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 2vsm_1_A DATA FIRST_RESID 188 DATA SEQUENCE IcLQKTSNQI LKPKLISYTL XXXGQSGTcI TDPLLAMDEG YFAYSHLERI DATA SEQUENCE GScSRGVSKQ RIIGVGEVLD RGDEVPSLFM TNVWTPPNPN TVYHcSAVYN DATA SEQUENCE NEFYYVLcAV STVGDPILNS TYWSGSLMMT RLAVKPKSNG GGYNQHQLAL DATA SEQUENCE RSIEKGRYDK VMPYGPSGIK QGDTLYFPAV GFLVRTEFKY NDSNcPITKc DATA SEQUENCE QYSKPENcRL SMGIRPNSHY ILRSGLLKYN LSDGENPKVV FIEISDQRLS DATA SEQUENCE IGSPSKIYDS LGQPVFYQAS FSWDTMIKFG DVLTVNPLVV NWRNNTVISR DATA SEQUENCE PGQSQcPRFN TcPEIcWEGV YNDAFLIDRI NWISAGVFLD SNQTAENPVF DATA SEQUENCE TVFKDNEILY RAQLASEDTN AQKTITNcFL LKNKIWcISL VEIYDTGDNV DATA SEQUENCE IRPKLFAVKI PEQcTH 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 188 I HA 0.000 nan 4.170 nan 0.000 0.288 188 I C 0.000 176.137 176.117 0.033 0.000 1.063 188 I CA 0.000 61.306 61.300 0.010 0.000 1.566 188 I CB 0.000 38.021 38.000 0.035 0.000 1.214 189 c N 3.702 122.325 118.600 0.038 0.000 2.651 189 c HA 0.442 5.012 4.570 0.001 0.000 0.410 189 c C 1.324 175.532 174.090 0.198 0.000 1.372 189 c CA 0.011 56.365 56.329 0.041 0.000 1.707 189 c CB -1.137 41.270 42.510 -0.171 0.000 2.501 189 c HN 0.698 nan 8.230 nan 0.000 0.598 190 L N 4.377 125.680 121.223 0.134 0.000 2.640 190 L HA 0.199 4.539 4.340 0.001 0.000 0.230 190 L C 1.122 178.080 176.870 0.147 0.000 1.123 190 L CA 0.194 55.115 54.840 0.134 0.000 0.900 190 L CB -0.473 41.631 42.059 0.076 0.000 1.146 190 L HN 0.728 nan 8.230 nan 0.000 0.484 191 Q N 1.011 120.907 119.800 0.160 0.000 2.230 191 Q HA 0.246 4.586 4.340 0.001 0.000 0.248 191 Q C -0.182 175.944 176.000 0.211 0.000 0.915 191 Q CA -0.398 55.487 55.803 0.136 0.000 0.900 191 Q CB 1.840 30.628 28.738 0.083 0.000 1.229 191 Q HN -0.025 nan 8.270 nan 0.000 0.439 192 K N 1.365 121.861 120.400 0.161 0.000 2.412 192 K HA 0.149 4.470 4.320 0.001 0.000 0.281 192 K C -0.795 175.900 176.600 0.159 0.000 1.027 192 K CA 0.458 56.849 56.287 0.174 0.000 0.989 192 K CB 0.554 33.123 32.500 0.115 0.000 0.935 192 K HN 0.601 nan 8.250 nan 0.000 0.475 193 T N 1.150 115.821 114.554 0.195 0.000 2.942 193 T HA 0.148 4.498 4.350 0.001 0.000 0.327 193 T C 0.285 175.063 174.700 0.130 0.000 1.360 193 T CA -0.485 61.690 62.100 0.124 0.000 1.055 193 T CB 1.186 70.089 68.868 0.057 0.000 1.261 193 T HN 0.595 nan 8.240 nan 0.000 0.485 194 S N 2.706 118.465 115.700 0.097 0.000 2.575 194 S HA 0.205 4.676 4.470 0.001 0.000 0.215 194 S C 0.630 175.289 174.600 0.099 0.000 0.966 194 S CA -0.395 57.863 58.200 0.096 0.000 0.911 194 S CB -0.333 62.915 63.200 0.081 0.000 0.780 194 S HN 0.655 nan 8.310 nan 0.000 0.514 195 N N 3.094 121.849 118.700 0.092 0.000 2.395 195 N HA 0.060 4.800 4.740 0.001 0.000 0.246 195 N C -0.165 175.299 175.510 -0.076 0.000 1.246 195 N CA 0.337 53.446 53.050 0.098 0.000 0.879 195 N CB 0.117 38.638 38.487 0.057 0.000 1.098 195 N HN 0.514 nan 8.380 nan 0.000 0.444 196 Q N 1.584 121.215 119.800 -0.282 0.000 3.247 196 Q HA 0.153 4.493 4.340 0.001 0.000 0.326 196 Q C 1.171 176.970 176.000 -0.334 0.000 1.402 196 Q CA -0.122 55.524 55.803 -0.261 0.000 0.994 196 Q CB -0.379 28.224 28.738 -0.224 0.000 1.647 196 Q HN 0.641 nan 8.270 nan 0.000 0.523 197 I N -3.139 117.270 120.570 -0.269 0.000 2.876 197 I HA 0.028 4.198 4.170 0.001 0.000 0.264 197 I C 0.260 176.247 176.117 -0.216 0.000 1.204 197 I CA 0.250 61.378 61.300 -0.286 0.000 1.485 197 I CB 0.171 37.947 38.000 -0.374 0.000 1.103 197 I HN 0.190 nan 8.210 nan 0.000 0.446 198 L N 2.607 123.754 121.223 -0.127 0.000 2.305 198 L HA 0.356 4.696 4.340 0.001 0.000 0.281 198 L C 0.001 176.797 176.870 -0.123 0.000 1.085 198 L CA -0.003 54.777 54.840 -0.100 0.000 0.813 198 L CB 0.957 43.028 42.059 0.020 0.000 1.157 198 L HN 0.116 nan 8.230 nan 0.000 0.436 199 K N 4.021 124.328 120.400 -0.155 0.000 2.753 199 K HA 0.330 4.650 4.320 0.001 0.000 0.185 199 K C -2.474 174.075 176.600 -0.086 0.000 1.071 199 K CA -1.641 54.582 56.287 -0.106 0.000 0.999 199 K CB 0.978 33.421 32.500 -0.095 0.000 1.244 199 K HN 0.248 nan 8.250 nan 0.000 0.594 200 P HA -0.010 nan 4.420 nan 0.000 0.265 200 P C -0.872 176.489 177.300 0.101 0.000 1.193 200 P CA 0.035 63.117 63.100 -0.029 0.000 0.765 200 P CB 0.603 32.269 31.700 -0.058 0.000 0.823 201 K N 2.343 122.836 120.400 0.155 0.000 2.323 201 K HA 0.379 4.699 4.320 0.001 0.000 0.259 201 K C -0.653 175.998 176.600 0.083 0.000 0.947 201 K CA -1.134 55.229 56.287 0.125 0.000 0.819 201 K CB 1.660 34.231 32.500 0.119 0.000 1.109 201 K HN 0.277 nan 8.250 nan 0.000 0.429 202 L N 5.672 126.890 121.223 -0.008 0.000 2.410 202 L HA 0.282 4.622 4.340 0.001 0.000 0.273 202 L C -0.355 176.398 176.870 -0.195 0.000 1.144 202 L CA 0.101 54.787 54.840 -0.256 0.000 0.863 202 L CB 0.070 41.980 42.059 -0.249 0.000 1.140 202 L HN 0.556 nan 8.230 nan 0.000 0.463 203 I N 1.080 121.506 120.570 -0.241 0.000 2.750 203 I HA 0.569 4.739 4.170 0.001 0.000 0.308 203 I C 0.239 176.236 176.117 -0.201 0.000 1.016 203 I CA -0.760 60.423 61.300 -0.195 0.000 1.098 203 I CB 1.751 39.635 38.000 -0.193 0.000 1.279 203 I HN 0.490 nan 8.210 nan 0.000 0.454 204 S N 2.697 118.279 115.700 -0.197 0.000 2.558 204 S HA 0.060 4.531 4.470 0.001 0.000 0.288 204 S C -0.419 174.072 174.600 -0.182 0.000 1.318 204 S CA -0.068 58.028 58.200 -0.174 0.000 1.056 204 S CB -0.068 63.015 63.200 -0.195 0.000 0.853 204 S HN 0.495 nan 8.310 nan 0.000 0.505 205 Y N 2.206 122.352 120.300 -0.257 0.000 2.357 205 Y HA 0.124 4.674 4.550 0.000 0.000 0.340 205 Y C 0.951 176.655 175.900 -0.326 0.000 1.260 205 Y CA -0.393 57.543 58.100 -0.273 0.000 1.425 205 Y CB 0.305 38.645 38.460 -0.199 0.000 1.326 205 Y HN 0.594 nan 8.280 nan 0.000 0.580 206 T N 6.258 120.230 114.554 -0.972 0.000 2.750 206 T HA 0.503 4.853 4.350 0.001 0.000 0.286 206 T C -0.660 173.697 174.700 -0.571 0.000 0.911 206 T CA -0.060 61.550 62.100 -0.817 0.000 1.130 206 T CB -0.828 67.390 68.868 -1.084 0.000 0.873 206 T HN 0.630 nan 8.240 nan 0.000 0.536 212 Q N -0.302 119.475 119.800 -0.039 0.000 2.389 212 Q HA 0.702 5.042 4.340 0.001 0.000 0.277 212 Q C -0.787 175.185 176.000 -0.046 0.000 1.082 212 Q CA -0.684 55.097 55.803 -0.036 0.000 0.810 212 Q CB 1.939 30.659 28.738 -0.030 0.000 1.374 212 Q HN 0.468 nan 8.270 nan 0.000 0.422 213 S N 0.506 116.182 115.700 -0.040 0.000 2.560 213 S HA 0.401 4.871 4.470 0.001 0.000 0.284 213 S C 0.897 175.468 174.600 -0.049 0.000 1.327 213 S CA 0.897 59.071 58.200 -0.044 0.000 1.055 213 S CB 0.431 63.611 63.200 -0.034 0.000 0.868 213 S HN 1.152 nan 8.310 nan 0.000 0.506 214 G N 1.751 110.515 108.800 -0.060 0.000 2.147 214 G HA2 -0.228 3.732 3.960 0.001 0.000 0.244 214 G HA3 -0.228 3.732 3.960 0.001 0.000 0.244 214 G C 0.114 174.970 174.900 -0.074 0.000 1.005 214 G CA 0.208 45.270 45.100 -0.064 0.000 0.713 214 G HN 1.080 nan 8.290 nan 0.000 0.515 215 T N -3.125 111.376 114.554 -0.088 0.000 2.942 215 T HA 0.672 5.022 4.350 0.001 0.000 0.289 215 T C -0.094 174.527 174.700 -0.132 0.000 1.044 215 T CA -0.354 61.688 62.100 -0.098 0.000 1.023 215 T CB 2.727 71.543 68.868 -0.088 0.000 1.123 215 T HN 1.219 nan 8.240 nan 0.000 0.512 216 c N 2.772 121.290 118.600 -0.136 0.000 2.431 216 c HA 0.675 5.245 4.570 0.001 0.000 0.321 216 c C -0.927 173.063 174.090 -0.166 0.000 1.202 216 c CA -0.981 55.251 56.329 -0.162 0.000 1.398 216 c CB -0.369 42.049 42.510 -0.154 0.000 2.047 216 c HN 0.862 nan 8.230 nan 0.000 0.465 217 I N 5.826 126.275 120.570 -0.201 0.000 2.304 217 I HA 0.392 4.562 4.170 0.001 0.000 0.291 217 I C 0.733 176.758 176.117 -0.153 0.000 1.018 217 I CA 0.649 61.788 61.300 -0.269 0.000 1.260 217 I CB 0.839 38.622 38.000 -0.362 0.000 1.390 217 I HN 0.792 nan 8.210 nan 0.000 0.475 218 T N 3.551 118.042 114.554 -0.106 0.000 2.742 218 T HA 0.271 4.622 4.350 0.001 0.000 0.282 218 T C -0.496 174.196 174.700 -0.013 0.000 1.025 218 T CA -0.291 61.782 62.100 -0.044 0.000 1.020 218 T CB 1.106 69.945 68.868 -0.048 0.000 1.317 218 T HN 0.657 nan 8.240 nan 0.000 0.538 219 D N 1.532 121.926 120.400 -0.010 0.000 2.740 219 D HA -0.094 4.546 4.640 0.001 0.000 0.231 219 D C -2.400 173.879 176.300 -0.034 0.000 1.194 219 D CA 0.224 54.214 54.000 -0.018 0.000 0.673 219 D CB -0.198 40.576 40.800 -0.044 0.000 0.995 219 D HN 0.280 nan 8.370 nan 0.000 0.411 220 P HA 0.287 nan 4.420 nan 0.000 0.277 220 P C -0.322 176.914 177.300 -0.106 0.000 1.240 220 P CA -0.635 62.429 63.100 -0.060 0.000 0.798 220 P CB 1.244 32.973 31.700 0.048 0.000 0.979 221 L N 2.899 124.002 121.223 -0.200 0.000 2.408 221 L HA 0.665 5.005 4.340 0.001 0.000 0.268 221 L C -1.784 175.037 176.870 -0.082 0.000 0.986 221 L CA -1.126 53.640 54.840 -0.123 0.000 0.820 221 L CB 1.967 43.962 42.059 -0.108 0.000 1.303 221 L HN 0.199 nan 8.230 nan 0.000 0.411 222 L N 4.650 125.894 121.223 0.036 0.000 2.431 222 L HA 0.934 5.275 4.340 0.001 0.000 0.266 222 L C -1.162 175.779 176.870 0.118 0.000 0.978 222 L CA -0.129 54.784 54.840 0.120 0.000 0.822 222 L CB 1.903 44.044 42.059 0.138 0.000 1.310 222 L HN 0.753 nan 8.230 nan 0.000 0.409 223 A N 5.588 128.488 122.820 0.134 0.000 2.435 223 A HA 0.953 5.273 4.320 0.001 0.000 0.304 223 A C -1.281 176.453 177.584 0.249 0.000 1.064 223 A CA -0.583 51.565 52.037 0.186 0.000 0.727 223 A CB 1.633 20.743 19.000 0.183 0.000 1.284 223 A HN 0.680 nan 8.150 nan 0.000 0.415 224 M N 1.526 121.299 119.600 0.289 0.000 2.386 224 M HA 0.514 4.995 4.480 0.001 0.000 0.293 224 M C -1.869 174.580 176.300 0.248 0.000 1.120 224 M CA -0.495 54.956 55.300 0.250 0.000 0.909 224 M CB 2.653 35.299 32.600 0.078 0.000 1.661 224 M HN 0.733 nan 8.290 nan 0.000 0.452 225 D N 1.581 122.072 120.400 0.151 0.000 2.878 225 D HA 0.192 4.832 4.640 0.001 0.000 0.211 225 D C -0.674 175.486 176.300 -0.233 0.000 1.271 225 D CA 0.373 54.384 54.000 0.018 0.000 0.845 225 D CB 1.492 42.340 40.800 0.080 0.000 1.679 225 D HN 0.675 nan 8.370 nan 0.000 0.536 226 E N 1.726 121.828 120.200 -0.163 0.000 2.586 226 E HA -0.217 4.134 4.350 0.001 0.000 0.259 226 E C 0.765 177.097 176.600 -0.446 0.000 1.107 226 E CA 1.328 57.599 56.400 -0.216 0.000 0.754 226 E CB -1.447 28.153 29.700 -0.167 0.000 1.335 226 E HN 1.038 nan 8.360 nan 0.000 0.411 227 G N -1.499 107.025 108.800 -0.460 0.000 2.157 227 G HA2 -0.340 3.620 3.960 0.001 0.000 0.248 227 G HA3 -0.340 3.620 3.960 0.001 0.000 0.248 227 G C -0.126 174.313 174.900 -0.768 0.000 0.979 227 G CA 0.588 45.308 45.100 -0.632 0.000 0.650 227 G HN 0.254 nan 8.290 nan 0.000 0.529 228 Y N -0.610 119.594 120.300 -0.161 0.000 2.630 228 Y HA 0.802 5.352 4.550 0.001 0.000 0.337 228 Y C 0.224 176.233 175.900 0.182 0.000 1.051 228 Y CA -1.479 56.604 58.100 -0.028 0.000 1.121 228 Y CB 1.350 39.734 38.460 -0.126 0.000 1.299 228 Y HN 0.465 nan 8.280 nan 0.000 0.498 229 F N -0.697 119.431 119.950 0.297 0.000 2.662 229 F HA 0.995 5.522 4.527 0.000 0.000 0.312 229 F C -1.394 174.301 175.800 -0.174 0.000 1.113 229 F CA -1.597 56.462 58.000 0.098 0.000 0.951 229 F CB 1.163 40.150 39.000 -0.023 0.000 1.344 229 F HN 0.584 nan 8.300 nan 0.000 0.462 230 A N 1.596 124.173 122.820 -0.405 0.000 2.413 230 A HA 0.829 5.149 4.320 0.001 0.000 0.307 230 A C -2.409 175.214 177.584 0.066 0.000 1.087 230 A CA -0.820 50.908 52.037 -0.515 0.000 0.750 230 A CB 1.543 19.899 19.000 -1.074 0.000 1.296 230 A HN 1.249 nan 8.150 nan 0.000 0.423 231 Y N 0.360 120.626 120.300 -0.056 0.000 2.519 231 Y HA 0.638 5.188 4.550 0.000 0.000 0.336 231 Y C -0.552 175.330 175.900 -0.029 0.000 1.089 231 Y CA -0.183 57.933 58.100 0.027 0.000 1.025 231 Y CB 1.927 40.460 38.460 0.122 0.000 1.318 231 Y HN 0.973 nan 8.280 nan 0.000 0.452 232 S N 4.580 119.782 115.700 -0.830 0.000 2.579 232 S HA 0.706 5.177 4.470 0.001 0.000 0.272 232 S C -1.872 172.282 174.600 -0.743 0.000 1.141 232 S CA -0.406 57.413 58.200 -0.635 0.000 0.843 232 S CB 1.124 64.168 63.200 -0.260 0.000 1.122 232 S HN 1.028 nan 8.310 nan 0.000 0.468 233 H N 1.035 119.882 119.070 -0.372 0.000 2.981 233 H HA 0.689 5.245 4.556 0.000 0.000 0.327 233 H C -2.096 173.164 175.328 -0.114 0.000 1.342 233 H CA -0.998 54.929 56.048 -0.201 0.000 1.123 233 H CB 0.998 30.727 29.762 -0.055 0.000 1.851 233 H HN 0.514 nan 8.280 nan 0.000 0.531 234 L N 1.681 123.010 121.223 0.176 0.000 2.305 234 L HA 0.314 4.654 4.340 0.001 0.000 0.284 234 L C -0.157 176.735 176.870 0.036 0.000 1.013 234 L CA -0.261 54.631 54.840 0.087 0.000 0.819 234 L CB 1.575 43.608 42.059 -0.044 0.000 1.227 234 L HN 0.793 nan 8.230 nan 0.000 0.417 235 E N 5.448 125.680 120.200 0.054 0.000 2.130 235 E HA 0.360 4.710 4.350 0.001 0.000 0.284 235 E C -0.863 175.706 176.600 -0.052 0.000 1.018 235 E CA -0.526 55.840 56.400 -0.057 0.000 0.817 235 E CB 0.661 30.354 29.700 -0.013 0.000 1.078 235 E HN 0.588 nan 8.360 nan 0.000 0.396 236 R N 3.951 124.407 120.500 -0.073 0.000 2.604 236 R HA 0.473 4.813 4.340 0.001 0.000 0.287 236 R C -0.347 175.914 176.300 -0.064 0.000 0.970 236 R CA -0.855 55.208 56.100 -0.062 0.000 0.946 236 R CB 1.478 31.741 30.300 -0.061 0.000 1.127 236 R HN 0.538 nan 8.270 nan 0.000 0.473 237 I N 2.389 122.928 120.570 -0.051 0.000 2.307 237 I HA 0.349 4.519 4.170 0.001 0.000 0.289 237 I C 0.864 176.953 176.117 -0.047 0.000 1.021 237 I CA 0.431 61.701 61.300 -0.049 0.000 1.224 237 I CB 1.242 39.219 38.000 -0.038 0.000 1.376 237 I HN 0.945 nan 8.210 nan 0.000 0.470 238 G N 4.631 113.398 108.800 -0.056 0.000 2.443 238 G HA2 -0.190 3.771 3.960 0.001 0.000 0.209 238 G HA3 -0.190 3.771 3.960 0.001 0.000 0.209 238 G C -0.183 174.678 174.900 -0.066 0.000 1.176 238 G CA -0.239 44.829 45.100 -0.053 0.000 1.074 238 G HN 0.804 nan 8.290 nan 0.000 0.577 239 S N -0.634 115.034 115.700 -0.055 0.000 2.579 239 S HA 0.334 4.804 4.470 0.001 0.000 0.275 239 S C 1.608 176.169 174.600 -0.065 0.000 1.345 239 S CA 0.610 58.774 58.200 -0.061 0.000 1.031 239 S CB 1.048 64.225 63.200 -0.039 0.000 0.892 239 S HN 1.444 nan 8.310 nan 0.000 0.529 240 c N 2.042 120.595 118.600 -0.078 0.000 2.422 240 c HA -0.015 4.555 4.570 0.001 0.000 0.279 240 c C 2.954 177.022 174.090 -0.038 0.000 1.305 240 c CA 1.046 57.332 56.329 -0.071 0.000 1.757 240 c CB -1.723 40.740 42.510 -0.079 0.000 1.962 240 c HN 0.967 nan 8.230 nan 0.000 0.499 241 S N -0.637 115.048 115.700 -0.024 0.000 2.456 241 S HA 0.067 4.537 4.470 0.001 0.000 0.224 241 S C 1.629 176.231 174.600 0.004 0.000 1.035 241 S CA 0.596 58.794 58.200 -0.004 0.000 0.940 241 S CB 0.015 63.215 63.200 0.000 0.000 0.799 241 S HN 0.642 nan 8.310 nan 0.000 0.508 242 R N 0.588 121.085 120.500 -0.006 0.000 2.538 242 R HA 0.214 4.555 4.340 0.001 0.000 0.372 242 R C 0.716 177.010 176.300 -0.010 0.000 0.950 242 R CA -0.167 55.932 56.100 -0.000 0.000 1.168 242 R CB 0.792 31.094 30.300 0.003 0.000 1.542 242 R HN 0.256 nan 8.270 nan 0.000 0.536 243 G N 1.069 109.855 108.800 -0.022 0.000 2.614 243 G HA2 0.163 4.124 3.960 0.001 0.000 0.239 243 G HA3 0.163 4.124 3.960 0.001 0.000 0.239 243 G C 0.326 175.211 174.900 -0.025 0.000 1.240 243 G CA -0.340 44.743 45.100 -0.029 0.000 0.842 243 G HN -0.067 nan 8.290 nan 0.000 0.584 244 V N 1.036 120.935 119.914 -0.026 0.000 2.673 244 V HA 0.035 4.156 4.120 0.001 0.000 0.303 244 V C 0.925 176.999 176.094 -0.033 0.000 1.046 244 V CA 0.104 62.390 62.300 -0.024 0.000 1.126 244 V CB 1.109 32.918 31.823 -0.023 0.000 0.934 244 V HN 0.690 nan 8.190 nan 0.000 0.487 245 S N 4.701 120.380 115.700 -0.036 0.000 2.455 245 S HA 0.130 4.601 4.470 0.001 0.000 0.278 245 S C 0.939 175.510 174.600 -0.049 0.000 1.216 245 S CA -0.344 57.825 58.200 -0.051 0.000 1.055 245 S CB 0.712 63.870 63.200 -0.070 0.000 0.939 245 S HN 0.819 nan 8.310 nan 0.000 0.494 246 K N 2.680 123.053 120.400 -0.044 0.000 2.121 246 K HA 0.166 4.486 4.320 0.001 0.000 0.203 246 K C 0.522 177.097 176.600 -0.043 0.000 1.041 246 K CA 0.566 56.830 56.287 -0.038 0.000 0.969 246 K CB 0.235 32.717 32.500 -0.030 0.000 0.799 246 K HN 0.648 nan 8.250 nan 0.000 0.456 247 Q N 0.228 120.009 119.800 -0.032 0.000 2.320 247 Q HA 0.231 4.571 4.340 0.001 0.000 0.272 247 Q C -1.930 174.053 176.000 -0.029 0.000 1.023 247 Q CA -0.908 54.870 55.803 -0.041 0.000 0.855 247 Q CB 1.887 30.619 28.738 -0.010 0.000 1.367 247 Q HN 0.014 nan 8.270 nan 0.000 0.406 248 R N 4.091 124.525 120.500 -0.110 0.000 2.338 248 R HA 0.600 4.940 4.340 0.001 0.000 0.317 248 R C -1.118 175.063 176.300 -0.198 0.000 0.968 248 R CA -0.389 55.630 56.100 -0.135 0.000 0.849 248 R CB 0.780 30.967 30.300 -0.189 0.000 1.128 248 R HN 0.669 nan 8.270 nan 0.000 0.448 249 I N 2.064 122.493 120.570 -0.235 0.000 2.474 249 I HA 0.578 4.748 4.170 0.001 0.000 0.294 249 I C -1.003 175.011 176.117 -0.172 0.000 1.005 249 I CA -1.021 60.139 61.300 -0.234 0.000 1.113 249 I CB 1.895 39.748 38.000 -0.245 0.000 1.289 249 I HN 0.547 nan 8.210 nan 0.000 0.436 250 I N 5.602 126.146 120.570 -0.043 0.000 2.410 250 I HA 0.656 4.826 4.170 0.001 0.000 0.286 250 I C 0.199 176.371 176.117 0.091 0.000 1.009 250 I CA -0.402 60.926 61.300 0.047 0.000 1.111 250 I CB 1.728 39.833 38.000 0.175 0.000 1.262 250 I HN 0.865 nan 8.210 nan 0.000 0.443 251 G N 5.003 113.847 108.800 0.075 0.000 2.574 251 G HA2 0.776 4.736 3.960 0.001 0.000 0.299 251 G HA3 0.776 4.736 3.960 0.001 0.000 0.299 251 G C -1.074 173.775 174.900 -0.085 0.000 1.298 251 G CA -0.609 44.517 45.100 0.043 0.000 0.952 251 G HN 0.491 nan 8.290 nan 0.000 0.477 252 V N -1.695 118.094 119.914 -0.209 0.000 3.141 252 V HA 1.092 5.212 4.120 0.001 0.000 0.312 252 V C 0.275 175.979 176.094 -0.650 0.000 1.157 252 V CA 0.021 62.026 62.300 -0.493 0.000 1.041 252 V CB 1.499 33.195 31.823 -0.211 0.000 1.071 252 V HN 1.965 nan 8.190 nan 0.000 0.441 253 G N 0.629 108.831 108.800 -0.997 0.000 2.428 253 G HA2 0.534 4.494 3.960 0.001 0.000 0.305 253 G HA3 0.534 4.494 3.960 0.001 0.000 0.305 253 G C -1.764 173.069 174.900 -0.112 0.000 1.260 253 G CA -0.636 44.161 45.100 -0.504 0.000 0.853 253 G HN 0.864 nan 8.290 nan 0.000 0.480 254 E N -0.904 119.470 120.200 0.291 0.000 2.207 254 E HA 0.549 4.899 4.350 0.001 0.000 0.270 254 E C -0.918 175.893 176.600 0.352 0.000 0.927 254 E CA -0.786 55.789 56.400 0.291 0.000 0.799 254 E CB 2.875 32.671 29.700 0.160 0.000 1.172 254 E HN 0.209 nan 8.360 nan 0.000 0.404 255 V N 4.269 124.234 119.914 0.086 0.000 2.350 255 V HA 0.364 4.484 4.120 0.001 0.000 0.276 255 V C -0.199 175.849 176.094 -0.076 0.000 1.028 255 V CA -0.341 61.925 62.300 -0.056 0.000 0.860 255 V CB 0.162 31.771 31.823 -0.357 0.000 0.990 255 V HN 0.446 nan 8.190 nan 0.000 0.453 256 L N 2.676 123.938 121.223 0.065 0.000 2.371 256 L HA 0.567 4.908 4.340 0.001 0.000 0.262 256 L C -0.342 176.533 176.870 0.007 0.000 1.006 256 L CA -0.938 53.889 54.840 -0.022 0.000 0.818 256 L CB 2.254 44.213 42.059 -0.167 0.000 1.354 256 L HN 0.454 nan 8.230 nan 0.000 0.415 257 D N 1.507 121.863 120.400 -0.075 0.000 2.472 257 D HA -0.032 4.608 4.640 0.001 0.000 0.248 257 D C 1.142 177.422 176.300 -0.033 0.000 1.174 257 D CA 0.150 54.101 54.000 -0.081 0.000 0.883 257 D CB 1.007 41.757 40.800 -0.084 0.000 1.149 257 D HN 0.558 nan 8.370 nan 0.000 0.488 258 R N 2.991 123.507 120.500 0.026 0.000 2.276 258 R HA 0.090 4.430 4.340 0.001 0.000 0.203 258 R C 1.210 177.530 176.300 0.035 0.000 1.017 258 R CA 0.790 56.970 56.100 0.133 0.000 1.010 258 R CB 0.219 30.589 30.300 0.118 0.000 0.900 258 R HN 0.504 nan 8.270 nan 0.000 0.469 259 G N 1.219 110.010 108.800 -0.015 0.000 3.033 259 G HA2 -0.200 3.761 3.960 0.001 0.000 0.208 259 G HA3 -0.200 3.761 3.960 0.001 0.000 0.208 259 G C -0.157 174.733 174.900 -0.015 0.000 1.006 259 G CA 0.108 45.196 45.100 -0.020 0.000 0.808 259 G HN 0.475 nan 8.290 nan 0.000 0.499 260 D N 0.685 121.076 120.400 -0.015 0.000 2.696 260 D HA 0.283 4.924 4.640 0.001 0.000 0.269 260 D C 0.592 176.896 176.300 0.008 0.000 1.319 260 D CA 0.144 54.145 54.000 0.000 0.000 0.826 260 D CB -0.479 40.325 40.800 0.008 0.000 1.086 260 D HN 0.506 nan 8.370 nan 0.000 0.481 261 E N -0.880 119.310 120.200 -0.016 0.000 2.637 261 E HA -0.134 4.217 4.350 0.001 0.000 0.265 261 E C -0.814 175.732 176.600 -0.090 0.000 1.073 261 E CA 0.350 56.745 56.400 -0.008 0.000 0.778 261 E CB -1.482 28.265 29.700 0.079 0.000 1.362 261 E HN 0.231 nan 8.360 nan 0.000 0.413 262 V N 1.185 120.961 119.914 -0.230 0.000 2.448 262 V HA 0.364 4.484 4.120 0.001 0.000 0.295 262 V C -1.823 173.956 176.094 -0.526 0.000 1.025 262 V CA -1.647 60.318 62.300 -0.559 0.000 0.859 262 V CB 1.775 33.443 31.823 -0.259 0.000 0.988 262 V HN -0.016 nan 8.190 nan 0.000 0.431 263 P HA 0.391 nan 4.420 nan 0.000 0.274 263 P C -0.540 176.621 177.300 -0.232 0.000 1.231 263 P CA -0.035 62.849 63.100 -0.359 0.000 0.790 263 P CB 1.432 32.990 31.700 -0.237 0.000 0.951 264 S N 0.522 116.147 115.700 -0.125 0.000 2.656 264 S HA 0.531 5.002 4.470 0.001 0.000 0.273 264 S C -0.814 173.586 174.600 -0.335 0.000 1.168 264 S CA -0.699 57.346 58.200 -0.257 0.000 0.817 264 S CB 0.949 63.957 63.200 -0.319 0.000 1.146 264 S HN 0.270 nan 8.310 nan 0.000 0.475 265 L N 1.892 122.732 121.223 -0.638 0.000 2.307 265 L HA 0.584 4.925 4.340 0.001 0.000 0.284 265 L C -1.580 174.855 176.870 -0.725 0.000 1.023 265 L CA -0.338 54.116 54.840 -0.644 0.000 0.810 265 L CB 0.677 42.083 42.059 -1.088 0.000 1.231 265 L HN 0.555 nan 8.230 nan 0.000 0.423 266 F N 3.114 123.113 119.950 0.081 0.000 2.434 266 F HA 0.380 4.907 4.527 0.000 0.000 0.355 266 F C 0.383 176.326 175.800 0.238 0.000 1.115 266 F CA -0.649 57.415 58.000 0.106 0.000 1.010 266 F CB 1.741 40.767 39.000 0.043 0.000 1.234 266 F HN 0.396 nan 8.300 nan 0.000 0.439 267 M N 2.792 122.559 119.600 0.277 0.000 2.239 267 M HA 0.167 4.647 4.480 0.001 0.000 0.348 267 M C 1.050 177.412 176.300 0.103 0.000 1.239 267 M CA 0.675 56.088 55.300 0.190 0.000 1.114 267 M CB 0.676 33.339 32.600 0.105 0.000 1.641 267 M HN 0.732 nan 8.290 nan 0.000 0.453 268 T N 0.173 114.742 114.554 0.025 0.000 2.959 268 T HA 0.347 4.697 4.350 0.001 0.000 0.254 268 T C 0.125 174.832 174.700 0.012 0.000 1.003 268 T CA -0.277 61.840 62.100 0.027 0.000 0.950 268 T CB 0.016 68.897 68.868 0.022 0.000 1.090 268 T HN 0.601 nan 8.240 nan 0.000 0.503 269 N N 0.470 119.165 118.700 -0.008 0.000 2.578 269 N HA 0.418 5.159 4.740 0.001 0.000 0.282 269 N C -2.100 173.427 175.510 0.028 0.000 1.119 269 N CA -0.285 52.773 53.050 0.012 0.000 0.948 269 N CB 2.146 40.629 38.487 -0.007 0.000 1.546 269 N HN 0.090 nan 8.380 nan 0.000 0.525 270 V N 2.974 122.928 119.914 0.066 0.000 2.656 270 V HA 0.598 4.719 4.120 0.001 0.000 0.307 270 V C -0.938 175.260 176.094 0.173 0.000 1.051 270 V CA -0.725 61.629 62.300 0.089 0.000 0.893 270 V CB 1.949 33.800 31.823 0.047 0.000 0.999 270 V HN 0.671 nan 8.190 nan 0.000 0.426 271 W N 3.213 124.498 121.300 -0.025 0.000 2.702 271 W HA 0.720 5.381 4.660 0.000 0.000 0.331 271 W C -0.450 176.050 176.519 -0.032 0.000 1.049 271 W CA -0.351 56.980 57.345 -0.023 0.000 1.230 271 W CB 2.096 31.542 29.460 -0.024 0.000 1.408 271 W HN 0.515 nan 8.180 nan 0.000 0.492 272 T N 7.621 121.690 114.554 -0.809 0.000 2.791 272 T HA 0.342 4.692 4.350 0.001 0.000 0.288 272 T C -2.505 171.429 174.700 -1.276 0.000 0.999 272 T CA -1.201 60.423 62.100 -0.793 0.000 0.952 272 T CB 1.262 69.896 68.868 -0.389 0.000 0.938 272 T HN 0.092 nan 8.240 nan 0.000 0.444 273 P HA 0.116 nan 4.420 nan 0.000 0.267 273 P C -1.500 175.525 177.300 -0.458 0.000 1.200 273 P CA -1.233 61.267 63.100 -1.000 0.000 0.772 273 P CB 0.288 31.645 31.700 -0.572 0.000 0.855 274 P HA -0.149 nan 4.420 nan 0.000 0.217 274 P C 0.155 177.391 177.300 -0.106 0.000 1.150 274 P CA 1.639 64.666 63.100 -0.122 0.000 0.832 274 P CB 0.233 31.917 31.700 -0.027 0.000 0.787 275 N N -0.087 118.554 118.700 -0.098 0.000 2.524 275 N HA 0.162 4.902 4.740 0.001 0.000 0.261 275 N C -1.900 173.545 175.510 -0.108 0.000 0.998 275 N CA -2.373 50.632 53.050 -0.075 0.000 0.915 275 N CB 1.498 39.967 38.487 -0.030 0.000 1.187 275 N HN -0.128 nan 8.380 nan 0.000 0.507 276 P HA -0.009 nan 4.420 nan 0.000 0.226 276 P C 0.079 177.280 177.300 -0.165 0.000 1.153 276 P CA 0.932 63.945 63.100 -0.145 0.000 0.777 276 P CB 0.483 32.115 31.700 -0.113 0.000 0.794 277 N N -0.529 118.104 118.700 -0.111 0.000 2.463 277 N HA -0.046 4.695 4.740 0.001 0.000 0.181 277 N C 1.231 176.690 175.510 -0.086 0.000 1.078 277 N CA 1.270 54.267 53.050 -0.088 0.000 0.902 277 N CB -0.312 38.169 38.487 -0.009 0.000 0.970 277 N HN 0.257 nan 8.380 nan 0.000 0.451 278 T N -3.479 111.024 114.554 -0.085 0.000 3.044 278 T HA 0.276 4.626 4.350 0.001 0.000 0.260 278 T C 0.143 174.863 174.700 0.033 0.000 1.019 278 T CA -0.293 61.848 62.100 0.068 0.000 0.921 278 T CB -0.003 68.922 68.868 0.095 0.000 1.053 278 T HN -0.240 nan 8.240 nan 0.000 0.533 279 V N 2.064 121.831 119.914 -0.245 0.000 2.398 279 V HA 0.617 4.737 4.120 0.001 0.000 0.286 279 V C -1.237 174.579 176.094 -0.464 0.000 1.026 279 V CA -0.930 61.269 62.300 -0.169 0.000 0.868 279 V CB 0.710 32.467 31.823 -0.110 0.000 0.982 279 V HN 0.436 nan 8.190 nan 0.000 0.443 280 Y N 2.042 122.314 120.300 -0.046 0.000 2.553 280 Y HA 0.538 5.088 4.550 0.000 0.000 0.347 280 Y C 0.547 176.413 175.900 -0.057 0.000 1.019 280 Y CA -0.992 57.013 58.100 -0.158 0.000 1.032 280 Y CB 1.472 39.798 38.460 -0.224 0.000 1.284 280 Y HN 0.705 nan 8.280 nan 0.000 0.466 281 H N -0.813 118.367 119.070 0.183 0.000 2.692 281 H HA -0.193 4.363 4.556 0.001 0.000 0.316 281 H C -0.350 175.049 175.328 0.118 0.000 1.176 281 H CA 0.105 56.250 56.048 0.162 0.000 1.142 281 H CB -1.637 28.229 29.762 0.173 0.000 1.475 281 H HN 0.596 nan 8.280 nan 0.000 0.423 282 c N 0.577 119.261 118.600 0.140 0.000 2.703 282 c HA 0.399 4.970 4.570 0.001 0.000 0.411 282 c C 1.388 175.567 174.090 0.147 0.000 1.290 282 c CA 0.219 56.616 56.329 0.112 0.000 2.054 282 c CB 1.179 43.724 42.510 0.059 0.000 2.732 282 c HN 0.687 nan 8.230 nan 0.000 0.650 283 S N 0.597 116.404 115.700 0.178 0.000 2.546 283 S HA 0.740 5.210 4.470 0.001 0.000 0.272 283 S C -0.858 174.013 174.600 0.452 0.000 1.140 283 S CA -0.253 58.126 58.200 0.299 0.000 0.920 283 S CB 1.228 64.656 63.200 0.381 0.000 1.083 283 S HN 1.149 nan 8.310 nan 0.000 0.476 284 A N 3.237 126.313 122.820 0.427 0.000 2.350 284 A HA 0.877 5.197 4.320 0.001 0.000 0.324 284 A C -1.190 176.668 177.584 0.456 0.000 1.118 284 A CA -0.579 51.742 52.037 0.473 0.000 0.783 284 A CB 1.476 20.613 19.000 0.229 0.000 1.236 284 A HN 0.842 nan 8.150 nan 0.000 0.457 285 V N 2.026 122.209 119.914 0.449 0.000 2.709 285 V HA 0.328 4.449 4.120 0.001 0.000 0.308 285 V C -1.116 175.129 176.094 0.252 0.000 1.062 285 V CA -0.541 61.868 62.300 0.182 0.000 0.901 285 V CB 1.691 33.278 31.823 -0.394 0.000 1.003 285 V HN 0.874 nan 8.190 nan 0.000 0.425 286 Y N 4.289 124.503 120.300 -0.143 0.000 2.310 286 Y HA 0.696 5.246 4.550 0.000 0.000 0.326 286 Y C -0.052 175.787 175.900 -0.102 0.000 1.151 286 Y CA -0.120 57.678 58.100 -0.504 0.000 1.195 286 Y CB 1.370 39.376 38.460 -0.756 0.000 1.210 286 Y HN 0.789 nan 8.280 nan 0.000 0.483 287 N N 4.016 122.198 118.700 -0.863 0.000 2.600 287 N HA 0.219 4.959 4.740 0.001 0.000 0.272 287 N C -1.995 173.188 175.510 -0.544 0.000 1.095 287 N CA -0.485 52.222 53.050 -0.571 0.000 0.993 287 N CB 0.616 39.000 38.487 -0.171 0.000 1.603 287 N HN 0.706 nan 8.380 nan 0.000 0.526 288 N N 3.374 121.803 118.700 -0.451 0.000 2.669 288 N HA -0.212 4.529 4.740 0.001 0.000 0.266 288 N C -0.831 174.576 175.510 -0.172 0.000 1.024 288 N CA 1.633 54.599 53.050 -0.140 0.000 0.766 288 N CB -0.758 37.743 38.487 0.022 0.000 0.898 288 N HN 0.907 nan 8.380 nan 0.000 0.548 289 E N -3.202 116.777 120.200 -0.368 0.000 3.763 289 E HA -0.253 4.097 4.350 0.001 0.000 0.319 289 E C -0.749 175.316 176.600 -0.892 0.000 0.804 289 E CA 0.994 57.103 56.400 -0.485 0.000 1.196 289 E CB -1.402 28.054 29.700 -0.408 0.000 1.607 289 E HN 0.505 nan 8.360 nan 0.000 0.431 290 F N -0.628 119.048 119.950 -0.457 0.000 2.576 290 F HA 0.541 5.068 4.527 0.000 0.000 0.313 290 F C -0.029 175.520 175.800 -0.418 0.000 1.078 290 F CA -0.906 56.834 58.000 -0.433 0.000 0.921 290 F CB 1.060 39.721 39.000 -0.565 0.000 1.232 290 F HN -0.180 nan 8.300 nan 0.000 0.459 291 Y N 0.999 121.273 120.300 -0.044 0.000 2.323 291 Y HA 0.441 4.991 4.550 0.000 0.000 0.331 291 Y C -0.947 174.871 175.900 -0.136 0.000 1.092 291 Y CA -0.557 57.573 58.100 0.050 0.000 1.150 291 Y CB 1.121 39.638 38.460 0.096 0.000 1.200 291 Y HN 0.411 nan 8.280 nan 0.000 0.472 292 Y N 2.427 122.919 120.300 0.320 0.000 2.331 292 Y HA 0.524 5.074 4.550 0.001 0.000 0.338 292 Y C -0.657 175.466 175.900 0.371 0.000 0.976 292 Y CA -0.999 57.256 58.100 0.259 0.000 1.137 292 Y CB 1.247 39.854 38.460 0.245 0.000 1.172 292 Y HN 0.166 nan 8.280 nan 0.000 0.478 293 V N 5.680 125.773 119.914 0.299 0.000 2.350 293 V HA 0.292 4.412 4.120 0.001 0.000 0.285 293 V C -0.780 175.338 176.094 0.041 0.000 1.014 293 V CA -0.735 61.699 62.300 0.223 0.000 0.831 293 V CB 1.433 33.340 31.823 0.140 0.000 1.000 293 V HN 0.510 nan 8.190 nan 0.000 0.433 294 L N 6.455 127.613 121.223 -0.107 0.000 2.282 294 L HA 0.775 5.115 4.340 0.001 0.000 0.288 294 L C -0.366 176.438 176.870 -0.110 0.000 1.033 294 L CA 0.424 55.066 54.840 -0.331 0.000 0.807 294 L CB 0.876 42.345 42.059 -0.984 0.000 1.209 294 L HN 0.795 nan 8.230 nan 0.000 0.423 295 c N 3.182 121.768 118.600 -0.023 0.000 2.889 295 c HA 0.888 5.458 4.570 0.001 0.000 0.307 295 c C 0.286 174.458 174.090 0.136 0.000 1.251 295 c CA -1.094 55.282 56.329 0.079 0.000 1.593 295 c CB 1.345 43.912 42.510 0.096 0.000 2.104 295 c HN 0.997 nan 8.230 nan 0.000 0.476 296 A N 1.040 123.984 122.820 0.205 0.000 2.363 296 A HA 0.650 4.970 4.320 0.001 0.000 0.270 296 A C -0.520 177.258 177.584 0.323 0.000 1.121 296 A CA -0.133 52.087 52.037 0.304 0.000 0.800 296 A CB 0.225 19.304 19.000 0.131 0.000 1.052 296 A HN 0.793 nan 8.150 nan 0.000 0.493 297 V N 2.250 122.403 119.914 0.397 0.000 2.370 297 V HA 0.613 4.734 4.120 0.001 0.000 0.283 297 V C 0.321 176.710 176.094 0.492 0.000 1.023 297 V CA -0.150 62.357 62.300 0.346 0.000 0.857 297 V CB 1.202 33.161 31.823 0.228 0.000 0.985 297 V HN 0.926 nan 8.190 nan 0.000 0.443 298 S N 2.575 118.530 115.700 0.425 0.000 2.547 298 S HA 0.482 4.953 4.470 0.001 0.000 0.281 298 S C 0.538 175.306 174.600 0.281 0.000 1.118 298 S CA 0.094 58.522 58.200 0.379 0.000 0.947 298 S CB 1.971 65.218 63.200 0.078 0.000 1.053 298 S HN 0.935 nan 8.310 nan 0.000 0.482 299 T N 0.801 115.484 114.554 0.215 0.000 3.105 299 T HA 0.181 4.531 4.350 0.001 0.000 0.253 299 T C 0.957 175.719 174.700 0.103 0.000 1.047 299 T CA 0.508 62.694 62.100 0.143 0.000 0.944 299 T CB -0.248 68.683 68.868 0.105 0.000 1.016 299 T HN 0.951 nan 8.240 nan 0.000 0.544 300 V N -2.525 117.450 119.914 0.101 0.000 3.159 300 V HA 0.757 4.878 4.120 0.001 0.000 0.333 300 V C 0.866 176.948 176.094 -0.019 0.000 1.424 300 V CA -0.150 62.176 62.300 0.044 0.000 1.125 300 V CB -0.741 31.140 31.823 0.097 0.000 1.075 300 V HN 0.775 nan 8.190 nan 0.000 0.482 301 G N 0.756 109.535 108.800 -0.036 0.000 2.660 301 G HA2 -0.201 3.759 3.960 0.001 0.000 0.215 301 G HA3 -0.201 3.759 3.960 0.001 0.000 0.215 301 G C -0.582 173.964 174.900 -0.590 0.000 1.345 301 G CA -0.066 44.964 45.100 -0.116 0.000 0.877 301 G HN 0.649 nan 8.290 nan 0.000 0.549 302 D N 1.141 121.187 120.400 -0.589 0.000 2.502 302 D HA 0.215 4.855 4.640 0.001 0.000 0.249 302 D C -0.399 175.620 176.300 -0.469 0.000 1.188 302 D CA -0.817 52.752 54.000 -0.718 0.000 0.890 302 D CB 0.985 41.691 40.800 -0.156 0.000 1.140 302 D HN 0.038 nan 8.370 nan 0.000 0.505 303 P HA -0.175 nan 4.420 nan 0.000 0.217 303 P C 1.691 178.848 177.300 -0.238 0.000 1.148 303 P CA 0.627 63.348 63.100 -0.632 0.000 0.834 303 P CB 0.244 31.104 31.700 -1.400 0.000 0.783 304 I N -1.547 118.977 120.570 -0.076 0.000 2.264 304 I HA -0.183 3.987 4.170 0.001 0.000 0.248 304 I C 2.094 178.258 176.117 0.079 0.000 1.111 304 I CA 1.662 63.007 61.300 0.075 0.000 1.382 304 I CB -1.184 36.909 38.000 0.155 0.000 1.060 304 I HN 0.044 nan 8.210 nan 0.000 0.418 305 L N -0.410 120.853 121.223 0.066 0.000 2.529 305 L HA 0.067 4.407 4.340 0.001 0.000 0.223 305 L C 0.680 177.586 176.870 0.059 0.000 1.113 305 L CA 0.341 55.228 54.840 0.079 0.000 0.861 305 L CB -0.119 42.003 42.059 0.106 0.000 1.012 305 L HN 0.183 nan 8.230 nan 0.000 0.461 306 N N -0.966 117.757 118.700 0.038 0.000 2.672 306 N HA 0.113 4.854 4.740 0.001 0.000 0.295 306 N C 0.624 176.214 175.510 0.133 0.000 1.924 306 N CA 0.019 53.127 53.050 0.098 0.000 0.851 306 N CB 0.600 39.129 38.487 0.070 0.000 1.281 306 N HN -0.188 nan 8.380 nan 0.000 0.494 307 S N -1.305 114.475 115.700 0.133 0.000 2.399 307 S HA -0.145 4.325 4.470 0.001 0.000 0.231 307 S C 1.977 176.713 174.600 0.227 0.000 1.022 307 S CA 1.901 60.156 58.200 0.092 0.000 0.983 307 S CB -0.158 63.188 63.200 0.243 0.000 0.803 307 S HN 0.732 nan 8.310 nan 0.000 0.480 308 T N -0.864 113.825 114.554 0.225 0.000 2.867 308 T HA -0.057 4.293 4.350 0.001 0.000 0.268 308 T C 1.472 176.084 174.700 -0.146 0.000 1.057 308 T CA 0.923 63.028 62.100 0.009 0.000 1.136 308 T CB -0.560 68.129 68.868 -0.298 0.000 0.874 308 T HN 0.448 nan 8.240 nan 0.000 0.466 309 Y N -0.687 119.638 120.300 0.042 0.000 2.517 309 Y HA 0.335 4.885 4.550 0.001 0.000 0.281 309 Y C 0.922 176.863 175.900 0.068 0.000 1.125 309 Y CA -1.537 56.581 58.100 0.030 0.000 1.283 309 Y CB -0.125 38.349 38.460 0.023 0.000 1.042 309 Y HN 0.286 nan 8.280 nan 0.000 0.547 310 W N 2.296 123.594 121.300 -0.003 0.000 2.264 310 W HA 0.046 4.706 4.660 0.000 0.000 0.331 310 W C 1.822 178.282 176.519 -0.099 0.000 1.364 310 W CA 0.117 57.409 57.345 -0.088 0.000 1.253 310 W CB 0.901 30.232 29.460 -0.215 0.000 1.215 310 W HN 0.109 nan 8.180 nan 0.000 0.561 311 S N 3.644 119.047 115.700 -0.494 0.000 2.419 311 S HA -0.018 4.452 4.470 0.001 0.000 0.233 311 S C 1.694 175.727 174.600 -0.946 0.000 1.016 311 S CA 1.097 58.962 58.200 -0.558 0.000 0.974 311 S CB -0.650 62.358 63.200 -0.321 0.000 0.786 311 S HN 1.765 nan 8.310 nan 0.000 0.492 312 G N 0.302 107.843 108.800 -2.099 0.000 2.157 312 G HA2 -0.236 3.725 3.960 0.001 0.000 0.248 312 G HA3 -0.236 3.725 3.960 0.001 0.000 0.248 312 G C 0.090 174.375 174.900 -1.026 0.000 0.979 312 G CA 0.120 43.993 45.100 -2.045 0.000 0.650 312 G HN 0.695 nan 8.290 nan 0.000 0.529 313 S N 0.286 115.610 115.700 -0.627 0.000 2.549 313 S HA 0.620 5.090 4.470 0.001 0.000 0.283 313 S C 0.441 175.120 174.600 0.131 0.000 1.320 313 S CA 0.092 58.215 58.200 -0.130 0.000 1.058 313 S CB 1.040 64.224 63.200 -0.027 0.000 0.882 313 S HN 0.471 nan 8.310 nan 0.000 0.498 314 L N 3.536 124.809 121.223 0.083 0.000 2.354 314 L HA 0.700 5.040 4.340 0.001 0.000 0.264 314 L C -0.319 176.584 176.870 0.055 0.000 1.008 314 L CA -0.790 54.119 54.840 0.114 0.000 0.819 314 L CB 1.732 43.833 42.059 0.071 0.000 1.339 314 L HN 0.624 nan 8.230 nan 0.000 0.420 315 M N 1.566 121.190 119.600 0.040 0.000 2.518 315 M HA 0.747 5.227 4.480 0.001 0.000 0.300 315 M C -1.232 175.030 176.300 -0.064 0.000 1.175 315 M CA -0.719 54.581 55.300 0.000 0.000 0.890 315 M CB 2.698 35.326 32.600 0.046 0.000 1.710 315 M HN 0.498 nan 8.290 nan 0.000 0.453 316 M N 1.983 121.521 119.600 -0.103 0.000 2.259 316 M HA 0.559 5.039 4.480 0.001 0.000 0.304 316 M C -1.638 174.571 176.300 -0.151 0.000 1.019 316 M CA 0.218 55.433 55.300 -0.141 0.000 0.922 316 M CB 2.353 34.844 32.600 -0.182 0.000 1.600 316 M HN 0.838 nan 8.290 nan 0.000 0.433 317 T N 5.013 119.484 114.554 -0.138 0.000 2.779 317 T HA 0.544 4.894 4.350 0.001 0.000 0.280 317 T C -0.849 173.740 174.700 -0.185 0.000 0.987 317 T CA -0.646 61.306 62.100 -0.246 0.000 0.966 317 T CB 1.092 69.804 68.868 -0.260 0.000 0.933 317 T HN 0.645 nan 8.240 nan 0.000 0.442 318 R N 3.655 123.999 120.500 -0.260 0.000 2.387 318 R HA 0.645 4.985 4.340 0.001 0.000 0.314 318 R C -1.416 174.748 176.300 -0.227 0.000 0.958 318 R CA -0.655 55.234 56.100 -0.352 0.000 0.846 318 R CB 0.620 30.625 30.300 -0.492 0.000 1.147 318 R HN 0.565 nan 8.270 nan 0.000 0.447 319 L N 3.562 124.706 121.223 -0.131 0.000 2.381 319 L HA 0.514 4.854 4.340 0.001 0.000 0.274 319 L C -0.100 176.763 176.870 -0.012 0.000 0.988 319 L CA -1.027 53.784 54.840 -0.048 0.000 0.824 319 L CB 2.012 44.060 42.059 -0.019 0.000 1.263 319 L HN 0.739 nan 8.230 nan 0.000 0.410 320 A N 2.244 125.005 122.820 -0.098 0.000 2.488 320 A HA 0.288 4.608 4.320 0.001 0.000 0.249 320 A C 1.163 178.592 177.584 -0.258 0.000 1.083 320 A CA -0.102 51.699 52.037 -0.394 0.000 0.768 320 A CB 0.651 19.322 19.000 -0.549 0.000 1.017 320 A HN 0.760 nan 8.150 nan 0.000 0.496 321 V N 0.469 120.173 119.914 -0.350 0.000 2.809 321 V HA 0.073 4.193 4.120 0.001 0.000 0.256 321 V C 0.879 176.878 176.094 -0.159 0.000 1.080 321 V CA 1.996 64.130 62.300 -0.276 0.000 1.102 321 V CB -0.856 30.602 31.823 -0.608 0.000 0.705 321 V HN 0.747 nan 8.190 nan 0.000 0.475 322 K N 2.208 122.524 120.400 -0.139 0.000 2.687 322 K HA 0.453 4.773 4.320 0.001 0.000 0.197 322 K C -2.868 173.775 176.600 0.071 0.000 1.049 322 K CA -2.004 54.274 56.287 -0.014 0.000 1.030 322 K CB 1.486 33.987 32.500 0.001 0.000 1.261 322 K HN 0.273 nan 8.250 nan 0.000 0.565 323 P HA 0.076 nan 4.420 nan 0.000 0.272 323 P C -1.033 176.336 177.300 0.115 0.000 1.230 323 P CA -0.194 62.991 63.100 0.142 0.000 0.788 323 P CB 0.848 32.598 31.700 0.083 0.000 0.949 324 K N 0.347 120.823 120.400 0.127 0.000 2.123 324 K HA 0.344 4.665 4.320 0.001 0.000 0.259 324 K C 0.141 176.754 176.600 0.022 0.000 0.960 324 K CA -0.678 55.615 56.287 0.010 0.000 0.872 324 K CB 0.951 33.385 32.500 -0.111 0.000 1.079 324 K HN 0.422 nan 8.250 nan 0.000 0.440 325 S N 2.811 118.509 115.700 -0.002 0.000 2.546 325 S HA -0.010 4.460 4.470 0.001 0.000 0.290 325 S C 0.148 174.752 174.600 0.005 0.000 1.262 325 S CA -0.566 57.637 58.200 0.005 0.000 1.083 325 S CB -0.106 63.091 63.200 -0.004 0.000 0.859 325 S HN 0.748 nan 8.310 nan 0.000 0.495 326 N N 1.535 120.247 118.700 0.020 0.000 2.714 326 N HA -0.151 4.590 4.740 0.001 0.000 0.252 326 N C 0.680 176.207 175.510 0.029 0.000 1.014 326 N CA 0.911 53.976 53.050 0.024 0.000 0.735 326 N CB -1.461 37.033 38.487 0.013 0.000 0.924 326 N HN 0.970 nan 8.380 nan 0.000 0.540 327 G N -0.871 107.961 108.800 0.054 0.000 3.042 327 G HA2 0.349 4.309 3.960 0.001 0.000 0.212 327 G HA3 0.349 4.309 3.960 0.001 0.000 0.212 327 G C 1.343 176.319 174.900 0.126 0.000 1.166 327 G CA 0.968 46.120 45.100 0.087 0.000 0.767 327 G HN 0.756 nan 8.290 nan 0.000 0.546 328 G N 0.508 109.360 108.800 0.088 0.000 2.690 328 G HA2 -0.290 3.670 3.960 0.001 0.000 0.334 328 G HA3 -0.290 3.670 3.960 0.001 0.000 0.334 328 G C 1.584 176.531 174.900 0.078 0.000 1.250 328 G CA 0.808 45.952 45.100 0.073 0.000 0.994 328 G HN 1.132 nan 8.290 nan 0.000 0.549 329 G N -1.092 107.742 108.800 0.056 0.000 2.484 329 G HA2 0.094 4.055 3.960 0.001 0.000 0.218 329 G HA3 0.094 4.055 3.960 0.001 0.000 0.218 329 G C 1.496 176.399 174.900 0.006 0.000 1.130 329 G CA 1.583 46.688 45.100 0.008 0.000 0.784 329 G HN 0.794 nan 8.290 nan 0.000 0.543 330 Y N 1.976 122.269 120.300 -0.012 0.000 2.145 330 Y HA -0.140 4.410 4.550 0.001 0.000 0.286 330 Y C 2.547 178.528 175.900 0.135 0.000 1.145 330 Y CA 1.989 60.135 58.100 0.076 0.000 1.148 330 Y CB -0.047 38.458 38.460 0.074 0.000 0.981 330 Y HN 0.140 nan 8.280 nan 0.000 0.507 331 N N 0.007 118.808 118.700 0.168 0.000 2.135 331 N HA -0.075 4.666 4.740 0.001 0.000 0.186 331 N C -0.363 175.139 175.510 -0.014 0.000 1.027 331 N CA 1.317 54.411 53.050 0.074 0.000 0.849 331 N CB -0.062 38.497 38.487 0.121 0.000 1.002 331 N HN 0.491 nan 8.380 nan 0.000 0.425 332 Q N -0.686 119.104 119.800 -0.017 0.000 2.271 332 Q HA 0.323 4.664 4.340 0.001 0.000 0.268 332 Q C -1.642 174.309 176.000 -0.081 0.000 1.021 332 Q CA -0.484 55.259 55.803 -0.100 0.000 0.802 332 Q CB 2.540 31.207 28.738 -0.118 0.000 1.282 332 Q HN 0.216 nan 8.270 nan 0.000 0.431 333 H N 1.244 120.139 119.070 -0.293 0.000 2.947 333 H HA 0.293 4.850 4.556 0.000 0.000 0.354 333 H C -1.452 173.691 175.328 -0.307 0.000 1.085 333 H CA -0.290 55.603 56.048 -0.259 0.000 1.253 333 H CB 1.418 31.049 29.762 -0.218 0.000 1.757 333 H HN 0.357 nan 8.280 nan 0.000 0.523 334 Q N 3.559 122.939 119.800 -0.701 0.000 2.306 334 Q HA 0.473 4.813 4.340 0.001 0.000 0.265 334 Q C -1.109 174.563 176.000 -0.546 0.000 1.022 334 Q CA -1.009 54.451 55.803 -0.571 0.000 0.853 334 Q CB 2.858 31.338 28.738 -0.429 0.000 1.327 334 Q HN 0.518 nan 8.270 nan 0.000 0.449 335 L N 0.432 121.464 121.223 -0.318 0.000 2.409 335 L HA 0.674 5.014 4.340 0.001 0.000 0.262 335 L C -0.742 176.074 176.870 -0.091 0.000 0.992 335 L CA -0.611 54.123 54.840 -0.176 0.000 0.817 335 L CB 2.053 44.057 42.059 -0.091 0.000 1.350 335 L HN 0.685 nan 8.230 nan 0.000 0.411 336 A N 3.025 125.817 122.820 -0.047 0.000 2.301 336 A HA 0.734 5.055 4.320 0.001 0.000 0.312 336 A C -0.630 176.956 177.584 0.003 0.000 1.182 336 A CA -0.469 51.559 52.037 -0.014 0.000 0.826 336 A CB 0.228 19.225 19.000 -0.005 0.000 1.134 336 A HN 0.654 nan 8.150 nan 0.000 0.501 337 L N 3.918 125.148 121.223 0.013 0.000 2.283 337 L HA 0.268 4.609 4.340 0.001 0.000 0.287 337 L C 1.102 177.987 176.870 0.024 0.000 1.073 337 L CA -0.678 54.186 54.840 0.041 0.000 0.822 337 L CB 0.525 42.611 42.059 0.045 0.000 1.186 337 L HN 0.836 nan 8.230 nan 0.000 0.436 338 R N 1.007 121.522 120.500 0.026 0.000 2.090 338 R HA 0.093 4.434 4.340 0.001 0.000 0.219 338 R C 0.351 176.658 176.300 0.010 0.000 1.100 338 R CA 0.412 56.517 56.100 0.008 0.000 0.991 338 R CB -0.027 30.277 30.300 0.007 0.000 0.893 338 R HN 0.444 nan 8.270 nan 0.000 0.443 339 S N 1.669 117.385 115.700 0.026 0.000 2.410 339 S HA 0.474 4.944 4.470 0.001 0.000 0.304 339 S C -0.001 174.627 174.600 0.046 0.000 1.095 339 S CA -0.427 57.789 58.200 0.027 0.000 1.089 339 S CB 0.797 64.010 63.200 0.021 0.000 0.968 339 S HN 0.083 nan 8.310 nan 0.000 0.480 340 I N 2.923 123.517 120.570 0.040 0.000 2.439 340 I HA 0.309 4.479 4.170 0.001 0.000 0.285 340 I C -0.161 175.997 176.117 0.068 0.000 1.021 340 I CA -0.402 60.933 61.300 0.058 0.000 1.091 340 I CB 1.802 39.821 38.000 0.031 0.000 1.242 340 I HN 0.450 nan 8.210 nan 0.000 0.439 341 E N 6.617 126.877 120.200 0.099 0.000 2.109 341 E HA 0.260 4.611 4.350 0.001 0.000 0.278 341 E C -0.034 176.671 176.600 0.175 0.000 0.954 341 E CA -0.393 56.076 56.400 0.115 0.000 0.779 341 E CB 1.309 31.071 29.700 0.103 0.000 1.093 341 E HN 0.579 nan 8.360 nan 0.000 0.401 342 K N 2.203 122.713 120.400 0.183 0.000 2.520 342 K HA 0.269 4.589 4.320 0.001 0.000 0.206 342 K C 0.990 177.798 176.600 0.346 0.000 1.122 342 K CA 0.004 56.447 56.287 0.261 0.000 1.045 342 K CB 0.823 33.415 32.500 0.154 0.000 0.932 342 K HN 0.599 nan 8.250 nan 0.000 0.571 343 G N 3.084 112.031 108.800 0.246 0.000 2.660 343 G HA2 -0.434 3.526 3.960 0.001 0.000 0.321 343 G HA3 -0.434 3.526 3.960 0.001 0.000 0.321 343 G C 0.722 175.714 174.900 0.155 0.000 1.246 343 G CA 0.823 46.047 45.100 0.208 0.000 1.000 343 G HN 0.376 nan 8.290 nan 0.000 0.550 344 R N -0.416 120.143 120.500 0.097 0.000 2.235 344 R HA 0.138 4.478 4.340 0.001 0.000 0.213 344 R C 0.538 176.766 176.300 -0.119 0.000 1.059 344 R CA 0.494 56.558 56.100 -0.059 0.000 0.997 344 R CB -0.111 30.082 30.300 -0.178 0.000 0.884 344 R HN 0.456 nan 8.270 nan 0.000 0.462 345 Y N 0.364 120.723 120.300 0.098 0.000 2.359 345 Y HA -0.062 4.488 4.550 0.000 0.000 0.330 345 Y C 1.354 177.270 175.900 0.027 0.000 1.143 345 Y CA -0.329 57.800 58.100 0.049 0.000 1.318 345 Y CB 0.665 39.102 38.460 -0.039 0.000 1.234 345 Y HN -0.122 nan 8.280 nan 0.000 0.522 346 D N 1.355 121.850 120.400 0.159 0.000 2.144 346 D HA -0.090 4.550 4.640 0.001 0.000 0.200 346 D C -0.097 176.201 176.300 -0.004 0.000 0.978 346 D CA 1.354 55.414 54.000 0.100 0.000 0.833 346 D CB 0.310 41.240 40.800 0.217 0.000 0.961 346 D HN 0.656 nan 8.370 nan 0.000 0.470 347 K N -1.431 118.952 120.400 -0.028 0.000 2.575 347 K HA 0.516 4.836 4.320 0.001 0.000 0.279 347 K C -1.214 175.429 176.600 0.072 0.000 0.969 347 K CA -1.010 55.227 56.287 -0.084 0.000 0.868 347 K CB 2.239 34.555 32.500 -0.305 0.000 1.457 347 K HN -0.124 nan 8.250 nan 0.000 0.426 348 V N -2.059 117.889 119.914 0.056 0.000 3.007 348 V HA 0.812 4.932 4.120 0.001 0.000 0.311 348 V C -0.900 175.325 176.094 0.217 0.000 1.120 348 V CA -0.900 61.379 62.300 -0.035 0.000 0.980 348 V CB 1.983 33.615 31.823 -0.317 0.000 1.033 348 V HN 1.024 nan 8.190 nan 0.000 0.429 349 M N 3.492 123.179 119.600 0.146 0.000 2.465 349 M HA 0.595 5.076 4.480 0.001 0.000 0.284 349 M C -3.101 173.274 176.300 0.126 0.000 1.212 349 M CA -1.623 53.796 55.300 0.198 0.000 0.910 349 M CB 3.119 35.792 32.600 0.122 0.000 1.725 349 M HN 0.642 nan 8.290 nan 0.000 0.477 350 P HA 0.030 nan 4.420 nan 0.000 0.268 350 P C -1.727 175.731 177.300 0.263 0.000 1.205 350 P CA 0.495 63.709 63.100 0.190 0.000 0.771 350 P CB 0.115 31.884 31.700 0.114 0.000 0.858 351 Y N 1.610 121.976 120.300 0.110 0.000 2.532 351 Y HA 0.449 4.999 4.550 0.001 0.000 0.318 351 Y C -0.154 175.810 175.900 0.107 0.000 1.138 351 Y CA -0.293 57.834 58.100 0.045 0.000 1.306 351 Y CB 0.620 39.057 38.460 -0.038 0.000 1.106 351 Y HN 0.823 nan 8.280 nan 0.000 0.588 352 G N 2.977 111.859 108.800 0.137 0.000 2.345 352 G HA2 0.030 3.991 3.960 0.001 0.000 0.310 352 G HA3 0.030 3.991 3.960 0.001 0.000 0.310 352 G C -2.968 171.988 174.900 0.094 0.000 1.476 352 G CA -0.829 44.297 45.100 0.043 0.000 0.978 352 G HN 0.040 nan 8.290 nan 0.000 0.656 353 P HA 0.071 nan 4.420 nan 0.000 0.219 353 P C 0.767 178.170 177.300 0.171 0.000 1.150 353 P CA 1.696 64.830 63.100 0.058 0.000 0.814 353 P CB 0.188 31.883 31.700 -0.009 0.000 0.787 354 S N -2.659 113.173 115.700 0.221 0.000 2.547 354 S HA 0.713 5.183 4.470 0.001 0.000 0.270 354 S C -0.367 174.388 174.600 0.258 0.000 1.150 354 S CA -0.377 57.982 58.200 0.265 0.000 0.850 354 S CB 1.774 65.136 63.200 0.269 0.000 1.118 354 S HN 0.263 nan 8.310 nan 0.000 0.461 355 G N 0.360 109.288 108.800 0.214 0.000 3.222 355 G HA2 0.824 4.784 3.960 0.001 0.000 0.263 355 G HA3 0.824 4.784 3.960 0.001 0.000 0.263 355 G C -0.845 174.142 174.900 0.145 0.000 1.312 355 G CA -0.674 44.520 45.100 0.156 0.000 0.934 355 G HN 1.452 nan 8.290 nan 0.000 0.577 356 I N -2.272 118.369 120.570 0.120 0.000 3.002 356 I HA 0.764 4.934 4.170 0.001 0.000 0.310 356 I C -0.803 175.385 176.117 0.119 0.000 1.087 356 I CA -1.278 60.109 61.300 0.144 0.000 1.017 356 I CB 2.623 40.713 38.000 0.150 0.000 1.226 356 I HN 0.427 nan 8.210 nan 0.000 0.443 357 K N 3.102 123.573 120.400 0.118 0.000 2.164 357 K HA 0.501 4.821 4.320 0.001 0.000 0.258 357 K C -1.343 175.343 176.600 0.143 0.000 0.951 357 K CA -0.437 55.909 56.287 0.098 0.000 0.844 357 K CB 1.921 34.436 32.500 0.026 0.000 1.099 357 K HN 0.860 nan 8.250 nan 0.000 0.435 358 Q N 1.810 121.715 119.800 0.174 0.000 2.363 358 Q HA 0.359 4.700 4.340 0.001 0.000 0.265 358 Q C 0.256 176.311 176.000 0.092 0.000 1.032 358 Q CA -0.336 55.554 55.803 0.145 0.000 0.746 358 Q CB 1.563 30.419 28.738 0.196 0.000 1.237 358 Q HN 1.033 nan 8.270 nan 0.000 0.475 359 G N 4.062 112.899 108.800 0.060 0.000 2.602 359 G HA2 -0.425 3.535 3.960 0.001 0.000 0.310 359 G HA3 -0.425 3.535 3.960 0.001 0.000 0.310 359 G C 0.424 175.327 174.900 0.005 0.000 1.183 359 G CA 0.815 45.934 45.100 0.033 0.000 0.979 359 G HN 0.791 nan 8.290 nan 0.000 0.545 360 D N 0.288 120.678 120.400 -0.017 0.000 2.339 360 D HA 0.258 4.898 4.640 0.001 0.000 0.217 360 D C 1.000 177.236 176.300 -0.107 0.000 1.050 360 D CA 1.229 55.194 54.000 -0.060 0.000 0.856 360 D CB -0.110 40.655 40.800 -0.059 0.000 0.922 360 D HN 0.484 nan 8.370 nan 0.000 0.518 361 T N 1.258 115.758 114.554 -0.089 0.000 2.779 361 T HA 0.476 4.827 4.350 0.001 0.000 0.280 361 T C 0.099 174.654 174.700 -0.241 0.000 0.987 361 T CA -0.706 61.283 62.100 -0.186 0.000 0.966 361 T CB 1.459 70.219 68.868 -0.179 0.000 0.933 361 T HN 0.017 nan 8.240 nan 0.000 0.442 362 L N 3.360 124.403 121.223 -0.299 0.000 2.334 362 L HA 0.561 4.901 4.340 0.001 0.000 0.277 362 L C -1.000 175.589 176.870 -0.468 0.000 1.075 362 L CA -0.962 53.693 54.840 -0.309 0.000 0.804 362 L CB 0.616 42.504 42.059 -0.286 0.000 1.174 362 L HN 0.644 nan 8.230 nan 0.000 0.438 363 Y N 1.679 121.893 120.300 -0.143 0.000 2.327 363 Y HA 0.443 4.993 4.550 0.001 0.000 0.325 363 Y C -0.555 175.309 175.900 -0.059 0.000 0.999 363 Y CA -0.460 57.644 58.100 0.007 0.000 1.195 363 Y CB 1.341 39.831 38.460 0.049 0.000 1.132 363 Y HN 0.275 nan 8.280 nan 0.000 0.455 364 F N 5.126 125.239 119.950 0.272 0.000 2.404 364 F HA 0.508 5.036 4.527 0.001 0.000 0.339 364 F C -2.034 173.933 175.800 0.279 0.000 1.105 364 F CA -2.684 55.463 58.000 0.245 0.000 1.087 364 F CB 1.122 40.235 39.000 0.188 0.000 1.143 364 F HN 0.249 nan 8.300 nan 0.000 0.491 365 P HA 0.270 nan 4.420 nan 0.000 0.268 365 P C -1.014 176.530 177.300 0.407 0.000 1.205 365 P CA 0.126 63.459 63.100 0.388 0.000 0.771 365 P CB 1.219 33.071 31.700 0.253 0.000 0.858 366 A N 2.493 125.571 122.820 0.429 0.000 2.588 366 A HA 0.723 5.043 4.320 0.001 0.000 0.290 366 A C -1.521 176.309 177.584 0.410 0.000 1.136 366 A CA -0.654 51.632 52.037 0.416 0.000 0.681 366 A CB 1.744 21.030 19.000 0.478 0.000 1.282 366 A HN 0.415 nan 8.150 nan 0.000 0.421 367 V N -0.503 119.513 119.914 0.170 0.000 2.841 367 V HA 0.792 4.912 4.120 0.001 0.000 0.310 367 V C 0.081 175.815 176.094 -0.601 0.000 1.090 367 V CA 0.371 62.604 62.300 -0.112 0.000 0.930 367 V CB 2.120 33.750 31.823 -0.321 0.000 1.014 367 V HN 1.751 nan 8.190 nan 0.000 0.425 368 G N 4.101 112.405 108.800 -0.828 0.000 2.415 368 G HA2 0.647 4.607 3.960 0.001 0.000 0.327 368 G HA3 0.647 4.607 3.960 0.001 0.000 0.327 368 G C -1.284 173.348 174.900 -0.447 0.000 1.182 368 G CA -0.463 44.014 45.100 -1.039 0.000 0.924 368 G HN 0.526 nan 8.290 nan 0.000 0.470 369 F N 1.707 121.516 119.950 -0.235 0.000 2.371 369 F HA 0.396 4.924 4.527 0.001 0.000 0.363 369 F C 0.116 175.892 175.800 -0.040 0.000 1.122 369 F CA -0.765 57.058 58.000 -0.295 0.000 1.129 369 F CB 1.823 40.345 39.000 -0.798 0.000 1.173 369 F HN 0.225 nan 8.300 nan 0.000 0.489 370 L N 4.834 126.219 121.223 0.270 0.000 2.313 370 L HA 0.568 4.908 4.340 0.001 0.000 0.283 370 L C -0.495 176.549 176.870 0.290 0.000 1.013 370 L CA -0.677 54.290 54.840 0.212 0.000 0.816 370 L CB 1.415 43.508 42.059 0.058 0.000 1.236 370 L HN 0.307 nan 8.230 nan 0.000 0.419 371 V N 6.242 126.299 119.914 0.238 0.000 2.584 371 V HA -0.061 4.059 4.120 0.001 0.000 0.303 371 V C 1.820 177.877 176.094 -0.061 0.000 1.035 371 V CA 0.559 62.826 62.300 -0.055 0.000 1.172 371 V CB 0.058 31.794 31.823 -0.144 0.000 0.896 371 V HN 0.927 nan 8.190 nan 0.000 0.486 372 R N 3.445 123.856 120.500 -0.148 0.000 2.105 372 R HA -0.157 4.183 4.340 0.001 0.000 0.239 372 R C 2.102 178.427 176.300 0.041 0.000 1.135 372 R CA 1.995 58.077 56.100 -0.030 0.000 0.967 372 R CB -0.272 29.988 30.300 -0.067 0.000 0.861 372 R HN 0.957 nan 8.270 nan 0.000 0.442 373 T N -1.584 112.952 114.554 -0.030 0.000 3.051 373 T HA 0.002 4.352 4.350 0.001 0.000 0.269 373 T C 1.220 175.940 174.700 0.033 0.000 1.127 373 T CA 0.729 62.832 62.100 0.005 0.000 1.107 373 T CB 0.054 68.907 68.868 -0.024 0.000 0.898 373 T HN 0.213 nan 8.240 nan 0.000 0.517 374 E N 0.204 120.430 120.200 0.043 0.000 2.474 374 E HA 0.240 4.590 4.350 0.001 0.000 0.194 374 E C 0.027 176.700 176.600 0.121 0.000 1.041 374 E CA -0.354 56.078 56.400 0.053 0.000 0.874 374 E CB -0.111 29.602 29.700 0.020 0.000 0.914 374 E HN 0.554 nan 8.360 nan 0.000 0.498 375 F N 3.058 123.008 119.950 -0.000 0.000 2.543 375 F HA 0.052 4.580 4.527 0.000 0.000 0.375 375 F C 0.294 176.135 175.800 0.068 0.000 1.075 375 F CA -0.507 57.516 58.000 0.038 0.000 1.225 375 F CB 0.468 39.501 39.000 0.054 0.000 1.099 375 F HN -0.398 nan 8.300 nan 0.000 0.561 376 K N 7.780 127.949 120.400 -0.386 0.000 2.281 376 K HA 0.250 4.570 4.320 0.001 0.000 0.272 376 K C -1.651 174.566 176.600 -0.638 0.000 1.048 376 K CA -0.395 55.668 56.287 -0.374 0.000 0.898 376 K CB 1.193 33.584 32.500 -0.181 0.000 1.128 376 K HN 0.756 nan 8.250 nan 0.000 0.460 377 Y N 1.789 121.733 120.300 -0.593 0.000 2.401 377 Y HA 0.194 4.744 4.550 0.001 0.000 0.330 377 Y C -0.785 174.999 175.900 -0.193 0.000 1.071 377 Y CA -0.944 56.886 58.100 -0.450 0.000 1.049 377 Y CB 1.639 39.787 38.460 -0.520 0.000 1.239 377 Y HN 0.512 nan 8.280 nan 0.000 0.437 378 N N 4.561 122.936 118.700 -0.541 0.000 2.415 378 N HA 0.080 4.821 4.740 0.001 0.000 0.246 378 N C 0.167 175.551 175.510 -0.211 0.000 1.078 378 N CA 0.178 53.049 53.050 -0.298 0.000 0.942 378 N CB 0.811 39.125 38.487 -0.287 0.000 1.140 378 N HN 0.777 nan 8.380 nan 0.000 0.501 379 D N 1.516 121.964 120.400 0.080 0.000 2.265 379 D HA -0.111 4.529 4.640 0.001 0.000 0.208 379 D C 1.150 177.506 176.300 0.093 0.000 0.977 379 D CA 1.036 55.157 54.000 0.202 0.000 0.871 379 D CB 0.184 41.066 40.800 0.136 0.000 0.925 379 D HN 0.492 nan 8.370 nan 0.000 0.485 380 S N 0.677 116.380 115.700 0.005 0.000 2.442 380 S HA -0.097 4.373 4.470 0.001 0.000 0.236 380 S C 1.495 176.084 174.600 -0.018 0.000 1.007 380 S CA 0.517 58.709 58.200 -0.012 0.000 0.965 380 S CB -0.083 63.097 63.200 -0.033 0.000 0.773 380 S HN 0.304 nan 8.310 nan 0.000 0.504 381 N N 0.733 119.398 118.700 -0.058 0.000 2.515 381 N HA 0.031 4.772 4.740 0.001 0.000 0.185 381 N C 0.368 175.931 175.510 0.089 0.000 1.109 381 N CA 0.139 53.162 53.050 -0.045 0.000 0.903 381 N CB -0.445 37.923 38.487 -0.198 0.000 0.969 381 N HN 0.327 nan 8.380 nan 0.000 0.450 382 c N 4.487 123.184 118.600 0.162 0.000 2.657 382 c HA 0.155 4.726 4.570 0.001 0.000 0.404 382 c C -1.911 172.190 174.090 0.018 0.000 1.369 382 c CA -1.456 54.959 56.329 0.145 0.000 1.665 382 c CB -0.263 42.309 42.510 0.103 0.000 2.453 382 c HN 0.232 nan 8.230 nan 0.000 0.599 383 P HA 0.138 nan 4.420 nan 0.000 0.260 383 P C 0.256 177.511 177.300 -0.074 0.000 1.651 383 P CA 0.459 63.557 63.100 -0.005 0.000 1.139 383 P CB -0.323 31.420 31.700 0.072 0.000 1.756 384 I N 0.305 120.836 120.570 -0.065 0.000 4.009 384 I HA 0.117 4.287 4.170 0.001 0.000 0.331 384 I C 1.213 177.303 176.117 -0.045 0.000 1.462 384 I CA -0.261 60.992 61.300 -0.077 0.000 1.117 384 I CB -0.213 37.734 38.000 -0.089 0.000 1.091 384 I HN -0.030 nan 8.210 nan 0.000 0.410 385 T N -1.283 113.254 114.554 -0.027 0.000 2.962 385 T HA 0.003 4.353 4.350 0.001 0.000 0.270 385 T C 1.399 176.086 174.700 -0.023 0.000 1.088 385 T CA 0.983 63.070 62.100 -0.022 0.000 1.127 385 T CB -0.339 68.521 68.868 -0.013 0.000 0.883 385 T HN 0.471 nan 8.240 nan 0.000 0.493 386 K N 0.003 120.393 120.400 -0.017 0.000 2.397 386 K HA 0.309 4.629 4.320 0.001 0.000 0.202 386 K C -0.543 176.048 176.600 -0.015 0.000 1.022 386 K CA -0.342 55.938 56.287 -0.012 0.000 1.141 386 K CB 0.374 32.877 32.500 0.004 0.000 0.857 386 K HN 0.304 nan 8.250 nan 0.000 0.514 387 c N 2.362 120.945 118.600 -0.029 0.000 2.647 387 c HA 0.121 4.692 4.570 0.001 0.000 0.273 387 c C 1.543 175.603 174.090 -0.051 0.000 1.088 387 c CA -0.973 55.342 56.329 -0.023 0.000 1.529 387 c CB 0.223 42.715 42.510 -0.030 0.000 1.810 387 c HN 0.576 nan 8.230 nan 0.000 0.422 388 Q N 0.549 120.288 119.800 -0.102 0.000 2.234 388 Q HA -0.200 4.141 4.340 0.001 0.000 0.206 388 Q C 0.589 176.411 176.000 -0.296 0.000 0.980 388 Q CA 2.012 57.677 55.803 -0.231 0.000 0.869 388 Q CB -0.190 28.337 28.738 -0.353 0.000 0.912 388 Q HN 0.785 nan 8.270 nan 0.000 0.436 389 Y N 1.010 121.297 120.300 -0.021 0.000 2.500 389 Y HA 0.292 4.843 4.550 0.001 0.000 0.270 389 Y C 0.760 176.639 175.900 -0.036 0.000 1.134 389 Y CA -0.266 57.821 58.100 -0.022 0.000 1.293 389 Y CB 0.674 39.126 38.460 -0.014 0.000 1.063 389 Y HN -0.027 nan 8.280 nan 0.000 0.534 390 S N 1.203 116.942 115.700 0.065 0.000 2.576 390 S HA 0.207 4.678 4.470 0.001 0.000 0.276 390 S C 0.040 174.625 174.600 -0.025 0.000 1.339 390 S CA -0.493 57.700 58.200 -0.011 0.000 1.039 390 S CB 0.635 63.785 63.200 -0.084 0.000 0.902 390 S HN 0.149 nan 8.310 nan 0.000 0.516 391 K N 2.229 122.607 120.400 -0.036 0.000 2.203 391 K HA 0.328 4.649 4.320 0.001 0.000 0.251 391 K C -2.018 174.558 176.600 -0.041 0.000 0.944 391 K CA -2.289 53.982 56.287 -0.026 0.000 0.829 391 K CB 1.038 33.533 32.500 -0.008 0.000 1.125 391 K HN 0.172 nan 8.250 nan 0.000 0.430 392 P HA -0.268 nan 4.420 nan 0.000 0.217 392 P C 0.707 178.016 177.300 0.015 0.000 1.148 392 P CA 1.359 64.458 63.100 -0.001 0.000 0.828 392 P CB 0.138 31.848 31.700 0.016 0.000 0.783 393 E N -1.084 119.121 120.200 0.008 0.000 2.409 393 E HA -0.162 4.189 4.350 0.001 0.000 0.198 393 E C 1.343 177.927 176.600 -0.026 0.000 1.024 393 E CA 0.613 57.020 56.400 0.012 0.000 0.861 393 E CB -0.803 28.906 29.700 0.015 0.000 0.788 393 E HN 0.167 nan 8.360 nan 0.000 0.521 394 N N 1.088 119.747 118.700 -0.069 0.000 2.120 394 N HA -0.118 4.623 4.740 0.001 0.000 0.188 394 N C 1.653 177.091 175.510 -0.120 0.000 1.024 394 N CA 1.429 54.414 53.050 -0.109 0.000 0.852 394 N CB -0.708 37.665 38.487 -0.189 0.000 1.003 394 N HN 0.300 nan 8.380 nan 0.000 0.424 395 c N 0.562 119.066 118.600 -0.160 0.000 2.432 395 c HA -0.045 4.525 4.570 0.001 0.000 0.277 395 c C 2.737 176.735 174.090 -0.153 0.000 1.249 395 c CA 0.404 56.681 56.329 -0.087 0.000 1.725 395 c CB -0.915 41.559 42.510 -0.060 0.000 2.028 395 c HN 0.498 nan 8.230 nan 0.000 0.477 396 R N 0.714 121.036 120.500 -0.296 0.000 2.073 396 R HA -0.088 4.253 4.340 0.001 0.000 0.234 396 R C 2.080 178.372 176.300 -0.013 0.000 1.134 396 R CA 1.491 57.492 56.100 -0.164 0.000 0.952 396 R CB -0.373 29.893 30.300 -0.056 0.000 0.850 396 R HN 0.498 nan 8.270 nan 0.000 0.433 397 L N -0.009 121.211 121.223 -0.005 0.000 2.131 397 L HA -0.090 4.250 4.340 0.001 0.000 0.210 397 L C 2.240 179.123 176.870 0.022 0.000 1.092 397 L CA 1.020 55.868 54.840 0.014 0.000 0.759 397 L CB -0.236 41.833 42.059 0.018 0.000 0.903 397 L HN 0.209 nan 8.230 nan 0.000 0.435 398 S N -0.893 114.840 115.700 0.056 0.000 2.631 398 S HA 0.093 4.563 4.470 0.001 0.000 0.217 398 S C 1.655 176.302 174.600 0.078 0.000 0.958 398 S CA 0.134 58.409 58.200 0.125 0.000 0.920 398 S CB 0.050 63.421 63.200 0.285 0.000 0.776 398 S HN 0.223 nan 8.310 nan 0.000 0.517 399 M N 1.060 120.645 119.600 -0.025 0.000 2.561 399 M HA 0.236 4.716 4.480 0.001 0.000 0.238 399 M C 1.003 177.194 176.300 -0.181 0.000 1.131 399 M CA 0.144 55.367 55.300 -0.129 0.000 1.046 399 M CB -0.586 31.821 32.600 -0.322 0.000 1.532 399 M HN 0.264 nan 8.290 nan 0.000 0.497 400 G N -0.087 108.627 108.800 -0.143 0.000 2.630 400 G HA2 0.535 4.496 3.960 0.001 0.000 0.296 400 G HA3 0.535 4.496 3.960 0.001 0.000 0.296 400 G C 0.672 175.420 174.900 -0.254 0.000 1.285 400 G CA -0.707 44.281 45.100 -0.187 0.000 0.958 400 G HN 0.329 nan 8.290 nan 0.000 0.479 401 I N -2.514 117.793 120.570 -0.439 0.000 2.756 401 I HA 0.261 4.431 4.170 0.001 0.000 0.262 401 I C 0.751 176.748 176.117 -0.201 0.000 1.225 401 I CA 0.550 61.420 61.300 -0.718 0.000 1.472 401 I CB -0.092 37.164 38.000 -1.239 0.000 1.094 401 I HN 0.113 nan 8.210 nan 0.000 0.454 402 R N 0.494 120.931 120.500 -0.105 0.000 2.808 402 R HA 0.372 4.712 4.340 0.001 0.000 0.272 402 R C -1.951 174.346 176.300 -0.005 0.000 0.995 402 R CA -1.683 54.414 56.100 -0.005 0.000 0.917 402 R CB 1.475 31.781 30.300 0.011 0.000 1.217 402 R HN -0.215 nan 8.270 nan 0.000 0.471 403 P HA -0.164 nan 4.420 nan 0.000 0.219 403 P C 0.129 177.434 177.300 0.009 0.000 1.146 403 P CA 1.466 64.576 63.100 0.017 0.000 0.808 403 P CB 0.156 31.872 31.700 0.027 0.000 0.779 404 N N -0.570 118.136 118.700 0.010 0.000 2.273 404 N HA 0.003 4.743 4.740 0.001 0.000 0.231 404 N C -0.117 175.397 175.510 0.006 0.000 1.134 404 N CA -0.208 52.848 53.050 0.009 0.000 0.856 404 N CB -0.507 37.990 38.487 0.016 0.000 1.068 404 N HN 0.003 nan 8.380 nan 0.000 0.510 405 S N -0.356 115.341 115.700 -0.005 0.000 2.568 405 S HA -0.056 4.415 4.470 0.001 0.000 0.282 405 S C 1.139 175.738 174.600 -0.002 0.000 1.338 405 S CA -0.174 58.027 58.200 0.002 0.000 1.045 405 S CB 0.901 64.088 63.200 -0.021 0.000 0.873 405 S HN 0.452 nan 8.310 nan 0.000 0.516 406 H N 2.170 121.172 119.070 -0.113 0.000 2.353 406 H HA 0.051 4.608 4.556 0.001 0.000 0.300 406 H C -0.431 174.735 175.328 -0.270 0.000 1.090 406 H CA 1.740 57.640 56.048 -0.245 0.000 1.327 406 H CB -0.059 29.450 29.762 -0.420 0.000 1.383 406 H HN 0.702 nan 8.280 nan 0.000 0.508 407 Y N -0.533 119.774 120.300 0.012 0.000 2.487 407 Y HA 0.309 4.859 4.550 0.000 0.000 0.337 407 Y C 0.055 175.902 175.900 -0.089 0.000 1.076 407 Y CA -1.518 56.568 58.100 -0.023 0.000 1.115 407 Y CB 1.045 39.607 38.460 0.169 0.000 1.235 407 Y HN 0.074 nan 8.280 nan 0.000 0.468 408 I N 0.115 120.706 120.570 0.035 0.000 2.676 408 I HA 0.643 4.814 4.170 0.001 0.000 0.309 408 I C -1.287 174.738 176.117 -0.153 0.000 0.990 408 I CA -0.945 60.254 61.300 -0.168 0.000 1.168 408 I CB 1.093 38.795 38.000 -0.496 0.000 1.343 408 I HN 0.373 nan 8.210 nan 0.000 0.482 409 L N 3.564 124.648 121.223 -0.230 0.000 2.322 409 L HA 0.686 5.026 4.340 0.001 0.000 0.281 409 L C -0.377 176.412 176.870 -0.134 0.000 1.014 409 L CA -0.723 53.949 54.840 -0.280 0.000 0.815 409 L CB 1.569 43.440 42.059 -0.314 0.000 1.247 409 L HN 0.643 nan 8.230 nan 0.000 0.421 410 R N 1.865 122.326 120.500 -0.066 0.000 2.451 410 R HA 0.428 4.769 4.340 0.001 0.000 0.307 410 R C -0.679 175.718 176.300 0.160 0.000 0.965 410 R CA -0.181 55.982 56.100 0.105 0.000 0.865 410 R CB 1.641 32.112 30.300 0.284 0.000 1.174 410 R HN 0.625 nan 8.270 nan 0.000 0.455 411 S N 1.439 117.256 115.700 0.195 0.000 2.596 411 S HA 0.734 5.205 4.470 0.001 0.000 0.260 411 S C 0.233 174.992 174.600 0.265 0.000 1.336 411 S CA 0.702 59.071 58.200 0.281 0.000 0.993 411 S CB 1.079 64.466 63.200 0.312 0.000 0.923 411 S HN 0.863 nan 8.310 nan 0.000 0.567 412 G N -0.265 108.704 108.800 0.282 0.000 2.399 412 G HA2 0.389 4.350 3.960 0.001 0.000 0.256 412 G HA3 0.389 4.350 3.960 0.001 0.000 0.256 412 G C -2.191 172.815 174.900 0.177 0.000 1.236 412 G CA -0.858 44.245 45.100 0.005 0.000 0.914 412 G HN 0.617 nan 8.290 nan 0.000 0.482 413 L N -0.123 121.099 121.223 -0.001 0.000 2.371 413 L HA 0.683 5.023 4.340 0.001 0.000 0.262 413 L C -0.784 176.254 176.870 0.280 0.000 1.006 413 L CA -0.827 54.154 54.840 0.236 0.000 0.818 413 L CB 2.420 44.627 42.059 0.246 0.000 1.354 413 L HN 0.386 nan 8.230 nan 0.000 0.415 414 L N 2.693 124.164 121.223 0.414 0.000 2.280 414 L HA 0.455 4.796 4.340 0.001 0.000 0.287 414 L C -0.202 176.890 176.870 0.370 0.000 1.023 414 L CA -0.323 54.751 54.840 0.390 0.000 0.819 414 L CB 1.546 43.811 42.059 0.344 0.000 1.212 414 L HN 0.482 nan 8.230 nan 0.000 0.420 415 K N 3.357 123.897 120.400 0.233 0.000 2.183 415 K HA 0.311 4.631 4.320 0.001 0.000 0.274 415 K C -1.730 174.936 176.600 0.111 0.000 1.009 415 K CA -0.440 55.849 56.287 0.003 0.000 0.888 415 K CB 1.087 33.575 32.500 -0.020 0.000 1.078 415 K HN 0.464 nan 8.250 nan 0.000 0.459 416 Y N 4.119 124.330 120.300 -0.148 0.000 2.344 416 Y HA 0.226 4.777 4.550 0.000 0.000 0.328 416 Y C -1.219 174.577 175.900 -0.173 0.000 1.067 416 Y CA -1.032 57.025 58.100 -0.073 0.000 1.247 416 Y CB 0.991 39.497 38.460 0.077 0.000 1.113 416 Y HN 0.633 nan 8.280 nan 0.000 0.465 417 N N 6.334 124.865 118.700 -0.281 0.000 2.437 417 N HA 0.182 4.922 4.740 0.001 0.000 0.243 417 N C 0.504 175.814 175.510 -0.334 0.000 1.041 417 N CA 0.107 53.002 53.050 -0.259 0.000 0.940 417 N CB 0.854 39.234 38.487 -0.178 0.000 1.133 417 N HN 0.956 nan 8.380 nan 0.000 0.506 418 L N 1.727 122.780 121.223 -0.283 0.000 2.275 418 L HA -0.082 4.258 4.340 0.001 0.000 0.215 418 L C 1.878 178.642 176.870 -0.177 0.000 1.119 418 L CA 0.602 55.283 54.840 -0.265 0.000 0.790 418 L CB -0.156 41.774 42.059 -0.216 0.000 0.919 418 L HN 0.442 nan 8.230 nan 0.000 0.443 419 S N -0.347 115.269 115.700 -0.139 0.000 2.469 419 S HA -0.159 4.311 4.470 0.001 0.000 0.238 419 S C 1.320 175.861 174.600 -0.100 0.000 0.998 419 S CA 0.935 59.078 58.200 -0.095 0.000 0.957 419 S CB -0.280 62.878 63.200 -0.070 0.000 0.764 419 S HN 0.436 nan 8.310 nan 0.000 0.514 420 D N 0.942 121.259 120.400 -0.138 0.000 2.221 420 D HA 0.153 4.793 4.640 0.001 0.000 0.204 420 D C 1.346 177.581 176.300 -0.107 0.000 0.982 420 D CA 1.278 55.202 54.000 -0.127 0.000 0.857 420 D CB -0.238 40.459 40.800 -0.173 0.000 0.934 420 D HN 0.509 nan 8.370 nan 0.000 0.475 421 G N -0.408 108.323 108.800 -0.114 0.000 2.306 421 G HA2 -0.167 3.793 3.960 0.001 0.000 0.262 421 G HA3 -0.167 3.793 3.960 0.001 0.000 0.262 421 G C 0.122 174.974 174.900 -0.080 0.000 1.263 421 G CA -0.253 44.799 45.100 -0.080 0.000 1.088 421 G HN -0.058 nan 8.290 nan 0.000 0.489 422 E N 0.689 120.864 120.200 -0.041 0.000 2.358 422 E HA 0.029 4.379 4.350 0.001 0.000 0.195 422 E C 0.579 177.190 176.600 0.019 0.000 1.010 422 E CA 0.617 57.017 56.400 -0.001 0.000 0.856 422 E CB 0.002 29.712 29.700 0.017 0.000 0.795 422 E HN 0.348 nan 8.360 nan 0.000 0.504 423 N N 1.382 120.069 118.700 -0.022 0.000 2.791 423 N HA 0.217 4.957 4.740 0.001 0.000 0.265 423 N C -2.642 172.818 175.510 -0.084 0.000 1.580 423 N CA -1.057 51.987 53.050 -0.011 0.000 0.809 423 N CB 1.439 39.931 38.487 0.010 0.000 1.178 423 N HN -0.050 nan 8.380 nan 0.000 0.499 424 P HA 0.031 nan 4.420 nan 0.000 0.269 424 P C 0.352 177.545 177.300 -0.178 0.000 1.215 424 P CA -0.079 62.805 63.100 -0.359 0.000 0.780 424 P CB 0.907 32.068 31.700 -0.898 0.000 0.898 425 K N 0.472 120.810 120.400 -0.103 0.000 2.180 425 K HA 0.386 4.707 4.320 0.001 0.000 0.251 425 K C -0.569 176.080 176.600 0.082 0.000 1.014 425 K CA -0.745 55.546 56.287 0.006 0.000 0.913 425 K CB 0.440 32.945 32.500 0.009 0.000 1.008 425 K HN 0.187 nan 8.250 nan 0.000 0.490 426 V N 1.844 121.853 119.914 0.158 0.000 2.513 426 V HA 0.405 4.525 4.120 0.001 0.000 0.299 426 V C -1.281 174.911 176.094 0.164 0.000 1.035 426 V CA -0.756 61.673 62.300 0.214 0.000 0.889 426 V CB 1.796 33.756 31.823 0.228 0.000 0.988 426 V HN 0.623 nan 8.190 nan 0.000 0.440 427 V N 7.094 127.114 119.914 0.176 0.000 2.483 427 V HA 0.409 4.529 4.120 0.001 0.000 0.297 427 V C -0.450 175.787 176.094 0.239 0.000 1.027 427 V CA -0.672 61.735 62.300 0.177 0.000 0.855 427 V CB 1.513 33.410 31.823 0.123 0.000 0.995 427 V HN 0.785 nan 8.190 nan 0.000 0.424 428 F N 6.206 126.214 119.950 0.096 0.000 2.429 428 F HA 0.653 5.181 4.527 0.001 0.000 0.348 428 F C -0.120 175.728 175.800 0.080 0.000 1.109 428 F CA -0.583 57.461 58.000 0.073 0.000 1.232 428 F CB 0.668 39.672 39.000 0.006 0.000 1.157 428 F HN 0.346 nan 8.300 nan 0.000 0.564 429 I N 5.789 125.911 120.570 -0.748 0.000 2.468 429 I HA 0.189 4.359 4.170 0.001 0.000 0.285 429 I C -0.860 174.697 176.117 -0.933 0.000 1.039 429 I CA -0.708 60.224 61.300 -0.613 0.000 1.074 429 I CB 1.711 39.579 38.000 -0.220 0.000 1.228 429 I HN 0.588 nan 8.210 nan 0.000 0.436 430 E N 6.758 126.558 120.200 -0.666 0.000 2.343 430 E HA 0.380 4.731 4.350 0.001 0.000 0.269 430 E C -0.053 176.399 176.600 -0.245 0.000 1.047 430 E CA -0.717 55.404 56.400 -0.466 0.000 0.874 430 E CB 2.152 31.887 29.700 0.059 0.000 1.033 430 E HN 0.493 nan 8.360 nan 0.000 0.409 431 I N 2.718 123.196 120.570 -0.153 0.000 2.948 431 I HA -0.163 4.008 4.170 0.001 0.000 0.303 431 I C 0.759 176.880 176.117 0.006 0.000 1.224 431 I CA 0.537 61.778 61.300 -0.097 0.000 1.442 431 I CB 0.518 38.483 38.000 -0.058 0.000 1.328 431 I HN 0.798 nan 8.210 nan 0.000 0.578 432 S N 4.433 120.122 115.700 -0.019 0.000 2.596 432 S HA -0.007 4.463 4.470 0.001 0.000 0.260 432 S C 0.716 175.398 174.600 0.136 0.000 1.336 432 S CA -0.024 58.203 58.200 0.044 0.000 0.993 432 S CB 0.985 64.185 63.200 -0.000 0.000 0.923 432 S HN 0.740 nan 8.310 nan 0.000 0.567 433 D N -0.484 120.001 120.400 0.141 0.000 2.328 433 D HA -0.007 4.633 4.640 0.001 0.000 0.226 433 D C -0.072 176.341 176.300 0.188 0.000 1.066 433 D CA -0.004 54.107 54.000 0.186 0.000 0.861 433 D CB -0.254 40.645 40.800 0.164 0.000 0.912 433 D HN 0.384 nan 8.370 nan 0.000 0.521 434 Q N 1.362 121.282 119.800 0.200 0.000 2.286 434 Q HA 0.077 4.418 4.340 0.001 0.000 0.267 434 Q C 0.387 176.555 176.000 0.280 0.000 1.028 434 Q CA 0.157 56.099 55.803 0.231 0.000 0.901 434 Q CB 0.814 29.692 28.738 0.233 0.000 1.183 434 Q HN 0.368 nan 8.270 nan 0.000 0.392 435 R N 1.307 121.882 120.500 0.125 0.000 3.416 435 R HA -0.231 4.110 4.340 0.001 0.000 0.263 435 R C -0.602 175.621 176.300 -0.129 0.000 1.053 435 R CA -0.109 55.944 56.100 -0.079 0.000 0.705 435 R CB -1.197 28.862 30.300 -0.402 0.000 1.124 435 R HN 0.496 nan 8.270 nan 0.000 0.444 436 L N 0.612 121.887 121.223 0.087 0.000 2.540 436 L HA 0.175 4.516 4.340 0.001 0.000 0.276 436 L C 0.171 177.050 176.870 0.015 0.000 1.212 436 L CA 1.372 56.285 54.840 0.121 0.000 0.893 436 L CB 1.395 43.630 42.059 0.293 0.000 1.138 436 L HN 0.303 nan 8.230 nan 0.000 0.491 437 S N 4.453 120.114 115.700 -0.065 0.000 2.595 437 S HA 0.494 4.965 4.470 0.001 0.000 0.281 437 S C -0.369 174.210 174.600 -0.035 0.000 1.117 437 S CA -0.952 57.159 58.200 -0.148 0.000 0.873 437 S CB 0.892 63.889 63.200 -0.339 0.000 1.108 437 S HN 0.692 nan 8.310 nan 0.000 0.477 438 I N 3.141 123.706 120.570 -0.007 0.000 2.826 438 I HA 0.198 4.368 4.170 0.001 0.000 0.295 438 I C 1.153 177.311 176.117 0.068 0.000 1.213 438 I CA 0.487 61.811 61.300 0.039 0.000 1.436 438 I CB -0.010 38.058 38.000 0.113 0.000 1.348 438 I HN 0.821 nan 8.210 nan 0.000 0.570 439 G N 5.955 114.789 108.800 0.057 0.000 2.138 439 G HA2 0.235 4.195 3.960 0.001 0.000 0.244 439 G HA3 0.235 4.195 3.960 0.001 0.000 0.244 439 G C -0.281 174.770 174.900 0.252 0.000 1.166 439 G CA 0.413 45.584 45.100 0.118 0.000 0.902 439 G HN 0.920 nan 8.290 nan 0.000 0.460 440 S N 2.345 118.143 115.700 0.163 0.000 2.596 440 S HA 0.707 5.177 4.470 0.001 0.000 0.270 440 S C -3.327 170.894 174.600 -0.632 0.000 1.155 440 S CA -1.565 56.524 58.200 -0.185 0.000 0.827 440 S CB 2.294 65.237 63.200 -0.428 0.000 1.130 440 S HN 0.331 nan 8.310 nan 0.000 0.467 441 P HA 0.363 nan 4.420 nan 0.000 0.264 441 P C -0.663 176.549 177.300 -0.147 0.000 1.193 441 P CA 0.366 63.036 63.100 -0.717 0.000 0.763 441 P CB 0.566 31.967 31.700 -0.499 0.000 0.810 442 S N 2.097 117.793 115.700 -0.007 0.000 2.732 442 S HA 0.746 5.216 4.470 0.001 0.000 0.293 442 S C -0.814 173.832 174.600 0.076 0.000 1.159 442 S CA -0.746 57.455 58.200 0.003 0.000 0.847 442 S CB 1.968 65.099 63.200 -0.116 0.000 1.169 442 S HN 0.403 nan 8.310 nan 0.000 0.501 443 K N 0.799 121.106 120.400 -0.155 0.000 2.557 443 K HA 0.570 4.891 4.320 0.001 0.000 0.257 443 K C -2.157 174.366 176.600 -0.128 0.000 0.933 443 K CA -0.454 55.865 56.287 0.054 0.000 0.820 443 K CB 1.607 34.314 32.500 0.344 0.000 1.330 443 K HN 0.665 nan 8.250 nan 0.000 0.432 444 I N 5.247 125.860 120.570 0.072 0.000 2.433 444 I HA 0.547 4.717 4.170 0.001 0.000 0.292 444 I C -1.649 174.611 176.117 0.239 0.000 1.001 444 I CA -0.693 60.682 61.300 0.126 0.000 1.119 444 I CB 0.929 39.063 38.000 0.223 0.000 1.289 444 I HN 0.737 nan 8.210 nan 0.000 0.438 445 Y N 4.203 124.558 120.300 0.092 0.000 2.562 445 Y HA 0.591 5.141 4.550 0.001 0.000 0.345 445 Y C -1.428 174.494 175.900 0.038 0.000 1.045 445 Y CA -1.365 56.793 58.100 0.096 0.000 1.028 445 Y CB 0.773 39.300 38.460 0.112 0.000 1.297 445 Y HN 0.333 nan 8.280 nan 0.000 0.463 446 D N 1.770 122.317 120.400 0.245 0.000 2.264 446 D HA 0.347 4.987 4.640 0.001 0.000 0.250 446 D C -0.936 175.492 176.300 0.213 0.000 1.113 446 D CA 0.134 54.219 54.000 0.143 0.000 0.871 446 D CB 1.896 42.798 40.800 0.171 0.000 1.167 446 D HN 0.525 nan 8.370 nan 0.000 0.447 447 S N 2.206 117.938 115.700 0.053 0.000 2.614 447 S HA 0.316 4.786 4.470 0.001 0.000 0.288 447 S C 0.139 174.757 174.600 0.030 0.000 1.137 447 S CA -0.664 57.585 58.200 0.082 0.000 0.992 447 S CB 0.211 63.370 63.200 -0.068 0.000 1.026 447 S HN 0.509 nan 8.310 nan 0.000 0.486 448 L N 3.953 125.223 121.223 0.079 0.000 3.678 448 L HA -0.271 4.069 4.340 0.001 0.000 0.425 448 L C 1.233 178.115 176.870 0.020 0.000 1.240 448 L CA 0.663 55.526 54.840 0.038 0.000 0.876 448 L CB -1.873 40.183 42.059 -0.005 0.000 1.766 448 L HN 1.220 nan 8.230 nan 0.000 0.917 449 G N -0.491 108.331 108.800 0.036 0.000 2.175 449 G HA2 -0.262 3.699 3.960 0.001 0.000 0.244 449 G HA3 -0.262 3.699 3.960 0.001 0.000 0.244 449 G C -0.015 174.890 174.900 0.007 0.000 0.982 449 G CA 0.723 45.838 45.100 0.025 0.000 0.641 449 G HN 0.919 nan 8.290 nan 0.000 0.527 450 Q N -0.407 119.385 119.800 -0.012 0.000 2.391 450 Q HA 0.724 5.064 4.340 0.001 0.000 0.279 450 Q C -3.282 172.672 176.000 -0.076 0.000 1.028 450 Q CA -1.924 53.858 55.803 -0.035 0.000 0.836 450 Q CB 2.708 31.425 28.738 -0.034 0.000 1.414 450 Q HN 0.136 nan 8.270 nan 0.000 0.397 451 P HA 0.225 nan 4.420 nan 0.000 0.274 451 P C -0.973 176.196 177.300 -0.218 0.000 1.231 451 P CA -0.341 62.672 63.100 -0.145 0.000 0.790 451 P CB 0.938 32.576 31.700 -0.102 0.000 0.951 452 V N 2.508 122.174 119.914 -0.414 0.000 2.789 452 V HA 0.480 4.600 4.120 0.001 0.000 0.311 452 V C -0.670 175.239 176.094 -0.308 0.000 1.073 452 V CA -0.534 61.502 62.300 -0.440 0.000 0.921 452 V CB 1.876 33.201 31.823 -0.831 0.000 1.009 452 V HN 0.432 nan 8.190 nan 0.000 0.426 453 F N 3.915 123.762 119.950 -0.173 0.000 2.495 453 F HA 0.717 5.244 4.527 0.000 0.000 0.327 453 F C -1.086 174.894 175.800 0.301 0.000 1.103 453 F CA -0.696 57.316 58.000 0.020 0.000 0.949 453 F CB 1.663 40.599 39.000 -0.106 0.000 1.142 453 F HN 0.566 nan 8.300 nan 0.000 0.457 454 Y N 5.492 125.794 120.300 0.004 0.000 2.391 454 Y HA 0.442 4.992 4.550 0.000 0.000 0.341 454 Y C -1.331 174.554 175.900 -0.024 0.000 0.965 454 Y CA -0.652 57.573 58.100 0.208 0.000 1.067 454 Y CB 1.369 39.938 38.460 0.183 0.000 1.199 454 Y HN 0.668 nan 8.280 nan 0.000 0.450 455 Q N 5.234 124.701 119.800 -0.554 0.000 2.330 455 Q HA 0.753 5.093 4.340 0.001 0.000 0.269 455 Q C -1.151 174.261 176.000 -0.979 0.000 1.022 455 Q CA -1.002 54.500 55.803 -0.502 0.000 0.796 455 Q CB 1.723 30.515 28.738 0.091 0.000 1.271 455 Q HN 0.985 nan 8.270 nan 0.000 0.450 456 A N 2.686 125.030 122.820 -0.793 0.000 2.483 456 A HA 0.246 4.567 4.320 0.001 0.000 0.238 456 A C -0.178 177.151 177.584 -0.425 0.000 1.070 456 A CA -0.058 51.619 52.037 -0.600 0.000 0.770 456 A CB 0.475 19.107 19.000 -0.613 0.000 1.008 456 A HN 0.718 nan 8.150 nan 0.000 0.497 457 S N 1.794 117.382 115.700 -0.187 0.000 2.955 457 S HA 0.336 4.807 4.470 0.001 0.000 0.294 457 S C -0.415 174.305 174.600 0.201 0.000 1.198 457 S CA -0.166 57.977 58.200 -0.095 0.000 1.008 457 S CB -0.480 62.638 63.200 -0.137 0.000 1.279 457 S HN 0.510 nan 8.310 nan 0.000 0.508 458 F N 1.404 121.301 119.950 -0.089 0.000 2.645 458 F HA 0.372 4.899 4.527 0.001 0.000 0.300 458 F C 1.417 177.234 175.800 0.029 0.000 1.115 458 F CA -0.503 57.474 58.000 -0.038 0.000 1.355 458 F CB -0.409 38.629 39.000 0.063 0.000 1.026 458 F HN 0.440 nan 8.300 nan 0.000 0.536 459 S N -1.064 114.700 115.700 0.107 0.000 4.205 459 S HA 0.216 4.686 4.470 0.001 0.000 0.268 459 S C 0.779 175.368 174.600 -0.019 0.000 1.082 459 S CA -0.214 58.028 58.200 0.070 0.000 1.431 459 S CB -0.094 63.135 63.200 0.048 0.000 1.370 459 S HN 0.289 nan 8.310 nan 0.000 0.740 460 W N 1.199 122.529 121.300 0.050 0.000 2.770 460 W HA 0.283 4.943 4.660 0.000 0.000 0.256 460 W C 0.090 176.614 176.519 0.008 0.000 1.291 460 W CA 0.542 57.904 57.345 0.027 0.000 1.396 460 W CB -0.761 28.717 29.460 0.030 0.000 1.114 460 W HN 0.445 nan 8.180 nan 0.000 0.637 461 D N 2.803 122.742 120.400 -0.768 0.000 2.517 461 D HA 0.035 4.675 4.640 0.001 0.000 0.220 461 D C 1.302 177.403 176.300 -0.331 0.000 1.158 461 D CA 0.417 54.016 54.000 -0.668 0.000 0.992 461 D CB 0.639 40.718 40.800 -1.203 0.000 1.058 461 D HN 0.051 nan 8.370 nan 0.000 0.516 462 T N -0.113 114.357 114.554 -0.140 0.000 3.107 462 T HA 0.122 4.473 4.350 0.001 0.000 0.249 462 T C 1.036 175.656 174.700 -0.133 0.000 1.096 462 T CA -0.376 61.651 62.100 -0.122 0.000 1.012 462 T CB -0.057 68.760 68.868 -0.084 0.000 0.977 462 T HN 0.094 nan 8.240 nan 0.000 0.527 463 M N 1.523 121.057 119.600 -0.109 0.000 2.255 463 M HA 0.437 4.917 4.480 0.001 0.000 0.336 463 M C 0.399 176.624 176.300 -0.124 0.000 1.135 463 M CA -2.307 52.937 55.300 -0.094 0.000 1.145 463 M CB 0.691 33.275 32.600 -0.027 0.000 1.473 463 M HN 0.207 nan 8.290 nan 0.000 0.462 464 I N 2.747 123.244 120.570 -0.121 0.000 2.752 464 I HA -0.104 4.067 4.170 0.001 0.000 0.289 464 I C 0.029 176.186 176.117 0.067 0.000 1.197 464 I CA 0.622 61.880 61.300 -0.070 0.000 1.432 464 I CB 0.149 38.052 38.000 -0.162 0.000 1.359 464 I HN 0.524 nan 8.210 nan 0.000 0.571 465 K N 9.549 129.959 120.400 0.015 0.000 2.354 465 K HA 0.394 4.714 4.320 0.001 0.000 0.257 465 K C -1.051 175.890 176.600 0.570 0.000 1.062 465 K CA -0.283 56.035 56.287 0.051 0.000 0.971 465 K CB 0.736 32.973 32.500 -0.439 0.000 1.305 465 K HN 0.544 nan 8.250 nan 0.000 0.449 466 F N -1.445 118.839 119.950 0.556 0.000 2.686 466 F HA 0.812 5.339 4.527 0.001 0.000 0.311 466 F C -0.515 175.526 175.800 0.402 0.000 1.128 466 F CA -1.042 57.303 58.000 0.576 0.000 0.946 466 F CB 1.821 41.178 39.000 0.595 0.000 1.336 466 F HN 0.468 nan 8.300 nan 0.000 0.457 467 G N 0.686 109.528 108.800 0.071 0.000 2.325 467 G HA2 0.288 4.249 3.960 0.001 0.000 0.297 467 G HA3 0.288 4.249 3.960 0.001 0.000 0.297 467 G C -2.452 172.378 174.900 -0.117 0.000 1.448 467 G CA -1.048 43.896 45.100 -0.260 0.000 0.838 467 G HN 0.701 nan 8.290 nan 0.000 0.579 468 D N -0.124 120.227 120.400 -0.082 0.000 2.443 468 D HA 0.266 4.906 4.640 0.001 0.000 0.239 468 D C 0.726 176.921 176.300 -0.175 0.000 1.136 468 D CA 0.231 54.204 54.000 -0.045 0.000 0.879 468 D CB 1.764 42.574 40.800 0.017 0.000 1.195 468 D HN 0.173 nan 8.370 nan 0.000 0.443 469 V N 4.513 124.331 119.914 -0.161 0.000 2.415 469 V HA -0.011 4.109 4.120 0.001 0.000 0.267 469 V C 1.715 177.703 176.094 -0.177 0.000 1.042 469 V CA -0.058 62.121 62.300 -0.203 0.000 1.000 469 V CB 0.656 32.376 31.823 -0.171 0.000 1.015 469 V HN 0.463 nan 8.190 nan 0.000 0.478 470 L N 3.887 124.989 121.223 -0.201 0.000 2.044 470 L HA 0.031 4.371 4.340 0.001 0.000 0.205 470 L C 1.139 177.926 176.870 -0.139 0.000 1.075 470 L CA 1.414 56.161 54.840 -0.155 0.000 0.747 470 L CB -0.119 41.845 42.059 -0.158 0.000 0.903 470 L HN 0.852 nan 8.230 nan 0.000 0.435 471 T N -5.337 109.119 114.554 -0.163 0.000 2.912 471 T HA 0.388 4.738 4.350 0.001 0.000 0.299 471 T C 0.508 175.092 174.700 -0.194 0.000 1.052 471 T CA -0.737 61.273 62.100 -0.151 0.000 0.996 471 T CB 2.304 71.100 68.868 -0.120 0.000 1.070 471 T HN -0.250 nan 8.240 nan 0.000 0.465 472 V N 1.043 120.831 119.914 -0.211 0.000 2.407 472 V HA 0.138 4.258 4.120 0.001 0.000 0.245 472 V C 0.911 176.864 176.094 -0.235 0.000 1.041 472 V CA 1.265 63.386 62.300 -0.298 0.000 1.040 472 V CB -0.598 30.939 31.823 -0.477 0.000 0.671 472 V HN 0.969 nan 8.190 nan 0.000 0.455 473 N N 0.633 119.243 118.700 -0.151 0.000 2.558 473 N HA 0.323 5.063 4.740 0.001 0.000 0.285 473 N C -2.728 172.744 175.510 -0.063 0.000 1.112 473 N CA -1.309 51.691 53.050 -0.082 0.000 0.857 473 N CB 1.629 40.114 38.487 -0.004 0.000 1.376 473 N HN 0.137 nan 8.380 nan 0.000 0.526 474 P HA 0.181 nan 4.420 nan 0.000 0.272 474 P C -0.534 176.685 177.300 -0.135 0.000 1.230 474 P CA -0.650 62.398 63.100 -0.086 0.000 0.788 474 P CB 1.004 32.667 31.700 -0.061 0.000 0.949 475 L N 2.899 124.018 121.223 -0.173 0.000 2.325 475 L HA 0.235 4.575 4.340 0.001 0.000 0.284 475 L C -0.715 176.003 176.870 -0.253 0.000 1.089 475 L CA -0.110 54.582 54.840 -0.247 0.000 0.836 475 L CB 0.116 41.989 42.059 -0.310 0.000 1.184 475 L HN 0.087 nan 8.230 nan 0.000 0.444 476 V N 5.888 125.640 119.914 -0.270 0.000 2.588 476 V HA 0.544 4.664 4.120 0.001 0.000 0.304 476 V C -0.506 175.345 176.094 -0.406 0.000 1.042 476 V CA -0.734 61.395 62.300 -0.285 0.000 0.877 476 V CB 2.052 33.760 31.823 -0.191 0.000 0.996 476 V HN 0.448 nan 8.190 nan 0.000 0.425 477 V N 3.290 122.843 119.914 -0.602 0.000 2.448 477 V HA 0.410 4.531 4.120 0.001 0.000 0.295 477 V C 0.070 175.671 176.094 -0.823 0.000 1.025 477 V CA -0.744 61.046 62.300 -0.849 0.000 0.859 477 V CB 1.911 32.842 31.823 -1.487 0.000 0.988 477 V HN 0.857 nan 8.190 nan 0.000 0.431 478 N N 4.636 123.020 118.700 -0.526 0.000 2.968 478 N HA 0.143 4.883 4.740 0.001 0.000 0.271 478 N C -0.452 174.871 175.510 -0.310 0.000 1.174 478 N CA -0.441 52.399 53.050 -0.351 0.000 1.096 478 N CB 0.000 38.332 38.487 -0.259 0.000 1.403 478 N HN 0.605 nan 8.380 nan 0.000 0.522 479 W N 2.808 124.028 121.300 -0.133 0.000 2.257 479 W HA 0.126 4.786 4.660 0.000 0.000 0.337 479 W C 1.010 177.413 176.519 -0.193 0.000 1.321 479 W CA -0.765 56.509 57.345 -0.119 0.000 1.267 479 W CB 0.434 29.866 29.460 -0.047 0.000 1.187 479 W HN 0.018 nan 8.180 nan 0.000 0.565 480 R N 2.793 123.288 120.500 -0.007 0.000 2.623 480 R HA -0.001 4.339 4.340 0.001 0.000 0.271 480 R C 0.035 176.357 176.300 0.036 0.000 1.043 480 R CA -0.275 55.743 56.100 -0.136 0.000 1.083 480 R CB -0.056 30.130 30.300 -0.189 0.000 0.974 480 R HN 0.439 nan 8.270 nan 0.000 0.436 481 N N 2.664 121.362 118.700 -0.003 0.000 3.124 481 N HA -0.030 4.711 4.740 0.001 0.000 0.284 481 N C -0.316 175.229 175.510 0.058 0.000 1.209 481 N CA 0.019 53.088 53.050 0.032 0.000 1.149 481 N CB 0.161 38.656 38.487 0.013 0.000 1.434 481 N HN 0.350 nan 8.380 nan 0.000 0.529 482 N N 0.881 119.642 118.700 0.102 0.000 2.419 482 N HA 0.074 4.814 4.740 0.001 0.000 0.264 482 N C 0.597 176.150 175.510 0.073 0.000 1.031 482 N CA -0.048 53.084 53.050 0.136 0.000 0.951 482 N CB 0.997 39.638 38.487 0.255 0.000 1.101 482 N HN 0.244 nan 8.380 nan 0.000 0.488 483 T N -0.231 114.358 114.554 0.058 0.000 3.092 483 T HA 0.120 4.470 4.350 0.001 0.000 0.258 483 T C 1.257 175.966 174.700 0.015 0.000 1.031 483 T CA 0.196 62.316 62.100 0.033 0.000 0.925 483 T CB -0.387 68.495 68.868 0.023 0.000 1.036 483 T HN 0.284 nan 8.240 nan 0.000 0.544 484 V N -2.578 117.333 119.914 -0.005 0.000 3.497 484 V HA 0.551 4.671 4.120 0.001 0.000 0.272 484 V C 0.042 176.070 176.094 -0.111 0.000 1.474 484 V CA -0.526 61.755 62.300 -0.032 0.000 1.025 484 V CB 0.048 31.855 31.823 -0.027 0.000 0.820 484 V HN 0.268 nan 8.190 nan 0.000 0.437 485 I N 1.749 122.140 120.570 -0.298 0.000 2.354 485 I HA 0.768 4.938 4.170 0.001 0.000 0.292 485 I C 0.075 175.932 176.117 -0.433 0.000 0.989 485 I CA 0.393 61.323 61.300 -0.617 0.000 1.188 485 I CB 1.010 38.265 38.000 -1.242 0.000 1.342 485 I HN 0.343 nan 8.210 nan 0.000 0.457 486 S N 6.361 121.790 115.700 -0.452 0.000 2.903 486 S HA 0.842 5.312 4.470 0.001 0.000 0.314 486 S C -1.074 173.293 174.600 -0.388 0.000 1.177 486 S CA -0.552 57.405 58.200 -0.405 0.000 0.859 486 S CB 2.061 64.940 63.200 -0.536 0.000 1.265 486 S HN 0.731 nan 8.310 nan 0.000 0.584 487 R N 0.599 120.904 120.500 -0.326 0.000 2.710 487 R HA 0.546 4.887 4.340 0.001 0.000 0.270 487 R C -3.496 172.676 176.300 -0.213 0.000 1.021 487 R CA -1.936 54.044 56.100 -0.199 0.000 0.889 487 R CB 0.344 30.598 30.300 -0.077 0.000 1.243 487 R HN 0.460 nan 8.270 nan 0.000 0.464 488 P HA 0.236 nan 4.420 nan 0.000 0.271 488 P C -0.282 176.950 177.300 -0.114 0.000 1.216 488 P CA 0.212 63.233 63.100 -0.131 0.000 0.776 488 P CB 1.057 32.703 31.700 -0.090 0.000 0.881 489 G N 1.879 110.615 108.800 -0.108 0.000 3.257 489 G HA2 0.413 4.373 3.960 0.001 0.000 0.205 489 G HA3 0.413 4.373 3.960 0.001 0.000 0.205 489 G C -0.616 174.233 174.900 -0.085 0.000 1.234 489 G CA -0.370 44.670 45.100 -0.100 0.000 0.918 489 G HN 0.477 nan 8.290 nan 0.000 0.602 490 Q N -1.331 118.426 119.800 -0.071 0.000 3.083 490 Q HA 0.304 4.644 4.340 0.001 0.000 0.197 490 Q C 2.182 178.166 176.000 -0.027 0.000 1.107 490 Q CA 0.091 55.863 55.803 -0.051 0.000 0.675 490 Q CB 0.655 29.358 28.738 -0.058 0.000 3.807 490 Q HN 0.558 nan 8.270 nan 0.000 0.357 491 S N -0.491 115.199 115.700 -0.016 0.000 2.387 491 S HA -0.193 4.277 4.470 0.001 0.000 0.226 491 S C 1.806 176.409 174.600 0.004 0.000 1.026 491 S CA 1.514 59.710 58.200 -0.007 0.000 0.972 491 S CB -0.040 63.155 63.200 -0.008 0.000 0.814 491 S HN 0.459 nan 8.310 nan 0.000 0.477 492 Q N 0.330 120.137 119.800 0.013 0.000 2.137 492 Q HA 0.178 4.518 4.340 0.001 0.000 0.198 492 Q C 0.330 176.362 176.000 0.053 0.000 0.960 492 Q CA 1.211 57.032 55.803 0.031 0.000 0.847 492 Q CB -0.030 28.735 28.738 0.044 0.000 0.915 492 Q HN 0.653 nan 8.270 nan 0.000 0.448 493 c N 2.540 121.167 118.600 0.046 0.000 3.401 493 c HA 0.484 5.055 4.570 0.001 0.000 0.204 493 c C -2.374 171.722 174.090 0.009 0.000 1.522 493 c CA -1.576 54.789 56.329 0.059 0.000 1.409 493 c CB 0.050 42.614 42.510 0.089 0.000 1.967 493 c HN 0.410 nan 8.230 nan 0.000 0.496 494 P HA 0.167 nan 4.420 nan 0.000 0.279 494 P C -0.164 177.089 177.300 -0.077 0.000 1.282 494 P CA -0.335 62.744 63.100 -0.036 0.000 0.788 494 P CB 0.689 32.383 31.700 -0.010 0.000 1.139 495 R N -0.197 120.200 120.500 -0.172 0.000 2.583 495 R HA -0.023 4.317 4.340 0.001 0.000 0.274 495 R C -0.007 176.105 176.300 -0.313 0.000 0.998 495 R CA 0.447 56.299 56.100 -0.413 0.000 1.081 495 R CB -0.810 29.099 30.300 -0.651 0.000 0.940 495 R HN 0.437 nan 8.270 nan 0.000 0.413 496 F N -1.129 118.803 119.950 -0.030 0.000 2.748 496 F HA -0.340 4.187 4.527 0.001 0.000 0.370 496 F C 0.612 176.418 175.800 0.011 0.000 0.620 496 F CA 0.906 58.894 58.000 -0.020 0.000 1.233 496 F CB -2.081 36.907 39.000 -0.020 0.000 1.708 496 F HN 0.668 nan 8.300 nan 0.000 0.298 497 N N 1.264 120.045 118.700 0.134 0.000 2.458 497 N HA 0.124 4.864 4.740 0.001 0.000 0.258 497 N C 1.159 176.771 175.510 0.169 0.000 1.219 497 N CA 1.534 54.669 53.050 0.143 0.000 0.902 497 N CB 0.914 39.476 38.487 0.126 0.000 1.076 497 N HN 0.446 nan 8.380 nan 0.000 0.455 498 T N -1.043 113.630 114.554 0.197 0.000 3.016 498 T HA 0.190 4.540 4.350 0.001 0.000 0.271 498 T C 0.605 175.500 174.700 0.324 0.000 0.968 498 T CA -0.260 61.993 62.100 0.255 0.000 0.891 498 T CB -0.412 68.559 68.868 0.172 0.000 1.149 498 T HN 0.361 nan 8.240 nan 0.000 0.524 499 c N 3.914 122.636 118.600 0.202 0.000 2.435 499 c HA 0.522 5.092 4.570 0.001 0.000 0.375 499 c C -2.285 171.744 174.090 -0.101 0.000 1.281 499 c CA -1.464 54.889 56.329 0.041 0.000 1.963 499 c CB 0.565 43.093 42.510 0.029 0.000 2.490 499 c HN 0.336 nan 8.230 nan 0.000 0.557 500 P HA 0.076 nan 4.420 nan 0.000 0.261 500 P C -0.251 176.778 177.300 -0.452 0.000 1.183 500 P CA 0.972 63.378 63.100 -1.158 0.000 0.761 500 P CB 0.400 31.421 31.700 -1.131 0.000 0.785 501 E N 2.473 122.508 120.200 -0.275 0.000 2.408 501 E HA 0.388 4.739 4.350 0.001 0.000 0.275 501 E C -0.343 176.298 176.600 0.067 0.000 0.935 501 E CA -0.801 55.588 56.400 -0.019 0.000 0.775 501 E CB 1.865 31.621 29.700 0.094 0.000 1.277 501 E HN 0.284 nan 8.360 nan 0.000 0.455 502 I N 2.007 122.619 120.570 0.070 0.000 2.291 502 I HA 0.240 4.411 4.170 0.001 0.000 0.292 502 I C 0.102 176.303 176.117 0.139 0.000 1.064 502 I CA -0.325 61.038 61.300 0.105 0.000 1.269 502 I CB -0.029 38.009 38.000 0.063 0.000 1.418 502 I HN 0.453 nan 8.210 nan 0.000 0.485 503 c N 3.630 122.351 118.600 0.203 0.000 3.284 503 c HA 0.641 5.211 4.570 0.001 0.000 0.338 503 c C -1.606 172.666 174.090 0.305 0.000 1.237 503 c CA -0.934 55.519 56.329 0.207 0.000 1.276 503 c CB 1.138 43.746 42.510 0.164 0.000 1.601 503 c HN 0.894 nan 8.230 nan 0.000 0.494 504 W N 3.473 124.798 121.300 0.043 0.000 2.664 504 W HA 0.657 5.317 4.660 0.000 0.000 0.314 504 W C -0.821 175.671 176.519 -0.045 0.000 1.010 504 W CA -0.166 57.196 57.345 0.029 0.000 1.306 504 W CB 0.759 30.247 29.460 0.046 0.000 1.254 504 W HN 1.092 nan 8.180 nan 0.000 0.404 505 E N 4.571 124.557 120.200 -0.357 0.000 2.392 505 E HA 0.694 5.044 4.350 0.001 0.000 0.281 505 E C -0.336 175.996 176.600 -0.446 0.000 1.088 505 E CA -0.682 55.419 56.400 -0.499 0.000 0.850 505 E CB 1.380 30.933 29.700 -0.245 0.000 1.267 505 E HN 0.779 nan 8.360 nan 0.000 0.438 506 G N -0.331 108.158 108.800 -0.519 0.000 2.357 506 G HA2 0.405 4.365 3.960 0.001 0.000 0.289 506 G HA3 0.405 4.365 3.960 0.001 0.000 0.289 506 G C -1.262 173.456 174.900 -0.303 0.000 1.302 506 G CA -0.260 44.665 45.100 -0.291 0.000 0.936 506 G HN 1.406 nan 8.290 nan 0.000 0.513 507 V N -2.897 117.062 119.914 0.074 0.000 2.971 507 V HA 0.786 4.907 4.120 0.001 0.000 0.309 507 V C -0.656 175.720 176.094 0.469 0.000 1.130 507 V CA -1.197 61.241 62.300 0.231 0.000 0.964 507 V CB 1.628 33.512 31.823 0.101 0.000 1.029 507 V HN 1.660 nan 8.190 nan 0.000 0.427 508 Y N 4.075 124.599 120.300 0.373 0.000 2.436 508 Y HA 0.578 5.128 4.550 0.001 0.000 0.343 508 Y C 0.031 176.029 175.900 0.163 0.000 1.008 508 Y CA 0.215 58.467 58.100 0.254 0.000 1.241 508 Y CB 0.659 39.222 38.460 0.172 0.000 1.153 508 Y HN 0.826 nan 8.280 nan 0.000 0.521 509 N N 6.069 124.729 118.700 -0.067 0.000 2.690 509 N HA 0.088 4.828 4.740 0.001 0.000 0.255 509 N C -1.511 173.742 175.510 -0.429 0.000 1.195 509 N CA -0.608 52.390 53.050 -0.087 0.000 0.790 509 N CB 0.736 39.307 38.487 0.141 0.000 1.216 509 N HN 0.756 nan 8.380 nan 0.000 0.528 510 D N 0.577 120.497 120.400 -0.801 0.000 2.411 510 D HA 0.617 5.257 4.640 0.001 0.000 0.251 510 D C -0.284 175.662 176.300 -0.590 0.000 1.201 510 D CA -0.648 52.548 54.000 -1.340 0.000 0.996 510 D CB 1.015 41.092 40.800 -1.205 0.000 1.101 510 D HN 0.281 nan 8.370 nan 0.000 0.504 511 A N -0.208 122.329 122.820 -0.471 0.000 2.449 511 A HA 0.582 4.903 4.320 0.001 0.000 0.302 511 A C -1.739 175.891 177.584 0.077 0.000 1.048 511 A CA -0.880 51.110 52.037 -0.078 0.000 0.708 511 A CB 0.910 19.913 19.000 0.006 0.000 1.274 511 A HN 0.501 nan 8.150 nan 0.000 0.410 512 F N 2.499 122.418 119.950 -0.052 0.000 2.427 512 F HA 0.516 5.044 4.527 0.001 0.000 0.348 512 F C -0.180 175.646 175.800 0.044 0.000 1.125 512 F CA -0.909 57.023 58.000 -0.112 0.000 0.989 512 F CB 1.407 40.252 39.000 -0.259 0.000 1.165 512 F HN 0.563 nan 8.300 nan 0.000 0.442 513 L N 7.970 129.201 121.223 0.012 0.000 2.584 513 L HA 0.089 4.430 4.340 0.001 0.000 0.272 513 L C 0.644 177.503 176.870 -0.018 0.000 1.195 513 L CA 0.875 55.596 54.840 -0.197 0.000 0.920 513 L CB 0.113 41.869 42.059 -0.505 0.000 1.173 513 L HN 0.720 nan 8.230 nan 0.000 0.489 514 I N -0.256 120.276 120.570 -0.063 0.000 4.288 514 I HA 0.454 4.624 4.170 0.001 0.000 0.331 514 I C -0.277 175.805 176.117 -0.060 0.000 1.322 514 I CA -0.029 61.283 61.300 0.020 0.000 1.149 514 I CB 0.510 38.531 38.000 0.035 0.000 1.112 514 I HN 0.508 nan 8.210 nan 0.000 0.403 515 D N 1.717 122.018 120.400 -0.165 0.000 2.470 515 D HA 0.197 4.838 4.640 0.001 0.000 0.233 515 D C 0.494 176.631 176.300 -0.272 0.000 1.372 515 D CA -0.411 53.500 54.000 -0.149 0.000 0.994 515 D CB 1.932 42.680 40.800 -0.086 0.000 1.377 515 D HN 0.138 nan 8.370 nan 0.000 0.586 516 R N 3.576 123.925 120.500 -0.252 0.000 2.075 516 R HA 0.101 4.442 4.340 0.001 0.000 0.226 516 R C 1.764 178.014 176.300 -0.082 0.000 1.114 516 R CA 0.749 56.657 56.100 -0.320 0.000 0.972 516 R CB 0.039 30.230 30.300 -0.181 0.000 0.869 516 R HN 0.510 nan 8.270 nan 0.000 0.437 517 I N 1.523 122.078 120.570 -0.026 0.000 2.151 517 I HA -0.303 3.867 4.170 0.001 0.000 0.243 517 I C 1.160 177.318 176.117 0.069 0.000 1.080 517 I CA 1.348 62.669 61.300 0.035 0.000 1.339 517 I CB -0.270 37.742 38.000 0.020 0.000 1.039 517 I HN 0.279 nan 8.210 nan 0.000 0.409 518 N N -1.163 117.563 118.700 0.043 0.000 2.280 518 N HA -0.043 4.697 4.740 0.001 0.000 0.192 518 N C -0.382 175.210 175.510 0.137 0.000 1.109 518 N CA 0.008 53.103 53.050 0.074 0.000 0.855 518 N CB 0.181 38.693 38.487 0.041 0.000 0.974 518 N HN 0.302 nan 8.380 nan 0.000 0.482 519 W N 1.465 122.745 121.300 -0.034 0.000 6.544 519 W HA -0.208 4.452 4.660 0.000 0.000 0.423 519 W C -0.731 175.744 176.519 -0.074 0.000 1.688 519 W CA 0.112 57.422 57.345 -0.059 0.000 1.082 519 W CB -1.651 27.768 29.460 -0.068 0.000 2.917 519 W HN -0.028 nan 8.180 nan 0.000 1.481 520 I N 1.679 122.172 120.570 -0.127 0.000 2.412 520 I HA 0.477 4.648 4.170 0.001 0.000 0.296 520 I C 0.749 176.681 176.117 -0.309 0.000 0.987 520 I CA -0.510 60.686 61.300 -0.174 0.000 1.180 520 I CB 1.604 39.532 38.000 -0.119 0.000 1.340 520 I HN -0.140 nan 8.210 nan 0.000 0.455 521 S N 3.277 118.685 115.700 -0.488 0.000 2.661 521 S HA 0.901 5.371 4.470 0.001 0.000 0.285 521 S C -0.959 173.340 174.600 -0.502 0.000 1.138 521 S CA -0.765 57.163 58.200 -0.453 0.000 0.855 521 S CB 2.200 65.216 63.200 -0.307 0.000 1.136 521 S HN 0.723 nan 8.310 nan 0.000 0.484 522 A N 0.198 122.907 122.820 -0.186 0.000 2.449 522 A HA 0.983 5.304 4.320 0.001 0.000 0.302 522 A C -0.167 177.288 177.584 -0.215 0.000 1.048 522 A CA -0.390 51.520 52.037 -0.211 0.000 0.708 522 A CB 1.596 20.479 19.000 -0.195 0.000 1.274 522 A HN 1.267 nan 8.150 nan 0.000 0.410 523 G N -0.815 107.660 108.800 -0.541 0.000 2.550 523 G HA2 0.566 4.526 3.960 0.001 0.000 0.293 523 G HA3 0.566 4.526 3.960 0.001 0.000 0.293 523 G C -1.859 172.245 174.900 -1.325 0.000 1.402 523 G CA -0.372 44.219 45.100 -0.849 0.000 0.784 523 G HN 1.154 nan 8.290 nan 0.000 0.482 524 V N 0.787 120.028 119.914 -1.123 0.000 2.357 524 V HA 0.642 4.763 4.120 0.001 0.000 0.284 524 V C -0.982 174.578 176.094 -0.890 0.000 1.018 524 V CA -0.471 61.346 62.300 -0.805 0.000 0.841 524 V CB 0.462 32.103 31.823 -0.304 0.000 0.991 524 V HN 0.472 nan 8.190 nan 0.000 0.437 525 F N 4.105 123.975 119.950 -0.132 0.000 2.538 525 F HA 0.636 5.164 4.527 0.001 0.000 0.325 525 F C 0.054 175.796 175.800 -0.096 0.000 1.066 525 F CA -1.347 56.573 58.000 -0.133 0.000 0.946 525 F CB 1.503 40.393 39.000 -0.182 0.000 1.199 525 F HN 0.179 nan 8.300 nan 0.000 0.473 526 L N 2.097 123.380 121.223 0.100 0.000 2.255 526 L HA 0.279 4.620 4.340 0.001 0.000 0.289 526 L C -0.241 176.632 176.870 0.005 0.000 1.046 526 L CA -0.473 54.382 54.840 0.024 0.000 0.816 526 L CB 0.595 42.658 42.059 0.006 0.000 1.197 526 L HN 0.505 nan 8.230 nan 0.000 0.427 527 D N 2.666 123.071 120.400 0.008 0.000 2.619 527 D HA 0.192 4.832 4.640 0.001 0.000 0.224 527 D C -0.448 175.850 176.300 -0.004 0.000 1.133 527 D CA 0.434 54.440 54.000 0.011 0.000 1.017 527 D CB 0.402 41.220 40.800 0.029 0.000 1.077 527 D HN 0.405 nan 8.370 nan 0.000 0.503 528 S N 1.777 117.458 115.700 -0.032 0.000 2.537 528 S HA 0.261 4.731 4.470 0.001 0.000 0.271 528 S C 0.544 175.101 174.600 -0.072 0.000 1.148 528 S CA -0.756 57.423 58.200 -0.034 0.000 0.868 528 S CB 0.982 64.162 63.200 -0.034 0.000 1.115 528 S HN 0.166 nan 8.310 nan 0.000 0.461 529 N N 1.775 120.446 118.700 -0.049 0.000 2.250 529 N HA 0.121 4.861 4.740 0.001 0.000 0.181 529 N C 0.880 176.344 175.510 -0.077 0.000 1.017 529 N CA 1.106 54.114 53.050 -0.071 0.000 0.866 529 N CB 0.047 38.530 38.487 -0.007 0.000 0.985 529 N HN 0.682 nan 8.380 nan 0.000 0.429 530 Q N -0.961 118.807 119.800 -0.054 0.000 2.081 530 Q HA 0.120 4.460 4.340 0.001 0.000 0.220 530 Q C -0.487 175.483 176.000 -0.050 0.000 0.775 530 Q CA -0.018 55.753 55.803 -0.053 0.000 0.983 530 Q CB 1.520 30.236 28.738 -0.037 0.000 1.188 530 Q HN 0.239 nan 8.270 nan 0.000 0.458 531 T N -2.597 111.930 114.554 -0.046 0.000 2.912 531 T HA 0.703 5.053 4.350 0.001 0.000 0.288 531 T C -0.114 174.562 174.700 -0.041 0.000 1.030 531 T CA -0.801 61.274 62.100 -0.041 0.000 1.020 531 T CB 2.001 70.848 68.868 -0.035 0.000 1.056 531 T HN 0.062 nan 8.240 nan 0.000 0.480 532 A N 2.408 125.207 122.820 -0.035 0.000 2.990 532 A HA 0.530 4.851 4.320 0.001 0.000 0.282 532 A C 0.211 177.777 177.584 -0.031 0.000 1.688 532 A CA -0.401 51.622 52.037 -0.024 0.000 1.391 532 A CB -0.784 18.212 19.000 -0.007 0.000 1.112 532 A HN 0.844 nan 8.150 nan 0.000 0.588 533 E N 0.460 120.639 120.200 -0.035 0.000 2.408 533 E HA 0.347 4.697 4.350 0.001 0.000 0.275 533 E C -0.850 175.729 176.600 -0.034 0.000 0.935 533 E CA -1.219 55.154 56.400 -0.046 0.000 0.775 533 E CB 1.307 30.977 29.700 -0.050 0.000 1.277 533 E HN 0.429 nan 8.360 nan 0.000 0.455 534 N N 1.622 120.299 118.700 -0.039 0.000 2.621 534 N HA -0.089 4.652 4.740 0.001 0.000 0.269 534 N C -2.760 172.732 175.510 -0.031 0.000 1.154 534 N CA 0.055 53.085 53.050 -0.032 0.000 0.696 534 N CB -0.422 38.053 38.487 -0.021 0.000 0.878 534 N HN 0.173 nan 8.380 nan 0.000 0.550 535 P HA 0.202 nan 4.420 nan 0.000 0.276 535 P C -0.599 176.651 177.300 -0.083 0.000 1.235 535 P CA -0.158 62.901 63.100 -0.068 0.000 0.772 535 P CB 1.085 32.730 31.700 -0.092 0.000 0.871 536 V N 5.194 125.070 119.914 -0.063 0.000 2.525 536 V HA 0.254 4.374 4.120 0.001 0.000 0.299 536 V C -0.167 175.900 176.094 -0.044 0.000 1.034 536 V CA -0.730 61.554 62.300 -0.027 0.000 0.863 536 V CB 1.408 33.246 31.823 0.026 0.000 0.999 536 V HN 0.435 nan 8.190 nan 0.000 0.423 537 F N 3.987 123.846 119.950 -0.152 0.000 2.504 537 F HA 0.502 5.030 4.527 0.000 0.000 0.369 537 F C 0.535 176.311 175.800 -0.040 0.000 1.082 537 F CA 0.766 58.678 58.000 -0.146 0.000 1.216 537 F CB 0.721 39.639 39.000 -0.137 0.000 1.108 537 F HN 0.506 nan 8.300 nan 0.000 0.554 538 T N 5.902 120.228 114.554 -0.379 0.000 2.879 538 T HA 0.484 4.835 4.350 0.001 0.000 0.290 538 T C -0.975 173.708 174.700 -0.030 0.000 0.993 538 T CA -0.627 61.458 62.100 -0.025 0.000 0.975 538 T CB 1.556 70.562 68.868 0.230 0.000 0.981 538 T HN 0.287 nan 8.240 nan 0.000 0.439 539 V N 5.139 125.028 119.914 -0.041 0.000 2.398 539 V HA 0.823 4.943 4.120 0.001 0.000 0.286 539 V C -0.660 175.392 176.094 -0.070 0.000 1.026 539 V CA -0.754 61.433 62.300 -0.188 0.000 0.868 539 V CB 0.559 32.061 31.823 -0.535 0.000 0.982 539 V HN 0.886 nan 8.190 nan 0.000 0.443 540 F N 2.554 122.447 119.950 -0.095 0.000 2.668 540 F HA 0.803 5.331 4.527 0.000 0.000 0.309 540 F C -0.766 175.086 175.800 0.086 0.000 1.117 540 F CA -1.209 56.786 58.000 -0.008 0.000 0.951 540 F CB 1.544 40.565 39.000 0.035 0.000 1.323 540 F HN 0.253 nan 8.300 nan 0.000 0.451 541 K N 0.497 121.038 120.400 0.236 0.000 2.393 541 K HA 0.292 4.612 4.320 0.001 0.000 0.241 541 K C -0.084 176.758 176.600 0.404 0.000 1.055 541 K CA -0.764 55.668 56.287 0.242 0.000 0.951 541 K CB 0.949 33.545 32.500 0.159 0.000 1.285 541 K HN 0.619 nan 8.250 nan 0.000 0.500 542 D N 0.893 121.476 120.400 0.304 0.000 2.116 542 D HA -0.155 4.486 4.640 0.001 0.000 0.193 542 D C 0.620 177.033 176.300 0.188 0.000 0.998 542 D CA 1.615 55.768 54.000 0.255 0.000 0.836 542 D CB 0.033 40.908 40.800 0.126 0.000 0.951 542 D HN 0.364 nan 8.370 nan 0.000 0.449 543 N N 0.118 118.903 118.700 0.143 0.000 2.235 543 N HA 0.077 4.817 4.740 0.001 0.000 0.231 543 N C -0.572 174.989 175.510 0.085 0.000 1.177 543 N CA 0.021 53.126 53.050 0.092 0.000 0.874 543 N CB 1.875 40.400 38.487 0.063 0.000 1.097 543 N HN 0.281 nan 8.380 nan 0.000 0.518 544 E N 0.747 121.020 120.200 0.122 0.000 2.343 544 E HA 0.290 4.641 4.350 0.001 0.000 0.286 544 E C -1.210 175.477 176.600 0.145 0.000 0.915 544 E CA -0.417 56.047 56.400 0.106 0.000 0.784 544 E CB 1.837 31.593 29.700 0.093 0.000 1.251 544 E HN -0.005 nan 8.360 nan 0.000 0.407 545 I N 6.012 126.649 120.570 0.112 0.000 2.416 545 I HA 0.081 4.251 4.170 0.001 0.000 0.288 545 I C 1.185 177.352 176.117 0.084 0.000 1.051 545 I CA -0.066 61.308 61.300 0.123 0.000 1.375 545 I CB 0.805 38.858 38.000 0.088 0.000 1.407 545 I HN 0.642 nan 8.210 nan 0.000 0.516 546 L N 6.917 128.148 121.223 0.014 0.000 2.130 546 L HA 0.070 4.410 4.340 0.001 0.000 0.200 546 L C -0.232 176.711 176.870 0.121 0.000 1.075 546 L CA 0.696 55.532 54.840 -0.007 0.000 0.768 546 L CB -0.107 41.826 42.059 -0.209 0.000 0.933 546 L HN 0.607 nan 8.230 nan 0.000 0.451 547 Y N -1.552 118.812 120.300 0.107 0.000 2.677 547 Y HA 0.626 5.176 4.550 0.000 0.000 0.334 547 Y C -0.710 175.261 175.900 0.118 0.000 1.196 547 Y CA -1.898 56.256 58.100 0.090 0.000 1.059 547 Y CB 0.870 39.366 38.460 0.060 0.000 1.315 547 Y HN -0.009 nan 8.280 nan 0.000 0.455 548 R N 1.465 122.125 120.500 0.266 0.000 2.734 548 R HA 0.995 5.335 4.340 0.001 0.000 0.271 548 R C -2.085 174.320 176.300 0.176 0.000 1.021 548 R CA -1.158 55.064 56.100 0.204 0.000 0.893 548 R CB 2.074 32.456 30.300 0.138 0.000 1.244 548 R HN 1.376 nan 8.270 nan 0.000 0.464 549 A N 1.621 124.537 122.820 0.159 0.000 2.414 549 A HA 0.280 4.600 4.320 0.001 0.000 0.286 549 A C -0.988 176.620 177.584 0.041 0.000 1.073 549 A CA -0.662 51.424 52.037 0.082 0.000 0.727 549 A CB 1.881 20.908 19.000 0.046 0.000 1.215 549 A HN 0.731 nan 8.150 nan 0.000 0.430 550 Q N 1.959 121.767 119.800 0.013 0.000 2.263 550 Q HA 0.192 4.532 4.340 0.001 0.000 0.289 550 Q C 0.232 176.186 176.000 -0.077 0.000 1.061 550 Q CA 0.154 55.943 55.803 -0.023 0.000 0.927 550 Q CB 0.426 29.159 28.738 -0.009 0.000 1.154 550 Q HN 0.807 nan 8.270 nan 0.000 0.378 551 L N 2.580 123.709 121.223 -0.157 0.000 2.375 551 L HA 0.137 4.478 4.340 0.001 0.000 0.215 551 L C 0.775 177.545 176.870 -0.165 0.000 1.108 551 L CA 0.588 55.237 54.840 -0.318 0.000 0.830 551 L CB -0.050 41.594 42.059 -0.692 0.000 0.959 551 L HN 0.712 nan 8.230 nan 0.000 0.457 552 A N -1.412 121.358 122.820 -0.083 0.000 4.367 552 A HA 0.640 4.961 4.320 0.001 0.000 0.174 552 A C -0.409 177.165 177.584 -0.017 0.000 0.690 552 A CA -0.267 51.760 52.037 -0.016 0.000 0.856 552 A CB 0.465 19.466 19.000 0.002 0.000 1.848 552 A HN -0.042 nan 8.150 nan 0.000 0.887 553 S N -0.610 115.080 115.700 -0.017 0.000 2.722 553 S HA 0.405 4.875 4.470 0.001 0.000 0.292 553 S C 0.602 175.186 174.600 -0.026 0.000 1.135 553 S CA -0.263 57.925 58.200 -0.018 0.000 1.003 553 S CB 1.359 64.547 63.200 -0.019 0.000 1.067 553 S HN 0.579 nan 8.310 nan 0.000 0.546 554 E N 0.904 121.092 120.200 -0.021 0.000 2.204 554 E HA -0.153 4.198 4.350 0.001 0.000 0.194 554 E C 0.632 177.212 176.600 -0.033 0.000 0.989 554 E CA 1.213 57.601 56.400 -0.021 0.000 0.824 554 E CB 0.052 29.745 29.700 -0.012 0.000 0.756 554 E HN 0.624 nan 8.360 nan 0.000 0.477 555 D N -0.905 119.470 120.400 -0.042 0.000 2.368 555 D HA -0.013 4.628 4.640 0.001 0.000 0.218 555 D C -0.150 176.093 176.300 -0.094 0.000 1.112 555 D CA -0.032 53.931 54.000 -0.060 0.000 0.834 555 D CB -0.147 40.621 40.800 -0.053 0.000 0.953 555 D HN -0.222 nan 8.370 nan 0.000 0.505 556 T N 1.783 116.286 114.554 -0.085 0.000 2.901 556 T HA 0.107 4.457 4.350 0.001 0.000 0.301 556 T C 0.316 174.931 174.700 -0.141 0.000 1.012 556 T CA -0.348 61.683 62.100 -0.114 0.000 1.135 556 T CB 0.460 69.291 68.868 -0.062 0.000 0.936 556 T HN 0.084 nan 8.240 nan 0.000 0.539 557 N N 2.005 120.554 118.700 -0.251 0.000 2.514 557 N HA 0.561 5.302 4.740 0.001 0.000 0.277 557 N C -0.430 175.034 175.510 -0.077 0.000 1.126 557 N CA -0.274 52.636 53.050 -0.233 0.000 0.978 557 N CB 1.338 39.507 38.487 -0.531 0.000 1.106 557 N HN 0.780 nan 8.380 nan 0.000 0.461 558 A N 0.988 123.799 122.820 -0.016 0.000 2.594 558 A HA 0.526 4.846 4.320 0.001 0.000 0.295 558 A C -0.244 177.368 177.584 0.046 0.000 1.071 558 A CA -0.485 51.575 52.037 0.038 0.000 0.685 558 A CB 1.994 21.007 19.000 0.022 0.000 1.285 558 A HN 0.654 nan 8.150 nan 0.000 0.405 559 Q N 0.370 120.213 119.800 0.071 0.000 2.880 559 Q HA 0.377 4.717 4.340 0.001 0.000 0.213 559 Q C -0.152 175.908 176.000 0.101 0.000 1.071 559 Q CA -0.489 55.358 55.803 0.073 0.000 0.410 559 Q CB 0.524 29.306 28.738 0.073 0.000 4.879 559 Q HN 0.692 nan 8.270 nan 0.000 0.281 560 K N 1.504 121.979 120.400 0.124 0.000 2.448 560 K HA 0.101 4.421 4.320 0.001 0.000 0.278 560 K C -1.162 175.536 176.600 0.162 0.000 1.009 560 K CA 0.651 57.045 56.287 0.178 0.000 0.995 560 K CB 0.528 33.116 32.500 0.148 0.000 0.917 560 K HN 0.520 nan 8.250 nan 0.000 0.481 561 T N 1.710 116.384 114.554 0.199 0.000 2.886 561 T HA 0.583 4.934 4.350 0.001 0.000 0.292 561 T C -0.344 174.466 174.700 0.184 0.000 1.012 561 T CA -0.940 61.237 62.100 0.128 0.000 0.982 561 T CB 0.708 69.578 68.868 0.003 0.000 1.018 561 T HN 0.451 nan 8.240 nan 0.000 0.451 562 I N 2.509 123.165 120.570 0.143 0.000 2.497 562 I HA 0.360 4.531 4.170 0.001 0.000 0.284 562 I C -0.388 175.780 176.117 0.086 0.000 1.060 562 I CA -0.688 60.709 61.300 0.162 0.000 1.071 562 I CB 2.290 40.379 38.000 0.149 0.000 1.216 562 I HN 0.672 nan 8.210 nan 0.000 0.442 563 T N 5.064 119.636 114.554 0.030 0.000 2.797 563 T HA 0.472 4.822 4.350 0.001 0.000 0.279 563 T C -0.428 174.256 174.700 -0.027 0.000 0.991 563 T CA -0.760 61.345 62.100 0.008 0.000 0.979 563 T CB 1.218 70.054 68.868 -0.054 0.000 0.943 563 T HN 0.423 nan 8.240 nan 0.000 0.444 564 N N 1.263 119.885 118.700 -0.129 0.000 2.260 564 N HA 0.495 5.236 4.740 0.001 0.000 0.293 564 N C -1.262 173.883 175.510 -0.608 0.000 1.058 564 N CA -0.394 52.369 53.050 -0.478 0.000 0.824 564 N CB 2.047 40.459 38.487 -0.125 0.000 1.551 564 N HN 0.538 nan 8.380 nan 0.000 0.475 565 c N 1.713 119.458 118.600 -1.424 0.000 2.614 565 c HA 0.876 5.446 4.570 0.001 0.000 0.320 565 c C -0.490 173.406 174.090 -0.323 0.000 1.200 565 c CA -0.760 55.131 56.329 -0.730 0.000 1.700 565 c CB 0.062 42.273 42.510 -0.498 0.000 2.275 565 c HN 0.819 nan 8.230 nan 0.000 0.492 566 F N -1.301 118.579 119.950 -0.116 0.000 2.858 566 F HA 0.732 5.259 4.527 0.001 0.000 0.319 566 F C -1.854 173.987 175.800 0.068 0.000 1.166 566 F CA -1.492 56.500 58.000 -0.014 0.000 0.899 566 F CB 0.395 39.371 39.000 -0.039 0.000 1.332 566 F HN 0.304 nan 8.300 nan 0.000 0.461 567 L N 2.349 123.755 121.223 0.304 0.000 2.289 567 L HA 0.639 4.979 4.340 0.001 0.000 0.285 567 L C -1.095 175.979 176.870 0.340 0.000 1.049 567 L CA -0.924 54.054 54.840 0.231 0.000 0.804 567 L CB 1.579 43.730 42.059 0.153 0.000 1.195 567 L HN 0.610 nan 8.230 nan 0.000 0.428 568 L N 4.305 125.717 121.223 0.315 0.000 2.349 568 L HA 0.349 4.690 4.340 0.001 0.000 0.278 568 L C -0.120 176.862 176.870 0.187 0.000 0.996 568 L CA -0.296 54.677 54.840 0.222 0.000 0.825 568 L CB 1.096 43.202 42.059 0.079 0.000 1.243 568 L HN 0.462 nan 8.230 nan 0.000 0.412 569 K N 5.405 125.871 120.400 0.109 0.000 3.540 569 K HA -0.272 4.048 4.320 0.001 0.000 0.274 569 K C 0.147 176.806 176.600 0.099 0.000 0.890 569 K CA 0.835 57.174 56.287 0.087 0.000 0.701 569 K CB -1.133 31.411 32.500 0.074 0.000 1.523 569 K HN 0.867 nan 8.250 nan 0.000 0.450 570 N N -1.956 116.800 118.700 0.093 0.000 2.936 570 N HA -0.158 4.582 4.740 0.001 0.000 0.236 570 N C -0.733 174.818 175.510 0.069 0.000 0.930 570 N CA 1.446 54.539 53.050 0.072 0.000 0.966 570 N CB -0.400 38.116 38.487 0.049 0.000 1.090 570 N HN 0.359 nan 8.380 nan 0.000 0.592 571 K N 0.920 121.388 120.400 0.112 0.000 2.259 571 K HA 0.505 4.825 4.320 0.001 0.000 0.252 571 K C 0.537 177.168 176.600 0.052 0.000 0.936 571 K CA -0.582 55.737 56.287 0.054 0.000 0.810 571 K CB 1.623 34.158 32.500 0.058 0.000 1.143 571 K HN 0.081 nan 8.250 nan 0.000 0.427 572 I N 2.244 122.759 120.570 -0.092 0.000 2.452 572 I HA 0.115 4.285 4.170 0.001 0.000 0.287 572 I C -0.442 175.488 176.117 -0.312 0.000 1.079 572 I CA -0.176 61.043 61.300 -0.136 0.000 1.387 572 I CB 0.223 38.154 38.000 -0.114 0.000 1.404 572 I HN 0.267 nan 8.210 nan 0.000 0.522 573 W N 5.470 126.490 121.300 -0.467 0.000 2.761 573 W HA 0.524 5.185 4.660 0.001 0.000 0.340 573 W C -0.727 175.337 176.519 -0.759 0.000 1.072 573 W CA -0.240 56.760 57.345 -0.575 0.000 1.215 573 W CB 1.722 30.788 29.460 -0.656 0.000 1.420 573 W HN 0.330 nan 8.180 nan 0.000 0.519 574 c N 3.265 121.762 118.600 -0.172 0.000 2.456 574 c HA 0.680 5.250 4.570 0.001 0.000 0.325 574 c C -0.086 174.037 174.090 0.054 0.000 1.217 574 c CA -0.792 55.470 56.329 -0.112 0.000 1.687 574 c CB 0.344 42.928 42.510 0.123 0.000 2.270 574 c HN 0.415 nan 8.230 nan 0.000 0.499 575 I N 2.218 122.869 120.570 0.135 0.000 2.406 575 I HA 0.356 4.526 4.170 0.001 0.000 0.290 575 I C -0.182 176.026 176.117 0.151 0.000 0.999 575 I CA 0.304 61.706 61.300 0.169 0.000 1.124 575 I CB 1.648 39.756 38.000 0.180 0.000 1.289 575 I HN 0.608 nan 8.210 nan 0.000 0.441 576 S N 6.861 122.678 115.700 0.195 0.000 2.498 576 S HA 0.463 4.934 4.470 0.001 0.000 0.317 576 S C -0.498 174.236 174.600 0.224 0.000 1.090 576 S CA -0.519 57.803 58.200 0.203 0.000 1.089 576 S CB 1.534 64.886 63.200 0.254 0.000 0.997 576 S HN 0.465 nan 8.310 nan 0.000 0.470 577 L N 5.014 126.343 121.223 0.175 0.000 2.319 577 L HA 0.595 4.936 4.340 0.001 0.000 0.280 577 L C -1.265 175.733 176.870 0.213 0.000 1.099 577 L CA -0.148 54.814 54.840 0.203 0.000 0.828 577 L CB 0.466 42.637 42.059 0.186 0.000 1.150 577 L HN 0.403 nan 8.230 nan 0.000 0.442 578 V N 4.977 125.043 119.914 0.254 0.000 2.482 578 V HA 0.282 4.403 4.120 0.001 0.000 0.295 578 V C -0.296 175.909 176.094 0.184 0.000 1.026 578 V CA -0.796 61.635 62.300 0.218 0.000 0.856 578 V CB 1.567 33.551 31.823 0.269 0.000 1.001 578 V HN 0.737 nan 8.190 nan 0.000 0.424 579 E N 4.521 124.806 120.200 0.142 0.000 2.417 579 E HA 0.461 4.811 4.350 0.001 0.000 0.261 579 E C -0.676 176.002 176.600 0.130 0.000 1.000 579 E CA 0.290 56.760 56.400 0.117 0.000 0.919 579 E CB 1.382 31.142 29.700 0.100 0.000 0.955 579 E HN 0.533 nan 8.360 nan 0.000 0.455 580 I N 3.607 124.262 120.570 0.143 0.000 2.785 580 I HA 0.327 4.498 4.170 0.001 0.000 0.293 580 I C -1.786 174.476 176.117 0.242 0.000 1.446 580 I CA -0.695 60.702 61.300 0.162 0.000 1.028 580 I CB 1.444 39.544 38.000 0.167 0.000 1.349 580 I HN 0.657 nan 8.210 nan 0.000 0.438 581 Y N 4.117 124.420 120.300 0.006 0.000 2.677 581 Y HA 0.574 5.125 4.550 0.001 0.000 0.334 581 Y C -2.164 173.735 175.900 -0.002 0.000 1.196 581 Y CA -1.064 57.031 58.100 -0.008 0.000 1.059 581 Y CB 1.218 39.663 38.460 -0.024 0.000 1.315 581 Y HN 0.330 nan 8.280 nan 0.000 0.455 582 D N 1.404 121.800 120.400 -0.007 0.000 2.252 582 D HA 0.250 4.891 4.640 0.001 0.000 0.245 582 D C -0.731 175.533 176.300 -0.059 0.000 1.009 582 D CA -0.460 53.457 54.000 -0.138 0.000 0.870 582 D CB 2.312 43.090 40.800 -0.038 0.000 1.251 582 D HN 0.680 nan 8.370 nan 0.000 0.460 583 T N 0.608 115.077 114.554 -0.142 0.000 2.849 583 T HA 0.282 4.632 4.350 0.001 0.000 0.289 583 T C 1.308 176.041 174.700 0.054 0.000 1.010 583 T CA 1.228 63.322 62.100 -0.010 0.000 1.161 583 T CB 0.454 69.297 68.868 -0.043 0.000 0.989 583 T HN 0.729 nan 8.240 nan 0.000 0.523 584 G N 3.297 112.158 108.800 0.101 0.000 2.232 584 G HA2 -0.200 3.760 3.960 0.001 0.000 0.226 584 G HA3 -0.200 3.760 3.960 0.001 0.000 0.226 584 G C -0.152 174.790 174.900 0.070 0.000 0.996 584 G CA -0.305 44.835 45.100 0.067 0.000 0.626 584 G HN 0.691 nan 8.290 nan 0.000 0.509 585 D N 0.712 121.182 120.400 0.117 0.000 2.458 585 D HA 0.317 4.958 4.640 0.001 0.000 0.243 585 D C 1.279 177.591 176.300 0.019 0.000 1.146 585 D CA -0.003 54.044 54.000 0.079 0.000 0.877 585 D CB 0.675 41.556 40.800 0.135 0.000 1.176 585 D HN 0.320 nan 8.370 nan 0.000 0.461 586 N N 0.154 118.846 118.700 -0.014 0.000 2.422 586 N HA 0.036 4.776 4.740 0.001 0.000 0.181 586 N C -0.393 175.072 175.510 -0.075 0.000 1.080 586 N CA 0.225 53.251 53.050 -0.041 0.000 0.893 586 N CB 0.593 39.061 38.487 -0.032 0.000 0.973 586 N HN 0.110 nan 8.380 nan 0.000 0.456 587 V N 1.256 121.119 119.914 -0.085 0.000 2.638 587 V HA 0.404 4.524 4.120 0.001 0.000 0.306 587 V C -0.583 175.420 176.094 -0.152 0.000 1.052 587 V CA -0.816 61.413 62.300 -0.118 0.000 0.885 587 V CB 2.390 34.153 31.823 -0.100 0.000 0.999 587 V HN -0.017 nan 8.190 nan 0.000 0.424 588 I N 5.997 126.440 120.570 -0.213 0.000 2.339 588 I HA 0.699 4.869 4.170 0.001 0.000 0.290 588 I C 0.050 176.050 176.117 -0.194 0.000 0.994 588 I CA -0.362 60.791 61.300 -0.244 0.000 1.191 588 I CB 1.216 38.959 38.000 -0.429 0.000 1.343 588 I HN 0.759 nan 8.210 nan 0.000 0.458 589 R N 5.382 125.778 120.500 -0.175 0.000 2.629 589 R HA 0.621 4.961 4.340 0.001 0.000 0.266 589 R C -3.256 172.898 176.300 -0.243 0.000 1.051 589 R CA -1.791 54.167 56.100 -0.237 0.000 0.895 589 R CB 1.252 31.346 30.300 -0.344 0.000 1.246 589 R HN 0.116 nan 8.270 nan 0.000 0.459 590 P HA 0.085 nan 4.420 nan 0.000 0.269 590 P C -1.052 176.116 177.300 -0.220 0.000 1.217 590 P CA -0.245 62.810 63.100 -0.074 0.000 0.783 590 P CB 0.550 32.349 31.700 0.165 0.000 0.898 591 K N 1.196 121.587 120.400 -0.015 0.000 2.267 591 K HA 0.562 4.882 4.320 0.001 0.000 0.246 591 K C -0.661 175.934 176.600 -0.008 0.000 0.954 591 K CA -0.820 55.406 56.287 -0.101 0.000 0.824 591 K CB 1.346 33.711 32.500 -0.225 0.000 1.167 591 K HN 0.341 nan 8.250 nan 0.000 0.431 592 L N 2.855 123.994 121.223 -0.140 0.000 2.296 592 L HA 0.482 4.822 4.340 0.001 0.000 0.286 592 L C -1.037 175.626 176.870 -0.346 0.000 1.023 592 L CA -0.696 54.082 54.840 -0.103 0.000 0.812 592 L CB 0.576 42.576 42.059 -0.098 0.000 1.223 592 L HN 0.438 nan 8.230 nan 0.000 0.421 593 F N 1.844 121.808 119.950 0.023 0.000 2.482 593 F HA 0.632 5.160 4.527 0.001 0.000 0.331 593 F C 0.394 176.193 175.800 -0.001 0.000 1.115 593 F CA -0.610 57.391 58.000 0.002 0.000 0.955 593 F CB 1.912 40.912 39.000 -0.000 0.000 1.136 593 F HN 0.411 nan 8.300 nan 0.000 0.452 594 A N 3.133 126.050 122.820 0.163 0.000 2.292 594 A HA 0.822 5.142 4.320 0.001 0.000 0.319 594 A C -1.187 176.537 177.584 0.233 0.000 1.206 594 A CA -0.595 51.562 52.037 0.199 0.000 0.835 594 A CB 0.814 19.883 19.000 0.115 0.000 1.164 594 A HN 0.557 nan 8.150 nan 0.000 0.505 595 V N 3.087 123.060 119.914 0.098 0.000 2.524 595 V HA 0.309 4.429 4.120 0.001 0.000 0.297 595 V C -0.002 175.818 176.094 -0.457 0.000 1.035 595 V CA -0.788 61.333 62.300 -0.298 0.000 0.867 595 V CB 1.496 32.739 31.823 -0.966 0.000 1.004 595 V HN 0.970 nan 8.190 nan 0.000 0.426 596 K N 4.641 124.468 120.400 -0.956 0.000 2.322 596 K HA 0.416 4.736 4.320 0.001 0.000 0.283 596 K C -0.396 175.815 176.600 -0.648 0.000 1.042 596 K CA -0.585 54.885 56.287 -1.363 0.000 0.958 596 K CB 0.646 32.112 32.500 -1.724 0.000 0.984 596 K HN 0.495 nan 8.250 nan 0.000 0.473 597 I N 7.409 127.697 120.570 -0.470 0.000 2.396 597 I HA 0.148 4.319 4.170 0.001 0.000 0.289 597 I C -1.830 174.164 176.117 -0.205 0.000 1.056 597 I CA -2.673 58.510 61.300 -0.194 0.000 1.365 597 I CB 0.431 38.384 38.000 -0.078 0.000 1.407 597 I HN 0.598 nan 8.210 nan 0.000 0.509 598 P HA 0.164 nan 4.420 nan 0.000 0.271 598 P C 0.187 177.402 177.300 -0.142 0.000 1.216 598 P CA -0.130 62.851 63.100 -0.199 0.000 0.776 598 P CB 1.225 32.766 31.700 -0.266 0.000 0.881 599 E N 0.538 120.661 120.200 -0.128 0.000 2.122 599 E HA -0.075 4.275 4.350 0.001 0.000 0.190 599 E C 0.860 177.413 176.600 -0.079 0.000 0.977 599 E CA 0.635 56.984 56.400 -0.084 0.000 0.820 599 E CB 0.180 29.838 29.700 -0.071 0.000 0.770 599 E HN 0.577 nan 8.360 nan 0.000 0.462 600 Q N -0.143 119.597 119.800 -0.101 0.000 2.297 600 Q HA 0.246 4.587 4.340 0.001 0.000 0.268 600 Q C 0.320 176.235 176.000 -0.141 0.000 1.045 600 Q CA -0.461 55.287 55.803 -0.092 0.000 0.861 600 Q CB 1.531 30.228 28.738 -0.068 0.000 1.344 600 Q HN 0.057 nan 8.270 nan 0.000 0.452 601 c N 0.443 118.974 118.600 -0.116 0.000 2.791 601 c HA 0.137 4.707 4.570 0.001 0.000 0.270 601 c C 0.772 174.798 174.090 -0.108 0.000 1.257 601 c CA 0.331 56.569 56.329 -0.150 0.000 1.699 601 c CB -0.857 41.602 42.510 -0.084 0.000 1.904 601 c HN 0.800 nan 8.230 nan 0.000 0.603 602 T N -1.262 113.249 114.554 -0.073 0.000 2.884 602 T HA 0.261 4.612 4.350 0.001 0.000 0.298 602 T C -0.093 174.598 174.700 -0.015 0.000 0.998 602 T CA -0.118 61.968 62.100 -0.023 0.000 1.124 602 T CB 0.785 69.646 68.868 -0.012 0.000 0.931 602 T HN 0.567 nan 8.240 nan 0.000 0.531 603 H N 0.000 119.036 119.070 -0.057 0.000 2.539 603 H HA 0.000 4.556 4.556 0.000 0.000 0.296 603 H CA 0.000 56.016 56.048 -0.053 0.000 1.023 603 H CB 0.000 29.742 29.762 -0.034 0.000 1.292 603 H HN 0.000 nan 8.280 nan 0.000 0.496