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 2v1d_1_A DATA FIRST_RESID 171 DATA SEQUENCE PSGVEGAAFQ SRLPHDRMTS QEAACFPDII SGPQQTQKVF LFIRNRTLQL DATA SEQUENCE WLDNPKIQLT FEATLQQLEA PYNSDTVLVH RVHSYLERHG LINFGIYKRI DATA SEQUENCE KPLPTKKTGK VIIIGSGVSG LAAARQLQSF GMDVTLLEAR DRVGGRVATF DATA SEQUENCE RKGNYVADLG AMVVTGLGGN PMAVVSKQVN MELAKIKQKC PLYEANGQAV DATA SEQUENCE PKEKDEMVEQ EFNRLLEATS YLSHQLDFNV LNNKPVSLGQ ALEVVIQLQE DATA SEQUENCE KHVKDEQIEH WKKIVKTQEE LKELLNKMVN LKEKIKELHQ QYKEASEVKP DATA SEQUENCE PRDITAEFLV KSKHRDLTAL CKEYDELAET QGKLEEKLQE LEANPPSDVY DATA SEQUENCE LSSRDRQILD WHFANLEFAN ATPLSTLSLK HWDQDDDFEF TGSHLTVRNG DATA SEQUENCE YSCVPVALAE GLDIKLNTAV RQVRYTASGC EVIAVNTRST SQTFIYKCDA DATA SEQUENCE VLCTLPLGVL KQQPPAVQFV PPLPEWKTSA VQRMGFGNLN KVVLCFDRVF DATA SEQUENCE WDPSVNLFGH VGSTTASRGE LFLFWNLYKA PILLALVAGE AAGIMENISD DATA SEQUENCE DVIVGRCLAI LKGIFGSSAV PQPKETVVSR WRADPWARGS YSYVAAGSSG DATA SEQUENCE NDYDLMAQPI TPGPSIPGAP QPIPRLFFAG EHTIRNYPAT VHGALLSGLR DATA SEQUENCE EAGRIADQFL GAMYTL 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 171 P HA 0.000 nan 4.420 nan 0.000 0.216 171 P C 0.000 177.213 177.300 -0.144 0.000 1.155 171 P CA 0.000 62.946 63.100 -0.257 0.000 0.800 171 P CB 0.000 31.435 31.700 -0.442 0.000 0.726 172 S N -0.301 115.335 115.700 -0.107 0.000 2.618 172 S HA 0.882 5.352 4.470 -0.000 0.000 0.277 172 S C 0.308 174.862 174.600 -0.076 0.000 1.138 172 S CA 0.430 58.586 58.200 -0.073 0.000 0.844 172 S CB 1.735 64.899 63.200 -0.060 0.000 1.127 172 S HN 1.647 nan 8.310 nan 0.000 0.474 173 G N 0.417 109.180 108.800 -0.062 0.000 2.520 173 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.248 173 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.248 173 G C 0.812 175.654 174.900 -0.096 0.000 1.161 173 G CA 0.936 45.995 45.100 -0.069 0.000 0.946 173 G HN 2.104 nan 8.290 nan 0.000 0.565 174 V N -1.683 118.143 119.914 -0.146 0.000 3.129 174 V HA 0.332 4.452 4.120 -0.000 0.000 0.259 174 V C 1.999 177.996 176.094 -0.162 0.000 1.116 174 V CA 2.562 64.733 62.300 -0.215 0.000 1.127 174 V CB -0.155 31.408 31.823 -0.432 0.000 0.742 174 V HN 0.672 nan 8.190 nan 0.000 0.474 175 E N 1.374 121.480 120.200 -0.157 0.000 2.435 175 E HA 0.128 4.478 4.350 -0.000 0.000 0.195 175 E C 2.181 178.782 176.600 0.001 0.000 1.029 175 E CA 0.717 57.035 56.400 -0.136 0.000 0.865 175 E CB -0.051 29.407 29.700 -0.403 0.000 0.833 175 E HN 0.712 nan 8.360 nan 0.000 0.510 176 G N 1.430 110.221 108.800 -0.015 0.000 2.404 176 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.214 176 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.214 176 G C 1.699 176.682 174.900 0.139 0.000 1.189 176 G CA 0.657 45.787 45.100 0.050 0.000 0.789 176 G HN 0.321 nan 8.290 nan 0.000 0.533 177 A N 1.421 124.271 122.820 0.051 0.000 1.892 177 A HA 0.114 4.434 4.320 -0.000 0.000 0.218 177 A C 2.832 180.459 177.584 0.071 0.000 1.188 177 A CA 2.649 54.711 52.037 0.041 0.000 0.631 177 A CB -0.981 18.009 19.000 -0.017 0.000 0.822 177 A HN 0.892 nan 8.150 nan 0.000 0.447 178 A N -1.246 121.620 122.820 0.077 0.000 1.908 178 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 178 A C 2.109 179.783 177.584 0.149 0.000 1.181 178 A CA 1.759 53.856 52.037 0.101 0.000 0.627 178 A CB -0.714 18.367 19.000 0.136 0.000 0.818 178 A HN 0.917 nan 8.150 nan 0.000 0.445 179 F N 0.302 120.286 119.950 0.056 0.000 2.234 179 F HA -0.057 4.470 4.527 -0.000 0.000 0.296 179 F C 2.153 177.980 175.800 0.046 0.000 1.089 179 F CA 1.811 59.850 58.000 0.066 0.000 1.343 179 F CB -0.146 38.897 39.000 0.071 0.000 1.040 179 F HN 0.301 nan 8.300 nan 0.000 0.498 180 Q N 0.388 120.235 119.800 0.079 0.000 2.436 180 Q HA 0.003 4.343 4.340 -0.000 0.000 0.209 180 Q C 1.010 176.943 176.000 -0.112 0.000 0.965 180 Q CA 1.346 57.111 55.803 -0.064 0.000 0.910 180 Q CB -0.342 28.444 28.738 0.081 0.000 0.980 180 Q HN 0.293 nan 8.270 nan 0.000 0.491 181 S N -0.085 115.582 115.700 -0.055 0.000 2.602 181 S HA 0.306 4.776 4.470 -0.000 0.000 0.240 181 S C -0.573 174.000 174.600 -0.046 0.000 0.992 181 S CA -0.312 57.875 58.200 -0.022 0.000 0.971 181 S CB 0.142 63.371 63.200 0.048 0.000 0.855 181 S HN 0.466 nan 8.310 nan 0.000 0.481 182 R N 0.343 120.782 120.500 -0.102 0.000 3.531 182 R HA -0.159 4.181 4.340 -0.000 0.000 0.280 182 R C -1.253 175.074 176.300 0.043 0.000 1.130 182 R CA 0.457 56.538 56.100 -0.033 0.000 0.757 182 R CB -2.177 28.149 30.300 0.042 0.000 1.218 182 R HN 0.294 nan 8.270 nan 0.000 0.454 183 L N 0.100 121.349 121.223 0.043 0.000 2.388 183 L HA 0.584 4.924 4.340 -0.000 0.000 0.264 183 L C -2.105 174.810 176.870 0.075 0.000 0.998 183 L CA -2.420 52.460 54.840 0.067 0.000 0.817 183 L CB 1.740 43.832 42.059 0.055 0.000 1.338 183 L HN -0.212 nan 8.230 nan 0.000 0.414 184 P HA 0.043 nan 4.420 nan 0.000 0.271 184 P C -0.183 177.090 177.300 -0.043 0.000 1.233 184 P CA -0.057 63.028 63.100 -0.025 0.000 0.764 184 P CB 0.499 32.173 31.700 -0.043 0.000 0.825 185 H N 1.997 121.099 119.070 0.053 0.000 2.491 185 H HA -0.085 4.471 4.556 -0.000 0.000 0.290 185 H C 0.485 175.817 175.328 0.008 0.000 1.050 185 H CA 1.504 57.561 56.048 0.015 0.000 1.309 185 H CB -0.533 29.236 29.762 0.011 0.000 1.392 185 H HN 0.291 nan 8.280 nan 0.000 0.554 186 D N -0.889 119.401 120.400 -0.184 0.000 2.535 186 D HA 0.196 4.836 4.640 -0.000 0.000 0.229 186 D C 0.191 176.484 176.300 -0.013 0.000 1.238 186 D CA -0.442 53.570 54.000 0.019 0.000 0.824 186 D CB 0.308 41.102 40.800 -0.010 0.000 1.045 186 D HN 0.301 nan 8.370 nan 0.000 0.500 187 R N -0.214 120.273 120.500 -0.021 0.000 2.740 187 R HA 0.534 4.874 4.340 -0.000 0.000 0.273 187 R C -0.968 175.365 176.300 0.055 0.000 0.998 187 R CA -0.709 55.399 56.100 0.013 0.000 0.900 187 R CB 2.035 32.326 30.300 -0.015 0.000 1.223 187 R HN -0.042 nan 8.270 nan 0.000 0.466 188 M N 2.628 122.269 119.600 0.069 0.000 2.144 188 M HA 0.192 4.672 4.480 -0.000 0.000 0.356 188 M C 0.345 176.671 176.300 0.044 0.000 1.217 188 M CA -0.383 54.967 55.300 0.084 0.000 1.087 188 M CB 1.619 34.232 32.600 0.021 0.000 1.609 188 M HN 0.693 nan 8.290 nan 0.000 0.467 189 T N -0.813 113.777 114.554 0.060 0.000 2.828 189 T HA 0.106 4.456 4.350 -0.000 0.000 0.290 189 T C 1.143 175.870 174.700 0.045 0.000 1.019 189 T CA -0.557 61.578 62.100 0.058 0.000 1.031 189 T CB 1.299 70.217 68.868 0.082 0.000 1.001 189 T HN 0.695 nan 8.240 nan 0.000 0.531 190 S N 0.079 115.807 115.700 0.048 0.000 2.400 190 S HA -0.211 4.259 4.470 -0.000 0.000 0.232 190 S C 2.063 176.697 174.600 0.056 0.000 1.025 190 S CA 1.794 60.019 58.200 0.042 0.000 0.993 190 S CB -0.737 62.487 63.200 0.041 0.000 0.808 190 S HN 0.885 nan 8.310 nan 0.000 0.478 191 Q N 0.452 120.298 119.800 0.076 0.000 2.124 191 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 191 Q C 1.846 177.923 176.000 0.129 0.000 0.977 191 Q CA 1.937 57.805 55.803 0.109 0.000 0.850 191 Q CB -0.242 28.560 28.738 0.107 0.000 0.901 191 Q HN 0.681 nan 8.270 nan 0.000 0.429 192 E N 0.227 120.470 120.200 0.072 0.000 2.047 192 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 192 E C 2.057 178.663 176.600 0.010 0.000 0.987 192 E CA 0.882 57.253 56.400 -0.049 0.000 0.799 192 E CB -0.286 29.335 29.700 -0.132 0.000 0.752 192 E HN 0.515 nan 8.360 nan 0.000 0.449 193 A N 1.644 124.453 122.820 -0.018 0.000 1.954 193 A HA -0.326 3.994 4.320 -0.000 0.000 0.222 193 A C 2.391 179.990 177.584 0.026 0.000 1.199 193 A CA 2.240 54.270 52.037 -0.012 0.000 0.657 193 A CB -0.979 18.015 19.000 -0.009 0.000 0.823 193 A HN 0.335 nan 8.150 nan 0.000 0.463 194 A N -1.404 121.449 122.820 0.056 0.000 1.877 194 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 194 A C 2.221 179.833 177.584 0.047 0.000 1.186 194 A CA 1.798 53.870 52.037 0.058 0.000 0.620 194 A CB -1.122 17.933 19.000 0.091 0.000 0.822 194 A HN 0.720 nan 8.150 nan 0.000 0.443 195 C N -2.571 116.791 119.300 0.103 0.000 2.594 195 C HA 0.334 4.794 4.460 -0.000 0.000 0.265 195 C C 0.541 175.325 174.990 -0.344 0.000 1.351 195 C CA -0.157 58.837 59.018 -0.040 0.000 1.744 195 C CB -1.440 26.355 27.740 0.091 0.000 1.890 195 C HN 0.483 nan 8.230 nan 0.000 0.551 196 F N 0.698 120.549 119.950 -0.164 0.000 2.619 196 F HA 0.272 4.799 4.527 -0.000 0.000 0.382 196 F C -1.564 174.113 175.800 -0.206 0.000 1.466 196 F CA -1.608 56.255 58.000 -0.228 0.000 1.137 196 F CB 0.242 38.972 39.000 -0.450 0.000 1.205 196 F HN 0.027 nan 8.300 nan 0.000 0.525 197 P HA -0.103 nan 4.420 nan 0.000 0.233 197 P C 1.013 178.289 177.300 -0.039 0.000 1.167 197 P CA 1.100 64.178 63.100 -0.037 0.000 0.770 197 P CB 0.182 31.857 31.700 -0.040 0.000 0.837 198 D N 1.025 121.402 120.400 -0.040 0.000 2.087 198 D HA -0.176 4.464 4.640 -0.000 0.000 0.192 198 D C 2.047 178.331 176.300 -0.026 0.000 0.993 198 D CA 1.059 55.042 54.000 -0.027 0.000 0.828 198 D CB -0.961 39.826 40.800 -0.021 0.000 0.968 198 D HN 0.186 nan 8.370 nan 0.000 0.448 199 I N 0.988 121.537 120.570 -0.035 0.000 2.076 199 I HA -0.219 3.951 4.170 -0.000 0.000 0.237 199 I C 2.954 179.009 176.117 -0.102 0.000 1.059 199 I CA 0.947 62.197 61.300 -0.084 0.000 1.317 199 I CB -0.367 37.503 38.000 -0.217 0.000 1.037 199 I HN -0.051 nan 8.210 nan 0.000 0.398 200 I N 0.905 121.390 120.570 -0.141 0.000 2.700 200 I HA -0.241 3.929 4.170 -0.000 0.000 0.261 200 I C 2.301 178.386 176.117 -0.053 0.000 1.219 200 I CA 1.432 62.669 61.300 -0.107 0.000 1.463 200 I CB 0.054 37.983 38.000 -0.118 0.000 1.092 200 I HN 0.333 nan 8.210 nan 0.000 0.452 201 S N -1.054 114.621 115.700 -0.041 0.000 2.540 201 S HA 0.238 4.708 4.470 -0.000 0.000 0.218 201 S C 0.950 175.540 174.600 -0.017 0.000 0.977 201 S CA -0.041 58.144 58.200 -0.025 0.000 0.918 201 S CB 0.025 63.212 63.200 -0.022 0.000 0.806 201 S HN 0.332 nan 8.310 nan 0.000 0.496 202 G N 2.220 111.010 108.800 -0.018 0.000 2.531 202 G HA2 0.585 4.545 3.960 -0.000 0.000 0.281 202 G HA3 0.585 4.545 3.960 -0.000 0.000 0.281 202 G C -2.802 172.100 174.900 0.002 0.000 1.382 202 G CA -1.839 43.258 45.100 -0.005 0.000 1.045 202 G HN 0.292 nan 8.290 nan 0.000 0.533 203 P HA 0.088 nan 4.420 nan 0.000 0.271 203 P C 0.465 177.784 177.300 0.031 0.000 1.216 203 P CA -0.220 62.892 63.100 0.021 0.000 0.771 203 P CB 1.335 33.049 31.700 0.025 0.000 0.864 204 Q N 1.693 121.512 119.800 0.032 0.000 2.207 204 Q HA -0.279 4.061 4.340 -0.000 0.000 0.215 204 Q C 1.820 177.857 176.000 0.062 0.000 1.006 204 Q CA 2.055 57.884 55.803 0.043 0.000 0.903 204 Q CB -0.586 28.175 28.738 0.039 0.000 0.947 204 Q HN 0.524 nan 8.270 nan 0.000 0.414 205 Q N -0.091 119.745 119.800 0.059 0.000 2.002 205 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 205 Q C 1.971 178.030 176.000 0.098 0.000 0.988 205 Q CA 2.546 58.393 55.803 0.073 0.000 0.843 205 Q CB -0.754 28.018 28.738 0.057 0.000 0.908 205 Q HN 0.504 nan 8.270 nan 0.000 0.420 206 T N 1.083 115.690 114.554 0.089 0.000 2.788 206 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 206 T C 1.760 176.551 174.700 0.151 0.000 1.044 206 T CA 1.544 63.712 62.100 0.114 0.000 1.139 206 T CB -0.237 68.683 68.868 0.086 0.000 0.867 206 T HN 0.421 nan 8.240 nan 0.000 0.454 207 Q N 1.071 120.941 119.800 0.117 0.000 2.077 207 Q HA -0.138 4.202 4.340 -0.000 0.000 0.206 207 Q C 2.381 178.516 176.000 0.226 0.000 0.989 207 Q CA 1.323 57.216 55.803 0.150 0.000 0.853 207 Q CB -0.268 28.520 28.738 0.083 0.000 0.907 207 Q HN 0.518 nan 8.270 nan 0.000 0.418 208 K N 0.147 120.648 120.400 0.167 0.000 2.211 208 K HA -0.086 4.234 4.320 -0.000 0.000 0.203 208 K C 2.100 178.800 176.600 0.168 0.000 1.050 208 K CA 1.066 57.450 56.287 0.161 0.000 0.945 208 K CB 0.057 32.644 32.500 0.145 0.000 0.732 208 K HN 0.048 nan 8.250 nan 0.000 0.451 209 V N 1.133 121.164 119.914 0.196 0.000 2.270 209 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 209 V C 1.966 178.134 176.094 0.124 0.000 1.043 209 V CA 1.612 64.034 62.300 0.204 0.000 1.014 209 V CB -0.633 31.346 31.823 0.261 0.000 0.645 209 V HN 0.219 nan 8.190 nan 0.000 0.447 210 F N 0.952 120.923 119.950 0.035 0.000 2.043 210 F HA -0.243 4.284 4.527 -0.000 0.000 0.297 210 F C 2.100 177.863 175.800 -0.061 0.000 1.121 210 F CA 1.904 59.883 58.000 -0.034 0.000 1.199 210 F CB -0.590 38.354 39.000 -0.094 0.000 0.968 210 F HN 0.014 nan 8.300 nan 0.000 0.478 211 L N -0.873 120.218 121.223 -0.219 0.000 1.990 211 L HA -0.249 4.091 4.340 -0.000 0.000 0.213 211 L C 2.524 179.211 176.870 -0.305 0.000 1.072 211 L CA 1.946 56.599 54.840 -0.311 0.000 0.755 211 L CB -0.968 41.101 42.059 0.016 0.000 0.889 211 L HN 0.297 nan 8.230 nan 0.000 0.432 212 F N 0.712 120.476 119.950 -0.310 0.000 2.065 212 F HA -0.311 4.216 4.527 -0.000 0.000 0.298 212 F C 2.337 177.896 175.800 -0.402 0.000 1.112 212 F CA 1.824 59.588 58.000 -0.393 0.000 1.212 212 F CB -0.147 38.436 39.000 -0.696 0.000 0.975 212 F HN -0.095 nan 8.300 nan 0.000 0.476 213 I N 0.116 120.633 120.570 -0.089 0.000 2.118 213 I HA -0.383 3.787 4.170 -0.000 0.000 0.241 213 I C 2.712 178.711 176.117 -0.196 0.000 1.070 213 I CA 1.694 62.962 61.300 -0.053 0.000 1.327 213 I CB -0.760 37.235 38.000 -0.008 0.000 1.034 213 I HN 0.151 nan 8.210 nan 0.000 0.405 214 R N 1.365 121.629 120.500 -0.393 0.000 2.154 214 R HA -0.264 4.076 4.340 -0.000 0.000 0.236 214 R C 2.116 178.264 176.300 -0.255 0.000 1.121 214 R CA 2.681 58.557 56.100 -0.373 0.000 0.915 214 R CB -0.644 29.299 30.300 -0.596 0.000 0.856 214 R HN 0.384 nan 8.270 nan 0.000 0.431 215 N N 0.446 118.956 118.700 -0.317 0.000 2.104 215 N HA -0.199 4.541 4.740 -0.000 0.000 0.190 215 N C 1.835 177.163 175.510 -0.303 0.000 1.024 215 N CA 1.314 54.198 53.050 -0.277 0.000 0.853 215 N CB -0.555 37.736 38.487 -0.326 0.000 1.008 215 N HN 0.197 nan 8.380 nan 0.000 0.424 216 R N 0.900 121.128 120.500 -0.453 0.000 2.080 216 R HA -0.018 4.322 4.340 -0.000 0.000 0.236 216 R C 1.959 178.185 176.300 -0.123 0.000 1.137 216 R CA 1.916 57.797 56.100 -0.365 0.000 0.943 216 R CB -1.177 28.932 30.300 -0.319 0.000 0.846 216 R HN 0.205 nan 8.270 nan 0.000 0.431 217 T N 1.365 115.881 114.554 -0.064 0.000 2.720 217 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 217 T C 1.861 176.595 174.700 0.056 0.000 1.037 217 T CA 1.544 63.666 62.100 0.036 0.000 1.144 217 T CB -0.276 68.630 68.868 0.064 0.000 0.864 217 T HN 0.124 nan 8.240 nan 0.000 0.444 218 L N 0.840 122.073 121.223 0.016 0.000 1.990 218 L HA -0.245 4.095 4.340 -0.000 0.000 0.213 218 L C 2.968 179.880 176.870 0.069 0.000 1.072 218 L CA 1.846 56.731 54.840 0.074 0.000 0.755 218 L CB -0.644 41.431 42.059 0.026 0.000 0.889 218 L HN 0.327 nan 8.230 nan 0.000 0.432 219 Q N 0.163 119.957 119.800 -0.010 0.000 2.096 219 Q HA -0.275 4.065 4.340 -0.000 0.000 0.208 219 Q C 2.313 178.304 176.000 -0.014 0.000 0.993 219 Q CA 2.076 57.859 55.803 -0.033 0.000 0.862 219 Q CB -0.235 28.460 28.738 -0.072 0.000 0.915 219 Q HN 0.446 nan 8.270 nan 0.000 0.416 220 L N -0.073 121.165 121.223 0.024 0.000 1.989 220 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 220 L C 2.449 179.364 176.870 0.075 0.000 1.071 220 L CA 2.072 56.942 54.840 0.050 0.000 0.749 220 L CB -0.921 41.188 42.059 0.084 0.000 0.890 220 L HN 0.553 nan 8.230 nan 0.000 0.431 221 W N 0.570 121.835 121.300 -0.057 0.000 2.363 221 W HA -0.208 4.452 4.660 -0.000 0.000 0.296 221 W C 2.031 178.487 176.519 -0.106 0.000 1.212 221 W CA 1.263 58.551 57.345 -0.096 0.000 1.260 221 W CB -0.119 29.267 29.460 -0.123 0.000 1.131 221 W HN 0.139 nan 8.180 nan 0.000 0.530 222 L N 0.817 121.874 121.223 -0.277 0.000 2.027 222 L HA -0.238 4.102 4.340 -0.000 0.000 0.206 222 L C 2.333 178.990 176.870 -0.355 0.000 1.074 222 L CA 1.686 56.271 54.840 -0.425 0.000 0.745 222 L CB -1.151 40.796 42.059 -0.187 0.000 0.898 222 L HN -0.178 nan 8.230 nan 0.000 0.433 223 D N -0.025 120.255 120.400 -0.200 0.000 2.228 223 D HA -0.171 4.469 4.640 -0.000 0.000 0.203 223 D C 0.645 176.838 176.300 -0.177 0.000 0.988 223 D CA 1.250 55.161 54.000 -0.149 0.000 0.864 223 D CB -0.198 40.553 40.800 -0.082 0.000 0.928 223 D HN 0.162 nan 8.370 nan 0.000 0.469 224 N N -1.333 117.221 118.700 -0.243 0.000 2.827 224 N HA 0.122 4.862 4.740 -0.000 0.000 0.240 224 N C -2.646 172.658 175.510 -0.342 0.000 1.352 224 N CA -1.126 51.795 53.050 -0.215 0.000 0.760 224 N CB 1.389 39.823 38.487 -0.089 0.000 1.426 224 N HN -0.221 nan 8.380 nan 0.000 0.561 225 P HA 0.237 nan 4.420 nan 0.000 0.268 225 P C 0.537 177.666 177.300 -0.286 0.000 1.329 225 P CA 0.194 62.700 63.100 -0.990 0.000 0.899 225 P CB 0.424 31.298 31.700 -1.377 0.000 1.378 226 K N 0.354 120.688 120.400 -0.109 0.000 2.459 226 K HA 0.136 4.456 4.320 -0.000 0.000 0.193 226 K C 0.864 177.550 176.600 0.143 0.000 1.030 226 K CA 0.397 56.704 56.287 0.034 0.000 1.026 226 K CB -0.113 32.386 32.500 -0.001 0.000 0.809 226 K HN 0.334 nan 8.250 nan 0.000 0.504 227 I N -2.469 118.210 120.570 0.180 0.000 2.686 227 I HA 0.228 4.398 4.170 -0.000 0.000 0.295 227 I C -0.676 175.595 176.117 0.258 0.000 1.114 227 I CA -1.285 60.142 61.300 0.212 0.000 1.038 227 I CB 1.810 39.883 38.000 0.121 0.000 1.238 227 I HN -0.180 nan 8.210 nan 0.000 0.420 228 Q N 3.912 123.843 119.800 0.219 0.000 2.364 228 Q HA 0.268 4.608 4.340 -0.000 0.000 0.267 228 Q C -1.409 174.630 176.000 0.064 0.000 0.999 228 Q CA -0.337 55.489 55.803 0.039 0.000 0.886 228 Q CB 1.378 30.202 28.738 0.142 0.000 1.243 228 Q HN 0.767 nan 8.270 nan 0.000 0.415 229 L N 4.889 126.117 121.223 0.009 0.000 2.259 229 L HA 0.308 4.648 4.340 -0.000 0.000 0.288 229 L C -0.378 176.636 176.870 0.240 0.000 1.051 229 L CA 0.086 55.003 54.840 0.128 0.000 0.824 229 L CB 1.053 43.210 42.059 0.164 0.000 1.206 229 L HN 0.866 nan 8.230 nan 0.000 0.429 230 T N 0.720 115.350 114.554 0.126 0.000 2.874 230 T HA 0.150 4.500 4.350 -0.000 0.000 0.281 230 T C 1.015 175.575 174.700 -0.233 0.000 0.994 230 T CA -0.395 61.718 62.100 0.022 0.000 1.015 230 T CB 0.583 69.447 68.868 -0.007 0.000 1.028 230 T HN 0.401 nan 8.240 nan 0.000 0.523 231 F N 1.297 120.829 119.950 -0.697 0.000 2.216 231 F HA 0.036 4.563 4.527 -0.000 0.000 0.300 231 F C 1.854 177.451 175.800 -0.338 0.000 1.085 231 F CA 1.336 58.877 58.000 -0.764 0.000 1.326 231 F CB -0.748 37.849 39.000 -0.672 0.000 1.027 231 F HN 0.676 nan 8.300 nan 0.000 0.497 232 E N 0.815 120.727 120.200 -0.480 0.000 2.007 232 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 232 E C 2.490 178.925 176.600 -0.274 0.000 0.999 232 E CA 1.673 57.806 56.400 -0.445 0.000 0.811 232 E CB -1.134 28.415 29.700 -0.251 0.000 0.762 232 E HN 0.344 nan 8.360 nan 0.000 0.450 233 A N 0.465 123.198 122.820 -0.145 0.000 1.940 233 A HA -0.329 3.991 4.320 -0.000 0.000 0.221 233 A C 2.390 179.948 177.584 -0.043 0.000 1.190 233 A CA 2.653 54.653 52.037 -0.062 0.000 0.647 233 A CB -1.429 17.569 19.000 -0.004 0.000 0.821 233 A HN 0.340 nan 8.150 nan 0.000 0.457 234 T N -0.293 114.238 114.554 -0.038 0.000 2.595 234 T HA -0.162 4.188 4.350 -0.000 0.000 0.264 234 T C 1.849 176.548 174.700 -0.002 0.000 1.058 234 T CA 1.602 63.725 62.100 0.039 0.000 1.166 234 T CB -0.465 68.494 68.868 0.151 0.000 0.863 234 T HN 0.315 nan 8.240 nan 0.000 0.415 235 L N 1.200 122.348 121.223 -0.125 0.000 2.046 235 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 235 L C 2.558 179.384 176.870 -0.073 0.000 1.077 235 L CA 1.776 56.545 54.840 -0.118 0.000 0.747 235 L CB -0.987 40.869 42.059 -0.337 0.000 0.896 235 L HN 0.151 nan 8.230 nan 0.000 0.432 236 Q N 0.023 119.761 119.800 -0.103 0.000 2.047 236 Q HA -0.312 4.028 4.340 -0.000 0.000 0.211 236 Q C 2.206 178.201 176.000 -0.009 0.000 1.005 236 Q CA 2.420 58.188 55.803 -0.057 0.000 0.866 236 Q CB -0.425 28.278 28.738 -0.059 0.000 0.938 236 Q HN 0.651 nan 8.270 nan 0.000 0.414 237 Q N -0.780 119.027 119.800 0.012 0.000 2.444 237 Q HA 0.210 4.549 4.340 -0.000 0.000 0.206 237 Q C -0.181 175.870 176.000 0.086 0.000 0.948 237 Q CA -0.307 55.523 55.803 0.044 0.000 0.946 237 Q CB 0.251 29.016 28.738 0.046 0.000 1.027 237 Q HN 0.310 nan 8.270 nan 0.000 0.513 238 L N 0.622 121.904 121.223 0.098 0.000 2.468 238 L HA 0.210 4.550 4.340 -0.000 0.000 0.254 238 L C 0.390 177.332 176.870 0.120 0.000 1.171 238 L CA -0.169 54.767 54.840 0.160 0.000 0.809 238 L CB 0.870 43.040 42.059 0.185 0.000 1.155 238 L HN 0.117 nan 8.230 nan 0.000 0.473 239 E N 0.268 120.552 120.200 0.141 0.000 2.359 239 E HA 0.498 4.848 4.350 -0.000 0.000 0.266 239 E C -0.984 175.589 176.600 -0.045 0.000 0.920 239 E CA -1.018 55.406 56.400 0.039 0.000 0.788 239 E CB 1.904 31.616 29.700 0.019 0.000 1.279 239 E HN 0.596 nan 8.360 nan 0.000 0.438 240 A N 2.025 124.787 122.820 -0.098 0.000 2.462 240 A HA 0.235 4.555 4.320 -0.000 0.000 0.243 240 A C -1.420 175.950 177.584 -0.358 0.000 1.076 240 A CA -0.808 51.127 52.037 -0.169 0.000 0.773 240 A CB -0.240 18.693 19.000 -0.113 0.000 1.010 240 A HN 0.407 nan 8.150 nan 0.000 0.493 241 P HA -0.046 nan 4.420 nan 0.000 0.241 241 P C 0.421 177.576 177.300 -0.242 0.000 1.191 241 P CA 0.955 63.839 63.100 -0.359 0.000 0.771 241 P CB -0.002 31.479 31.700 -0.366 0.000 0.929 242 Y N 2.280 122.527 120.300 -0.088 0.000 2.133 242 Y HA -0.119 4.431 4.550 -0.000 0.000 0.287 242 Y C 2.068 177.984 175.900 0.025 0.000 1.134 242 Y CA 1.186 59.259 58.100 -0.044 0.000 1.133 242 Y CB -2.037 36.361 38.460 -0.103 0.000 0.987 242 Y HN 0.097 nan 8.280 nan 0.000 0.502 243 N N 0.582 119.381 118.700 0.165 0.000 2.668 243 N HA -0.098 4.642 4.740 -0.000 0.000 0.201 243 N C 1.021 176.576 175.510 0.074 0.000 1.408 243 N CA 0.900 54.019 53.050 0.115 0.000 0.905 243 N CB -0.473 38.058 38.487 0.073 0.000 1.093 243 N HN 0.408 nan 8.380 nan 0.000 0.453 244 S N -1.328 114.416 115.700 0.074 0.000 2.460 244 S HA -0.017 4.453 4.470 -0.000 0.000 0.226 244 S C 0.411 175.060 174.600 0.081 0.000 1.057 244 S CA -0.187 58.044 58.200 0.052 0.000 0.948 244 S CB -0.109 63.102 63.200 0.018 0.000 0.822 244 S HN 0.206 nan 8.310 nan 0.000 0.512 245 D N 2.232 122.701 120.400 0.115 0.000 2.347 245 D HA 0.284 4.924 4.640 -0.000 0.000 0.235 245 D C 1.152 177.559 176.300 0.178 0.000 1.149 245 D CA 0.268 54.348 54.000 0.133 0.000 0.850 245 D CB 1.745 42.628 40.800 0.138 0.000 1.061 245 D HN 0.423 nan 8.370 nan 0.000 0.487 246 T N -0.007 114.657 114.554 0.183 0.000 3.035 246 T HA -0.068 4.282 4.350 -0.000 0.000 0.259 246 T C 1.958 176.838 174.700 0.300 0.000 1.078 246 T CA 0.964 63.228 62.100 0.273 0.000 1.132 246 T CB -0.364 68.659 68.868 0.259 0.000 0.900 246 T HN 0.216 nan 8.240 nan 0.000 0.480 247 V N 0.479 120.519 119.914 0.209 0.000 2.343 247 V HA -0.023 4.097 4.120 -0.000 0.000 0.247 247 V C 2.451 178.650 176.094 0.176 0.000 1.051 247 V CA 0.881 63.282 62.300 0.168 0.000 1.036 247 V CB -1.486 30.403 31.823 0.110 0.000 0.654 247 V HN 0.297 nan 8.190 nan 0.000 0.451 248 L N 0.664 122.007 121.223 0.201 0.000 1.924 248 L HA -0.135 4.205 4.340 -0.000 0.000 0.222 248 L C 2.558 179.593 176.870 0.275 0.000 1.081 248 L CA 2.268 57.258 54.840 0.250 0.000 0.780 248 L CB -1.049 41.157 42.059 0.245 0.000 0.891 248 L HN 0.171 nan 8.230 nan 0.000 0.434 249 V N -0.029 120.060 119.914 0.290 0.000 2.280 249 V HA -0.447 3.673 4.120 -0.000 0.000 0.258 249 V C 2.595 178.868 176.094 0.298 0.000 1.081 249 V CA 2.334 64.843 62.300 0.347 0.000 1.070 249 V CB -1.121 30.981 31.823 0.465 0.000 0.666 249 V HN 0.680 nan 8.190 nan 0.000 0.450 250 H N 0.393 119.410 119.070 -0.090 0.000 2.293 250 H HA -0.096 4.460 4.556 -0.000 0.000 0.300 250 H C 2.506 177.709 175.328 -0.208 0.000 1.082 250 H CA 2.288 57.894 56.048 -0.736 0.000 1.308 250 H CB -0.304 28.943 29.762 -0.858 0.000 1.375 250 H HN 0.332 nan 8.280 nan 0.000 0.495 251 R N -0.449 120.085 120.500 0.058 0.000 2.113 251 R HA -0.149 4.191 4.340 -0.000 0.000 0.244 251 R C 2.554 179.064 176.300 0.349 0.000 1.142 251 R CA 1.863 58.049 56.100 0.143 0.000 0.953 251 R CB -0.533 29.885 30.300 0.197 0.000 0.860 251 R HN 0.165 nan 8.270 nan 0.000 0.438 252 V N 0.287 120.451 119.914 0.416 0.000 2.223 252 V HA -0.321 3.799 4.120 -0.000 0.000 0.244 252 V C 2.420 178.679 176.094 0.275 0.000 1.045 252 V CA 2.166 64.680 62.300 0.358 0.000 1.000 252 V CB -0.896 31.032 31.823 0.175 0.000 0.635 252 V HN 0.501 nan 8.190 nan 0.000 0.445 253 H N 0.187 119.353 119.070 0.161 0.000 2.394 253 H HA -0.175 4.381 4.556 -0.000 0.000 0.297 253 H C 2.332 177.698 175.328 0.064 0.000 1.113 253 H CA 2.226 58.350 56.048 0.128 0.000 1.277 253 H CB 0.030 29.914 29.762 0.203 0.000 1.370 253 H HN 0.444 nan 8.280 nan 0.000 0.506 254 S N -0.332 115.458 115.700 0.149 0.000 2.377 254 S HA -0.113 4.357 4.470 -0.000 0.000 0.223 254 S C 1.908 176.364 174.600 -0.240 0.000 1.030 254 S CA 0.776 58.975 58.200 -0.000 0.000 0.970 254 S CB -0.526 62.670 63.200 -0.006 0.000 0.830 254 S HN 0.622 nan 8.310 nan 0.000 0.473 255 Y N 2.907 122.950 120.300 -0.428 0.000 2.128 255 Y HA -0.140 4.410 4.550 -0.000 0.000 0.284 255 Y C 1.834 177.622 175.900 -0.186 0.000 1.154 255 Y CA 1.372 59.142 58.100 -0.550 0.000 1.149 255 Y CB -0.562 37.786 38.460 -0.186 0.000 0.976 255 Y HN 0.104 nan 8.280 nan 0.000 0.505 256 L N 0.442 121.552 121.223 -0.188 0.000 2.013 256 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 256 L C 2.627 179.302 176.870 -0.325 0.000 1.073 256 L CA 2.307 56.960 54.840 -0.312 0.000 0.753 256 L CB -0.859 41.086 42.059 -0.190 0.000 0.890 256 L HN 0.395 nan 8.230 nan 0.000 0.432 257 E N 0.210 120.198 120.200 -0.354 0.000 2.150 257 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 257 E C 2.271 178.774 176.600 -0.163 0.000 0.985 257 E CA 0.834 57.058 56.400 -0.293 0.000 0.814 257 E CB 0.151 29.663 29.700 -0.313 0.000 0.752 257 E HN 0.172 nan 8.360 nan 0.000 0.466 258 R N 0.172 120.501 120.500 -0.285 0.000 2.075 258 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 258 R C 1.070 177.204 176.300 -0.277 0.000 1.126 258 R CA 1.860 57.725 56.100 -0.392 0.000 0.963 258 R CB -0.518 29.511 30.300 -0.451 0.000 0.858 258 R HN 0.259 nan 8.270 nan 0.000 0.435 259 H N -1.330 117.582 119.070 -0.264 0.000 2.517 259 H HA 0.369 4.925 4.556 -0.000 0.000 0.282 259 H C 0.666 175.899 175.328 -0.159 0.000 1.023 259 H CA 0.529 56.452 56.048 -0.209 0.000 1.169 259 H CB 0.618 30.156 29.762 -0.373 0.000 1.454 259 H HN 0.461 nan 8.280 nan 0.000 0.556 260 G N 0.659 109.451 108.800 -0.013 0.000 2.147 260 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.244 260 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.244 260 G C 0.951 175.866 174.900 0.026 0.000 1.005 260 G CA 0.494 45.601 45.100 0.012 0.000 0.713 260 G HN 0.469 nan 8.290 nan 0.000 0.515 261 L N -0.589 120.615 121.223 -0.032 0.000 2.270 261 L HA 0.318 4.658 4.340 -0.000 0.000 0.210 261 L C 1.628 178.549 176.870 0.086 0.000 1.104 261 L CA 1.288 56.157 54.840 0.048 0.000 0.804 261 L CB -0.122 41.900 42.059 -0.061 0.000 0.937 261 L HN 0.613 nan 8.230 nan 0.000 0.450 262 I N -4.994 115.403 120.570 -0.288 0.000 2.892 262 I HA 0.400 4.570 4.170 -0.000 0.000 0.306 262 I C -0.669 174.692 176.117 -1.260 0.000 1.078 262 I CA -0.987 59.661 61.300 -1.086 0.000 1.032 262 I CB 1.703 39.255 38.000 -0.745 0.000 1.229 262 I HN -0.049 nan 8.210 nan 0.000 0.435 263 N N 2.762 119.973 118.700 -2.481 0.000 2.671 263 N HA -0.221 4.519 4.740 -0.000 0.000 0.261 263 N C -1.065 173.964 175.510 -0.800 0.000 1.053 263 N CA 1.285 53.140 53.050 -1.992 0.000 0.732 263 N CB -1.324 36.390 38.487 -1.290 0.000 0.887 263 N HN 0.738 nan 8.380 nan 0.000 0.546 264 F N -2.476 117.217 119.950 -0.428 0.000 2.639 264 F HA 0.870 5.397 4.527 -0.000 0.000 0.339 264 F C 1.212 177.259 175.800 0.411 0.000 1.071 264 F CA 0.012 58.090 58.000 0.130 0.000 0.994 264 F CB 0.652 39.679 39.000 0.044 0.000 1.341 264 F HN 0.282 nan 8.300 nan 0.000 0.498 265 G N 0.928 110.070 108.800 0.571 0.000 2.527 265 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.268 265 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.268 265 G C -0.904 174.120 174.900 0.207 0.000 1.175 265 G CA -0.074 45.251 45.100 0.375 0.000 0.962 265 G HN 0.976 nan 8.290 nan 0.000 0.560 266 I N 2.047 122.727 120.570 0.183 0.000 2.405 266 I HA 0.500 4.670 4.170 -0.000 0.000 0.280 266 I C -0.462 175.742 176.117 0.144 0.000 1.027 266 I CA -0.671 60.650 61.300 0.036 0.000 1.161 266 I CB 0.789 38.805 38.000 0.026 0.000 1.300 266 I HN 0.552 nan 8.210 nan 0.000 0.463 267 Y N 3.466 123.818 120.300 0.086 0.000 2.499 267 Y HA 0.568 5.117 4.550 -0.000 0.000 0.347 267 Y C -0.301 175.638 175.900 0.065 0.000 0.987 267 Y CA -1.738 56.425 58.100 0.105 0.000 1.044 267 Y CB 0.675 39.241 38.460 0.176 0.000 1.245 267 Y HN 0.224 nan 8.280 nan 0.000 0.461 268 K N 2.990 123.501 120.400 0.184 0.000 2.416 268 K HA 0.130 4.450 4.320 -0.000 0.000 0.283 268 K C -0.120 176.604 176.600 0.206 0.000 1.037 268 K CA -0.213 56.147 56.287 0.122 0.000 0.995 268 K CB 0.900 33.459 32.500 0.098 0.000 0.938 268 K HN 0.746 nan 8.250 nan 0.000 0.475 269 R N 2.868 123.451 120.500 0.139 0.000 2.531 269 R HA 0.144 4.484 4.340 -0.000 0.000 0.273 269 R C 1.028 177.402 176.300 0.124 0.000 1.070 269 R CA -0.101 56.104 56.100 0.176 0.000 1.112 269 R CB 0.548 30.913 30.300 0.107 0.000 1.049 269 R HN 0.603 nan 8.270 nan 0.000 0.508 270 I N 1.666 122.308 120.570 0.120 0.000 2.726 270 I HA 0.013 4.183 4.170 -0.000 0.000 0.243 270 I C 0.292 176.449 176.117 0.068 0.000 1.082 270 I CA 0.338 61.687 61.300 0.081 0.000 1.447 270 I CB -0.109 37.932 38.000 0.069 0.000 1.250 270 I HN 0.399 nan 8.210 nan 0.000 0.453 271 K N 3.574 124.020 120.400 0.077 0.000 2.166 271 K HA 0.179 4.499 4.320 -0.000 0.000 0.273 271 K C -2.263 174.377 176.600 0.067 0.000 1.095 271 K CA -1.371 54.956 56.287 0.068 0.000 0.985 271 K CB -0.385 32.160 32.500 0.076 0.000 1.172 271 K HN 0.080 nan 8.250 nan 0.000 0.401 272 P HA -0.047 nan 4.420 nan 0.000 0.271 272 P C -0.053 177.272 177.300 0.043 0.000 1.244 272 P CA -0.349 62.777 63.100 0.043 0.000 0.793 272 P CB 0.600 32.318 31.700 0.030 0.000 0.984 273 L N 2.444 123.688 121.223 0.035 0.000 2.455 273 L HA 0.109 4.449 4.340 -0.000 0.000 0.272 273 L C -1.474 175.418 176.870 0.036 0.000 1.174 273 L CA -1.456 53.406 54.840 0.037 0.000 0.869 273 L CB -0.716 41.356 42.059 0.023 0.000 1.130 273 L HN 0.341 nan 8.230 nan 0.000 0.474 274 P HA -0.169 nan 4.420 nan 0.000 0.238 274 P C 0.750 178.068 177.300 0.030 0.000 1.066 274 P CA 0.651 63.776 63.100 0.041 0.000 0.836 274 P CB 0.257 31.989 31.700 0.052 0.000 0.743 275 T N 2.440 117.009 114.554 0.026 0.000 2.788 275 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 275 T C 0.695 175.405 174.700 0.017 0.000 1.044 275 T CA 1.282 63.393 62.100 0.019 0.000 1.139 275 T CB 0.034 68.913 68.868 0.018 0.000 0.867 275 T HN 0.291 nan 8.240 nan 0.000 0.454 276 K N 1.104 121.516 120.400 0.020 0.000 2.259 276 K HA 0.494 4.814 4.320 -0.000 0.000 0.252 276 K C -0.671 175.942 176.600 0.022 0.000 0.936 276 K CA -0.698 55.600 56.287 0.018 0.000 0.810 276 K CB 2.096 34.607 32.500 0.017 0.000 1.143 276 K HN 0.056 nan 8.250 nan 0.000 0.427 277 K N 0.452 120.863 120.400 0.018 0.000 2.177 277 K HA 0.461 4.781 4.320 -0.000 0.000 0.238 277 K C -0.780 175.833 176.600 0.023 0.000 1.015 277 K CA -0.630 55.669 56.287 0.020 0.000 0.922 277 K CB 1.562 34.067 32.500 0.009 0.000 1.127 277 K HN 0.469 nan 8.250 nan 0.000 0.469 278 T N 0.277 114.846 114.554 0.026 0.000 3.011 278 T HA 0.538 4.888 4.350 -0.000 0.000 0.303 278 T C -0.522 174.195 174.700 0.028 0.000 0.997 278 T CA -0.675 61.445 62.100 0.033 0.000 1.007 278 T CB 1.438 70.333 68.868 0.045 0.000 1.017 278 T HN 0.905 nan 8.240 nan 0.000 0.443 279 G N 2.073 110.885 108.800 0.021 0.000 2.825 279 G HA2 0.091 4.051 3.960 -0.000 0.000 0.684 279 G HA3 0.091 4.051 3.960 -0.000 0.000 0.684 279 G C -0.813 174.047 174.900 -0.067 0.000 1.528 279 G CA -0.386 44.699 45.100 -0.026 0.000 0.963 279 G HN 0.964 nan 8.290 nan 0.000 0.577 280 K N -0.215 120.117 120.400 -0.114 0.000 2.471 280 K HA 0.711 5.031 4.320 -0.000 0.000 0.252 280 K C -0.523 175.987 176.600 -0.150 0.000 0.938 280 K CA -0.591 55.637 56.287 -0.099 0.000 0.796 280 K CB 2.037 34.509 32.500 -0.047 0.000 1.161 280 K HN 1.226 nan 8.250 nan 0.000 0.425 281 V N 4.291 124.120 119.914 -0.142 0.000 2.487 281 V HA 0.541 4.661 4.120 -0.000 0.000 0.298 281 V C -0.329 175.687 176.094 -0.130 0.000 1.028 281 V CA -0.992 61.210 62.300 -0.163 0.000 0.860 281 V CB 1.346 33.050 31.823 -0.199 0.000 0.991 281 V HN 0.656 nan 8.190 nan 0.000 0.427 282 I N 5.338 125.836 120.570 -0.120 0.000 2.365 282 I HA 0.468 4.638 4.170 -0.000 0.000 0.291 282 I C -0.075 175.959 176.117 -0.138 0.000 1.004 282 I CA -0.544 60.669 61.300 -0.144 0.000 1.311 282 I CB 1.415 39.334 38.000 -0.137 0.000 1.401 282 I HN 0.541 nan 8.210 nan 0.000 0.491 283 I N 7.177 127.653 120.570 -0.156 0.000 2.382 283 I HA 0.361 4.531 4.170 -0.000 0.000 0.286 283 I C 0.041 176.081 176.117 -0.129 0.000 1.002 283 I CA -0.585 60.639 61.300 -0.126 0.000 1.135 283 I CB 1.652 39.580 38.000 -0.121 0.000 1.288 283 I HN 0.296 nan 8.210 nan 0.000 0.448 284 I N 6.033 126.549 120.570 -0.090 0.000 2.452 284 I HA 0.386 4.556 4.170 -0.000 0.000 0.287 284 I C 0.872 176.953 176.117 -0.061 0.000 1.079 284 I CA 0.156 61.406 61.300 -0.083 0.000 1.387 284 I CB 0.397 38.374 38.000 -0.039 0.000 1.404 284 I HN 0.843 nan 8.210 nan 0.000 0.522 285 G N 4.267 113.010 108.800 -0.095 0.000 3.019 285 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.686 285 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.686 285 G C 0.074 174.931 174.900 -0.071 0.000 1.056 285 G CA -0.199 44.855 45.100 -0.076 0.000 0.774 285 G HN 0.861 nan 8.290 nan 0.000 0.583 286 S N 1.834 117.488 115.700 -0.076 0.000 2.552 286 S HA 0.579 5.049 4.470 -0.000 0.000 0.246 286 S C 1.431 176.009 174.600 -0.037 0.000 1.019 286 S CA 0.653 58.815 58.200 -0.063 0.000 1.045 286 S CB 0.428 63.583 63.200 -0.075 0.000 0.784 286 S HN 2.088 nan 8.310 nan 0.000 0.453 287 G N 0.948 109.737 108.800 -0.018 0.000 2.855 287 G HA2 0.220 4.180 3.960 -0.000 0.000 0.248 287 G HA3 0.220 4.180 3.960 -0.000 0.000 0.248 287 G C 0.951 175.836 174.900 -0.025 0.000 1.243 287 G CA -0.103 44.994 45.100 -0.006 0.000 0.881 287 G HN 0.288 nan 8.290 nan 0.000 0.598 288 V N 1.037 120.928 119.914 -0.037 0.000 2.307 288 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 288 V C 3.271 179.342 176.094 -0.038 0.000 1.045 288 V CA 2.676 64.949 62.300 -0.046 0.000 1.024 288 V CB -0.733 31.047 31.823 -0.071 0.000 0.651 288 V HN 0.979 nan 8.190 nan 0.000 0.449 289 S N 1.134 116.815 115.700 -0.031 0.000 2.368 289 S HA -0.224 4.246 4.470 -0.000 0.000 0.226 289 S C 2.147 176.724 174.600 -0.037 0.000 1.044 289 S CA 1.877 60.059 58.200 -0.030 0.000 1.062 289 S CB -1.465 61.729 63.200 -0.011 0.000 0.931 289 S HN 0.578 nan 8.310 nan 0.000 0.440 290 G N 2.439 111.221 108.800 -0.030 0.000 2.672 290 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 290 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 290 G C 1.486 176.348 174.900 -0.063 0.000 1.238 290 G CA 1.434 46.506 45.100 -0.047 0.000 0.791 290 G HN 0.539 nan 8.290 nan 0.000 0.606 291 L N 0.985 122.174 121.223 -0.056 0.000 2.042 291 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 291 L C 3.417 180.250 176.870 -0.062 0.000 1.076 291 L CA 1.417 56.221 54.840 -0.059 0.000 0.749 291 L CB -0.491 41.542 42.059 -0.042 0.000 0.893 291 L HN 0.316 nan 8.230 nan 0.000 0.432 292 A N -0.426 122.363 122.820 -0.052 0.000 2.019 292 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 292 A C 2.450 179.978 177.584 -0.094 0.000 1.164 292 A CA 1.774 53.780 52.037 -0.052 0.000 0.644 292 A CB -0.601 18.370 19.000 -0.049 0.000 0.805 292 A HN 0.428 nan 8.150 nan 0.000 0.449 293 A N -0.480 122.277 122.820 -0.104 0.000 1.911 293 A HA 0.405 4.725 4.320 -0.000 0.000 0.212 293 A C 2.456 179.937 177.584 -0.172 0.000 1.189 293 A CA 1.412 53.368 52.037 -0.135 0.000 0.639 293 A CB -0.984 17.950 19.000 -0.110 0.000 0.839 293 A HN 0.892 nan 8.150 nan 0.000 0.449 294 A N 0.326 123.060 122.820 -0.143 0.000 1.842 294 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 294 A C 2.184 179.660 177.584 -0.179 0.000 1.206 294 A CA 1.736 53.682 52.037 -0.152 0.000 0.630 294 A CB -0.759 18.168 19.000 -0.122 0.000 0.839 294 A HN 0.463 nan 8.150 nan 0.000 0.447 295 R N -1.123 119.286 120.500 -0.151 0.000 2.196 295 R HA -0.250 4.090 4.340 -0.000 0.000 0.259 295 R C 2.414 178.562 176.300 -0.253 0.000 1.154 295 R CA 2.020 58.023 56.100 -0.162 0.000 0.976 295 R CB -0.487 29.750 30.300 -0.105 0.000 0.888 295 R HN 0.602 nan 8.270 nan 0.000 0.453 296 Q N 0.371 119.968 119.800 -0.339 0.000 1.993 296 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 296 Q C 2.385 177.771 176.000 -1.024 0.000 0.984 296 Q CA 1.345 56.724 55.803 -0.707 0.000 0.837 296 Q CB -0.511 27.841 28.738 -0.644 0.000 0.902 296 Q HN 0.392 nan 8.270 nan 0.000 0.423 297 L N 0.558 121.419 121.223 -0.603 0.000 1.989 297 L HA -0.257 4.083 4.340 -0.000 0.000 0.211 297 L C 2.744 179.478 176.870 -0.227 0.000 1.071 297 L CA 1.642 56.257 54.840 -0.374 0.000 0.749 297 L CB -0.620 41.312 42.059 -0.212 0.000 0.890 297 L HN 0.365 nan 8.230 nan 0.000 0.431 298 Q N -0.127 119.554 119.800 -0.198 0.000 2.045 298 Q HA -0.266 4.074 4.340 -0.000 0.000 0.206 298 Q C 2.348 178.305 176.000 -0.072 0.000 0.991 298 Q CA 2.358 58.093 55.803 -0.113 0.000 0.851 298 Q CB -0.109 28.562 28.738 -0.112 0.000 0.911 298 Q HN 0.341 nan 8.270 nan 0.000 0.418 299 S N -0.268 115.357 115.700 -0.124 0.000 2.423 299 S HA -0.136 4.334 4.470 -0.000 0.000 0.238 299 S C 0.874 175.620 174.600 0.243 0.000 1.028 299 S CA 0.880 59.086 58.200 0.011 0.000 1.000 299 S CB -0.215 62.976 63.200 -0.016 0.000 0.797 299 S HN 0.371 nan 8.310 nan 0.000 0.487 300 F N 1.002 120.953 119.950 0.003 0.000 2.664 300 F HA 0.346 4.873 4.527 -0.000 0.000 0.301 300 F C 1.614 177.417 175.800 0.005 0.000 1.126 300 F CA -0.944 57.059 58.000 0.005 0.000 1.373 300 F CB -1.032 37.960 39.000 -0.013 0.000 1.042 300 F HN 0.156 nan 8.300 nan 0.000 0.535 301 G N 1.699 110.603 108.800 0.173 0.000 2.367 301 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.295 301 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.295 301 G C -0.045 174.896 174.900 0.069 0.000 1.019 301 G CA 0.063 45.219 45.100 0.093 0.000 1.224 301 G HN 0.282 nan 8.290 nan 0.000 0.510 302 M N -0.286 119.337 119.600 0.037 0.000 2.716 302 M HA 0.371 4.851 4.480 -0.000 0.000 0.307 302 M C -0.665 175.619 176.300 -0.027 0.000 1.223 302 M CA -0.955 54.347 55.300 0.002 0.000 0.871 302 M CB 1.840 34.433 32.600 -0.012 0.000 1.739 302 M HN 0.143 nan 8.290 nan 0.000 0.475 303 D N 1.952 122.329 120.400 -0.039 0.000 2.380 303 D HA 0.408 5.048 4.640 -0.000 0.000 0.230 303 D C -1.513 174.749 176.300 -0.064 0.000 1.154 303 D CA -0.103 53.873 54.000 -0.040 0.000 0.859 303 D CB 0.713 41.496 40.800 -0.028 0.000 1.045 303 D HN 0.199 nan 8.370 nan 0.000 0.495 304 V N 3.627 123.498 119.914 -0.071 0.000 2.459 304 V HA 0.536 4.656 4.120 -0.000 0.000 0.295 304 V C 0.278 176.317 176.094 -0.091 0.000 1.029 304 V CA -0.494 61.750 62.300 -0.094 0.000 0.874 304 V CB 2.064 33.822 31.823 -0.110 0.000 0.985 304 V HN 0.556 nan 8.190 nan 0.000 0.438 305 T N 5.758 120.246 114.554 -0.111 0.000 2.916 305 T HA 0.696 5.046 4.350 -0.000 0.000 0.298 305 T C -0.807 173.782 174.700 -0.185 0.000 1.031 305 T CA -0.444 61.575 62.100 -0.134 0.000 0.993 305 T CB 1.507 70.304 68.868 -0.118 0.000 1.045 305 T HN 0.313 nan 8.240 nan 0.000 0.454 306 L N 2.786 123.898 121.223 -0.185 0.000 2.317 306 L HA 0.608 4.948 4.340 -0.000 0.000 0.281 306 L C -0.509 176.213 176.870 -0.246 0.000 1.024 306 L CA -0.780 53.943 54.840 -0.195 0.000 0.810 306 L CB 1.108 43.078 42.059 -0.147 0.000 1.240 306 L HN 0.401 nan 8.230 nan 0.000 0.427 307 L N 2.596 123.659 121.223 -0.267 0.000 2.277 307 L HA 0.485 4.825 4.340 -0.000 0.000 0.284 307 L C -0.329 176.398 176.870 -0.239 0.000 1.028 307 L CA -0.478 54.185 54.840 -0.295 0.000 0.835 307 L CB 1.356 43.206 42.059 -0.349 0.000 1.215 307 L HN 0.533 nan 8.230 nan 0.000 0.425 308 E N 1.917 121.977 120.200 -0.234 0.000 2.175 308 E HA 0.477 4.827 4.350 -0.000 0.000 0.278 308 E C 0.364 176.768 176.600 -0.328 0.000 0.969 308 E CA -0.187 56.069 56.400 -0.240 0.000 0.796 308 E CB 2.091 31.682 29.700 -0.181 0.000 1.104 308 E HN 0.566 nan 8.360 nan 0.000 0.395 309 A N 5.445 127.968 122.820 -0.496 0.000 1.930 309 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 309 A C 1.091 178.282 177.584 -0.654 0.000 1.176 309 A CA 0.703 52.262 52.037 -0.795 0.000 0.632 309 A CB -0.116 17.868 19.000 -1.693 0.000 0.819 309 A HN 0.595 nan 8.150 nan 0.000 0.445 310 R N 0.374 120.568 120.500 -0.510 0.000 2.840 310 R HA 0.175 4.515 4.340 -0.000 0.000 0.282 310 R C -0.309 175.917 176.300 -0.123 0.000 1.133 310 R CA 0.424 56.395 56.100 -0.214 0.000 1.208 310 R CB 0.058 30.314 30.300 -0.073 0.000 1.160 310 R HN 0.477 nan 8.270 nan 0.000 0.576 311 D N 0.057 120.430 120.400 -0.044 0.000 2.463 311 D HA 0.065 4.705 4.640 -0.000 0.000 0.224 311 D C -0.093 176.192 176.300 -0.025 0.000 1.174 311 D CA -0.212 53.768 54.000 -0.035 0.000 0.829 311 D CB 0.070 40.865 40.800 -0.009 0.000 0.993 311 D HN 0.436 nan 8.370 nan 0.000 0.497 312 R N -1.170 119.315 120.500 -0.025 0.000 2.734 312 R HA 0.558 4.898 4.340 -0.000 0.000 0.271 312 R C -0.339 175.948 176.300 -0.021 0.000 1.021 312 R CA -0.994 55.097 56.100 -0.014 0.000 0.893 312 R CB 0.867 31.173 30.300 0.011 0.000 1.244 312 R HN -0.141 nan 8.270 nan 0.000 0.464 313 V N -1.324 118.580 119.914 -0.018 0.000 3.698 313 V HA 0.651 4.771 4.120 -0.000 0.000 0.280 313 V C 1.331 177.428 176.094 0.004 0.000 0.995 313 V CA 0.389 62.677 62.300 -0.020 0.000 1.000 313 V CB 0.341 32.150 31.823 -0.023 0.000 1.248 313 V HN 1.201 nan 8.190 nan 0.000 0.429 314 G N -1.649 107.149 108.800 -0.002 0.000 2.253 314 G HA2 0.012 3.972 3.960 -0.000 0.000 0.251 314 G HA3 0.012 3.972 3.960 -0.000 0.000 0.251 314 G C 1.609 176.524 174.900 0.025 0.000 0.998 314 G CA 0.828 45.930 45.100 0.003 0.000 0.621 314 G HN 2.654 nan 8.290 nan 0.000 0.524 315 G N 0.276 109.110 108.800 0.058 0.000 2.651 315 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.315 315 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.315 315 G C 0.790 175.793 174.900 0.171 0.000 1.258 315 G CA 1.206 46.371 45.100 0.108 0.000 1.002 315 G HN 1.212 nan 8.290 nan 0.000 0.551 316 R N -0.314 120.248 120.500 0.103 0.000 2.362 316 R HA 0.213 4.553 4.340 -0.000 0.000 0.204 316 R C 0.260 176.533 176.300 -0.046 0.000 1.088 316 R CA 0.286 56.364 56.100 -0.037 0.000 1.121 316 R CB -0.258 29.923 30.300 -0.198 0.000 0.954 316 R HN 0.182 nan 8.270 nan 0.000 0.478 317 V N 1.484 121.408 119.914 0.016 0.000 2.259 317 V HA 0.353 4.473 4.120 -0.000 0.000 0.267 317 V C -0.195 175.970 176.094 0.118 0.000 1.051 317 V CA -0.584 61.708 62.300 -0.013 0.000 0.830 317 V CB 1.080 32.810 31.823 -0.156 0.000 1.080 317 V HN 0.148 nan 8.190 nan 0.000 0.467 318 A N 3.654 126.611 122.820 0.227 0.000 2.318 318 A HA 0.830 5.150 4.320 -0.000 0.000 0.324 318 A C 0.070 177.785 177.584 0.218 0.000 1.170 318 A CA -0.407 51.784 52.037 0.256 0.000 0.810 318 A CB 1.055 20.287 19.000 0.387 0.000 1.198 318 A HN 0.578 nan 8.150 nan 0.000 0.484 319 T N 2.603 117.256 114.554 0.165 0.000 2.815 319 T HA 0.407 4.757 4.350 -0.000 0.000 0.289 319 T C -0.721 174.051 174.700 0.120 0.000 1.000 319 T CA -0.099 62.089 62.100 0.147 0.000 0.958 319 T CB 0.369 69.307 68.868 0.117 0.000 0.944 319 T HN 0.488 nan 8.240 nan 0.000 0.442 320 F N 4.181 124.131 119.950 -0.000 0.000 2.456 320 F HA 0.579 5.106 4.527 -0.000 0.000 0.358 320 F C 0.392 176.176 175.800 -0.027 0.000 1.095 320 F CA -0.347 57.641 58.000 -0.020 0.000 1.216 320 F CB 0.420 39.394 39.000 -0.043 0.000 1.125 320 F HN 0.378 nan 8.300 nan 0.000 0.549 321 R N 5.405 125.376 120.500 -0.881 0.000 2.621 321 R HA 0.512 4.852 4.340 -0.000 0.000 0.284 321 R C -1.465 174.356 176.300 -0.798 0.000 0.998 321 R CA -1.193 54.540 56.100 -0.611 0.000 0.895 321 R CB 2.215 32.346 30.300 -0.280 0.000 1.195 321 R HN 0.652 nan 8.270 nan 0.000 0.450 322 K N 1.278 121.419 120.400 -0.431 0.000 2.578 322 K HA 0.221 4.541 4.320 -0.000 0.000 0.263 322 K C -0.044 176.559 176.600 0.005 0.000 0.973 322 K CA 0.408 56.576 56.287 -0.198 0.000 0.909 322 K CB 1.669 34.093 32.500 -0.127 0.000 1.326 322 K HN 0.742 nan 8.250 nan 0.000 0.440 323 G N 3.687 112.470 108.800 -0.029 0.000 2.686 323 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.329 323 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.329 323 G C 0.378 175.201 174.900 -0.127 0.000 1.187 323 G CA 0.848 45.911 45.100 -0.061 0.000 0.965 323 G HN 0.636 nan 8.290 nan 0.000 0.549 324 N N -0.014 118.524 118.700 -0.271 0.000 2.171 324 N HA 0.233 4.973 4.740 -0.000 0.000 0.212 324 N C -0.197 175.178 175.510 -0.223 0.000 1.184 324 N CA 0.017 52.916 53.050 -0.253 0.000 0.888 324 N CB 0.313 38.633 38.487 -0.278 0.000 1.038 324 N HN 0.447 nan 8.380 nan 0.000 0.517 325 Y N 0.652 120.964 120.300 0.020 0.000 2.442 325 Y HA 0.284 4.834 4.550 -0.000 0.000 0.330 325 Y C 0.570 176.458 175.900 -0.021 0.000 1.129 325 Y CA -0.331 57.795 58.100 0.044 0.000 1.365 325 Y CB 0.796 39.352 38.460 0.161 0.000 1.233 325 Y HN -0.330 nan 8.280 nan 0.000 0.529 326 V N 2.803 122.741 119.914 0.040 0.000 2.567 326 V HA 0.793 4.913 4.120 -0.000 0.000 0.298 326 V C -0.811 174.944 176.094 -0.565 0.000 1.047 326 V CA -0.906 61.305 62.300 -0.149 0.000 0.880 326 V CB 1.503 33.246 31.823 -0.134 0.000 1.009 326 V HN 0.840 nan 8.190 nan 0.000 0.429 327 A N 3.427 126.081 122.820 -0.277 0.000 2.456 327 A HA 0.658 4.978 4.320 -0.000 0.000 0.288 327 A C -0.974 176.620 177.584 0.017 0.000 1.042 327 A CA -0.720 51.081 52.037 -0.392 0.000 0.738 327 A CB 1.000 19.858 19.000 -0.237 0.000 1.266 327 A HN 0.693 nan 8.150 nan 0.000 0.407 328 D N 3.195 123.678 120.400 0.139 0.000 2.371 328 D HA 0.188 4.828 4.640 -0.000 0.000 0.256 328 D C 0.853 177.265 176.300 0.187 0.000 1.193 328 D CA 0.112 54.232 54.000 0.200 0.000 0.881 328 D CB 1.280 42.233 40.800 0.255 0.000 1.143 328 D HN 0.504 nan 8.370 nan 0.000 0.473 329 L N 1.487 122.849 121.223 0.231 0.000 2.591 329 L HA 0.172 4.512 4.340 -0.000 0.000 0.228 329 L C 1.592 178.757 176.870 0.491 0.000 1.133 329 L CA 0.011 55.023 54.840 0.286 0.000 0.880 329 L CB 0.008 42.199 42.059 0.219 0.000 1.033 329 L HN 0.357 nan 8.230 nan 0.000 0.450 330 G N -0.477 108.542 108.800 0.365 0.000 3.341 330 G HA2 0.631 4.591 3.960 -0.000 0.000 0.177 330 G HA3 0.631 4.591 3.960 -0.000 0.000 0.177 330 G C -0.366 174.595 174.900 0.102 0.000 1.236 330 G CA 0.043 45.264 45.100 0.201 0.000 0.888 330 G HN 0.131 nan 8.290 nan 0.000 0.644 331 A N -0.652 122.198 122.820 0.050 0.000 2.483 331 A HA 0.523 4.843 4.320 -0.000 0.000 0.238 331 A C 0.678 178.469 177.584 0.345 0.000 1.070 331 A CA 0.925 53.039 52.037 0.128 0.000 0.770 331 A CB 0.573 19.565 19.000 -0.013 0.000 1.008 331 A HN 0.756 nan 8.150 nan 0.000 0.497 332 M N 1.461 121.232 119.600 0.285 0.000 1.957 332 M HA 0.200 4.680 4.480 -0.000 0.000 0.281 332 M C -1.040 175.261 176.300 0.002 0.000 1.076 332 M CA 0.484 55.864 55.300 0.134 0.000 1.083 332 M CB 0.736 33.301 32.600 -0.059 0.000 1.933 332 M HN 0.430 nan 8.290 nan 0.000 0.667 333 V N 1.934 121.882 119.914 0.057 0.000 2.581 333 V HA 0.466 4.586 4.120 -0.000 0.000 0.303 333 V C -0.349 175.786 176.094 0.069 0.000 1.041 333 V CA -0.908 61.421 62.300 0.047 0.000 0.907 333 V CB 1.730 33.637 31.823 0.141 0.000 0.994 333 V HN -0.009 nan 8.190 nan 0.000 0.442 334 V N 2.864 122.793 119.914 0.025 0.000 2.383 334 V HA 0.266 4.386 4.120 -0.000 0.000 0.275 334 V C 0.948 177.050 176.094 0.013 0.000 1.036 334 V CA -0.187 62.159 62.300 0.078 0.000 0.889 334 V CB 1.474 33.324 31.823 0.046 0.000 0.985 334 V HN 1.052 nan 8.190 nan 0.000 0.459 335 T N 1.246 115.790 114.554 -0.018 0.000 3.843 335 T HA 0.515 4.865 4.350 -0.000 0.000 0.227 335 T C 0.589 175.229 174.700 -0.100 0.000 1.043 335 T CA 0.273 62.082 62.100 -0.485 0.000 1.012 335 T CB -0.735 67.865 68.868 -0.447 0.000 1.279 335 T HN 1.781 nan 8.240 nan 0.000 0.730 336 G N 1.157 110.012 108.800 0.091 0.000 2.879 336 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.686 336 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.686 336 G C 0.081 175.050 174.900 0.115 0.000 1.115 336 G CA -0.523 44.710 45.100 0.222 0.000 0.770 336 G HN 0.542 nan 8.290 nan 0.000 0.601 337 L N 1.377 122.627 121.223 0.044 0.000 2.554 337 L HA 0.235 4.575 4.340 -0.000 0.000 0.226 337 L C 2.234 179.014 176.870 -0.150 0.000 1.137 337 L CA 0.614 55.405 54.840 -0.081 0.000 0.863 337 L CB -0.060 41.981 42.059 -0.030 0.000 0.985 337 L HN 0.802 nan 8.230 nan 0.000 0.451 338 G N 0.537 109.327 108.800 -0.017 0.000 2.734 338 G HA2 0.336 4.296 3.960 -0.000 0.000 0.287 338 G HA3 0.336 4.296 3.960 -0.000 0.000 0.287 338 G C 1.051 175.854 174.900 -0.162 0.000 0.728 338 G CA 0.432 45.591 45.100 0.099 0.000 1.999 338 G HN 0.431 nan 8.290 nan 0.000 0.535 339 G N 0.977 109.566 108.800 -0.352 0.000 2.165 339 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.226 339 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.226 339 G C 0.060 174.430 174.900 -0.884 0.000 1.035 339 G CA -0.034 44.722 45.100 -0.573 0.000 0.744 339 G HN 0.915 nan 8.290 nan 0.000 0.501 340 N N 0.443 118.558 118.700 -0.974 0.000 2.417 340 N HA 0.510 5.250 4.740 -0.000 0.000 0.274 340 N C -0.470 174.773 175.510 -0.445 0.000 0.987 340 N CA -2.215 50.088 53.050 -1.246 0.000 0.912 340 N CB 2.245 39.975 38.487 -1.262 0.000 1.177 340 N HN -0.011 nan 8.380 nan 0.000 0.490 341 P HA -0.185 nan 4.420 nan 0.000 0.216 341 P C 1.412 178.762 177.300 0.083 0.000 1.150 341 P CA 1.276 64.358 63.100 -0.030 0.000 0.843 341 P CB 0.240 31.875 31.700 -0.108 0.000 0.787 342 M N -0.569 119.057 119.600 0.044 0.000 2.279 342 M HA -0.082 4.398 4.480 -0.000 0.000 0.264 342 M C 2.281 178.613 176.300 0.053 0.000 1.062 342 M CA 1.365 56.730 55.300 0.108 0.000 1.099 342 M CB -2.030 30.664 32.600 0.157 0.000 1.394 342 M HN -0.074 nan 8.290 nan 0.000 0.426 343 A N 0.332 123.133 122.820 -0.032 0.000 1.873 343 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 343 A C 2.503 180.070 177.584 -0.028 0.000 1.193 343 A CA 2.310 54.318 52.037 -0.048 0.000 0.629 343 A CB -1.113 17.826 19.000 -0.103 0.000 0.826 343 A HN 0.297 nan 8.150 nan 0.000 0.447 344 V N -0.404 119.512 119.914 0.003 0.000 2.255 344 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 344 V C 2.582 178.673 176.094 -0.006 0.000 1.051 344 V CA 2.105 64.379 62.300 -0.043 0.000 1.018 344 V CB -0.896 30.948 31.823 0.035 0.000 0.641 344 V HN 0.387 nan 8.190 nan 0.000 0.445 345 V N 1.188 121.176 119.914 0.124 0.000 2.453 345 V HA -0.254 3.865 4.120 -0.000 0.000 0.252 345 V C 2.600 178.738 176.094 0.073 0.000 1.068 345 V CA 2.295 64.676 62.300 0.135 0.000 1.070 345 V CB -0.961 30.980 31.823 0.197 0.000 0.664 345 V HN 0.778 nan 8.190 nan 0.000 0.461 346 S N -0.345 115.384 115.700 0.049 0.000 2.428 346 S HA -0.151 4.319 4.470 -0.000 0.000 0.230 346 S C 1.829 176.429 174.600 -0.001 0.000 1.014 346 S CA 0.977 59.193 58.200 0.027 0.000 0.957 346 S CB -0.317 62.892 63.200 0.015 0.000 0.784 346 S HN 0.621 nan 8.310 nan 0.000 0.499 347 K N 0.723 121.104 120.400 -0.031 0.000 2.365 347 K HA 0.160 4.480 4.320 -0.000 0.000 0.197 347 K C 2.139 178.710 176.600 -0.049 0.000 1.042 347 K CA 0.561 56.814 56.287 -0.057 0.000 0.987 347 K CB -0.012 32.420 32.500 -0.113 0.000 0.779 347 K HN 0.451 nan 8.250 nan 0.000 0.484 348 Q N -0.185 119.599 119.800 -0.026 0.000 2.408 348 Q HA 0.096 4.436 4.340 -0.000 0.000 0.205 348 Q C -0.492 175.522 176.000 0.023 0.000 0.919 348 Q CA 0.211 56.014 55.803 0.001 0.000 0.932 348 Q CB 1.099 29.857 28.738 0.032 0.000 1.058 348 Q HN -0.052 nan 8.270 nan 0.000 0.517 349 V N 1.410 121.341 119.914 0.028 0.000 2.760 349 V HA 0.124 4.244 4.120 -0.000 0.000 0.309 349 V C -0.639 175.474 176.094 0.031 0.000 1.077 349 V CA -1.083 61.240 62.300 0.038 0.000 0.910 349 V CB 1.936 33.795 31.823 0.060 0.000 1.008 349 V HN 0.101 nan 8.190 nan 0.000 0.424 350 N N 4.874 123.591 118.700 0.029 0.000 2.598 350 N HA 0.141 4.881 4.740 -0.000 0.000 0.300 350 N C -0.419 175.112 175.510 0.035 0.000 1.224 350 N CA 0.431 53.497 53.050 0.026 0.000 1.125 350 N CB -0.332 38.168 38.487 0.023 0.000 1.468 350 N HN 0.587 nan 8.380 nan 0.000 0.504 351 M N 0.325 119.945 119.600 0.034 0.000 2.478 351 M HA 0.324 4.804 4.480 -0.000 0.000 0.327 351 M C 0.188 176.501 176.300 0.022 0.000 1.187 351 M CA -0.541 54.778 55.300 0.031 0.000 1.022 351 M CB 1.722 34.335 32.600 0.022 0.000 1.629 351 M HN 0.165 nan 8.290 nan 0.000 0.461 352 E N 2.481 122.695 120.200 0.024 0.000 2.149 352 E HA 0.395 4.745 4.350 -0.000 0.000 0.255 352 E C -1.592 175.020 176.600 0.019 0.000 0.888 352 E CA -0.282 56.134 56.400 0.027 0.000 0.742 352 E CB 0.879 30.604 29.700 0.043 0.000 1.164 352 E HN 0.610 nan 8.360 nan 0.000 0.422 353 L N 3.431 124.660 121.223 0.011 0.000 2.261 353 L HA 0.497 4.837 4.340 -0.000 0.000 0.289 353 L C 0.228 177.111 176.870 0.021 0.000 1.059 353 L CA -0.588 54.255 54.840 0.005 0.000 0.816 353 L CB 1.102 43.161 42.059 0.001 0.000 1.191 353 L HN 0.474 nan 8.230 nan 0.000 0.431 354 A N 4.739 127.573 122.820 0.023 0.000 2.304 354 A HA 0.537 4.857 4.320 -0.000 0.000 0.301 354 A C -0.151 177.461 177.584 0.047 0.000 1.132 354 A CA -0.669 51.389 52.037 0.035 0.000 0.819 354 A CB 0.669 19.689 19.000 0.034 0.000 1.094 354 A HN 0.699 nan 8.150 nan 0.000 0.492 355 K N 1.132 121.567 120.400 0.059 0.000 2.185 355 K HA 0.452 4.772 4.320 -0.000 0.000 0.271 355 K C -0.906 175.748 176.600 0.090 0.000 1.013 355 K CA 0.090 56.425 56.287 0.080 0.000 0.943 355 K CB 1.072 33.617 32.500 0.074 0.000 0.998 355 K HN 0.580 nan 8.250 nan 0.000 0.468 356 I N 2.933 123.575 120.570 0.119 0.000 2.331 356 I HA 0.105 4.275 4.170 -0.000 0.000 0.292 356 I C 0.036 176.208 176.117 0.092 0.000 0.998 356 I CA -0.573 60.802 61.300 0.125 0.000 1.267 356 I CB 1.059 39.174 38.000 0.191 0.000 1.386 356 I HN 0.341 nan 8.210 nan 0.000 0.476 357 K N 6.054 126.498 120.400 0.074 0.000 2.276 357 K HA 0.147 4.467 4.320 -0.000 0.000 0.283 357 K C 0.601 177.224 176.600 0.038 0.000 1.044 357 K CA -0.644 55.676 56.287 0.056 0.000 0.944 357 K CB 1.047 33.582 32.500 0.058 0.000 1.012 357 K HN 0.477 nan 8.250 nan 0.000 0.472 358 Q N 1.535 121.353 119.800 0.029 0.000 2.364 358 Q HA -0.109 4.231 4.340 -0.000 0.000 0.209 358 Q C 0.143 176.149 176.000 0.010 0.000 0.977 358 Q CA 1.015 56.827 55.803 0.015 0.000 0.885 358 Q CB -0.012 28.736 28.738 0.016 0.000 0.941 358 Q HN 0.416 nan 8.270 nan 0.000 0.464 359 K N 0.268 120.679 120.400 0.019 0.000 2.412 359 K HA 0.037 4.357 4.320 -0.000 0.000 0.281 359 K C -0.941 175.669 176.600 0.016 0.000 1.027 359 K CA 0.093 56.391 56.287 0.018 0.000 0.989 359 K CB 0.472 32.990 32.500 0.030 0.000 0.935 359 K HN 0.034 nan 8.250 nan 0.000 0.475 360 C N 8.258 127.557 119.300 -0.003 0.000 3.123 360 C HA 0.363 4.822 4.460 -0.000 0.000 0.284 360 C C -2.523 172.425 174.990 -0.070 0.000 1.076 360 C CA -1.919 57.092 59.018 -0.013 0.000 1.416 360 C CB 0.100 27.819 27.740 -0.036 0.000 1.841 360 C HN 0.718 nan 8.230 nan 0.000 0.501 361 P HA 0.258 nan 4.420 nan 0.000 0.271 361 P C -0.545 176.601 177.300 -0.255 0.000 1.216 361 P CA 0.371 63.358 63.100 -0.190 0.000 0.776 361 P CB 0.798 32.395 31.700 -0.172 0.000 0.881 362 L N 2.642 123.568 121.223 -0.496 0.000 2.416 362 L HA 0.454 4.794 4.340 -0.000 0.000 0.263 362 L C -0.202 176.293 176.870 -0.626 0.000 1.065 362 L CA -0.825 53.727 54.840 -0.479 0.000 0.798 362 L CB 0.557 42.230 42.059 -0.644 0.000 1.267 362 L HN 0.351 nan 8.230 nan 0.000 0.467 363 Y N -0.650 119.527 120.300 -0.206 0.000 2.477 363 Y HA 0.175 4.725 4.550 -0.000 0.000 0.332 363 Y C -0.149 175.665 175.900 -0.143 0.000 1.151 363 Y CA -0.740 57.264 58.100 -0.160 0.000 1.349 363 Y CB 0.738 39.114 38.460 -0.140 0.000 1.108 363 Y HN 0.536 nan 8.280 nan 0.000 0.567 364 E N 0.798 120.956 120.200 -0.070 0.000 2.521 364 E HA -0.013 4.337 4.350 -0.000 0.000 0.269 364 E C 1.262 177.838 176.600 -0.040 0.000 1.182 364 E CA 0.633 56.979 56.400 -0.089 0.000 1.053 364 E CB 0.614 30.266 29.700 -0.081 0.000 1.013 364 E HN 0.705 nan 8.360 nan 0.000 0.470 365 A N 2.460 125.247 122.820 -0.055 0.000 1.903 365 A HA -0.362 3.958 4.320 -0.000 0.000 0.219 365 A C 1.844 179.467 177.584 0.065 0.000 1.191 365 A CA 2.492 54.549 52.037 0.034 0.000 0.638 365 A CB -1.144 17.879 19.000 0.038 0.000 0.823 365 A HN 0.828 nan 8.150 nan 0.000 0.451 366 N N -0.457 118.258 118.700 0.026 0.000 2.096 366 N HA -0.026 4.714 4.740 -0.000 0.000 0.195 366 N C 1.258 176.779 175.510 0.018 0.000 1.017 366 N CA 3.102 56.163 53.050 0.017 0.000 0.870 366 N CB -1.127 37.359 38.487 -0.002 0.000 1.024 366 N HN 1.363 nan 8.380 nan 0.000 0.434 367 G N -1.993 106.823 108.800 0.027 0.000 2.227 367 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.168 367 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.168 367 G C -0.574 174.335 174.900 0.014 0.000 1.006 367 G CA 0.042 45.145 45.100 0.005 0.000 0.684 367 G HN 0.557 nan 8.290 nan 0.000 0.489 368 Q N 0.152 119.969 119.800 0.027 0.000 2.342 368 Q HA 0.734 5.074 4.340 -0.000 0.000 0.267 368 Q C 0.498 176.475 176.000 -0.039 0.000 1.038 368 Q CA -0.290 55.520 55.803 0.012 0.000 0.832 368 Q CB 2.130 30.850 28.738 -0.030 0.000 1.323 368 Q HN 0.759 nan 8.270 nan 0.000 0.448 369 A N 1.561 124.296 122.820 -0.141 0.000 2.586 369 A HA 0.106 4.426 4.320 -0.000 0.000 0.231 369 A C 0.093 177.503 177.584 -0.290 0.000 1.055 369 A CA -0.173 51.610 52.037 -0.424 0.000 0.756 369 A CB 0.134 18.881 19.000 -0.423 0.000 0.988 369 A HN 0.513 nan 8.150 nan 0.000 0.509 370 V N 4.091 123.800 119.914 -0.342 0.000 2.775 370 V HA 0.303 4.423 4.120 -0.000 0.000 0.299 370 V C -1.768 174.196 176.094 -0.218 0.000 1.062 370 V CA -0.762 61.393 62.300 -0.241 0.000 1.063 370 V CB 0.868 32.540 31.823 -0.252 0.000 0.994 370 V HN 0.898 nan 8.190 nan 0.000 0.483 371 P HA 0.356 nan 4.420 nan 0.000 0.286 371 P C 0.336 177.568 177.300 -0.114 0.000 1.261 371 P CA -0.804 62.220 63.100 -0.127 0.000 0.821 371 P CB 0.740 32.383 31.700 -0.095 0.000 1.013 372 K N 0.810 121.149 120.400 -0.101 0.000 2.189 372 K HA -0.220 4.100 4.320 -0.000 0.000 0.207 372 K C 1.473 178.031 176.600 -0.069 0.000 1.046 372 K CA 1.306 57.543 56.287 -0.083 0.000 0.928 372 K CB -0.111 32.349 32.500 -0.067 0.000 0.720 372 K HN 0.482 nan 8.250 nan 0.000 0.458 373 E N 1.342 121.503 120.200 -0.065 0.000 2.007 373 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 373 E C 2.054 178.620 176.600 -0.056 0.000 0.999 373 E CA 1.112 57.479 56.400 -0.054 0.000 0.811 373 E CB 0.008 29.677 29.700 -0.051 0.000 0.762 373 E HN 0.200 nan 8.360 nan 0.000 0.450 374 K N 0.786 121.146 120.400 -0.066 0.000 1.978 374 K HA -0.168 4.152 4.320 -0.000 0.000 0.214 374 K C 1.908 178.468 176.600 -0.067 0.000 1.049 374 K CA 1.076 57.322 56.287 -0.068 0.000 0.939 374 K CB -0.695 31.757 32.500 -0.081 0.000 0.721 374 K HN 0.100 nan 8.250 nan 0.000 0.441 375 D N 1.149 121.497 120.400 -0.086 0.000 2.412 375 D HA -0.234 4.406 4.640 -0.000 0.000 0.191 375 D C 1.658 177.932 176.300 -0.044 0.000 1.019 375 D CA 1.796 55.745 54.000 -0.085 0.000 0.866 375 D CB -0.024 40.707 40.800 -0.115 0.000 0.966 375 D HN 0.324 nan 8.370 nan 0.000 0.459 376 E N -1.097 119.076 120.200 -0.045 0.000 2.274 376 E HA -0.062 4.288 4.350 -0.000 0.000 0.194 376 E C 2.262 178.844 176.600 -0.029 0.000 0.996 376 E CA 0.353 56.734 56.400 -0.031 0.000 0.840 376 E CB 0.005 29.687 29.700 -0.031 0.000 0.772 376 E HN 0.405 nan 8.360 nan 0.000 0.491 377 M N -0.084 119.495 119.600 -0.035 0.000 2.447 377 M HA -0.070 4.410 4.480 -0.000 0.000 0.264 377 M C 1.947 178.226 176.300 -0.034 0.000 1.095 377 M CA 0.637 55.917 55.300 -0.034 0.000 1.125 377 M CB 0.519 33.096 32.600 -0.038 0.000 1.389 377 M HN 0.001 nan 8.290 nan 0.000 0.459 378 V N -0.756 119.136 119.914 -0.036 0.000 2.426 378 V HA -0.130 3.990 4.120 -0.000 0.000 0.242 378 V C 1.997 178.059 176.094 -0.053 0.000 1.036 378 V CA 1.573 63.854 62.300 -0.033 0.000 1.044 378 V CB -0.830 30.985 31.823 -0.013 0.000 0.688 378 V HN 0.412 nan 8.190 nan 0.000 0.462 379 E N 0.637 120.780 120.200 -0.094 0.000 2.070 379 E HA -0.344 4.006 4.350 -0.000 0.000 0.197 379 E C 2.319 178.883 176.600 -0.059 0.000 1.004 379 E CA 2.112 58.383 56.400 -0.215 0.000 0.805 379 E CB -0.237 29.413 29.700 -0.083 0.000 0.744 379 E HN 0.634 nan 8.360 nan 0.000 0.451 380 Q N -0.373 119.408 119.800 -0.032 0.000 2.226 380 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 380 Q C 1.774 177.771 176.000 -0.006 0.000 0.975 380 Q CA 1.625 57.417 55.803 -0.020 0.000 0.866 380 Q CB 0.046 28.774 28.738 -0.016 0.000 0.915 380 Q HN 0.170 nan 8.270 nan 0.000 0.440 381 E N -0.388 119.821 120.200 0.016 0.000 2.170 381 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 381 E C 1.394 178.055 176.600 0.103 0.000 0.981 381 E CA 0.537 56.970 56.400 0.055 0.000 0.830 381 E CB -0.334 29.392 29.700 0.043 0.000 0.775 381 E HN 0.380 nan 8.360 nan 0.000 0.470 382 F N 1.648 121.541 119.950 -0.095 0.000 2.046 382 F HA -0.177 4.350 4.527 -0.000 0.000 0.297 382 F C 1.702 177.494 175.800 -0.013 0.000 1.123 382 F CA 1.874 59.807 58.000 -0.111 0.000 1.199 382 F CB -0.792 38.018 39.000 -0.317 0.000 0.972 382 F HN 0.032 nan 8.300 nan 0.000 0.474 383 N N 0.713 119.158 118.700 -0.425 0.000 2.205 383 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 383 N C 2.053 177.458 175.510 -0.176 0.000 1.015 383 N CA 1.238 54.039 53.050 -0.416 0.000 0.862 383 N CB -0.402 37.941 38.487 -0.240 0.000 0.986 383 N HN 0.433 nan 8.380 nan 0.000 0.429 384 R N 0.594 121.047 120.500 -0.078 0.000 2.073 384 R HA 0.016 4.356 4.340 -0.000 0.000 0.234 384 R C 2.308 178.616 176.300 0.014 0.000 1.134 384 R CA 0.832 56.921 56.100 -0.019 0.000 0.952 384 R CB -0.305 30.003 30.300 0.012 0.000 0.850 384 R HN 0.162 nan 8.270 nan 0.000 0.433 385 L N 0.543 121.802 121.223 0.060 0.000 2.131 385 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 385 L C 2.318 179.255 176.870 0.111 0.000 1.092 385 L CA 0.972 55.888 54.840 0.127 0.000 0.759 385 L CB -0.315 41.898 42.059 0.256 0.000 0.903 385 L HN 0.215 nan 8.230 nan 0.000 0.435 386 L N -0.436 120.801 121.223 0.023 0.000 1.948 386 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 386 L C 2.547 179.475 176.870 0.097 0.000 1.074 386 L CA 1.506 56.380 54.840 0.056 0.000 0.753 386 L CB -0.412 41.619 42.059 -0.047 0.000 0.888 386 L HN 0.230 nan 8.230 nan 0.000 0.432 387 E N -0.412 119.816 120.200 0.046 0.000 2.200 387 E HA -0.356 3.994 4.350 -0.000 0.000 0.211 387 E C 2.052 178.724 176.600 0.121 0.000 1.048 387 E CA 1.710 58.151 56.400 0.069 0.000 0.851 387 E CB -0.197 29.515 29.700 0.020 0.000 0.747 387 E HN 0.566 nan 8.360 nan 0.000 0.462 388 A N 0.340 123.221 122.820 0.102 0.000 1.883 388 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 388 A C 2.430 180.139 177.584 0.209 0.000 1.186 388 A CA 2.504 54.618 52.037 0.127 0.000 0.624 388 A CB -1.209 17.841 19.000 0.084 0.000 0.822 388 A HN 0.461 nan 8.150 nan 0.000 0.444 389 T N -2.237 112.431 114.554 0.190 0.000 2.708 389 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 389 T C 2.120 176.951 174.700 0.218 0.000 1.037 389 T CA 1.851 64.071 62.100 0.201 0.000 1.146 389 T CB -0.832 68.149 68.868 0.188 0.000 0.865 389 T HN 0.467 nan 8.240 nan 0.000 0.435 390 S N 0.717 116.562 115.700 0.242 0.000 2.370 390 S HA -0.211 4.259 4.470 -0.000 0.000 0.226 390 S C 1.901 176.680 174.600 0.299 0.000 1.033 390 S CA 1.319 59.689 58.200 0.282 0.000 1.011 390 S CB -0.853 62.499 63.200 0.254 0.000 0.852 390 S HN 0.666 nan 8.310 nan 0.000 0.457 391 Y N 1.134 121.517 120.300 0.138 0.000 2.293 391 Y HA 0.019 4.569 4.550 0.000 0.000 0.291 391 Y C 1.787 177.747 175.900 0.101 0.000 1.137 391 Y CA 1.293 59.458 58.100 0.108 0.000 1.202 391 Y CB -0.384 38.112 38.460 0.060 0.000 0.990 391 Y HN 0.264 nan 8.280 nan 0.000 0.537 392 L N -0.458 120.848 121.223 0.138 0.000 2.131 392 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 392 L C 2.857 179.741 176.870 0.023 0.000 1.092 392 L CA 2.008 56.892 54.840 0.073 0.000 0.759 392 L CB -1.092 41.108 42.059 0.234 0.000 0.903 392 L HN 0.331 nan 8.230 nan 0.000 0.435 393 S N -1.498 114.197 115.700 -0.009 0.000 2.336 393 S HA -0.149 4.321 4.470 -0.000 0.000 0.216 393 S C 2.014 176.453 174.600 -0.269 0.000 1.032 393 S CA 1.053 59.151 58.200 -0.171 0.000 0.973 393 S CB -0.177 62.833 63.200 -0.318 0.000 0.888 393 S HN 0.573 nan 8.310 nan 0.000 0.455 394 H N 0.326 119.354 119.070 -0.070 0.000 2.343 394 H HA 0.194 4.750 4.556 -0.000 0.000 0.303 394 H C 2.601 177.851 175.328 -0.130 0.000 1.068 394 H CA 1.404 57.402 56.048 -0.083 0.000 1.359 394 H CB -0.056 29.671 29.762 -0.058 0.000 1.402 394 H HN 0.272 nan 8.280 nan 0.000 0.515 395 Q N 0.466 120.182 119.800 -0.140 0.000 2.008 395 Q HA 0.028 4.368 4.340 -0.000 0.000 0.196 395 Q C 2.305 178.137 176.000 -0.280 0.000 0.973 395 Q CA 0.962 56.582 55.803 -0.305 0.000 0.826 395 Q CB -0.147 28.128 28.738 -0.771 0.000 0.894 395 Q HN 0.448 nan 8.270 nan 0.000 0.439 396 L N 0.423 121.448 121.223 -0.330 0.000 2.509 396 L HA 0.014 4.354 4.340 -0.000 0.000 0.222 396 L C 0.362 177.206 176.870 -0.043 0.000 1.123 396 L CA 0.194 54.933 54.840 -0.168 0.000 0.856 396 L CB 0.038 42.009 42.059 -0.148 0.000 0.985 396 L HN 0.243 nan 8.230 nan 0.000 0.456 397 D N -0.329 120.044 120.400 -0.045 0.000 3.076 397 D HA -0.268 4.372 4.640 -0.000 0.000 0.218 397 D C 0.106 176.437 176.300 0.052 0.000 1.156 397 D CA 0.407 54.396 54.000 -0.018 0.000 0.921 397 D CB -1.126 39.666 40.800 -0.014 0.000 1.113 397 D HN 0.173 nan 8.370 nan 0.000 0.418 398 F N 1.605 121.502 119.950 -0.087 0.000 2.604 398 F HA 0.227 4.754 4.527 -0.000 0.000 0.337 398 F C 1.026 176.790 175.800 -0.060 0.000 1.294 398 F CA 0.300 58.265 58.000 -0.058 0.000 1.066 398 F CB -0.242 38.732 39.000 -0.044 0.000 1.391 398 F HN -0.089 nan 8.300 nan 0.000 0.652 399 N N 2.923 121.476 118.700 -0.245 0.000 2.129 399 N HA 0.116 4.856 4.740 -0.000 0.000 0.222 399 N C -1.053 174.312 175.510 -0.241 0.000 1.303 399 N CA 0.267 53.155 53.050 -0.269 0.000 0.897 399 N CB 1.317 39.708 38.487 -0.159 0.000 1.093 399 N HN 0.214 nan 8.380 nan 0.000 0.501 400 V N 1.974 121.762 119.914 -0.211 0.000 2.588 400 V HA 0.477 4.597 4.120 -0.000 0.000 0.304 400 V C -1.035 174.974 176.094 -0.143 0.000 1.042 400 V CA -0.759 61.455 62.300 -0.143 0.000 0.877 400 V CB 2.724 34.510 31.823 -0.061 0.000 0.996 400 V HN -0.092 nan 8.190 nan 0.000 0.425 401 L N 5.108 126.259 121.223 -0.121 0.000 2.401 401 L HA 0.541 4.881 4.340 -0.000 0.000 0.263 401 L C 0.241 177.103 176.870 -0.014 0.000 1.004 401 L CA -0.209 54.599 54.840 -0.053 0.000 0.881 401 L CB 0.318 42.331 42.059 -0.078 0.000 1.219 401 L HN 0.843 nan 8.230 nan 0.000 0.441 402 N N 3.253 121.959 118.700 0.009 0.000 2.738 402 N HA -0.285 4.455 4.740 -0.000 0.000 0.249 402 N C 0.296 175.805 175.510 -0.002 0.000 1.047 402 N CA 0.656 53.711 53.050 0.009 0.000 0.707 402 N CB -1.180 37.315 38.487 0.013 0.000 0.937 402 N HN 0.751 nan 8.380 nan 0.000 0.545 403 N N -2.666 116.029 118.700 -0.008 0.000 2.967 403 N HA -0.173 4.567 4.740 -0.000 0.000 0.212 403 N C -1.020 174.479 175.510 -0.018 0.000 0.884 403 N CA 1.775 54.818 53.050 -0.011 0.000 1.030 403 N CB -0.486 37.999 38.487 -0.004 0.000 1.018 403 N HN 0.598 nan 8.380 nan 0.000 0.596 404 K N 1.432 121.816 120.400 -0.026 0.000 2.156 404 K HA 0.386 4.706 4.320 -0.000 0.000 0.271 404 K C -2.515 174.051 176.600 -0.056 0.000 0.995 404 K CA -1.602 54.666 56.287 -0.031 0.000 0.890 404 K CB 1.089 33.574 32.500 -0.025 0.000 1.073 404 K HN 0.015 nan 8.250 nan 0.000 0.454 405 P HA -0.030 nan 4.420 nan 0.000 0.266 405 P C -0.165 177.078 177.300 -0.095 0.000 1.195 405 P CA -0.178 62.885 63.100 -0.062 0.000 0.768 405 P CB 0.457 32.148 31.700 -0.015 0.000 0.838 406 V N 3.278 123.092 119.914 -0.166 0.000 2.488 406 V HA 0.114 4.234 4.120 -0.000 0.000 0.277 406 V C 1.298 177.318 176.094 -0.124 0.000 1.046 406 V CA -0.023 62.145 62.300 -0.220 0.000 0.986 406 V CB 0.547 32.098 31.823 -0.453 0.000 0.989 406 V HN 0.735 nan 8.190 nan 0.000 0.475 407 S N 4.880 120.528 115.700 -0.088 0.000 2.632 407 S HA 0.320 4.790 4.470 -0.000 0.000 0.267 407 S C 0.856 175.417 174.600 -0.064 0.000 1.276 407 S CA -0.516 57.652 58.200 -0.054 0.000 0.998 407 S CB 1.224 64.392 63.200 -0.055 0.000 0.953 407 S HN 0.554 nan 8.310 nan 0.000 0.547 408 L N 2.904 124.085 121.223 -0.070 0.000 2.012 408 L HA 0.134 4.474 4.340 -0.000 0.000 0.210 408 L C 2.409 179.190 176.870 -0.149 0.000 1.073 408 L CA 2.567 57.339 54.840 -0.114 0.000 0.748 408 L CB -1.612 40.283 42.059 -0.272 0.000 0.891 408 L HN 1.012 nan 8.230 nan 0.000 0.431 409 G N -1.293 107.396 108.800 -0.184 0.000 2.631 409 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.219 409 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.219 409 G C 1.469 176.286 174.900 -0.140 0.000 1.214 409 G CA 1.047 46.023 45.100 -0.207 0.000 0.785 409 G HN 0.541 nan 8.290 nan 0.000 0.596 410 Q N 0.032 119.784 119.800 -0.080 0.000 2.045 410 Q HA -0.168 4.172 4.340 -0.000 0.000 0.206 410 Q C 3.095 179.115 176.000 0.035 0.000 0.991 410 Q CA 1.653 57.443 55.803 -0.021 0.000 0.851 410 Q CB -0.385 28.343 28.738 -0.016 0.000 0.911 410 Q HN 0.493 nan 8.270 nan 0.000 0.418 411 A N 0.701 123.549 122.820 0.046 0.000 1.892 411 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 411 A C 2.073 179.714 177.584 0.095 0.000 1.188 411 A CA 1.462 53.582 52.037 0.138 0.000 0.631 411 A CB -0.895 18.174 19.000 0.115 0.000 0.822 411 A HN 0.359 nan 8.150 nan 0.000 0.447 412 L N -1.058 120.173 121.223 0.013 0.000 2.043 412 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 412 L C 2.665 179.554 176.870 0.032 0.000 1.075 412 L CA 1.974 56.821 54.840 0.010 0.000 0.752 412 L CB -0.508 41.458 42.059 -0.155 0.000 0.891 412 L HN 0.531 nan 8.230 nan 0.000 0.432 413 E N -0.363 119.835 120.200 -0.002 0.000 2.023 413 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 413 E C 2.227 178.855 176.600 0.047 0.000 1.003 413 E CA 1.701 58.115 56.400 0.023 0.000 0.809 413 E CB -0.027 29.678 29.700 0.009 0.000 0.755 413 E HN 0.209 nan 8.360 nan 0.000 0.449 414 V N 0.488 120.440 119.914 0.064 0.000 2.453 414 V HA -0.275 3.845 4.120 -0.000 0.000 0.252 414 V C 2.252 178.353 176.094 0.013 0.000 1.068 414 V CA 1.411 63.738 62.300 0.044 0.000 1.070 414 V CB -0.383 31.488 31.823 0.080 0.000 0.664 414 V HN 0.191 nan 8.190 nan 0.000 0.461 415 V N -0.461 119.479 119.914 0.043 0.000 2.323 415 V HA -0.208 3.912 4.120 -0.000 0.000 0.244 415 V C 2.160 178.250 176.094 -0.006 0.000 1.041 415 V CA 2.070 64.386 62.300 0.027 0.000 1.025 415 V CB -0.336 31.532 31.823 0.076 0.000 0.656 415 V HN 0.427 nan 8.190 nan 0.000 0.451 416 I N -0.409 120.191 120.570 0.049 0.000 2.208 416 I HA -0.347 3.823 4.170 -0.000 0.000 0.245 416 I C 2.624 178.720 176.117 -0.035 0.000 1.097 416 I CA 1.698 63.033 61.300 0.058 0.000 1.363 416 I CB -0.436 37.674 38.000 0.184 0.000 1.051 416 I HN 0.405 nan 8.210 nan 0.000 0.413 417 Q N 0.495 120.293 119.800 -0.003 0.000 1.975 417 Q HA -0.228 4.112 4.340 -0.000 0.000 0.205 417 Q C 2.210 178.173 176.000 -0.062 0.000 0.990 417 Q CA 1.622 57.416 55.803 -0.015 0.000 0.845 417 Q CB -0.286 28.453 28.738 0.003 0.000 0.913 417 Q HN 0.290 nan 8.270 nan 0.000 0.420 418 L N 0.829 122.012 121.223 -0.066 0.000 2.357 418 L HA -0.261 4.079 4.340 -0.000 0.000 0.220 418 L C 2.217 179.012 176.870 -0.126 0.000 1.123 418 L CA 1.508 56.303 54.840 -0.076 0.000 0.782 418 L CB -0.408 41.608 42.059 -0.072 0.000 0.910 418 L HN 0.251 nan 8.230 nan 0.000 0.442 419 Q N -0.977 118.668 119.800 -0.258 0.000 2.123 419 Q HA -0.088 4.252 4.340 -0.000 0.000 0.196 419 Q C 2.203 177.940 176.000 -0.438 0.000 0.958 419 Q CA 0.893 56.398 55.803 -0.496 0.000 0.841 419 Q CB -0.097 28.010 28.738 -1.052 0.000 0.915 419 Q HN 0.541 nan 8.270 nan 0.000 0.455 420 E N 0.945 120.950 120.200 -0.325 0.000 2.085 420 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 420 E C 1.969 178.571 176.600 0.003 0.000 0.994 420 E CA 1.002 57.372 56.400 -0.051 0.000 0.801 420 E CB 0.082 29.809 29.700 0.045 0.000 0.743 420 E HN 0.134 nan 8.360 nan 0.000 0.453 421 K N 0.393 120.787 120.400 -0.011 0.000 2.002 421 K HA -0.251 4.069 4.320 -0.000 0.000 0.209 421 K C 2.201 178.821 176.600 0.033 0.000 1.048 421 K CA 1.976 58.271 56.287 0.013 0.000 0.930 421 K CB -0.327 32.177 32.500 0.006 0.000 0.714 421 K HN 0.243 nan 8.250 nan 0.000 0.438 422 H N 0.282 119.318 119.070 -0.058 0.000 2.387 422 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 422 H C 1.913 177.232 175.328 -0.014 0.000 1.099 422 H CA 1.793 57.817 56.048 -0.040 0.000 1.315 422 H CB -0.095 29.631 29.762 -0.060 0.000 1.380 422 H HN 0.010 nan 8.280 nan 0.000 0.513 423 V N 0.922 120.863 119.914 0.045 0.000 2.324 423 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 423 V C 2.266 178.328 176.094 -0.053 0.000 1.060 423 V CA 2.480 64.790 62.300 0.015 0.000 1.042 423 V CB -0.388 31.523 31.823 0.146 0.000 0.650 423 V HN 0.522 nan 8.190 nan 0.000 0.450 424 K N -0.575 119.815 120.400 -0.017 0.000 2.007 424 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 424 K C 1.878 178.462 176.600 -0.026 0.000 1.047 424 K CA 1.562 57.851 56.287 0.004 0.000 0.937 424 K CB -0.444 32.072 32.500 0.026 0.000 0.718 424 K HN 0.471 nan 8.250 nan 0.000 0.438 425 D N 1.127 121.490 120.400 -0.061 0.000 2.220 425 D HA -0.211 4.429 4.640 -0.000 0.000 0.198 425 D C 1.749 177.989 176.300 -0.100 0.000 1.001 425 D CA 1.255 55.214 54.000 -0.068 0.000 0.875 425 D CB 0.014 40.770 40.800 -0.073 0.000 0.921 425 D HN 0.313 nan 8.370 nan 0.000 0.454 426 E N 0.551 120.629 120.200 -0.203 0.000 2.051 426 E HA -0.101 4.249 4.350 -0.000 0.000 0.189 426 E C 2.195 178.762 176.600 -0.055 0.000 0.979 426 E CA 0.297 56.588 56.400 -0.181 0.000 0.803 426 E CB -0.093 29.420 29.700 -0.312 0.000 0.761 426 E HN 0.348 nan 8.360 nan 0.000 0.451 427 Q N 0.656 120.449 119.800 -0.011 0.000 2.077 427 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 427 Q C 2.305 178.461 176.000 0.260 0.000 0.989 427 Q CA 1.420 57.297 55.803 0.122 0.000 0.853 427 Q CB -0.137 28.722 28.738 0.201 0.000 0.907 427 Q HN 0.282 nan 8.270 nan 0.000 0.418 428 I N 0.538 121.214 120.570 0.177 0.000 2.099 428 I HA -0.351 3.819 4.170 -0.000 0.000 0.239 428 I C 2.428 178.634 176.117 0.148 0.000 1.066 428 I CA 1.905 63.309 61.300 0.173 0.000 1.324 428 I CB -0.503 37.550 38.000 0.088 0.000 1.037 428 I HN 0.366 nan 8.210 nan 0.000 0.401 429 E N 0.448 120.694 120.200 0.077 0.000 2.118 429 E HA -0.332 4.018 4.350 -0.000 0.000 0.195 429 E C 2.168 178.797 176.600 0.049 0.000 0.992 429 E CA 1.793 58.222 56.400 0.050 0.000 0.804 429 E CB -0.699 29.011 29.700 0.018 0.000 0.741 429 E HN 0.588 nan 8.360 nan 0.000 0.458 430 H N -0.159 118.868 119.070 -0.072 0.000 2.357 430 H HA -0.116 4.440 4.556 -0.000 0.000 0.301 430 H C 1.160 176.386 175.328 -0.169 0.000 1.082 430 H CA 1.679 57.622 56.048 -0.175 0.000 1.342 430 H CB -0.466 29.106 29.762 -0.315 0.000 1.389 430 H HN 0.384 nan 8.280 nan 0.000 0.511 431 W N 1.415 122.707 121.300 -0.013 0.000 2.699 431 W HA 0.055 4.715 4.660 -0.000 0.000 0.249 431 W C 2.639 179.102 176.519 -0.094 0.000 1.280 431 W CA 0.004 57.295 57.345 -0.090 0.000 1.345 431 W CB 0.277 29.754 29.460 0.028 0.000 1.128 431 W HN 0.148 nan 8.180 nan 0.000 0.642 432 K N 0.263 120.730 120.400 0.113 0.000 2.314 432 K HA -0.015 4.305 4.320 -0.000 0.000 0.198 432 K C 1.851 178.452 176.600 0.002 0.000 1.045 432 K CA 0.501 56.823 56.287 0.059 0.000 0.988 432 K CB 0.108 32.637 32.500 0.049 0.000 0.783 432 K HN 0.035 nan 8.250 nan 0.000 0.484 433 K N 0.851 121.219 120.400 -0.054 0.000 2.062 433 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 433 K C 1.975 178.522 176.600 -0.087 0.000 1.051 433 K CA 0.832 57.070 56.287 -0.081 0.000 0.941 433 K CB 0.066 32.494 32.500 -0.120 0.000 0.719 433 K HN 0.076 nan 8.250 nan 0.000 0.440 434 I N 1.213 121.706 120.570 -0.128 0.000 2.118 434 I HA -0.309 3.861 4.170 -0.000 0.000 0.241 434 I C 2.438 178.556 176.117 0.002 0.000 1.070 434 I CA 1.628 62.889 61.300 -0.065 0.000 1.327 434 I CB -0.697 37.289 38.000 -0.024 0.000 1.034 434 I HN 0.073 nan 8.210 nan 0.000 0.405 435 V N -0.746 119.185 119.914 0.029 0.000 2.295 435 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 435 V C 2.502 178.599 176.094 0.005 0.000 1.049 435 V CA 1.923 64.237 62.300 0.023 0.000 1.024 435 V CB -1.037 30.802 31.823 0.028 0.000 0.648 435 V HN 0.389 nan 8.190 nan 0.000 0.447 436 K N -0.057 120.343 120.400 -0.001 0.000 2.218 436 K HA -0.198 4.122 4.320 -0.000 0.000 0.205 436 K C 2.088 178.681 176.600 -0.012 0.000 1.046 436 K CA 2.146 58.429 56.287 -0.007 0.000 0.933 436 K CB -0.292 32.202 32.500 -0.009 0.000 0.728 436 K HN 0.662 nan 8.250 nan 0.000 0.454 437 T N 0.215 114.759 114.554 -0.016 0.000 2.815 437 T HA -0.104 4.246 4.350 -0.000 0.000 0.244 437 T C 1.521 176.213 174.700 -0.013 0.000 1.040 437 T CA 0.877 62.966 62.100 -0.019 0.000 1.176 437 T CB -0.182 68.668 68.868 -0.029 0.000 0.880 437 T HN 0.263 nan 8.240 nan 0.000 0.414 438 Q N 0.852 120.648 119.800 -0.008 0.000 2.480 438 Q HA -0.183 4.157 4.340 -0.000 0.000 0.217 438 Q C 1.657 177.655 176.000 -0.003 0.000 0.993 438 Q CA 1.489 57.292 55.803 -0.001 0.000 0.908 438 Q CB -0.065 28.679 28.738 0.011 0.000 0.927 438 Q HN 0.553 nan 8.270 nan 0.000 0.471 439 E N -1.433 118.764 120.200 -0.005 0.000 2.447 439 E HA -0.019 4.331 4.350 -0.000 0.000 0.204 439 E C 1.128 177.723 176.600 -0.009 0.000 0.977 439 E CA 0.038 56.434 56.400 -0.006 0.000 0.950 439 E CB 0.293 29.991 29.700 -0.004 0.000 0.975 439 E HN 0.410 nan 8.360 nan 0.000 0.496 440 E N 0.336 120.529 120.200 -0.012 0.000 2.072 440 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 440 E C 1.949 178.538 176.600 -0.019 0.000 0.982 440 E CA 0.581 56.972 56.400 -0.016 0.000 0.803 440 E CB 0.088 29.778 29.700 -0.018 0.000 0.755 440 E HN 0.135 nan 8.360 nan 0.000 0.453 441 L N 1.926 123.138 121.223 -0.018 0.000 2.013 441 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 441 L C 2.252 179.111 176.870 -0.019 0.000 1.073 441 L CA 1.885 56.713 54.840 -0.021 0.000 0.753 441 L CB -0.334 41.715 42.059 -0.017 0.000 0.890 441 L HN -0.026 nan 8.230 nan 0.000 0.432 442 K N -0.453 119.939 120.400 -0.013 0.000 1.987 442 K HA -0.264 4.056 4.320 -0.000 0.000 0.216 442 K C 2.029 178.622 176.600 -0.012 0.000 1.051 442 K CA 2.209 58.490 56.287 -0.010 0.000 0.942 442 K CB -0.315 32.181 32.500 -0.006 0.000 0.722 442 K HN 0.432 nan 8.250 nan 0.000 0.444 443 E N 0.375 120.568 120.200 -0.012 0.000 2.187 443 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 443 E C 2.033 178.623 176.600 -0.017 0.000 1.004 443 E CA 1.276 57.668 56.400 -0.012 0.000 0.813 443 E CB -0.062 29.632 29.700 -0.011 0.000 0.736 443 E HN 0.245 nan 8.360 nan 0.000 0.468 444 L N 0.420 121.628 121.223 -0.025 0.000 2.068 444 L HA -0.097 4.243 4.340 -0.000 0.000 0.204 444 L C 2.096 178.941 176.870 -0.042 0.000 1.076 444 L CA 1.012 55.829 54.840 -0.038 0.000 0.753 444 L CB -0.086 41.943 42.059 -0.049 0.000 0.910 444 L HN 0.107 nan 8.230 nan 0.000 0.439 445 L N -0.173 121.029 121.223 -0.034 0.000 2.081 445 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 445 L C 2.306 179.170 176.870 -0.010 0.000 1.080 445 L CA 1.226 56.050 54.840 -0.026 0.000 0.754 445 L CB -0.968 41.081 42.059 -0.016 0.000 0.893 445 L HN 0.435 nan 8.230 nan 0.000 0.433 446 N N 0.511 119.207 118.700 -0.007 0.000 2.039 446 N HA -0.205 4.535 4.740 -0.000 0.000 0.193 446 N C 1.774 177.288 175.510 0.006 0.000 1.044 446 N CA 1.300 54.351 53.050 0.002 0.000 0.847 446 N CB -0.203 38.284 38.487 0.000 0.000 1.030 446 N HN 0.227 nan 8.380 nan 0.000 0.422 447 K N 0.647 121.045 120.400 -0.002 0.000 2.034 447 K HA -0.125 4.195 4.320 -0.000 0.000 0.214 447 K C 2.191 178.801 176.600 0.017 0.000 1.051 447 K CA 1.599 57.887 56.287 0.002 0.000 0.931 447 K CB -0.135 32.358 32.500 -0.011 0.000 0.715 447 K HN 0.102 nan 8.250 nan 0.000 0.446 448 M N -0.255 119.343 119.600 -0.003 0.000 2.108 448 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 448 M C 2.162 178.532 176.300 0.117 0.000 1.066 448 M CA 1.397 56.711 55.300 0.023 0.000 1.107 448 M CB -0.142 32.402 32.600 -0.095 0.000 1.356 448 M HN 0.084 nan 8.290 nan 0.000 0.406 449 V N 0.860 120.817 119.914 0.071 0.000 2.490 449 V HA -0.252 3.868 4.120 -0.000 0.000 0.250 449 V C 1.644 177.771 176.094 0.056 0.000 1.061 449 V CA 1.677 64.019 62.300 0.070 0.000 1.064 449 V CB -0.661 31.186 31.823 0.041 0.000 0.670 449 V HN 0.479 nan 8.190 nan 0.000 0.461 450 N N -0.617 118.111 118.700 0.046 0.000 2.459 450 N HA -0.039 4.701 4.740 -0.000 0.000 0.181 450 N C 1.317 176.854 175.510 0.045 0.000 1.046 450 N CA 0.675 53.747 53.050 0.036 0.000 0.904 450 N CB -0.000 38.502 38.487 0.026 0.000 0.964 450 N HN 0.324 nan 8.380 nan 0.000 0.444 451 L N 0.993 122.263 121.223 0.078 0.000 2.145 451 L HA 0.120 4.460 4.340 -0.000 0.000 0.201 451 L C 1.991 178.892 176.870 0.052 0.000 1.075 451 L CA 1.271 56.165 54.840 0.090 0.000 0.773 451 L CB -0.410 41.752 42.059 0.171 0.000 0.936 451 L HN -0.067 nan 8.230 nan 0.000 0.451 452 K N -0.581 119.859 120.400 0.067 0.000 2.228 452 K HA -0.265 4.055 4.320 -0.000 0.000 0.205 452 K C 1.860 178.442 176.600 -0.031 0.000 1.045 452 K CA 1.438 57.700 56.287 -0.042 0.000 0.931 452 K CB 0.195 32.688 32.500 -0.012 0.000 0.727 452 K HN 0.216 nan 8.250 nan 0.000 0.458 453 E N 0.707 120.909 120.200 0.003 0.000 2.008 453 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 453 E C 1.658 178.257 176.600 -0.001 0.000 0.986 453 E CA 1.477 57.878 56.400 0.001 0.000 0.807 453 E CB 0.060 29.767 29.700 0.011 0.000 0.766 453 E HN 0.100 nan 8.360 nan 0.000 0.450 454 K N -0.109 120.293 120.400 0.005 0.000 2.218 454 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 454 K C 2.096 178.693 176.600 -0.005 0.000 1.046 454 K CA 1.073 57.363 56.287 0.004 0.000 0.933 454 K CB -0.184 32.321 32.500 0.009 0.000 0.728 454 K HN 0.147 nan 8.250 nan 0.000 0.454 455 I N 0.783 121.338 120.570 -0.025 0.000 2.094 455 I HA -0.311 3.859 4.170 -0.000 0.000 0.234 455 I C 2.443 178.545 176.117 -0.025 0.000 1.063 455 I CA 1.089 62.359 61.300 -0.051 0.000 1.328 455 I CB -0.261 37.668 38.000 -0.119 0.000 1.058 455 I HN 0.110 nan 8.210 nan 0.000 0.400 456 K N 0.730 121.103 120.400 -0.045 0.000 2.056 456 K HA -0.362 3.958 4.320 -0.000 0.000 0.225 456 K C 2.053 178.681 176.600 0.046 0.000 1.053 456 K CA 2.504 58.783 56.287 -0.012 0.000 0.966 456 K CB -0.500 31.986 32.500 -0.022 0.000 0.735 456 K HN 0.375 nan 8.250 nan 0.000 0.455 457 E N 0.265 120.483 120.200 0.029 0.000 2.106 457 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 457 E C 2.236 178.863 176.600 0.046 0.000 0.984 457 E CA 0.567 56.989 56.400 0.036 0.000 0.806 457 E CB 0.005 29.718 29.700 0.022 0.000 0.750 457 E HN 0.330 nan 8.360 nan 0.000 0.458 458 L N 0.257 121.506 121.223 0.042 0.000 2.141 458 L HA -0.189 4.150 4.340 -0.000 0.000 0.209 458 L C 2.465 179.382 176.870 0.078 0.000 1.094 458 L CA 1.553 56.419 54.840 0.042 0.000 0.763 458 L CB -0.526 41.540 42.059 0.013 0.000 0.908 458 L HN 0.313 nan 8.230 nan 0.000 0.437 459 H N -0.673 118.389 119.070 -0.013 0.000 2.372 459 H HA -0.187 4.369 4.556 -0.000 0.000 0.301 459 H C 2.218 177.589 175.328 0.073 0.000 1.065 459 H CA 1.629 57.682 56.048 0.008 0.000 1.364 459 H CB 0.193 29.931 29.762 -0.039 0.000 1.406 459 H HN 0.108 nan 8.280 nan 0.000 0.521 460 Q N 0.959 120.823 119.800 0.107 0.000 1.991 460 Q HA -0.290 4.050 4.340 -0.000 0.000 0.213 460 Q C 2.376 178.373 176.000 -0.004 0.000 1.022 460 Q CA 2.543 58.367 55.803 0.034 0.000 0.877 460 Q CB -0.574 28.192 28.738 0.046 0.000 0.970 460 Q HN 0.682 nan 8.270 nan 0.000 0.414 461 Q N -1.625 118.188 119.800 0.022 0.000 2.096 461 Q HA -0.245 4.095 4.340 -0.000 0.000 0.208 461 Q C 1.998 178.010 176.000 0.020 0.000 0.993 461 Q CA 2.069 57.883 55.803 0.019 0.000 0.862 461 Q CB -0.474 28.282 28.738 0.031 0.000 0.915 461 Q HN 0.626 nan 8.270 nan 0.000 0.416 462 Y N 1.028 121.260 120.300 -0.112 0.000 2.224 462 Y HA -0.237 4.313 4.550 -0.000 0.000 0.289 462 Y C 2.042 177.849 175.900 -0.155 0.000 1.146 462 Y CA 1.523 59.548 58.100 -0.125 0.000 1.182 462 Y CB 0.065 38.444 38.460 -0.134 0.000 0.983 462 Y HN -0.115 nan 8.280 nan 0.000 0.524 463 K N 0.954 121.277 120.400 -0.128 0.000 1.985 463 K HA -0.199 4.121 4.320 -0.000 0.000 0.210 463 K C 2.015 178.504 176.600 -0.186 0.000 1.047 463 K CA 2.125 58.287 56.287 -0.208 0.000 0.932 463 K CB -0.530 31.872 32.500 -0.163 0.000 0.716 463 K HN 0.435 nan 8.250 nan 0.000 0.439 464 E N -1.004 119.127 120.200 -0.114 0.000 2.253 464 E HA -0.254 4.096 4.350 -0.000 0.000 0.202 464 E C 1.337 177.869 176.600 -0.112 0.000 1.014 464 E CA 1.450 57.798 56.400 -0.087 0.000 0.823 464 E CB -0.114 29.556 29.700 -0.051 0.000 0.736 464 E HN 0.434 nan 8.360 nan 0.000 0.478 465 A N -0.688 122.031 122.820 -0.168 0.000 2.220 465 A HA 0.121 4.440 4.320 -0.000 0.000 0.211 465 A C 1.824 179.266 177.584 -0.236 0.000 1.176 465 A CA 0.156 52.091 52.037 -0.169 0.000 0.834 465 A CB 0.479 19.390 19.000 -0.149 0.000 0.868 465 A HN 0.060 nan 8.150 nan 0.000 0.488 466 S N 0.221 115.724 115.700 -0.328 0.000 2.556 466 S HA 0.024 4.494 4.470 -0.000 0.000 0.216 466 S C 1.405 175.904 174.600 -0.168 0.000 0.970 466 S CA 0.046 58.069 58.200 -0.295 0.000 0.912 466 S CB 0.020 62.966 63.200 -0.423 0.000 0.790 466 S HN 0.533 nan 8.310 nan 0.000 0.504 467 E N 1.687 121.805 120.200 -0.136 0.000 2.017 467 E HA -0.054 4.296 4.350 -0.000 0.000 0.193 467 E C 0.838 177.397 176.600 -0.068 0.000 0.997 467 E CA 0.667 57.016 56.400 -0.085 0.000 0.804 467 E CB -0.888 28.771 29.700 -0.068 0.000 0.757 467 E HN 0.273 nan 8.360 nan 0.000 0.448 468 V N 4.200 124.074 119.914 -0.068 0.000 2.691 468 V HA -0.137 3.983 4.120 -0.000 0.000 0.262 468 V C 0.826 176.889 176.094 -0.051 0.000 0.954 468 V CA 0.508 62.778 62.300 -0.051 0.000 1.171 468 V CB -1.092 30.704 31.823 -0.046 0.000 0.957 468 V HN 0.050 nan 8.190 nan 0.000 0.466 469 K N 5.408 125.784 120.400 -0.040 0.000 2.326 469 K HA 0.313 4.633 4.320 -0.000 0.000 0.275 469 K C -1.918 174.666 176.600 -0.027 0.000 1.018 469 K CA -1.461 54.806 56.287 -0.035 0.000 0.962 469 K CB 0.679 33.163 32.500 -0.027 0.000 0.953 469 K HN 0.361 nan 8.250 nan 0.000 0.475 470 P HA 0.203 nan 4.420 nan 0.000 0.272 470 P C -2.216 175.076 177.300 -0.013 0.000 1.240 470 P CA -0.866 62.223 63.100 -0.018 0.000 0.791 470 P CB -0.293 31.397 31.700 -0.017 0.000 0.978 471 P HA 0.499 nan 4.420 nan 0.000 0.283 471 P C -1.022 176.274 177.300 -0.006 0.000 1.278 471 P CA -0.639 62.457 63.100 -0.007 0.000 0.834 471 P CB 1.190 32.887 31.700 -0.005 0.000 1.150 472 R N -0.674 119.825 120.500 -0.002 0.000 2.707 472 R HA 0.449 4.789 4.340 -0.000 0.000 0.272 472 R C -1.021 175.284 176.300 0.008 0.000 1.011 472 R CA -0.919 55.181 56.100 0.001 0.000 0.893 472 R CB 0.666 30.964 30.300 -0.002 0.000 1.233 472 R HN 0.416 nan 8.270 nan 0.000 0.464 473 D N 1.052 121.458 120.400 0.010 0.000 2.361 473 D HA -0.035 4.605 4.640 -0.000 0.000 0.239 473 D C 0.905 177.221 176.300 0.026 0.000 1.200 473 D CA -0.587 53.421 54.000 0.013 0.000 0.915 473 D CB 0.773 41.578 40.800 0.009 0.000 1.170 473 D HN 0.477 nan 8.370 nan 0.000 0.444 474 I N 0.652 121.237 120.570 0.026 0.000 2.286 474 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 474 I C 2.349 178.517 176.117 0.086 0.000 1.115 474 I CA 2.045 63.373 61.300 0.046 0.000 1.392 474 I CB -0.869 37.146 38.000 0.025 0.000 1.065 474 I HN 0.767 nan 8.210 nan 0.000 0.418 475 T N -1.381 113.208 114.554 0.058 0.000 2.803 475 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 475 T C 1.863 176.659 174.700 0.159 0.000 1.052 475 T CA 1.212 63.371 62.100 0.099 0.000 1.136 475 T CB -0.806 68.086 68.868 0.040 0.000 0.864 475 T HN 0.311 nan 8.240 nan 0.000 0.467 476 A N 0.819 123.694 122.820 0.092 0.000 2.123 476 A HA 0.215 4.535 4.320 -0.000 0.000 0.214 476 A C 2.168 179.786 177.584 0.057 0.000 1.152 476 A CA 1.315 53.392 52.037 0.065 0.000 0.728 476 A CB -0.456 18.561 19.000 0.028 0.000 0.814 476 A HN 0.595 nan 8.150 nan 0.000 0.464 477 E N -0.988 119.261 120.200 0.082 0.000 2.190 477 E HA -0.027 4.323 4.350 -0.000 0.000 0.191 477 E C 1.485 178.142 176.600 0.095 0.000 0.978 477 E CA 0.736 57.173 56.400 0.062 0.000 0.839 477 E CB -0.444 29.291 29.700 0.057 0.000 0.787 477 E HN 0.467 nan 8.360 nan 0.000 0.473 478 F N 0.571 120.523 119.950 0.005 0.000 2.134 478 F HA -0.117 4.410 4.527 0.000 0.000 0.299 478 F C 1.771 177.587 175.800 0.027 0.000 1.097 478 F CA 1.260 59.269 58.000 0.015 0.000 1.264 478 F CB -0.416 38.591 39.000 0.012 0.000 1.001 478 F HN 0.202 nan 8.300 nan 0.000 0.479 479 L N -0.015 121.207 121.223 -0.001 0.000 2.012 479 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 479 L C 2.330 179.123 176.870 -0.130 0.000 1.073 479 L CA 1.769 56.550 54.840 -0.098 0.000 0.748 479 L CB -0.936 41.136 42.059 0.023 0.000 0.891 479 L HN 0.091 nan 8.230 nan 0.000 0.431 480 V N -0.162 119.707 119.914 -0.075 0.000 2.233 480 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 480 V C 2.677 178.799 176.094 0.047 0.000 1.050 480 V CA 1.978 64.254 62.300 -0.039 0.000 1.010 480 V CB -0.812 30.959 31.823 -0.087 0.000 0.637 480 V HN 0.417 nan 8.190 nan 0.000 0.444 481 K N 0.543 120.923 120.400 -0.033 0.000 2.034 481 K HA -0.235 4.085 4.320 -0.000 0.000 0.214 481 K C 2.483 179.034 176.600 -0.082 0.000 1.051 481 K CA 2.047 58.312 56.287 -0.037 0.000 0.931 481 K CB -1.078 31.379 32.500 -0.073 0.000 0.715 481 K HN 0.556 nan 8.250 nan 0.000 0.446 482 S N 1.458 116.950 115.700 -0.347 0.000 2.392 482 S HA -0.212 4.258 4.470 -0.000 0.000 0.225 482 S C 1.909 176.438 174.600 -0.117 0.000 1.041 482 S CA 1.734 59.707 58.200 -0.379 0.000 1.100 482 S CB -0.115 62.638 63.200 -0.745 0.000 1.029 482 S HN 0.140 nan 8.310 nan 0.000 0.424 483 K N 0.804 121.173 120.400 -0.052 0.000 2.173 483 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 483 K C 2.113 178.743 176.600 0.051 0.000 1.046 483 K CA 1.600 57.914 56.287 0.045 0.000 0.929 483 K CB -1.191 31.401 32.500 0.154 0.000 0.720 483 K HN 0.713 nan 8.250 nan 0.000 0.453 484 H N 0.996 120.080 119.070 0.023 0.000 2.276 484 H HA -0.048 4.508 4.556 -0.000 0.000 0.301 484 H C 2.214 177.481 175.328 -0.102 0.000 1.073 484 H CA 1.678 57.675 56.048 -0.085 0.000 1.311 484 H CB 0.149 29.921 29.762 0.016 0.000 1.379 484 H HN 0.100 nan 8.280 nan 0.000 0.494 485 R N 0.579 121.156 120.500 0.129 0.000 2.103 485 R HA -0.154 4.186 4.340 -0.000 0.000 0.242 485 R C 1.462 177.750 176.300 -0.020 0.000 1.142 485 R CA 2.160 58.295 56.100 0.057 0.000 0.960 485 R CB -0.189 30.133 30.300 0.036 0.000 0.858 485 R HN 0.362 nan 8.270 nan 0.000 0.439 486 D N 0.559 120.937 120.400 -0.037 0.000 2.144 486 D HA -0.150 4.489 4.640 -0.000 0.000 0.200 486 D C 1.784 178.040 176.300 -0.074 0.000 0.978 486 D CA 0.699 54.674 54.000 -0.042 0.000 0.833 486 D CB -0.193 40.589 40.800 -0.030 0.000 0.961 486 D HN 0.178 nan 8.370 nan 0.000 0.470 487 L N 0.553 121.693 121.223 -0.139 0.000 2.156 487 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 487 L C 2.078 178.839 176.870 -0.182 0.000 1.095 487 L CA 1.409 56.137 54.840 -0.187 0.000 0.770 487 L CB -0.653 41.212 42.059 -0.324 0.000 0.914 487 L HN 0.051 nan 8.230 nan 0.000 0.439 488 T N -1.535 112.906 114.554 -0.188 0.000 2.732 488 T HA -0.087 4.263 4.350 -0.000 0.000 0.261 488 T C 1.982 176.647 174.700 -0.059 0.000 1.040 488 T CA 0.923 62.949 62.100 -0.124 0.000 1.145 488 T CB -0.909 67.913 68.868 -0.076 0.000 0.866 488 T HN 0.371 nan 8.240 nan 0.000 0.427 489 A N 2.176 124.973 122.820 -0.038 0.000 1.909 489 A HA -0.148 4.172 4.320 -0.000 0.000 0.221 489 A C 2.359 179.936 177.584 -0.012 0.000 1.223 489 A CA 1.872 53.900 52.037 -0.016 0.000 0.658 489 A CB -1.238 17.756 19.000 -0.010 0.000 0.831 489 A HN 0.527 nan 8.150 nan 0.000 0.462 490 L N -1.388 119.821 121.223 -0.023 0.000 2.376 490 L HA -0.153 4.187 4.340 -0.000 0.000 0.219 490 L C 2.404 179.276 176.870 0.003 0.000 1.133 490 L CA 0.771 55.606 54.840 -0.007 0.000 0.816 490 L CB -0.610 41.436 42.059 -0.021 0.000 0.933 490 L HN 0.565 nan 8.230 nan 0.000 0.449 491 C N -0.642 118.643 119.300 -0.026 0.000 2.504 491 C HA -0.046 4.414 4.460 -0.000 0.000 0.279 491 C C 2.744 177.751 174.990 0.030 0.000 1.358 491 C CA -0.002 59.006 59.018 -0.018 0.000 1.747 491 C CB -0.009 27.686 27.740 -0.075 0.000 2.037 491 C HN 0.414 nan 8.230 nan 0.000 0.503 492 K N 1.485 121.894 120.400 0.014 0.000 2.000 492 K HA -0.204 4.115 4.320 -0.000 0.000 0.218 492 K C 1.927 178.553 176.600 0.044 0.000 1.053 492 K CA 1.857 58.158 56.287 0.024 0.000 0.946 492 K CB -0.221 32.286 32.500 0.012 0.000 0.723 492 K HN 0.487 nan 8.250 nan 0.000 0.446 493 E N -0.865 119.360 120.200 0.043 0.000 2.065 493 E HA -0.283 4.067 4.350 -0.000 0.000 0.201 493 E C 1.974 178.617 176.600 0.071 0.000 1.016 493 E CA 1.977 58.404 56.400 0.045 0.000 0.818 493 E CB -0.315 29.410 29.700 0.042 0.000 0.749 493 E HN 0.483 nan 8.360 nan 0.000 0.453 494 Y N 1.375 121.660 120.300 -0.026 0.000 2.497 494 Y HA -0.155 4.395 4.550 -0.000 0.000 0.292 494 Y C 1.517 177.402 175.900 -0.025 0.000 1.137 494 Y CA 0.891 58.975 58.100 -0.026 0.000 1.285 494 Y CB 0.257 38.697 38.460 -0.032 0.000 0.991 494 Y HN -0.028 nan 8.280 nan 0.000 0.556 495 D N 0.338 120.841 120.400 0.173 0.000 2.162 495 D HA -0.144 4.496 4.640 -0.000 0.000 0.203 495 D C 1.723 178.017 176.300 -0.010 0.000 0.967 495 D CA 1.243 55.296 54.000 0.088 0.000 0.840 495 D CB -0.095 40.750 40.800 0.076 0.000 0.972 495 D HN 0.563 nan 8.370 nan 0.000 0.482 496 E N -0.044 120.146 120.200 -0.016 0.000 2.268 496 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 496 E C 1.698 178.253 176.600 -0.076 0.000 0.995 496 E CA 0.424 56.803 56.400 -0.036 0.000 0.836 496 E CB 0.208 29.896 29.700 -0.020 0.000 0.763 496 E HN 0.188 nan 8.360 nan 0.000 0.491 497 L N 0.261 121.404 121.223 -0.133 0.000 2.202 497 L HA 0.066 4.406 4.340 -0.000 0.000 0.205 497 L C 2.312 179.038 176.870 -0.240 0.000 1.083 497 L CA 1.103 55.831 54.840 -0.186 0.000 0.790 497 L CB -0.718 41.208 42.059 -0.221 0.000 0.942 497 L HN -0.017 nan 8.230 nan 0.000 0.452 498 A N -0.496 122.125 122.820 -0.333 0.000 1.978 498 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 498 A C 2.217 179.728 177.584 -0.122 0.000 1.170 498 A CA 1.846 53.732 52.037 -0.251 0.000 0.636 498 A CB -0.453 18.425 19.000 -0.203 0.000 0.810 498 A HN 0.409 nan 8.150 nan 0.000 0.448 499 E N -0.181 119.963 120.200 -0.093 0.000 2.005 499 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 499 E C 2.049 178.613 176.600 -0.059 0.000 1.010 499 E CA 2.287 58.653 56.400 -0.057 0.000 0.825 499 E CB -0.925 28.750 29.700 -0.042 0.000 0.769 499 E HN 0.444 nan 8.360 nan 0.000 0.456 500 T N 0.918 115.433 114.554 -0.065 0.000 2.565 500 T HA -0.315 4.035 4.350 -0.000 0.000 0.265 500 T C 1.748 176.411 174.700 -0.062 0.000 1.082 500 T CA 1.952 64.017 62.100 -0.059 0.000 1.173 500 T CB -0.595 68.237 68.868 -0.061 0.000 0.864 500 T HN 0.350 nan 8.240 nan 0.000 0.425 501 Q N 0.254 120.004 119.800 -0.084 0.000 2.315 501 Q HA -0.199 4.141 4.340 -0.000 0.000 0.213 501 Q C 2.322 178.290 176.000 -0.054 0.000 0.994 501 Q CA 1.860 57.617 55.803 -0.077 0.000 0.906 501 Q CB -0.558 28.115 28.738 -0.108 0.000 0.918 501 Q HN 0.648 nan 8.270 nan 0.000 0.427 502 G N 0.030 108.800 108.800 -0.051 0.000 2.430 502 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 502 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 502 G C 1.285 176.169 174.900 -0.028 0.000 1.146 502 G CA 0.435 45.514 45.100 -0.035 0.000 0.793 502 G HN 0.251 nan 8.290 nan 0.000 0.537 503 K N 0.034 120.416 120.400 -0.029 0.000 2.001 503 K HA 0.111 4.430 4.320 -0.000 0.000 0.208 503 K C 2.447 179.033 176.600 -0.024 0.000 1.048 503 K CA 0.836 57.108 56.287 -0.024 0.000 0.932 503 K CB -0.314 32.172 32.500 -0.025 0.000 0.715 503 K HN 0.219 nan 8.250 nan 0.000 0.437 504 L N 0.747 121.954 121.223 -0.027 0.000 2.131 504 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 504 L C 2.416 179.273 176.870 -0.021 0.000 1.092 504 L CA 1.205 56.031 54.840 -0.025 0.000 0.759 504 L CB -0.473 41.569 42.059 -0.027 0.000 0.903 504 L HN 0.302 nan 8.230 nan 0.000 0.435 505 E N 0.753 120.940 120.200 -0.022 0.000 2.265 505 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 505 E C 1.877 178.470 176.600 -0.011 0.000 0.996 505 E CA 1.364 57.754 56.400 -0.016 0.000 0.832 505 E CB 0.256 29.946 29.700 -0.017 0.000 0.756 505 E HN 0.712 nan 8.360 nan 0.000 0.491 506 E N -0.313 119.879 120.200 -0.013 0.000 2.340 506 E HA -0.024 4.326 4.350 -0.000 0.000 0.198 506 E C 1.773 178.366 176.600 -0.012 0.000 0.961 506 E CA -0.054 56.339 56.400 -0.010 0.000 0.905 506 E CB -0.175 29.519 29.700 -0.011 0.000 0.884 506 E HN -0.074 nan 8.360 nan 0.000 0.491 507 K N 0.924 121.314 120.400 -0.016 0.000 2.585 507 K HA -0.028 4.292 4.320 -0.000 0.000 0.194 507 K C 1.246 177.832 176.600 -0.024 0.000 1.037 507 K CA 0.502 56.777 56.287 -0.020 0.000 0.964 507 K CB 0.081 32.568 32.500 -0.023 0.000 0.787 507 K HN 0.281 nan 8.250 nan 0.000 0.488 508 L N -0.956 120.257 121.223 -0.016 0.000 2.467 508 L HA 0.031 4.371 4.340 -0.000 0.000 0.213 508 L C 1.814 178.683 176.870 -0.002 0.000 1.053 508 L CA 0.182 55.014 54.840 -0.013 0.000 0.847 508 L CB -0.001 42.057 42.059 -0.002 0.000 1.075 508 L HN 0.078 nan 8.230 nan 0.000 0.479 509 Q N 0.009 119.809 119.800 0.001 0.000 2.488 509 Q HA -0.188 4.152 4.340 -0.000 0.000 0.211 509 Q C 1.491 177.492 176.000 0.001 0.000 0.967 509 Q CA 0.701 56.508 55.803 0.006 0.000 0.926 509 Q CB 0.245 28.986 28.738 0.005 0.000 0.992 509 Q HN 0.321 nan 8.270 nan 0.000 0.506 510 E N 0.965 121.161 120.200 -0.007 0.000 2.012 510 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 510 E C 1.597 178.192 176.600 -0.007 0.000 0.977 510 E CA 0.987 57.381 56.400 -0.010 0.000 0.832 510 E CB -0.282 29.409 29.700 -0.016 0.000 0.790 510 E HN 0.213 nan 8.360 nan 0.000 0.466 511 L N 0.400 121.613 121.223 -0.017 0.000 1.989 511 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 511 L C 2.620 179.519 176.870 0.048 0.000 1.071 511 L CA 1.894 56.732 54.840 -0.004 0.000 0.749 511 L CB -0.750 41.236 42.059 -0.121 0.000 0.890 511 L HN 0.285 nan 8.230 nan 0.000 0.431 512 E N -0.024 120.176 120.200 0.000 0.000 2.339 512 E HA -0.237 4.112 4.350 -0.000 0.000 0.201 512 E C 2.065 178.674 176.600 0.016 0.000 1.015 512 E CA 1.079 57.491 56.400 0.021 0.000 0.841 512 E CB -0.055 29.680 29.700 0.059 0.000 0.754 512 E HN 0.525 nan 8.360 nan 0.000 0.508 513 A N 0.885 123.708 122.820 0.005 0.000 2.030 513 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 513 A C 0.649 178.211 177.584 -0.035 0.000 1.164 513 A CA 0.244 52.276 52.037 -0.008 0.000 0.697 513 A CB 0.283 19.280 19.000 -0.006 0.000 0.827 513 A HN 0.105 nan 8.150 nan 0.000 0.457 514 N N 1.820 120.491 118.700 -0.047 0.000 3.044 514 N HA 0.270 5.010 4.740 -0.000 0.000 0.254 514 N C -3.034 172.329 175.510 -0.246 0.000 1.253 514 N CA -1.121 51.869 53.050 -0.100 0.000 0.944 514 N CB 0.626 39.072 38.487 -0.068 0.000 1.217 514 N HN 0.309 nan 8.380 nan 0.000 0.498 515 P HA 0.263 nan 4.420 nan 0.000 0.273 515 P C -2.251 174.730 177.300 -0.532 0.000 1.250 515 P CA -0.699 61.976 63.100 -0.709 0.000 0.793 515 P CB 0.135 31.595 31.700 -0.401 0.000 1.011 516 P HA 0.115 nan 4.420 nan 0.000 0.289 516 P C -0.316 176.887 177.300 -0.162 0.000 1.299 516 P CA -0.310 62.620 63.100 -0.283 0.000 0.766 516 P CB 0.173 31.726 31.700 -0.245 0.000 1.226 517 S N 0.149 115.806 115.700 -0.072 0.000 2.560 517 S HA -0.029 4.441 4.470 -0.000 0.000 0.284 517 S C 1.057 175.660 174.600 0.005 0.000 1.327 517 S CA -0.100 58.089 58.200 -0.018 0.000 1.055 517 S CB 0.103 63.320 63.200 0.029 0.000 0.868 517 S HN 0.573 nan 8.310 nan 0.000 0.506 518 D N 1.355 121.768 120.400 0.021 0.000 2.106 518 D HA -0.071 4.569 4.640 -0.000 0.000 0.203 518 D C 0.681 177.021 176.300 0.068 0.000 0.977 518 D CA 1.031 55.061 54.000 0.049 0.000 0.844 518 D CB -0.028 40.798 40.800 0.043 0.000 1.002 518 D HN 0.420 nan 8.370 nan 0.000 0.461 519 V N -1.497 118.456 119.914 0.064 0.000 3.019 519 V HA 0.320 4.440 4.120 -0.000 0.000 0.317 519 V C 0.957 177.130 176.094 0.132 0.000 1.094 519 V CA -0.933 61.419 62.300 0.086 0.000 1.000 519 V CB 1.124 32.978 31.823 0.052 0.000 1.060 519 V HN 0.121 nan 8.190 nan 0.000 0.443 520 Y N 2.163 122.491 120.300 0.048 0.000 2.153 520 Y HA 0.388 4.938 4.550 -0.000 0.000 0.289 520 Y C 0.407 176.336 175.900 0.048 0.000 1.127 520 Y CA 1.065 59.198 58.100 0.056 0.000 1.131 520 Y CB 0.166 38.667 38.460 0.068 0.000 0.995 520 Y HN 0.524 nan 8.280 nan 0.000 0.505 521 L N 0.007 121.088 121.223 -0.237 0.000 2.472 521 L HA 0.316 4.656 4.340 -0.000 0.000 0.260 521 L C -0.147 176.669 176.870 -0.091 0.000 0.963 521 L CA -0.818 53.856 54.840 -0.277 0.000 0.829 521 L CB 2.091 43.911 42.059 -0.398 0.000 1.348 521 L HN 0.055 nan 8.230 nan 0.000 0.408 522 S N 0.111 115.767 115.700 -0.074 0.000 2.641 522 S HA 0.246 4.716 4.470 -0.000 0.000 0.261 522 S C 1.003 175.592 174.600 -0.018 0.000 1.257 522 S CA -0.189 57.993 58.200 -0.031 0.000 0.983 522 S CB 1.456 64.638 63.200 -0.029 0.000 0.990 522 S HN 0.558 nan 8.310 nan 0.000 0.572 523 S N -0.026 115.671 115.700 -0.004 0.000 2.399 523 S HA -0.027 4.443 4.470 -0.000 0.000 0.231 523 S C 1.917 176.513 174.600 -0.006 0.000 1.022 523 S CA 0.858 59.060 58.200 0.003 0.000 0.983 523 S CB -0.462 62.743 63.200 0.008 0.000 0.803 523 S HN 0.686 nan 8.310 nan 0.000 0.480 524 R N 0.541 121.029 120.500 -0.019 0.000 2.193 524 R HA -0.037 4.303 4.340 -0.000 0.000 0.213 524 R C 1.144 177.421 176.300 -0.038 0.000 1.055 524 R CA 1.093 57.175 56.100 -0.030 0.000 0.995 524 R CB 0.018 30.296 30.300 -0.037 0.000 0.893 524 R HN 0.326 nan 8.270 nan 0.000 0.459 525 D N -0.151 120.224 120.400 -0.042 0.000 2.146 525 D HA -0.127 4.513 4.640 -0.000 0.000 0.209 525 D C 1.785 178.063 176.300 -0.036 0.000 0.973 525 D CA 0.834 54.800 54.000 -0.057 0.000 0.860 525 D CB -0.309 40.435 40.800 -0.093 0.000 1.015 525 D HN -0.016 nan 8.370 nan 0.000 0.465 526 R N 1.422 121.911 120.500 -0.018 0.000 2.170 526 R HA -0.130 4.210 4.340 -0.000 0.000 0.242 526 R C 1.936 178.263 176.300 0.045 0.000 1.145 526 R CA 1.395 57.513 56.100 0.030 0.000 0.984 526 R CB -0.447 29.884 30.300 0.052 0.000 0.869 526 R HN 0.269 nan 8.270 nan 0.000 0.455 527 Q N -0.516 119.297 119.800 0.022 0.000 2.049 527 Q HA -0.057 4.283 4.340 -0.000 0.000 0.198 527 Q C 2.183 178.196 176.000 0.021 0.000 0.971 527 Q CA 1.746 57.563 55.803 0.024 0.000 0.833 527 Q CB -0.092 28.648 28.738 0.003 0.000 0.896 527 Q HN 0.392 nan 8.270 nan 0.000 0.434 528 I N 0.698 121.262 120.570 -0.011 0.000 2.286 528 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 528 I C 2.291 178.425 176.117 0.029 0.000 1.115 528 I CA 0.529 61.816 61.300 -0.021 0.000 1.392 528 I CB -0.153 37.812 38.000 -0.059 0.000 1.065 528 I HN 0.218 nan 8.210 nan 0.000 0.418 529 L N 0.708 121.926 121.223 -0.007 0.000 2.131 529 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 529 L C 1.860 178.555 176.870 -0.292 0.000 1.092 529 L CA 1.980 56.743 54.840 -0.127 0.000 0.759 529 L CB -0.720 41.287 42.059 -0.086 0.000 0.903 529 L HN 0.149 nan 8.230 nan 0.000 0.435 530 D N -1.057 119.327 120.400 -0.028 0.000 2.123 530 D HA -0.272 4.368 4.640 -0.000 0.000 0.196 530 D C 1.743 178.046 176.300 0.006 0.000 0.992 530 D CA 1.597 55.648 54.000 0.085 0.000 0.833 530 D CB -0.450 40.427 40.800 0.128 0.000 0.954 530 D HN 0.630 nan 8.370 nan 0.000 0.455 531 W N 1.143 122.327 121.300 -0.193 0.000 2.350 531 W HA -0.192 4.468 4.660 0.000 0.000 0.289 531 W C 2.228 178.544 176.519 -0.340 0.000 1.215 531 W CA 1.341 58.573 57.345 -0.188 0.000 1.236 531 W CB -0.151 29.178 29.460 -0.218 0.000 1.130 531 W HN 0.114 nan 8.180 nan 0.000 0.541 532 H N -0.925 118.100 119.070 -0.075 0.000 2.423 532 H HA -0.106 4.450 4.556 -0.000 0.000 0.297 532 H C 1.787 176.616 175.328 -0.831 0.000 1.075 532 H CA 1.691 57.324 56.048 -0.693 0.000 1.342 532 H CB -0.723 28.144 29.762 -1.491 0.000 1.395 532 H HN 0.199 nan 8.280 nan 0.000 0.530 533 F N 0.573 120.331 119.950 -0.319 0.000 2.456 533 F HA 0.063 4.590 4.527 -0.000 0.000 0.298 533 F C 2.594 178.206 175.800 -0.313 0.000 1.104 533 F CA 0.507 58.376 58.000 -0.219 0.000 1.435 533 F CB -0.624 38.303 39.000 -0.121 0.000 1.078 533 F HN 0.094 nan 8.300 nan 0.000 0.546 534 A N -0.053 122.572 122.820 -0.325 0.000 1.929 534 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 534 A C 2.141 179.296 177.584 -0.716 0.000 1.176 534 A CA 1.611 53.236 52.037 -0.687 0.000 0.628 534 A CB -1.054 17.265 19.000 -1.135 0.000 0.816 534 A HN 0.439 nan 8.150 nan 0.000 0.444 535 N N -0.818 117.556 118.700 -0.544 0.000 2.223 535 N HA -0.145 4.595 4.740 -0.000 0.000 0.185 535 N C 1.551 177.149 175.510 0.146 0.000 1.016 535 N CA 0.890 53.869 53.050 -0.118 0.000 0.863 535 N CB -0.092 38.258 38.487 -0.227 0.000 0.983 535 N HN 0.306 nan 8.380 nan 0.000 0.429 536 L N 1.655 122.916 121.223 0.063 0.000 2.072 536 L HA -0.074 4.266 4.340 -0.000 0.000 0.205 536 L C 1.916 178.767 176.870 -0.033 0.000 1.079 536 L CA 1.563 56.445 54.840 0.070 0.000 0.752 536 L CB -0.449 41.639 42.059 0.048 0.000 0.906 536 L HN 0.151 nan 8.230 nan 0.000 0.436 537 E N -1.497 118.638 120.200 -0.110 0.000 2.204 537 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 537 E C 2.020 178.557 176.600 -0.105 0.000 0.989 537 E CA 1.248 57.548 56.400 -0.167 0.000 0.824 537 E CB -0.247 29.319 29.700 -0.222 0.000 0.756 537 E HN 0.524 nan 8.360 nan 0.000 0.477 538 F N 1.431 121.291 119.950 -0.151 0.000 2.187 538 F HA 0.091 4.618 4.527 -0.000 0.000 0.295 538 F C 2.215 178.105 175.800 0.150 0.000 1.091 538 F CA 1.147 59.148 58.000 0.002 0.000 1.308 538 F CB -0.328 38.763 39.000 0.151 0.000 1.030 538 F HN -0.098 nan 8.300 nan 0.000 0.487 539 A N 0.561 123.169 122.820 -0.353 0.000 1.969 539 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 539 A C 1.626 179.181 177.584 -0.048 0.000 1.169 539 A CA 1.629 53.449 52.037 -0.362 0.000 0.635 539 A CB -0.795 18.238 19.000 0.055 0.000 0.810 539 A HN 0.586 nan 8.150 nan 0.000 0.445 540 N N -0.447 118.253 118.700 0.000 0.000 2.235 540 N HA 0.269 5.009 4.740 -0.000 0.000 0.209 540 N C 0.568 176.057 175.510 -0.036 0.000 1.122 540 N CA 0.724 53.822 53.050 0.080 0.000 0.845 540 N CB 0.306 38.806 38.487 0.021 0.000 1.004 540 N HN 0.486 nan 8.380 nan 0.000 0.499 541 A N 0.790 123.520 122.820 -0.150 0.000 2.462 541 A HA -0.189 4.131 4.320 -0.000 0.000 0.294 541 A C 0.384 177.769 177.584 -0.331 0.000 1.461 541 A CA 1.565 53.394 52.037 -0.347 0.000 0.765 541 A CB -1.840 16.652 19.000 -0.846 0.000 1.071 541 A HN 0.318 nan 8.150 nan 0.000 0.401 542 T N -1.226 113.119 114.554 -0.349 0.000 3.003 542 T HA 0.511 4.861 4.350 -0.000 0.000 0.354 542 T C -3.324 171.167 174.700 -0.348 0.000 1.651 542 T CA -0.727 61.113 62.100 -0.433 0.000 1.103 542 T CB 1.367 69.686 68.868 -0.915 0.000 1.450 542 T HN 0.033 nan 8.240 nan 0.000 0.484 543 P HA 0.037 nan 4.420 nan 0.000 0.255 543 P C 1.285 178.428 177.300 -0.262 0.000 1.151 543 P CA 0.459 63.424 63.100 -0.226 0.000 0.767 543 P CB 0.017 31.617 31.700 -0.168 0.000 0.736 544 L N 2.666 123.735 121.223 -0.256 0.000 2.447 544 L HA -0.196 4.144 4.340 -0.000 0.000 0.225 544 L C 2.235 178.974 176.870 -0.218 0.000 1.148 544 L CA 1.757 56.431 54.840 -0.277 0.000 0.808 544 L CB -1.152 40.719 42.059 -0.313 0.000 0.928 544 L HN 0.387 nan 8.230 nan 0.000 0.448 545 S N -0.993 114.600 115.700 -0.178 0.000 2.507 545 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 545 S C 1.848 176.396 174.600 -0.087 0.000 0.988 545 S CA 1.225 59.351 58.200 -0.123 0.000 0.944 545 S CB -0.523 62.617 63.200 -0.100 0.000 0.762 545 S HN 0.631 nan 8.310 nan 0.000 0.526 546 T N -0.938 113.551 114.554 -0.110 0.000 3.018 546 T HA 0.391 4.741 4.350 -0.000 0.000 0.246 546 T C 0.626 175.355 174.700 0.048 0.000 1.026 546 T CA -0.448 61.636 62.100 -0.027 0.000 1.081 546 T CB -0.583 68.262 68.868 -0.038 0.000 0.970 546 T HN 0.293 nan 8.240 nan 0.000 0.475 547 L N 2.742 123.929 121.223 -0.061 0.000 2.483 547 L HA 0.283 4.623 4.340 -0.000 0.000 0.275 547 L C 0.883 177.845 176.870 0.154 0.000 1.220 547 L CA -0.407 54.483 54.840 0.083 0.000 0.833 547 L CB 0.513 42.545 42.059 -0.045 0.000 1.102 547 L HN 0.208 nan 8.230 nan 0.000 0.490 548 S N 1.360 117.228 115.700 0.280 0.000 2.528 548 S HA 0.100 4.570 4.470 -0.000 0.000 0.277 548 S C 0.774 175.529 174.600 0.258 0.000 1.297 548 S CA -0.722 57.623 58.200 0.242 0.000 1.052 548 S CB 0.696 64.080 63.200 0.307 0.000 0.917 548 S HN 0.509 nan 8.310 nan 0.000 0.492 549 L N 5.971 127.269 121.223 0.126 0.000 1.976 549 L HA 0.081 4.421 4.340 -0.000 0.000 0.209 549 L C 2.374 179.300 176.870 0.094 0.000 1.071 549 L CA 1.942 56.855 54.840 0.123 0.000 0.746 549 L CB -0.716 41.337 42.059 -0.010 0.000 0.890 549 L HN 0.821 nan 8.230 nan 0.000 0.432 550 K N -2.017 118.301 120.400 -0.137 0.000 2.281 550 K HA -0.169 4.151 4.320 -0.000 0.000 0.203 550 K C 1.145 177.455 176.600 -0.485 0.000 1.046 550 K CA 1.497 57.510 56.287 -0.455 0.000 0.938 550 K CB -0.015 32.049 32.500 -0.727 0.000 0.737 550 K HN 0.604 nan 8.250 nan 0.000 0.458 551 H N -2.219 116.914 119.070 0.106 0.000 3.622 551 H HA -0.032 4.524 4.556 -0.000 0.000 0.259 551 H C 1.413 176.777 175.328 0.060 0.000 1.145 551 H CA 0.189 56.275 56.048 0.063 0.000 1.178 551 H CB -0.224 29.590 29.762 0.088 0.000 1.542 551 H HN 0.364 nan 8.280 nan 0.000 0.586 552 W N 3.274 124.682 121.300 0.180 0.000 2.292 552 W HA -0.191 4.469 4.660 -0.000 0.000 0.304 552 W C 0.184 176.781 176.519 0.130 0.000 1.228 552 W CA 1.677 59.118 57.345 0.160 0.000 1.241 552 W CB -0.630 28.902 29.460 0.121 0.000 1.142 552 W HN 0.159 nan 8.180 nan 0.000 0.520 553 D N 1.135 120.962 120.400 -0.955 0.000 2.424 553 D HA -0.061 4.579 4.640 -0.000 0.000 0.220 553 D C 1.676 177.716 176.300 -0.435 0.000 1.150 553 D CA 0.473 53.868 54.000 -1.008 0.000 0.831 553 D CB -0.669 39.115 40.800 -1.694 0.000 0.981 553 D HN 0.345 nan 8.370 nan 0.000 0.500 554 Q N 1.127 120.804 119.800 -0.204 0.000 2.515 554 Q HA -0.184 4.156 4.340 -0.000 0.000 0.215 554 Q C 0.775 176.732 176.000 -0.071 0.000 0.983 554 Q CA 1.737 57.499 55.803 -0.069 0.000 0.905 554 Q CB -0.576 28.198 28.738 0.059 0.000 0.961 554 Q HN 0.385 nan 8.270 nan 0.000 0.503 555 D N -1.062 119.267 120.400 -0.119 0.000 2.369 555 D HA -0.028 4.612 4.640 -0.000 0.000 0.211 555 D C 0.270 176.540 176.300 -0.049 0.000 1.077 555 D CA -0.056 53.908 54.000 -0.060 0.000 0.842 555 D CB -0.059 40.637 40.800 -0.174 0.000 0.947 555 D HN 0.065 nan 8.370 nan 0.000 0.509 556 D N 1.379 121.693 120.400 -0.143 0.000 2.218 556 D HA -0.126 4.514 4.640 -0.000 0.000 0.204 556 D C 1.051 177.240 176.300 -0.186 0.000 0.976 556 D CA 0.737 54.641 54.000 -0.161 0.000 0.853 556 D CB -0.051 40.633 40.800 -0.193 0.000 0.939 556 D HN 0.165 nan 8.370 nan 0.000 0.481 557 D N -0.854 119.374 120.400 -0.287 0.000 2.351 557 D HA -0.122 4.518 4.640 -0.000 0.000 0.216 557 D C 0.672 176.605 176.300 -0.611 0.000 0.968 557 D CA 0.489 54.190 54.000 -0.498 0.000 0.899 557 D CB -0.145 40.228 40.800 -0.711 0.000 0.907 557 D HN 0.312 nan 8.370 nan 0.000 0.514 558 F N 0.490 120.298 119.950 -0.237 0.000 2.708 558 F HA 0.196 4.723 4.527 -0.000 0.000 0.300 558 F C 0.908 176.521 175.800 -0.311 0.000 1.118 558 F CA -0.649 57.173 58.000 -0.296 0.000 1.307 558 F CB -0.074 38.551 39.000 -0.624 0.000 0.986 558 F HN -0.273 nan 8.300 nan 0.000 0.522 559 E N 1.119 121.256 120.200 -0.105 0.000 2.442 559 E HA 0.002 4.352 4.350 -0.000 0.000 0.262 559 E C -0.236 176.381 176.600 0.029 0.000 1.004 559 E CA -0.215 56.124 56.400 -0.101 0.000 0.928 559 E CB 0.573 30.273 29.700 0.001 0.000 0.937 559 E HN -0.018 nan 8.360 nan 0.000 0.446 560 F N 1.373 121.366 119.950 0.072 0.000 2.399 560 F HA 0.143 4.670 4.527 -0.000 0.000 0.313 560 F C 1.230 177.110 175.800 0.133 0.000 1.202 560 F CA -0.634 57.406 58.000 0.066 0.000 1.192 560 F CB 0.480 39.476 39.000 -0.006 0.000 1.256 560 F HN 0.380 nan 8.300 nan 0.000 0.558 561 T N -1.403 113.379 114.554 0.381 0.000 2.945 561 T HA 0.774 5.124 4.350 -0.000 0.000 0.286 561 T C -0.048 174.801 174.700 0.248 0.000 1.025 561 T CA -0.106 62.168 62.100 0.290 0.000 1.039 561 T CB 1.427 70.467 68.868 0.286 0.000 1.068 561 T HN 1.442 nan 8.240 nan 0.000 0.497 562 G N 1.067 109.988 108.800 0.203 0.000 2.663 562 G HA2 0.096 4.056 3.960 -0.000 0.000 0.686 562 G HA3 0.096 4.056 3.960 -0.000 0.000 0.686 562 G C -0.415 174.614 174.900 0.216 0.000 1.288 562 G CA -0.568 44.636 45.100 0.173 0.000 0.836 562 G HN 1.285 nan 8.290 nan 0.000 0.584 563 S N 0.697 116.500 115.700 0.172 0.000 2.549 563 S HA 0.367 4.837 4.470 -0.000 0.000 0.283 563 S C 0.640 175.419 174.600 0.298 0.000 1.320 563 S CA -0.258 58.053 58.200 0.186 0.000 1.058 563 S CB 0.416 63.691 63.200 0.126 0.000 0.882 563 S HN 0.628 nan 8.310 nan 0.000 0.498 564 H N 0.739 119.892 119.070 0.138 0.000 2.836 564 H HA 0.333 4.889 4.556 -0.000 0.000 0.368 564 H C -0.454 174.950 175.328 0.127 0.000 1.164 564 H CA -0.281 55.860 56.048 0.156 0.000 1.425 564 H CB 0.313 30.193 29.762 0.196 0.000 1.414 564 H HN 0.311 nan 8.280 nan 0.000 0.614 565 L N 0.340 121.690 121.223 0.212 0.000 2.409 565 L HA 0.323 4.663 4.340 -0.000 0.000 0.255 565 L C -0.163 176.737 176.870 0.050 0.000 1.027 565 L CA -0.610 54.297 54.840 0.111 0.000 0.834 565 L CB 2.514 44.611 42.059 0.063 0.000 1.426 565 L HN 0.733 nan 8.230 nan 0.000 0.411 566 T N -2.127 112.428 114.554 0.002 0.000 2.930 566 T HA 0.748 5.098 4.350 -0.000 0.000 0.290 566 T C -0.785 173.866 174.700 -0.082 0.000 1.052 566 T CA -0.818 61.240 62.100 -0.069 0.000 1.017 566 T CB 1.778 70.576 68.868 -0.117 0.000 1.137 566 T HN 0.210 nan 8.240 nan 0.000 0.511 567 V N 2.376 122.230 119.914 -0.101 0.000 2.259 567 V HA 0.383 4.503 4.120 -0.000 0.000 0.267 567 V C 1.581 177.726 176.094 0.084 0.000 1.051 567 V CA -0.707 61.551 62.300 -0.070 0.000 0.830 567 V CB 0.203 31.901 31.823 -0.207 0.000 1.080 567 V HN 0.906 nan 8.190 nan 0.000 0.467 568 R N 3.117 123.672 120.500 0.091 0.000 2.152 568 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 568 R C 1.484 177.913 176.300 0.216 0.000 1.117 568 R CA 1.570 57.781 56.100 0.184 0.000 0.981 568 R CB 0.146 30.520 30.300 0.123 0.000 0.870 568 R HN 0.890 nan 8.270 nan 0.000 0.451 569 N N -0.305 118.474 118.700 0.132 0.000 2.378 569 N HA 0.121 4.861 4.740 -0.000 0.000 0.243 569 N C -0.439 175.133 175.510 0.102 0.000 1.137 569 N CA 0.562 53.673 53.050 0.102 0.000 0.862 569 N CB 0.533 39.060 38.487 0.067 0.000 1.116 569 N HN 0.181 nan 8.380 nan 0.000 0.499 570 G N 0.153 109.042 108.800 0.149 0.000 3.137 570 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.686 570 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.686 570 G C -0.072 174.945 174.900 0.195 0.000 0.988 570 G CA -0.387 44.806 45.100 0.155 0.000 0.789 570 G HN 0.147 nan 8.290 nan 0.000 0.544 571 Y N 2.381 122.749 120.300 0.113 0.000 2.256 571 Y HA -0.199 4.351 4.550 -0.000 0.000 0.288 571 Y C 3.114 179.058 175.900 0.073 0.000 1.155 571 Y CA 2.401 60.556 58.100 0.092 0.000 1.203 571 Y CB -0.484 38.030 38.460 0.091 0.000 0.980 571 Y HN 1.078 nan 8.280 nan 0.000 0.530 572 S N -0.565 115.279 115.700 0.240 0.000 2.374 572 S HA -0.306 4.164 4.470 -0.000 0.000 0.227 572 S C 2.381 177.053 174.600 0.120 0.000 1.037 572 S CA 1.519 59.799 58.200 0.133 0.000 1.024 572 S CB -1.877 61.379 63.200 0.094 0.000 0.861 572 S HN 0.679 nan 8.310 nan 0.000 0.456 573 C N 0.942 120.319 119.300 0.128 0.000 2.388 573 C HA -0.072 4.388 4.460 -0.000 0.000 0.295 573 C C 2.125 177.180 174.990 0.108 0.000 1.287 573 C CA 0.649 59.728 59.018 0.102 0.000 1.836 573 C CB -2.021 25.778 27.740 0.099 0.000 1.985 573 C HN 0.492 nan 8.230 nan 0.000 0.528 574 V N 1.703 121.707 119.914 0.149 0.000 2.391 574 V HA 0.081 4.201 4.120 -0.000 0.000 0.237 574 V C 0.387 176.524 176.094 0.071 0.000 1.046 574 V CA 1.519 63.900 62.300 0.135 0.000 1.053 574 V CB -1.625 30.328 31.823 0.216 0.000 0.704 574 V HN 0.189 nan 8.190 nan 0.000 0.475 575 P HA -0.169 nan 4.420 nan 0.000 0.216 575 P C 1.925 179.233 177.300 0.013 0.000 1.157 575 P CA 1.670 64.775 63.100 0.009 0.000 0.880 575 P CB -0.192 31.503 31.700 -0.008 0.000 0.791 576 V N 0.803 120.731 119.914 0.024 0.000 2.255 576 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 576 V C 2.765 178.866 176.094 0.012 0.000 1.051 576 V CA 2.483 64.791 62.300 0.014 0.000 1.018 576 V CB -1.849 29.986 31.823 0.020 0.000 0.641 576 V HN 0.130 nan 8.190 nan 0.000 0.445 577 A N -0.257 122.579 122.820 0.026 0.000 1.903 577 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 577 A C 2.218 179.807 177.584 0.009 0.000 1.191 577 A CA 2.300 54.350 52.037 0.022 0.000 0.638 577 A CB -0.707 18.317 19.000 0.040 0.000 0.823 577 A HN 0.517 nan 8.150 nan 0.000 0.451 578 L N -1.154 120.077 121.223 0.013 0.000 2.201 578 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 578 L C 2.948 179.803 176.870 -0.024 0.000 1.105 578 L CA 0.854 55.694 54.840 -0.000 0.000 0.775 578 L CB -0.552 41.511 42.059 0.008 0.000 0.913 578 L HN 0.491 nan 8.230 nan 0.000 0.440 579 A N -0.611 122.195 122.820 -0.023 0.000 2.121 579 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 579 A C 1.251 178.811 177.584 -0.040 0.000 1.154 579 A CA 0.384 52.400 52.037 -0.035 0.000 0.679 579 A CB -0.371 18.611 19.000 -0.031 0.000 0.795 579 A HN 0.416 nan 8.150 nan 0.000 0.458 580 E N -0.494 119.686 120.200 -0.034 0.000 2.373 580 E HA 0.336 4.686 4.350 -0.000 0.000 0.267 580 E C 0.952 177.521 176.600 -0.051 0.000 1.032 580 E CA 0.512 56.889 56.400 -0.037 0.000 0.889 580 E CB 0.182 29.865 29.700 -0.029 0.000 0.984 580 E HN 0.684 nan 8.360 nan 0.000 0.425 581 G N 3.646 112.417 108.800 -0.049 0.000 2.157 581 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.248 581 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.248 581 G C -0.069 174.796 174.900 -0.059 0.000 0.979 581 G CA 0.236 45.302 45.100 -0.056 0.000 0.650 581 G HN 0.429 nan 8.290 nan 0.000 0.529 582 L N 0.324 121.512 121.223 -0.058 0.000 2.362 582 L HA 0.475 4.815 4.340 -0.000 0.000 0.271 582 L C -0.708 176.124 176.870 -0.063 0.000 1.002 582 L CA -0.904 53.897 54.840 -0.066 0.000 0.818 582 L CB 1.905 43.920 42.059 -0.073 0.000 1.298 582 L HN 0.091 nan 8.230 nan 0.000 0.420 583 D N 3.372 123.732 120.400 -0.067 0.000 2.402 583 D HA 0.327 4.967 4.640 -0.000 0.000 0.235 583 D C -0.585 175.662 176.300 -0.089 0.000 1.226 583 D CA 0.185 54.145 54.000 -0.067 0.000 0.918 583 D CB 0.102 40.869 40.800 -0.056 0.000 1.043 583 D HN 0.224 nan 8.370 nan 0.000 0.506 584 I N 4.281 124.798 120.570 -0.088 0.000 2.390 584 I HA 0.178 4.348 4.170 -0.000 0.000 0.283 584 I C 0.020 176.065 176.117 -0.120 0.000 1.016 584 I CA -1.020 60.215 61.300 -0.110 0.000 1.151 584 I CB 1.240 39.184 38.000 -0.093 0.000 1.293 584 I HN -0.089 nan 8.210 nan 0.000 0.458 585 K N 7.687 127.991 120.400 -0.160 0.000 2.262 585 K HA 0.402 4.722 4.320 -0.000 0.000 0.288 585 K C -0.357 176.130 176.600 -0.187 0.000 1.090 585 K CA -0.137 56.041 56.287 -0.182 0.000 0.918 585 K CB 0.405 32.759 32.500 -0.244 0.000 1.139 585 K HN 0.547 nan 8.250 nan 0.000 0.462 586 L N 2.076 123.212 121.223 -0.146 0.000 2.439 586 L HA 0.169 4.509 4.340 -0.000 0.000 0.261 586 L C 0.886 177.670 176.870 -0.144 0.000 1.153 586 L CA -0.346 54.411 54.840 -0.138 0.000 0.808 586 L CB 0.281 42.282 42.059 -0.096 0.000 1.126 586 L HN 0.698 nan 8.230 nan 0.000 0.460 587 N N 0.098 118.707 118.700 -0.151 0.000 2.780 587 N HA -0.137 4.603 4.740 -0.000 0.000 0.248 587 N C -0.785 174.638 175.510 -0.146 0.000 1.102 587 N CA 0.909 53.881 53.050 -0.130 0.000 0.697 587 N CB -1.183 37.267 38.487 -0.063 0.000 1.028 587 N HN 0.704 nan 8.380 nan 0.000 0.554 588 T N -0.090 114.334 114.554 -0.217 0.000 2.892 588 T HA 0.592 4.942 4.350 -0.000 0.000 0.311 588 T C 0.093 174.656 174.700 -0.228 0.000 1.033 588 T CA -0.446 61.532 62.100 -0.202 0.000 0.991 588 T CB 1.859 70.567 68.868 -0.266 0.000 0.981 588 T HN 0.324 nan 8.240 nan 0.000 0.457 589 A N 3.674 126.399 122.820 -0.157 0.000 2.280 589 A HA 0.635 4.955 4.320 -0.000 0.000 0.320 589 A C 0.451 177.993 177.584 -0.070 0.000 1.366 589 A CA -0.589 51.328 52.037 -0.200 0.000 0.938 589 A CB 0.039 18.962 19.000 -0.128 0.000 1.157 589 A HN 0.728 nan 8.150 nan 0.000 0.536 590 V N 3.939 123.794 119.914 -0.099 0.000 2.694 590 V HA 0.004 4.124 4.120 -0.000 0.000 0.306 590 V C 1.270 177.351 176.094 -0.021 0.000 1.054 590 V CA 0.596 62.864 62.300 -0.054 0.000 1.161 590 V CB 0.328 32.099 31.823 -0.087 0.000 0.916 590 V HN 0.988 nan 8.190 nan 0.000 0.490 591 R N 2.175 122.665 120.500 -0.017 0.000 2.412 591 R HA 0.275 4.615 4.340 -0.000 0.000 0.212 591 R C 0.369 176.625 176.300 -0.073 0.000 0.878 591 R CA 0.123 56.214 56.100 -0.015 0.000 1.022 591 R CB 0.784 31.096 30.300 0.019 0.000 1.265 591 R HN 0.773 nan 8.270 nan 0.000 0.620 592 Q N 0.635 120.382 119.800 -0.087 0.000 2.284 592 Q HA 0.357 4.697 4.340 -0.000 0.000 0.269 592 Q C -1.781 174.137 176.000 -0.137 0.000 1.026 592 Q CA -0.382 55.344 55.803 -0.128 0.000 0.831 592 Q CB 2.958 31.661 28.738 -0.059 0.000 1.322 592 Q HN -0.154 nan 8.270 nan 0.000 0.419 593 V N 4.078 123.851 119.914 -0.235 0.000 2.384 593 V HA 0.561 4.681 4.120 -0.000 0.000 0.287 593 V C -0.459 175.693 176.094 0.096 0.000 1.020 593 V CA -0.573 61.691 62.300 -0.061 0.000 0.850 593 V CB 1.571 33.360 31.823 -0.058 0.000 0.987 593 V HN 0.656 nan 8.190 nan 0.000 0.436 594 R N 4.769 125.329 120.500 0.101 0.000 2.360 594 R HA 0.567 4.907 4.340 -0.000 0.000 0.318 594 R C -1.561 174.796 176.300 0.095 0.000 0.950 594 R CA -0.560 55.552 56.100 0.019 0.000 0.837 594 R CB 1.851 32.149 30.300 -0.004 0.000 1.165 594 R HN 0.821 nan 8.270 nan 0.000 0.458 595 Y N -0.796 119.545 120.300 0.068 0.000 2.477 595 Y HA 0.749 5.299 4.550 -0.000 0.000 0.347 595 Y C -0.426 175.508 175.900 0.056 0.000 0.981 595 Y CA -1.057 57.082 58.100 0.065 0.000 1.033 595 Y CB 1.949 40.452 38.460 0.071 0.000 1.245 595 Y HN 0.541 nan 8.280 nan 0.000 0.455 596 T N -1.473 113.156 114.554 0.125 0.000 2.821 596 T HA 0.613 4.963 4.350 -0.000 0.000 0.306 596 T C 0.708 175.475 174.700 0.112 0.000 1.313 596 T CA -0.529 61.606 62.100 0.059 0.000 1.012 596 T CB 1.294 70.168 68.868 0.010 0.000 1.298 596 T HN 1.170 nan 8.240 nan 0.000 0.502 597 A N 1.219 124.090 122.820 0.085 0.000 1.997 597 A HA -0.073 4.247 4.320 -0.000 0.000 0.221 597 A C 2.208 179.848 177.584 0.093 0.000 1.172 597 A CA 2.607 54.697 52.037 0.088 0.000 0.645 597 A CB -1.263 17.773 19.000 0.061 0.000 0.813 597 A HN 1.577 nan 8.150 nan 0.000 0.454 598 S N -2.935 112.814 115.700 0.080 0.000 2.539 598 S HA 0.522 4.992 4.470 -0.000 0.000 0.221 598 S C 0.727 175.380 174.600 0.089 0.000 0.987 598 S CA 0.667 58.914 58.200 0.078 0.000 0.929 598 S CB 0.099 63.331 63.200 0.053 0.000 0.832 598 S HN 1.812 nan 8.310 nan 0.000 0.492 599 G N -0.367 108.496 108.800 0.104 0.000 2.356 599 G HA2 0.349 4.309 3.960 -0.000 0.000 0.288 599 G HA3 0.349 4.309 3.960 -0.000 0.000 0.288 599 G C -1.534 173.432 174.900 0.111 0.000 1.302 599 G CA -0.310 44.853 45.100 0.105 0.000 0.887 599 G HN 0.548 nan 8.290 nan 0.000 0.521 600 C N -0.098 119.262 119.300 0.100 0.000 2.802 600 C HA 0.897 5.357 4.460 -0.000 0.000 0.307 600 C C -0.462 174.580 174.990 0.087 0.000 1.222 600 C CA -0.806 58.281 59.018 0.115 0.000 1.580 600 C CB 1.347 29.172 27.740 0.141 0.000 2.119 600 C HN 0.999 nan 8.230 nan 0.000 0.479 601 E N 0.478 120.729 120.200 0.086 0.000 2.272 601 E HA 0.746 5.096 4.350 -0.000 0.000 0.269 601 E C -1.807 174.848 176.600 0.092 0.000 0.877 601 E CA -0.619 55.832 56.400 0.086 0.000 0.755 601 E CB 1.709 31.445 29.700 0.060 0.000 1.192 601 E HN 0.324 nan 8.360 nan 0.000 0.422 602 V N 3.631 123.621 119.914 0.127 0.000 2.495 602 V HA 0.419 4.538 4.120 -0.000 0.000 0.298 602 V C -0.239 175.955 176.094 0.167 0.000 1.031 602 V CA -0.708 61.655 62.300 0.106 0.000 0.871 602 V CB 1.280 33.142 31.823 0.066 0.000 0.988 602 V HN 0.628 nan 8.190 nan 0.000 0.432 603 I N 3.849 124.480 120.570 0.102 0.000 2.378 603 I HA 0.825 4.995 4.170 -0.000 0.000 0.291 603 I C 0.220 176.408 176.117 0.119 0.000 0.992 603 I CA -0.377 60.997 61.300 0.124 0.000 1.154 603 I CB 1.693 39.730 38.000 0.060 0.000 1.315 603 I HN 0.684 nan 8.210 nan 0.000 0.448 604 A N 5.595 128.537 122.820 0.203 0.000 2.454 604 A HA 0.885 5.205 4.320 -0.000 0.000 0.302 604 A C -0.427 177.302 177.584 0.242 0.000 1.079 604 A CA -0.626 51.513 52.037 0.169 0.000 0.731 604 A CB 1.841 20.923 19.000 0.137 0.000 1.299 604 A HN 0.619 nan 8.150 nan 0.000 0.413 605 V N -0.440 119.581 119.914 0.178 0.000 3.345 605 V HA 0.735 4.855 4.120 -0.000 0.000 0.308 605 V C -0.121 176.112 176.094 0.232 0.000 1.168 605 V CA -0.875 61.554 62.300 0.216 0.000 1.024 605 V CB 1.587 33.487 31.823 0.128 0.000 1.211 605 V HN 0.934 nan 8.190 nan 0.000 0.461 606 N N -0.007 118.832 118.700 0.232 0.000 2.444 606 N HA 0.342 5.082 4.740 -0.000 0.000 0.262 606 N C 0.929 176.506 175.510 0.112 0.000 0.974 606 N CA 0.222 53.381 53.050 0.183 0.000 0.933 606 N CB 1.634 40.278 38.487 0.261 0.000 1.137 606 N HN 0.935 nan 8.380 nan 0.000 0.498 607 T N 1.040 115.639 114.554 0.075 0.000 2.929 607 T HA -0.102 4.248 4.350 -0.000 0.000 0.271 607 T C 1.489 176.246 174.700 0.095 0.000 1.085 607 T CA 1.015 63.176 62.100 0.101 0.000 1.125 607 T CB -0.085 68.845 68.868 0.103 0.000 0.874 607 T HN 0.438 nan 8.240 nan 0.000 0.494 608 R N 2.053 122.598 120.500 0.075 0.000 2.072 608 R HA 0.090 4.430 4.340 -0.000 0.000 0.221 608 R C 1.474 177.811 176.300 0.061 0.000 1.166 608 R CA 1.313 57.451 56.100 0.063 0.000 0.917 608 R CB -0.443 29.888 30.300 0.052 0.000 0.815 608 R HN 0.485 nan 8.270 nan 0.000 0.444 609 S N 0.539 116.275 115.700 0.060 0.000 2.404 609 S HA 0.088 4.558 4.470 -0.000 0.000 0.309 609 S C 0.816 175.450 174.600 0.057 0.000 1.076 609 S CA -0.441 57.789 58.200 0.049 0.000 1.095 609 S CB 1.502 64.723 63.200 0.035 0.000 0.972 609 S HN 0.426 nan 8.310 nan 0.000 0.484 610 T N 0.545 115.132 114.554 0.055 0.000 3.055 610 T HA -0.084 4.266 4.350 -0.000 0.000 0.265 610 T C 1.830 176.556 174.700 0.044 0.000 1.111 610 T CA 0.959 63.097 62.100 0.064 0.000 1.118 610 T CB -0.748 68.162 68.868 0.070 0.000 0.909 610 T HN 0.772 nan 8.240 nan 0.000 0.501 611 S N 0.504 116.217 115.700 0.023 0.000 2.447 611 S HA -0.042 4.428 4.470 -0.000 0.000 0.233 611 S C 1.225 175.814 174.600 -0.020 0.000 1.006 611 S CA 0.013 58.214 58.200 0.002 0.000 0.957 611 S CB -0.723 62.473 63.200 -0.006 0.000 0.773 611 S HN 0.664 nan 8.310 nan 0.000 0.507 612 Q N 2.375 122.163 119.800 -0.020 0.000 2.325 612 Q HA 0.141 4.481 4.340 -0.000 0.000 0.256 612 Q C -0.934 174.980 176.000 -0.142 0.000 1.142 612 Q CA 0.269 56.022 55.803 -0.083 0.000 0.902 612 Q CB 0.085 28.791 28.738 -0.054 0.000 1.350 612 Q HN 0.325 nan 8.270 nan 0.000 0.449 613 T N 3.962 118.370 114.554 -0.243 0.000 2.907 613 T HA 0.528 4.878 4.350 -0.000 0.000 0.284 613 T C -0.745 173.681 174.700 -0.456 0.000 1.004 613 T CA -0.163 61.818 62.100 -0.198 0.000 1.063 613 T CB 0.437 69.238 68.868 -0.112 0.000 0.992 613 T HN 0.318 nan 8.240 nan 0.000 0.483 614 F N 1.633 121.573 119.950 -0.016 0.000 2.563 614 F HA 0.643 5.170 4.527 -0.000 0.000 0.316 614 F C -0.235 175.503 175.800 -0.103 0.000 1.076 614 F CA -1.177 56.777 58.000 -0.077 0.000 0.921 614 F CB 1.591 40.612 39.000 0.035 0.000 1.209 614 F HN 0.202 nan 8.300 nan 0.000 0.462 615 I N 2.650 123.154 120.570 -0.110 0.000 2.619 615 I HA 0.329 4.499 4.170 -0.000 0.000 0.292 615 I C -1.545 174.356 176.117 -0.360 0.000 1.100 615 I CA -0.917 60.327 61.300 -0.094 0.000 1.043 615 I CB 2.017 39.984 38.000 -0.054 0.000 1.239 615 I HN 0.506 nan 8.210 nan 0.000 0.420 616 Y N 4.218 124.544 120.300 0.043 0.000 2.331 616 Y HA 0.405 4.955 4.550 -0.000 0.000 0.334 616 Y C 0.162 176.067 175.900 0.010 0.000 0.960 616 Y CA -0.907 57.205 58.100 0.020 0.000 1.130 616 Y CB 1.802 40.261 38.460 -0.001 0.000 1.164 616 Y HN 0.275 nan 8.280 nan 0.000 0.458 617 K N 3.443 123.915 120.400 0.121 0.000 2.156 617 K HA 0.730 5.050 4.320 -0.000 0.000 0.271 617 K C -0.517 176.126 176.600 0.070 0.000 0.995 617 K CA -0.326 56.007 56.287 0.077 0.000 0.890 617 K CB 1.436 33.960 32.500 0.040 0.000 1.073 617 K HN 0.874 nan 8.250 nan 0.000 0.454 618 C N -1.126 118.202 119.300 0.047 0.000 3.285 618 C HA 0.357 4.817 4.460 -0.000 0.000 0.325 618 C C 0.869 175.850 174.990 -0.015 0.000 1.304 618 C CA -0.890 58.130 59.018 0.003 0.000 1.319 618 C CB 1.117 28.848 27.740 -0.014 0.000 1.640 618 C HN 0.840 nan 8.230 nan 0.000 0.477 619 D N 1.030 121.378 120.400 -0.087 0.000 2.219 619 D HA 0.214 4.854 4.640 -0.000 0.000 0.205 619 D C 0.801 177.000 176.300 -0.167 0.000 0.970 619 D CA 2.061 55.986 54.000 -0.125 0.000 0.851 619 D CB 0.344 40.969 40.800 -0.291 0.000 0.943 619 D HN 1.042 nan 8.370 nan 0.000 0.488 620 A N 0.118 122.814 122.820 -0.206 0.000 2.589 620 A HA 0.506 4.826 4.320 -0.000 0.000 0.296 620 A C -1.164 176.393 177.584 -0.046 0.000 1.062 620 A CA -0.634 51.342 52.037 -0.103 0.000 0.686 620 A CB 1.769 20.544 19.000 -0.375 0.000 1.282 620 A HN -0.099 nan 8.150 nan 0.000 0.404 621 V N 1.615 121.564 119.914 0.059 0.000 2.555 621 V HA 0.643 4.763 4.120 -0.000 0.000 0.302 621 V C -0.771 175.331 176.094 0.012 0.000 1.038 621 V CA -0.554 61.749 62.300 0.006 0.000 0.887 621 V CB 1.467 33.297 31.823 0.011 0.000 0.991 621 V HN 0.882 nan 8.190 nan 0.000 0.434 622 L N 5.417 126.612 121.223 -0.046 0.000 2.298 622 L HA 0.651 4.991 4.340 -0.000 0.000 0.284 622 L C -0.400 176.438 176.870 -0.053 0.000 1.013 622 L CA -0.027 54.781 54.840 -0.052 0.000 0.824 622 L CB 1.028 43.043 42.059 -0.072 0.000 1.221 622 L HN 0.887 nan 8.230 nan 0.000 0.418 623 C N 4.059 123.315 119.300 -0.072 0.000 2.255 623 C HA 0.628 5.088 4.460 -0.000 0.000 0.326 623 C C 1.352 176.444 174.990 0.171 0.000 1.258 623 C CA 0.250 59.301 59.018 0.055 0.000 1.676 623 C CB -0.215 27.569 27.740 0.072 0.000 2.314 623 C HN 0.978 nan 8.230 nan 0.000 0.509 624 T N 4.259 118.895 114.554 0.137 0.000 3.182 624 T HA 0.263 4.613 4.350 -0.000 0.000 0.277 624 T C 0.325 175.139 174.700 0.189 0.000 1.013 624 T CA -0.295 61.902 62.100 0.161 0.000 0.900 624 T CB -0.441 68.472 68.868 0.075 0.000 1.098 624 T HN 0.683 nan 8.240 nan 0.000 0.543 625 L N 2.386 123.721 121.223 0.187 0.000 2.640 625 L HA 0.181 4.521 4.340 -0.000 0.000 0.280 625 L C -2.051 174.835 176.870 0.027 0.000 1.229 625 L CA -1.393 53.519 54.840 0.121 0.000 0.919 625 L CB -0.127 42.019 42.059 0.145 0.000 1.168 625 L HN 0.111 nan 8.230 nan 0.000 0.496 626 P HA -0.100 nan 4.420 nan 0.000 0.267 626 P C 0.434 177.334 177.300 -0.666 0.000 1.200 626 P CA -0.279 62.662 63.100 -0.265 0.000 0.772 626 P CB 0.599 32.237 31.700 -0.103 0.000 0.855 627 L N 3.804 124.337 121.223 -1.150 0.000 2.083 627 L HA -0.039 4.301 4.340 -0.000 0.000 0.209 627 L C 2.163 178.454 176.870 -0.966 0.000 1.083 627 L CA 2.452 56.610 54.840 -1.137 0.000 0.752 627 L CB -1.649 39.848 42.059 -0.936 0.000 0.899 627 L HN 0.506 nan 8.230 nan 0.000 0.433 628 G N -0.993 106.882 108.800 -1.540 0.000 2.450 628 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 628 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 628 G C 1.475 176.203 174.900 -0.288 0.000 1.130 628 G CA 1.126 45.848 45.100 -0.631 0.000 0.760 628 G HN 0.362 nan 8.290 nan 0.000 0.557 629 V N 0.877 120.621 119.914 -0.284 0.000 2.255 629 V HA -0.064 4.056 4.120 -0.000 0.000 0.243 629 V C 2.826 178.867 176.094 -0.088 0.000 1.038 629 V CA 1.286 63.526 62.300 -0.100 0.000 1.008 629 V CB -0.522 31.295 31.823 -0.011 0.000 0.645 629 V HN 0.338 nan 8.190 nan 0.000 0.449 630 L N -0.407 120.733 121.223 -0.138 0.000 2.270 630 L HA -0.258 4.082 4.340 -0.000 0.000 0.217 630 L C 2.428 179.241 176.870 -0.093 0.000 1.107 630 L CA 1.604 56.398 54.840 -0.077 0.000 0.772 630 L CB -0.542 41.417 42.059 -0.166 0.000 0.902 630 L HN 0.366 nan 8.230 nan 0.000 0.439 631 K N -0.598 119.716 120.400 -0.143 0.000 2.262 631 K HA 0.013 4.333 4.320 -0.000 0.000 0.200 631 K C 0.467 177.034 176.600 -0.055 0.000 1.049 631 K CA -0.076 56.145 56.287 -0.109 0.000 0.979 631 K CB 0.189 32.611 32.500 -0.130 0.000 0.773 631 K HN 0.320 nan 8.250 nan 0.000 0.474 632 Q N 1.698 121.473 119.800 -0.042 0.000 2.436 632 Q HA -0.134 4.206 4.340 -0.000 0.000 0.326 632 Q C -0.532 175.460 176.000 -0.014 0.000 1.079 632 Q CA 0.693 56.482 55.803 -0.023 0.000 1.049 632 Q CB 0.253 28.981 28.738 -0.016 0.000 1.047 632 Q HN -0.026 nan 8.270 nan 0.000 0.386 633 Q N 3.751 123.542 119.800 -0.014 0.000 2.333 633 Q HA 0.383 4.723 4.340 -0.000 0.000 0.265 633 Q C -2.212 173.781 176.000 -0.011 0.000 0.989 633 Q CA -1.650 54.147 55.803 -0.010 0.000 0.842 633 Q CB 1.210 29.942 28.738 -0.011 0.000 1.262 633 Q HN 0.388 nan 8.270 nan 0.000 0.451 634 P HA 0.523 nan 4.420 nan 0.000 0.287 634 P C -2.674 174.626 177.300 -0.001 0.000 1.270 634 P CA -1.843 61.255 63.100 -0.004 0.000 0.844 634 P CB 0.431 32.129 31.700 -0.004 0.000 1.068 635 P HA -0.026 nan 4.420 nan 0.000 0.263 635 P C 0.357 177.666 177.300 0.015 0.000 1.175 635 P CA 0.379 63.491 63.100 0.020 0.000 0.761 635 P CB 0.258 31.977 31.700 0.032 0.000 0.794 636 A N 2.955 125.788 122.820 0.022 0.000 2.095 636 A HA 0.175 4.495 4.320 -0.000 0.000 0.212 636 A C 0.585 178.189 177.584 0.032 0.000 1.162 636 A CA 0.880 52.938 52.037 0.035 0.000 0.753 636 A CB 0.164 19.198 19.000 0.056 0.000 0.840 636 A HN 0.408 nan 8.150 nan 0.000 0.468 637 V N 0.454 120.369 119.914 0.002 0.000 2.656 637 V HA 0.344 4.464 4.120 -0.000 0.000 0.307 637 V C -0.691 175.312 176.094 -0.152 0.000 1.051 637 V CA -0.671 61.566 62.300 -0.105 0.000 0.893 637 V CB 1.802 33.519 31.823 -0.176 0.000 0.999 637 V HN 0.471 nan 8.190 nan 0.000 0.426 638 Q N 2.743 122.408 119.800 -0.225 0.000 2.322 638 Q HA 0.541 4.881 4.340 -0.000 0.000 0.265 638 Q C -1.709 174.119 176.000 -0.287 0.000 0.985 638 Q CA -0.477 55.241 55.803 -0.142 0.000 0.849 638 Q CB 1.793 30.492 28.738 -0.066 0.000 1.274 638 Q HN 0.634 nan 8.270 nan 0.000 0.449 639 F N 1.858 121.852 119.950 0.073 0.000 2.408 639 F HA 0.372 4.899 4.527 -0.000 0.000 0.344 639 F C 0.144 175.980 175.800 0.061 0.000 1.112 639 F CA -0.603 57.476 58.000 0.131 0.000 1.096 639 F CB 1.369 40.485 39.000 0.193 0.000 1.129 639 F HN 0.148 nan 8.300 nan 0.000 0.486 640 V N 5.847 125.848 119.914 0.146 0.000 2.398 640 V HA 0.335 4.455 4.120 -0.000 0.000 0.282 640 V C -2.131 173.696 176.094 -0.445 0.000 1.014 640 V CA -1.736 60.518 62.300 -0.078 0.000 0.838 640 V CB 1.634 33.416 31.823 -0.067 0.000 1.018 640 V HN 0.511 nan 8.190 nan 0.000 0.432 641 P HA 0.391 nan 4.420 nan 0.000 0.277 641 P C -2.871 174.473 177.300 0.072 0.000 1.271 641 P CA -2.155 60.868 63.100 -0.129 0.000 0.795 641 P CB 0.144 31.781 31.700 -0.105 0.000 1.101 642 P HA 0.100 nan 4.420 nan 0.000 0.266 642 P C -0.067 177.278 177.300 0.075 0.000 1.195 642 P CA 0.364 63.527 63.100 0.105 0.000 0.768 642 P CB 0.169 31.894 31.700 0.041 0.000 0.838 643 L N 5.122 126.346 121.223 0.001 0.000 2.456 643 L HA 0.168 4.508 4.340 -0.000 0.000 0.272 643 L C -1.509 175.210 176.870 -0.252 0.000 1.189 643 L CA -1.604 53.124 54.840 -0.186 0.000 0.846 643 L CB -0.282 41.541 42.059 -0.393 0.000 1.111 643 L HN 0.290 nan 8.230 nan 0.000 0.475 644 P HA -0.028 nan 4.420 nan 0.000 0.272 644 P C 0.208 177.230 177.300 -0.463 0.000 1.223 644 P CA -0.277 62.601 63.100 -0.370 0.000 0.784 644 P CB 0.668 32.102 31.700 -0.443 0.000 0.923 645 E N 2.669 122.741 120.200 -0.213 0.000 2.118 645 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 645 E C 1.641 178.168 176.600 -0.122 0.000 0.992 645 E CA 1.307 57.626 56.400 -0.136 0.000 0.804 645 E CB -0.437 29.248 29.700 -0.024 0.000 0.741 645 E HN 0.621 nan 8.360 nan 0.000 0.458 646 W N 1.268 122.536 121.300 -0.054 0.000 2.350 646 W HA -0.158 4.502 4.660 -0.000 0.000 0.289 646 W C 1.747 178.206 176.519 -0.100 0.000 1.215 646 W CA 1.170 58.474 57.345 -0.067 0.000 1.236 646 W CB -0.641 28.784 29.460 -0.059 0.000 1.130 646 W HN 0.053 nan 8.180 nan 0.000 0.541 647 K N 2.005 121.932 120.400 -0.789 0.000 2.076 647 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 647 K C 2.348 178.710 176.600 -0.397 0.000 1.051 647 K CA 2.751 58.615 56.287 -0.705 0.000 0.949 647 K CB -0.784 30.995 32.500 -1.201 0.000 0.726 647 K HN 0.098 nan 8.250 nan 0.000 0.443 648 T N -1.999 112.344 114.554 -0.352 0.000 2.951 648 T HA -0.012 4.338 4.350 -0.000 0.000 0.268 648 T C 1.926 176.535 174.700 -0.153 0.000 1.073 648 T CA 1.355 63.315 62.100 -0.233 0.000 1.134 648 T CB -0.328 68.430 68.868 -0.183 0.000 0.884 648 T HN 0.082 nan 8.240 nan 0.000 0.479 649 S N 1.914 117.547 115.700 -0.112 0.000 2.383 649 S HA 0.189 4.659 4.470 -0.000 0.000 0.227 649 S C 2.606 177.164 174.600 -0.070 0.000 1.026 649 S CA 0.768 58.929 58.200 -0.064 0.000 0.981 649 S CB -0.678 62.511 63.200 -0.018 0.000 0.818 649 S HN 0.749 nan 8.310 nan 0.000 0.472 650 A N 1.172 123.946 122.820 -0.076 0.000 1.969 650 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 650 A C 2.275 179.771 177.584 -0.147 0.000 1.169 650 A CA 1.233 53.215 52.037 -0.091 0.000 0.635 650 A CB -0.731 18.227 19.000 -0.070 0.000 0.810 650 A HN 0.348 nan 8.150 nan 0.000 0.445 651 V N -0.517 119.293 119.914 -0.174 0.000 2.427 651 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 651 V C 2.618 178.622 176.094 -0.151 0.000 1.051 651 V CA 2.209 64.395 62.300 -0.190 0.000 1.048 651 V CB -0.801 30.894 31.823 -0.214 0.000 0.666 651 V HN 0.612 nan 8.190 nan 0.000 0.456 652 Q N -0.352 119.378 119.800 -0.117 0.000 2.016 652 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 652 Q C 2.539 178.488 176.000 -0.085 0.000 0.978 652 Q CA 1.700 57.451 55.803 -0.087 0.000 0.833 652 Q CB -0.212 28.488 28.738 -0.063 0.000 0.895 652 Q HN 0.490 nan 8.270 nan 0.000 0.427 653 R N -0.310 120.141 120.500 -0.081 0.000 2.083 653 R HA -0.082 4.258 4.340 -0.000 0.000 0.237 653 R C 0.795 177.035 176.300 -0.099 0.000 1.137 653 R CA 0.669 56.729 56.100 -0.067 0.000 0.951 653 R CB -0.286 29.982 30.300 -0.054 0.000 0.851 653 R HN 0.318 nan 8.270 nan 0.000 0.434 654 M N 0.159 119.669 119.600 -0.151 0.000 2.245 654 M HA 0.006 4.486 4.480 -0.000 0.000 0.312 654 M C 0.684 176.812 176.300 -0.286 0.000 1.070 654 M CA 0.479 55.643 55.300 -0.226 0.000 1.162 654 M CB 0.516 32.945 32.600 -0.284 0.000 1.448 654 M HN 0.142 nan 8.290 nan 0.000 0.446 655 G N 1.412 109.909 108.800 -0.506 0.000 2.388 655 G HA2 0.610 4.570 3.960 -0.000 0.000 0.330 655 G HA3 0.610 4.570 3.960 -0.000 0.000 0.330 655 G C -1.914 172.604 174.900 -0.637 0.000 1.142 655 G CA -0.329 44.191 45.100 -0.967 0.000 0.908 655 G HN 0.564 nan 8.290 nan 0.000 0.473 656 F N 2.519 122.210 119.950 -0.430 0.000 2.577 656 F HA 0.636 5.163 4.527 0.000 0.000 0.344 656 F C 0.513 176.359 175.800 0.078 0.000 1.145 656 F CA -0.798 57.115 58.000 -0.145 0.000 0.996 656 F CB 1.408 40.333 39.000 -0.125 0.000 1.248 656 F HN 0.690 nan 8.300 nan 0.000 0.447 657 G N 3.201 111.906 108.800 -0.159 0.000 2.574 657 G HA2 0.339 4.299 3.960 -0.000 0.000 0.248 657 G HA3 0.339 4.299 3.960 -0.000 0.000 0.248 657 G C -1.331 173.282 174.900 -0.478 0.000 1.422 657 G CA -0.528 44.507 45.100 -0.109 0.000 1.051 657 G HN 0.583 nan 8.290 nan 0.000 0.560 658 N N -1.794 116.674 118.700 -0.387 0.000 2.431 658 N HA 0.507 5.247 4.740 -0.000 0.000 0.275 658 N C -1.623 173.723 175.510 -0.273 0.000 1.091 658 N CA -0.629 52.242 53.050 -0.298 0.000 0.922 658 N CB 1.894 40.303 38.487 -0.130 0.000 1.666 658 N HN 0.792 nan 8.380 nan 0.000 0.484 659 L N 1.243 122.348 121.223 -0.197 0.000 2.505 659 L HA 0.724 5.064 4.340 -0.000 0.000 0.259 659 L C -1.590 175.349 176.870 0.117 0.000 0.952 659 L CA -0.567 54.243 54.840 -0.050 0.000 0.840 659 L CB 1.917 43.940 42.059 -0.061 0.000 1.358 659 L HN 0.414 nan 8.230 nan 0.000 0.409 660 N N 2.007 120.792 118.700 0.143 0.000 2.471 660 N HA 0.585 5.325 4.740 -0.000 0.000 0.288 660 N C -1.331 174.267 175.510 0.148 0.000 1.220 660 N CA -0.712 52.451 53.050 0.189 0.000 0.893 660 N CB 2.223 40.772 38.487 0.104 0.000 1.256 660 N HN 0.625 nan 8.380 nan 0.000 0.534 661 K N 0.467 120.940 120.400 0.121 0.000 2.378 661 K HA 0.533 4.853 4.320 -0.000 0.000 0.252 661 K C -1.183 175.395 176.600 -0.036 0.000 0.931 661 K CA -0.703 55.610 56.287 0.043 0.000 0.794 661 K CB 2.346 34.886 32.500 0.067 0.000 1.181 661 K HN 0.155 nan 8.250 nan 0.000 0.425 662 V N 3.099 122.961 119.914 -0.086 0.000 2.384 662 V HA 0.304 4.424 4.120 -0.000 0.000 0.287 662 V C -0.439 175.567 176.094 -0.148 0.000 1.020 662 V CA -0.933 61.295 62.300 -0.120 0.000 0.850 662 V CB 1.583 33.341 31.823 -0.109 0.000 0.987 662 V HN 0.448 nan 8.190 nan 0.000 0.436 663 V N 6.793 126.586 119.914 -0.202 0.000 2.398 663 V HA 0.476 4.596 4.120 -0.000 0.000 0.286 663 V C -0.214 175.696 176.094 -0.307 0.000 1.026 663 V CA -0.418 61.734 62.300 -0.246 0.000 0.868 663 V CB 1.610 33.232 31.823 -0.335 0.000 0.982 663 V HN 0.649 nan 8.190 nan 0.000 0.443 664 L N 4.933 125.982 121.223 -0.289 0.000 2.316 664 L HA 0.495 4.835 4.340 -0.000 0.000 0.280 664 L C -0.644 175.818 176.870 -0.680 0.000 1.006 664 L CA -0.200 54.359 54.840 -0.469 0.000 0.836 664 L CB 1.510 43.391 42.059 -0.297 0.000 1.221 664 L HN 0.592 nan 8.230 nan 0.000 0.418 665 C N 3.493 122.304 119.300 -0.815 0.000 2.295 665 C HA 0.680 5.140 4.460 -0.000 0.000 0.331 665 C C -0.065 174.494 174.990 -0.718 0.000 1.280 665 C CA -0.595 57.947 59.018 -0.794 0.000 1.746 665 C CB -0.111 26.907 27.740 -1.202 0.000 2.328 665 C HN 0.457 nan 8.230 nan 0.000 0.521 666 F N 1.564 121.592 119.950 0.130 0.000 2.611 666 F HA 0.363 4.890 4.527 0.000 0.000 0.324 666 F C 1.457 177.408 175.800 0.252 0.000 1.061 666 F CA -1.030 57.100 58.000 0.217 0.000 0.954 666 F CB 0.949 40.137 39.000 0.312 0.000 1.301 666 F HN 0.571 nan 8.300 nan 0.000 0.482 667 D N 0.085 120.740 120.400 0.424 0.000 2.269 667 D HA -0.055 4.585 4.640 -0.000 0.000 0.208 667 D C 0.177 176.592 176.300 0.192 0.000 0.963 667 D CA 0.745 54.906 54.000 0.269 0.000 0.864 667 D CB 0.276 41.192 40.800 0.193 0.000 0.936 667 D HN 0.546 nan 8.370 nan 0.000 0.505 668 R N -0.408 120.201 120.500 0.181 0.000 2.680 668 R HA 0.470 4.810 4.340 -0.000 0.000 0.269 668 R C -1.417 174.740 176.300 -0.237 0.000 1.026 668 R CA -0.883 55.218 56.100 0.001 0.000 0.889 668 R CB 1.215 31.503 30.300 -0.020 0.000 1.241 668 R HN -0.193 nan 8.270 nan 0.000 0.463 669 V N 3.495 123.131 119.914 -0.464 0.000 2.479 669 V HA 0.107 4.226 4.120 -0.000 0.000 0.281 669 V C 0.271 175.790 176.094 -0.958 0.000 1.031 669 V CA 0.065 61.681 62.300 -1.141 0.000 1.038 669 V CB -0.227 31.091 31.823 -0.842 0.000 0.981 669 V HN 0.742 nan 8.190 nan 0.000 0.478 670 F N 3.643 122.845 119.950 -1.247 0.000 2.735 670 F HA 0.536 5.063 4.527 -0.000 0.000 0.308 670 F C -0.291 175.088 175.800 -0.703 0.000 1.112 670 F CA -1.688 55.901 58.000 -0.685 0.000 1.235 670 F CB -0.490 38.221 39.000 -0.482 0.000 1.027 670 F HN 0.454 nan 8.300 nan 0.000 0.528 671 W N -0.813 120.143 121.300 -0.575 0.000 3.207 671 W HA 0.588 5.247 4.660 -0.000 0.000 0.326 671 W C -0.798 175.586 176.519 -0.226 0.000 1.190 671 W CA -1.453 55.445 57.345 -0.744 0.000 1.011 671 W CB -0.163 28.849 29.460 -0.746 0.000 1.511 671 W HN -0.196 nan 8.180 nan 0.000 0.606 672 D N 1.570 122.123 120.400 0.255 0.000 2.359 672 D HA 0.197 4.837 4.640 -0.000 0.000 0.250 672 D C -1.426 175.016 176.300 0.238 0.000 1.264 672 D CA -2.067 52.051 54.000 0.197 0.000 0.911 672 D CB 1.222 42.146 40.800 0.207 0.000 1.056 672 D HN -0.016 nan 8.370 nan 0.000 0.499 673 P HA -0.127 nan 4.420 nan 0.000 0.219 673 P C 0.937 178.325 177.300 0.147 0.000 1.146 673 P CA 0.990 64.148 63.100 0.097 0.000 0.808 673 P CB 0.155 31.849 31.700 -0.010 0.000 0.779 674 S N -2.592 113.182 115.700 0.123 0.000 2.631 674 S HA 0.163 4.633 4.470 -0.000 0.000 0.217 674 S C 0.526 175.203 174.600 0.128 0.000 0.958 674 S CA -0.236 58.029 58.200 0.107 0.000 0.920 674 S CB -0.538 62.708 63.200 0.076 0.000 0.776 674 S HN -0.132 nan 8.310 nan 0.000 0.517 675 V N 1.747 121.768 119.914 0.180 0.000 2.604 675 V HA 0.398 4.518 4.120 -0.000 0.000 0.305 675 V C -0.056 176.166 176.094 0.213 0.000 1.043 675 V CA -0.833 61.579 62.300 0.186 0.000 0.888 675 V CB 2.014 33.960 31.823 0.205 0.000 0.995 675 V HN 0.312 nan 8.190 nan 0.000 0.429 676 N N 2.964 121.749 118.700 0.142 0.000 2.454 676 N HA 0.337 5.077 4.740 -0.000 0.000 0.177 676 N C -0.171 175.335 175.510 -0.008 0.000 1.049 676 N CA 0.209 53.318 53.050 0.099 0.000 0.887 676 N CB 0.430 38.966 38.487 0.082 0.000 1.095 676 N HN 0.575 nan 8.380 nan 0.000 0.446 677 L N -1.518 119.670 121.223 -0.060 0.000 2.303 677 L HA 0.749 5.089 4.340 -0.000 0.000 0.256 677 L C -1.522 175.358 176.870 0.017 0.000 1.034 677 L CA -1.364 53.300 54.840 -0.294 0.000 0.832 677 L CB 1.641 43.330 42.059 -0.617 0.000 1.403 677 L HN -0.040 nan 8.230 nan 0.000 0.419 678 F N -1.819 118.077 119.950 -0.091 0.000 2.655 678 F HA 0.659 5.186 4.527 0.000 0.000 0.324 678 F C -0.179 175.687 175.800 0.110 0.000 1.081 678 F CA -0.752 57.271 58.000 0.037 0.000 1.088 678 F CB 0.188 39.278 39.000 0.150 0.000 1.327 678 F HN 0.726 nan 8.300 nan 0.000 0.522 679 G N 1.844 110.805 108.800 0.267 0.000 2.634 679 G HA2 0.379 4.338 3.960 -0.000 0.000 0.255 679 G HA3 0.379 4.338 3.960 -0.000 0.000 0.255 679 G C -1.461 173.716 174.900 0.462 0.000 1.205 679 G CA -0.356 44.926 45.100 0.304 0.000 0.884 679 G HN 1.148 nan 8.290 nan 0.000 0.549 680 H N -0.034 119.293 119.070 0.429 0.000 2.744 680 H HA 0.375 4.931 4.556 -0.000 0.000 0.339 680 H C -0.975 174.584 175.328 0.385 0.000 1.004 680 H CA -0.611 55.649 56.048 0.353 0.000 1.257 680 H CB 1.602 31.604 29.762 0.399 0.000 1.552 680 H HN 0.241 nan 8.280 nan 0.000 0.522 681 V N 4.492 124.244 119.914 -0.270 0.000 2.614 681 V HA 0.300 4.420 4.120 -0.000 0.000 0.291 681 V C 1.422 177.237 176.094 -0.464 0.000 1.049 681 V CA 0.145 62.341 62.300 -0.172 0.000 1.038 681 V CB 1.163 32.897 31.823 -0.149 0.000 0.980 681 V HN 0.861 nan 8.190 nan 0.000 0.481 682 G N 2.580 111.323 108.800 -0.096 0.000 2.557 682 G HA2 0.382 4.342 3.960 -0.000 0.000 0.292 682 G HA3 0.382 4.342 3.960 -0.000 0.000 0.292 682 G C 0.812 175.722 174.900 0.015 0.000 1.237 682 G CA -0.001 45.111 45.100 0.019 0.000 0.978 682 G HN 0.662 nan 8.290 nan 0.000 0.498 683 S N -1.105 114.639 115.700 0.073 0.000 2.404 683 S HA 0.083 4.553 4.470 -0.000 0.000 0.223 683 S C 1.218 175.847 174.600 0.049 0.000 1.040 683 S CA 1.008 59.240 58.200 0.054 0.000 0.957 683 S CB 0.027 63.268 63.200 0.069 0.000 0.826 683 S HN 0.761 nan 8.310 nan 0.000 0.491 684 T N 0.382 114.971 114.554 0.058 0.000 2.949 684 T HA 0.321 4.671 4.350 -0.000 0.000 0.287 684 T C 1.104 175.835 174.700 0.053 0.000 1.034 684 T CA -0.563 61.567 62.100 0.050 0.000 1.018 684 T CB 1.080 69.975 68.868 0.044 0.000 1.135 684 T HN -0.090 nan 8.240 nan 0.000 0.532 685 T N 1.461 116.044 114.554 0.049 0.000 2.720 685 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 685 T C 2.283 177.000 174.700 0.028 0.000 1.037 685 T CA 1.654 63.783 62.100 0.049 0.000 1.144 685 T CB -0.682 68.212 68.868 0.043 0.000 0.864 685 T HN 0.715 nan 8.240 nan 0.000 0.444 686 A N 1.388 124.223 122.820 0.024 0.000 1.933 686 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 686 A C 2.297 179.890 177.584 0.014 0.000 1.175 686 A CA 1.898 53.942 52.037 0.012 0.000 0.628 686 A CB -0.495 18.513 19.000 0.014 0.000 0.814 686 A HN 0.586 nan 8.150 nan 0.000 0.444 687 S N -0.188 115.534 115.700 0.036 0.000 2.614 687 S HA 0.073 4.543 4.470 -0.000 0.000 0.230 687 S C 1.503 176.139 174.600 0.060 0.000 0.952 687 S CA 0.266 58.498 58.200 0.052 0.000 0.949 687 S CB -0.360 62.891 63.200 0.084 0.000 0.786 687 S HN 0.728 nan 8.310 nan 0.000 0.478 688 R N 1.097 121.612 120.500 0.026 0.000 2.133 688 R HA -0.072 4.268 4.340 -0.000 0.000 0.247 688 R C 1.817 178.085 176.300 -0.052 0.000 1.151 688 R CA 1.869 57.977 56.100 0.013 0.000 0.971 688 R CB -1.245 29.056 30.300 0.001 0.000 0.866 688 R HN 0.415 nan 8.270 nan 0.000 0.447 689 G N 0.788 109.513 108.800 -0.126 0.000 3.042 689 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.212 689 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.212 689 G C -0.121 174.790 174.900 0.018 0.000 1.166 689 G CA -0.401 44.548 45.100 -0.251 0.000 0.767 689 G HN 0.478 nan 8.290 nan 0.000 0.546 690 E N 0.920 121.186 120.200 0.109 0.000 2.217 690 E HA 0.297 4.647 4.350 -0.000 0.000 0.279 690 E C 0.627 177.360 176.600 0.222 0.000 1.068 690 E CA -0.568 55.914 56.400 0.136 0.000 0.882 690 E CB -0.036 29.736 29.700 0.120 0.000 1.039 690 E HN 0.162 nan 8.360 nan 0.000 0.418 691 L N 4.934 126.250 121.223 0.156 0.000 3.851 691 L HA -0.289 4.051 4.340 -0.000 0.000 0.438 691 L C 0.743 177.753 176.870 0.234 0.000 1.171 691 L CA 0.141 55.020 54.840 0.066 0.000 0.895 691 L CB -1.782 40.294 42.059 0.028 0.000 1.800 691 L HN 0.669 nan 8.230 nan 0.000 0.960 692 F N -0.477 119.533 119.950 0.100 0.000 2.771 692 F HA 0.445 4.972 4.527 -0.000 0.000 0.299 692 F C 0.364 176.335 175.800 0.284 0.000 1.177 692 F CA -0.013 58.132 58.000 0.243 0.000 1.450 692 F CB 0.111 39.112 39.000 0.001 0.000 1.114 692 F HN 0.079 nan 8.300 nan 0.000 0.587 693 L N 0.394 121.304 121.223 -0.522 0.000 2.611 693 L HA 0.543 4.883 4.340 -0.000 0.000 0.260 693 L C -2.090 174.424 176.870 -0.595 0.000 0.924 693 L CA -1.247 53.183 54.840 -0.684 0.000 0.901 693 L CB 1.200 42.313 42.059 -1.577 0.000 1.369 693 L HN -0.054 nan 8.230 nan 0.000 0.415 694 F N 2.953 122.495 119.950 -0.679 0.000 2.538 694 F HA 0.769 5.296 4.527 0.000 0.000 0.325 694 F C -1.033 174.363 175.800 -0.674 0.000 1.066 694 F CA -0.205 57.392 58.000 -0.672 0.000 0.946 694 F CB 1.980 40.295 39.000 -1.142 0.000 1.199 694 F HN 0.365 nan 8.300 nan 0.000 0.473 695 W N 1.637 122.735 121.300 -0.336 0.000 2.715 695 W HA 0.364 5.024 4.660 0.000 0.000 0.331 695 W C -0.599 175.788 176.519 -0.221 0.000 1.031 695 W CA -1.015 56.182 57.345 -0.246 0.000 1.237 695 W CB 1.080 30.433 29.460 -0.178 0.000 1.378 695 W HN 0.276 nan 8.180 nan 0.000 0.454 696 N N 3.808 122.523 118.700 0.024 0.000 2.500 696 N HA 0.313 5.053 4.740 -0.000 0.000 0.236 696 N C -0.417 175.158 175.510 0.108 0.000 1.022 696 N CA 0.068 53.142 53.050 0.040 0.000 0.935 696 N CB 0.603 39.167 38.487 0.128 0.000 1.147 696 N HN 0.658 nan 8.380 nan 0.000 0.512 697 L N 2.181 123.422 121.223 0.029 0.000 2.803 697 L HA 0.325 4.665 4.340 -0.000 0.000 0.246 697 L C -0.274 176.451 176.870 -0.241 0.000 1.100 697 L CA -0.075 54.648 54.840 -0.194 0.000 0.919 697 L CB 0.215 41.938 42.059 -0.560 0.000 1.285 697 L HN 0.400 nan 8.230 nan 0.000 0.522 698 Y N -0.300 120.096 120.300 0.161 0.000 2.568 698 Y HA 0.218 4.768 4.550 -0.000 0.000 0.327 698 Y C 1.243 177.238 175.900 0.158 0.000 1.163 698 Y CA -0.753 57.435 58.100 0.147 0.000 1.219 698 Y CB 1.061 39.610 38.460 0.149 0.000 1.308 698 Y HN -0.225 nan 8.280 nan 0.000 0.503 699 K N 1.139 121.729 120.400 0.318 0.000 2.001 699 K HA 0.016 4.336 4.320 -0.000 0.000 0.208 699 K C 0.736 177.459 176.600 0.204 0.000 1.048 699 K CA 1.049 57.458 56.287 0.204 0.000 0.932 699 K CB -0.258 32.329 32.500 0.145 0.000 0.715 699 K HN 0.619 nan 8.250 nan 0.000 0.437 700 A N 2.522 125.475 122.820 0.222 0.000 2.386 700 A HA 0.131 4.451 4.320 -0.000 0.000 0.246 700 A C -2.106 175.695 177.584 0.361 0.000 1.089 700 A CA -1.096 51.079 52.037 0.231 0.000 0.790 700 A CB -0.402 18.713 19.000 0.192 0.000 1.042 700 A HN 0.091 nan 8.150 nan 0.000 0.497 701 P HA 0.173 nan 4.420 nan 0.000 0.244 701 P C -1.008 176.680 177.300 0.647 0.000 1.723 701 P CA 0.816 64.248 63.100 0.554 0.000 1.110 701 P CB -0.585 31.358 31.700 0.406 0.000 1.972 702 I N 2.612 123.496 120.570 0.523 0.000 2.436 702 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 702 I C 0.339 176.508 176.117 0.087 0.000 1.010 702 I CA -0.940 60.519 61.300 0.265 0.000 1.098 702 I CB 2.140 40.284 38.000 0.241 0.000 1.266 702 I HN -0.037 nan 8.210 nan 0.000 0.434 703 L N 6.541 127.680 121.223 -0.141 0.000 2.325 703 L HA 0.629 4.969 4.340 -0.000 0.000 0.278 703 L C -0.846 175.988 176.870 -0.060 0.000 1.023 703 L CA -0.768 53.930 54.840 -0.235 0.000 0.811 703 L CB 2.165 43.995 42.059 -0.382 0.000 1.249 703 L HN 0.468 nan 8.230 nan 0.000 0.431 704 L N 2.587 123.805 121.223 -0.009 0.000 2.409 704 L HA 0.810 5.150 4.340 -0.000 0.000 0.272 704 L C -0.891 175.912 176.870 -0.111 0.000 0.980 704 L CA -0.309 54.509 54.840 -0.036 0.000 0.826 704 L CB 1.793 43.855 42.059 0.005 0.000 1.268 704 L HN 0.715 nan 8.230 nan 0.000 0.407 705 A N 4.880 127.537 122.820 -0.273 0.000 2.343 705 A HA 0.677 4.997 4.320 -0.000 0.000 0.316 705 A C -1.224 176.195 177.584 -0.275 0.000 1.104 705 A CA -0.606 51.097 52.037 -0.556 0.000 0.768 705 A CB 1.299 19.571 19.000 -1.213 0.000 1.213 705 A HN 0.523 nan 8.150 nan 0.000 0.456 706 L N 2.063 123.177 121.223 -0.182 0.000 2.416 706 L HA 0.334 4.674 4.340 -0.000 0.000 0.272 706 L C 0.030 176.968 176.870 0.114 0.000 1.161 706 L CA 0.333 55.204 54.840 0.052 0.000 0.845 706 L CB 1.143 43.310 42.059 0.181 0.000 1.119 706 L HN 0.412 nan 8.230 nan 0.000 0.464 707 V N 3.705 123.692 119.914 0.122 0.000 2.409 707 V HA 0.864 4.984 4.120 -0.000 0.000 0.291 707 V C 0.242 176.394 176.094 0.097 0.000 1.020 707 V CA -0.440 61.923 62.300 0.106 0.000 0.848 707 V CB 1.049 32.901 31.823 0.049 0.000 0.990 707 V HN 0.968 nan 8.190 nan 0.000 0.430 708 A N 3.557 126.394 122.820 0.028 0.000 2.475 708 A HA 1.040 5.360 4.320 -0.000 0.000 0.281 708 A C 0.581 178.083 177.584 -0.138 0.000 1.263 708 A CA -0.065 51.938 52.037 -0.056 0.000 0.776 708 A CB 0.992 19.925 19.000 -0.111 0.000 1.347 708 A HN 2.028 nan 8.150 nan 0.000 0.443 709 G N -0.444 108.255 108.800 -0.169 0.000 2.574 709 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.282 709 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.282 709 G C 0.610 175.435 174.900 -0.124 0.000 1.257 709 G CA 0.614 45.611 45.100 -0.172 0.000 0.956 709 G HN 0.820 nan 8.290 nan 0.000 0.560 710 E N 0.024 120.160 120.200 -0.108 0.000 2.171 710 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 710 E C 2.983 179.552 176.600 -0.052 0.000 0.997 710 E CA 1.977 58.332 56.400 -0.074 0.000 0.810 710 E CB -0.720 28.943 29.700 -0.062 0.000 0.738 710 E HN 0.880 nan 8.360 nan 0.000 0.467 711 A N 1.701 124.492 122.820 -0.049 0.000 1.877 711 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 711 A C 2.487 180.061 177.584 -0.018 0.000 1.186 711 A CA 2.222 54.245 52.037 -0.023 0.000 0.620 711 A CB -0.756 18.238 19.000 -0.010 0.000 0.822 711 A HN 0.282 nan 8.150 nan 0.000 0.443 712 A N -0.430 122.374 122.820 -0.026 0.000 1.882 712 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 712 A C 2.541 180.118 177.584 -0.012 0.000 1.253 712 A CA 2.739 54.768 52.037 -0.014 0.000 0.664 712 A CB -1.731 17.249 19.000 -0.033 0.000 0.838 712 A HN 1.036 nan 8.150 nan 0.000 0.460 713 G N -0.526 108.260 108.800 -0.023 0.000 2.442 713 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.219 713 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.219 713 G C 1.437 176.330 174.900 -0.012 0.000 1.141 713 G CA 1.289 46.379 45.100 -0.016 0.000 0.763 713 G HN 0.627 nan 8.290 nan 0.000 0.554 714 I N -0.129 120.434 120.570 -0.012 0.000 2.703 714 I HA 0.045 4.215 4.170 -0.000 0.000 0.259 714 I C 2.388 178.501 176.117 -0.006 0.000 1.151 714 I CA 0.243 61.538 61.300 -0.008 0.000 1.470 714 I CB -0.251 37.745 38.000 -0.006 0.000 1.112 714 I HN 0.014 nan 8.210 nan 0.000 0.437 715 M N 0.917 120.514 119.600 -0.005 0.000 2.446 715 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 715 M C 1.912 178.203 176.300 -0.014 0.000 1.066 715 M CA 1.405 56.702 55.300 -0.005 0.000 1.087 715 M CB -1.068 31.532 32.600 -0.000 0.000 1.406 715 M HN 0.329 nan 8.290 nan 0.000 0.459 716 E N 0.374 120.564 120.200 -0.016 0.000 2.106 716 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 716 E C 1.436 178.019 176.600 -0.028 0.000 0.984 716 E CA 0.891 57.275 56.400 -0.026 0.000 0.806 716 E CB -0.215 29.471 29.700 -0.023 0.000 0.750 716 E HN 0.492 nan 8.360 nan 0.000 0.458 717 N N 0.173 118.861 118.700 -0.020 0.000 2.573 717 N HA 0.001 4.741 4.740 -0.000 0.000 0.187 717 N C 0.103 175.603 175.510 -0.016 0.000 1.107 717 N CA 0.532 53.571 53.050 -0.018 0.000 0.918 717 N CB 0.170 38.648 38.487 -0.013 0.000 0.966 717 N HN 0.085 nan 8.380 nan 0.000 0.448 718 I N -0.292 120.269 120.570 -0.015 0.000 2.498 718 I HA 0.138 4.308 4.170 -0.000 0.000 0.301 718 I C 0.586 176.692 176.117 -0.018 0.000 0.984 718 I CA -0.825 60.468 61.300 -0.012 0.000 1.204 718 I CB 1.553 39.549 38.000 -0.006 0.000 1.362 718 I HN -0.000 nan 8.210 nan 0.000 0.471 719 S N 2.863 118.554 115.700 -0.016 0.000 2.596 719 S HA 0.062 4.532 4.470 -0.000 0.000 0.260 719 S C 0.666 175.252 174.600 -0.023 0.000 1.336 719 S CA -0.438 57.749 58.200 -0.020 0.000 0.993 719 S CB 0.862 64.053 63.200 -0.015 0.000 0.923 719 S HN 0.587 nan 8.310 nan 0.000 0.567 720 D N 1.024 121.405 120.400 -0.031 0.000 2.144 720 D HA -0.090 4.550 4.640 -0.000 0.000 0.199 720 D C 1.358 177.642 176.300 -0.027 0.000 0.984 720 D CA 1.398 55.374 54.000 -0.039 0.000 0.834 720 D CB -0.400 40.369 40.800 -0.053 0.000 0.955 720 D HN 0.643 nan 8.370 nan 0.000 0.465 721 D N 0.740 121.130 120.400 -0.016 0.000 2.077 721 D HA -0.093 4.547 4.640 -0.000 0.000 0.196 721 D C 2.379 178.682 176.300 0.006 0.000 0.986 721 D CA 0.504 54.502 54.000 -0.004 0.000 0.829 721 D CB -0.575 40.225 40.800 -0.000 0.000 0.983 721 D HN 0.063 nan 8.370 nan 0.000 0.453 722 V N 1.331 121.247 119.914 0.004 0.000 2.546 722 V HA -0.230 3.890 4.120 -0.000 0.000 0.254 722 V C 2.443 178.545 176.094 0.013 0.000 1.076 722 V CA 1.146 63.452 62.300 0.010 0.000 1.087 722 V CB -0.403 31.424 31.823 0.007 0.000 0.674 722 V HN 0.164 nan 8.190 nan 0.000 0.470 723 I N -0.826 119.747 120.570 0.005 0.000 2.296 723 I HA -0.121 4.049 4.170 -0.000 0.000 0.242 723 I C 2.245 178.374 176.117 0.019 0.000 1.087 723 I CA 0.906 62.210 61.300 0.007 0.000 1.393 723 I CB -0.121 37.872 38.000 -0.011 0.000 1.093 723 I HN 0.098 nan 8.210 nan 0.000 0.421 724 V N 1.029 120.950 119.914 0.012 0.000 2.594 724 V HA -0.211 3.909 4.120 -0.000 0.000 0.253 724 V C 2.470 178.602 176.094 0.064 0.000 1.069 724 V CA 1.919 64.238 62.300 0.031 0.000 1.082 724 V CB -1.606 30.221 31.823 0.007 0.000 0.680 724 V HN 0.590 nan 8.190 nan 0.000 0.469 725 G N 0.518 109.347 108.800 0.048 0.000 2.511 725 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 725 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 725 G C 1.667 176.604 174.900 0.062 0.000 1.218 725 G CA 0.874 46.006 45.100 0.053 0.000 0.788 725 G HN 0.445 nan 8.290 nan 0.000 0.560 726 R N -0.731 119.801 120.500 0.053 0.000 2.139 726 R HA -0.104 4.236 4.340 -0.000 0.000 0.243 726 R C 2.610 178.956 176.300 0.077 0.000 1.145 726 R CA 1.098 57.230 56.100 0.053 0.000 0.976 726 R CB -0.866 29.460 30.300 0.045 0.000 0.866 726 R HN 0.396 nan 8.270 nan 0.000 0.449 727 C N 0.750 120.117 119.300 0.112 0.000 2.436 727 C HA -0.064 4.396 4.460 -0.000 0.000 0.277 727 C C 2.639 177.759 174.990 0.217 0.000 1.241 727 C CA 0.688 59.829 59.018 0.204 0.000 1.721 727 C CB -0.870 26.992 27.740 0.204 0.000 2.043 727 C HN 0.429 nan 8.230 nan 0.000 0.472 728 L N 0.902 122.236 121.223 0.184 0.000 2.012 728 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 728 L C 2.863 179.788 176.870 0.092 0.000 1.073 728 L CA 1.628 56.569 54.840 0.167 0.000 0.748 728 L CB -1.097 41.050 42.059 0.147 0.000 0.891 728 L HN 0.402 nan 8.230 nan 0.000 0.431 729 A N 0.958 123.819 122.820 0.068 0.000 1.879 729 A HA -0.333 3.987 4.320 -0.000 0.000 0.222 729 A C 2.188 179.788 177.584 0.026 0.000 1.368 729 A CA 2.623 54.683 52.037 0.039 0.000 0.707 729 A CB -1.186 17.838 19.000 0.039 0.000 0.846 729 A HN 0.351 nan 8.150 nan 0.000 0.468 730 I N -0.382 120.197 120.570 0.016 0.000 2.145 730 I HA -0.328 3.842 4.170 -0.000 0.000 0.244 730 I C 2.508 178.600 176.117 -0.041 0.000 1.075 730 I CA 1.682 62.962 61.300 -0.034 0.000 1.332 730 I CB -0.316 37.596 38.000 -0.147 0.000 1.033 730 I HN 0.386 nan 8.210 nan 0.000 0.410 731 L N -0.078 121.160 121.223 0.026 0.000 2.017 731 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 731 L C 2.556 179.472 176.870 0.076 0.000 1.073 731 L CA 1.476 56.390 54.840 0.123 0.000 0.745 731 L CB -0.649 41.605 42.059 0.326 0.000 0.894 731 L HN 0.158 nan 8.230 nan 0.000 0.432 732 K N 0.253 120.648 120.400 -0.008 0.000 2.000 732 K HA -0.211 4.109 4.320 -0.000 0.000 0.218 732 K C 2.096 178.658 176.600 -0.065 0.000 1.053 732 K CA 1.654 57.903 56.287 -0.062 0.000 0.946 732 K CB -0.966 31.505 32.500 -0.050 0.000 0.723 732 K HN 0.409 nan 8.250 nan 0.000 0.446 733 G N 1.214 109.983 108.800 -0.051 0.000 2.745 733 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.225 733 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.225 733 G C 1.441 176.257 174.900 -0.140 0.000 1.108 733 G CA 1.735 46.799 45.100 -0.060 0.000 0.749 733 G HN 0.285 nan 8.290 nan 0.000 0.625 734 I N -1.986 118.428 120.570 -0.260 0.000 3.526 734 I HA 0.283 4.453 4.170 -0.000 0.000 0.294 734 I C 1.113 176.771 176.117 -0.765 0.000 1.229 734 I CA 0.160 61.096 61.300 -0.607 0.000 1.408 734 I CB 0.417 37.791 38.000 -1.044 0.000 1.127 734 I HN 0.115 nan 8.210 nan 0.000 0.439 735 F N 0.470 120.309 119.950 -0.184 0.000 2.746 735 F HA 0.512 5.039 4.527 -0.000 0.000 0.320 735 F C 0.881 176.585 175.800 -0.160 0.000 1.097 735 F CA -0.218 57.691 58.000 -0.151 0.000 1.195 735 F CB 0.650 39.595 39.000 -0.092 0.000 1.056 735 F HN -0.083 nan 8.300 nan 0.000 0.562 736 G N 0.463 109.244 108.800 -0.032 0.000 3.055 736 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.686 736 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.686 736 G C 0.541 175.386 174.900 -0.093 0.000 1.087 736 G CA -0.237 44.828 45.100 -0.057 0.000 0.779 736 G HN 0.030 nan 8.290 nan 0.000 0.599 737 S N 0.310 115.965 115.700 -0.076 0.000 2.428 737 S HA -0.205 4.265 4.470 -0.000 0.000 0.240 737 S C 2.447 176.987 174.600 -0.101 0.000 1.036 737 S CA 2.919 61.072 58.200 -0.078 0.000 1.009 737 S CB -0.151 63.019 63.200 -0.049 0.000 0.803 737 S HN 1.983 nan 8.310 nan 0.000 0.486 738 S N -0.760 114.878 115.700 -0.103 0.000 2.539 738 S HA 0.518 4.988 4.470 -0.000 0.000 0.221 738 S C 1.472 175.982 174.600 -0.150 0.000 0.987 738 S CA 0.270 58.407 58.200 -0.105 0.000 0.929 738 S CB 0.454 63.613 63.200 -0.067 0.000 0.832 738 S HN 0.465 nan 8.310 nan 0.000 0.492 739 A N 1.147 123.845 122.820 -0.203 0.000 2.169 739 A HA 0.452 4.772 4.320 -0.000 0.000 0.212 739 A C 0.749 177.971 177.584 -0.603 0.000 1.153 739 A CA 0.322 52.189 52.037 -0.283 0.000 0.756 739 A CB -0.102 18.777 19.000 -0.201 0.000 0.813 739 A HN 0.382 nan 8.150 nan 0.000 0.471 740 V N 3.463 122.981 119.914 -0.659 0.000 2.288 740 V HA 0.263 4.383 4.120 -0.000 0.000 0.266 740 V C -2.241 173.631 176.094 -0.371 0.000 1.048 740 V CA -1.550 60.210 62.300 -0.901 0.000 0.842 740 V CB 0.867 32.290 31.823 -0.666 0.000 1.064 740 V HN 0.328 nan 8.190 nan 0.000 0.472 741 P HA 0.279 nan 4.420 nan 0.000 0.278 741 P C -0.610 176.789 177.300 0.166 0.000 1.266 741 P CA -0.747 62.347 63.100 -0.010 0.000 0.807 741 P CB 0.735 32.467 31.700 0.053 0.000 1.094 742 Q N 1.360 121.260 119.800 0.167 0.000 2.263 742 Q HA 0.137 4.477 4.340 -0.000 0.000 0.289 742 Q C -1.854 174.335 176.000 0.315 0.000 1.061 742 Q CA -1.092 54.835 55.803 0.208 0.000 0.927 742 Q CB -0.631 28.180 28.738 0.121 0.000 1.154 742 Q HN 0.344 nan 8.270 nan 0.000 0.378 743 P HA 0.094 nan 4.420 nan 0.000 0.276 743 P C 0.327 177.626 177.300 -0.002 0.000 1.235 743 P CA -0.297 62.867 63.100 0.106 0.000 0.772 743 P CB 1.010 32.610 31.700 -0.166 0.000 0.871 744 K N 1.457 121.847 120.400 -0.016 0.000 2.002 744 K HA -0.050 4.270 4.320 -0.000 0.000 0.209 744 K C 0.694 177.250 176.600 -0.074 0.000 1.048 744 K CA 1.533 57.822 56.287 0.003 0.000 0.930 744 K CB 0.139 32.690 32.500 0.085 0.000 0.714 744 K HN 0.563 nan 8.250 nan 0.000 0.438 745 E N 0.511 120.575 120.200 -0.227 0.000 2.266 745 E HA 0.247 4.596 4.350 -0.000 0.000 0.268 745 E C -0.732 175.666 176.600 -0.336 0.000 0.879 745 E CA -0.340 55.924 56.400 -0.225 0.000 0.762 745 E CB 2.320 31.903 29.700 -0.195 0.000 1.199 745 E HN 0.178 nan 8.360 nan 0.000 0.422 746 T N -1.702 112.686 114.554 -0.278 0.000 2.916 746 T HA 0.681 5.031 4.350 -0.000 0.000 0.298 746 T C -0.523 173.970 174.700 -0.344 0.000 1.031 746 T CA -0.705 61.206 62.100 -0.316 0.000 0.993 746 T CB 1.080 69.828 68.868 -0.200 0.000 1.045 746 T HN 0.089 nan 8.240 nan 0.000 0.454 747 V N 2.076 121.731 119.914 -0.431 0.000 2.735 747 V HA 0.795 4.915 4.120 -0.000 0.000 0.310 747 V C -0.614 175.330 176.094 -0.250 0.000 1.061 747 V CA -0.960 61.111 62.300 -0.381 0.000 0.913 747 V CB 2.049 33.511 31.823 -0.602 0.000 1.005 747 V HN 0.932 nan 8.190 nan 0.000 0.428 748 V N 2.367 122.172 119.914 -0.181 0.000 2.482 748 V HA 0.464 4.584 4.120 -0.000 0.000 0.295 748 V C 0.331 176.334 176.094 -0.152 0.000 1.026 748 V CA -0.471 61.744 62.300 -0.140 0.000 0.856 748 V CB 1.795 33.553 31.823 -0.107 0.000 1.001 748 V HN 1.059 nan 8.190 nan 0.000 0.424 749 S N 5.208 120.819 115.700 -0.148 0.000 2.579 749 S HA 0.506 4.976 4.470 -0.000 0.000 0.275 749 S C 0.072 174.519 174.600 -0.254 0.000 1.345 749 S CA -0.365 57.674 58.200 -0.269 0.000 1.031 749 S CB 0.699 63.800 63.200 -0.165 0.000 0.892 749 S HN 0.733 nan 8.310 nan 0.000 0.529 750 R N 2.035 122.293 120.500 -0.405 0.000 2.687 750 R HA 0.185 4.525 4.340 -0.000 0.000 0.264 750 R C -0.410 175.770 176.300 -0.199 0.000 1.715 750 R CA -0.255 55.715 56.100 -0.216 0.000 1.633 750 R CB 0.108 30.311 30.300 -0.161 0.000 1.353 750 R HN 0.875 nan 8.270 nan 0.000 0.653 751 W N 0.290 121.578 121.300 -0.020 0.000 2.388 751 W HA -0.109 4.551 4.660 -0.000 0.000 0.294 751 W C 2.231 178.748 176.519 -0.002 0.000 1.212 751 W CA 0.576 57.918 57.345 -0.006 0.000 1.271 751 W CB 0.082 29.528 29.460 -0.023 0.000 1.126 751 W HN 0.280 nan 8.180 nan 0.000 0.535 752 R N 0.997 121.604 120.500 0.178 0.000 2.152 752 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 752 R C 1.981 178.316 176.300 0.059 0.000 1.117 752 R CA 1.766 57.933 56.100 0.112 0.000 0.981 752 R CB -0.793 29.541 30.300 0.057 0.000 0.870 752 R HN 0.106 nan 8.270 nan 0.000 0.451 753 A N 0.081 122.907 122.820 0.009 0.000 1.874 753 A HA -0.037 4.283 4.320 -0.000 0.000 0.214 753 A C 0.547 178.084 177.584 -0.080 0.000 1.189 753 A CA 0.645 52.655 52.037 -0.046 0.000 0.615 753 A CB -0.627 18.330 19.000 -0.072 0.000 0.830 753 A HN 0.400 nan 8.150 nan 0.000 0.443 754 D N 0.837 121.190 120.400 -0.079 0.000 2.793 754 D HA -0.039 4.601 4.640 -0.000 0.000 0.230 754 D C -1.306 174.917 176.300 -0.129 0.000 1.139 754 D CA -0.905 53.032 54.000 -0.104 0.000 0.838 754 D CB 0.814 41.599 40.800 -0.025 0.000 1.149 754 D HN 0.200 nan 8.370 nan 0.000 0.526 755 P HA -0.088 nan 4.420 nan 0.000 0.223 755 P C 0.715 177.700 177.300 -0.526 0.000 1.151 755 P CA 0.941 63.684 63.100 -0.595 0.000 0.787 755 P CB -0.109 30.968 31.700 -1.038 0.000 0.788 756 W N -0.848 120.495 121.300 0.072 0.000 3.316 756 W HA 0.511 5.171 4.660 -0.000 0.000 0.327 756 W C 1.759 178.357 176.519 0.131 0.000 1.232 756 W CA -0.094 57.299 57.345 0.079 0.000 1.805 756 W CB 0.097 29.600 29.460 0.072 0.000 1.090 756 W HN -0.026 nan 8.180 nan 0.000 0.654 757 A N -0.012 122.997 122.820 0.316 0.000 1.971 757 A HA 0.243 4.563 4.320 -0.000 0.000 0.200 757 A C 1.457 179.229 177.584 0.312 0.000 1.658 757 A CA -0.094 52.161 52.037 0.362 0.000 0.962 757 A CB 0.170 19.509 19.000 0.564 0.000 1.053 757 A HN 0.006 nan 8.150 nan 0.000 0.533 758 R N -0.387 120.262 120.500 0.248 0.000 3.525 758 R HA -0.148 4.192 4.340 -0.000 0.000 0.276 758 R C 0.492 177.049 176.300 0.428 0.000 1.116 758 R CA 1.184 57.415 56.100 0.217 0.000 0.745 758 R CB -2.507 27.853 30.300 0.099 0.000 1.185 758 R HN 1.970 nan 8.270 nan 0.000 0.454 759 G N -2.667 106.388 108.800 0.426 0.000 2.340 759 G HA2 0.096 4.056 3.960 -0.000 0.000 0.282 759 G HA3 0.096 4.056 3.960 -0.000 0.000 0.282 759 G C 0.219 175.089 174.900 -0.050 0.000 1.312 759 G CA 0.400 45.598 45.100 0.163 0.000 0.942 759 G HN 0.388 nan 8.290 nan 0.000 0.495 760 S N -1.603 113.696 115.700 -0.669 0.000 3.148 760 S HA 0.658 5.128 4.470 -0.000 0.000 0.246 760 S C 0.379 174.656 174.600 -0.540 0.000 1.041 760 S CA 1.522 59.337 58.200 -0.642 0.000 0.813 760 S CB 0.353 63.116 63.200 -0.728 0.000 0.813 760 S HN 2.181 nan 8.310 nan 0.000 0.546 761 Y N 0.923 120.840 120.300 -0.637 0.000 2.750 761 Y HA 0.758 5.308 4.550 -0.000 0.000 0.335 761 Y C -0.513 175.252 175.900 -0.225 0.000 1.252 761 Y CA -1.372 56.549 58.100 -0.298 0.000 1.064 761 Y CB 0.290 38.686 38.460 -0.107 0.000 1.321 761 Y HN 0.237 nan 8.280 nan 0.000 0.451 762 S N 0.579 116.521 115.700 0.403 0.000 2.632 762 S HA 0.726 5.196 4.470 -0.000 0.000 0.267 762 S C -0.958 173.880 174.600 0.397 0.000 1.276 762 S CA -0.095 58.303 58.200 0.329 0.000 0.998 762 S CB 0.710 64.097 63.200 0.311 0.000 0.953 762 S HN 1.130 nan 8.310 nan 0.000 0.547 763 Y N -2.291 118.150 120.300 0.235 0.000 2.615 763 Y HA 0.695 5.245 4.550 0.000 0.000 0.341 763 Y C -1.239 174.814 175.900 0.255 0.000 1.089 763 Y CA -1.786 56.461 58.100 0.244 0.000 1.049 763 Y CB 0.570 39.125 38.460 0.159 0.000 1.296 763 Y HN 0.408 nan 8.280 nan 0.000 0.470 764 V N 2.866 123.058 119.914 0.464 0.000 2.356 764 V HA 0.584 4.704 4.120 -0.000 0.000 0.258 764 V C 0.689 177.012 176.094 0.382 0.000 1.065 764 V CA -0.114 62.392 62.300 0.343 0.000 0.935 764 V CB -0.561 31.483 31.823 0.367 0.000 1.061 764 V HN 0.969 nan 8.190 nan 0.000 0.484 765 A N 4.491 127.412 122.820 0.168 0.000 2.296 765 A HA 0.761 5.081 4.320 -0.000 0.000 0.264 765 A C 0.876 178.583 177.584 0.204 0.000 1.097 765 A CA 0.000 52.215 52.037 0.295 0.000 0.811 765 A CB 0.379 19.463 19.000 0.139 0.000 1.072 765 A HN 1.292 nan 8.150 nan 0.000 0.495 766 A N -0.244 122.684 122.820 0.180 0.000 2.537 766 A HA 0.468 4.788 4.320 -0.000 0.000 0.260 766 A C 1.453 179.085 177.584 0.080 0.000 1.082 766 A CA 0.802 52.906 52.037 0.113 0.000 0.765 766 A CB -1.277 17.762 19.000 0.065 0.000 1.019 766 A HN 2.719 nan 8.150 nan 0.000 0.507 767 G N 1.467 110.319 108.800 0.086 0.000 2.157 767 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.239 767 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.239 767 G C 0.445 175.375 174.900 0.050 0.000 0.982 767 G CA 0.458 45.594 45.100 0.059 0.000 0.650 767 G HN 1.343 nan 8.290 nan 0.000 0.527 768 S N -0.706 115.034 115.700 0.068 0.000 2.747 768 S HA 0.915 5.385 4.470 -0.000 0.000 0.300 768 S C 0.551 175.155 174.600 0.006 0.000 1.121 768 S CA 0.752 58.968 58.200 0.027 0.000 0.995 768 S CB 1.609 64.822 63.200 0.021 0.000 1.113 768 S HN 1.539 nan 8.310 nan 0.000 0.547 769 S N 0.205 115.855 115.700 -0.083 0.000 2.851 769 S HA 0.618 5.088 4.470 -0.000 0.000 0.313 769 S C 0.910 175.466 174.600 -0.073 0.000 1.163 769 S CA -0.225 57.785 58.200 -0.318 0.000 0.850 769 S CB 0.681 63.550 63.200 -0.551 0.000 1.245 769 S HN 0.823 nan 8.310 nan 0.000 0.558 770 G N 0.567 109.293 108.800 -0.122 0.000 2.650 770 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.214 770 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.214 770 G C 1.075 176.040 174.900 0.109 0.000 1.136 770 G CA 0.450 45.576 45.100 0.044 0.000 0.789 770 G HN 0.758 nan 8.290 nan 0.000 0.536 771 N N 1.005 119.710 118.700 0.008 0.000 2.409 771 N HA -0.088 4.652 4.740 -0.000 0.000 0.179 771 N C 1.106 176.644 175.510 0.046 0.000 1.032 771 N CA 0.888 53.946 53.050 0.013 0.000 0.898 771 N CB -0.101 38.365 38.487 -0.035 0.000 0.971 771 N HN 0.062 nan 8.380 nan 0.000 0.441 772 D N 0.244 120.674 120.400 0.051 0.000 2.144 772 D HA -0.122 4.518 4.640 -0.000 0.000 0.199 772 D C 1.420 177.707 176.300 -0.022 0.000 0.984 772 D CA 0.905 54.899 54.000 -0.009 0.000 0.834 772 D CB -0.520 40.233 40.800 -0.079 0.000 0.955 772 D HN 0.359 nan 8.370 nan 0.000 0.465 773 Y N 1.307 121.585 120.300 -0.036 0.000 2.193 773 Y HA -0.217 4.333 4.550 -0.000 0.000 0.285 773 Y C 2.146 178.024 175.900 -0.037 0.000 1.166 773 Y CA 1.219 59.298 58.100 -0.034 0.000 1.181 773 Y CB -0.140 38.300 38.460 -0.034 0.000 0.976 773 Y HN -0.040 nan 8.280 nan 0.000 0.520 774 D N -0.193 120.288 120.400 0.136 0.000 2.077 774 D HA -0.147 4.493 4.640 -0.000 0.000 0.196 774 D C 2.260 178.587 176.300 0.045 0.000 0.986 774 D CA 1.300 55.339 54.000 0.065 0.000 0.829 774 D CB -0.635 40.185 40.800 0.033 0.000 0.983 774 D HN 0.242 nan 8.370 nan 0.000 0.453 775 L N 0.246 121.493 121.223 0.039 0.000 2.021 775 L HA -0.234 4.106 4.340 -0.000 0.000 0.215 775 L C 2.485 179.403 176.870 0.079 0.000 1.074 775 L CA 0.954 55.853 54.840 0.098 0.000 0.760 775 L CB -0.610 41.535 42.059 0.142 0.000 0.889 775 L HN 0.047 nan 8.230 nan 0.000 0.433 776 M N -0.210 119.363 119.600 -0.045 0.000 2.143 776 M HA -0.236 4.244 4.480 -0.000 0.000 0.258 776 M C 2.398 178.622 176.300 -0.127 0.000 1.071 776 M CA 2.184 57.379 55.300 -0.176 0.000 1.088 776 M CB -1.518 30.974 32.600 -0.179 0.000 1.360 776 M HN 0.402 nan 8.290 nan 0.000 0.404 777 A N -1.305 121.527 122.820 0.020 0.000 2.072 777 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 777 A C 1.069 178.779 177.584 0.210 0.000 1.156 777 A CA 0.131 52.239 52.037 0.118 0.000 0.701 777 A CB -0.209 18.844 19.000 0.089 0.000 0.816 777 A HN 0.347 nan 8.150 nan 0.000 0.458 778 Q N 1.475 121.386 119.800 0.185 0.000 2.242 778 Q HA 0.144 4.484 4.340 -0.000 0.000 0.284 778 Q C -2.224 173.963 176.000 0.312 0.000 1.130 778 Q CA -2.021 53.898 55.803 0.192 0.000 0.940 778 Q CB 0.188 28.986 28.738 0.101 0.000 1.146 778 Q HN 0.408 nan 8.270 nan 0.000 0.388 779 P HA 0.069 nan 4.420 nan 0.000 0.271 779 P C -0.295 176.990 177.300 -0.024 0.000 1.244 779 P CA -0.016 63.016 63.100 -0.114 0.000 0.793 779 P CB 0.822 32.166 31.700 -0.593 0.000 0.984 780 I N 0.328 120.763 120.570 -0.225 0.000 2.377 780 I HA 0.243 4.413 4.170 -0.000 0.000 0.293 780 I C 0.338 176.344 176.117 -0.185 0.000 0.987 780 I CA -0.303 60.913 61.300 -0.140 0.000 1.185 780 I CB 1.187 39.015 38.000 -0.286 0.000 1.341 780 I HN 0.142 nan 8.210 nan 0.000 0.455 781 T N 7.246 121.789 114.554 -0.018 0.000 2.788 781 T HA 0.363 4.713 4.350 -0.000 0.000 0.296 781 T C -2.168 172.601 174.700 0.115 0.000 1.009 781 T CA -1.089 61.026 62.100 0.025 0.000 0.949 781 T CB 1.214 70.098 68.868 0.027 0.000 0.946 781 T HN 0.425 nan 8.240 nan 0.000 0.453 782 P HA 0.164 nan 4.420 nan 0.000 0.268 782 P C 0.692 178.069 177.300 0.128 0.000 1.208 782 P CA -0.260 62.978 63.100 0.231 0.000 0.777 782 P CB 0.429 32.275 31.700 0.245 0.000 0.875 783 G N 2.166 111.025 108.800 0.098 0.000 2.716 783 G HA2 0.319 4.279 3.960 -0.000 0.000 0.251 783 G HA3 0.319 4.279 3.960 -0.000 0.000 0.251 783 G C -2.317 172.613 174.900 0.051 0.000 1.224 783 G CA -0.713 44.425 45.100 0.063 0.000 0.891 783 G HN 0.424 nan 8.290 nan 0.000 0.561 784 P HA 0.292 nan 4.420 nan 0.000 0.279 784 P C 0.599 177.914 177.300 0.025 0.000 1.252 784 P CA -0.489 62.631 63.100 0.033 0.000 0.811 784 P CB 1.926 33.641 31.700 0.026 0.000 1.035 785 S N 0.614 116.328 115.700 0.024 0.000 2.355 785 S HA -0.009 4.461 4.470 -0.000 0.000 0.210 785 S C 0.942 175.549 174.600 0.012 0.000 1.035 785 S CA 0.753 58.963 58.200 0.016 0.000 1.011 785 S CB -0.765 62.447 63.200 0.019 0.000 1.000 785 S HN 0.428 nan 8.310 nan 0.000 0.423 786 I N 3.933 124.510 120.570 0.012 0.000 2.598 786 I HA 0.155 4.325 4.170 -0.000 0.000 0.284 786 I C -2.167 173.956 176.117 0.010 0.000 1.140 786 I CA -1.614 59.692 61.300 0.010 0.000 1.420 786 I CB -0.018 37.988 38.000 0.010 0.000 1.387 786 I HN 0.160 nan 8.210 nan 0.000 0.553 787 P HA 0.162 nan 4.420 nan 0.000 0.275 787 P C 0.833 178.138 177.300 0.008 0.000 1.227 787 P CA 0.153 63.259 63.100 0.009 0.000 0.781 787 P CB 1.205 32.909 31.700 0.008 0.000 0.906 788 G N 1.289 110.095 108.800 0.009 0.000 2.225 788 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.254 788 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.254 788 G C 0.448 175.352 174.900 0.008 0.000 0.988 788 G CA 0.154 45.259 45.100 0.007 0.000 0.625 788 G HN 0.891 nan 8.290 nan 0.000 0.527 789 A N 1.654 124.480 122.820 0.010 0.000 2.425 789 A HA 0.623 4.943 4.320 -0.000 0.000 0.242 789 A C -0.514 177.077 177.584 0.011 0.000 1.077 789 A CA -0.024 52.020 52.037 0.011 0.000 0.781 789 A CB 0.051 19.059 19.000 0.014 0.000 1.020 789 A HN 0.414 nan 8.150 nan 0.000 0.494 790 P HA 0.072 nan 4.420 nan 0.000 0.271 790 P C -0.433 176.874 177.300 0.012 0.000 1.233 790 P CA -0.273 62.832 63.100 0.007 0.000 0.789 790 P CB 0.280 31.982 31.700 0.003 0.000 0.951 791 Q N 1.640 121.446 119.800 0.010 0.000 2.269 791 Q HA 0.081 4.421 4.340 -0.000 0.000 0.300 791 Q C -1.971 174.038 176.000 0.016 0.000 1.070 791 Q CA -0.554 55.257 55.803 0.014 0.000 0.957 791 Q CB -0.510 28.233 28.738 0.007 0.000 1.131 791 Q HN 0.276 nan 8.270 nan 0.000 0.377 792 P HA 0.185 nan 4.420 nan 0.000 0.276 792 P C -0.861 176.454 177.300 0.026 0.000 1.261 792 P CA -0.596 62.526 63.100 0.036 0.000 0.800 792 P CB 0.469 32.206 31.700 0.062 0.000 1.066 793 I N 0.615 121.200 120.570 0.024 0.000 3.003 793 I HA 0.041 4.211 4.170 -0.000 0.000 0.294 793 I C -2.011 174.140 176.117 0.057 0.000 1.237 793 I CA -1.112 60.194 61.300 0.010 0.000 1.417 793 I CB -1.166 36.833 38.000 -0.001 0.000 1.340 793 I HN 0.276 nan 8.210 nan 0.000 0.594 794 P HA 0.279 nan 4.420 nan 0.000 0.280 794 P C -0.086 177.258 177.300 0.073 0.000 1.244 794 P CA -0.360 62.713 63.100 -0.045 0.000 0.784 794 P CB 0.879 32.479 31.700 -0.167 0.000 0.913 795 R N 1.349 121.809 120.500 -0.067 0.000 2.369 795 R HA 0.266 4.606 4.340 -0.000 0.000 0.210 795 R C -0.225 176.059 176.300 -0.028 0.000 0.881 795 R CA -0.007 56.180 56.100 0.145 0.000 1.031 795 R CB 0.049 30.458 30.300 0.181 0.000 1.184 795 R HN 0.326 nan 8.270 nan 0.000 0.581 796 L N 1.418 122.346 121.223 -0.490 0.000 2.325 796 L HA 0.507 4.847 4.340 -0.000 0.000 0.281 796 L C -1.284 175.078 176.870 -0.847 0.000 1.004 796 L CA -0.728 53.779 54.840 -0.556 0.000 0.823 796 L CB 0.877 42.476 42.059 -0.767 0.000 1.236 796 L HN -0.194 nan 8.230 nan 0.000 0.415 797 F N 4.426 124.044 119.950 -0.553 0.000 2.579 797 F HA 0.673 5.200 4.527 -0.000 0.000 0.324 797 F C -0.617 174.756 175.800 -0.712 0.000 1.058 797 F CA -0.551 57.173 58.000 -0.459 0.000 0.944 797 F CB 1.752 40.653 39.000 -0.164 0.000 1.245 797 F HN 0.178 nan 8.300 nan 0.000 0.477 798 F N 1.006 121.042 119.950 0.143 0.000 2.547 798 F HA 0.774 5.301 4.527 -0.000 0.000 0.316 798 F C -0.076 175.728 175.800 0.007 0.000 1.121 798 F CA -0.839 57.191 58.000 0.049 0.000 0.911 798 F CB 1.816 40.809 39.000 -0.011 0.000 1.179 798 F HN 0.593 nan 8.300 nan 0.000 0.443 799 A N 1.671 124.587 122.820 0.160 0.000 2.479 799 A HA 1.015 5.335 4.320 -0.000 0.000 0.296 799 A C -0.295 177.264 177.584 -0.041 0.000 1.121 799 A CA -0.445 51.614 52.037 0.036 0.000 0.743 799 A CB 1.803 20.816 19.000 0.020 0.000 1.323 799 A HN 1.629 nan 8.150 nan 0.000 0.415 800 G N -0.407 108.338 108.800 -0.091 0.000 2.348 800 G HA2 0.304 4.264 3.960 -0.000 0.000 0.606 800 G HA3 0.304 4.264 3.960 -0.000 0.000 0.606 800 G C 0.355 175.203 174.900 -0.086 0.000 1.466 800 G CA 0.377 45.445 45.100 -0.053 0.000 0.950 800 G HN 1.152 nan 8.290 nan 0.000 0.657 801 E N 0.365 120.605 120.200 0.067 0.000 2.200 801 E HA -0.357 3.993 4.350 -0.000 0.000 0.211 801 E C 1.759 178.481 176.600 0.203 0.000 1.048 801 E CA 2.529 59.000 56.400 0.118 0.000 0.851 801 E CB -0.368 29.422 29.700 0.150 0.000 0.747 801 E HN 0.872 nan 8.360 nan 0.000 0.462 802 H N -0.452 118.689 119.070 0.119 0.000 2.556 802 H HA 0.076 4.632 4.556 -0.000 0.000 0.268 802 H C 1.404 176.774 175.328 0.070 0.000 0.996 802 H CA 1.403 57.487 56.048 0.060 0.000 1.157 802 H CB -0.592 29.110 29.762 -0.100 0.000 1.355 802 H HN 0.271 nan 8.280 nan 0.000 0.597 803 T N -2.300 112.163 114.554 -0.152 0.000 3.040 803 T HA 0.249 4.599 4.350 -0.000 0.000 0.266 803 T C 0.668 175.416 174.700 0.081 0.000 1.005 803 T CA -0.405 61.640 62.100 -0.092 0.000 0.906 803 T CB -0.281 68.463 68.868 -0.206 0.000 1.082 803 T HN 0.244 nan 8.240 nan 0.000 0.531 804 I N 2.084 122.738 120.570 0.140 0.000 2.692 804 I HA 0.433 4.603 4.170 -0.000 0.000 0.285 804 I C 1.527 177.609 176.117 -0.058 0.000 1.191 804 I CA -1.122 60.212 61.300 0.057 0.000 1.128 804 I CB 0.298 38.321 38.000 0.037 0.000 1.585 804 I HN 0.033 nan 8.210 nan 0.000 0.558 805 R N 2.329 122.763 120.500 -0.109 0.000 2.270 805 R HA -0.302 4.038 4.340 -0.000 0.000 0.260 805 R C 1.024 177.061 176.300 -0.438 0.000 1.127 805 R CA 2.683 58.562 56.100 -0.368 0.000 0.969 805 R CB -0.131 30.079 30.300 -0.150 0.000 0.918 805 R HN 0.593 nan 8.270 nan 0.000 0.455 806 N N -1.297 117.178 118.700 -0.375 0.000 2.515 806 N HA -0.052 4.688 4.740 -0.000 0.000 0.185 806 N C -0.393 174.604 175.510 -0.855 0.000 1.109 806 N CA 0.906 53.519 53.050 -0.728 0.000 0.903 806 N CB 0.366 38.264 38.487 -0.982 0.000 0.969 806 N HN 0.382 nan 8.380 nan 0.000 0.450 807 Y N -1.111 119.020 120.300 -0.282 0.000 2.885 807 Y HA 0.279 4.829 4.550 -0.000 0.000 0.258 807 Y C -2.369 173.426 175.900 -0.175 0.000 0.926 807 Y CA -1.744 56.259 58.100 -0.162 0.000 1.121 807 Y CB 0.892 39.338 38.460 -0.023 0.000 1.213 807 Y HN -0.074 nan 8.280 nan 0.000 0.648 808 P HA 0.014 nan 4.420 nan 0.000 0.272 808 P C 0.760 178.016 177.300 -0.073 0.000 1.254 808 P CA 0.820 63.884 63.100 -0.059 0.000 0.795 808 P CB 0.837 32.465 31.700 -0.118 0.000 1.022 809 A N -1.229 121.593 122.820 0.002 0.000 2.714 809 A HA -0.167 4.153 4.320 -0.000 0.000 0.305 809 A C 0.585 177.946 177.584 -0.371 0.000 1.520 809 A CA 1.776 53.711 52.037 -0.169 0.000 0.879 809 A CB -2.741 16.072 19.000 -0.312 0.000 0.976 809 A HN 0.849 nan 8.150 nan 0.000 0.487 810 T N -6.178 108.200 114.554 -0.294 0.000 2.843 810 T HA 0.601 4.951 4.350 -0.000 0.000 0.302 810 T C 0.794 175.277 174.700 -0.363 0.000 1.232 810 T CA -0.199 61.657 62.100 -0.407 0.000 1.009 810 T CB 1.426 69.890 68.868 -0.674 0.000 1.254 810 T HN 0.672 nan 8.240 nan 0.000 0.504 811 V N 1.952 121.693 119.914 -0.287 0.000 2.220 811 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 811 V C 2.816 178.835 176.094 -0.126 0.000 1.049 811 V CA 2.517 64.708 62.300 -0.180 0.000 1.003 811 V CB -1.276 30.468 31.823 -0.131 0.000 0.634 811 V HN 1.109 nan 8.190 nan 0.000 0.444 812 H N 0.189 119.305 119.070 0.076 0.000 2.357 812 H HA -0.165 4.391 4.556 -0.000 0.000 0.296 812 H C 2.304 177.624 175.328 -0.014 0.000 1.108 812 H CA 1.905 57.990 56.048 0.061 0.000 1.273 812 H CB -1.147 28.733 29.762 0.197 0.000 1.367 812 H HN 0.436 nan 8.280 nan 0.000 0.498 813 G N 0.969 109.608 108.800 -0.269 0.000 2.440 813 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 813 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 813 G C 2.021 176.880 174.900 -0.068 0.000 1.154 813 G CA 1.835 46.891 45.100 -0.073 0.000 0.767 813 G HN 0.702 nan 8.290 nan 0.000 0.552 814 A N 0.946 123.712 122.820 -0.090 0.000 1.832 814 A HA 0.126 4.446 4.320 -0.000 0.000 0.214 814 A C 2.344 179.892 177.584 -0.061 0.000 1.204 814 A CA 1.414 53.417 52.037 -0.057 0.000 0.606 814 A CB -0.797 18.172 19.000 -0.052 0.000 0.849 814 A HN 0.367 nan 8.150 nan 0.000 0.445 815 L N -0.138 121.048 121.223 -0.061 0.000 2.113 815 L HA -0.248 4.092 4.340 -0.000 0.000 0.221 815 L C 2.211 179.015 176.870 -0.109 0.000 1.084 815 L CA 2.331 57.133 54.840 -0.064 0.000 0.787 815 L CB -1.011 41.031 42.059 -0.029 0.000 0.893 815 L HN 0.490 nan 8.230 nan 0.000 0.440 816 L N -0.282 120.868 121.223 -0.121 0.000 2.291 816 L HA -0.139 4.201 4.340 -0.000 0.000 0.214 816 L C 2.668 179.464 176.870 -0.122 0.000 1.120 816 L CA 1.149 55.885 54.840 -0.172 0.000 0.799 816 L CB -0.233 41.686 42.059 -0.233 0.000 0.925 816 L HN 0.460 nan 8.230 nan 0.000 0.446 817 S N -1.254 114.398 115.700 -0.080 0.000 2.446 817 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 817 S C 2.036 176.609 174.600 -0.044 0.000 1.016 817 S CA 0.492 58.663 58.200 -0.047 0.000 0.943 817 S CB -0.448 62.731 63.200 -0.036 0.000 0.786 817 S HN 0.359 nan 8.310 nan 0.000 0.508 818 G N 2.573 111.336 108.800 -0.061 0.000 2.421 818 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.216 818 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.216 818 G C 1.436 176.285 174.900 -0.085 0.000 1.171 818 G CA 0.895 45.955 45.100 -0.067 0.000 0.775 818 G HN 0.458 nan 8.290 nan 0.000 0.543 819 L N -0.062 121.095 121.223 -0.109 0.000 1.989 819 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 819 L C 2.980 179.806 176.870 -0.073 0.000 1.071 819 L CA 1.690 56.458 54.840 -0.120 0.000 0.749 819 L CB -0.508 41.434 42.059 -0.195 0.000 0.890 819 L HN 0.246 nan 8.230 nan 0.000 0.431 820 R N 0.101 120.570 120.500 -0.052 0.000 2.080 820 R HA -0.198 4.142 4.340 -0.000 0.000 0.236 820 R C 2.207 178.516 176.300 0.015 0.000 1.137 820 R CA 1.675 57.775 56.100 0.001 0.000 0.943 820 R CB -0.059 30.248 30.300 0.012 0.000 0.846 820 R HN 0.306 nan 8.270 nan 0.000 0.431 821 E N 0.336 120.538 120.200 0.003 0.000 2.072 821 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 821 E C 1.922 178.481 176.600 -0.069 0.000 0.985 821 E CA 1.254 57.656 56.400 0.003 0.000 0.801 821 E CB -0.404 29.302 29.700 0.011 0.000 0.750 821 E HN 0.469 nan 8.360 nan 0.000 0.452 822 A N 1.215 123.987 122.820 -0.081 0.000 1.892 822 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 822 A C 2.517 180.129 177.584 0.046 0.000 1.188 822 A CA 2.267 54.255 52.037 -0.083 0.000 0.631 822 A CB -1.313 17.590 19.000 -0.163 0.000 0.822 822 A HN 0.350 nan 8.150 nan 0.000 0.447 823 G N -0.380 108.438 108.800 0.031 0.000 2.513 823 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.219 823 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.219 823 G C 1.762 176.616 174.900 -0.076 0.000 1.160 823 G CA 1.444 46.503 45.100 -0.068 0.000 0.767 823 G HN 0.676 nan 8.290 nan 0.000 0.571 824 R N -0.045 120.441 120.500 -0.024 0.000 2.073 824 R HA 0.152 4.492 4.340 -0.000 0.000 0.229 824 R C 2.540 178.828 176.300 -0.020 0.000 1.120 824 R CA 0.964 57.082 56.100 0.030 0.000 0.967 824 R CB -0.388 29.984 30.300 0.121 0.000 0.862 824 R HN 0.377 nan 8.270 nan 0.000 0.436 825 I N 1.351 121.817 120.570 -0.173 0.000 2.179 825 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 825 I C 2.568 178.718 176.117 0.055 0.000 1.088 825 I CA 1.553 62.705 61.300 -0.248 0.000 1.357 825 I CB -0.290 37.391 38.000 -0.531 0.000 1.051 825 I HN 0.380 nan 8.210 nan 0.000 0.409 826 A N 0.090 122.951 122.820 0.069 0.000 1.908 826 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 826 A C 1.947 179.554 177.584 0.038 0.000 1.181 826 A CA 2.164 54.273 52.037 0.121 0.000 0.627 826 A CB -0.689 18.440 19.000 0.215 0.000 0.818 826 A HN 0.365 nan 8.150 nan 0.000 0.445 827 D N -1.115 119.281 120.400 -0.006 0.000 2.182 827 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 827 D C 2.036 178.296 176.300 -0.067 0.000 0.986 827 D CA 1.721 55.700 54.000 -0.036 0.000 0.847 827 D CB -0.178 40.622 40.800 -0.001 0.000 0.942 827 D HN 0.612 nan 8.370 nan 0.000 0.467 828 Q N -1.031 118.732 119.800 -0.063 0.000 2.163 828 Q HA 0.015 4.355 4.340 -0.000 0.000 0.198 828 Q C 1.302 177.018 176.000 -0.474 0.000 0.954 828 Q CA 1.143 56.792 55.803 -0.256 0.000 0.851 828 Q CB -0.081 28.504 28.738 -0.255 0.000 0.928 828 Q HN 0.272 nan 8.270 nan 0.000 0.459 829 F N -1.431 118.505 119.950 -0.024 0.000 2.694 829 F HA 0.268 4.795 4.527 -0.000 0.000 0.292 829 F C 1.099 176.888 175.800 -0.018 0.000 1.121 829 F CA 0.108 58.100 58.000 -0.014 0.000 1.352 829 F CB 0.593 39.582 39.000 -0.019 0.000 1.107 829 F HN -0.045 nan 8.300 nan 0.000 0.597 830 L N -0.596 120.689 121.223 0.104 0.000 2.693 830 L HA 0.464 4.804 4.340 -0.000 0.000 0.235 830 L C 0.994 177.847 176.870 -0.028 0.000 1.127 830 L CA 0.094 54.958 54.840 0.040 0.000 0.914 830 L CB -0.606 41.472 42.059 0.032 0.000 1.193 830 L HN 0.156 nan 8.230 nan 0.000 0.502 831 G N 1.302 110.064 108.800 -0.063 0.000 2.916 831 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.533 831 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.533 831 G C -0.318 174.489 174.900 -0.154 0.000 1.516 831 G CA -0.251 44.781 45.100 -0.114 0.000 0.944 831 G HN 0.459 nan 8.290 nan 0.000 0.555 832 A N 0.975 123.642 122.820 -0.254 0.000 2.323 832 A HA 0.653 4.973 4.320 -0.000 0.000 0.305 832 A C 1.144 178.433 177.584 -0.491 0.000 1.275 832 A CA 0.035 51.792 52.037 -0.466 0.000 0.804 832 A CB 0.688 19.220 19.000 -0.780 0.000 1.152 832 A HN 0.769 nan 8.150 nan 0.000 0.487 833 M N 1.415 120.832 119.600 -0.305 0.000 2.394 833 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 833 M C 1.539 177.697 176.300 -0.236 0.000 1.073 833 M CA 1.506 56.674 55.300 -0.221 0.000 1.111 833 M CB -1.580 30.938 32.600 -0.136 0.000 1.401 833 M HN 0.988 nan 8.290 nan 0.000 0.448 834 Y N 0.333 120.523 120.300 -0.182 0.000 2.561 834 Y HA 0.064 4.614 4.550 -0.000 0.000 0.291 834 Y C 2.123 177.834 175.900 -0.316 0.000 1.141 834 Y CA 1.018 58.984 58.100 -0.222 0.000 1.303 834 Y CB -1.750 36.630 38.460 -0.133 0.000 1.015 834 Y HN 0.282 nan 8.280 nan 0.000 0.547 835 T N -1.944 112.324 114.554 -0.476 0.000 3.023 835 T HA 0.052 4.402 4.350 -0.000 0.000 0.266 835 T C 0.788 175.320 174.700 -0.281 0.000 1.093 835 T CA 0.044 61.913 62.100 -0.385 0.000 1.129 835 T CB -0.294 68.357 68.868 -0.362 0.000 0.899 835 T HN 0.063 nan 8.240 nan 0.000 0.491 836 L N 0.000 121.085 121.223 -0.229 0.000 2.949 836 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 836 L CA 0.000 54.746 54.840 -0.157 0.000 0.813 836 L CB 0.000 41.982 42.059 -0.128 0.000 0.961 836 L HN 0.000 nan 8.230 nan 0.000 0.502