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 3my0_1_N DATA FIRST_RESID 0 DATA SEQUENCE MXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXQRTVA DATA SEQUENCE RQVALVECVG KGRYGEVWRG LWHGESVAVK IFSSRDEQSW FRETEIYNTV DATA SEQUENCE LLRHDNILGF IASDMTSRNS STQLWLITHY HEHGSLYDFL QRQTLEPHLA DATA SEQUENCE LRLAVSAACG LAHLHVEIFG TQGKPAIAHR DFKSRNVLVK SNLQCCIADL DATA SEQUENCE GLAVMHSQGS DYLDIGNNPR VGTKRYMAPE VLDEQIRTDC FESYKWTDIW DATA SEQUENCE AFGLVLWEIA RRTIVNGIVE DYRPPFYDVV PNDPSFEDMK KVVCVDQQTP DATA SEQUENCE TIPNRLAADP VLSGLAQMMR ECWYPNPSAR LTALRIKKTL QKIS 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.321 176.300 0.035 0.000 1.140 0 M CA 0.000 55.336 55.300 0.060 0.000 0.988 0 M CB 0.000 32.656 32.600 0.093 0.000 1.302 196 R N 1.305 121.799 120.500 -0.011 0.000 2.148 196 R HA -0.184 4.156 4.340 0.000 0.000 0.230 196 R C 2.793 179.076 176.300 -0.029 0.000 1.120 196 R CA 4.108 60.198 56.100 -0.017 0.000 0.902 196 R CB -2.483 27.816 30.300 -0.002 0.000 0.839 196 R HN 1.371 nan 8.270 nan 0.000 0.431 197 T N -0.908 113.649 114.554 0.005 0.000 2.802 197 T HA -0.191 4.159 4.350 0.000 0.000 0.269 197 T C 2.065 176.778 174.700 0.022 0.000 1.062 197 T CA 1.915 64.035 62.100 0.034 0.000 1.133 197 T CB -0.960 67.962 68.868 0.089 0.000 0.852 197 T HN 0.301 nan 8.240 nan 0.000 0.485 198 V N 2.536 122.411 119.914 -0.065 0.000 2.252 198 V HA -0.193 3.927 4.120 0.000 0.000 0.249 198 V C 3.256 179.170 176.094 -0.299 0.000 1.056 198 V CA 1.960 64.054 62.300 -0.343 0.000 1.022 198 V CB -1.590 29.893 31.823 -0.566 0.000 0.641 198 V HN 0.724 nan 8.190 nan 0.000 0.445 199 A N -0.112 122.611 122.820 -0.162 0.000 2.014 199 A HA -0.088 4.232 4.320 0.000 0.000 0.218 199 A C 2.483 180.042 177.584 -0.042 0.000 1.163 199 A CA 1.954 53.958 52.037 -0.055 0.000 0.652 199 A CB -0.594 18.372 19.000 -0.057 0.000 0.808 199 A HN 0.547 nan 8.150 nan 0.000 0.449 200 R N -0.262 120.201 120.500 -0.062 0.000 2.115 200 R HA -0.031 4.309 4.340 0.000 0.000 0.226 200 R C 1.952 178.260 176.300 0.014 0.000 1.100 200 R CA 1.664 57.736 56.100 -0.046 0.000 0.980 200 R CB -1.048 29.229 30.300 -0.037 0.000 0.875 200 R HN 0.774 nan 8.270 nan 0.000 0.445 201 Q N -0.241 119.591 119.800 0.052 0.000 2.331 201 Q HA 0.169 4.509 4.340 0.000 0.000 0.203 201 Q C 0.371 176.445 176.000 0.124 0.000 0.944 201 Q CA 0.191 56.060 55.803 0.110 0.000 0.892 201 Q CB 0.419 29.302 28.738 0.242 0.000 0.983 201 Q HN 0.369 nan 8.270 nan 0.000 0.482 202 V N 1.937 121.908 119.914 0.095 0.000 2.540 202 V HA 0.100 4.220 4.120 0.000 0.000 0.297 202 V C 0.132 176.281 176.094 0.092 0.000 1.024 202 V CA -0.108 62.254 62.300 0.103 0.000 1.105 202 V CB 0.476 32.335 31.823 0.059 0.000 0.938 202 V HN 0.209 nan 8.190 nan 0.000 0.482 203 A N 6.758 129.615 122.820 0.061 0.000 2.292 203 A HA 0.738 5.058 4.320 0.000 0.000 0.319 203 A C -0.500 177.079 177.584 -0.008 0.000 1.206 203 A CA -0.644 51.407 52.037 0.024 0.000 0.835 203 A CB 0.507 19.518 19.000 0.018 0.000 1.164 203 A HN 0.806 nan 8.150 nan 0.000 0.505 204 L N 3.512 124.700 121.223 -0.058 0.000 2.305 204 L HA 0.316 4.656 4.340 0.000 0.000 0.281 204 L C 0.584 177.484 176.870 0.049 0.000 1.085 204 L CA -0.452 54.338 54.840 -0.084 0.000 0.813 204 L CB 1.360 43.177 42.059 -0.403 0.000 1.157 204 L HN 0.618 nan 8.230 nan 0.000 0.436 205 V N 1.444 121.449 119.914 0.151 0.000 2.854 205 V HA 0.129 4.249 4.120 0.000 0.000 0.236 205 V C 0.293 176.522 176.094 0.225 0.000 1.157 205 V CA 0.313 62.697 62.300 0.140 0.000 1.187 205 V CB 0.514 32.365 31.823 0.046 0.000 0.949 205 V HN 0.841 nan 8.190 nan 0.000 0.488 206 E N -0.632 119.695 120.200 0.212 0.000 2.275 206 E HA 0.299 4.649 4.350 0.000 0.000 0.270 206 E C -1.440 175.016 176.600 -0.241 0.000 0.882 206 E CA -0.553 55.858 56.400 0.017 0.000 0.758 206 E CB 2.057 31.742 29.700 -0.025 0.000 1.195 206 E HN 0.283 nan 8.360 nan 0.000 0.419 207 C N 5.519 124.349 119.300 -0.784 0.000 2.349 207 C HA 0.348 4.808 4.460 0.000 0.000 0.348 207 C C 1.259 175.947 174.990 -0.503 0.000 1.223 207 C CA -0.142 58.169 59.018 -1.178 0.000 1.746 207 C CB -0.884 25.943 27.740 -1.522 0.000 2.360 207 C HN 0.620 nan 8.230 nan 0.000 0.533 208 V N 4.153 123.880 119.914 -0.312 0.000 3.578 208 V HA 0.586 4.706 4.120 0.000 0.000 0.290 208 V C 0.724 176.779 176.094 -0.065 0.000 1.376 208 V CA 0.661 62.899 62.300 -0.103 0.000 1.083 208 V CB -0.473 31.384 31.823 0.057 0.000 0.911 208 V HN 1.068 nan 8.190 nan 0.000 0.433 209 G N -0.725 108.008 108.800 -0.112 0.000 2.702 209 G HA2 0.728 4.688 3.960 0.000 0.000 0.296 209 G HA3 0.728 4.688 3.960 0.000 0.000 0.296 209 G C -1.281 173.588 174.900 -0.052 0.000 1.463 209 G CA 0.036 45.129 45.100 -0.011 0.000 0.890 209 G HN 0.665 nan 8.290 nan 0.000 0.534 210 K N -0.697 119.665 120.400 -0.063 0.000 2.542 210 K HA 1.007 5.328 4.320 0.000 0.000 0.259 210 K C -0.011 176.393 176.600 -0.325 0.000 0.932 210 K CA 0.067 56.230 56.287 -0.206 0.000 0.820 210 K CB 1.783 34.188 32.500 -0.158 0.000 1.345 210 K HN 2.503 nan 8.250 nan 0.000 0.432 211 G N -1.123 107.306 108.800 -0.619 0.000 2.427 211 G HA2 0.557 4.517 3.960 0.000 0.000 0.306 211 G HA3 0.557 4.517 3.960 0.000 0.000 0.306 211 G C 0.663 175.232 174.900 -0.552 0.000 1.280 211 G CA 0.948 45.694 45.100 -0.590 0.000 0.837 211 G HN 1.323 nan 8.290 nan 0.000 0.482 212 R N -1.251 119.064 120.500 -0.307 0.000 2.189 212 R HA 0.088 4.428 4.340 0.000 0.000 0.218 212 R C 2.225 178.480 176.300 -0.075 0.000 1.074 212 R CA 2.482 58.509 56.100 -0.122 0.000 0.991 212 R CB -1.656 28.645 30.300 0.001 0.000 0.883 212 R HN 1.128 nan 8.270 nan 0.000 0.457 213 Y N -2.005 118.304 120.300 0.015 0.000 2.439 213 Y HA 0.345 4.895 4.550 0.000 0.000 0.292 213 Y C 1.230 177.108 175.900 -0.037 0.000 1.130 213 Y CA -0.125 57.976 58.100 0.003 0.000 1.254 213 Y CB -0.226 38.203 38.460 -0.051 0.000 1.000 213 Y HN 0.522 nan 8.280 nan 0.000 0.554 214 G N -0.177 108.423 108.800 -0.334 0.000 2.204 214 G HA2 0.035 3.995 3.960 0.000 0.000 0.153 214 G HA3 0.035 3.995 3.960 0.000 0.000 0.153 214 G C -1.389 173.347 174.900 -0.272 0.000 1.295 214 G CA -0.401 44.611 45.100 -0.147 0.000 1.257 214 G HN 0.312 nan 8.290 nan 0.000 0.495 215 E N -1.217 118.993 120.200 0.017 0.000 2.356 215 E HA 0.577 4.927 4.350 0.000 0.000 0.275 215 E C -1.340 175.377 176.600 0.195 0.000 0.904 215 E CA -0.813 55.636 56.400 0.081 0.000 0.757 215 E CB 3.162 32.951 29.700 0.147 0.000 1.232 215 E HN 0.427 nan 8.360 nan 0.000 0.442 216 V N 1.982 121.979 119.914 0.138 0.000 2.495 216 V HA 0.448 4.568 4.120 0.000 0.000 0.298 216 V C -1.164 174.937 176.094 0.012 0.000 1.031 216 V CA -0.667 61.703 62.300 0.118 0.000 0.871 216 V CB 0.901 32.782 31.823 0.095 0.000 0.988 216 V HN 0.597 nan 8.190 nan 0.000 0.432 217 W N 2.863 124.124 121.300 -0.065 0.000 2.761 217 W HA 0.647 5.308 4.660 0.000 0.000 0.340 217 W C 0.192 176.647 176.519 -0.105 0.000 1.072 217 W CA -0.732 56.558 57.345 -0.092 0.000 1.215 217 W CB 1.418 30.771 29.460 -0.177 0.000 1.420 217 W HN 0.346 nan 8.180 nan 0.000 0.519 218 R N 1.467 121.995 120.500 0.047 0.000 2.308 218 R HA 0.626 4.966 4.340 0.000 0.000 0.305 218 R C 0.064 176.296 176.300 -0.113 0.000 1.053 218 R CA -0.105 55.836 56.100 -0.265 0.000 0.957 218 R CB 0.361 30.355 30.300 -0.509 0.000 1.022 218 R HN 0.740 nan 8.270 nan 0.000 0.461 219 G N 3.671 112.376 108.800 -0.158 0.000 2.574 219 G HA2 0.489 4.449 3.960 0.000 0.000 0.299 219 G HA3 0.489 4.449 3.960 0.000 0.000 0.299 219 G C -1.251 173.627 174.900 -0.037 0.000 1.298 219 G CA -0.732 44.330 45.100 -0.063 0.000 0.952 219 G HN 0.434 nan 8.290 nan 0.000 0.477 220 L N 0.661 121.894 121.223 0.017 0.000 2.296 220 L HA 0.521 4.861 4.340 0.000 0.000 0.286 220 L C -1.278 175.693 176.870 0.168 0.000 1.023 220 L CA -0.737 54.138 54.840 0.060 0.000 0.812 220 L CB 2.035 44.108 42.059 0.023 0.000 1.223 220 L HN 0.633 nan 8.230 nan 0.000 0.421 221 W N 4.423 125.710 121.300 -0.021 0.000 2.647 221 W HA 0.363 5.023 4.660 0.000 0.000 0.328 221 W C 0.166 176.718 176.519 0.054 0.000 1.018 221 W CA -0.523 56.822 57.345 -0.000 0.000 1.245 221 W CB 0.336 29.817 29.460 0.035 0.000 1.356 221 W HN 0.498 nan 8.180 nan 0.000 0.443 222 H N 4.550 123.512 119.070 -0.181 0.000 2.415 222 H HA -0.206 4.350 4.556 0.000 0.000 0.323 222 H C 1.456 176.657 175.328 -0.212 0.000 1.035 222 H CA 2.267 58.134 56.048 -0.301 0.000 1.098 222 H CB -0.916 28.490 29.762 -0.595 0.000 1.575 222 H HN 1.218 nan 8.280 nan 0.000 0.387 223 G N 0.149 108.928 108.800 -0.036 0.000 2.458 223 G HA2 -0.323 3.637 3.960 0.000 0.000 0.237 223 G HA3 -0.323 3.637 3.960 0.000 0.000 0.237 223 G C 0.387 175.282 174.900 -0.009 0.000 1.113 223 G CA 0.672 45.759 45.100 -0.022 0.000 0.655 223 G HN 0.548 nan 8.290 nan 0.000 0.513 224 E N 0.765 120.961 120.200 -0.006 0.000 2.314 224 E HA 0.596 4.946 4.350 0.000 0.000 0.262 224 E C -0.201 176.442 176.600 0.073 0.000 1.093 224 E CA -0.112 56.304 56.400 0.026 0.000 0.908 224 E CB 1.063 30.774 29.700 0.017 0.000 1.091 224 E HN 0.191 nan 8.360 nan 0.000 0.425 225 S N 0.769 116.506 115.700 0.062 0.000 2.508 225 S HA 0.406 4.877 4.470 0.000 0.000 0.284 225 S C -0.529 174.124 174.600 0.088 0.000 1.192 225 S CA -0.812 57.401 58.200 0.022 0.000 1.070 225 S CB 0.943 64.137 63.200 -0.009 0.000 1.004 225 S HN 0.374 nan 8.310 nan 0.000 0.493 226 V N -0.000 119.938 119.914 0.040 0.000 3.040 226 V HA 1.006 5.126 4.120 0.000 0.000 0.312 226 V C -0.335 175.785 176.094 0.044 0.000 1.115 226 V CA -1.394 60.964 62.300 0.097 0.000 0.998 226 V CB 1.431 33.312 31.823 0.095 0.000 1.042 226 V HN 0.885 nan 8.190 nan 0.000 0.433 227 A N 2.064 124.965 122.820 0.136 0.000 2.290 227 A HA 0.807 5.127 4.320 0.000 0.000 0.310 227 A C -0.482 177.125 177.584 0.038 0.000 1.202 227 A CA -0.592 51.538 52.037 0.156 0.000 0.837 227 A CB 1.160 20.299 19.000 0.232 0.000 1.139 227 A HN 1.402 nan 8.150 nan 0.000 0.509 228 V N 3.698 123.609 119.914 -0.004 0.000 2.304 228 V HA 0.267 4.387 4.120 0.000 0.000 0.278 228 V C 0.210 176.255 176.094 -0.083 0.000 1.018 228 V CA -0.562 61.658 62.300 -0.134 0.000 0.814 228 V CB 1.100 32.669 31.823 -0.424 0.000 1.021 228 V HN 0.895 nan 8.190 nan 0.000 0.440 229 K N 5.789 126.188 120.400 -0.002 0.000 2.284 229 K HA 0.498 4.818 4.320 0.000 0.000 0.287 229 K C -0.646 175.979 176.600 0.040 0.000 1.081 229 K CA -0.403 55.888 56.287 0.007 0.000 0.910 229 K CB 0.488 32.965 32.500 -0.038 0.000 1.088 229 K HN 0.623 nan 8.250 nan 0.000 0.478 230 I N 5.838 126.403 120.570 -0.007 0.000 2.312 230 I HA 0.172 4.342 4.170 0.000 0.000 0.291 230 I C -0.185 176.049 176.117 0.195 0.000 1.031 230 I CA -0.607 60.748 61.300 0.092 0.000 1.293 230 I CB 0.439 38.437 38.000 -0.002 0.000 1.403 230 I HN 0.446 nan 8.210 nan 0.000 0.484 231 F N 3.971 124.030 119.950 0.181 0.000 2.375 231 F HA 0.234 4.761 4.527 0.000 0.000 0.333 231 F C 1.214 177.085 175.800 0.118 0.000 1.104 231 F CA -0.267 57.845 58.000 0.186 0.000 1.149 231 F CB 1.267 40.389 39.000 0.204 0.000 1.190 231 F HN 0.477 nan 8.300 nan 0.000 0.533 232 S N 0.471 116.338 115.700 0.277 0.000 2.617 232 S HA 0.144 4.614 4.470 0.000 0.000 0.269 232 S C 0.862 175.561 174.600 0.165 0.000 1.292 232 S CA -0.643 57.655 58.200 0.164 0.000 1.010 232 S CB 1.400 64.658 63.200 0.096 0.000 0.944 232 S HN 0.616 nan 8.310 nan 0.000 0.536 233 S N 1.356 117.115 115.700 0.098 0.000 2.400 233 S HA -0.088 4.382 4.470 0.000 0.000 0.232 233 S C 2.416 177.064 174.600 0.080 0.000 1.025 233 S CA 1.372 59.613 58.200 0.069 0.000 0.993 233 S CB -0.789 62.434 63.200 0.039 0.000 0.808 233 S HN 0.910 nan 8.310 nan 0.000 0.478 234 R N 0.925 121.478 120.500 0.089 0.000 2.316 234 R HA 0.095 4.435 4.340 0.000 0.000 0.202 234 R C 1.197 177.576 176.300 0.132 0.000 1.029 234 R CA 1.398 57.552 56.100 0.090 0.000 1.018 234 R CB -0.712 29.633 30.300 0.075 0.000 0.888 234 R HN 0.352 nan 8.270 nan 0.000 0.471 235 D N -1.112 119.403 120.400 0.192 0.000 2.599 235 D HA 0.111 4.752 4.640 0.000 0.000 0.249 235 D C 0.809 177.292 176.300 0.306 0.000 1.313 235 D CA -0.190 53.976 54.000 0.277 0.000 0.815 235 D CB 0.175 41.201 40.800 0.378 0.000 1.077 235 D HN 0.560 nan 8.370 nan 0.000 0.492 236 E N -0.205 120.112 120.200 0.194 0.000 2.171 236 E HA -0.266 4.085 4.350 0.000 0.000 0.197 236 E C 1.410 178.130 176.600 0.201 0.000 0.997 236 E CA 0.896 57.378 56.400 0.138 0.000 0.810 236 E CB 0.190 29.922 29.700 0.054 0.000 0.738 236 E HN 0.239 nan 8.360 nan 0.000 0.467 237 Q N -0.011 119.894 119.800 0.175 0.000 2.297 237 Q HA -0.047 4.293 4.340 0.000 0.000 0.204 237 Q C 1.915 178.042 176.000 0.211 0.000 0.962 237 Q CA 0.980 56.895 55.803 0.187 0.000 0.879 237 Q CB 0.191 29.002 28.738 0.120 0.000 0.947 237 Q HN 0.023 nan 8.270 nan 0.000 0.462 238 S N -0.801 115.026 115.700 0.212 0.000 2.387 238 S HA -0.120 4.350 4.470 0.000 0.000 0.226 238 S C 1.076 175.727 174.600 0.085 0.000 1.026 238 S CA 0.838 59.168 58.200 0.216 0.000 0.972 238 S CB -0.401 63.038 63.200 0.399 0.000 0.814 238 S HN 0.671 nan 8.310 nan 0.000 0.477 239 W N 1.420 122.457 121.300 -0.439 0.000 2.363 239 W HA -0.143 4.517 4.660 0.000 0.000 0.296 239 W C 1.724 178.114 176.519 -0.216 0.000 1.212 239 W CA 1.012 57.879 57.345 -0.796 0.000 1.260 239 W CB -0.443 28.333 29.460 -1.140 0.000 1.131 239 W HN 0.265 nan 8.180 nan 0.000 0.530 240 F N 1.689 121.579 119.950 -0.101 0.000 2.084 240 F HA -0.132 4.395 4.527 0.000 0.000 0.296 240 F C 2.663 178.277 175.800 -0.310 0.000 1.111 240 F CA 2.441 60.280 58.000 -0.268 0.000 1.224 240 F CB -0.955 38.063 39.000 0.030 0.000 0.991 240 F HN -0.202 nan 8.300 nan 0.000 0.471 241 R N 0.908 121.333 120.500 -0.125 0.000 2.091 241 R HA -0.196 4.144 4.340 0.000 0.000 0.238 241 R C 2.224 178.338 176.300 -0.310 0.000 1.136 241 R CA 2.146 58.118 56.100 -0.214 0.000 0.959 241 R CB -0.903 29.358 30.300 -0.065 0.000 0.856 241 R HN 0.497 nan 8.270 nan 0.000 0.437 242 E N -1.400 118.649 120.200 -0.252 0.000 2.106 242 E HA -0.124 4.226 4.350 0.000 0.000 0.192 242 E C 1.364 177.785 176.600 -0.298 0.000 0.984 242 E CA 1.678 57.946 56.400 -0.220 0.000 0.806 242 E CB 0.050 29.758 29.700 0.013 0.000 0.750 242 E HN 0.391 nan 8.360 nan 0.000 0.458 243 T N 0.189 114.434 114.554 -0.514 0.000 2.777 243 T HA -0.162 4.188 4.350 0.000 0.000 0.266 243 T C 1.997 176.369 174.700 -0.547 0.000 1.040 243 T CA 1.624 63.367 62.100 -0.594 0.000 1.141 243 T CB -0.434 67.832 68.868 -1.004 0.000 0.868 243 T HN 0.449 nan 8.240 nan 0.000 0.444 244 E N 1.423 121.246 120.200 -0.627 0.000 2.038 244 E HA -0.102 4.248 4.350 0.000 0.000 0.195 244 E C 2.048 178.414 176.600 -0.391 0.000 1.000 244 E CA 1.466 57.549 56.400 -0.529 0.000 0.803 244 E CB -1.030 28.310 29.700 -0.600 0.000 0.750 244 E HN 0.637 nan 8.360 nan 0.000 0.448 245 I N -0.895 119.440 120.570 -0.392 0.000 2.226 245 I HA -0.211 3.960 4.170 0.000 0.000 0.245 245 I C 2.612 178.504 176.117 -0.376 0.000 1.100 245 I CA 1.405 62.485 61.300 -0.366 0.000 1.374 245 I CB -0.202 37.549 38.000 -0.414 0.000 1.057 245 I HN 0.293 nan 8.210 nan 0.000 0.413 246 Y N 0.826 120.836 120.300 -0.484 0.000 2.314 246 Y HA -0.147 4.403 4.550 0.000 0.000 0.293 246 Y C 2.180 177.707 175.900 -0.622 0.000 1.129 246 Y CA 1.355 59.051 58.100 -0.673 0.000 1.201 246 Y CB -0.665 37.007 38.460 -1.313 0.000 0.999 246 Y HN 0.240 nan 8.280 nan 0.000 0.541 247 N N -1.921 116.559 118.700 -0.367 0.000 2.446 247 N HA -0.065 4.675 4.740 0.000 0.000 0.179 247 N C 1.316 176.742 175.510 -0.140 0.000 1.054 247 N CA 1.205 54.128 53.050 -0.212 0.000 0.905 247 N CB 0.154 38.532 38.487 -0.182 0.000 0.973 247 N HN 0.114 nan 8.380 nan 0.000 0.448 248 T N -0.571 113.883 114.554 -0.166 0.000 2.999 248 T HA 0.198 4.548 4.350 0.000 0.000 0.247 248 T C 0.325 174.960 174.700 -0.109 0.000 1.012 248 T CA 0.146 62.166 62.100 -0.133 0.000 1.048 248 T CB 0.764 69.533 68.868 -0.164 0.000 1.020 248 T HN -0.187 nan 8.240 nan 0.000 0.478 249 V N 2.969 122.810 119.914 -0.122 0.000 2.435 249 V HA 0.421 4.541 4.120 0.000 0.000 0.290 249 V C -0.326 175.741 176.094 -0.045 0.000 1.030 249 V CA -0.862 61.379 62.300 -0.099 0.000 0.881 249 V CB 1.525 33.265 31.823 -0.137 0.000 0.983 249 V HN 0.323 nan 8.190 nan 0.000 0.445 250 L N 5.644 126.857 121.223 -0.017 0.000 2.462 250 L HA 0.193 4.533 4.340 0.000 0.000 0.283 250 L C 0.720 177.638 176.870 0.079 0.000 1.166 250 L CA 0.334 55.195 54.840 0.034 0.000 0.964 250 L CB -0.011 42.068 42.059 0.033 0.000 1.294 250 L HN 0.583 nan 8.230 nan 0.000 0.449 251 L N 2.068 123.363 121.223 0.120 0.000 2.817 251 L HA 0.259 4.599 4.340 0.000 0.000 0.248 251 L C 1.267 178.305 176.870 0.280 0.000 1.133 251 L CA -0.012 54.949 54.840 0.201 0.000 0.935 251 L CB 0.067 42.190 42.059 0.106 0.000 1.266 251 L HN 0.502 nan 8.230 nan 0.000 0.535 252 R N 0.808 121.435 120.500 0.211 0.000 2.523 252 R HA -0.039 4.301 4.340 0.000 0.000 0.281 252 R C -0.872 175.526 176.300 0.162 0.000 0.969 252 R CA 0.732 56.941 56.100 0.183 0.000 1.093 252 R CB -0.028 30.354 30.300 0.136 0.000 0.917 252 R HN 0.283 nan 8.270 nan 0.000 0.408 253 H N 2.597 121.662 119.070 -0.009 0.000 3.121 253 H HA 0.020 4.576 4.556 0.000 0.000 0.337 253 H C -0.412 174.894 175.328 -0.038 0.000 1.198 253 H CA -0.582 55.379 56.048 -0.145 0.000 1.274 253 H CB 1.545 31.020 29.762 -0.478 0.000 1.954 253 H HN 0.779 nan 8.280 nan 0.000 0.531 254 D N 2.118 122.339 120.400 -0.297 0.000 2.190 254 D HA -0.135 4.505 4.640 0.000 0.000 0.200 254 D C 0.189 176.531 176.300 0.070 0.000 0.992 254 D CA 1.320 55.266 54.000 -0.090 0.000 0.854 254 D CB 0.245 40.942 40.800 -0.171 0.000 0.936 254 D HN 0.470 nan 8.370 nan 0.000 0.462 255 N N -0.299 118.567 118.700 0.276 0.000 2.380 255 N HA 0.270 5.010 4.740 0.000 0.000 0.255 255 N C -0.442 175.203 175.510 0.225 0.000 1.158 255 N CA -0.011 53.187 53.050 0.245 0.000 0.878 255 N CB 1.024 39.666 38.487 0.258 0.000 1.138 255 N HN 0.074 nan 8.380 nan 0.000 0.509 256 I N 0.784 121.494 120.570 0.233 0.000 2.607 256 I HA 0.191 4.361 4.170 0.000 0.000 0.290 256 I C -0.911 175.354 176.117 0.247 0.000 1.129 256 I CA -1.191 60.247 61.300 0.230 0.000 1.042 256 I CB 2.298 40.443 38.000 0.242 0.000 1.242 256 I HN -0.056 nan 8.210 nan 0.000 0.421 257 L N 5.614 126.994 121.223 0.262 0.000 2.559 257 L HA 0.292 4.632 4.340 0.000 0.000 0.274 257 L C 0.724 177.713 176.870 0.198 0.000 1.205 257 L CA 0.551 55.551 54.840 0.266 0.000 0.907 257 L CB 0.385 42.600 42.059 0.260 0.000 1.153 257 L HN 0.680 nan 8.230 nan 0.000 0.490 258 G N 4.905 113.734 108.800 0.047 0.000 2.365 258 G HA2 0.175 4.135 3.960 0.000 0.000 0.249 258 G HA3 0.175 4.135 3.960 0.000 0.000 0.249 258 G C -0.779 173.872 174.900 -0.415 0.000 1.288 258 G CA -0.449 44.474 45.100 -0.295 0.000 0.887 258 G HN 0.662 nan 8.290 nan 0.000 0.524 259 F N 2.720 122.360 119.950 -0.517 0.000 2.404 259 F HA 0.569 5.096 4.527 0.000 0.000 0.339 259 F C 0.801 176.375 175.800 -0.376 0.000 1.105 259 F CA -0.874 56.751 58.000 -0.625 0.000 1.087 259 F CB 1.129 39.597 39.000 -0.888 0.000 1.143 259 F HN 0.306 nan 8.300 nan 0.000 0.491 260 I N 3.339 123.279 120.570 -1.049 0.000 3.570 260 I HA 0.426 4.597 4.170 0.000 0.000 0.270 260 I C 0.285 175.757 176.117 -1.075 0.000 1.162 260 I CA 0.041 60.870 61.300 -0.786 0.000 1.413 260 I CB 0.407 38.120 38.000 -0.478 0.000 1.437 260 I HN 0.638 nan 8.210 nan 0.000 0.457 261 A N -0.163 121.913 122.820 -1.241 0.000 2.610 261 A HA 0.717 5.037 4.320 0.000 0.000 0.291 261 A C -1.163 176.224 177.584 -0.328 0.000 1.086 261 A CA -0.332 51.264 52.037 -0.735 0.000 0.677 261 A CB 1.799 20.568 19.000 -0.384 0.000 1.278 261 A HN -0.036 nan 8.150 nan 0.000 0.414 262 S N 0.121 115.874 115.700 0.090 0.000 2.571 262 S HA 0.696 5.166 4.470 0.000 0.000 0.284 262 S C -1.783 173.007 174.600 0.316 0.000 1.128 262 S CA -0.358 58.033 58.200 0.318 0.000 0.970 262 S CB 1.488 64.869 63.200 0.302 0.000 1.039 262 S HN 0.849 nan 8.310 nan 0.000 0.485 263 D N 2.266 122.917 120.400 0.420 0.000 2.583 263 D HA 0.439 5.079 4.640 0.000 0.000 0.248 263 D C -1.376 175.000 176.300 0.125 0.000 1.209 263 D CA -0.410 53.720 54.000 0.216 0.000 0.848 263 D CB 1.980 42.785 40.800 0.009 0.000 1.431 263 D HN 0.590 nan 8.370 nan 0.000 0.436 264 M N 1.675 121.242 119.600 -0.054 0.000 2.253 264 M HA 0.467 4.947 4.480 0.000 0.000 0.314 264 M C -1.227 174.888 176.300 -0.309 0.000 1.019 264 M CA -0.281 54.890 55.300 -0.216 0.000 0.932 264 M CB 1.655 34.169 32.600 -0.144 0.000 1.606 264 M HN 0.385 nan 8.290 nan 0.000 0.430 265 T N 1.083 115.365 114.554 -0.453 0.000 2.883 265 T HA 0.516 4.866 4.350 0.000 0.000 0.301 265 T C -0.438 174.048 174.700 -0.356 0.000 1.158 265 T CA -0.504 61.292 62.100 -0.506 0.000 1.007 265 T CB 1.758 70.048 68.868 -0.964 0.000 1.186 265 T HN 0.595 nan 8.240 nan 0.000 0.499 266 S N 1.207 116.746 115.700 -0.268 0.000 2.664 266 S HA 0.267 4.737 4.470 0.000 0.000 0.245 266 S C 2.017 176.528 174.600 -0.148 0.000 1.019 266 S CA 0.166 58.264 58.200 -0.169 0.000 0.996 266 S CB 0.282 63.408 63.200 -0.122 0.000 0.878 266 S HN 0.787 nan 8.310 nan 0.000 0.493 267 R N 2.226 122.604 120.500 -0.204 0.000 2.082 267 R HA 0.016 4.356 4.340 0.000 0.000 0.228 267 R C 1.083 177.348 176.300 -0.058 0.000 1.140 267 R CA 1.741 57.762 56.100 -0.132 0.000 0.920 267 R CB -2.034 28.171 30.300 -0.159 0.000 0.828 267 R HN 0.656 nan 8.270 nan 0.000 0.430 268 N N 0.630 119.321 118.700 -0.015 0.000 2.492 268 N HA 0.220 4.960 4.740 0.000 0.000 0.260 268 N C 1.347 176.846 175.510 -0.018 0.000 1.215 268 N CA 0.302 53.354 53.050 0.004 0.000 0.923 268 N CB 0.514 39.030 38.487 0.050 0.000 1.092 268 N HN 0.587 nan 8.380 nan 0.000 0.448 269 S N 0.006 115.698 115.700 -0.013 0.000 2.456 269 S HA -0.157 4.313 4.470 0.000 0.000 0.232 269 S C 1.412 175.994 174.600 -0.030 0.000 1.046 269 S CA 1.751 59.938 58.200 -0.022 0.000 1.175 269 S CB -0.584 62.609 63.200 -0.011 0.000 1.129 269 S HN 1.145 nan 8.310 nan 0.000 0.420 270 S N 1.847 117.536 115.700 -0.018 0.000 2.576 270 S HA 0.259 4.729 4.470 0.000 0.000 0.272 270 S C 0.207 174.781 174.600 -0.044 0.000 1.352 270 S CA -0.313 57.872 58.200 -0.026 0.000 1.021 270 S CB 0.308 63.501 63.200 -0.011 0.000 0.887 270 S HN 0.612 nan 8.310 nan 0.000 0.542 271 T N 0.616 115.132 114.554 -0.064 0.000 2.779 271 T HA 0.413 4.763 4.350 0.000 0.000 0.296 271 T C -0.447 174.195 174.700 -0.097 0.000 0.938 271 T CA -0.670 61.368 62.100 -0.104 0.000 1.119 271 T CB -0.117 68.682 68.868 -0.115 0.000 0.891 271 T HN 0.766 nan 8.240 nan 0.000 0.526 272 Q N 2.525 122.259 119.800 -0.109 0.000 2.399 272 Q HA 0.692 5.032 4.340 0.000 0.000 0.276 272 Q C -1.186 174.738 176.000 -0.128 0.000 1.098 272 Q CA -1.136 54.645 55.803 -0.037 0.000 0.827 272 Q CB 1.770 30.605 28.738 0.162 0.000 1.386 272 Q HN 0.560 nan 8.270 nan 0.000 0.443 273 L N 1.402 122.551 121.223 -0.123 0.000 2.275 273 L HA 0.456 4.796 4.340 0.000 0.000 0.288 273 L C -1.215 175.796 176.870 0.235 0.000 1.046 273 L CA -0.046 54.533 54.840 -0.434 0.000 0.805 273 L CB 0.479 41.806 42.059 -1.219 0.000 1.193 273 L HN 0.489 nan 8.230 nan 0.000 0.426 274 W N 4.676 126.004 121.300 0.048 0.000 2.606 274 W HA 0.631 5.291 4.660 0.000 0.000 0.332 274 W C -0.852 175.987 176.519 0.533 0.000 1.052 274 W CA -1.030 56.489 57.345 0.290 0.000 1.223 274 W CB 1.618 31.159 29.460 0.135 0.000 1.383 274 W HN 0.109 nan 8.180 nan 0.000 0.524 275 L N 4.579 126.229 121.223 0.712 0.000 2.349 275 L HA 0.639 4.979 4.340 0.000 0.000 0.278 275 L C -1.160 175.858 176.870 0.246 0.000 0.996 275 L CA -0.620 54.533 54.840 0.522 0.000 0.825 275 L CB 0.854 43.304 42.059 0.651 0.000 1.243 275 L HN 0.311 nan 8.230 nan 0.000 0.412 276 I N 4.720 125.330 120.570 0.066 0.000 2.377 276 I HA 0.652 4.822 4.170 0.000 0.000 0.293 276 I C 0.285 176.277 176.117 -0.209 0.000 0.987 276 I CA -0.096 61.156 61.300 -0.079 0.000 1.185 276 I CB 1.870 39.782 38.000 -0.147 0.000 1.341 276 I HN 0.797 nan 8.210 nan 0.000 0.455 277 T N 0.390 114.874 114.554 -0.117 0.000 2.804 277 T HA 0.455 4.805 4.350 0.000 0.000 0.290 277 T C -0.272 174.414 174.700 -0.024 0.000 1.099 277 T CA -0.914 61.098 62.100 -0.148 0.000 1.011 277 T CB 0.773 69.605 68.868 -0.060 0.000 1.291 277 T HN 0.496 nan 8.240 nan 0.000 0.523 278 H N -0.539 118.499 119.070 -0.053 0.000 2.929 278 H HA 0.256 4.812 4.556 0.000 0.000 0.358 278 H C -1.053 174.174 175.328 -0.168 0.000 1.111 278 H CA -0.124 55.859 56.048 -0.107 0.000 1.409 278 H CB 0.295 29.957 29.762 -0.167 0.000 1.373 278 H HN 0.540 nan 8.280 nan 0.000 0.610 279 Y N 1.488 121.671 120.300 -0.195 0.000 2.360 279 Y HA 0.237 4.787 4.550 0.000 0.000 0.337 279 Y C -0.866 174.799 175.900 -0.391 0.000 1.039 279 Y CA -0.918 57.058 58.100 -0.208 0.000 1.109 279 Y CB 0.826 39.246 38.460 -0.066 0.000 1.201 279 Y HN 0.629 nan 8.280 nan 0.000 0.458 280 H N 4.303 123.009 119.070 -0.606 0.000 2.646 280 H HA 0.256 4.812 4.556 0.000 0.000 0.328 280 H C 0.488 175.379 175.328 -0.728 0.000 0.998 280 H CA -0.586 55.161 56.048 -0.502 0.000 1.225 280 H CB 1.666 31.266 29.762 -0.270 0.000 1.457 280 H HN 0.794 nan 8.280 nan 0.000 0.505 281 E N 1.600 121.579 120.200 -0.367 0.000 2.077 281 E HA -0.192 4.158 4.350 0.000 0.000 0.193 281 E C 0.802 177.435 176.600 0.057 0.000 0.989 281 E CA 0.989 57.305 56.400 -0.140 0.000 0.800 281 E CB 0.076 29.831 29.700 0.091 0.000 0.746 281 E HN 0.738 nan 8.360 nan 0.000 0.452 282 H N -0.122 118.916 119.070 -0.054 0.000 2.543 282 H HA -0.010 4.546 4.556 0.000 0.000 0.286 282 H C 1.303 176.638 175.328 0.011 0.000 1.037 282 H CA -0.132 55.930 56.048 0.024 0.000 1.250 282 H CB 0.133 29.901 29.762 0.010 0.000 1.373 282 H HN 0.243 nan 8.280 nan 0.000 0.580 283 G N 0.513 109.343 108.800 0.050 0.000 2.553 283 G HA2 -0.324 3.636 3.960 0.000 0.000 0.242 283 G HA3 -0.324 3.636 3.960 0.000 0.000 0.242 283 G C 0.131 175.046 174.900 0.025 0.000 1.277 283 G CA -0.066 45.044 45.100 0.016 0.000 0.910 283 G HN 0.513 nan 8.290 nan 0.000 0.576 284 S N -0.633 115.091 115.700 0.040 0.000 2.624 284 S HA 0.521 4.991 4.470 0.000 0.000 0.263 284 S C 1.480 176.118 174.600 0.064 0.000 1.287 284 S CA 0.289 58.507 58.200 0.030 0.000 0.990 284 S CB 1.563 64.785 63.200 0.036 0.000 0.950 284 S HN 1.756 nan 8.310 nan 0.000 0.561 285 L N 0.570 121.815 121.223 0.036 0.000 2.083 285 L HA -0.023 4.317 4.340 0.000 0.000 0.209 285 L C 2.116 179.039 176.870 0.088 0.000 1.083 285 L CA 1.764 56.645 54.840 0.068 0.000 0.752 285 L CB -1.393 40.680 42.059 0.024 0.000 0.899 285 L HN 0.866 nan 8.230 nan 0.000 0.433 286 Y N 0.554 120.825 120.300 -0.047 0.000 2.081 286 Y HA -0.328 4.222 4.550 0.000 0.000 0.280 286 Y C 2.358 178.122 175.900 -0.226 0.000 1.163 286 Y CA 2.338 60.349 58.100 -0.149 0.000 1.135 286 Y CB -0.349 38.059 38.460 -0.087 0.000 0.970 286 Y HN 0.331 nan 8.280 nan 0.000 0.498 287 D N -0.504 119.917 120.400 0.035 0.000 2.097 287 D HA -0.225 4.415 4.640 0.000 0.000 0.195 287 D C 2.069 178.314 176.300 -0.092 0.000 0.989 287 D CA 1.648 55.628 54.000 -0.033 0.000 0.827 287 D CB -0.774 40.071 40.800 0.075 0.000 0.966 287 D HN 0.404 nan 8.370 nan 0.000 0.456 288 F N 1.556 121.412 119.950 -0.156 0.000 2.102 288 F HA -0.101 4.426 4.527 0.000 0.000 0.298 288 F C 2.263 177.943 175.800 -0.200 0.000 1.105 288 F CA 1.037 58.941 58.000 -0.160 0.000 1.239 288 F CB -0.337 38.607 39.000 -0.094 0.000 0.991 288 F HN -0.140 nan 8.300 nan 0.000 0.474 289 L N -0.272 120.862 121.223 -0.149 0.000 2.275 289 L HA -0.195 4.145 4.340 0.000 0.000 0.215 289 L C 2.360 179.001 176.870 -0.382 0.000 1.119 289 L CA 0.995 55.692 54.840 -0.238 0.000 0.790 289 L CB -0.680 41.316 42.059 -0.104 0.000 0.919 289 L HN 0.242 nan 8.230 nan 0.000 0.443 290 Q N 0.760 120.235 119.800 -0.541 0.000 2.020 290 Q HA -0.197 4.143 4.340 0.000 0.000 0.202 290 Q C 2.295 178.115 176.000 -0.301 0.000 0.982 290 Q CA 1.861 57.373 55.803 -0.485 0.000 0.838 290 Q CB 0.093 28.540 28.738 -0.485 0.000 0.899 290 Q HN 0.489 nan 8.270 nan 0.000 0.423 291 R N -1.821 118.488 120.500 -0.317 0.000 2.156 291 R HA 0.259 4.600 4.340 0.000 0.000 0.207 291 R C 0.844 176.946 176.300 -0.330 0.000 1.040 291 R CA 0.757 56.691 56.100 -0.278 0.000 1.013 291 R CB -0.260 29.888 30.300 -0.253 0.000 0.931 291 R HN 0.133 nan 8.270 nan 0.000 0.465 292 Q N 1.795 121.301 119.800 -0.490 0.000 2.266 292 Q HA 0.453 4.793 4.340 0.000 0.000 0.261 292 Q C -0.263 175.504 176.000 -0.388 0.000 0.985 292 Q CA -0.524 54.957 55.803 -0.536 0.000 0.873 292 Q CB 1.283 29.410 28.738 -1.018 0.000 1.306 292 Q HN 0.419 nan 8.270 nan 0.000 0.447 293 T N -1.041 113.352 114.554 -0.268 0.000 2.943 293 T HA 0.794 5.144 4.350 0.000 0.000 0.284 293 T C -0.146 174.470 174.700 -0.141 0.000 1.015 293 T CA -0.678 61.316 62.100 -0.177 0.000 1.042 293 T CB 0.555 69.345 68.868 -0.131 0.000 1.055 293 T HN 0.603 nan 8.240 nan 0.000 0.500 294 L N 1.698 122.868 121.223 -0.089 0.000 2.325 294 L HA 0.480 4.820 4.340 0.000 0.000 0.281 294 L C 0.563 177.416 176.870 -0.029 0.000 1.004 294 L CA -1.013 53.802 54.840 -0.040 0.000 0.823 294 L CB 1.695 43.747 42.059 -0.011 0.000 1.236 294 L HN 0.782 nan 8.230 nan 0.000 0.415 295 E N 4.666 124.857 120.200 -0.014 0.000 2.398 295 E HA 0.059 4.409 4.350 0.000 0.000 0.263 295 E C -1.788 174.825 176.600 0.022 0.000 1.046 295 E CA -1.380 55.024 56.400 0.007 0.000 0.908 295 E CB 1.558 31.274 29.700 0.026 0.000 0.963 295 E HN 0.318 nan 8.360 nan 0.000 0.431 296 P HA -0.208 nan 4.420 nan 0.000 0.216 296 P C 1.094 178.449 177.300 0.092 0.000 1.154 296 P CA 1.603 64.728 63.100 0.041 0.000 0.865 296 P CB -0.063 31.657 31.700 0.033 0.000 0.789 297 H N -0.187 118.885 119.070 0.003 0.000 2.319 297 H HA -0.158 4.398 4.556 0.000 0.000 0.297 297 H C 1.726 177.064 175.328 0.017 0.000 1.097 297 H CA 1.592 57.645 56.048 0.008 0.000 1.285 297 H CB -1.088 28.679 29.762 0.008 0.000 1.368 297 H HN -0.050 nan 8.280 nan 0.000 0.495 298 L N 0.542 121.682 121.223 -0.138 0.000 2.056 298 L HA 0.093 4.433 4.340 0.000 0.000 0.207 298 L C 2.530 179.370 176.870 -0.049 0.000 1.078 298 L CA 2.048 56.776 54.840 -0.186 0.000 0.749 298 L CB -1.559 40.444 42.059 -0.093 0.000 0.901 298 L HN 0.361 nan 8.230 nan 0.000 0.433 299 A N -0.319 122.500 122.820 -0.002 0.000 1.917 299 A HA -0.250 4.070 4.320 0.000 0.000 0.219 299 A C 2.295 179.889 177.584 0.017 0.000 1.182 299 A CA 2.182 54.225 52.037 0.010 0.000 0.633 299 A CB -1.091 17.909 19.000 -0.000 0.000 0.819 299 A HN 0.531 nan 8.150 nan 0.000 0.448 300 L N -0.513 120.733 121.223 0.038 0.000 2.093 300 L HA -0.058 4.282 4.340 0.000 0.000 0.208 300 L C 2.428 179.331 176.870 0.055 0.000 1.085 300 L CA 2.260 57.134 54.840 0.057 0.000 0.755 300 L CB -0.468 41.644 42.059 0.090 0.000 0.904 300 L HN 0.452 nan 8.230 nan 0.000 0.435 301 R N -0.634 119.885 120.500 0.032 0.000 2.073 301 R HA -0.130 4.210 4.340 0.000 0.000 0.234 301 R C 2.248 178.548 176.300 -0.000 0.000 1.134 301 R CA 1.863 57.969 56.100 0.009 0.000 0.952 301 R CB -0.344 29.909 30.300 -0.079 0.000 0.850 301 R HN 0.442 nan 8.270 nan 0.000 0.433 302 L N 0.084 121.299 121.223 -0.015 0.000 2.056 302 L HA -0.109 4.231 4.340 0.000 0.000 0.207 302 L C 2.723 179.612 176.870 0.032 0.000 1.078 302 L CA 1.281 56.113 54.840 -0.014 0.000 0.749 302 L CB -0.575 41.473 42.059 -0.018 0.000 0.901 302 L HN 0.330 nan 8.230 nan 0.000 0.433 303 A N -0.574 122.273 122.820 0.044 0.000 1.902 303 A HA -0.184 4.136 4.320 0.000 0.000 0.217 303 A C 2.401 180.079 177.584 0.157 0.000 1.181 303 A CA 1.896 53.984 52.037 0.085 0.000 0.623 303 A CB -0.904 18.134 19.000 0.064 0.000 0.818 303 A HN 0.210 nan 8.150 nan 0.000 0.443 304 V N 0.784 120.762 119.914 0.108 0.000 2.358 304 V HA -0.188 3.932 4.120 0.000 0.000 0.246 304 V C 2.855 179.011 176.094 0.104 0.000 1.047 304 V CA 2.872 65.233 62.300 0.101 0.000 1.035 304 V CB -0.458 31.407 31.823 0.071 0.000 0.658 304 V HN 0.799 nan 8.190 nan 0.000 0.452 305 S N 0.663 116.416 115.700 0.089 0.000 2.368 305 S HA -0.057 4.413 4.470 0.000 0.000 0.224 305 S C 2.161 176.837 174.600 0.127 0.000 1.029 305 S CA 1.271 59.522 58.200 0.084 0.000 0.988 305 S CB -0.718 62.505 63.200 0.039 0.000 0.838 305 S HN 0.789 nan 8.310 nan 0.000 0.462 306 A N 2.378 125.299 122.820 0.168 0.000 1.908 306 A HA 0.228 4.548 4.320 0.000 0.000 0.218 306 A C 2.558 180.341 177.584 0.331 0.000 1.181 306 A CA 1.910 54.116 52.037 0.282 0.000 0.627 306 A CB -1.545 17.651 19.000 0.326 0.000 0.818 306 A HN 0.897 nan 8.150 nan 0.000 0.445 307 A N -1.112 121.890 122.820 0.304 0.000 1.933 307 A HA -0.172 4.148 4.320 0.000 0.000 0.218 307 A C 2.296 179.856 177.584 -0.041 0.000 1.175 307 A CA 1.696 53.747 52.037 0.024 0.000 0.628 307 A CB -1.240 17.761 19.000 0.001 0.000 0.814 307 A HN 0.607 nan 8.150 nan 0.000 0.444 308 C N -1.134 118.193 119.300 0.045 0.000 2.432 308 C HA 0.025 4.485 4.460 0.000 0.000 0.277 308 C C 3.033 178.023 174.990 -0.001 0.000 1.249 308 C CA 0.562 59.611 59.018 0.050 0.000 1.725 308 C CB -1.608 26.211 27.740 0.132 0.000 2.028 308 C HN 0.703 nan 8.230 nan 0.000 0.477 309 G N 0.303 109.131 108.800 0.046 0.000 2.491 309 G HA2 -0.257 3.703 3.960 0.000 0.000 0.218 309 G HA3 -0.257 3.703 3.960 0.000 0.000 0.218 309 G C 1.502 176.397 174.900 -0.008 0.000 1.180 309 G CA 1.162 46.279 45.100 0.028 0.000 0.774 309 G HN 0.442 nan 8.290 nan 0.000 0.562 310 L N 1.235 122.419 121.223 -0.065 0.000 2.093 310 L HA 0.229 4.569 4.340 0.000 0.000 0.208 310 L C 3.119 179.771 176.870 -0.362 0.000 1.085 310 L CA 1.874 56.554 54.840 -0.266 0.000 0.755 310 L CB -0.661 41.088 42.059 -0.517 0.000 0.904 310 L HN 0.261 nan 8.230 nan 0.000 0.435 311 A N -1.519 121.146 122.820 -0.258 0.000 1.902 311 A HA -0.296 4.024 4.320 0.000 0.000 0.217 311 A C 2.409 179.946 177.584 -0.078 0.000 1.181 311 A CA 1.821 53.758 52.037 -0.168 0.000 0.623 311 A CB -1.067 17.869 19.000 -0.106 0.000 0.818 311 A HN 0.688 nan 8.150 nan 0.000 0.443 312 H N -0.212 118.743 119.070 -0.192 0.000 2.387 312 H HA -0.035 4.521 4.556 0.000 0.000 0.299 312 H C 1.947 177.206 175.328 -0.115 0.000 1.090 312 H CA 1.648 57.565 56.048 -0.217 0.000 1.332 312 H CB -0.104 29.334 29.762 -0.540 0.000 1.386 312 H HN 0.421 nan 8.280 nan 0.000 0.516 313 L N -0.213 120.950 121.223 -0.100 0.000 2.017 313 L HA -0.214 4.126 4.340 0.000 0.000 0.208 313 L C 2.668 179.582 176.870 0.073 0.000 1.073 313 L CA 1.441 56.265 54.840 -0.026 0.000 0.745 313 L CB -0.650 41.482 42.059 0.123 0.000 0.894 313 L HN 0.451 nan 8.230 nan 0.000 0.432 314 H N -1.724 117.305 119.070 -0.070 0.000 2.389 314 H HA -0.026 4.531 4.556 0.000 0.000 0.299 314 H C 0.735 176.044 175.328 -0.031 0.000 1.081 314 H CA 0.202 56.240 56.048 -0.016 0.000 1.345 314 H CB 0.368 30.097 29.762 -0.056 0.000 1.393 314 H HN 0.041 nan 8.280 nan 0.000 0.520 315 V N 2.319 122.241 119.914 0.014 0.000 2.461 315 V HA 0.013 4.133 4.120 0.000 0.000 0.275 315 V C -0.023 175.957 176.094 -0.189 0.000 1.047 315 V CA -0.291 61.967 62.300 -0.069 0.000 0.955 315 V CB 1.239 33.022 31.823 -0.067 0.000 0.988 315 V HN 0.298 nan 8.190 nan 0.000 0.471 316 E N 5.850 125.891 120.200 -0.265 0.000 2.316 316 E HA 0.318 4.668 4.350 0.000 0.000 0.275 316 E C -0.727 175.511 176.600 -0.603 0.000 1.029 316 E CA -0.347 55.782 56.400 -0.452 0.000 0.871 316 E CB 0.780 30.138 29.700 -0.570 0.000 1.022 316 E HN 0.691 nan 8.360 nan 0.000 0.418 317 I N 4.984 125.266 120.570 -0.480 0.000 2.359 317 I HA 0.245 4.416 4.170 0.000 0.000 0.294 317 I C -0.535 175.323 176.117 -0.431 0.000 0.987 317 I CA -0.699 60.365 61.300 -0.393 0.000 1.225 317 I CB 0.738 38.640 38.000 -0.163 0.000 1.366 317 I HN 0.440 nan 8.210 nan 0.000 0.466 318 F N 3.298 123.224 119.950 -0.039 0.000 2.403 318 F HA 0.799 5.326 4.527 0.000 0.000 0.326 318 F C 0.997 176.780 175.800 -0.029 0.000 1.081 318 F CA -0.370 57.604 58.000 -0.044 0.000 1.041 318 F CB 1.175 40.151 39.000 -0.041 0.000 1.234 318 F HN 0.666 nan 8.300 nan 0.000 0.503 319 G N 0.771 109.669 108.800 0.164 0.000 2.631 319 G HA2 -0.158 3.802 3.960 0.000 0.000 0.504 319 G HA3 -0.158 3.802 3.960 0.000 0.000 0.504 319 G C 0.339 175.265 174.900 0.045 0.000 1.306 319 G CA -0.385 44.766 45.100 0.085 0.000 0.897 319 G HN 0.700 nan 8.290 nan 0.000 0.520 320 T N 0.533 115.106 114.554 0.031 0.000 2.777 320 T HA -0.048 4.302 4.350 0.000 0.000 0.266 320 T C 1.887 176.597 174.700 0.016 0.000 1.040 320 T CA 1.966 64.077 62.100 0.018 0.000 1.141 320 T CB -0.154 68.724 68.868 0.016 0.000 0.868 320 T HN 0.488 nan 8.240 nan 0.000 0.444 321 Q N 1.087 120.900 119.800 0.022 0.000 2.253 321 Q HA 0.267 4.607 4.340 0.000 0.000 0.210 321 Q C 1.133 177.144 176.000 0.018 0.000 0.907 321 Q CA -0.158 55.659 55.803 0.024 0.000 0.948 321 Q CB -0.041 28.717 28.738 0.033 0.000 1.033 321 Q HN 0.519 nan 8.270 nan 0.000 0.471 322 G N 0.755 109.556 108.800 0.001 0.000 2.624 322 G HA2 0.543 4.503 3.960 0.000 0.000 0.217 322 G HA3 0.543 4.503 3.960 0.000 0.000 0.217 322 G C -0.463 174.398 174.900 -0.065 0.000 1.506 322 G CA 0.347 45.426 45.100 -0.033 0.000 1.072 322 G HN 0.322 nan 8.290 nan 0.000 0.568 323 K N -0.632 119.691 120.400 -0.129 0.000 2.675 323 K HA 0.641 4.961 4.320 0.000 0.000 0.280 323 K C -3.243 173.229 176.600 -0.213 0.000 0.993 323 K CA -0.894 55.302 56.287 -0.152 0.000 0.863 323 K CB 0.948 33.349 32.500 -0.166 0.000 1.438 323 K HN 0.584 nan 8.250 nan 0.000 0.389 324 P HA 0.583 nan 4.420 nan 0.000 0.278 324 P C -0.232 176.913 177.300 -0.258 0.000 1.266 324 P CA -0.151 62.797 63.100 -0.253 0.000 0.807 324 P CB 1.236 32.794 31.700 -0.237 0.000 1.094 325 A N 1.582 124.219 122.820 -0.305 0.000 2.450 325 A HA 0.422 4.742 4.320 0.000 0.000 0.255 325 A C 0.188 177.726 177.584 -0.077 0.000 1.096 325 A CA -0.043 51.882 52.037 -0.188 0.000 0.778 325 A CB -0.869 18.016 19.000 -0.191 0.000 1.031 325 A HN 0.430 nan 8.150 nan 0.000 0.494 326 I N 1.648 122.290 120.570 0.120 0.000 2.498 326 I HA 0.548 4.718 4.170 0.000 0.000 0.290 326 I C 0.372 176.633 176.117 0.239 0.000 1.032 326 I CA -0.330 61.066 61.300 0.161 0.000 1.073 326 I CB 2.122 40.132 38.000 0.015 0.000 1.251 326 I HN 0.685 nan 8.210 nan 0.000 0.426 327 A N 4.221 127.153 122.820 0.187 0.000 2.324 327 A HA 0.404 4.724 4.320 0.000 0.000 0.330 327 A C 0.453 178.107 177.584 0.118 0.000 1.165 327 A CA -0.410 51.650 52.037 0.038 0.000 0.813 327 A CB 0.696 19.556 19.000 -0.233 0.000 1.197 327 A HN 0.898 nan 8.150 nan 0.000 0.484 328 H N 1.339 120.494 119.070 0.142 0.000 2.294 328 H HA -0.010 4.546 4.556 0.000 0.000 0.306 328 H C 0.654 176.051 175.328 0.116 0.000 1.065 328 H CA 2.029 58.166 56.048 0.149 0.000 1.343 328 H CB 0.124 30.045 29.762 0.265 0.000 1.396 328 H HN 0.911 nan 8.280 nan 0.000 0.506 329 R N -0.732 119.973 120.500 0.341 0.000 3.840 329 R HA -0.169 4.171 4.340 0.000 0.000 0.464 329 R C -0.553 175.939 176.300 0.320 0.000 0.986 329 R CA 1.162 57.417 56.100 0.259 0.000 1.305 329 R CB -1.369 28.988 30.300 0.094 0.000 1.950 329 R HN 0.323 nan 8.270 nan 0.000 0.526 330 D N -0.400 120.314 120.400 0.524 0.000 3.078 330 D HA 0.131 4.771 4.640 0.000 0.000 0.363 330 D C -1.226 175.215 176.300 0.236 0.000 1.391 330 D CA -0.388 53.833 54.000 0.368 0.000 0.754 330 D CB 0.054 41.014 40.800 0.267 0.000 1.238 330 D HN 0.068 nan 8.370 nan 0.000 0.500 331 F N 2.678 122.640 119.950 0.019 0.000 2.471 331 F HA 0.307 4.834 4.527 0.000 0.000 0.365 331 F C 0.426 176.103 175.800 -0.205 0.000 1.095 331 F CA 0.290 58.144 58.000 -0.243 0.000 1.174 331 F CB 0.157 39.107 39.000 -0.083 0.000 1.105 331 F HN -0.007 nan 8.300 nan 0.000 0.535 332 K N 1.695 121.613 120.400 -0.802 0.000 2.578 332 K HA 0.346 4.666 4.320 0.000 0.000 0.287 332 K C 0.085 176.318 176.600 -0.611 0.000 1.010 332 K CA -0.262 55.525 56.287 -0.833 0.000 0.889 332 K CB 1.119 32.936 32.500 -1.138 0.000 1.514 332 K HN 0.346 nan 8.250 nan 0.000 0.424 333 S N 0.142 115.686 115.700 -0.261 0.000 2.423 333 S HA -0.101 4.369 4.470 0.000 0.000 0.231 333 S C 1.550 176.103 174.600 -0.078 0.000 1.014 333 S CA 0.511 58.669 58.200 -0.071 0.000 0.965 333 S CB -0.417 62.911 63.200 0.214 0.000 0.785 333 S HN 0.590 nan 8.310 nan 0.000 0.495 334 R N 1.313 121.739 120.500 -0.123 0.000 2.235 334 R HA 0.179 4.519 4.340 0.000 0.000 0.213 334 R C 0.533 176.730 176.300 -0.172 0.000 1.059 334 R CA 0.705 56.724 56.100 -0.134 0.000 0.997 334 R CB -0.228 29.945 30.300 -0.211 0.000 0.884 334 R HN 0.379 nan 8.270 nan 0.000 0.462 335 N N 0.057 118.607 118.700 -0.249 0.000 2.251 335 N HA 0.085 4.826 4.740 0.000 0.000 0.217 335 N C -0.987 174.389 175.510 -0.222 0.000 1.124 335 N CA 0.184 53.108 53.050 -0.210 0.000 0.843 335 N CB 1.240 39.612 38.487 -0.192 0.000 1.024 335 N HN -0.127 nan 8.380 nan 0.000 0.501 336 V N 1.542 121.322 119.914 -0.223 0.000 2.487 336 V HA 0.437 4.557 4.120 0.000 0.000 0.298 336 V C 0.024 176.060 176.094 -0.096 0.000 1.028 336 V CA -0.764 61.439 62.300 -0.161 0.000 0.860 336 V CB 2.304 34.003 31.823 -0.207 0.000 0.991 336 V HN -0.024 nan 8.190 nan 0.000 0.427 337 L N 4.360 125.534 121.223 -0.082 0.000 2.360 337 L HA 0.647 4.987 4.340 0.000 0.000 0.271 337 L C -0.415 176.335 176.870 -0.200 0.000 1.057 337 L CA -0.737 54.039 54.840 -0.107 0.000 0.803 337 L CB 1.969 43.988 42.059 -0.066 0.000 1.207 337 L HN 0.355 nan 8.230 nan 0.000 0.445 338 V N 2.116 121.892 119.914 -0.229 0.000 2.370 338 V HA 0.319 4.439 4.120 0.000 0.000 0.283 338 V C 0.090 175.943 176.094 -0.401 0.000 1.023 338 V CA -0.890 61.206 62.300 -0.340 0.000 0.857 338 V CB 1.322 32.844 31.823 -0.501 0.000 0.985 338 V HN 0.647 nan 8.190 nan 0.000 0.443 339 K N 2.302 122.432 120.400 -0.450 0.000 2.117 339 K HA 0.344 4.665 4.320 0.000 0.000 0.240 339 K C 1.344 177.707 176.600 -0.395 0.000 1.031 339 K CA -0.321 55.709 56.287 -0.428 0.000 0.909 339 K CB 0.513 32.798 32.500 -0.358 0.000 1.097 339 K HN 0.578 nan 8.250 nan 0.000 0.492 340 S N 1.245 116.766 115.700 -0.299 0.000 2.374 340 S HA -0.180 4.290 4.470 0.000 0.000 0.227 340 S C 1.156 175.649 174.600 -0.178 0.000 1.037 340 S CA 1.974 60.005 58.200 -0.281 0.000 1.024 340 S CB -0.494 62.623 63.200 -0.139 0.000 0.861 340 S HN 0.693 nan 8.310 nan 0.000 0.456 341 N N 1.907 120.525 118.700 -0.137 0.000 2.421 341 N HA 0.117 4.857 4.740 0.000 0.000 0.201 341 N C 0.131 175.576 175.510 -0.108 0.000 1.198 341 N CA 0.025 53.021 53.050 -0.091 0.000 0.838 341 N CB -1.023 37.424 38.487 -0.065 0.000 1.011 341 N HN 0.375 nan 8.380 nan 0.000 0.463 342 L N -2.001 119.126 121.223 -0.160 0.000 3.737 342 L HA -0.301 4.039 4.340 0.000 0.000 0.418 342 L C -0.263 176.498 176.870 -0.181 0.000 1.216 342 L CA 0.678 55.401 54.840 -0.195 0.000 0.915 342 L CB -1.881 40.109 42.059 -0.114 0.000 1.834 342 L HN 0.511 nan 8.230 nan 0.000 0.943 343 Q N -0.900 118.797 119.800 -0.172 0.000 2.301 343 Q HA 0.523 4.863 4.340 0.000 0.000 0.267 343 Q C -0.251 175.650 176.000 -0.165 0.000 1.035 343 Q CA -0.704 55.021 55.803 -0.130 0.000 0.856 343 Q CB 2.530 31.219 28.738 -0.082 0.000 1.337 343 Q HN 0.377 nan 8.270 nan 0.000 0.450 344 C N 1.070 120.307 119.300 -0.105 0.000 2.443 344 C HA 0.668 5.128 4.460 0.000 0.000 0.369 344 C C 0.228 175.181 174.990 -0.062 0.000 1.241 344 C CA -0.803 58.156 59.018 -0.099 0.000 2.413 344 C CB -0.317 27.409 27.740 -0.024 0.000 2.451 344 C HN 0.901 nan 8.230 nan 0.000 0.595 345 C N 1.144 120.402 119.300 -0.071 0.000 2.783 345 C HA 0.711 5.171 4.460 0.000 0.000 0.312 345 C C -0.693 174.335 174.990 0.063 0.000 1.182 345 C CA -0.940 58.092 59.018 0.023 0.000 1.432 345 C CB -0.671 27.081 27.740 0.021 0.000 1.933 345 C HN 0.818 nan 8.230 nan 0.000 0.473 346 I N 2.970 123.622 120.570 0.137 0.000 2.575 346 I HA 0.558 4.728 4.170 0.000 0.000 0.285 346 I C 0.852 177.084 176.117 0.191 0.000 1.085 346 I CA 0.400 61.796 61.300 0.160 0.000 1.403 346 I CB 1.079 39.236 38.000 0.262 0.000 1.409 346 I HN 1.040 nan 8.210 nan 0.000 0.557 347 A N 3.886 126.811 122.820 0.175 0.000 2.437 347 A HA 0.610 4.930 4.320 0.000 0.000 0.288 347 A C -0.551 177.196 177.584 0.272 0.000 1.201 347 A CA -0.417 51.745 52.037 0.208 0.000 0.795 347 A CB 1.157 20.235 19.000 0.131 0.000 1.359 347 A HN 0.767 nan 8.150 nan 0.000 0.435 348 D N -1.648 118.868 120.400 0.193 0.000 3.729 348 D HA -0.105 4.535 4.640 0.000 0.000 0.242 348 D C -0.626 175.646 176.300 -0.045 0.000 1.091 348 D CA 0.367 54.441 54.000 0.123 0.000 1.096 348 D CB -0.981 39.881 40.800 0.103 0.000 0.901 348 D HN 0.311 nan 8.370 nan 0.000 0.416 349 L N 2.273 123.437 121.223 -0.099 0.000 2.653 349 L HA 0.369 4.709 4.340 0.000 0.000 0.232 349 L C 2.486 179.237 176.870 -0.200 0.000 1.169 349 L CA 0.882 55.552 54.840 -0.283 0.000 0.951 349 L CB 0.163 42.005 42.059 -0.362 0.000 1.181 349 L HN 0.519 nan 8.230 nan 0.000 0.460 350 G N -0.605 108.154 108.800 -0.068 0.000 2.462 350 G HA2 -0.189 3.772 3.960 0.000 0.000 0.220 350 G HA3 -0.189 3.772 3.960 0.000 0.000 0.220 350 G C 1.328 176.218 174.900 -0.017 0.000 1.121 350 G CA 0.480 45.591 45.100 0.017 0.000 0.758 350 G HN 0.381 nan 8.290 nan 0.000 0.559 351 L N 0.492 121.678 121.223 -0.063 0.000 2.857 351 L HA 0.424 4.764 4.340 0.000 0.000 0.249 351 L C 1.436 178.240 176.870 -0.111 0.000 1.172 351 L CA -0.575 54.234 54.840 -0.051 0.000 0.980 351 L CB 0.273 42.332 42.059 0.001 0.000 1.299 351 L HN 0.217 nan 8.230 nan 0.000 0.535 352 A N 0.824 123.549 122.820 -0.159 0.000 2.425 352 A HA 0.418 4.738 4.320 0.000 0.000 0.242 352 A C -0.058 177.448 177.584 -0.130 0.000 1.077 352 A CA -0.037 51.906 52.037 -0.156 0.000 0.781 352 A CB 0.434 19.323 19.000 -0.186 0.000 1.020 352 A HN 0.106 nan 8.150 nan 0.000 0.494 353 V N -0.053 119.801 119.914 -0.100 0.000 2.914 353 V HA 0.859 4.980 4.120 0.000 0.000 0.314 353 V C -0.397 175.751 176.094 0.089 0.000 1.084 353 V CA -0.999 61.258 62.300 -0.071 0.000 0.963 353 V CB 1.721 33.405 31.823 -0.233 0.000 1.025 353 V HN 0.877 nan 8.190 nan 0.000 0.432 354 M N 3.642 123.252 119.600 0.017 0.000 2.518 354 M HA 0.618 5.098 4.480 0.000 0.000 0.300 354 M C -1.105 175.040 176.300 -0.259 0.000 1.175 354 M CA -0.412 54.818 55.300 -0.117 0.000 0.890 354 M CB 2.407 34.923 32.600 -0.140 0.000 1.710 354 M HN 1.050 nan 8.290 nan 0.000 0.453 355 H N 0.338 118.953 119.070 -0.758 0.000 2.894 355 H HA 0.554 5.110 4.556 0.000 0.000 0.367 355 H C -1.837 173.183 175.328 -0.515 0.000 1.144 355 H CA -0.385 55.237 56.048 -0.710 0.000 1.180 355 H CB 2.105 31.172 29.762 -1.159 0.000 1.758 355 H HN 0.718 nan 8.280 nan 0.000 0.541 356 S N 2.964 118.169 115.700 -0.826 0.000 2.482 356 S HA 0.094 4.564 4.470 0.000 0.000 0.303 356 S C -0.436 173.722 174.600 -0.737 0.000 1.091 356 S CA -0.684 57.154 58.200 -0.603 0.000 1.057 356 S CB 2.005 65.020 63.200 -0.309 0.000 1.031 356 S HN 0.640 nan 8.310 nan 0.000 0.485 357 Q N 1.332 120.924 119.800 -0.346 0.000 2.247 357 Q HA 0.402 4.742 4.340 0.000 0.000 0.288 357 Q C 0.830 176.768 176.000 -0.102 0.000 1.079 357 Q CA 1.256 56.984 55.803 -0.126 0.000 0.932 357 Q CB -0.140 28.703 28.738 0.175 0.000 1.133 357 Q HN 0.968 nan 8.270 nan 0.000 0.377 358 G N 1.567 110.318 108.800 -0.081 0.000 1.876 358 G HA2 0.345 4.305 3.960 0.000 0.000 0.059 358 G HA3 0.345 4.305 3.960 0.000 0.000 0.059 358 G C -0.606 174.291 174.900 -0.004 0.000 0.755 358 G CA 0.005 45.074 45.100 -0.053 0.000 1.092 358 G HN 1.095 nan 8.290 nan 0.000 0.322 359 S N -1.213 114.489 115.700 0.003 0.000 2.615 359 S HA 0.720 5.190 4.470 0.000 0.000 0.268 359 S C -0.448 174.200 174.600 0.080 0.000 1.146 359 S CA 1.126 59.366 58.200 0.067 0.000 0.818 359 S CB -0.053 63.169 63.200 0.036 0.000 1.111 359 S HN 2.031 nan 8.310 nan 0.000 0.465 360 D N -0.277 120.179 120.400 0.094 0.000 2.488 360 D HA 0.540 5.180 4.640 0.000 0.000 0.238 360 D C 0.599 176.924 176.300 0.041 0.000 1.138 360 D CA 0.730 54.775 54.000 0.075 0.000 0.873 360 D CB -0.667 40.164 40.800 0.052 0.000 1.183 360 D HN 1.817 nan 8.370 nan 0.000 0.458 361 Y N -1.538 118.781 120.300 0.031 0.000 2.550 361 Y HA 0.473 5.023 4.550 0.000 0.000 0.343 361 Y C 1.016 176.959 175.900 0.072 0.000 1.245 361 Y CA -0.355 57.768 58.100 0.039 0.000 1.462 361 Y CB -0.010 38.461 38.460 0.018 0.000 1.340 361 Y HN 1.533 nan 8.280 nan 0.000 0.604 362 L N 3.098 124.362 121.223 0.069 0.000 2.295 362 L HA 0.519 4.859 4.340 0.000 0.000 0.281 362 L C -0.028 176.869 176.870 0.044 0.000 1.018 362 L CA -0.850 54.039 54.840 0.082 0.000 0.841 362 L CB 0.743 42.852 42.059 0.084 0.000 1.218 362 L HN 0.936 nan 8.230 nan 0.000 0.424 363 D N 2.982 123.387 120.400 0.008 0.000 2.346 363 D HA 0.361 5.001 4.640 0.000 0.000 0.267 363 D C 0.770 177.055 176.300 -0.025 0.000 1.320 363 D CA 1.014 55.003 54.000 -0.019 0.000 0.951 363 D CB 1.192 41.961 40.800 -0.052 0.000 1.079 363 D HN 0.688 nan 8.370 nan 0.000 0.509 364 I N 1.595 122.153 120.570 -0.019 0.000 4.187 364 I HA 0.447 4.617 4.170 0.000 0.000 0.326 364 I C 1.385 177.475 176.117 -0.045 0.000 1.302 364 I CA 0.791 62.060 61.300 -0.052 0.000 1.196 364 I CB -0.699 37.291 38.000 -0.017 0.000 1.095 364 I HN 0.709 nan 8.210 nan 0.000 0.411 365 G N -0.123 108.669 108.800 -0.013 0.000 2.660 365 G HA2 0.338 4.298 3.960 0.000 0.000 0.215 365 G HA3 0.338 4.298 3.960 0.000 0.000 0.215 365 G C -0.072 174.844 174.900 0.028 0.000 1.345 365 G CA 0.334 45.440 45.100 0.010 0.000 0.877 365 G HN 2.103 nan 8.290 nan 0.000 0.549 366 N N -0.314 118.415 118.700 0.048 0.000 2.622 366 N HA 0.505 5.245 4.740 0.000 0.000 0.293 366 N C -0.383 175.155 175.510 0.047 0.000 1.788 366 N CA 0.564 53.639 53.050 0.042 0.000 0.860 366 N CB 0.844 39.354 38.487 0.038 0.000 1.388 366 N HN 0.848 nan 8.380 nan 0.000 0.496 367 N N 1.690 120.419 118.700 0.049 0.000 2.444 367 N HA 0.374 5.114 4.740 0.000 0.000 0.262 367 N C -1.490 174.053 175.510 0.055 0.000 0.974 367 N CA -1.955 51.132 53.050 0.061 0.000 0.933 367 N CB 2.149 40.677 38.487 0.068 0.000 1.137 367 N HN 0.199 nan 8.380 nan 0.000 0.498 368 P HA -0.087 nan 4.420 nan 0.000 0.222 368 P C 0.532 177.868 177.300 0.060 0.000 1.147 368 P CA 0.749 63.878 63.100 0.048 0.000 0.790 368 P CB 0.097 31.823 31.700 0.044 0.000 0.780 369 R N 1.095 121.642 120.500 0.078 0.000 2.756 369 R HA 0.359 4.699 4.340 0.000 0.000 0.264 369 R C 0.671 177.025 176.300 0.090 0.000 1.026 369 R CA 0.383 56.538 56.100 0.093 0.000 1.121 369 R CB -0.993 29.376 30.300 0.116 0.000 0.999 369 R HN 0.203 nan 8.270 nan 0.000 0.449 370 V N -1.378 118.599 119.914 0.104 0.000 3.164 370 V HA 0.944 5.064 4.120 0.000 0.000 0.313 370 V C 0.840 177.021 176.094 0.145 0.000 1.188 370 V CA -0.492 61.881 62.300 0.122 0.000 1.058 370 V CB 1.669 33.569 31.823 0.128 0.000 1.110 370 V HN 1.324 nan 8.190 nan 0.000 0.453 371 G N 0.220 109.121 108.800 0.169 0.000 2.614 371 G HA2 0.395 4.355 3.960 0.000 0.000 0.239 371 G HA3 0.395 4.355 3.960 0.000 0.000 0.239 371 G C 0.139 175.153 174.900 0.190 0.000 1.240 371 G CA 0.103 45.316 45.100 0.187 0.000 0.842 371 G HN 1.027 nan 8.290 nan 0.000 0.584 372 T N 1.760 116.426 114.554 0.188 0.000 2.829 372 T HA 0.036 4.386 4.350 0.000 0.000 0.293 372 T C 1.678 176.536 174.700 0.262 0.000 0.970 372 T CA 0.148 62.372 62.100 0.206 0.000 1.168 372 T CB 0.849 69.822 68.868 0.173 0.000 0.911 372 T HN 0.571 nan 8.240 nan 0.000 0.535 373 K N 2.930 123.454 120.400 0.207 0.000 2.074 373 K HA -0.197 4.123 4.320 0.000 0.000 0.209 373 K C 2.385 179.053 176.600 0.114 0.000 1.048 373 K CA 1.236 57.611 56.287 0.147 0.000 0.926 373 K CB -0.062 32.510 32.500 0.121 0.000 0.713 373 K HN 0.418 nan 8.250 nan 0.000 0.444 374 R N 0.125 120.737 120.500 0.187 0.000 2.159 374 R HA -0.168 4.172 4.340 0.000 0.000 0.237 374 R C 0.882 177.248 176.300 0.111 0.000 1.131 374 R CA 1.509 57.681 56.100 0.121 0.000 0.982 374 R CB 0.025 30.433 30.300 0.181 0.000 0.868 374 R HN 0.332 nan 8.270 nan 0.000 0.453 375 Y N -1.013 119.417 120.300 0.218 0.000 2.531 375 Y HA 0.268 4.818 4.550 0.000 0.000 0.249 375 Y C 0.227 176.334 175.900 0.345 0.000 1.168 375 Y CA -0.654 57.655 58.100 0.349 0.000 1.226 375 Y CB 0.543 39.196 38.460 0.322 0.000 1.177 375 Y HN -0.098 nan 8.280 nan 0.000 0.527 376 M N 1.146 120.896 119.600 0.250 0.000 2.219 376 M HA 0.308 4.788 4.480 0.000 0.000 0.353 376 M C 0.609 176.754 176.300 -0.259 0.000 1.304 376 M CA -0.300 55.029 55.300 0.049 0.000 1.115 376 M CB 0.692 33.269 32.600 -0.039 0.000 1.664 376 M HN 0.232 nan 8.290 nan 0.000 0.459 377 A N 5.394 127.928 122.820 -0.477 0.000 2.386 377 A HA 0.280 4.600 4.320 0.000 0.000 0.246 377 A C -1.726 175.381 177.584 -0.796 0.000 1.089 377 A CA -1.201 50.140 52.037 -1.160 0.000 0.790 377 A CB -0.452 18.156 19.000 -0.654 0.000 1.042 377 A HN 0.610 nan 8.150 nan 0.000 0.497 378 P HA -0.214 nan 4.420 nan 0.000 0.215 378 P C 1.269 178.387 177.300 -0.304 0.000 1.157 378 P CA 1.747 64.549 63.100 -0.498 0.000 0.874 378 P CB -0.010 31.448 31.700 -0.404 0.000 0.790 379 E N -0.163 119.884 120.200 -0.255 0.000 2.265 379 E HA -0.091 4.259 4.350 0.000 0.000 0.196 379 E C 1.726 178.273 176.600 -0.089 0.000 0.996 379 E CA 1.142 57.460 56.400 -0.136 0.000 0.832 379 E CB -1.232 28.412 29.700 -0.093 0.000 0.756 379 E HN 0.126 nan 8.360 nan 0.000 0.491 380 V N 1.260 121.109 119.914 -0.108 0.000 2.535 380 V HA -0.123 3.997 4.120 0.000 0.000 0.246 380 V C 2.489 178.613 176.094 0.050 0.000 1.045 380 V CA 0.975 63.272 62.300 -0.005 0.000 1.058 380 V CB -0.375 31.457 31.823 0.015 0.000 0.689 380 V HN 0.158 nan 8.190 nan 0.000 0.461 381 L N -0.562 120.577 121.223 -0.140 0.000 2.179 381 L HA -0.058 4.282 4.340 0.000 0.000 0.208 381 L C 2.182 179.028 176.870 -0.040 0.000 1.096 381 L CA 1.124 55.780 54.840 -0.307 0.000 0.779 381 L CB -0.510 41.198 42.059 -0.584 0.000 0.922 381 L HN 0.284 nan 8.230 nan 0.000 0.443 382 D N 0.440 120.809 120.400 -0.052 0.000 2.269 382 D HA -0.148 4.492 4.640 0.000 0.000 0.208 382 D C 0.602 176.933 176.300 0.053 0.000 0.963 382 D CA 0.610 54.605 54.000 -0.007 0.000 0.864 382 D CB 0.172 40.944 40.800 -0.048 0.000 0.936 382 D HN 0.299 nan 8.370 nan 0.000 0.505 383 E N -2.329 117.920 120.200 0.081 0.000 2.791 383 E HA -0.270 4.080 4.350 0.000 0.000 0.271 383 E C 0.921 177.535 176.600 0.024 0.000 1.044 383 E CA 0.653 57.095 56.400 0.070 0.000 0.814 383 E CB -1.615 28.132 29.700 0.077 0.000 1.400 383 E HN 0.466 nan 8.360 nan 0.000 0.423 384 Q N 0.024 119.826 119.800 0.002 0.000 2.319 384 Q HA 0.342 4.682 4.340 0.000 0.000 0.202 384 Q C 0.735 176.723 176.000 -0.021 0.000 0.896 384 Q CA 0.637 56.432 55.803 -0.012 0.000 0.942 384 Q CB 0.170 28.895 28.738 -0.023 0.000 1.083 384 Q HN 0.526 nan 8.270 nan 0.000 0.510 385 I N 0.806 121.361 120.570 -0.026 0.000 2.634 385 I HA 0.210 4.380 4.170 0.000 0.000 0.284 385 I C -0.022 176.058 176.117 -0.061 0.000 1.124 385 I CA -0.601 60.668 61.300 -0.051 0.000 1.417 385 I CB 1.091 39.045 38.000 -0.077 0.000 1.396 385 I HN 0.208 nan 8.210 nan 0.000 0.571 386 R N 4.898 125.351 120.500 -0.079 0.000 2.248 386 R HA 0.117 4.457 4.340 0.000 0.000 0.337 386 R C 1.086 177.301 176.300 -0.142 0.000 1.106 386 R CA 0.247 56.303 56.100 -0.073 0.000 0.959 386 R CB 0.373 30.647 30.300 -0.043 0.000 1.075 386 R HN 0.783 nan 8.270 nan 0.000 0.480 387 T N -2.102 112.406 114.554 -0.078 0.000 3.163 387 T HA -0.088 4.262 4.350 0.000 0.000 0.260 387 T C 0.636 175.387 174.700 0.085 0.000 1.156 387 T CA 0.644 62.736 62.100 -0.014 0.000 1.072 387 T CB -0.121 68.812 68.868 0.108 0.000 0.937 387 T HN 0.512 nan 8.240 nan 0.000 0.528 388 D N -0.293 120.123 120.400 0.026 0.000 2.463 388 D HA 0.255 4.895 4.640 0.000 0.000 0.224 388 D C -0.251 176.055 176.300 0.010 0.000 1.174 388 D CA -0.803 53.227 54.000 0.050 0.000 0.829 388 D CB -0.747 40.073 40.800 0.033 0.000 0.993 388 D HN 0.361 nan 8.370 nan 0.000 0.497 389 C N 0.383 119.660 119.300 -0.039 0.000 2.364 389 C HA 0.474 4.934 4.460 0.000 0.000 0.324 389 C C 1.074 176.010 174.990 -0.090 0.000 1.234 389 C CA -1.006 57.964 59.018 -0.081 0.000 1.417 389 C CB -0.791 26.892 27.740 -0.094 0.000 2.101 389 C HN 0.375 nan 8.230 nan 0.000 0.466 390 F N 3.908 123.725 119.950 -0.223 0.000 2.146 390 F HA 0.063 4.590 4.527 0.000 0.000 0.298 390 F C 2.043 177.684 175.800 -0.264 0.000 1.096 390 F CA 2.768 60.681 58.000 -0.145 0.000 1.275 390 F CB -0.336 38.500 39.000 -0.274 0.000 1.008 390 F HN 0.779 nan 8.300 nan 0.000 0.480 391 E N 0.117 120.040 120.200 -0.461 0.000 2.097 391 E HA -0.232 4.118 4.350 0.000 0.000 0.196 391 E C 2.176 178.056 176.600 -1.201 0.000 1.000 391 E CA 1.794 57.617 56.400 -0.963 0.000 0.804 391 E CB -1.437 27.672 29.700 -0.985 0.000 0.740 391 E HN 0.543 nan 8.360 nan 0.000 0.454 392 S N -0.034 115.273 115.700 -0.654 0.000 2.372 392 S HA -0.184 4.286 4.470 0.000 0.000 0.227 392 S C 2.012 176.435 174.600 -0.296 0.000 1.044 392 S CA 1.629 59.673 58.200 -0.259 0.000 1.050 392 S CB -0.551 62.459 63.200 -0.317 0.000 0.901 392 S HN 0.715 nan 8.310 nan 0.000 0.447 393 Y N 1.634 121.739 120.300 -0.325 0.000 2.242 393 Y HA -0.012 4.538 4.550 0.000 0.000 0.291 393 Y C 2.339 178.043 175.900 -0.326 0.000 1.137 393 Y CA 0.630 58.566 58.100 -0.273 0.000 1.181 393 Y CB -0.369 37.903 38.460 -0.313 0.000 0.989 393 Y HN 0.158 nan 8.280 nan 0.000 0.527 394 K N -0.967 119.118 120.400 -0.525 0.000 2.063 394 K HA -0.209 4.111 4.320 0.000 0.000 0.208 394 K C 1.767 178.326 176.600 -0.067 0.000 1.048 394 K CA 1.454 57.408 56.287 -0.555 0.000 0.928 394 K CB -0.382 31.552 32.500 -0.943 0.000 0.713 394 K HN 0.354 nan 8.250 nan 0.000 0.442 395 W N 0.994 122.273 121.300 -0.035 0.000 2.465 395 W HA -0.085 4.575 4.660 0.000 0.000 0.268 395 W C 2.298 178.902 176.519 0.141 0.000 1.242 395 W CA 1.537 58.917 57.345 0.058 0.000 1.248 395 W CB -1.046 28.428 29.460 0.023 0.000 1.118 395 W HN 0.256 nan 8.180 nan 0.000 0.587 396 T N -3.204 111.541 114.554 0.318 0.000 3.014 396 T HA -0.092 4.258 4.350 0.000 0.000 0.263 396 T C 1.310 176.240 174.700 0.384 0.000 1.078 396 T CA 1.242 63.532 62.100 0.316 0.000 1.135 396 T CB -0.217 68.789 68.868 0.230 0.000 0.895 396 T HN -0.206 nan 8.240 nan 0.000 0.480 397 D N 1.537 122.131 120.400 0.323 0.000 2.117 397 D HA -0.028 4.612 4.640 0.000 0.000 0.197 397 D C 2.080 178.537 176.300 0.261 0.000 0.987 397 D CA 0.710 54.889 54.000 0.297 0.000 0.829 397 D CB -0.201 40.779 40.800 0.300 0.000 0.961 397 D HN 0.310 nan 8.370 nan 0.000 0.460 398 I N 0.402 121.145 120.570 0.288 0.000 2.142 398 I HA -0.230 3.940 4.170 0.000 0.000 0.240 398 I C 2.419 178.775 176.117 0.398 0.000 1.078 398 I CA 0.774 62.221 61.300 0.245 0.000 1.343 398 I CB -1.275 36.877 38.000 0.253 0.000 1.046 398 I HN 0.316 nan 8.210 nan 0.000 0.405 399 W N 2.610 124.097 121.300 0.311 0.000 2.289 399 W HA -0.359 4.301 4.660 0.000 0.000 0.331 399 W C 2.602 179.417 176.519 0.494 0.000 1.283 399 W CA 2.966 60.557 57.345 0.410 0.000 1.252 399 W CB -0.530 29.119 29.460 0.314 0.000 1.153 399 W HN 0.190 nan 8.180 nan 0.000 0.467 400 A N 0.058 123.311 122.820 0.723 0.000 1.948 400 A HA -0.272 4.048 4.320 0.000 0.000 0.220 400 A C 1.961 179.927 177.584 0.636 0.000 1.177 400 A CA 1.881 54.348 52.037 0.717 0.000 0.636 400 A CB -1.588 17.864 19.000 0.753 0.000 0.815 400 A HN 0.484 nan 8.150 nan 0.000 0.449 401 F N 0.896 121.021 119.950 0.292 0.000 2.102 401 F HA -0.004 4.523 4.527 0.000 0.000 0.298 401 F C 2.379 178.283 175.800 0.174 0.000 1.105 401 F CA 1.572 59.655 58.000 0.138 0.000 1.239 401 F CB -0.692 38.177 39.000 -0.219 0.000 0.991 401 F HN 0.233 nan 8.300 nan 0.000 0.474 402 G N 1.076 110.051 108.800 0.291 0.000 2.505 402 G HA2 -0.285 3.675 3.960 0.000 0.000 0.220 402 G HA3 -0.285 3.675 3.960 0.000 0.000 0.220 402 G C 1.685 176.715 174.900 0.216 0.000 1.145 402 G CA 1.435 46.530 45.100 -0.009 0.000 0.761 402 G HN 0.453 nan 8.290 nan 0.000 0.571 403 L N 0.234 121.721 121.223 0.440 0.000 2.093 403 L HA -0.057 4.284 4.340 0.000 0.000 0.208 403 L C 2.904 179.992 176.870 0.363 0.000 1.085 403 L CA 0.424 55.481 54.840 0.362 0.000 0.755 403 L CB -0.645 41.468 42.059 0.091 0.000 0.904 403 L HN 0.102 nan 8.230 nan 0.000 0.435 404 V N 0.072 120.174 119.914 0.313 0.000 2.548 404 V HA -0.218 3.902 4.120 0.000 0.000 0.249 404 V C 2.462 178.589 176.094 0.055 0.000 1.055 404 V CA 1.223 63.651 62.300 0.213 0.000 1.065 404 V CB -0.339 31.579 31.823 0.160 0.000 0.681 404 V HN 0.335 nan 8.190 nan 0.000 0.462 405 L N -1.351 119.825 121.223 -0.078 0.000 2.017 405 L HA -0.223 4.117 4.340 0.000 0.000 0.208 405 L C 2.356 179.250 176.870 0.041 0.000 1.073 405 L CA 2.346 57.135 54.840 -0.086 0.000 0.745 405 L CB -0.570 41.411 42.059 -0.130 0.000 0.894 405 L HN 0.510 nan 8.230 nan 0.000 0.432 406 W N 1.546 122.820 121.300 -0.043 0.000 2.302 406 W HA -0.278 4.382 4.660 0.000 0.000 0.320 406 W C 2.479 178.997 176.519 -0.002 0.000 1.241 406 W CA 2.177 59.526 57.345 0.006 0.000 1.264 406 W CB -0.154 29.380 29.460 0.122 0.000 1.154 406 W HN 0.127 nan 8.180 nan 0.000 0.483 407 E N -0.197 120.156 120.200 0.255 0.000 2.085 407 E HA -0.275 4.075 4.350 0.000 0.000 0.194 407 E C 2.116 178.687 176.600 -0.049 0.000 0.994 407 E CA 1.953 58.403 56.400 0.083 0.000 0.801 407 E CB -0.566 29.326 29.700 0.320 0.000 0.743 407 E HN 0.408 nan 8.360 nan 0.000 0.453 408 I N 0.992 121.554 120.570 -0.013 0.000 2.202 408 I HA -0.254 3.916 4.170 0.000 0.000 0.242 408 I C 2.606 178.658 176.117 -0.110 0.000 1.091 408 I CA 0.894 62.175 61.300 -0.032 0.000 1.368 408 I CB -0.361 37.628 38.000 -0.019 0.000 1.058 408 I HN 0.081 nan 8.210 nan 0.000 0.410 409 A N 0.955 123.676 122.820 -0.165 0.000 1.865 409 A HA -0.277 4.043 4.320 0.000 0.000 0.217 409 A C 2.423 179.835 177.584 -0.287 0.000 1.191 409 A CA 2.013 53.930 52.037 -0.201 0.000 0.623 409 A CB -0.775 18.103 19.000 -0.203 0.000 0.826 409 A HN 0.372 nan 8.150 nan 0.000 0.444 410 R N -1.059 119.144 120.500 -0.495 0.000 2.139 410 R HA -0.164 4.176 4.340 0.000 0.000 0.243 410 R C 1.820 177.930 176.300 -0.318 0.000 1.145 410 R CA 1.880 57.656 56.100 -0.541 0.000 0.976 410 R CB -0.135 29.622 30.300 -0.905 0.000 0.866 410 R HN 0.296 nan 8.270 nan 0.000 0.449 411 R N -0.083 120.277 120.500 -0.234 0.000 2.334 411 R HA 0.143 4.484 4.340 0.000 0.000 0.220 411 R C -0.696 175.534 176.300 -0.118 0.000 0.917 411 R CA 0.302 56.314 56.100 -0.148 0.000 1.073 411 R CB 0.391 30.639 30.300 -0.086 0.000 1.056 411 R HN 0.033 nan 8.270 nan 0.000 0.506 412 T N 0.659 115.141 114.554 -0.120 0.000 2.837 412 T HA 0.399 4.749 4.350 0.000 0.000 0.285 412 T C 0.097 174.751 174.700 -0.078 0.000 0.984 412 T CA -0.437 61.613 62.100 -0.084 0.000 1.049 412 T CB 1.171 69.995 68.868 -0.073 0.000 0.947 412 T HN 0.029 nan 8.240 nan 0.000 0.472 413 I N 3.818 124.353 120.570 -0.059 0.000 2.322 413 I HA 0.324 4.494 4.170 0.000 0.000 0.292 413 I C -0.378 175.716 176.117 -0.039 0.000 1.060 413 I CA -0.541 60.728 61.300 -0.052 0.000 1.309 413 I CB 0.605 38.578 38.000 -0.046 0.000 1.415 413 I HN 0.193 nan 8.210 nan 0.000 0.492 414 V N 6.180 126.069 119.914 -0.041 0.000 2.604 414 V HA 0.282 4.402 4.120 0.000 0.000 0.305 414 V C 0.271 176.348 176.094 -0.029 0.000 1.043 414 V CA -0.885 61.396 62.300 -0.031 0.000 0.888 414 V CB 1.676 33.479 31.823 -0.033 0.000 0.995 414 V HN 0.819 nan 8.190 nan 0.000 0.429 415 N N 3.522 122.209 118.700 -0.022 0.000 2.698 415 N HA -0.232 4.509 4.740 0.000 0.000 0.258 415 N C 1.319 176.815 175.510 -0.023 0.000 0.978 415 N CA 1.286 54.324 53.050 -0.020 0.000 0.777 415 N CB -0.928 37.548 38.487 -0.018 0.000 0.907 415 N HN 1.542 nan 8.380 nan 0.000 0.543 416 G N -2.178 106.607 108.800 -0.026 0.000 2.219 416 G HA2 -0.292 3.668 3.960 0.000 0.000 0.271 416 G HA3 -0.292 3.668 3.960 0.000 0.000 0.271 416 G C 0.504 175.383 174.900 -0.036 0.000 0.991 416 G CA 1.143 46.225 45.100 -0.030 0.000 0.685 416 G HN 1.116 nan 8.290 nan 0.000 0.531 417 I N -1.050 119.497 120.570 -0.038 0.000 2.365 417 I HA 0.853 5.023 4.170 0.000 0.000 0.291 417 I C 0.383 176.465 176.117 -0.059 0.000 1.004 417 I CA -0.692 60.581 61.300 -0.045 0.000 1.311 417 I CB 1.710 39.686 38.000 -0.041 0.000 1.401 417 I HN 0.991 nan 8.210 nan 0.000 0.491 418 V N 4.906 124.780 119.914 -0.067 0.000 2.852 418 V HA 0.473 4.594 4.120 0.000 0.000 0.300 418 V C -0.431 175.604 176.094 -0.097 0.000 1.205 418 V CA -0.561 61.686 62.300 -0.088 0.000 0.940 418 V CB 1.976 33.746 31.823 -0.089 0.000 1.047 418 V HN 1.009 nan 8.190 nan 0.000 0.429 419 E N 2.807 122.931 120.200 -0.126 0.000 2.349 419 E HA 0.381 4.731 4.350 0.000 0.000 0.265 419 E C 0.159 176.670 176.600 -0.148 0.000 1.064 419 E CA 0.521 56.836 56.400 -0.142 0.000 0.886 419 E CB 1.374 30.962 29.700 -0.187 0.000 1.036 419 E HN 0.978 nan 8.360 nan 0.000 0.413 420 D N 1.329 121.647 120.400 -0.137 0.000 2.382 420 D HA 0.019 4.659 4.640 0.000 0.000 0.240 420 D C -0.141 176.069 176.300 -0.150 0.000 1.146 420 D CA -0.070 53.861 54.000 -0.115 0.000 0.897 420 D CB 0.194 40.939 40.800 -0.093 0.000 1.197 420 D HN 0.412 nan 8.370 nan 0.000 0.432 421 Y N 0.421 120.599 120.300 -0.204 0.000 2.620 421 Y HA 0.413 4.963 4.550 0.000 0.000 0.330 421 Y C 0.766 176.542 175.900 -0.206 0.000 1.186 421 Y CA 0.912 58.883 58.100 -0.216 0.000 1.467 421 Y CB 0.086 38.409 38.460 -0.228 0.000 1.262 421 Y HN 0.835 nan 8.280 nan 0.000 0.550 422 R N 6.616 126.509 120.500 -1.013 0.000 2.725 422 R HA 0.607 4.947 4.340 0.000 0.000 0.277 422 R C -3.231 172.632 176.300 -0.728 0.000 0.987 422 R CA -1.786 53.850 56.100 -0.773 0.000 0.901 422 R CB 0.486 30.242 30.300 -0.906 0.000 1.207 422 R HN 0.599 nan 8.270 nan 0.000 0.463 423 P HA 0.325 nan 4.420 nan 0.000 0.274 423 P C -2.682 174.747 177.300 0.216 0.000 1.246 423 P CA -1.625 61.565 63.100 0.151 0.000 0.795 423 P CB 0.193 32.087 31.700 0.325 0.000 1.006 424 P HA 0.070 nan 4.420 nan 0.000 0.268 424 P C -0.249 176.869 177.300 -0.303 0.000 1.205 424 P CA 0.384 63.171 63.100 -0.521 0.000 0.771 424 P CB -0.326 31.005 31.700 -0.616 0.000 0.858 425 F N -0.440 119.209 119.950 -0.500 0.000 3.034 425 F HA -0.276 4.251 4.527 0.000 0.000 0.286 425 F C 1.383 177.022 175.800 -0.270 0.000 0.804 425 F CA 0.770 58.529 58.000 -0.402 0.000 1.161 425 F CB -3.070 35.742 39.000 -0.313 0.000 1.317 425 F HN 0.437 nan 8.300 nan 0.000 0.453 426 Y N 0.574 120.860 120.300 -0.024 0.000 2.298 426 Y HA -0.174 4.376 4.550 0.000 0.000 0.287 426 Y C 1.911 177.830 175.900 0.032 0.000 1.164 426 Y CA 1.524 59.642 58.100 0.031 0.000 1.229 426 Y CB -0.715 37.769 38.460 0.040 0.000 0.977 426 Y HN 0.330 nan 8.280 nan 0.000 0.538 427 D N 0.655 120.661 120.400 -0.657 0.000 2.349 427 D HA -0.052 4.588 4.640 0.000 0.000 0.215 427 D C 1.328 177.519 176.300 -0.182 0.000 1.016 427 D CA 1.046 54.800 54.000 -0.411 0.000 0.870 427 D CB -0.425 39.999 40.800 -0.626 0.000 0.917 427 D HN 0.491 nan 8.370 nan 0.000 0.524 428 V N -2.409 117.425 119.914 -0.133 0.000 3.485 428 V HA 0.326 4.446 4.120 0.000 0.000 0.280 428 V C 0.503 176.566 176.094 -0.052 0.000 1.495 428 V CA 0.182 62.437 62.300 -0.074 0.000 1.018 428 V CB 0.135 31.920 31.823 -0.062 0.000 0.818 428 V HN 0.125 nan 8.190 nan 0.000 0.436 429 V N -2.433 117.466 119.914 -0.026 0.000 3.007 429 V HA 0.826 4.946 4.120 0.000 0.000 0.311 429 V C -2.640 173.469 176.094 0.025 0.000 1.120 429 V CA -1.757 60.531 62.300 -0.020 0.000 0.980 429 V CB 1.718 33.509 31.823 -0.053 0.000 1.033 429 V HN 0.133 nan 8.190 nan 0.000 0.429 430 P HA 0.272 nan 4.420 nan 0.000 0.286 430 P C 0.217 177.558 177.300 0.068 0.000 1.293 430 P CA -0.018 63.111 63.100 0.047 0.000 0.770 430 P CB 0.446 32.167 31.700 0.035 0.000 1.206 431 N N -1.028 117.719 118.700 0.077 0.000 2.396 431 N HA -0.105 4.635 4.740 0.000 0.000 0.180 431 N C -0.183 175.382 175.510 0.091 0.000 1.028 431 N CA 0.902 54.010 53.050 0.097 0.000 0.893 431 N CB -0.581 37.964 38.487 0.096 0.000 0.967 431 N HN 0.300 nan 8.380 nan 0.000 0.440 432 D N 0.942 121.385 120.400 0.072 0.000 2.795 432 D HA 0.229 4.869 4.640 0.000 0.000 0.335 432 D C -2.488 173.850 176.300 0.063 0.000 1.262 432 D CA -1.663 52.380 54.000 0.072 0.000 0.885 432 D CB 0.588 41.426 40.800 0.063 0.000 1.047 432 D HN 0.183 nan 8.370 nan 0.000 0.500 433 P HA -0.078 nan 4.420 nan 0.000 0.257 433 P C 0.111 177.434 177.300 0.037 0.000 1.162 433 P CA 0.187 63.302 63.100 0.025 0.000 0.762 433 P CB 0.542 32.243 31.700 0.001 0.000 0.753 434 S N 2.703 118.423 115.700 0.033 0.000 2.600 434 S HA 0.113 4.583 4.470 0.000 0.000 0.265 434 S C 1.023 175.669 174.600 0.076 0.000 1.325 434 S CA -0.579 57.663 58.200 0.070 0.000 1.002 434 S CB 0.247 63.486 63.200 0.064 0.000 0.921 434 S HN 0.374 nan 8.310 nan 0.000 0.554 435 F N 1.912 121.854 119.950 -0.013 0.000 2.126 435 F HA -0.051 4.476 4.527 0.000 0.000 0.299 435 F C 2.822 178.594 175.800 -0.045 0.000 1.096 435 F CA 2.463 60.448 58.000 -0.025 0.000 1.255 435 F CB -1.019 37.974 39.000 -0.013 0.000 0.997 435 F HN 0.856 nan 8.300 nan 0.000 0.479 436 E N -0.017 120.277 120.200 0.156 0.000 2.107 436 E HA -0.182 4.168 4.350 0.000 0.000 0.191 436 E C 1.777 178.350 176.600 -0.046 0.000 0.982 436 E CA 1.523 57.960 56.400 0.063 0.000 0.809 436 E CB -1.068 28.679 29.700 0.078 0.000 0.756 436 E HN 0.494 nan 8.360 nan 0.000 0.459 437 D N 0.029 120.400 120.400 -0.049 0.000 2.104 437 D HA -0.149 4.491 4.640 0.000 0.000 0.194 437 D C 2.027 178.220 176.300 -0.178 0.000 0.994 437 D CA 1.572 55.518 54.000 -0.090 0.000 0.830 437 D CB -0.153 40.608 40.800 -0.065 0.000 0.959 437 D HN 0.298 nan 8.370 nan 0.000 0.452 438 M N 0.538 119.996 119.600 -0.238 0.000 2.123 438 M HA -0.076 4.405 4.480 0.000 0.000 0.263 438 M C 2.094 178.165 176.300 -0.383 0.000 1.069 438 M CA 0.910 55.990 55.300 -0.367 0.000 1.133 438 M CB -0.916 31.448 32.600 -0.393 0.000 1.356 438 M HN -0.019 nan 8.290 nan 0.000 0.415 439 K N 0.766 120.933 120.400 -0.388 0.000 2.059 439 K HA -0.254 4.067 4.320 0.000 0.000 0.212 439 K C 2.126 178.599 176.600 -0.212 0.000 1.050 439 K CA 1.920 58.012 56.287 -0.324 0.000 0.927 439 K CB -0.128 32.229 32.500 -0.239 0.000 0.714 439 K HN 0.243 nan 8.250 nan 0.000 0.447 440 K N 0.266 120.565 120.400 -0.168 0.000 2.026 440 K HA -0.123 4.197 4.320 0.000 0.000 0.208 440 K C 1.958 178.472 176.600 -0.143 0.000 1.048 440 K CA 1.516 57.728 56.287 -0.125 0.000 0.929 440 K CB -0.019 32.424 32.500 -0.094 0.000 0.713 440 K HN -0.003 nan 8.250 nan 0.000 0.439 441 V N 0.615 120.412 119.914 -0.195 0.000 2.307 441 V HA -0.185 3.935 4.120 0.000 0.000 0.245 441 V C 2.267 178.233 176.094 -0.212 0.000 1.045 441 V CA 1.496 63.670 62.300 -0.210 0.000 1.024 441 V CB 0.090 31.728 31.823 -0.308 0.000 0.651 441 V HN 0.200 nan 8.190 nan 0.000 0.449 442 V N -1.612 118.127 119.914 -0.291 0.000 2.649 442 V HA -0.136 3.984 4.120 0.000 0.000 0.248 442 V C 2.173 178.171 176.094 -0.160 0.000 1.054 442 V CA 1.728 63.891 62.300 -0.229 0.000 1.073 442 V CB -0.011 31.616 31.823 -0.326 0.000 0.699 442 V HN 0.618 nan 8.190 nan 0.000 0.463 443 C N -1.119 118.076 119.300 -0.174 0.000 2.519 443 C HA 0.120 4.581 4.460 0.000 0.000 0.297 443 C C 2.592 177.529 174.990 -0.088 0.000 1.414 443 C CA 0.343 59.282 59.018 -0.132 0.000 1.893 443 C CB -0.143 27.510 27.740 -0.146 0.000 2.134 443 C HN 0.371 nan 8.230 nan 0.000 0.580 444 V N 1.841 121.702 119.914 -0.088 0.000 2.244 444 V HA -0.155 3.965 4.120 0.000 0.000 0.244 444 V C 1.710 177.773 176.094 -0.051 0.000 1.042 444 V CA 2.249 64.512 62.300 -0.062 0.000 1.006 444 V CB -0.857 30.931 31.823 -0.058 0.000 0.641 444 V HN 0.418 nan 8.190 nan 0.000 0.446 445 D N -0.993 119.371 120.400 -0.059 0.000 2.347 445 D HA 0.014 4.654 4.640 0.000 0.000 0.215 445 D C 1.411 177.694 176.300 -0.028 0.000 0.976 445 D CA 0.440 54.414 54.000 -0.043 0.000 0.884 445 D CB -0.210 40.559 40.800 -0.051 0.000 0.915 445 D HN 0.515 nan 8.370 nan 0.000 0.526 446 Q N 0.047 119.829 119.800 -0.030 0.000 2.457 446 Q HA -0.199 4.141 4.340 0.000 0.000 0.283 446 Q C -0.666 175.351 176.000 0.030 0.000 1.234 446 Q CA 0.494 56.299 55.803 0.003 0.000 0.877 446 Q CB -0.729 28.015 28.738 0.011 0.000 1.250 446 Q HN 0.203 nan 8.270 nan 0.000 0.481 447 Q N 0.200 120.013 119.800 0.021 0.000 2.299 447 Q HA 0.455 4.795 4.340 0.000 0.000 0.246 447 Q C 0.256 176.313 176.000 0.095 0.000 0.935 447 Q CA 0.794 56.623 55.803 0.043 0.000 0.887 447 Q CB 1.582 30.344 28.738 0.040 0.000 1.223 447 Q HN 0.432 nan 8.270 nan 0.000 0.439 448 T N -1.481 113.040 114.554 -0.055 0.000 2.906 448 T HA 0.618 4.968 4.350 0.000 0.000 0.295 448 T C -2.647 171.688 174.700 -0.609 0.000 1.075 448 T CA -2.192 59.664 62.100 -0.407 0.000 1.005 448 T CB 1.360 70.002 68.868 -0.375 0.000 1.136 448 T HN 0.191 nan 8.240 nan 0.000 0.498 449 P HA 0.233 nan 4.420 nan 0.000 0.268 449 P C -0.235 176.874 177.300 -0.318 0.000 1.204 449 P CA -0.122 62.352 63.100 -1.043 0.000 0.768 449 P CB 0.014 30.630 31.700 -1.806 0.000 0.842 450 T N 4.671 119.149 114.554 -0.126 0.000 2.750 450 T HA 0.165 4.515 4.350 0.000 0.000 0.286 450 T C 0.768 175.678 174.700 0.351 0.000 0.911 450 T CA 0.033 62.197 62.100 0.107 0.000 1.130 450 T CB -0.608 68.305 68.868 0.074 0.000 0.873 450 T HN 0.221 nan 8.240 nan 0.000 0.536 451 I N 6.621 127.371 120.570 0.300 0.000 2.517 451 I HA 0.130 4.300 4.170 0.000 0.000 0.285 451 I C -1.591 174.628 176.117 0.170 0.000 1.106 451 I CA -2.018 59.464 61.300 0.303 0.000 1.402 451 I CB 0.397 38.508 38.000 0.185 0.000 1.399 451 I HN 0.353 nan 8.210 nan 0.000 0.535 452 P HA 0.028 nan 4.420 nan 0.000 0.265 452 P C 0.773 178.089 177.300 0.027 0.000 1.187 452 P CA 0.243 63.367 63.100 0.039 0.000 0.766 452 P CB 0.470 32.144 31.700 -0.044 0.000 0.820 453 N N 3.505 122.220 118.700 0.025 0.000 2.142 453 N HA -0.169 4.571 4.740 0.000 0.000 0.186 453 N C 1.243 176.754 175.510 0.001 0.000 1.023 453 N CA 1.072 54.133 53.050 0.017 0.000 0.852 453 N CB -0.725 37.773 38.487 0.018 0.000 0.998 453 N HN 0.610 nan 8.380 nan 0.000 0.424 454 R N 0.894 121.389 120.500 -0.009 0.000 5.015 454 R HA 0.156 4.496 4.340 0.000 0.000 0.181 454 R C 0.042 176.327 176.300 -0.024 0.000 2.160 454 R CA 0.235 56.325 56.100 -0.017 0.000 1.752 454 R CB -0.705 29.580 30.300 -0.025 0.000 1.324 454 R HN 0.509 nan 8.270 nan 0.000 0.820 455 L N -0.647 120.565 121.223 -0.018 0.000 2.806 455 L HA 0.207 4.547 4.340 0.000 0.000 0.242 455 L C 2.015 178.875 176.870 -0.017 0.000 1.068 455 L CA 0.676 55.502 54.840 -0.023 0.000 0.923 455 L CB -0.030 42.013 42.059 -0.027 0.000 1.364 455 L HN 0.424 nan 8.230 nan 0.000 0.511 456 A N 0.430 123.243 122.820 -0.011 0.000 2.014 456 A HA -0.007 4.313 4.320 0.000 0.000 0.218 456 A C 2.301 179.880 177.584 -0.008 0.000 1.163 456 A CA 1.397 53.429 52.037 -0.008 0.000 0.652 456 A CB -0.325 18.673 19.000 -0.004 0.000 0.808 456 A HN 0.331 nan 8.150 nan 0.000 0.449 457 A N -0.288 122.527 122.820 -0.009 0.000 2.070 457 A HA 0.214 4.534 4.320 0.000 0.000 0.220 457 A C 1.227 178.806 177.584 -0.010 0.000 1.159 457 A CA 1.378 53.410 52.037 -0.009 0.000 0.656 457 A CB -1.404 17.591 19.000 -0.009 0.000 0.800 457 A HN 0.666 nan 8.150 nan 0.000 0.453 458 D N 0.270 120.662 120.400 -0.012 0.000 2.277 458 D HA 0.419 5.059 4.640 0.000 0.000 0.249 458 D C -1.296 174.999 176.300 -0.009 0.000 1.134 458 D CA -1.282 52.712 54.000 -0.011 0.000 0.863 458 D CB 0.319 41.110 40.800 -0.014 0.000 1.143 458 D HN 0.193 nan 8.370 nan 0.000 0.458 459 P HA -0.138 nan 4.420 nan 0.000 0.216 459 P C 1.839 179.135 177.300 -0.006 0.000 1.153 459 P CA 0.866 63.963 63.100 -0.006 0.000 0.848 459 P CB 0.256 31.953 31.700 -0.006 0.000 0.787 460 V N -0.266 119.645 119.914 -0.004 0.000 2.488 460 V HA -0.078 4.042 4.120 0.000 0.000 0.246 460 V C 2.016 178.107 176.094 -0.005 0.000 1.046 460 V CA 1.291 63.590 62.300 -0.001 0.000 1.053 460 V CB -1.145 30.681 31.823 0.006 0.000 0.679 460 V HN -0.098 nan 8.190 nan 0.000 0.458 461 L N 0.610 121.828 121.223 -0.009 0.000 2.693 461 L HA 0.144 4.484 4.340 0.000 0.000 0.242 461 L C 2.278 179.135 176.870 -0.022 0.000 1.157 461 L CA 0.957 55.785 54.840 -0.019 0.000 0.929 461 L CB -0.340 41.704 42.059 -0.025 0.000 1.103 461 L HN 0.276 nan 8.230 nan 0.000 0.430 462 S N -0.198 115.492 115.700 -0.016 0.000 2.458 462 S HA 0.033 4.503 4.470 0.000 0.000 0.223 462 S C 1.981 176.569 174.600 -0.021 0.000 1.019 462 S CA 0.956 59.147 58.200 -0.016 0.000 0.937 462 S CB 0.112 63.306 63.200 -0.010 0.000 0.788 462 S HN 0.549 nan 8.310 nan 0.000 0.511 463 G N 1.441 110.229 108.800 -0.020 0.000 2.426 463 G HA2 0.047 4.007 3.960 0.000 0.000 0.214 463 G HA3 0.047 4.007 3.960 0.000 0.000 0.214 463 G C 1.310 176.186 174.900 -0.040 0.000 1.156 463 G CA 0.233 45.317 45.100 -0.025 0.000 0.802 463 G HN 0.463 nan 8.290 nan 0.000 0.534 464 L N 0.898 122.099 121.223 -0.038 0.000 2.042 464 L HA -0.130 4.210 4.340 0.000 0.000 0.210 464 L C 3.370 180.183 176.870 -0.095 0.000 1.076 464 L CA 1.286 56.094 54.840 -0.053 0.000 0.749 464 L CB -0.756 41.278 42.059 -0.042 0.000 0.893 464 L HN 0.295 nan 8.230 nan 0.000 0.432 465 A N -0.080 122.693 122.820 -0.079 0.000 1.883 465 A HA -0.295 4.025 4.320 0.000 0.000 0.217 465 A C 2.262 179.775 177.584 -0.120 0.000 1.186 465 A CA 2.053 54.038 52.037 -0.088 0.000 0.624 465 A CB -0.578 18.397 19.000 -0.042 0.000 0.822 465 A HN 0.406 nan 8.150 nan 0.000 0.444 466 Q N -0.608 119.138 119.800 -0.089 0.000 2.084 466 Q HA -0.059 4.281 4.340 0.000 0.000 0.202 466 Q C 2.004 177.911 176.000 -0.155 0.000 0.978 466 Q CA 2.047 57.796 55.803 -0.090 0.000 0.844 466 Q CB -0.400 28.309 28.738 -0.049 0.000 0.898 466 Q HN 0.671 nan 8.270 nan 0.000 0.426 467 M N -1.092 118.415 119.600 -0.154 0.000 2.175 467 M HA -0.148 4.332 4.480 0.000 0.000 0.264 467 M C 2.114 178.218 176.300 -0.326 0.000 1.063 467 M CA 1.325 56.514 55.300 -0.185 0.000 1.119 467 M CB -0.116 32.422 32.600 -0.104 0.000 1.377 467 M HN 0.334 nan 8.290 nan 0.000 0.415 468 M N -0.668 118.685 119.600 -0.411 0.000 2.065 468 M HA -0.284 4.196 4.480 0.000 0.000 0.259 468 M C 2.160 177.874 176.300 -0.977 0.000 1.069 468 M CA 1.921 56.723 55.300 -0.830 0.000 1.110 468 M CB -0.299 31.826 32.600 -0.791 0.000 1.328 468 M HN 0.125 nan 8.290 nan 0.000 0.405 469 R N -0.141 120.039 120.500 -0.534 0.000 2.117 469 R HA -0.179 4.161 4.340 0.000 0.000 0.243 469 R C 1.615 177.606 176.300 -0.516 0.000 1.143 469 R CA 1.621 57.535 56.100 -0.310 0.000 0.968 469 R CB -0.197 30.042 30.300 -0.101 0.000 0.863 469 R HN 0.521 nan 8.270 nan 0.000 0.444 470 E N -1.152 118.681 120.200 -0.612 0.000 2.478 470 E HA -0.051 4.299 4.350 0.000 0.000 0.194 470 E C 1.350 177.613 176.600 -0.562 0.000 1.045 470 E CA 0.157 56.040 56.400 -0.861 0.000 0.868 470 E CB 0.331 29.745 29.700 -0.477 0.000 0.885 470 E HN 0.375 nan 8.360 nan 0.000 0.505 471 C N 0.023 119.064 119.300 -0.432 0.000 2.563 471 C HA 0.037 4.497 4.460 0.000 0.000 0.268 471 C C 1.138 176.200 174.990 0.121 0.000 1.365 471 C CA -0.353 58.555 59.018 -0.183 0.000 1.754 471 C CB -0.631 26.944 27.740 -0.276 0.000 1.932 471 C HN 0.568 nan 8.230 nan 0.000 0.536 472 W N -0.737 120.470 121.300 -0.155 0.000 3.123 472 W HA 0.381 5.041 4.660 0.000 0.000 0.383 472 W C 0.023 176.711 176.519 0.283 0.000 1.102 472 W CA -1.326 56.003 57.345 -0.026 0.000 1.865 472 W CB -1.246 28.045 29.460 -0.282 0.000 1.111 472 W HN 0.212 nan 8.180 nan 0.000 0.621 473 Y N 2.670 123.163 120.300 0.321 0.000 2.620 473 Y HA 0.044 4.594 4.550 0.000 0.000 0.330 473 Y C -0.822 175.200 175.900 0.203 0.000 1.186 473 Y CA -2.430 55.790 58.100 0.199 0.000 1.467 473 Y CB -0.420 38.090 38.460 0.083 0.000 1.262 473 Y HN -0.136 nan 8.280 nan 0.000 0.550 474 P HA -0.180 nan 4.420 nan 0.000 0.216 474 P C 0.209 177.538 177.300 0.047 0.000 1.150 474 P CA 1.366 64.553 63.100 0.145 0.000 0.837 474 P CB 0.160 31.908 31.700 0.081 0.000 0.786 475 N N -0.132 118.580 118.700 0.019 0.000 2.402 475 N HA 0.036 4.776 4.740 0.000 0.000 0.252 475 N C -1.719 173.711 175.510 -0.134 0.000 1.118 475 N CA -1.310 51.697 53.050 -0.073 0.000 0.945 475 N CB 0.935 39.364 38.487 -0.098 0.000 1.147 475 N HN -0.099 nan 8.380 nan 0.000 0.495 476 P HA -0.158 nan 4.420 nan 0.000 0.217 476 P C 1.137 177.800 177.300 -1.061 0.000 1.148 476 P CA 1.300 64.145 63.100 -0.425 0.000 0.828 476 P CB 0.128 31.645 31.700 -0.306 0.000 0.783 477 S N -1.155 113.897 115.700 -1.080 0.000 2.522 477 S HA 0.102 4.572 4.470 0.000 0.000 0.227 477 S C 1.891 176.231 174.600 -0.433 0.000 0.986 477 S CA 0.670 58.199 58.200 -1.117 0.000 0.929 477 S CB -0.911 61.886 63.200 -0.671 0.000 0.769 477 S HN 0.115 nan 8.310 nan 0.000 0.529 478 A N 1.339 124.014 122.820 -0.242 0.000 2.208 478 A HA 0.230 4.550 4.320 0.000 0.000 0.209 478 A C 1.163 178.847 177.584 0.166 0.000 1.161 478 A CA -0.208 51.842 52.037 0.022 0.000 0.782 478 A CB -0.160 18.883 19.000 0.071 0.000 0.816 478 A HN 0.456 nan 8.150 nan 0.000 0.477 479 R N -0.492 120.009 120.500 0.002 0.000 2.615 479 R HA 0.475 4.815 4.340 0.000 0.000 0.270 479 R C -0.415 175.922 176.300 0.063 0.000 1.081 479 R CA -0.526 55.589 56.100 0.025 0.000 1.154 479 R CB 0.508 30.842 30.300 0.057 0.000 1.063 479 R HN 0.302 nan 8.270 nan 0.000 0.519 480 L N 1.353 122.585 121.223 0.016 0.000 2.467 480 L HA 0.075 4.415 4.340 0.000 0.000 0.270 480 L C 1.102 178.022 176.870 0.082 0.000 1.205 480 L CA 0.006 54.862 54.840 0.027 0.000 0.828 480 L CB 0.509 42.539 42.059 -0.048 0.000 1.101 480 L HN 0.781 nan 8.230 nan 0.000 0.479 481 T N -1.052 113.550 114.554 0.080 0.000 2.847 481 T HA 0.372 4.722 4.350 0.000 0.000 0.279 481 T C 1.033 175.704 174.700 -0.047 0.000 0.984 481 T CA -0.222 61.928 62.100 0.083 0.000 0.988 481 T CB 1.529 70.454 68.868 0.095 0.000 1.040 481 T HN 0.635 nan 8.240 nan 0.000 0.528 482 A N 0.462 123.222 122.820 -0.100 0.000 1.930 482 A HA 0.055 4.375 4.320 0.000 0.000 0.217 482 A C 2.172 179.637 177.584 -0.199 0.000 1.175 482 A CA 0.986 52.846 52.037 -0.294 0.000 0.627 482 A CB -1.011 17.715 19.000 -0.456 0.000 0.815 482 A HN 0.708 nan 8.150 nan 0.000 0.443 483 L N -0.298 120.869 121.223 -0.092 0.000 2.012 483 L HA -0.148 4.192 4.340 0.000 0.000 0.210 483 L C 2.527 179.367 176.870 -0.050 0.000 1.073 483 L CA 2.370 57.178 54.840 -0.053 0.000 0.748 483 L CB -0.657 41.398 42.059 -0.007 0.000 0.891 483 L HN 0.479 nan 8.230 nan 0.000 0.431 484 R N -0.390 120.087 120.500 -0.039 0.000 2.096 484 R HA -0.112 4.228 4.340 0.000 0.000 0.235 484 R C 2.170 178.437 176.300 -0.055 0.000 1.127 484 R CA 1.587 57.669 56.100 -0.029 0.000 0.968 484 R CB -0.500 29.796 30.300 -0.008 0.000 0.861 484 R HN 0.419 nan 8.270 nan 0.000 0.440 485 I N 0.590 121.097 120.570 -0.106 0.000 2.142 485 I HA -0.287 3.883 4.170 0.000 0.000 0.240 485 I C 2.485 178.548 176.117 -0.091 0.000 1.078 485 I CA 1.565 62.788 61.300 -0.128 0.000 1.343 485 I CB -0.447 37.391 38.000 -0.269 0.000 1.046 485 I HN 0.261 nan 8.210 nan 0.000 0.405 486 K N 1.620 121.953 120.400 -0.112 0.000 2.032 486 K HA -0.290 4.030 4.320 0.000 0.000 0.218 486 K C 2.137 178.725 176.600 -0.020 0.000 1.054 486 K CA 2.050 58.304 56.287 -0.055 0.000 0.941 486 K CB -0.088 32.379 32.500 -0.055 0.000 0.720 486 K HN 0.215 nan 8.250 nan 0.000 0.449 487 K N -0.391 119.996 120.400 -0.020 0.000 2.026 487 K HA -0.107 4.213 4.320 0.000 0.000 0.208 487 K C 2.205 178.803 176.600 -0.002 0.000 1.048 487 K CA 2.064 58.348 56.287 -0.005 0.000 0.929 487 K CB -0.246 32.253 32.500 -0.002 0.000 0.713 487 K HN 0.252 nan 8.250 nan 0.000 0.439 488 T N 1.926 116.475 114.554 -0.009 0.000 2.720 488 T HA -0.108 4.242 4.350 0.000 0.000 0.268 488 T C 1.579 176.281 174.700 0.003 0.000 1.037 488 T CA 1.078 63.175 62.100 -0.005 0.000 1.144 488 T CB -0.127 68.733 68.868 -0.014 0.000 0.864 488 T HN 0.126 nan 8.240 nan 0.000 0.444 489 L N 0.868 122.095 121.223 0.008 0.000 2.650 489 L HA 0.103 4.443 4.340 0.000 0.000 0.235 489 L C 1.180 178.065 176.870 0.024 0.000 1.149 489 L CA 0.618 55.472 54.840 0.023 0.000 0.887 489 L CB -0.310 41.775 42.059 0.042 0.000 1.021 489 L HN 0.235 nan 8.230 nan 0.000 0.441 490 Q N -0.021 119.789 119.800 0.016 0.000 2.715 490 Q HA 0.195 4.535 4.340 0.000 0.000 0.399 490 Q C 0.184 176.191 176.000 0.011 0.000 1.017 490 Q CA -0.058 55.755 55.803 0.016 0.000 1.077 490 Q CB 0.656 29.404 28.738 0.016 0.000 1.350 490 Q HN 0.337 nan 8.270 nan 0.000 0.421 491 K N -0.482 119.925 120.400 0.010 0.000 2.937 491 K HA 0.156 4.476 4.320 0.000 0.000 0.194 491 K C 1.254 177.857 176.600 0.006 0.000 1.589 491 K CA 0.526 56.817 56.287 0.006 0.000 1.303 491 K CB 0.340 32.842 32.500 0.004 0.000 1.864 491 K HN 0.168 nan 8.250 nan 0.000 0.608 492 I N 2.770 123.346 120.570 0.009 0.000 3.518 492 I HA 0.131 4.301 4.170 0.000 0.000 0.305 492 I C 0.495 176.621 176.117 0.015 0.000 1.204 492 I CA 0.591 61.897 61.300 0.010 0.000 1.211 492 I CB -1.668 36.340 38.000 0.013 0.000 1.018 492 I HN 0.261 nan 8.210 nan 0.000 0.500 493 S N 0.000 115.706 115.700 0.010 0.000 2.498 493 S HA 0.000 4.470 4.470 0.000 0.000 0.327 493 S CA 0.000 58.205 58.200 0.009 0.000 1.107 493 S CB 0.000 63.218 63.200 0.030 0.000 0.593 493 S HN 0.000 nan 8.310 nan 0.000 0.517