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 3du7_1_A DATA FIRST_RESID 2 DATA SEQUENCE RECISIHVGQ AGVQIGNACW ELYCLEHGIQ PDGQMPXXXX XXXXXXSFNT DATA SEQUENCE FFSETGAGKH VPRAVFVDLE PTVIDEVRTG TYRQLFHPEQ LISGKEDAAN DATA SEQUENCE NYARGHYTIG KEIIDLVLDR VRKLADQCTG LQGFLVFHSF GGGTGSGFTS DATA SEQUENCE LLMERLSVDY GKKSKLEFSI YPAPQVSTAV VEPYNSILTT HTTLEHSDCA DATA SEQUENCE FMVDNEAIYD ICRRNLDIER PTYTNLNRLM SQIVSSITAS LRFDGALNVD DATA SEQUENCE LTEFQTNLVP YPRIHFPLAT YAPVISAEKA YHEQLSVAEI TNACFEPANQ DATA SEQUENCE MVKCDPRHGK YMACCLLYRG DVVPKDVNAA IATIKTKRTI QFVDWCPTGF DATA SEQUENCE KVGINYQPPT VVPGGDLAKV QRAVCMLSNT TAVAEAWARL DHKFDLMYAK DATA SEQUENCE RAFVHWYVGE GMEEGEFSEA REDMAALEKD YEEVGADS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.260 176.300 -0.066 0.000 0.893 2 R CA 0.000 56.072 56.100 -0.046 0.000 0.921 2 R CB 0.000 30.273 30.300 -0.045 0.000 0.687 3 E N -0.605 119.528 120.200 -0.111 0.000 2.408 3 E HA 0.483 4.833 4.350 -0.000 0.000 0.275 3 E C -1.598 174.860 176.600 -0.236 0.000 0.935 3 E CA -0.501 55.811 56.400 -0.147 0.000 0.775 3 E CB 3.112 32.751 29.700 -0.102 0.000 1.277 3 E HN 0.116 nan 8.360 nan 0.000 0.455 4 C N 2.021 121.131 119.300 -0.317 0.000 2.481 4 C HA 0.606 5.066 4.460 -0.000 0.000 0.324 4 C C -1.019 173.787 174.990 -0.307 0.000 1.170 4 C CA -0.368 58.388 59.018 -0.435 0.000 1.361 4 C CB 0.059 27.302 27.740 -0.829 0.000 1.977 4 C HN 0.688 nan 8.230 nan 0.000 0.459 5 I N 3.362 123.872 120.570 -0.101 0.000 2.412 5 I HA 0.363 4.533 4.170 -0.000 0.000 0.296 5 I C 0.219 176.426 176.117 0.149 0.000 0.987 5 I CA 0.545 61.901 61.300 0.094 0.000 1.180 5 I CB 1.872 40.052 38.000 0.300 0.000 1.340 5 I HN 0.561 nan 8.210 nan 0.000 0.455 6 S N 6.841 122.642 115.700 0.169 0.000 2.448 6 S HA 0.530 5.000 4.470 -0.000 0.000 0.320 6 S C -0.187 174.304 174.600 -0.182 0.000 1.071 6 S CA -0.468 57.791 58.200 0.098 0.000 1.113 6 S CB 0.281 63.692 63.200 0.351 0.000 0.972 6 S HN 0.297 nan 8.310 nan 0.000 0.465 7 I N 4.395 124.837 120.570 -0.213 0.000 2.297 7 I HA 0.227 4.397 4.170 -0.000 0.000 0.291 7 I C -0.437 175.445 176.117 -0.391 0.000 1.033 7 I CA -0.430 60.723 61.300 -0.243 0.000 1.253 7 I CB 0.537 38.441 38.000 -0.160 0.000 1.396 7 I HN 0.608 nan 8.210 nan 0.000 0.476 8 H N 4.801 123.733 119.070 -0.230 0.000 2.519 8 H HA 0.484 5.040 4.556 -0.000 0.000 0.316 8 H C -0.430 174.861 175.328 -0.062 0.000 1.065 8 H CA -0.483 55.414 56.048 -0.251 0.000 1.264 8 H CB 1.986 31.315 29.762 -0.722 0.000 1.413 8 H HN 0.331 nan 8.280 nan 0.000 0.465 9 V N 3.355 123.375 119.914 0.177 0.000 2.638 9 V HA 0.825 4.945 4.120 -0.000 0.000 0.306 9 V C -0.048 176.162 176.094 0.193 0.000 1.052 9 V CA 0.385 62.801 62.300 0.194 0.000 0.885 9 V CB 1.085 33.079 31.823 0.286 0.000 0.999 9 V HN 1.148 nan 8.190 nan 0.000 0.424 10 G N 4.545 113.425 108.800 0.134 0.000 2.777 10 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 10 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 10 G C 0.103 175.054 174.900 0.084 0.000 1.177 10 G CA 0.668 45.839 45.100 0.119 0.000 0.775 10 G HN 1.799 nan 8.290 nan 0.000 0.613 11 Q N 1.266 121.095 119.800 0.048 0.000 2.082 11 Q HA -0.156 4.184 4.340 -0.000 0.000 0.211 11 Q C 2.825 178.812 176.000 -0.022 0.000 1.002 11 Q CA 4.025 59.830 55.803 0.003 0.000 0.868 11 Q CB -0.371 28.351 28.738 -0.026 0.000 0.931 11 Q HN 1.934 nan 8.270 nan 0.000 0.414 12 A N 0.378 123.192 122.820 -0.011 0.000 1.828 12 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 12 A C 2.440 180.047 177.584 0.038 0.000 1.203 12 A CA 1.869 53.898 52.037 -0.013 0.000 0.614 12 A CB -1.899 17.120 19.000 0.032 0.000 0.844 12 A HN 0.667 nan 8.150 nan 0.000 0.445 13 G N -0.580 108.284 108.800 0.106 0.000 2.679 13 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.222 13 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.222 13 G C 1.580 176.500 174.900 0.033 0.000 1.164 13 G CA 1.759 46.959 45.100 0.166 0.000 0.769 13 G HN 0.416 nan 8.290 nan 0.000 0.610 14 V N 0.242 120.155 119.914 -0.001 0.000 2.287 14 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 14 V C 2.908 178.958 176.094 -0.075 0.000 1.053 14 V CA 2.650 64.910 62.300 -0.066 0.000 1.027 14 V CB -0.444 31.445 31.823 0.110 0.000 0.646 14 V HN 0.483 nan 8.190 nan 0.000 0.447 15 Q N -1.158 118.622 119.800 -0.034 0.000 2.167 15 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 15 Q C 2.062 178.036 176.000 -0.043 0.000 0.970 15 Q CA 1.534 57.320 55.803 -0.028 0.000 0.855 15 Q CB -0.127 28.581 28.738 -0.049 0.000 0.911 15 Q HN 0.615 nan 8.270 nan 0.000 0.438 16 I N -0.421 120.118 120.570 -0.051 0.000 2.252 16 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 16 I C 2.109 178.104 176.117 -0.203 0.000 1.102 16 I CA 1.265 62.541 61.300 -0.042 0.000 1.385 16 I CB -0.503 37.547 38.000 0.085 0.000 1.064 16 I HN 0.264 nan 8.210 nan 0.000 0.414 17 G N 0.364 108.894 108.800 -0.450 0.000 2.511 17 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.216 17 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.216 17 G C 1.513 176.237 174.900 -0.293 0.000 1.218 17 G CA 1.186 45.720 45.100 -0.944 0.000 0.788 17 G HN 0.334 nan 8.290 nan 0.000 0.560 18 N N 1.456 120.136 118.700 -0.034 0.000 2.094 18 N HA -0.093 4.647 4.740 -0.000 0.000 0.191 18 N C 2.143 177.676 175.510 0.038 0.000 1.023 18 N CA 1.816 54.946 53.050 0.133 0.000 0.857 18 N CB -0.477 38.084 38.487 0.124 0.000 1.013 18 N HN 0.269 nan 8.380 nan 0.000 0.426 19 A N -0.875 121.943 122.820 -0.004 0.000 2.218 19 A HA 0.065 4.385 4.320 -0.000 0.000 0.209 19 A C 2.571 180.125 177.584 -0.050 0.000 1.168 19 A CA 0.890 52.932 52.037 0.009 0.000 0.804 19 A CB -0.724 18.293 19.000 0.028 0.000 0.834 19 A HN 0.651 nan 8.150 nan 0.000 0.482 20 C N -3.024 116.182 119.300 -0.156 0.000 2.520 20 C HA 0.133 4.593 4.460 -0.000 0.000 0.291 20 C C 2.047 176.738 174.990 -0.497 0.000 1.364 20 C CA 0.467 59.313 59.018 -0.287 0.000 1.781 20 C CB -1.609 25.932 27.740 -0.333 0.000 2.171 20 C HN 0.673 nan 8.230 nan 0.000 0.516 21 W N 2.737 123.663 121.300 -0.623 0.000 2.359 21 W HA -0.117 4.543 4.660 -0.000 0.000 0.275 21 W C 2.547 178.904 176.519 -0.270 0.000 1.217 21 W CA 2.169 59.162 57.345 -0.586 0.000 1.196 21 W CB -0.167 29.133 29.460 -0.267 0.000 1.129 21 W HN 0.660 nan 8.180 nan 0.000 0.566 22 E N -0.077 120.091 120.200 -0.054 0.000 2.107 22 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 22 E C 1.969 178.647 176.600 0.129 0.000 0.982 22 E CA 1.214 57.597 56.400 -0.028 0.000 0.809 22 E CB -0.967 28.790 29.700 0.095 0.000 0.756 22 E HN 0.336 nan 8.360 nan 0.000 0.459 23 L N 0.005 121.286 121.223 0.097 0.000 2.275 23 L HA -0.068 4.272 4.340 -0.000 0.000 0.215 23 L C 1.986 179.037 176.870 0.301 0.000 1.119 23 L CA 0.919 55.856 54.840 0.162 0.000 0.790 23 L CB -0.160 41.961 42.059 0.104 0.000 0.919 23 L HN 0.234 nan 8.230 nan 0.000 0.443 24 Y N -1.960 118.379 120.300 0.066 0.000 2.089 24 Y HA -0.354 4.196 4.550 -0.000 0.000 0.282 24 Y C 2.730 178.821 175.900 0.319 0.000 1.139 24 Y CA 1.073 59.253 58.100 0.134 0.000 1.123 24 Y CB -0.451 38.013 38.460 0.005 0.000 0.980 24 Y HN 0.255 nan 8.280 nan 0.000 0.493 25 C N -0.298 119.292 119.300 0.484 0.000 2.425 25 C HA -0.176 4.284 4.460 -0.000 0.000 0.277 25 C C 2.445 177.601 174.990 0.277 0.000 1.280 25 C CA 0.507 59.745 59.018 0.366 0.000 1.744 25 C CB -1.232 26.698 27.740 0.316 0.000 1.989 25 C HN 0.443 nan 8.230 nan 0.000 0.491 26 L N 0.461 121.834 121.223 0.250 0.000 2.551 26 L HA 0.001 4.341 4.340 -0.000 0.000 0.228 26 L C 2.143 179.109 176.870 0.160 0.000 1.153 26 L CA 1.496 56.449 54.840 0.189 0.000 0.851 26 L CB -0.742 41.418 42.059 0.168 0.000 0.959 26 L HN 0.396 nan 8.230 nan 0.000 0.451 27 E N -2.178 118.135 120.200 0.188 0.000 2.244 27 E HA 0.036 4.386 4.350 -0.000 0.000 0.196 27 E C 1.473 178.095 176.600 0.038 0.000 0.939 27 E CA 0.123 56.595 56.400 0.119 0.000 0.884 27 E CB 0.257 30.063 29.700 0.176 0.000 0.850 27 E HN 0.497 nan 8.360 nan 0.000 0.481 28 H N -0.981 118.180 119.070 0.152 0.000 2.551 28 H HA 0.236 4.792 4.556 -0.000 0.000 0.271 28 H C 0.381 175.744 175.328 0.059 0.000 0.984 28 H CA 0.651 56.747 56.048 0.081 0.000 1.164 28 H CB 1.127 30.837 29.762 -0.087 0.000 1.437 28 H HN 0.247 nan 8.280 nan 0.000 0.550 29 G N 2.039 110.945 108.800 0.177 0.000 2.417 29 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.291 29 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.291 29 G C -0.232 174.746 174.900 0.131 0.000 1.094 29 G CA -0.150 45.031 45.100 0.135 0.000 1.146 29 G HN 0.335 nan 8.290 nan 0.000 0.519 30 I N 0.851 121.513 120.570 0.152 0.000 2.328 30 I HA 0.575 4.745 4.170 -0.000 0.000 0.287 30 I C 0.944 177.166 176.117 0.175 0.000 1.012 30 I CA -0.427 60.962 61.300 0.149 0.000 1.195 30 I CB 1.280 39.373 38.000 0.154 0.000 1.350 30 I HN 0.575 nan 8.210 nan 0.000 0.464 31 Q N 8.240 128.118 119.800 0.130 0.000 2.300 31 Q HA 0.139 4.479 4.340 -0.000 0.000 0.280 31 Q C -2.087 174.012 176.000 0.164 0.000 1.033 31 Q CA -1.048 54.829 55.803 0.124 0.000 0.903 31 Q CB -0.727 28.052 28.738 0.069 0.000 1.195 31 Q HN 0.460 nan 8.270 nan 0.000 0.386 32 P HA -0.383 nan 4.420 nan 0.000 0.214 32 P C 1.321 178.712 177.300 0.151 0.000 1.099 32 P CA 2.939 66.190 63.100 0.251 0.000 0.976 32 P CB -0.501 31.265 31.700 0.110 0.000 0.774 33 D N -1.688 118.758 120.400 0.076 0.000 2.893 33 D HA -0.272 4.368 4.640 -0.000 0.000 0.426 33 D C 1.730 178.072 176.300 0.069 0.000 1.026 33 D CA 3.543 57.571 54.000 0.047 0.000 1.274 33 D CB -1.523 39.291 40.800 0.023 0.000 1.089 33 D HN 0.524 nan 8.370 nan 0.000 0.470 34 G N -3.504 105.334 108.800 0.065 0.000 4.316 34 G HA2 0.492 4.452 3.960 -0.000 0.000 0.196 34 G HA3 0.492 4.452 3.960 -0.000 0.000 0.196 34 G C 0.979 175.875 174.900 -0.006 0.000 1.059 34 G CA 1.085 46.225 45.100 0.067 0.000 0.917 34 G HN 1.554 nan 8.290 nan 0.000 0.309 35 Q N -0.110 119.643 119.800 -0.078 0.000 2.330 35 Q HA 0.681 5.021 4.340 -0.000 0.000 0.279 35 Q C 0.410 176.365 176.000 -0.076 0.000 1.024 35 Q CA 0.851 56.553 55.803 -0.169 0.000 0.900 35 Q CB -0.201 28.460 28.738 -0.127 0.000 1.221 35 Q HN 1.999 nan 8.270 nan 0.000 0.396 36 M N 2.574 122.125 119.600 -0.082 0.000 2.741 36 M HA 0.538 5.018 4.480 -0.000 0.000 0.283 36 M C -1.818 174.495 176.300 0.022 0.000 1.176 36 M CA -1.818 53.502 55.300 0.033 0.000 1.139 36 M CB -0.559 32.120 32.600 0.132 0.000 1.234 36 M HN 0.818 nan 8.290 nan 0.000 0.497 49 F N 1.798 121.756 119.950 0.013 0.000 2.569 49 F HA 0.427 4.954 4.527 -0.000 0.000 0.295 49 F C 2.178 177.890 175.800 -0.147 0.000 1.115 49 F CA 1.383 59.316 58.000 -0.113 0.000 1.450 49 F CB -1.556 37.394 39.000 -0.083 0.000 1.107 49 F HN 0.679 nan 8.300 nan 0.000 0.563 50 N N 1.028 119.690 118.700 -0.063 0.000 2.635 50 N HA 0.013 4.753 4.740 -0.000 0.000 0.191 50 N C 1.809 177.376 175.510 0.096 0.000 1.155 50 N CA 1.837 54.893 53.050 0.011 0.000 0.927 50 N CB -1.863 36.618 38.487 -0.010 0.000 0.976 50 N HN 0.785 nan 8.380 nan 0.000 0.448 51 T N -1.560 113.048 114.554 0.091 0.000 2.721 51 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 51 T C 1.556 176.295 174.700 0.065 0.000 1.038 51 T CA 1.615 63.769 62.100 0.091 0.000 1.145 51 T CB -0.476 68.476 68.868 0.141 0.000 0.858 51 T HN 0.490 nan 8.240 nan 0.000 0.459 52 F N -1.328 118.621 119.950 -0.003 0.000 2.602 52 F HA 0.385 4.912 4.527 -0.000 0.000 0.284 52 F C 0.053 175.844 175.800 -0.015 0.000 1.111 52 F CA -0.970 57.001 58.000 -0.048 0.000 1.405 52 F CB 0.522 39.358 39.000 -0.274 0.000 1.121 52 F HN 0.071 nan 8.300 nan 0.000 0.603 53 F N -0.023 120.036 119.950 0.182 0.000 2.440 53 F HA 0.513 5.040 4.527 -0.000 0.000 0.328 53 F C 0.473 176.272 175.800 -0.002 0.000 1.070 53 F CA -1.802 56.251 58.000 0.088 0.000 1.011 53 F CB 0.829 39.827 39.000 -0.003 0.000 1.226 53 F HN -0.336 nan 8.300 nan 0.000 0.491 54 S N -0.922 114.899 115.700 0.202 0.000 2.482 54 S HA 0.712 5.182 4.470 -0.000 0.000 0.303 54 S C -0.513 174.172 174.600 0.142 0.000 1.091 54 S CA -0.852 57.419 58.200 0.118 0.000 1.057 54 S CB 1.164 64.412 63.200 0.079 0.000 1.031 54 S HN 0.812 nan 8.310 nan 0.000 0.485 55 E N 0.924 121.200 120.200 0.126 0.000 2.289 55 E HA 0.574 4.924 4.350 -0.000 0.000 0.278 55 E C 0.354 177.062 176.600 0.180 0.000 1.032 55 E CA -0.240 56.293 56.400 0.221 0.000 0.854 55 E CB -0.296 29.544 29.700 0.232 0.000 1.046 55 E HN 1.125 nan 8.360 nan 0.000 0.409 56 T N 0.555 115.226 114.554 0.195 0.000 2.902 56 T HA 0.613 4.963 4.350 -0.000 0.000 0.280 56 T C 1.692 176.447 174.700 0.091 0.000 0.992 56 T CA 0.277 62.456 62.100 0.133 0.000 1.015 56 T CB 0.635 69.583 68.868 0.134 0.000 1.044 56 T HN 1.347 nan 8.240 nan 0.000 0.520 57 G N 0.816 109.660 108.800 0.074 0.000 3.719 57 G HA2 0.090 4.050 3.960 -0.000 0.000 0.266 57 G HA3 0.090 4.050 3.960 -0.000 0.000 0.266 57 G C 0.760 175.683 174.900 0.038 0.000 0.902 57 G CA 2.116 47.246 45.100 0.050 0.000 0.775 57 G HN 2.139 nan 8.290 nan 0.000 1.342 58 A N -1.860 120.972 122.820 0.020 0.000 3.124 58 A HA 0.712 5.032 4.320 -0.000 0.000 0.295 58 A C 0.575 178.145 177.584 -0.023 0.000 1.199 58 A CA 0.951 52.990 52.037 0.003 0.000 0.845 58 A CB 0.177 19.180 19.000 0.006 0.000 1.381 58 A HN 2.269 nan 8.150 nan 0.000 0.537 59 G N 0.686 109.453 108.800 -0.054 0.000 4.444 59 G HA2 0.034 3.994 3.960 -0.000 0.000 0.158 59 G HA3 0.034 3.994 3.960 -0.000 0.000 0.158 59 G C 0.326 175.148 174.900 -0.131 0.000 1.789 59 G CA 0.019 45.068 45.100 -0.087 0.000 0.886 59 G HN 0.608 nan 8.290 nan 0.000 0.284 60 K N 0.226 120.601 120.400 -0.042 0.000 2.440 60 K HA 0.358 4.678 4.320 -0.000 0.000 0.270 60 K C 0.663 177.316 176.600 0.087 0.000 0.980 60 K CA -0.006 56.293 56.287 0.021 0.000 0.953 60 K CB 0.356 32.894 32.500 0.063 0.000 0.925 60 K HN 0.394 nan 8.250 nan 0.000 0.497 61 H N 0.976 120.098 119.070 0.088 0.000 3.058 61 H HA 0.070 4.626 4.556 -0.000 0.000 0.258 61 H C -0.577 174.891 175.328 0.235 0.000 1.015 61 H CA -0.091 56.015 56.048 0.096 0.000 1.210 61 H CB 0.307 30.056 29.762 -0.021 0.000 1.481 61 H HN 0.336 nan 8.280 nan 0.000 0.492 62 V N 3.549 123.678 119.914 0.359 0.000 4.015 62 V HA -0.177 3.943 4.120 -0.000 0.000 0.524 62 V C -2.492 173.724 176.094 0.203 0.000 0.686 62 V CA -0.378 62.069 62.300 0.246 0.000 2.034 62 V CB 0.326 32.243 31.823 0.157 0.000 2.413 62 V HN 0.210 nan 8.190 nan 0.000 0.515 63 P HA 0.129 nan 4.420 nan 0.000 0.271 63 P C -0.561 176.507 177.300 -0.386 0.000 1.233 63 P CA -0.095 62.621 63.100 -0.640 0.000 0.789 63 P CB 0.430 31.065 31.700 -1.776 0.000 0.951 64 R N 0.794 121.179 120.500 -0.192 0.000 2.565 64 R HA 0.553 4.893 4.340 -0.000 0.000 0.286 64 R C -0.242 176.021 176.300 -0.061 0.000 1.256 64 R CA -0.193 55.858 56.100 -0.080 0.000 1.238 64 R CB 0.116 30.415 30.300 -0.001 0.000 1.153 64 R HN 0.522 nan 8.270 nan 0.000 0.553 65 A N 1.764 124.452 122.820 -0.220 0.000 2.454 65 A HA 0.709 5.029 4.320 -0.000 0.000 0.302 65 A C -0.780 176.767 177.584 -0.062 0.000 1.079 65 A CA -0.684 51.244 52.037 -0.182 0.000 0.731 65 A CB 1.768 20.430 19.000 -0.562 0.000 1.299 65 A HN 0.282 nan 8.150 nan 0.000 0.413 66 V N -0.747 119.182 119.914 0.026 0.000 2.638 66 V HA 0.762 4.882 4.120 -0.000 0.000 0.306 66 V C -1.383 174.843 176.094 0.219 0.000 1.052 66 V CA -0.659 61.710 62.300 0.114 0.000 0.885 66 V CB 1.154 32.995 31.823 0.029 0.000 0.999 66 V HN 0.641 nan 8.190 nan 0.000 0.424 67 F N 2.690 122.658 119.950 0.031 0.000 2.467 67 F HA 0.821 5.348 4.527 -0.000 0.000 0.336 67 F C -0.065 175.759 175.800 0.041 0.000 1.123 67 F CA -1.111 56.938 58.000 0.081 0.000 0.964 67 F CB 2.212 41.253 39.000 0.068 0.000 1.136 67 F HN 0.307 nan 8.300 nan 0.000 0.447 68 V N 3.654 123.677 119.914 0.182 0.000 2.612 68 V HA 0.406 4.526 4.120 -0.000 0.000 0.301 68 V C -1.099 174.992 176.094 -0.005 0.000 1.059 68 V CA -0.660 61.672 62.300 0.054 0.000 0.886 68 V CB 1.946 33.790 31.823 0.036 0.000 1.007 68 V HN 0.766 nan 8.190 nan 0.000 0.426 69 D N 3.009 123.378 120.400 -0.051 0.000 2.596 69 D HA 0.425 5.065 4.640 -0.000 0.000 0.234 69 D C -0.421 175.805 176.300 -0.124 0.000 1.181 69 D CA -0.503 53.454 54.000 -0.072 0.000 0.856 69 D CB 2.810 43.609 40.800 -0.001 0.000 1.498 69 D HN 0.308 nan 8.370 nan 0.000 0.446 70 L N 1.367 122.520 121.223 -0.117 0.000 2.607 70 L HA 0.179 4.519 4.340 -0.000 0.000 0.228 70 L C 1.015 177.854 176.870 -0.053 0.000 1.123 70 L CA 0.341 55.116 54.840 -0.109 0.000 0.890 70 L CB -0.276 41.716 42.059 -0.112 0.000 1.103 70 L HN 0.426 nan 8.230 nan 0.000 0.468 71 E N -1.447 118.733 120.200 -0.034 0.000 2.303 71 E HA 0.462 4.812 4.350 -0.000 0.000 0.254 71 E C -2.504 174.086 176.600 -0.017 0.000 0.979 71 E CA -1.761 54.627 56.400 -0.019 0.000 0.843 71 E CB 1.567 31.262 29.700 -0.009 0.000 1.245 71 E HN -0.205 nan 8.360 nan 0.000 0.413 72 P HA 0.123 nan 4.420 nan 0.000 0.192 72 P C 0.240 177.535 177.300 -0.008 0.000 1.127 72 P CA 1.006 64.099 63.100 -0.011 0.000 0.797 72 P CB -0.052 31.641 31.700 -0.012 0.000 0.717 73 T N -0.440 114.108 114.554 -0.009 0.000 13.229 73 T HA -0.297 4.053 4.350 -0.000 0.000 0.419 73 T C 1.585 176.279 174.700 -0.009 0.000 1.441 73 T CA 3.129 65.224 62.100 -0.008 0.000 2.359 73 T CB -2.565 66.300 68.868 -0.005 0.000 2.807 73 T HN 0.083 nan 8.240 nan 0.000 0.623 74 V N 1.943 121.855 119.914 -0.002 0.000 2.278 74 V HA -0.204 3.916 4.120 -0.000 0.000 0.251 74 V C 2.442 178.542 176.094 0.009 0.000 1.062 74 V CA 2.701 65.004 62.300 0.005 0.000 1.038 74 V CB -1.135 30.699 31.823 0.019 0.000 0.646 74 V HN 0.718 nan 8.190 nan 0.000 0.447 75 I N 0.337 120.913 120.570 0.012 0.000 2.584 75 I HA -0.066 4.104 4.170 -0.000 0.000 0.255 75 I C 2.207 178.296 176.117 -0.048 0.000 1.145 75 I CA 1.381 62.680 61.300 -0.002 0.000 1.462 75 I CB -0.905 37.110 38.000 0.025 0.000 1.102 75 I HN 0.277 nan 8.210 nan 0.000 0.433 76 D N 2.086 122.464 120.400 -0.036 0.000 2.123 76 D HA -0.186 4.454 4.640 -0.000 0.000 0.196 76 D C 2.375 178.640 176.300 -0.059 0.000 0.992 76 D CA 1.862 55.834 54.000 -0.046 0.000 0.833 76 D CB -0.218 40.563 40.800 -0.032 0.000 0.954 76 D HN 0.480 nan 8.370 nan 0.000 0.455 77 E N 0.426 120.597 120.200 -0.049 0.000 2.268 77 E HA -0.078 4.272 4.350 -0.000 0.000 0.195 77 E C 2.146 178.697 176.600 -0.082 0.000 0.995 77 E CA 0.901 57.269 56.400 -0.053 0.000 0.836 77 E CB -0.838 28.843 29.700 -0.032 0.000 0.763 77 E HN 0.214 nan 8.360 nan 0.000 0.491 78 V N 0.315 120.161 119.914 -0.113 0.000 2.453 78 V HA -0.088 4.032 4.120 -0.000 0.000 0.247 78 V C 2.441 178.391 176.094 -0.241 0.000 1.048 78 V CA 1.588 63.765 62.300 -0.206 0.000 1.049 78 V CB -0.390 31.243 31.823 -0.316 0.000 0.672 78 V HN 0.408 nan 8.190 nan 0.000 0.457 79 R N -0.730 119.661 120.500 -0.181 0.000 2.339 79 R HA -0.018 4.322 4.340 -0.000 0.000 0.199 79 R C 2.144 178.374 176.300 -0.117 0.000 1.018 79 R CA 1.105 57.115 56.100 -0.151 0.000 1.036 79 R CB -0.068 30.169 30.300 -0.106 0.000 0.899 79 R HN 0.484 nan 8.270 nan 0.000 0.473 80 T N -1.216 113.273 114.554 -0.109 0.000 3.156 80 T HA 0.156 4.506 4.350 -0.000 0.000 0.236 80 T C 0.801 175.440 174.700 -0.101 0.000 0.978 80 T CA 0.466 62.512 62.100 -0.089 0.000 1.240 80 T CB 0.021 68.849 68.868 -0.067 0.000 0.951 80 T HN 0.329 nan 8.240 nan 0.000 0.420 81 G N 2.924 111.662 108.800 -0.104 0.000 2.380 81 G HA2 0.369 4.329 3.960 -0.000 0.000 0.242 81 G HA3 0.369 4.329 3.960 -0.000 0.000 0.242 81 G C 0.171 174.970 174.900 -0.169 0.000 1.298 81 G CA -0.057 44.970 45.100 -0.123 0.000 0.878 81 G HN 0.580 nan 8.290 nan 0.000 0.542 82 T N 0.256 114.681 114.554 -0.214 0.000 2.902 82 T HA -0.125 4.225 4.350 -0.000 0.000 0.317 82 T C 0.664 175.127 174.700 -0.394 0.000 1.064 82 T CA 1.177 63.109 62.100 -0.279 0.000 1.130 82 T CB 0.122 68.790 68.868 -0.333 0.000 1.073 82 T HN 1.004 nan 8.240 nan 0.000 0.524 83 Y N -1.438 118.768 120.300 -0.157 0.000 3.286 83 Y HA -0.326 4.224 4.550 -0.000 0.000 0.415 83 Y C 2.221 177.882 175.900 -0.399 0.000 1.421 83 Y CA 0.468 58.406 58.100 -0.269 0.000 1.883 83 Y CB -1.450 36.820 38.460 -0.316 0.000 0.896 83 Y HN 0.671 nan 8.280 nan 0.000 0.425 84 R N 1.337 121.727 120.500 -0.183 0.000 2.257 84 R HA -0.281 4.059 4.340 -0.000 0.000 0.265 84 R C 1.350 177.555 176.300 -0.159 0.000 1.191 84 R CA 2.324 58.305 56.100 -0.199 0.000 1.010 84 R CB -0.136 30.081 30.300 -0.139 0.000 0.883 84 R HN 0.437 nan 8.270 nan 0.000 0.473 85 Q N -0.364 119.376 119.800 -0.100 0.000 2.360 85 Q HA 0.017 4.357 4.340 -0.000 0.000 0.202 85 Q C 1.302 177.309 176.000 0.012 0.000 0.915 85 Q CA 0.221 56.000 55.803 -0.041 0.000 0.943 85 Q CB 0.506 29.236 28.738 -0.014 0.000 1.064 85 Q HN 0.265 nan 8.270 nan 0.000 0.511 86 L N -0.829 120.390 121.223 -0.007 0.000 2.416 86 L HA 0.265 4.605 4.340 -0.000 0.000 0.216 86 L C 0.329 177.483 176.870 0.473 0.000 1.098 86 L CA 0.807 55.764 54.840 0.196 0.000 0.840 86 L CB 0.003 42.187 42.059 0.208 0.000 0.981 86 L HN -0.047 nan 8.230 nan 0.000 0.462 87 F N -1.474 118.418 119.950 -0.096 0.000 2.541 87 F HA 0.262 4.789 4.527 -0.000 0.000 0.331 87 F C 0.246 176.006 175.800 -0.067 0.000 1.057 87 F CA -1.327 56.604 58.000 -0.115 0.000 0.975 87 F CB 0.901 39.768 39.000 -0.222 0.000 1.246 87 F HN -0.189 nan 8.300 nan 0.000 0.484 88 H N 3.058 122.188 119.070 0.100 0.000 2.764 88 H HA 0.080 4.636 4.556 -0.000 0.000 0.341 88 H C -1.530 173.823 175.328 0.042 0.000 1.072 88 H CA -1.126 54.950 56.048 0.046 0.000 1.444 88 H CB 1.212 30.982 29.762 0.014 0.000 1.458 88 H HN 0.146 nan 8.280 nan 0.000 0.572 89 P HA -0.150 nan 4.420 nan 0.000 0.228 89 P C 0.352 177.710 177.300 0.097 0.000 1.151 89 P CA 1.136 64.287 63.100 0.085 0.000 0.770 89 P CB 0.375 32.105 31.700 0.051 0.000 0.786 90 E N 0.312 120.599 120.200 0.145 0.000 2.216 90 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 90 E C 1.930 178.555 176.600 0.042 0.000 0.988 90 E CA 0.652 57.094 56.400 0.070 0.000 0.834 90 E CB -0.185 29.522 29.700 0.013 0.000 0.772 90 E HN 0.539 nan 8.360 nan 0.000 0.479 91 Q N 0.364 120.194 119.800 0.050 0.000 2.472 91 Q HA 0.041 4.381 4.340 -0.000 0.000 0.208 91 Q C 0.568 176.612 176.000 0.073 0.000 0.958 91 Q CA 0.438 56.255 55.803 0.023 0.000 0.932 91 Q CB 0.073 28.774 28.738 -0.062 0.000 1.007 91 Q HN 0.227 nan 8.270 nan 0.000 0.508 92 L N 1.994 123.255 121.223 0.063 0.000 2.314 92 L HA 0.406 4.746 4.340 -0.000 0.000 0.275 92 L C -0.544 176.358 176.870 0.052 0.000 1.068 92 L CA -0.458 54.419 54.840 0.062 0.000 0.894 92 L CB 0.589 42.651 42.059 0.004 0.000 1.275 92 L HN 0.106 nan 8.230 nan 0.000 0.432 93 I N 2.620 123.231 120.570 0.068 0.000 2.304 93 I HA 0.193 4.363 4.170 -0.000 0.000 0.291 93 I C 0.375 176.493 176.117 0.000 0.000 1.018 93 I CA 0.177 61.492 61.300 0.025 0.000 1.260 93 I CB 1.366 39.376 38.000 0.016 0.000 1.390 93 I HN 0.556 nan 8.210 nan 0.000 0.475 94 S N 3.620 119.312 115.700 -0.013 0.000 2.568 94 S HA 0.802 5.272 4.470 -0.000 0.000 0.302 94 S C 0.156 174.732 174.600 -0.040 0.000 1.082 94 S CA -0.641 57.544 58.200 -0.027 0.000 1.009 94 S CB 2.013 65.205 63.200 -0.015 0.000 1.069 94 S HN 0.744 nan 8.310 nan 0.000 0.500 95 G N 0.063 108.833 108.800 -0.050 0.000 4.867 95 G HA2 0.373 4.333 3.960 -0.000 0.000 0.258 95 G HA3 0.373 4.333 3.960 -0.000 0.000 0.258 95 G C 0.146 175.022 174.900 -0.040 0.000 0.999 95 G CA -0.252 44.813 45.100 -0.058 0.000 0.797 95 G HN 0.793 nan 8.290 nan 0.000 0.505 96 K N -0.865 119.520 120.400 -0.025 0.000 6.395 96 K HA -0.297 4.023 4.320 -0.000 0.000 0.314 96 K C 0.528 177.121 176.600 -0.012 0.000 0.630 96 K CA 2.126 58.404 56.287 -0.015 0.000 1.058 96 K CB -0.851 31.643 32.500 -0.010 0.000 0.792 96 K HN 0.451 nan 8.250 nan 0.000 0.909 97 E N 2.098 122.293 120.200 -0.008 0.000 2.289 97 E HA 0.118 4.468 4.350 -0.000 0.000 0.278 97 E C -0.693 175.906 176.600 -0.002 0.000 1.032 97 E CA -0.158 56.242 56.400 0.001 0.000 0.854 97 E CB 1.086 30.792 29.700 0.011 0.000 1.046 97 E HN 0.297 nan 8.360 nan 0.000 0.409 98 D N 2.950 123.352 120.400 0.004 0.000 2.362 98 D HA 0.099 4.739 4.640 -0.000 0.000 0.242 98 D C 0.275 176.585 176.300 0.017 0.000 1.132 98 D CA 0.294 54.296 54.000 0.005 0.000 0.907 98 D CB 1.359 42.163 40.800 0.007 0.000 1.195 98 D HN 0.523 nan 8.370 nan 0.000 0.429 99 A N 2.960 125.792 122.820 0.020 0.000 2.248 99 A HA 0.248 4.568 4.320 -0.000 0.000 0.210 99 A C 1.474 179.088 177.584 0.050 0.000 1.174 99 A CA 1.122 53.185 52.037 0.044 0.000 0.750 99 A CB -0.876 18.158 19.000 0.057 0.000 0.780 99 A HN 1.141 nan 8.150 nan 0.000 0.478 100 A N -0.215 122.623 122.820 0.029 0.000 2.580 100 A HA -0.258 4.062 4.320 -0.000 0.000 0.302 100 A C 0.746 178.328 177.584 -0.003 0.000 1.494 100 A CA 1.023 53.065 52.037 0.008 0.000 0.822 100 A CB -2.189 16.817 19.000 0.009 0.000 1.016 100 A HN 1.056 nan 8.150 nan 0.000 0.429 101 N N -1.387 117.331 118.700 0.030 0.000 2.780 101 N HA -0.190 4.550 4.740 -0.000 0.000 0.248 101 N C -0.553 175.001 175.510 0.073 0.000 1.102 101 N CA 1.426 54.499 53.050 0.040 0.000 0.697 101 N CB -1.265 37.210 38.487 -0.020 0.000 1.028 101 N HN 1.400 nan 8.380 nan 0.000 0.554 102 N N -1.115 117.663 118.700 0.130 0.000 2.431 102 N HA 0.031 4.771 4.740 -0.000 0.000 0.275 102 N C 0.292 176.045 175.510 0.406 0.000 1.091 102 N CA -0.649 52.558 53.050 0.262 0.000 0.922 102 N CB 0.263 38.692 38.487 -0.096 0.000 1.666 102 N HN -0.023 nan 8.380 nan 0.000 0.484 103 Y N 2.451 123.045 120.300 0.490 0.000 2.207 103 Y HA -0.149 4.401 4.550 -0.000 0.000 0.287 103 Y C 2.235 178.373 175.900 0.397 0.000 1.156 103 Y CA 2.675 60.985 58.100 0.349 0.000 1.182 103 Y CB -0.296 38.300 38.460 0.226 0.000 0.979 103 Y HN 0.774 nan 8.280 nan 0.000 0.521 104 A N 0.495 123.741 122.820 0.711 0.000 1.884 104 A HA -0.321 3.999 4.320 -0.000 0.000 0.219 104 A C 2.220 180.022 177.584 0.362 0.000 1.197 104 A CA 2.350 54.763 52.037 0.626 0.000 0.637 104 A CB -0.877 18.520 19.000 0.662 0.000 0.827 104 A HN 0.513 nan 8.150 nan 0.000 0.450 105 R N -0.937 119.715 120.500 0.252 0.000 2.092 105 R HA -0.011 4.329 4.340 -0.000 0.000 0.226 105 R C 2.391 178.763 176.300 0.121 0.000 1.140 105 R CA 1.979 58.181 56.100 0.171 0.000 0.910 105 R CB -1.356 29.021 30.300 0.128 0.000 0.822 105 R HN 0.431 nan 8.270 nan 0.000 0.433 106 G N -0.785 108.070 108.800 0.092 0.000 2.681 106 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.220 106 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.220 106 G C 1.382 176.285 174.900 0.005 0.000 1.210 106 G CA 1.783 46.931 45.100 0.079 0.000 0.783 106 G HN 0.634 nan 8.290 nan 0.000 0.609 107 H N -1.629 117.234 119.070 -0.345 0.000 2.555 107 H HA 0.215 4.771 4.556 -0.000 0.000 0.269 107 H C 1.541 176.568 175.328 -0.502 0.000 0.988 107 H CA 1.101 56.786 56.048 -0.605 0.000 1.178 107 H CB 0.102 29.100 29.762 -1.273 0.000 1.373 107 H HN 0.587 nan 8.280 nan 0.000 0.588 108 Y N -2.995 117.295 120.300 -0.016 0.000 3.087 108 Y HA 0.043 4.593 4.550 -0.000 0.000 0.227 108 Y C 2.218 178.133 175.900 0.025 0.000 1.015 108 Y CA 0.211 58.318 58.100 0.011 0.000 1.399 108 Y CB 0.394 38.916 38.460 0.104 0.000 1.483 108 Y HN 0.076 nan 8.280 nan 0.000 0.420 109 T N 0.829 115.526 114.554 0.239 0.000 2.995 109 T HA -0.103 4.247 4.350 -0.000 0.000 0.216 109 T C 1.476 176.237 174.700 0.101 0.000 1.000 109 T CA 0.748 62.936 62.100 0.147 0.000 2.118 109 T CB -0.569 68.382 68.868 0.139 0.000 1.401 109 T HN 0.074 nan 8.240 nan 0.000 0.389 110 I N 1.920 122.541 120.570 0.085 0.000 3.083 110 I HA 0.044 4.214 4.170 -0.000 0.000 0.273 110 I C 2.171 178.315 176.117 0.045 0.000 1.297 110 I CA 0.544 61.876 61.300 0.053 0.000 1.452 110 I CB -0.651 37.373 38.000 0.040 0.000 1.078 110 I HN 0.514 nan 8.210 nan 0.000 0.484 111 G N -0.004 108.842 108.800 0.077 0.000 2.454 111 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.214 111 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.214 111 G C 1.625 176.602 174.900 0.129 0.000 1.217 111 G CA 0.646 45.831 45.100 0.142 0.000 0.799 111 G HN 0.388 nan 8.290 nan 0.000 0.538 112 K N 0.348 120.784 120.400 0.061 0.000 2.296 112 K HA -0.301 4.019 4.320 -0.000 0.000 0.206 112 K C 2.093 178.722 176.600 0.048 0.000 1.042 112 K CA 2.114 58.422 56.287 0.035 0.000 0.934 112 K CB -0.146 32.374 32.500 0.033 0.000 0.727 112 K HN 0.309 nan 8.250 nan 0.000 0.480 113 E N -0.072 120.158 120.200 0.049 0.000 2.216 113 E HA -0.012 4.338 4.350 -0.000 0.000 0.192 113 E C 1.323 177.939 176.600 0.027 0.000 0.988 113 E CA 0.723 57.141 56.400 0.030 0.000 0.834 113 E CB 0.193 29.904 29.700 0.019 0.000 0.772 113 E HN 0.387 nan 8.360 nan 0.000 0.479 114 I N -0.283 120.312 120.570 0.041 0.000 4.323 114 I HA 0.094 4.264 4.170 -0.000 0.000 0.328 114 I C 1.531 177.711 176.117 0.105 0.000 1.310 114 I CA -0.071 61.240 61.300 0.018 0.000 1.186 114 I CB 0.182 38.127 38.000 -0.093 0.000 1.130 114 I HN 0.139 nan 8.210 nan 0.000 0.411 115 I N 1.087 121.786 120.570 0.216 0.000 2.335 115 I HA -0.311 3.859 4.170 -0.000 0.000 0.251 115 I C 1.366 177.540 176.117 0.096 0.000 1.129 115 I CA 1.834 63.288 61.300 0.256 0.000 1.402 115 I CB -0.184 37.900 38.000 0.140 0.000 1.069 115 I HN 0.309 nan 8.210 nan 0.000 0.424 116 D N 0.061 120.493 120.400 0.053 0.000 2.289 116 D HA -0.108 4.532 4.640 -0.000 0.000 0.207 116 D C 2.015 178.329 176.300 0.024 0.000 0.966 116 D CA 0.384 54.396 54.000 0.020 0.000 0.868 116 D CB 0.417 41.222 40.800 0.008 0.000 0.943 116 D HN 0.270 nan 8.370 nan 0.000 0.514 117 L N 1.114 122.359 121.223 0.036 0.000 2.102 117 L HA -0.049 4.291 4.340 -0.000 0.000 0.202 117 L C 2.425 179.317 176.870 0.036 0.000 1.076 117 L CA 0.976 55.833 54.840 0.027 0.000 0.761 117 L CB -0.846 41.225 42.059 0.020 0.000 0.921 117 L HN -0.173 nan 8.230 nan 0.000 0.444 118 V N 0.057 120.010 119.914 0.065 0.000 2.214 118 V HA -0.353 3.767 4.120 -0.000 0.000 0.247 118 V C 2.590 178.713 176.094 0.048 0.000 1.051 118 V CA 2.149 64.497 62.300 0.080 0.000 1.003 118 V CB -0.729 31.205 31.823 0.185 0.000 0.635 118 V HN 0.387 nan 8.190 nan 0.000 0.447 119 L N -0.054 121.194 121.223 0.042 0.000 2.270 119 L HA -0.259 4.081 4.340 -0.000 0.000 0.217 119 L C 2.264 179.148 176.870 0.023 0.000 1.107 119 L CA 1.846 56.694 54.840 0.013 0.000 0.772 119 L CB -0.451 41.598 42.059 -0.016 0.000 0.902 119 L HN 0.487 nan 8.230 nan 0.000 0.439 120 D N -0.270 120.142 120.400 0.020 0.000 2.077 120 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 120 D C 2.135 178.450 176.300 0.025 0.000 0.983 120 D CA 1.194 55.205 54.000 0.018 0.000 0.841 120 D CB 0.041 40.847 40.800 0.010 0.000 0.992 120 D HN 0.266 nan 8.370 nan 0.000 0.450 121 R N 0.422 120.931 120.500 0.016 0.000 2.200 121 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 121 R C 2.379 178.686 176.300 0.012 0.000 1.127 121 R CA 0.267 56.370 56.100 0.004 0.000 0.989 121 R CB -0.430 29.868 30.300 -0.003 0.000 0.869 121 R HN 0.180 nan 8.270 nan 0.000 0.459 122 V N 1.191 121.118 119.914 0.021 0.000 2.220 122 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 122 V C 2.449 178.602 176.094 0.097 0.000 1.049 122 V CA 1.978 64.291 62.300 0.022 0.000 1.003 122 V CB -0.430 31.384 31.823 -0.015 0.000 0.634 122 V HN 0.220 nan 8.190 nan 0.000 0.444 123 R N 0.189 120.784 120.500 0.158 0.000 2.103 123 R HA -0.223 4.117 4.340 -0.000 0.000 0.234 123 R C 2.364 178.729 176.300 0.107 0.000 1.132 123 R CA 2.167 58.389 56.100 0.202 0.000 0.925 123 R CB -0.631 29.759 30.300 0.150 0.000 0.842 123 R HN 0.425 nan 8.270 nan 0.000 0.430 124 K N -0.032 120.401 120.400 0.055 0.000 2.385 124 K HA -0.230 4.090 4.320 -0.000 0.000 0.202 124 K C 1.536 178.140 176.600 0.007 0.000 1.044 124 K CA 1.448 57.745 56.287 0.017 0.000 0.933 124 K CB -0.075 32.418 32.500 -0.011 0.000 0.744 124 K HN 0.231 nan 8.250 nan 0.000 0.479 125 L N -1.440 119.796 121.223 0.022 0.000 2.347 125 L HA 0.091 4.431 4.340 -0.000 0.000 0.196 125 L C 2.106 178.989 176.870 0.021 0.000 1.072 125 L CA 0.622 55.467 54.840 0.010 0.000 0.817 125 L CB -0.165 41.895 42.059 0.003 0.000 1.029 125 L HN 0.112 nan 8.230 nan 0.000 0.478 126 A N -0.681 122.165 122.820 0.043 0.000 2.239 126 A HA -0.164 4.156 4.320 -0.000 0.000 0.209 126 A C 1.479 179.083 177.584 0.034 0.000 1.171 126 A CA 1.240 53.286 52.037 0.015 0.000 0.768 126 A CB -0.451 18.535 19.000 -0.024 0.000 0.790 126 A HN 0.330 nan 8.150 nan 0.000 0.478 127 D N 0.142 120.573 120.400 0.053 0.000 2.123 127 D HA -0.043 4.597 4.640 -0.000 0.000 0.200 127 D C 0.717 177.033 176.300 0.027 0.000 0.976 127 D CA 1.186 55.215 54.000 0.049 0.000 0.831 127 D CB -0.060 40.768 40.800 0.047 0.000 0.974 127 D HN 0.717 nan 8.370 nan 0.000 0.469 128 Q N 0.011 119.822 119.800 0.018 0.000 2.456 128 Q HA 0.531 4.871 4.340 -0.000 0.000 0.234 128 Q C -0.917 175.088 176.000 0.009 0.000 1.061 128 Q CA -0.486 55.325 55.803 0.014 0.000 0.896 128 Q CB 1.099 29.846 28.738 0.015 0.000 1.233 128 Q HN 0.060 nan 8.270 nan 0.000 0.506 129 C N 2.341 121.644 119.300 0.004 0.000 3.112 129 C HA 0.094 4.554 4.460 -0.000 0.000 0.351 129 C C -0.670 174.313 174.990 -0.012 0.000 1.046 129 C CA -0.272 58.740 59.018 -0.011 0.000 1.410 129 C CB -0.194 27.531 27.740 -0.026 0.000 1.740 129 C HN 0.883 nan 8.230 nan 0.000 0.416 130 T N 1.561 116.109 114.554 -0.010 0.000 3.151 130 T HA 0.580 4.929 4.350 -0.000 0.000 0.332 130 T C 0.857 175.546 174.700 -0.019 0.000 1.245 130 T CA 0.490 62.585 62.100 -0.008 0.000 1.019 130 T CB 0.715 69.583 68.868 -0.000 0.000 1.109 130 T HN 2.432 nan 8.240 nan 0.000 0.621 131 G N 2.165 110.947 108.800 -0.030 0.000 2.462 131 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.124 131 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.124 131 G C -0.318 174.535 174.900 -0.079 0.000 1.062 131 G CA -0.630 44.444 45.100 -0.044 0.000 0.764 131 G HN 1.000 nan 8.290 nan 0.000 0.485 132 L N 0.384 121.543 121.223 -0.107 0.000 2.525 132 L HA 0.487 4.827 4.340 -0.000 0.000 0.278 132 L C 1.356 178.093 176.870 -0.222 0.000 1.218 132 L CA 0.956 55.683 54.840 -0.188 0.000 0.878 132 L CB 0.920 42.826 42.059 -0.254 0.000 1.127 132 L HN 0.407 nan 8.230 nan 0.000 0.492 133 Q N 4.160 123.812 119.800 -0.248 0.000 2.189 133 Q HA 0.399 4.739 4.340 -0.000 0.000 0.223 133 Q C 0.053 175.878 176.000 -0.292 0.000 0.828 133 Q CA 0.468 56.144 55.803 -0.212 0.000 0.967 133 Q CB 0.695 29.360 28.738 -0.122 0.000 1.139 133 Q HN 0.988 nan 8.270 nan 0.000 0.497 134 G N 0.254 108.754 108.800 -0.500 0.000 2.357 134 G HA2 0.205 4.165 3.960 -0.000 0.000 0.289 134 G HA3 0.205 4.165 3.960 -0.000 0.000 0.289 134 G C -1.765 172.704 174.900 -0.719 0.000 1.302 134 G CA -0.924 43.781 45.100 -0.658 0.000 0.936 134 G HN 0.084 nan 8.290 nan 0.000 0.513 135 F N -0.441 119.444 119.950 -0.109 0.000 2.532 135 F HA 0.727 5.254 4.527 -0.000 0.000 0.321 135 F C 0.302 176.080 175.800 -0.037 0.000 1.089 135 F CA -0.944 57.002 58.000 -0.090 0.000 0.926 135 F CB 2.444 41.392 39.000 -0.087 0.000 1.168 135 F HN 0.248 nan 8.300 nan 0.000 0.459 136 L N 4.047 125.412 121.223 0.236 0.000 2.324 136 L HA 0.472 4.812 4.340 -0.000 0.000 0.274 136 L C -1.063 175.930 176.870 0.205 0.000 1.012 136 L CA -0.710 54.246 54.840 0.193 0.000 0.859 136 L CB 1.418 43.613 42.059 0.227 0.000 1.224 136 L HN 0.343 nan 8.230 nan 0.000 0.429 137 V N 3.847 123.863 119.914 0.169 0.000 2.370 137 V HA 0.373 4.493 4.120 -0.000 0.000 0.279 137 V C -0.268 175.994 176.094 0.280 0.000 1.029 137 V CA -0.298 62.116 62.300 0.190 0.000 0.870 137 V CB 1.275 33.166 31.823 0.115 0.000 0.984 137 V HN 0.301 nan 8.190 nan 0.000 0.451 138 F N 5.411 125.391 119.950 0.051 0.000 2.420 138 F HA 0.705 5.232 4.527 -0.000 0.000 0.342 138 F C 0.452 176.387 175.800 0.224 0.000 1.113 138 F CA -0.455 57.621 58.000 0.127 0.000 1.059 138 F CB 1.111 40.157 39.000 0.076 0.000 1.128 138 F HN 0.693 nan 8.300 nan 0.000 0.475 139 H N -1.503 117.707 119.070 0.233 0.000 3.037 139 H HA 0.396 4.952 4.556 -0.000 0.000 0.336 139 H C -1.601 173.813 175.328 0.143 0.000 1.323 139 H CA -1.218 54.934 56.048 0.174 0.000 1.159 139 H CB 0.685 30.538 29.762 0.152 0.000 1.882 139 H HN 0.422 nan 8.280 nan 0.000 0.535 140 S N 1.307 117.124 115.700 0.195 0.000 2.549 140 S HA 0.154 4.624 4.470 -0.000 0.000 0.279 140 S C 1.063 175.826 174.600 0.272 0.000 1.321 140 S CA -0.712 57.583 58.200 0.159 0.000 1.054 140 S CB 0.714 64.019 63.200 0.175 0.000 0.899 140 S HN 0.551 nan 8.310 nan 0.000 0.497 141 F N 2.011 122.019 119.950 0.098 0.000 2.084 141 F HA 0.075 4.602 4.527 -0.000 0.000 0.296 141 F C 1.768 177.670 175.800 0.170 0.000 1.111 141 F CA 0.810 58.900 58.000 0.150 0.000 1.224 141 F CB -0.184 38.869 39.000 0.089 0.000 0.991 141 F HN 0.753 nan 8.300 nan 0.000 0.471 142 G N -1.031 107.966 108.800 0.328 0.000 2.601 142 G HA2 0.483 4.443 3.960 -0.000 0.000 0.317 142 G HA3 0.483 4.443 3.960 -0.000 0.000 0.317 142 G C -0.633 174.387 174.900 0.199 0.000 1.246 142 G CA -0.036 45.187 45.100 0.205 0.000 1.012 142 G HN 0.662 nan 8.290 nan 0.000 0.494 143 G N -1.843 107.062 108.800 0.175 0.000 2.712 143 G HA2 0.345 4.305 3.960 -0.000 0.000 0.686 143 G HA3 0.345 4.305 3.960 -0.000 0.000 0.686 143 G C 1.033 176.047 174.900 0.190 0.000 1.321 143 G CA 0.081 45.273 45.100 0.153 0.000 0.813 143 G HN 1.810 nan 8.290 nan 0.000 0.599 144 G N -0.055 108.836 108.800 0.150 0.000 2.992 144 G HA2 0.046 4.006 3.960 -0.000 0.000 0.199 144 G HA3 0.046 4.006 3.960 -0.000 0.000 0.199 144 G C 2.173 177.179 174.900 0.176 0.000 1.380 144 G CA 3.472 48.663 45.100 0.152 0.000 0.776 144 G HN 2.432 nan 8.290 nan 0.000 0.757 145 T N -1.273 113.366 114.554 0.141 0.000 3.035 145 T HA 0.176 4.526 4.350 -0.000 0.000 0.268 145 T C 2.338 177.175 174.700 0.229 0.000 1.109 145 T CA 1.592 63.789 62.100 0.162 0.000 1.119 145 T CB -0.393 68.518 68.868 0.072 0.000 0.900 145 T HN 0.531 nan 8.240 nan 0.000 0.503 146 G N 1.205 110.141 108.800 0.227 0.000 2.432 146 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.219 146 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.219 146 G C 1.882 176.989 174.900 0.346 0.000 1.135 146 G CA 1.195 46.469 45.100 0.291 0.000 0.767 146 G HN 0.725 nan 8.290 nan 0.000 0.550 147 S N -0.194 115.707 115.700 0.335 0.000 2.510 147 S HA 0.238 4.708 4.470 -0.000 0.000 0.230 147 S C 2.403 177.231 174.600 0.380 0.000 1.066 147 S CA 1.036 59.473 58.200 0.394 0.000 0.941 147 S CB -0.551 62.910 63.200 0.435 0.000 0.829 147 S HN 0.360 nan 8.310 nan 0.000 0.530 148 G N 1.380 110.341 108.800 0.268 0.000 2.484 148 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.215 148 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.215 148 G C 1.242 176.153 174.900 0.019 0.000 1.219 148 G CA 0.836 45.915 45.100 -0.035 0.000 0.791 148 G HN 0.432 nan 8.290 nan 0.000 0.550 149 F N 1.785 121.719 119.950 -0.026 0.000 2.051 149 F HA -0.110 4.417 4.527 -0.000 0.000 0.296 149 F C 3.055 178.834 175.800 -0.034 0.000 1.122 149 F CA 2.269 60.243 58.000 -0.044 0.000 1.201 149 F CB -0.547 38.441 39.000 -0.021 0.000 0.978 149 F HN 0.165 nan 8.300 nan 0.000 0.472 150 T N -0.352 114.210 114.554 0.013 0.000 2.572 150 T HA -0.401 3.949 4.350 -0.000 0.000 0.258 150 T C 2.093 176.676 174.700 -0.196 0.000 1.154 150 T CA 2.088 64.099 62.100 -0.148 0.000 1.157 150 T CB -1.147 67.591 68.868 -0.217 0.000 0.856 150 T HN 0.388 nan 8.240 nan 0.000 0.443 151 S N 0.546 116.218 115.700 -0.047 0.000 2.377 151 S HA -0.148 4.322 4.470 -0.000 0.000 0.224 151 S C 1.971 176.559 174.600 -0.020 0.000 1.042 151 S CA 1.637 59.863 58.200 0.044 0.000 1.086 151 S CB -0.683 62.652 63.200 0.225 0.000 0.995 151 S HN 0.351 nan 8.310 nan 0.000 0.428 152 L N 1.878 123.085 121.223 -0.027 0.000 2.081 152 L HA -0.052 4.288 4.340 -0.000 0.000 0.212 152 L C 2.150 178.762 176.870 -0.431 0.000 1.080 152 L CA 1.612 56.264 54.840 -0.313 0.000 0.754 152 L CB -0.861 40.859 42.059 -0.566 0.000 0.893 152 L HN 0.423 nan 8.230 nan 0.000 0.433 153 L N -1.406 119.457 121.223 -0.600 0.000 1.970 153 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 153 L C 2.529 179.205 176.870 -0.323 0.000 1.071 153 L CA 2.029 56.536 54.840 -0.555 0.000 0.751 153 L CB -0.394 41.317 42.059 -0.580 0.000 0.889 153 L HN 0.336 nan 8.230 nan 0.000 0.432 154 M N -0.301 119.149 119.600 -0.250 0.000 2.065 154 M HA -0.242 4.238 4.480 -0.000 0.000 0.259 154 M C 2.045 178.185 176.300 -0.266 0.000 1.069 154 M CA 1.585 56.786 55.300 -0.165 0.000 1.110 154 M CB -1.339 31.217 32.600 -0.073 0.000 1.328 154 M HN 0.289 nan 8.290 nan 0.000 0.405 155 E N -0.334 119.649 120.200 -0.361 0.000 2.095 155 E HA -0.292 4.058 4.350 -0.000 0.000 0.212 155 E C 2.202 178.528 176.600 -0.457 0.000 1.044 155 E CA 1.917 57.919 56.400 -0.663 0.000 0.857 155 E CB -0.393 29.119 29.700 -0.314 0.000 0.764 155 E HN 0.431 nan 8.360 nan 0.000 0.462 156 R N 0.452 120.781 120.500 -0.286 0.000 2.090 156 R HA -0.034 4.306 4.340 -0.000 0.000 0.228 156 R C 2.567 178.787 176.300 -0.134 0.000 1.110 156 R CA 0.522 56.502 56.100 -0.201 0.000 0.973 156 R CB -0.047 30.140 30.300 -0.189 0.000 0.869 156 R HN 0.132 nan 8.270 nan 0.000 0.440 157 L N -0.194 120.973 121.223 -0.094 0.000 2.012 157 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 157 L C 1.906 178.854 176.870 0.131 0.000 1.073 157 L CA 1.451 56.340 54.840 0.082 0.000 0.748 157 L CB -0.654 41.456 42.059 0.084 0.000 0.891 157 L HN 0.180 nan 8.230 nan 0.000 0.431 158 S N -0.625 115.099 115.700 0.041 0.000 2.626 158 S HA -0.058 4.412 4.470 -0.000 0.000 0.245 158 S C 1.593 176.210 174.600 0.028 0.000 0.973 158 S CA 0.456 58.695 58.200 0.065 0.000 0.959 158 S CB -0.138 63.105 63.200 0.072 0.000 0.762 158 S HN 0.216 nan 8.310 nan 0.000 0.539 159 V N 0.449 120.350 119.914 -0.022 0.000 3.001 159 V HA 0.073 4.193 4.120 -0.000 0.000 0.228 159 V C 1.432 177.467 176.094 -0.098 0.000 1.204 159 V CA 0.552 62.818 62.300 -0.055 0.000 1.247 159 V CB -0.556 31.215 31.823 -0.087 0.000 1.093 159 V HN 0.216 nan 8.190 nan 0.000 0.504 160 D N -0.340 119.944 120.400 -0.193 0.000 2.310 160 D HA -0.076 4.564 4.640 -0.000 0.000 0.212 160 D C -0.064 175.881 176.300 -0.592 0.000 0.965 160 D CA 1.252 55.007 54.000 -0.408 0.000 0.879 160 D CB -0.108 40.378 40.800 -0.524 0.000 0.921 160 D HN 0.614 nan 8.370 nan 0.000 0.510 161 Y N -1.015 119.319 120.300 0.056 0.000 2.662 161 Y HA 0.403 4.953 4.550 -0.000 0.000 0.358 161 Y C 1.505 177.426 175.900 0.036 0.000 1.041 161 Y CA -0.984 57.153 58.100 0.061 0.000 1.184 161 Y CB 1.255 39.795 38.460 0.133 0.000 1.114 161 Y HN -0.188 nan 8.280 nan 0.000 0.650 162 G N 2.101 110.968 108.800 0.110 0.000 2.628 162 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.217 162 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.217 162 G C 1.403 176.344 174.900 0.069 0.000 1.240 162 G CA 1.511 46.655 45.100 0.073 0.000 0.792 162 G HN 0.438 nan 8.290 nan 0.000 0.593 163 K N 1.261 121.692 120.400 0.051 0.000 1.983 163 K HA -0.012 4.308 4.320 -0.000 0.000 0.225 163 K C 0.870 177.471 176.600 0.001 0.000 1.030 163 K CA 0.957 57.255 56.287 0.019 0.000 1.027 163 K CB -0.660 31.843 32.500 0.005 0.000 0.757 163 K HN 0.240 nan 8.250 nan 0.000 0.444 164 K N 2.493 122.868 120.400 -0.042 0.000 2.403 164 K HA -0.148 4.172 4.320 -0.000 0.000 0.244 164 K C -0.024 176.513 176.600 -0.105 0.000 1.095 164 K CA 0.795 56.998 56.287 -0.139 0.000 1.146 164 K CB -1.460 30.857 32.500 -0.305 0.000 0.784 164 K HN 0.583 nan 8.250 nan 0.000 0.504 165 S N 2.498 118.144 115.700 -0.090 0.000 2.617 165 S HA 0.395 4.865 4.470 -0.000 0.000 0.259 165 S C -0.161 174.419 174.600 -0.033 0.000 1.301 165 S CA -0.481 57.695 58.200 -0.041 0.000 0.984 165 S CB 1.089 64.274 63.200 -0.025 0.000 0.954 165 S HN 0.502 nan 8.310 nan 0.000 0.572 166 K N 0.055 120.455 120.400 0.001 0.000 2.443 166 K HA 0.596 4.916 4.320 -0.000 0.000 0.252 166 K C -1.833 174.749 176.600 -0.030 0.000 0.933 166 K CA -0.419 55.894 56.287 0.042 0.000 0.792 166 K CB 1.662 34.219 32.500 0.096 0.000 1.185 166 K HN 0.360 nan 8.250 nan 0.000 0.425 167 L N 3.192 124.406 121.223 -0.015 0.000 2.316 167 L HA 0.265 4.605 4.340 -0.000 0.000 0.280 167 L C -0.531 176.340 176.870 0.002 0.000 1.006 167 L CA -0.316 54.468 54.840 -0.094 0.000 0.836 167 L CB 1.366 43.377 42.059 -0.080 0.000 1.221 167 L HN 0.618 nan 8.230 nan 0.000 0.418 168 E N 2.430 122.586 120.200 -0.073 0.000 2.249 168 E HA 0.399 4.749 4.350 -0.000 0.000 0.280 168 E C -1.262 175.302 176.600 -0.061 0.000 1.016 168 E CA -0.428 55.998 56.400 0.043 0.000 0.830 168 E CB 0.955 30.759 29.700 0.174 0.000 1.081 168 E HN 0.241 nan 8.360 nan 0.000 0.395 169 F N 2.247 122.069 119.950 -0.214 0.000 2.347 169 F HA 0.276 4.803 4.527 -0.000 0.000 0.366 169 F C -0.290 175.308 175.800 -0.335 0.000 1.107 169 F CA -0.491 57.356 58.000 -0.256 0.000 1.058 169 F CB 1.759 40.422 39.000 -0.562 0.000 1.236 169 F HN 0.364 nan 8.300 nan 0.000 0.456 170 S N 4.078 119.614 115.700 -0.273 0.000 2.472 170 S HA 0.572 5.042 4.470 -0.000 0.000 0.303 170 S C -0.377 174.062 174.600 -0.267 0.000 1.099 170 S CA -0.489 57.340 58.200 -0.619 0.000 1.077 170 S CB 1.162 63.672 63.200 -1.149 0.000 1.031 170 S HN 0.285 nan 8.310 nan 0.000 0.487 171 I N 3.902 124.381 120.570 -0.151 0.000 2.268 171 I HA 0.169 4.339 4.170 -0.000 0.000 0.290 171 I C -0.260 176.001 176.117 0.241 0.000 1.125 171 I CA -0.489 60.861 61.300 0.084 0.000 1.236 171 I CB -0.616 37.447 38.000 0.104 0.000 1.469 171 I HN 0.586 nan 8.210 nan 0.000 0.512 172 Y N 8.822 129.260 120.300 0.229 0.000 2.650 172 Y HA 0.265 4.815 4.550 -0.000 0.000 0.331 172 Y C -2.279 173.728 175.900 0.178 0.000 1.165 172 Y CA -2.529 55.799 58.100 0.380 0.000 1.473 172 Y CB 0.222 38.873 38.460 0.318 0.000 1.224 172 Y HN 0.409 nan 8.280 nan 0.000 0.533 173 P HA 0.341 nan 4.420 nan 0.000 0.293 173 P C -1.373 175.890 177.300 -0.062 0.000 1.313 173 P CA -0.294 62.787 63.100 -0.030 0.000 0.787 173 P CB 1.169 32.831 31.700 -0.064 0.000 0.910 174 A N 6.333 129.192 122.820 0.064 0.000 2.309 174 A HA 0.500 4.820 4.320 -0.000 0.000 0.298 174 A C -1.312 176.253 177.584 -0.033 0.000 1.165 174 A CA -1.624 50.437 52.037 0.039 0.000 0.821 174 A CB -0.396 18.616 19.000 0.021 0.000 1.102 174 A HN 0.351 nan 8.150 nan 0.000 0.500 175 P HA -0.367 nan 4.420 nan 0.000 0.222 175 P C 1.580 178.834 177.300 -0.077 0.000 1.147 175 P CA 2.491 65.554 63.100 -0.062 0.000 0.958 175 P CB -0.018 31.646 31.700 -0.060 0.000 0.788 176 Q N -0.115 119.607 119.800 -0.131 0.000 1.969 176 Q HA -0.062 4.278 4.340 -0.000 0.000 0.198 176 Q C 0.901 176.844 176.000 -0.094 0.000 0.978 176 Q CA 1.425 57.145 55.803 -0.139 0.000 0.830 176 Q CB -1.557 27.041 28.738 -0.233 0.000 0.896 176 Q HN 0.127 nan 8.270 nan 0.000 0.431 177 V N 3.108 122.952 119.914 -0.117 0.000 2.416 177 V HA -0.008 4.112 4.120 -0.000 0.000 0.260 177 V C 0.323 176.458 176.094 0.067 0.000 1.018 177 V CA -0.027 62.268 62.300 -0.009 0.000 1.120 177 V CB -0.779 31.084 31.823 0.066 0.000 1.081 177 V HN 0.262 nan 8.190 nan 0.000 0.474 178 S N 3.954 119.691 115.700 0.063 0.000 4.001 178 S HA -0.116 4.354 4.470 -0.000 0.000 0.457 178 S C 1.382 176.038 174.600 0.093 0.000 0.787 178 S CA 0.833 59.085 58.200 0.088 0.000 1.758 178 S CB -0.447 62.824 63.200 0.120 0.000 1.159 178 S HN 1.135 nan 8.310 nan 0.000 0.562 179 T N 1.356 115.930 114.554 0.034 0.000 5.079 179 T HA 0.702 5.052 4.350 -0.000 0.000 0.289 179 T C 0.328 175.023 174.700 -0.008 0.000 0.923 179 T CA -0.090 62.016 62.100 0.011 0.000 1.458 179 T CB 0.135 68.984 68.868 -0.031 0.000 1.841 179 T HN 1.428 nan 8.240 nan 0.000 0.357 180 A N -0.857 121.932 122.820 -0.051 0.000 1.481 180 A HA 0.501 4.821 4.320 -0.000 0.000 0.235 180 A C 0.767 178.257 177.584 -0.157 0.000 0.954 180 A CA -0.337 51.649 52.037 -0.085 0.000 0.760 180 A CB -0.493 18.469 19.000 -0.064 0.000 0.729 180 A HN 1.285 nan 8.150 nan 0.000 0.325 181 V N 2.108 121.899 119.914 -0.205 0.000 2.378 181 V HA -0.463 3.657 4.120 -0.000 0.000 0.169 181 V C 2.547 178.358 176.094 -0.472 0.000 0.985 181 V CA 3.528 65.610 62.300 -0.364 0.000 1.533 181 V CB -1.690 29.853 31.823 -0.467 0.000 1.063 181 V HN 2.266 nan 8.190 nan 0.000 0.467 182 V N -0.243 119.374 119.914 -0.495 0.000 3.078 182 V HA -0.191 3.929 4.120 -0.000 0.000 0.265 182 V C 2.166 178.172 176.094 -0.147 0.000 1.122 182 V CA 2.753 64.800 62.300 -0.422 0.000 1.141 182 V CB -0.354 31.343 31.823 -0.209 0.000 0.735 182 V HN 0.727 nan 8.190 nan 0.000 0.498 183 E N 0.847 120.980 120.200 -0.112 0.000 2.048 183 E HA -0.180 4.170 4.350 -0.000 0.000 0.202 183 E C 0.018 176.626 176.600 0.012 0.000 1.021 183 E CA 2.723 59.110 56.400 -0.021 0.000 0.825 183 E CB -1.151 28.513 29.700 -0.059 0.000 0.756 183 E HN 0.567 nan 8.360 nan 0.000 0.454 184 P HA -0.243 nan 4.420 nan 0.000 0.217 184 P C 0.831 178.296 177.300 0.275 0.000 1.162 184 P CA 1.685 64.834 63.100 0.080 0.000 0.901 184 P CB -0.271 31.481 31.700 0.086 0.000 0.793 185 Y N -0.891 119.461 120.300 0.087 0.000 2.069 185 Y HA -0.304 4.246 4.550 -0.000 0.000 0.278 185 Y C 2.393 178.259 175.900 -0.057 0.000 1.175 185 Y CA 0.751 58.888 58.100 0.061 0.000 1.134 185 Y CB -0.768 37.760 38.460 0.112 0.000 0.965 185 Y HN 0.014 nan 8.280 nan 0.000 0.498 186 N N -0.162 118.674 118.700 0.228 0.000 2.142 186 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 186 N C 1.894 177.445 175.510 0.069 0.000 1.023 186 N CA 1.629 54.789 53.050 0.182 0.000 0.852 186 N CB -0.532 38.120 38.487 0.275 0.000 0.998 186 N HN 0.245 nan 8.380 nan 0.000 0.424 187 S N 1.229 116.942 115.700 0.022 0.000 2.356 187 S HA -0.040 4.430 4.470 -0.000 0.000 0.223 187 S C 1.985 176.468 174.600 -0.196 0.000 1.032 187 S CA 0.671 58.802 58.200 -0.115 0.000 1.005 187 S CB -0.227 62.740 63.200 -0.389 0.000 0.867 187 S HN 0.160 nan 8.310 nan 0.000 0.449 188 I N 2.041 122.499 120.570 -0.187 0.000 2.163 188 I HA -0.113 4.057 4.170 -0.000 0.000 0.243 188 I C 2.350 178.255 176.117 -0.353 0.000 1.085 188 I CA 0.951 62.081 61.300 -0.283 0.000 1.347 188 I CB -1.591 36.222 38.000 -0.311 0.000 1.044 188 I HN 0.251 nan 8.210 nan 0.000 0.408 189 L N 0.056 121.019 121.223 -0.433 0.000 1.944 189 L HA -0.312 4.028 4.340 -0.000 0.000 0.218 189 L C 2.712 179.146 176.870 -0.727 0.000 1.075 189 L CA 2.298 56.705 54.840 -0.721 0.000 0.767 189 L CB -0.733 40.718 42.059 -1.014 0.000 0.890 189 L HN 0.239 nan 8.230 nan 0.000 0.434 190 T N -1.963 112.253 114.554 -0.564 0.000 2.684 190 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 190 T C 1.812 176.498 174.700 -0.023 0.000 1.036 190 T CA 2.139 64.138 62.100 -0.170 0.000 1.148 190 T CB -0.136 68.869 68.868 0.229 0.000 0.863 190 T HN 0.332 nan 8.240 nan 0.000 0.436 191 T N -0.159 114.429 114.554 0.057 0.000 3.007 191 T HA -0.105 4.245 4.350 -0.000 0.000 0.270 191 T C 1.608 176.318 174.700 0.017 0.000 1.107 191 T CA 1.522 63.730 62.100 0.180 0.000 1.118 191 T CB -0.331 68.713 68.868 0.292 0.000 0.889 191 T HN 0.625 nan 8.240 nan 0.000 0.506 192 H N 1.124 120.078 119.070 -0.194 0.000 2.276 192 H HA 0.008 4.564 4.556 -0.000 0.000 0.301 192 H C 2.017 177.262 175.328 -0.138 0.000 1.073 192 H CA 2.377 58.297 56.048 -0.213 0.000 1.311 192 H CB -0.620 28.967 29.762 -0.291 0.000 1.379 192 H HN 0.263 nan 8.280 nan 0.000 0.494 193 T N -1.298 112.970 114.554 -0.477 0.000 3.113 193 T HA -0.012 4.338 4.350 -0.000 0.000 0.256 193 T C 1.776 176.394 174.700 -0.136 0.000 1.131 193 T CA 1.019 62.834 62.100 -0.474 0.000 1.074 193 T CB -0.206 68.464 68.868 -0.329 0.000 0.944 193 T HN 0.345 nan 8.240 nan 0.000 0.516 194 T N 2.323 116.842 114.554 -0.057 0.000 2.894 194 T HA 0.163 4.513 4.350 -0.000 0.000 0.258 194 T C 1.854 176.561 174.700 0.011 0.000 1.043 194 T CA 0.487 62.620 62.100 0.055 0.000 1.141 194 T CB -0.285 68.649 68.868 0.110 0.000 0.873 194 T HN 0.528 nan 8.240 nan 0.000 0.449 195 L N 0.893 122.098 121.223 -0.029 0.000 2.362 195 L HA 0.059 4.399 4.340 -0.000 0.000 0.219 195 L C 1.765 178.565 176.870 -0.117 0.000 1.134 195 L CA 1.490 56.320 54.840 -0.016 0.000 0.807 195 L CB -0.519 41.577 42.059 0.061 0.000 0.927 195 L HN 0.275 nan 8.230 nan 0.000 0.447 196 E N -1.008 119.042 120.200 -0.249 0.000 2.385 196 E HA -0.086 4.264 4.350 -0.000 0.000 0.194 196 E C 1.244 177.657 176.600 -0.311 0.000 1.013 196 E CA 0.837 57.049 56.400 -0.313 0.000 0.866 196 E CB -0.325 29.145 29.700 -0.382 0.000 0.832 196 E HN 0.680 nan 8.360 nan 0.000 0.500 197 H N -0.304 118.742 119.070 -0.040 0.000 2.592 197 H HA 0.288 4.844 4.556 -0.000 0.000 0.265 197 H C 0.177 175.490 175.328 -0.025 0.000 0.955 197 H CA -0.123 55.909 56.048 -0.027 0.000 1.175 197 H CB 0.746 30.492 29.762 -0.026 0.000 1.433 197 H HN -0.084 nan 8.280 nan 0.000 0.537 198 S N -0.093 115.625 115.700 0.030 0.000 2.578 198 S HA 0.079 4.549 4.470 -0.000 0.000 0.283 198 S C 0.170 174.717 174.600 -0.087 0.000 1.195 198 S CA -0.576 57.608 58.200 -0.027 0.000 1.050 198 S CB 1.460 64.626 63.200 -0.057 0.000 1.012 198 S HN 0.293 nan 8.310 nan 0.000 0.511 199 D N 0.272 120.609 120.400 -0.106 0.000 2.394 199 D HA 0.193 4.833 4.640 -0.000 0.000 0.226 199 D C 0.243 176.427 176.300 -0.193 0.000 0.990 199 D CA 0.374 54.305 54.000 -0.116 0.000 0.902 199 D CB 0.518 41.278 40.800 -0.067 0.000 1.038 199 D HN 0.468 nan 8.370 nan 0.000 0.499 200 C N -0.050 119.081 119.300 -0.283 0.000 3.171 200 C HA 0.835 5.295 4.460 -0.000 0.000 0.336 200 C C -1.850 172.762 174.990 -0.630 0.000 1.198 200 C CA -0.521 58.230 59.018 -0.445 0.000 1.319 200 C CB 0.867 28.372 27.740 -0.392 0.000 1.682 200 C HN 0.191 nan 8.230 nan 0.000 0.497 201 A N 3.591 125.924 122.820 -0.811 0.000 2.442 201 A HA 0.715 5.035 4.320 -0.000 0.000 0.284 201 A C -1.182 176.051 177.584 -0.586 0.000 1.058 201 A CA -0.282 51.349 52.037 -0.676 0.000 0.738 201 A CB 0.421 19.132 19.000 -0.483 0.000 1.242 201 A HN 0.845 nan 8.150 nan 0.000 0.421 202 F N 2.839 122.567 119.950 -0.370 0.000 2.406 202 F HA 0.323 4.850 4.527 -0.000 0.000 0.358 202 F C 0.794 176.455 175.800 -0.232 0.000 1.161 202 F CA -0.044 57.727 58.000 -0.381 0.000 1.185 202 F CB 0.803 39.299 39.000 -0.840 0.000 1.421 202 F HN 0.540 nan 8.300 nan 0.000 0.576 203 M N 3.235 122.884 119.600 0.081 0.000 2.219 203 M HA 0.302 4.782 4.480 -0.000 0.000 0.353 203 M C -0.909 175.423 176.300 0.053 0.000 1.304 203 M CA -0.018 55.319 55.300 0.062 0.000 1.115 203 M CB 0.654 33.310 32.600 0.092 0.000 1.664 203 M HN 0.193 nan 8.290 nan 0.000 0.459 204 V N 4.606 124.562 119.914 0.069 0.000 2.385 204 V HA 0.164 4.284 4.120 -0.000 0.000 0.277 204 V C -0.459 175.714 176.094 0.130 0.000 1.012 204 V CA -0.985 61.367 62.300 0.087 0.000 0.832 204 V CB 1.344 33.232 31.823 0.108 0.000 1.028 204 V HN 0.755 nan 8.190 nan 0.000 0.436 205 D N 3.665 124.111 120.400 0.077 0.000 2.390 205 D HA 0.110 4.750 4.640 -0.000 0.000 0.249 205 D C 0.941 177.327 176.300 0.143 0.000 1.144 205 D CA 0.399 54.477 54.000 0.129 0.000 0.880 205 D CB 1.023 41.778 40.800 -0.075 0.000 1.182 205 D HN 0.492 nan 8.370 nan 0.000 0.451 206 N N 2.925 121.740 118.700 0.192 0.000 2.080 206 N HA -0.172 4.568 4.740 -0.000 0.000 0.189 206 N C 1.301 176.895 175.510 0.139 0.000 1.036 206 N CA 0.723 53.874 53.050 0.167 0.000 0.846 206 N CB 0.080 38.670 38.487 0.172 0.000 1.015 206 N HN 0.614 nan 8.380 nan 0.000 0.423 207 E N 0.999 121.237 120.200 0.063 0.000 2.164 207 E HA -0.315 4.035 4.350 -0.000 0.000 0.233 207 E C 1.845 178.512 176.600 0.111 0.000 1.073 207 E CA 2.248 58.644 56.400 -0.007 0.000 0.941 207 E CB -0.210 29.478 29.700 -0.021 0.000 0.820 207 E HN 0.391 nan 8.360 nan 0.000 0.486 208 A N 0.328 123.198 122.820 0.083 0.000 1.986 208 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 208 A C 2.130 179.783 177.584 0.115 0.000 1.171 208 A CA 1.714 53.801 52.037 0.084 0.000 0.640 208 A CB -0.587 18.438 19.000 0.041 0.000 0.811 208 A HN 0.375 nan 8.150 nan 0.000 0.451 209 I N -1.713 118.937 120.570 0.133 0.000 2.233 209 I HA -0.173 3.997 4.170 -0.000 0.000 0.243 209 I C 2.427 178.640 176.117 0.160 0.000 1.093 209 I CA 1.479 62.857 61.300 0.129 0.000 1.380 209 I CB -1.661 36.415 38.000 0.127 0.000 1.067 209 I HN 0.570 nan 8.210 nan 0.000 0.413 210 Y N 2.828 123.151 120.300 0.038 0.000 2.081 210 Y HA -0.309 4.241 4.550 -0.000 0.000 0.280 210 Y C 2.210 178.118 175.900 0.014 0.000 1.163 210 Y CA 1.832 59.944 58.100 0.021 0.000 1.135 210 Y CB -0.687 37.784 38.460 0.018 0.000 0.970 210 Y HN 0.192 nan 8.280 nan 0.000 0.498 211 D N 0.412 121.077 120.400 0.442 0.000 2.116 211 D HA -0.217 4.423 4.640 -0.000 0.000 0.193 211 D C 2.259 178.609 176.300 0.083 0.000 0.998 211 D CA 1.938 56.093 54.000 0.257 0.000 0.836 211 D CB -0.546 40.370 40.800 0.193 0.000 0.951 211 D HN 0.438 nan 8.370 nan 0.000 0.449 212 I N 0.557 121.172 120.570 0.075 0.000 2.248 212 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 212 I C 2.392 178.508 176.117 -0.001 0.000 1.107 212 I CA 0.932 62.255 61.300 0.040 0.000 1.373 212 I CB -0.103 37.928 38.000 0.051 0.000 1.055 212 I HN 0.084 nan 8.210 nan 0.000 0.418 213 C N -0.014 119.265 119.300 -0.036 0.000 2.440 213 C HA -0.100 4.360 4.460 -0.000 0.000 0.278 213 C C 2.770 177.686 174.990 -0.123 0.000 1.295 213 C CA 0.576 59.543 59.018 -0.086 0.000 1.738 213 C CB -1.193 26.472 27.740 -0.125 0.000 1.987 213 C HN 0.438 nan 8.230 nan 0.000 0.492 214 R N 0.274 120.671 120.500 -0.172 0.000 2.090 214 R HA -0.033 4.307 4.340 -0.000 0.000 0.228 214 R C 2.459 178.721 176.300 -0.064 0.000 1.110 214 R CA 0.696 56.708 56.100 -0.147 0.000 0.973 214 R CB -0.330 29.876 30.300 -0.158 0.000 0.869 214 R HN 0.504 nan 8.270 nan 0.000 0.440 215 R N 1.028 121.507 120.500 -0.034 0.000 2.092 215 R HA -0.044 4.296 4.340 -0.000 0.000 0.226 215 R C 1.798 178.094 176.300 -0.008 0.000 1.140 215 R CA 1.732 57.828 56.100 -0.007 0.000 0.910 215 R CB -0.438 29.869 30.300 0.012 0.000 0.822 215 R HN 0.400 nan 8.270 nan 0.000 0.433 216 N N -0.047 118.651 118.700 -0.004 0.000 2.436 216 N HA -0.063 4.677 4.740 -0.000 0.000 0.178 216 N C 1.923 177.432 175.510 -0.002 0.000 1.026 216 N CA 0.360 53.412 53.050 0.003 0.000 0.880 216 N CB -0.174 38.322 38.487 0.015 0.000 1.061 216 N HN 0.013 nan 8.380 nan 0.000 0.434 217 L N 1.737 122.954 121.223 -0.011 0.000 2.201 217 L HA -0.039 4.301 4.340 -0.000 0.000 0.212 217 L C -0.019 176.833 176.870 -0.028 0.000 1.105 217 L CA 1.179 56.008 54.840 -0.019 0.000 0.775 217 L CB -0.803 41.238 42.059 -0.030 0.000 0.913 217 L HN 0.189 nan 8.230 nan 0.000 0.440 218 D N -0.049 120.329 120.400 -0.037 0.000 2.760 218 D HA -0.226 4.414 4.640 -0.000 0.000 0.244 218 D C -0.536 175.732 176.300 -0.052 0.000 1.123 218 D CA 0.431 54.408 54.000 -0.039 0.000 0.719 218 D CB -1.087 39.700 40.800 -0.022 0.000 1.045 218 D HN 0.169 nan 8.370 nan 0.000 0.426 219 I N 1.596 122.118 120.570 -0.079 0.000 2.389 219 I HA 0.151 4.321 4.170 -0.000 0.000 0.288 219 I C 1.629 177.677 176.117 -0.115 0.000 0.999 219 I CA -0.661 60.586 61.300 -0.089 0.000 1.129 219 I CB 1.624 39.567 38.000 -0.096 0.000 1.288 219 I HN -0.040 nan 8.210 nan 0.000 0.444 220 E N 5.041 125.190 120.200 -0.085 0.000 2.160 220 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 220 E C 1.208 177.740 176.600 -0.114 0.000 0.991 220 E CA 1.324 57.674 56.400 -0.083 0.000 0.810 220 E CB 0.254 29.924 29.700 -0.049 0.000 0.742 220 E HN 0.515 nan 8.360 nan 0.000 0.466 221 R N 0.057 120.487 120.500 -0.116 0.000 2.397 221 R HA 0.140 4.480 4.340 -0.000 0.000 0.241 221 R C -1.904 174.307 176.300 -0.149 0.000 0.914 221 R CA -0.762 55.274 56.100 -0.107 0.000 1.071 221 R CB -0.344 29.913 30.300 -0.071 0.000 1.116 221 R HN -0.001 nan 8.270 nan 0.000 0.524 222 P HA -0.174 nan 4.420 nan 0.000 0.216 222 P C -0.411 176.805 177.300 -0.139 0.000 0.986 222 P CA 1.196 64.169 63.100 -0.212 0.000 0.901 222 P CB -0.286 31.183 31.700 -0.386 0.000 0.876 223 T N 2.543 117.045 114.554 -0.087 0.000 2.926 223 T HA -0.009 4.341 4.350 -0.000 0.000 0.307 223 T C 1.272 175.972 174.700 0.001 0.000 1.059 223 T CA -0.163 61.905 62.100 -0.053 0.000 1.122 223 T CB 0.520 69.385 68.868 -0.005 0.000 0.972 223 T HN 0.291 nan 8.240 nan 0.000 0.545 224 Y N 1.751 122.070 120.300 0.032 0.000 2.069 224 Y HA -0.257 4.293 4.550 -0.000 0.000 0.278 224 Y C 3.078 178.999 175.900 0.035 0.000 1.175 224 Y CA 1.592 59.717 58.100 0.042 0.000 1.134 224 Y CB -0.360 38.125 38.460 0.041 0.000 0.965 224 Y HN 0.751 nan 8.280 nan 0.000 0.498 225 T N -2.506 112.179 114.554 0.218 0.000 3.085 225 T HA -0.093 4.257 4.350 -0.000 0.000 0.263 225 T C 1.284 176.036 174.700 0.085 0.000 1.127 225 T CA 1.012 63.187 62.100 0.125 0.000 1.103 225 T CB -0.497 68.423 68.868 0.087 0.000 0.921 225 T HN 0.376 nan 8.240 nan 0.000 0.510 226 N N 0.392 119.135 118.700 0.072 0.000 2.166 226 N HA -0.022 4.718 4.740 -0.000 0.000 0.186 226 N C 1.391 176.925 175.510 0.039 0.000 1.019 226 N CA 0.554 53.624 53.050 0.032 0.000 0.856 226 N CB -0.079 38.406 38.487 -0.004 0.000 0.993 226 N HN 0.131 nan 8.380 nan 0.000 0.426 227 L N 0.884 122.156 121.223 0.082 0.000 2.209 227 L HA 0.036 4.376 4.340 -0.000 0.000 0.207 227 L C 1.557 178.481 176.870 0.089 0.000 1.094 227 L CA 1.213 56.111 54.840 0.097 0.000 0.790 227 L CB -1.232 40.931 42.059 0.173 0.000 0.932 227 L HN 0.282 nan 8.230 nan 0.000 0.447 228 N N -0.064 118.692 118.700 0.094 0.000 2.092 228 N HA -0.132 4.608 4.740 -0.000 0.000 0.189 228 N C 1.648 177.176 175.510 0.029 0.000 1.040 228 N CA 0.660 53.752 53.050 0.069 0.000 0.845 228 N CB 0.001 38.528 38.487 0.066 0.000 1.017 228 N HN 0.304 nan 8.380 nan 0.000 0.426 229 R N 0.905 121.417 120.500 0.021 0.000 2.204 229 R HA -0.147 4.193 4.340 -0.000 0.000 0.253 229 R C 1.948 178.223 176.300 -0.041 0.000 1.172 229 R CA 0.872 56.969 56.100 -0.005 0.000 0.994 229 R CB -0.452 29.846 30.300 -0.003 0.000 0.874 229 R HN 0.248 nan 8.270 nan 0.000 0.462 230 L N 0.875 122.078 121.223 -0.032 0.000 2.023 230 L HA -0.056 4.284 4.340 -0.000 0.000 0.205 230 L C 2.287 179.103 176.870 -0.090 0.000 1.073 230 L CA 1.650 56.447 54.840 -0.072 0.000 0.745 230 L CB -0.765 41.279 42.059 -0.024 0.000 0.900 230 L HN 0.187 nan 8.230 nan 0.000 0.435 231 M N -0.892 118.699 119.600 -0.016 0.000 2.200 231 M HA -0.164 4.316 4.480 -0.000 0.000 0.265 231 M C 2.288 178.594 176.300 0.010 0.000 1.066 231 M CA 1.676 56.986 55.300 0.017 0.000 1.127 231 M CB -0.009 32.636 32.600 0.075 0.000 1.379 231 M HN 0.412 nan 8.290 nan 0.000 0.420 232 S N -0.058 115.639 115.700 -0.005 0.000 2.407 232 S HA -0.290 4.180 4.470 -0.000 0.000 0.235 232 S C 1.721 176.301 174.600 -0.032 0.000 1.036 232 S CA 1.819 60.007 58.200 -0.019 0.000 1.013 232 S CB -0.646 62.527 63.200 -0.045 0.000 0.820 232 S HN 0.649 nan 8.310 nan 0.000 0.476 233 Q N 0.908 120.634 119.800 -0.124 0.000 2.049 233 Q HA 0.113 4.453 4.340 -0.000 0.000 0.198 233 Q C 1.973 177.863 176.000 -0.182 0.000 0.971 233 Q CA 1.442 57.099 55.803 -0.243 0.000 0.833 233 Q CB -0.445 27.950 28.738 -0.571 0.000 0.896 233 Q HN 0.611 nan 8.270 nan 0.000 0.434 234 I N -0.716 119.760 120.570 -0.157 0.000 2.118 234 I HA -0.319 3.851 4.170 -0.000 0.000 0.241 234 I C 2.084 178.256 176.117 0.091 0.000 1.070 234 I CA 1.104 62.422 61.300 0.031 0.000 1.327 234 I CB -0.510 37.518 38.000 0.046 0.000 1.034 234 I HN 0.068 nan 8.210 nan 0.000 0.405 235 V N -0.140 119.844 119.914 0.117 0.000 2.332 235 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 235 V C 2.604 178.796 176.094 0.164 0.000 1.055 235 V CA 2.154 64.563 62.300 0.182 0.000 1.038 235 V CB -0.993 30.889 31.823 0.100 0.000 0.651 235 V HN 0.605 nan 8.190 nan 0.000 0.450 236 S N 0.179 115.967 115.700 0.147 0.000 2.359 236 S HA -0.254 4.216 4.470 -0.000 0.000 0.223 236 S C 2.145 176.834 174.600 0.150 0.000 1.039 236 S CA 2.400 60.698 58.200 0.163 0.000 1.042 236 S CB -0.433 62.859 63.200 0.153 0.000 0.915 236 S HN 0.611 nan 8.310 nan 0.000 0.439 237 S N 1.085 116.880 115.700 0.159 0.000 2.423 237 S HA 0.135 4.605 4.470 -0.000 0.000 0.231 237 S C 1.768 176.453 174.600 0.142 0.000 1.014 237 S CA 1.180 59.478 58.200 0.165 0.000 0.965 237 S CB -0.391 62.940 63.200 0.219 0.000 0.785 237 S HN 0.546 nan 8.310 nan 0.000 0.495 238 I N 1.670 122.313 120.570 0.121 0.000 2.233 238 I HA -0.132 4.038 4.170 -0.000 0.000 0.243 238 I C 2.382 178.666 176.117 0.278 0.000 1.093 238 I CA 1.166 62.528 61.300 0.105 0.000 1.380 238 I CB -1.062 36.851 38.000 -0.146 0.000 1.067 238 I HN 0.417 nan 8.210 nan 0.000 0.413 239 T N -0.577 114.130 114.554 0.255 0.000 5.825 239 T HA 0.213 4.563 4.350 -0.000 0.000 0.383 239 T C 1.557 176.396 174.700 0.232 0.000 0.920 239 T CA 0.597 62.870 62.100 0.288 0.000 0.947 239 T CB -0.220 68.751 68.868 0.172 0.000 1.292 239 T HN 0.423 nan 8.240 nan 0.000 0.356 240 A N 0.514 123.406 122.820 0.120 0.000 1.468 240 A HA -0.310 4.010 4.320 -0.000 0.000 0.224 240 A C 2.241 180.006 177.584 0.301 0.000 0.358 240 A CA 3.902 56.078 52.037 0.231 0.000 1.097 240 A CB -2.834 16.357 19.000 0.318 0.000 1.465 240 A HN 1.973 nan 8.150 nan 0.000 0.719 241 S N 0.328 116.171 115.700 0.238 0.000 2.420 241 S HA -0.014 4.456 4.470 -0.000 0.000 0.237 241 S C 1.403 176.109 174.600 0.177 0.000 1.023 241 S CA 2.049 60.356 58.200 0.179 0.000 0.991 241 S CB -0.700 62.554 63.200 0.089 0.000 0.792 241 S HN 1.656 nan 8.310 nan 0.000 0.488 242 L N -1.567 119.783 121.223 0.212 0.000 2.640 242 L HA 0.573 4.913 4.340 -0.000 0.000 0.230 242 L C 1.994 178.975 176.870 0.184 0.000 1.123 242 L CA 0.228 55.182 54.840 0.191 0.000 0.900 242 L CB -0.649 41.547 42.059 0.228 0.000 1.146 242 L HN 0.070 nan 8.230 nan 0.000 0.484 243 R N -0.512 120.078 120.500 0.149 0.000 2.121 243 R HA 0.277 4.617 4.340 -0.000 0.000 0.206 243 R C 1.444 177.662 176.300 -0.136 0.000 1.094 243 R CA 0.735 56.814 56.100 -0.036 0.000 1.055 243 R CB -0.028 30.056 30.300 -0.359 0.000 0.964 243 R HN 0.309 nan 8.270 nan 0.000 0.473 244 F N 1.527 121.574 119.950 0.162 0.000 2.746 244 F HA 0.151 4.678 4.527 -0.000 0.000 0.297 244 F C -0.115 175.749 175.800 0.105 0.000 1.113 244 F CA 0.157 58.240 58.000 0.137 0.000 1.367 244 F CB 0.054 39.101 39.000 0.078 0.000 1.111 244 F HN 0.100 nan 8.300 nan 0.000 0.590 245 D N 0.790 121.344 120.400 0.256 0.000 10.830 245 D HA 0.012 4.652 4.640 -0.000 0.000 0.342 245 D C -0.489 175.903 176.300 0.154 0.000 3.116 245 D CA 1.241 55.343 54.000 0.169 0.000 2.688 245 D CB -0.626 40.250 40.800 0.126 0.000 1.183 245 D HN 0.666 nan 8.370 nan 0.000 0.934 246 G N 1.154 110.018 108.800 0.107 0.000 2.693 246 G HA2 0.562 4.522 3.960 -0.000 0.000 0.290 246 G HA3 0.562 4.522 3.960 -0.000 0.000 0.290 246 G C 0.344 175.271 174.900 0.045 0.000 1.378 246 G CA 0.607 45.756 45.100 0.082 0.000 1.120 246 G HN 1.329 nan 8.290 nan 0.000 0.609 247 A N 2.118 124.951 122.820 0.022 0.000 3.302 247 A HA 0.738 5.058 4.320 -0.000 0.000 0.260 247 A C 3.018 180.582 177.584 -0.033 0.000 0.660 247 A CA 3.716 55.749 52.037 -0.005 0.000 1.408 247 A CB -0.982 18.012 19.000 -0.010 0.000 0.914 247 A HN 3.090 nan 8.150 nan 0.000 0.507 248 L N -2.652 118.541 121.223 -0.049 0.000 5.241 248 L HA -0.242 4.098 4.340 -0.000 0.000 0.408 248 L C 0.314 177.093 176.870 -0.151 0.000 0.834 248 L CA 3.528 58.323 54.840 -0.076 0.000 1.936 248 L CB -2.958 39.066 42.059 -0.058 0.000 1.221 248 L HN 2.207 nan 8.230 nan 0.000 0.617 249 N N -3.973 114.623 118.700 -0.174 0.000 3.466 249 N HA 0.467 5.207 4.740 -0.000 0.000 0.217 249 N C -0.509 174.931 175.510 -0.117 0.000 1.265 249 N CA 0.328 53.228 53.050 -0.250 0.000 0.887 249 N CB 0.769 38.863 38.487 -0.655 0.000 1.626 249 N HN 0.981 nan 8.380 nan 0.000 0.700 250 V N 0.267 120.161 119.914 -0.034 0.000 3.354 250 V HA 0.109 4.229 4.120 -0.000 0.000 0.258 250 V C 0.002 176.130 176.094 0.057 0.000 1.159 250 V CA 1.757 64.074 62.300 0.030 0.000 1.125 250 V CB -0.519 31.321 31.823 0.028 0.000 0.774 250 V HN 0.874 nan 8.190 nan 0.000 0.464 251 D N -2.667 117.764 120.400 0.051 0.000 2.596 251 D HA 0.259 4.899 4.640 -0.000 0.000 0.234 251 D C 0.809 177.203 176.300 0.156 0.000 1.181 251 D CA -0.633 53.413 54.000 0.077 0.000 0.856 251 D CB 0.948 41.767 40.800 0.032 0.000 1.498 251 D HN -0.091 nan 8.370 nan 0.000 0.446 252 L N 0.615 121.947 121.223 0.182 0.000 2.027 252 L HA -0.060 4.280 4.340 -0.000 0.000 0.206 252 L C 1.731 178.749 176.870 0.246 0.000 1.074 252 L CA 1.345 56.366 54.840 0.302 0.000 0.745 252 L CB -0.745 41.383 42.059 0.116 0.000 0.898 252 L HN 0.628 nan 8.230 nan 0.000 0.433 253 T N -0.399 114.220 114.554 0.109 0.000 3.118 253 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 253 T C 1.418 176.158 174.700 0.067 0.000 1.166 253 T CA 0.890 63.031 62.100 0.069 0.000 1.073 253 T CB -0.257 68.625 68.868 0.023 0.000 0.884 253 T HN 0.389 nan 8.240 nan 0.000 0.550 254 E N -0.896 119.351 120.200 0.078 0.000 2.476 254 E HA 0.142 4.492 4.350 -0.000 0.000 0.199 254 E C 1.009 177.587 176.600 -0.037 0.000 1.021 254 E CA -0.093 56.305 56.400 -0.004 0.000 0.907 254 E CB 0.152 29.814 29.700 -0.062 0.000 0.974 254 E HN 0.461 nan 8.360 nan 0.000 0.489 255 F N 2.176 122.152 119.950 0.043 0.000 2.074 255 F HA -0.156 4.371 4.527 -0.000 0.000 0.290 255 F C 2.804 178.623 175.800 0.032 0.000 1.118 255 F CA 1.488 59.526 58.000 0.065 0.000 1.199 255 F CB -0.204 38.847 39.000 0.085 0.000 1.012 255 F HN -0.019 nan 8.300 nan 0.000 0.472 256 Q N -0.591 119.332 119.800 0.206 0.000 2.364 256 Q HA -0.136 4.204 4.340 -0.000 0.000 0.207 256 Q C 1.622 177.660 176.000 0.064 0.000 0.970 256 Q CA 1.738 57.599 55.803 0.097 0.000 0.888 256 Q CB -0.827 27.937 28.738 0.043 0.000 0.951 256 Q HN 0.308 nan 8.270 nan 0.000 0.469 257 T N 1.395 115.979 114.554 0.051 0.000 2.737 257 T HA -0.085 4.265 4.350 -0.000 0.000 0.265 257 T C 1.274 175.989 174.700 0.025 0.000 1.038 257 T CA 1.799 63.911 62.100 0.020 0.000 1.144 257 T CB -0.131 68.739 68.868 0.002 0.000 0.866 257 T HN 0.503 nan 8.240 nan 0.000 0.434 258 N N -0.244 118.474 118.700 0.029 0.000 2.415 258 N HA 0.251 4.991 4.740 -0.000 0.000 0.176 258 N C 1.536 177.093 175.510 0.078 0.000 1.042 258 N CA 0.331 53.401 53.050 0.033 0.000 0.902 258 N CB 0.214 38.700 38.487 -0.002 0.000 0.986 258 N HN 0.241 nan 8.380 nan 0.000 0.447 259 L N -0.796 120.495 121.223 0.113 0.000 2.500 259 L HA 0.297 4.637 4.340 -0.000 0.000 0.219 259 L C 0.139 177.096 176.870 0.145 0.000 1.057 259 L CA 0.152 55.080 54.840 0.147 0.000 0.854 259 L CB 0.577 42.755 42.059 0.198 0.000 1.078 259 L HN -0.015 nan 8.230 nan 0.000 0.480 260 V N 1.533 121.521 119.914 0.124 0.000 2.444 260 V HA 0.367 4.487 4.120 -0.000 0.000 0.294 260 V C -1.884 174.286 176.094 0.127 0.000 1.022 260 V CA -1.412 60.979 62.300 0.152 0.000 0.850 260 V CB 1.911 33.818 31.823 0.140 0.000 0.992 260 V HN -0.078 nan 8.190 nan 0.000 0.426 261 P HA 0.145 nan 4.420 nan 0.000 0.224 261 P C -0.537 176.737 177.300 -0.042 0.000 1.159 261 P CA 0.640 63.796 63.100 0.092 0.000 0.824 261 P CB 0.326 32.192 31.700 0.277 0.000 0.833 262 Y N -0.752 119.595 120.300 0.079 0.000 2.376 262 Y HA 0.329 4.879 4.550 -0.000 0.000 0.340 262 Y C -1.395 174.598 175.900 0.156 0.000 0.965 262 Y CA -2.251 55.905 58.100 0.093 0.000 1.078 262 Y CB 1.195 39.694 38.460 0.066 0.000 1.193 262 Y HN -0.222 nan 8.280 nan 0.000 0.452 263 P HA -0.301 nan 4.420 nan 0.000 0.229 263 P C 0.060 177.368 177.300 0.013 0.000 1.147 263 P CA 1.695 64.824 63.100 0.049 0.000 0.949 263 P CB 0.137 31.854 31.700 0.028 0.000 0.786 264 R N 0.374 120.874 120.500 -0.001 0.000 3.072 264 R HA -0.004 4.336 4.340 -0.000 0.000 0.220 264 R C 1.362 177.302 176.300 -0.600 0.000 1.627 264 R CA 0.151 56.101 56.100 -0.249 0.000 1.079 264 R CB -1.850 28.319 30.300 -0.218 0.000 1.217 264 R HN 0.390 nan 8.270 nan 0.000 0.615 265 I N 0.642 121.002 120.570 -0.349 0.000 3.263 265 I HA -0.407 3.763 4.170 -0.000 0.000 0.293 265 I C 0.032 175.717 176.117 -0.720 0.000 0.754 265 I CA 0.691 61.698 61.300 -0.489 0.000 1.643 265 I CB -0.476 37.240 38.000 -0.474 0.000 1.175 265 I HN 0.608 nan 8.210 nan 0.000 0.461 266 H N 1.175 120.108 119.070 -0.228 0.000 3.177 266 H HA -0.087 4.469 4.556 -0.000 0.000 0.313 266 H C -0.143 175.111 175.328 -0.124 0.000 0.983 266 H CA 1.201 57.254 56.048 0.008 0.000 1.358 266 H CB -0.063 29.785 29.762 0.144 0.000 1.294 266 H HN 0.169 nan 8.280 nan 0.000 0.587 267 F N 4.521 124.664 119.950 0.322 0.000 2.335 267 F HA 0.249 4.776 4.527 -0.000 0.000 0.365 267 F C -1.781 174.117 175.800 0.164 0.000 1.122 267 F CA -2.634 55.476 58.000 0.183 0.000 1.151 267 F CB 0.508 39.685 39.000 0.294 0.000 1.282 267 F HN 0.272 nan 8.300 nan 0.000 0.513 268 P HA 0.198 nan 4.420 nan 0.000 0.275 268 P C -0.876 176.576 177.300 0.254 0.000 1.227 268 P CA -0.417 62.826 63.100 0.239 0.000 0.781 268 P CB 0.808 32.668 31.700 0.266 0.000 0.906 269 L N 0.532 121.885 121.223 0.217 0.000 2.322 269 L HA 0.890 5.230 4.340 -0.000 0.000 0.279 269 L C 0.074 177.036 176.870 0.154 0.000 1.036 269 L CA -1.083 53.853 54.840 0.160 0.000 0.807 269 L CB 0.327 42.449 42.059 0.105 0.000 1.226 269 L HN 0.325 nan 8.230 nan 0.000 0.433 270 A N 1.408 124.295 122.820 0.111 0.000 2.326 270 A HA 0.934 5.254 4.320 -0.000 0.000 0.303 270 A C -0.030 177.580 177.584 0.044 0.000 1.164 270 A CA -0.228 51.849 52.037 0.066 0.000 0.929 270 A CB 0.831 19.846 19.000 0.025 0.000 1.363 270 A HN 0.858 nan 8.150 nan 0.000 0.498 271 T N -0.115 114.451 114.554 0.020 0.000 3.824 271 T HA 0.167 4.517 4.350 -0.000 0.000 0.232 271 T C -0.877 173.822 174.700 -0.001 0.000 0.927 271 T CA -0.242 61.859 62.100 0.003 0.000 1.620 271 T CB -0.804 68.031 68.868 -0.054 0.000 0.762 271 T HN 0.514 nan 8.240 nan 0.000 0.619 272 Y N 2.485 122.751 120.300 -0.058 0.000 2.890 272 Y HA 0.280 4.830 4.550 -0.000 0.000 0.341 272 Y C 1.377 177.225 175.900 -0.087 0.000 1.269 272 Y CA 1.209 59.268 58.100 -0.069 0.000 1.517 272 Y CB 0.434 38.871 38.460 -0.037 0.000 1.314 272 Y HN 0.617 nan 8.280 nan 0.000 0.622 273 A N 5.663 128.048 122.820 -0.725 0.000 2.099 273 A HA 0.156 4.476 4.320 -0.000 0.000 0.206 273 A C -1.903 175.534 177.584 -0.246 0.000 1.464 273 A CA 0.464 52.203 52.037 -0.496 0.000 0.603 273 A CB -1.520 17.110 19.000 -0.617 0.000 1.056 273 A HN 0.644 nan 8.150 nan 0.000 0.492 274 P HA 0.419 nan 4.420 nan 0.000 0.270 274 P C -1.201 176.159 177.300 0.100 0.000 1.551 274 P CA -0.314 62.759 63.100 -0.046 0.000 1.049 274 P CB 0.865 32.526 31.700 -0.064 0.000 1.397 275 V N 4.064 124.054 119.914 0.127 0.000 2.406 275 V HA 0.543 4.663 4.120 -0.000 0.000 0.272 275 V C 0.322 176.457 176.094 0.068 0.000 1.043 275 V CA -0.511 61.867 62.300 0.130 0.000 0.915 275 V CB 0.728 32.616 31.823 0.108 0.000 0.988 275 V HN 0.353 nan 8.190 nan 0.000 0.466 276 I N 3.936 124.541 120.570 0.058 0.000 2.827 276 I HA 0.578 4.748 4.170 -0.000 0.000 0.298 276 I C 0.094 176.227 176.117 0.027 0.000 1.235 276 I CA -0.125 61.199 61.300 0.040 0.000 1.021 276 I CB 2.692 40.718 38.000 0.045 0.000 1.259 276 I HN 0.774 nan 8.210 nan 0.000 0.427 277 S N 5.993 121.704 115.700 0.018 0.000 2.465 277 S HA 0.802 5.272 4.470 -0.000 0.000 0.279 277 S C 0.250 174.837 174.600 -0.022 0.000 1.201 277 S CA -0.339 57.860 58.200 -0.003 0.000 1.053 277 S CB 0.935 64.133 63.200 -0.005 0.000 0.953 277 S HN 1.057 nan 8.310 nan 0.000 0.488 278 A N 2.817 125.608 122.820 -0.048 0.000 2.587 278 A HA 0.445 4.765 4.320 -0.000 0.000 0.235 278 A C 1.411 178.941 177.584 -0.090 0.000 1.044 278 A CA 0.852 52.829 52.037 -0.100 0.000 0.754 278 A CB -1.374 17.561 19.000 -0.108 0.000 0.968 278 A HN 2.303 nan 8.150 nan 0.000 0.509 279 E N 0.624 120.749 120.200 -0.125 0.000 3.803 279 E HA -0.169 4.181 4.350 -0.000 0.000 0.242 279 E C 0.638 177.185 176.600 -0.088 0.000 0.590 279 E CA 1.214 57.563 56.400 -0.084 0.000 2.498 279 E CB -1.981 27.697 29.700 -0.037 0.000 1.609 279 E HN 0.921 nan 8.360 nan 0.000 0.670 280 K N -0.431 119.928 120.400 -0.069 0.000 2.536 280 K HA 0.722 5.042 4.320 -0.000 0.000 0.203 280 K C 1.748 178.328 176.600 -0.033 0.000 1.063 280 K CA 0.438 56.721 56.287 -0.006 0.000 1.063 280 K CB 1.441 34.047 32.500 0.176 0.000 0.843 280 K HN 0.670 nan 8.250 nan 0.000 0.521 281 A N 0.562 123.286 122.820 -0.159 0.000 2.248 281 A HA -0.088 4.232 4.320 -0.000 0.000 0.210 281 A C 0.462 178.009 177.584 -0.061 0.000 1.174 281 A CA 1.031 52.959 52.037 -0.180 0.000 0.750 281 A CB -0.326 18.460 19.000 -0.358 0.000 0.780 281 A HN 0.290 nan 8.150 nan 0.000 0.478 282 Y N -1.994 118.266 120.300 -0.067 0.000 2.719 282 Y HA 0.254 4.804 4.550 -0.000 0.000 0.251 282 Y C 1.291 177.136 175.900 -0.093 0.000 1.159 282 Y CA -1.011 57.043 58.100 -0.077 0.000 1.166 282 Y CB -0.893 37.508 38.460 -0.100 0.000 1.219 282 Y HN 0.554 nan 8.280 nan 0.000 0.551 283 H N -1.437 117.714 119.070 0.136 0.000 2.476 283 H HA 0.043 4.599 4.556 -0.000 0.000 0.292 283 H C 1.686 177.049 175.328 0.059 0.000 1.019 283 H CA 0.444 56.538 56.048 0.077 0.000 1.330 283 H CB 0.907 30.698 29.762 0.048 0.000 1.451 283 H HN 0.146 nan 8.280 nan 0.000 0.535 284 E N 1.122 121.438 120.200 0.194 0.000 4.512 284 E HA -0.093 4.257 4.350 -0.000 0.000 0.573 284 E C 0.179 176.826 176.600 0.080 0.000 1.311 284 E CA 1.013 57.481 56.400 0.114 0.000 3.861 284 E CB -0.128 29.629 29.700 0.095 0.000 1.710 284 E HN 0.412 nan 8.360 nan 0.000 0.368 285 Q N -0.780 119.056 119.800 0.059 0.000 2.402 285 Q HA -0.192 4.148 4.340 -0.000 0.000 0.332 285 Q C -0.882 175.134 176.000 0.027 0.000 1.302 285 Q CA 1.159 56.984 55.803 0.037 0.000 0.931 285 Q CB -2.407 26.351 28.738 0.033 0.000 1.031 285 Q HN 0.343 nan 8.270 nan 0.000 0.302 286 L N 2.031 123.262 121.223 0.013 0.000 2.309 286 L HA 0.600 4.940 4.340 -0.000 0.000 0.282 286 L C 0.713 177.578 176.870 -0.008 0.000 1.036 286 L CA -0.051 54.789 54.840 0.000 0.000 0.806 286 L CB 2.082 44.134 42.059 -0.012 0.000 1.220 286 L HN 0.773 nan 8.230 nan 0.000 0.429 287 S N 2.553 118.249 115.700 -0.006 0.000 2.998 287 S HA -0.073 4.397 4.470 -0.000 0.000 0.348 287 S C 1.518 176.115 174.600 -0.005 0.000 1.210 287 S CA -0.479 57.720 58.200 -0.003 0.000 1.118 287 S CB 0.342 63.541 63.200 -0.002 0.000 0.832 287 S HN 0.496 nan 8.310 nan 0.000 0.516 288 V N 3.042 122.961 119.914 0.008 0.000 2.439 288 V HA -0.334 3.786 4.120 -0.000 0.000 0.253 288 V C 2.502 178.618 176.094 0.036 0.000 1.074 288 V CA 2.320 64.636 62.300 0.026 0.000 1.076 288 V CB -1.411 30.437 31.823 0.042 0.000 0.664 288 V HN 1.003 nan 8.190 nan 0.000 0.461 289 A N -0.838 121.996 122.820 0.022 0.000 1.841 289 A HA -0.204 4.116 4.320 -0.000 0.000 0.214 289 A C 2.318 179.908 177.584 0.010 0.000 1.195 289 A CA 1.665 53.715 52.037 0.022 0.000 0.611 289 A CB -0.506 18.503 19.000 0.015 0.000 0.835 289 A HN 0.489 nan 8.150 nan 0.000 0.443 290 E N 0.133 120.331 120.200 -0.003 0.000 2.038 290 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 290 E C 2.059 178.635 176.600 -0.040 0.000 1.000 290 E CA 1.730 58.123 56.400 -0.012 0.000 0.803 290 E CB -0.469 29.223 29.700 -0.013 0.000 0.750 290 E HN 0.739 nan 8.360 nan 0.000 0.448 291 I N -0.293 120.234 120.570 -0.072 0.000 2.143 291 I HA -0.340 3.830 4.170 -0.000 0.000 0.245 291 I C 2.379 178.390 176.117 -0.177 0.000 1.068 291 I CA 1.967 63.183 61.300 -0.141 0.000 1.326 291 I CB -1.348 36.538 38.000 -0.190 0.000 1.028 291 I HN -0.059 nan 8.210 nan 0.000 0.412 292 T N 1.106 115.573 114.554 -0.145 0.000 2.622 292 T HA -0.195 4.155 4.350 -0.000 0.000 0.266 292 T C 1.814 176.487 174.700 -0.044 0.000 1.047 292 T CA 2.283 64.309 62.100 -0.124 0.000 1.159 292 T CB -0.528 68.346 68.868 0.011 0.000 0.863 292 T HN 0.359 nan 8.240 nan 0.000 0.422 293 N N 0.883 119.602 118.700 0.032 0.000 2.381 293 N HA 0.070 4.810 4.740 -0.000 0.000 0.182 293 N C 1.599 177.154 175.510 0.076 0.000 1.025 293 N CA 0.889 53.999 53.050 0.100 0.000 0.888 293 N CB -0.266 38.261 38.487 0.066 0.000 0.965 293 N HN 0.431 nan 8.380 nan 0.000 0.438 294 A N -0.652 122.172 122.820 0.007 0.000 2.178 294 A HA 0.008 4.328 4.320 -0.000 0.000 0.211 294 A C 2.452 180.023 177.584 -0.022 0.000 1.157 294 A CA 0.683 52.721 52.037 0.002 0.000 0.780 294 A CB -0.749 18.241 19.000 -0.017 0.000 0.828 294 A HN 0.554 nan 8.150 nan 0.000 0.476 295 C N -1.700 117.543 119.300 -0.095 0.000 2.464 295 C HA 0.197 4.657 4.460 -0.000 0.000 0.278 295 C C 1.291 176.170 174.990 -0.184 0.000 1.375 295 C CA -0.096 58.811 59.018 -0.186 0.000 1.761 295 C CB -1.620 25.919 27.740 -0.335 0.000 1.944 295 C HN 0.438 nan 8.230 nan 0.000 0.509 296 F N 2.061 122.010 119.950 -0.002 0.000 2.659 296 F HA 0.375 4.902 4.527 -0.000 0.000 0.360 296 F C 0.405 176.222 175.800 0.028 0.000 1.218 296 F CA 0.114 58.135 58.000 0.035 0.000 1.317 296 F CB -0.245 38.778 39.000 0.039 0.000 1.697 296 F HN 0.377 nan 8.300 nan 0.000 0.637 297 E N 2.599 122.905 120.200 0.176 0.000 2.294 297 E HA 0.284 4.634 4.350 -0.000 0.000 0.272 297 E C -2.106 174.541 176.600 0.078 0.000 0.896 297 E CA -2.037 54.427 56.400 0.106 0.000 0.802 297 E CB 1.513 31.251 29.700 0.063 0.000 1.267 297 E HN -0.104 nan 8.360 nan 0.000 0.406 298 P HA -0.269 nan 4.420 nan 0.000 0.218 298 P C 0.797 178.116 177.300 0.031 0.000 1.154 298 P CA 1.937 65.060 63.100 0.037 0.000 0.872 298 P CB 0.153 31.864 31.700 0.018 0.000 0.790 299 A N -1.699 121.140 122.820 0.032 0.000 2.209 299 A HA -0.068 4.252 4.320 -0.000 0.000 0.212 299 A C 1.753 179.356 177.584 0.033 0.000 1.158 299 A CA 0.931 52.986 52.037 0.029 0.000 0.742 299 A CB -0.846 18.169 19.000 0.025 0.000 0.790 299 A HN 0.127 nan 8.150 nan 0.000 0.472 300 N N -0.364 118.357 118.700 0.034 0.000 2.433 300 N HA 0.114 4.854 4.740 -0.000 0.000 0.270 300 N C 0.437 175.969 175.510 0.036 0.000 1.354 300 N CA -0.035 53.034 53.050 0.032 0.000 0.889 300 N CB 0.307 38.805 38.487 0.018 0.000 1.285 300 N HN 0.521 nan 8.380 nan 0.000 0.503 301 Q N -0.248 119.575 119.800 0.038 0.000 2.930 301 Q HA 0.172 4.512 4.340 -0.000 0.000 0.329 301 Q C 0.712 176.736 176.000 0.041 0.000 1.142 301 Q CA 0.363 56.187 55.803 0.036 0.000 0.462 301 Q CB 0.532 29.286 28.738 0.026 0.000 5.313 301 Q HN 0.208 nan 8.270 nan 0.000 0.331 302 M N -1.844 117.774 119.600 0.029 0.000 1.593 302 M HA 0.104 4.584 4.480 -0.000 0.000 0.222 302 M C -1.462 174.837 176.300 -0.002 0.000 1.003 302 M CA 0.364 55.683 55.300 0.032 0.000 0.905 302 M CB 1.409 34.034 32.600 0.042 0.000 1.788 302 M HN 0.147 nan 8.290 nan 0.000 0.664 303 V N 1.698 121.584 119.914 -0.046 0.000 2.680 303 V HA 0.541 4.661 4.120 -0.000 0.000 0.309 303 V C -0.372 175.642 176.094 -0.133 0.000 1.052 303 V CA -0.930 61.284 62.300 -0.144 0.000 0.908 303 V CB 1.599 33.285 31.823 -0.229 0.000 1.001 303 V HN 0.102 nan 8.190 nan 0.000 0.431 304 K N 3.471 123.769 120.400 -0.169 0.000 2.121 304 K HA 0.365 4.685 4.320 -0.000 0.000 0.235 304 K C -0.255 176.267 176.600 -0.130 0.000 1.200 304 K CA 0.034 56.255 56.287 -0.111 0.000 1.115 304 K CB -0.836 31.619 32.500 -0.075 0.000 1.474 304 K HN 0.994 nan 8.250 nan 0.000 0.295 305 C N -0.475 118.760 119.300 -0.109 0.000 3.387 305 C HA 0.760 5.220 4.460 -0.000 0.000 0.361 305 C C -1.271 173.677 174.990 -0.069 0.000 3.137 305 C CA -0.928 58.027 59.018 -0.105 0.000 1.405 305 C CB 1.354 29.011 27.740 -0.138 0.000 3.576 305 C HN 0.694 nan 8.230 nan 0.000 0.496 306 D N -0.446 119.910 120.400 -0.074 0.000 2.966 306 D HA 0.352 4.992 4.640 -0.000 0.000 0.222 306 D C -2.838 173.401 176.300 -0.103 0.000 1.292 306 D CA -1.006 52.955 54.000 -0.064 0.000 0.907 306 D CB 1.538 42.307 40.800 -0.052 0.000 1.621 306 D HN 0.352 nan 8.370 nan 0.000 0.557 307 P HA 0.152 nan 4.420 nan 0.000 0.255 307 P C 0.870 177.952 177.300 -0.364 0.000 1.301 307 P CA 0.249 63.178 63.100 -0.285 0.000 0.817 307 P CB 0.027 31.542 31.700 -0.309 0.000 1.259 308 R N -2.001 118.375 120.500 -0.207 0.000 2.362 308 R HA 0.211 4.551 4.340 -0.000 0.000 0.227 308 R C 1.454 177.669 176.300 -0.142 0.000 0.905 308 R CA 0.983 56.977 56.100 -0.177 0.000 1.067 308 R CB -1.415 28.819 30.300 -0.109 0.000 1.078 308 R HN 0.540 nan 8.270 nan 0.000 0.516 309 H N -1.074 117.916 119.070 -0.134 0.000 2.534 309 H HA 0.633 5.189 4.556 -0.000 0.000 0.250 309 H C 0.447 175.708 175.328 -0.111 0.000 1.256 309 H CA -0.273 55.712 56.048 -0.105 0.000 1.000 309 H CB 0.408 30.125 29.762 -0.076 0.000 1.801 309 H HN 0.890 nan 8.280 nan 0.000 0.569 310 G N -0.490 108.219 108.800 -0.151 0.000 2.658 310 G HA2 0.592 4.552 3.960 -0.000 0.000 0.301 310 G HA3 0.592 4.552 3.960 -0.000 0.000 0.301 310 G C -0.373 174.404 174.900 -0.206 0.000 1.481 310 G CA -0.098 44.921 45.100 -0.136 0.000 0.931 310 G HN 0.880 nan 8.290 nan 0.000 0.573 311 K N 0.715 121.031 120.400 -0.140 0.000 2.276 311 K HA 0.639 4.959 4.320 -0.000 0.000 0.259 311 K C -0.557 175.973 176.600 -0.117 0.000 1.001 311 K CA -0.172 56.022 56.287 -0.155 0.000 0.927 311 K CB 0.415 32.856 32.500 -0.099 0.000 0.969 311 K HN 0.605 nan 8.250 nan 0.000 0.490 312 Y N 0.498 120.696 120.300 -0.170 0.000 2.323 312 Y HA 0.320 4.870 4.550 -0.000 0.000 0.331 312 Y C 1.117 177.052 175.900 0.058 0.000 1.092 312 Y CA -0.650 57.337 58.100 -0.189 0.000 1.150 312 Y CB 1.703 39.748 38.460 -0.693 0.000 1.200 312 Y HN 0.688 nan 8.280 nan 0.000 0.472 313 M N 1.887 121.684 119.600 0.327 0.000 2.540 313 M HA 0.658 5.138 4.480 -0.000 0.000 0.404 313 M C -0.629 175.811 176.300 0.233 0.000 1.133 313 M CA -0.249 55.170 55.300 0.199 0.000 0.900 313 M CB 1.297 33.934 32.600 0.062 0.000 1.540 313 M HN 0.339 nan 8.290 nan 0.000 0.539 314 A N 0.305 123.308 122.820 0.305 0.000 1.546 314 A HA 0.480 4.800 4.320 -0.000 0.000 0.249 314 A C -0.828 176.834 177.584 0.131 0.000 1.020 314 A CA -0.918 51.228 52.037 0.183 0.000 0.846 314 A CB -0.511 18.573 19.000 0.140 0.000 0.982 314 A HN 0.378 nan 8.150 nan 0.000 0.341 315 C N 0.158 119.531 119.300 0.123 0.000 2.347 315 C HA 0.867 5.327 4.460 -0.000 0.000 0.366 315 C C 0.648 175.734 174.990 0.160 0.000 1.241 315 C CA 0.176 59.226 59.018 0.054 0.000 2.360 315 C CB 1.332 29.016 27.740 -0.093 0.000 2.290 315 C HN 1.345 nan 8.230 nan 0.000 0.587 316 C N 2.828 122.290 119.300 0.270 0.000 2.917 316 C HA 0.247 4.707 4.460 -0.000 0.000 0.376 316 C C -0.932 174.162 174.990 0.173 0.000 0.990 316 C CA -0.633 58.506 59.018 0.202 0.000 1.296 316 C CB -1.249 26.569 27.740 0.131 0.000 1.593 316 C HN 0.813 nan 8.230 nan 0.000 0.490 317 L N 3.991 125.330 121.223 0.194 0.000 2.350 317 L HA 0.598 4.938 4.340 -0.000 0.000 0.275 317 L C -0.075 176.902 176.870 0.177 0.000 1.099 317 L CA -0.392 54.547 54.840 0.165 0.000 0.808 317 L CB 1.192 43.428 42.059 0.296 0.000 1.149 317 L HN 0.473 nan 8.230 nan 0.000 0.442 318 L N 3.207 124.494 121.223 0.106 0.000 2.294 318 L HA 0.426 4.766 4.340 -0.000 0.000 0.283 318 L C -0.866 176.036 176.870 0.053 0.000 1.015 318 L CA -0.204 54.697 54.840 0.102 0.000 0.831 318 L CB 0.769 42.860 42.059 0.053 0.000 1.217 318 L HN 0.334 nan 8.230 nan 0.000 0.420 319 Y N 3.498 123.732 120.300 -0.111 0.000 2.403 319 Y HA 0.676 5.226 4.550 -0.000 0.000 0.323 319 Y C 0.079 175.894 175.900 -0.142 0.000 1.226 319 Y CA -0.826 57.191 58.100 -0.138 0.000 1.235 319 Y CB 1.398 39.769 38.460 -0.148 0.000 1.248 319 Y HN 0.401 nan 8.280 nan 0.000 0.489 320 R N 0.349 120.829 120.500 -0.033 0.000 2.566 320 R HA 0.572 4.912 4.340 -0.000 0.000 0.271 320 R C -0.414 175.850 176.300 -0.061 0.000 1.071 320 R CA -0.370 55.687 56.100 -0.071 0.000 0.915 320 R CB 2.227 32.486 30.300 -0.068 0.000 1.228 320 R HN 0.925 nan 8.270 nan 0.000 0.449 321 G N 1.705 110.469 108.800 -0.060 0.000 2.472 321 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.205 321 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.205 321 G C -1.273 173.652 174.900 0.042 0.000 1.270 321 G CA -0.364 44.729 45.100 -0.010 0.000 0.974 321 G HN 0.614 nan 8.290 nan 0.000 0.542 322 D N 0.508 120.943 120.400 0.057 0.000 2.441 322 D HA 0.441 5.081 4.640 -0.000 0.000 0.243 322 D C -0.080 176.262 176.300 0.070 0.000 1.257 322 D CA 0.346 54.398 54.000 0.087 0.000 1.027 322 D CB 0.106 40.940 40.800 0.057 0.000 1.084 322 D HN 0.758 nan 8.370 nan 0.000 0.514 323 V N 4.471 124.430 119.914 0.075 0.000 2.624 323 V HA 0.155 4.275 4.120 -0.000 0.000 0.294 323 V C -0.127 175.980 176.094 0.022 0.000 1.077 323 V CA -0.924 61.403 62.300 0.046 0.000 0.905 323 V CB 2.005 33.870 31.823 0.069 0.000 1.025 323 V HN 0.168 nan 8.190 nan 0.000 0.440 324 V N 8.141 128.075 119.914 0.034 0.000 2.509 324 V HA 0.312 4.432 4.120 -0.000 0.000 0.284 324 V C -0.872 175.202 176.094 -0.033 0.000 1.047 324 V CA -1.214 61.103 62.300 0.028 0.000 0.952 324 V CB 2.104 33.955 31.823 0.047 0.000 0.988 324 V HN 0.729 nan 8.190 nan 0.000 0.469 325 P HA -0.257 nan 4.420 nan 0.000 0.216 325 P C 1.530 178.785 177.300 -0.075 0.000 1.154 325 P CA 2.217 65.258 63.100 -0.099 0.000 0.865 325 P CB 0.090 31.745 31.700 -0.076 0.000 0.789 326 K N -0.069 120.307 120.400 -0.039 0.000 2.448 326 K HA -0.223 4.097 4.320 -0.000 0.000 0.200 326 K C 1.613 178.196 176.600 -0.029 0.000 1.045 326 K CA 2.182 58.452 56.287 -0.028 0.000 0.933 326 K CB -1.429 31.063 32.500 -0.013 0.000 0.755 326 K HN 0.275 nan 8.250 nan 0.000 0.481 327 D N -0.473 119.905 120.400 -0.037 0.000 2.255 327 D HA -0.013 4.627 4.640 -0.000 0.000 0.224 327 D C 2.200 178.473 176.300 -0.045 0.000 0.997 327 D CA 1.458 55.442 54.000 -0.027 0.000 0.906 327 D CB -0.466 40.327 40.800 -0.012 0.000 1.047 327 D HN 0.120 nan 8.370 nan 0.000 0.458 328 V N 1.993 121.852 119.914 -0.092 0.000 2.257 328 V HA -0.361 3.759 4.120 -0.000 0.000 0.257 328 V C 2.069 178.098 176.094 -0.108 0.000 1.077 328 V CA 2.067 64.275 62.300 -0.153 0.000 1.063 328 V CB -0.920 30.690 31.823 -0.356 0.000 0.664 328 V HN 0.233 nan 8.190 nan 0.000 0.450 329 N N 0.552 119.197 118.700 -0.092 0.000 2.004 329 N HA -0.148 4.592 4.740 -0.000 0.000 0.196 329 N C 1.646 177.136 175.510 -0.033 0.000 1.064 329 N CA 1.644 54.658 53.050 -0.060 0.000 0.855 329 N CB -0.287 38.173 38.487 -0.045 0.000 1.056 329 N HN 0.517 nan 8.380 nan 0.000 0.423 330 A N 0.098 122.904 122.820 -0.022 0.000 2.255 330 A HA 0.252 4.572 4.320 -0.000 0.000 0.206 330 A C 1.576 179.154 177.584 -0.010 0.000 1.193 330 A CA 0.842 52.873 52.037 -0.010 0.000 0.794 330 A CB -0.217 18.779 19.000 -0.006 0.000 0.794 330 A HN 0.439 nan 8.150 nan 0.000 0.481 331 A N -1.046 121.764 122.820 -0.017 0.000 2.252 331 A HA 0.396 4.716 4.320 -0.000 0.000 0.213 331 A C 1.636 179.210 177.584 -0.017 0.000 1.188 331 A CA 0.276 52.309 52.037 -0.008 0.000 0.863 331 A CB -0.142 18.860 19.000 0.004 0.000 0.893 331 A HN 0.402 nan 8.150 nan 0.000 0.495 332 I N -0.429 120.113 120.570 -0.048 0.000 2.400 332 I HA -0.084 4.086 4.170 -0.000 0.000 0.248 332 I C 2.838 178.934 176.117 -0.034 0.000 1.109 332 I CA 0.968 62.212 61.300 -0.094 0.000 1.425 332 I CB -0.127 37.770 38.000 -0.172 0.000 1.094 332 I HN 0.280 nan 8.210 nan 0.000 0.425 333 A N 0.746 123.564 122.820 -0.003 0.000 1.927 333 A HA -0.302 4.018 4.320 -0.000 0.000 0.220 333 A C 2.381 179.972 177.584 0.011 0.000 1.185 333 A CA 2.880 54.929 52.037 0.020 0.000 0.639 333 A CB -1.400 17.610 19.000 0.016 0.000 0.820 333 A HN 0.523 nan 8.150 nan 0.000 0.451 334 T N -2.564 111.991 114.554 0.002 0.000 3.014 334 T HA 0.161 4.511 4.350 -0.000 0.000 0.263 334 T C 1.690 176.388 174.700 -0.003 0.000 1.078 334 T CA 1.013 63.114 62.100 0.001 0.000 1.135 334 T CB -0.833 68.037 68.868 0.004 0.000 0.895 334 T HN 0.892 nan 8.240 nan 0.000 0.480 335 I N 0.808 121.374 120.570 -0.007 0.000 3.528 335 I HA 0.658 4.828 4.170 -0.000 0.000 0.298 335 I C 2.325 178.392 176.117 -0.083 0.000 1.281 335 I CA 1.192 62.480 61.300 -0.020 0.000 1.269 335 I CB -2.336 35.688 38.000 0.041 0.000 1.013 335 I HN 0.710 nan 8.210 nan 0.000 0.512 336 K N -1.128 119.253 120.400 -0.031 0.000 2.353 336 K HA 0.129 4.448 4.320 -0.000 0.000 0.206 336 K C 2.062 178.652 176.600 -0.016 0.000 1.191 336 K CA 1.151 57.432 56.287 -0.010 0.000 0.897 336 K CB -1.027 31.506 32.500 0.055 0.000 1.283 336 K HN 0.477 nan 8.250 nan 0.000 0.477 337 T N 1.076 115.627 114.554 -0.006 0.000 2.777 337 T HA 0.078 4.428 4.350 -0.000 0.000 0.266 337 T C 2.045 176.737 174.700 -0.013 0.000 1.040 337 T CA 1.761 63.858 62.100 -0.004 0.000 1.141 337 T CB -0.174 68.695 68.868 0.002 0.000 0.868 337 T HN 0.569 nan 8.240 nan 0.000 0.444 338 K N 1.344 121.734 120.400 -0.016 0.000 3.041 338 K HA 0.657 4.977 4.320 -0.000 0.000 0.243 338 K C 0.369 176.950 176.600 -0.031 0.000 1.167 338 K CA -0.108 56.169 56.287 -0.018 0.000 1.235 338 K CB -0.918 31.576 32.500 -0.009 0.000 1.205 338 K HN 0.640 nan 8.250 nan 0.000 0.448 339 R N -0.701 119.770 120.500 -0.047 0.000 2.707 339 R HA 0.663 5.003 4.340 -0.000 0.000 0.272 339 R C -0.261 175.990 176.300 -0.081 0.000 1.011 339 R CA -0.183 55.871 56.100 -0.078 0.000 0.893 339 R CB -0.012 30.203 30.300 -0.141 0.000 1.233 339 R HN 0.202 nan 8.270 nan 0.000 0.464 340 T N 2.919 117.418 114.554 -0.092 0.000 2.978 340 T HA 0.163 4.513 4.350 -0.000 0.000 0.278 340 T C 1.560 176.183 174.700 -0.128 0.000 0.945 340 T CA 0.336 62.377 62.100 -0.099 0.000 1.070 340 T CB -0.479 68.329 68.868 -0.100 0.000 0.948 340 T HN 0.548 nan 8.240 nan 0.000 0.617 341 I N 4.179 124.689 120.570 -0.101 0.000 2.045 341 I HA -0.060 4.110 4.170 -0.000 0.000 0.233 341 I C 1.752 177.781 176.117 -0.148 0.000 1.048 341 I CA 2.744 63.987 61.300 -0.095 0.000 1.313 341 I CB -0.878 37.112 38.000 -0.017 0.000 1.043 341 I HN 0.764 nan 8.210 nan 0.000 0.393 342 Q N -1.146 118.573 119.800 -0.135 0.000 2.488 342 Q HA -0.225 4.115 4.340 -0.000 0.000 0.279 342 Q C 0.081 175.989 176.000 -0.154 0.000 1.174 342 Q CA 1.146 56.844 55.803 -0.176 0.000 0.888 342 Q CB -3.395 25.161 28.738 -0.304 0.000 1.254 342 Q HN 0.586 nan 8.270 nan 0.000 0.475 343 F N -0.485 119.436 119.950 -0.049 0.000 2.411 343 F HA 0.508 5.035 4.527 -0.000 0.000 0.355 343 F C 1.276 176.955 175.800 -0.202 0.000 1.117 343 F CA -0.639 57.299 58.000 -0.103 0.000 1.139 343 F CB 1.948 40.875 39.000 -0.122 0.000 1.120 343 F HN 0.306 nan 8.300 nan 0.000 0.493 344 V N 6.494 126.405 119.914 -0.005 0.000 2.390 344 V HA -0.032 4.088 4.120 -0.000 0.000 0.260 344 V C 0.646 176.384 176.094 -0.594 0.000 1.043 344 V CA 0.484 62.591 62.300 -0.321 0.000 1.047 344 V CB -0.224 31.340 31.823 -0.431 0.000 1.066 344 V HN 1.006 nan 8.190 nan 0.000 0.481 345 D N 4.704 124.926 120.400 -0.297 0.000 4.333 345 D HA -0.282 4.358 4.640 -0.000 0.000 0.273 345 D C 0.982 177.221 176.300 -0.101 0.000 1.347 345 D CA 3.154 57.050 54.000 -0.174 0.000 2.007 345 D CB -0.828 39.943 40.800 -0.047 0.000 1.146 345 D HN 0.858 nan 8.370 nan 0.000 0.614 346 W N -1.236 120.074 121.300 0.017 0.000 2.324 346 W HA 0.426 5.086 4.660 -0.000 0.000 0.316 346 W C 0.146 176.636 176.519 -0.049 0.000 0.927 346 W CA -0.129 57.210 57.345 -0.010 0.000 1.438 346 W CB -0.757 28.709 29.460 0.010 0.000 1.085 346 W HN 0.274 nan 8.180 nan 0.000 0.532 347 C N 5.858 125.074 119.300 -0.141 0.000 2.203 347 C HA 0.369 4.829 4.460 -0.000 0.000 0.325 347 C C -0.169 174.571 174.990 -0.416 0.000 1.156 347 C CA -1.907 57.042 59.018 -0.115 0.000 1.597 347 C CB -0.464 27.117 27.740 -0.264 0.000 2.148 347 C HN 0.003 nan 8.230 nan 0.000 0.472 348 P HA -0.169 nan 4.420 nan 0.000 0.247 348 P C 0.186 177.189 177.300 -0.495 0.000 0.799 348 P CA 1.965 64.892 63.100 -0.288 0.000 1.118 348 P CB -0.024 31.542 31.700 -0.224 0.000 0.760 349 T N -1.809 112.389 114.554 -0.593 0.000 3.365 349 T HA 0.385 4.734 4.350 -0.000 0.000 0.290 349 T C 0.658 174.987 174.700 -0.617 0.000 0.941 349 T CA -0.024 61.641 62.100 -0.725 0.000 1.522 349 T CB 0.448 69.227 68.868 -0.149 0.000 0.865 349 T HN 0.366 nan 8.240 nan 0.000 0.572 350 G N 1.492 109.729 108.800 -0.939 0.000 2.203 350 G HA2 0.155 4.115 3.960 -0.000 0.000 0.178 350 G HA3 0.155 4.115 3.960 -0.000 0.000 0.178 350 G C 0.172 174.930 174.900 -0.238 0.000 1.480 350 G CA 0.122 44.941 45.100 -0.467 0.000 0.966 350 G HN 0.804 nan 8.290 nan 0.000 0.424 351 F N -0.459 119.554 119.950 0.104 0.000 2.347 351 F HA -0.130 4.397 4.527 -0.000 0.000 0.381 351 F C 0.439 176.255 175.800 0.027 0.000 1.130 351 F CA 0.102 58.153 58.000 0.085 0.000 1.275 351 F CB -1.116 37.946 39.000 0.104 0.000 1.857 351 F HN 0.101 nan 8.300 nan 0.000 0.781 352 K N 2.910 123.410 120.400 0.167 0.000 2.234 352 K HA 0.689 5.009 4.320 -0.000 0.000 0.277 352 K C -0.042 176.607 176.600 0.082 0.000 1.038 352 K CA -0.712 55.625 56.287 0.083 0.000 0.888 352 K CB 2.332 34.852 32.500 0.033 0.000 1.091 352 K HN 0.251 nan 8.250 nan 0.000 0.467 353 V N -1.211 118.720 119.914 0.028 0.000 2.919 353 V HA 0.893 5.013 4.120 -0.000 0.000 0.316 353 V C 0.205 176.264 176.094 -0.059 0.000 1.077 353 V CA -1.084 61.204 62.300 -0.020 0.000 0.977 353 V CB 1.951 33.688 31.823 -0.144 0.000 1.039 353 V HN 0.828 nan 8.190 nan 0.000 0.441 354 G N 2.672 111.441 108.800 -0.052 0.000 2.618 354 G HA2 0.639 4.599 3.960 -0.000 0.000 0.280 354 G HA3 0.639 4.599 3.960 -0.000 0.000 0.280 354 G C -1.067 173.793 174.900 -0.067 0.000 1.458 354 G CA -0.556 44.505 45.100 -0.064 0.000 1.224 354 G HN 0.891 nan 8.290 nan 0.000 0.576 355 I N 0.078 120.543 120.570 -0.175 0.000 2.834 355 I HA 0.582 4.752 4.170 -0.000 0.000 0.305 355 I C 0.660 176.564 176.117 -0.354 0.000 1.008 355 I CA -1.158 59.997 61.300 -0.242 0.000 1.273 355 I CB 1.448 39.223 38.000 -0.375 0.000 1.432 355 I HN 0.385 nan 8.210 nan 0.000 0.557 356 N N -0.229 118.231 118.700 -0.399 0.000 2.067 356 N HA 0.181 4.921 4.740 -0.000 0.000 0.227 356 N C -0.133 175.237 175.510 -0.233 0.000 1.348 356 N CA -0.026 52.846 53.050 -0.297 0.000 0.879 356 N CB 0.299 38.702 38.487 -0.140 0.000 1.109 356 N HN 0.743 nan 8.380 nan 0.000 0.501 357 Y N -1.403 118.856 120.300 -0.068 0.000 3.300 357 Y HA -0.352 4.198 4.550 -0.000 0.000 0.453 357 Y C 0.322 176.146 175.900 -0.127 0.000 1.180 357 Y CA 0.851 58.904 58.100 -0.078 0.000 2.522 357 Y CB -0.877 37.543 38.460 -0.067 0.000 0.854 357 Y HN 0.166 nan 8.280 nan 0.000 0.511 358 Q N 3.601 123.344 119.800 -0.095 0.000 2.276 358 Q HA 0.112 4.452 4.340 -0.000 0.000 0.267 358 Q C -2.323 173.563 176.000 -0.190 0.000 1.135 358 Q CA -1.241 54.405 55.803 -0.262 0.000 0.910 358 Q CB 0.512 28.823 28.738 -0.711 0.000 1.271 358 Q HN 0.119 nan 8.270 nan 0.000 0.417 359 P HA -0.101 nan 4.420 nan 0.000 0.259 359 P C -2.398 174.861 177.300 -0.069 0.000 1.155 359 P CA -0.450 62.613 63.100 -0.061 0.000 0.759 359 P CB -0.134 31.541 31.700 -0.041 0.000 0.753 360 P HA 0.071 nan 4.420 nan 0.000 0.230 360 P C -0.375 176.950 177.300 0.041 0.000 1.791 360 P CA 0.109 63.218 63.100 0.015 0.000 1.020 360 P CB -0.358 31.374 31.700 0.053 0.000 1.977 361 T N 1.352 115.921 114.554 0.024 0.000 2.888 361 T HA 0.246 4.596 4.350 -0.000 0.000 0.301 361 T C 0.779 175.511 174.700 0.054 0.000 1.001 361 T CA 0.035 62.159 62.100 0.040 0.000 1.147 361 T CB 0.309 69.201 68.868 0.041 0.000 0.931 361 T HN 0.081 nan 8.240 nan 0.000 0.541 362 V N 1.655 121.597 119.914 0.046 0.000 3.177 362 V HA 0.781 4.901 4.120 -0.000 0.000 0.319 362 V C 0.040 176.159 176.094 0.041 0.000 1.125 362 V CA -1.095 61.227 62.300 0.036 0.000 1.029 362 V CB 1.306 33.144 31.823 0.025 0.000 1.119 362 V HN 0.586 nan 8.190 nan 0.000 0.452 363 V N 1.276 121.211 119.914 0.035 0.000 2.775 363 V HA 0.310 4.430 4.120 -0.000 0.000 0.299 363 V C -1.031 175.081 176.094 0.030 0.000 1.062 363 V CA -0.652 61.674 62.300 0.045 0.000 1.063 363 V CB 0.654 32.503 31.823 0.044 0.000 0.994 363 V HN 0.947 nan 8.190 nan 0.000 0.483 364 P HA 0.047 nan 4.420 nan 0.000 0.219 364 P C 1.160 178.464 177.300 0.007 0.000 1.154 364 P CA 1.107 64.219 63.100 0.019 0.000 0.826 364 P CB 0.279 31.994 31.700 0.025 0.000 0.795 365 G N -0.085 108.721 108.800 0.010 0.000 3.327 365 G HA2 0.302 4.262 3.960 -0.000 0.000 0.240 365 G HA3 0.302 4.262 3.960 -0.000 0.000 0.240 365 G C 0.793 175.694 174.900 0.002 0.000 1.222 365 G CA 0.148 45.250 45.100 0.002 0.000 0.871 365 G HN 0.421 nan 8.290 nan 0.000 0.525 366 G N 0.098 108.899 108.800 0.002 0.000 2.531 366 G HA2 0.431 4.391 3.960 -0.000 0.000 0.253 366 G HA3 0.431 4.391 3.960 -0.000 0.000 0.253 366 G C 0.165 175.059 174.900 -0.011 0.000 1.439 366 G CA 0.167 45.267 45.100 -0.000 0.000 1.056 366 G HN 0.201 nan 8.290 nan 0.000 0.555 367 D N -1.624 118.768 120.400 -0.013 0.000 2.318 367 D HA 0.075 4.715 4.640 -0.000 0.000 0.294 367 D C 0.745 177.035 176.300 -0.017 0.000 1.091 367 D CA -0.373 53.616 54.000 -0.019 0.000 0.883 367 D CB -0.256 40.533 40.800 -0.019 0.000 1.545 367 D HN 0.368 nan 8.370 nan 0.000 0.513 368 L N 0.607 121.823 121.223 -0.011 0.000 2.499 368 L HA 0.524 4.864 4.340 -0.000 0.000 0.281 368 L C 0.375 177.243 176.870 -0.004 0.000 1.234 368 L CA -0.451 54.388 54.840 -0.001 0.000 0.839 368 L CB 0.079 42.134 42.059 -0.006 0.000 1.104 368 L HN -0.011 nan 8.230 nan 0.000 0.500 369 A N 1.597 124.420 122.820 0.004 0.000 2.347 369 A HA 0.675 4.995 4.320 -0.000 0.000 0.301 369 A C -0.586 177.005 177.584 0.011 0.000 1.163 369 A CA -0.986 51.044 52.037 -0.012 0.000 0.860 369 A CB 0.802 19.778 19.000 -0.039 0.000 1.367 369 A HN 0.824 nan 8.150 nan 0.000 0.461 370 K N -0.182 120.220 120.400 0.004 0.000 2.485 370 K HA 0.385 4.705 4.320 -0.000 0.000 0.277 370 K C -0.711 175.912 176.600 0.039 0.000 0.990 370 K CA -0.049 56.254 56.287 0.026 0.000 0.994 370 K CB 0.174 32.693 32.500 0.032 0.000 0.906 370 K HN 0.430 nan 8.250 nan 0.000 0.488 371 V N 1.110 121.050 119.914 0.043 0.000 2.709 371 V HA 0.157 4.277 4.120 -0.000 0.000 0.308 371 V C 0.205 176.314 176.094 0.026 0.000 1.062 371 V CA -1.027 61.297 62.300 0.039 0.000 0.901 371 V CB 1.637 33.489 31.823 0.047 0.000 1.003 371 V HN 0.848 nan 8.190 nan 0.000 0.425 372 Q N 2.845 122.658 119.800 0.021 0.000 2.247 372 Q HA 0.260 4.600 4.340 -0.000 0.000 0.205 372 Q C 0.028 176.028 176.000 0.000 0.000 0.896 372 Q CA 0.067 55.880 55.803 0.015 0.000 0.950 372 Q CB 0.386 29.138 28.738 0.024 0.000 1.054 372 Q HN 0.889 nan 8.270 nan 0.000 0.482 373 R N -2.780 117.708 120.500 -0.021 0.000 4.584 373 R HA 0.533 4.873 4.340 -0.000 0.000 0.251 373 R C -2.035 174.194 176.300 -0.119 0.000 0.957 373 R CA -0.393 55.677 56.100 -0.051 0.000 1.195 373 R CB -0.265 30.017 30.300 -0.031 0.000 1.233 373 R HN -0.040 nan 8.270 nan 0.000 0.630 374 A N 1.987 124.689 122.820 -0.197 0.000 2.549 374 A HA 0.746 5.066 4.320 -0.000 0.000 0.297 374 A C -0.882 176.394 177.584 -0.515 0.000 1.061 374 A CA -0.633 51.178 52.037 -0.376 0.000 0.690 374 A CB 2.125 20.889 19.000 -0.393 0.000 1.287 374 A HN 0.512 nan 8.150 nan 0.000 0.402 375 V N -0.576 118.935 119.914 -0.672 0.000 3.267 375 V HA 0.619 4.739 4.120 -0.000 0.000 0.317 375 V C 0.755 176.524 176.094 -0.542 0.000 1.131 375 V CA -0.104 61.760 62.300 -0.727 0.000 1.031 375 V CB 1.474 32.857 31.823 -0.734 0.000 1.159 375 V HN 1.291 nan 8.190 nan 0.000 0.454 376 C N -0.171 118.907 119.300 -0.370 0.000 4.061 376 C HA 0.462 4.922 4.460 -0.000 0.000 0.568 376 C C 0.478 175.398 174.990 -0.116 0.000 1.261 376 C CA 0.390 59.300 59.018 -0.181 0.000 2.569 376 C CB -0.229 27.474 27.740 -0.062 0.000 3.702 376 C HN 1.033 nan 8.230 nan 0.000 0.477 377 M N 1.251 120.782 119.600 -0.116 0.000 4.035 377 M HA -0.174 4.306 4.480 -0.000 0.000 0.157 377 M C -1.741 174.563 176.300 0.006 0.000 1.531 377 M CA 0.746 55.994 55.300 -0.086 0.000 1.094 377 M CB -0.382 32.073 32.600 -0.241 0.000 1.345 377 M HN 0.372 nan 8.290 nan 0.000 0.204 378 L N 6.314 127.582 121.223 0.075 0.000 2.335 378 L HA 0.528 4.868 4.340 -0.000 0.000 0.268 378 L C 0.035 176.996 176.870 0.153 0.000 1.037 378 L CA -0.499 54.433 54.840 0.153 0.000 0.895 378 L CB 0.823 43.023 42.059 0.235 0.000 1.266 378 L HN 0.781 nan 8.230 nan 0.000 0.439 379 S N 1.196 116.973 115.700 0.129 0.000 2.475 379 S HA 0.366 4.836 4.470 -0.000 0.000 0.298 379 S C -0.481 174.239 174.600 0.200 0.000 1.119 379 S CA -0.872 57.386 58.200 0.097 0.000 1.085 379 S CB 2.136 65.302 63.200 -0.057 0.000 1.028 379 S HN 0.597 nan 8.310 nan 0.000 0.489 380 N N 1.366 120.195 118.700 0.216 0.000 2.444 380 N HA 0.385 5.125 4.740 -0.000 0.000 0.262 380 N C -1.176 174.530 175.510 0.327 0.000 0.974 380 N CA -0.062 53.156 53.050 0.280 0.000 0.933 380 N CB 1.156 39.797 38.487 0.258 0.000 1.137 380 N HN 0.729 nan 8.380 nan 0.000 0.498 381 T N 0.629 115.395 114.554 0.353 0.000 2.903 381 T HA 0.107 4.457 4.350 -0.000 0.000 0.299 381 T C 0.994 175.866 174.700 0.288 0.000 1.093 381 T CA -0.460 61.826 62.100 0.310 0.000 1.002 381 T CB 1.622 70.655 68.868 0.276 0.000 1.127 381 T HN 0.403 nan 8.240 nan 0.000 0.488 382 T N 1.788 116.479 114.554 0.228 0.000 3.155 382 T HA 0.161 4.511 4.350 -0.000 0.000 0.264 382 T C 1.591 176.316 174.700 0.040 0.000 1.160 382 T CA 1.329 63.587 62.100 0.264 0.000 1.075 382 T CB -0.710 68.278 68.868 0.200 0.000 0.921 382 T HN 0.702 nan 8.240 nan 0.000 0.533 383 A N 0.015 122.821 122.820 -0.023 0.000 2.195 383 A HA 0.313 4.633 4.320 -0.000 0.000 0.210 383 A C 2.187 179.674 177.584 -0.162 0.000 1.165 383 A CA 0.461 52.439 52.037 -0.098 0.000 0.806 383 A CB -0.116 18.818 19.000 -0.109 0.000 0.847 383 A HN 0.472 nan 8.150 nan 0.000 0.482 384 V N 0.018 119.833 119.914 -0.166 0.000 2.867 384 V HA -0.228 3.892 4.120 -0.000 0.000 0.260 384 V C 2.769 178.544 176.094 -0.532 0.000 1.099 384 V CA 1.536 63.657 62.300 -0.298 0.000 1.122 384 V CB -1.351 30.378 31.823 -0.157 0.000 0.708 384 V HN 0.551 nan 8.190 nan 0.000 0.490 385 A N -0.223 122.284 122.820 -0.521 0.000 2.125 385 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 385 A C 2.240 179.712 177.584 -0.187 0.000 1.156 385 A CA 1.657 53.450 52.037 -0.407 0.000 0.671 385 A CB -0.397 18.388 19.000 -0.359 0.000 0.794 385 A HN 0.607 nan 8.150 nan 0.000 0.459 386 E N -0.161 119.917 120.200 -0.204 0.000 2.051 386 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 386 E C 2.130 178.635 176.600 -0.158 0.000 0.991 386 E CA 1.025 57.340 56.400 -0.141 0.000 0.799 386 E CB -0.221 29.393 29.700 -0.143 0.000 0.748 386 E HN 0.592 nan 8.360 nan 0.000 0.449 387 A N -0.317 122.307 122.820 -0.327 0.000 2.121 387 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 387 A C 1.571 179.005 177.584 -0.251 0.000 1.154 387 A CA 0.688 52.465 52.037 -0.433 0.000 0.679 387 A CB -0.849 17.633 19.000 -0.863 0.000 0.795 387 A HN 0.484 nan 8.150 nan 0.000 0.458 388 W N -1.204 120.000 121.300 -0.161 0.000 2.584 388 W HA 0.159 4.819 4.660 -0.000 0.000 0.264 388 W C 2.306 178.771 176.519 -0.090 0.000 1.264 388 W CA 0.478 57.735 57.345 -0.148 0.000 1.306 388 W CB 0.326 29.641 29.460 -0.241 0.000 1.110 388 W HN 0.399 nan 8.180 nan 0.000 0.606 389 A N -0.196 122.728 122.820 0.172 0.000 2.167 389 A HA 0.098 4.418 4.320 -0.000 0.000 0.208 389 A C 1.741 179.404 177.584 0.133 0.000 1.198 389 A CA -0.018 52.088 52.037 0.116 0.000 0.863 389 A CB -0.243 18.791 19.000 0.056 0.000 0.904 389 A HN 0.111 nan 8.150 nan 0.000 0.484 390 R N -0.741 119.828 120.500 0.115 0.000 2.105 390 R HA -0.120 4.220 4.340 -0.000 0.000 0.239 390 R C 1.861 178.263 176.300 0.170 0.000 1.135 390 R CA 1.509 57.689 56.100 0.132 0.000 0.967 390 R CB -0.411 29.950 30.300 0.101 0.000 0.861 390 R HN 0.423 nan 8.270 nan 0.000 0.442 391 L N 0.969 122.309 121.223 0.195 0.000 2.023 391 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 391 L C 1.501 178.469 176.870 0.162 0.000 1.073 391 L CA 1.851 56.776 54.840 0.142 0.000 0.745 391 L CB -0.369 41.774 42.059 0.139 0.000 0.900 391 L HN 0.035 nan 8.230 nan 0.000 0.435 392 D N -1.702 118.793 120.400 0.159 0.000 2.182 392 D HA -0.234 4.406 4.640 -0.000 0.000 0.201 392 D C 1.970 178.424 176.300 0.256 0.000 0.986 392 D CA 1.160 55.240 54.000 0.133 0.000 0.847 392 D CB -0.083 40.734 40.800 0.029 0.000 0.942 392 D HN 0.533 nan 8.370 nan 0.000 0.467 393 H N 0.779 119.921 119.070 0.121 0.000 2.256 393 H HA -0.089 4.467 4.556 -0.000 0.000 0.299 393 H C 1.988 177.406 175.328 0.151 0.000 1.071 393 H CA 1.355 57.477 56.048 0.123 0.000 1.280 393 H CB 0.332 30.143 29.762 0.081 0.000 1.370 393 H HN -0.061 nan 8.280 nan 0.000 0.490 394 K N 0.020 120.469 120.400 0.082 0.000 2.049 394 K HA -0.272 4.048 4.320 -0.000 0.000 0.219 394 K C 2.049 178.710 176.600 0.102 0.000 1.056 394 K CA 2.223 58.509 56.287 -0.000 0.000 0.946 394 K CB -0.533 31.973 32.500 0.010 0.000 0.723 394 K HN 0.189 nan 8.250 nan 0.000 0.453 395 F N 2.207 122.208 119.950 0.085 0.000 2.008 395 F HA -0.402 4.125 4.527 -0.000 0.000 0.297 395 F C 2.011 177.961 175.800 0.249 0.000 1.156 395 F CA 2.084 60.209 58.000 0.209 0.000 1.191 395 F CB -0.454 38.622 39.000 0.127 0.000 0.955 395 F HN 0.126 nan 8.300 nan 0.000 0.497 396 D N 0.643 121.402 120.400 0.599 0.000 2.303 396 D HA -0.291 4.349 4.640 -0.000 0.000 0.190 396 D C 2.145 178.619 176.300 0.290 0.000 1.011 396 D CA 2.542 56.829 54.000 0.478 0.000 0.860 396 D CB -1.007 40.023 40.800 0.384 0.000 0.961 396 D HN 0.551 nan 8.370 nan 0.000 0.453 397 L N -2.218 119.105 121.223 0.166 0.000 2.552 397 L HA 0.150 4.490 4.340 -0.000 0.000 0.227 397 L C 2.210 179.124 176.870 0.074 0.000 1.146 397 L CA 0.536 55.434 54.840 0.097 0.000 0.858 397 L CB -0.242 41.827 42.059 0.016 0.000 0.969 397 L HN -0.011 nan 8.230 nan 0.000 0.451 398 M N -0.628 119.020 119.600 0.079 0.000 2.134 398 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 398 M C 2.206 178.620 176.300 0.190 0.000 1.076 398 M CA 1.759 57.116 55.300 0.095 0.000 1.143 398 M CB -0.300 32.285 32.600 -0.025 0.000 1.346 398 M HN 0.297 nan 8.290 nan 0.000 0.421 399 Y N 0.602 120.943 120.300 0.068 0.000 2.333 399 Y HA -0.109 4.441 4.550 -0.000 0.000 0.290 399 Y C 2.110 178.042 175.900 0.054 0.000 1.144 399 Y CA 1.295 59.393 58.100 -0.003 0.000 1.228 399 Y CB -0.225 38.080 38.460 -0.258 0.000 0.985 399 Y HN 0.244 nan 8.280 nan 0.000 0.542 400 A N -0.754 122.146 122.820 0.133 0.000 2.248 400 A HA -0.056 4.264 4.320 -0.000 0.000 0.210 400 A C 1.544 179.127 177.584 -0.001 0.000 1.174 400 A CA 1.239 53.327 52.037 0.085 0.000 0.750 400 A CB -0.344 18.728 19.000 0.120 0.000 0.780 400 A HN 0.406 nan 8.150 nan 0.000 0.478 401 K N -2.156 118.221 120.400 -0.038 0.000 2.609 401 K HA 0.229 4.549 4.320 -0.000 0.000 0.195 401 K C 0.411 176.957 176.600 -0.089 0.000 1.144 401 K CA -0.356 55.903 56.287 -0.047 0.000 1.084 401 K CB 0.734 33.237 32.500 0.005 0.000 0.877 401 K HN 0.077 nan 8.250 nan 0.000 0.540 402 R N -1.177 119.182 120.500 -0.234 0.000 3.997 402 R HA -0.305 4.035 4.340 -0.000 0.000 0.431 402 R C 1.049 177.368 176.300 0.031 0.000 1.066 402 R CA 1.217 57.138 56.100 -0.298 0.000 1.382 402 R CB -2.613 27.547 30.300 -0.234 0.000 1.978 402 R HN 0.428 nan 8.270 nan 0.000 0.550 403 A N -0.085 122.814 122.820 0.132 0.000 2.545 403 A HA -0.336 3.984 4.320 -0.000 0.000 0.266 403 A C 1.447 179.226 177.584 0.325 0.000 2.597 403 A CA 2.609 54.825 52.037 0.298 0.000 1.029 403 A CB -1.564 17.737 19.000 0.501 0.000 0.447 403 A HN 0.272 nan 8.150 nan 0.000 0.406 404 F N -1.353 118.757 119.950 0.266 0.000 2.727 404 F HA 0.226 4.753 4.527 -0.000 0.000 0.302 404 F C 2.081 178.122 175.800 0.401 0.000 1.097 404 F CA -0.025 58.169 58.000 0.323 0.000 1.330 404 F CB -0.507 38.605 39.000 0.187 0.000 1.084 404 F HN 0.229 nan 8.300 nan 0.000 0.578 405 V N 2.252 122.475 119.914 0.516 0.000 2.279 405 V HA -0.471 3.649 4.120 -0.000 0.000 0.258 405 V C 2.944 179.185 176.094 0.245 0.000 1.078 405 V CA 2.980 65.385 62.300 0.175 0.000 1.096 405 V CB -0.592 31.168 31.823 -0.106 0.000 0.740 405 V HN 0.615 nan 8.190 nan 0.000 0.465 406 H N -3.121 116.034 119.070 0.141 0.000 2.456 406 H HA -0.224 4.332 4.556 -0.000 0.000 0.296 406 H C 2.031 177.368 175.328 0.015 0.000 1.079 406 H CA 1.795 57.846 56.048 0.005 0.000 1.322 406 H CB -1.160 28.505 29.762 -0.163 0.000 1.388 406 H HN 0.673 nan 8.280 nan 0.000 0.538 407 W N 1.113 122.146 121.300 -0.445 0.000 2.424 407 W HA -0.116 4.544 4.660 -0.000 0.000 0.264 407 W C 1.373 177.811 176.519 -0.136 0.000 1.229 407 W CA 1.027 58.208 57.345 -0.274 0.000 1.208 407 W CB -0.258 28.988 29.460 -0.357 0.000 1.127 407 W HN 0.200 nan 8.180 nan 0.000 0.588 408 Y N -1.650 118.824 120.300 0.289 0.000 2.265 408 Y HA -0.078 4.472 4.550 -0.000 0.000 0.290 408 Y C 2.314 178.338 175.900 0.207 0.000 1.137 408 Y CA 0.659 58.952 58.100 0.323 0.000 1.147 408 Y CB -1.307 37.443 38.460 0.483 0.000 1.104 408 Y HN -0.356 nan 8.280 nan 0.000 0.514 409 V N 0.641 120.746 119.914 0.319 0.000 2.428 409 V HA -0.351 3.769 4.120 -0.000 0.000 0.255 409 V C 2.364 178.522 176.094 0.108 0.000 1.080 409 V CA 1.987 64.388 62.300 0.168 0.000 1.083 409 V CB -1.743 30.139 31.823 0.098 0.000 0.665 409 V HN 0.622 nan 8.190 nan 0.000 0.461 410 G N 0.099 108.952 108.800 0.089 0.000 2.484 410 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.215 410 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.215 410 G C 1.292 176.235 174.900 0.071 0.000 1.219 410 G CA 0.654 45.777 45.100 0.038 0.000 0.791 410 G HN 0.558 nan 8.290 nan 0.000 0.550 411 E N 0.849 121.124 120.200 0.125 0.000 2.510 411 E HA 0.057 4.407 4.350 -0.000 0.000 0.202 411 E C 1.695 178.368 176.600 0.123 0.000 1.072 411 E CA 0.742 57.228 56.400 0.144 0.000 0.883 411 E CB -0.105 29.716 29.700 0.201 0.000 0.818 411 E HN 0.595 nan 8.360 nan 0.000 0.548 412 G N 0.557 109.406 108.800 0.082 0.000 2.227 412 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.168 412 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.168 412 G C 0.250 175.075 174.900 -0.125 0.000 1.006 412 G CA -0.072 45.006 45.100 -0.036 0.000 0.684 412 G HN 0.104 nan 8.290 nan 0.000 0.489 413 M N 0.440 120.063 119.600 0.038 0.000 2.114 413 M HA 0.558 5.038 4.480 -0.000 0.000 0.293 413 M C 0.633 176.990 176.300 0.096 0.000 1.201 413 M CA 0.015 55.368 55.300 0.089 0.000 1.107 413 M CB 0.761 33.594 32.600 0.388 0.000 1.405 413 M HN 0.214 nan 8.290 nan 0.000 0.486 414 E N -0.103 120.180 120.200 0.138 0.000 2.222 414 E HA 0.102 4.452 4.350 -0.000 0.000 0.272 414 E C 0.211 176.915 176.600 0.173 0.000 0.982 414 E CA -0.261 56.213 56.400 0.123 0.000 0.842 414 E CB 1.187 30.948 29.700 0.102 0.000 1.144 414 E HN 0.562 nan 8.360 nan 0.000 0.397 415 E N 1.826 122.095 120.200 0.116 0.000 2.038 415 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 415 E C 1.670 178.376 176.600 0.177 0.000 1.000 415 E CA 1.204 57.677 56.400 0.120 0.000 0.803 415 E CB -0.197 29.552 29.700 0.081 0.000 0.750 415 E HN 0.783 nan 8.360 nan 0.000 0.448 416 G N 1.096 109.973 108.800 0.127 0.000 2.564 416 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 416 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 416 G C 1.243 176.200 174.900 0.095 0.000 1.124 416 G CA 0.885 46.044 45.100 0.098 0.000 0.764 416 G HN 0.271 nan 8.290 nan 0.000 0.550 417 E N -0.212 120.080 120.200 0.153 0.000 1.999 417 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 417 E C 1.936 178.579 176.600 0.071 0.000 0.995 417 E CA 0.541 57.028 56.400 0.146 0.000 0.825 417 E CB -0.311 29.533 29.700 0.240 0.000 0.777 417 E HN 0.266 nan 8.360 nan 0.000 0.459 418 F N 0.997 120.895 119.950 -0.085 0.000 2.063 418 F HA -0.346 4.181 4.527 -0.000 0.000 0.297 418 F C 2.917 178.528 175.800 -0.314 0.000 1.099 418 F CA 1.890 59.763 58.000 -0.212 0.000 1.220 418 F CB -0.950 37.923 39.000 -0.211 0.000 0.972 418 F HN 0.110 nan 8.300 nan 0.000 0.487 419 S N -0.929 114.760 115.700 -0.019 0.000 2.356 419 S HA -0.224 4.246 4.470 -0.000 0.000 0.223 419 S C 2.138 176.646 174.600 -0.153 0.000 1.032 419 S CA 1.497 59.642 58.200 -0.092 0.000 1.005 419 S CB -0.402 62.816 63.200 0.032 0.000 0.867 419 S HN 0.514 nan 8.310 nan 0.000 0.449 420 E N 0.489 120.604 120.200 -0.140 0.000 2.371 420 E HA 0.090 4.440 4.350 -0.000 0.000 0.194 420 E C 1.723 178.063 176.600 -0.434 0.000 1.012 420 E CA 0.777 57.055 56.400 -0.203 0.000 0.860 420 E CB -0.113 29.525 29.700 -0.104 0.000 0.811 420 E HN 0.483 nan 8.360 nan 0.000 0.502 421 A N 1.465 123.974 122.820 -0.517 0.000 1.903 421 A HA -0.042 4.278 4.320 -0.000 0.000 0.213 421 A C 2.271 179.452 177.584 -0.672 0.000 1.185 421 A CA 1.159 52.697 52.037 -0.832 0.000 0.628 421 A CB -0.378 18.309 19.000 -0.520 0.000 0.830 421 A HN 0.194 nan 8.150 nan 0.000 0.446 422 R N 0.520 120.646 120.500 -0.624 0.000 2.148 422 R HA -0.037 4.303 4.340 -0.000 0.000 0.227 422 R C 1.473 177.511 176.300 -0.435 0.000 1.103 422 R CA 1.641 57.339 56.100 -0.670 0.000 0.983 422 R CB -0.416 29.368 30.300 -0.859 0.000 0.874 422 R HN 0.594 nan 8.270 nan 0.000 0.451 423 E N -0.629 119.357 120.200 -0.357 0.000 2.511 423 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 423 E C 0.289 176.732 176.600 -0.261 0.000 1.066 423 E CA 0.541 56.790 56.400 -0.251 0.000 0.871 423 E CB 0.199 29.788 29.700 -0.185 0.000 0.863 423 E HN 0.353 nan 8.360 nan 0.000 0.520 424 D N -0.683 119.503 120.400 -0.357 0.000 2.463 424 D HA 0.008 4.648 4.640 -0.000 0.000 0.237 424 D C 1.756 177.892 176.300 -0.274 0.000 1.013 424 D CA 0.442 54.261 54.000 -0.301 0.000 0.910 424 D CB 0.338 40.919 40.800 -0.365 0.000 1.080 424 D HN -0.014 nan 8.370 nan 0.000 0.498 425 M N 0.628 120.018 119.600 -0.350 0.000 2.213 425 M HA 0.002 4.482 4.480 -0.000 0.000 0.263 425 M C 2.247 178.392 176.300 -0.258 0.000 1.062 425 M CA 0.939 56.019 55.300 -0.367 0.000 1.105 425 M CB -0.974 31.367 32.600 -0.432 0.000 1.385 425 M HN 0.092 nan 8.290 nan 0.000 0.417 426 A N 0.654 123.338 122.820 -0.227 0.000 1.917 426 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 426 A C 2.458 179.977 177.584 -0.107 0.000 1.182 426 A CA 2.410 54.358 52.037 -0.148 0.000 0.633 426 A CB -0.826 18.091 19.000 -0.138 0.000 0.819 426 A HN 0.502 nan 8.150 nan 0.000 0.448 427 A N -0.785 121.964 122.820 -0.119 0.000 1.855 427 A HA 0.096 4.416 4.320 -0.000 0.000 0.213 427 A C 2.187 179.738 177.584 -0.055 0.000 1.195 427 A CA 1.364 53.354 52.037 -0.078 0.000 0.610 427 A CB -0.693 18.259 19.000 -0.080 0.000 0.837 427 A HN 0.647 nan 8.150 nan 0.000 0.444 428 L N -0.099 121.070 121.223 -0.090 0.000 2.013 428 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 428 L C 2.429 179.346 176.870 0.077 0.000 1.073 428 L CA 2.259 57.074 54.840 -0.041 0.000 0.753 428 L CB -0.377 41.566 42.059 -0.193 0.000 0.890 428 L HN 0.487 nan 8.230 nan 0.000 0.432 429 E N -0.571 119.623 120.200 -0.010 0.000 2.118 429 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 429 E C 2.118 178.771 176.600 0.088 0.000 0.992 429 E CA 1.106 57.539 56.400 0.054 0.000 0.804 429 E CB -0.031 29.661 29.700 -0.013 0.000 0.741 429 E HN 0.398 nan 8.360 nan 0.000 0.458 430 K N 0.681 121.104 120.400 0.039 0.000 2.116 430 K HA -0.102 4.218 4.320 -0.000 0.000 0.203 430 K C 1.639 178.268 176.600 0.048 0.000 1.052 430 K CA 0.623 56.930 56.287 0.033 0.000 0.952 430 K CB 0.049 32.549 32.500 0.000 0.000 0.729 430 K HN 0.109 nan 8.250 nan 0.000 0.446 431 D N -0.124 120.304 120.400 0.047 0.000 2.104 431 D HA -0.196 4.444 4.640 -0.000 0.000 0.194 431 D C 1.819 178.136 176.300 0.029 0.000 0.994 431 D CA 1.333 55.342 54.000 0.016 0.000 0.830 431 D CB -0.156 40.650 40.800 0.010 0.000 0.959 431 D HN 0.157 nan 8.370 nan 0.000 0.452 432 Y N 1.507 121.841 120.300 0.057 0.000 2.181 432 Y HA -0.204 4.346 4.550 -0.000 0.000 0.253 432 Y C 2.576 178.500 175.900 0.040 0.000 1.066 432 Y CA 1.686 59.838 58.100 0.087 0.000 1.060 432 Y CB -0.412 38.130 38.460 0.138 0.000 1.002 432 Y HN -0.102 nan 8.280 nan 0.000 0.475 433 E N 0.645 121.015 120.200 0.283 0.000 2.312 433 E HA -0.359 3.991 4.350 -0.000 0.000 0.209 433 E C 1.810 178.460 176.600 0.083 0.000 1.047 433 E CA 1.909 58.392 56.400 0.137 0.000 0.840 433 E CB -0.204 29.548 29.700 0.086 0.000 0.738 433 E HN 0.640 nan 8.360 nan 0.000 0.478 434 E N -0.348 119.892 120.200 0.067 0.000 2.008 434 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 434 E C 2.266 178.877 176.600 0.019 0.000 0.986 434 E CA 1.192 57.608 56.400 0.027 0.000 0.807 434 E CB 0.030 29.732 29.700 0.003 0.000 0.766 434 E HN 0.155 nan 8.360 nan 0.000 0.450 435 V N 1.536 121.438 119.914 -0.021 0.000 2.317 435 V HA -0.244 3.876 4.120 -0.000 0.000 0.251 435 V C 1.567 177.718 176.094 0.096 0.000 1.065 435 V CA 1.466 63.766 62.300 -0.001 0.000 1.049 435 V CB -1.232 30.506 31.823 -0.142 0.000 0.651 435 V HN 0.357 nan 8.190 nan 0.000 0.450 436 G N -0.798 108.039 108.800 0.062 0.000 2.760 436 G HA2 0.280 4.239 3.960 -0.000 0.000 0.236 436 G HA3 0.280 4.239 3.960 -0.000 0.000 0.236 436 G C 0.424 175.340 174.900 0.027 0.000 1.243 436 G CA 0.011 45.138 45.100 0.045 0.000 0.850 436 G HN 1.139 nan 8.290 nan 0.000 0.595 437 A N 0.923 123.736 122.820 -0.012 0.000 2.291 437 A HA 0.000 4.320 4.320 -0.000 0.000 0.304 437 A C 0.323 177.913 177.584 0.009 0.000 0.929 437 A CA 1.699 53.724 52.037 -0.021 0.000 1.299 437 A CB -0.369 18.613 19.000 -0.029 0.000 0.702 437 A HN 0.936 nan 8.150 nan 0.000 0.303 438 D N -0.312 120.096 120.400 0.012 0.000 2.614 438 D HA 0.827 5.467 4.640 -0.000 0.000 0.264 438 D C -0.122 176.199 176.300 0.035 0.000 1.092 438 D CA 0.565 54.591 54.000 0.044 0.000 1.071 438 D CB 1.877 42.736 40.800 0.099 0.000 1.443 438 D HN 0.729 nan 8.370 nan 0.000 0.528 439 S N 0.000 115.727 115.700 0.044 0.000 2.498 439 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 439 S CA 0.000 58.222 58.200 0.036 0.000 1.107 439 S CB 0.000 63.214 63.200 0.024 0.000 0.593 439 S HN 0.000 nan 8.310 nan 0.000 0.517