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 2hiv_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEFKVIAEYF DKLEKISSRL QLTALLADLL SKSDKTIIDK VVYIIQGKLW DATA SEQUENCE PDFLGYPELG IGEKFLIKAI SIATNTDENS VENLYKTIGD LGEVARRLKS DATA SEQUENCE KQXXXXXXXX XXXXXKESLT VDEVYSTLSK VALTTGEGSR DLKIRLLAGL DATA SEQUENCE LKKADPLEAK FLVRFVEGRL RVGIGDATVL DAMAIAFGGG QSASEIIERA DATA SEQUENCE YNLRADLGNI AKIIVEKGIE ALKTLKPQVG IPIRPMLAER LSNPEEILKK DATA SEQUENCE MGGNAIVDYK YDGERAQIHK KEDKIFIFSR RLENITSQYP DVVDYVSKYI DATA SEQUENCE EGKEFIIEGE IVAIDPESGE MRPFQELMHR KRKSDIYEAI KEYPVNVFLF DATA SEQUENCE DLMYYEDVDY TTKPLEARRK LLESIVKPND YVKIAHHIQA NNVEDLKSFF DATA SEQUENCE YRAISEGGEG VMVKAIGKDA IYQAGARGWL WIKLKRDYQS EMADTVDLVV DATA SEQUENCE VGGFYGKGKR GGKISSLLMA AYNPKTDSFE SVCKVASGFS DEQLDELQKK DATA SEQUENCE LMEIKRDVKH PRVNSKMEPD IWVEPVYVAE IIGSEITISP LHTCCQDVVE DATA SEQUENCE KDAGLSIRFP RFIRWRDDKS PEDATTTDEI LEMYNKQPKK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.330 176.300 0.051 0.000 1.140 1 M CA 0.000 55.316 55.300 0.026 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 E N 2.646 122.875 120.200 0.048 0.000 2.266 2 E HA 0.238 4.595 4.350 0.011 0.000 0.277 2 E C -0.100 176.565 176.600 0.109 0.000 1.018 2 E CA -0.367 56.082 56.400 0.083 0.000 0.840 2 E CB 1.346 31.083 29.700 0.062 0.000 1.082 2 E HN 0.605 nan 8.360 nan 0.000 0.395 3 F N 3.167 123.134 119.950 0.028 0.000 2.333 3 F HA -0.150 4.384 4.527 0.011 0.000 0.300 3 F C 1.962 177.799 175.800 0.061 0.000 1.083 3 F CA 1.238 59.265 58.000 0.044 0.000 1.395 3 F CB 0.227 39.258 39.000 0.052 0.000 1.056 3 F HN 0.322 nan 8.300 nan 0.000 0.529 4 K N 0.588 121.002 120.400 0.022 0.000 2.113 4 K HA -0.129 4.198 4.320 0.011 0.000 0.208 4 K C 2.076 178.591 176.600 -0.140 0.000 1.047 4 K CA 1.480 57.746 56.287 -0.035 0.000 0.928 4 K CB -0.803 31.717 32.500 0.034 0.000 0.716 4 K HN 0.269 nan 8.250 nan 0.000 0.446 5 V N 1.086 120.916 119.914 -0.140 0.000 2.490 5 V HA -0.222 3.905 4.120 0.011 0.000 0.250 5 V C 2.314 178.265 176.094 -0.237 0.000 1.061 5 V CA 1.492 63.705 62.300 -0.146 0.000 1.064 5 V CB -0.335 31.423 31.823 -0.109 0.000 0.670 5 V HN 0.207 nan 8.190 nan 0.000 0.461 6 I N 0.261 120.585 120.570 -0.409 0.000 2.333 6 I HA -0.091 4.086 4.170 0.011 0.000 0.246 6 I C 2.686 178.508 176.117 -0.491 0.000 1.106 6 I CA 1.112 62.101 61.300 -0.519 0.000 1.411 6 I CB -0.566 37.054 38.000 -0.634 0.000 1.082 6 I HN 0.249 nan 8.210 nan 0.000 0.420 7 A N 0.604 123.104 122.820 -0.533 0.000 1.908 7 A HA -0.224 4.103 4.320 0.011 0.000 0.218 7 A C 2.240 179.712 177.584 -0.187 0.000 1.181 7 A CA 1.635 53.572 52.037 -0.167 0.000 0.627 7 A CB -0.459 18.578 19.000 0.061 0.000 0.818 7 A HN 0.331 nan 8.150 nan 0.000 0.445 8 E N -1.155 118.959 120.200 -0.143 0.000 2.077 8 E HA -0.200 4.156 4.350 0.011 0.000 0.193 8 E C 1.817 178.329 176.600 -0.146 0.000 0.989 8 E CA 1.557 57.900 56.400 -0.095 0.000 0.800 8 E CB -0.560 29.104 29.700 -0.061 0.000 0.746 8 E HN 0.844 nan 8.360 nan 0.000 0.452 9 Y N 0.629 120.734 120.300 -0.324 0.000 2.097 9 Y HA -0.255 4.302 4.550 0.011 0.000 0.282 9 Y C 2.142 177.807 175.900 -0.390 0.000 1.152 9 Y CA 1.721 59.596 58.100 -0.375 0.000 1.136 9 Y CB -0.877 37.283 38.460 -0.499 0.000 0.975 9 Y HN -0.054 nan 8.280 nan 0.000 0.498 10 F N 0.473 119.965 119.950 -0.764 0.000 2.134 10 F HA -0.208 4.326 4.527 0.011 0.000 0.299 10 F C 2.380 177.644 175.800 -0.893 0.000 1.097 10 F CA 1.457 58.818 58.000 -1.065 0.000 1.264 10 F CB -0.451 37.724 39.000 -1.375 0.000 1.001 10 F HN 0.160 nan 8.300 nan 0.000 0.479 11 D N 0.297 120.361 120.400 -0.560 0.000 2.097 11 D HA -0.160 4.487 4.640 0.011 0.000 0.195 11 D C 2.014 178.269 176.300 -0.076 0.000 0.989 11 D CA 1.451 55.398 54.000 -0.088 0.000 0.827 11 D CB -0.026 40.839 40.800 0.108 0.000 0.966 11 D HN 0.062 nan 8.370 nan 0.000 0.456 12 K N -0.427 119.890 120.400 -0.138 0.000 2.063 12 K HA -0.132 4.195 4.320 0.011 0.000 0.208 12 K C 2.018 178.540 176.600 -0.130 0.000 1.048 12 K CA 0.715 56.939 56.287 -0.105 0.000 0.928 12 K CB -0.299 32.146 32.500 -0.093 0.000 0.713 12 K HN 0.107 nan 8.250 nan 0.000 0.442 13 L N 2.203 123.275 121.223 -0.252 0.000 2.051 13 L HA -0.250 4.097 4.340 0.011 0.000 0.214 13 L C 1.720 178.526 176.870 -0.108 0.000 1.076 13 L CA 1.863 56.561 54.840 -0.238 0.000 0.758 13 L CB -0.342 41.447 42.059 -0.451 0.000 0.890 13 L HN 0.207 nan 8.230 nan 0.000 0.433 14 E N -0.858 119.304 120.200 -0.064 0.000 2.204 14 E HA -0.224 4.133 4.350 0.011 0.000 0.194 14 E C 1.907 178.508 176.600 0.002 0.000 0.989 14 E CA 1.173 57.574 56.400 0.002 0.000 0.824 14 E CB -0.017 29.724 29.700 0.068 0.000 0.756 14 E HN 0.553 nan 8.360 nan 0.000 0.477 15 K N 0.478 120.872 120.400 -0.010 0.000 2.352 15 K HA 0.131 4.458 4.320 0.011 0.000 0.194 15 K C 1.080 177.673 176.600 -0.012 0.000 1.038 15 K CA -0.027 56.258 56.287 -0.004 0.000 1.023 15 K CB 0.239 32.739 32.500 -0.000 0.000 0.840 15 K HN 0.144 nan 8.250 nan 0.000 0.519 16 I N -2.341 118.215 120.570 -0.024 0.000 2.532 16 I HA 0.186 4.363 4.170 0.011 0.000 0.292 16 I C 0.405 176.512 176.117 -0.017 0.000 1.014 16 I CA -0.027 61.260 61.300 -0.022 0.000 1.340 16 I CB 1.918 39.900 38.000 -0.029 0.000 1.422 16 I HN -0.227 nan 8.210 nan 0.000 0.528 17 S N 2.386 118.078 115.700 -0.013 0.000 2.666 17 S HA 0.126 4.602 4.470 0.011 0.000 0.239 17 S C 0.463 175.058 174.600 -0.010 0.000 1.031 17 S CA -0.160 58.034 58.200 -0.009 0.000 1.015 17 S CB 0.164 63.360 63.200 -0.007 0.000 0.981 17 S HN 0.819 nan 8.310 nan 0.000 0.547 18 S N 1.141 116.834 115.700 -0.012 0.000 2.442 18 S HA 0.453 4.930 4.470 0.011 0.000 0.297 18 S C 0.758 175.350 174.600 -0.014 0.000 1.131 18 S CA -0.592 57.601 58.200 -0.013 0.000 1.092 18 S CB 1.298 64.490 63.200 -0.014 0.000 0.998 18 S HN 0.244 nan 8.310 nan 0.000 0.478 19 R N 3.253 123.745 120.500 -0.013 0.000 2.120 19 R HA -0.002 4.345 4.340 0.011 0.000 0.234 19 R C 1.841 178.130 176.300 -0.020 0.000 1.123 19 R CA 1.748 57.839 56.100 -0.015 0.000 0.975 19 R CB -0.858 29.434 30.300 -0.015 0.000 0.866 19 R HN 0.703 nan 8.270 nan 0.000 0.446 20 L N 0.742 121.953 121.223 -0.020 0.000 1.988 20 L HA -0.119 4.228 4.340 0.011 0.000 0.207 20 L C 1.802 178.656 176.870 -0.026 0.000 1.071 20 L CA 1.917 56.742 54.840 -0.024 0.000 0.744 20 L CB -0.859 41.187 42.059 -0.022 0.000 0.893 20 L HN 0.288 nan 8.230 nan 0.000 0.433 21 Q N -0.645 119.141 119.800 -0.022 0.000 2.234 21 Q HA -0.205 4.142 4.340 0.011 0.000 0.206 21 Q C 2.294 178.282 176.000 -0.020 0.000 0.980 21 Q CA 1.575 57.364 55.803 -0.023 0.000 0.869 21 Q CB -0.242 28.484 28.738 -0.020 0.000 0.912 21 Q HN 0.607 nan 8.270 nan 0.000 0.436 22 L N -0.026 121.187 121.223 -0.016 0.000 2.023 22 L HA -0.158 4.189 4.340 0.011 0.000 0.205 22 L C 1.987 178.848 176.870 -0.015 0.000 1.073 22 L CA 1.418 56.255 54.840 -0.005 0.000 0.745 22 L CB -0.461 41.596 42.059 -0.003 0.000 0.900 22 L HN 0.225 nan 8.230 nan 0.000 0.435 23 T N 0.457 114.992 114.554 -0.032 0.000 2.665 23 T HA -0.223 4.134 4.350 0.011 0.000 0.268 23 T C 1.874 176.532 174.700 -0.070 0.000 1.035 23 T CA 1.565 63.632 62.100 -0.056 0.000 1.151 23 T CB -0.347 68.489 68.868 -0.055 0.000 0.862 23 T HN 0.563 nan 8.240 nan 0.000 0.438 24 A N 1.098 123.884 122.820 -0.056 0.000 1.877 24 A HA 0.020 4.347 4.320 0.011 0.000 0.216 24 A C 2.329 179.874 177.584 -0.065 0.000 1.186 24 A CA 1.157 53.157 52.037 -0.062 0.000 0.620 24 A CB -0.953 18.019 19.000 -0.047 0.000 0.822 24 A HN 0.467 nan 8.150 nan 0.000 0.443 25 L N -0.636 120.564 121.223 -0.039 0.000 1.990 25 L HA -0.225 4.122 4.340 0.011 0.000 0.213 25 L C 2.604 179.439 176.870 -0.059 0.000 1.072 25 L CA 1.864 56.694 54.840 -0.018 0.000 0.755 25 L CB -0.365 41.721 42.059 0.044 0.000 0.889 25 L HN 0.448 nan 8.230 nan 0.000 0.432 26 L N -0.885 120.291 121.223 -0.077 0.000 2.056 26 L HA -0.166 4.181 4.340 0.011 0.000 0.207 26 L C 2.801 179.535 176.870 -0.227 0.000 1.078 26 L CA 1.098 55.829 54.840 -0.182 0.000 0.749 26 L CB -0.663 41.305 42.059 -0.152 0.000 0.901 26 L HN 0.281 nan 8.230 nan 0.000 0.433 27 A N -0.030 122.670 122.820 -0.200 0.000 1.902 27 A HA -0.311 4.016 4.320 0.011 0.000 0.217 27 A C 1.950 179.386 177.584 -0.246 0.000 1.181 27 A CA 2.254 54.136 52.037 -0.258 0.000 0.623 27 A CB -0.749 18.127 19.000 -0.207 0.000 0.818 27 A HN 0.471 nan 8.150 nan 0.000 0.443 28 D N -0.698 119.599 120.400 -0.171 0.000 2.097 28 D HA -0.163 4.484 4.640 0.011 0.000 0.195 28 D C 1.877 178.088 176.300 -0.148 0.000 0.989 28 D CA 1.270 55.188 54.000 -0.136 0.000 0.827 28 D CB -0.105 40.638 40.800 -0.095 0.000 0.966 28 D HN 0.235 nan 8.370 nan 0.000 0.456 29 L N 0.571 121.686 121.223 -0.180 0.000 2.017 29 L HA -0.134 4.213 4.340 0.011 0.000 0.208 29 L C 2.149 178.907 176.870 -0.187 0.000 1.073 29 L CA 1.476 56.190 54.840 -0.210 0.000 0.745 29 L CB -0.829 41.024 42.059 -0.344 0.000 0.894 29 L HN 0.297 nan 8.230 nan 0.000 0.432 30 L N -0.017 121.074 121.223 -0.221 0.000 2.083 30 L HA -0.188 4.159 4.340 0.011 0.000 0.209 30 L C 2.744 179.595 176.870 -0.031 0.000 1.083 30 L CA 1.511 56.261 54.840 -0.149 0.000 0.752 30 L CB -0.558 41.311 42.059 -0.317 0.000 0.899 30 L HN 0.423 nan 8.230 nan 0.000 0.433 31 S N -1.044 114.562 115.700 -0.158 0.000 2.470 31 S HA -0.075 4.402 4.470 0.011 0.000 0.225 31 S C 1.701 176.329 174.600 0.047 0.000 1.006 31 S CA 0.276 58.470 58.200 -0.010 0.000 0.934 31 S CB -0.083 63.041 63.200 -0.126 0.000 0.778 31 S HN 0.320 nan 8.310 nan 0.000 0.517 32 K N 1.539 121.930 120.400 -0.014 0.000 2.417 32 K HA 0.332 4.658 4.320 0.011 0.000 0.196 32 K C -0.140 176.455 176.600 -0.007 0.000 1.023 32 K CA -0.184 56.095 56.287 -0.013 0.000 1.122 32 K CB 0.384 32.861 32.500 -0.039 0.000 0.850 32 K HN 0.201 nan 8.250 nan 0.000 0.521 33 S N 1.399 117.108 115.700 0.014 0.000 2.601 33 S HA -0.003 4.474 4.470 0.011 0.000 0.271 33 S C -0.212 174.400 174.600 0.019 0.000 1.305 33 S CA -0.636 57.570 58.200 0.010 0.000 1.022 33 S CB 0.843 64.056 63.200 0.023 0.000 0.940 33 S HN 0.200 nan 8.310 nan 0.000 0.525 34 D N 1.726 122.128 120.400 0.003 0.000 2.368 34 D HA -0.003 4.644 4.640 0.011 0.000 0.268 34 D C 1.230 177.520 176.300 -0.016 0.000 1.298 34 D CA -0.031 53.967 54.000 -0.004 0.000 0.938 34 D CB 0.447 41.245 40.800 -0.004 0.000 1.101 34 D HN 0.581 nan 8.370 nan 0.000 0.509 35 K N 1.467 121.850 120.400 -0.028 0.000 2.228 35 K HA -0.197 4.130 4.320 0.011 0.000 0.205 35 K C 1.413 177.970 176.600 -0.072 0.000 1.045 35 K CA 1.470 57.713 56.287 -0.074 0.000 0.931 35 K CB -0.396 32.048 32.500 -0.094 0.000 0.727 35 K HN 0.230 nan 8.250 nan 0.000 0.458 36 T N 1.686 116.212 114.554 -0.046 0.000 2.867 36 T HA -0.034 4.322 4.350 0.011 0.000 0.268 36 T C 1.534 176.209 174.700 -0.042 0.000 1.057 36 T CA 1.394 63.470 62.100 -0.040 0.000 1.136 36 T CB -0.308 68.546 68.868 -0.025 0.000 0.874 36 T HN 0.607 nan 8.240 nan 0.000 0.466 37 I N -1.877 118.667 120.570 -0.044 0.000 3.707 37 I HA 0.466 4.643 4.170 0.011 0.000 0.330 37 I C 1.352 177.434 176.117 -0.058 0.000 1.572 37 I CA -0.396 60.868 61.300 -0.060 0.000 1.104 37 I CB -0.184 37.779 38.000 -0.062 0.000 1.240 37 I HN -0.114 nan 8.210 nan 0.000 0.475 38 I N 3.330 123.871 120.570 -0.049 0.000 2.248 38 I HA -0.318 3.859 4.170 0.011 0.000 0.248 38 I C 2.247 178.347 176.117 -0.027 0.000 1.107 38 I CA 2.171 63.450 61.300 -0.034 0.000 1.373 38 I CB -0.253 37.710 38.000 -0.062 0.000 1.055 38 I HN 0.601 nan 8.210 nan 0.000 0.418 39 D N -0.031 120.358 120.400 -0.019 0.000 2.310 39 D HA -0.212 4.435 4.640 0.011 0.000 0.212 39 D C 1.733 178.079 176.300 0.078 0.000 0.965 39 D CA 1.188 55.212 54.000 0.040 0.000 0.879 39 D CB -0.298 40.541 40.800 0.065 0.000 0.921 39 D HN 0.431 nan 8.370 nan 0.000 0.510 40 K N 0.215 120.589 120.400 -0.043 0.000 2.168 40 K HA 0.093 4.420 4.320 0.011 0.000 0.201 40 K C 2.338 178.966 176.600 0.047 0.000 1.049 40 K CA 0.217 56.446 56.287 -0.097 0.000 0.974 40 K CB 0.158 32.358 32.500 -0.501 0.000 0.792 40 K HN -0.092 nan 8.250 nan 0.000 0.463 41 V N 2.358 122.269 119.914 -0.004 0.000 2.324 41 V HA -0.267 3.860 4.120 0.011 0.000 0.250 41 V C 2.431 178.501 176.094 -0.041 0.000 1.060 41 V CA 2.161 64.455 62.300 -0.010 0.000 1.042 41 V CB -0.668 31.126 31.823 -0.048 0.000 0.650 41 V HN 0.273 nan 8.190 nan 0.000 0.450 42 V N -2.500 117.356 119.914 -0.098 0.000 2.568 42 V HA -0.281 3.845 4.120 0.011 0.000 0.253 42 V C 2.015 177.914 176.094 -0.324 0.000 1.072 42 V CA 1.967 64.123 62.300 -0.241 0.000 1.084 42 V CB -1.170 30.456 31.823 -0.328 0.000 0.676 42 V HN 0.566 nan 8.190 nan 0.000 0.469 43 Y N -0.207 120.155 120.300 0.104 0.000 2.343 43 Y HA 0.300 4.857 4.550 0.012 0.000 0.294 43 Y C 2.361 178.394 175.900 0.222 0.000 1.122 43 Y CA 0.906 59.095 58.100 0.148 0.000 1.173 43 Y CB -0.058 38.500 38.460 0.164 0.000 1.077 43 Y HN 0.114 nan 8.280 nan 0.000 0.542 44 I N 1.047 121.863 120.570 0.409 0.000 2.151 44 I HA -0.346 3.831 4.170 0.011 0.000 0.243 44 I C 2.281 178.733 176.117 0.559 0.000 1.080 44 I CA 1.872 63.514 61.300 0.569 0.000 1.339 44 I CB -0.490 37.776 38.000 0.444 0.000 1.039 44 I HN 0.309 nan 8.210 nan 0.000 0.409 45 I N -1.304 119.394 120.570 0.213 0.000 2.756 45 I HA -0.231 3.946 4.170 0.011 0.000 0.262 45 I C 1.748 178.064 176.117 0.331 0.000 1.225 45 I CA 1.351 62.691 61.300 0.066 0.000 1.472 45 I CB -0.536 37.190 38.000 -0.457 0.000 1.094 45 I HN 0.342 nan 8.210 nan 0.000 0.454 46 Q N 1.696 121.657 119.800 0.269 0.000 2.360 46 Q HA 0.226 4.573 4.340 0.011 0.000 0.202 46 Q C 1.243 177.353 176.000 0.183 0.000 0.915 46 Q CA 0.516 56.457 55.803 0.229 0.000 0.943 46 Q CB 0.707 29.545 28.738 0.167 0.000 1.064 46 Q HN 0.798 nan 8.270 nan 0.000 0.511 47 G N 1.544 110.466 108.800 0.204 0.000 2.142 47 G HA2 -0.243 3.723 3.960 0.011 0.000 0.225 47 G HA3 -0.243 3.723 3.960 0.011 0.000 0.225 47 G C -0.232 174.322 174.900 -0.577 0.000 1.015 47 G CA 0.073 44.959 45.100 -0.355 0.000 0.716 47 G HN 0.192 nan 8.290 nan 0.000 0.508 48 K N -1.403 118.980 120.400 -0.028 0.000 2.433 48 K HA 0.759 5.086 4.320 0.011 0.000 0.252 48 K C 0.916 177.662 176.600 0.242 0.000 1.015 48 K CA -1.038 55.278 56.287 0.048 0.000 0.860 48 K CB 1.556 34.139 32.500 0.138 0.000 1.359 48 K HN -0.015 nan 8.250 nan 0.000 0.452 49 L N -0.278 120.825 121.223 -0.200 0.000 2.575 49 L HA 0.265 4.611 4.340 0.011 0.000 0.228 49 L C -0.565 176.194 176.870 -0.186 0.000 1.075 49 L CA 0.126 54.747 54.840 -0.365 0.000 0.867 49 L CB 0.329 41.594 42.059 -1.323 0.000 1.097 49 L HN 0.635 nan 8.230 nan 0.000 0.485 50 W N -2.213 119.047 121.300 -0.066 0.000 3.059 50 W HA 0.508 5.175 4.660 0.012 0.000 0.329 50 W C -3.027 172.968 176.519 -0.873 0.000 1.246 50 W CA -2.521 54.511 57.345 -0.523 0.000 1.190 50 W CB -0.904 28.461 29.460 -0.159 0.000 1.423 50 W HN -0.397 nan 8.180 nan 0.000 0.571 51 P HA 0.090 nan 4.420 nan 0.000 0.274 51 P C 0.458 177.534 177.300 -0.373 0.000 1.231 51 P CA 0.169 62.927 63.100 -0.569 0.000 0.790 51 P CB 1.327 32.697 31.700 -0.550 0.000 0.951 52 D N 1.022 121.363 120.400 -0.098 0.000 2.182 52 D HA -0.156 4.491 4.640 0.011 0.000 0.201 52 D C 1.566 177.826 176.300 -0.067 0.000 0.986 52 D CA 1.398 55.393 54.000 -0.008 0.000 0.847 52 D CB -0.729 40.135 40.800 0.107 0.000 0.942 52 D HN 0.526 nan 8.370 nan 0.000 0.467 53 F N -0.034 119.884 119.950 -0.052 0.000 2.451 53 F HA 0.053 4.587 4.527 0.011 0.000 0.299 53 F C 1.796 177.587 175.800 -0.014 0.000 1.101 53 F CA 0.379 58.353 58.000 -0.044 0.000 1.436 53 F CB -0.897 37.888 39.000 -0.357 0.000 1.074 53 F HN -0.107 nan 8.300 nan 0.000 0.553 54 L N 0.988 121.817 121.223 -0.657 0.000 2.275 54 L HA 0.122 4.469 4.340 0.011 0.000 0.215 54 L C 2.078 178.627 176.870 -0.535 0.000 1.119 54 L CA 1.027 55.419 54.840 -0.746 0.000 0.790 54 L CB -1.086 40.096 42.059 -1.462 0.000 0.919 54 L HN 0.551 nan 8.230 nan 0.000 0.443 55 G N -1.626 106.997 108.800 -0.296 0.000 2.143 55 G HA2 -0.289 3.677 3.960 0.011 0.000 0.248 55 G HA3 -0.289 3.677 3.960 0.011 0.000 0.248 55 G C -0.030 174.840 174.900 -0.050 0.000 0.991 55 G CA -0.325 44.721 45.100 -0.090 0.000 0.689 55 G HN 0.122 nan 8.290 nan 0.000 0.522 56 Y N 0.206 120.346 120.300 -0.266 0.000 2.326 56 Y HA 0.464 5.021 4.550 0.011 0.000 0.333 56 Y C -1.302 174.562 175.900 -0.061 0.000 1.240 56 Y CA -2.822 55.059 58.100 -0.364 0.000 1.365 56 Y CB -0.214 37.588 38.460 -1.097 0.000 1.289 56 Y HN -0.006 nan 8.280 nan 0.000 0.548 57 P HA -0.008 nan 4.420 nan 0.000 0.264 57 P C -0.755 176.746 177.300 0.334 0.000 1.183 57 P CA 0.191 63.410 63.100 0.198 0.000 0.763 57 P CB 0.388 32.170 31.700 0.138 0.000 0.807 58 E N 1.563 121.909 120.200 0.244 0.000 2.383 58 E HA 0.149 4.506 4.350 0.011 0.000 0.264 58 E C -0.011 176.700 176.600 0.185 0.000 1.050 58 E CA -0.639 55.899 56.400 0.231 0.000 0.896 58 E CB 0.518 30.306 29.700 0.146 0.000 0.982 58 E HN 0.410 nan 8.360 nan 0.000 0.424 59 L N 2.190 123.499 121.223 0.144 0.000 2.410 59 L HA 0.395 4.742 4.340 0.011 0.000 0.273 59 L C 0.164 177.086 176.870 0.086 0.000 1.144 59 L CA 0.348 55.250 54.840 0.103 0.000 0.863 59 L CB 0.040 42.154 42.059 0.092 0.000 1.140 59 L HN 0.750 nan 8.230 nan 0.000 0.463 60 G N 5.392 114.240 108.800 0.080 0.000 2.547 60 G HA2 0.466 4.433 3.960 0.011 0.000 0.291 60 G HA3 0.466 4.433 3.960 0.011 0.000 0.291 60 G C -2.158 172.789 174.900 0.078 0.000 1.471 60 G CA -0.488 44.655 45.100 0.071 0.000 0.798 60 G HN 0.622 nan 8.290 nan 0.000 0.504 61 I N -0.007 120.615 120.570 0.086 0.000 2.841 61 I HA 0.634 4.811 4.170 0.011 0.000 0.298 61 I C 0.692 176.889 176.117 0.135 0.000 1.304 61 I CA -0.833 60.549 61.300 0.138 0.000 1.019 61 I CB 1.948 40.028 38.000 0.132 0.000 1.282 61 I HN 0.956 nan 8.210 nan 0.000 0.432 62 G N 3.471 112.402 108.800 0.219 0.000 2.391 62 G HA2 -0.042 3.925 3.960 0.011 0.000 0.234 62 G HA3 -0.042 3.925 3.960 0.011 0.000 0.234 62 G C 0.503 175.336 174.900 -0.112 0.000 1.284 62 G CA 0.128 45.210 45.100 -0.030 0.000 0.873 62 G HN 0.919 nan 8.290 nan 0.000 0.549 63 E N 1.368 121.479 120.200 -0.147 0.000 2.118 63 E HA -0.159 4.198 4.350 0.011 0.000 0.195 63 E C 2.226 178.712 176.600 -0.189 0.000 0.992 63 E CA 1.313 57.631 56.400 -0.137 0.000 0.804 63 E CB -0.016 29.631 29.700 -0.088 0.000 0.741 63 E HN 0.636 nan 8.360 nan 0.000 0.458 64 K N -0.453 119.759 120.400 -0.315 0.000 2.097 64 K HA -0.143 4.184 4.320 0.011 0.000 0.206 64 K C 1.906 178.407 176.600 -0.165 0.000 1.049 64 K CA 1.490 57.598 56.287 -0.298 0.000 0.933 64 K CB -0.165 32.073 32.500 -0.437 0.000 0.717 64 K HN 0.232 nan 8.250 nan 0.000 0.442 65 F N 0.815 120.746 119.950 -0.032 0.000 2.206 65 F HA -0.127 4.407 4.527 0.011 0.000 0.298 65 F C 2.258 178.030 175.800 -0.048 0.000 1.090 65 F CA 0.224 58.204 58.000 -0.033 0.000 1.323 65 F CB -0.184 38.802 39.000 -0.024 0.000 1.028 65 F HN -0.046 nan 8.300 nan 0.000 0.492 66 L N 0.396 121.672 121.223 0.088 0.000 2.042 66 L HA -0.248 4.099 4.340 0.011 0.000 0.210 66 L C 2.337 179.183 176.870 -0.041 0.000 1.076 66 L CA 1.482 56.323 54.840 0.002 0.000 0.749 66 L CB -0.400 41.625 42.059 -0.058 0.000 0.893 66 L HN 0.184 nan 8.230 nan 0.000 0.432 67 I N -0.382 120.143 120.570 -0.075 0.000 2.286 67 I HA -0.326 3.851 4.170 0.011 0.000 0.248 67 I C 2.570 178.672 176.117 -0.024 0.000 1.115 67 I CA 0.998 62.248 61.300 -0.083 0.000 1.392 67 I CB -0.262 37.677 38.000 -0.101 0.000 1.065 67 I HN 0.204 nan 8.210 nan 0.000 0.418 68 K N 1.725 122.139 120.400 0.024 0.000 2.026 68 K HA -0.141 4.186 4.320 0.011 0.000 0.208 68 K C 2.070 178.683 176.600 0.021 0.000 1.048 68 K CA 1.927 58.240 56.287 0.044 0.000 0.929 68 K CB -0.584 31.979 32.500 0.105 0.000 0.713 68 K HN 0.261 nan 8.250 nan 0.000 0.439 69 A N 0.693 123.526 122.820 0.021 0.000 1.883 69 A HA -0.150 4.176 4.320 0.011 0.000 0.217 69 A C 2.339 179.913 177.584 -0.016 0.000 1.186 69 A CA 2.009 54.045 52.037 -0.001 0.000 0.624 69 A CB -0.790 18.208 19.000 -0.003 0.000 0.822 69 A HN 0.366 nan 8.150 nan 0.000 0.444 70 I N -0.172 120.382 120.570 -0.027 0.000 2.226 70 I HA -0.246 3.931 4.170 0.011 0.000 0.245 70 I C 2.896 178.999 176.117 -0.023 0.000 1.100 70 I CA 1.537 62.816 61.300 -0.034 0.000 1.374 70 I CB -0.313 37.653 38.000 -0.057 0.000 1.057 70 I HN 0.494 nan 8.210 nan 0.000 0.413 71 S N 1.474 117.163 115.700 -0.019 0.000 2.359 71 S HA -0.208 4.269 4.470 0.011 0.000 0.224 71 S C 2.104 176.701 174.600 -0.007 0.000 1.035 71 S CA 1.473 59.666 58.200 -0.010 0.000 1.018 71 S CB -0.541 62.656 63.200 -0.004 0.000 0.876 71 S HN 0.375 nan 8.310 nan 0.000 0.448 72 I N 1.958 122.524 120.570 -0.006 0.000 2.163 72 I HA -0.155 4.022 4.170 0.011 0.000 0.243 72 I C 2.995 179.106 176.117 -0.009 0.000 1.085 72 I CA 1.315 62.611 61.300 -0.007 0.000 1.347 72 I CB -0.596 37.399 38.000 -0.008 0.000 1.044 72 I HN 0.469 nan 8.210 nan 0.000 0.408 73 A N 0.170 122.983 122.820 -0.012 0.000 2.015 73 A HA -0.173 4.154 4.320 0.011 0.000 0.219 73 A C 2.221 179.800 177.584 -0.008 0.000 1.163 73 A CA 2.147 54.177 52.037 -0.012 0.000 0.646 73 A CB -0.878 18.112 19.000 -0.017 0.000 0.806 73 A HN 0.534 nan 8.150 nan 0.000 0.448 74 T N -4.805 109.744 114.554 -0.008 0.000 3.054 74 T HA 0.174 4.531 4.350 0.011 0.000 0.255 74 T C 0.564 175.262 174.700 -0.003 0.000 1.035 74 T CA 0.432 62.529 62.100 -0.005 0.000 0.941 74 T CB -0.335 68.529 68.868 -0.007 0.000 1.026 74 T HN 0.391 nan 8.240 nan 0.000 0.533 75 N N 1.607 120.305 118.700 -0.003 0.000 2.716 75 N HA -0.152 4.595 4.740 0.011 0.000 0.250 75 N C -0.981 174.529 175.510 -0.001 0.000 1.033 75 N CA 1.202 54.251 53.050 -0.002 0.000 0.727 75 N CB -1.557 36.929 38.487 -0.001 0.000 0.950 75 N HN 0.706 nan 8.380 nan 0.000 0.541 76 T N -0.196 114.357 114.554 -0.001 0.000 2.829 76 T HA 0.416 4.773 4.350 0.011 0.000 0.280 76 T C -0.253 174.447 174.700 0.001 0.000 0.999 76 T CA -0.791 61.309 62.100 0.000 0.000 0.983 76 T CB 1.471 70.339 68.868 -0.000 0.000 0.968 76 T HN 0.249 nan 8.240 nan 0.000 0.446 77 D N 1.179 121.581 120.400 0.003 0.000 2.368 77 D HA 0.055 4.702 4.640 0.011 0.000 0.240 77 D C 0.924 177.227 176.300 0.004 0.000 1.169 77 D CA -0.505 53.497 54.000 0.004 0.000 0.906 77 D CB 0.829 41.632 40.800 0.005 0.000 1.187 77 D HN 0.598 nan 8.370 nan 0.000 0.435 78 E N -0.180 120.023 120.200 0.006 0.000 2.153 78 E HA -0.231 4.125 4.350 0.011 0.000 0.194 78 E C 1.382 177.987 176.600 0.008 0.000 0.988 78 E CA 0.868 57.271 56.400 0.005 0.000 0.811 78 E CB -0.072 29.633 29.700 0.009 0.000 0.746 78 E HN 0.427 nan 8.360 nan 0.000 0.466 79 N N 0.255 118.961 118.700 0.010 0.000 2.069 79 N HA -0.175 4.572 4.740 0.011 0.000 0.191 79 N C 1.854 177.374 175.510 0.017 0.000 1.031 79 N CA 1.776 54.834 53.050 0.013 0.000 0.852 79 N CB -0.149 38.345 38.487 0.011 0.000 1.018 79 N HN 0.128 nan 8.380 nan 0.000 0.423 80 S N -0.744 114.964 115.700 0.013 0.000 2.368 80 S HA -0.082 4.394 4.470 0.011 0.000 0.225 80 S C 2.112 176.724 174.600 0.021 0.000 1.030 80 S CA 1.349 59.558 58.200 0.015 0.000 0.999 80 S CB -0.811 62.395 63.200 0.010 0.000 0.844 80 S HN 0.085 nan 8.310 nan 0.000 0.459 81 V N 2.082 122.005 119.914 0.014 0.000 2.295 81 V HA -0.163 3.964 4.120 0.011 0.000 0.246 81 V C 2.853 178.972 176.094 0.042 0.000 1.049 81 V CA 2.296 64.602 62.300 0.011 0.000 1.024 81 V CB -1.121 30.692 31.823 -0.017 0.000 0.648 81 V HN 0.541 nan 8.190 nan 0.000 0.447 82 E N 0.753 120.979 120.200 0.044 0.000 2.058 82 E HA -0.230 4.127 4.350 0.011 0.000 0.194 82 E C 2.088 178.753 176.600 0.107 0.000 0.997 82 E CA 1.785 58.236 56.400 0.086 0.000 0.801 82 E CB -0.206 29.526 29.700 0.053 0.000 0.746 82 E HN 0.559 nan 8.360 nan 0.000 0.450 83 N N -0.053 118.684 118.700 0.061 0.000 2.188 83 N HA -0.104 4.642 4.740 0.011 0.000 0.184 83 N C 1.766 177.305 175.510 0.048 0.000 1.018 83 N CA 0.793 53.869 53.050 0.043 0.000 0.858 83 N CB -0.185 38.317 38.487 0.024 0.000 0.989 83 N HN 0.233 nan 8.380 nan 0.000 0.426 84 L N -0.439 120.820 121.223 0.061 0.000 2.131 84 L HA -0.179 4.168 4.340 0.011 0.000 0.210 84 L C 2.139 179.077 176.870 0.113 0.000 1.092 84 L CA 1.025 55.904 54.840 0.064 0.000 0.759 84 L CB -0.519 41.572 42.059 0.054 0.000 0.903 84 L HN 0.267 nan 8.230 nan 0.000 0.435 85 Y N 1.290 121.578 120.300 -0.019 0.000 2.242 85 Y HA -0.247 4.309 4.550 0.011 0.000 0.291 85 Y C 2.660 178.548 175.900 -0.021 0.000 1.137 85 Y CA 1.104 59.191 58.100 -0.022 0.000 1.181 85 Y CB 0.201 38.647 38.460 -0.024 0.000 0.989 85 Y HN 0.092 nan 8.280 nan 0.000 0.527 86 K N -0.414 119.939 120.400 -0.079 0.000 2.009 86 K HA -0.196 4.131 4.320 0.011 0.000 0.210 86 K C 2.025 178.549 176.600 -0.128 0.000 1.049 86 K CA 2.138 58.329 56.287 -0.159 0.000 0.929 86 K CB -1.302 31.153 32.500 -0.074 0.000 0.714 86 K HN 0.444 nan 8.250 nan 0.000 0.440 87 T N -0.621 113.899 114.554 -0.058 0.000 2.951 87 T HA 0.009 4.365 4.350 0.011 0.000 0.268 87 T C 2.104 176.782 174.700 -0.037 0.000 1.073 87 T CA 0.711 62.786 62.100 -0.040 0.000 1.134 87 T CB -0.194 68.665 68.868 -0.016 0.000 0.884 87 T HN 0.133 nan 8.240 nan 0.000 0.479 88 I N 0.529 121.085 120.570 -0.024 0.000 2.731 88 I HA 0.320 4.497 4.170 0.011 0.000 0.260 88 I C 2.303 178.405 176.117 -0.026 0.000 1.138 88 I CA 0.631 61.929 61.300 -0.002 0.000 1.461 88 I CB -0.333 37.692 38.000 0.043 0.000 1.128 88 I HN 0.489 nan 8.210 nan 0.000 0.438 89 G N 1.417 110.157 108.800 -0.099 0.000 2.162 89 G HA2 -0.315 3.651 3.960 0.011 0.000 0.260 89 G HA3 -0.315 3.651 3.960 0.011 0.000 0.260 89 G C -0.073 174.837 174.900 0.017 0.000 0.976 89 G CA 0.556 45.544 45.100 -0.186 0.000 0.655 89 G HN 0.485 nan 8.290 nan 0.000 0.533 90 D N -1.250 119.273 120.400 0.205 0.000 2.763 90 D HA 0.487 5.134 4.640 0.011 0.000 0.235 90 D C 1.274 177.700 176.300 0.210 0.000 1.334 90 D CA -0.746 53.398 54.000 0.241 0.000 0.950 90 D CB 0.792 41.631 40.800 0.066 0.000 1.433 90 D HN -0.067 nan 8.370 nan 0.000 0.580 91 L N 2.790 124.060 121.223 0.077 0.000 2.201 91 L HA 0.093 4.440 4.340 0.011 0.000 0.212 91 L C 2.342 179.148 176.870 -0.107 0.000 1.105 91 L CA 1.355 56.085 54.840 -0.183 0.000 0.775 91 L CB -0.154 41.645 42.059 -0.434 0.000 0.913 91 L HN 0.666 nan 8.230 nan 0.000 0.440 92 G N -0.200 108.544 108.800 -0.093 0.000 2.459 92 G HA2 -0.351 3.616 3.960 0.011 0.000 0.217 92 G HA3 -0.351 3.616 3.960 0.011 0.000 0.217 92 G C 1.446 176.264 174.900 -0.136 0.000 1.183 92 G CA 1.003 46.020 45.100 -0.139 0.000 0.776 92 G HN 0.334 nan 8.290 nan 0.000 0.552 93 E N 0.168 120.309 120.200 -0.099 0.000 2.106 93 E HA -0.056 4.301 4.350 0.011 0.000 0.192 93 E C 2.626 179.205 176.600 -0.035 0.000 0.984 93 E CA 0.848 57.204 56.400 -0.074 0.000 0.806 93 E CB -0.401 29.273 29.700 -0.044 0.000 0.750 93 E HN 0.186 nan 8.360 nan 0.000 0.458 94 V N 1.165 121.074 119.914 -0.008 0.000 2.252 94 V HA -0.340 3.787 4.120 0.011 0.000 0.249 94 V C 2.435 178.515 176.094 -0.023 0.000 1.056 94 V CA 2.097 64.398 62.300 0.002 0.000 1.022 94 V CB -1.209 30.626 31.823 0.020 0.000 0.641 94 V HN 0.478 nan 8.190 nan 0.000 0.445 95 A N -0.382 122.410 122.820 -0.047 0.000 1.892 95 A HA -0.288 4.039 4.320 0.011 0.000 0.218 95 A C 2.423 179.989 177.584 -0.031 0.000 1.188 95 A CA 2.133 54.143 52.037 -0.044 0.000 0.631 95 A CB -0.639 18.327 19.000 -0.057 0.000 0.822 95 A HN 0.400 nan 8.150 nan 0.000 0.447 96 R N -0.339 120.135 120.500 -0.043 0.000 2.080 96 R HA -0.131 4.216 4.340 0.011 0.000 0.236 96 R C 2.441 178.734 176.300 -0.012 0.000 1.137 96 R CA 1.843 57.925 56.100 -0.030 0.000 0.943 96 R CB -0.423 29.844 30.300 -0.055 0.000 0.846 96 R HN 0.601 nan 8.270 nan 0.000 0.431 97 R N 0.124 120.616 120.500 -0.012 0.000 2.073 97 R HA -0.085 4.262 4.340 0.011 0.000 0.234 97 R C 2.475 178.775 176.300 0.000 0.000 1.134 97 R CA 1.295 57.394 56.100 -0.003 0.000 0.952 97 R CB -0.440 29.860 30.300 -0.000 0.000 0.850 97 R HN 0.242 nan 8.270 nan 0.000 0.433 98 L N 0.776 121.998 121.223 -0.003 0.000 2.201 98 L HA -0.142 4.205 4.340 0.011 0.000 0.212 98 L C 2.427 179.297 176.870 0.000 0.000 1.105 98 L CA 1.139 55.978 54.840 -0.001 0.000 0.775 98 L CB -0.282 41.773 42.059 -0.005 0.000 0.913 98 L HN 0.141 nan 8.230 nan 0.000 0.440 99 K N -0.042 120.359 120.400 0.001 0.000 2.062 99 K HA -0.077 4.249 4.320 0.011 0.000 0.205 99 K C 2.200 178.807 176.600 0.011 0.000 1.051 99 K CA 1.619 57.911 56.287 0.007 0.000 0.941 99 K CB -0.096 32.411 32.500 0.011 0.000 0.719 99 K HN 0.340 nan 8.250 nan 0.000 0.440 100 S N 1.347 117.054 115.700 0.011 0.000 2.603 100 S HA -0.039 4.438 4.470 0.011 0.000 0.220 100 S C 1.621 176.228 174.600 0.011 0.000 0.967 100 S CA 0.482 58.690 58.200 0.014 0.000 0.920 100 S CB -0.086 63.123 63.200 0.015 0.000 0.773 100 S HN 0.333 nan 8.310 nan 0.000 0.529 101 K N 0.983 121.388 120.400 0.008 0.000 2.361 101 K HA 0.084 4.411 4.320 0.011 0.000 0.196 101 K C 0.946 177.551 176.600 0.008 0.000 1.039 101 K CA 0.089 56.381 56.287 0.007 0.000 1.001 101 K CB -0.101 32.403 32.500 0.006 0.000 0.795 101 K HN 0.718 nan 8.250 nan 0.000 0.495 117 E N 2.657 122.868 120.200 0.018 0.000 2.299 117 E HA 0.351 4.708 4.350 0.011 0.000 0.272 117 E C 0.354 176.972 176.600 0.029 0.000 1.043 117 E CA 0.595 57.008 56.400 0.022 0.000 0.895 117 E CB 0.973 30.683 29.700 0.018 0.000 1.011 117 E HN 0.547 nan 8.360 nan 0.000 0.432 118 S N 3.787 119.510 115.700 0.038 0.000 2.592 118 S HA 0.248 4.724 4.470 0.011 0.000 0.271 118 S C 0.349 174.987 174.600 0.063 0.000 1.326 118 S CA -0.935 57.298 58.200 0.054 0.000 1.024 118 S CB 0.518 63.755 63.200 0.062 0.000 0.921 118 S HN 0.546 nan 8.310 nan 0.000 0.527 119 L N 2.844 124.115 121.223 0.081 0.000 2.540 119 L HA 0.121 4.467 4.340 0.011 0.000 0.276 119 L C 1.214 178.156 176.870 0.120 0.000 1.212 119 L CA -0.074 54.814 54.840 0.080 0.000 0.893 119 L CB 0.103 42.211 42.059 0.081 0.000 1.138 119 L HN 0.981 nan 8.230 nan 0.000 0.491 120 T N -0.275 114.329 114.554 0.084 0.000 2.922 120 T HA 0.267 4.624 4.350 0.011 0.000 0.285 120 T C 1.233 176.011 174.700 0.130 0.000 1.005 120 T CA -1.050 61.110 62.100 0.100 0.000 1.061 120 T CB 1.765 70.671 68.868 0.062 0.000 1.007 120 T HN 0.245 nan 8.240 nan 0.000 0.502 121 V N 1.403 121.418 119.914 0.168 0.000 2.392 121 V HA -0.152 3.975 4.120 0.011 0.000 0.249 121 V C 2.508 178.683 176.094 0.135 0.000 1.059 121 V CA 1.970 64.394 62.300 0.207 0.000 1.051 121 V CB -0.834 31.091 31.823 0.170 0.000 0.658 121 V HN 0.895 nan 8.190 nan 0.000 0.455 122 D N 0.232 120.689 120.400 0.095 0.000 2.104 122 D HA -0.201 4.446 4.640 0.011 0.000 0.194 122 D C 2.296 178.652 176.300 0.093 0.000 0.994 122 D CA 1.839 55.894 54.000 0.092 0.000 0.830 122 D CB -0.182 40.653 40.800 0.059 0.000 0.959 122 D HN 0.800 nan 8.370 nan 0.000 0.452 123 E N 0.364 120.590 120.200 0.044 0.000 2.072 123 E HA -0.104 4.253 4.350 0.011 0.000 0.190 123 E C 2.254 178.821 176.600 -0.055 0.000 0.982 123 E CA 0.841 57.242 56.400 0.001 0.000 0.803 123 E CB -0.478 29.215 29.700 -0.013 0.000 0.755 123 E HN 0.041 nan 8.360 nan 0.000 0.453 124 V N 0.918 120.769 119.914 -0.105 0.000 2.282 124 V HA -0.313 3.814 4.120 0.011 0.000 0.249 124 V C 2.296 178.271 176.094 -0.198 0.000 1.057 124 V CA 2.275 64.418 62.300 -0.262 0.000 1.032 124 V CB -0.829 30.695 31.823 -0.497 0.000 0.645 124 V HN 0.350 nan 8.190 nan 0.000 0.447 125 Y N 1.822 122.029 120.300 -0.154 0.000 2.114 125 Y HA -0.265 4.291 4.550 0.011 0.000 0.284 125 Y C 2.873 178.720 175.900 -0.087 0.000 1.143 125 Y CA 2.043 60.071 58.100 -0.119 0.000 1.135 125 Y CB -0.395 38.047 38.460 -0.030 0.000 0.980 125 Y HN 0.385 nan 8.280 nan 0.000 0.499 126 S N -1.606 114.115 115.700 0.036 0.000 2.382 126 S HA -0.186 4.291 4.470 0.011 0.000 0.228 126 S C 1.888 176.418 174.600 -0.117 0.000 1.027 126 S CA 1.621 59.811 58.200 -0.018 0.000 0.991 126 S CB -1.145 62.093 63.200 0.063 0.000 0.823 126 S HN 0.505 nan 8.310 nan 0.000 0.469 127 T N 3.276 117.753 114.554 -0.127 0.000 2.737 127 T HA 0.136 4.493 4.350 0.011 0.000 0.265 127 T C 1.776 176.368 174.700 -0.181 0.000 1.038 127 T CA 1.432 63.451 62.100 -0.135 0.000 1.144 127 T CB -0.567 68.222 68.868 -0.132 0.000 0.866 127 T HN 0.303 nan 8.240 nan 0.000 0.434 128 L N 1.039 122.101 121.223 -0.268 0.000 2.131 128 L HA -0.094 4.253 4.340 0.011 0.000 0.210 128 L C 2.846 179.543 176.870 -0.288 0.000 1.092 128 L CA 0.846 55.509 54.840 -0.294 0.000 0.759 128 L CB -0.709 41.103 42.059 -0.411 0.000 0.903 128 L HN 0.248 nan 8.230 nan 0.000 0.435 129 S N -0.126 115.345 115.700 -0.382 0.000 2.356 129 S HA -0.189 4.288 4.470 0.011 0.000 0.223 129 S C 1.955 176.540 174.600 -0.025 0.000 1.032 129 S CA 1.227 59.301 58.200 -0.210 0.000 1.005 129 S CB -0.151 62.925 63.200 -0.206 0.000 0.867 129 S HN 0.345 nan 8.310 nan 0.000 0.449 130 K N 0.701 121.058 120.400 -0.071 0.000 2.020 130 K HA -0.108 4.218 4.320 0.011 0.000 0.212 130 K C 2.103 178.682 176.600 -0.034 0.000 1.050 130 K CA 1.504 57.764 56.287 -0.045 0.000 0.929 130 K CB -0.605 31.861 32.500 -0.056 0.000 0.714 130 K HN 0.185 nan 8.250 nan 0.000 0.443 131 V N 1.231 121.114 119.914 -0.052 0.000 2.332 131 V HA -0.284 3.843 4.120 0.011 0.000 0.248 131 V C 2.361 178.460 176.094 0.007 0.000 1.055 131 V CA 2.079 64.358 62.300 -0.034 0.000 1.038 131 V CB -0.721 31.072 31.823 -0.050 0.000 0.651 131 V HN 0.390 nan 8.190 nan 0.000 0.450 132 A N -0.451 122.391 122.820 0.037 0.000 1.898 132 A HA -0.071 4.256 4.320 0.011 0.000 0.216 132 A C 2.140 179.796 177.584 0.120 0.000 1.181 132 A CA 1.609 53.723 52.037 0.128 0.000 0.620 132 A CB -0.371 18.790 19.000 0.268 0.000 0.819 132 A HN 0.522 nan 8.150 nan 0.000 0.442 133 L N -0.986 120.285 121.223 0.080 0.000 2.416 133 L HA 0.048 4.395 4.340 0.011 0.000 0.216 133 L C 1.336 178.193 176.870 -0.023 0.000 1.098 133 L CA 0.319 55.159 54.840 -0.000 0.000 0.840 133 L CB -0.376 41.643 42.059 -0.067 0.000 0.981 133 L HN 0.286 nan 8.230 nan 0.000 0.462 134 T N 1.151 115.695 114.554 -0.017 0.000 2.853 134 T HA 0.224 4.581 4.350 0.011 0.000 0.298 134 T C 0.131 174.816 174.700 -0.024 0.000 0.978 134 T CA 0.035 62.118 62.100 -0.029 0.000 1.152 134 T CB 0.150 68.997 68.868 -0.035 0.000 0.914 134 T HN 0.334 nan 8.240 nan 0.000 0.539 135 T N 1.996 116.533 114.554 -0.029 0.000 2.865 135 T HA 0.834 5.191 4.350 0.011 0.000 0.294 135 T C 0.511 175.194 174.700 -0.028 0.000 1.119 135 T CA -0.281 61.805 62.100 -0.023 0.000 1.007 135 T CB 1.330 70.188 68.868 -0.017 0.000 1.225 135 T HN 1.253 nan 8.240 nan 0.000 0.515 136 G N 0.654 109.440 108.800 -0.023 0.000 2.527 136 G HA2 -0.215 3.752 3.960 0.011 0.000 0.227 136 G HA3 -0.215 3.752 3.960 0.011 0.000 0.227 136 G C 0.628 175.508 174.900 -0.033 0.000 1.291 136 G CA 0.586 45.671 45.100 -0.025 0.000 0.904 136 G HN 1.038 nan 8.290 nan 0.000 0.577 137 E N 0.592 120.772 120.200 -0.033 0.000 2.046 137 E HA -0.004 4.353 4.350 0.011 0.000 0.190 137 E C 2.293 178.861 176.600 -0.054 0.000 0.982 137 E CA 1.689 58.066 56.400 -0.038 0.000 0.800 137 E CB -0.753 28.929 29.700 -0.030 0.000 0.756 137 E HN 1.037 nan 8.360 nan 0.000 0.449 138 G N 0.856 109.624 108.800 -0.054 0.000 3.181 138 G HA2 -0.066 3.901 3.960 0.011 0.000 0.219 138 G HA3 -0.066 3.901 3.960 0.011 0.000 0.219 138 G C 1.431 176.282 174.900 -0.082 0.000 1.182 138 G CA 0.549 45.610 45.100 -0.065 0.000 0.791 138 G HN 0.380 nan 8.290 nan 0.000 0.537 139 S N 0.491 116.141 115.700 -0.084 0.000 2.357 139 S HA -0.085 4.392 4.470 0.011 0.000 0.221 139 S C 2.181 176.696 174.600 -0.141 0.000 1.031 139 S CA 0.787 58.934 58.200 -0.090 0.000 0.982 139 S CB -0.321 62.841 63.200 -0.063 0.000 0.853 139 S HN 0.366 nan 8.310 nan 0.000 0.458 140 R N 1.782 122.156 120.500 -0.210 0.000 2.115 140 R HA -0.211 4.136 4.340 0.011 0.000 0.239 140 R C 1.445 177.543 176.300 -0.336 0.000 1.133 140 R CA 2.415 58.272 56.100 -0.404 0.000 0.935 140 R CB -1.020 28.920 30.300 -0.600 0.000 0.853 140 R HN 0.441 nan 8.270 nan 0.000 0.433 141 D N 0.612 120.870 120.400 -0.236 0.000 2.144 141 D HA -0.149 4.498 4.640 0.011 0.000 0.200 141 D C 1.961 178.190 176.300 -0.119 0.000 0.978 141 D CA 0.806 54.706 54.000 -0.166 0.000 0.833 141 D CB -0.224 40.504 40.800 -0.120 0.000 0.961 141 D HN 0.209 nan 8.370 nan 0.000 0.470 142 L N 1.527 122.687 121.223 -0.105 0.000 2.017 142 L HA -0.149 4.198 4.340 0.011 0.000 0.208 142 L C 2.033 178.857 176.870 -0.077 0.000 1.073 142 L CA 1.743 56.536 54.840 -0.079 0.000 0.745 142 L CB -0.288 41.730 42.059 -0.067 0.000 0.894 142 L HN -0.173 nan 8.230 nan 0.000 0.432 143 K N -0.357 119.990 120.400 -0.089 0.000 2.020 143 K HA -0.204 4.123 4.320 0.011 0.000 0.212 143 K C 2.108 178.671 176.600 -0.062 0.000 1.050 143 K CA 2.145 58.390 56.287 -0.069 0.000 0.929 143 K CB -0.474 31.987 32.500 -0.064 0.000 0.714 143 K HN 0.360 nan 8.250 nan 0.000 0.443 144 I N 0.828 121.349 120.570 -0.081 0.000 2.127 144 I HA -0.325 3.852 4.170 0.011 0.000 0.241 144 I C 2.628 178.719 176.117 -0.043 0.000 1.075 144 I CA 1.396 62.666 61.300 -0.050 0.000 1.334 144 I CB -0.276 37.687 38.000 -0.062 0.000 1.040 144 I HN 0.175 nan 8.210 nan 0.000 0.405 145 R N 0.489 120.957 120.500 -0.052 0.000 2.083 145 R HA -0.159 4.187 4.340 0.011 0.000 0.237 145 R C 2.367 178.640 176.300 -0.044 0.000 1.137 145 R CA 1.407 57.481 56.100 -0.044 0.000 0.951 145 R CB -0.470 29.803 30.300 -0.045 0.000 0.851 145 R HN 0.355 nan 8.270 nan 0.000 0.434 146 L N 0.652 121.844 121.223 -0.051 0.000 2.012 146 L HA -0.241 4.106 4.340 0.011 0.000 0.210 146 L C 2.480 179.313 176.870 -0.062 0.000 1.073 146 L CA 1.404 56.210 54.840 -0.056 0.000 0.748 146 L CB -0.507 41.515 42.059 -0.062 0.000 0.891 146 L HN 0.251 nan 8.230 nan 0.000 0.431 147 L N -0.638 120.551 121.223 -0.056 0.000 2.056 147 L HA -0.185 4.161 4.340 0.011 0.000 0.207 147 L C 2.903 179.743 176.870 -0.050 0.000 1.078 147 L CA 1.119 55.925 54.840 -0.057 0.000 0.749 147 L CB -0.756 41.279 42.059 -0.039 0.000 0.901 147 L HN 0.250 nan 8.230 nan 0.000 0.433 148 A N 0.494 123.291 122.820 -0.038 0.000 1.883 148 A HA -0.154 4.173 4.320 0.011 0.000 0.217 148 A C 2.410 179.974 177.584 -0.033 0.000 1.186 148 A CA 1.843 53.861 52.037 -0.031 0.000 0.624 148 A CB -1.333 17.652 19.000 -0.024 0.000 0.822 148 A HN 0.444 nan 8.150 nan 0.000 0.444 149 G N -0.395 108.383 108.800 -0.037 0.000 2.440 149 G HA2 -0.208 3.759 3.960 0.011 0.000 0.218 149 G HA3 -0.208 3.759 3.960 0.011 0.000 0.218 149 G C 1.599 176.472 174.900 -0.044 0.000 1.154 149 G CA 1.026 46.104 45.100 -0.036 0.000 0.767 149 G HN 0.419 nan 8.290 nan 0.000 0.552 150 L N -0.200 120.986 121.223 -0.062 0.000 1.994 150 L HA -0.016 4.331 4.340 0.011 0.000 0.208 150 L C 2.952 179.782 176.870 -0.066 0.000 1.071 150 L CA 0.923 55.712 54.840 -0.085 0.000 0.745 150 L CB -0.257 41.726 42.059 -0.127 0.000 0.892 150 L HN 0.221 nan 8.230 nan 0.000 0.431 151 L N -0.539 120.652 121.223 -0.052 0.000 2.131 151 L HA -0.247 4.099 4.340 0.011 0.000 0.210 151 L C 2.586 179.447 176.870 -0.015 0.000 1.092 151 L CA 1.076 55.897 54.840 -0.031 0.000 0.759 151 L CB -0.461 41.580 42.059 -0.030 0.000 0.903 151 L HN 0.273 nan 8.230 nan 0.000 0.435 152 K N 0.824 121.213 120.400 -0.018 0.000 2.026 152 K HA -0.240 4.087 4.320 0.011 0.000 0.208 152 K C 2.233 178.833 176.600 -0.001 0.000 1.048 152 K CA 1.542 57.824 56.287 -0.009 0.000 0.929 152 K CB 0.053 32.545 32.500 -0.012 0.000 0.713 152 K HN 0.043 nan 8.250 nan 0.000 0.439 153 K N 0.335 120.732 120.400 -0.007 0.000 2.155 153 K HA 0.018 4.345 4.320 0.011 0.000 0.203 153 K C 0.132 176.745 176.600 0.022 0.000 1.052 153 K CA 0.596 56.885 56.287 0.003 0.000 0.948 153 K CB -0.057 32.438 32.500 -0.009 0.000 0.728 153 K HN 0.227 nan 8.250 nan 0.000 0.448 154 A N 2.464 125.296 122.820 0.021 0.000 2.520 154 A HA -0.014 4.313 4.320 0.011 0.000 0.235 154 A C -0.109 177.516 177.584 0.069 0.000 1.065 154 A CA -0.106 51.968 52.037 0.061 0.000 0.764 154 A CB 0.032 19.066 19.000 0.057 0.000 1.002 154 A HN 0.550 nan 8.150 nan 0.000 0.502 155 D N 2.154 122.613 120.400 0.099 0.000 2.377 155 D HA 0.186 4.832 4.640 0.011 0.000 0.245 155 D C -1.962 174.390 176.300 0.087 0.000 1.196 155 D CA -1.533 52.518 54.000 0.084 0.000 0.962 155 D CB 0.177 41.031 40.800 0.089 0.000 1.127 155 D HN 0.133 nan 8.370 nan 0.000 0.471 156 P HA -0.176 nan 4.420 nan 0.000 0.215 156 P C 1.653 178.996 177.300 0.072 0.000 1.163 156 P CA 1.057 64.189 63.100 0.053 0.000 0.894 156 P CB 0.028 31.753 31.700 0.041 0.000 0.791 157 L N -0.352 120.940 121.223 0.115 0.000 2.093 157 L HA -0.136 4.211 4.340 0.011 0.000 0.208 157 L C 2.139 179.185 176.870 0.294 0.000 1.085 157 L CA 1.824 56.774 54.840 0.183 0.000 0.755 157 L CB -1.038 41.154 42.059 0.221 0.000 0.904 157 L HN -0.062 nan 8.230 nan 0.000 0.435 158 E N -0.543 119.835 120.200 0.296 0.000 2.077 158 E HA -0.243 4.113 4.350 0.011 0.000 0.193 158 E C 2.192 178.995 176.600 0.337 0.000 0.989 158 E CA 1.145 57.814 56.400 0.448 0.000 0.800 158 E CB -0.338 29.622 29.700 0.433 0.000 0.746 158 E HN 0.635 nan 8.360 nan 0.000 0.452 159 A N 1.871 124.789 122.820 0.164 0.000 1.908 159 A HA -0.268 4.059 4.320 0.011 0.000 0.218 159 A C 2.086 179.683 177.584 0.022 0.000 1.181 159 A CA 1.826 53.904 52.037 0.069 0.000 0.627 159 A CB -0.464 18.552 19.000 0.027 0.000 0.818 159 A HN 0.112 nan 8.150 nan 0.000 0.445 160 K N -1.310 119.065 120.400 -0.041 0.000 2.032 160 K HA -0.162 4.165 4.320 0.011 0.000 0.209 160 K C 1.576 177.995 176.600 -0.302 0.000 1.048 160 K CA 1.984 58.122 56.287 -0.248 0.000 0.927 160 K CB -0.331 31.900 32.500 -0.447 0.000 0.712 160 K HN 0.455 nan 8.250 nan 0.000 0.441 161 F N 0.740 120.771 119.950 0.134 0.000 2.512 161 F HA 0.033 4.567 4.527 0.011 0.000 0.296 161 F C 1.897 177.811 175.800 0.190 0.000 1.110 161 F CA 0.241 58.322 58.000 0.134 0.000 1.446 161 F CB 0.058 39.186 39.000 0.213 0.000 1.092 161 F HN -0.042 nan 8.300 nan 0.000 0.554 162 L N -0.768 120.636 121.223 0.302 0.000 2.056 162 L HA -0.189 4.158 4.340 0.011 0.000 0.207 162 L C 2.356 179.281 176.870 0.091 0.000 1.078 162 L CA 0.683 55.599 54.840 0.125 0.000 0.749 162 L CB -0.692 41.349 42.059 -0.031 0.000 0.901 162 L HN -0.034 nan 8.230 nan 0.000 0.433 163 V N -0.125 119.811 119.914 0.037 0.000 2.261 163 V HA -0.304 3.823 4.120 0.011 0.000 0.246 163 V C 2.621 178.728 176.094 0.022 0.000 1.047 163 V CA 1.825 64.124 62.300 -0.003 0.000 1.015 163 V CB -0.617 31.171 31.823 -0.059 0.000 0.642 163 V HN 0.408 nan 8.190 nan 0.000 0.446 164 R N -1.088 119.417 120.500 0.008 0.000 2.103 164 R HA -0.217 4.129 4.340 0.011 0.000 0.242 164 R C 2.248 178.569 176.300 0.034 0.000 1.142 164 R CA 2.185 58.285 56.100 0.000 0.000 0.960 164 R CB -0.630 29.655 30.300 -0.025 0.000 0.858 164 R HN 0.535 nan 8.270 nan 0.000 0.439 165 F N 1.010 120.931 119.950 -0.048 0.000 2.046 165 F HA -0.277 4.256 4.527 0.011 0.000 0.297 165 F C 2.250 178.030 175.800 -0.033 0.000 1.123 165 F CA 1.563 59.539 58.000 -0.041 0.000 1.199 165 F CB -0.173 38.837 39.000 0.016 0.000 0.972 165 F HN -0.256 nan 8.300 nan 0.000 0.474 166 V N 0.127 120.231 119.914 0.316 0.000 2.332 166 V HA -0.314 3.813 4.120 0.011 0.000 0.248 166 V C 2.063 178.205 176.094 0.080 0.000 1.055 166 V CA 2.247 64.652 62.300 0.176 0.000 1.038 166 V CB -0.759 31.115 31.823 0.085 0.000 0.651 166 V HN 0.371 nan 8.190 nan 0.000 0.450 167 E N -0.035 120.191 120.200 0.043 0.000 2.409 167 E HA 0.016 4.373 4.350 0.011 0.000 0.198 167 E C 1.611 178.209 176.600 -0.004 0.000 1.024 167 E CA 0.506 56.913 56.400 0.012 0.000 0.861 167 E CB -0.232 29.466 29.700 -0.004 0.000 0.788 167 E HN 0.709 nan 8.360 nan 0.000 0.521 168 G N 1.824 110.604 108.800 -0.033 0.000 2.273 168 G HA2 -0.324 3.643 3.960 0.011 0.000 0.280 168 G HA3 -0.324 3.643 3.960 0.011 0.000 0.280 168 G C 0.440 175.302 174.900 -0.065 0.000 1.047 168 G CA 0.460 45.513 45.100 -0.078 0.000 0.869 168 G HN 0.252 nan 8.290 nan 0.000 0.502 169 R N -0.991 119.471 120.500 -0.063 0.000 2.629 169 R HA 0.260 4.607 4.340 0.011 0.000 0.408 169 R C 0.574 176.841 176.300 -0.055 0.000 1.057 169 R CA -0.469 55.607 56.100 -0.040 0.000 1.119 169 R CB 0.513 30.805 30.300 -0.012 0.000 1.403 169 R HN 0.388 nan 8.270 nan 0.000 0.576 170 L N 2.507 123.659 121.223 -0.118 0.000 2.361 170 L HA 0.219 4.566 4.340 0.011 0.000 0.278 170 L C 0.562 177.379 176.870 -0.088 0.000 1.113 170 L CA -0.113 54.631 54.840 -0.160 0.000 0.849 170 L CB 0.417 42.240 42.059 -0.394 0.000 1.155 170 L HN -0.132 nan 8.230 nan 0.000 0.452 171 R N 4.015 124.497 120.500 -0.028 0.000 3.436 171 R HA 0.157 4.504 4.340 0.011 0.000 0.247 171 R C 0.772 177.083 176.300 0.018 0.000 1.434 171 R CA -0.206 55.892 56.100 -0.003 0.000 1.543 171 R CB 0.238 30.544 30.300 0.010 0.000 1.289 171 R HN 0.496 nan 8.270 nan 0.000 0.664 172 V N -0.063 119.872 119.914 0.035 0.000 2.323 172 V HA -0.033 4.094 4.120 0.011 0.000 0.244 172 V C 1.469 177.598 176.094 0.059 0.000 1.041 172 V CA 1.633 63.985 62.300 0.086 0.000 1.025 172 V CB -0.672 31.267 31.823 0.193 0.000 0.656 172 V HN 0.856 nan 8.190 nan 0.000 0.451 173 G N 1.592 110.422 108.800 0.050 0.000 2.295 173 G HA2 -0.265 3.701 3.960 0.011 0.000 0.287 173 G HA3 -0.265 3.701 3.960 0.011 0.000 0.287 173 G C -0.093 174.835 174.900 0.047 0.000 1.055 173 G CA 0.708 45.832 45.100 0.040 0.000 0.922 173 G HN 0.940 nan 8.290 nan 0.000 0.503 174 I N -2.426 118.184 120.570 0.066 0.000 2.582 174 I HA 0.935 5.111 4.170 0.011 0.000 0.292 174 I C 0.418 176.569 176.117 0.057 0.000 1.066 174 I CA -0.686 60.650 61.300 0.059 0.000 1.053 174 I CB 2.156 40.204 38.000 0.080 0.000 1.241 174 I HN 0.243 nan 8.210 nan 0.000 0.421 175 G N 3.298 112.117 108.800 0.032 0.000 3.075 175 G HA2 0.295 4.261 3.960 0.011 0.000 0.253 175 G HA3 0.295 4.261 3.960 0.011 0.000 0.253 175 G C -0.288 174.606 174.900 -0.011 0.000 1.353 175 G CA -0.300 44.821 45.100 0.034 0.000 1.051 175 G HN 0.658 nan 8.290 nan 0.000 0.553 176 D N -0.118 120.275 120.400 -0.012 0.000 2.123 176 D HA -0.102 4.544 4.640 0.011 0.000 0.196 176 D C 2.695 178.848 176.300 -0.245 0.000 0.992 176 D CA 1.680 55.605 54.000 -0.125 0.000 0.833 176 D CB -0.346 40.396 40.800 -0.097 0.000 0.954 176 D HN 0.364 nan 8.370 nan 0.000 0.455 177 A N 0.144 122.849 122.820 -0.192 0.000 1.908 177 A HA -0.212 4.114 4.320 0.011 0.000 0.218 177 A C 2.334 179.839 177.584 -0.131 0.000 1.181 177 A CA 2.351 54.281 52.037 -0.178 0.000 0.627 177 A CB -0.978 17.963 19.000 -0.097 0.000 0.818 177 A HN 0.272 nan 8.150 nan 0.000 0.445 178 T N -0.523 113.976 114.554 -0.091 0.000 2.746 178 T HA -0.095 4.262 4.350 0.011 0.000 0.267 178 T C 1.852 176.495 174.700 -0.095 0.000 1.039 178 T CA 1.544 63.602 62.100 -0.070 0.000 1.142 178 T CB -0.410 68.438 68.868 -0.033 0.000 0.866 178 T HN 0.174 nan 8.240 nan 0.000 0.444 179 V N 1.418 121.263 119.914 -0.116 0.000 2.379 179 V HA -0.053 4.074 4.120 0.011 0.000 0.245 179 V C 2.500 178.508 176.094 -0.145 0.000 1.044 179 V CA 1.225 63.442 62.300 -0.139 0.000 1.036 179 V CB -0.723 31.004 31.823 -0.160 0.000 0.664 179 V HN 0.407 nan 8.190 nan 0.000 0.453 180 L N 0.274 121.391 121.223 -0.177 0.000 2.012 180 L HA -0.254 4.092 4.340 0.011 0.000 0.210 180 L C 2.417 179.220 176.870 -0.111 0.000 1.073 180 L CA 2.280 57.025 54.840 -0.160 0.000 0.748 180 L CB -0.732 41.182 42.059 -0.241 0.000 0.891 180 L HN 0.434 nan 8.230 nan 0.000 0.431 181 D N -0.014 120.319 120.400 -0.111 0.000 2.116 181 D HA -0.230 4.416 4.640 0.011 0.000 0.193 181 D C 2.100 178.338 176.300 -0.103 0.000 0.998 181 D CA 1.552 55.498 54.000 -0.090 0.000 0.836 181 D CB 0.088 40.841 40.800 -0.078 0.000 0.951 181 D HN 0.283 nan 8.370 nan 0.000 0.449 182 A N -0.376 122.370 122.820 -0.124 0.000 1.969 182 A HA -0.073 4.254 4.320 0.011 0.000 0.218 182 A C 2.313 179.761 177.584 -0.226 0.000 1.169 182 A CA 1.167 53.105 52.037 -0.164 0.000 0.635 182 A CB -0.571 18.324 19.000 -0.174 0.000 0.810 182 A HN 0.336 nan 8.150 nan 0.000 0.445 183 M N -0.698 118.799 119.600 -0.171 0.000 2.175 183 M HA -0.118 4.369 4.480 0.011 0.000 0.264 183 M C 2.527 178.782 176.300 -0.075 0.000 1.063 183 M CA 1.230 56.454 55.300 -0.127 0.000 1.119 183 M CB -0.334 32.305 32.600 0.064 0.000 1.377 183 M HN 0.492 nan 8.290 nan 0.000 0.415 184 A N 0.558 123.344 122.820 -0.056 0.000 1.892 184 A HA -0.190 4.137 4.320 0.011 0.000 0.218 184 A C 1.874 179.416 177.584 -0.070 0.000 1.188 184 A CA 1.739 53.755 52.037 -0.036 0.000 0.631 184 A CB -0.654 18.323 19.000 -0.038 0.000 0.822 184 A HN 0.370 nan 8.150 nan 0.000 0.447 185 I N -0.309 120.187 120.570 -0.123 0.000 2.277 185 I HA -0.067 4.109 4.170 0.011 0.000 0.243 185 I C 2.850 178.852 176.117 -0.193 0.000 1.094 185 I CA 0.867 62.088 61.300 -0.132 0.000 1.393 185 I CB -1.174 36.748 38.000 -0.131 0.000 1.078 185 I HN 0.301 nan 8.210 nan 0.000 0.417 186 A N -0.835 121.770 122.820 -0.360 0.000 1.930 186 A HA -0.071 4.256 4.320 0.011 0.000 0.217 186 A C 2.018 179.322 177.584 -0.466 0.000 1.175 186 A CA 1.543 53.237 52.037 -0.572 0.000 0.627 186 A CB -0.611 17.764 19.000 -1.042 0.000 0.815 186 A HN 0.416 nan 8.150 nan 0.000 0.443 187 F N -2.543 117.381 119.950 -0.043 0.000 2.819 187 F HA 0.246 4.780 4.527 0.011 0.000 0.325 187 F C 2.192 177.975 175.800 -0.029 0.000 1.041 187 F CA 0.186 58.165 58.000 -0.036 0.000 1.184 187 F CB 0.402 39.380 39.000 -0.038 0.000 1.019 187 F HN 0.250 nan 8.300 nan 0.000 0.590 188 G N -0.351 108.523 108.800 0.124 0.000 3.042 188 G HA2 0.352 4.318 3.960 0.011 0.000 0.212 188 G HA3 0.352 4.318 3.960 0.011 0.000 0.212 188 G C 1.508 176.428 174.900 0.034 0.000 1.166 188 G CA 0.510 45.654 45.100 0.073 0.000 0.767 188 G HN 0.510 nan 8.290 nan 0.000 0.546 189 G N -1.588 107.224 108.800 0.019 0.000 2.199 189 G HA2 0.286 4.253 3.960 0.011 0.000 0.254 189 G HA3 0.286 4.253 3.960 0.011 0.000 0.254 189 G C 0.782 175.673 174.900 -0.013 0.000 0.982 189 G CA 0.613 45.714 45.100 0.003 0.000 0.632 189 G HN 1.994 nan 8.290 nan 0.000 0.529 190 G N -1.577 107.210 108.800 -0.021 0.000 2.350 190 G HA2 0.484 4.451 3.960 0.011 0.000 0.282 190 G HA3 0.484 4.451 3.960 0.011 0.000 0.282 190 G C 0.154 175.038 174.900 -0.028 0.000 1.314 190 G CA 0.685 45.767 45.100 -0.030 0.000 0.915 190 G HN 1.229 nan 8.290 nan 0.000 0.499 191 Q N 0.460 120.243 119.800 -0.029 0.000 2.234 191 Q HA -0.100 4.247 4.340 0.011 0.000 0.206 191 Q C 2.569 178.558 176.000 -0.018 0.000 0.980 191 Q CA 3.344 59.132 55.803 -0.026 0.000 0.869 191 Q CB -0.396 28.326 28.738 -0.026 0.000 0.912 191 Q HN 1.219 nan 8.270 nan 0.000 0.436 192 S N -0.843 114.849 115.700 -0.013 0.000 2.440 192 S HA -0.110 4.367 4.470 0.011 0.000 0.238 192 S C 1.904 176.503 174.600 -0.003 0.000 1.010 192 S CA 0.883 59.079 58.200 -0.007 0.000 0.972 192 S CB -0.574 62.623 63.200 -0.004 0.000 0.774 192 S HN 0.503 nan 8.310 nan 0.000 0.501 193 A N 1.163 123.982 122.820 -0.002 0.000 2.209 193 A HA 0.207 4.534 4.320 0.011 0.000 0.212 193 A C 2.236 179.822 177.584 0.003 0.000 1.158 193 A CA 0.953 52.994 52.037 0.006 0.000 0.742 193 A CB -0.796 18.212 19.000 0.014 0.000 0.790 193 A HN 0.541 nan 8.150 nan 0.000 0.472 194 S N -0.189 115.507 115.700 -0.006 0.000 2.356 194 S HA -0.191 4.286 4.470 0.011 0.000 0.223 194 S C 1.892 176.490 174.600 -0.003 0.000 1.032 194 S CA 1.415 59.608 58.200 -0.012 0.000 1.005 194 S CB -0.244 62.943 63.200 -0.020 0.000 0.867 194 S HN 0.765 nan 8.310 nan 0.000 0.449 195 E N 0.785 120.985 120.200 0.001 0.000 2.051 195 E HA -0.183 4.173 4.350 0.011 0.000 0.192 195 E C 2.134 178.743 176.600 0.015 0.000 0.991 195 E CA 1.488 57.892 56.400 0.006 0.000 0.799 195 E CB -0.246 29.457 29.700 0.004 0.000 0.748 195 E HN 0.656 nan 8.360 nan 0.000 0.449 196 I N -1.083 119.497 120.570 0.017 0.000 2.226 196 I HA -0.211 3.966 4.170 0.011 0.000 0.245 196 I C 2.177 178.314 176.117 0.034 0.000 1.100 196 I CA 1.387 62.701 61.300 0.023 0.000 1.374 196 I CB -0.370 37.642 38.000 0.021 0.000 1.057 196 I HN 0.027 nan 8.210 nan 0.000 0.413 197 I N 1.008 121.597 120.570 0.033 0.000 2.179 197 I HA -0.229 3.948 4.170 0.011 0.000 0.242 197 I C 2.626 178.781 176.117 0.063 0.000 1.088 197 I CA 1.701 63.027 61.300 0.044 0.000 1.357 197 I CB -0.546 37.471 38.000 0.028 0.000 1.051 197 I HN 0.295 nan 8.210 nan 0.000 0.409 198 E N 0.417 120.643 120.200 0.043 0.000 2.085 198 E HA -0.267 4.089 4.350 0.011 0.000 0.194 198 E C 2.301 178.965 176.600 0.107 0.000 0.994 198 E CA 1.033 57.474 56.400 0.069 0.000 0.801 198 E CB -0.174 29.544 29.700 0.030 0.000 0.743 198 E HN 0.317 nan 8.360 nan 0.000 0.453 199 R N 0.764 121.304 120.500 0.066 0.000 2.081 199 R HA -0.152 4.195 4.340 0.011 0.000 0.235 199 R C 2.195 178.532 176.300 0.063 0.000 1.131 199 R CA 1.415 57.548 56.100 0.055 0.000 0.960 199 R CB -0.231 30.090 30.300 0.035 0.000 0.856 199 R HN 0.168 nan 8.270 nan 0.000 0.436 200 A N 0.271 123.134 122.820 0.071 0.000 1.877 200 A HA -0.227 4.100 4.320 0.011 0.000 0.216 200 A C 2.069 179.701 177.584 0.080 0.000 1.186 200 A CA 1.375 53.449 52.037 0.062 0.000 0.620 200 A CB -1.006 18.030 19.000 0.061 0.000 0.822 200 A HN 0.626 nan 8.150 nan 0.000 0.443 201 Y N 1.456 121.755 120.300 -0.001 0.000 2.224 201 Y HA -0.235 4.322 4.550 0.012 0.000 0.289 201 Y C 2.107 178.000 175.900 -0.012 0.000 1.146 201 Y CA 2.079 60.177 58.100 -0.002 0.000 1.182 201 Y CB -0.242 38.222 38.460 0.007 0.000 0.983 201 Y HN 0.326 nan 8.280 nan 0.000 0.524 202 N N 0.432 119.169 118.700 0.062 0.000 2.223 202 N HA -0.166 4.581 4.740 0.011 0.000 0.185 202 N C 1.757 177.216 175.510 -0.084 0.000 1.016 202 N CA 1.616 54.652 53.050 -0.024 0.000 0.863 202 N CB -0.420 38.097 38.487 0.051 0.000 0.983 202 N HN 0.440 nan 8.380 nan 0.000 0.429 203 L N -0.740 120.447 121.223 -0.060 0.000 2.270 203 L HA 0.089 4.436 4.340 0.011 0.000 0.210 203 L C 0.886 177.666 176.870 -0.150 0.000 1.104 203 L CA 0.444 55.244 54.840 -0.067 0.000 0.804 203 L CB 0.187 42.234 42.059 -0.020 0.000 0.937 203 L HN -0.015 nan 8.230 nan 0.000 0.450 204 R N 0.182 120.559 120.500 -0.205 0.000 2.850 204 R HA 0.305 4.652 4.340 0.011 0.000 0.266 204 R C -0.627 175.447 176.300 -0.377 0.000 1.782 204 R CA -0.192 55.753 56.100 -0.258 0.000 1.310 204 R CB 1.112 31.324 30.300 -0.146 0.000 1.337 204 R HN -0.022 nan 8.270 nan 0.000 0.546 205 A N 2.737 125.204 122.820 -0.590 0.000 3.074 205 A HA 0.096 4.422 4.320 0.011 0.000 0.251 205 A C -0.335 177.035 177.584 -0.358 0.000 1.695 205 A CA 0.097 51.564 52.037 -0.950 0.000 1.343 205 A CB -0.213 18.303 19.000 -0.807 0.000 1.078 205 A HN 0.522 nan 8.150 nan 0.000 0.644 206 D N 1.127 121.503 120.400 -0.039 0.000 2.389 206 D HA 0.219 4.866 4.640 0.011 0.000 0.256 206 D C 0.858 177.391 176.300 0.389 0.000 1.239 206 D CA -0.456 53.753 54.000 0.348 0.000 0.925 206 D CB 0.566 41.535 40.800 0.282 0.000 1.145 206 D HN 0.214 nan 8.370 nan 0.000 0.542 207 L N 2.530 124.058 121.223 0.508 0.000 2.043 207 L HA -0.143 4.204 4.340 0.011 0.000 0.212 207 L C 2.169 179.117 176.870 0.130 0.000 1.075 207 L CA 1.962 56.947 54.840 0.241 0.000 0.752 207 L CB -0.134 41.865 42.059 -0.100 0.000 0.891 207 L HN 0.519 nan 8.230 nan 0.000 0.432 208 G N -0.749 108.204 108.800 0.255 0.000 2.402 208 G HA2 -0.313 3.654 3.960 0.011 0.000 0.216 208 G HA3 -0.313 3.654 3.960 0.011 0.000 0.216 208 G C 1.421 176.408 174.900 0.146 0.000 1.162 208 G CA 0.688 45.915 45.100 0.211 0.000 0.777 208 G HN 0.366 nan 8.290 nan 0.000 0.539 209 N N 0.834 119.637 118.700 0.172 0.000 2.120 209 N HA -0.118 4.629 4.740 0.011 0.000 0.188 209 N C 2.139 177.692 175.510 0.071 0.000 1.024 209 N CA 1.027 54.141 53.050 0.106 0.000 0.852 209 N CB -0.161 38.386 38.487 0.100 0.000 1.003 209 N HN 0.167 nan 8.380 nan 0.000 0.424 210 I N 1.516 122.144 120.570 0.097 0.000 2.252 210 I HA -0.128 4.049 4.170 0.011 0.000 0.245 210 I C 2.562 178.701 176.117 0.037 0.000 1.102 210 I CA 0.821 62.167 61.300 0.077 0.000 1.385 210 I CB -1.805 36.274 38.000 0.131 0.000 1.064 210 I HN 0.074 nan 8.210 nan 0.000 0.414 211 A N 1.037 123.876 122.820 0.032 0.000 1.858 211 A HA -0.207 4.120 4.320 0.011 0.000 0.216 211 A C 2.348 179.876 177.584 -0.094 0.000 1.190 211 A CA 1.477 53.505 52.037 -0.014 0.000 0.617 211 A CB -0.506 18.497 19.000 0.004 0.000 0.827 211 A HN 0.251 nan 8.150 nan 0.000 0.443 212 K N -0.383 119.986 120.400 -0.052 0.000 2.052 212 K HA -0.213 4.114 4.320 0.011 0.000 0.215 212 K C 1.909 178.464 176.600 -0.076 0.000 1.053 212 K CA 1.969 58.218 56.287 -0.063 0.000 0.934 212 K CB -0.684 31.806 32.500 -0.016 0.000 0.717 212 K HN 0.620 nan 8.250 nan 0.000 0.450 213 I N 0.825 121.369 120.570 -0.044 0.000 2.142 213 I HA -0.293 3.884 4.170 0.011 0.000 0.240 213 I C 2.435 178.509 176.117 -0.071 0.000 1.078 213 I CA 1.147 62.422 61.300 -0.042 0.000 1.343 213 I CB -0.324 37.668 38.000 -0.014 0.000 1.046 213 I HN 0.097 nan 8.210 nan 0.000 0.405 214 I N 0.022 120.543 120.570 -0.082 0.000 2.151 214 I HA -0.321 3.856 4.170 0.011 0.000 0.243 214 I C 2.558 178.543 176.117 -0.220 0.000 1.080 214 I CA 1.471 62.705 61.300 -0.110 0.000 1.339 214 I CB -0.432 37.519 38.000 -0.082 0.000 1.039 214 I HN 0.052 nan 8.210 nan 0.000 0.409 215 V N 0.482 120.188 119.914 -0.347 0.000 2.307 215 V HA -0.245 3.881 4.120 0.011 0.000 0.245 215 V C 2.333 178.296 176.094 -0.218 0.000 1.045 215 V CA 1.938 63.984 62.300 -0.423 0.000 1.024 215 V CB -0.496 31.035 31.823 -0.487 0.000 0.651 215 V HN 0.434 nan 8.190 nan 0.000 0.449 216 E N -0.175 119.936 120.200 -0.149 0.000 2.051 216 E HA -0.116 4.241 4.350 0.011 0.000 0.189 216 E C 1.899 178.458 176.600 -0.068 0.000 0.979 216 E CA 0.916 57.261 56.400 -0.092 0.000 0.803 216 E CB -0.010 29.650 29.700 -0.067 0.000 0.761 216 E HN 0.525 nan 8.360 nan 0.000 0.451 217 K N -0.161 120.202 120.400 -0.061 0.000 2.358 217 K HA 0.225 4.551 4.320 0.011 0.000 0.200 217 K C 0.275 176.854 176.600 -0.036 0.000 1.030 217 K CA 0.278 56.542 56.287 -0.039 0.000 1.097 217 K CB 1.628 34.112 32.500 -0.027 0.000 0.862 217 K HN 0.175 nan 8.250 nan 0.000 0.534 218 G N 1.605 110.375 108.800 -0.051 0.000 2.781 218 G HA2 -0.229 3.738 3.960 0.011 0.000 0.683 218 G HA3 -0.229 3.738 3.960 0.011 0.000 0.683 218 G C 0.417 175.306 174.900 -0.017 0.000 1.390 218 G CA -0.696 44.384 45.100 -0.033 0.000 0.850 218 G HN -0.015 nan 8.290 nan 0.000 0.557 219 I N 0.666 121.238 120.570 0.003 0.000 2.226 219 I HA -0.112 4.065 4.170 0.011 0.000 0.245 219 I C 2.631 178.755 176.117 0.012 0.000 1.100 219 I CA 2.098 63.408 61.300 0.016 0.000 1.374 219 I CB -0.867 37.152 38.000 0.030 0.000 1.057 219 I HN 0.642 nan 8.210 nan 0.000 0.413 220 E N 0.966 121.170 120.200 0.008 0.000 2.209 220 E HA -0.169 4.188 4.350 0.011 0.000 0.196 220 E C 2.213 178.816 176.600 0.006 0.000 0.993 220 E CA 1.224 57.629 56.400 0.007 0.000 0.819 220 E CB -0.213 29.490 29.700 0.005 0.000 0.745 220 E HN 0.478 nan 8.360 nan 0.000 0.477 221 A N 0.749 123.571 122.820 0.002 0.000 2.125 221 A HA -0.085 4.242 4.320 0.011 0.000 0.219 221 A C 2.229 179.817 177.584 0.007 0.000 1.156 221 A CA 0.642 52.680 52.037 0.002 0.000 0.671 221 A CB -0.464 18.533 19.000 -0.005 0.000 0.794 221 A HN 0.179 nan 8.150 nan 0.000 0.459 222 L N -1.137 120.093 121.223 0.011 0.000 2.240 222 L HA -0.081 4.265 4.340 0.011 0.000 0.211 222 L C 2.307 179.188 176.870 0.019 0.000 1.106 222 L CA 0.916 55.767 54.840 0.017 0.000 0.793 222 L CB -0.331 41.743 42.059 0.025 0.000 0.927 222 L HN 0.335 nan 8.230 nan 0.000 0.446 223 K N -0.153 120.257 120.400 0.016 0.000 2.209 223 K HA -0.126 4.201 4.320 0.011 0.000 0.204 223 K C 1.760 178.370 176.600 0.016 0.000 1.048 223 K CA 1.777 58.074 56.287 0.016 0.000 0.940 223 K CB -0.075 32.433 32.500 0.013 0.000 0.729 223 K HN 0.416 nan 8.250 nan 0.000 0.451 224 T N -1.274 113.289 114.554 0.015 0.000 3.069 224 T HA 0.133 4.490 4.350 0.011 0.000 0.252 224 T C 0.614 175.327 174.700 0.021 0.000 1.053 224 T CA -0.476 61.634 62.100 0.016 0.000 0.964 224 T CB 0.105 68.981 68.868 0.013 0.000 1.005 224 T HN -0.065 nan 8.240 nan 0.000 0.532 225 L N 2.399 123.633 121.223 0.019 0.000 2.578 225 L HA 0.255 4.602 4.340 0.011 0.000 0.279 225 L C -0.065 176.820 176.870 0.025 0.000 1.227 225 L CA 1.014 55.865 54.840 0.018 0.000 0.900 225 L CB 0.275 42.342 42.059 0.014 0.000 1.144 225 L HN 0.365 nan 8.230 nan 0.000 0.496 226 K N 5.283 125.701 120.400 0.030 0.000 2.295 226 K HA 0.536 4.862 4.320 0.011 0.000 0.239 226 K C -2.379 174.215 176.600 -0.009 0.000 0.991 226 K CA -1.788 54.533 56.287 0.056 0.000 0.845 226 K CB 1.173 33.755 32.500 0.135 0.000 1.197 226 K HN 0.419 nan 8.250 nan 0.000 0.441 227 P HA -0.105 nan 4.420 nan 0.000 0.267 227 P C -1.321 175.755 177.300 -0.373 0.000 1.201 227 P CA 0.099 63.073 63.100 -0.209 0.000 0.775 227 P CB 0.419 31.973 31.700 -0.243 0.000 0.854 228 Q N 1.565 121.151 119.800 -0.358 0.000 2.327 228 Q HA 0.339 4.686 4.340 0.011 0.000 0.270 228 Q C -1.139 174.644 176.000 -0.362 0.000 1.022 228 Q CA -0.863 54.727 55.803 -0.355 0.000 0.773 228 Q CB 1.004 29.622 28.738 -0.200 0.000 1.251 228 Q HN 0.117 nan 8.270 nan 0.000 0.457 229 V N 3.869 123.524 119.914 -0.432 0.000 2.584 229 V HA 0.159 4.286 4.120 0.011 0.000 0.303 229 V C 1.384 177.384 176.094 -0.156 0.000 1.035 229 V CA 1.834 63.987 62.300 -0.245 0.000 1.172 229 V CB 0.319 32.013 31.823 -0.214 0.000 0.896 229 V HN 1.154 nan 8.190 nan 0.000 0.486 230 G N 4.581 113.343 108.800 -0.064 0.000 2.278 230 G HA2 -0.184 3.783 3.960 0.011 0.000 0.210 230 G HA3 -0.184 3.783 3.960 0.011 0.000 0.210 230 G C -0.061 174.507 174.900 -0.553 0.000 1.000 230 G CA -0.110 44.598 45.100 -0.653 0.000 0.635 230 G HN 0.598 nan 8.290 nan 0.000 0.495 231 I N 3.219 123.504 120.570 -0.474 0.000 2.362 231 I HA 0.366 4.543 4.170 0.011 0.000 0.289 231 I C -2.223 173.433 176.117 -0.768 0.000 0.994 231 I CA -2.475 58.332 61.300 -0.820 0.000 1.158 231 I CB 2.190 39.878 38.000 -0.520 0.000 1.315 231 I HN -0.129 nan 8.210 nan 0.000 0.451 232 P HA 0.190 nan 4.420 nan 0.000 0.269 232 P C -0.460 176.561 177.300 -0.465 0.000 1.209 232 P CA 0.083 62.679 63.100 -0.839 0.000 0.776 232 P CB 0.738 31.788 31.700 -1.083 0.000 0.876 233 I N 2.760 123.206 120.570 -0.206 0.000 2.440 233 I HA 0.227 4.403 4.170 0.011 0.000 0.294 233 I C 1.223 177.282 176.117 -0.098 0.000 0.995 233 I CA -0.883 60.328 61.300 -0.149 0.000 1.306 233 I CB 0.668 38.621 38.000 -0.078 0.000 1.407 233 I HN 0.100 nan 8.210 nan 0.000 0.501 234 R N 5.521 125.963 120.500 -0.096 0.000 2.449 234 R HA 0.211 4.558 4.340 0.011 0.000 0.296 234 R C -2.396 173.953 176.300 0.080 0.000 1.047 234 R CA -1.671 54.410 56.100 -0.032 0.000 1.018 234 R CB -0.170 30.111 30.300 -0.031 0.000 0.962 234 R HN 0.225 nan 8.270 nan 0.000 0.428 235 P HA -0.031 nan 4.420 nan 0.000 0.264 235 P C 0.154 177.472 177.300 0.029 0.000 1.193 235 P CA 0.187 63.397 63.100 0.183 0.000 0.763 235 P CB 0.437 32.249 31.700 0.187 0.000 0.810 236 M N 4.431 123.939 119.600 -0.153 0.000 2.252 236 M HA 0.108 4.595 4.480 0.011 0.000 0.348 236 M C -0.804 175.227 176.300 -0.448 0.000 1.334 236 M CA 0.550 55.461 55.300 -0.649 0.000 1.071 236 M CB -0.150 31.466 32.600 -1.640 0.000 1.763 236 M HN 0.202 nan 8.290 nan 0.000 0.452 237 L N 4.050 125.070 121.223 -0.339 0.000 2.376 237 L HA 0.879 5.226 4.340 0.011 0.000 0.267 237 L C -0.267 176.532 176.870 -0.119 0.000 1.035 237 L CA -1.136 53.624 54.840 -0.133 0.000 0.800 237 L CB 1.542 43.542 42.059 -0.098 0.000 1.290 237 L HN 0.783 nan 8.230 nan 0.000 0.462 238 A N 0.174 123.000 122.820 0.011 0.000 2.365 238 A HA 0.530 4.857 4.320 0.011 0.000 0.318 238 A C -0.430 177.115 177.584 -0.066 0.000 1.091 238 A CA -0.613 51.465 52.037 0.070 0.000 0.763 238 A CB 1.284 20.405 19.000 0.201 0.000 1.248 238 A HN 0.649 nan 8.150 nan 0.000 0.442 239 E N 0.366 120.474 120.200 -0.153 0.000 2.585 239 E HA 0.265 4.622 4.350 0.011 0.000 0.256 239 E C -0.209 176.345 176.600 -0.077 0.000 1.383 239 E CA 0.079 56.303 56.400 -0.293 0.000 1.029 239 E CB 0.582 29.816 29.700 -0.778 0.000 1.044 239 E HN 0.593 nan 8.360 nan 0.000 0.595 240 R N 0.164 120.642 120.500 -0.036 0.000 2.584 240 R HA 0.513 4.860 4.340 0.011 0.000 0.276 240 R C -1.422 174.952 176.300 0.124 0.000 1.046 240 R CA -0.410 55.717 56.100 0.045 0.000 0.906 240 R CB 0.880 31.184 30.300 0.007 0.000 1.215 240 R HN 0.365 nan 8.270 nan 0.000 0.449 241 L N 1.664 122.947 121.223 0.101 0.000 2.469 241 L HA 0.391 4.738 4.340 0.011 0.000 0.256 241 L C 0.509 177.373 176.870 -0.011 0.000 1.006 241 L CA -0.604 54.284 54.840 0.080 0.000 0.832 241 L CB 2.644 44.769 42.059 0.109 0.000 1.421 241 L HN 0.872 nan 8.230 nan 0.000 0.410 242 S N -1.329 114.349 115.700 -0.038 0.000 2.539 242 S HA 0.101 4.578 4.470 0.011 0.000 0.221 242 S C 0.232 174.748 174.600 -0.140 0.000 0.987 242 S CA -0.305 57.835 58.200 -0.100 0.000 0.929 242 S CB -0.194 62.964 63.200 -0.071 0.000 0.832 242 S HN 0.639 nan 8.310 nan 0.000 0.492 243 N N 2.344 120.983 118.700 -0.101 0.000 2.457 243 N HA 0.432 5.179 4.740 0.011 0.000 0.250 243 N C -2.264 173.178 175.510 -0.114 0.000 0.982 243 N CA -2.130 50.858 53.050 -0.104 0.000 0.941 243 N CB 1.556 40.001 38.487 -0.069 0.000 1.120 243 N HN -0.148 nan 8.380 nan 0.000 0.505 244 P HA -0.187 nan 4.420 nan 0.000 0.216 244 P C 0.751 178.002 177.300 -0.081 0.000 1.150 244 P CA 1.119 64.142 63.100 -0.128 0.000 0.837 244 P CB 0.212 31.830 31.700 -0.138 0.000 0.786 245 E N 0.379 120.533 120.200 -0.076 0.000 2.106 245 E HA -0.219 4.138 4.350 0.011 0.000 0.192 245 E C 1.997 178.556 176.600 -0.068 0.000 0.984 245 E CA 1.124 57.485 56.400 -0.065 0.000 0.806 245 E CB -1.095 28.568 29.700 -0.061 0.000 0.750 245 E HN 0.401 nan 8.360 nan 0.000 0.458 246 E N 0.958 121.112 120.200 -0.075 0.000 2.110 246 E HA -0.126 4.231 4.350 0.011 0.000 0.193 246 E C 2.290 178.832 176.600 -0.097 0.000 0.988 246 E CA 0.745 57.090 56.400 -0.093 0.000 0.804 246 E CB -0.043 29.602 29.700 -0.092 0.000 0.745 246 E HN 0.267 nan 8.360 nan 0.000 0.458 247 I N 0.493 121.024 120.570 -0.064 0.000 2.179 247 I HA -0.263 3.913 4.170 0.011 0.000 0.242 247 I C 2.424 178.523 176.117 -0.030 0.000 1.088 247 I CA 0.623 61.905 61.300 -0.029 0.000 1.357 247 I CB -0.144 37.851 38.000 -0.009 0.000 1.051 247 I HN 0.217 nan 8.210 nan 0.000 0.409 248 L N 0.764 121.965 121.223 -0.036 0.000 2.217 248 L HA -0.123 4.224 4.340 0.011 0.000 0.211 248 L C 2.302 179.149 176.870 -0.038 0.000 1.107 248 L CA 1.671 56.494 54.840 -0.027 0.000 0.783 248 L CB -0.523 41.520 42.059 -0.027 0.000 0.919 248 L HN 0.063 nan 8.230 nan 0.000 0.442 249 K N -0.922 119.442 120.400 -0.059 0.000 2.057 249 K HA -0.139 4.188 4.320 0.011 0.000 0.207 249 K C 1.982 178.530 176.600 -0.087 0.000 1.049 249 K CA 0.886 57.130 56.287 -0.072 0.000 0.931 249 K CB -0.106 32.342 32.500 -0.086 0.000 0.714 249 K HN 0.060 nan 8.250 nan 0.000 0.440 250 K N 0.299 120.628 120.400 -0.118 0.000 2.218 250 K HA -0.078 4.249 4.320 0.011 0.000 0.205 250 K C 1.677 178.255 176.600 -0.036 0.000 1.046 250 K CA 1.132 57.338 56.287 -0.134 0.000 0.933 250 K CB 0.029 32.425 32.500 -0.173 0.000 0.728 250 K HN 0.235 nan 8.250 nan 0.000 0.454 251 M N -1.007 118.587 119.600 -0.010 0.000 2.428 251 M HA 0.109 4.596 4.480 0.011 0.000 0.239 251 M C 0.785 177.091 176.300 0.010 0.000 1.121 251 M CA 0.503 55.817 55.300 0.023 0.000 1.019 251 M CB 0.191 32.807 32.600 0.026 0.000 1.485 251 M HN 0.285 nan 8.290 nan 0.000 0.484 252 G N 0.936 109.730 108.800 -0.010 0.000 2.147 252 G HA2 -0.207 3.760 3.960 0.011 0.000 0.244 252 G HA3 -0.207 3.760 3.960 0.011 0.000 0.244 252 G C 0.872 175.765 174.900 -0.011 0.000 1.005 252 G CA 0.354 45.448 45.100 -0.010 0.000 0.713 252 G HN 0.832 nan 8.290 nan 0.000 0.515 253 G N -1.578 107.213 108.800 -0.015 0.000 2.136 253 G HA2 -0.238 3.729 3.960 0.011 0.000 0.242 253 G HA3 -0.238 3.729 3.960 0.011 0.000 0.242 253 G C -0.105 174.787 174.900 -0.013 0.000 0.989 253 G CA 0.857 45.947 45.100 -0.017 0.000 0.682 253 G HN 1.524 nan 8.290 nan 0.000 0.522 254 N N -0.716 117.979 118.700 -0.007 0.000 2.371 254 N HA 0.718 5.465 4.740 0.011 0.000 0.280 254 N C -0.505 175.004 175.510 -0.001 0.000 1.084 254 N CA 0.119 53.166 53.050 -0.006 0.000 0.892 254 N CB 1.719 40.205 38.487 -0.000 0.000 1.653 254 N HN 1.019 nan 8.380 nan 0.000 0.480 255 A N 1.944 124.757 122.820 -0.011 0.000 2.597 255 A HA 0.510 4.837 4.320 0.011 0.000 0.292 255 A C -1.684 175.882 177.584 -0.030 0.000 1.057 255 A CA -0.537 51.496 52.037 -0.007 0.000 0.674 255 A CB 0.776 19.776 19.000 -0.001 0.000 1.278 255 A HN 0.545 nan 8.150 nan 0.000 0.416 256 I N 1.145 121.696 120.570 -0.032 0.000 2.365 256 I HA 0.440 4.617 4.170 0.011 0.000 0.291 256 I C -0.713 175.361 176.117 -0.072 0.000 1.004 256 I CA -0.680 60.588 61.300 -0.055 0.000 1.311 256 I CB 1.668 39.633 38.000 -0.058 0.000 1.401 256 I HN 0.326 nan 8.210 nan 0.000 0.491 257 V N 5.590 125.444 119.914 -0.101 0.000 2.378 257 V HA 0.321 4.448 4.120 0.011 0.000 0.288 257 V C -0.593 175.527 176.094 0.043 0.000 1.016 257 V CA -0.765 61.506 62.300 -0.049 0.000 0.840 257 V CB 1.482 33.269 31.823 -0.060 0.000 0.994 257 V HN 0.574 nan 8.190 nan 0.000 0.431 258 D N 2.246 122.713 120.400 0.112 0.000 2.181 258 D HA 0.347 4.993 4.640 0.011 0.000 0.248 258 D C -0.155 176.338 176.300 0.321 0.000 1.020 258 D CA -0.253 53.877 54.000 0.217 0.000 0.891 258 D CB 1.265 42.081 40.800 0.025 0.000 1.187 258 D HN 0.469 nan 8.370 nan 0.000 0.443 259 Y N 0.797 121.146 120.300 0.082 0.000 2.712 259 Y HA -0.107 4.450 4.550 0.011 0.000 0.333 259 Y C 1.146 176.763 175.900 -0.472 0.000 1.225 259 Y CA 0.010 57.905 58.100 -0.342 0.000 1.499 259 Y CB 0.702 38.750 38.460 -0.687 0.000 1.288 259 Y HN 0.045 nan 8.280 nan 0.000 0.575 260 K N 4.563 124.747 120.400 -0.361 0.000 2.264 260 K HA 0.245 4.572 4.320 0.011 0.000 0.277 260 K C -1.815 174.579 176.600 -0.343 0.000 1.067 260 K CA -0.182 55.945 56.287 -0.267 0.000 0.900 260 K CB 0.165 32.559 32.500 -0.177 0.000 1.124 260 K HN 0.360 nan 8.250 nan 0.000 0.469 261 Y N 1.711 121.964 120.300 -0.078 0.000 2.307 261 Y HA 0.149 4.705 4.550 0.011 0.000 0.324 261 Y C 0.300 176.198 175.900 -0.004 0.000 1.238 261 Y CA -0.394 57.674 58.100 -0.055 0.000 1.280 261 Y CB 1.087 39.538 38.460 -0.015 0.000 1.248 261 Y HN 0.600 nan 8.280 nan 0.000 0.508 262 D N 1.479 121.983 120.400 0.174 0.000 2.499 262 D HA 0.431 5.078 4.640 0.011 0.000 0.225 262 D C -0.041 176.431 176.300 0.287 0.000 1.124 262 D CA 0.084 54.181 54.000 0.161 0.000 0.938 262 D CB -0.252 40.614 40.800 0.110 0.000 1.014 262 D HN 0.725 nan 8.370 nan 0.000 0.517 263 G N 1.767 110.764 108.800 0.328 0.000 2.871 263 G HA2 0.365 4.331 3.960 0.011 0.000 0.282 263 G HA3 0.365 4.331 3.960 0.011 0.000 0.282 263 G C -1.095 174.096 174.900 0.485 0.000 1.212 263 G CA -0.684 44.679 45.100 0.439 0.000 0.812 263 G HN 0.251 nan 8.290 nan 0.000 0.547 264 E N 0.408 120.844 120.200 0.392 0.000 2.174 264 E HA 0.441 4.798 4.350 0.011 0.000 0.282 264 E C 0.233 176.980 176.600 0.245 0.000 0.992 264 E CA -0.605 56.002 56.400 0.344 0.000 0.803 264 E CB 0.905 30.750 29.700 0.243 0.000 1.090 264 E HN 0.429 nan 8.360 nan 0.000 0.396 265 R N 3.475 124.126 120.500 0.252 0.000 2.288 265 R HA 0.423 4.769 4.340 0.011 0.000 0.330 265 R C -1.153 175.288 176.300 0.235 0.000 1.069 265 R CA -0.056 56.222 56.100 0.296 0.000 0.941 265 R CB 0.198 30.695 30.300 0.329 0.000 0.998 265 R HN 0.523 nan 8.270 nan 0.000 0.452 266 A N 4.819 127.751 122.820 0.186 0.000 2.287 266 A HA 0.215 4.542 4.320 0.011 0.000 0.317 266 A C -0.769 176.891 177.584 0.126 0.000 1.220 266 A CA -0.627 51.483 52.037 0.121 0.000 0.835 266 A CB 1.266 20.278 19.000 0.021 0.000 1.180 266 A HN 0.804 nan 8.150 nan 0.000 0.500 267 Q N 2.492 122.409 119.800 0.195 0.000 2.303 267 Q HA 0.584 4.930 4.340 0.011 0.000 0.257 267 Q C -1.364 174.820 176.000 0.308 0.000 0.941 267 Q CA -0.166 55.789 55.803 0.254 0.000 0.931 267 Q CB 0.651 29.601 28.738 0.353 0.000 1.215 267 Q HN 0.723 nan 8.270 nan 0.000 0.437 268 I N 4.268 125.008 120.570 0.284 0.000 2.389 268 I HA 0.340 4.517 4.170 0.011 0.000 0.288 268 I C -0.393 175.967 176.117 0.405 0.000 0.999 268 I CA -0.597 60.867 61.300 0.273 0.000 1.129 268 I CB 1.239 39.360 38.000 0.203 0.000 1.288 268 I HN 0.579 nan 8.210 nan 0.000 0.444 269 H N 5.619 124.770 119.070 0.135 0.000 2.569 269 H HA 0.486 5.048 4.556 0.011 0.000 0.357 269 H C -0.863 174.449 175.328 -0.025 0.000 1.153 269 H CA -1.038 55.061 56.048 0.085 0.000 1.193 269 H CB 2.956 32.765 29.762 0.078 0.000 1.602 269 H HN 0.394 nan 8.280 nan 0.000 0.523 270 K N 2.876 123.104 120.400 -0.287 0.000 2.541 270 K HA 0.259 4.586 4.320 0.011 0.000 0.250 270 K C -1.561 174.862 176.600 -0.294 0.000 0.950 270 K CA -0.887 55.139 56.287 -0.434 0.000 0.805 270 K CB 1.179 33.001 32.500 -1.130 0.000 1.166 270 K HN 0.610 nan 8.250 nan 0.000 0.430 271 K N 3.100 123.472 120.400 -0.047 0.000 2.426 271 K HA 0.343 4.670 4.320 0.011 0.000 0.254 271 K C 0.024 176.611 176.600 -0.022 0.000 0.936 271 K CA -0.792 55.480 56.287 -0.026 0.000 0.801 271 K CB 2.086 34.617 32.500 0.053 0.000 1.139 271 K HN 0.570 nan 8.250 nan 0.000 0.424 272 E N 1.054 121.225 120.200 -0.049 0.000 4.239 272 E HA -0.355 4.002 4.350 0.011 0.000 0.203 272 E C 0.434 177.000 176.600 -0.057 0.000 1.320 272 E CA 2.812 59.184 56.400 -0.045 0.000 2.188 272 E CB -0.601 29.086 29.700 -0.020 0.000 1.910 272 E HN 0.938 nan 8.360 nan 0.000 0.267 273 D N -1.465 118.905 120.400 -0.050 0.000 2.415 273 D HA 0.077 4.724 4.640 0.011 0.000 0.269 273 D C 0.134 176.380 176.300 -0.090 0.000 1.099 273 D CA -0.064 53.898 54.000 -0.063 0.000 0.865 273 D CB 0.300 41.069 40.800 -0.051 0.000 1.359 273 D HN 0.069 nan 8.370 nan 0.000 0.506 274 K N 1.627 121.974 120.400 -0.088 0.000 2.322 274 K HA 0.299 4.625 4.320 0.011 0.000 0.283 274 K C -0.457 176.017 176.600 -0.211 0.000 1.042 274 K CA 0.045 56.220 56.287 -0.187 0.000 0.958 274 K CB 0.686 33.063 32.500 -0.204 0.000 0.984 274 K HN -0.118 nan 8.250 nan 0.000 0.473 275 I N 5.083 125.460 120.570 -0.321 0.000 2.404 275 I HA 0.322 4.499 4.170 0.011 0.000 0.293 275 I C -0.914 174.956 176.117 -0.411 0.000 0.992 275 I CA -0.771 60.403 61.300 -0.209 0.000 1.149 275 I CB 0.968 38.898 38.000 -0.117 0.000 1.315 275 I HN 0.481 nan 8.210 nan 0.000 0.446 276 F N 6.240 126.071 119.950 -0.198 0.000 2.532 276 F HA 0.630 5.164 4.527 0.012 0.000 0.321 276 F C -0.166 175.323 175.800 -0.519 0.000 1.089 276 F CA -0.713 57.026 58.000 -0.435 0.000 0.926 276 F CB 1.506 40.115 39.000 -0.652 0.000 1.168 276 F HN 0.091 nan 8.300 nan 0.000 0.459 277 I N 3.182 123.497 120.570 -0.425 0.000 2.447 277 I HA 0.406 4.583 4.170 0.011 0.000 0.287 277 I C -1.253 174.614 176.117 -0.418 0.000 1.023 277 I CA -0.511 60.601 61.300 -0.313 0.000 1.083 277 I CB 1.539 39.488 38.000 -0.085 0.000 1.245 277 I HN 0.376 nan 8.210 nan 0.000 0.434 278 F N 3.406 123.404 119.950 0.079 0.000 2.480 278 F HA 0.488 5.022 4.527 0.012 0.000 0.329 278 F C 0.958 176.815 175.800 0.097 0.000 1.091 278 F CA -0.695 57.345 58.000 0.067 0.000 0.972 278 F CB 1.966 40.957 39.000 -0.015 0.000 1.150 278 F HN 0.485 nan 8.300 nan 0.000 0.467 279 S N 1.964 117.840 115.700 0.294 0.000 2.652 279 S HA 0.300 4.776 4.470 0.011 0.000 0.267 279 S C 1.371 176.104 174.600 0.222 0.000 1.201 279 S CA -0.661 57.679 58.200 0.234 0.000 0.996 279 S CB 0.873 64.210 63.200 0.229 0.000 1.054 279 S HN 0.804 nan 8.310 nan 0.000 0.561 280 R N 0.319 120.940 120.500 0.202 0.000 2.139 280 R HA -0.061 4.286 4.340 0.011 0.000 0.243 280 R C 1.944 178.335 176.300 0.152 0.000 1.145 280 R CA 1.452 57.659 56.100 0.177 0.000 0.976 280 R CB -0.208 30.181 30.300 0.149 0.000 0.866 280 R HN 0.677 nan 8.270 nan 0.000 0.449 281 R N 0.126 120.719 120.500 0.155 0.000 2.317 281 R HA 0.172 4.518 4.340 0.011 0.000 0.208 281 R C 0.429 176.815 176.300 0.144 0.000 0.914 281 R CA 0.193 56.375 56.100 0.138 0.000 1.060 281 R CB 0.233 30.616 30.300 0.137 0.000 1.015 281 R HN 0.186 nan 8.270 nan 0.000 0.498 282 L N 1.348 122.668 121.223 0.162 0.000 3.865 282 L HA -0.234 4.113 4.340 0.011 0.000 0.408 282 L C -0.556 176.449 176.870 0.224 0.000 1.209 282 L CA 0.577 55.503 54.840 0.143 0.000 0.940 282 L CB -1.510 40.557 42.059 0.014 0.000 1.971 282 L HN 0.296 nan 8.230 nan 0.000 0.899 283 E N 0.776 121.126 120.200 0.250 0.000 2.319 283 E HA 0.213 4.570 4.350 0.011 0.000 0.268 283 E C 0.402 177.211 176.600 0.347 0.000 1.050 283 E CA -0.602 55.951 56.400 0.254 0.000 0.878 283 E CB 0.943 30.758 29.700 0.191 0.000 1.066 283 E HN 0.100 nan 8.360 nan 0.000 0.406 284 N N 2.423 121.311 118.700 0.313 0.000 2.401 284 N HA 0.067 4.814 4.740 0.011 0.000 0.255 284 N C 0.262 175.854 175.510 0.136 0.000 1.110 284 N CA -0.033 53.172 53.050 0.258 0.000 0.949 284 N CB 0.173 38.789 38.487 0.216 0.000 1.110 284 N HN 0.469 nan 8.380 nan 0.000 0.490 285 I N 0.311 120.949 120.570 0.113 0.000 3.927 285 I HA 0.201 4.378 4.170 0.011 0.000 0.332 285 I C 0.930 177.124 176.117 0.128 0.000 1.485 285 I CA -0.439 60.950 61.300 0.148 0.000 1.131 285 I CB 0.058 38.217 38.000 0.265 0.000 1.092 285 I HN 0.106 nan 8.210 nan 0.000 0.410 286 T N 1.417 115.978 114.554 0.012 0.000 2.665 286 T HA -0.220 4.136 4.350 0.011 0.000 0.268 286 T C 2.071 176.759 174.700 -0.020 0.000 1.035 286 T CA 2.418 64.496 62.100 -0.036 0.000 1.151 286 T CB -0.344 68.433 68.868 -0.152 0.000 0.862 286 T HN 0.716 nan 8.240 nan 0.000 0.438 287 S N 1.384 117.059 115.700 -0.041 0.000 2.474 287 S HA -0.080 4.396 4.470 0.011 0.000 0.235 287 S C 1.888 176.423 174.600 -0.109 0.000 0.997 287 S CA 0.628 58.787 58.200 -0.068 0.000 0.949 287 S CB -0.435 62.733 63.200 -0.053 0.000 0.766 287 S HN 0.562 nan 8.310 nan 0.000 0.517 288 Q N -0.530 119.187 119.800 -0.138 0.000 2.331 288 Q HA 0.133 4.480 4.340 0.011 0.000 0.203 288 Q C -0.315 175.302 176.000 -0.637 0.000 0.944 288 Q CA 0.668 56.235 55.803 -0.393 0.000 0.892 288 Q CB 0.058 28.501 28.738 -0.492 0.000 0.983 288 Q HN 0.787 nan 8.270 nan 0.000 0.482 289 Y N -0.020 120.236 120.300 -0.073 0.000 2.495 289 Y HA 0.218 4.775 4.550 0.010 0.000 0.362 289 Y C -1.768 174.041 175.900 -0.152 0.000 0.956 289 Y CA -2.032 56.012 58.100 -0.094 0.000 1.127 289 Y CB 0.948 39.374 38.460 -0.056 0.000 1.173 289 Y HN 0.074 nan 8.280 nan 0.000 0.639 290 P HA -0.152 nan 4.420 nan 0.000 0.223 290 P C 0.738 177.890 177.300 -0.248 0.000 1.151 290 P CA 1.478 64.482 63.100 -0.160 0.000 0.787 290 P CB 0.435 32.023 31.700 -0.186 0.000 0.788 291 D N 0.410 120.637 120.400 -0.289 0.000 2.117 291 D HA -0.118 4.529 4.640 0.011 0.000 0.197 291 D C 1.943 177.735 176.300 -0.848 0.000 0.987 291 D CA 0.913 54.578 54.000 -0.558 0.000 0.829 291 D CB -1.465 39.086 40.800 -0.415 0.000 0.961 291 D HN 0.054 nan 8.370 nan 0.000 0.460 292 V N 0.894 120.608 119.914 -0.335 0.000 2.295 292 V HA -0.217 3.910 4.120 0.011 0.000 0.246 292 V C 2.944 178.978 176.094 -0.100 0.000 1.049 292 V CA 1.280 63.508 62.300 -0.120 0.000 1.024 292 V CB -0.483 31.354 31.823 0.023 0.000 0.648 292 V HN 0.103 nan 8.190 nan 0.000 0.447 293 V N 0.463 120.311 119.914 -0.108 0.000 2.282 293 V HA -0.338 3.789 4.120 0.011 0.000 0.249 293 V C 2.325 178.351 176.094 -0.114 0.000 1.057 293 V CA 2.453 64.697 62.300 -0.095 0.000 1.032 293 V CB -0.801 30.952 31.823 -0.117 0.000 0.645 293 V HN 0.560 nan 8.190 nan 0.000 0.447 294 D N -1.107 119.162 120.400 -0.218 0.000 2.123 294 D HA -0.178 4.469 4.640 0.011 0.000 0.196 294 D C 2.068 178.306 176.300 -0.104 0.000 0.992 294 D CA 1.665 55.536 54.000 -0.215 0.000 0.833 294 D CB -0.402 40.209 40.800 -0.315 0.000 0.954 294 D HN 0.642 nan 8.370 nan 0.000 0.455 295 Y N 0.389 120.682 120.300 -0.012 0.000 2.181 295 Y HA -0.157 4.399 4.550 0.010 0.000 0.288 295 Y C 2.593 178.576 175.900 0.138 0.000 1.146 295 Y CA 0.079 58.261 58.100 0.136 0.000 1.164 295 Y CB -0.256 38.317 38.460 0.189 0.000 0.982 295 Y HN -0.160 nan 8.280 nan 0.000 0.515 296 V N -0.018 120.035 119.914 0.233 0.000 2.307 296 V HA -0.303 3.824 4.120 0.011 0.000 0.245 296 V C 2.450 178.640 176.094 0.160 0.000 1.045 296 V CA 2.173 64.597 62.300 0.206 0.000 1.024 296 V CB -0.890 31.051 31.823 0.197 0.000 0.651 296 V HN 0.546 nan 8.190 nan 0.000 0.449 297 S N 0.011 115.751 115.700 0.066 0.000 2.402 297 S HA -0.242 4.235 4.470 0.011 0.000 0.229 297 S C 1.999 176.579 174.600 -0.034 0.000 1.021 297 S CA 1.708 59.923 58.200 0.026 0.000 0.974 297 S CB -0.321 62.861 63.200 -0.030 0.000 0.800 297 S HN 0.625 nan 8.310 nan 0.000 0.484 298 K N 0.131 120.445 120.400 -0.144 0.000 2.076 298 K HA 0.037 4.364 4.320 0.011 0.000 0.204 298 K C 1.064 177.461 176.600 -0.338 0.000 1.051 298 K CA 1.140 57.207 56.287 -0.367 0.000 0.949 298 K CB -0.159 31.895 32.500 -0.744 0.000 0.726 298 K HN 0.585 nan 8.250 nan 0.000 0.443 299 Y N -0.297 120.058 120.300 0.092 0.000 2.481 299 Y HA 0.340 4.896 4.550 0.010 0.000 0.247 299 Y C -0.051 175.870 175.900 0.036 0.000 1.151 299 Y CA -0.714 57.424 58.100 0.063 0.000 1.238 299 Y CB 0.969 39.466 38.460 0.063 0.000 1.179 299 Y HN -0.136 nan 8.280 nan 0.000 0.524 300 I N 1.297 121.966 120.570 0.164 0.000 2.382 300 I HA 0.152 4.329 4.170 0.011 0.000 0.286 300 I C -0.223 175.968 176.117 0.123 0.000 1.002 300 I CA -0.719 60.626 61.300 0.076 0.000 1.135 300 I CB 1.613 39.608 38.000 -0.009 0.000 1.288 300 I HN 0.074 nan 8.210 nan 0.000 0.448 301 E N 5.639 125.895 120.200 0.093 0.000 2.316 301 E HA 0.556 4.913 4.350 0.011 0.000 0.275 301 E C -0.186 176.592 176.600 0.296 0.000 1.029 301 E CA -0.180 56.315 56.400 0.157 0.000 0.871 301 E CB 1.030 30.798 29.700 0.113 0.000 1.022 301 E HN 0.865 nan 8.360 nan 0.000 0.418 302 G N 3.473 112.458 108.800 0.308 0.000 2.351 302 G HA2 -0.117 3.850 3.960 0.011 0.000 0.472 302 G HA3 -0.117 3.850 3.960 0.011 0.000 0.472 302 G C -0.114 174.896 174.900 0.185 0.000 1.570 302 G CA -0.229 45.035 45.100 0.274 0.000 0.921 302 G HN 0.559 nan 8.290 nan 0.000 0.674 303 K N -0.137 120.238 120.400 -0.042 0.000 2.076 303 K HA 0.105 4.432 4.320 0.011 0.000 0.204 303 K C 0.866 177.376 176.600 -0.150 0.000 1.051 303 K CA 1.890 58.135 56.287 -0.072 0.000 0.949 303 K CB 0.038 32.484 32.500 -0.090 0.000 0.726 303 K HN 0.781 nan 8.250 nan 0.000 0.443 304 E N -1.278 118.806 120.200 -0.195 0.000 2.388 304 E HA 0.409 4.766 4.350 0.011 0.000 0.280 304 E C -1.019 175.523 176.600 -0.097 0.000 1.019 304 E CA -1.074 55.164 56.400 -0.270 0.000 0.806 304 E CB 1.210 30.847 29.700 -0.105 0.000 1.246 304 E HN 0.028 nan 8.360 nan 0.000 0.443 305 F N -1.032 118.944 119.950 0.043 0.000 2.878 305 F HA 0.600 5.134 4.527 0.011 0.000 0.322 305 F C -2.120 173.675 175.800 -0.008 0.000 1.154 305 F CA -1.306 56.755 58.000 0.101 0.000 0.896 305 F CB 0.829 39.931 39.000 0.170 0.000 1.313 305 F HN 0.450 nan 8.300 nan 0.000 0.451 306 I N 3.338 124.080 120.570 0.286 0.000 2.478 306 I HA 0.660 4.837 4.170 0.011 0.000 0.287 306 I C -0.633 175.518 176.117 0.056 0.000 1.042 306 I CA -0.743 60.527 61.300 -0.049 0.000 1.067 306 I CB 1.828 39.587 38.000 -0.401 0.000 1.233 306 I HN 0.779 nan 8.210 nan 0.000 0.431 307 I N 1.617 122.235 120.570 0.080 0.000 3.322 307 I HA 0.709 4.885 4.170 0.011 0.000 0.313 307 I C -1.133 174.940 176.117 -0.074 0.000 1.129 307 I CA -0.707 60.562 61.300 -0.051 0.000 0.963 307 I CB 2.578 40.510 38.000 -0.114 0.000 1.273 307 I HN 0.474 nan 8.210 nan 0.000 0.473 308 E N 0.048 120.107 120.200 -0.234 0.000 2.331 308 E HA 0.701 5.057 4.350 0.011 0.000 0.275 308 E C -1.227 174.993 176.600 -0.633 0.000 0.895 308 E CA -0.845 55.338 56.400 -0.360 0.000 0.753 308 E CB 2.713 32.116 29.700 -0.494 0.000 1.216 308 E HN 1.028 nan 8.360 nan 0.000 0.434 309 G N 1.759 110.343 108.800 -0.359 0.000 2.677 309 G HA2 0.332 4.299 3.960 0.011 0.000 0.291 309 G HA3 0.332 4.299 3.960 0.011 0.000 0.291 309 G C -1.558 173.489 174.900 0.245 0.000 1.435 309 G CA -0.656 44.383 45.100 -0.103 0.000 0.826 309 G HN 0.392 nan 8.290 nan 0.000 0.491 310 E N 0.051 120.481 120.200 0.383 0.000 2.174 310 E HA 0.500 4.857 4.350 0.011 0.000 0.282 310 E C -0.078 176.633 176.600 0.185 0.000 0.992 310 E CA -0.494 56.098 56.400 0.319 0.000 0.803 310 E CB 0.944 30.848 29.700 0.340 0.000 1.090 310 E HN 0.331 nan 8.360 nan 0.000 0.396 311 I N 4.878 125.519 120.570 0.118 0.000 2.379 311 I HA 0.168 4.345 4.170 0.011 0.000 0.290 311 I C -0.717 175.489 176.117 0.149 0.000 1.063 311 I CA -0.506 60.817 61.300 0.039 0.000 1.351 311 I CB 0.760 38.637 38.000 -0.205 0.000 1.410 311 I HN 0.236 nan 8.210 nan 0.000 0.505 312 V N 6.374 126.411 119.914 0.205 0.000 2.487 312 V HA 0.513 4.640 4.120 0.011 0.000 0.298 312 V C 0.447 176.684 176.094 0.237 0.000 1.028 312 V CA -0.849 61.612 62.300 0.269 0.000 0.860 312 V CB 1.674 33.731 31.823 0.390 0.000 0.991 312 V HN 0.835 nan 8.190 nan 0.000 0.427 313 A N 5.014 127.958 122.820 0.207 0.000 2.498 313 A HA 0.645 4.972 4.320 0.011 0.000 0.239 313 A C -0.626 177.083 177.584 0.209 0.000 1.068 313 A CA 0.318 52.479 52.037 0.206 0.000 0.766 313 A CB 0.039 19.148 19.000 0.182 0.000 1.003 313 A HN 0.688 nan 8.150 nan 0.000 0.497 314 I N 0.804 121.493 120.570 0.199 0.000 2.647 314 I HA 0.271 4.447 4.170 0.011 0.000 0.295 314 I C -0.654 175.547 176.117 0.140 0.000 1.078 314 I CA -0.394 61.010 61.300 0.173 0.000 1.048 314 I CB 2.294 40.397 38.000 0.171 0.000 1.239 314 I HN 0.768 nan 8.210 nan 0.000 0.421 315 D N 7.684 128.151 120.400 0.111 0.000 2.343 315 D HA 0.255 4.902 4.640 0.011 0.000 0.255 315 D C -1.818 174.523 176.300 0.067 0.000 1.187 315 D CA -1.564 52.484 54.000 0.080 0.000 0.875 315 D CB 1.400 42.240 40.800 0.067 0.000 1.136 315 D HN 0.189 nan 8.370 nan 0.000 0.469 316 P HA -0.171 nan 4.420 nan 0.000 0.217 316 P C 0.865 178.191 177.300 0.043 0.000 1.148 316 P CA 0.907 64.036 63.100 0.049 0.000 0.828 316 P CB 0.282 31.994 31.700 0.019 0.000 0.783 317 E N -0.675 119.545 120.200 0.034 0.000 2.162 317 E HA -0.030 4.327 4.350 0.011 0.000 0.193 317 E C 1.703 178.321 176.600 0.029 0.000 0.953 317 E CA 1.192 57.609 56.400 0.029 0.000 0.849 317 E CB 0.120 29.833 29.700 0.022 0.000 0.810 317 E HN 0.229 nan 8.360 nan 0.000 0.470 318 S N -1.550 114.170 115.700 0.034 0.000 2.512 318 S HA 0.233 4.710 4.470 0.011 0.000 0.216 318 S C 1.550 176.173 174.600 0.038 0.000 1.006 318 S CA 0.906 59.126 58.200 0.033 0.000 0.915 318 S CB 0.672 63.893 63.200 0.035 0.000 0.824 318 S HN 0.349 nan 8.310 nan 0.000 0.497 319 G N 2.225 111.054 108.800 0.048 0.000 2.220 319 G HA2 -0.377 3.589 3.960 0.011 0.000 0.269 319 G HA3 -0.377 3.589 3.960 0.011 0.000 0.269 319 G C -0.014 174.935 174.900 0.083 0.000 0.977 319 G CA 0.650 45.785 45.100 0.059 0.000 0.634 319 G HN 1.029 nan 8.290 nan 0.000 0.539 320 E N 0.640 120.884 120.200 0.074 0.000 2.422 320 E HA 0.392 4.749 4.350 0.011 0.000 0.260 320 E C 0.764 177.428 176.600 0.107 0.000 1.108 320 E CA -0.459 55.990 56.400 0.082 0.000 0.943 320 E CB 0.380 30.114 29.700 0.057 0.000 0.961 320 E HN 0.430 nan 8.360 nan 0.000 0.443 321 M N 1.970 121.638 119.600 0.114 0.000 2.238 321 M HA 0.183 4.670 4.480 0.011 0.000 0.347 321 M C 0.256 176.624 176.300 0.114 0.000 1.173 321 M CA 0.497 55.881 55.300 0.140 0.000 1.147 321 M CB 0.645 33.331 32.600 0.142 0.000 1.547 321 M HN 0.429 nan 8.290 nan 0.000 0.455 322 R N 2.424 123.006 120.500 0.137 0.000 2.732 322 R HA 0.587 4.933 4.340 0.011 0.000 0.278 322 R C -2.419 173.957 176.300 0.127 0.000 0.976 322 R CA -1.754 54.421 56.100 0.125 0.000 0.963 322 R CB 0.794 31.183 30.300 0.148 0.000 1.150 322 R HN 0.379 nan 8.270 nan 0.000 0.478 323 P HA -0.040 nan 4.420 nan 0.000 0.272 323 P C 0.137 177.519 177.300 0.136 0.000 1.240 323 P CA -0.186 62.989 63.100 0.123 0.000 0.791 323 P CB 0.454 32.213 31.700 0.098 0.000 0.978 324 F N 1.106 121.072 119.950 0.027 0.000 2.192 324 F HA -0.241 4.293 4.527 0.012 0.000 0.301 324 F C 2.082 177.853 175.800 -0.049 0.000 1.079 324 F CA 1.646 59.658 58.000 0.019 0.000 1.303 324 F CB -0.288 38.730 39.000 0.030 0.000 1.024 324 F HN 0.162 nan 8.300 nan 0.000 0.494 325 Q N 0.690 120.486 119.800 -0.007 0.000 2.297 325 Q HA -0.192 4.155 4.340 0.011 0.000 0.208 325 Q C 1.992 177.606 176.000 -0.643 0.000 0.981 325 Q CA 1.363 57.001 55.803 -0.274 0.000 0.876 325 Q CB -0.410 28.235 28.738 -0.156 0.000 0.921 325 Q HN 0.571 nan 8.270 nan 0.000 0.446 326 E N 0.026 120.011 120.200 -0.358 0.000 2.208 326 E HA -0.058 4.299 4.350 0.011 0.000 0.193 326 E C 2.106 178.461 176.600 -0.409 0.000 0.988 326 E CA 0.316 56.567 56.400 -0.249 0.000 0.828 326 E CB -0.021 29.750 29.700 0.118 0.000 0.763 326 E HN 0.386 nan 8.360 nan 0.000 0.478 327 L N 0.145 121.117 121.223 -0.418 0.000 2.141 327 L HA -0.109 4.238 4.340 0.011 0.000 0.209 327 L C 2.358 178.939 176.870 -0.481 0.000 1.094 327 L CA 0.607 55.200 54.840 -0.411 0.000 0.763 327 L CB -0.276 41.517 42.059 -0.443 0.000 0.908 327 L HN 0.128 nan 8.230 nan 0.000 0.437 328 M N -1.232 118.015 119.600 -0.589 0.000 2.254 328 M HA -0.132 4.355 4.480 0.011 0.000 0.265 328 M C 2.094 178.234 176.300 -0.266 0.000 1.066 328 M CA 1.611 56.683 55.300 -0.381 0.000 1.123 328 M CB -1.265 31.152 32.600 -0.305 0.000 1.388 328 M HN 0.327 nan 8.290 nan 0.000 0.425 329 H N -0.835 118.019 119.070 -0.360 0.000 2.357 329 H HA -0.075 4.487 4.556 0.011 0.000 0.301 329 H C 2.343 177.322 175.328 -0.581 0.000 1.082 329 H CA 1.206 57.017 56.048 -0.395 0.000 1.342 329 H CB 0.028 29.569 29.762 -0.367 0.000 1.389 329 H HN 0.294 nan 8.280 nan 0.000 0.511 330 R N 1.851 121.863 120.500 -0.812 0.000 2.094 330 R HA -0.205 4.141 4.340 0.011 0.000 0.239 330 R C 2.257 178.406 176.300 -0.251 0.000 1.137 330 R CA 2.030 57.760 56.100 -0.616 0.000 0.943 330 R CB -0.148 29.891 30.300 -0.435 0.000 0.850 330 R HN 0.190 nan 8.270 nan 0.000 0.433 331 K N 0.217 120.477 120.400 -0.233 0.000 2.160 331 K HA -0.170 4.157 4.320 0.011 0.000 0.206 331 K C 1.891 178.437 176.600 -0.089 0.000 1.047 331 K CA 1.650 57.843 56.287 -0.155 0.000 0.930 331 K CB 0.021 32.445 32.500 -0.126 0.000 0.720 331 K HN 0.246 nan 8.250 nan 0.000 0.450 332 R N 0.416 120.873 120.500 -0.071 0.000 2.276 332 R HA 0.053 4.399 4.340 0.011 0.000 0.196 332 R C -0.061 176.238 176.300 -0.002 0.000 0.961 332 R CA 0.141 56.227 56.100 -0.022 0.000 1.024 332 R CB 0.246 30.547 30.300 0.003 0.000 0.940 332 R HN -0.011 nan 8.270 nan 0.000 0.480 333 K N 1.148 121.549 120.400 0.003 0.000 2.401 333 K HA -0.006 4.321 4.320 0.011 0.000 0.278 333 K C 1.194 177.808 176.600 0.023 0.000 1.018 333 K CA 0.243 56.556 56.287 0.043 0.000 0.981 333 K CB 1.338 33.898 32.500 0.099 0.000 0.933 333 K HN 0.066 nan 8.250 nan 0.000 0.477 334 S N 0.530 116.247 115.700 0.030 0.000 2.377 334 S HA -0.098 4.379 4.470 0.011 0.000 0.223 334 S C 0.616 175.233 174.600 0.028 0.000 1.030 334 S CA 0.472 58.685 58.200 0.022 0.000 0.970 334 S CB 0.094 63.306 63.200 0.021 0.000 0.830 334 S HN 0.613 nan 8.310 nan 0.000 0.473 335 D N 0.891 121.317 120.400 0.044 0.000 2.347 335 D HA 0.244 4.891 4.640 0.011 0.000 0.235 335 D C 0.785 177.134 176.300 0.082 0.000 1.149 335 D CA -0.437 53.601 54.000 0.063 0.000 0.850 335 D CB 1.113 41.951 40.800 0.064 0.000 1.061 335 D HN 0.125 nan 8.370 nan 0.000 0.487 336 I N 5.045 125.661 120.570 0.076 0.000 2.248 336 I HA -0.293 3.884 4.170 0.011 0.000 0.248 336 I C 1.182 177.327 176.117 0.047 0.000 1.107 336 I CA 1.623 62.943 61.300 0.033 0.000 1.373 336 I CB -0.235 37.755 38.000 -0.016 0.000 1.055 336 I HN 0.478 nan 8.210 nan 0.000 0.418 337 Y N 0.801 121.092 120.300 -0.015 0.000 2.220 337 Y HA -0.151 4.405 4.550 0.009 0.000 0.291 337 Y C 2.522 178.425 175.900 0.006 0.000 1.129 337 Y CA 1.767 59.861 58.100 -0.010 0.000 1.161 337 Y CB -0.441 38.011 38.460 -0.013 0.000 0.997 337 Y HN 0.238 nan 8.280 nan 0.000 0.522 338 E N -0.250 120.058 120.200 0.181 0.000 2.058 338 E HA -0.264 4.093 4.350 0.011 0.000 0.194 338 E C 2.395 179.058 176.600 0.105 0.000 0.997 338 E CA 1.090 57.556 56.400 0.109 0.000 0.801 338 E CB -0.298 29.452 29.700 0.084 0.000 0.746 338 E HN 0.462 nan 8.360 nan 0.000 0.450 339 A N 1.159 124.051 122.820 0.121 0.000 1.883 339 A HA -0.201 4.125 4.320 0.011 0.000 0.217 339 A C 2.187 179.879 177.584 0.181 0.000 1.186 339 A CA 1.302 53.450 52.037 0.184 0.000 0.624 339 A CB -0.650 18.402 19.000 0.087 0.000 0.822 339 A HN 0.162 nan 8.150 nan 0.000 0.444 340 I N 0.204 120.815 120.570 0.069 0.000 2.252 340 I HA -0.306 3.871 4.170 0.011 0.000 0.245 340 I C 2.551 178.705 176.117 0.061 0.000 1.102 340 I CA 1.938 63.263 61.300 0.042 0.000 1.385 340 I CB -0.284 37.670 38.000 -0.077 0.000 1.064 340 I HN 0.537 nan 8.210 nan 0.000 0.414 341 K N 1.144 121.574 120.400 0.049 0.000 2.057 341 K HA -0.209 4.118 4.320 0.011 0.000 0.206 341 K C 1.965 178.555 176.600 -0.017 0.000 1.050 341 K CA 1.653 57.961 56.287 0.036 0.000 0.935 341 K CB -0.414 32.114 32.500 0.048 0.000 0.715 341 K HN 0.256 nan 8.250 nan 0.000 0.439 342 E N -0.030 120.121 120.200 -0.081 0.000 2.152 342 E HA -0.107 4.250 4.350 0.011 0.000 0.192 342 E C -0.239 176.064 176.600 -0.495 0.000 0.983 342 E CA 0.661 56.861 56.400 -0.334 0.000 0.818 342 E CB 0.207 29.614 29.700 -0.489 0.000 0.758 342 E HN 0.519 nan 8.360 nan 0.000 0.467 343 Y N 0.993 121.329 120.300 0.060 0.000 2.562 343 Y HA 0.344 4.903 4.550 0.015 0.000 0.363 343 Y C -2.272 173.684 175.900 0.092 0.000 0.991 343 Y CA -2.722 55.422 58.100 0.073 0.000 1.121 343 Y CB 0.800 39.297 38.460 0.061 0.000 1.159 343 Y HN 0.068 nan 8.280 nan 0.000 0.651 344 P HA 0.087 nan 4.420 nan 0.000 0.271 344 P C -0.168 177.276 177.300 0.240 0.000 1.244 344 P CA 0.096 63.318 63.100 0.204 0.000 0.793 344 P CB 2.014 33.822 31.700 0.180 0.000 0.984 345 V N 1.106 121.182 119.914 0.270 0.000 3.007 345 V HA 0.412 4.539 4.120 0.011 0.000 0.311 345 V C -0.265 175.955 176.094 0.210 0.000 1.120 345 V CA -0.578 61.873 62.300 0.252 0.000 0.980 345 V CB 2.385 34.379 31.823 0.285 0.000 1.033 345 V HN 0.525 nan 8.190 nan 0.000 0.429 346 N N 0.592 119.346 118.700 0.090 0.000 2.453 346 N HA 0.765 5.512 4.740 0.011 0.000 0.290 346 N C -1.331 174.041 175.510 -0.230 0.000 1.250 346 N CA -0.399 52.556 53.050 -0.160 0.000 0.815 346 N CB 2.198 40.459 38.487 -0.376 0.000 1.381 346 N HN 0.339 nan 8.380 nan 0.000 0.510 347 V N 1.456 121.111 119.914 -0.432 0.000 2.444 347 V HA 0.476 4.603 4.120 0.011 0.000 0.294 347 V C -1.087 174.679 176.094 -0.546 0.000 1.022 347 V CA -0.615 61.503 62.300 -0.303 0.000 0.850 347 V CB 0.729 32.495 31.823 -0.094 0.000 0.992 347 V HN 0.472 nan 8.190 nan 0.000 0.426 348 F N 5.016 124.864 119.950 -0.169 0.000 2.293 348 F HA 0.532 5.065 4.527 0.010 0.000 0.370 348 F C 0.230 176.027 175.800 -0.004 0.000 1.090 348 F CA -0.418 57.449 58.000 -0.220 0.000 1.133 348 F CB 0.980 39.512 39.000 -0.780 0.000 1.360 348 F HN 0.231 nan 8.300 nan 0.000 0.489 349 L N 3.870 125.155 121.223 0.102 0.000 2.371 349 L HA 0.230 4.577 4.340 0.011 0.000 0.272 349 L C 0.505 177.462 176.870 0.144 0.000 1.124 349 L CA -0.074 54.779 54.840 0.023 0.000 0.816 349 L CB 0.650 42.666 42.059 -0.071 0.000 1.129 349 L HN 0.702 nan 8.230 nan 0.000 0.448 350 F N -1.946 118.036 119.950 0.053 0.000 2.975 350 F HA 0.501 5.034 4.527 0.010 0.000 0.366 350 F C -0.140 175.682 175.800 0.037 0.000 1.071 350 F CA -0.607 57.409 58.000 0.027 0.000 1.102 350 F CB 0.456 39.478 39.000 0.037 0.000 1.176 350 F HN 0.263 nan 8.300 nan 0.000 0.545 351 D N 1.009 121.262 120.400 -0.245 0.000 2.599 351 D HA 0.457 5.104 4.640 0.011 0.000 0.252 351 D C -2.155 174.072 176.300 -0.122 0.000 1.232 351 D CA -0.189 53.804 54.000 -0.013 0.000 0.819 351 D CB 2.950 43.938 40.800 0.314 0.000 1.401 351 D HN 0.068 nan 8.370 nan 0.000 0.429 352 L N 1.925 123.103 121.223 -0.075 0.000 2.470 352 L HA 0.456 4.803 4.340 0.011 0.000 0.268 352 L C -0.917 175.900 176.870 -0.089 0.000 0.964 352 L CA -0.464 54.295 54.840 -0.135 0.000 0.839 352 L CB 1.347 43.268 42.059 -0.230 0.000 1.276 352 L HN 0.500 nan 8.230 nan 0.000 0.403 353 M N 5.046 124.589 119.600 -0.094 0.000 2.338 353 M HA 0.355 4.842 4.480 0.011 0.000 0.276 353 M C -0.968 175.446 176.300 0.191 0.000 1.057 353 M CA 0.355 55.614 55.300 -0.068 0.000 1.079 353 M CB 0.633 33.022 32.600 -0.351 0.000 1.547 353 M HN 0.505 nan 8.290 nan 0.000 0.549 354 Y N -0.488 119.830 120.300 0.031 0.000 2.521 354 Y HA 0.511 5.068 4.550 0.011 0.000 0.332 354 Y C -2.119 173.901 175.900 0.200 0.000 1.121 354 Y CA -1.627 56.555 58.100 0.137 0.000 1.037 354 Y CB 1.554 40.021 38.460 0.011 0.000 1.330 354 Y HN 0.008 nan 8.280 nan 0.000 0.452 355 Y N 4.684 124.918 120.300 -0.110 0.000 2.358 355 Y HA 0.306 4.863 4.550 0.011 0.000 0.324 355 Y C -0.695 175.166 175.900 -0.065 0.000 1.123 355 Y CA -1.160 56.915 58.100 -0.040 0.000 1.067 355 Y CB 1.211 39.514 38.460 -0.260 0.000 1.230 355 Y HN 0.756 nan 8.280 nan 0.000 0.429 356 E N 5.321 125.299 120.200 -0.369 0.000 2.197 356 E HA -0.304 4.053 4.350 0.011 0.000 0.184 356 E C -0.576 175.931 176.600 -0.155 0.000 1.439 356 E CA 1.242 57.474 56.400 -0.279 0.000 0.688 356 E CB -0.743 28.729 29.700 -0.380 0.000 1.090 356 E HN 0.842 nan 8.360 nan 0.000 0.341 357 D N -2.710 117.615 120.400 -0.125 0.000 3.028 357 D HA -0.166 4.480 4.640 0.011 0.000 0.207 357 D C -0.353 175.731 176.300 -0.359 0.000 1.100 357 D CA 1.339 55.291 54.000 -0.081 0.000 0.995 357 D CB -0.897 39.904 40.800 0.003 0.000 1.108 357 D HN 0.260 nan 8.370 nan 0.000 0.421 358 V N 1.033 120.574 119.914 -0.620 0.000 2.448 358 V HA 0.301 4.428 4.120 0.011 0.000 0.295 358 V C 0.126 175.861 176.094 -0.597 0.000 1.025 358 V CA -0.951 61.106 62.300 -0.405 0.000 0.859 358 V CB 2.045 33.826 31.823 -0.070 0.000 0.988 358 V HN -0.045 nan 8.190 nan 0.000 0.431 359 D N 2.890 123.085 120.400 -0.341 0.000 2.358 359 D HA 0.107 4.754 4.640 0.011 0.000 0.258 359 D C 0.061 176.332 176.300 -0.048 0.000 1.223 359 D CA 0.325 54.307 54.000 -0.030 0.000 0.886 359 D CB 0.724 41.581 40.800 0.094 0.000 1.120 359 D HN 0.496 nan 8.370 nan 0.000 0.482 360 Y N 1.335 121.632 120.300 -0.006 0.000 2.457 360 Y HA 0.005 4.562 4.550 0.012 0.000 0.263 360 Y C 2.408 178.341 175.900 0.055 0.000 1.164 360 Y CA 0.518 58.626 58.100 0.013 0.000 1.274 360 Y CB 0.109 38.572 38.460 0.004 0.000 1.097 360 Y HN 0.491 nan 8.280 nan 0.000 0.523 361 T N -3.852 110.798 114.554 0.160 0.000 2.915 361 T HA -0.162 4.195 4.350 0.011 0.000 0.269 361 T C 1.736 176.528 174.700 0.154 0.000 1.071 361 T CA 1.645 63.855 62.100 0.183 0.000 1.132 361 T CB -0.692 68.275 68.868 0.166 0.000 0.878 361 T HN 0.381 nan 8.240 nan 0.000 0.479 362 T N -1.230 113.368 114.554 0.073 0.000 3.129 362 T HA 0.271 4.628 4.350 0.011 0.000 0.251 362 T C 0.559 175.272 174.700 0.021 0.000 1.117 362 T CA -0.373 61.750 62.100 0.039 0.000 1.034 362 T CB -0.140 68.729 68.868 0.002 0.000 0.968 362 T HN 0.360 nan 8.240 nan 0.000 0.526 363 K N 2.116 122.533 120.400 0.028 0.000 2.098 363 K HA 0.461 4.787 4.320 0.011 0.000 0.258 363 K C -2.953 173.706 176.600 0.098 0.000 0.973 363 K CA -2.487 53.812 56.287 0.020 0.000 0.898 363 K CB 0.988 33.454 32.500 -0.056 0.000 1.057 363 K HN 0.020 nan 8.250 nan 0.000 0.447 364 P HA -0.045 nan 4.420 nan 0.000 0.269 364 P C 0.642 178.024 177.300 0.137 0.000 1.209 364 P CA -0.332 62.830 63.100 0.103 0.000 0.776 364 P CB 0.456 32.199 31.700 0.072 0.000 0.876 365 L N 3.266 124.584 121.223 0.158 0.000 2.043 365 L HA -0.262 4.085 4.340 0.011 0.000 0.212 365 L C 1.678 178.612 176.870 0.106 0.000 1.075 365 L CA 2.173 57.118 54.840 0.175 0.000 0.752 365 L CB -1.303 40.877 42.059 0.201 0.000 0.891 365 L HN 0.294 nan 8.230 nan 0.000 0.432 366 E N 0.141 120.386 120.200 0.075 0.000 2.160 366 E HA -0.153 4.204 4.350 0.011 0.000 0.195 366 E C 2.165 178.790 176.600 0.043 0.000 0.991 366 E CA 1.386 57.811 56.400 0.040 0.000 0.810 366 E CB -0.609 29.111 29.700 0.033 0.000 0.742 366 E HN 0.663 nan 8.360 nan 0.000 0.466 367 A N 1.022 123.886 122.820 0.074 0.000 1.930 367 A HA -0.065 4.262 4.320 0.011 0.000 0.215 367 A C 2.014 179.670 177.584 0.119 0.000 1.176 367 A CA 0.918 53.013 52.037 0.096 0.000 0.632 367 A CB -0.157 18.912 19.000 0.115 0.000 0.819 367 A HN 0.054 nan 8.150 nan 0.000 0.445 368 R N -0.694 119.892 120.500 0.144 0.000 2.075 368 R HA -0.032 4.315 4.340 0.011 0.000 0.232 368 R C 2.308 178.583 176.300 -0.042 0.000 1.126 368 R CA 1.083 57.235 56.100 0.087 0.000 0.963 368 R CB -0.311 30.083 30.300 0.158 0.000 0.858 368 R HN 0.316 nan 8.270 nan 0.000 0.435 369 R N 1.242 121.733 120.500 -0.015 0.000 2.066 369 R HA -0.096 4.251 4.340 0.011 0.000 0.232 369 R C 2.200 178.444 176.300 -0.093 0.000 1.131 369 R CA 1.141 57.198 56.100 -0.071 0.000 0.955 369 R CB -0.364 29.888 30.300 -0.080 0.000 0.851 369 R HN 0.221 nan 8.270 nan 0.000 0.432 370 K N 0.924 121.288 120.400 -0.061 0.000 2.020 370 K HA -0.137 4.190 4.320 0.011 0.000 0.212 370 K C 2.204 178.732 176.600 -0.119 0.000 1.050 370 K CA 1.238 57.487 56.287 -0.063 0.000 0.929 370 K CB -0.238 32.245 32.500 -0.027 0.000 0.714 370 K HN 0.105 nan 8.250 nan 0.000 0.443 371 L N 1.040 122.163 121.223 -0.166 0.000 2.012 371 L HA -0.213 4.134 4.340 0.011 0.000 0.210 371 L C 2.541 179.191 176.870 -0.366 0.000 1.073 371 L CA 1.180 55.829 54.840 -0.319 0.000 0.748 371 L CB -0.375 41.380 42.059 -0.507 0.000 0.891 371 L HN 0.339 nan 8.230 nan 0.000 0.431 372 L N 0.161 121.200 121.223 -0.308 0.000 2.012 372 L HA -0.257 4.090 4.340 0.011 0.000 0.210 372 L C 2.443 179.184 176.870 -0.215 0.000 1.073 372 L CA 1.837 56.506 54.840 -0.285 0.000 0.748 372 L CB -0.569 41.364 42.059 -0.210 0.000 0.891 372 L HN 0.264 nan 8.230 nan 0.000 0.431 373 E N -0.514 119.594 120.200 -0.154 0.000 2.077 373 E HA -0.210 4.147 4.350 0.011 0.000 0.193 373 E C 2.143 178.681 176.600 -0.104 0.000 0.989 373 E CA 1.577 57.917 56.400 -0.099 0.000 0.800 373 E CB -0.314 29.352 29.700 -0.057 0.000 0.746 373 E HN 0.752 nan 8.360 nan 0.000 0.452 374 S N 1.301 116.923 115.700 -0.131 0.000 2.474 374 S HA -0.085 4.392 4.470 0.011 0.000 0.235 374 S C 2.080 176.606 174.600 -0.123 0.000 0.997 374 S CA 0.790 58.922 58.200 -0.113 0.000 0.949 374 S CB -0.612 62.516 63.200 -0.119 0.000 0.766 374 S HN 0.453 nan 8.310 nan 0.000 0.517 375 I N -1.158 119.302 120.570 -0.184 0.000 3.860 375 I HA 0.386 4.563 4.170 0.011 0.000 0.319 375 I C -0.402 175.657 176.117 -0.096 0.000 1.279 375 I CA -0.318 60.886 61.300 -0.161 0.000 1.220 375 I CB 0.241 38.064 38.000 -0.295 0.000 1.027 375 I HN -0.018 nan 8.210 nan 0.000 0.428 376 V N 3.599 123.458 119.914 -0.090 0.000 2.348 376 V HA 0.249 4.376 4.120 0.011 0.000 0.270 376 V C 0.243 176.331 176.094 -0.009 0.000 1.037 376 V CA -0.668 61.606 62.300 -0.044 0.000 0.872 376 V CB 0.736 32.516 31.823 -0.071 0.000 1.002 376 V HN 0.245 nan 8.190 nan 0.000 0.464 377 K N 5.896 126.329 120.400 0.054 0.000 2.401 377 K HA 0.248 4.574 4.320 0.011 0.000 0.278 377 K C -2.468 174.132 176.600 0.001 0.000 1.018 377 K CA -1.426 54.902 56.287 0.069 0.000 0.981 377 K CB 0.222 32.825 32.500 0.172 0.000 0.933 377 K HN 0.371 nan 8.250 nan 0.000 0.477 378 P HA -0.090 nan 4.420 nan 0.000 0.262 378 P C -1.018 176.164 177.300 -0.197 0.000 1.182 378 P CA 0.360 63.400 63.100 -0.100 0.000 0.761 378 P CB 0.280 31.944 31.700 -0.060 0.000 0.795 379 N N 0.062 118.558 118.700 -0.340 0.000 3.116 379 N HA 0.228 4.975 4.740 0.011 0.000 0.244 379 N C -0.628 174.545 175.510 -0.561 0.000 1.485 379 N CA -0.772 51.948 53.050 -0.549 0.000 0.884 379 N CB 0.300 38.033 38.487 -1.257 0.000 1.415 379 N HN -0.062 nan 8.380 nan 0.000 0.524 380 D N -1.198 118.737 120.400 -0.776 0.000 2.349 380 D HA 0.097 4.744 4.640 0.011 0.000 0.224 380 D C 0.069 175.718 176.300 -1.085 0.000 1.029 380 D CA 1.041 54.475 54.000 -0.944 0.000 0.879 380 D CB -0.018 40.099 40.800 -1.139 0.000 0.906 380 D HN 0.534 nan 8.370 nan 0.000 0.528 381 Y N -0.882 119.067 120.300 -0.584 0.000 2.664 381 Y HA 0.207 4.761 4.550 0.007 0.000 0.278 381 Y C 0.784 176.280 175.900 -0.673 0.000 1.130 381 Y CA -0.205 57.439 58.100 -0.760 0.000 1.260 381 Y CB 0.924 38.544 38.460 -1.401 0.000 1.369 381 Y HN -0.316 nan 8.280 nan 0.000 0.499 382 V N 2.019 121.689 119.914 -0.406 0.000 2.444 382 V HA 0.430 4.557 4.120 0.011 0.000 0.294 382 V C -0.598 175.320 176.094 -0.293 0.000 1.022 382 V CA -1.024 61.102 62.300 -0.291 0.000 0.850 382 V CB 1.544 33.324 31.823 -0.071 0.000 0.992 382 V HN 0.102 nan 8.190 nan 0.000 0.426 383 K N 3.946 124.159 120.400 -0.312 0.000 2.509 383 K HA 0.639 4.966 4.320 0.011 0.000 0.266 383 K C -1.344 175.228 176.600 -0.047 0.000 0.987 383 K CA -0.982 55.193 56.287 -0.187 0.000 0.868 383 K CB 2.460 34.838 32.500 -0.203 0.000 1.421 383 K HN 0.357 nan 8.250 nan 0.000 0.444 384 I N 2.101 122.709 120.570 0.062 0.000 2.474 384 I HA 0.135 4.312 4.170 0.011 0.000 0.287 384 I C 0.768 177.082 176.117 0.328 0.000 1.048 384 I CA -0.370 61.017 61.300 0.144 0.000 1.383 384 I CB 0.599 38.669 38.000 0.118 0.000 1.412 384 I HN 0.757 nan 8.210 nan 0.000 0.531 385 A N 6.455 129.508 122.820 0.387 0.000 2.608 385 A HA -0.158 4.169 4.320 0.011 0.000 0.239 385 A C 0.673 178.578 177.584 0.534 0.000 1.018 385 A CA 0.315 52.684 52.037 0.554 0.000 0.766 385 A CB -0.619 18.704 19.000 0.538 0.000 0.928 385 A HN 0.840 nan 8.150 nan 0.000 0.512 386 H N 2.332 121.603 119.070 0.335 0.000 3.070 386 H HA 0.248 4.812 4.556 0.013 0.000 0.313 386 H C 0.263 175.697 175.328 0.177 0.000 0.997 386 H CA 1.547 57.602 56.048 0.012 0.000 1.438 386 H CB 0.157 29.548 29.762 -0.617 0.000 1.455 386 H HN 0.972 nan 8.280 nan 0.000 0.575 387 H N 3.004 121.897 119.070 -0.296 0.000 2.990 387 H HA 0.543 5.106 4.556 0.011 0.000 0.336 387 H C -1.053 173.885 175.328 -0.651 0.000 1.306 387 H CA -0.919 54.931 56.048 -0.331 0.000 1.118 387 H CB 1.227 30.897 29.762 -0.154 0.000 1.856 387 H HN 0.514 nan 8.280 nan 0.000 0.538 388 I N -2.010 118.098 120.570 -0.770 0.000 3.191 388 I HA 0.467 4.644 4.170 0.011 0.000 0.313 388 I C -1.193 174.751 176.117 -0.288 0.000 1.193 388 I CA -1.329 59.599 61.300 -0.619 0.000 0.968 388 I CB 2.565 40.086 38.000 -0.797 0.000 1.262 388 I HN 0.706 nan 8.210 nan 0.000 0.456 389 Q N 2.266 121.955 119.800 -0.185 0.000 2.314 389 Q HA 0.698 5.045 4.340 0.011 0.000 0.259 389 Q C -0.900 175.026 176.000 -0.124 0.000 0.951 389 Q CA -0.735 55.001 55.803 -0.111 0.000 0.909 389 Q CB 1.662 30.367 28.738 -0.054 0.000 1.236 389 Q HN 0.881 nan 8.270 nan 0.000 0.444 390 A N 4.317 127.072 122.820 -0.108 0.000 2.289 390 A HA 0.340 4.667 4.320 0.011 0.000 0.298 390 A C -0.130 177.427 177.584 -0.045 0.000 1.208 390 A CA -0.596 51.394 52.037 -0.077 0.000 0.845 390 A CB 0.424 19.389 19.000 -0.058 0.000 1.125 390 A HN 0.950 nan 8.150 nan 0.000 0.517 391 N N 0.993 119.672 118.700 -0.036 0.000 2.184 391 N HA 0.079 4.826 4.740 0.011 0.000 0.206 391 N C -0.703 174.795 175.510 -0.020 0.000 1.151 391 N CA 0.210 53.245 53.050 -0.025 0.000 0.878 391 N CB 0.328 38.801 38.487 -0.023 0.000 1.014 391 N HN 0.889 nan 8.380 nan 0.000 0.512 392 N N -2.875 115.813 118.700 -0.020 0.000 2.823 392 N HA 0.161 4.908 4.740 0.011 0.000 0.251 392 N C 0.374 175.875 175.510 -0.015 0.000 1.392 392 N CA -0.774 52.266 53.050 -0.018 0.000 0.864 392 N CB 0.972 39.449 38.487 -0.016 0.000 1.481 392 N HN -0.358 nan 8.380 nan 0.000 0.508 393 V N -0.114 119.787 119.914 -0.021 0.000 2.490 393 V HA -0.132 3.994 4.120 0.011 0.000 0.250 393 V C 1.923 178.014 176.094 -0.006 0.000 1.061 393 V CA 1.585 63.872 62.300 -0.022 0.000 1.064 393 V CB -0.675 31.123 31.823 -0.041 0.000 0.670 393 V HN 0.707 nan 8.190 nan 0.000 0.461 394 E N 0.033 120.227 120.200 -0.010 0.000 2.152 394 E HA -0.178 4.179 4.350 0.011 0.000 0.192 394 E C 1.960 178.588 176.600 0.047 0.000 0.983 394 E CA 1.016 57.420 56.400 0.006 0.000 0.818 394 E CB -0.237 29.453 29.700 -0.016 0.000 0.758 394 E HN 0.605 nan 8.360 nan 0.000 0.467 395 D N 0.783 121.205 120.400 0.035 0.000 2.116 395 D HA -0.182 4.465 4.640 0.011 0.000 0.193 395 D C 2.045 178.405 176.300 0.100 0.000 0.998 395 D CA 0.684 54.713 54.000 0.048 0.000 0.836 395 D CB -0.327 40.472 40.800 -0.002 0.000 0.951 395 D HN 0.129 nan 8.370 nan 0.000 0.449 396 L N 1.275 122.544 121.223 0.077 0.000 1.994 396 L HA -0.142 4.205 4.340 0.011 0.000 0.208 396 L C 1.907 178.895 176.870 0.196 0.000 1.071 396 L CA 1.819 56.731 54.840 0.120 0.000 0.745 396 L CB -0.463 41.626 42.059 0.049 0.000 0.892 396 L HN -0.124 nan 8.230 nan 0.000 0.431 397 K N -0.795 119.697 120.400 0.152 0.000 2.032 397 K HA -0.152 4.175 4.320 0.011 0.000 0.209 397 K C 2.169 179.006 176.600 0.395 0.000 1.048 397 K CA 1.706 58.143 56.287 0.250 0.000 0.927 397 K CB -0.411 32.211 32.500 0.203 0.000 0.712 397 K HN 0.315 nan 8.250 nan 0.000 0.441 398 S N 0.711 116.581 115.700 0.284 0.000 2.359 398 S HA -0.159 4.318 4.470 0.011 0.000 0.224 398 S C 1.661 176.441 174.600 0.299 0.000 1.035 398 S CA 1.262 59.621 58.200 0.265 0.000 1.018 398 S CB -0.325 62.987 63.200 0.186 0.000 0.876 398 S HN 0.255 nan 8.310 nan 0.000 0.448 399 F N 1.284 121.319 119.950 0.142 0.000 2.134 399 F HA -0.060 4.474 4.527 0.011 0.000 0.299 399 F C 1.871 177.729 175.800 0.097 0.000 1.097 399 F CA 1.033 59.114 58.000 0.133 0.000 1.264 399 F CB -0.597 38.464 39.000 0.102 0.000 1.001 399 F HN 0.249 nan 8.300 nan 0.000 0.479 400 F N -0.177 119.782 119.950 0.014 0.000 2.091 400 F HA -0.308 4.227 4.527 0.013 0.000 0.299 400 F C 2.043 177.620 175.800 -0.371 0.000 1.103 400 F CA 1.974 59.831 58.000 -0.240 0.000 1.228 400 F CB -1.117 37.718 39.000 -0.275 0.000 0.984 400 F HN 0.039 nan 8.300 nan 0.000 0.477 401 Y N 0.216 120.432 120.300 -0.141 0.000 2.242 401 Y HA -0.167 4.389 4.550 0.011 0.000 0.291 401 Y C 2.557 178.257 175.900 -0.333 0.000 1.137 401 Y CA 1.245 59.183 58.100 -0.270 0.000 1.181 401 Y CB -0.346 38.069 38.460 -0.074 0.000 0.989 401 Y HN -0.112 nan 8.280 nan 0.000 0.527 402 R N 0.030 120.457 120.500 -0.121 0.000 2.105 402 R HA -0.146 4.200 4.340 0.011 0.000 0.239 402 R C 2.393 178.434 176.300 -0.433 0.000 1.135 402 R CA 1.171 57.165 56.100 -0.176 0.000 0.967 402 R CB -1.254 29.023 30.300 -0.039 0.000 0.861 402 R HN 0.382 nan 8.270 nan 0.000 0.442 403 A N 1.787 124.144 122.820 -0.772 0.000 1.902 403 A HA -0.123 4.203 4.320 0.011 0.000 0.217 403 A C 2.229 179.278 177.584 -0.893 0.000 1.181 403 A CA 1.619 52.895 52.037 -1.268 0.000 0.623 403 A CB -0.528 17.679 19.000 -1.322 0.000 0.818 403 A HN 0.436 nan 8.150 nan 0.000 0.443 404 I N -2.072 118.021 120.570 -0.795 0.000 2.584 404 I HA -0.060 4.117 4.170 0.011 0.000 0.255 404 I C 2.316 178.190 176.117 -0.405 0.000 1.145 404 I CA 1.497 62.422 61.300 -0.624 0.000 1.462 404 I CB -0.564 36.978 38.000 -0.762 0.000 1.102 404 I HN 0.298 nan 8.210 nan 0.000 0.433 405 S N 1.547 117.038 115.700 -0.348 0.000 2.400 405 S HA -0.211 4.266 4.470 0.011 0.000 0.232 405 S C 1.529 175.999 174.600 -0.216 0.000 1.025 405 S CA 1.399 59.451 58.200 -0.247 0.000 0.993 405 S CB -0.798 62.276 63.200 -0.210 0.000 0.808 405 S HN 0.675 nan 8.310 nan 0.000 0.478 406 E N 0.793 120.835 120.200 -0.263 0.000 2.365 406 E HA 0.297 4.653 4.350 0.011 0.000 0.188 406 E C 1.145 177.615 176.600 -0.218 0.000 1.102 406 E CA 0.140 56.416 56.400 -0.207 0.000 0.927 406 E CB -0.559 29.023 29.700 -0.197 0.000 1.073 406 E HN 0.743 nan 8.360 nan 0.000 0.467 407 G N 0.871 109.535 108.800 -0.226 0.000 2.189 407 G HA2 -0.308 3.659 3.960 0.011 0.000 0.267 407 G HA3 -0.308 3.659 3.960 0.011 0.000 0.267 407 G C 0.631 175.393 174.900 -0.229 0.000 0.975 407 G CA -0.051 44.936 45.100 -0.188 0.000 0.644 407 G HN 0.531 nan 8.290 nan 0.000 0.537 408 G N -0.716 107.875 108.800 -0.348 0.000 2.667 408 G HA2 0.470 4.437 3.960 0.011 0.000 0.250 408 G HA3 0.470 4.437 3.960 0.011 0.000 0.250 408 G C 0.844 175.542 174.900 -0.337 0.000 1.212 408 G CA 0.459 45.325 45.100 -0.391 0.000 0.874 408 G HN 0.395 nan 8.290 nan 0.000 0.561 409 E N 0.186 120.222 120.200 -0.274 0.000 2.110 409 E HA 0.096 4.453 4.350 0.011 0.000 0.193 409 E C 1.467 177.944 176.600 -0.205 0.000 0.988 409 E CA 1.000 57.286 56.400 -0.190 0.000 0.804 409 E CB 0.032 29.652 29.700 -0.133 0.000 0.745 409 E HN 0.765 nan 8.360 nan 0.000 0.458 410 G N -0.035 108.577 108.800 -0.314 0.000 2.295 410 G HA2 0.052 4.019 3.960 0.011 0.000 0.155 410 G HA3 0.052 4.019 3.960 0.011 0.000 0.155 410 G C -1.019 173.762 174.900 -0.199 0.000 1.307 410 G CA -0.381 44.577 45.100 -0.236 0.000 1.140 410 G HN 0.432 nan 8.290 nan 0.000 0.470 411 V N -2.898 117.030 119.914 0.025 0.000 3.130 411 V HA 0.923 5.049 4.120 0.011 0.000 0.310 411 V C -0.431 175.671 176.094 0.013 0.000 1.158 411 V CA -1.180 61.136 62.300 0.028 0.000 1.029 411 V CB 2.108 34.040 31.823 0.182 0.000 1.057 411 V HN 0.934 nan 8.190 nan 0.000 0.436 412 M N 2.554 122.141 119.600 -0.022 0.000 2.181 412 M HA 0.592 5.079 4.480 0.011 0.000 0.323 412 M C -0.938 175.318 176.300 -0.074 0.000 1.004 412 M CA -0.480 54.769 55.300 -0.086 0.000 0.941 412 M CB 1.481 33.938 32.600 -0.239 0.000 1.579 412 M HN 0.615 nan 8.290 nan 0.000 0.427 413 V N 4.306 124.202 119.914 -0.031 0.000 2.394 413 V HA 0.492 4.619 4.120 0.011 0.000 0.282 413 V C -0.030 176.057 176.094 -0.013 0.000 1.031 413 V CA -0.712 61.582 62.300 -0.011 0.000 0.881 413 V CB 1.551 33.392 31.823 0.030 0.000 0.982 413 V HN 0.715 nan 8.190 nan 0.000 0.451 414 K N 3.232 123.606 120.400 -0.043 0.000 2.471 414 K HA 0.758 5.084 4.320 0.011 0.000 0.252 414 K C -0.242 176.402 176.600 0.073 0.000 0.938 414 K CA -0.527 55.755 56.287 -0.007 0.000 0.796 414 K CB 2.481 34.835 32.500 -0.242 0.000 1.161 414 K HN 0.789 nan 8.250 nan 0.000 0.425 415 A N 3.245 126.160 122.820 0.158 0.000 2.466 415 A HA 0.364 4.691 4.320 0.011 0.000 0.238 415 A C 0.259 177.908 177.584 0.109 0.000 1.074 415 A CA -0.114 51.997 52.037 0.125 0.000 0.774 415 A CB -0.267 18.821 19.000 0.146 0.000 1.015 415 A HN 0.811 nan 8.150 nan 0.000 0.498 416 I N -2.100 118.514 120.570 0.075 0.000 3.067 416 I HA 0.949 5.126 4.170 0.011 0.000 0.312 416 I C 0.436 176.589 176.117 0.060 0.000 1.073 416 I CA -0.291 61.049 61.300 0.066 0.000 1.016 416 I CB 1.903 39.926 38.000 0.039 0.000 1.227 416 I HN 1.602 nan 8.210 nan 0.000 0.456 417 G N 2.141 110.975 108.800 0.055 0.000 2.566 417 G HA2 -0.138 3.828 3.960 0.011 0.000 0.599 417 G HA3 -0.138 3.828 3.960 0.011 0.000 0.599 417 G C 0.114 175.045 174.900 0.051 0.000 1.292 417 G CA -0.179 44.948 45.100 0.045 0.000 0.922 417 G HN 0.765 nan 8.290 nan 0.000 0.514 418 K N -0.255 120.169 120.400 0.040 0.000 2.209 418 K HA -0.041 4.286 4.320 0.011 0.000 0.204 418 K C 1.882 178.508 176.600 0.043 0.000 1.048 418 K CA 1.788 58.097 56.287 0.037 0.000 0.940 418 K CB -0.324 32.191 32.500 0.025 0.000 0.729 418 K HN 0.478 nan 8.250 nan 0.000 0.451 419 D N 0.043 120.471 120.400 0.047 0.000 2.347 419 D HA -0.030 4.617 4.640 0.011 0.000 0.215 419 D C 0.334 176.674 176.300 0.067 0.000 0.976 419 D CA 0.350 54.381 54.000 0.051 0.000 0.884 419 D CB 0.093 40.924 40.800 0.052 0.000 0.915 419 D HN 0.057 nan 8.370 nan 0.000 0.526 420 A N 0.918 123.790 122.820 0.086 0.000 3.074 420 A HA 0.315 4.642 4.320 0.011 0.000 0.251 420 A C 0.444 178.114 177.584 0.142 0.000 1.695 420 A CA -0.367 51.746 52.037 0.126 0.000 1.343 420 A CB -1.494 17.590 19.000 0.140 0.000 1.078 420 A HN 0.176 nan 8.150 nan 0.000 0.644 421 I N -3.467 117.164 120.570 0.101 0.000 3.244 421 I HA 0.418 4.595 4.170 0.011 0.000 0.314 421 I C 0.038 176.222 176.117 0.111 0.000 1.043 421 I CA -1.491 59.879 61.300 0.116 0.000 1.099 421 I CB 0.091 38.136 38.000 0.076 0.000 1.449 421 I HN 0.266 nan 8.210 nan 0.000 0.625 422 Y N 1.413 121.740 120.300 0.046 0.000 2.477 422 Y HA 0.351 4.907 4.550 0.011 0.000 0.349 422 Y C 0.178 176.034 175.900 -0.074 0.000 0.977 422 Y CA 0.001 58.100 58.100 -0.001 0.000 1.214 422 Y CB 0.507 39.005 38.460 0.063 0.000 1.124 422 Y HN 0.617 nan 8.280 nan 0.000 0.521 423 Q N 5.386 124.892 119.800 -0.489 0.000 2.673 423 Q HA 0.466 4.813 4.340 0.011 0.000 0.224 423 Q C -0.337 175.463 176.000 -0.334 0.000 1.226 423 Q CA -0.618 55.000 55.803 -0.308 0.000 1.019 423 Q CB 0.224 28.771 28.738 -0.319 0.000 1.312 423 Q HN 0.853 nan 8.270 nan 0.000 0.566 424 A N 1.762 124.537 122.820 -0.075 0.000 2.566 424 A HA 0.351 4.678 4.320 0.011 0.000 0.245 424 A C 1.309 178.866 177.584 -0.045 0.000 1.056 424 A CA 0.876 52.937 52.037 0.040 0.000 0.757 424 A CB -0.393 18.687 19.000 0.135 0.000 0.979 424 A HN 1.081 nan 8.150 nan 0.000 0.508 425 G N 0.805 109.570 108.800 -0.058 0.000 2.179 425 G HA2 0.161 4.127 3.960 0.011 0.000 0.260 425 G HA3 0.161 4.127 3.960 0.011 0.000 0.260 425 G C 0.419 175.274 174.900 -0.076 0.000 0.977 425 G CA 0.611 45.692 45.100 -0.032 0.000 0.641 425 G HN 2.278 nan 8.290 nan 0.000 0.533 426 A N -0.438 122.289 122.820 -0.155 0.000 2.355 426 A HA 0.882 5.208 4.320 0.011 0.000 0.324 426 A C 0.137 177.588 177.584 -0.222 0.000 1.117 426 A CA 0.004 51.944 52.037 -0.163 0.000 0.785 426 A CB 1.061 19.964 19.000 -0.160 0.000 1.254 426 A HN 0.884 nan 8.150 nan 0.000 0.453 427 R N 1.587 121.970 120.500 -0.196 0.000 2.265 427 R HA 0.578 4.924 4.340 0.011 0.000 0.328 427 R C 0.143 176.264 176.300 -0.298 0.000 0.969 427 R CA 0.423 56.382 56.100 -0.234 0.000 0.832 427 R CB 0.813 30.997 30.300 -0.194 0.000 1.139 427 R HN 0.998 nan 8.270 nan 0.000 0.457 428 G N 2.179 110.774 108.800 -0.342 0.000 2.815 428 G HA2 0.160 4.127 3.960 0.011 0.000 0.305 428 G HA3 0.160 4.127 3.960 0.011 0.000 0.305 428 G C -0.890 173.758 174.900 -0.420 0.000 1.277 428 G CA -0.827 44.018 45.100 -0.424 0.000 0.795 428 G HN 0.713 nan 8.290 nan 0.000 0.528 429 W N 0.191 121.486 121.300 -0.008 0.000 3.256 429 W HA 0.277 4.944 4.660 0.011 0.000 0.269 429 W C 2.064 178.618 176.519 0.057 0.000 1.310 429 W CA -0.312 57.046 57.345 0.022 0.000 1.673 429 W CB 0.096 29.563 29.460 0.012 0.000 1.115 429 W HN 0.141 nan 8.180 nan 0.000 0.686 430 L N -1.081 120.262 121.223 0.200 0.000 2.217 430 L HA -0.046 4.301 4.340 0.011 0.000 0.211 430 L C 0.242 177.385 176.870 0.455 0.000 1.107 430 L CA 0.774 55.755 54.840 0.236 0.000 0.783 430 L CB -0.286 41.836 42.059 0.104 0.000 0.919 430 L HN -0.037 nan 8.230 nan 0.000 0.442 431 W N 0.314 121.626 121.300 0.020 0.000 2.739 431 W HA 0.585 5.252 4.660 0.012 0.000 0.331 431 W C -0.706 175.822 176.519 0.015 0.000 1.049 431 W CA -1.374 55.977 57.345 0.010 0.000 1.234 431 W CB 0.973 30.415 29.460 -0.029 0.000 1.404 431 W HN -0.281 nan 8.180 nan 0.000 0.477 432 I N 3.699 124.413 120.570 0.239 0.000 2.499 432 I HA 0.299 4.476 4.170 0.011 0.000 0.288 432 I C -0.137 176.038 176.117 0.096 0.000 1.048 432 I CA -1.260 60.145 61.300 0.174 0.000 1.062 432 I CB 1.864 40.007 38.000 0.238 0.000 1.238 432 I HN 0.230 nan 8.210 nan 0.000 0.426 433 K N 6.454 126.893 120.400 0.066 0.000 2.205 433 K HA 0.601 4.928 4.320 0.011 0.000 0.279 433 K C -0.983 175.625 176.600 0.014 0.000 1.027 433 K CA -0.608 55.696 56.287 0.028 0.000 0.932 433 K CB 2.221 34.730 32.500 0.014 0.000 1.032 433 K HN 0.529 nan 8.250 nan 0.000 0.466 434 L N 3.454 124.678 121.223 0.002 0.000 2.318 434 L HA 0.357 4.704 4.340 0.011 0.000 0.277 434 L C -0.962 175.932 176.870 0.039 0.000 1.008 434 L CA -0.544 54.255 54.840 -0.068 0.000 0.846 434 L CB 1.163 43.129 42.059 -0.155 0.000 1.220 434 L HN 0.778 nan 8.230 nan 0.000 0.423 435 K N 2.273 122.689 120.400 0.026 0.000 2.185 435 K HA 0.476 4.803 4.320 0.011 0.000 0.240 435 K C 1.165 177.884 176.600 0.197 0.000 0.983 435 K CA -0.202 56.156 56.287 0.118 0.000 0.873 435 K CB 1.737 34.255 32.500 0.029 0.000 1.118 435 K HN 0.621 nan 8.250 nan 0.000 0.441 436 R N 0.943 121.550 120.500 0.178 0.000 2.228 436 R HA -0.224 4.122 4.340 0.011 0.000 0.259 436 R C 1.680 178.038 176.300 0.097 0.000 1.183 436 R CA 2.809 58.994 56.100 0.141 0.000 1.002 436 R CB -2.200 28.094 30.300 -0.009 0.000 0.879 436 R HN 0.904 nan 8.270 nan 0.000 0.467 437 D N -2.086 118.341 120.400 0.045 0.000 2.420 437 D HA 0.103 4.750 4.640 0.011 0.000 0.233 437 D C 1.652 177.947 176.300 -0.010 0.000 1.017 437 D CA 0.888 54.895 54.000 0.012 0.000 0.951 437 D CB -1.288 39.511 40.800 -0.002 0.000 0.877 437 D HN 1.040 nan 8.370 nan 0.000 0.528 438 Y N -0.601 119.688 120.300 -0.019 0.000 2.542 438 Y HA 0.341 4.898 4.550 0.011 0.000 0.326 438 Y C 1.870 177.776 175.900 0.011 0.000 1.218 438 Y CA 0.652 58.703 58.100 -0.082 0.000 1.277 438 Y CB -1.285 36.997 38.460 -0.296 0.000 1.064 438 Y HN 0.438 nan 8.280 nan 0.000 0.499 439 Q N 1.190 121.008 119.800 0.031 0.000 2.800 439 Q HA 0.301 4.648 4.340 0.011 0.000 0.261 439 Q C 1.611 177.627 176.000 0.026 0.000 1.093 439 Q CA 0.619 56.446 55.803 0.041 0.000 0.943 439 Q CB -0.232 28.525 28.738 0.031 0.000 1.591 439 Q HN 0.846 nan 8.270 nan 0.000 0.429 440 S N -0.409 115.306 115.700 0.024 0.000 3.171 440 S HA 0.129 4.606 4.470 0.011 0.000 0.258 440 S C 1.660 176.278 174.600 0.030 0.000 1.083 440 S CA 0.411 58.621 58.200 0.017 0.000 0.801 440 S CB -0.067 63.134 63.200 0.001 0.000 0.831 440 S HN 0.393 nan 8.310 nan 0.000 0.462 441 E N 0.475 120.698 120.200 0.038 0.000 2.002 441 E HA 0.495 4.852 4.350 0.011 0.000 0.196 441 E C 1.586 178.239 176.600 0.089 0.000 0.974 441 E CA 1.340 57.776 56.400 0.061 0.000 0.853 441 E CB -1.452 28.281 29.700 0.056 0.000 0.808 441 E HN 1.253 nan 8.360 nan 0.000 0.492 442 M N 1.187 120.866 119.600 0.132 0.000 3.102 442 M HA 0.678 5.165 4.480 0.011 0.000 0.269 442 M C 1.286 177.647 176.300 0.102 0.000 1.551 442 M CA 0.612 55.990 55.300 0.130 0.000 1.629 442 M CB -1.371 31.339 32.600 0.184 0.000 1.324 442 M HN 0.990 nan 8.290 nan 0.000 0.509 443 A N 1.862 124.722 122.820 0.067 0.000 2.275 443 A HA 0.461 4.788 4.320 0.011 0.000 0.212 443 A C 0.407 178.012 177.584 0.035 0.000 1.201 443 A CA 0.630 52.696 52.037 0.047 0.000 0.843 443 A CB -0.213 18.807 19.000 0.033 0.000 0.873 443 A HN 1.020 nan 8.150 nan 0.000 0.492 444 D N -1.548 118.871 120.400 0.033 0.000 2.788 444 D HA 0.423 5.070 4.640 0.011 0.000 0.247 444 D C -0.748 175.555 176.300 0.005 0.000 1.236 444 D CA -0.198 53.813 54.000 0.020 0.000 0.898 444 D CB 1.400 42.213 40.800 0.022 0.000 1.401 444 D HN -0.113 nan 8.370 nan 0.000 0.549 445 T N 2.242 116.796 114.554 -0.000 0.000 2.840 445 T HA 0.603 4.959 4.350 0.011 0.000 0.287 445 T C -0.695 173.994 174.700 -0.018 0.000 0.991 445 T CA -0.440 61.647 62.100 -0.021 0.000 0.964 445 T CB 0.736 69.588 68.868 -0.027 0.000 0.954 445 T HN 0.698 nan 8.240 nan 0.000 0.438 446 V N 1.677 121.574 119.914 -0.029 0.000 3.040 446 V HA 0.771 4.898 4.120 0.011 0.000 0.312 446 V C -1.226 174.860 176.094 -0.014 0.000 1.115 446 V CA -1.066 61.230 62.300 -0.007 0.000 0.998 446 V CB 2.380 34.208 31.823 0.009 0.000 1.042 446 V HN 0.748 nan 8.190 nan 0.000 0.433 447 D N 3.214 123.625 120.400 0.018 0.000 2.349 447 D HA 0.715 5.362 4.640 0.011 0.000 0.232 447 D C -0.515 175.830 176.300 0.075 0.000 1.071 447 D CA 0.163 54.184 54.000 0.034 0.000 0.832 447 D CB 1.877 42.704 40.800 0.045 0.000 1.086 447 D HN 0.588 nan 8.370 nan 0.000 0.504 448 L N 0.865 122.138 121.223 0.084 0.000 2.309 448 L HA 0.569 4.916 4.340 0.011 0.000 0.261 448 L C -0.304 176.649 176.870 0.138 0.000 1.021 448 L CA -1.333 53.577 54.840 0.117 0.000 0.823 448 L CB 2.220 44.336 42.059 0.096 0.000 1.366 448 L HN -0.039 nan 8.230 nan 0.000 0.423 449 V N 1.710 121.699 119.914 0.124 0.000 2.427 449 V HA 0.260 4.387 4.120 0.011 0.000 0.286 449 V C 0.092 176.233 176.094 0.079 0.000 1.034 449 V CA -0.735 61.586 62.300 0.034 0.000 0.893 449 V CB 1.776 33.454 31.823 -0.241 0.000 0.982 449 V HN 0.378 nan 8.190 nan 0.000 0.452 450 V N 6.046 126.046 119.914 0.143 0.000 2.470 450 V HA 0.100 4.227 4.120 0.011 0.000 0.276 450 V C 0.919 177.059 176.094 0.076 0.000 1.040 450 V CA 0.502 62.911 62.300 0.181 0.000 1.008 450 V CB 1.220 33.229 31.823 0.309 0.000 0.990 450 V HN 0.855 nan 8.190 nan 0.000 0.477 451 V N 1.863 121.844 119.914 0.113 0.000 3.556 451 V HA 0.791 4.918 4.120 0.011 0.000 0.287 451 V C 0.596 176.823 176.094 0.221 0.000 1.422 451 V CA 0.702 63.090 62.300 0.147 0.000 1.038 451 V CB 0.177 32.129 31.823 0.214 0.000 0.850 451 V HN 0.963 nan 8.190 nan 0.000 0.437 452 G N -1.350 107.501 108.800 0.085 0.000 2.451 452 G HA2 0.621 4.588 3.960 0.011 0.000 0.292 452 G HA3 0.621 4.588 3.960 0.011 0.000 0.292 452 G C -0.821 173.960 174.900 -0.198 0.000 1.427 452 G CA -0.072 44.964 45.100 -0.106 0.000 0.792 452 G HN 0.823 nan 8.290 nan 0.000 0.498 453 G N -1.501 107.061 108.800 -0.396 0.000 2.605 453 G HA2 0.755 4.722 3.960 0.011 0.000 0.296 453 G HA3 0.755 4.722 3.960 0.011 0.000 0.296 453 G C -1.790 172.698 174.900 -0.686 0.000 1.304 453 G CA -0.771 44.100 45.100 -0.382 0.000 0.941 453 G HN 0.491 nan 8.290 nan 0.000 0.475 454 F N -0.424 119.357 119.950 -0.282 0.000 2.540 454 F HA 0.467 5.000 4.527 0.011 0.000 0.317 454 F C -0.346 175.264 175.800 -0.316 0.000 1.104 454 F CA -0.734 57.115 58.000 -0.251 0.000 0.913 454 F CB 1.922 40.853 39.000 -0.115 0.000 1.170 454 F HN 0.357 nan 8.300 nan 0.000 0.450 455 Y N 1.266 121.625 120.300 0.098 0.000 2.397 455 Y HA 0.383 4.939 4.550 0.011 0.000 0.335 455 Y C 1.171 177.108 175.900 0.062 0.000 1.213 455 Y CA 0.151 58.279 58.100 0.046 0.000 1.391 455 Y CB 0.405 38.875 38.460 0.016 0.000 1.293 455 Y HN 0.746 nan 8.280 nan 0.000 0.557 456 G N 2.297 111.206 108.800 0.180 0.000 2.489 456 G HA2 0.361 4.328 3.960 0.011 0.000 0.271 456 G HA3 0.361 4.328 3.960 0.011 0.000 0.271 456 G C -0.542 174.417 174.900 0.099 0.000 1.427 456 G CA -0.686 44.475 45.100 0.102 0.000 1.057 456 G HN 0.390 nan 8.290 nan 0.000 0.532 457 K N -1.161 119.273 120.400 0.057 0.000 2.352 457 K HA 0.646 4.972 4.320 0.011 0.000 0.240 457 K C 0.654 177.270 176.600 0.026 0.000 1.017 457 K CA 0.133 56.444 56.287 0.040 0.000 0.851 457 K CB 1.182 33.699 32.500 0.029 0.000 1.261 457 K HN 1.162 nan 8.250 nan 0.000 0.451 458 G N 1.535 110.345 108.800 0.016 0.000 2.561 458 G HA2 -0.392 3.575 3.960 0.011 0.000 0.289 458 G HA3 -0.392 3.575 3.960 0.011 0.000 0.289 458 G C 0.663 175.567 174.900 0.006 0.000 1.169 458 G CA 0.603 45.708 45.100 0.009 0.000 0.980 458 G HN 0.554 nan 8.290 nan 0.000 0.550 459 K N 0.968 121.371 120.400 0.006 0.000 2.217 459 K HA 0.031 4.358 4.320 0.011 0.000 0.202 459 K C 2.133 178.738 176.600 0.008 0.000 1.051 459 K CA 1.341 57.630 56.287 0.003 0.000 0.952 459 K CB 0.003 32.505 32.500 0.003 0.000 0.736 459 K HN 0.553 nan 8.250 nan 0.000 0.453 460 R N 0.204 120.714 120.500 0.017 0.000 2.893 460 R HA 0.125 4.472 4.340 0.011 0.000 0.317 460 R C 0.989 177.319 176.300 0.051 0.000 1.239 460 R CA -0.058 56.059 56.100 0.029 0.000 1.128 460 R CB 0.062 30.378 30.300 0.026 0.000 1.377 460 R HN 0.033 nan 8.270 nan 0.000 0.583 461 G N -0.421 108.399 108.800 0.033 0.000 2.744 461 G HA2 -0.080 3.887 3.960 0.011 0.000 0.211 461 G HA3 -0.080 3.887 3.960 0.011 0.000 0.211 461 G C 0.973 175.873 174.900 -0.000 0.000 1.143 461 G CA 0.286 45.408 45.100 0.036 0.000 0.788 461 G HN 0.482 nan 8.290 nan 0.000 0.534 462 G N -0.249 108.554 108.800 0.006 0.000 2.887 462 G HA2 0.216 4.182 3.960 0.011 0.000 0.211 462 G HA3 0.216 4.182 3.960 0.011 0.000 0.211 462 G C 0.619 175.603 174.900 0.140 0.000 1.152 462 G CA -0.260 44.820 45.100 -0.033 0.000 0.769 462 G HN 0.359 nan 8.290 nan 0.000 0.541 463 K N 0.302 120.826 120.400 0.208 0.000 2.221 463 K HA 0.484 4.811 4.320 0.011 0.000 0.258 463 K C -0.965 175.730 176.600 0.158 0.000 0.944 463 K CA -0.879 55.515 56.287 0.179 0.000 0.823 463 K CB 2.582 35.114 32.500 0.054 0.000 1.113 463 K HN -0.062 nan 8.250 nan 0.000 0.431 464 I N 2.262 122.808 120.570 -0.041 0.000 2.668 464 I HA -0.129 4.048 4.170 0.011 0.000 0.285 464 I C 0.742 176.749 176.117 -0.183 0.000 1.168 464 I CA 0.936 62.092 61.300 -0.241 0.000 1.424 464 I CB 0.582 38.382 38.000 -0.333 0.000 1.377 464 I HN 0.726 nan 8.210 nan 0.000 0.560 465 S N 2.036 117.647 115.700 -0.149 0.000 3.053 465 S HA 0.326 4.803 4.470 0.011 0.000 0.255 465 S C 0.102 174.627 174.600 -0.125 0.000 0.976 465 S CA -0.529 57.564 58.200 -0.179 0.000 1.159 465 S CB 0.385 63.544 63.200 -0.068 0.000 1.110 465 S HN 0.525 nan 8.310 nan 0.000 0.633 466 S N 1.048 116.709 115.700 -0.065 0.000 2.592 466 S HA 0.660 5.136 4.470 0.011 0.000 0.275 466 S C -1.539 173.178 174.600 0.196 0.000 1.169 466 S CA -0.627 57.632 58.200 0.098 0.000 0.958 466 S CB 0.819 64.085 63.200 0.110 0.000 1.095 466 S HN 0.431 nan 8.310 nan 0.000 0.471 467 L N 3.951 125.315 121.223 0.234 0.000 2.329 467 L HA 0.614 4.960 4.340 0.011 0.000 0.279 467 L C -0.630 176.419 176.870 0.298 0.000 1.014 467 L CA -1.079 53.900 54.840 0.232 0.000 0.814 467 L CB 1.687 43.896 42.059 0.251 0.000 1.257 467 L HN 0.543 nan 8.230 nan 0.000 0.424 468 L N 4.629 126.012 121.223 0.268 0.000 2.325 468 L HA 0.361 4.707 4.340 0.011 0.000 0.284 468 L C -0.279 176.723 176.870 0.220 0.000 1.089 468 L CA 0.413 55.423 54.840 0.283 0.000 0.836 468 L CB 0.354 42.535 42.059 0.202 0.000 1.184 468 L HN 0.458 nan 8.230 nan 0.000 0.444 469 M N 4.625 124.348 119.600 0.204 0.000 2.472 469 M HA 0.741 5.228 4.480 0.011 0.000 0.331 469 M C -0.198 176.199 176.300 0.163 0.000 1.170 469 M CA -0.569 54.831 55.300 0.166 0.000 1.009 469 M CB 1.345 34.020 32.600 0.125 0.000 1.672 469 M HN 0.656 nan 8.290 nan 0.000 0.453 470 A N 1.212 124.136 122.820 0.172 0.000 2.515 470 A HA 0.931 5.258 4.320 0.011 0.000 0.298 470 A C -1.010 176.720 177.584 0.243 0.000 1.059 470 A CA -0.651 51.518 52.037 0.219 0.000 0.698 470 A CB 1.403 20.584 19.000 0.301 0.000 1.289 470 A HN 0.912 nan 8.150 nan 0.000 0.404 471 A N 0.323 123.284 122.820 0.235 0.000 2.282 471 A HA 0.643 4.970 4.320 0.011 0.000 0.319 471 A C -0.895 176.890 177.584 0.336 0.000 1.121 471 A CA -0.360 51.820 52.037 0.239 0.000 0.836 471 A CB 0.401 19.482 19.000 0.136 0.000 1.146 471 A HN 1.375 nan 8.150 nan 0.000 0.494 472 Y N 2.081 122.483 120.300 0.170 0.000 2.327 472 Y HA 0.347 4.905 4.550 0.012 0.000 0.336 472 Y C 0.069 175.945 175.900 -0.039 0.000 1.035 472 Y CA -0.970 57.162 58.100 0.054 0.000 1.165 472 Y CB 0.755 39.270 38.460 0.092 0.000 1.181 472 Y HN 0.655 nan 8.280 nan 0.000 0.494 473 N N 8.769 127.069 118.700 -0.666 0.000 2.527 473 N HA 0.265 5.012 4.740 0.011 0.000 0.236 473 N C -2.234 172.682 175.510 -0.989 0.000 0.999 473 N CA -2.468 50.216 53.050 -0.611 0.000 0.935 473 N CB 1.443 39.731 38.487 -0.331 0.000 1.132 473 N HN 0.388 nan 8.380 nan 0.000 0.511 474 P HA -0.072 nan 4.420 nan 0.000 0.221 474 P C 0.620 177.732 177.300 -0.314 0.000 1.150 474 P CA 1.095 63.805 63.100 -0.650 0.000 0.800 474 P CB 0.677 32.248 31.700 -0.214 0.000 0.787 475 K N 0.064 120.315 120.400 -0.248 0.000 2.026 475 K HA -0.074 4.253 4.320 0.011 0.000 0.208 475 K C 2.071 178.584 176.600 -0.145 0.000 1.048 475 K CA 2.180 58.378 56.287 -0.149 0.000 0.929 475 K CB -0.927 31.503 32.500 -0.116 0.000 0.713 475 K HN 0.272 nan 8.250 nan 0.000 0.439 476 T N -2.177 112.262 114.554 -0.191 0.000 3.086 476 T HA 0.046 4.403 4.350 0.011 0.000 0.250 476 T C 0.151 174.750 174.700 -0.169 0.000 1.074 476 T CA 0.257 62.267 62.100 -0.150 0.000 0.988 476 T CB -0.061 68.729 68.868 -0.131 0.000 0.988 476 T HN 0.233 nan 8.240 nan 0.000 0.530 477 D N 0.429 120.670 120.400 -0.265 0.000 2.689 477 D HA -0.155 4.492 4.640 0.011 0.000 0.237 477 D C -0.683 175.482 176.300 -0.226 0.000 1.148 477 D CA 0.524 54.410 54.000 -0.191 0.000 0.656 477 D CB -1.412 39.380 40.800 -0.014 0.000 1.050 477 D HN 0.497 nan 8.370 nan 0.000 0.426 478 S N -0.349 115.110 115.700 -0.403 0.000 2.632 478 S HA 0.771 5.248 4.470 0.011 0.000 0.289 478 S C -0.674 173.614 174.600 -0.519 0.000 1.115 478 S CA -0.738 57.250 58.200 -0.355 0.000 0.889 478 S CB 0.991 64.104 63.200 -0.146 0.000 1.116 478 S HN 0.175 nan 8.310 nan 0.000 0.486 479 F N 1.647 121.684 119.950 0.145 0.000 2.411 479 F HA 0.416 4.950 4.527 0.012 0.000 0.352 479 F C 0.596 176.467 175.800 0.119 0.000 1.123 479 F CA -0.552 57.543 58.000 0.159 0.000 1.044 479 F CB 1.129 40.227 39.000 0.162 0.000 1.135 479 F HN 0.388 nan 8.300 nan 0.000 0.461 480 E N 1.643 121.989 120.200 0.244 0.000 2.145 480 E HA 0.289 4.646 4.350 0.011 0.000 0.270 480 E C -0.604 176.124 176.600 0.213 0.000 0.906 480 E CA -0.813 55.694 56.400 0.179 0.000 0.761 480 E CB 1.698 31.453 29.700 0.091 0.000 1.116 480 E HN 0.603 nan 8.360 nan 0.000 0.408 481 S N 1.405 117.257 115.700 0.254 0.000 2.552 481 S HA 0.041 4.518 4.470 0.011 0.000 0.289 481 S C 0.725 175.462 174.600 0.228 0.000 1.304 481 S CA -0.528 57.860 58.200 0.313 0.000 1.063 481 S CB 0.826 64.299 63.200 0.455 0.000 0.848 481 S HN 0.351 nan 8.310 nan 0.000 0.499 482 V N 1.902 121.824 119.914 0.013 0.000 3.371 482 V HA 0.247 4.374 4.120 0.011 0.000 0.246 482 V C 0.831 176.534 176.094 -0.653 0.000 1.303 482 V CA 0.317 62.485 62.300 -0.220 0.000 1.156 482 V CB -0.674 31.106 31.823 -0.071 0.000 0.929 482 V HN 1.250 nan 8.190 nan 0.000 0.459 483 C N -0.817 118.202 119.300 -0.470 0.000 3.295 483 C HA 0.688 5.155 4.460 0.011 0.000 0.341 483 C C -1.052 173.949 174.990 0.019 0.000 1.418 483 C CA -1.268 57.523 59.018 -0.379 0.000 1.240 483 C CB 1.672 29.301 27.740 -0.185 0.000 1.562 483 C HN 0.326 nan 8.230 nan 0.000 0.457 484 K N 1.351 121.801 120.400 0.085 0.000 2.394 484 K HA 0.705 5.032 4.320 0.011 0.000 0.260 484 K C -1.408 175.239 176.600 0.078 0.000 0.967 484 K CA -0.326 56.042 56.287 0.134 0.000 0.855 484 K CB 1.507 34.028 32.500 0.034 0.000 1.101 484 K HN 0.719 nan 8.250 nan 0.000 0.433 485 V N 3.582 123.577 119.914 0.134 0.000 2.398 485 V HA 0.464 4.590 4.120 0.011 0.000 0.286 485 V C 0.456 176.688 176.094 0.229 0.000 1.026 485 V CA -0.343 62.037 62.300 0.133 0.000 0.868 485 V CB 1.160 33.055 31.823 0.120 0.000 0.982 485 V HN 0.982 nan 8.190 nan 0.000 0.443 486 A N 3.237 126.163 122.820 0.176 0.000 2.226 486 A HA 0.394 4.721 4.320 0.011 0.000 0.207 486 A C 0.950 178.682 177.584 0.246 0.000 1.293 486 A CA 0.318 52.496 52.037 0.235 0.000 0.968 486 A CB 0.320 19.381 19.000 0.102 0.000 1.044 486 A HN 0.759 nan 8.150 nan 0.000 0.493 487 S N -1.652 114.105 115.700 0.095 0.000 2.608 487 S HA 0.629 5.106 4.470 0.011 0.000 0.291 487 S C 0.871 175.401 174.600 -0.117 0.000 1.146 487 S CA 0.054 58.275 58.200 0.034 0.000 1.043 487 S CB 1.532 64.737 63.200 0.008 0.000 1.037 487 S HN 1.652 nan 8.310 nan 0.000 0.520 488 G N 0.228 108.979 108.800 -0.083 0.000 2.284 488 G HA2 -0.167 3.800 3.960 0.011 0.000 0.201 488 G HA3 -0.167 3.800 3.960 0.011 0.000 0.201 488 G C -0.236 174.619 174.900 -0.075 0.000 0.998 488 G CA -0.754 44.270 45.100 -0.128 0.000 0.651 488 G HN 0.606 nan 8.290 nan 0.000 0.489 489 F N 3.479 123.450 119.950 0.035 0.000 2.445 489 F HA 0.537 5.070 4.527 0.010 0.000 0.359 489 F C 1.462 177.269 175.800 0.012 0.000 1.101 489 F CA -0.006 57.949 58.000 -0.075 0.000 1.177 489 F CB 1.248 40.110 39.000 -0.231 0.000 1.110 489 F HN 0.245 nan 8.300 nan 0.000 0.522 490 S N 1.347 117.174 115.700 0.213 0.000 2.580 490 S HA -0.013 4.464 4.470 0.011 0.000 0.266 490 S C 0.972 175.654 174.600 0.138 0.000 1.354 490 S CA -0.756 57.543 58.200 0.164 0.000 1.008 490 S CB 0.756 64.043 63.200 0.144 0.000 0.898 490 S HN 0.642 nan 8.310 nan 0.000 0.555 491 D N 0.900 121.364 120.400 0.106 0.000 2.149 491 D HA -0.183 4.464 4.640 0.011 0.000 0.194 491 D C 1.815 178.148 176.300 0.054 0.000 1.001 491 D CA 2.018 56.059 54.000 0.070 0.000 0.849 491 D CB -0.350 40.485 40.800 0.058 0.000 0.939 491 D HN 0.910 nan 8.370 nan 0.000 0.449 492 E N 0.316 120.555 120.200 0.066 0.000 2.047 492 E HA -0.191 4.166 4.350 0.011 0.000 0.191 492 E C 2.052 178.690 176.600 0.063 0.000 0.987 492 E CA 0.938 57.371 56.400 0.055 0.000 0.799 492 E CB 0.024 29.760 29.700 0.059 0.000 0.752 492 E HN 0.270 nan 8.360 nan 0.000 0.449 493 Q N 0.352 120.217 119.800 0.110 0.000 2.096 493 Q HA -0.171 4.175 4.340 0.011 0.000 0.204 493 Q C 2.441 178.453 176.000 0.020 0.000 0.982 493 Q CA 1.563 57.454 55.803 0.147 0.000 0.850 493 Q CB -0.127 28.754 28.738 0.239 0.000 0.901 493 Q HN 0.381 nan 8.270 nan 0.000 0.422 494 L N 0.705 121.912 121.223 -0.026 0.000 2.012 494 L HA -0.259 4.088 4.340 0.011 0.000 0.210 494 L C 1.827 178.626 176.870 -0.118 0.000 1.073 494 L CA 1.189 55.934 54.840 -0.160 0.000 0.748 494 L CB -0.402 41.609 42.059 -0.079 0.000 0.891 494 L HN 0.270 nan 8.230 nan 0.000 0.431 495 D N -0.330 120.041 120.400 -0.048 0.000 2.178 495 D HA -0.181 4.466 4.640 0.011 0.000 0.202 495 D C 2.064 178.336 176.300 -0.047 0.000 0.974 495 D CA 1.042 55.020 54.000 -0.037 0.000 0.841 495 D CB -0.023 40.769 40.800 -0.012 0.000 0.953 495 D HN 0.366 nan 8.370 nan 0.000 0.478 496 E N 0.061 120.237 120.200 -0.041 0.000 2.268 496 E HA -0.041 4.316 4.350 0.011 0.000 0.195 496 E C 2.217 178.754 176.600 -0.104 0.000 0.995 496 E CA 0.076 56.441 56.400 -0.058 0.000 0.836 496 E CB 0.049 29.729 29.700 -0.034 0.000 0.763 496 E HN 0.248 nan 8.360 nan 0.000 0.491 497 L N 0.506 121.657 121.223 -0.120 0.000 2.042 497 L HA -0.275 4.072 4.340 0.011 0.000 0.210 497 L C 2.635 179.423 176.870 -0.137 0.000 1.076 497 L CA 1.272 56.017 54.840 -0.158 0.000 0.749 497 L CB -0.382 41.524 42.059 -0.254 0.000 0.893 497 L HN 0.202 nan 8.230 nan 0.000 0.432 498 Q N 0.822 120.560 119.800 -0.104 0.000 2.014 498 Q HA -0.291 4.056 4.340 0.011 0.000 0.207 498 Q C 2.176 178.144 176.000 -0.054 0.000 0.993 498 Q CA 2.217 57.982 55.803 -0.064 0.000 0.850 498 Q CB -0.196 28.529 28.738 -0.021 0.000 0.916 498 Q HN 0.243 nan 8.270 nan 0.000 0.417 499 K N -0.134 120.232 120.400 -0.056 0.000 2.026 499 K HA -0.203 4.124 4.320 0.011 0.000 0.208 499 K C 2.196 178.758 176.600 -0.062 0.000 1.048 499 K CA 1.562 57.821 56.287 -0.048 0.000 0.929 499 K CB -0.223 32.248 32.500 -0.048 0.000 0.713 499 K HN 0.155 nan 8.250 nan 0.000 0.439 500 K N 0.331 120.660 120.400 -0.119 0.000 2.020 500 K HA -0.191 4.136 4.320 0.011 0.000 0.212 500 K C 2.067 178.634 176.600 -0.056 0.000 1.050 500 K CA 1.644 57.825 56.287 -0.177 0.000 0.929 500 K CB -0.064 32.193 32.500 -0.404 0.000 0.714 500 K HN 0.068 nan 8.250 nan 0.000 0.443 501 L N 0.414 121.598 121.223 -0.065 0.000 2.131 501 L HA -0.069 4.278 4.340 0.011 0.000 0.206 501 L C 2.366 179.235 176.870 -0.002 0.000 1.087 501 L CA 0.927 55.760 54.840 -0.012 0.000 0.767 501 L CB -0.296 41.728 42.059 -0.057 0.000 0.917 501 L HN 0.228 nan 8.230 nan 0.000 0.441 502 M N -0.764 118.828 119.600 -0.014 0.000 2.159 502 M HA -0.207 4.279 4.480 0.011 0.000 0.263 502 M C 2.121 178.431 176.300 0.016 0.000 1.063 502 M CA 1.441 56.745 55.300 0.006 0.000 1.110 502 M CB -1.005 31.602 32.600 0.011 0.000 1.374 502 M HN 0.307 nan 8.290 nan 0.000 0.411 503 E N 0.327 120.536 120.200 0.016 0.000 2.209 503 E HA -0.163 4.194 4.350 0.011 0.000 0.196 503 E C 1.450 178.063 176.600 0.021 0.000 0.993 503 E CA 1.173 57.585 56.400 0.019 0.000 0.819 503 E CB -0.142 29.573 29.700 0.026 0.000 0.745 503 E HN 0.695 nan 8.360 nan 0.000 0.477 504 I N -2.230 118.358 120.570 0.030 0.000 3.947 504 I HA 0.246 4.423 4.170 0.011 0.000 0.327 504 I C 0.265 176.401 176.117 0.033 0.000 1.519 504 I CA -0.699 60.609 61.300 0.015 0.000 1.122 504 I CB 0.291 38.282 38.000 -0.016 0.000 1.146 504 I HN -0.244 nan 8.210 nan 0.000 0.442 505 K N 3.741 124.164 120.400 0.039 0.000 2.489 505 K HA 0.165 4.492 4.320 0.011 0.000 0.278 505 K C -0.215 176.430 176.600 0.075 0.000 1.000 505 K CA 0.070 56.391 56.287 0.056 0.000 1.012 505 K CB 0.614 33.140 32.500 0.044 0.000 0.903 505 K HN 0.542 nan 8.250 nan 0.000 0.485 506 R N 2.361 122.932 120.500 0.118 0.000 2.744 506 R HA 0.264 4.611 4.340 0.011 0.000 0.279 506 R C -0.499 175.887 176.300 0.143 0.000 0.977 506 R CA -1.027 55.140 56.100 0.112 0.000 0.906 506 R CB 1.137 31.501 30.300 0.106 0.000 1.197 506 R HN 0.448 nan 8.270 nan 0.000 0.463 507 D N 0.671 121.129 120.400 0.097 0.000 2.219 507 D HA -0.051 4.596 4.640 0.011 0.000 0.205 507 D C 0.920 177.303 176.300 0.138 0.000 0.970 507 D CA 1.371 55.435 54.000 0.107 0.000 0.851 507 D CB 0.227 41.064 40.800 0.061 0.000 0.943 507 D HN 0.383 nan 8.370 nan 0.000 0.488 508 V N -2.245 117.707 119.914 0.062 0.000 2.914 508 V HA 0.358 4.485 4.120 0.011 0.000 0.314 508 V C -0.053 175.863 176.094 -0.297 0.000 1.084 508 V CA -1.463 60.805 62.300 -0.052 0.000 0.963 508 V CB 2.400 34.172 31.823 -0.085 0.000 1.025 508 V HN -0.189 nan 8.190 nan 0.000 0.432 509 K N 2.728 122.594 120.400 -0.889 0.000 2.543 509 K HA -0.103 4.224 4.320 0.011 0.000 0.279 509 K C 0.295 176.579 176.600 -0.527 0.000 1.001 509 K CA 0.140 55.626 56.287 -1.334 0.000 1.088 509 K CB 0.007 31.563 32.500 -1.574 0.000 0.863 509 K HN 1.034 nan 8.250 nan 0.000 0.488 510 H N 6.283 125.129 119.070 -0.373 0.000 2.964 510 H HA -0.002 4.561 4.556 0.012 0.000 0.328 510 H C -1.697 173.545 175.328 -0.143 0.000 1.030 510 H CA -1.312 54.640 56.048 -0.159 0.000 1.445 510 H CB 1.280 31.014 29.762 -0.046 0.000 1.449 510 H HN 0.555 nan 8.280 nan 0.000 0.581 511 P HA -0.114 nan 4.420 nan 0.000 0.223 511 P C 0.882 178.205 177.300 0.037 0.000 1.144 511 P CA 1.180 64.174 63.100 -0.176 0.000 0.783 511 P CB 0.137 31.700 31.700 -0.230 0.000 0.771 512 R N -0.052 120.651 120.500 0.339 0.000 2.297 512 R HA 0.109 4.456 4.340 0.011 0.000 0.197 512 R C 0.662 177.167 176.300 0.342 0.000 0.943 512 R CA 0.057 56.356 56.100 0.333 0.000 1.038 512 R CB 0.004 30.569 30.300 0.441 0.000 0.957 512 R HN 0.160 nan 8.270 nan 0.000 0.484 513 V N 0.007 120.101 119.914 0.300 0.000 2.407 513 V HA 0.377 4.504 4.120 0.011 0.000 0.278 513 V C -0.595 175.562 176.094 0.106 0.000 1.037 513 V CA -1.034 61.416 62.300 0.250 0.000 0.900 513 V CB 1.506 33.450 31.823 0.203 0.000 0.983 513 V HN -0.029 nan 8.190 nan 0.000 0.459 514 N N 3.660 122.449 118.700 0.149 0.000 2.511 514 N HA 0.504 5.250 4.740 0.011 0.000 0.249 514 N C -1.068 174.539 175.510 0.161 0.000 0.971 514 N CA 0.123 53.234 53.050 0.102 0.000 0.938 514 N CB 1.545 40.075 38.487 0.072 0.000 1.131 514 N HN 0.947 nan 8.380 nan 0.000 0.505 515 S N 2.621 118.427 115.700 0.177 0.000 2.572 515 S HA 0.367 4.843 4.470 0.011 0.000 0.274 515 S C 0.517 175.242 174.600 0.208 0.000 1.150 515 S CA -0.639 57.708 58.200 0.244 0.000 0.944 515 S CB 0.857 64.305 63.200 0.412 0.000 1.071 515 S HN 0.538 nan 8.310 nan 0.000 0.479 516 K N 2.485 122.962 120.400 0.130 0.000 2.243 516 K HA 0.146 4.473 4.320 0.011 0.000 0.201 516 K C 0.925 177.587 176.600 0.104 0.000 1.051 516 K CA 0.490 56.833 56.287 0.094 0.000 0.970 516 K CB 0.033 32.553 32.500 0.033 0.000 0.755 516 K HN 0.603 nan 8.250 nan 0.000 0.465 517 M N 2.086 121.735 119.600 0.082 0.000 2.217 517 M HA 0.020 4.506 4.480 0.011 0.000 0.352 517 M C -0.750 175.610 176.300 0.099 0.000 1.376 517 M CA 0.108 55.449 55.300 0.069 0.000 1.107 517 M CB 0.753 33.363 32.600 0.017 0.000 1.723 517 M HN -0.176 nan 8.290 nan 0.000 0.461 518 E N 7.756 127.980 120.200 0.040 0.000 2.081 518 E HA 0.418 4.774 4.350 0.011 0.000 0.281 518 E C -2.323 174.050 176.600 -0.379 0.000 0.986 518 E CA -1.777 54.531 56.400 -0.154 0.000 0.796 518 E CB 0.855 30.548 29.700 -0.011 0.000 1.085 518 E HN 0.372 nan 8.360 nan 0.000 0.398 519 P HA 0.129 nan 4.420 nan 0.000 0.275 519 P C -0.263 176.483 177.300 -0.923 0.000 1.266 519 P CA -0.248 62.026 63.100 -1.377 0.000 0.793 519 P CB 0.962 31.828 31.700 -1.390 0.000 1.074 520 D N -0.519 119.403 120.400 -0.796 0.000 2.183 520 D HA 0.024 4.671 4.640 0.011 0.000 0.203 520 D C 0.940 177.053 176.300 -0.313 0.000 0.969 520 D CA 1.290 55.090 54.000 -0.332 0.000 0.842 520 D CB 0.023 40.770 40.800 -0.088 0.000 0.957 520 D HN 0.462 nan 8.370 nan 0.000 0.484 521 I N -3.445 116.846 120.570 -0.465 0.000 2.582 521 I HA 0.475 4.652 4.170 0.011 0.000 0.292 521 I C -1.019 174.878 176.117 -0.367 0.000 1.066 521 I CA -1.133 59.986 61.300 -0.302 0.000 1.053 521 I CB 1.639 39.537 38.000 -0.170 0.000 1.241 521 I HN -0.283 nan 8.210 nan 0.000 0.421 522 W N 4.272 125.522 121.300 -0.084 0.000 2.283 522 W HA 0.720 5.386 4.660 0.011 0.000 0.341 522 W C -0.344 176.154 176.519 -0.036 0.000 1.206 522 W CA -0.642 56.670 57.345 -0.055 0.000 1.294 522 W CB 1.594 31.046 29.460 -0.013 0.000 1.154 522 W HN 0.263 nan 8.180 nan 0.000 0.613 523 V N 2.081 122.171 119.914 0.293 0.000 2.925 523 V HA 0.188 4.315 4.120 0.011 0.000 0.311 523 V C -0.380 175.770 176.094 0.093 0.000 1.104 523 V CA -1.185 61.198 62.300 0.137 0.000 0.954 523 V CB 2.006 33.876 31.823 0.078 0.000 1.022 523 V HN 0.361 nan 8.190 nan 0.000 0.427 524 E N 5.085 125.296 120.200 0.018 0.000 2.465 524 E HA 0.107 4.464 4.350 0.011 0.000 0.260 524 E C -2.376 174.086 176.600 -0.230 0.000 0.980 524 E CA -1.465 54.873 56.400 -0.104 0.000 0.927 524 E CB 0.344 29.979 29.700 -0.109 0.000 0.934 524 E HN 0.346 nan 8.360 nan 0.000 0.459 525 P HA 0.051 nan 4.420 nan 0.000 0.271 525 P C 0.134 177.131 177.300 -0.505 0.000 1.380 525 P CA 0.200 62.978 63.100 -0.537 0.000 0.992 525 P CB 0.597 31.753 31.700 -0.907 0.000 1.230 526 V N 3.209 122.872 119.914 -0.418 0.000 3.141 526 V HA 0.135 4.262 4.120 0.011 0.000 0.225 526 V C 0.348 176.207 176.094 -0.392 0.000 1.352 526 V CA 0.563 62.578 62.300 -0.476 0.000 1.316 526 V CB -0.371 31.009 31.823 -0.739 0.000 1.126 526 V HN 0.255 nan 8.190 nan 0.000 0.493 527 Y N 0.207 120.449 120.300 -0.096 0.000 2.334 527 Y HA 0.614 5.171 4.550 0.011 0.000 0.328 527 Y C -0.121 175.851 175.900 0.121 0.000 1.130 527 Y CA -0.716 57.375 58.100 -0.015 0.000 1.163 527 Y CB 1.683 40.080 38.460 -0.105 0.000 1.207 527 Y HN -0.102 nan 8.280 nan 0.000 0.471 528 V N 2.897 123.047 119.914 0.393 0.000 2.495 528 V HA 0.781 4.908 4.120 0.011 0.000 0.298 528 V C -0.448 175.915 176.094 0.448 0.000 1.031 528 V CA -0.779 61.708 62.300 0.313 0.000 0.871 528 V CB 1.430 33.359 31.823 0.177 0.000 0.988 528 V HN 0.847 nan 8.190 nan 0.000 0.432 529 A N 3.259 126.262 122.820 0.305 0.000 2.386 529 A HA 0.716 5.042 4.320 0.011 0.000 0.311 529 A C -0.442 177.101 177.584 -0.067 0.000 1.068 529 A CA -0.643 51.463 52.037 0.115 0.000 0.743 529 A CB 1.249 20.281 19.000 0.054 0.000 1.258 529 A HN 0.845 nan 8.150 nan 0.000 0.429 530 E N 2.149 122.203 120.200 -0.244 0.000 2.257 530 E HA 0.392 4.748 4.350 0.011 0.000 0.278 530 E C -0.955 175.424 176.600 -0.367 0.000 1.049 530 E CA -0.172 56.074 56.400 -0.258 0.000 0.876 530 E CB 0.366 29.911 29.700 -0.260 0.000 1.035 530 E HN 0.460 nan 8.360 nan 0.000 0.419 531 I N 5.730 126.169 120.570 -0.217 0.000 2.545 531 I HA 0.414 4.590 4.170 0.011 0.000 0.292 531 I C -0.119 175.908 176.117 -0.150 0.000 1.040 531 I CA -0.814 60.368 61.300 -0.197 0.000 1.068 531 I CB 1.521 39.460 38.000 -0.103 0.000 1.251 531 I HN 0.642 nan 8.210 nan 0.000 0.424 532 I N 3.047 123.515 120.570 -0.171 0.000 2.603 532 I HA 0.802 4.979 4.170 0.011 0.000 0.300 532 I C -0.078 175.970 176.117 -0.116 0.000 1.017 532 I CA -0.124 61.101 61.300 -0.125 0.000 1.098 532 I CB 2.320 40.247 38.000 -0.123 0.000 1.279 532 I HN 0.707 nan 8.210 nan 0.000 0.437 533 G N 1.856 110.624 108.800 -0.053 0.000 2.708 533 G HA2 0.329 4.296 3.960 0.011 0.000 0.289 533 G HA3 0.329 4.296 3.960 0.011 0.000 0.289 533 G C 0.176 175.099 174.900 0.037 0.000 1.416 533 G CA 0.182 45.276 45.100 -0.009 0.000 0.829 533 G HN 0.621 nan 8.290 nan 0.000 0.480 534 S N -1.221 114.537 115.700 0.097 0.000 2.406 534 S HA 0.150 4.627 4.470 0.011 0.000 0.228 534 S C 0.652 175.291 174.600 0.066 0.000 1.020 534 S CA 1.398 59.667 58.200 0.115 0.000 0.965 534 S CB -0.373 62.959 63.200 0.220 0.000 0.798 534 S HN 0.994 nan 8.310 nan 0.000 0.488 535 E N -0.870 119.354 120.200 0.040 0.000 2.417 535 E HA 0.517 4.873 4.350 0.011 0.000 0.280 535 E C -1.823 174.796 176.600 0.032 0.000 1.112 535 E CA -1.039 55.379 56.400 0.030 0.000 0.863 535 E CB 0.308 30.022 29.700 0.023 0.000 1.346 535 E HN 0.157 nan 8.360 nan 0.000 0.443 536 I N 1.671 122.291 120.570 0.084 0.000 2.359 536 I HA 0.382 4.559 4.170 0.011 0.000 0.294 536 I C -0.126 176.123 176.117 0.220 0.000 0.987 536 I CA -0.154 61.226 61.300 0.134 0.000 1.225 536 I CB 1.789 39.905 38.000 0.194 0.000 1.366 536 I HN 0.658 nan 8.210 nan 0.000 0.466 537 T N 3.474 118.085 114.554 0.096 0.000 2.916 537 T HA 0.643 4.999 4.350 0.011 0.000 0.292 537 T C -0.233 174.456 174.700 -0.019 0.000 1.055 537 T CA -0.832 61.320 62.100 0.086 0.000 1.009 537 T CB 1.386 70.257 68.868 0.005 0.000 1.118 537 T HN 0.229 nan 8.240 nan 0.000 0.497 538 I N 2.266 122.819 120.570 -0.029 0.000 2.533 538 I HA 0.335 4.512 4.170 0.011 0.000 0.284 538 I C 0.586 176.687 176.117 -0.026 0.000 1.109 538 I CA 0.310 61.560 61.300 -0.084 0.000 1.412 538 I CB 0.926 38.890 38.000 -0.060 0.000 1.396 538 I HN 0.634 nan 8.210 nan 0.000 0.543 539 S N 7.363 123.057 115.700 -0.010 0.000 2.594 539 S HA 0.465 4.942 4.470 0.011 0.000 0.296 539 S C -1.947 172.671 174.600 0.030 0.000 1.124 539 S CA -1.412 56.812 58.200 0.039 0.000 1.011 539 S CB 1.570 64.854 63.200 0.141 0.000 1.016 539 S HN 0.280 nan 8.310 nan 0.000 0.485 540 P HA 0.078 nan 4.420 nan 0.000 0.226 540 P C 0.980 178.266 177.300 -0.024 0.000 1.153 540 P CA 0.578 63.675 63.100 -0.005 0.000 0.777 540 P CB 0.141 31.836 31.700 -0.009 0.000 0.794 541 L N -2.663 118.530 121.223 -0.050 0.000 2.341 541 L HA 0.014 4.361 4.340 0.011 0.000 0.214 541 L C 0.725 177.390 176.870 -0.343 0.000 1.115 541 L CA 0.640 55.366 54.840 -0.189 0.000 0.820 541 L CB -0.550 41.358 42.059 -0.251 0.000 0.944 541 L HN 0.108 nan 8.230 nan 0.000 0.452 542 H N -1.754 117.333 119.070 0.028 0.000 2.573 542 H HA 0.191 4.754 4.556 0.011 0.000 0.351 542 H C 0.887 176.234 175.328 0.031 0.000 1.163 542 H CA -0.014 56.059 56.048 0.042 0.000 1.205 542 H CB 1.591 31.374 29.762 0.034 0.000 1.605 542 H HN -0.146 nan 8.280 nan 0.000 0.525 543 T N -2.175 112.485 114.554 0.177 0.000 3.040 543 T HA 0.011 4.368 4.350 0.011 0.000 0.250 543 T C 0.914 175.658 174.700 0.073 0.000 1.058 543 T CA -0.268 61.890 62.100 0.098 0.000 0.988 543 T CB -0.419 68.504 68.868 0.092 0.000 0.993 543 T HN 0.493 nan 8.240 nan 0.000 0.519 544 C N 2.474 121.827 119.300 0.090 0.000 2.523 544 C HA 0.241 4.708 4.460 0.011 0.000 0.406 544 C C 1.665 176.656 174.990 0.001 0.000 1.449 544 C CA -0.156 58.888 59.018 0.044 0.000 1.588 544 C CB -2.293 25.471 27.740 0.039 0.000 2.514 544 C HN 0.883 nan 8.230 nan 0.000 0.606 545 C N 4.550 123.841 119.300 -0.016 0.000 4.268 545 C HA -0.173 4.294 4.460 0.011 0.000 0.299 545 C C 0.538 175.505 174.990 -0.039 0.000 1.429 545 C CA 0.965 59.961 59.018 -0.038 0.000 2.018 545 C CB -3.381 24.322 27.740 -0.061 0.000 1.277 545 C HN 1.045 nan 8.230 nan 0.000 0.767 546 Q N 0.796 120.584 119.800 -0.020 0.000 2.436 546 Q HA 0.163 4.510 4.340 0.011 0.000 0.326 546 Q C 0.918 176.904 176.000 -0.025 0.000 1.079 546 Q CA 1.852 57.646 55.803 -0.015 0.000 1.049 546 Q CB 0.164 28.899 28.738 -0.004 0.000 1.047 546 Q HN 0.563 nan 8.270 nan 0.000 0.386 547 D N 1.460 121.843 120.400 -0.028 0.000 2.946 547 D HA -0.224 4.423 4.640 0.011 0.000 0.202 547 D C 0.656 176.938 176.300 -0.031 0.000 1.068 547 D CA 1.115 55.099 54.000 -0.026 0.000 1.011 547 D CB -1.400 39.390 40.800 -0.017 0.000 1.105 547 D HN 0.390 nan 8.370 nan 0.000 0.425 548 V N 0.346 120.236 119.914 -0.041 0.000 2.307 548 V HA -0.192 3.935 4.120 0.011 0.000 0.245 548 V C 2.403 178.475 176.094 -0.037 0.000 1.045 548 V CA 2.172 64.450 62.300 -0.037 0.000 1.024 548 V CB -0.260 31.540 31.823 -0.039 0.000 0.651 548 V HN 0.371 nan 8.190 nan 0.000 0.449 549 V N -1.437 118.434 119.914 -0.071 0.000 2.922 549 V HA 0.265 4.392 4.120 0.011 0.000 0.242 549 V C 0.759 176.831 176.094 -0.036 0.000 1.094 549 V CA 0.801 63.068 62.300 -0.055 0.000 1.106 549 V CB 0.745 32.496 31.823 -0.121 0.000 0.799 549 V HN 0.564 nan 8.190 nan 0.000 0.474 550 E N 0.986 121.153 120.200 -0.055 0.000 2.292 550 E HA 0.368 4.725 4.350 0.011 0.000 0.272 550 E C -1.095 175.489 176.600 -0.027 0.000 0.881 550 E CA -0.948 55.433 56.400 -0.031 0.000 0.754 550 E CB 1.449 31.131 29.700 -0.030 0.000 1.201 550 E HN 0.169 nan 8.360 nan 0.000 0.425 551 K N 2.556 122.947 120.400 -0.015 0.000 2.382 551 K HA 0.083 4.410 4.320 0.011 0.000 0.275 551 K C -0.310 176.283 176.600 -0.011 0.000 1.009 551 K CA 0.175 56.455 56.287 -0.012 0.000 0.970 551 K CB 0.202 32.698 32.500 -0.007 0.000 0.934 551 K HN 0.641 nan 8.250 nan 0.000 0.479 552 D N -1.241 119.153 120.400 -0.009 0.000 3.012 552 D HA -0.205 4.442 4.640 0.011 0.000 0.222 552 D C -0.636 175.659 176.300 -0.008 0.000 1.167 552 D CA 1.632 55.628 54.000 -0.006 0.000 0.854 552 D CB -0.932 39.865 40.800 -0.004 0.000 1.107 552 D HN 0.663 nan 8.370 nan 0.000 0.421 553 A N -0.957 121.855 122.820 -0.013 0.000 2.549 553 A HA 0.784 5.110 4.320 0.011 0.000 0.297 553 A C 0.557 178.127 177.584 -0.023 0.000 1.061 553 A CA 0.007 52.035 52.037 -0.015 0.000 0.690 553 A CB 1.928 20.915 19.000 -0.022 0.000 1.287 553 A HN 0.180 nan 8.150 nan 0.000 0.402 554 G N -0.345 108.451 108.800 -0.006 0.000 2.890 554 G HA2 0.642 4.609 3.960 0.011 0.000 0.189 554 G HA3 0.642 4.609 3.960 0.011 0.000 0.189 554 G C -0.680 174.186 174.900 -0.057 0.000 1.342 554 G CA -0.796 44.295 45.100 -0.015 0.000 1.026 554 G HN 0.733 nan 8.290 nan 0.000 0.579 555 L N -0.195 120.994 121.223 -0.057 0.000 2.342 555 L HA 0.665 5.012 4.340 0.011 0.000 0.271 555 L C 0.030 176.870 176.870 -0.050 0.000 1.008 555 L CA -0.622 54.154 54.840 -0.106 0.000 0.818 555 L CB 2.130 44.092 42.059 -0.160 0.000 1.296 555 L HN 0.516 nan 8.230 nan 0.000 0.427 556 S N 1.130 116.791 115.700 -0.064 0.000 2.667 556 S HA 0.708 5.185 4.470 0.011 0.000 0.292 556 S C -0.955 173.590 174.600 -0.092 0.000 1.126 556 S CA -0.540 57.589 58.200 -0.117 0.000 0.881 556 S CB 1.621 64.776 63.200 -0.075 0.000 1.132 556 S HN 0.401 nan 8.310 nan 0.000 0.492 557 I N 2.398 122.893 120.570 -0.126 0.000 2.339 557 I HA 0.441 4.618 4.170 0.011 0.000 0.290 557 I C 0.411 176.466 176.117 -0.104 0.000 0.994 557 I CA -0.408 60.843 61.300 -0.083 0.000 1.191 557 I CB 1.238 39.198 38.000 -0.067 0.000 1.343 557 I HN 0.479 nan 8.210 nan 0.000 0.458 558 R N 6.199 126.631 120.500 -0.114 0.000 2.340 558 R HA 0.277 4.623 4.340 0.011 0.000 0.300 558 R C -0.400 175.816 176.300 -0.139 0.000 1.069 558 R CA -0.131 55.821 56.100 -0.247 0.000 0.984 558 R CB 0.263 30.377 30.300 -0.310 0.000 1.003 558 R HN 0.585 nan 8.270 nan 0.000 0.459 559 F N 2.652 122.581 119.950 -0.036 0.000 2.891 559 F HA -0.193 4.341 4.527 0.011 0.000 0.272 559 F C -1.747 173.998 175.800 -0.091 0.000 1.004 559 F CA -0.578 57.389 58.000 -0.055 0.000 0.938 559 F CB -1.046 37.924 39.000 -0.051 0.000 0.939 559 F HN 0.463 nan 8.300 nan 0.000 0.833 560 P HA 0.247 nan 4.420 nan 0.000 0.271 560 P C -0.433 176.827 177.300 -0.068 0.000 1.218 560 P CA 0.139 63.223 63.100 -0.026 0.000 0.780 560 P CB 0.964 32.645 31.700 -0.032 0.000 0.901 561 R N 1.734 122.137 120.500 -0.162 0.000 2.561 561 R HA 0.406 4.752 4.340 0.011 0.000 0.297 561 R C -0.427 175.717 176.300 -0.260 0.000 0.969 561 R CA -0.848 55.114 56.100 -0.230 0.000 0.879 561 R CB 1.451 31.521 30.300 -0.384 0.000 1.178 561 R HN 0.396 nan 8.270 nan 0.000 0.445 562 F N 3.875 123.516 119.950 -0.515 0.000 2.538 562 F HA 0.074 4.607 4.527 0.010 0.000 0.371 562 F C 0.574 176.070 175.800 -0.507 0.000 1.087 562 F CA 0.047 57.644 58.000 -0.671 0.000 1.250 562 F CB 0.546 38.714 39.000 -1.386 0.000 1.110 562 F HN 0.450 nan 8.300 nan 0.000 0.570 563 I N 4.488 124.408 120.570 -1.083 0.000 2.900 563 I HA 0.153 4.330 4.170 0.011 0.000 0.251 563 I C 0.420 175.896 176.117 -1.068 0.000 1.102 563 I CA 0.747 61.581 61.300 -0.777 0.000 1.457 563 I CB -0.517 37.193 38.000 -0.484 0.000 1.285 563 I HN 0.675 nan 8.210 nan 0.000 0.459 564 R N -1.067 118.565 120.500 -1.446 0.000 2.712 564 R HA 0.261 4.608 4.340 0.011 0.000 0.272 564 R C -2.107 173.737 176.300 -0.760 0.000 1.032 564 R CA -0.778 54.760 56.100 -0.937 0.000 0.874 564 R CB 0.555 30.648 30.300 -0.346 0.000 1.256 564 R HN -0.125 nan 8.270 nan 0.000 0.468 565 W N 1.007 122.315 121.300 0.014 0.000 2.202 565 W HA 0.401 5.068 4.660 0.011 0.000 0.332 565 W C 0.478 177.011 176.519 0.024 0.000 1.263 565 W CA -0.783 56.637 57.345 0.124 0.000 1.223 565 W CB 0.800 30.364 29.460 0.175 0.000 1.128 565 W HN 0.092 nan 8.180 nan 0.000 0.573 566 R N 2.514 123.214 120.500 0.334 0.000 2.666 566 R HA 0.079 4.426 4.340 0.011 0.000 0.275 566 R C 0.139 176.558 176.300 0.197 0.000 1.266 566 R CA -0.298 55.916 56.100 0.189 0.000 1.401 566 R CB 0.075 30.447 30.300 0.121 0.000 1.145 566 R HN 0.540 nan 8.270 nan 0.000 0.581 567 D N 0.892 121.399 120.400 0.178 0.000 2.309 567 D HA -0.145 4.502 4.640 0.011 0.000 0.212 567 D C 0.870 177.222 176.300 0.088 0.000 0.968 567 D CA 1.222 55.299 54.000 0.129 0.000 0.882 567 D CB 0.331 41.189 40.800 0.097 0.000 0.918 567 D HN 0.498 nan 8.370 nan 0.000 0.503 568 D N -0.124 120.323 120.400 0.077 0.000 2.328 568 D HA -0.018 4.628 4.640 0.011 0.000 0.221 568 D C 0.257 176.585 176.300 0.046 0.000 1.072 568 D CA 0.079 54.110 54.000 0.052 0.000 0.850 568 D CB 0.215 41.041 40.800 0.044 0.000 0.922 568 D HN 0.001 nan 8.370 nan 0.000 0.516 569 K N 0.664 121.099 120.400 0.058 0.000 2.397 569 K HA 0.313 4.640 4.320 0.011 0.000 0.253 569 K C -0.218 176.399 176.600 0.029 0.000 0.932 569 K CA -0.611 55.703 56.287 0.044 0.000 0.795 569 K CB 2.427 34.962 32.500 0.058 0.000 1.159 569 K HN 0.076 nan 8.250 nan 0.000 0.424 570 S N 1.599 117.299 115.700 -0.001 0.000 2.632 570 S HA 0.301 4.778 4.470 0.011 0.000 0.267 570 S C -1.826 172.748 174.600 -0.044 0.000 1.276 570 S CA -1.102 57.079 58.200 -0.033 0.000 0.998 570 S CB 1.068 64.240 63.200 -0.046 0.000 0.953 570 S HN 0.289 nan 8.310 nan 0.000 0.547 571 P HA -0.009 nan 4.420 nan 0.000 0.220 571 P C 0.599 177.871 177.300 -0.047 0.000 1.148 571 P CA 1.073 64.136 63.100 -0.061 0.000 0.803 571 P CB -0.084 31.492 31.700 -0.206 0.000 0.782 572 E N -0.686 119.364 120.200 -0.251 0.000 2.482 572 E HA -0.081 4.276 4.350 0.011 0.000 0.196 572 E C 1.056 177.481 176.600 -0.292 0.000 1.047 572 E CA 0.626 56.609 56.400 -0.695 0.000 0.869 572 E CB -0.732 28.610 29.700 -0.597 0.000 0.836 572 E HN 0.284 nan 8.360 nan 0.000 0.520 573 D N 0.298 120.639 120.400 -0.098 0.000 2.340 573 D HA 0.097 4.744 4.640 0.011 0.000 0.220 573 D C 0.493 176.825 176.300 0.054 0.000 1.039 573 D CA 0.171 54.171 54.000 -0.000 0.000 0.866 573 D CB -0.009 40.796 40.800 0.008 0.000 0.913 573 D HN 0.134 nan 8.370 nan 0.000 0.523 574 A N 0.484 123.352 122.820 0.079 0.000 2.409 574 A HA 0.218 4.544 4.320 0.011 0.000 0.246 574 A C 0.714 178.395 177.584 0.162 0.000 1.099 574 A CA -0.048 52.072 52.037 0.137 0.000 0.789 574 A CB 0.085 19.209 19.000 0.207 0.000 1.053 574 A HN 0.046 nan 8.150 nan 0.000 0.503 575 T N 1.811 116.445 114.554 0.134 0.000 2.908 575 T HA 0.337 4.694 4.350 0.011 0.000 0.301 575 T C 0.919 175.713 174.700 0.156 0.000 1.019 575 T CA 0.923 63.094 62.100 0.118 0.000 1.152 575 T CB -0.254 68.664 68.868 0.084 0.000 0.966 575 T HN 0.951 nan 8.240 nan 0.000 0.540 576 T N -0.135 114.497 114.554 0.129 0.000 2.899 576 T HA 0.253 4.610 4.350 0.011 0.000 0.284 576 T C 1.891 176.624 174.700 0.055 0.000 1.004 576 T CA -0.341 61.822 62.100 0.105 0.000 1.043 576 T CB 0.974 69.883 68.868 0.069 0.000 1.013 576 T HN 0.643 nan 8.240 nan 0.000 0.518 577 T N -0.692 113.870 114.554 0.013 0.000 2.759 577 T HA -0.179 4.178 4.350 0.011 0.000 0.269 577 T C 1.323 176.023 174.700 0.000 0.000 1.042 577 T CA 1.510 63.610 62.100 -0.001 0.000 1.140 577 T CB -0.711 68.135 68.868 -0.036 0.000 0.864 577 T HN 0.648 nan 8.240 nan 0.000 0.455 578 D N 1.518 121.914 120.400 -0.007 0.000 2.117 578 D HA -0.076 4.571 4.640 0.011 0.000 0.197 578 D C 2.258 178.572 176.300 0.024 0.000 0.987 578 D CA 1.289 55.291 54.000 0.003 0.000 0.829 578 D CB -0.284 40.514 40.800 -0.003 0.000 0.961 578 D HN 0.634 nan 8.370 nan 0.000 0.460 579 E N 0.097 120.316 120.200 0.032 0.000 2.106 579 E HA -0.120 4.236 4.350 0.011 0.000 0.192 579 E C 2.211 178.840 176.600 0.047 0.000 0.984 579 E CA 0.290 56.715 56.400 0.041 0.000 0.806 579 E CB 0.134 29.862 29.700 0.047 0.000 0.750 579 E HN 0.209 nan 8.360 nan 0.000 0.458 580 I N 1.236 121.833 120.570 0.045 0.000 2.127 580 I HA -0.280 3.896 4.170 0.011 0.000 0.241 580 I C 2.463 178.624 176.117 0.073 0.000 1.075 580 I CA 1.229 62.559 61.300 0.050 0.000 1.334 580 I CB -1.073 36.947 38.000 0.032 0.000 1.040 580 I HN 0.255 nan 8.210 nan 0.000 0.405 581 L N 0.573 121.829 121.223 0.055 0.000 2.012 581 L HA -0.256 4.090 4.340 0.011 0.000 0.210 581 L C 2.593 179.537 176.870 0.123 0.000 1.073 581 L CA 1.767 56.655 54.840 0.080 0.000 0.748 581 L CB -0.323 41.760 42.059 0.040 0.000 0.891 581 L HN 0.349 nan 8.230 nan 0.000 0.431 582 E N -0.574 119.673 120.200 0.079 0.000 2.058 582 E HA -0.285 4.072 4.350 0.011 0.000 0.194 582 E C 2.222 178.862 176.600 0.066 0.000 0.997 582 E CA 1.698 58.137 56.400 0.064 0.000 0.801 582 E CB -0.106 29.619 29.700 0.043 0.000 0.746 582 E HN 0.539 nan 8.360 nan 0.000 0.450 583 M N -0.438 119.206 119.600 0.074 0.000 2.086 583 M HA -0.193 4.294 4.480 0.011 0.000 0.261 583 M C 2.301 178.643 176.300 0.070 0.000 1.067 583 M CA 1.402 56.738 55.300 0.061 0.000 1.116 583 M CB -0.435 32.203 32.600 0.063 0.000 1.348 583 M HN 0.173 nan 8.290 nan 0.000 0.407 584 Y N 1.598 121.898 120.300 0.000 0.000 2.128 584 Y HA -0.253 4.304 4.550 0.011 0.000 0.284 584 Y C 2.088 177.988 175.900 -0.000 0.000 1.154 584 Y CA 1.737 59.837 58.100 -0.002 0.000 1.149 584 Y CB -0.337 38.122 38.460 -0.002 0.000 0.976 584 Y HN 0.246 nan 8.280 nan 0.000 0.505 585 N N 0.396 119.141 118.700 0.075 0.000 2.453 585 N HA -0.115 4.631 4.740 0.011 0.000 0.183 585 N C 1.440 176.903 175.510 -0.078 0.000 1.041 585 N CA 1.107 54.154 53.050 -0.005 0.000 0.900 585 N CB -0.167 38.370 38.487 0.083 0.000 0.961 585 N HN 0.464 nan 8.380 nan 0.000 0.443 586 K N 0.370 120.731 120.400 -0.065 0.000 2.228 586 K HA 0.048 4.374 4.320 0.011 0.000 0.202 586 K C 0.390 176.932 176.600 -0.097 0.000 1.051 586 K CA 0.263 56.514 56.287 -0.060 0.000 0.960 586 K CB 0.180 32.663 32.500 -0.027 0.000 0.743 586 K HN 0.295 nan 8.250 nan 0.000 0.458 587 Q N 1.843 121.544 119.800 -0.165 0.000 2.364 587 Q HA 0.065 4.412 4.340 0.011 0.000 0.267 587 Q C -2.298 173.600 176.000 -0.170 0.000 0.999 587 Q CA -1.886 53.813 55.803 -0.174 0.000 0.886 587 Q CB 0.261 28.847 28.738 -0.253 0.000 1.243 587 Q HN 0.040 nan 8.270 nan 0.000 0.415 588 P HA -0.120 nan 4.420 nan 0.000 0.261 588 P C -0.465 176.772 177.300 -0.105 0.000 1.173 588 P CA 0.362 63.411 63.100 -0.085 0.000 0.760 588 P CB 0.396 32.063 31.700 -0.055 0.000 0.783 589 K N 0.911 121.259 120.400 -0.087 0.000 2.790 589 K HA 0.185 4.512 4.320 0.011 0.000 0.229 589 K C 0.673 177.246 176.600 -0.046 0.000 1.040 589 K CA -0.046 56.193 56.287 -0.080 0.000 1.211 589 K CB -0.973 31.493 32.500 -0.056 0.000 1.002 589 K HN 0.385 nan 8.250 nan 0.000 0.479 590 K N 0.000 120.374 120.400 -0.044 0.000 2.780 590 K HA 0.000 4.327 4.320 0.011 0.000 0.191 590 K CA 0.000 56.273 56.287 -0.024 0.000 0.838 590 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 590 K HN 0.000 nan 8.250 nan 0.000 0.543