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_L 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 IASDMTXXXX 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 0.000 176.311 176.300 0.019 0.000 1.140 0 M CA 0.000 55.325 55.300 0.041 0.000 0.988 0 M CB 0.000 32.638 32.600 0.063 0.000 1.302 196 R N 1.155 121.652 120.500 -0.004 0.000 2.090 196 R HA -0.053 4.287 4.340 0.001 0.000 0.228 196 R C 2.112 178.406 176.300 -0.011 0.000 1.110 196 R CA 2.189 58.283 56.100 -0.010 0.000 0.973 196 R CB -1.728 28.572 30.300 -0.000 0.000 0.869 196 R HN 0.447 nan 8.270 nan 0.000 0.440 197 T N -1.440 113.127 114.554 0.021 0.000 2.777 197 T HA -0.116 4.234 4.350 0.001 0.000 0.266 197 T C 2.096 176.843 174.700 0.078 0.000 1.040 197 T CA 1.387 63.524 62.100 0.063 0.000 1.141 197 T CB -0.658 68.276 68.868 0.110 0.000 0.868 197 T HN 0.133 nan 8.240 nan 0.000 0.444 198 V N 2.825 122.753 119.914 0.024 0.000 2.250 198 V HA -0.230 3.890 4.120 0.001 0.000 0.253 198 V C 3.235 179.223 176.094 -0.177 0.000 1.065 198 V CA 2.063 64.242 62.300 -0.201 0.000 1.039 198 V CB -1.542 29.949 31.823 -0.553 0.000 0.647 198 V HN 0.721 nan 8.190 nan 0.000 0.446 199 A N -0.372 122.391 122.820 -0.094 0.000 2.119 199 A HA -0.031 4.290 4.320 0.001 0.000 0.217 199 A C 2.408 179.987 177.584 -0.009 0.000 1.153 199 A CA 1.767 53.810 52.037 0.009 0.000 0.692 199 A CB -0.556 18.444 19.000 -0.001 0.000 0.799 199 A HN 0.575 nan 8.150 nan 0.000 0.458 200 R N -0.511 119.979 120.500 -0.017 0.000 2.140 200 R HA 0.100 4.441 4.340 0.001 0.000 0.213 200 R C 1.900 178.226 176.300 0.043 0.000 1.059 200 R CA 1.365 57.457 56.100 -0.014 0.000 1.000 200 R CB -0.855 29.439 30.300 -0.009 0.000 0.910 200 R HN 0.716 nan 8.270 nan 0.000 0.455 201 Q N -0.227 119.628 119.800 0.092 0.000 2.354 201 Q HA 0.183 4.523 4.340 0.001 0.000 0.203 201 Q C 0.139 176.222 176.000 0.138 0.000 0.933 201 Q CA 0.080 55.955 55.803 0.119 0.000 0.901 201 Q CB 0.648 29.495 28.738 0.181 0.000 1.007 201 Q HN 0.371 nan 8.270 nan 0.000 0.495 202 V N 1.932 121.939 119.914 0.154 0.000 2.540 202 V HA 0.091 4.212 4.120 0.001 0.000 0.297 202 V C 0.140 176.295 176.094 0.102 0.000 1.024 202 V CA -0.158 62.227 62.300 0.140 0.000 1.105 202 V CB 0.532 32.411 31.823 0.092 0.000 0.938 202 V HN 0.178 nan 8.190 nan 0.000 0.482 203 A N 6.711 129.567 122.820 0.060 0.000 2.301 203 A HA 0.740 5.060 4.320 0.001 0.000 0.312 203 A C -0.474 177.107 177.584 -0.005 0.000 1.182 203 A CA -0.623 51.429 52.037 0.026 0.000 0.826 203 A CB 0.450 19.460 19.000 0.018 0.000 1.134 203 A HN 0.811 nan 8.150 nan 0.000 0.501 204 L N 3.450 124.642 121.223 -0.050 0.000 2.276 204 L HA 0.333 4.674 4.340 0.001 0.000 0.286 204 L C 0.553 177.475 176.870 0.086 0.000 1.061 204 L CA -0.468 54.331 54.840 -0.069 0.000 0.807 204 L CB 1.406 43.214 42.059 -0.417 0.000 1.177 204 L HN 0.610 nan 8.230 nan 0.000 0.429 205 V N 1.400 121.430 119.914 0.192 0.000 2.911 205 V HA 0.147 4.267 4.120 0.001 0.000 0.237 205 V C 0.270 176.495 176.094 0.218 0.000 1.156 205 V CA 0.285 62.683 62.300 0.163 0.000 1.180 205 V CB 0.583 32.435 31.823 0.049 0.000 0.932 205 V HN 0.824 nan 8.190 nan 0.000 0.483 206 E N -0.665 119.644 120.200 0.181 0.000 2.290 206 E HA 0.310 4.660 4.350 0.001 0.000 0.274 206 E C -1.438 174.938 176.600 -0.372 0.000 0.889 206 E CA -0.523 55.839 56.400 -0.065 0.000 0.760 206 E CB 2.028 31.688 29.700 -0.068 0.000 1.206 206 E HN 0.274 nan 8.360 nan 0.000 0.419 207 C N 5.699 124.426 119.300 -0.954 0.000 2.349 207 C HA 0.346 4.806 4.460 0.001 0.000 0.348 207 C C 1.306 175.966 174.990 -0.549 0.000 1.223 207 C CA -0.138 58.099 59.018 -1.301 0.000 1.746 207 C CB -0.918 25.889 27.740 -1.555 0.000 2.360 207 C HN 0.624 nan 8.230 nan 0.000 0.533 208 V N 4.169 123.885 119.914 -0.330 0.000 3.578 208 V HA 0.569 4.690 4.120 0.001 0.000 0.290 208 V C 0.749 176.806 176.094 -0.062 0.000 1.376 208 V CA 0.699 62.933 62.300 -0.111 0.000 1.083 208 V CB -0.460 31.391 31.823 0.047 0.000 0.911 208 V HN 1.056 nan 8.190 nan 0.000 0.433 209 G N -0.697 108.044 108.800 -0.098 0.000 2.732 209 G HA2 0.722 4.682 3.960 0.001 0.000 0.296 209 G HA3 0.722 4.682 3.960 0.001 0.000 0.296 209 G C -1.264 173.626 174.900 -0.017 0.000 1.448 209 G CA 0.043 45.149 45.100 0.009 0.000 0.911 209 G HN 0.646 nan 8.290 nan 0.000 0.528 210 K N -0.646 119.733 120.400 -0.035 0.000 2.523 210 K HA 1.017 5.338 4.320 0.001 0.000 0.257 210 K C 0.017 176.426 176.600 -0.318 0.000 0.932 210 K CA 0.012 56.191 56.287 -0.180 0.000 0.812 210 K CB 1.876 34.297 32.500 -0.133 0.000 1.326 210 K HN 2.494 nan 8.250 nan 0.000 0.433 211 G N -1.213 107.221 108.800 -0.611 0.000 2.427 211 G HA2 0.543 4.504 3.960 0.001 0.000 0.306 211 G HA3 0.543 4.504 3.960 0.001 0.000 0.306 211 G C 0.669 175.248 174.900 -0.535 0.000 1.280 211 G CA 0.955 45.705 45.100 -0.582 0.000 0.837 211 G HN 1.321 nan 8.290 nan 0.000 0.482 212 R N -1.247 119.078 120.500 -0.292 0.000 2.189 212 R HA 0.076 4.417 4.340 0.001 0.000 0.223 212 R C 2.236 178.500 176.300 -0.060 0.000 1.092 212 R CA 2.527 58.561 56.100 -0.110 0.000 0.989 212 R CB -1.680 28.627 30.300 0.010 0.000 0.876 212 R HN 1.148 nan 8.270 nan 0.000 0.457 213 Y N -2.016 118.302 120.300 0.031 0.000 2.421 213 Y HA 0.333 4.883 4.550 0.001 0.000 0.292 213 Y C 1.265 177.152 175.900 -0.022 0.000 1.136 213 Y CA -0.074 58.038 58.100 0.021 0.000 1.255 213 Y CB -0.232 38.212 38.460 -0.027 0.000 0.991 213 Y HN 0.521 nan 8.280 nan 0.000 0.552 214 G N -0.191 108.420 108.800 -0.314 0.000 2.204 214 G HA2 0.030 3.991 3.960 0.001 0.000 0.153 214 G HA3 0.030 3.991 3.960 0.001 0.000 0.153 214 G C -1.351 173.409 174.900 -0.234 0.000 1.295 214 G CA -0.370 44.648 45.100 -0.136 0.000 1.257 214 G HN 0.319 nan 8.290 nan 0.000 0.495 215 E N -1.190 119.028 120.200 0.029 0.000 2.356 215 E HA 0.577 4.927 4.350 0.001 0.000 0.275 215 E C -1.348 175.383 176.600 0.218 0.000 0.904 215 E CA -0.818 55.649 56.400 0.112 0.000 0.757 215 E CB 3.170 32.984 29.700 0.190 0.000 1.232 215 E HN 0.427 nan 8.360 nan 0.000 0.442 216 V N 1.900 121.923 119.914 0.182 0.000 2.459 216 V HA 0.448 4.568 4.120 0.001 0.000 0.295 216 V C -1.162 174.980 176.094 0.080 0.000 1.029 216 V CA -0.669 61.721 62.300 0.149 0.000 0.874 216 V CB 0.879 32.766 31.823 0.107 0.000 0.985 216 V HN 0.597 nan 8.190 nan 0.000 0.438 217 W N 2.881 124.137 121.300 -0.073 0.000 2.761 217 W HA 0.642 5.302 4.660 0.001 0.000 0.340 217 W C 0.188 176.638 176.519 -0.116 0.000 1.072 217 W CA -0.749 56.538 57.345 -0.098 0.000 1.215 217 W CB 1.454 30.808 29.460 -0.178 0.000 1.420 217 W HN 0.380 nan 8.180 nan 0.000 0.519 218 R N 1.605 122.129 120.500 0.039 0.000 2.340 218 R HA 0.617 4.958 4.340 0.001 0.000 0.300 218 R C 0.094 176.326 176.300 -0.113 0.000 1.069 218 R CA -0.020 55.910 56.100 -0.284 0.000 0.984 218 R CB 0.273 30.251 30.300 -0.538 0.000 1.003 218 R HN 0.727 nan 8.270 nan 0.000 0.459 219 G N 3.102 111.804 108.800 -0.163 0.000 2.574 219 G HA2 0.462 4.422 3.960 0.001 0.000 0.299 219 G HA3 0.462 4.422 3.960 0.001 0.000 0.299 219 G C -1.949 172.920 174.900 -0.051 0.000 1.298 219 G CA -0.715 44.343 45.100 -0.069 0.000 0.952 219 G HN 0.475 nan 8.290 nan 0.000 0.477 220 L N 0.750 121.975 121.223 0.004 0.000 2.296 220 L HA 0.823 5.164 4.340 0.001 0.000 0.286 220 L C -1.537 175.407 176.870 0.124 0.000 1.023 220 L CA -1.024 53.839 54.840 0.037 0.000 0.812 220 L CB 1.384 43.447 42.059 0.007 0.000 1.223 220 L HN 0.599 nan 8.230 nan 0.000 0.421 221 W N 5.820 127.071 121.300 -0.081 0.000 2.687 221 W HA 0.388 5.049 4.660 0.001 0.000 0.328 221 W C -0.287 176.192 176.519 -0.066 0.000 1.012 221 W CA -0.570 56.694 57.345 -0.135 0.000 1.262 221 W CB 0.255 29.665 29.460 -0.083 0.000 1.331 221 W HN 0.771 nan 8.180 nan 0.000 0.433 222 H N 4.699 123.539 119.070 -0.384 0.000 2.496 222 H HA -0.133 4.424 4.556 0.001 0.000 0.323 222 H C 1.514 176.691 175.328 -0.250 0.000 1.054 222 H CA 1.807 57.599 56.048 -0.426 0.000 1.095 222 H CB -0.834 28.466 29.762 -0.768 0.000 1.595 222 H HN 1.120 nan 8.280 nan 0.000 0.388 223 G N -0.575 108.196 108.800 -0.048 0.000 2.458 223 G HA2 -0.364 3.597 3.960 0.001 0.000 0.237 223 G HA3 -0.364 3.597 3.960 0.001 0.000 0.237 223 G C 0.406 175.303 174.900 -0.005 0.000 1.113 223 G CA 0.516 45.601 45.100 -0.026 0.000 0.655 223 G HN 0.586 nan 8.290 nan 0.000 0.513 224 E N 0.835 121.043 120.200 0.013 0.000 2.345 224 E HA 0.540 4.891 4.350 0.001 0.000 0.259 224 E C -0.245 176.402 176.600 0.078 0.000 1.117 224 E CA -0.050 56.382 56.400 0.054 0.000 0.913 224 E CB 0.945 30.702 29.700 0.094 0.000 1.057 224 E HN 0.220 nan 8.360 nan 0.000 0.432 225 S N 0.758 116.495 115.700 0.062 0.000 2.508 225 S HA 0.375 4.845 4.470 0.001 0.000 0.284 225 S C -0.376 174.268 174.600 0.073 0.000 1.192 225 S CA -0.804 57.405 58.200 0.015 0.000 1.070 225 S CB 1.043 64.236 63.200 -0.012 0.000 1.004 225 S HN 0.380 nan 8.310 nan 0.000 0.493 226 V N 0.006 119.932 119.914 0.021 0.000 3.001 226 V HA 1.010 5.130 4.120 0.001 0.000 0.314 226 V C -0.331 175.779 176.094 0.028 0.000 1.099 226 V CA -1.396 60.943 62.300 0.065 0.000 0.989 226 V CB 1.433 33.279 31.823 0.038 0.000 1.040 226 V HN 0.884 nan 8.190 nan 0.000 0.434 227 A N 1.933 124.821 122.820 0.113 0.000 2.290 227 A HA 0.807 5.127 4.320 0.001 0.000 0.310 227 A C -0.494 177.103 177.584 0.021 0.000 1.202 227 A CA -0.588 51.533 52.037 0.140 0.000 0.837 227 A CB 1.148 20.273 19.000 0.208 0.000 1.139 227 A HN 1.417 nan 8.150 nan 0.000 0.509 228 V N 3.642 123.544 119.914 -0.020 0.000 2.304 228 V HA 0.271 4.391 4.120 0.001 0.000 0.278 228 V C 0.191 176.216 176.094 -0.115 0.000 1.018 228 V CA -0.578 61.629 62.300 -0.156 0.000 0.814 228 V CB 1.069 32.628 31.823 -0.439 0.000 1.021 228 V HN 0.896 nan 8.190 nan 0.000 0.440 229 K N 5.679 126.059 120.400 -0.033 0.000 2.284 229 K HA 0.496 4.817 4.320 0.001 0.000 0.287 229 K C -0.618 175.972 176.600 -0.016 0.000 1.081 229 K CA -0.403 55.866 56.287 -0.029 0.000 0.910 229 K CB 0.488 32.947 32.500 -0.068 0.000 1.088 229 K HN 0.630 nan 8.250 nan 0.000 0.478 230 I N 5.869 126.402 120.570 -0.061 0.000 2.312 230 I HA 0.162 4.332 4.170 0.001 0.000 0.291 230 I C -0.169 176.035 176.117 0.145 0.000 1.031 230 I CA -0.606 60.722 61.300 0.048 0.000 1.293 230 I CB 0.381 38.361 38.000 -0.032 0.000 1.403 230 I HN 0.439 nan 8.210 nan 0.000 0.484 231 F N 4.048 124.105 119.950 0.178 0.000 2.389 231 F HA 0.208 4.736 4.527 0.001 0.000 0.337 231 F C 1.268 177.139 175.800 0.119 0.000 1.112 231 F CA -0.191 57.920 58.000 0.185 0.000 1.192 231 F CB 1.172 40.294 39.000 0.203 0.000 1.185 231 F HN 0.485 nan 8.300 nan 0.000 0.552 232 S N 0.230 116.090 115.700 0.266 0.000 2.614 232 S HA 0.119 4.589 4.470 0.001 0.000 0.265 232 S C 1.097 175.797 174.600 0.167 0.000 1.303 232 S CA -0.248 58.050 58.200 0.163 0.000 1.000 232 S CB 1.283 64.542 63.200 0.099 0.000 0.935 232 S HN 0.731 nan 8.310 nan 0.000 0.551 233 S N 1.192 116.953 115.700 0.102 0.000 2.399 233 S HA -0.140 4.330 4.470 0.001 0.000 0.231 233 S C 2.092 176.745 174.600 0.089 0.000 1.022 233 S CA 0.915 59.161 58.200 0.076 0.000 0.983 233 S CB -1.130 62.096 63.200 0.043 0.000 0.803 233 S HN 1.069 nan 8.310 nan 0.000 0.480 234 R N 0.798 121.356 120.500 0.098 0.000 2.316 234 R HA 0.155 4.496 4.340 0.001 0.000 0.202 234 R C 1.362 177.748 176.300 0.143 0.000 1.029 234 R CA 1.378 57.538 56.100 0.101 0.000 1.018 234 R CB -1.075 29.277 30.300 0.086 0.000 0.888 234 R HN 0.562 nan 8.270 nan 0.000 0.471 235 D N -1.043 119.478 120.400 0.202 0.000 2.599 235 D HA 0.117 4.757 4.640 0.001 0.000 0.249 235 D C 0.783 177.272 176.300 0.316 0.000 1.313 235 D CA -0.186 53.987 54.000 0.288 0.000 0.815 235 D CB 0.174 41.210 40.800 0.393 0.000 1.077 235 D HN 0.571 nan 8.370 nan 0.000 0.492 236 E N -0.207 120.115 120.200 0.204 0.000 2.118 236 E HA -0.198 4.152 4.350 0.001 0.000 0.195 236 E C 1.557 178.283 176.600 0.210 0.000 0.992 236 E CA 0.864 57.355 56.400 0.152 0.000 0.804 236 E CB 0.221 29.962 29.700 0.068 0.000 0.741 236 E HN 0.343 nan 8.360 nan 0.000 0.458 237 Q N -0.015 119.894 119.800 0.181 0.000 2.224 237 Q HA -0.057 4.283 4.340 0.001 0.000 0.203 237 Q C 2.238 178.364 176.000 0.209 0.000 0.970 237 Q CA 0.743 56.663 55.803 0.195 0.000 0.865 237 Q CB 0.096 28.914 28.738 0.133 0.000 0.922 237 Q HN 0.149 nan 8.270 nan 0.000 0.445 238 S N 0.212 116.034 115.700 0.202 0.000 2.368 238 S HA -0.144 4.327 4.470 0.001 0.000 0.224 238 S C 1.286 175.910 174.600 0.040 0.000 1.029 238 S CA 0.868 59.185 58.200 0.195 0.000 0.988 238 S CB -0.335 63.095 63.200 0.384 0.000 0.838 238 S HN 0.580 nan 8.310 nan 0.000 0.462 239 W N 1.461 122.468 121.300 -0.489 0.000 2.358 239 W HA -0.170 4.491 4.660 0.001 0.000 0.303 239 W C 1.766 178.146 176.519 -0.231 0.000 1.208 239 W CA 1.117 57.956 57.345 -0.844 0.000 1.274 239 W CB -0.503 28.272 29.460 -1.140 0.000 1.138 239 W HN 0.268 nan 8.180 nan 0.000 0.515 240 F N 1.657 121.524 119.950 -0.139 0.000 2.102 240 F HA -0.133 4.394 4.527 0.001 0.000 0.298 240 F C 2.610 178.218 175.800 -0.319 0.000 1.105 240 F CA 2.417 60.240 58.000 -0.294 0.000 1.239 240 F CB -0.884 38.129 39.000 0.022 0.000 0.991 240 F HN -0.197 nan 8.300 nan 0.000 0.474 241 R N 0.765 121.175 120.500 -0.148 0.000 2.096 241 R HA -0.159 4.182 4.340 0.001 0.000 0.235 241 R C 2.229 178.337 176.300 -0.319 0.000 1.127 241 R CA 1.988 57.952 56.100 -0.226 0.000 0.968 241 R CB -0.727 29.533 30.300 -0.066 0.000 0.861 241 R HN 0.476 nan 8.270 nan 0.000 0.440 242 E N -1.474 118.563 120.200 -0.272 0.000 2.107 242 E HA -0.104 4.247 4.350 0.001 0.000 0.191 242 E C 1.313 177.728 176.600 -0.308 0.000 0.982 242 E CA 1.496 57.753 56.400 -0.237 0.000 0.809 242 E CB 0.095 29.792 29.700 -0.006 0.000 0.756 242 E HN 0.321 nan 8.360 nan 0.000 0.459 243 T N 0.338 114.581 114.554 -0.518 0.000 2.777 243 T HA -0.133 4.217 4.350 0.001 0.000 0.266 243 T C 1.551 175.925 174.700 -0.543 0.000 1.040 243 T CA 1.310 63.055 62.100 -0.591 0.000 1.141 243 T CB -0.133 68.131 68.868 -1.006 0.000 0.868 243 T HN 0.118 nan 8.240 nan 0.000 0.444 244 E N 0.911 120.738 120.200 -0.623 0.000 2.031 244 E HA -0.040 4.310 4.350 0.001 0.000 0.193 244 E C 2.049 178.416 176.600 -0.389 0.000 0.994 244 E CA 1.040 57.123 56.400 -0.527 0.000 0.800 244 E CB -0.355 28.990 29.700 -0.591 0.000 0.752 244 E HN 0.455 nan 8.360 nan 0.000 0.447 245 I N -0.374 119.958 120.570 -0.396 0.000 2.226 245 I HA -0.288 3.882 4.170 0.001 0.000 0.245 245 I C 1.807 177.694 176.117 -0.383 0.000 1.100 245 I CA 1.123 62.199 61.300 -0.372 0.000 1.374 245 I CB -0.262 37.483 38.000 -0.426 0.000 1.057 245 I HN 0.218 nan 8.210 nan 0.000 0.413 246 Y N 0.912 120.917 120.300 -0.491 0.000 2.293 246 Y HA -0.140 4.411 4.550 0.001 0.000 0.291 246 Y C 2.315 177.837 175.900 -0.631 0.000 1.137 246 Y CA 1.060 58.742 58.100 -0.696 0.000 1.202 246 Y CB -0.479 37.146 38.460 -1.391 0.000 0.990 246 Y HN 0.224 nan 8.280 nan 0.000 0.537 247 N N -1.663 116.819 118.700 -0.363 0.000 2.422 247 N HA -0.032 4.708 4.740 0.001 0.000 0.181 247 N C 1.279 176.712 175.510 -0.128 0.000 1.080 247 N CA 1.006 53.938 53.050 -0.197 0.000 0.893 247 N CB 0.149 38.535 38.487 -0.168 0.000 0.973 247 N HN 0.244 nan 8.380 nan 0.000 0.456 248 T N -0.631 113.829 114.554 -0.156 0.000 2.978 248 T HA 0.227 4.577 4.350 0.001 0.000 0.248 248 T C 0.438 175.081 174.700 -0.094 0.000 1.018 248 T CA 0.081 62.109 62.100 -0.120 0.000 1.026 248 T CB 1.099 69.878 68.868 -0.150 0.000 1.032 248 T HN -0.217 nan 8.240 nan 0.000 0.485 249 V N 2.881 122.731 119.914 -0.107 0.000 2.417 249 V HA 0.425 4.546 4.120 0.001 0.000 0.291 249 V C -0.250 175.827 176.094 -0.028 0.000 1.024 249 V CA -0.882 61.370 62.300 -0.080 0.000 0.861 249 V CB 1.661 33.412 31.823 -0.120 0.000 0.985 249 V HN 0.333 nan 8.190 nan 0.000 0.436 250 L N 5.494 126.719 121.223 0.003 0.000 2.536 250 L HA 0.125 4.466 4.340 0.001 0.000 0.282 250 L C 0.701 177.626 176.870 0.092 0.000 1.147 250 L CA 0.184 55.054 54.840 0.052 0.000 0.936 250 L CB 0.289 42.380 42.059 0.053 0.000 1.279 250 L HN 0.586 nan 8.230 nan 0.000 0.461 251 L N 2.443 123.745 121.223 0.132 0.000 2.781 251 L HA 0.233 4.574 4.340 0.001 0.000 0.245 251 L C 1.193 178.243 176.870 0.299 0.000 1.118 251 L CA 0.241 55.209 54.840 0.213 0.000 0.918 251 L CB -0.112 42.019 42.059 0.120 0.000 1.246 251 L HN 0.439 nan 8.230 nan 0.000 0.526 252 R N 1.123 121.755 120.500 0.221 0.000 2.523 252 R HA -0.037 4.304 4.340 0.001 0.000 0.281 252 R C -0.985 175.412 176.300 0.163 0.000 0.969 252 R CA 0.836 57.049 56.100 0.188 0.000 1.093 252 R CB -0.234 30.149 30.300 0.138 0.000 0.917 252 R HN 0.275 nan 8.270 nan 0.000 0.408 253 H N 2.624 121.697 119.070 0.005 0.000 3.121 253 H HA 0.045 4.601 4.556 0.001 0.000 0.337 253 H C -0.338 174.972 175.328 -0.030 0.000 1.198 253 H CA -0.555 55.414 56.048 -0.132 0.000 1.274 253 H CB 1.390 30.875 29.762 -0.462 0.000 1.954 253 H HN 0.574 nan 8.280 nan 0.000 0.531 254 D N 2.073 122.447 120.400 -0.044 0.000 2.228 254 D HA -0.131 4.509 4.640 0.001 0.000 0.203 254 D C 0.419 176.849 176.300 0.217 0.000 0.988 254 D CA 1.407 55.456 54.000 0.081 0.000 0.864 254 D CB 0.154 40.933 40.800 -0.036 0.000 0.928 254 D HN 0.513 nan 8.370 nan 0.000 0.469 255 N N -0.759 118.212 118.700 0.451 0.000 2.321 255 N HA 0.282 5.022 4.740 0.001 0.000 0.242 255 N C -0.499 175.076 175.510 0.110 0.000 1.141 255 N CA -0.046 53.116 53.050 0.187 0.000 0.864 255 N CB 1.084 39.638 38.487 0.112 0.000 1.100 255 N HN 0.085 nan 8.380 nan 0.000 0.510 256 I N 0.745 121.418 120.570 0.173 0.000 2.619 256 I HA 0.208 4.378 4.170 0.001 0.000 0.292 256 I C -0.911 175.344 176.117 0.230 0.000 1.100 256 I CA -1.210 60.202 61.300 0.186 0.000 1.043 256 I CB 2.317 40.436 38.000 0.198 0.000 1.239 256 I HN -0.069 nan 8.210 nan 0.000 0.420 257 L N 5.384 126.756 121.223 0.249 0.000 2.513 257 L HA 0.318 4.659 4.340 0.001 0.000 0.272 257 L C 0.684 177.660 176.870 0.175 0.000 1.187 257 L CA 0.516 55.506 54.840 0.250 0.000 0.895 257 L CB 0.434 42.639 42.059 0.244 0.000 1.147 257 L HN 0.675 nan 8.230 nan 0.000 0.483 258 G N 4.901 113.714 108.800 0.021 0.000 2.378 258 G HA2 0.182 4.142 3.960 0.001 0.000 0.255 258 G HA3 0.182 4.142 3.960 0.001 0.000 0.255 258 G C -0.794 173.828 174.900 -0.462 0.000 1.270 258 G CA -0.444 44.459 45.100 -0.329 0.000 0.876 258 G HN 0.658 nan 8.290 nan 0.000 0.521 259 F N 2.950 122.571 119.950 -0.548 0.000 2.394 259 F HA 0.553 5.081 4.527 0.001 0.000 0.340 259 F C 0.816 176.376 175.800 -0.401 0.000 1.105 259 F CA -0.884 56.725 58.000 -0.651 0.000 1.124 259 F CB 1.081 39.531 39.000 -0.917 0.000 1.145 259 F HN 0.310 nan 8.300 nan 0.000 0.505 260 I N 3.590 123.518 120.570 -1.070 0.000 3.366 260 I HA 0.421 4.591 4.170 0.001 0.000 0.267 260 I C 0.372 175.827 176.117 -1.104 0.000 1.149 260 I CA 0.089 60.892 61.300 -0.828 0.000 1.436 260 I CB 0.356 38.031 38.000 -0.541 0.000 1.379 260 I HN 0.646 nan 8.210 nan 0.000 0.460 261 A N -0.211 121.840 122.820 -1.282 0.000 2.586 261 A HA 0.711 5.031 4.320 0.001 0.000 0.290 261 A C -1.174 176.214 177.584 -0.326 0.000 1.086 261 A CA -0.331 51.255 52.037 -0.751 0.000 0.665 261 A CB 1.771 20.546 19.000 -0.376 0.000 1.279 261 A HN -0.045 nan 8.150 nan 0.000 0.423 262 S N -0.926 114.828 115.700 0.089 0.000 2.575 262 S HA 0.751 5.221 4.470 0.001 0.000 0.278 262 S C -0.804 173.992 174.600 0.328 0.000 1.139 262 S CA 0.770 59.167 58.200 0.328 0.000 0.954 262 S CB 1.251 64.643 63.200 0.320 0.000 1.054 262 S HN 1.924 nan 8.310 nan 0.000 0.483 263 D N 2.291 122.953 120.400 0.438 0.000 2.583 263 D HA 0.670 5.311 4.640 0.001 0.000 0.248 263 D C -0.953 175.436 176.300 0.149 0.000 1.209 263 D CA -0.581 53.563 54.000 0.241 0.000 0.848 263 D CB 1.741 42.569 40.800 0.047 0.000 1.431 263 D HN 0.640 nan 8.370 nan 0.000 0.436 264 M N 2.563 122.146 119.600 -0.028 0.000 2.023 264 M HA 0.412 4.893 4.480 0.001 0.000 0.325 264 M C 0.004 176.135 176.300 -0.282 0.000 0.963 264 M CA -0.361 54.824 55.300 -0.191 0.000 0.928 264 M CB 0.948 33.471 32.600 -0.127 0.000 1.429 264 M HN 0.766 nan 8.290 nan 0.000 0.404 271 T N 2.028 116.548 114.554 -0.056 0.000 3.011 271 T HA 0.675 5.025 4.350 0.001 0.000 0.303 271 T C -1.279 173.372 174.700 -0.082 0.000 0.997 271 T CA -0.370 61.678 62.100 -0.086 0.000 1.007 271 T CB 1.999 70.815 68.868 -0.087 0.000 1.017 271 T HN 0.325 nan 8.240 nan 0.000 0.443 272 Q N 1.711 121.439 119.800 -0.119 0.000 2.397 272 Q HA 0.655 4.996 4.340 0.001 0.000 0.275 272 Q C -1.527 174.372 176.000 -0.169 0.000 1.090 272 Q CA -1.117 54.647 55.803 -0.065 0.000 0.809 272 Q CB 2.063 30.840 28.738 0.064 0.000 1.362 272 Q HN 0.312 nan 8.270 nan 0.000 0.431 273 L N 1.723 122.877 121.223 -0.115 0.000 2.313 273 L HA 0.518 4.858 4.340 0.001 0.000 0.283 273 L C -1.235 175.801 176.870 0.277 0.000 1.013 273 L CA -0.401 54.191 54.840 -0.414 0.000 0.816 273 L CB 0.506 41.916 42.059 -1.082 0.000 1.236 273 L HN 0.558 nan 8.230 nan 0.000 0.419 274 W N 4.349 125.695 121.300 0.077 0.000 2.666 274 W HA 0.692 5.352 4.660 0.001 0.000 0.334 274 W C -0.753 176.091 176.519 0.543 0.000 1.051 274 W CA -0.996 56.530 57.345 0.302 0.000 1.224 274 W CB 1.698 31.242 29.460 0.140 0.000 1.405 274 W HN 0.229 nan 8.180 nan 0.000 0.513 275 L N 4.371 126.010 121.223 0.693 0.000 2.376 275 L HA 0.627 4.967 4.340 0.001 0.000 0.275 275 L C -1.173 175.839 176.870 0.236 0.000 0.987 275 L CA -0.369 54.782 54.840 0.519 0.000 0.828 275 L CB 0.880 43.340 42.059 0.667 0.000 1.249 275 L HN 0.299 nan 8.230 nan 0.000 0.409 276 I N 4.528 125.134 120.570 0.060 0.000 2.377 276 I HA 0.644 4.815 4.170 0.001 0.000 0.293 276 I C 0.275 176.261 176.117 -0.220 0.000 0.987 276 I CA -0.094 61.152 61.300 -0.089 0.000 1.185 276 I CB 1.929 39.838 38.000 -0.152 0.000 1.341 276 I HN 0.752 nan 8.210 nan 0.000 0.455 277 T N 0.323 114.795 114.554 -0.137 0.000 2.804 277 T HA 0.456 4.807 4.350 0.001 0.000 0.290 277 T C -0.265 174.398 174.700 -0.061 0.000 1.099 277 T CA -0.915 61.079 62.100 -0.176 0.000 1.011 277 T CB 0.739 69.556 68.868 -0.086 0.000 1.291 277 T HN 0.493 nan 8.240 nan 0.000 0.523 278 H N -0.625 118.398 119.070 -0.080 0.000 2.929 278 H HA 0.269 4.825 4.556 0.001 0.000 0.358 278 H C -1.061 174.160 175.328 -0.177 0.000 1.111 278 H CA -0.164 55.809 56.048 -0.125 0.000 1.409 278 H CB 0.306 29.966 29.762 -0.170 0.000 1.373 278 H HN 0.536 nan 8.280 nan 0.000 0.610 279 Y N 1.407 121.586 120.300 -0.201 0.000 2.360 279 Y HA 0.233 4.784 4.550 0.001 0.000 0.337 279 Y C -0.857 174.796 175.900 -0.412 0.000 1.039 279 Y CA -0.897 57.072 58.100 -0.218 0.000 1.109 279 Y CB 0.813 39.224 38.460 -0.082 0.000 1.201 279 Y HN 0.627 nan 8.280 nan 0.000 0.458 280 H N 4.274 122.975 119.070 -0.615 0.000 2.727 280 H HA 0.252 4.809 4.556 0.001 0.000 0.330 280 H C 0.486 175.377 175.328 -0.728 0.000 0.986 280 H CA -0.582 55.170 56.048 -0.494 0.000 1.251 280 H CB 1.641 31.258 29.762 -0.240 0.000 1.493 280 H HN 0.794 nan 8.280 nan 0.000 0.515 281 E N 1.505 121.452 120.200 -0.420 0.000 2.118 281 E HA -0.202 4.148 4.350 0.001 0.000 0.195 281 E C 0.751 177.294 176.600 -0.094 0.000 0.992 281 E CA 1.091 57.339 56.400 -0.253 0.000 0.804 281 E CB 0.075 29.706 29.700 -0.115 0.000 0.741 281 E HN 0.731 nan 8.360 nan 0.000 0.458 282 H N -0.283 118.762 119.070 -0.042 0.000 2.545 282 H HA 0.010 4.566 4.556 0.001 0.000 0.282 282 H C 1.249 176.590 175.328 0.020 0.000 1.020 282 H CA -0.070 55.998 56.048 0.034 0.000 1.243 282 H CB 0.151 29.922 29.762 0.015 0.000 1.377 282 H HN 0.260 nan 8.280 nan 0.000 0.581 283 G N 0.298 109.126 108.800 0.046 0.000 2.553 283 G HA2 -0.327 3.634 3.960 0.001 0.000 0.242 283 G HA3 -0.327 3.634 3.960 0.001 0.000 0.242 283 G C 0.130 175.047 174.900 0.029 0.000 1.277 283 G CA -0.120 44.992 45.100 0.019 0.000 0.910 283 G HN 0.530 nan 8.290 nan 0.000 0.576 284 S N -0.665 115.060 115.700 0.041 0.000 2.624 284 S HA 0.501 4.971 4.470 0.001 0.000 0.263 284 S C 1.491 176.125 174.600 0.057 0.000 1.287 284 S CA 0.282 58.498 58.200 0.027 0.000 0.990 284 S CB 1.548 64.766 63.200 0.031 0.000 0.950 284 S HN 1.752 nan 8.310 nan 0.000 0.561 285 L N 0.581 121.817 121.223 0.022 0.000 2.127 285 L HA -0.029 4.312 4.340 0.001 0.000 0.211 285 L C 2.102 179.019 176.870 0.079 0.000 1.089 285 L CA 1.745 56.613 54.840 0.048 0.000 0.757 285 L CB -1.335 40.721 42.059 -0.004 0.000 0.899 285 L HN 0.865 nan 8.230 nan 0.000 0.434 286 Y N 0.453 120.718 120.300 -0.057 0.000 2.097 286 Y HA -0.311 4.240 4.550 0.001 0.000 0.282 286 Y C 2.341 178.110 175.900 -0.219 0.000 1.152 286 Y CA 2.287 60.298 58.100 -0.147 0.000 1.136 286 Y CB -0.308 38.100 38.460 -0.086 0.000 0.975 286 Y HN 0.323 nan 8.280 nan 0.000 0.498 287 D N -0.452 119.978 120.400 0.050 0.000 2.097 287 D HA -0.225 4.415 4.640 0.001 0.000 0.195 287 D C 2.063 178.317 176.300 -0.077 0.000 0.989 287 D CA 1.632 55.622 54.000 -0.017 0.000 0.827 287 D CB -0.759 40.094 40.800 0.089 0.000 0.966 287 D HN 0.398 nan 8.370 nan 0.000 0.456 288 F N 1.559 121.415 119.950 -0.157 0.000 2.102 288 F HA -0.107 4.420 4.527 0.001 0.000 0.298 288 F C 2.271 177.945 175.800 -0.210 0.000 1.105 288 F CA 1.064 58.958 58.000 -0.176 0.000 1.239 288 F CB -0.332 38.576 39.000 -0.155 0.000 0.991 288 F HN -0.140 nan 8.300 nan 0.000 0.474 289 L N -0.302 120.826 121.223 -0.157 0.000 2.275 289 L HA -0.188 4.152 4.340 0.001 0.000 0.215 289 L C 2.344 178.990 176.870 -0.374 0.000 1.119 289 L CA 0.947 55.645 54.840 -0.237 0.000 0.790 289 L CB -0.696 41.311 42.059 -0.087 0.000 0.919 289 L HN 0.235 nan 8.230 nan 0.000 0.443 290 Q N 0.841 120.323 119.800 -0.531 0.000 2.020 290 Q HA -0.202 4.138 4.340 0.001 0.000 0.202 290 Q C 2.307 178.135 176.000 -0.288 0.000 0.982 290 Q CA 1.898 57.415 55.803 -0.477 0.000 0.838 290 Q CB 0.082 28.532 28.738 -0.479 0.000 0.899 290 Q HN 0.521 nan 8.270 nan 0.000 0.423 291 R N -1.515 118.806 120.500 -0.299 0.000 2.156 291 R HA 0.176 4.516 4.340 0.001 0.000 0.207 291 R C 0.351 176.465 176.300 -0.310 0.000 1.040 291 R CA 0.208 56.155 56.100 -0.255 0.000 1.013 291 R CB 0.084 30.253 30.300 -0.219 0.000 0.931 291 R HN 0.009 nan 8.270 nan 0.000 0.465 292 Q N 1.741 121.255 119.800 -0.477 0.000 2.235 292 Q HA 0.269 4.610 4.340 0.001 0.000 0.256 292 Q C -0.867 174.902 176.000 -0.384 0.000 0.951 292 Q CA -0.348 55.135 55.803 -0.532 0.000 0.890 292 Q CB 2.164 30.290 28.738 -1.020 0.000 1.279 292 Q HN 0.319 nan 8.270 nan 0.000 0.444 293 T N -0.570 113.825 114.554 -0.264 0.000 2.929 293 T HA 0.759 5.110 4.350 0.001 0.000 0.284 293 T C -0.408 174.210 174.700 -0.138 0.000 1.014 293 T CA -0.845 61.149 62.100 -0.176 0.000 1.051 293 T CB 0.527 69.317 68.868 -0.130 0.000 1.028 293 T HN 0.411 nan 8.240 nan 0.000 0.485 294 L N 1.849 123.019 121.223 -0.088 0.000 2.325 294 L HA 0.486 4.827 4.340 0.001 0.000 0.281 294 L C 0.578 177.437 176.870 -0.019 0.000 1.004 294 L CA -0.995 53.827 54.840 -0.030 0.000 0.823 294 L CB 1.664 43.722 42.059 -0.003 0.000 1.236 294 L HN 0.818 nan 8.230 nan 0.000 0.415 295 E N 4.692 124.896 120.200 0.007 0.000 2.415 295 E HA 0.041 4.392 4.350 0.001 0.000 0.262 295 E C -1.698 174.926 176.600 0.039 0.000 1.038 295 E CA -1.378 55.033 56.400 0.020 0.000 0.921 295 E CB 1.374 31.095 29.700 0.035 0.000 0.950 295 E HN 0.329 nan 8.360 nan 0.000 0.438 296 P HA -0.210 nan 4.420 nan 0.000 0.216 296 P C 0.916 178.244 177.300 0.047 0.000 1.154 296 P CA 1.699 64.813 63.100 0.023 0.000 0.865 296 P CB -0.047 31.663 31.700 0.016 0.000 0.789 297 H N -0.953 118.112 119.070 -0.009 0.000 2.319 297 H HA -0.167 4.390 4.556 0.001 0.000 0.297 297 H C 1.835 177.164 175.328 0.003 0.000 1.097 297 H CA 1.581 57.627 56.048 -0.003 0.000 1.285 297 H CB -0.777 28.984 29.762 -0.001 0.000 1.368 297 H HN -0.066 nan 8.280 nan 0.000 0.495 298 L N 0.321 121.650 121.223 0.177 0.000 2.056 298 L HA 0.037 4.377 4.340 0.001 0.000 0.207 298 L C 2.538 179.431 176.870 0.039 0.000 1.078 298 L CA 1.758 56.675 54.840 0.129 0.000 0.749 298 L CB -1.179 40.970 42.059 0.150 0.000 0.901 298 L HN 0.436 nan 8.230 nan 0.000 0.433 299 A N -0.645 122.188 122.820 0.023 0.000 1.917 299 A HA -0.195 4.125 4.320 0.001 0.000 0.219 299 A C 2.499 180.064 177.584 -0.032 0.000 1.182 299 A CA 2.950 54.984 52.037 -0.005 0.000 0.633 299 A CB -1.545 17.442 19.000 -0.022 0.000 0.819 299 A HN 0.527 nan 8.150 nan 0.000 0.448 300 L N -0.337 120.849 121.223 -0.062 0.000 2.141 300 L HA 0.040 4.381 4.340 0.001 0.000 0.209 300 L C 2.655 179.470 176.870 -0.091 0.000 1.094 300 L CA 2.646 57.437 54.840 -0.082 0.000 0.763 300 L CB -1.581 40.409 42.059 -0.116 0.000 0.908 300 L HN 0.650 nan 8.230 nan 0.000 0.437 301 R N -0.659 119.765 120.500 -0.126 0.000 2.066 301 R HA -0.068 4.272 4.340 0.001 0.000 0.232 301 R C 2.284 178.555 176.300 -0.048 0.000 1.131 301 R CA 1.531 57.569 56.100 -0.103 0.000 0.955 301 R CB -0.400 29.844 30.300 -0.093 0.000 0.851 301 R HN 0.640 nan 8.270 nan 0.000 0.432 302 L N 0.192 121.391 121.223 -0.039 0.000 2.056 302 L HA -0.101 4.240 4.340 0.001 0.000 0.207 302 L C 2.734 179.602 176.870 -0.003 0.000 1.078 302 L CA 1.294 56.112 54.840 -0.035 0.000 0.749 302 L CB -0.577 41.462 42.059 -0.033 0.000 0.901 302 L HN 0.347 nan 8.230 nan 0.000 0.433 303 A N -0.604 122.216 122.820 0.000 0.000 1.902 303 A HA -0.182 4.139 4.320 0.001 0.000 0.217 303 A C 2.401 180.053 177.584 0.112 0.000 1.181 303 A CA 1.877 53.939 52.037 0.041 0.000 0.623 303 A CB -0.907 18.103 19.000 0.017 0.000 0.818 303 A HN 0.206 nan 8.150 nan 0.000 0.443 304 V N 0.813 120.756 119.914 0.049 0.000 2.358 304 V HA -0.195 3.926 4.120 0.001 0.000 0.246 304 V C 2.861 178.989 176.094 0.057 0.000 1.047 304 V CA 2.907 65.234 62.300 0.044 0.000 1.035 304 V CB -0.471 31.352 31.823 -0.001 0.000 0.658 304 V HN 0.794 nan 8.190 nan 0.000 0.452 305 S N 0.656 116.384 115.700 0.046 0.000 2.368 305 S HA -0.055 4.416 4.470 0.001 0.000 0.224 305 S C 2.160 176.810 174.600 0.083 0.000 1.029 305 S CA 1.250 59.480 58.200 0.050 0.000 0.988 305 S CB -0.717 62.494 63.200 0.019 0.000 0.838 305 S HN 0.787 nan 8.310 nan 0.000 0.462 306 A N 2.371 125.267 122.820 0.127 0.000 1.908 306 A HA 0.216 4.536 4.320 0.001 0.000 0.218 306 A C 2.547 180.300 177.584 0.281 0.000 1.181 306 A CA 1.908 54.088 52.037 0.239 0.000 0.627 306 A CB -1.522 17.652 19.000 0.289 0.000 0.818 306 A HN 0.876 nan 8.150 nan 0.000 0.445 307 A N -1.057 121.914 122.820 0.251 0.000 1.933 307 A HA -0.155 4.165 4.320 0.001 0.000 0.218 307 A C 2.290 179.818 177.584 -0.094 0.000 1.175 307 A CA 1.674 53.693 52.037 -0.031 0.000 0.628 307 A CB -1.223 17.752 19.000 -0.042 0.000 0.814 307 A HN 0.620 nan 8.150 nan 0.000 0.444 308 C N -1.067 118.225 119.300 -0.014 0.000 2.432 308 C HA 0.033 4.493 4.460 0.001 0.000 0.277 308 C C 3.019 177.942 174.990 -0.111 0.000 1.249 308 C CA 0.451 59.457 59.018 -0.020 0.000 1.725 308 C CB -1.646 26.134 27.740 0.066 0.000 2.028 308 C HN 0.694 nan 8.230 nan 0.000 0.477 309 G N 0.494 109.239 108.800 -0.092 0.000 2.514 309 G HA2 -0.264 3.697 3.960 0.001 0.000 0.217 309 G HA3 -0.264 3.697 3.960 0.001 0.000 0.217 309 G C 1.504 176.353 174.900 -0.085 0.000 1.198 309 G CA 1.218 46.248 45.100 -0.115 0.000 0.780 309 G HN 0.436 nan 8.290 nan 0.000 0.565 310 L N 1.304 122.455 121.223 -0.119 0.000 2.093 310 L HA 0.180 4.520 4.340 0.001 0.000 0.208 310 L C 3.140 179.777 176.870 -0.389 0.000 1.085 310 L CA 1.978 56.631 54.840 -0.311 0.000 0.755 310 L CB -0.701 41.015 42.059 -0.572 0.000 0.904 310 L HN 0.269 nan 8.230 nan 0.000 0.435 311 A N -1.580 121.072 122.820 -0.280 0.000 1.902 311 A HA -0.296 4.025 4.320 0.001 0.000 0.217 311 A C 2.406 179.956 177.584 -0.056 0.000 1.181 311 A CA 1.817 53.749 52.037 -0.173 0.000 0.623 311 A CB -1.063 17.868 19.000 -0.115 0.000 0.818 311 A HN 0.698 nan 8.150 nan 0.000 0.443 312 H N -0.176 118.801 119.070 -0.154 0.000 2.353 312 H HA -0.048 4.508 4.556 0.001 0.000 0.300 312 H C 1.965 177.264 175.328 -0.049 0.000 1.090 312 H CA 1.683 57.658 56.048 -0.120 0.000 1.327 312 H CB -0.124 29.447 29.762 -0.318 0.000 1.383 312 H HN 0.420 nan 8.280 nan 0.000 0.508 313 L N -0.134 121.048 121.223 -0.069 0.000 1.989 313 L HA -0.234 4.106 4.340 0.001 0.000 0.211 313 L C 2.691 179.613 176.870 0.088 0.000 1.071 313 L CA 1.576 56.409 54.840 -0.011 0.000 0.749 313 L CB -0.701 41.426 42.059 0.115 0.000 0.890 313 L HN 0.461 nan 8.230 nan 0.000 0.431 314 H N -1.732 117.304 119.070 -0.055 0.000 2.389 314 H HA -0.032 4.525 4.556 0.001 0.000 0.299 314 H C 0.743 176.068 175.328 -0.004 0.000 1.081 314 H CA 0.192 56.235 56.048 -0.009 0.000 1.345 314 H CB 0.329 30.053 29.762 -0.064 0.000 1.393 314 H HN 0.046 nan 8.280 nan 0.000 0.520 315 V N 2.417 122.362 119.914 0.051 0.000 2.461 315 V HA 0.006 4.126 4.120 0.001 0.000 0.275 315 V C 0.046 176.080 176.094 -0.100 0.000 1.047 315 V CA -0.300 61.986 62.300 -0.023 0.000 0.955 315 V CB 1.192 32.989 31.823 -0.042 0.000 0.988 315 V HN 0.320 nan 8.190 nan 0.000 0.471 316 E N 6.363 126.494 120.200 -0.115 0.000 2.360 316 E HA 0.300 4.650 4.350 0.001 0.000 0.269 316 E C -0.857 175.548 176.600 -0.325 0.000 1.022 316 E CA -0.303 55.985 56.400 -0.187 0.000 0.887 316 E CB 0.778 30.389 29.700 -0.147 0.000 0.990 316 E HN 0.698 nan 8.360 nan 0.000 0.426 317 I N 5.521 125.926 120.570 -0.276 0.000 2.411 317 I HA 0.202 4.372 4.170 0.001 0.000 0.284 317 I C -0.584 175.444 176.117 -0.149 0.000 1.012 317 I CA -0.919 60.213 61.300 -0.280 0.000 1.119 317 I CB 0.586 38.516 38.000 -0.117 0.000 1.261 317 I HN 0.493 nan 8.210 nan 0.000 0.448 318 F N 3.643 123.582 119.950 -0.017 0.000 2.535 318 F HA 0.542 5.070 4.527 0.001 0.000 0.332 318 F C 1.294 177.087 175.800 -0.011 0.000 1.208 318 F CA -0.148 57.839 58.000 -0.021 0.000 1.330 318 F CB -0.074 38.916 39.000 -0.016 0.000 1.167 318 F HN 0.659 nan 8.300 nan 0.000 0.597 319 G N 0.697 109.613 108.800 0.193 0.000 2.619 319 G HA2 -0.117 3.843 3.960 0.001 0.000 0.686 319 G HA3 -0.117 3.843 3.960 0.001 0.000 0.686 319 G C 0.346 175.284 174.900 0.064 0.000 1.256 319 G CA -0.496 44.666 45.100 0.103 0.000 0.826 319 G HN 0.755 nan 8.290 nan 0.000 0.619 320 T N 0.598 115.179 114.554 0.045 0.000 2.635 320 T HA -0.131 4.219 4.350 0.001 0.000 0.267 320 T C 1.740 176.460 174.700 0.034 0.000 1.040 320 T CA 1.985 64.104 62.100 0.032 0.000 1.156 320 T CB -0.185 68.699 68.868 0.026 0.000 0.863 320 T HN 0.544 nan 8.240 nan 0.000 0.430 321 Q N 1.578 121.402 119.800 0.039 0.000 2.600 321 Q HA 0.295 4.636 4.340 0.001 0.000 0.276 321 Q C 0.713 176.742 176.000 0.049 0.000 1.006 321 Q CA -0.106 55.724 55.803 0.044 0.000 0.942 321 Q CB -0.254 28.511 28.738 0.046 0.000 1.383 321 Q HN 0.556 nan 8.270 nan 0.000 0.414 322 G N 0.197 109.021 108.800 0.040 0.000 3.039 322 G HA2 0.620 4.581 3.960 0.001 0.000 0.159 322 G HA3 0.620 4.581 3.960 0.001 0.000 0.159 322 G C -0.835 174.068 174.900 0.005 0.000 1.284 322 G CA -0.252 44.866 45.100 0.030 0.000 0.996 322 G HN 0.187 nan 8.290 nan 0.000 0.592 323 K N -1.101 119.283 120.400 -0.026 0.000 2.801 323 K HA 0.380 4.701 4.320 0.001 0.000 0.287 323 K C -3.495 173.047 176.600 -0.096 0.000 1.084 323 K CA -1.047 55.201 56.287 -0.064 0.000 0.901 323 K CB 0.496 32.945 32.500 -0.086 0.000 1.405 323 K HN 0.670 nan 8.250 nan 0.000 0.378 324 P HA 0.435 nan 4.420 nan 0.000 0.274 324 P C -0.166 177.040 177.300 -0.157 0.000 1.256 324 P CA -0.123 62.883 63.100 -0.156 0.000 0.795 324 P CB 0.588 32.172 31.700 -0.193 0.000 1.038 325 A N 1.275 123.989 122.820 -0.177 0.000 2.440 325 A HA 0.459 4.779 4.320 0.001 0.000 0.251 325 A C 0.188 177.757 177.584 -0.024 0.000 1.089 325 A CA -0.157 51.832 52.037 -0.080 0.000 0.779 325 A CB -0.783 18.190 19.000 -0.045 0.000 1.022 325 A HN 0.434 nan 8.150 nan 0.000 0.492 326 I N 1.505 122.171 120.570 0.160 0.000 2.498 326 I HA 0.550 4.720 4.170 0.001 0.000 0.290 326 I C 0.312 176.578 176.117 0.247 0.000 1.032 326 I CA -0.346 61.059 61.300 0.175 0.000 1.073 326 I CB 2.170 40.184 38.000 0.024 0.000 1.251 326 I HN 0.685 nan 8.210 nan 0.000 0.426 327 A N 4.171 127.100 122.820 0.182 0.000 2.317 327 A HA 0.409 4.730 4.320 0.001 0.000 0.327 327 A C 0.430 178.077 177.584 0.106 0.000 1.178 327 A CA -0.421 51.635 52.037 0.031 0.000 0.817 327 A CB 0.701 19.544 19.000 -0.261 0.000 1.189 327 A HN 0.900 nan 8.150 nan 0.000 0.489 328 H N 1.647 120.795 119.070 0.130 0.000 2.284 328 H HA -0.021 4.536 4.556 0.001 0.000 0.304 328 H C 0.579 175.968 175.328 0.103 0.000 1.069 328 H CA 2.143 58.272 56.048 0.135 0.000 1.327 328 H CB 0.121 30.030 29.762 0.244 0.000 1.387 328 H HN 0.893 nan 8.280 nan 0.000 0.498 329 R N -0.641 120.061 120.500 0.336 0.000 3.840 329 R HA -0.167 4.173 4.340 0.001 0.000 0.464 329 R C -0.536 175.949 176.300 0.308 0.000 0.986 329 R CA 1.161 57.410 56.100 0.249 0.000 1.305 329 R CB -1.631 28.720 30.300 0.086 0.000 1.950 329 R HN 0.346 nan 8.270 nan 0.000 0.526 330 D N -0.233 120.474 120.400 0.511 0.000 2.992 330 D HA 0.160 4.801 4.640 0.001 0.000 0.372 330 D C -1.217 175.208 176.300 0.208 0.000 1.374 330 D CA -0.373 53.844 54.000 0.361 0.000 0.769 330 D CB -0.013 40.951 40.800 0.273 0.000 1.215 330 D HN 0.062 nan 8.370 nan 0.000 0.473 331 F N 2.651 122.581 119.950 -0.033 0.000 2.472 331 F HA 0.326 4.854 4.527 0.001 0.000 0.364 331 F C 0.356 175.970 175.800 -0.310 0.000 1.090 331 F CA 0.215 58.024 58.000 -0.319 0.000 1.188 331 F CB 0.181 39.084 39.000 -0.162 0.000 1.105 331 F HN -0.007 nan 8.300 nan 0.000 0.536 332 K N 1.762 121.625 120.400 -0.896 0.000 2.578 332 K HA 0.327 4.648 4.320 0.001 0.000 0.287 332 K C 0.061 176.230 176.600 -0.718 0.000 1.010 332 K CA -0.266 55.436 56.287 -0.975 0.000 0.889 332 K CB 1.133 32.922 32.500 -1.185 0.000 1.514 332 K HN 0.360 nan 8.250 nan 0.000 0.424 333 S N 0.245 115.714 115.700 -0.384 0.000 2.419 333 S HA -0.123 4.348 4.470 0.001 0.000 0.233 333 S C 1.594 176.128 174.600 -0.109 0.000 1.016 333 S CA 0.708 58.823 58.200 -0.142 0.000 0.974 333 S CB -0.418 62.873 63.200 0.152 0.000 0.786 333 S HN 0.616 nan 8.310 nan 0.000 0.492 334 R N 1.260 121.676 120.500 -0.140 0.000 2.235 334 R HA 0.189 4.529 4.340 0.001 0.000 0.213 334 R C 0.607 176.804 176.300 -0.171 0.000 1.059 334 R CA 0.717 56.735 56.100 -0.135 0.000 0.997 334 R CB -0.161 30.022 30.300 -0.195 0.000 0.884 334 R HN 0.360 nan 8.270 nan 0.000 0.462 335 N N -0.042 118.507 118.700 -0.252 0.000 2.251 335 N HA 0.083 4.823 4.740 0.001 0.000 0.217 335 N C -1.090 174.278 175.510 -0.237 0.000 1.124 335 N CA 0.214 53.136 53.050 -0.213 0.000 0.843 335 N CB 1.268 39.638 38.487 -0.195 0.000 1.024 335 N HN -0.124 nan 8.380 nan 0.000 0.501 336 V N 1.567 121.336 119.914 -0.241 0.000 2.487 336 V HA 0.431 4.552 4.120 0.001 0.000 0.298 336 V C -0.000 176.028 176.094 -0.109 0.000 1.028 336 V CA -0.760 61.430 62.300 -0.183 0.000 0.860 336 V CB 2.253 33.931 31.823 -0.242 0.000 0.991 336 V HN -0.024 nan 8.190 nan 0.000 0.427 337 L N 4.467 125.638 121.223 -0.088 0.000 2.360 337 L HA 0.651 4.991 4.340 0.001 0.000 0.271 337 L C -0.407 176.350 176.870 -0.189 0.000 1.057 337 L CA -0.736 54.043 54.840 -0.102 0.000 0.803 337 L CB 1.984 44.014 42.059 -0.048 0.000 1.207 337 L HN 0.362 nan 8.230 nan 0.000 0.445 338 V N 2.125 121.915 119.914 -0.205 0.000 2.370 338 V HA 0.331 4.451 4.120 0.001 0.000 0.283 338 V C 0.087 176.028 176.094 -0.255 0.000 1.023 338 V CA -0.902 61.221 62.300 -0.294 0.000 0.857 338 V CB 1.269 32.779 31.823 -0.521 0.000 0.985 338 V HN 0.648 nan 8.190 nan 0.000 0.443 339 K N 2.262 122.477 120.400 -0.308 0.000 2.117 339 K HA 0.367 4.687 4.320 0.001 0.000 0.240 339 K C 1.325 177.872 176.600 -0.090 0.000 1.031 339 K CA -0.366 55.765 56.287 -0.259 0.000 0.909 339 K CB 0.566 32.910 32.500 -0.261 0.000 1.097 339 K HN 0.566 nan 8.250 nan 0.000 0.492 340 S N 1.240 116.902 115.700 -0.063 0.000 2.374 340 S HA -0.173 4.298 4.470 0.001 0.000 0.227 340 S C 1.130 175.736 174.600 0.010 0.000 1.037 340 S CA 1.932 60.097 58.200 -0.057 0.000 1.024 340 S CB -0.479 62.699 63.200 -0.038 0.000 0.861 340 S HN 0.685 nan 8.310 nan 0.000 0.456 341 N N 2.038 120.735 118.700 -0.004 0.000 2.413 341 N HA 0.111 4.851 4.740 0.001 0.000 0.207 341 N C 0.115 175.621 175.510 -0.007 0.000 1.206 341 N CA 0.011 53.065 53.050 0.007 0.000 0.832 341 N CB -1.026 37.462 38.487 0.003 0.000 1.037 341 N HN 0.363 nan 8.380 nan 0.000 0.467 342 L N -1.642 119.563 121.223 -0.030 0.000 3.737 342 L HA -0.315 4.025 4.340 0.001 0.000 0.418 342 L C -0.673 176.127 176.870 -0.116 0.000 1.216 342 L CA 0.788 55.563 54.840 -0.109 0.000 0.915 342 L CB -2.040 39.991 42.059 -0.047 0.000 1.834 342 L HN 0.521 nan 8.230 nan 0.000 0.943 343 Q N -0.988 118.747 119.800 -0.108 0.000 2.301 343 Q HA 0.560 4.900 4.340 0.001 0.000 0.267 343 Q C -0.196 175.724 176.000 -0.134 0.000 1.035 343 Q CA -0.824 54.924 55.803 -0.090 0.000 0.856 343 Q CB 2.595 31.305 28.738 -0.046 0.000 1.337 343 Q HN 0.277 nan 8.270 nan 0.000 0.450 344 C N 1.007 120.250 119.300 -0.094 0.000 2.382 344 C HA 0.725 5.185 4.460 0.001 0.000 0.363 344 C C 0.296 175.249 174.990 -0.062 0.000 1.213 344 C CA -0.676 58.283 59.018 -0.098 0.000 2.363 344 C CB -0.031 27.684 27.740 -0.041 0.000 2.397 344 C HN 0.950 nan 8.230 nan 0.000 0.573 345 C N 1.332 120.589 119.300 -0.072 0.000 2.880 345 C HA 0.712 5.173 4.460 0.001 0.000 0.320 345 C C -0.736 174.278 174.990 0.040 0.000 1.176 345 C CA -0.924 58.098 59.018 0.007 0.000 1.390 345 C CB -0.675 27.076 27.740 0.018 0.000 1.846 345 C HN 0.816 nan 8.230 nan 0.000 0.478 346 I N 3.084 123.716 120.570 0.102 0.000 2.519 346 I HA 0.579 4.750 4.170 0.001 0.000 0.287 346 I C 0.839 177.060 176.117 0.175 0.000 1.047 346 I CA 0.356 61.734 61.300 0.131 0.000 1.381 346 I CB 1.136 39.271 38.000 0.226 0.000 1.417 346 I HN 1.047 nan 8.210 nan 0.000 0.540 347 A N 3.845 126.765 122.820 0.168 0.000 2.437 347 A HA 0.613 4.934 4.320 0.001 0.000 0.288 347 A C -0.545 177.195 177.584 0.260 0.000 1.201 347 A CA -0.407 51.752 52.037 0.204 0.000 0.795 347 A CB 1.167 20.246 19.000 0.132 0.000 1.359 347 A HN 0.767 nan 8.150 nan 0.000 0.435 348 D N -1.643 118.869 120.400 0.187 0.000 3.729 348 D HA -0.105 4.536 4.640 0.001 0.000 0.242 348 D C -0.631 175.633 176.300 -0.061 0.000 1.091 348 D CA 0.358 54.431 54.000 0.121 0.000 1.096 348 D CB -1.025 39.841 40.800 0.110 0.000 0.901 348 D HN 0.310 nan 8.370 nan 0.000 0.416 349 L N 1.937 123.094 121.223 -0.111 0.000 2.653 349 L HA 0.364 4.705 4.340 0.001 0.000 0.232 349 L C 2.498 179.246 176.870 -0.204 0.000 1.169 349 L CA 0.887 55.550 54.840 -0.295 0.000 0.951 349 L CB 0.154 41.985 42.059 -0.380 0.000 1.181 349 L HN 0.497 nan 8.230 nan 0.000 0.460 350 G N -0.698 108.061 108.800 -0.069 0.000 2.470 350 G HA2 -0.171 3.789 3.960 0.001 0.000 0.220 350 G HA3 -0.171 3.789 3.960 0.001 0.000 0.220 350 G C 1.323 176.215 174.900 -0.013 0.000 1.121 350 G CA 0.454 45.563 45.100 0.015 0.000 0.766 350 G HN 0.389 nan 8.290 nan 0.000 0.553 351 L N 0.320 121.506 121.223 -0.061 0.000 2.808 351 L HA 0.422 4.762 4.340 0.001 0.000 0.246 351 L C 1.444 178.247 176.870 -0.113 0.000 1.153 351 L CA -0.548 54.263 54.840 -0.049 0.000 0.956 351 L CB 0.337 42.401 42.059 0.008 0.000 1.270 351 L HN 0.207 nan 8.230 nan 0.000 0.528 352 A N 0.872 123.593 122.820 -0.165 0.000 2.466 352 A HA 0.408 4.729 4.320 0.001 0.000 0.238 352 A C -0.060 177.436 177.584 -0.146 0.000 1.074 352 A CA -0.015 51.923 52.037 -0.165 0.000 0.774 352 A CB 0.405 19.288 19.000 -0.195 0.000 1.015 352 A HN 0.103 nan 8.150 nan 0.000 0.498 353 V N 0.002 119.843 119.914 -0.122 0.000 2.823 353 V HA 0.845 4.965 4.120 0.001 0.000 0.312 353 V C -0.360 175.763 176.094 0.048 0.000 1.072 353 V CA -0.968 61.267 62.300 -0.107 0.000 0.937 353 V CB 1.649 33.308 31.823 -0.274 0.000 1.013 353 V HN 0.879 nan 8.190 nan 0.000 0.430 354 M N 3.849 123.410 119.600 -0.064 0.000 2.591 354 M HA 0.616 5.096 4.480 0.001 0.000 0.306 354 M C -1.119 174.910 176.300 -0.452 0.000 1.190 354 M CA -0.468 54.722 55.300 -0.184 0.000 0.889 354 M CB 2.390 34.882 32.600 -0.182 0.000 1.728 354 M HN 1.025 nan 8.290 nan 0.000 0.458 355 H N 0.623 119.214 119.070 -0.798 0.000 2.865 355 H HA 0.551 5.108 4.556 0.001 0.000 0.362 355 H C -1.874 173.177 175.328 -0.461 0.000 1.114 355 H CA -0.327 55.223 56.048 -0.830 0.000 1.208 355 H CB 1.900 30.764 29.762 -1.496 0.000 1.727 355 H HN 0.739 nan 8.280 nan 0.000 0.534 356 S N 2.814 117.900 115.700 -1.023 0.000 2.537 356 S HA 0.249 4.720 4.470 0.001 0.000 0.301 356 S C 1.377 175.433 174.600 -0.906 0.000 1.092 356 S CA 0.032 57.824 58.200 -0.681 0.000 1.048 356 S CB 1.777 64.788 63.200 -0.315 0.000 1.053 356 S HN 0.849 nan 8.310 nan 0.000 0.501 357 Q N 1.827 121.475 119.800 -0.254 0.000 2.135 357 Q HA -0.059 4.282 4.340 0.001 0.000 0.204 357 Q C 2.130 178.101 176.000 -0.048 0.000 0.981 357 Q CA 2.245 58.060 55.803 0.019 0.000 0.856 357 Q CB -1.505 27.378 28.738 0.242 0.000 0.902 357 Q HN 0.964 nan 8.270 nan 0.000 0.425 358 G N 0.154 108.893 108.800 -0.103 0.000 2.394 358 G HA2 0.273 4.233 3.960 0.001 0.000 0.215 358 G HA3 0.273 4.233 3.960 0.001 0.000 0.215 358 G C 1.206 176.073 174.900 -0.055 0.000 1.165 358 G CA 0.988 46.040 45.100 -0.080 0.000 0.784 358 G HN 1.042 nan 8.290 nan 0.000 0.535 359 S N 0.449 116.097 115.700 -0.087 0.000 2.548 359 S HA 0.468 4.939 4.470 0.001 0.000 0.277 359 S C -0.327 174.314 174.600 0.067 0.000 1.315 359 S CA -0.387 57.815 58.200 0.004 0.000 1.050 359 S CB 0.564 63.800 63.200 0.060 0.000 0.918 359 S HN 0.048 nan 8.310 nan 0.000 0.497 360 D N 2.027 122.500 120.400 0.122 0.000 2.772 360 D HA 0.426 5.067 4.640 0.001 0.000 0.273 360 D C -0.671 175.767 176.300 0.229 0.000 1.233 360 D CA 0.258 54.344 54.000 0.143 0.000 0.984 360 D CB -0.314 40.540 40.800 0.090 0.000 1.000 360 D HN 0.641 nan 8.370 nan 0.000 0.514 361 Y N -2.168 118.153 120.300 0.035 0.000 2.764 361 Y HA 0.634 5.184 4.550 0.000 0.000 0.331 361 Y C -1.936 174.002 175.900 0.063 0.000 1.280 361 Y CA -1.396 56.727 58.100 0.039 0.000 1.065 361 Y CB 0.738 39.206 38.460 0.014 0.000 1.319 361 Y HN -0.120 nan 8.280 nan 0.000 0.453 362 L N 2.007 123.021 121.223 -0.350 0.000 2.319 362 L HA 0.642 4.983 4.340 0.001 0.000 0.281 362 L C -0.958 175.550 176.870 -0.603 0.000 1.005 362 L CA -0.771 53.857 54.840 -0.354 0.000 0.828 362 L CB 0.989 43.042 42.059 -0.009 0.000 1.227 362 L HN 0.684 nan 8.230 nan 0.000 0.415 363 D N 3.041 123.033 120.400 -0.681 0.000 2.352 363 D HA 0.554 5.195 4.640 0.001 0.000 0.245 363 D C -0.561 175.637 176.300 -0.169 0.000 1.224 363 D CA 0.401 54.140 54.000 -0.435 0.000 0.879 363 D CB 0.650 41.227 40.800 -0.371 0.000 1.057 363 D HN 0.518 nan 8.370 nan 0.000 0.491 364 I N 2.791 123.324 120.570 -0.062 0.000 2.499 364 I HA 0.373 4.544 4.170 0.001 0.000 0.288 364 I C 1.058 177.176 176.117 0.000 0.000 1.048 364 I CA -1.062 60.209 61.300 -0.048 0.000 1.062 364 I CB 2.228 40.219 38.000 -0.015 0.000 1.238 364 I HN 0.306 nan 8.210 nan 0.000 0.426 365 G N 2.935 111.727 108.800 -0.014 0.000 2.651 365 G HA2 0.099 4.059 3.960 0.001 0.000 0.260 365 G HA3 0.099 4.059 3.960 0.001 0.000 0.260 365 G C 0.150 175.082 174.900 0.054 0.000 1.216 365 G CA -0.259 44.861 45.100 0.034 0.000 0.913 365 G HN 0.715 nan 8.290 nan 0.000 0.535 366 N N -0.121 118.629 118.700 0.083 0.000 2.235 366 N HA 0.044 4.784 4.740 0.001 0.000 0.209 366 N C 0.314 175.864 175.510 0.067 0.000 1.122 366 N CA -0.386 52.704 53.050 0.067 0.000 0.845 366 N CB 0.197 38.719 38.487 0.058 0.000 1.004 366 N HN 0.332 nan 8.380 nan 0.000 0.499 367 N N 1.726 120.472 118.700 0.076 0.000 2.447 367 N HA 0.035 4.776 4.740 0.001 0.000 0.263 367 N C -1.484 174.072 175.510 0.078 0.000 1.226 367 N CA -1.002 52.100 53.050 0.085 0.000 0.906 367 N CB 1.082 39.624 38.487 0.093 0.000 1.060 367 N HN 0.071 nan 8.380 nan 0.000 0.468 368 P HA -0.026 nan 4.420 nan 0.000 0.225 368 P C 0.141 177.497 177.300 0.093 0.000 1.156 368 P CA 0.373 63.519 63.100 0.077 0.000 0.787 368 P CB 0.211 31.953 31.700 0.069 0.000 0.802 369 R N 1.431 121.996 120.500 0.108 0.000 2.698 369 R HA 0.204 4.545 4.340 0.001 0.000 0.266 369 R C -0.208 176.167 176.300 0.126 0.000 1.026 369 R CA 0.002 56.177 56.100 0.125 0.000 1.102 369 R CB 0.264 30.650 30.300 0.143 0.000 0.978 369 R HN -0.023 nan 8.270 nan 0.000 0.436 370 V N 0.903 120.904 119.914 0.144 0.000 3.166 370 V HA 0.708 4.828 4.120 0.001 0.000 0.317 370 V C 0.643 176.834 176.094 0.162 0.000 1.136 370 V CA -0.636 61.760 62.300 0.160 0.000 1.035 370 V CB 1.170 33.114 31.823 0.203 0.000 1.110 370 V HN 0.937 nan 8.190 nan 0.000 0.450 371 G N 0.472 109.372 108.800 0.167 0.000 2.647 371 G HA2 0.346 4.307 3.960 0.001 0.000 0.234 371 G HA3 0.346 4.307 3.960 0.001 0.000 0.234 371 G C 0.184 175.185 174.900 0.169 0.000 1.252 371 G CA 0.208 45.413 45.100 0.175 0.000 0.846 371 G HN 1.026 nan 8.290 nan 0.000 0.589 372 T N 1.594 116.265 114.554 0.195 0.000 2.867 372 T HA 0.047 4.398 4.350 0.001 0.000 0.297 372 T C 1.643 176.460 174.700 0.194 0.000 0.989 372 T CA 0.125 62.353 62.100 0.213 0.000 1.159 372 T CB 1.058 70.098 68.868 0.287 0.000 0.928 372 T HN 0.569 nan 8.240 nan 0.000 0.538 373 K N 2.312 122.773 120.400 0.102 0.000 2.152 373 K HA -0.142 4.178 4.320 0.001 0.000 0.206 373 K C 2.409 178.975 176.600 -0.056 0.000 1.048 373 K CA 1.039 57.308 56.287 -0.030 0.000 0.933 373 K CB -0.013 32.457 32.500 -0.050 0.000 0.721 373 K HN 0.399 nan 8.250 nan 0.000 0.447 374 R N -0.045 120.453 120.500 -0.003 0.000 2.152 374 R HA -0.146 4.195 4.340 0.001 0.000 0.232 374 R C 0.890 177.080 176.300 -0.183 0.000 1.117 374 R CA 1.431 57.442 56.100 -0.147 0.000 0.981 374 R CB 0.069 30.236 30.300 -0.221 0.000 0.870 374 R HN 0.289 nan 8.270 nan 0.000 0.451 375 Y N -0.975 119.434 120.300 0.182 0.000 2.467 375 Y HA 0.251 4.801 4.550 0.001 0.000 0.250 375 Y C 0.294 176.398 175.900 0.341 0.000 1.155 375 Y CA -0.411 57.881 58.100 0.319 0.000 1.249 375 Y CB 0.381 39.013 38.460 0.286 0.000 1.146 375 Y HN -0.093 nan 8.280 nan 0.000 0.524 376 M N 1.012 120.739 119.600 0.212 0.000 2.238 376 M HA 0.269 4.749 4.480 0.001 0.000 0.350 376 M C 0.662 176.809 176.300 -0.254 0.000 1.321 376 M CA -0.186 55.120 55.300 0.009 0.000 1.097 376 M CB 0.574 33.073 32.600 -0.167 0.000 1.713 376 M HN 0.252 nan 8.290 nan 0.000 0.455 377 A N 5.614 128.142 122.820 -0.487 0.000 2.386 377 A HA 0.295 4.616 4.320 0.001 0.000 0.246 377 A C -1.759 175.316 177.584 -0.849 0.000 1.089 377 A CA -1.224 50.070 52.037 -1.238 0.000 0.790 377 A CB -0.463 18.140 19.000 -0.662 0.000 1.042 377 A HN 0.637 nan 8.150 nan 0.000 0.497 378 P HA -0.207 nan 4.420 nan 0.000 0.216 378 P C 1.273 178.395 177.300 -0.297 0.000 1.153 378 P CA 1.728 64.522 63.100 -0.509 0.000 0.858 378 P CB -0.006 31.443 31.700 -0.417 0.000 0.789 379 E N -0.150 119.895 120.200 -0.257 0.000 2.265 379 E HA -0.092 4.259 4.350 0.001 0.000 0.196 379 E C 1.738 178.281 176.600 -0.096 0.000 0.996 379 E CA 1.152 57.470 56.400 -0.137 0.000 0.832 379 E CB -1.247 28.395 29.700 -0.096 0.000 0.756 379 E HN 0.122 nan 8.360 nan 0.000 0.491 380 V N 1.337 121.178 119.914 -0.123 0.000 2.446 380 V HA -0.121 4.000 4.120 0.001 0.000 0.244 380 V C 2.555 178.645 176.094 -0.006 0.000 1.039 380 V CA 0.949 63.224 62.300 -0.041 0.000 1.045 380 V CB -0.397 31.402 31.823 -0.038 0.000 0.681 380 V HN 0.162 nan 8.190 nan 0.000 0.459 381 L N -0.104 121.044 121.223 -0.124 0.000 2.156 381 L HA -0.117 4.224 4.340 0.001 0.000 0.208 381 L C 2.190 179.100 176.870 0.067 0.000 1.095 381 L CA 1.192 55.977 54.840 -0.093 0.000 0.770 381 L CB -0.464 41.442 42.059 -0.255 0.000 0.914 381 L HN 0.362 nan 8.230 nan 0.000 0.439 382 D N 0.097 120.491 120.400 -0.010 0.000 2.269 382 D HA -0.146 4.495 4.640 0.001 0.000 0.208 382 D C 0.612 176.933 176.300 0.035 0.000 0.963 382 D CA 0.524 54.526 54.000 0.004 0.000 0.864 382 D CB -0.008 40.770 40.800 -0.036 0.000 0.936 382 D HN 0.317 nan 8.370 nan 0.000 0.505 383 E N -1.965 118.267 120.200 0.054 0.000 2.791 383 E HA -0.264 4.086 4.350 0.001 0.000 0.271 383 E C 0.911 177.520 176.600 0.015 0.000 1.044 383 E CA 0.707 57.138 56.400 0.051 0.000 0.814 383 E CB -2.135 27.596 29.700 0.052 0.000 1.400 383 E HN 0.544 nan 8.360 nan 0.000 0.423 384 Q N 0.298 120.096 119.800 -0.005 0.000 2.319 384 Q HA 0.346 4.686 4.340 0.001 0.000 0.202 384 Q C 0.898 176.883 176.000 -0.024 0.000 0.896 384 Q CA 0.533 56.326 55.803 -0.016 0.000 0.942 384 Q CB 0.311 29.034 28.738 -0.025 0.000 1.083 384 Q HN 0.504 nan 8.270 nan 0.000 0.510 385 I N 1.339 121.890 120.570 -0.032 0.000 2.692 385 I HA 0.130 4.301 4.170 0.001 0.000 0.284 385 I C 0.073 176.145 176.117 -0.074 0.000 1.159 385 I CA -0.466 60.796 61.300 -0.063 0.000 1.423 385 I CB 1.023 38.967 38.000 -0.095 0.000 1.380 385 I HN 0.254 nan 8.210 nan 0.000 0.580 386 R N 4.682 125.126 120.500 -0.093 0.000 2.272 386 R HA 0.081 4.422 4.340 0.001 0.000 0.334 386 R C 1.188 177.395 176.300 -0.155 0.000 1.117 386 R CA 0.093 56.144 56.100 -0.081 0.000 0.966 386 R CB 0.365 30.640 30.300 -0.043 0.000 1.049 386 R HN 0.744 nan 8.270 nan 0.000 0.477 387 T N -1.940 112.571 114.554 -0.072 0.000 3.113 387 T HA -0.096 4.255 4.350 0.001 0.000 0.263 387 T C 0.668 175.436 174.700 0.113 0.000 1.143 387 T CA 0.746 62.850 62.100 0.007 0.000 1.090 387 T CB -0.096 68.848 68.868 0.127 0.000 0.922 387 T HN 0.523 nan 8.240 nan 0.000 0.521 388 D N -0.233 120.198 120.400 0.053 0.000 2.463 388 D HA 0.252 4.893 4.640 0.001 0.000 0.224 388 D C -0.197 176.137 176.300 0.057 0.000 1.174 388 D CA -0.802 53.249 54.000 0.085 0.000 0.829 388 D CB -0.749 40.093 40.800 0.069 0.000 0.993 388 D HN 0.377 nan 8.370 nan 0.000 0.497 389 C N 0.305 119.604 119.300 -0.001 0.000 2.364 389 C HA 0.487 4.947 4.460 0.001 0.000 0.324 389 C C 1.042 175.997 174.990 -0.058 0.000 1.234 389 C CA -1.009 57.987 59.018 -0.036 0.000 1.417 389 C CB -0.738 26.958 27.740 -0.075 0.000 2.101 389 C HN 0.367 nan 8.230 nan 0.000 0.466 390 F N 3.905 123.765 119.950 -0.150 0.000 2.146 390 F HA 0.084 4.611 4.527 0.000 0.000 0.298 390 F C 2.029 177.649 175.800 -0.301 0.000 1.096 390 F CA 2.709 60.635 58.000 -0.124 0.000 1.275 390 F CB -0.335 38.519 39.000 -0.243 0.000 1.008 390 F HN 0.784 nan 8.300 nan 0.000 0.480 391 E N 0.128 120.006 120.200 -0.537 0.000 2.097 391 E HA -0.229 4.121 4.350 0.001 0.000 0.196 391 E C 2.189 178.036 176.600 -1.257 0.000 1.000 391 E CA 1.799 57.569 56.400 -1.050 0.000 0.804 391 E CB -1.427 27.624 29.700 -1.082 0.000 0.740 391 E HN 0.534 nan 8.360 nan 0.000 0.454 392 S N -0.048 115.241 115.700 -0.685 0.000 2.372 392 S HA -0.178 4.292 4.470 0.001 0.000 0.227 392 S C 2.017 176.426 174.600 -0.319 0.000 1.044 392 S CA 1.617 59.647 58.200 -0.284 0.000 1.050 392 S CB -0.549 62.452 63.200 -0.331 0.000 0.901 392 S HN 0.710 nan 8.310 nan 0.000 0.447 393 Y N 1.656 121.753 120.300 -0.338 0.000 2.242 393 Y HA -0.011 4.539 4.550 0.001 0.000 0.291 393 Y C 2.321 178.007 175.900 -0.357 0.000 1.137 393 Y CA 0.591 58.517 58.100 -0.290 0.000 1.181 393 Y CB -0.375 37.887 38.460 -0.330 0.000 0.989 393 Y HN 0.165 nan 8.280 nan 0.000 0.527 394 K N -1.006 119.057 120.400 -0.563 0.000 2.057 394 K HA -0.207 4.114 4.320 0.001 0.000 0.207 394 K C 1.777 178.312 176.600 -0.110 0.000 1.049 394 K CA 1.451 57.371 56.287 -0.610 0.000 0.931 394 K CB -0.377 31.520 32.500 -1.006 0.000 0.714 394 K HN 0.346 nan 8.250 nan 0.000 0.440 395 W N 0.995 122.253 121.300 -0.070 0.000 2.465 395 W HA -0.086 4.574 4.660 -0.000 0.000 0.268 395 W C 2.323 178.915 176.519 0.121 0.000 1.242 395 W CA 1.547 58.912 57.345 0.033 0.000 1.248 395 W CB -1.072 28.388 29.460 -0.000 0.000 1.118 395 W HN 0.257 nan 8.180 nan 0.000 0.587 396 T N -3.043 111.688 114.554 0.294 0.000 3.014 396 T HA -0.101 4.249 4.350 0.001 0.000 0.263 396 T C 1.311 176.226 174.700 0.358 0.000 1.078 396 T CA 1.308 63.583 62.100 0.291 0.000 1.135 396 T CB -0.233 68.760 68.868 0.208 0.000 0.895 396 T HN -0.199 nan 8.240 nan 0.000 0.480 397 D N 1.527 122.104 120.400 0.295 0.000 2.117 397 D HA -0.023 4.617 4.640 0.001 0.000 0.197 397 D C 2.096 178.529 176.300 0.222 0.000 0.987 397 D CA 0.710 54.869 54.000 0.265 0.000 0.829 397 D CB -0.200 40.767 40.800 0.279 0.000 0.961 397 D HN 0.321 nan 8.370 nan 0.000 0.460 398 I N 0.387 121.114 120.570 0.262 0.000 2.179 398 I HA -0.228 3.943 4.170 0.001 0.000 0.242 398 I C 2.426 178.761 176.117 0.363 0.000 1.088 398 I CA 0.769 62.201 61.300 0.221 0.000 1.357 398 I CB -1.255 36.886 38.000 0.236 0.000 1.051 398 I HN 0.313 nan 8.210 nan 0.000 0.409 399 W N 2.650 124.119 121.300 0.282 0.000 2.301 399 W HA -0.349 4.311 4.660 0.001 0.000 0.325 399 W C 2.601 179.402 176.519 0.470 0.000 1.250 399 W CA 2.901 60.481 57.345 0.391 0.000 1.261 399 W CB -0.486 29.168 29.460 0.323 0.000 1.157 399 W HN 0.183 nan 8.180 nan 0.000 0.473 400 A N 0.119 123.352 122.820 0.689 0.000 1.948 400 A HA -0.272 4.049 4.320 0.001 0.000 0.220 400 A C 1.960 179.868 177.584 0.541 0.000 1.177 400 A CA 1.864 54.287 52.037 0.644 0.000 0.636 400 A CB -1.607 17.777 19.000 0.640 0.000 0.815 400 A HN 0.474 nan 8.150 nan 0.000 0.449 401 F N 0.945 121.025 119.950 0.215 0.000 2.102 401 F HA -0.036 4.491 4.527 0.001 0.000 0.298 401 F C 2.381 178.250 175.800 0.116 0.000 1.105 401 F CA 1.639 59.679 58.000 0.065 0.000 1.239 401 F CB -0.692 38.144 39.000 -0.274 0.000 0.991 401 F HN 0.230 nan 8.300 nan 0.000 0.474 402 G N 0.878 109.802 108.800 0.206 0.000 2.469 402 G HA2 -0.273 3.687 3.960 0.001 0.000 0.219 402 G HA3 -0.273 3.687 3.960 0.001 0.000 0.219 402 G C 1.716 176.729 174.900 0.188 0.000 1.150 402 G CA 1.349 46.389 45.100 -0.100 0.000 0.763 402 G HN 0.446 nan 8.290 nan 0.000 0.561 403 L N 0.133 121.610 121.223 0.424 0.000 2.093 403 L HA -0.059 4.282 4.340 0.001 0.000 0.208 403 L C 2.946 180.043 176.870 0.378 0.000 1.085 403 L CA 0.367 55.442 54.840 0.393 0.000 0.755 403 L CB -0.562 41.661 42.059 0.274 0.000 0.904 403 L HN 0.093 nan 8.230 nan 0.000 0.435 404 V N 0.160 120.237 119.914 0.272 0.000 2.427 404 V HA -0.253 3.867 4.120 0.001 0.000 0.248 404 V C 2.450 178.556 176.094 0.020 0.000 1.051 404 V CA 1.383 63.770 62.300 0.144 0.000 1.048 404 V CB -0.287 31.565 31.823 0.048 0.000 0.666 404 V HN 0.339 nan 8.190 nan 0.000 0.456 405 L N -1.537 119.623 121.223 -0.105 0.000 2.017 405 L HA -0.229 4.111 4.340 0.001 0.000 0.208 405 L C 2.330 179.220 176.870 0.033 0.000 1.073 405 L CA 2.343 57.117 54.840 -0.110 0.000 0.745 405 L CB -0.571 41.396 42.059 -0.154 0.000 0.894 405 L HN 0.518 nan 8.230 nan 0.000 0.432 406 W N 1.533 122.812 121.300 -0.035 0.000 2.302 406 W HA -0.285 4.376 4.660 0.001 0.000 0.320 406 W C 2.470 178.976 176.519 -0.021 0.000 1.241 406 W CA 2.202 59.554 57.345 0.013 0.000 1.264 406 W CB -0.141 29.395 29.460 0.128 0.000 1.154 406 W HN 0.129 nan 8.180 nan 0.000 0.483 407 E N -0.195 120.152 120.200 0.244 0.000 2.085 407 E HA -0.273 4.078 4.350 0.001 0.000 0.194 407 E C 2.095 178.652 176.600 -0.072 0.000 0.994 407 E CA 1.953 58.392 56.400 0.064 0.000 0.801 407 E CB -0.552 29.327 29.700 0.299 0.000 0.743 407 E HN 0.412 nan 8.360 nan 0.000 0.453 408 I N 1.026 121.574 120.570 -0.036 0.000 2.202 408 I HA -0.253 3.918 4.170 0.001 0.000 0.242 408 I C 2.610 178.647 176.117 -0.132 0.000 1.091 408 I CA 0.917 62.184 61.300 -0.054 0.000 1.368 408 I CB -0.369 37.605 38.000 -0.042 0.000 1.058 408 I HN 0.079 nan 8.210 nan 0.000 0.410 409 A N 0.941 123.651 122.820 -0.184 0.000 1.883 409 A HA -0.274 4.046 4.320 0.001 0.000 0.217 409 A C 2.431 179.827 177.584 -0.312 0.000 1.186 409 A CA 2.004 53.909 52.037 -0.221 0.000 0.624 409 A CB -0.759 18.108 19.000 -0.220 0.000 0.822 409 A HN 0.377 nan 8.150 nan 0.000 0.444 410 R N -1.073 119.113 120.500 -0.523 0.000 2.139 410 R HA -0.139 4.201 4.340 0.001 0.000 0.243 410 R C 1.753 177.843 176.300 -0.349 0.000 1.145 410 R CA 1.771 57.522 56.100 -0.581 0.000 0.976 410 R CB -0.123 29.601 30.300 -0.959 0.000 0.866 410 R HN 0.287 nan 8.270 nan 0.000 0.449 411 R N 0.054 120.400 120.500 -0.257 0.000 2.388 411 R HA 0.138 4.479 4.340 0.001 0.000 0.247 411 R C -0.794 175.428 176.300 -0.131 0.000 0.931 411 R CA 0.264 56.264 56.100 -0.165 0.000 1.082 411 R CB 0.394 30.632 30.300 -0.103 0.000 1.135 411 R HN 0.034 nan 8.270 nan 0.000 0.525 412 T N 0.727 115.200 114.554 -0.135 0.000 2.799 412 T HA 0.405 4.755 4.350 0.001 0.000 0.286 412 T C 0.059 174.705 174.700 -0.090 0.000 0.973 412 T CA -0.432 61.610 62.100 -0.097 0.000 1.035 412 T CB 1.224 70.038 68.868 -0.091 0.000 0.932 412 T HN 0.009 nan 8.240 nan 0.000 0.469 413 I N 3.184 123.713 120.570 -0.068 0.000 2.352 413 I HA 0.482 4.653 4.170 0.001 0.000 0.290 413 I C -0.135 175.953 176.117 -0.048 0.000 1.036 413 I CA -0.511 60.752 61.300 -0.061 0.000 1.336 413 I CB 0.984 38.952 38.000 -0.053 0.000 1.407 413 I HN 0.223 nan 8.210 nan 0.000 0.497 414 V N 7.413 127.297 119.914 -0.049 0.000 2.567 414 V HA 0.388 4.508 4.120 0.001 0.000 0.298 414 V C -0.084 175.989 176.094 -0.036 0.000 1.047 414 V CA -0.325 61.951 62.300 -0.040 0.000 0.880 414 V CB 1.363 33.160 31.823 -0.043 0.000 1.009 414 V HN 0.889 nan 8.190 nan 0.000 0.429 415 N N 4.569 123.252 118.700 -0.028 0.000 2.778 415 N HA -0.191 4.550 4.740 0.001 0.000 0.249 415 N C 1.056 176.550 175.510 -0.027 0.000 1.069 415 N CA 2.311 55.346 53.050 -0.025 0.000 0.831 415 N CB -1.275 37.198 38.487 -0.023 0.000 1.142 415 N HN 1.874 nan 8.380 nan 0.000 0.573 416 G N -1.792 106.988 108.800 -0.032 0.000 2.213 416 G HA2 -0.274 3.687 3.960 0.001 0.000 0.226 416 G HA3 -0.274 3.687 3.960 0.001 0.000 0.226 416 G C -0.023 174.853 174.900 -0.040 0.000 0.992 416 G CA 0.145 45.225 45.100 -0.034 0.000 0.632 416 G HN 0.368 nan 8.290 nan 0.000 0.511 417 I N 1.001 121.545 120.570 -0.043 0.000 2.365 417 I HA 0.714 4.885 4.170 0.001 0.000 0.291 417 I C 0.226 176.303 176.117 -0.067 0.000 1.004 417 I CA -0.908 60.361 61.300 -0.051 0.000 1.311 417 I CB 1.828 39.799 38.000 -0.048 0.000 1.401 417 I HN 0.113 nan 8.210 nan 0.000 0.491 418 V N 5.678 125.546 119.914 -0.076 0.000 2.969 418 V HA 0.441 4.562 4.120 0.001 0.000 0.304 418 V C -0.907 175.122 176.094 -0.108 0.000 1.192 418 V CA -0.469 61.772 62.300 -0.098 0.000 0.962 418 V CB 2.319 34.083 31.823 -0.097 0.000 1.045 418 V HN 0.709 nan 8.190 nan 0.000 0.428 419 E N 2.516 122.631 120.200 -0.142 0.000 2.283 419 E HA 0.321 4.672 4.350 0.001 0.000 0.271 419 E C -1.019 175.487 176.600 -0.157 0.000 1.031 419 E CA -0.428 55.878 56.400 -0.157 0.000 0.868 419 E CB 1.436 31.008 29.700 -0.213 0.000 1.094 419 E HN 0.931 nan 8.360 nan 0.000 0.401 420 D N 0.445 120.763 120.400 -0.137 0.000 2.368 420 D HA -0.078 4.563 4.640 0.001 0.000 0.240 420 D C -0.115 176.102 176.300 -0.138 0.000 1.169 420 D CA -0.078 53.858 54.000 -0.108 0.000 0.906 420 D CB 0.099 40.854 40.800 -0.075 0.000 1.187 420 D HN 0.321 nan 8.370 nan 0.000 0.435 421 Y N 0.922 121.106 120.300 -0.193 0.000 2.620 421 Y HA 0.134 4.685 4.550 0.001 0.000 0.330 421 Y C -0.011 175.783 175.900 -0.176 0.000 1.186 421 Y CA 0.382 58.359 58.100 -0.206 0.000 1.467 421 Y CB 0.448 38.774 38.460 -0.224 0.000 1.262 421 Y HN 0.179 nan 8.280 nan 0.000 0.550 422 R N 6.792 126.699 120.500 -0.988 0.000 2.725 422 R HA 0.409 4.750 4.340 0.001 0.000 0.277 422 R C -2.875 172.982 176.300 -0.739 0.000 0.987 422 R CA -2.101 53.576 56.100 -0.704 0.000 0.901 422 R CB 1.769 31.665 30.300 -0.673 0.000 1.207 422 R HN 0.490 nan 8.270 nan 0.000 0.463 423 P HA 0.282 nan 4.420 nan 0.000 0.276 423 P C -2.590 174.801 177.300 0.151 0.000 1.252 423 P CA -1.755 61.417 63.100 0.120 0.000 0.802 423 P CB -0.237 31.634 31.700 0.285 0.000 1.035 424 P HA 0.037 nan 4.420 nan 0.000 0.266 424 P C -0.231 176.891 177.300 -0.298 0.000 1.195 424 P CA 0.456 63.237 63.100 -0.532 0.000 0.768 424 P CB -0.357 31.013 31.700 -0.550 0.000 0.838 425 F N -0.409 119.287 119.950 -0.423 0.000 3.034 425 F HA -0.280 4.248 4.527 0.001 0.000 0.286 425 F C 1.460 177.113 175.800 -0.245 0.000 0.804 425 F CA 0.851 58.644 58.000 -0.345 0.000 1.161 425 F CB -3.099 35.719 39.000 -0.304 0.000 1.317 425 F HN 0.452 nan 8.300 nan 0.000 0.453 426 Y N 0.729 121.002 120.300 -0.045 0.000 2.241 426 Y HA -0.214 4.336 4.550 0.001 0.000 0.286 426 Y C 1.870 177.781 175.900 0.019 0.000 1.166 426 Y CA 1.666 59.774 58.100 0.013 0.000 1.203 426 Y CB -0.700 37.776 38.460 0.027 0.000 0.977 426 Y HN 0.321 nan 8.280 nan 0.000 0.529 427 D N 0.185 119.920 120.400 -1.108 0.000 2.350 427 D HA 0.049 4.690 4.640 0.001 0.000 0.213 427 D C 1.438 177.542 176.300 -0.328 0.000 1.031 427 D CA 1.007 54.544 54.000 -0.773 0.000 0.861 427 D CB -0.069 40.136 40.800 -0.992 0.000 0.926 427 D HN 0.465 nan 8.370 nan 0.000 0.520 428 V N -0.210 119.567 119.914 -0.229 0.000 3.548 428 V HA 0.408 4.529 4.120 0.001 0.000 0.279 428 V C 0.687 176.726 176.094 -0.091 0.000 1.446 428 V CA 0.774 62.999 62.300 -0.124 0.000 1.023 428 V CB 0.604 32.376 31.823 -0.085 0.000 0.820 428 V HN 0.142 nan 8.190 nan 0.000 0.438 429 V N -2.853 117.018 119.914 -0.072 0.000 3.007 429 V HA 0.880 5.000 4.120 0.001 0.000 0.311 429 V C -2.975 173.109 176.094 -0.016 0.000 1.120 429 V CA -2.123 60.143 62.300 -0.056 0.000 0.980 429 V CB 1.754 33.524 31.823 -0.089 0.000 1.033 429 V HN 0.152 nan 8.190 nan 0.000 0.429 430 P HA 0.233 nan 4.420 nan 0.000 0.273 430 P C 0.568 177.891 177.300 0.039 0.000 1.250 430 P CA 0.064 63.175 63.100 0.018 0.000 0.793 430 P CB 0.440 32.149 31.700 0.014 0.000 1.011 431 N N 0.475 119.209 118.700 0.056 0.000 2.049 431 N HA -0.225 4.516 4.740 0.001 0.000 0.198 431 N C -0.096 175.457 175.510 0.071 0.000 1.030 431 N CA 1.775 54.871 53.050 0.077 0.000 0.870 431 N CB -1.382 37.151 38.487 0.076 0.000 1.045 431 N HN 0.337 nan 8.380 nan 0.000 0.434 432 D N 1.451 121.883 120.400 0.053 0.000 2.493 432 D HA 0.339 4.980 4.640 0.001 0.000 0.235 432 D C -2.424 173.897 176.300 0.035 0.000 1.117 432 D CA -1.573 52.457 54.000 0.050 0.000 0.930 432 D CB 0.924 41.752 40.800 0.048 0.000 1.010 432 D HN 0.318 nan 8.370 nan 0.000 0.514 433 P HA 0.112 nan 4.420 nan 0.000 0.275 433 P C -0.075 177.228 177.300 0.005 0.000 1.227 433 P CA -0.452 62.643 63.100 -0.008 0.000 0.781 433 P CB 1.162 32.832 31.700 -0.049 0.000 0.906 434 S N 1.784 117.489 115.700 0.009 0.000 2.681 434 S HA 0.253 4.723 4.470 0.001 0.000 0.270 434 S C 1.049 175.681 174.600 0.054 0.000 1.209 434 S CA -0.504 57.728 58.200 0.053 0.000 0.988 434 S CB 0.192 63.427 63.200 0.058 0.000 1.006 434 S HN 0.347 nan 8.310 nan 0.000 0.558 435 F N 1.720 121.658 119.950 -0.020 0.000 2.126 435 F HA -0.099 4.428 4.527 0.001 0.000 0.299 435 F C 2.656 178.426 175.800 -0.050 0.000 1.096 435 F CA 2.245 60.227 58.000 -0.030 0.000 1.255 435 F CB -0.264 38.727 39.000 -0.015 0.000 0.997 435 F HN 0.941 nan 8.300 nan 0.000 0.479 436 E N -0.569 119.749 120.200 0.197 0.000 2.107 436 E HA -0.199 4.151 4.350 0.001 0.000 0.191 436 E C 1.644 178.248 176.600 0.007 0.000 0.982 436 E CA 1.512 57.970 56.400 0.098 0.000 0.809 436 E CB -0.513 29.226 29.700 0.065 0.000 0.756 436 E HN 0.307 nan 8.360 nan 0.000 0.459 437 D N 0.643 121.033 120.400 -0.017 0.000 2.123 437 D HA -0.153 4.488 4.640 0.001 0.000 0.196 437 D C 1.987 178.204 176.300 -0.139 0.000 0.992 437 D CA 1.330 55.290 54.000 -0.067 0.000 0.833 437 D CB -0.102 40.661 40.800 -0.062 0.000 0.954 437 D HN 0.290 nan 8.370 nan 0.000 0.455 438 M N 0.602 120.092 119.600 -0.183 0.000 2.123 438 M HA -0.080 4.400 4.480 0.001 0.000 0.263 438 M C 2.106 178.247 176.300 -0.266 0.000 1.069 438 M CA 0.893 56.011 55.300 -0.303 0.000 1.133 438 M CB -0.972 31.412 32.600 -0.361 0.000 1.356 438 M HN -0.007 nan 8.290 nan 0.000 0.415 439 K N 0.966 121.259 120.400 -0.178 0.000 2.059 439 K HA -0.263 4.057 4.320 0.001 0.000 0.212 439 K C 2.126 178.663 176.600 -0.106 0.000 1.050 439 K CA 2.065 58.286 56.287 -0.110 0.000 0.927 439 K CB -0.187 32.320 32.500 0.013 0.000 0.714 439 K HN 0.248 nan 8.250 nan 0.000 0.447 440 K N 0.304 120.649 120.400 -0.092 0.000 2.026 440 K HA -0.117 4.203 4.320 0.001 0.000 0.208 440 K C 1.982 178.517 176.600 -0.108 0.000 1.048 440 K CA 1.564 57.803 56.287 -0.081 0.000 0.929 440 K CB -0.016 32.445 32.500 -0.065 0.000 0.713 440 K HN 0.057 nan 8.250 nan 0.000 0.439 441 V N 0.618 120.435 119.914 -0.161 0.000 2.307 441 V HA -0.187 3.933 4.120 0.001 0.000 0.245 441 V C 2.263 178.247 176.094 -0.184 0.000 1.045 441 V CA 1.496 63.684 62.300 -0.187 0.000 1.024 441 V CB 0.089 31.735 31.823 -0.294 0.000 0.651 441 V HN 0.197 nan 8.190 nan 0.000 0.449 442 V N -1.586 118.179 119.914 -0.249 0.000 2.649 442 V HA -0.133 3.987 4.120 0.001 0.000 0.248 442 V C 2.169 178.193 176.094 -0.116 0.000 1.054 442 V CA 1.744 63.932 62.300 -0.186 0.000 1.073 442 V CB 0.001 31.660 31.823 -0.274 0.000 0.699 442 V HN 0.622 nan 8.190 nan 0.000 0.463 443 C N -1.297 117.929 119.300 -0.122 0.000 2.480 443 C HA 0.136 4.597 4.460 0.001 0.000 0.304 443 C C 2.596 177.552 174.990 -0.056 0.000 1.399 443 C CA 0.210 59.175 59.018 -0.088 0.000 1.900 443 C CB -0.115 27.572 27.740 -0.089 0.000 2.194 443 C HN 0.353 nan 8.230 nan 0.000 0.550 444 V N 1.901 121.782 119.914 -0.055 0.000 2.270 444 V HA -0.155 3.965 4.120 0.001 0.000 0.245 444 V C 1.760 177.835 176.094 -0.033 0.000 1.043 444 V CA 2.238 64.515 62.300 -0.039 0.000 1.014 444 V CB -0.767 31.034 31.823 -0.037 0.000 0.645 444 V HN 0.439 nan 8.190 nan 0.000 0.447 445 D N -0.959 119.416 120.400 -0.041 0.000 2.347 445 D HA 0.004 4.644 4.640 0.001 0.000 0.215 445 D C 1.421 177.712 176.300 -0.015 0.000 0.976 445 D CA 0.416 54.398 54.000 -0.030 0.000 0.884 445 D CB -0.209 40.567 40.800 -0.040 0.000 0.915 445 D HN 0.484 nan 8.370 nan 0.000 0.526 446 Q N 0.118 119.910 119.800 -0.013 0.000 2.457 446 Q HA -0.245 4.096 4.340 0.001 0.000 0.283 446 Q C -0.680 175.343 176.000 0.038 0.000 1.234 446 Q CA 0.479 56.292 55.803 0.018 0.000 0.877 446 Q CB -1.530 27.222 28.738 0.025 0.000 1.250 446 Q HN 0.358 nan 8.270 nan 0.000 0.481 447 Q N 0.042 119.861 119.800 0.031 0.000 2.259 447 Q HA 0.541 4.882 4.340 0.001 0.000 0.246 447 Q C -0.091 175.970 176.000 0.102 0.000 0.920 447 Q CA 0.543 56.375 55.803 0.049 0.000 0.895 447 Q CB 1.279 30.044 28.738 0.044 0.000 1.220 447 Q HN 0.426 nan 8.270 nan 0.000 0.439 448 T N -0.858 113.655 114.554 -0.069 0.000 2.906 448 T HA 0.589 4.940 4.350 0.001 0.000 0.295 448 T C -2.651 171.638 174.700 -0.685 0.000 1.075 448 T CA -2.226 59.608 62.100 -0.444 0.000 1.005 448 T CB 1.275 69.843 68.868 -0.500 0.000 1.136 448 T HN 0.253 nan 8.240 nan 0.000 0.498 449 P HA 0.188 nan 4.420 nan 0.000 0.265 449 P C 0.078 177.129 177.300 -0.415 0.000 1.193 449 P CA -0.035 62.388 63.100 -1.130 0.000 0.765 449 P CB 0.162 30.703 31.700 -1.932 0.000 0.823 450 T N 3.017 117.501 114.554 -0.117 0.000 2.870 450 T HA 0.209 4.560 4.350 0.001 0.000 0.300 450 T C 0.207 175.102 174.700 0.325 0.000 0.989 450 T CA -0.370 61.794 62.100 0.106 0.000 1.139 450 T CB -0.398 68.537 68.868 0.113 0.000 0.920 450 T HN 0.077 nan 8.240 nan 0.000 0.537 451 I N 8.364 129.093 120.570 0.266 0.000 2.379 451 I HA 0.267 4.437 4.170 0.001 0.000 0.290 451 I C -1.768 174.437 176.117 0.146 0.000 1.063 451 I CA -2.062 59.391 61.300 0.254 0.000 1.351 451 I CB 0.928 39.033 38.000 0.176 0.000 1.410 451 I HN 0.541 nan 8.210 nan 0.000 0.505 452 P HA 0.041 nan 4.420 nan 0.000 0.257 452 P C 0.970 178.282 177.300 0.021 0.000 1.189 452 P CA 0.407 63.529 63.100 0.036 0.000 0.780 452 P CB 0.128 31.804 31.700 -0.040 0.000 0.772 453 N N 4.307 123.023 118.700 0.027 0.000 2.247 453 N HA -0.284 4.457 4.740 0.001 0.000 0.189 453 N C 1.776 177.287 175.510 0.002 0.000 1.009 453 N CA 1.830 54.891 53.050 0.018 0.000 0.872 453 N CB -0.823 37.675 38.487 0.019 0.000 0.980 453 N HN 0.535 nan 8.380 nan 0.000 0.436 454 R N -0.045 120.450 120.500 -0.009 0.000 2.159 454 R HA -0.023 4.318 4.340 0.001 0.000 0.237 454 R C 1.767 178.052 176.300 -0.026 0.000 1.131 454 R CA 1.300 57.388 56.100 -0.021 0.000 0.982 454 R CB -0.475 29.806 30.300 -0.031 0.000 0.868 454 R HN 0.463 nan 8.270 nan 0.000 0.453 455 L N 1.064 122.270 121.223 -0.029 0.000 2.261 455 L HA -0.127 4.214 4.340 0.001 0.000 0.216 455 L C 2.673 179.529 176.870 -0.023 0.000 1.114 455 L CA 1.564 56.384 54.840 -0.033 0.000 0.777 455 L CB -0.361 41.677 42.059 -0.035 0.000 0.910 455 L HN 0.344 nan 8.230 nan 0.000 0.440 456 A N -0.442 122.370 122.820 -0.013 0.000 2.015 456 A HA 0.019 4.339 4.320 0.001 0.000 0.219 456 A C 2.011 179.589 177.584 -0.010 0.000 1.163 456 A CA 1.283 53.314 52.037 -0.009 0.000 0.646 456 A CB -0.549 18.450 19.000 -0.002 0.000 0.806 456 A HN 0.323 nan 8.150 nan 0.000 0.448 457 A N -0.848 121.964 122.820 -0.012 0.000 2.734 457 A HA 0.514 4.835 4.320 0.001 0.000 0.279 457 A C 0.342 177.918 177.584 -0.013 0.000 1.386 457 A CA 0.869 52.899 52.037 -0.011 0.000 0.987 457 A CB -1.354 17.639 19.000 -0.012 0.000 1.041 457 A HN 0.751 nan 8.150 nan 0.000 0.569 458 D N -0.173 120.218 120.400 -0.014 0.000 2.654 458 D HA 0.537 5.177 4.640 0.001 0.000 0.231 458 D C -2.573 173.719 176.300 -0.013 0.000 1.239 458 D CA -0.498 53.493 54.000 -0.014 0.000 0.790 458 D CB 1.053 41.842 40.800 -0.019 0.000 1.480 458 D HN -0.045 nan 8.370 nan 0.000 0.442 459 P HA 0.055 nan 4.420 nan 0.000 0.221 459 P C 1.551 178.843 177.300 -0.012 0.000 1.155 459 P CA 0.640 63.734 63.100 -0.009 0.000 0.812 459 P CB 0.450 32.146 31.700 -0.005 0.000 0.801 460 V N 0.560 120.466 119.914 -0.013 0.000 2.302 460 V HA -0.190 3.931 4.120 0.001 0.000 0.243 460 V C 3.239 179.318 176.094 -0.025 0.000 1.036 460 V CA 2.084 64.373 62.300 -0.017 0.000 1.020 460 V CB -1.571 30.244 31.823 -0.013 0.000 0.657 460 V HN -0.032 nan 8.190 nan 0.000 0.453 461 L N -0.858 120.348 121.223 -0.028 0.000 2.012 461 L HA -0.200 4.141 4.340 0.001 0.000 0.210 461 L C 2.593 179.444 176.870 -0.033 0.000 1.073 461 L CA 2.957 57.776 54.840 -0.035 0.000 0.748 461 L CB -1.822 40.215 42.059 -0.036 0.000 0.891 461 L HN 0.483 nan 8.230 nan 0.000 0.431 462 S N -0.609 115.076 115.700 -0.025 0.000 2.469 462 S HA -0.375 4.095 4.470 0.001 0.000 0.309 462 S C 2.193 176.777 174.600 -0.028 0.000 1.209 462 S CA 3.166 61.353 58.200 -0.022 0.000 1.281 462 S CB -1.169 62.021 63.200 -0.016 0.000 1.265 462 S HN 1.227 nan 8.310 nan 0.000 0.452 463 G N 0.441 109.224 108.800 -0.029 0.000 2.403 463 G HA2 -0.006 3.954 3.960 0.001 0.000 0.216 463 G HA3 -0.006 3.954 3.960 0.001 0.000 0.216 463 G C 1.474 176.344 174.900 -0.050 0.000 1.154 463 G CA 0.746 45.825 45.100 -0.035 0.000 0.784 463 G HN 0.524 nan 8.290 nan 0.000 0.538 464 L N 0.629 121.821 121.223 -0.052 0.000 2.046 464 L HA -0.111 4.230 4.340 0.001 0.000 0.208 464 L C 3.423 180.235 176.870 -0.098 0.000 1.077 464 L CA 1.103 55.902 54.840 -0.068 0.000 0.747 464 L CB -0.416 41.605 42.059 -0.063 0.000 0.896 464 L HN 0.329 nan 8.230 nan 0.000 0.432 465 A N -0.497 122.276 122.820 -0.078 0.000 1.908 465 A HA -0.299 4.021 4.320 0.001 0.000 0.218 465 A C 2.182 179.696 177.584 -0.116 0.000 1.181 465 A CA 1.989 53.979 52.037 -0.080 0.000 0.627 465 A CB -0.530 18.448 19.000 -0.036 0.000 0.818 465 A HN 0.399 nan 8.150 nan 0.000 0.445 466 Q N -0.686 119.057 119.800 -0.093 0.000 2.119 466 Q HA -0.016 4.324 4.340 0.001 0.000 0.201 466 Q C 1.985 177.889 176.000 -0.161 0.000 0.972 466 Q CA 1.876 57.620 55.803 -0.098 0.000 0.847 466 Q CB -0.384 28.322 28.738 -0.054 0.000 0.903 466 Q HN 0.670 nan 8.270 nan 0.000 0.433 467 M N -1.066 118.440 119.600 -0.157 0.000 2.175 467 M HA -0.148 4.333 4.480 0.001 0.000 0.264 467 M C 2.103 178.202 176.300 -0.335 0.000 1.063 467 M CA 1.353 56.541 55.300 -0.186 0.000 1.119 467 M CB -0.117 32.418 32.600 -0.109 0.000 1.377 467 M HN 0.331 nan 8.290 nan 0.000 0.415 468 M N -0.446 118.901 119.600 -0.421 0.000 2.073 468 M HA -0.278 4.203 4.480 0.001 0.000 0.258 468 M C 2.137 177.782 176.300 -1.092 0.000 1.070 468 M CA 1.907 56.697 55.300 -0.850 0.000 1.103 468 M CB -0.269 31.888 32.600 -0.738 0.000 1.321 468 M HN 0.139 nan 8.290 nan 0.000 0.405 469 R N -0.165 119.972 120.500 -0.604 0.000 2.117 469 R HA -0.181 4.159 4.340 0.001 0.000 0.243 469 R C 1.667 177.565 176.300 -0.670 0.000 1.143 469 R CA 1.594 57.440 56.100 -0.423 0.000 0.968 469 R CB -0.536 29.643 30.300 -0.202 0.000 0.863 469 R HN 0.581 nan 8.270 nan 0.000 0.444 470 E N -0.510 119.295 120.200 -0.660 0.000 2.481 470 E HA -0.040 4.310 4.350 0.001 0.000 0.195 470 E C 1.502 177.800 176.600 -0.503 0.000 1.047 470 E CA 0.131 56.056 56.400 -0.792 0.000 0.867 470 E CB 0.183 29.687 29.700 -0.327 0.000 0.858 470 E HN 0.324 nan 8.360 nan 0.000 0.513 471 C N 0.043 119.052 119.300 -0.485 0.000 2.533 471 C HA 0.022 4.482 4.460 0.001 0.000 0.272 471 C C 1.149 176.115 174.990 -0.040 0.000 1.371 471 C CA -0.285 58.566 59.018 -0.278 0.000 1.758 471 C CB -0.568 26.931 27.740 -0.401 0.000 1.972 471 C HN 0.579 nan 8.230 nan 0.000 0.522 472 W N -0.687 120.496 121.300 -0.195 0.000 3.102 472 W HA 0.377 5.037 4.660 0.000 0.000 0.401 472 W C -0.086 176.537 176.519 0.172 0.000 1.070 472 W CA -1.346 55.950 57.345 -0.082 0.000 1.921 472 W CB -1.313 27.944 29.460 -0.340 0.000 1.118 472 W HN 0.239 nan 8.180 nan 0.000 0.647 473 Y N 2.673 123.161 120.300 0.313 0.000 2.717 473 Y HA 0.024 4.575 4.550 0.001 0.000 0.330 473 Y C -0.824 175.202 175.900 0.210 0.000 1.217 473 Y CA -1.764 56.455 58.100 0.197 0.000 1.506 473 Y CB -0.348 38.155 38.460 0.072 0.000 1.268 473 Y HN -0.148 nan 8.280 nan 0.000 0.561 474 P HA -0.189 nan 4.420 nan 0.000 0.216 474 P C 0.147 177.479 177.300 0.053 0.000 1.150 474 P CA 1.348 64.547 63.100 0.165 0.000 0.837 474 P CB 0.188 31.954 31.700 0.110 0.000 0.786 475 N N -0.215 118.496 118.700 0.017 0.000 2.402 475 N HA 0.044 4.785 4.740 0.001 0.000 0.252 475 N C -1.733 173.667 175.510 -0.183 0.000 1.118 475 N CA -1.442 51.549 53.050 -0.099 0.000 0.945 475 N CB 0.951 39.361 38.487 -0.128 0.000 1.147 475 N HN -0.103 nan 8.380 nan 0.000 0.495 476 P HA -0.147 nan 4.420 nan 0.000 0.217 476 P C 1.121 177.697 177.300 -1.207 0.000 1.148 476 P CA 1.272 64.066 63.100 -0.509 0.000 0.828 476 P CB 0.158 31.627 31.700 -0.384 0.000 0.783 477 S N -1.135 113.806 115.700 -1.264 0.000 2.522 477 S HA 0.088 4.559 4.470 0.001 0.000 0.227 477 S C 1.905 176.236 174.600 -0.448 0.000 0.986 477 S CA 0.700 58.189 58.200 -1.186 0.000 0.929 477 S CB -0.927 61.829 63.200 -0.739 0.000 0.769 477 S HN 0.111 nan 8.310 nan 0.000 0.529 478 A N 1.390 124.027 122.820 -0.305 0.000 2.169 478 A HA 0.217 4.538 4.320 0.001 0.000 0.212 478 A C 1.213 178.881 177.584 0.140 0.000 1.153 478 A CA -0.152 51.814 52.037 -0.118 0.000 0.756 478 A CB -0.168 18.685 19.000 -0.244 0.000 0.813 478 A HN 0.458 nan 8.150 nan 0.000 0.471 479 R N -0.463 120.085 120.500 0.079 0.000 2.582 479 R HA 0.459 4.799 4.340 0.001 0.000 0.271 479 R C -0.411 175.975 176.300 0.145 0.000 1.078 479 R CA -0.499 55.702 56.100 0.169 0.000 1.127 479 R CB 0.467 30.850 30.300 0.139 0.000 1.038 479 R HN 0.309 nan 8.270 nan 0.000 0.500 480 L N 1.323 122.602 121.223 0.094 0.000 2.467 480 L HA 0.066 4.407 4.340 0.001 0.000 0.270 480 L C 1.091 178.007 176.870 0.076 0.000 1.205 480 L CA 0.042 54.917 54.840 0.059 0.000 0.828 480 L CB 0.459 42.507 42.059 -0.018 0.000 1.101 480 L HN 0.772 nan 8.230 nan 0.000 0.479 481 T N -1.033 113.557 114.554 0.060 0.000 2.874 481 T HA 0.385 4.736 4.350 0.001 0.000 0.281 481 T C 1.035 175.684 174.700 -0.085 0.000 0.994 481 T CA -0.241 61.888 62.100 0.049 0.000 1.015 481 T CB 1.596 70.501 68.868 0.061 0.000 1.028 481 T HN 0.638 nan 8.240 nan 0.000 0.523 482 A N 0.872 123.603 122.820 -0.148 0.000 1.933 482 A HA 0.027 4.348 4.320 0.001 0.000 0.218 482 A C 2.166 179.612 177.584 -0.231 0.000 1.175 482 A CA 1.499 53.330 52.037 -0.343 0.000 0.628 482 A CB -1.070 17.632 19.000 -0.497 0.000 0.814 482 A HN 0.868 nan 8.150 nan 0.000 0.444 483 L N -0.559 120.592 121.223 -0.120 0.000 2.012 483 L HA -0.156 4.184 4.340 0.001 0.000 0.210 483 L C 2.475 179.305 176.870 -0.067 0.000 1.073 483 L CA 2.417 57.213 54.840 -0.073 0.000 0.748 483 L CB -0.381 41.660 42.059 -0.030 0.000 0.891 483 L HN 0.367 nan 8.230 nan 0.000 0.431 484 R N -0.270 120.195 120.500 -0.057 0.000 2.096 484 R HA -0.086 4.255 4.340 0.001 0.000 0.235 484 R C 2.107 178.367 176.300 -0.067 0.000 1.127 484 R CA 1.753 57.826 56.100 -0.044 0.000 0.968 484 R CB -0.523 29.765 30.300 -0.020 0.000 0.861 484 R HN 0.502 nan 8.270 nan 0.000 0.440 485 I N 0.432 120.930 120.570 -0.120 0.000 2.163 485 I HA -0.294 3.876 4.170 0.001 0.000 0.240 485 I C 2.435 178.491 176.117 -0.102 0.000 1.081 485 I CA 1.473 62.691 61.300 -0.138 0.000 1.353 485 I CB -0.420 37.409 38.000 -0.285 0.000 1.054 485 I HN 0.230 nan 8.210 nan 0.000 0.407 486 K N 1.678 122.002 120.400 -0.125 0.000 2.015 486 K HA -0.289 4.031 4.320 0.001 0.000 0.216 486 K C 2.137 178.714 176.600 -0.040 0.000 1.052 486 K CA 2.045 58.289 56.287 -0.072 0.000 0.937 486 K CB -0.100 32.357 32.500 -0.073 0.000 0.719 486 K HN 0.207 nan 8.250 nan 0.000 0.446 487 K N -0.312 120.065 120.400 -0.038 0.000 2.032 487 K HA -0.115 4.205 4.320 0.001 0.000 0.209 487 K C 2.256 178.844 176.600 -0.020 0.000 1.048 487 K CA 2.124 58.398 56.287 -0.022 0.000 0.927 487 K CB -0.284 32.206 32.500 -0.018 0.000 0.712 487 K HN 0.265 nan 8.250 nan 0.000 0.441 488 T N 2.074 116.613 114.554 -0.025 0.000 2.684 488 T HA -0.134 4.216 4.350 0.001 0.000 0.267 488 T C 1.886 176.575 174.700 -0.019 0.000 1.036 488 T CA 1.224 63.311 62.100 -0.021 0.000 1.148 488 T CB -0.261 68.591 68.868 -0.026 0.000 0.863 488 T HN 0.108 nan 8.240 nan 0.000 0.436 489 L N 0.815 122.027 121.223 -0.019 0.000 2.083 489 L HA -0.149 4.191 4.340 0.001 0.000 0.209 489 L C 2.864 179.721 176.870 -0.021 0.000 1.083 489 L CA 1.357 56.188 54.840 -0.015 0.000 0.752 489 L CB -0.630 41.430 42.059 0.002 0.000 0.899 489 L HN 0.331 nan 8.230 nan 0.000 0.433 490 Q N -0.023 119.766 119.800 -0.018 0.000 2.364 490 Q HA -0.187 4.153 4.340 0.001 0.000 0.209 490 Q C 1.891 177.881 176.000 -0.016 0.000 0.977 490 Q CA 0.994 56.786 55.803 -0.018 0.000 0.885 490 Q CB -0.016 28.715 28.738 -0.012 0.000 0.941 490 Q HN 0.522 nan 8.270 nan 0.000 0.464 491 K N 0.031 120.422 120.400 -0.015 0.000 2.365 491 K HA 0.044 4.365 4.320 0.001 0.000 0.197 491 K C 1.692 178.285 176.600 -0.013 0.000 1.042 491 K CA 0.516 56.796 56.287 -0.011 0.000 0.987 491 K CB 0.334 32.829 32.500 -0.009 0.000 0.779 491 K HN 0.214 nan 8.250 nan 0.000 0.484 492 I N 1.068 121.626 120.570 -0.019 0.000 2.852 492 I HA -0.117 4.054 4.170 0.001 0.000 0.264 492 I C 1.164 177.265 176.117 -0.027 0.000 1.179 492 I CA 0.090 61.377 61.300 -0.021 0.000 1.480 492 I CB 0.034 38.018 38.000 -0.026 0.000 1.111 492 I HN 0.016 nan 8.210 nan 0.000 0.441 493 S N 0.000 115.677 115.700 -0.039 0.000 2.498 493 S HA 0.000 4.471 4.470 0.001 0.000 0.327 493 S CA 0.000 58.167 58.200 -0.054 0.000 1.107 493 S CB 0.000 63.145 63.200 -0.091 0.000 0.593 493 S HN 0.000 nan 8.310 nan 0.000 0.517