367 29.510 29.700 0.295 0.000 0.818 216 E HN 0.515 nan 8.360 nan 0.000 0.527 217 D N -0.133 120.436 120.400 0.281 0.000 2.340 217 D HA 0.110 4.761 4.640 0.020 0.000 0.217 217 D C 1.372 177.780 176.300 0.181 0.000 1.081 217 D CA 0.434 54.551 54.000 0.195 0.000 0.842 217 D CB 0.419 41.301 40.800 0.137 0.000 0.934 217 D HN 0.276 nan 8.370 nan 0.000 0.511 218 G N 0.451 109.381 108.800 0.216 0.000 2.284 218 G HA2 -0.335 3.637 3.960 0.020 0.000 0.247 218 G HA3 -0.335 3.637 3.960 0.020 0.000 0.247 218 G C 0.595 175.589 174.900 0.156 0.000 1.012 218 G CA 0.532 45.729 45.100 0.162 0.000 0.618 218 G HN 0.889 nan 8.290 nan 0.000 0.521 219 S N 0.919 116.746 115.700 0.211 0.000 2.589 219 S HA 0.660 5.142 4.470 0.020 0.000 0.265 219 S C 0.321 175.106 174.600 0.310 0.000 1.342 219 S CA 0.256 58.594 58.200 0.230 0.000 1.005 219 S CB 1.171 64.508 63.200 0.228 0.000 0.909 219 S HN 0.817 nan 8.310 nan 0.000 0.555 220 I N 0.537 121.265 120.570 0.263 0.000 2.934 220 I HA 0.586 4.768 4.170 0.020 0.000 0.306 220 I C -0.714 175.621 176.117 0.362 0.000 1.110 220 I CA -0.664 60.791 61.300 0.258 0.000 1.019 220 I CB 1.972 40.009 38.000 0.063 0.000 1.227 220 I HN 0.711 nan 8.210 nan 0.000 0.434 221 D N 1.838 122.505 120.400 0.445 0.000 2.990 221 D HA 0.247 4.899 4.640 0.020 0.000 0.227 221 D C -0.804 175.712 176.300 0.360 0.000 1.249 221 D CA -0.596 53.646 54.000 0.403 0.000 0.891 221 D CB 3.046 44.195 40.800 0.581 0.000 1.647 221 D HN 0.310 nan 8.370 nan 0.000 0.530 222 R N 1.652 122.220 120.500 0.113 0.000 2.438 222 R HA 0.458 4.810 4.340 0.020 0.000 0.287 222 R C -1.553 174.469 176.300 -0.463 0.000 1.077 222 R CA 0.254 56.267 56.100 -0.145 0.000 1.034 222 R CB -0.018 30.235 30.300 -0.079 0.000 0.993 222 R HN 0.337 nan 8.270 nan 0.000 0.459 223 F N 3.052 122.938 119.950 -0.107 0.000 2.787 223 F HA 0.175 4.715 4.527 0.021 0.000 0.340 223 F C 1.152 176.968 175.800 0.027 0.000 1.232 223 F CA -0.453 57.581 58.000 0.056 0.000 1.051 223 F CB 1.747 40.899 39.000 0.254 0.000 1.330 223 F HN 0.739 nan 8.300 nan 0.000 0.522 224 S N 2.462 118.237 115.700 0.126 0.000 2.380 224 S HA -0.172 4.310 4.470 0.020 0.000 0.229 224 S C 0.853 175.532 174.600 0.132 0.000 1.050 224 S CA 2.092 60.326 58.200 0.057 0.000 1.100 224 S CB -0.128 63.096 63.200 0.041 0.000 0.984 224 S HN 0.732 nan 8.310 nan 0.000 0.434 225 S N -0.192 115.582 115.700 0.123 0.000 2.632 225 S HA 0.467 4.949 4.470 0.020 0.000 0.289 225 S C 0.812 175.267 174.600 -0.241 0.000 1.115 225 S CA -0.267 57.961 58.200 0.047 0.000 0.889 225 S CB 0.654 63.764 63.200 -0.149 0.000 1.116 225 S HN 0.724 nan 8.310 nan 0.000 0.486 226 W N 2.157 123.049 121.300 -0.680 0.000 2.338 226 W HA -0.138 4.537 4.660 0.024 0.000 0.304 226 W C 1.207 177.312 176.519 -0.690 0.000 1.212 226 W CA 1.880 58.455 57.345 -1.283 0.000 1.264 226 W CB -1.112 27.650 29.460 -1.162 0.000 1.142 226 W HN 0.932 nan 8.180 nan 0.000 0.512 227 E N 0.774 119.867 120.200 -1.845 0.000 2.396 227 E HA -0.225 4.137 4.350 0.020 0.000 0.200 227 E C 1.455 177.257 176.600 -1.330 0.000 1.023 227 E CA 1.201 56.497 56.400 -1.840 0.000 0.857 227 E CB -0.674 27.902 29.700 -1.875 0.000 0.775 227 E HN 0.327 nan 8.360 nan 0.000 0.525 228 E N 0.983 120.738 120.200 -0.741 0.000 2.204 228 E HA -0.033 4.329 4.350 0.020 0.000 0.194 228 E C 2.300 178.811 176.600 -0.148 0.000 0.989 228 E CA 0.336 56.568 56.400 -0.280 0.000 0.824 228 E CB -0.183 29.569 29.700 0.086 0.000 0.756 228 E HN 0.406 nan 8.360 nan 0.000 0.477 229 L N 0.078 121.090 121.223 -0.351 0.000 2.046 229 L HA -0.182 4.170 4.340 0.020 0.000 0.208 229 L C 2.449 179.223 176.870 -0.159 0.000 1.077 229 L CA 0.821 55.426 54.840 -0.392 0.000 0.747 229 L CB -0.532 41.239 42.059 -0.480 0.000 0.896 229 L HN -0.003 nan 8.230 nan 0.000 0.432 230 V N -0.985 118.771 119.914 -0.263 0.000 2.244 230 V HA -0.307 3.825 4.120 0.020 0.000 0.244 230 V C 2.180 178.285 176.094 0.017 0.000 1.042 230 V CA 1.773 63.992 62.300 -0.135 0.000 1.006 230 V CB -0.888 30.793 31.823 -0.236 0.000 0.641 230 V HN 0.332 nan 8.190 nan 0.000 0.446 231 Y N 0.317 120.607 120.300 -0.017 0.000 2.241 231 Y HA -0.293 4.270 4.550 0.020 0.000 0.286 231 Y C 2.716 178.654 175.900 0.063 0.000 1.166 231 Y CA 1.299 59.404 58.100 0.007 0.000 1.203 231 Y CB -0.313 38.135 38.460 -0.020 0.000 0.977 231 Y HN 0.358 nan 8.280 nan 0.000 0.529 232 D N 0.573 121.118 120.400 0.242 0.000 2.149 232 D HA -0.143 4.508 4.640 0.020 0.000 0.201 232 D C 2.215 178.651 176.300 0.227 0.000 0.972 232 D CA 1.076 55.236 54.000 0.266 0.000 0.835 232 D CB 0.074 41.135 40.800 0.434 0.000 0.966 232 D HN 0.337 nan 8.370 nan 0.000 0.476 233 A N 0.642 123.598 122.820 0.225 0.000 1.877 233 A HA -0.142 4.190 4.320 0.020 0.000 0.216 233 A C 2.252 179.914 177.584 0.129 0.000 1.186 233 A CA 1.069 53.251 52.037 0.243 0.000 0.620 233 A CB -0.609 18.569 19.000 0.296 0.000 0.822 233 A HN 0.249 nan 8.150 nan 0.000 0.443 234 I N -0.496 120.152 120.570 0.129 0.000 2.315 234 I HA -0.150 4.032 4.170 0.020 0.000 0.248 234 I C 2.463 178.614 176.117 0.056 0.000 1.117 234 I CA 1.174 62.526 61.300 0.087 0.000 1.404 234 I CB -0.351 37.712 38.000 0.106 0.000 1.071 234 I HN 0.200 nan 8.210 nan 0.000 0.419 235 R N 0.464 121.009 120.500 0.076 0.000 2.241 235 R HA -0.098 4.254 4.340 0.020 0.000 0.224 235 R C 1.152 177.465 176.300 0.022 0.000 1.101 235 R CA 0.875 57.005 56.100 0.050 0.000 0.995 235 R CB -0.105 30.237 30.300 0.070 0.000 0.870 235 R HN 0.349 nan 8.270 nan 0.000 0.463 236 K N 0.090 120.495 120.400 0.008 0.000 2.440 236 K HA 0.129 4.461 4.320 0.020 0.000 0.206 236 K C -0.293 176.252 176.600 -0.091 0.000 1.025 236 K CA -0.087 56.171 56.287 -0.049 0.000 1.135 236 K CB 0.695 33.143 32.500 -0.086 0.000 0.856 236 K HN -0.043 nan 8.250 nan 0.000 0.502 237 K N 1.396 121.762 120.400 -0.056 0.000 3.071 237 K HA -0.186 4.146 4.320 0.020 0.000 0.265 237 K C -0.548 175.984 176.600 -0.115 0.000 1.060 237 K CA 0.909 57.153 56.287 -0.071 0.000 0.767 237 K CB -0.915 31.544 32.500 -0.067 0.000 1.241 237 K HN 0.088 nan 8.250 nan 0.000 0.486 238 K N 0.007 120.346 120.400 -0.101 0.000 2.295 238 K HA 0.507 4.839 4.320 0.020 0.000 0.239 238 K C 0.596 177.226 176.600 0.050 0.000 0.991 238 K CA -0.432 55.797 56.287 -0.098 0.000 0.845 238 K CB 1.724 34.054 32.500 -0.283 0.000 1.197 238 K HN 0.167 nan 8.250 nan 0.000 0.441 239 G N -0.392 108.467 108.800 0.097 0.000 2.451 239 G HA2 0.588 4.560 3.960 0.020 0.000 0.303 239 G HA3 0.588 4.560 3.960 0.020 0.000 0.303 239 G C -1.155 173.909 174.900 0.273 0.000 1.166 239 G CA -0.539 44.656 45.100 0.158 0.000 0.884 239 G HN 0.502 nan 8.290 nan 0.000 0.514 240 A N 0.617 123.630 122.820 0.320 0.000 2.385 240 A HA 0.565 4.897 4.320 0.020 0.000 0.290 240 A C -1.240 176.411 177.584 0.112 0.000 1.094 240 A CA -0.524 51.625 52.037 0.187 0.000 0.729 240 A CB 1.611 20.680 19.000 0.115 0.000 1.194 240 A HN 0.999 nan 8.150 nan 0.000 0.442 241 L N 4.395 125.628 121.223 0.016 0.000 2.301 241 L HA 0.642 4.994 4.340 0.020 0.000 0.278 241 L C -1.276 175.362 176.870 -0.387 0.000 1.022 241 L CA -0.583 54.121 54.840 -0.227 0.000 0.854 241 L CB 0.245 42.186 42.059 -0.197 0.000 1.226 241 L HN 0.509 nan 8.230 nan 0.000 0.429 242 I N 5.698 126.063 120.570 -0.342 0.000 2.301 242 I HA 0.272 4.454 4.170 0.020 0.000 0.292 242 I C -0.234 175.671 176.117 -0.353 0.000 1.046 242 I CA 0.213 61.353 61.300 -0.267 0.000 1.282 242 I CB 0.132 38.093 38.000 -0.065 0.000 1.409 242 I HN 0.352 nan 8.210 nan 0.000 0.484 243 F N 5.608 125.494 119.950 -0.105 0.000 2.420 243 F HA 0.525 5.064 4.527 0.020 0.000 0.352 243 F C 0.358 176.082 175.800 -0.126 0.000 1.108 243 F CA -0.450 57.491 58.000 -0.097 0.000 1.162 243 F CB 0.991 39.934 39.000 -0.095 0.000 1.118 243 F HN 0.125 nan 8.300 nan 0.000 0.510 244 V N 3.343 123.340 119.914 0.137 0.000 3.001 244 V HA 0.191 4.323 4.120 0.020 0.000 0.314 244 V C 0.277 176.405 176.094 0.056 0.000 1.099 244 V CA -0.851 61.472 62.300 0.038 0.000 0.989 244 V CB 2.158 33.990 31.823 0.015 0.000 1.040 244 V HN 0.791 nan 8.190 nan 0.000 0.434 245 N N 1.337 120.049 118.700 0.019 0.000 2.336 245 N HA 0.063 4.815 4.740 0.020 0.000 0.177 245 N C 0.265 175.784 175.510 0.015 0.000 1.018 245 N CA 0.883 53.945 53.050 0.019 0.000 0.878 245 N CB 0.033 38.531 38.487 0.018 0.000 0.997 245 N HN 0.407 nan 8.380 nan 0.000 0.433 246 M N 0.485 120.086 119.600 0.001 0.000 2.537 246 M HA 0.384 4.876 4.480 0.020 0.000 0.324 246 M C 1.170 177.430 176.300 -0.066 0.000 1.187 246 M CA -0.496 54.786 55.300 -0.029 0.000 0.993 246 M CB 2.002 34.582 32.600 -0.033 0.000 1.666 246 M HN 0.009 nan 8.290 nan 0.000 0.461 247 R N 0.405 120.812 120.500 -0.156 0.000 2.073 247 R HA -0.068 4.284 4.340 0.020 0.000 0.234 247 R C 1.735 177.850 176.300 -0.307 0.000 1.134 247 R CA 1.204 57.078 56.100 -0.376 0.000 0.952 247 R CB -0.016 29.907 30.300 -0.628 0.000 0.850 247 R HN 0.493 nan 8.270 nan 0.000 0.433 248 R N 1.086 121.462 120.500 -0.207 0.000 2.115 248 R HA -0.081 4.270 4.340 0.020 0.000 0.230 248 R C 2.004 178.237 176.300 -0.112 0.000 1.111 248 R CA 1.159 57.164 56.100 -0.158 0.000 0.976 248 R CB -0.368 29.873 30.300 -0.098 0.000 0.870 248 R HN 0.244 nan 8.270 nan 0.000 0.445 249 K N 0.437 120.794 120.400 -0.073 0.000 2.057 249 K HA -0.013 4.319 4.320 0.020 0.000 0.206 249 K C 1.970 178.561 176.600 -0.014 0.000 1.050 249 K CA 1.154 57.424 56.287 -0.030 0.000 0.935 249 K CB -0.039 32.452 32.500 -0.016 0.000 0.715 249 K HN 0.098 nan 8.250 nan 0.000 0.439 250 A N 1.545 124.357 122.820 -0.013 0.000 1.883 250 A HA -0.237 4.095 4.320 0.020 0.000 0.217 250 A C 1.853 179.444 177.584 0.013 0.000 1.186 250 A CA 1.915 53.987 52.037 0.058 0.000 0.624 250 A CB -0.560 18.540 19.000 0.167 0.000 0.822 250 A HN 0.474 nan 8.150 nan 0.000 0.444 251 E N -0.641 119.433 120.200 -0.210 0.000 2.051 251 E HA -0.194 4.168 4.350 0.020 0.000 0.192 251 E C 2.386 178.922 176.600 -0.106 0.000 0.991 251 E CA 1.196 57.329 56.400 -0.444 0.000 0.799 251 E CB -0.210 29.058 29.700 -0.719 0.000 0.748 251 E HN 0.528 nan 8.360 nan 0.000 0.449 252 R N 0.513 120.976 120.500 -0.062 0.000 2.070 252 R HA -0.121 4.230 4.340 0.020 0.000 0.233 252 R C 2.481 178.818 176.300 0.062 0.000 1.137 252 R CA 1.322 57.426 56.100 0.007 0.000 0.945 252 R CB -0.475 29.830 30.300 0.007 0.000 0.845 252 R HN 0.050 nan 8.270 nan 0.000 0.430 253 V N 0.908 120.873 119.914 0.085 0.000 2.568 253 V HA -0.253 3.879 4.120 0.020 0.000 0.253 253 V C 2.289 178.474 176.094 0.150 0.000 1.072 253 V CA 1.924 64.313 62.300 0.149 0.000 1.084 253 V CB -0.609 31.327 31.823 0.188 0.000 0.676 253 V HN 0.441 nan 8.190 nan 0.000 0.469 254 A N -0.262 122.648 122.820 0.149 0.000 1.898 254 A HA -0.089 4.243 4.320 0.020 0.000 0.214 254 A C 2.102 179.776 177.584 0.150 0.000 1.183 254 A CA 1.591 53.731 52.037 0.172 0.000 0.622 254 A CB -0.468 18.707 19.000 0.291 0.000 0.824 254 A HN 0.435 nan 8.150 nan 0.000 0.444 255 L N 0.224 121.534 121.223 0.146 0.000 2.046 255 L HA -0.136 4.215 4.340 0.020 0.000 0.208 255 L C 2.205 179.124 176.870 0.082 0.000 1.077 255 L CA 2.647 57.554 54.840 0.113 0.000 0.747 255 L CB -0.630 41.486 42.059 0.096 0.000 0.896 255 L HN 0.590 nan 8.230 nan 0.000 0.432 256 E N -0.576 119.672 120.200 0.080 0.000 2.051 256 E HA -0.229 4.133 4.350 0.020 0.000 0.192 256 E C 2.238 178.886 176.600 0.080 0.000 0.991 256 E CA 1.639 58.080 56.400 0.068 0.000 0.799 256 E CB -0.196 29.546 29.700 0.070 0.000 0.748 256 E HN 0.572 nan 8.360 nan 0.000 0.449 257 L N 0.764 122.051 121.223 0.106 0.000 1.955 257 L HA -0.254 4.098 4.340 0.020 0.000 0.213 257 L C 2.887 179.833 176.870 0.127 0.000 1.072 257 L CA 1.711 56.654 54.840 0.170 0.000 0.755 257 L CB -0.934 41.206 42.059 0.136 0.000 0.888 257 L HN 0.289 nan 8.230 nan 0.000 0.432 258 S N 0.127 115.878 115.700 0.085 0.000 2.400 258 S HA -0.305 4.177 4.470 0.020 0.000 0.234 258 S C 1.811 176.415 174.600 0.007 0.000 1.049 258 S CA 1.785 60.012 58.200 0.046 0.000 1.039 258 S CB -0.588 62.641 63.200 0.048 0.000 0.856 258 S HN 0.411 nan 8.310 nan 0.000 0.465 259 K N 1.175 121.577 120.400 0.004 0.000 2.044 259 K HA -0.090 4.242 4.320 0.020 0.000 0.210 259 K C 2.213 178.764 176.600 -0.081 0.000 1.049 259 K CA 1.481 57.752 56.287 -0.026 0.000 0.927 259 K CB -0.224 32.266 32.500 -0.017 0.000 0.713 259 K HN 0.356 nan 8.250 nan 0.000 0.443 260 K N 0.611 120.924 120.400 -0.145 0.000 2.314 260 K HA 0.043 4.375 4.320 0.020 0.000 0.198 260 K C 2.117 178.521 176.600 -0.326 0.000 1.045 260 K CA 0.465 56.559 56.287 -0.322 0.000 0.988 260 K CB 0.094 32.211 32.500 -0.639 0.000 0.783 260 K HN -0.012 nan 8.250 nan 0.000 0.484 261 V N 2.232 122.044 119.914 -0.169 0.000 2.548 261 V HA -0.210 3.922 4.120 0.020 0.000 0.249 261 V C 2.852 178.918 176.094 -0.047 0.000 1.055 261 V CA 2.280 64.542 62.300 -0.064 0.000 1.065 261 V CB -0.787 31.069 31.823 0.055 0.000 0.681 261 V HN 0.373 nan 8.190 nan 0.000 0.462 262 K N 1.175 121.547 120.400 -0.046 0.000 2.044 262 K HA -0.292 4.040 4.320 0.020 0.000 0.210 262 K C 2.321 178.896 176.600 -0.041 0.000 1.049 262 K CA 2.174 58.441 56.287 -0.032 0.000 0.927 262 K CB -1.534 30.949 32.500 -0.028 0.000 0.713 262 K HN 0.763 nan 8.250 nan 0.000 0.443 263 S N 0.534 116.197 115.700 -0.063 0.000 2.493 263 S HA -0.039 4.443 4.470 0.020 0.000 0.243 263 S C 1.693 176.262 174.600 -0.051 0.000 0.991 263 S CA 1.396 59.559 58.200 -0.061 0.000 0.957 263 S CB -0.400 62.750 63.200 -0.082 0.000 0.756 263 S HN 0.465 nan 8.310 nan 0.000 0.521 264 L N 0.270 121.463 121.223 -0.049 0.000 2.667 264 L HA 0.428 4.780 4.340 0.020 0.000 0.232 264 L C 0.440 177.304 176.870 -0.011 0.000 1.138 264 L CA -0.164 54.660 54.840 -0.027 0.000 0.921 264 L CB -0.184 41.864 42.059 -0.018 0.000 1.180 264 L HN 0.240 nan 8.230 nan 0.000 0.487 265 L N -0.970 120.245 121.223 -0.014 0.000 2.544 265 L HA 0.501 4.853 4.340 0.020 0.000 0.256 265 L C 0.738 177.602 176.870 -0.010 0.000 1.097 265 L CA -0.549 54.286 54.840 -0.008 0.000 0.812 265 L CB 1.334 43.389 42.059 -0.006 0.000 1.440 265 L HN 0.027 nan 8.230 nan 0.000 0.496 266 T N -3.616 110.933 114.554 -0.009 0.000 2.949 266 T HA 0.300 4.662 4.350 0.020 0.000 0.287 266 T C 0.505 175.200 174.700 -0.008 0.000 1.034 266 T CA -0.733 61.361 62.100 -0.009 0.000 1.018 266 T CB 1.982 70.846 68.868 -0.008 0.000 1.135 266 T HN 0.462 nan 8.240 nan 0.000 0.532 267 K N 0.800 121.195 120.400 -0.008 0.000 2.026 267 K HA 0.080 4.412 4.320 0.020 0.000 0.208 267 K C -0.993 175.603 176.600 -0.006 0.000 1.048 267 K CA 1.327 57.609 56.287 -0.007 0.000 0.929 267 K CB -1.478 31.018 32.500 -0.007 0.000 0.713 267 K HN 0.435 nan 8.250 nan 0.000 0.439 268 P HA -0.104 nan 4.420 nan 0.000 0.215 268 P C 0.604 177.901 177.300 -0.005 0.000 1.157 268 P CA 1.346 64.443 63.100 -0.005 0.000 0.863 268 P CB 0.058 31.755 31.700 -0.005 0.000 0.787 269 E N -0.431 119.766 120.200 -0.006 0.000 2.033 269 E HA -0.192 4.170 4.350 0.020 0.000 0.199 269 E C 2.061 178.658 176.600 -0.004 0.000 1.011 269 E CA 1.102 57.499 56.400 -0.005 0.000 0.815 269 E CB -0.694 29.003 29.700 -0.005 0.000 0.755 269 E HN 0.174 nan 8.360 nan 0.000 0.451 270 I N 0.726 121.293 120.570 -0.005 0.000 2.185 270 I HA -0.339 3.843 4.170 0.020 0.000 0.246 270 I C 2.650 178.764 176.117 -0.005 0.000 1.088 270 I CA 1.306 62.603 61.300 -0.005 0.000 1.347 270 I CB -0.256 37.740 38.000 -0.007 0.000 1.041 270 I HN 0.079 nan 8.210 nan 0.000 0.415 271 R N 1.576 122.073 120.500 -0.005 0.000 2.081 271 R HA -0.130 4.222 4.340 0.020 0.000 0.235 271 R C 2.220 178.517 176.300 -0.005 0.000 1.131 271 R CA 1.910 58.007 56.100 -0.005 0.000 0.960 271 R CB -0.655 29.643 30.300 -0.004 0.000 0.856 271 R HN 0.332 nan 8.270 nan 0.000 0.436 272 A N 0.439 123.257 122.820 -0.004 0.000 1.902 272 A HA -0.077 4.255 4.320 0.020 0.000 0.217 272 A C 2.227 179.808 177.584 -0.005 0.000 1.181 272 A CA 1.579 53.613 52.037 -0.004 0.000 0.623 272 A CB -0.582 18.416 19.000 -0.003 0.000 0.818 272 A HN 0.362 nan 8.150 nan 0.000 0.443 273 L N -0.765 120.455 121.223 -0.005 0.000 2.093 273 L HA -0.163 4.189 4.340 0.020 0.000 0.208 273 L C 2.320 179.184 176.870 -0.010 0.000 1.085 273 L CA 1.514 56.350 54.840 -0.007 0.000 0.755 273 L CB -0.657 41.398 42.059 -0.005 0.000 0.904 273 L HN 0.437 nan 8.230 nan 0.000 0.435 274 N N -0.091 118.605 118.700 -0.008 0.000 2.043 274 N HA -0.210 4.542 4.740 0.020 0.000 0.193 274 N C 1.771 177.276 175.510 -0.008 0.000 1.037 274 N CA 1.407 54.453 53.050 -0.007 0.000 0.851 274 N CB -0.001 38.483 38.487 -0.005 0.000 1.027 274 N HN 0.338 nan 8.380 nan 0.000 0.422 275 E N 0.134 120.329 120.200 -0.007 0.000 2.160 275 E HA -0.197 4.165 4.350 0.020 0.000 0.195 275 E C 1.791 178.385 176.600 -0.010 0.000 0.991 275 E CA 0.568 56.964 56.400 -0.007 0.000 0.810 275 E CB -0.032 29.665 29.700 -0.006 0.000 0.742 275 E HN 0.257 nan 8.360 nan 0.000 0.466 276 L N 0.976 122.192 121.223 -0.012 0.000 1.988 276 L HA -0.093 4.259 4.340 0.020 0.000 0.207 276 L C 2.272 179.127 176.870 -0.024 0.000 1.071 276 L CA 2.059 56.889 54.840 -0.017 0.000 0.744 276 L CB -0.744 41.304 42.059 -0.018 0.000 0.893 276 L HN 0.017 nan 8.230 nan 0.000 0.433 277 A N -1.408 121.397 122.820 -0.025 0.000 2.070 277 A HA -0.191 4.141 4.320 0.020 0.000 0.220 277 A C 1.753 179.326 177.584 -0.018 0.000 1.159 277 A CA 1.686 53.706 52.037 -0.028 0.000 0.656 277 A CB -0.693 18.293 19.000 -0.023 0.000 0.800 277 A HN 0.541 nan 8.150 nan 0.000 0.453 278 D N -0.043 120.349 120.400 -0.013 0.000 2.336 278 D HA 0.017 4.669 4.640 0.020 0.000 0.229 278 D C 0.547 176.842 176.300 -0.009 0.000 1.061 278 D CA 0.971 54.966 54.000 -0.008 0.000 0.875 278 D CB 0.011 40.807 40.800 -0.005 0.000 0.904 278 D HN 0.495 nan 8.370 nan 0.000 0.525 279 S N 0.167 115.859 115.700 -0.013 0.000 2.256 279 S HA 0.475 4.957 4.470 0.020 0.000 0.210 279 S C -0.171 174.418 174.600 -0.017 0.000 1.329 279 S CA -0.703 57.489 58.200 -0.013 0.000 1.267 279 S CB -0.206 62.986 63.200 -0.013 0.000 1.086 279 S HN 0.000 nan 8.310 nan 0.000 0.468 280 L N 0.686 121.901 121.223 -0.014 0.000 2.543 280 L HA 0.610 4.962 4.340 0.020 0.000 0.265 280 L C 0.067 176.935 176.870 -0.002 0.000 0.945 280 L CA -0.722 54.110 54.840 -0.014 0.000 0.869 280 L CB 1.828 43.872 42.059 -0.025 0.000 1.294 280 L HN 0.420 nan 8.230 nan 0.000 0.405 281 E N 3.334 123.536 120.200 0.003 0.000 2.292 281 E HA 0.149 4.511 4.350 0.020 0.000 0.265 281 E C 0.032 176.644 176.600 0.020 0.000 1.093 281 E CA -0.447 55.961 56.400 0.013 0.000 0.922 281 E CB -0.140 29.571 29.700 0.019 0.000 1.001 281 E HN 0.508 nan 8.360 nan 0.000 0.444 282 E N 2.318 122.530 120.200 0.020 0.000 3.225 282 E HA -0.139 4.223 4.350 0.020 0.000 0.289 282 E C -0.183 176.438 176.600 0.035 0.000 0.885 282 E CA 1.026 57.442 56.400 0.026 0.000 0.986 282 E CB 0.050 29.765 29.700 0.024 0.000 0.971 282 E HN 0.729 nan 8.360 nan 0.000 0.508 283 N N 2.090 120.815 118.700 0.041 0.000 3.521 283 N HA 0.047 4.799 4.740 0.020 0.000 0.228 283 N C -2.533 173.013 175.510 0.061 0.000 1.328 283 N CA -1.100 51.981 53.050 0.051 0.000 0.907 283 N CB 1.578 40.100 38.487 0.058 0.000 1.487 283 N HN -0.010 nan 8.380 nan 0.000 0.503 284 P HA -0.080 nan 4.420 nan 0.000 0.220 284 P C 1.062 178.418 177.300 0.094 0.000 1.148 284 P CA 1.552 64.691 63.100 0.065 0.000 0.803 284 P CB 0.136 31.868 31.700 0.053 0.000 0.782 285 T N -5.054 109.569 114.554 0.115 0.000 3.009 285 T HA 0.054 4.416 4.350 0.020 0.000 0.258 285 T C 1.647 176.469 174.700 0.204 0.000 1.063 285 T CA 0.659 62.867 62.100 0.179 0.000 1.139 285 T CB -0.805 68.169 68.868 0.178 0.000 0.890 285 T HN -0.089 nan 8.240 nan 0.000 0.471 286 N N 1.499 120.269 118.700 0.117 0.000 2.446 286 N HA 0.148 4.900 4.740 0.020 0.000 0.179 286 N C 2.223 177.776 175.510 0.073 0.000 1.054 286 N CA 1.121 54.214 53.050 0.070 0.000 0.905 286 N CB -0.371 38.136 38.487 0.033 0.000 0.973 286 N HN 0.808 nan 8.380 nan 0.000 0.448 287 E N 1.596 121.851 120.200 0.091 0.000 2.028 287 E HA -0.130 4.232 4.350 0.020 0.000 0.191 287 E C 1.819 178.488 176.600 0.114 0.000 0.988 287 E CA 1.333 57.781 56.400 0.079 0.000 0.799 287 E CB -0.635 29.106 29.700 0.069 0.000 0.755 287 E HN 0.390 nan 8.360 nan 0.000 0.447 288 K N -0.626 119.883 120.400 0.183 0.000 2.063 288 K HA -0.066 4.266 4.320 0.020 0.000 0.208 288 K C 2.295 179.142 176.600 0.412 0.000 1.048 288 K CA 1.337 57.795 56.287 0.285 0.000 0.928 288 K CB -0.283 32.385 32.500 0.281 0.000 0.713 288 K HN 0.284 nan 8.250 nan 0.000 0.442 289 L N 1.082 122.484 121.223 0.298 0.000 2.017 289 L HA -0.147 4.205 4.340 0.020 0.000 0.208 289 L C 2.190 178.985 176.870 -0.125 0.000 1.073 289 L CA 1.880 56.574 54.840 -0.244 0.000 0.745 289 L CB -0.758 41.035 42.059 -0.444 0.000 0.894 289 L HN 0.133 nan 8.230 nan 0.000 0.432 290 A N -0.394 122.405 122.820 -0.035 0.000 1.845 290 A HA -0.272 4.060 4.320 0.020 0.000 0.215 290 A C 2.374 179.959 177.584 0.001 0.000 1.195 290 A CA 2.033 54.055 52.037 -0.025 0.000 0.616 290 A CB -0.778 18.219 19.000 -0.006 0.000 0.832 290 A HN 0.425 nan 8.150 nan 0.000 0.443 291 K N 0.149 120.570 120.400 0.035 0.000 2.113 291 K HA -0.124 4.207 4.320 0.020 0.000 0.208 291 K C 1.899 178.526 176.600 0.045 0.000 1.047 291 K CA 1.937 58.249 56.287 0.042 0.000 0.928 291 K CB -0.528 32.008 32.500 0.060 0.000 0.716 291 K HN 0.376 nan 8.250 nan 0.000 0.446 292 A N 0.452 123.312 122.820 0.067 0.000 1.872 292 A HA -0.031 4.301 4.320 0.020 0.000 0.214 292 A C 2.265 179.858 177.584 0.015 0.000 1.187 292 A CA 1.470 53.549 52.037 0.071 0.000 0.614 292 A CB -0.551 18.541 19.000 0.153 0.000 0.826 292 A HN 0.336 nan 8.150 nan 0.000 0.442 293 I N -0.535 120.016 120.570 -0.031 0.000 2.286 293 I HA -0.254 3.928 4.170 0.020 0.000 0.248 293 I C 2.335 178.440 176.117 -0.019 0.000 1.115 293 I CA 1.152 62.424 61.300 -0.047 0.000 1.392 293 I CB -0.322 37.630 38.000 -0.080 0.000 1.065 293 I HN 0.303 nan 8.210 nan 0.000 0.418 294 R N 0.592 121.086 120.500 -0.010 0.000 2.397 294 R HA -0.086 4.266 4.340 0.020 0.000 0.213 294 R C 1.459 177.758 176.300 -0.001 0.000 1.102 294 R CA 0.894 56.992 56.100 -0.004 0.000 1.040 294 R CB -0.343 29.957 30.300 -0.001 0.000 0.844 294 R HN 0.392 nan 8.270 nan 0.000 0.478 295 G N -1.313 107.488 108.800 0.003 0.000 3.735 295 G HA2 0.299 4.270 3.960 0.020 0.000 0.283 295 G HA3 0.299 4.270 3.960 0.020 0.000 0.283 295 G C 0.742 175.648 174.900 0.011 0.000 1.007 295 G CA 0.122 45.225 45.100 0.005 0.000 0.821 295 G HN 0.287 nan 8.290 nan 0.000 0.505 296 G N -0.777 108.028 108.800 0.009 0.000 2.189 296 G HA2 -0.237 3.735 3.960 0.020 0.000 0.267 296 G HA3 -0.237 3.735 3.960 0.020 0.000 0.267 296 G C 0.158 175.070 174.900 0.020 0.000 0.975 296 G CA 0.528 45.639 45.100 0.020 0.000 0.644 296 G HN 1.003 nan 8.290 nan 0.000 0.537 297 V N 0.134 120.053 119.914 0.009 0.000 2.540 297 V HA 0.885 5.017 4.120 0.020 0.000 0.302 297 V C 0.358 176.429 176.094 -0.039 0.000 1.035 297 V CA -0.291 62.006 62.300 -0.005 0.000 0.873 297 V CB 1.625 33.471 31.823 0.039 0.000 0.992 297 V HN 1.255 nan 8.190 nan 0.000 0.428 298 A N 4.237 126.994 122.820 -0.105 0.000 2.413 298 A HA 1.005 5.337 4.320 0.020 0.000 0.307 298 A C -0.894 176.615 177.584 -0.125 0.000 1.087 298 A CA -0.548 51.373 52.037 -0.193 0.000 0.750 298 A CB 1.504 20.356 19.000 -0.247 0.000 1.296 298 A HN 0.915 nan 8.150 nan 0.000 0.423 299 F N -0.564 119.355 119.950 -0.052 0.000 2.483 299 F HA 0.828 5.369 4.527 0.023 0.000 0.329 299 F C -0.185 175.592 175.800 -0.039 0.000 1.064 299 F CA -0.832 57.155 58.000 -0.022 0.000 0.986 299 F CB 1.020 40.044 39.000 0.039 0.000 1.218 299 F HN 0.745 nan 8.300 nan 0.000 0.484 300 H N 0.955 120.115 119.070 0.150 0.000 3.017 300 H HA 0.557 5.124 4.556 0.018 0.000 0.340 300 H C -1.508 173.894 175.328 0.123 0.000 1.014 300 H CA -0.536 55.518 56.048 0.009 0.000 1.341 300 H CB 1.030 30.771 29.762 -0.034 0.000 1.739 300 H HN 0.979 nan 8.280 nan 0.000 0.506 301 H N 1.732 120.891 119.070 0.148 0.000 2.932 301 H HA 0.486 5.057 4.556 0.024 0.000 0.307 301 H C -0.078 175.280 175.328 0.050 0.000 1.391 301 H CA -0.443 55.705 56.048 0.166 0.000 1.130 301 H CB 0.713 30.563 29.762 0.146 0.000 1.836 301 H HN 0.498 nan 8.280 nan 0.000 0.522 302 A N 0.258 123.257 122.820 0.298 0.000 2.178 302 A HA 0.079 4.410 4.320 0.020 0.000 0.218 302 A C 2.043 179.746 177.584 0.199 0.000 1.157 302 A CA 1.414 53.557 52.037 0.177 0.000 0.689 302 A CB -1.370 17.708 19.000 0.130 0.000 0.787 302 A HN 0.904 nan 8.150 nan 0.000 0.465 303 G N -0.982 108.071 108.800 0.422 0.000 2.813 303 G HA2 0.296 4.268 3.960 0.020 0.000 0.209 303 G HA3 0.296 4.268 3.960 0.020 0.000 0.209 303 G C 0.542 175.575 174.900 0.221 0.000 1.150 303 G CA -0.106 45.193 45.100 0.333 0.000 0.785 303 G HN 0.409 nan 8.290 nan 0.000 0.535 304 L N 0.626 121.897 121.223 0.080 0.000 2.379 304 L HA 0.545 4.897 4.340 0.020 0.000 0.269 304 L C 1.182 178.019 176.870 -0.054 0.000 1.084 304 L CA -0.940 53.877 54.840 -0.039 0.000 0.802 304 L CB 1.375 43.309 42.059 -0.209 0.000 1.175 304 L HN 0.103 nan 8.230 nan 0.000 0.448 305 G N 0.299 109.066 108.800 -0.055 0.000 2.572 305 G HA2 0.105 4.077 3.960 0.020 0.000 0.261 305 G HA3 0.105 4.077 3.960 0.020 0.000 0.261 305 G C 0.719 175.533 174.900 -0.144 0.000 1.197 305 G CA -0.374 44.674 45.100 -0.086 0.000 0.870 305 G HN 0.761 nan 8.290 nan 0.000 0.548 306 R N -0.227 120.147 120.500 -0.209 0.000 2.103 306 R HA -0.136 4.216 4.340 0.020 0.000 0.242 306 R C 1.702 177.924 176.300 -0.129 0.000 1.142 306 R CA 2.102 58.085 56.100 -0.195 0.000 0.960 306 R CB -0.325 29.811 30.300 -0.274 0.000 0.858 306 R HN 0.626 nan 8.270 nan 0.000 0.439 307 D N 0.397 120.732 120.400 -0.109 0.000 2.092 307 D HA -0.160 4.492 4.640 0.020 0.000 0.193 307 D C 1.877 178.130 176.300 -0.078 0.000 0.994 307 D CA 1.475 55.431 54.000 -0.073 0.000 0.828 307 D CB -0.293 40.475 40.800 -0.052 0.000 0.963 307 D HN 0.276 nan 8.370 nan 0.000 0.450 308 E N 0.295 120.437 120.200 -0.096 0.000 2.110 308 E HA -0.094 4.268 4.350 0.020 0.000 0.193 308 E C 2.202 178.704 176.600 -0.164 0.000 0.988 308 E CA 0.829 57.155 56.400 -0.123 0.000 0.804 308 E CB -0.035 29.588 29.700 -0.128 0.000 0.745 308 E HN 0.230 nan 8.360 nan 0.000 0.458 309 R N -0.079 120.304 120.500 -0.194 0.000 2.090 309 R HA -0.001 4.351 4.340 0.020 0.000 0.228 309 R C 2.285 178.552 176.300 -0.055 0.000 1.110 309 R CA 0.986 56.929 56.100 -0.261 0.000 0.973 309 R CB -0.321 29.762 30.300 -0.362 0.000 0.869 309 R HN 0.081 nan 8.270 nan 0.000 0.440 310 V N 1.741 121.632 119.914 -0.038 0.000 2.407 310 V HA -0.212 3.920 4.120 0.020 0.000 0.248 310 V C 2.243 178.345 176.094 0.013 0.000 1.055 310 V CA 1.430 63.735 62.300 0.008 0.000 1.049 310 V CB -0.354 31.462 31.823 -0.012 0.000 0.662 310 V HN 0.297 nan 8.190 nan 0.000 0.455 311 L N -0.644 120.567 121.223 -0.020 0.000 2.141 311 L HA -0.097 4.255 4.340 0.020 0.000 0.209 311 L C 2.238 179.105 176.870 -0.005 0.000 1.094 311 L CA 1.189 56.018 54.840 -0.019 0.000 0.763 311 L CB 0.018 42.050 42.059 -0.045 0.000 0.908 311 L HN 0.140 nan 8.230 nan 0.000 0.437 312 V N -0.194 119.714 119.914 -0.010 0.000 2.346 312 V HA -0.194 3.937 4.120 0.020 0.000 0.244 312 V C 2.276 178.436 176.094 0.110 0.000 1.037 312 V CA 1.730 64.036 62.300 0.010 0.000 1.029 312 V CB -0.337 31.466 31.823 -0.033 0.000 0.663 312 V HN 0.451 nan 8.190 nan 0.000 0.454 313 E N 0.197 120.489 120.200 0.153 0.000 2.038 313 E HA -0.264 4.098 4.350 0.020 0.000 0.195 313 E C 2.224 178.920 176.600 0.160 0.000 1.000 313 E CA 1.770 58.278 56.400 0.179 0.000 0.803 313 E CB -0.162 29.632 29.700 0.158 0.000 0.750 313 E HN 0.653 nan 8.360 nan 0.000 0.448 314 E N 0.624 120.885 120.200 0.101 0.000 2.031 314 E HA -0.157 4.205 4.350 0.020 0.000 0.193 314 E C 1.558 178.199 176.600 0.068 0.000 0.994 314 E CA 1.213 57.655 56.400 0.069 0.000 0.800 314 E CB -0.174 29.551 29.700 0.042 0.000 0.752 314 E HN 0.258 nan 8.360 nan 0.000 0.447 315 N N -0.422 118.322 118.700 0.074 0.000 2.571 315 N HA -0.073 4.679 4.740 0.020 0.000 0.189 315 N C 0.980 176.569 175.510 0.132 0.000 1.154 315 N CA 0.032 53.123 53.050 0.068 0.000 0.907 315 N CB 0.115 38.626 38.487 0.040 0.000 0.977 315 N HN 0.078 nan 8.380 nan 0.000 0.449 316 F N 1.232 121.168 119.950 -0.022 0.000 2.343 316 F HA 0.255 4.795 4.527 0.021 0.000 0.286 316 F C 2.176 177.958 175.800 -0.031 0.000 1.057 316 F CA 0.495 58.477 58.000 -0.029 0.000 1.365 316 F CB -0.166 38.818 39.000 -0.026 0.000 1.114 316 F HN -0.205 nan 8.300 nan 0.000 0.545 317 R N 0.813 121.263 120.500 -0.084 0.000 2.159 317 R HA -0.142 4.210 4.340 0.020 0.000 0.237 317 R C 1.536 177.748 176.300 -0.146 0.000 1.131 317 R CA 1.332 57.334 56.100 -0.163 0.000 0.982 317 R CB -0.179 30.105 30.300 -0.027 0.000 0.868 317 R HN 0.260 nan 8.270 nan 0.000 0.453 318 K N -1.023 119.328 120.400 -0.081 0.000 2.458 318 K HA 0.067 4.399 4.320 0.020 0.000 0.194 318 K C 0.778 177.318 176.600 -0.099 0.000 1.024 318 K CA 0.490 56.739 56.287 -0.064 0.000 1.108 318 K CB 0.508 32.998 32.500 -0.017 0.000 0.846 318 K HN 0.418 nan 8.250 nan 0.000 0.518 319 G N 1.544 110.246 108.800 -0.163 0.000 2.196 319 G HA2 -0.311 3.661 3.960 0.020 0.000 0.268 319 G HA3 -0.311 3.661 3.960 0.020 0.000 0.268 319 G C 0.830 175.700 174.900 -0.050 0.000 0.975 319 G CA 0.581 45.585 45.100 -0.160 0.000 0.648 319 G HN 0.340 nan 8.290 nan 0.000 0.538 320 I N 0.074 120.640 120.570 -0.007 0.000 2.233 320 I HA 0.098 4.280 4.170 0.020 0.000 0.243 320 I C 1.664 177.812 176.117 0.051 0.000 1.093 320 I CA 0.827 62.136 61.300 0.015 0.000 1.380 320 I CB -0.101 37.908 38.000 0.014 0.000 1.067 320 I HN 0.168 nan 8.210 nan 0.000 0.413 321 I N 1.820 122.456 120.570 0.111 0.000 2.416 321 I HA 0.003 4.184 4.170 0.020 0.000 0.288 321 I C 1.149 177.424 176.117 0.265 0.000 1.051 321 I CA -0.043 61.348 61.300 0.152 0.000 1.375 321 I CB 1.022 39.116 38.000 0.156 0.000 1.407 321 I HN 0.074 nan 8.210 nan 0.000 0.516 322 K N 4.940 125.442 120.400 0.171 0.000 2.186 322 K HA 0.270 4.602 4.320 0.020 0.000 0.202 322 K C 0.282 177.056 176.600 0.290 0.000 1.052 322 K CA 0.427 56.834 56.287 0.199 0.000 0.965 322 K CB 0.248 32.812 32.500 0.106 0.000 0.746 322 K HN 0.680 nan 8.250 nan 0.000 0.457 323 A N 0.271 123.155 122.820 0.106 0.000 2.587 323 A HA 0.646 4.978 4.320 0.020 0.000 0.293 323 A C -1.358 175.980 177.584 -0.410 0.000 1.087 323 A CA -0.611 51.382 52.037 -0.075 0.000 0.692 323 A CB 1.999 21.001 19.000 0.003 0.000 1.291 323 A HN -0.130 nan 8.150 nan 0.000 0.407 324 V N 1.316 120.871 119.914 -0.598 0.000 2.569 324 V HA 0.413 4.544 4.120 0.020 0.000 0.301 324 V C -0.794 175.104 176.094 -0.327 0.000 1.044 324 V CA -0.514 61.453 62.300 -0.556 0.000 0.874 324 V CB 1.755 33.023 31.823 -0.926 0.000 1.002 324 V HN 0.736 nan 8.190 nan 0.000 0.424 325 V N 4.363 124.201 119.914 -0.128 0.000 2.333 325 V HA 0.848 4.980 4.120 0.020 0.000 0.274 325 V C 0.430 176.547 176.094 0.037 0.000 1.028 325 V CA -0.144 62.131 62.300 -0.042 0.000 0.851 325 V CB 1.079 32.949 31.823 0.079 0.000 1.000 325 V HN 0.991 nan 8.190 nan 0.000 0.456 326 A N 3.587 126.400 122.820 -0.011 0.000 2.454 326 A HA 0.895 5.227 4.320 0.020 0.000 0.302 326 A C 0.105 177.857 177.584 0.280 0.000 1.079 326 A CA -0.552 51.581 52.037 0.160 0.000 0.731 326 A CB 1.771 20.814 19.000 0.072 0.000 1.299 326 A HN 0.801 nan 8.150 nan 0.000 0.413 327 T N -0.615 114.116 114.554 0.296 0.000 2.889 327 T HA 0.518 4.879 4.350 0.020 0.000 0.291 327 T C -2.402 172.431 174.700 0.221 0.000 0.995 327 T CA -1.540 60.698 62.100 0.230 0.000 1.092 327 T CB 1.019 69.994 68.868 0.178 0.000 0.954 327 T HN 0.236 nan 8.240 nan 0.000 0.506 328 P HA 0.147 nan 4.420 nan 0.000 0.258 328 P C 0.841 178.150 177.300 0.014 0.000 1.403 328 P CA 0.082 63.165 63.100 -0.028 0.000 0.826 328 P CB -0.086 31.489 31.700 -0.208 0.000 1.414 329 T N -0.483 114.119 114.554 0.080 0.000 2.673 329 T HA 0.015 4.377 4.350 0.020 0.000 0.248 329 T C 1.346 176.102 174.700 0.093 0.000 1.080 329 T CA 0.843 62.989 62.100 0.078 0.000 1.203 329 T CB -0.651 68.272 68.868 0.093 0.000 0.893 329 T HN 0.092 nan 8.240 nan 0.000 0.404 330 L N 1.908 123.216 121.223 0.142 0.000 2.627 330 L HA 0.164 4.516 4.340 0.020 0.000 0.232 330 L C 2.424 179.400 176.870 0.176 0.000 1.150 330 L CA -0.111 54.821 54.840 0.154 0.000 0.917 330 L CB -0.347 41.818 42.059 0.175 0.000 1.104 330 L HN 0.333 nan 8.230 nan 0.000 0.445 331 S N 1.239 117.021 115.700 0.137 0.000 2.393 331 S HA -0.401 4.081 4.470 0.020 0.000 0.235 331 S C 2.291 176.926 174.600 0.058 0.000 1.061 331 S CA 2.077 60.331 58.200 0.091 0.000 1.129 331 S CB -0.156 63.085 63.200 0.069 0.000 1.011 331 S HN 0.563 nan 8.310 nan 0.000 0.436 332 A N 0.937 123.798 122.820 0.068 0.000 2.038 332 A HA -0.141 4.191 4.320 0.020 0.000 0.224 332 A C 2.459 180.087 177.584 0.073 0.000 1.190 332 A CA 2.432 54.512 52.037 0.071 0.000 0.668 332 A CB -2.029 17.013 19.000 0.070 0.000 0.820 332 A HN 0.914 nan 8.150 nan 0.000 0.474 333 G N -0.264 108.586 108.800 0.085 0.000 2.475 333 G HA2 -0.129 3.843 3.960 0.020 0.000 0.220 333 G HA3 -0.129 3.843 3.960 0.020 0.000 0.220 333 G C 0.909 175.853 174.900 0.075 0.000 1.125 333 G CA 0.892 46.051 45.100 0.099 0.000 0.755 333 G HN 0.589 nan 8.290 nan 0.000 0.565 334 I N 2.761 123.338 120.570 0.012 0.000 2.397 334 I HA -0.001 4.181 4.170 0.020 0.000 0.291 334 I C 0.894 177.060 176.117 0.081 0.000 1.125 334 I CA -0.251 61.060 61.300 0.019 0.000 1.961 334 I CB -0.208 37.746 38.000 -0.076 0.000 1.508 334 I HN 0.275 nan 8.210 nan 0.000 0.886 335 N N 1.931 120.680 118.700 0.082 0.000 2.617 335 N HA -0.056 4.696 4.740 0.020 0.000 0.198 335 N C -0.135 175.426 175.510 0.085 0.000 1.317 335 N CA 0.142 53.242 53.050 0.084 0.000 0.892 335 N CB -0.282 38.249 38.487 0.072 0.000 1.041 335 N HN 0.308 nan 8.380 nan 0.000 0.450 336 T N 2.648 117.261 114.554 0.099 0.000 2.762 336 T HA 0.313 4.675 4.350 0.020 0.000 0.303 336 T C -2.169 172.585 174.700 0.090 0.000 0.977 336 T CA -1.150 61.000 62.100 0.083 0.000 0.961 336 T CB 1.605 70.560 68.868 0.146 0.000 0.944 336 T HN 0.133 nan 8.240 nan 0.000 0.481 337 P HA 0.600 nan 4.420 nan 0.000 0.286 337 P C -1.031 176.284 177.300 0.024 0.000 1.293 337 P CA -0.555 62.583 63.100 0.064 0.000 0.770 337 P CB 0.554 32.291 31.700 0.062 0.000 1.206 338 A N -0.974 121.881 122.820 0.059 0.000 2.577 338 A HA 0.358 4.690 4.320 0.020 0.000 0.297 338 A C 0.184 177.833 177.584 0.108 0.000 1.060 338 A CA -0.462 51.617 52.037 0.069 0.000 0.697 338 A CB -0.117 18.985 19.000 0.170 0.000 1.281 338 A HN 0.467 nan 8.150 nan 0.000 0.402 339 F N 1.727 121.686 119.950 0.015 0.000 2.063 339 F HA -0.078 4.461 4.527 0.021 0.000 0.298 339 F C 0.981 176.812 175.800 0.053 0.000 1.109 339 F CA 2.417 60.437 58.000 0.033 0.000 1.212 339 F CB 0.063 39.080 39.000 0.028 0.000 0.973 339 F HN 0.602 nan 8.300 nan 0.000 0.480 340 R N 0.266 120.647 120.500 -0.197 0.000 2.437 340 R HA 0.540 4.892 4.340 0.020 0.000 0.310 340 R C -1.757 174.497 176.300 -0.077 0.000 0.955 340 R CA -0.640 55.299 56.100 -0.269 0.000 0.851 340 R CB 1.832 32.024 30.300 -0.180 0.000 1.161 340 R HN -0.049 nan 8.270 nan 0.000 0.446 341 V N 6.696 126.568 119.914 -0.069 0.000 2.350 341 V HA 0.388 4.520 4.120 0.020 0.000 0.285 341 V C -0.170 175.908 176.094 -0.026 0.000 1.014 341 V CA -0.567 61.720 62.300 -0.021 0.000 0.831 341 V CB 1.554 33.414 31.823 0.062 0.000 1.000 341 V HN 0.657 nan 8.190 nan 0.000 0.433 342 I N 6.201 126.735 120.570 -0.059 0.000 2.330 342 I HA 0.426 4.608 4.170 0.020 0.000 0.289 342 I C -0.113 175.952 176.117 -0.087 0.000 1.001 342 I CA -0.315 60.934 61.300 -0.085 0.000 1.193 342 I CB 1.475 39.423 38.000 -0.087 0.000 1.345 342 I HN 0.428 nan 8.210 nan 0.000 0.461 343 I N 6.773 127.297 120.570 -0.078 0.000 2.256 343 I HA 0.124 4.306 4.170 0.020 0.000 0.294 343 I C 1.510 177.507 176.117 -0.200 0.000 1.127 343 I CA -0.223 61.034 61.300 -0.073 0.000 1.247 343 I CB 0.524 38.459 38.000 -0.108 0.000 1.460 343 I HN 0.612 nan 8.210 nan 0.000 0.511 344 R N 3.623 123.944 120.500 -0.298 0.000 2.096 344 R HA -0.059 4.292 4.340 0.020 0.000 0.235 344 R C -0.070 176.052 176.300 -0.297 0.000 1.127 344 R CA 1.580 57.380 56.100 -0.500 0.000 0.968 344 R CB -0.072 29.823 30.300 -0.675 0.000 0.861 344 R HN 0.445 nan 8.270 nan 0.000 0.440 345 D N -0.870 119.431 120.400 -0.164 0.000 2.350 345 D HA 0.228 4.880 4.640 0.020 0.000 0.245 345 D C 0.512 176.775 176.300 -0.063 0.000 1.036 345 D CA -0.306 53.654 54.000 -0.066 0.000 0.848 345 D CB 1.666 42.448 40.800 -0.029 0.000 1.307 345 D HN 0.277 nan 8.370 nan 0.000 0.469 346 I N -3.612 116.955 120.570 -0.005 0.000 4.338 346 I HA 0.389 4.571 4.170 0.020 0.000 0.329 346 I C -0.599 175.351 176.117 -0.277 0.000 1.378 346 I CA -0.462 60.754 61.300 -0.141 0.000 1.170 346 I CB 0.390 38.303 38.000 -0.145 0.000 1.206 346 I HN 0.022 nan 8.210 nan 0.000 0.432 347 W N 4.080 125.375 121.300 -0.010 0.000 2.424 347 W HA 0.535 5.196 4.660 0.002 0.000 0.318 347 W C 0.183 176.695 176.519 -0.012 0.000 1.016 347 W CA -0.518 56.826 57.345 -0.002 0.000 1.268 347 W CB 1.171 30.629 29.460 -0.004 0.000 1.297 347 W HN 0.012 nan 8.180 nan 0.000 0.428 348 R N 0.751 121.327 120.500 0.127 0.000 2.720 348 R HA 0.747 5.099 4.340 0.020 0.000 0.272 348 R C -0.167 176.192 176.300 0.100 0.000 0.991 348 R CA -0.853 55.298 56.100 0.086 0.000 1.010 348 R CB 0.172 30.485 30.300 0.022 0.000 1.141 348 R HN 0.392 nan 8.270 nan 0.000 0.494 349 Y N 0.467 120.809 120.300 0.069 0.000 2.697 349 Y HA 0.412 4.974 4.550 0.020 0.000 0.349 349 Y C 0.798 176.727 175.900 0.049 0.000 1.120 349 Y CA -0.378 57.758 58.100 0.060 0.000 1.468 349 Y CB -0.957 37.528 38.460 0.042 0.000 1.182 349 Y HN 0.993 nan 8.280 nan 0.000 0.525 350 S N 1.128 116.860 115.700 0.053 0.000 2.645 350 S HA 0.423 4.904 4.470 0.020 0.000 0.266 350 S C 0.304 174.917 174.600 0.023 0.000 1.258 350 S CA -0.156 58.065 58.200 0.035 0.000 0.990 350 S CB 0.199 63.422 63.200 0.038 0.000 0.967 350 S HN 0.718 nan 8.310 nan 0.000 0.556 351 D N 0.555 120.960 120.400 0.009 0.000 2.881 351 D HA 0.481 5.132 4.640 0.020 0.000 0.240 351 D C 0.350 176.624 176.300 -0.042 0.000 1.249 351 D CA 1.097 55.093 54.000 -0.007 0.000 0.839 351 D CB -0.604 40.193 40.800 -0.006 0.000 1.042 351 D HN 0.614 nan 8.370 nan 0.000 0.475 352 F N -1.595 118.339 119.950 -0.027 0.000 2.531 352 F HA 0.518 5.057 4.527 0.020 0.000 0.410 352 F C 1.187 176.979 175.800 -0.015 0.000 0.829 352 F CA -0.066 57.910 58.000 -0.039 0.000 0.913 352 F CB 0.427 39.406 39.000 -0.036 0.000 1.106 352 F HN 0.261 nan 8.300 nan 0.000 0.594 353 G N -0.211 108.595 108.800 0.010 0.000 2.623 353 G HA2 0.516 4.488 3.960 0.020 0.000 0.085 353 G HA3 0.516 4.488 3.960 0.020 0.000 0.085 353 G C -1.249 173.686 174.900 0.059 0.000 1.116 353 G CA 0.239 45.354 45.100 0.025 0.000 1.200 353 G HN 0.415 nan 8.290 nan 0.000 0.556 354 M N 1.964 121.618 119.600 0.090 0.000 2.336 354 M HA 0.588 5.080 4.480 0.020 0.000 0.342 354 M C -0.616 175.851 176.300 0.279 0.000 1.128 354 M CA -0.489 54.922 55.300 0.186 0.000 1.016 354 M CB 0.853 33.550 32.600 0.161 0.000 1.665 354 M HN 0.783 nan 8.290 nan 0.000 0.445 355 E N 1.720 122.096 120.200 0.295 0.000 2.366 355 E HA 0.630 4.992 4.350 0.020 0.000 0.278 355 E C -1.298 175.212 176.600 -0.150 0.000 0.923 355 E CA -1.097 55.373 56.400 0.116 0.000 0.761 355 E CB 1.812 31.529 29.700 0.029 0.000 1.231 355 E HN 0.555 nan 8.360 nan 0.000 0.443 356 R N 1.887 122.034 120.500 -0.588 0.000 2.641 356 R HA 0.362 4.714 4.340 0.020 0.000 0.269 356 R C 0.169 176.275 176.300 -0.322 0.000 1.074 356 R CA -0.586 55.000 56.100 -0.856 0.000 1.133 356 R CB 0.351 30.113 30.300 -0.898 0.000 1.029 356 R HN 0.499 nan 8.270 nan 0.000 0.488 357 I N 3.097 123.529 120.570 -0.230 0.000 2.556 357 I HA 0.051 4.232 4.170 0.020 0.000 0.284 357 I C -1.825 174.292 176.117 -0.000 0.000 1.114 357 I CA -1.865 59.369 61.300 -0.111 0.000 1.418 357 I CB 0.525 38.432 38.000 -0.155 0.000 1.394 357 I HN 0.222 nan 8.210 nan 0.000 0.552 358 P HA 0.018 nan 4.420 nan 0.000 0.266 358 P C 0.798 178.101 177.300 0.004 0.000 1.193 358 P CA 0.187 63.291 63.100 0.006 0.000 0.770 358 P CB 0.596 32.286 31.700 -0.017 0.000 0.836 359 I N 2.082 122.628 120.570 -0.040 0.000 2.163 359 I HA -0.270 3.912 4.170 0.020 0.000 0.243 359 I C 2.154 178.062 176.117 -0.348 0.000 1.085 359 I CA 1.523 62.707 61.300 -0.192 0.000 1.347 359 I CB -0.512 37.249 38.000 -0.398 0.000 1.044 359 I HN 0.405 nan 8.210 nan 0.000 0.408 360 I N 0.566 121.006 120.570 -0.216 0.000 2.145 360 I HA -0.350 3.832 4.170 0.020 0.000 0.244 360 I C 2.518 178.547 176.117 -0.148 0.000 1.075 360 I CA 1.739 62.941 61.300 -0.163 0.000 1.332 360 I CB -0.513 37.419 38.000 -0.113 0.000 1.033 360 I HN 0.305 nan 8.210 nan 0.000 0.410 361 E N 0.195 120.316 120.200 -0.133 0.000 2.106 361 E HA -0.155 4.207 4.350 0.020 0.000 0.192 361 E C 2.333 178.823 176.600 -0.183 0.000 0.984 361 E CA 1.050 57.368 56.400 -0.138 0.000 0.806 361 E CB 0.107 29.732 29.700 -0.125 0.000 0.750 361 E HN 0.302 nan 8.360 nan 0.000 0.458 362 V N 0.527 120.308 119.914 -0.222 0.000 2.427 362 V HA -0.252 3.880 4.120 0.020 0.000 0.248 362 V C 1.777 177.805 176.094 -0.110 0.000 1.051 362 V CA 1.857 63.993 62.300 -0.274 0.000 1.048 362 V CB -0.546 30.975 31.823 -0.502 0.000 0.666 362 V HN 0.368 nan 8.190 nan 0.000 0.456 363 H N -0.671 118.332 119.070 -0.113 0.000 2.389 363 H HA -0.139 4.430 4.556 0.022 0.000 0.299 363 H C 2.508 177.783 175.328 -0.088 0.000 1.081 363 H CA 1.295 57.291 56.048 -0.085 0.000 1.345 363 H CB 0.175 29.895 29.762 -0.070 0.000 1.393 363 H HN 0.472 nan 8.280 nan 0.000 0.520 364 Q N 0.131 119.938 119.800 0.012 0.000 2.119 364 Q HA -0.142 4.210 4.340 0.020 0.000 0.201 364 Q C 2.200 178.173 176.000 -0.046 0.000 0.972 364 Q CA 1.159 56.944 55.803 -0.030 0.000 0.847 364 Q CB 0.077 28.777 28.738 -0.062 0.000 0.903 364 Q HN 0.532 nan 8.270 nan 0.000 0.433 365 M N -0.036 119.495 119.600 -0.116 0.000 2.132 365 M HA -0.146 4.346 4.480 0.020 0.000 0.263 365 M C 2.031 178.371 176.300 0.067 0.000 1.065 365 M CA 1.300 56.522 55.300 -0.130 0.000 1.122 365 M CB -0.068 32.329 32.600 -0.339 0.000 1.365 365 M HN 0.203 nan 8.290 nan 0.000 0.411 366 L N -0.857 120.383 121.223 0.029 0.000 2.072 366 L HA -0.058 4.294 4.340 0.020 0.000 0.205 366 L C 2.523 179.412 176.870 0.032 0.000 1.079 366 L CA 1.111 55.975 54.840 0.041 0.000 0.752 366 L CB -1.136 40.941 42.059 0.030 0.000 0.906 366 L HN 0.392 nan 8.230 nan 0.000 0.436 367 G N -0.588 108.224 108.800 0.021 0.000 2.586 367 G HA2 -0.235 3.737 3.960 0.020 0.000 0.215 367 G HA3 -0.235 3.737 3.960 0.020 0.000 0.215 367 G C 1.614 176.529 174.900 0.026 0.000 1.128 367 G CA 0.031 45.133 45.100 0.003 0.000 0.774 367 G HN 0.243 nan 8.290 nan 0.000 0.543 368 R N 0.189 120.727 120.500 0.063 0.000 2.356 368 R HA 0.432 4.784 4.340 0.020 0.000 0.234 368 R C 0.440 176.792 176.300 0.086 0.000 0.929 368 R CA 0.051 56.209 56.100 0.097 0.000 1.084 368 R CB -0.041 30.360 30.300 0.168 0.000 1.105 368 R HN 0.228 nan 8.270 nan 0.000 0.515 369 A N -0.012 122.835 122.820 0.046 0.000 2.305 369 A HA 0.610 4.942 4.320 0.020 0.000 0.322 369 A C -0.184 177.398 177.584 -0.003 0.000 1.187 369 A CA -0.039 52.006 52.037 0.013 0.000 0.825 369 A CB 1.189 20.174 19.000 -0.023 0.000 1.164 369 A HN 0.324 nan 8.150 nan 0.000 0.498 370 G N 1.983 110.795 108.800 0.020 0.000 3.055 370 G HA2 -0.072 3.900 3.960 0.020 0.000 0.654 370 G HA3 -0.072 3.900 3.960 0.020 0.000 0.654 370 G C -0.541 174.403 174.900 0.073 0.000 1.134 370 G CA -0.756 44.376 45.100 0.053 0.000 1.049 370 G HN 0.940 nan 8.290 nan 0.000 0.458 371 R N 3.682 124.259 120.500 0.128 0.000 2.298 371 R HA 0.368 4.720 4.340 0.020 0.000 0.310 371 R C -1.324 175.048 176.300 0.120 0.000 1.068 371 R CA -1.567 54.617 56.100 0.141 0.000 0.957 371 R CB 1.156 31.590 30.300 0.223 0.000 1.003 371 R HN 0.275 nan 8.270 nan 0.000 0.454 372 P HA -0.297 nan 4.420 nan 0.000 0.214 372 P C 0.913 178.188 177.300 -0.041 0.000 1.169 372 P CA 1.416 64.531 63.100 0.025 0.000 0.908 372 P CB 0.227 31.959 31.700 0.053 0.000 0.791 373 K N -1.503 118.812 120.400 -0.141 0.000 2.063 373 K HA -0.188 4.144 4.320 0.020 0.000 0.208 373 K C 1.887 178.167 176.600 -0.534 0.000 1.048 373 K CA 1.656 57.690 56.287 -0.421 0.000 0.928 373 K CB -0.368 31.696 32.500 -0.726 0.000 0.713 373 K HN 0.181 nan 8.250 nan 0.000 0.442 374 Y N 0.385 120.684 120.300 -0.002 0.000 2.479 374 Y HA 0.139 4.701 4.550 0.020 0.000 0.283 374 Y C 0.247 176.142 175.900 -0.008 0.000 1.109 374 Y CA -0.345 57.746 58.100 -0.015 0.000 1.239 374 Y CB 0.392 38.834 38.460 -0.030 0.000 1.108 374 Y HN -0.051 nan 8.280 nan 0.000 0.548 375 D N 0.379 120.873 120.400 0.157 0.000 2.252 375 D HA 0.168 4.820 4.640 0.020 0.000 0.245 375 D C 0.139 176.484 176.300 0.076 0.000 1.009 375 D CA -0.300 53.785 54.000 0.141 0.000 0.870 375 D CB 1.862 42.820 40.800 0.263 0.000 1.251 375 D HN 0.276 nan 8.370 nan 0.000 0.460 376 E N -0.248 119.991 120.200 0.065 0.000 2.452 376 E HA 0.151 4.513 4.350 0.020 0.000 0.197 376 E C -0.084 176.526 176.600 0.016 0.000 1.022 376 E CA 0.072 56.486 56.400 0.023 0.000 0.890 376 E CB 1.508 31.215 29.700 0.012 0.000 0.918 376 E HN 0.080 nan 8.360 nan 0.000 0.496 377 V N 0.259 120.214 119.914 0.069 0.000 2.789 377 V HA 0.575 4.707 4.120 0.020 0.000 0.300 377 V C -0.997 175.147 176.094 0.084 0.000 1.184 377 V CA -0.656 61.665 62.300 0.035 0.000 0.930 377 V CB 1.615 33.438 31.823 -0.000 0.000 1.041 377 V HN 0.093 nan 8.190 nan 0.000 0.430 378 G N 3.963 112.750 108.800 -0.023 0.000 2.389 378 G HA2 0.708 4.680 3.960 0.020 0.000 0.328 378 G HA3 0.708 4.680 3.960 0.020 0.000 0.328 378 G C -0.945 173.831 174.900 -0.206 0.000 1.133 378 G CA -0.461 44.573 45.100 -0.109 0.000 0.891 378 G HN 0.778 nan 8.290 nan 0.000 0.485 379 E N 0.216 120.188 120.200 -0.379 0.000 2.165 379 E HA 0.473 4.834 4.350 0.020 0.000 0.266 379 E C -0.205 176.360 176.600 -0.058 0.000 0.889 379 E CA -0.705 55.592 56.400 -0.173 0.000 0.756 379 E CB 2.052 31.639 29.700 -0.188 0.000 1.131 379 E HN 0.527 nan 8.360 nan 0.000 0.411 380 G N 3.246 112.087 108.800 0.068 0.000 2.415 380 G HA2 0.514 4.486 3.960 0.020 0.000 0.317 380 G HA3 0.514 4.486 3.960 0.020 0.000 0.317 380 G C -0.600 174.330 174.900 0.049 0.000 1.152 380 G CA -0.375 44.749 45.100 0.040 0.000 0.956 380 G HN 0.320 nan 8.290 nan 0.000 0.458 381 I N 2.719 123.279 120.570 -0.016 0.000 2.362 381 I HA 0.340 4.522 4.170 0.020 0.000 0.289 381 I C 0.076 176.144 176.117 -0.082 0.000 0.994 381 I CA -0.536 60.718 61.300 -0.077 0.000 1.158 381 I CB 1.877 39.804 38.000 -0.122 0.000 1.315 381 I HN 0.316 nan 8.210 nan 0.000 0.451 382 I N 6.492 127.012 120.570 -0.083 0.000 2.331 382 I HA 0.295 4.477 4.170 0.020 0.000 0.292 382 I C -0.321 175.781 176.117 -0.025 0.000 0.998 382 I CA -0.730 60.512 61.300 -0.097 0.000 1.267 382 I CB 1.183 39.105 38.000 -0.129 0.000 1.386 382 I HN 0.184 nan 8.210 nan 0.000 0.476 383 V N 5.433 125.318 119.914 -0.048 0.000 2.465 383 V HA 0.269 4.401 4.120 0.020 0.000 0.279 383 V C 0.220 176.377 176.094 0.106 0.000 1.045 383 V CA -0.170 62.157 62.300 0.046 0.000 0.938 383 V CB 1.499 33.219 31.823 -0.172 0.000 0.986 383 V HN 0.761 nan 8.190 nan 0.000 0.467 384 S N 2.328 118.176 115.700 0.246 0.000 2.502 384 S HA 0.576 5.058 4.470 0.020 0.000 0.304 384 S C 0.664 175.482 174.600 0.363 0.000 1.097 384 S CA 0.128 58.500 58.200 0.287 0.000 1.045 384 S CB 1.618 64.985 63.200 0.279 0.000 1.019 384 S HN 1.005 nan 8.310 nan 0.000 0.481 385 T N 0.472 115.184 114.554 0.264 0.000 3.028 385 T HA 0.114 4.476 4.350 0.020 0.000 0.250 385 T C 1.704 176.515 174.700 0.184 0.000 0.979 385 T CA 0.714 62.920 62.100 0.177 0.000 1.004 385 T CB -0.468 68.455 68.868 0.092 0.000 1.120 385 T HN 0.563 nan 8.240 nan 0.000 0.482 386 S N 1.511 117.310 115.700 0.164 0.000 2.452 386 S HA 0.175 4.656 4.470 0.020 0.000 0.225 386 S C 0.227 174.914 174.600 0.145 0.000 1.057 386 S CA -0.058 58.199 58.200 0.095 0.000 0.949 386 S CB -0.650 62.515 63.200 -0.060 0.000 0.836 386 S HN 0.520 nan 8.310 nan 0.000 0.518 387 D N 2.281 122.800 120.400 0.199 0.000 2.361 387 D HA 0.344 4.996 4.640 0.020 0.000 0.239 387 D C -0.473 175.871 176.300 0.073 0.000 1.200 387 D CA 0.008 54.113 54.000 0.175 0.000 0.915 387 D CB 0.174 41.133 40.800 0.265 0.000 1.170 387 D HN 0.377 nan 8.370 nan 0.000 0.444 388 D N -0.313 120.080 120.400 -0.012 0.000 2.312 388 D HA 0.148 4.799 4.640 0.020 0.000 0.252 388 D C -1.838 174.342 176.300 -0.200 0.000 1.150 388 D CA -1.924 51.983 54.000 -0.155 0.000 0.870 388 D CB 1.306 42.050 40.800 -0.094 0.000 1.153 388 D HN -0.021 nan 8.370 nan 0.000 0.457 389 P HA -0.200 nan 4.420 nan 0.000 0.216 389 P C 1.380 178.586 177.300 -0.158 0.000 1.150 389 P CA 2.058 64.972 63.100 -0.310 0.000 0.843 389 P CB 0.119 31.519 31.700 -0.499 0.000 0.787 390 R N 0.480 120.894 120.500 -0.143 0.000 2.073 390 R HA -0.120 4.232 4.340 0.020 0.000 0.229 390 R C 2.196 178.480 176.300 -0.026 0.000 1.120 390 R CA 1.687 57.752 56.100 -0.058 0.000 0.967 390 R CB -2.009 28.268 30.300 -0.038 0.000 0.862 390 R HN 0.227 nan 8.270 nan 0.000 0.436 391 E N 0.797 120.975 120.200 -0.037 0.000 2.047 391 E HA -0.099 4.263 4.350 0.020 0.000 0.191 391 E C 2.121 178.718 176.600 -0.006 0.000 0.987 391 E CA 1.648 58.039 56.400 -0.014 0.000 0.799 391 E CB -0.233 29.456 29.700 -0.019 0.000 0.752 391 E HN 0.304 nan 8.360 nan 0.000 0.449 392 V N 1.552 121.471 119.914 0.010 0.000 2.324 392 V HA -0.301 3.831 4.120 0.020 0.000 0.250 392 V C 2.652 178.793 176.094 0.078 0.000 1.060 392 V CA 2.114 64.472 62.300 0.096 0.000 1.042 392 V CB -0.624 31.275 31.823 0.127 0.000 0.650 392 V HN 0.317 nan 8.190 nan 0.000 0.450 393 M N 0.698 120.267 119.600 -0.051 0.000 2.132 393 M HA -0.128 4.364 4.480 0.020 0.000 0.263 393 M C 1.732 177.830 176.300 -0.338 0.000 1.065 393 M CA 1.987 57.142 55.300 -0.241 0.000 1.122 393 M CB -0.841 31.587 32.600 -0.288 0.000 1.365 393 M HN 0.324 nan 8.290 nan 0.000 0.411 394 N N -1.239 117.406 118.700 -0.093 0.000 2.142 394 N HA -0.175 4.577 4.740 0.020 0.000 0.186 394 N C 1.766 177.292 175.510 0.027 0.000 1.023 394 N CA 1.406 54.499 53.050 0.073 0.000 0.852 394 N CB -0.204 38.359 38.487 0.126 0.000 0.998 394 N HN 0.544 nan 8.380 nan 0.000 0.424 395 H N -0.984 117.982 119.070 -0.174 0.000 2.299 395 H HA -0.042 4.526 4.556 0.020 0.000 0.302 395 H C 1.325 176.431 175.328 -0.369 0.000 1.078 395 H CA 1.959 57.797 56.048 -0.349 0.000 1.323 395 H CB -0.223 29.160 29.762 -0.632 0.000 1.381 395 H HN 0.340 nan 8.280 nan 0.000 0.498 396 Y N -0.841 119.370 120.300 -0.148 0.000 2.205 396 Y HA -0.046 4.514 4.550 0.016 0.000 0.292 396 Y C 2.503 178.408 175.900 0.008 0.000 1.119 396 Y CA 0.337 58.330 58.100 -0.178 0.000 1.117 396 Y CB 0.076 38.468 38.460 -0.113 0.000 1.037 396 Y HN 0.144 nan 8.280 nan 0.000 0.510 397 I N -0.464 120.142 120.570 0.060 0.000 2.162 397 I HA -0.244 3.938 4.170 0.020 0.000 0.238 397 I C 2.028 178.169 176.117 0.041 0.000 1.076 397 I CA 1.793 63.062 61.300 -0.051 0.000 1.353 397 I CB -1.595 36.190 38.000 -0.359 0.000 1.063 397 I HN 0.216 nan 8.210 nan 0.000 0.408 398 F N 0.976 120.966 119.950 0.068 0.000 2.512 398 F HA 0.210 4.749 4.527 0.021 0.000 0.296 398 F C 1.733 177.543 175.800 0.016 0.000 1.110 398 F CA -0.203 57.818 58.000 0.034 0.000 1.446 398 F CB -0.262 38.754 39.000 0.025 0.000 1.092 398 F HN 0.058 nan 8.300 nan 0.000 0.554 399 G N 0.991 109.882 108.800 0.152 0.000 2.420 399 G HA2 0.470 4.441 3.960 0.020 0.000 0.284 399 G HA3 0.470 4.441 3.960 0.020 0.000 0.284 399 G C -0.372 174.553 174.900 0.041 0.000 1.177 399 G CA -0.451 44.677 45.100 0.046 0.000 0.841 399 G HN 0.188 nan 8.290 nan 0.000 0.527 400 K N 1.530 121.945 120.400 0.025 0.000 2.180 400 K HA 0.568 4.900 4.320 0.020 0.000 0.251 400 K C -2.422 174.174 176.600 -0.007 0.000 1.014 400 K CA -1.109 55.201 56.287 0.039 0.000 0.913 400 K CB -0.314 32.198 32.500 0.020 0.000 1.008 400 K HN 0.528 nan 8.250 nan 0.000 0.490 401 P HA 0.221 nan 4.420 nan 0.000 0.274 401 P C -0.741 176.524 177.300 -0.059 0.000 1.231 401 P CA -0.483 62.588 63.100 -0.049 0.000 0.790 401 P CB 0.599 32.309 31.700 0.016 0.000 0.951 402 E N 0.897 121.053 120.200 -0.073 0.000 2.438 402 E HA 0.022 4.384 4.350 0.020 0.000 0.261 402 E C 0.059 176.628 176.600 -0.052 0.000 1.103 402 E CA 0.474 56.853 56.400 -0.034 0.000 0.959 402 E CB 0.163 29.864 29.700 0.003 0.000 0.958 402 E HN 0.244 nan 8.360 nan 0.000 0.447 403 K N 1.045 121.392 120.400 -0.089 0.000 2.144 403 K HA 0.250 4.582 4.320 0.020 0.000 0.270 403 K C -0.695 175.679 176.600 -0.376 0.000 1.005 403 K CA -0.856 55.282 56.287 -0.248 0.000 0.932 403 K CB 0.632 32.909 32.500 -0.373 0.000 1.021 403 K HN 0.155 nan 8.250 nan 0.000 0.462 404 L N 3.125 124.160 121.223 -0.313 0.000 2.331 404 L HA 0.335 4.687 4.340 0.020 0.000 0.278 404 L C -0.699 175.944 176.870 -0.378 0.000 1.106 404 L CA 0.407 55.143 54.840 -0.173 0.000 0.824 404 L CB -0.060 42.017 42.059 0.029 0.000 1.142 404 L HN 0.424 nan 8.230 nan 0.000 0.443 405 F N 0.816 120.807 119.950 0.068 0.000 2.520 405 F HA 0.390 4.929 4.527 0.020 0.000 0.322 405 F C 0.650 176.459 175.800 0.014 0.000 1.103 405 F CA -0.754 57.227 58.000 -0.033 0.000 0.926 405 F CB 1.994 40.949 39.000 -0.075 0.000 1.154 405 F HN 0.397 nan 8.300 nan 0.000 0.453 406 S N 1.547 117.308 115.700 0.102 0.000 2.560 406 S HA 0.060 4.542 4.470 0.020 0.000 0.284 406 S C 0.361 175.059 174.600 0.163 0.000 1.327 406 S CA -0.394 57.892 58.200 0.144 0.000 1.055 406 S CB 0.536 63.766 63.200 0.051 0.000 0.868 406 S HN 0.605 nan 8.310 nan 0.000 0.506 407 Q N 3.775 123.661 119.800 0.142 0.000 2.186 407 Q HA 0.190 4.542 4.340 0.020 0.000 0.241 407 Q C 0.852 176.898 176.000 0.076 0.000 0.849 407 Q CA -0.335 55.531 55.803 0.104 0.000 1.053 407 Q CB 0.261 29.046 28.738 0.078 0.000 1.146 407 Q HN 0.695 nan 8.270 nan 0.000 0.475 408 L N 1.255 122.535 121.223 0.096 0.000 2.265 408 L HA -0.101 4.251 4.340 0.020 0.000 0.215 408 L C 1.579 178.401 176.870 -0.080 0.000 1.117 408 L CA 1.660 56.495 54.840 -0.007 0.000 0.782 408 L CB -0.455 41.565 42.059 -0.065 0.000 0.914 408 L HN 0.115 nan 8.230 nan 0.000 0.441 409 S N -1.447 114.238 115.700 -0.026 0.000 2.653 409 S HA -0.128 4.354 4.470 0.020 0.000 0.233 409 S C 0.943 175.513 174.600 -0.050 0.000 0.970 409 S CA 0.009 58.181 58.200 -0.048 0.000 0.947 409 S CB -1.404 61.833 63.200 0.062 0.000 0.771 409 S HN 0.665 nan 8.310 nan 0.000 0.538 410 N N 1.426 120.098 118.700 -0.046 0.000 2.399 410 N HA 0.029 4.781 4.740 0.020 0.000 0.259 410 N C 0.945 176.402 175.510 -0.088 0.000 1.160 410 N CA -0.127 52.889 53.050 -0.056 0.000 0.946 410 N CB 0.595 39.060 38.487 -0.036 0.000 1.156 410 N HN 0.135 nan 8.380 nan 0.000 0.489 411 E N 2.375 122.511 120.200 -0.107 0.000 2.114 411 E HA -0.265 4.097 4.350 0.020 0.000 0.199 411 E C 1.662 178.166 176.600 -0.160 0.000 1.008 411 E CA 1.675 57.990 56.400 -0.141 0.000 0.810 411 E CB -0.204 29.396 29.700 -0.166 0.000 0.739 411 E HN 0.639 nan 8.360 nan 0.000 0.456 412 S N -0.260 115.350 115.700 -0.149 0.000 2.365 412 S HA -0.201 4.281 4.470 0.020 0.000 0.221 412 S C 1.735 176.259 174.600 -0.127 0.000 1.037 412 S CA 1.728 59.842 58.200 -0.143 0.000 1.060 412 S CB -0.474 62.660 63.200 -0.110 0.000 0.974 412 S HN 0.355 nan 8.310 nan 0.000 0.427 413 N N 1.129 119.770 118.700 -0.099 0.000 2.309 413 N HA -0.002 4.750 4.740 0.020 0.000 0.182 413 N C 1.516 176.964 175.510 -0.104 0.000 1.018 413 N CA 0.671 53.664 53.050 -0.094 0.000 0.876 413 N CB -0.665 37.794 38.487 -0.047 0.000 0.972 413 N HN 0.345 nan 8.380 nan 0.000 0.434 414 L N 1.356 122.516 121.223 -0.105 0.000 2.156 414 L HA 0.047 4.399 4.340 0.020 0.000 0.208 414 L C 2.050 178.847 176.870 -0.122 0.000 1.095 414 L CA 1.322 56.095 54.840 -0.110 0.000 0.770 414 L CB -0.233 41.757 42.059 -0.115 0.000 0.914 414 L HN -0.007 nan 8.230 nan 0.000 0.439 415 R N -1.430 118.987 120.500 -0.138 0.000 2.066 415 R HA -0.110 4.242 4.340 0.020 0.000 0.232 415 R C 2.437 178.651 176.300 -0.144 0.000 1.131 415 R CA 1.383 57.401 56.100 -0.137 0.000 0.955 415 R CB -0.650 29.536 30.300 -0.190 0.000 0.851 415 R HN 0.390 nan 8.270 nan 0.000 0.432 416 S N 0.514 116.113 115.700 -0.168 0.000 2.382 416 S HA -0.193 4.289 4.470 0.020 0.000 0.228 416 S C 1.903 176.399 174.600 -0.174 0.000 1.027 416 S CA 1.398 59.475 58.200 -0.205 0.000 0.991 416 S CB 0.058 63.100 63.200 -0.263 0.000 0.823 416 S HN 0.171 nan 8.310 nan 0.000 0.469 417 Q N 0.211 119.925 119.800 -0.143 0.000 2.269 417 Q HA 0.201 4.553 4.340 0.020 0.000 0.201 417 Q C 1.926 177.827 176.000 -0.166 0.000 0.946 417 Q CA 0.854 56.579 55.803 -0.129 0.000 0.877 417 Q CB -0.218 28.458 28.738 -0.103 0.000 0.963 417 Q HN 0.421 nan 8.270 nan 0.000 0.472 418 V N 0.214 120.040 119.914 -0.148 0.000 2.453 418 V HA -0.173 3.959 4.120 0.020 0.000 0.247 418 V C 1.972 177.997 176.094 -0.115 0.000 1.048 418 V CA 1.326 63.538 62.300 -0.147 0.000 1.049 418 V CB -0.376 31.389 31.823 -0.098 0.000 0.672 418 V HN 0.347 nan 8.190 nan 0.000 0.457 419 L N 0.693 121.854 121.223 -0.103 0.000 2.093 419 L HA 0.016 4.368 4.340 0.020 0.000 0.208 419 L C 2.425 179.267 176.870 -0.046 0.000 1.085 419 L CA 2.232 57.020 54.840 -0.088 0.000 0.755 419 L CB -0.896 41.059 42.059 -0.174 0.000 0.904 419 L HN 0.215 nan 8.230 nan 0.000 0.435 420 A N -0.341 122.457 122.820 -0.035 0.000 1.877 420 A HA -0.190 4.142 4.320 0.020 0.000 0.216 420 A C 2.246 179.965 177.584 0.225 0.000 1.186 420 A CA 1.998 54.086 52.037 0.086 0.000 0.620 420 A CB -0.996 18.093 19.000 0.148 0.000 0.822 420 A HN 0.479 nan 8.150 nan 0.000 0.443 421 L N -0.828 120.421 121.223 0.043 0.000 2.129 421 L HA -0.224 4.128 4.340 0.020 0.000 0.212 421 L C 2.342 179.344 176.870 0.219 0.000 1.087 421 L CA 1.348 56.165 54.840 -0.039 0.000 0.757 421 L CB -0.452 41.190 42.059 -0.695 0.000 0.896 421 L HN 0.429 nan 8.230 nan 0.000 0.434 422 I N -1.134 119.503 120.570 0.111 0.000 2.556 422 I HA -0.068 4.114 4.170 0.020 0.000 0.251 422 I C 2.604 178.775 176.117 0.091 0.000 1.105 422 I CA 0.809 62.186 61.300 0.129 0.000 1.436 422 I CB -0.318 37.721 38.000 0.066 0.000 1.139 422 I HN 0.070 nan 8.210 nan 0.000 0.438 423 A N 0.358 123.207 122.820 0.050 0.000 2.066 423 A HA -0.108 4.224 4.320 0.020 0.000 0.218 423 A C 2.103 179.661 177.584 -0.043 0.000 1.157 423 A CA 2.054 54.096 52.037 0.009 0.000 0.670 423 A CB -0.659 18.338 19.000 -0.005 0.000 0.804 423 A HN 0.509 nan 8.150 nan 0.000 0.453 424 T N -6.370 108.143 114.554 -0.069 0.000 3.009 424 T HA 0.325 4.687 4.350 0.020 0.000 0.267 424 T C 0.522 174.906 174.700 -0.526 0.000 0.942 424 T CA -0.034 61.876 62.100 -0.317 0.000 0.883 424 T CB -0.230 68.344 68.868 -0.492 0.000 1.192 424 T HN 0.148 nan 8.240 nan 0.000 0.524 425 F N 1.974 121.943 119.950 0.032 0.000 2.683 425 F HA 0.597 5.136 4.527 0.020 0.000 0.306 425 F C 1.623 177.482 175.800 0.098 0.000 1.102 425 F CA -0.473 57.576 58.000 0.082 0.000 1.244 425 F CB 0.557 39.670 39.000 0.188 0.000 1.029 425 F HN 0.314 nan 8.300 nan 0.000 0.545 426 G N 0.513 109.419 108.800 0.177 0.000 2.295 426 G HA2 -0.337 3.635 3.960 0.020 0.000 0.287 426 G HA3 -0.337 3.635 3.960 0.020 0.000 0.287 426 G C -0.475 174.446 174.900 0.036 0.000 1.055 426 G CA -0.257 44.889 45.100 0.076 0.000 0.922 426 G HN 0.317 nan 8.290 nan 0.000 0.503 427 Y N 0.177 120.505 120.300 0.048 0.000 2.313 427 Y HA 0.473 5.036 4.550 0.021 0.000 0.332 427 Y C 1.424 177.335 175.900 0.018 0.000 1.071 427 Y CA -0.191 57.928 58.100 0.031 0.000 1.169 427 Y CB 2.002 40.469 38.460 0.012 0.000 1.192 427 Y HN 0.373 nan 8.280 nan 0.000 0.487 428 S N -0.972 114.800 115.700 0.120 0.000 2.787 428 S HA 0.156 4.637 4.470 0.020 0.000 0.255 428 S C 0.221 174.860 174.600 0.064 0.000 1.051 428 S CA 0.113 58.358 58.200 0.074 0.000 1.124 428 S CB 0.015 63.236 63.200 0.034 0.000 1.104 428 S HN 0.626 nan 8.310 nan 0.000 0.623 429 T N -1.304 113.302 114.554 0.087 0.000 2.893 429 T HA 0.624 4.986 4.350 0.020 0.000 0.291 429 T C 0.936 175.693 174.700 0.095 0.000 1.028 429 T CA -0.503 61.639 62.100 0.071 0.000 0.995 429 T CB 1.649 70.552 68.868 0.058 0.000 1.051 429 T HN -0.124 nan 8.240 nan 0.000 0.470 430 V N 2.205 122.160 119.914 0.068 0.000 2.490 430 V HA -0.077 4.055 4.120 0.020 0.000 0.250 430 V C 2.460 178.607 176.094 0.088 0.000 1.061 430 V CA 2.003 64.344 62.300 0.069 0.000 1.064 430 V CB -0.916 30.938 31.823 0.051 0.000 0.670 430 V HN 0.942 nan 8.190 nan 0.000 0.461 431 E N 0.004 120.255 120.200 0.085 0.000 2.204 431 E HA -0.202 4.160 4.350 0.020 0.000 0.195 431 E C 2.141 178.816 176.600 0.126 0.000 0.990 431 E CA 1.212 57.666 56.400 0.090 0.000 0.821 431 E CB -0.134 29.608 29.700 0.070 0.000 0.750 431 E HN 0.680 nan 8.360 nan 0.000 0.477 432 E N 0.058 120.356 120.200 0.164 0.000 2.122 432 E HA -0.010 4.352 4.350 0.020 0.000 0.190 432 E C 1.982 178.823 176.600 0.401 0.000 0.977 432 E CA 0.437 56.994 56.400 0.263 0.000 0.820 432 E CB 0.018 29.865 29.700 0.244 0.000 0.770 432 E HN 0.281 nan 8.360 nan 0.000 0.462 433 I N 1.184 121.916 120.570 0.269 0.000 2.567 433 I HA -0.228 3.954 4.170 0.020 0.000 0.257 433 I C 1.978 178.156 176.117 0.102 0.000 1.184 433 I CA 0.965 62.302 61.300 0.063 0.000 1.451 433 I CB -0.071 37.915 38.000 -0.024 0.000 1.089 433 I HN 0.114 nan 8.210 nan 0.000 0.441 434 L N -0.176 121.123 121.223 0.127 0.000 2.446 434 L HA -0.013 4.339 4.340 0.020 0.000 0.219 434 L C 2.389 179.337 176.870 0.131 0.000 1.116 434 L CA 0.249 55.154 54.840 0.108 0.000 0.844 434 L CB -0.380 41.735 42.059 0.093 0.000 0.970 434 L HN 0.050 nan 8.230 nan 0.000 0.457 435 K N 0.423 120.932 120.400 0.183 0.000 2.062 435 K HA -0.105 4.227 4.320 0.020 0.000 0.205 435 K C 2.009 178.731 176.600 0.203 0.000 1.051 435 K CA 1.287 57.683 56.287 0.182 0.000 0.941 435 K CB -0.266 32.356 32.500 0.204 0.000 0.719 435 K HN 0.117 nan 8.250 nan 0.000 0.440 436 F N 1.821 121.833 119.950 0.105 0.000 2.051 436 F HA -0.190 4.349 4.527 0.019 0.000 0.296 436 F C 1.929 177.727 175.800 -0.002 0.000 1.122 436 F CA 1.281 59.300 58.000 0.033 0.000 1.201 436 F CB -0.287 38.636 39.000 -0.128 0.000 0.978 436 F HN -0.132 nan 8.300 nan 0.000 0.472 437 I N 0.891 121.505 120.570 0.074 0.000 2.315 437 I HA -0.294 3.888 4.170 0.020 0.000 0.251 437 I C 2.643 178.732 176.117 -0.046 0.000 1.125 437 I CA 1.848 63.123 61.300 -0.041 0.000 1.392 437 I CB -1.870 36.135 38.000 0.008 0.000 1.065 437 I HN 0.397 nan 8.210 nan 0.000 0.424 438 S N 0.072 115.779 115.700 0.011 0.000 2.474 438 S HA -0.117 4.365 4.470 0.020 0.000 0.235 438 S C 1.335 175.966 174.600 0.052 0.000 0.997 438 S CA 0.959 59.183 58.200 0.039 0.000 0.949 438 S CB -0.746 62.491 63.200 0.062 0.000 0.766 438 S HN 0.561 nan 8.310 nan 0.000 0.517 439 N N 1.548 120.247 118.700 -0.001 0.000 2.235 439 N HA 0.137 4.889 4.740 0.020 0.000 0.209 439 N C 0.054 175.651 175.510 0.146 0.000 1.122 439 N CA 0.281 53.373 53.050 0.069 0.000 0.845 439 N CB 0.741 39.226 38.487 -0.003 0.000 1.004 439 N HN 0.588 nan 8.380 nan 0.000 0.499 440 T N -2.782 111.768 114.554 -0.006 0.000 2.862 440 T HA 0.142 4.504 4.350 0.020 0.000 0.276 440 T C 0.801 175.339 174.700 -0.269 0.000 0.974 440 T CA -0.666 61.402 62.100 -0.054 0.000 0.966 440 T CB 0.832 69.592 68.868 -0.179 0.000 1.072 440 T HN -0.072 nan 8.240 nan 0.000 0.538 441 F N 0.070 119.379 119.950 -1.068 0.000 2.259 441 F HA 0.050 4.588 4.527 0.018 0.000 0.298 441 F C 2.034 177.549 175.800 -0.475 0.000 1.088 441 F CA 0.172 57.335 58.000 -1.396 0.000 1.358 441 F CB -0.869 37.163 39.000 -1.614 0.000 1.040 441 F HN 0.795 nan 8.300 nan 0.000 0.505 442 Y N 0.628 120.676 120.300 -0.420 0.000 2.070 442 Y HA -0.238 4.323 4.550 0.018 0.000 0.280 442 Y C 2.434 178.160 175.900 -0.290 0.000 1.148 442 Y CA 2.332 60.235 58.100 -0.328 0.000 1.125 442 Y CB -0.724 37.620 38.460 -0.193 0.000 0.975 442 Y HN 0.009 nan 8.280 nan 0.000 0.492 443 A N -1.123 121.744 122.820 0.078 0.000 2.067 443 A HA -0.193 4.139 4.320 0.020 0.000 0.219 443 A C 1.970 179.500 177.584 -0.091 0.000 1.158 443 A CA 1.361 53.406 52.037 0.015 0.000 0.661 443 A CB -1.302 17.734 19.000 0.060 0.000 0.801 443 A HN 0.767 nan 8.150 nan 0.000 0.452 444 Y N 0.494 120.653 120.300 -0.236 0.000 2.184 444 Y HA -0.184 4.378 4.550 0.019 0.000 0.290 444 Y C 2.531 178.279 175.900 -0.253 0.000 1.129 444 Y CA 2.219 60.214 58.100 -0.175 0.000 1.144 444 Y CB -0.286 38.101 38.460 -0.122 0.000 0.995 444 Y HN 0.435 nan 8.280 nan 0.000 0.513 445 Q N 0.148 119.713 119.800 -0.390 0.000 2.119 445 Q HA -0.096 4.256 4.340 0.020 0.000 0.201 445 Q C 0.460 176.241 176.000 -0.364 0.000 0.972 445 Q CA 0.682 56.235 55.803 -0.417 0.000 0.847 445 Q CB -0.094 28.320 28.738 -0.541 0.000 0.903 445 Q HN 0.177 nan 8.270 nan 0.000 0.433 446 R N 1.166 121.431 120.500 -0.392 0.000 2.615 446 R HA 0.145 4.497 4.340 0.020 0.000 0.270 446 R C 1.093 177.230 176.300 -0.272 0.000 1.081 446 R CA -0.005 55.889 56.100 -0.343 0.000 1.154 446 R CB 0.305 30.364 30.300 -0.402 0.000 1.063 446 R HN 0.064 nan 8.270 nan 0.000 0.519 447 K N 0.673 120.928 120.400 -0.241 0.000 2.211 447 K HA -0.022 4.310 4.320 0.020 0.000 0.201 447 K C 0.048 176.497 176.600 -0.252 0.000 1.052 447 K CA 0.907 57.072 56.287 -0.204 0.000 0.973 447 K CB 0.156 32.562 32.500 -0.158 0.000 0.766 447 K HN 0.728 nan 8.250 nan 0.000 0.466 448 D N -1.519 118.676 120.400 -0.342 0.000 2.602 448 D HA 0.070 4.722 4.640 0.020 0.000 0.236 448 D C -0.269 175.775 176.300 -0.426 0.000 1.209 448 D CA -0.733 52.916 54.000 -0.585 0.000 0.831 448 D CB 1.541 41.657 40.800 -1.141 0.000 1.478 448 D HN -0.099 nan 8.370 nan 0.000 0.438 449 T N -2.038 112.292 114.554 -0.374 0.000 3.380 449 T HA 0.193 4.555 4.350 0.020 0.000 0.289 449 T C 0.514 175.239 174.700 0.041 0.000 1.012 449 T CA -0.479 61.625 62.100 0.007 0.000 0.944 449 T CB -1.046 67.905 68.868 0.138 0.000 1.172 449 T HN 0.487 nan 8.240 nan 0.000 0.502 450 Y N 0.706 121.042 120.300 0.061 0.000 2.224 450 Y HA -0.116 4.446 4.550 0.020 0.000 0.289 450 Y C 3.060 178.977 175.900 0.028 0.000 1.146 450 Y CA 0.651 58.771 58.100 0.034 0.000 1.182 450 Y CB -0.206 38.266 38.460 0.020 0.000 0.983 450 Y HN 0.361 nan 8.280 nan 0.000 0.524 451 S N 0.201 116.004 115.700 0.171 0.000 2.383 451 S HA -0.151 4.331 4.470 0.020 0.000 0.227 451 S C 1.924 176.559 174.600 0.057 0.000 1.026 451 S CA 0.847 59.109 58.200 0.104 0.000 0.981 451 S CB -0.445 62.806 63.200 0.085 0.000 0.818 451 S HN 0.293 nan 8.310 nan 0.000 0.472 452 L N 2.026 123.270 121.223 0.035 0.000 2.056 452 L HA -0.004 4.348 4.340 0.020 0.000 0.207 452 L C 2.252 179.086 176.870 -0.060 0.000 1.078 452 L CA 1.944 56.716 54.840 -0.114 0.000 0.749 452 L CB -0.638 41.187 42.059 -0.389 0.000 0.901 452 L HN 0.350 nan 8.230 nan 0.000 0.433 453 E N -0.907 119.302 120.200 0.015 0.000 2.118 453 E HA -0.244 4.118 4.350 0.020 0.000 0.195 453 E C 1.839 178.463 176.600 0.040 0.000 0.992 453 E CA 1.165 57.589 56.400 0.039 0.000 0.804 453 E CB 0.079 29.837 29.700 0.096 0.000 0.741 453 E HN 0.481 nan 8.360 nan 0.000 0.458 454 E N 0.910 121.138 120.200 0.046 0.000 2.047 454 E HA -0.160 4.202 4.350 0.020 0.000 0.191 454 E C 1.971 178.588 176.600 0.029 0.000 0.987 454 E CA 0.836 57.261 56.400 0.041 0.000 0.799 454 E CB -0.200 29.523 29.700 0.038 0.000 0.752 454 E HN 0.244 nan 8.360 nan 0.000 0.449 455 K N 0.460 120.861 120.400 0.002 0.000 2.020 455 K HA -0.138 4.194 4.320 0.020 0.000 0.212 455 K C 2.342 178.939 176.600 -0.005 0.000 1.050 455 K CA 1.285 57.562 56.287 -0.017 0.000 0.929 455 K CB -0.336 32.131 32.500 -0.055 0.000 0.714 455 K HN 0.073 nan 8.250 nan 0.000 0.443 456 I N 0.683 121.243 120.570 -0.016 0.000 2.194 456 I HA -0.354 3.828 4.170 0.020 0.000 0.246 456 I C 2.435 178.577 176.117 0.042 0.000 1.093 456 I CA 1.439 62.735 61.300 -0.007 0.000 1.355 456 I CB -0.219 37.767 38.000 -0.024 0.000 1.046 456 I HN 0.196 nan 8.210 nan 0.000 0.413 457 R N 0.358 120.902 120.500 0.072 0.000 2.092 457 R HA -0.108 4.244 4.340 0.020 0.000 0.231 457 R C 2.084 178.526 176.300 0.237 0.000 1.119 457 R CA 1.264 57.447 56.100 0.139 0.000 0.970 457 R CB -0.396 29.993 30.300 0.148 0.000 0.864 457 R HN 0.473 nan 8.270 nan 0.000 0.440 458 N N 0.779 119.585 118.700 0.176 0.000 2.244 458 N HA -0.092 4.660 4.740 0.020 0.000 0.183 458 N C 1.881 177.524 175.510 0.222 0.000 1.016 458 N CA 1.016 54.188 53.050 0.202 0.000 0.866 458 N CB 0.021 38.563 38.487 0.091 0.000 0.980 458 N HN 0.224 nan 8.380 nan 0.000 0.430 459 I N 1.345 121.997 120.570 0.137 0.000 2.226 459 I HA -0.245 3.937 4.170 0.020 0.000 0.245 459 I C 2.205 178.444 176.117 0.204 0.000 1.100 459 I CA 0.857 62.237 61.300 0.134 0.000 1.374 459 I CB -0.210 37.810 38.000 0.033 0.000 1.057 459 I HN 0.076 nan 8.210 nan 0.000 0.413 460 L N -0.661 120.640 121.223 0.130 0.000 2.046 460 L HA -0.256 4.095 4.340 0.020 0.000 0.208 460 L C 2.575 179.452 176.870 0.012 0.000 1.077 460 L CA 1.661 56.528 54.840 0.045 0.000 0.747 460 L CB -0.681 41.357 42.059 -0.036 0.000 0.896 460 L HN 0.209 nan 8.230 nan 0.000 0.432 461 Y N -1.320 119.048 120.300 0.114 0.000 2.293 461 Y HA -0.292 4.270 4.550 0.019 0.000 0.291 461 Y C 2.344 178.327 175.900 0.138 0.000 1.137 461 Y CA 1.727 59.889 58.100 0.104 0.000 1.202 461 Y CB -0.299 38.215 38.460 0.089 0.000 0.990 461 Y HN 0.108 nan 8.280 nan 0.000 0.537 462 F N -0.157 119.906 119.950 0.188 0.000 2.146 462 F HA -0.162 4.378 4.527 0.023 0.000 0.298 462 F C 1.684 177.599 175.800 0.191 0.000 1.096 462 F CA 1.429 59.531 58.000 0.169 0.000 1.275 462 F CB -0.429 38.661 39.000 0.151 0.000 1.008 462 F HN -0.103 nan 8.300 nan 0.000 0.480 463 L N -0.583 120.736 121.223 0.160 0.000 2.109 463 L HA -0.157 4.195 4.340 0.020 0.000 0.207 463 L C 2.341 179.239 176.870 0.047 0.000 1.086 463 L CA 0.299 55.232 54.840 0.154 0.000 0.760 463 L CB -0.738 41.426 42.059 0.175 0.000 0.910 463 L HN 0.222 nan 8.230 nan 0.000 0.437 464 L N 0.168 121.388 121.223 -0.005 0.000 2.027 464 L HA -0.174 4.178 4.340 0.020 0.000 0.206 464 L C 2.500 179.331 176.870 -0.065 0.000 1.074 464 L CA 1.810 56.616 54.840 -0.056 0.000 0.745 464 L CB -0.724 41.252 42.059 -0.139 0.000 0.898 464 L HN 0.253 nan 8.230 nan 0.000 0.433 465 E N -0.985 119.186 120.200 -0.048 0.000 2.152 465 E HA -0.127 4.235 4.350 0.020 0.000 0.192 465 E C 1.024 177.529 176.600 -0.158 0.000 0.983 465 E CA 0.628 56.994 56.400 -0.057 0.000 0.818 465 E CB -0.067 29.646 29.700 0.020 0.000 0.758 465 E HN 0.461 nan 8.360 nan 0.000 0.467 466 N N 1.072 119.606 118.700 -0.277 0.000 2.362 466 N HA -0.023 4.729 4.740 0.020 0.000 0.204 466 N C -0.490 174.716 175.510 -0.506 0.000 1.166 466 N CA 0.298 53.086 53.050 -0.437 0.000 0.831 466 N CB 0.396 38.475 38.487 -0.679 0.000 1.008 466 N HN 0.204 nan 8.380 nan 0.000 0.472 467 E N -1.432 118.591 120.200 -0.295 0.000 3.370 467 E HA -0.265 4.097 4.350 0.020 0.000 0.291 467 E C 0.298 176.772 176.600 -0.211 0.000 0.916 467 E CA 0.451 56.710 56.400 -0.235 0.000 0.981 467 E CB -1.867 27.691 29.700 -0.236 0.000 1.498 467 E HN 0.440 nan 8.360 nan 0.000 0.452 468 F N 0.137 120.015 119.950 -0.120 0.000 2.234 468 F HA 0.024 4.562 4.527 0.019 0.000 0.299 468 F C 1.726 177.492 175.800 -0.057 0.000 1.087 468 F CA 1.213 59.163 58.000 -0.084 0.000 1.340 468 F CB 0.171 39.123 39.000 -0.081 0.000 1.031 468 F HN 0.107 nan 8.300 nan 0.000 0.500 469 I N -2.505 118.132 120.570 0.111 0.000 3.466 469 I HA 0.579 4.761 4.170 0.020 0.000 0.311 469 I C -1.041 175.077 176.117 0.001 0.000 1.155 469 I CA -1.090 60.240 61.300 0.050 0.000 0.959 469 I CB 2.192 40.219 38.000 0.044 0.000 1.332 469 I HN -0.108 nan 8.210 nan 0.000 0.483 470 E N 1.169 121.364 120.200 -0.007 0.000 2.412 470 E HA 0.461 4.823 4.350 0.020 0.000 0.279 470 E C -1.834 174.753 176.600 -0.022 0.000 0.984 470 E CA -0.878 55.509 56.400 -0.022 0.000 0.788 470 E CB 2.600 32.290 29.700 -0.017 0.000 1.277 470 E HN 0.510 nan 8.360 nan 0.000 0.455 471 I N 3.685 124.238 120.570 -0.029 0.000 2.310 471 I HA 0.114 4.296 4.170 0.020 0.000 0.287 471 I C 0.862 176.970 176.117 -0.014 0.000 1.073 471 I CA -0.264 61.021 61.300 -0.025 0.000 1.216 471 I CB -0.077 37.902 38.000 -0.036 0.000 1.415 471 I HN 0.757 nan 8.210 nan 0.000 0.480 472 S N 6.557 122.253 115.700 -0.007 0.000 2.622 472 S HA 0.016 4.498 4.470 0.020 0.000 0.251 472 S C 0.915 175.514 174.600 -0.002 0.000 1.402 472 S CA -0.057 58.141 58.200 -0.003 0.000 0.972 472 S CB 0.506 63.706 63.200 -0.000 0.000 0.913 472 S HN 0.545 nan 8.310 nan 0.000 0.573 473 L N 0.516 121.738 121.223 -0.001 0.000 2.713 473 L HA 0.216 4.568 4.340 0.020 0.000 0.245 473 L C 1.430 178.301 176.870 0.002 0.000 1.169 473 L CA 0.582 55.422 54.840 0.000 0.000 0.962 473 L CB -0.783 41.276 42.059 0.000 0.000 1.161 473 L HN 0.749 nan 8.230 nan 0.000 0.427 474 E N -0.788 119.413 120.200 0.002 0.000 2.789 474 E HA 0.026 4.387 4.350 0.020 0.000 0.217 474 E C -0.701 175.902 176.600 0.005 0.000 0.970 474 E CA -0.110 56.292 56.400 0.004 0.000 1.201 474 E CB 0.746 30.448 29.700 0.004 0.000 1.069 474 E HN 0.152 nan 8.360 nan 0.000 0.499 475 D N 1.843 122.245 120.400 0.003 0.000 2.737 475 D HA -0.129 4.523 4.640 0.020 0.000 0.243 475 D C -0.777 175.526 176.300 0.005 0.000 1.109 475 D CA 1.162 55.164 54.000 0.004 0.000 0.702 475 D CB -0.649 40.156 40.800 0.007 0.000 1.068 475 D HN 0.110 nan 8.370 nan 0.000 0.432 476 K N -0.162 120.240 120.400 0.004 0.000 2.502 476 K HA 0.537 4.869 4.320 0.020 0.000 0.257 476 K C -0.021 176.582 176.600 0.005 0.000 0.938 476 K CA -0.924 55.368 56.287 0.008 0.000 0.819 476 K CB 1.782 34.288 32.500 0.010 0.000 1.333 476 K HN -0.018 nan 8.250 nan 0.000 0.434 477 I N 3.251 123.828 120.570 0.012 0.000 2.416 477 I HA 0.285 4.467 4.170 0.020 0.000 0.288 477 I C -0.019 176.111 176.117 0.022 0.000 1.051 477 I CA -0.409 60.898 61.300 0.012 0.000 1.375 477 I CB 0.343 38.354 38.000 0.018 0.000 1.407 477 I HN 0.202 nan 8.210 nan 0.000 0.516 478 R N 6.920 127.430 120.500 0.016 0.000 2.574 478 R HA 0.462 4.814 4.340 0.020 0.000 0.288 478 R C -2.712 173.601 176.300 0.022 0.000 1.004 478 R CA -1.999 54.113 56.100 0.020 0.000 0.895 478 R CB 2.021 32.328 30.300 0.012 0.000 1.191 478 R HN 0.328 nan 8.270 nan 0.000 0.444 479 P HA 0.182 nan 4.420 nan 0.000 0.270 479 P C -0.389 176.929 177.300 0.031 0.000 1.223 479 P CA -0.203 62.919 63.100 0.036 0.000 0.785 479 P CB 1.055 32.775 31.700 0.033 0.000 0.923 480 L N 0.380 121.627 121.223 0.041 0.000 2.286 480 L HA 0.258 4.610 4.340 0.020 0.000 0.265 480 L C 2.200 179.091 176.870 0.035 0.000 1.012 480 L CA -0.593 54.263 54.840 0.026 0.000 0.818 480 L CB 1.176 43.239 42.059 0.008 0.000 1.337 480 L HN 0.375 nan 8.230 nan 0.000 0.438 481 S N 0.538 116.251 115.700 0.022 0.000 2.381 481 S HA -0.244 4.238 4.470 0.020 0.000 0.230 481 S C 1.687 176.312 174.600 0.041 0.000 1.052 481 S CA 2.193 60.409 58.200 0.027 0.000 1.068 481 S CB -0.275 62.934 63.200 0.015 0.000 0.918 481 S HN 0.508 nan 8.310 nan 0.000 0.448 482 L N 1.338 122.581 121.223 0.032 0.000 2.131 482 L HA 0.103 4.455 4.340 0.020 0.000 0.210 482 L C 2.247 179.247 176.870 0.216 0.000 1.092 482 L CA 2.131 57.009 54.840 0.064 0.000 0.759 482 L CB -1.291 40.731 42.059 -0.061 0.000 0.903 482 L HN 0.401 nan 8.230 nan 0.000 0.435 483 G N -0.578 108.346 108.800 0.207 0.000 2.404 483 G HA2 -0.155 3.817 3.960 0.020 0.000 0.213 483 G HA3 -0.155 3.817 3.960 0.020 0.000 0.213 483 G C 1.593 176.546 174.900 0.090 0.000 1.189 483 G CA 0.857 46.087 45.100 0.216 0.000 0.796 483 G HN 0.422 nan 8.290 nan 0.000 0.532 484 I N 0.270 120.875 120.570 0.057 0.000 2.127 484 I HA -0.176 4.006 4.170 0.020 0.000 0.241 484 I C 2.828 178.961 176.117 0.026 0.000 1.075 484 I CA 1.312 62.622 61.300 0.017 0.000 1.334 484 I CB -0.266 37.742 38.000 0.014 0.000 1.040 484 I HN 0.047 nan 8.210 nan 0.000 0.405 485 R N 0.903 121.438 120.500 0.058 0.000 2.113 485 R HA -0.183 4.169 4.340 0.020 0.000 0.244 485 R C 2.294 178.647 176.300 0.087 0.000 1.142 485 R CA 2.407 58.552 56.100 0.075 0.000 0.953 485 R CB -1.031 29.313 30.300 0.073 0.000 0.860 485 R HN 0.299 nan 8.270 nan 0.000 0.438 486 T N -0.172 114.441 114.554 0.097 0.000 2.701 486 T HA -0.056 4.306 4.350 0.020 0.000 0.263 486 T C 1.727 176.437 174.700 0.017 0.000 1.040 486 T CA 1.453 63.599 62.100 0.078 0.000 1.147 486 T CB -0.481 68.446 68.868 0.098 0.000 0.865 486 T HN 0.441 nan 8.240 nan 0.000 0.426 487 A N 1.695 124.498 122.820 -0.027 0.000 1.908 487 A HA -0.147 4.185 4.320 0.020 0.000 0.218 487 A C 2.231 179.806 177.584 -0.015 0.000 1.181 487 A CA 1.628 53.635 52.037 -0.049 0.000 0.627 487 A CB -0.435 18.529 19.000 -0.060 0.000 0.818 487 A HN 0.454 nan 8.150 nan 0.000 0.445 488 K N -0.552 119.816 120.400 -0.053 0.000 2.148 488 K HA 0.037 4.369 4.320 0.020 0.000 0.204 488 K C 1.633 178.327 176.600 0.157 0.000 1.050 488 K CA 1.073 57.258 56.287 -0.169 0.000 0.942 488 K CB -0.299 32.095 32.500 -0.176 0.000 0.724 488 K HN 0.459 nan 8.250 nan 0.000 0.446 489 L N -0.456 120.923 121.223 0.260 0.000 2.465 489 L HA -0.105 4.247 4.340 0.020 0.000 0.224 489 L C 0.568 177.837 176.870 0.664 0.000 1.145 489 L CA 0.431 55.547 54.840 0.460 0.000 0.834 489 L CB -0.229 42.023 42.059 0.323 0.000 0.944 489 L HN 0.273 nan 8.230 nan 0.000 0.451 490 Y N -0.155 120.308 120.300 0.271 0.000 4.881 490 Y HA -0.296 4.265 4.550 0.019 0.000 0.241 490 Y C 0.774 176.876 175.900 0.336 0.000 0.985 490 Y CA 0.127 58.338 58.100 0.185 0.000 1.976 490 Y CB -1.618 36.814 38.460 -0.047 0.000 1.528 490 Y HN 0.233 nan 8.280 nan 0.000 0.581 491 I N -1.239 119.535 120.570 0.340 0.000 2.823 491 I HA 0.239 4.421 4.170 0.020 0.000 0.290 491 I C 0.854 176.938 176.117 -0.055 0.000 1.091 491 I CA -0.324 61.066 61.300 0.149 0.000 1.365 491 I CB 0.488 38.436 38.000 -0.086 0.000 1.427 491 I HN 0.092 nan 8.210 nan 0.000 0.583 492 D N 4.700 125.051 120.400 -0.082 0.000 2.425 492 D HA 0.136 4.788 4.640 0.020 0.000 0.247 492 D C -1.726 174.510 176.300 -0.105 0.000 1.147 492 D CA -1.784 52.153 54.000 -0.105 0.000 0.879 492 D CB 1.701 42.474 40.800 -0.044 0.000 1.179 492 D HN 0.334 nan 8.370 nan 0.000 0.456 493 P HA -0.171 nan 4.420 nan 0.000 0.218 493 P C 1.006 178.401 177.300 0.158 0.000 1.146 493 P CA 1.021 63.955 63.100 -0.276 0.000 0.813 493 P CB -0.042 31.440 31.700 -0.363 0.000 0.778 494 Y N 0.165 120.504 120.300 0.064 0.000 2.263 494 Y HA -0.169 4.395 4.550 0.023 0.000 0.292 494 Y C 2.416 178.340 175.900 0.040 0.000 1.130 494 Y CA 2.027 60.220 58.100 0.154 0.000 1.179 494 Y CB -0.918 37.515 38.460 -0.046 0.000 0.998 494 Y HN -0.003 nan 8.280 nan 0.000 0.532 495 T N -1.518 112.967 114.554 -0.116 0.000 2.951 495 T HA -0.039 4.323 4.350 0.020 0.000 0.268 495 T C 1.975 176.236 174.700 -0.731 0.000 1.073 495 T CA 0.999 62.834 62.100 -0.441 0.000 1.134 495 T CB -0.571 68.017 68.868 -0.467 0.000 0.884 495 T HN 0.332 nan 8.240 nan 0.000 0.479 496 A N 1.694 124.315 122.820 -0.331 0.000 1.897 496 A HA 0.073 4.405 4.320 0.020 0.000 0.215 496 A C 2.437 180.032 177.584 0.019 0.000 1.181 496 A CA 1.435 53.409 52.037 -0.104 0.000 0.620 496 A CB -0.679 18.479 19.000 0.264 0.000 0.821 496 A HN 0.468 nan 8.150 nan 0.000 0.443 497 K N -0.374 120.084 120.400 0.096 0.000 2.009 497 K HA -0.140 4.192 4.320 0.020 0.000 0.210 497 K C 2.051 178.599 176.600 -0.087 0.000 1.049 497 K CA 1.915 58.190 56.287 -0.019 0.000 0.929 497 K CB -0.364 32.181 32.500 0.076 0.000 0.714 497 K HN 0.533 nan 8.250 nan 0.000 0.440 498 M N -0.382 119.114 119.600 -0.173 0.000 2.149 498 M HA -0.172 4.320 4.480 0.020 0.000 0.261 498 M C 2.106 178.539 176.300 0.221 0.000 1.064 498 M CA 1.725 57.029 55.300 0.007 0.000 1.102 498 M CB -0.328 32.253 32.600 -0.031 0.000 1.369 498 M HN 0.151 nan 8.290 nan 0.000 0.408 499 F N -0.040 119.894 119.950 -0.027 0.000 2.146 499 F HA -0.224 4.315 4.527 0.020 0.000 0.298 499 F C 2.655 178.396 175.800 -0.099 0.000 1.096 499 F CA 0.721 58.691 58.000 -0.050 0.000 1.275 499 F CB -0.315 38.654 39.000 -0.051 0.000 1.008 499 F HN 0.155 nan 8.300 nan 0.000 0.480 500 K N 0.761 121.211 120.400 0.085 0.000 2.057 500 K HA -0.183 4.149 4.320 0.020 0.000 0.206 500 K C 1.447 177.998 176.600 -0.081 0.000 1.050 500 K CA 1.917 58.172 56.287 -0.053 0.000 0.935 500 K CB -0.149 32.264 32.500 -0.146 0.000 0.715 500 K HN 0.080 nan 8.250 nan 0.000 0.439 501 D N 0.921 121.279 120.400 -0.069 0.000 2.097 501 D HA -0.142 4.510 4.640 0.020 0.000 0.195 501 D C 1.652 177.875 176.300 -0.127 0.000 0.989 501 D CA 1.109 55.054 54.000 -0.091 0.000 0.827 501 D CB -0.015 40.745 40.800 -0.068 0.000 0.966 501 D HN 0.126 nan 8.370 nan 0.000 0.456 502 K N 0.070 120.394 120.400 -0.127 0.000 2.459 502 K HA 0.080 4.412 4.320 0.020 0.000 0.193 502 K C 1.791 178.242 176.600 -0.248 0.000 1.030 502 K CA -0.157 56.007 56.287 -0.205 0.000 1.026 502 K CB -0.112 32.283 32.500 -0.174 0.000 0.809 502 K HN 0.090 nan 8.250 nan 0.000 0.504 503 M N 1.985 121.475 119.600 -0.183 0.000 2.151 503 M HA -0.241 4.250 4.480 0.020 0.000 0.256 503 M C 1.534 177.696 176.300 -0.229 0.000 1.072 503 M CA 1.843 57.020 55.300 -0.206 0.000 1.090 503 M CB -0.377 32.131 32.600 -0.153 0.000 1.294 503 M HN 0.139 nan 8.290 nan 0.000 0.415 504 E N -0.670 119.418 120.200 -0.186 0.000 2.114 504 E HA -0.268 4.094 4.350 0.020 0.000 0.199 504 E C 1.976 178.455 176.600 -0.201 0.000 1.008 504 E CA 1.884 58.186 56.400 -0.163 0.000 0.810 504 E CB -0.331 29.292 29.700 -0.128 0.000 0.739 504 E HN 0.668 nan 8.360 nan 0.000 0.456 505 E N 0.097 120.138 120.200 -0.265 0.000 2.150 505 E HA -0.129 4.232 4.350 0.020 0.000 0.193 505 E C 2.189 178.472 176.600 -0.528 0.000 0.985 505 E CA 0.969 57.177 56.400 -0.319 0.000 0.814 505 E CB 0.172 29.697 29.700 -0.291 0.000 0.752 505 E HN 0.123 nan 8.360 nan 0.000 0.466 506 V N 0.767 120.261 119.914 -0.700 0.000 2.379 506 V HA -0.195 3.937 4.120 0.020 0.000 0.245 506 V C 2.360 178.279 176.094 -0.291 0.000 1.044 506 V CA 1.047 62.940 62.300 -0.679 0.000 1.036 506 V CB -0.418 31.091 31.823 -0.524 0.000 0.664 506 V HN 0.103 nan 8.190 nan 0.000 0.453 507 V N 0.400 120.174 119.914 -0.233 0.000 2.287 507 V HA -0.331 3.800 4.120 0.020 0.000 0.248 507 V C 2.502 178.522 176.094 -0.123 0.000 1.053 507 V CA 2.588 64.800 62.300 -0.148 0.000 1.027 507 V CB -0.678 31.070 31.823 -0.126 0.000 0.646 507 V HN 0.600 nan 8.190 nan 0.000 0.447 508 K N -0.311 120.014 120.400 -0.125 0.000 2.057 508 K HA -0.170 4.162 4.320 0.020 0.000 0.206 508 K C 0.617 177.181 176.600 -0.060 0.000 1.050 508 K CA 1.832 58.069 56.287 -0.083 0.000 0.935 508 K CB 0.066 32.523 32.500 -0.072 0.000 0.715 508 K HN 0.452 nan 8.250 nan 0.000 0.439 509 D N 0.371 120.744 120.400 -0.045 0.000 2.405 509 D HA 0.223 4.875 4.640 0.020 0.000 0.264 509 D C -2.781 173.557 176.300 0.063 0.000 1.240 509 D CA -2.301 51.710 54.000 0.019 0.000 0.893 509 D CB 1.435 42.296 40.800 0.102 0.000 1.198 509 D HN -0.043 nan 8.370 nan 0.000 0.514 510 P HA 0.238 nan 4.420 nan 0.000 0.268 510 P C -0.954 176.293 177.300 -0.088 0.000 1.541 510 P CA -0.332 62.725 63.100 -0.072 0.000 1.093 510 P CB -0.275 31.227 31.700 -0.330 0.000 1.551 511 N N 2.027 120.781 118.700 0.089 0.000 2.328 511 N HA 0.507 5.259 4.740 0.020 0.000 0.299 511 N C -2.341 173.123 175.510 -0.078 0.000 1.179 511 N CA -2.277 50.784 53.050 0.017 0.000 0.793 511 N CB 1.303 39.783 38.487 -0.012 0.000 1.366 511 N HN -0.165 nan 8.380 nan 0.000 0.493 512 P HA -0.123 nan 4.420 nan 0.000 0.212 512 P C 1.088 177.993 177.300 -0.658 0.000 1.178 512 P CA 1.253 64.018 63.100 -0.558 0.000 0.915 512 P CB 0.124 31.649 31.700 -0.292 0.000 0.788 513 I N -0.759 119.608 120.570 -0.338 0.000 2.194 513 I HA -0.245 3.937 4.170 0.020 0.000 0.246 513 I C 2.514 178.499 176.117 -0.220 0.000 1.093 513 I CA 1.995 63.143 61.300 -0.252 0.000 1.355 513 I CB -1.341 36.459 38.000 -0.333 0.000 1.046 513 I HN 0.047 nan 8.210 nan 0.000 0.413 514 G N 1.081 109.681 108.800 -0.334 0.000 2.421 514 G HA2 -0.188 3.784 3.960 0.020 0.000 0.216 514 G HA3 -0.188 3.784 3.960 0.020 0.000 0.216 514 G C 1.684 176.278 174.900 -0.510 0.000 1.171 514 G CA 0.686 45.391 45.100 -0.659 0.000 0.775 514 G HN 0.333 nan 8.290 nan 0.000 0.543 515 I N -0.287 120.130 120.570 -0.254 0.000 2.252 515 I HA -0.077 4.105 4.170 0.020 0.000 0.245 515 I C 2.527 178.657 176.117 0.021 0.000 1.102 515 I CA 0.881 62.163 61.300 -0.031 0.000 1.385 515 I CB -0.306 37.620 38.000 -0.123 0.000 1.064 515 I HN 0.145 nan 8.210 nan 0.000 0.414 516 F N -0.246 119.686 119.950 -0.029 0.000 2.186 516 F HA -0.253 4.286 4.527 0.019 0.000 0.299 516 F C 2.717 178.484 175.800 -0.055 0.000 1.090 516 F CA 1.077 59.047 58.000 -0.050 0.000 1.307 516 F CB -0.508 38.441 39.000 -0.086 0.000 1.019 516 F HN 0.238 nan 8.300 nan 0.000 0.489 517 H N 0.643 119.728 119.070 0.024 0.000 2.357 517 H HA -0.160 4.407 4.556 0.019 0.000 0.301 517 H C 2.262 177.582 175.328 -0.014 0.000 1.082 517 H CA 1.333 57.343 56.048 -0.063 0.000 1.342 517 H CB -0.236 29.465 29.762 -0.101 0.000 1.389 517 H HN 0.274 nan 8.280 nan 0.000 0.511 518 L N 2.328 123.541 121.223 -0.017 0.000 1.970 518 L HA -0.197 4.155 4.340 0.020 0.000 0.212 518 L C 2.680 179.604 176.870 0.089 0.000 1.071 518 L CA 2.127 57.035 54.840 0.113 0.000 0.751 518 L CB -1.100 41.162 42.059 0.337 0.000 0.889 518 L HN 0.509 nan 8.230 nan 0.000 0.432 519 I N -3.502 117.155 120.570 0.144 0.000 2.493 519 I HA -0.142 4.040 4.170 0.020 0.000 0.254 519 I C 1.937 178.062 176.117 0.013 0.000 1.160 519 I CA 1.487 62.879 61.300 0.154 0.000 1.445 519 I CB -0.760 37.343 38.000 0.172 0.000 1.086 519 I HN 0.156 nan 8.210 nan 0.000 0.433 520 S N 1.072 116.740 115.700 -0.054 0.000 2.603 520 S HA 0.111 4.593 4.470 0.020 0.000 0.229 520 S C 1.403 175.897 174.600 -0.178 0.000 0.972 520 S CA 0.488 58.623 58.200 -0.109 0.000 0.935 520 S CB -0.174 62.966 63.200 -0.101 0.000 0.769 520 S HN 0.351 nan 8.310 nan 0.000 0.536 521 L N 1.844 122.928 121.223 -0.232 0.000 2.728 521 L HA 0.253 4.605 4.340 0.020 0.000 0.238 521 L C 0.964 177.733 176.870 -0.168 0.000 1.143 521 L CA 0.353 55.023 54.840 -0.284 0.000 0.937 521 L CB -0.365 41.393 42.059 -0.501 0.000 1.225 521 L HN 0.213 nan 8.230 nan 0.000 0.507 522 T N -4.342 110.154 114.554 -0.097 0.000 2.918 522 T HA 0.370 4.732 4.350 0.020 0.000 0.283 522 T C -1.797 172.890 174.700 -0.022 0.000 1.001 522 T CA -1.673 60.395 62.100 -0.053 0.000 1.041 522 T CB 1.191 70.001 68.868 -0.096 0.000 1.028 522 T HN -0.140 nan 8.240 nan 0.000 0.511 523 P HA 0.122 nan 4.420 nan 0.000 0.239 523 P C 0.370 177.689 177.300 0.031 0.000 1.184 523 P CA 0.488 63.596 63.100 0.013 0.000 0.760 523 P CB 0.096 31.805 31.700 0.016 0.000 0.884 524 D N -1.035 119.381 120.400 0.026 0.000 2.363 524 D HA 0.207 4.859 4.640 0.020 0.000 0.214 524 D C 0.405 176.795 176.300 0.150 0.000 1.093 524 D CA 0.197 54.268 54.000 0.118 0.000 0.837 524 D CB 0.786 41.604 40.800 0.029 0.000 0.948 524 D HN 0.236 nan 8.370 nan 0.000 0.507 525 I N -0.163 120.441 120.570 0.057 0.000 2.722 525 I HA 0.149 4.330 4.170 0.020 0.000 0.295 525 I C -1.064 175.042 176.117 -0.019 0.000 1.161 525 I CA -0.365 60.952 61.300 0.028 0.000 1.032 525 I CB 2.446 40.438 38.000 -0.012 0.000 1.244 525 I HN -0.370 nan 8.210 nan 0.000 0.421 526 T N 7.532 122.058 114.554 -0.048 0.000 2.929 526 T HA 0.394 4.756 4.350 0.020 0.000 0.331 526 T C -2.362 172.251 174.700 -0.146 0.000 1.120 526 T CA -0.982 61.077 62.100 -0.068 0.000 0.973 526 T CB 0.708 69.546 68.868 -0.049 0.000 1.036 526 T HN 0.331 nan 8.240 nan 0.000 0.502 527 P HA 0.075 nan 4.420 nan 0.000 0.273 527 P C -0.292 176.919 177.300 -0.149 0.000 1.248 527 P CA -0.285 62.735 63.100 -0.132 0.000 0.817 527 P CB 0.411 32.088 31.700 -0.038 0.000 0.995 528 F N -0.255 119.688 119.950 -0.010 0.000 2.389 528 F HA 0.207 4.744 4.527 0.017 0.000 0.337 528 F C 1.387 177.234 175.800 0.078 0.000 1.112 528 F CA 0.148 58.159 58.000 0.019 0.000 1.192 528 F CB 0.361 39.366 39.000 0.008 0.000 1.185 528 F HN 0.228 nan 8.300 nan 0.000 0.552 529 N N 0.815 119.677 118.700 0.270 0.000 2.413 529 N HA 0.445 5.197 4.740 0.020 0.000 0.266 529 N C -1.589 174.081 175.510 0.268 0.000 1.238 529 N CA -0.471 52.681 53.050 0.170 0.000 0.972 529 N CB 0.816 39.338 38.487 0.059 0.000 1.210 529 N HN 0.529 nan 8.380 nan 0.000 0.547 530 Y N -2.782 117.581 120.300 0.105 0.000 2.597 530 Y HA 0.618 5.190 4.550 0.038 0.000 0.340 530 Y C -0.892 175.066 175.900 0.097 0.000 1.097 530 Y CA -1.396 56.761 58.100 0.095 0.000 1.037 530 Y CB 0.739 39.252 38.460 0.088 0.000 1.305 530 Y HN 0.459 nan 8.280 nan 0.000 0.463 531 S N 0.855 116.677 115.700 0.203 0.000 2.651 531 S HA 0.389 4.870 4.470 0.020 0.000 0.291 531 S C 0.505 175.244 174.600 0.231 0.000 1.141 531 S CA -0.945 57.329 58.200 0.123 0.000 1.027 531 S CB 1.978 65.236 63.200 0.096 0.000 1.043 531 S HN 0.835 nan 8.310 nan 0.000 0.530 532 K N 0.993 121.488 120.400 0.160 0.000 2.127 532 K HA -0.211 4.121 4.320 0.020 0.000 0.208 532 K C 2.178 178.900 176.600 0.203 0.000 1.047 532 K CA 1.927 58.328 56.287 0.190 0.000 0.927 532 K CB -0.290 32.258 32.500 0.080 0.000 0.716 532 K HN 0.790 nan 8.250 nan 0.000 0.450 533 R N 0.361 120.953 120.500 0.153 0.000 2.316 533 R HA -0.048 4.304 4.340 0.020 0.000 0.202 533 R C 1.051 177.445 176.300 0.157 0.000 1.029 533 R CA 1.054 57.232 56.100 0.130 0.000 1.018 533 R CB -0.067 30.285 30.300 0.086 0.000 0.888 533 R HN 0.260 nan 8.270 nan 0.000 0.471 534 E N 0.112 120.442 120.200 0.217 0.000 2.415 534 E HA 0.014 4.376 4.350 0.020 0.000 0.197 534 E C 1.055 177.748 176.600 0.156 0.000 1.007 534 E CA -0.016 56.493 56.400 0.182 0.000 0.890 534 E CB -0.030 29.791 29.700 0.201 0.000 0.891 534 E HN 0.273 nan 8.360 nan 0.000 0.496 535 F N 2.563 122.557 119.950 0.072 0.000 2.069 535 F HA -0.267 4.267 4.527 0.012 0.000 0.298 535 F C 2.434 178.176 175.800 -0.097 0.000 1.113 535 F CA 1.812 59.772 58.000 -0.068 0.000 1.214 535 F CB 0.191 39.209 39.000 0.029 0.000 0.978 535 F HN -0.027 nan 8.300 nan 0.000 0.474 536 E N 0.031 120.440 120.200 0.348 0.000 2.048 536 E HA -0.368 3.994 4.350 0.020 0.000 0.202 536 E C 2.341 179.042 176.600 0.169 0.000 1.021 536 E CA 1.732 58.273 56.400 0.236 0.000 0.825 536 E CB -0.239 29.550 29.700 0.148 0.000 0.756 536 E HN 0.146 nan 8.360 nan 0.000 0.454 537 R N 0.464 121.045 120.500 0.134 0.000 2.105 537 R HA -0.081 4.271 4.340 0.020 0.000 0.239 537 R C 2.397 178.784 176.300 0.144 0.000 1.135 537 R CA 1.213 57.390 56.100 0.128 0.000 0.967 537 R CB -0.553 29.812 30.300 0.109 0.000 0.861 537 R HN 0.293 nan 8.270 nan 0.000 0.442 538 L N -0.096 121.171 121.223 0.072 0.000 2.083 538 L HA -0.164 4.188 4.340 0.020 0.000 0.209 538 L C 2.418 179.346 176.870 0.096 0.000 1.083 538 L CA 1.847 56.734 54.840 0.078 0.000 0.752 538 L CB -0.464 41.460 42.059 -0.224 0.000 0.899 538 L HN 0.386 nan 8.230 nan 0.000 0.433 539 E N 0.277 120.451 120.200 -0.043 0.000 2.077 539 E HA -0.240 4.122 4.350 0.020 0.000 0.193 539 E C 1.949 178.690 176.600 0.234 0.000 0.989 539 E CA 1.339 57.780 56.400 0.068 0.000 0.800 539 E CB 0.147 29.956 29.700 0.181 0.000 0.746 539 E HN 0.483 nan 8.360 nan 0.000 0.452 540 E N 0.256 120.603 120.200 0.246 0.000 2.028 540 E HA -0.190 4.172 4.350 0.020 0.000 0.191 540 E C 2.170 178.908 176.600 0.230 0.000 0.988 540 E CA 0.997 57.547 56.400 0.249 0.000 0.799 540 E CB -0.074 29.735 29.700 0.182 0.000 0.755 540 E HN 0.232 nan 8.360 nan 0.000 0.447 541 E N 0.543 120.926 120.200 0.305 0.000 2.086 541 E HA -0.241 4.121 4.350 0.020 0.000 0.200 541 E C 1.966 178.895 176.600 0.550 0.000 1.012 541 E CA 1.179 57.879 56.400 0.500 0.000 0.812 541 E CB -0.487 29.617 29.700 0.674 0.000 0.743 541 E HN 0.333 nan 8.360 nan 0.000 0.453 542 Y N 0.799 121.107 120.300 0.014 0.000 2.049 542 Y HA -0.310 4.254 4.550 0.025 0.000 0.277 542 Y C 2.214 177.929 175.900 -0.309 0.000 1.143 542 Y CA 1.806 59.489 58.100 -0.695 0.000 1.115 542 Y CB -1.143 36.862 38.460 -0.758 0.000 0.975 542 Y HN 0.061 nan 8.280 nan 0.000 0.487 543 Y N 0.631 120.710 120.300 -0.367 0.000 2.207 543 Y HA -0.269 4.293 4.550 0.021 0.000 0.287 543 Y C 2.772 178.489 175.900 -0.306 0.000 1.156 543 Y CA 1.673 59.507 58.100 -0.443 0.000 1.182 543 Y CB -0.413 37.929 38.460 -0.198 0.000 0.979 543 Y HN 0.298 nan 8.280 nan 0.000 0.521 544 E N -0.202 119.932 120.200 -0.109 0.000 2.160 544 E HA -0.202 4.160 4.350 0.020 0.000 0.195 544 E C 0.566 176.832 176.600 -0.556 0.000 0.991 544 E CA 1.171 57.357 56.400 -0.357 0.000 0.810 544 E CB -0.134 29.269 29.700 -0.494 0.000 0.742 544 E HN 0.515 nan 8.360 nan 0.000 0.466 545 F N -0.689 119.280 119.950 0.032 0.000 2.683 545 F HA 0.216 4.755 4.527 0.019 0.000 0.306 545 F C 1.625 177.403 175.800 -0.037 0.000 1.102 545 F CA -0.552 57.479 58.000 0.052 0.000 1.244 545 F CB 0.527 39.645 39.000 0.198 0.000 1.029 545 F HN -0.199 nan 8.300 nan 0.000 0.545 546 K N 1.639 121.984 120.400 -0.092 0.000 2.074 546 K HA -0.224 4.107 4.320 0.020 0.000 0.209 546 K C 1.277 177.876 176.600 -0.000 0.000 1.048 546 K CA 2.331 58.515 56.287 -0.173 0.000 0.926 546 K CB -0.400 31.884 32.500 -0.361 0.000 0.713 546 K HN 0.416 nan 8.250 nan 0.000 0.444 547 D N -0.126 120.285 120.400 0.018 0.000 2.265 547 D HA -0.175 4.477 4.640 0.020 0.000 0.208 547 D C 1.364 177.712 176.300 0.080 0.000 0.977 547 D CA 0.959 54.988 54.000 0.048 0.000 0.871 547 D CB -0.177 40.645 40.800 0.035 0.000 0.925 547 D HN 0.095 nan 8.370 nan 0.000 0.485 548 R N -0.063 120.496 120.500 0.098 0.000 2.254 548 R HA 0.298 4.650 4.340 0.020 0.000 0.195 548 R C 0.782 177.043 176.300 -0.066 0.000 0.957 548 R CA -0.189 55.948 56.100 0.062 0.000 1.024 548 R CB -0.353 30.000 30.300 0.089 0.000 0.952 548 R HN 0.302 nan 8.270 nan 0.000 0.484 549 L N 0.683 121.896 121.223 -0.016 0.000 2.436 549 L HA 0.138 4.490 4.340 0.020 0.000 0.265 549 L C 1.204 178.105 176.870 0.051 0.000 1.168 549 L CA -0.150 54.646 54.840 -0.073 0.000 0.815 549 L CB 0.370 42.457 42.059 0.047 0.000 1.109 549 L HN 0.043 nan 8.230 nan 0.000 0.462 550 Y N 0.003 120.418 120.300 0.191 0.000 2.389 550 Y HA 0.110 4.672 4.550 0.020 0.000 0.292 550 Y C 0.781 176.697 175.900 0.028 0.000 1.117 550 Y CA -0.303 57.835 58.100 0.063 0.000 1.195 550 Y CB 0.312 38.778 38.460 0.011 0.000 1.076 550 Y HN 0.302 nan 8.280 nan 0.000 0.548 551 F N 2.388 122.555 119.950 0.361 0.000 2.309 551 F HA 0.110 4.653 4.527 0.025 0.000 0.366 551 F C 0.279 176.344 175.800 0.442 0.000 1.104 551 F CA -1.054 57.159 58.000 0.355 0.000 1.179 551 F CB 0.424 39.633 39.000 0.349 0.000 1.437 551 F HN 0.136 nan 8.300 nan 0.000 0.528 552 D N -0.591 120.063 120.400 0.423 0.000 2.339 552 D HA -0.020 4.631 4.640 0.020 0.000 0.217 552 D C -0.188 176.238 176.300 0.210 0.000 1.050 552 D CA 0.145 54.352 54.000 0.345 0.000 0.856 552 D CB -0.017 40.911 40.800 0.213 0.000 0.922 552 D HN 0.204 nan 8.370 nan 0.000 0.518 553 D N -0.094 120.378 120.400 0.121 0.000 2.462 553 D HA 0.286 4.938 4.640 0.020 0.000 0.245 553 D C -2.039 173.892 176.300 -0.614 0.000 1.122 553 D CA -2.322 51.589 54.000 -0.147 0.000 0.864 553 D CB 2.060 42.889 40.800 0.048 0.000 1.098 553 D HN -0.244 nan 8.370 nan 0.000 0.541 554 P HA -0.016 nan 4.420 nan 0.000 0.231 554 P C -0.306 176.297 177.300 -1.162 0.000 1.158 554 P CA 0.912 62.968 63.100 -1.741 0.000 0.763 554 P CB 0.027 30.599 31.700 -1.881 0.000 0.805 555 Y N -3.341 116.854 120.300 -0.175 0.000 2.738 555 Y HA 0.265 4.824 4.550 0.016 0.000 0.249 555 Y C 1.492 177.344 175.900 -0.080 0.000 1.157 555 Y CA -0.646 57.411 58.100 -0.073 0.000 1.189 555 Y CB -0.400 38.055 38.460 -0.008 0.000 1.262 555 Y HN -0.200 nan 8.280 nan 0.000 0.554 556 I N 0.144 120.744 120.570 0.050 0.000 2.800 556 I HA -0.215 3.967 4.170 0.020 0.000 0.266 556 I C 1.310 177.457 176.117 0.050 0.000 1.249 556 I CA 1.568 62.910 61.300 0.070 0.000 1.458 556 I CB -0.097 37.975 38.000 0.120 0.000 1.093 556 I HN 0.070 nan 8.210 nan 0.000 0.466 557 S N -0.025 115.698 115.700 0.040 0.000 2.540 557 S HA 0.658 5.140 4.470 0.020 0.000 0.222 557 S C 0.584 175.188 174.600 0.007 0.000 1.008 557 S CA 0.180 58.402 58.200 0.037 0.000 0.939 557 S CB 0.430 63.666 63.200 0.060 0.000 0.865 557 S HN 0.740 nan 8.310 nan 0.000 0.499 558 G N 0.467 109.246 108.800 -0.035 0.000 2.334 558 G HA2 0.000 3.972 3.960 0.020 0.000 0.315 558 G HA3 0.000 3.972 3.960 0.020 0.000 0.315 558 G C -0.664 174.231 174.900 -0.008 0.000 1.284 558 G CA -0.898 44.112 45.100 -0.150 0.000 0.985 558 G HN 0.207 nan 8.290 nan 0.000 0.504 559 Y N 0.585 121.004 120.300 0.199 0.000 2.457 559 Y HA 0.228 4.787 4.550 0.015 0.000 0.263 559 Y C 0.909 176.946 175.900 0.227 0.000 1.164 559 Y CA -0.176 58.055 58.100 0.219 0.000 1.274 559 Y CB 0.272 38.768 38.460 0.059 0.000 1.097 559 Y HN 0.438 nan 8.280 nan 0.000 0.523 560 D N 3.422 124.009 120.400 0.312 0.000 2.658 560 D HA -0.113 4.539 4.640 0.020 0.000 0.230 560 D C -1.409 175.072 176.300 0.301 0.000 1.118 560 D CA -0.402 53.753 54.000 0.259 0.000 0.848 560 D CB 0.420 41.355 40.800 0.224 0.000 1.160 560 D HN 0.164 nan 8.370 nan 0.000 0.497 561 P HA -0.236 nan 4.420 nan 0.000 0.222 561 P C 0.907 178.378 177.300 0.286 0.000 1.142 561 P CA 1.158 64.413 63.100 0.259 0.000 0.788 561 P CB 0.069 31.881 31.700 0.187 0.000 0.767 562 Y N -0.150 120.235 120.300 0.142 0.000 2.448 562 Y HA 0.018 4.578 4.550 0.015 0.000 0.289 562 Y C 2.223 178.197 175.900 0.125 0.000 1.114 562 Y CA 0.541 58.710 58.100 0.115 0.000 1.235 562 Y CB -0.309 38.195 38.460 0.074 0.000 1.045 562 Y HN -0.267 nan 8.280 nan 0.000 0.554 563 L N 0.604 121.956 121.223 0.216 0.000 2.068 563 L HA -0.115 4.237 4.340 0.020 0.000 0.204 563 L C 2.315 179.219 176.870 0.057 0.000 1.076 563 L CA 1.880 56.784 54.840 0.107 0.000 0.753 563 L CB -1.188 40.961 42.059 0.150 0.000 0.910 563 L HN 0.376 nan 8.230 nan 0.000 0.439 564 E N -0.001 120.288 120.200 0.147 0.000 2.204 564 E HA -0.277 4.084 4.350 0.020 0.000 0.195 564 E C 2.182 178.990 176.600 0.347 0.000 0.990 564 E CA 0.835 57.334 56.400 0.165 0.000 0.821 564 E CB 0.213 30.173 29.700 0.434 0.000 0.750 564 E HN 0.181 nan 8.360 nan 0.000 0.477 565 R N 1.664 122.319 120.500 0.258 0.000 2.070 565 R HA -0.107 4.245 4.340 0.020 0.000 0.227 565 R C 2.295 178.688 176.300 0.155 0.000 1.147 565 R CA 2.090 58.331 56.100 0.236 0.000 0.924 565 R CB -0.689 29.626 30.300 0.026 0.000 0.827 565 R HN -0.049 nan 8.270 nan 0.000 0.431 566 K N -0.559 119.780 120.400 -0.101 0.000 2.089 566 K HA -0.228 4.104 4.320 0.020 0.000 0.210 566 K C 2.096 178.680 176.600 -0.027 0.000 1.048 566 K CA 2.098 58.304 56.287 -0.136 0.000 0.926 566 K CB -0.462 31.890 32.500 -0.247 0.000 0.714 566 K HN 0.294 nan 8.250 nan 0.000 0.448 567 F N 0.030 119.892 119.950 -0.147 0.000 2.146 567 F HA -0.161 4.375 4.527 0.015 0.000 0.298 567 F C 1.783 177.423 175.800 -0.266 0.000 1.096 567 F CA 1.426 59.286 58.000 -0.234 0.000 1.275 567 F CB -0.196 38.551 39.000 -0.422 0.000 1.008 567 F HN -0.039 nan 8.300 nan 0.000 0.480 568 F N -0.060 119.937 119.950 0.078 0.000 2.512 568 F HA 0.042 4.578 4.527 0.014 0.000 0.296 568 F C 2.384 178.132 175.800 -0.087 0.000 1.110 568 F CA 0.492 58.413 58.000 -0.132 0.000 1.446 568 F CB -0.327 38.393 39.000 -0.467 0.000 1.092 568 F HN -0.239 nan 8.300 nan 0.000 0.554 569 R N 0.154 120.811 120.500 0.261 0.000 2.073 569 R HA -0.125 4.226 4.340 0.020 0.000 0.234 569 R C 2.429 178.785 176.300 0.093 0.000 1.134 569 R CA 1.303 57.560 56.100 0.262 0.000 0.952 569 R CB -0.843 29.567 30.300 0.184 0.000 0.850 569 R HN 0.276 nan 8.270 nan 0.000 0.433 570 A N 0.409 123.214 122.820 -0.025 0.000 1.972 570 A HA -0.185 4.146 4.320 0.020 0.000 0.219 570 A C 1.915 179.516 177.584 0.028 0.000 1.169 570 A CA 1.078 53.056 52.037 -0.098 0.000 0.635 570 A CB -0.535 18.260 19.000 -0.342 0.000 0.810 570 A HN 0.345 nan 8.150 nan 0.000 0.446 571 F N 0.533 120.407 119.950 -0.126 0.000 2.163 571 F HA -0.024 4.513 4.527 0.017 0.000 0.297 571 F C 2.174 177.918 175.800 -0.092 0.000 1.094 571 F CA 1.887 59.796 58.000 -0.150 0.000 1.290 571 F CB -0.135 38.639 39.000 -0.378 0.000 1.017 571 F HN 0.203 nan 8.300 nan 0.000 0.483 572 K N -0.356 119.990 120.400 -0.091 0.000 2.026 572 K HA -0.164 4.168 4.320 0.020 0.000 0.208 572 K C 1.896 178.349 176.600 -0.244 0.000 1.048 572 K CA 2.017 58.202 56.287 -0.170 0.000 0.929 572 K CB -0.494 31.987 32.500 -0.032 0.000 0.713 572 K HN 0.233 nan 8.250 nan 0.000 0.439 573 T N 0.900 115.420 114.554 -0.055 0.000 2.720 573 T HA -0.155 4.207 4.350 0.020 0.000 0.268 573 T C 1.861 176.478 174.700 -0.138 0.000 1.037 573 T CA 1.471 63.606 62.100 0.060 0.000 1.144 573 T CB -0.307 68.628 68.868 0.111 0.000 0.864 573 T HN 0.451 nan 8.240 nan 0.000 0.444 574 A N 0.892 123.598 122.820 -0.190 0.000 1.969 574 A HA 0.091 4.423 4.320 0.020 0.000 0.218 574 A C 2.266 179.683 177.584 -0.279 0.000 1.169 574 A CA 0.961 52.912 52.037 -0.143 0.000 0.635 574 A CB -0.652 18.288 19.000 -0.100 0.000 0.810 574 A HN 0.487 nan 8.150 nan 0.000 0.445 575 L N -0.686 120.219 121.223 -0.530 0.000 2.109 575 L HA -0.106 4.246 4.340 0.020 0.000 0.207 575 L C 2.437 178.854 176.870 -0.755 0.000 1.086 575 L CA 0.723 55.198 54.840 -0.608 0.000 0.760 575 L CB -0.489 41.181 42.059 -0.649 0.000 0.910 575 L HN 0.235 nan 8.230 nan 0.000 0.437 576 V N 0.189 119.614 119.914 -0.815 0.000 2.307 576 V HA -0.262 3.870 4.120 0.020 0.000 0.245 576 V C 2.378 178.275 176.094 -0.327 0.000 1.045 576 V CA 1.488 63.345 62.300 -0.738 0.000 1.024 576 V CB -0.361 31.088 31.823 -0.624 0.000 0.651 576 V HN 0.345 nan 8.190 nan 0.000 0.449 577 L N -0.645 120.385 121.223 -0.321 0.000 2.191 577 L HA -0.164 4.188 4.340 0.020 0.000 0.212 577 L C 2.411 179.181 176.870 -0.166 0.000 1.103 577 L CA 1.012 55.612 54.840 -0.401 0.000 0.769 577 L CB -0.496 40.968 42.059 -0.992 0.000 0.908 577 L HN 0.358 nan 8.230 nan 0.000 0.438 578 L N 0.241 121.454 121.223 -0.016 0.000 2.044 578 L HA -0.070 4.282 4.340 0.020 0.000 0.205 578 L C 2.633 179.560 176.870 0.095 0.000 1.075 578 L CA 1.985 56.915 54.840 0.150 0.000 0.747 578 L CB -0.694 41.381 42.059 0.027 0.000 0.903 578 L HN 0.100 nan 8.230 nan 0.000 0.435 579 A N -0.654 122.196 122.820 0.051 0.000 1.972 579 A HA -0.255 4.077 4.320 0.020 0.000 0.219 579 A C 2.237 179.921 177.584 0.167 0.000 1.169 579 A CA 1.571 53.693 52.037 0.141 0.000 0.635 579 A CB -1.325 17.847 19.000 0.287 0.000 0.810 579 A HN 0.809 nan 8.150 nan 0.000 0.446 580 W N 1.632 122.905 121.300 -0.046 0.000 2.352 580 W HA -0.232 4.442 4.660 0.023 0.000 0.322 580 W C 1.943 178.452 176.519 -0.016 0.000 1.208 580 W CA 2.066 59.384 57.345 -0.045 0.000 1.286 580 W CB -0.355 29.038 29.460 -0.111 0.000 1.167 580 W HN 0.459 nan 8.180 nan 0.000 0.469 581 I N -0.074 120.495 120.570 -0.001 0.000 2.567 581 I HA -0.204 3.978 4.170 0.020 0.000 0.257 581 I C 1.320 177.391 176.117 -0.077 0.000 1.184 581 I CA 1.717 62.960 61.300 -0.094 0.000 1.451 581 I CB -1.028 37.039 38.000 0.112 0.000 1.089 581 I HN -0.095 nan 8.210 nan 0.000 0.441 582 N N 1.606 120.299 118.700 -0.011 0.000 2.449 582 N HA -0.028 4.724 4.740 0.020 0.000 0.191 582 N C 0.009 175.495 175.510 -0.040 0.000 1.161 582 N CA 0.359 53.406 53.050 -0.006 0.000 0.863 582 N CB -0.287 38.225 38.487 0.042 0.000 0.980 582 N HN 0.442 nan 8.380 nan 0.000 0.458 583 E N -1.640 118.495 120.200 -0.107 0.000 2.791 583 E HA -0.179 4.183 4.350 0.020 0.000 0.271 583 E C -0.797 175.774 176.600 -0.049 0.000 1.044 583 E CA 0.082 56.404 56.400 -0.130 0.000 0.814 583 E CB -1.712 27.914 29.700 -0.122 0.000 1.400 583 E HN 0.009 nan 8.360 nan 0.000 0.423 584 V N 1.377 121.301 119.914 0.016 0.000 2.529 584 V HA 0.082 4.214 4.120 0.020 0.000 0.292 584 V C -1.677 174.465 176.094 0.080 0.000 1.028 584 V CA -0.794 61.544 62.300 0.064 0.000 1.074 584 V CB 0.464 32.360 31.823 0.122 0.000 0.958 584 V HN 0.018 nan 8.190 nan 0.000 0.481 585 P HA -0.016 nan 4.420 nan 0.000 0.264 585 P C 0.904 178.275 177.300 0.118 0.000 1.183 585 P CA 0.274 63.417 63.100 0.073 0.000 0.763 585 P CB 0.545 32.275 31.700 0.049 0.000 0.807 586 E N 2.752 123.043 120.200 0.150 0.000 2.097 586 E HA -0.209 4.153 4.350 0.020 0.000 0.196 586 E C 2.038 178.709 176.600 0.119 0.000 1.000 586 E CA 1.767 58.273 56.400 0.177 0.000 0.804 586 E CB -0.659 29.158 29.700 0.196 0.000 0.740 586 E HN 0.671 nan 8.360 nan 0.000 0.454 587 G N 0.261 109.114 108.800 0.088 0.000 2.443 587 G HA2 -0.275 3.697 3.960 0.020 0.000 0.219 587 G HA3 -0.275 3.697 3.960 0.020 0.000 0.219 587 G C 1.389 176.320 174.900 0.051 0.000 1.131 587 G CA 0.758 45.896 45.100 0.065 0.000 0.775 587 G HN 0.343 nan 8.290 nan 0.000 0.547 588 E N -0.201 120.032 120.200 0.054 0.000 2.086 588 E HA 0.042 4.404 4.350 0.020 0.000 0.190 588 E C 2.457 179.076 176.600 0.031 0.000 0.975 588 E CA 0.083 56.502 56.400 0.030 0.000 0.813 588 E CB -0.066 29.653 29.700 0.032 0.000 0.768 588 E HN 0.454 nan 8.360 nan 0.000 0.457 589 I N 0.554 121.182 120.570 0.095 0.000 2.142 589 I HA -0.265 3.917 4.170 0.020 0.000 0.240 589 I C 2.341 178.517 176.117 0.099 0.000 1.078 589 I CA 0.812 62.210 61.300 0.164 0.000 1.343 589 I CB -0.339 37.785 38.000 0.207 0.000 1.046 589 I HN 0.061 nan 8.210 nan 0.000 0.405 590 V N 0.628 120.583 119.914 0.068 0.000 2.380 590 V HA -0.290 3.842 4.120 0.020 0.000 0.251 590 V C 2.554 178.660 176.094 0.021 0.000 1.063 590 V CA 1.836 64.162 62.300 0.043 0.000 1.055 590 V CB -0.626 31.233 31.823 0.061 0.000 0.657 590 V HN 0.437 nan 8.190 nan 0.000 0.455 591 E N 0.089 120.293 120.200 0.007 0.000 2.008 591 E HA -0.196 4.166 4.350 0.020 0.000 0.191 591 E C 2.336 178.898 176.600 -0.063 0.000 0.986 591 E CA 1.383 57.774 56.400 -0.016 0.000 0.807 591 E CB -0.143 29.548 29.700 -0.015 0.000 0.766 591 E HN 0.532 nan 8.360 nan 0.000 0.450 592 K N -0.248 120.068 120.400 -0.141 0.000 2.009 592 K HA -0.158 4.174 4.320 0.020 0.000 0.210 592 K C 1.868 178.266 176.600 -0.337 0.000 1.049 592 K CA 1.489 57.593 56.287 -0.304 0.000 0.929 592 K CB -0.211 31.969 32.500 -0.533 0.000 0.714 592 K HN 0.146 nan 8.250 nan 0.000 0.440 593 Y N 0.938 121.197 120.300 -0.069 0.000 2.471 593 Y HA 0.122 4.683 4.550 0.019 0.000 0.286 593 Y C 0.285 176.109 175.900 -0.128 0.000 1.188 593 Y CA -0.229 57.800 58.100 -0.119 0.000 1.286 593 Y CB 0.364 38.699 38.460 -0.208 0.000 1.072 593 Y HN -0.046 nan 8.280 nan 0.000 0.517 594 S N 0.642 116.354 115.700 0.019 0.000 3.405 594 S HA -0.131 4.351 4.470 0.020 0.000 0.373 594 S C -0.135 174.464 174.600 -0.001 0.000 0.939 594 S CA 0.551 58.762 58.200 0.019 0.000 1.295 594 S CB -2.135 61.091 63.200 0.043 0.000 0.919 594 S HN 0.405 nan 8.310 nan 0.000 0.535 595 V N -2.478 117.411 119.914 -0.042 0.000 3.141 595 V HA 0.826 4.958 4.120 0.020 0.000 0.312 595 V C -0.207 175.921 176.094 0.056 0.000 1.157 595 V CA -1.233 61.027 62.300 -0.067 0.000 1.041 595 V CB 2.101 33.615 31.823 -0.515 0.000 1.071 595 V HN 0.322 nan 8.190 nan 0.000 0.441 596 E N 1.561 121.860 120.200 0.167 0.000 2.207 596 E HA 0.425 4.787 4.350 0.020 0.000 0.270 596 E C -2.199 174.507 176.600 0.178 0.000 0.927 596 E CA -1.894 54.605 56.400 0.166 0.000 0.799 596 E CB 2.351 32.159 29.700 0.180 0.000 1.172 596 E HN 0.487 nan 8.360 nan 0.000 0.404 597 P HA -0.258 nan 4.420 nan 0.000 0.216 597 P C 1.303 178.673 177.300 0.117 0.000 1.167 597 P CA 1.822 64.990 63.100 0.113 0.000 0.914 597 P CB 0.060 31.811 31.700 0.085 0.000 0.793 598 G N -0.732 108.127 108.800 0.099 0.000 2.442 598 G HA2 -0.271 3.700 3.960 0.020 0.000 0.219 598 G HA3 -0.271 3.700 3.960 0.020 0.000 0.219 598 G C 1.284 176.249 174.900 0.108 0.000 1.141 598 G CA 1.111 46.261 45.100 0.083 0.000 0.763 598 G HN 0.211 nan 8.290 nan 0.000 0.554 599 D N 0.589 121.059 120.400 0.116 0.000 2.097 599 D HA -0.048 4.603 4.640 0.020 0.000 0.197 599 D C 2.660 178.955 176.300 -0.008 0.000 0.984 599 D CA 0.459 54.483 54.000 0.039 0.000 0.826 599 D CB -0.151 40.739 40.800 0.151 0.000 0.973 599 D HN 0.375 nan 8.370 nan 0.000 0.460 600 I N 0.269 120.940 120.570 0.168 0.000 2.127 600 I HA -0.322 3.860 4.170 0.020 0.000 0.241 600 I C 2.459 178.458 176.117 -0.195 0.000 1.075 600 I CA 1.120 62.452 61.300 0.054 0.000 1.334 600 I CB -0.499 37.493 38.000 -0.013 0.000 1.040 600 I HN -0.004 nan 8.210 nan 0.000 0.405 601 Y N 1.780 121.966 120.300 -0.189 0.000 2.114 601 Y HA -0.333 4.228 4.550 0.018 0.000 0.282 601 Y C 2.885 178.677 175.900 -0.182 0.000 1.165 601 Y CA 1.978 59.965 58.100 -0.189 0.000 1.148 601 Y CB -0.280 38.125 38.460 -0.092 0.000 0.972 601 Y HN -0.024 nan 8.280 nan 0.000 0.504 602 R N -0.055 120.434 120.500 -0.018 0.000 2.066 602 R HA -0.139 4.213 4.340 0.020 0.000 0.232 602 R C 2.051 178.229 176.300 -0.203 0.000 1.131 602 R CA 1.683 57.739 56.100 -0.075 0.000 0.955 602 R CB -0.288 30.006 30.300 -0.011 0.000 0.851 602 R HN 0.368 nan 8.270 nan 0.000 0.432 603 I N 0.802 121.200 120.570 -0.287 0.000 2.226 603 I HA -0.217 3.965 4.170 0.020 0.000 0.245 603 I C 2.448 178.378 176.117 -0.312 0.000 1.100 603 I CA 1.040 62.141 61.300 -0.332 0.000 1.374 603 I CB -1.009 36.697 38.000 -0.491 0.000 1.057 603 I HN 0.060 nan 8.210 nan 0.000 0.413 604 V N 0.708 120.364 119.914 -0.430 0.000 2.295 604 V HA -0.280 3.852 4.120 0.020 0.000 0.246 604 V C 2.591 178.492 176.094 -0.321 0.000 1.049 604 V CA 1.979 63.980 62.300 -0.498 0.000 1.024 604 V CB -0.599 30.719 31.823 -0.841 0.000 0.648 604 V HN 0.435 nan 8.190 nan 0.000 0.447 605 E N -0.340 119.643 120.200 -0.363 0.000 2.077 605 E HA -0.216 4.146 4.350 0.020 0.000 0.193 605 E C 2.197 178.753 176.600 -0.072 0.000 0.989 605 E CA 1.884 58.120 56.400 -0.273 0.000 0.800 605 E CB -0.058 29.420 29.700 -0.371 0.000 0.746 605 E HN 0.651 nan 8.360 nan 0.000 0.452 606 T N 0.290 114.833 114.554 -0.018 0.000 2.851 606 T HA -0.022 4.340 4.350 0.020 0.000 0.262 606 T C 1.885 176.694 174.700 0.180 0.000 1.043 606 T CA 0.957 63.175 62.100 0.196 0.000 1.140 606 T CB -0.253 68.716 68.868 0.169 0.000 0.872 606 T HN 0.294 nan 8.240 nan 0.000 0.446 607 A N 1.845 124.674 122.820 0.014 0.000 1.917 607 A HA -0.210 4.122 4.320 0.020 0.000 0.219 607 A C 2.289 179.912 177.584 0.066 0.000 1.182 607 A CA 1.837 53.871 52.037 -0.005 0.000 0.633 607 A CB -0.627 18.291 19.000 -0.138 0.000 0.819 607 A HN 0.486 nan 8.150 nan 0.000 0.448 608 E N -1.116 119.121 120.200 0.062 0.000 2.058 608 E HA -0.252 4.110 4.350 0.020 0.000 0.194 608 E C 1.863 178.594 176.600 0.218 0.000 0.997 608 E CA 1.860 58.320 56.400 0.100 0.000 0.801 608 E CB -0.379 29.331 29.700 0.016 0.000 0.746 608 E HN 0.823 nan 8.360 nan 0.000 0.450 609 W N 1.494 122.835 121.300 0.068 0.000 2.374 609 W HA -0.118 4.552 4.660 0.017 0.000 0.288 609 W C 1.810 178.496 176.519 0.278 0.000 1.218 609 W CA 1.133 58.580 57.345 0.169 0.000 1.245 609 W CB -0.495 29.035 29.460 0.116 0.000 1.126 609 W HN 0.032 nan 8.180 nan 0.000 0.545 610 L N -0.324 120.864 121.223 -0.059 0.000 2.095 610 L HA -0.148 4.204 4.340 0.020 0.000 0.204 610 L C 2.347 179.228 176.870 0.019 0.000 1.080 610 L CA 0.937 55.679 54.840 -0.163 0.000 0.759 610 L CB -1.167 40.836 42.059 -0.093 0.000 0.914 610 L HN -0.216 nan 8.230 nan 0.000 0.439 611 V N -0.725 119.233 119.914 0.074 0.000 2.490 611 V HA -0.318 3.814 4.120 0.020 0.000 0.250 611 V C 2.227 178.353 176.094 0.052 0.000 1.061 611 V CA 1.723 64.053 62.300 0.049 0.000 1.064 611 V CB -0.702 31.197 31.823 0.127 0.000 0.670 611 V HN 0.421 nan 8.190 nan 0.000 0.461 612 Y N 1.493 121.804 120.300 0.018 0.000 2.163 612 Y HA -0.205 4.357 4.550 0.019 0.000 0.288 612 Y C 2.692 178.623 175.900 0.052 0.000 1.136 612 Y CA 1.835 59.966 58.100 0.052 0.000 1.147 612 Y CB -0.462 38.073 38.460 0.124 0.000 0.987 612 Y HN 0.201 nan 8.280 nan 0.000 0.509 613 S N 0.892 116.530 115.700 -0.102 0.000 2.423 613 S HA -0.131 4.351 4.470 0.020 0.000 0.231 613 S C 2.072 176.655 174.600 -0.029 0.000 1.014 613 S CA 1.077 59.206 58.200 -0.118 0.000 0.965 613 S CB -0.536 62.651 63.200 -0.021 0.000 0.785 613 S HN 0.538 nan 8.310 nan 0.000 0.495 614 L N 1.569 122.699 121.223 -0.156 0.000 2.056 614 L HA -0.068 4.284 4.340 0.020 0.000 0.207 614 L C 2.426 179.112 176.870 -0.307 0.000 1.078 614 L CA 1.582 56.081 54.840 -0.568 0.000 0.749 614 L CB -0.419 41.114 42.059 -0.877 0.000 0.901 614 L HN 0.294 nan 8.230 nan 0.000 0.433 615 K N -0.269 119.996 120.400 -0.225 0.000 2.026 615 K HA -0.200 4.132 4.320 0.020 0.000 0.208 615 K C 1.825 178.321 176.600 -0.175 0.000 1.048 615 K CA 1.289 57.478 56.287 -0.163 0.000 0.929 615 K CB 0.075 32.518 32.500 -0.096 0.000 0.713 615 K HN 0.271 nan 8.250 nan 0.000 0.439 616 E N 0.712 120.761 120.200 -0.250 0.000 2.204 616 E HA -0.138 4.224 4.350 0.020 0.000 0.194 616 E C 1.971 178.508 176.600 -0.105 0.000 0.989 616 E CA 0.602 56.884 56.400 -0.197 0.000 0.824 616 E CB 0.023 29.545 29.700 -0.296 0.000 0.756 616 E HN 0.343 nan 8.360 nan 0.000 0.477 617 I N 0.738 121.265 120.570 -0.072 0.000 2.406 617 I HA -0.103 4.079 4.170 0.020 0.000 0.249 617 I C 2.317 178.374 176.117 -0.100 0.000 1.122 617 I CA 0.670 61.960 61.300 -0.017 0.000 1.431 617 I CB -1.314 36.769 38.000 0.137 0.000 1.087 617 I HN -0.086 nan 8.210 nan 0.000 0.424 618 A N 0.866 123.594 122.820 -0.152 0.000 1.940 618 A HA -0.243 4.088 4.320 0.020 0.000 0.219 618 A C 2.357 179.754 177.584 -0.313 0.000 1.176 618 A CA 1.685 53.598 52.037 -0.207 0.000 0.631 618 A CB -0.490 18.394 19.000 -0.194 0.000 0.814 618 A HN 0.338 nan 8.150 nan 0.000 0.446 619 K N -0.350 119.876 120.400 -0.290 0.000 2.026 619 K HA -0.106 4.226 4.320 0.020 0.000 0.208 619 K C 1.635 178.020 176.600 -0.358 0.000 1.048 619 K CA 1.678 57.719 56.287 -0.409 0.000 0.929 619 K CB -0.392 32.039 32.500 -0.115 0.000 0.713 619 K HN 0.499 nan 8.250 nan 0.000 0.439 620 V N -0.571 119.241 119.914 -0.170 0.000 3.444 620 V HA -0.006 4.126 4.120 0.020 0.000 0.271 620 V C 1.244 177.262 176.094 -0.126 0.000 1.188 620 V CA 1.120 63.361 62.300 -0.098 0.000 1.168 620 V CB -0.632 31.170 31.823 -0.035 0.000 0.810 620 V HN 0.192 nan 8.190 nan 0.000 0.500 621 L N 0.311 121.414 121.223 -0.200 0.000 2.966 621 L HA 0.583 4.935 4.340 0.020 0.000 0.262 621 L C 1.782 178.528 176.870 -0.208 0.000 1.165 621 L CA 0.566 55.301 54.840 -0.174 0.000 0.978 621 L CB 0.528 42.493 42.059 -0.157 0.000 1.337 621 L HN 0.475 nan 8.230 nan 0.000 0.563 622 G N 0.727 109.307 108.800 -0.367 0.000 2.241 622 G HA2 -0.326 3.646 3.960 0.020 0.000 0.244 622 G HA3 -0.326 3.646 3.960 0.020 0.000 0.244 622 G C 0.756 175.432 174.900 -0.374 0.000 0.998 622 G CA 0.086 44.974 45.100 -0.353 0.000 0.621 622 G HN 0.388 nan 8.290 nan 0.000 0.519 623 A N 0.404 123.021 122.820 -0.339 0.000 2.849 623 A HA 0.516 4.848 4.320 0.020 0.000 0.246 623 A C 1.107 178.584 177.584 -0.178 0.000 1.820 623 A CA 0.928 52.842 52.037 -0.206 0.000 1.512 623 A CB -1.015 17.877 19.000 -0.180 0.000 0.884 623 A HN 0.695 nan 8.150 nan 0.000 0.626 624 Y N 0.508 120.794 120.300 -0.023 0.000 2.483 624 Y HA -0.209 4.354 4.550 0.021 0.000 0.291 624 Y C 2.508 178.407 175.900 -0.002 0.000 1.143 624 Y CA 1.308 59.402 58.100 -0.010 0.000 1.289 624 Y CB 0.155 38.611 38.460 -0.006 0.000 0.983 624 Y HN 0.719 nan 8.280 nan 0.000 0.556 625 E N 1.167 121.438 120.200 0.119 0.000 2.285 625 E HA -0.138 4.224 4.350 0.020 0.000 0.194 625 E C 1.513 178.149 176.600 0.059 0.000 0.997 625 E CA 1.390 57.835 56.400 0.074 0.000 0.845 625 E CB -0.573 29.149 29.700 0.036 0.000 0.782 625 E HN 0.761 nan 8.360 nan 0.000 0.491 626 I N -1.964 118.633 120.570 0.044 0.000 3.860 626 I HA 0.069 4.250 4.170 0.020 0.000 0.319 626 I C 1.911 178.091 176.117 0.104 0.000 1.279 626 I CA -0.152 61.194 61.300 0.075 0.000 1.220 626 I CB 0.089 38.105 38.000 0.026 0.000 1.027 626 I HN -0.238 nan 8.210 nan 0.000 0.428 627 V N 2.370 122.330 119.914 0.076 0.000 2.282 627 V HA -0.277 3.855 4.120 0.020 0.000 0.249 627 V C 2.283 178.429 176.094 0.088 0.000 1.057 627 V CA 2.431 64.775 62.300 0.073 0.000 1.032 627 V CB -0.767 31.125 31.823 0.115 0.000 0.645 627 V HN 0.501 nan 8.190 nan 0.000 0.447 628 D N -1.149 119.316 120.400 0.108 0.000 2.097 628 D HA -0.195 4.456 4.640 0.020 0.000 0.197 628 D C 2.027 178.384 176.300 0.096 0.000 0.984 628 D CA 1.670 55.728 54.000 0.098 0.000 0.826 628 D CB -0.282 40.576 40.800 0.097 0.000 0.973 628 D HN 0.556 nan 8.370 nan 0.000 0.460 629 Y N 1.995 122.307 120.300 0.020 0.000 2.151 629 Y HA -0.201 4.360 4.550 0.019 0.000 0.284 629 Y C 2.263 178.169 175.900 0.010 0.000 1.166 629 Y CA 1.284 59.389 58.100 0.009 0.000 1.163 629 Y CB -0.506 37.949 38.460 -0.007 0.000 0.974 629 Y HN -0.094 nan 8.280 nan 0.000 0.511 630 L N -0.158 121.003 121.223 -0.104 0.000 2.093 630 L HA -0.169 4.183 4.340 0.020 0.000 0.208 630 L C 2.475 179.288 176.870 -0.095 0.000 1.085 630 L CA 1.733 56.483 54.840 -0.150 0.000 0.755 630 L CB -0.579 41.455 42.059 -0.041 0.000 0.904 630 L HN 0.213 nan 8.230 nan 0.000 0.435 631 E N 0.144 120.332 120.200 -0.020 0.000 2.077 631 E HA -0.190 4.172 4.350 0.020 0.000 0.193 631 E C 1.969 178.570 176.600 0.002 0.000 0.989 631 E CA 1.905 58.328 56.400 0.038 0.000 0.800 631 E CB -0.180 29.563 29.700 0.072 0.000 0.746 631 E HN 0.181 nan 8.360 nan 0.000 0.452 632 T N 0.418 114.938 114.554 -0.056 0.000 2.962 632 T HA -0.054 4.308 4.350 0.020 0.000 0.270 632 T C 1.476 176.110 174.700 -0.111 0.000 1.088 632 T CA 0.947 63.008 62.100 -0.065 0.000 1.127 632 T CB -0.204 68.626 68.868 -0.064 0.000 0.883 632 T HN 0.109 nan 8.240 nan 0.000 0.493 633 L N 1.029 122.121 121.223 -0.218 0.000 2.162 633 L HA 0.242 4.594 4.340 0.020 0.000 0.205 633 L C 2.430 179.309 176.870 0.015 0.000 1.086 633 L CA 1.414 56.149 54.840 -0.175 0.000 0.778 633 L CB -0.423 41.423 42.059 -0.354 0.000 0.928 633 L HN 0.016 nan 8.230 nan 0.000 0.446 634 R N -0.900 119.613 120.500 0.022 0.000 2.073 634 R HA -0.132 4.220 4.340 0.020 0.000 0.234 634 R C 1.974 178.318 176.300 0.073 0.000 1.134 634 R CA 2.076 58.225 56.100 0.082 0.000 0.952 634 R CB -0.357 30.011 30.300 0.113 0.000 0.850 634 R HN 0.314 nan 8.270 nan 0.000 0.433 635 V N 1.117 121.078 119.914 0.078 0.000 2.515 635 V HA -0.177 3.954 4.120 0.020 0.000 0.250 635 V C 2.412 178.614 176.094 0.179 0.000 1.058 635 V CA 1.791 64.175 62.300 0.140 0.000 1.064 635 V CB -0.551 31.363 31.823 0.152 0.000 0.675 635 V HN 0.371 nan 8.190 nan 0.000 0.461 636 R N -0.530 120.032 120.500 0.104 0.000 2.090 636 R HA -0.049 4.303 4.340 0.020 0.000 0.228 636 R C 2.250 178.601 176.300 0.085 0.000 1.110 636 R CA 1.013 57.159 56.100 0.077 0.000 0.973 636 R CB -0.362 29.961 30.300 0.038 0.000 0.869 636 R HN 0.388 nan 8.270 nan 0.000 0.440 637 V N 1.536 121.539 119.914 0.149 0.000 2.427 637 V HA -0.247 3.884 4.120 0.020 0.000 0.248 637 V C 2.358 178.617 176.094 0.276 0.000 1.051 637 V CA 1.627 64.064 62.300 0.228 0.000 1.048 637 V CB -0.408 31.508 31.823 0.155 0.000 0.666 637 V HN 0.296 nan 8.190 nan 0.000 0.456 638 K N -0.733 119.691 120.400 0.040 0.000 2.103 638 K HA -0.195 4.136 4.320 0.020 0.000 0.207 638 K C 1.854 178.291 176.600 -0.273 0.000 1.048 638 K CA 2.060 58.217 56.287 -0.218 0.000 0.930 638 K CB -0.133 32.050 32.500 -0.528 0.000 0.716 638 K HN 0.607 nan 8.250 nan 0.000 0.444 639 Y N -1.426 118.916 120.300 0.070 0.000 2.444 639 Y HA 0.275 4.838 4.550 0.021 0.000 0.252 639 Y C 0.941 176.530 175.900 -0.517 0.000 1.091 639 Y CA 0.045 58.102 58.100 -0.071 0.000 1.276 639 Y CB 1.220 39.614 38.460 -0.109 0.000 1.170 639 Y HN 0.192 nan 8.280 nan 0.000 0.517 640 G N 2.090 110.463 108.800 -0.712 0.000 2.326 640 G HA2 -0.253 3.718 3.960 0.020 0.000 0.286 640 G HA3 -0.253 3.718 3.960 0.020 0.000 0.286 640 G C -0.251 174.205 174.900 -0.741 0.000 1.096 640 G CA 0.417 44.524 45.100 -1.654 0.000 1.003 640 G HN 0.507 nan 8.290 nan 0.000 0.503 641 I N -4.049 116.302 120.570 -0.366 0.000 3.074 641 I HA 0.817 4.999 4.170 0.020 0.000 0.310 641 I C 0.158 176.183 176.117 -0.152 0.000 1.153 641 I CA -1.971 59.190 61.300 -0.230 0.000 0.993 641 I CB 1.478 39.373 38.000 -0.174 0.000 1.237 641 I HN 0.027 nan 8.210 nan 0.000 0.443 642 R N 1.307 121.717 120.500 -0.150 0.000 2.577 642 R HA 0.186 4.538 4.340 0.020 0.000 0.269 642 R C 0.913 177.143 176.300 -0.117 0.000 1.084 642 R CA -0.377 55.653 56.100 -0.117 0.000 1.163 642 R CB 0.775 30.998 30.300 -0.129 0.000 1.100 642 R HN 0.801 nan 8.270 nan 0.000 0.547 643 E N 1.683 121.836 120.200 -0.078 0.000 2.114 643 E HA -0.297 4.064 4.350 0.020 0.000 0.199 643 E C 1.542 178.093 176.600 -0.082 0.000 1.008 643 E CA 1.998 58.364 56.400 -0.057 0.000 0.810 643 E CB 0.154 29.842 29.700 -0.020 0.000 0.739 643 E HN 0.630 nan 8.360 nan 0.000 0.456 644 E N 0.567 120.679 120.200 -0.147 0.000 2.204 644 E HA -0.204 4.158 4.350 0.020 0.000 0.195 644 E C 2.050 178.519 176.600 -0.217 0.000 0.990 644 E CA 0.894 57.184 56.400 -0.184 0.000 0.821 644 E CB -0.352 29.134 29.700 -0.357 0.000 0.750 644 E HN 0.422 nan 8.360 nan 0.000 0.477 645 L N 0.755 121.811 121.223 -0.278 0.000 2.552 645 L HA 0.041 4.393 4.340 0.020 0.000 0.227 645 L C 2.483 179.272 176.870 -0.136 0.000 1.146 645 L CA 0.123 54.845 54.840 -0.197 0.000 0.858 645 L CB -0.364 41.562 42.059 -0.221 0.000 0.969 645 L HN 0.084 nan 8.230 nan 0.000 0.451 646 I N 0.899 121.401 120.570 -0.114 0.000 2.151 646 I HA -0.247 3.935 4.170 0.020 0.000 0.243 646 I C -0.235 175.814 176.117 -0.113 0.000 1.080 646 I CA 1.633 62.864 61.300 -0.116 0.000 1.339 646 I CB -1.461 36.512 38.000 -0.044 0.000 1.039 646 I HN 0.255 nan 8.210 nan 0.000 0.409 647 P HA -0.095 nan 4.420 nan 0.000 0.223 647 P C 1.703 178.982 177.300 -0.034 0.000 1.151 647 P CA 1.157 64.249 63.100 -0.014 0.000 0.787 647 P CB 0.045 31.769 31.700 0.040 0.000 0.788 648 L N -2.053 119.140 121.223 -0.051 0.000 2.492 648 L HA 0.003 4.355 4.340 0.020 0.000 0.223 648 L C 1.849 178.615 176.870 -0.173 0.000 1.132 648 L CA 0.515 55.316 54.840 -0.065 0.000 0.850 648 L CB -0.650 41.400 42.059 -0.015 0.000 0.966 648 L HN -0.018 nan 8.230 nan 0.000 0.454 649 M N -0.174 119.252 119.600 -0.290 0.000 2.460 649 M HA -0.147 4.345 4.480 0.020 0.000 0.263 649 M C 2.127 178.217 176.300 -0.350 0.000 1.071 649 M CA 1.197 56.211 55.300 -0.476 0.000 1.096 649 M CB -0.999 30.960 32.600 -1.069 0.000 1.408 649 M HN 0.449 nan 8.290 nan 0.000 0.463 650 Q N 0.177 119.826 119.800 -0.251 0.000 2.378 650 Q HA 0.106 4.457 4.340 0.020 0.000 0.205 650 Q C 0.499 176.206 176.000 -0.488 0.000 0.954 650 Q CA 0.247 55.905 55.803 -0.242 0.000 0.901 650 Q CB -0.250 28.430 28.738 -0.097 0.000 0.981 650 Q HN 0.400 nan 8.270 nan 0.000 0.483 651 L N 2.782 123.750 121.223 -0.424 0.000 2.456 651 L HA 0.222 4.574 4.340 0.020 0.000 0.272 651 L C -2.108 174.516 176.870 -0.411 0.000 1.189 651 L CA -2.034 52.501 54.840 -0.508 0.000 0.846 651 L CB 0.201 42.109 42.059 -0.251 0.000 1.111 651 L HN -0.059 nan 8.230 nan 0.000 0.475 652 P HA 0.115 nan 4.420 nan 0.000 0.271 652 P C 0.038 177.256 177.300 -0.138 0.000 1.216 652 P CA -0.163 62.801 63.100 -0.227 0.000 0.771 652 P CB 0.479 32.085 31.700 -0.157 0.000 0.864 653 L N 0.044 121.213 121.223 -0.089 0.000 4.040 653 L HA -0.179 4.173 4.340 0.020 0.000 0.410 653 L C -0.450 176.382 176.870 -0.063 0.000 1.187 653 L CA 0.160 54.966 54.840 -0.057 0.000 0.956 653 L CB -2.184 39.844 42.059 -0.052 0.000 2.022 653 L HN 0.161 nan 8.230 nan 0.000 0.897 654 V N 0.123 119.988 119.914 -0.082 0.000 2.313 654 V HA 0.726 4.858 4.120 0.020 0.000 0.278 654 V C 1.006 177.062 176.094 -0.063 0.000 1.017 654 V CA 0.282 62.530 62.300 -0.086 0.000 0.823 654 V CB 1.284 33.031 31.823 -0.127 0.000 1.010 654 V HN 0.302 nan 8.190 nan 0.000 0.443 655 G N 3.924 112.706 108.800 -0.029 0.000 2.857 655 G HA2 0.425 4.396 3.960 0.020 0.000 0.217 655 G HA3 0.425 4.396 3.960 0.020 0.000 0.217 655 G C 0.692 175.567 174.900 -0.042 0.000 1.357 655 G CA -0.649 44.454 45.100 0.005 0.000 1.033 655 G HN 0.573 nan 8.290 nan 0.000 0.571 656 R N -0.502 119.966 120.500 -0.053 0.000 2.103 656 R HA -0.076 4.276 4.340 0.020 0.000 0.234 656 R C 2.613 178.867 176.300 -0.077 0.000 1.132 656 R CA 1.377 57.407 56.100 -0.117 0.000 0.925 656 R CB -0.407 29.778 30.300 -0.192 0.000 0.842 656 R HN 0.336 nan 8.270 nan 0.000 0.430 657 R N 0.755 121.229 120.500 -0.043 0.000 2.115 657 R HA -0.155 4.197 4.340 0.020 0.000 0.239 657 R C 2.500 178.787 176.300 -0.021 0.000 1.133 657 R CA 2.003 58.089 56.100 -0.024 0.000 0.935 657 R CB -0.280 30.018 30.300 -0.004 0.000 0.853 657 R HN 0.266 nan 8.270 nan 0.000 0.433 658 R N -0.313 120.172 120.500 -0.025 0.000 2.092 658 R HA -0.057 4.295 4.340 0.020 0.000 0.231 658 R C 2.295 178.582 176.300 -0.022 0.000 1.119 658 R CA 1.180 57.263 56.100 -0.029 0.000 0.970 658 R CB -0.297 29.976 30.300 -0.045 0.000 0.864 658 R HN 0.244 nan 8.270 nan 0.000 0.440 659 A N 1.099 123.897 122.820 -0.036 0.000 1.933 659 A HA -0.210 4.122 4.320 0.020 0.000 0.218 659 A C 2.124 179.726 177.584 0.030 0.000 1.175 659 A CA 1.571 53.593 52.037 -0.025 0.000 0.628 659 A CB -0.336 18.613 19.000 -0.085 0.000 0.814 659 A HN 0.144 nan 8.150 nan 0.000 0.444 660 R N -0.187 120.315 120.500 0.004 0.000 2.073 660 R HA 0.096 4.448 4.340 0.020 0.000 0.229 660 R C 2.181 178.531 176.300 0.085 0.000 1.120 660 R CA 1.652 57.769 56.100 0.028 0.000 0.967 660 R CB -0.670 29.620 30.300 -0.016 0.000 0.862 660 R HN 0.353 nan 8.270 nan 0.000 0.436 661 A N 0.536 123.389 122.820 0.055 0.000 1.933 661 A HA -0.084 4.248 4.320 0.020 0.000 0.218 661 A C 2.154 179.802 177.584 0.106 0.000 1.175 661 A CA 1.358 53.433 52.037 0.063 0.000 0.628 661 A CB -0.555 18.462 19.000 0.028 0.000 0.814 661 A HN 0.355 nan 8.150 nan 0.000 0.444 662 L N -2.658 118.631 121.223 0.111 0.000 2.044 662 L HA -0.139 4.213 4.340 0.020 0.000 0.205 662 L C 2.574 179.600 176.870 0.259 0.000 1.075 662 L CA 1.621 56.566 54.840 0.176 0.000 0.747 662 L CB -0.632 41.485 42.059 0.097 0.000 0.903 662 L HN 0.546 nan 8.230 nan 0.000 0.435 663 Y N 1.175 121.527 120.300 0.087 0.000 2.200 663 Y HA -0.212 4.350 4.550 0.020 0.000 0.290 663 Y C 2.374 178.296 175.900 0.037 0.000 1.137 663 Y CA 1.543 59.676 58.100 0.055 0.000 1.163 663 Y CB 0.022 38.492 38.460 0.015 0.000 0.988 663 Y HN 0.217 nan 8.280 nan 0.000 0.518 664 N N -0.851 117.996 118.700 0.245 0.000 2.512 664 N HA -0.086 4.666 4.740 0.020 0.000 0.183 664 N C 1.281 176.833 175.510 0.070 0.000 1.073 664 N CA 1.168 54.307 53.050 0.149 0.000 0.911 664 N CB -0.054 38.506 38.487 0.123 0.000 0.964 664 N HN 0.151 nan 8.380 nan 0.000 0.447 665 S N -1.346 114.409 115.700 0.091 0.000 2.540 665 S HA 0.331 4.813 4.470 0.020 0.000 0.218 665 S C 1.341 175.881 174.600 -0.101 0.000 0.977 665 S CA 0.376 58.627 58.200 0.085 0.000 0.918 665 S CB 0.614 63.955 63.200 0.236 0.000 0.806 665 S HN 0.548 nan 8.310 nan 0.000 0.496 666 G N 1.168 109.840 108.800 -0.212 0.000 2.253 666 G HA2 -0.198 3.773 3.960 0.020 0.000 0.209 666 G HA3 -0.198 3.773 3.960 0.020 0.000 0.209 666 G C -0.027 174.524 174.900 -0.581 0.000 0.997 666 G CA -0.677 44.146 45.100 -0.462 0.000 0.640 666 G HN 0.438 nan 8.290 nan 0.000 0.496 667 F N 2.450 122.325 119.950 -0.126 0.000 2.515 667 F HA 0.546 5.085 4.527 0.020 0.000 0.353 667 F C 1.669 177.382 175.800 -0.145 0.000 1.213 667 F CA -0.343 57.598 58.000 -0.098 0.000 1.194 667 F CB 0.676 39.654 39.000 -0.037 0.000 1.488 667 F HN 0.003 nan 8.300 nan 0.000 0.619 668 R N 0.198 120.598 120.500 -0.166 0.000 2.254 668 R HA 0.110 4.462 4.340 0.020 0.000 0.195 668 R C 0.536 176.858 176.300 0.036 0.000 0.957 668 R CA 0.455 56.413 56.100 -0.236 0.000 1.024 668 R CB 0.200 30.146 30.300 -0.590 0.000 0.952 668 R HN 0.554 nan 8.270 nan 0.000 0.484 669 S N -0.952 114.775 115.700 0.044 0.000 2.704 669 S HA 0.335 4.817 4.470 0.020 0.000 0.296 669 S C 0.784 175.443 174.600 0.099 0.000 1.138 669 S CA -0.895 57.349 58.200 0.072 0.000 0.875 669 S CB 1.239 64.469 63.200 0.049 0.000 1.151 669 S HN -0.206 nan 8.310 nan 0.000 0.500 670 I N 1.074 121.702 120.570 0.097 0.000 2.439 670 I HA -0.025 4.157 4.170 0.020 0.000 0.251 670 I C 2.535 178.724 176.117 0.120 0.000 1.139 670 I CA 1.304 62.678 61.300 0.123 0.000 1.438 670 I CB -1.368 36.715 38.000 0.139 0.000 1.085 670 I HN 0.916 nan 8.210 nan 0.000 0.427 671 E N 0.974 121.229 120.200 0.090 0.000 2.072 671 E HA -0.244 4.118 4.350 0.020 0.000 0.191 671 E C 1.532 178.189 176.600 0.096 0.000 0.985 671 E CA 1.294 57.738 56.400 0.075 0.000 0.801 671 E CB 0.180 29.908 29.700 0.047 0.000 0.750 671 E HN 0.353 nan 8.360 nan 0.000 0.452 672 D N 0.461 120.924 120.400 0.105 0.000 2.144 672 D HA -0.152 4.499 4.640 0.020 0.000 0.199 672 D C 1.908 178.394 176.300 0.311 0.000 0.984 672 D CA 0.679 54.766 54.000 0.145 0.000 0.834 672 D CB -0.050 40.804 40.800 0.091 0.000 0.955 672 D HN 0.246 nan 8.370 nan 0.000 0.465 673 I N 0.516 121.251 120.570 0.275 0.000 2.252 673 I HA -0.153 4.029 4.170 0.020 0.000 0.245 673 I C 2.287 178.562 176.117 0.263 0.000 1.102 673 I CA 0.799 62.247 61.300 0.247 0.000 1.385 673 I CB -1.005 37.086 38.000 0.150 0.000 1.064 673 I HN -0.102 nan 8.210 nan 0.000 0.414 674 S N 0.833 116.654 115.700 0.201 0.000 2.356 674 S HA -0.204 4.278 4.470 0.020 0.000 0.223 674 S C 1.480 176.139 174.600 0.098 0.000 1.032 674 S CA 1.081 59.365 58.200 0.140 0.000 1.005 674 S CB -0.428 62.821 63.200 0.080 0.000 0.867 674 S HN 0.637 nan 8.310 nan 0.000 0.449 675 Q N 0.722 120.590 119.800 0.113 0.000 2.380 675 Q HA 0.517 4.869 4.340 0.020 0.000 0.254 675 Q C -0.214 175.871 176.000 0.142 0.000 0.927 675 Q CA -0.277 55.579 55.803 0.088 0.000 0.950 675 Q CB -0.255 28.523 28.738 0.066 0.000 1.206 675 Q HN 0.330 nan 8.270 nan 0.000 0.414 676 A N 0.037 122.967 122.820 0.184 0.000 2.475 676 A HA 0.821 5.153 4.320 0.020 0.000 0.301 676 A C -0.603 177.137 177.584 0.259 0.000 1.059 676 A CA -0.568 51.622 52.037 0.256 0.000 0.710 676 A CB 1.379 20.608 19.000 0.381 0.000 1.288 676 A HN 0.568 nan 8.150 nan 0.000 0.408 677 R N 2.517 123.149 120.500 0.221 0.000 2.459 677 R HA 0.690 5.042 4.340 0.020 0.000 0.281 677 R C -1.770 174.698 176.300 0.280 0.000 1.050 677 R CA -1.133 55.093 56.100 0.211 0.000 1.055 677 R CB -0.802 29.570 30.300 0.121 0.000 1.045 677 R HN 0.690 nan 8.270 nan 0.000 0.495 678 P HA -0.200 nan 4.420 nan 0.000 0.218 678 P C 1.319 178.640 177.300 0.035 0.000 1.148 678 P CA 1.857 65.058 63.100 0.169 0.000 0.822 678 P CB 0.100 31.950 31.700 0.250 0.000 0.784 679 E N 1.343 121.584 120.200 0.069 0.000 2.118 679 E HA -0.241 4.121 4.350 0.020 0.000 0.195 679 E C 1.895 178.515 176.600 0.032 0.000 0.992 679 E CA 1.662 58.087 56.400 0.042 0.000 0.804 679 E CB -1.357 28.374 29.700 0.052 0.000 0.741 679 E HN 0.520 nan 8.360 nan 0.000 0.458 680 E N -0.438 119.794 120.200 0.054 0.000 2.028 680 E HA -0.065 4.297 4.350 0.020 0.000 0.191 680 E C 2.228 178.811 176.600 -0.029 0.000 0.988 680 E CA 1.023 57.473 56.400 0.082 0.000 0.799 680 E CB -0.136 29.690 29.700 0.211 0.000 0.755 680 E HN 0.362 nan 8.360 nan 0.000 0.447 681 L N 0.692 121.798 121.223 -0.195 0.000 2.083 681 L HA -0.181 4.171 4.340 0.020 0.000 0.209 681 L C 2.243 179.005 176.870 -0.180 0.000 1.083 681 L CA 1.426 56.067 54.840 -0.331 0.000 0.752 681 L CB -0.479 41.310 42.059 -0.452 0.000 0.899 681 L HN 0.134 nan 8.230 nan 0.000 0.433 682 L N -1.125 120.027 121.223 -0.120 0.000 2.362 682 L HA -0.171 4.181 4.340 0.020 0.000 0.219 682 L C 2.208 179.055 176.870 -0.039 0.000 1.134 682 L CA 0.840 55.634 54.840 -0.076 0.000 0.807 682 L CB -0.444 41.582 42.059 -0.054 0.000 0.927 682 L HN 0.233 nan 8.230 nan 0.000 0.447 683 K N 0.228 120.617 120.400 -0.019 0.000 2.296 683 K HA 0.092 4.424 4.320 0.020 0.000 0.200 683 K C 0.556 177.163 176.600 0.012 0.000 1.048 683 K CA 0.370 56.662 56.287 0.008 0.000 0.966 683 K CB 0.144 32.665 32.500 0.034 0.000 0.754 683 K HN 0.247 nan 8.250 nan 0.000 0.466 684 I N 2.799 123.369 120.570 0.000 0.000 2.436 684 I HA -0.002 4.180 4.170 0.020 0.000 0.289 684 I C 0.572 176.686 176.117 -0.006 0.000 1.083 684 I CA -0.279 61.028 61.300 0.011 0.000 1.372 684 I CB 0.573 38.575 38.000 0.004 0.000 1.408 684 I HN 0.165 nan 8.210 nan 0.000 0.516 685 E N 5.153 125.356 120.200 0.006 0.000 2.498 685 E HA 0.371 4.733 4.350 0.020 0.000 0.252 685 E C 1.097 177.695 176.600 -0.005 0.000 1.025 685 E CA 0.442 56.843 56.400 0.001 0.000 0.938 685 E CB 0.163 29.868 29.700 0.008 0.000 0.947 685 E HN 1.032 nan 8.360 nan 0.000 0.478 686 G N 1.662 110.454 108.800 -0.014 0.000 2.380 686 G HA2 -0.125 3.847 3.960 0.020 0.000 0.197 686 G HA3 -0.125 3.847 3.960 0.020 0.000 0.197 686 G C 0.137 175.016 174.900 -0.035 0.000 1.001 686 G CA -0.102 44.986 45.100 -0.018 0.000 0.668 686 G HN 0.764 nan 8.290 nan 0.000 0.483 687 I N 2.912 123.452 120.570 -0.051 0.000 2.306 687 I HA 0.620 4.802 4.170 0.020 0.000 0.288 687 I C 1.053 177.126 176.117 -0.074 0.000 1.036 687 I CA 0.046 61.298 61.300 -0.079 0.000 1.221 687 I CB 1.246 39.173 38.000 -0.121 0.000 1.385 687 I HN 0.248 nan 8.210 nan 0.000 0.472 688 G N 4.172 112.933 108.800 -0.065 0.000 2.531 688 G HA2 0.440 4.411 3.960 0.020 0.000 0.313 688 G HA3 0.440 4.411 3.960 0.020 0.000 0.313 688 G C 0.973 175.832 174.900 -0.067 0.000 1.238 688 G CA -0.595 44.472 45.100 -0.054 0.000 0.994 688 G HN 0.328 nan 8.290 nan 0.000 0.493 689 V N 0.238 120.121 119.914 -0.051 0.000 2.324 689 V HA -0.208 3.923 4.120 0.020 0.000 0.250 689 V C 2.846 178.908 176.094 -0.054 0.000 1.060 689 V CA 2.365 64.635 62.300 -0.051 0.000 1.042 689 V CB -0.513 31.293 31.823 -0.028 0.000 0.650 689 V HN 0.801 nan 8.190 nan 0.000 0.450 690 K N -0.301 120.074 120.400 -0.042 0.000 2.147 690 K HA -0.183 4.149 4.320 0.020 0.000 0.205 690 K C 2.119 178.688 176.600 -0.052 0.000 1.049 690 K CA 1.882 58.149 56.287 -0.035 0.000 0.936 690 K CB -0.192 32.294 32.500 -0.023 0.000 0.722 690 K HN 0.607 nan 8.250 nan 0.000 0.446 691 T N 0.368 114.878 114.554 -0.073 0.000 2.737 691 T HA -0.094 4.268 4.350 0.020 0.000 0.265 691 T C 1.903 176.514 174.700 -0.149 0.000 1.038 691 T CA 1.227 63.269 62.100 -0.098 0.000 1.144 691 T CB -0.211 68.595 68.868 -0.103 0.000 0.866 691 T HN -0.027 nan 8.240 nan 0.000 0.434 692 V N 1.898 121.695 119.914 -0.195 0.000 2.407 692 V HA -0.150 3.981 4.120 0.020 0.000 0.248 692 V C 3.150 179.082 176.094 -0.270 0.000 1.055 692 V CA 2.329 64.424 62.300 -0.341 0.000 1.049 692 V CB -1.309 30.308 31.823 -0.343 0.000 0.662 692 V HN 0.737 nan 8.190 nan 0.000 0.455 693 E N 0.142 120.275 120.200 -0.111 0.000 2.051 693 E HA -0.197 4.164 4.350 0.020 0.000 0.192 693 E C 2.247 178.858 176.600 0.020 0.000 0.991 693 E CA 1.711 58.104 56.400 -0.012 0.000 0.799 693 E CB -0.929 28.773 29.700 0.005 0.000 0.748 693 E HN 0.694 nan 8.360 nan 0.000 0.449 694 A N 0.213 123.028 122.820 -0.008 0.000 1.972 694 A HA 0.052 4.384 4.320 0.020 0.000 0.219 694 A C 2.482 180.101 177.584 0.058 0.000 1.169 694 A CA 1.444 53.495 52.037 0.024 0.000 0.635 694 A CB -0.364 18.630 19.000 -0.010 0.000 0.810 694 A HN 0.514 nan 8.150 nan 0.000 0.446 695 I N -1.822 118.736 120.570 -0.019 0.000 2.193 695 I HA -0.204 3.978 4.170 0.020 0.000 0.240 695 I C 2.316 178.551 176.117 0.197 0.000 1.084 695 I CA 1.353 62.662 61.300 0.015 0.000 1.365 695 I CB -0.420 37.478 38.000 -0.171 0.000 1.064 695 I HN 0.364 nan 8.210 nan 0.000 0.410 696 F N 1.069 121.052 119.950 0.056 0.000 2.216 696 F HA -0.233 4.306 4.527 0.020 0.000 0.300 696 F C 2.684 178.515 175.800 0.051 0.000 1.085 696 F CA 0.771 58.797 58.000 0.044 0.000 1.326 696 F CB -0.136 38.872 39.000 0.014 0.000 1.027 696 F HN 0.036 nan 8.300 nan 0.000 0.497 697 K N 0.532 121.084 120.400 0.253 0.000 2.097 697 K HA -0.252 4.080 4.320 0.020 0.000 0.206 697 K C 2.038 178.736 176.600 0.162 0.000 1.049 697 K CA 1.492 57.877 56.287 0.164 0.000 0.933 697 K CB -0.403 32.176 32.500 0.131 0.000 0.717 697 K HN 0.239 nan 8.250 nan 0.000 0.442 698 F N 1.449 121.440 119.950 0.068 0.000 2.234 698 F HA -0.037 4.503 4.527 0.020 0.000 0.299 698 F C 1.357 177.190 175.800 0.056 0.000 1.087 698 F CA 1.019 59.047 58.000 0.047 0.000 1.340 698 F CB 0.085 39.103 39.000 0.031 0.000 1.031 698 F HN -0.049 nan 8.300 nan 0.000 0.500 699 L N 0.478 121.739 121.223 0.063 0.000 2.645 699 L HA 0.272 4.623 4.340 0.020 0.000 0.235 699 L C 0.918 177.741 176.870 -0.077 0.000 1.150 699 L CA 0.274 55.095 54.840 -0.032 0.000 0.911 699 L CB -1.342 40.813 42.059 0.160 0.000 1.077 699 L HN 0.416 nan 8.230 nan 0.000 0.438 700 G N 0.000 108.750 108.800 -0.083 0.000 5.446 700 G HA2 0.000 3.972 3.960 0.020 0.000 0.244 700 G HA3 0.000 3.972 3.960 0.020 0.000 0.244 700 G CA 0.000 45.057 45.100 -0.071 0.000 0.502 700 G HN 0.000 nan 8.290 nan 0.000 0.925