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 1k4t_1_A DATA FIRST_RESID 201 DATA SEQUENCE QKWKWWEEER YPEGIKWKFL EHKGPVFAPP YEPLPENVKF YYDGKVMKLS DATA SEQUENCE PKAEEVATFF AKMLDHEYTT KEIFRKNFFK DWRKEMTNEE KNIITNLSKC DATA SEQUENCE DFTQMSQYFK AQTEARKQMS KEEKLKIKEE NEKLLKEYGF CIMDNHKERI DATA SEQUENCE ANFKIEPPGL FRGRGNHPKM GMLKRRIMPE DIIINCSKDA KVPSPPPGHK DATA SEQUENCE WKEVRHDNKV TWLVSWTENI QGSIKYIMLN PSSRIKGEKD WQKYETARRL DATA SEQUENCE KKCVDKIRNQ YREDWKSKEM KVRQRAVALY FIDKLALRAG NEKEEGETAD DATA SEQUENCE TVGCCSLRVE HINLHPELDG QEYVVEFDFL GKDSIRYYNK VPVEKRVFKN DATA SEQUENCE LQLFMENKQP EDDLFDRLNT GILNKHLQDL MEGLTAKVFR TYNASITLQQ DATA SEQUENCE QLKELTAPDE NIPAKILSYN RANRAVAILC NHQRAPPKTF EKSMMNLQTK DATA SEQUENCE IDAKKEQLAD ARRDLKSAKA DAKVMKDAKT KKVVESKKKA VQRLEEQLMK DATA SEQUENCE LEVQATDREE NKQIALGTSK LNXLDPRITV AWCKKWGVPI EKIYNKTQRE DATA SEQUENCE KFAWAIDMAD EDYEF 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 201 Q HA 0.000 nan 4.340 nan 0.000 0.214 201 Q C 0.000 176.076 176.000 0.126 0.000 1.003 201 Q CA 0.000 55.861 55.803 0.096 0.000 1.022 201 Q CB 0.000 28.803 28.738 0.108 0.000 1.108 202 K N -0.695 119.802 120.400 0.161 0.000 6.402 202 K HA 0.051 4.371 4.320 -0.000 0.000 0.650 202 K C -0.520 176.194 176.600 0.191 0.000 1.670 202 K CA 1.072 57.464 56.287 0.174 0.000 1.619 202 K CB -2.541 30.038 32.500 0.132 0.000 1.825 202 K HN 1.840 nan 8.250 nan 0.000 0.338 203 W N 4.233 125.526 121.300 -0.013 0.000 2.331 203 W HA 0.526 5.186 4.660 -0.001 0.000 0.306 203 W C 0.208 176.509 176.519 -0.364 0.000 1.162 203 W CA -1.357 55.906 57.345 -0.137 0.000 1.232 203 W CB 0.925 30.248 29.460 -0.228 0.000 1.235 203 W HN 0.558 nan 8.180 nan 0.000 0.479 204 K N 8.595 128.554 120.400 -0.736 0.000 2.222 204 K HA 0.007 4.327 4.320 -0.000 0.000 0.243 204 K C 1.263 176.744 176.600 -1.865 0.000 1.160 204 K CA -0.448 54.736 56.287 -1.838 0.000 1.090 204 K CB -0.188 31.504 32.500 -1.347 0.000 1.694 204 K HN 0.733 nan 8.250 nan 0.000 0.361 205 W N 1.433 121.583 121.300 -1.918 0.000 2.421 205 W HA -0.198 4.462 4.660 -0.000 0.000 0.270 205 W C 0.583 176.787 176.519 -0.525 0.000 1.233 205 W CA 0.329 56.776 57.345 -1.496 0.000 1.226 205 W CB -0.915 27.531 29.460 -1.690 0.000 1.121 205 W HN 0.569 nan 8.180 nan 0.000 0.579 206 W N 1.809 122.634 121.300 -0.791 0.000 2.611 206 W HA 0.111 4.771 4.660 -0.001 0.000 0.251 206 W C 1.339 177.846 176.519 -0.021 0.000 1.265 206 W CA 1.178 58.282 57.345 -0.401 0.000 1.295 206 W CB -1.203 27.705 29.460 -0.920 0.000 1.129 206 W HN -0.071 nan 8.180 nan 0.000 0.630 207 E N 0.692 120.723 120.200 -0.280 0.000 2.447 207 E HA -0.015 4.335 4.350 -0.000 0.000 0.195 207 E C 0.759 177.392 176.600 0.056 0.000 1.028 207 E CA 0.153 56.515 56.400 -0.062 0.000 0.876 207 E CB 0.077 29.667 29.700 -0.183 0.000 0.885 207 E HN 0.271 nan 8.360 nan 0.000 0.500 208 E N 1.476 121.734 120.200 0.097 0.000 2.369 208 E HA 0.058 4.408 4.350 -0.000 0.000 0.255 208 E C -0.083 176.635 176.600 0.196 0.000 1.172 208 E CA -0.003 56.515 56.400 0.195 0.000 0.932 208 E CB 0.622 30.516 29.700 0.323 0.000 1.040 208 E HN 0.096 nan 8.360 nan 0.000 0.454 209 E N 1.469 121.767 120.200 0.164 0.000 2.324 209 E HA -0.010 4.340 4.350 -0.000 0.000 0.271 209 E C -0.259 176.418 176.600 0.128 0.000 1.028 209 E CA -0.367 56.101 56.400 0.114 0.000 0.890 209 E CB 0.557 30.297 29.700 0.067 0.000 1.004 209 E HN 0.142 nan 8.360 nan 0.000 0.431 210 R N 3.303 123.861 120.500 0.098 0.000 2.500 210 R HA -0.142 4.198 4.340 -0.000 0.000 0.281 210 R C -0.418 175.936 176.300 0.090 0.000 0.953 210 R CA 0.557 56.712 56.100 0.092 0.000 1.108 210 R CB 0.062 30.361 30.300 -0.002 0.000 0.901 210 R HN 0.528 nan 8.270 nan 0.000 0.410 211 Y N 4.607 124.936 120.300 0.047 0.000 2.544 211 Y HA 0.026 4.576 4.550 -0.000 0.000 0.330 211 Y C -1.299 174.602 175.900 0.002 0.000 1.136 211 Y CA -0.909 57.215 58.100 0.041 0.000 1.417 211 Y CB 0.255 38.742 38.460 0.046 0.000 1.229 211 Y HN 0.527 nan 8.280 nan 0.000 0.532 212 P HA -0.104 nan 4.420 nan 0.000 0.272 212 P C -0.531 176.786 177.300 0.029 0.000 1.239 212 P CA -0.039 63.027 63.100 -0.057 0.000 0.807 212 P CB 0.491 32.109 31.700 -0.136 0.000 0.951 213 E N -0.132 120.064 120.200 -0.006 0.000 2.319 213 E HA 0.355 4.704 4.350 -0.000 0.000 0.268 213 E C 1.104 177.696 176.600 -0.013 0.000 1.050 213 E CA 0.657 57.053 56.400 -0.006 0.000 0.878 213 E CB 0.975 30.661 29.700 -0.023 0.000 1.066 213 E HN 0.649 nan 8.360 nan 0.000 0.406 214 G N 4.382 113.169 108.800 -0.022 0.000 5.353 214 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.283 214 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.283 214 G C 0.461 175.321 174.900 -0.066 0.000 1.457 214 G CA 0.135 45.208 45.100 -0.046 0.000 0.951 214 G HN 0.561 nan 8.290 nan 0.000 0.731 215 I N 2.677 123.213 120.570 -0.057 0.000 2.618 215 I HA 0.134 4.304 4.170 -0.000 0.000 0.284 215 I C 1.478 177.586 176.117 -0.014 0.000 1.146 215 I CA -0.105 61.137 61.300 -0.095 0.000 1.425 215 I CB 1.205 39.165 38.000 -0.067 0.000 1.383 215 I HN 0.260 nan 8.210 nan 0.000 0.562 216 K N 6.672 126.950 120.400 -0.203 0.000 2.284 216 K HA 0.104 4.424 4.320 -0.000 0.000 0.198 216 K C -0.178 176.361 176.600 -0.101 0.000 1.048 216 K CA 0.725 56.915 56.287 -0.162 0.000 0.987 216 K CB 0.486 32.886 32.500 -0.167 0.000 0.800 216 K HN 0.714 nan 8.250 nan 0.000 0.486 217 W N -0.619 120.680 121.300 -0.002 0.000 2.989 217 W HA 0.371 5.030 4.660 -0.001 0.000 0.344 217 W C -0.199 176.396 176.519 0.126 0.000 1.233 217 W CA -0.665 56.700 57.345 0.034 0.000 1.187 217 W CB 0.279 29.710 29.460 -0.049 0.000 1.443 217 W HN -0.347 nan 8.180 nan 0.000 0.573 218 K N -0.007 120.765 120.400 0.621 0.000 2.387 218 K HA 0.203 4.522 4.320 -0.000 0.000 0.197 218 K C -0.340 176.650 176.600 0.650 0.000 1.127 218 K CA 0.330 56.901 56.287 0.473 0.000 0.950 218 K CB 1.239 33.935 32.500 0.327 0.000 1.017 218 K HN 0.170 nan 8.250 nan 0.000 0.519 219 F N 1.350 121.553 119.950 0.421 0.000 2.565 219 F HA 0.557 5.084 4.527 -0.000 0.000 0.313 219 F C -1.850 173.873 175.800 -0.127 0.000 1.091 219 F CA -1.433 56.663 58.000 0.160 0.000 0.915 219 F CB 1.738 40.779 39.000 0.068 0.000 1.208 219 F HN -0.242 nan 8.300 nan 0.000 0.453 220 L N 5.231 125.772 121.223 -1.137 0.000 2.614 220 L HA 0.488 4.828 4.340 -0.000 0.000 0.264 220 L C -1.766 174.569 176.870 -0.892 0.000 0.940 220 L CA -0.086 54.146 54.840 -1.013 0.000 0.903 220 L CB 1.853 42.983 42.059 -1.548 0.000 1.306 220 L HN 0.746 nan 8.230 nan 0.000 0.410 221 E N 3.149 123.035 120.200 -0.523 0.000 2.308 221 E HA 0.661 5.011 4.350 -0.000 0.000 0.275 221 E C -1.785 174.753 176.600 -0.104 0.000 0.890 221 E CA -0.528 55.665 56.400 -0.345 0.000 0.754 221 E CB 1.534 31.105 29.700 -0.214 0.000 1.207 221 E HN 0.853 nan 8.360 nan 0.000 0.426 222 H N 1.028 120.021 119.070 -0.129 0.000 2.981 222 H HA 0.422 4.978 4.556 -0.000 0.000 0.327 222 H C -0.580 174.732 175.328 -0.027 0.000 1.342 222 H CA -0.961 55.047 56.048 -0.068 0.000 1.123 222 H CB 0.764 30.485 29.762 -0.067 0.000 1.851 222 H HN 0.135 nan 8.280 nan 0.000 0.531 223 K N 1.007 121.464 120.400 0.095 0.000 2.458 223 K HA 0.275 4.595 4.320 -0.000 0.000 0.194 223 K C 0.619 177.415 176.600 0.327 0.000 1.024 223 K CA 0.757 57.105 56.287 0.102 0.000 1.108 223 K CB 0.016 32.450 32.500 -0.110 0.000 0.846 223 K HN 0.991 nan 8.250 nan 0.000 0.518 224 G N 2.744 111.813 108.800 0.449 0.000 2.796 224 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.571 224 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.571 224 G C -2.762 172.315 174.900 0.294 0.000 1.370 224 G CA -0.810 44.499 45.100 0.348 0.000 0.856 224 G HN 0.035 nan 8.290 nan 0.000 0.538 225 P HA 0.507 nan 4.420 nan 0.000 0.274 225 P C -0.349 176.786 177.300 -0.275 0.000 1.256 225 P CA -0.360 62.666 63.100 -0.123 0.000 0.795 225 P CB 1.285 32.736 31.700 -0.414 0.000 1.038 226 V N 1.975 121.697 119.914 -0.320 0.000 2.347 226 V HA 0.235 4.355 4.120 -0.000 0.000 0.280 226 V C 0.145 175.980 176.094 -0.430 0.000 1.021 226 V CA -0.330 61.756 62.300 -0.356 0.000 0.847 226 V CB -0.133 31.568 31.823 -0.203 0.000 0.990 226 V HN 0.330 nan 8.190 nan 0.000 0.444 227 F N 3.009 122.882 119.950 -0.128 0.000 2.389 227 F HA 0.583 5.110 4.527 -0.001 0.000 0.337 227 F C 1.014 176.749 175.800 -0.110 0.000 1.112 227 F CA -0.194 57.729 58.000 -0.129 0.000 1.192 227 F CB 0.771 39.695 39.000 -0.127 0.000 1.185 227 F HN 0.544 nan 8.300 nan 0.000 0.552 228 A N 4.179 127.046 122.820 0.078 0.000 2.498 228 A HA 0.336 4.656 4.320 -0.000 0.000 0.239 228 A C -2.039 175.587 177.584 0.069 0.000 1.068 228 A CA -1.215 50.845 52.037 0.038 0.000 0.766 228 A CB -0.803 18.214 19.000 0.029 0.000 1.003 228 A HN 0.528 nan 8.150 nan 0.000 0.497 229 P HA 0.167 nan 4.420 nan 0.000 0.267 229 P C -2.445 174.902 177.300 0.078 0.000 1.200 229 P CA -0.693 62.441 63.100 0.057 0.000 0.772 229 P CB -0.380 31.349 31.700 0.048 0.000 0.855 230 P HA -0.018 nan 4.420 nan 0.000 0.269 230 P C -0.464 176.917 177.300 0.135 0.000 1.215 230 P CA -0.051 63.107 63.100 0.096 0.000 0.780 230 P CB 0.277 32.016 31.700 0.064 0.000 0.898 231 Y N 1.806 122.142 120.300 0.060 0.000 2.526 231 Y HA 0.032 4.583 4.550 0.000 0.000 0.330 231 Y C 0.424 176.364 175.900 0.067 0.000 1.156 231 Y CA 0.175 58.319 58.100 0.072 0.000 1.419 231 Y CB 0.350 38.847 38.460 0.062 0.000 1.250 231 Y HN 0.259 nan 8.280 nan 0.000 0.540 232 E N 8.411 128.208 120.200 -0.670 0.000 2.109 232 E HA 0.265 4.614 4.350 -0.000 0.000 0.278 232 E C -2.489 173.584 176.600 -0.878 0.000 0.954 232 E CA -2.027 54.056 56.400 -0.529 0.000 0.779 232 E CB 0.770 30.337 29.700 -0.221 0.000 1.093 232 E HN 0.570 nan 8.360 nan 0.000 0.401 233 P HA 0.021 nan 4.420 nan 0.000 0.269 233 P C 0.049 177.258 177.300 -0.153 0.000 1.209 233 P CA -0.105 62.843 63.100 -0.254 0.000 0.776 233 P CB 0.548 32.231 31.700 -0.030 0.000 0.876 234 L N 4.240 125.431 121.223 -0.054 0.000 2.483 234 L HA 0.142 4.482 4.340 -0.000 0.000 0.276 234 L C -1.360 175.395 176.870 -0.192 0.000 1.213 234 L CA -1.374 53.371 54.840 -0.158 0.000 0.843 234 L CB -0.522 41.453 42.059 -0.139 0.000 1.107 234 L HN 0.352 nan 8.230 nan 0.000 0.487 235 P HA 0.028 nan 4.420 nan 0.000 0.272 235 P C -0.083 177.116 177.300 -0.169 0.000 1.240 235 P CA -0.463 62.514 63.100 -0.204 0.000 0.791 235 P CB 0.575 32.136 31.700 -0.231 0.000 0.978 236 E N 1.676 121.814 120.200 -0.103 0.000 2.171 236 E HA -0.271 4.079 4.350 -0.000 0.000 0.197 236 E C 1.185 177.738 176.600 -0.078 0.000 0.997 236 E CA 1.839 58.194 56.400 -0.074 0.000 0.810 236 E CB -1.295 28.377 29.700 -0.047 0.000 0.738 236 E HN 0.504 nan 8.360 nan 0.000 0.467 237 N N 1.086 119.731 118.700 -0.091 0.000 2.461 237 N HA -0.036 4.704 4.740 -0.000 0.000 0.188 237 N C -0.389 175.072 175.510 -0.083 0.000 1.134 237 N CA 0.172 53.181 53.050 -0.068 0.000 0.878 237 N CB 0.223 38.684 38.487 -0.043 0.000 0.972 237 N HN 0.099 nan 8.380 nan 0.000 0.456 238 V N 1.356 121.180 119.914 -0.150 0.000 2.277 238 V HA 0.239 4.359 4.120 -0.000 0.000 0.269 238 V C -0.023 176.034 176.094 -0.062 0.000 1.036 238 V CA -0.737 61.477 62.300 -0.143 0.000 0.821 238 V CB 0.250 31.855 31.823 -0.364 0.000 1.052 238 V HN -0.000 nan 8.190 nan 0.000 0.462 239 K N 3.534 123.923 120.400 -0.018 0.000 2.118 239 K HA 0.558 4.877 4.320 -0.000 0.000 0.264 239 K C -0.666 175.914 176.600 -0.033 0.000 1.000 239 K CA -0.233 55.992 56.287 -0.104 0.000 0.929 239 K CB 0.919 33.238 32.500 -0.301 0.000 1.021 239 K HN 0.459 nan 8.250 nan 0.000 0.463 240 F N 2.138 121.923 119.950 -0.276 0.000 2.495 240 F HA 0.460 4.987 4.527 -0.001 0.000 0.327 240 F C -1.400 174.209 175.800 -0.318 0.000 1.103 240 F CA -0.921 56.999 58.000 -0.133 0.000 0.949 240 F CB 0.794 39.792 39.000 -0.003 0.000 1.142 240 F HN 0.427 nan 8.300 nan 0.000 0.457 241 Y N 5.231 124.982 120.300 -0.916 0.000 2.446 241 Y HA 0.485 5.034 4.550 -0.001 0.000 0.345 241 Y C -1.430 173.947 175.900 -0.873 0.000 0.984 241 Y CA -0.961 56.719 58.100 -0.699 0.000 1.058 241 Y CB 1.758 40.015 38.460 -0.337 0.000 1.220 241 Y HN 0.580 nan 8.280 nan 0.000 0.455 242 Y N 2.921 122.976 120.300 -0.408 0.000 2.346 242 Y HA 0.338 4.888 4.550 -0.001 0.000 0.332 242 Y C -0.030 175.819 175.900 -0.084 0.000 0.985 242 Y CA -1.282 56.675 58.100 -0.239 0.000 1.112 242 Y CB 1.149 39.535 38.460 -0.123 0.000 1.170 242 Y HN 0.788 nan 8.280 nan 0.000 0.447 243 D N 4.449 124.445 120.400 -0.674 0.000 2.870 243 D HA -0.186 4.454 4.640 -0.000 0.000 0.228 243 D C 1.036 177.229 176.300 -0.178 0.000 1.147 243 D CA 2.123 55.870 54.000 -0.422 0.000 0.757 243 D CB -1.162 39.445 40.800 -0.322 0.000 1.091 243 D HN 1.437 nan 8.370 nan 0.000 0.429 244 G N -0.510 108.203 108.800 -0.145 0.000 2.162 244 G HA2 -0.344 3.615 3.960 -0.000 0.000 0.260 244 G HA3 -0.344 3.615 3.960 -0.000 0.000 0.260 244 G C 0.243 175.170 174.900 0.046 0.000 0.976 244 G CA 0.884 45.933 45.100 -0.085 0.000 0.655 244 G HN 0.540 nan 8.290 nan 0.000 0.533 245 K N 0.019 120.484 120.400 0.108 0.000 2.324 245 K HA 0.613 4.932 4.320 -0.000 0.000 0.253 245 K C 0.471 177.140 176.600 0.115 0.000 0.932 245 K CA -1.021 55.355 56.287 0.148 0.000 0.799 245 K CB 2.856 35.401 32.500 0.074 0.000 1.154 245 K HN 0.047 nan 8.250 nan 0.000 0.425 246 V N 3.395 123.324 119.914 0.026 0.000 2.788 246 V HA 0.006 4.126 4.120 -0.000 0.000 0.307 246 V C 0.132 176.143 176.094 -0.138 0.000 1.069 246 V CA 0.505 62.630 62.300 -0.291 0.000 1.173 246 V CB 0.212 31.902 31.823 -0.222 0.000 0.925 246 V HN 0.819 nan 8.190 nan 0.000 0.492 247 M N 5.435 124.954 119.600 -0.135 0.000 2.234 247 M HA 0.356 4.836 4.480 -0.000 0.000 0.267 247 M C -0.777 175.614 176.300 0.151 0.000 1.022 247 M CA -0.658 54.673 55.300 0.052 0.000 0.993 247 M CB 1.356 34.040 32.600 0.140 0.000 1.836 247 M HN 0.659 nan 8.290 nan 0.000 0.479 248 K N 6.327 126.774 120.400 0.079 0.000 2.312 248 K HA 0.419 4.739 4.320 -0.000 0.000 0.287 248 K C -1.825 174.821 176.600 0.076 0.000 1.062 248 K CA -0.114 56.215 56.287 0.071 0.000 0.934 248 K CB 0.411 32.927 32.500 0.026 0.000 1.027 248 K HN 0.855 nan 8.250 nan 0.000 0.478 249 L N 3.186 124.452 121.223 0.072 0.000 2.322 249 L HA 0.227 4.566 4.340 -0.000 0.000 0.279 249 L C 0.676 177.561 176.870 0.025 0.000 1.036 249 L CA -0.857 53.999 54.840 0.027 0.000 0.807 249 L CB 1.679 43.728 42.059 -0.017 0.000 1.226 249 L HN 0.763 nan 8.230 nan 0.000 0.433 250 S N 1.485 117.187 115.700 0.002 0.000 2.573 250 S HA 0.155 4.624 4.470 -0.000 0.000 0.277 250 S C -1.899 172.718 174.600 0.028 0.000 1.346 250 S CA -0.957 57.248 58.200 0.009 0.000 1.034 250 S CB 0.707 63.896 63.200 -0.018 0.000 0.879 250 S HN 0.436 nan 8.310 nan 0.000 0.528 251 P HA -0.185 nan 4.420 nan 0.000 0.217 251 P C 1.454 178.730 177.300 -0.040 0.000 1.158 251 P CA 1.533 64.701 63.100 0.112 0.000 0.887 251 P CB 0.053 31.841 31.700 0.146 0.000 0.792 252 K N -0.714 119.661 120.400 -0.041 0.000 2.026 252 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 252 K C 2.022 178.576 176.600 -0.077 0.000 1.048 252 K CA 1.704 57.943 56.287 -0.079 0.000 0.929 252 K CB -0.642 31.831 32.500 -0.045 0.000 0.713 252 K HN -0.011 nan 8.250 nan 0.000 0.439 253 A N 0.661 123.469 122.820 -0.021 0.000 1.930 253 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 253 A C 1.973 179.664 177.584 0.178 0.000 1.176 253 A CA 1.429 53.535 52.037 0.115 0.000 0.632 253 A CB -0.435 18.562 19.000 -0.005 0.000 0.819 253 A HN 0.533 nan 8.150 nan 0.000 0.445 254 E N -0.093 120.117 120.200 0.016 0.000 2.106 254 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 254 E C 1.953 178.441 176.600 -0.187 0.000 0.984 254 E CA 1.272 57.668 56.400 -0.007 0.000 0.806 254 E CB -0.118 29.631 29.700 0.083 0.000 0.750 254 E HN 0.762 nan 8.360 nan 0.000 0.458 255 E N -0.098 119.772 120.200 -0.550 0.000 2.051 255 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 255 E C 2.084 178.075 176.600 -1.015 0.000 0.991 255 E CA 1.407 57.156 56.400 -1.085 0.000 0.799 255 E CB 0.140 29.013 29.700 -1.378 0.000 0.748 255 E HN 0.157 nan 8.360 nan 0.000 0.449 256 V N 1.300 120.862 119.914 -0.587 0.000 2.407 256 V HA -0.259 3.860 4.120 -0.000 0.000 0.248 256 V C 2.445 178.320 176.094 -0.366 0.000 1.055 256 V CA 1.729 63.789 62.300 -0.400 0.000 1.049 256 V CB -0.765 31.035 31.823 -0.039 0.000 0.662 256 V HN 0.439 nan 8.190 nan 0.000 0.455 257 A N 0.882 123.488 122.820 -0.356 0.000 1.972 257 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 257 A C 2.502 180.043 177.584 -0.073 0.000 1.169 257 A CA 2.338 54.233 52.037 -0.238 0.000 0.635 257 A CB -0.917 18.063 19.000 -0.034 0.000 0.810 257 A HN 0.648 nan 8.150 nan 0.000 0.446 258 T N -3.032 111.446 114.554 -0.127 0.000 2.867 258 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 258 T C 1.550 176.199 174.700 -0.084 0.000 1.057 258 T CA 1.331 63.435 62.100 0.008 0.000 1.136 258 T CB -0.560 68.335 68.868 0.046 0.000 0.874 258 T HN 0.211 nan 8.240 nan 0.000 0.466 259 F N 0.878 120.788 119.950 -0.066 0.000 2.134 259 F HA 0.181 4.707 4.527 -0.001 0.000 0.299 259 F C 2.081 177.810 175.800 -0.118 0.000 1.097 259 F CA -0.454 57.499 58.000 -0.078 0.000 1.264 259 F CB -1.452 37.555 39.000 0.011 0.000 1.001 259 F HN 0.172 nan 8.300 nan 0.000 0.479 260 F N 0.710 120.528 119.950 -0.220 0.000 2.186 260 F HA -0.036 4.490 4.527 -0.001 0.000 0.299 260 F C 2.337 177.855 175.800 -0.471 0.000 1.090 260 F CA 1.148 58.802 58.000 -0.576 0.000 1.307 260 F CB -0.563 37.634 39.000 -1.338 0.000 1.019 260 F HN -0.075 nan 8.300 nan 0.000 0.489 261 A N 0.140 122.818 122.820 -0.238 0.000 1.933 261 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 261 A C 2.166 179.717 177.584 -0.055 0.000 1.175 261 A CA 1.796 53.801 52.037 -0.053 0.000 0.628 261 A CB -0.643 18.536 19.000 0.299 0.000 0.814 261 A HN 0.446 nan 8.150 nan 0.000 0.444 262 K N -1.048 119.302 120.400 -0.083 0.000 2.365 262 K HA 0.105 4.425 4.320 -0.000 0.000 0.199 262 K C 1.141 177.663 176.600 -0.130 0.000 1.045 262 K CA 0.989 57.217 56.287 -0.097 0.000 0.962 262 K CB -0.093 32.310 32.500 -0.161 0.000 0.759 262 K HN 0.517 nan 8.250 nan 0.000 0.469 263 M N 0.153 119.624 119.600 -0.214 0.000 2.404 263 M HA 0.069 4.549 4.480 -0.000 0.000 0.271 263 M C 0.825 176.835 176.300 -0.484 0.000 1.128 263 M CA -0.094 55.074 55.300 -0.219 0.000 0.982 263 M CB 0.401 32.910 32.600 -0.152 0.000 1.445 263 M HN -0.004 nan 8.290 nan 0.000 0.495 264 L N 1.237 122.173 121.223 -0.477 0.000 2.187 264 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 264 L C 1.730 178.364 176.870 -0.394 0.000 1.100 264 L CA 1.880 56.450 54.840 -0.450 0.000 0.765 264 L CB -0.505 41.407 42.059 -0.245 0.000 0.904 264 L HN 0.283 nan 8.230 nan 0.000 0.437 265 D N -2.052 118.082 120.400 -0.443 0.000 2.183 265 D HA -0.083 4.557 4.640 -0.000 0.000 0.203 265 D C 0.628 176.621 176.300 -0.511 0.000 0.969 265 D CA 0.582 54.315 54.000 -0.445 0.000 0.842 265 D CB -0.291 40.228 40.800 -0.468 0.000 0.957 265 D HN 0.426 nan 8.370 nan 0.000 0.484 266 H N 0.861 119.628 119.070 -0.504 0.000 2.764 266 H HA 0.093 4.649 4.556 -0.000 0.000 0.341 266 H C 1.205 176.141 175.328 -0.653 0.000 1.072 266 H CA 0.030 55.668 56.048 -0.684 0.000 1.444 266 H CB 1.022 30.004 29.762 -1.300 0.000 1.458 266 H HN -0.021 nan 8.280 nan 0.000 0.572 267 E N 2.019 122.035 120.200 -0.305 0.000 2.204 267 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 267 E C 1.159 177.638 176.600 -0.202 0.000 0.989 267 E CA 0.837 57.115 56.400 -0.203 0.000 0.824 267 E CB -0.043 29.606 29.700 -0.086 0.000 0.756 267 E HN 0.762 nan 8.360 nan 0.000 0.477 268 Y N 0.367 120.552 120.300 -0.193 0.000 2.483 268 Y HA -0.099 4.451 4.550 0.000 0.000 0.291 268 Y C 2.226 177.821 175.900 -0.508 0.000 1.143 268 Y CA 1.248 59.177 58.100 -0.285 0.000 1.289 268 Y CB -1.434 36.845 38.460 -0.302 0.000 0.983 268 Y HN -0.088 nan 8.280 nan 0.000 0.556 269 T N -2.925 111.268 114.554 -0.603 0.000 3.072 269 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 269 T C 1.475 176.142 174.700 -0.054 0.000 1.127 269 T CA 1.043 62.824 62.100 -0.531 0.000 1.107 269 T CB -0.906 67.516 68.868 -0.743 0.000 0.910 269 T HN 0.610 nan 8.240 nan 0.000 0.513 270 T N -1.440 113.087 114.554 -0.046 0.000 3.065 270 T HA 0.251 4.601 4.350 -0.000 0.000 0.252 270 T C 0.673 175.446 174.700 0.123 0.000 1.099 270 T CA -0.394 61.742 62.100 0.059 0.000 1.063 270 T CB -0.248 68.629 68.868 0.015 0.000 0.948 270 T HN 0.316 nan 8.240 nan 0.000 0.506 271 K N 1.852 122.340 120.400 0.148 0.000 2.401 271 K HA 0.141 4.460 4.320 -0.000 0.000 0.278 271 K C 1.119 177.876 176.600 0.263 0.000 1.018 271 K CA -0.394 56.013 56.287 0.200 0.000 0.981 271 K CB 0.811 33.445 32.500 0.223 0.000 0.933 271 K HN 0.074 nan 8.250 nan 0.000 0.477 272 E N 2.451 122.774 120.200 0.204 0.000 2.033 272 E HA -0.227 4.122 4.350 -0.000 0.000 0.199 272 E C 1.804 178.541 176.600 0.227 0.000 1.011 272 E CA 1.723 58.239 56.400 0.194 0.000 0.815 272 E CB -0.039 29.747 29.700 0.143 0.000 0.755 272 E HN 0.561 nan 8.360 nan 0.000 0.451 273 I N 0.185 120.887 120.570 0.220 0.000 2.208 273 I HA -0.282 3.887 4.170 -0.000 0.000 0.245 273 I C 2.457 178.731 176.117 0.261 0.000 1.097 273 I CA 1.057 62.485 61.300 0.214 0.000 1.363 273 I CB -0.366 37.750 38.000 0.193 0.000 1.051 273 I HN 0.051 nan 8.210 nan 0.000 0.413 274 F N 1.802 121.875 119.950 0.205 0.000 2.102 274 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 274 F C 2.713 178.711 175.800 0.331 0.000 1.105 274 F CA 1.665 59.817 58.000 0.253 0.000 1.239 274 F CB -0.153 39.004 39.000 0.261 0.000 0.991 274 F HN -0.156 nan 8.300 nan 0.000 0.474 275 R N 0.082 120.911 120.500 0.548 0.000 2.115 275 R HA -0.142 4.197 4.340 -0.000 0.000 0.230 275 R C 2.273 178.802 176.300 0.382 0.000 1.111 275 R CA 1.463 57.860 56.100 0.494 0.000 0.976 275 R CB -0.370 30.175 30.300 0.408 0.000 0.870 275 R HN 0.278 nan 8.270 nan 0.000 0.445 276 K N 1.223 121.793 120.400 0.282 0.000 2.001 276 K HA -0.128 4.191 4.320 -0.000 0.000 0.208 276 K C 1.516 178.236 176.600 0.200 0.000 1.048 276 K CA 1.864 58.289 56.287 0.229 0.000 0.932 276 K CB -0.069 32.534 32.500 0.172 0.000 0.715 276 K HN 0.168 nan 8.250 nan 0.000 0.437 277 N N -0.261 118.525 118.700 0.144 0.000 2.069 277 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 277 N C 1.723 177.268 175.510 0.058 0.000 1.031 277 N CA 1.373 54.465 53.050 0.070 0.000 0.852 277 N CB -0.244 38.255 38.487 0.019 0.000 1.018 277 N HN 0.142 nan 8.380 nan 0.000 0.423 278 F N 1.210 121.138 119.950 -0.036 0.000 2.069 278 F HA -0.188 4.339 4.527 -0.001 0.000 0.298 278 F C 2.004 177.895 175.800 0.152 0.000 1.113 278 F CA 1.295 59.289 58.000 -0.010 0.000 1.214 278 F CB -0.617 38.368 39.000 -0.025 0.000 0.978 278 F HN -0.027 nan 8.300 nan 0.000 0.474 279 F N 1.336 121.233 119.950 -0.088 0.000 2.216 279 F HA -0.133 4.393 4.527 -0.002 0.000 0.300 279 F C 2.491 178.246 175.800 -0.076 0.000 1.085 279 F CA 2.045 60.011 58.000 -0.057 0.000 1.326 279 F CB -0.621 38.483 39.000 0.174 0.000 1.027 279 F HN 0.034 nan 8.300 nan 0.000 0.497 280 K N 0.004 120.380 120.400 -0.041 0.000 2.057 280 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 280 K C 1.698 178.181 176.600 -0.195 0.000 1.049 280 K CA 1.972 58.193 56.287 -0.110 0.000 0.931 280 K CB -0.250 32.248 32.500 -0.003 0.000 0.714 280 K HN 0.147 nan 8.250 nan 0.000 0.440 281 D N -0.344 119.947 120.400 -0.182 0.000 2.149 281 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 281 D C 1.437 177.627 176.300 -0.184 0.000 0.972 281 D CA 0.650 54.554 54.000 -0.160 0.000 0.835 281 D CB -0.271 40.464 40.800 -0.109 0.000 0.966 281 D HN 0.369 nan 8.370 nan 0.000 0.476 282 W N 2.501 123.439 121.300 -0.604 0.000 2.363 282 W HA -0.072 4.587 4.660 -0.002 0.000 0.296 282 W C 1.953 178.173 176.519 -0.497 0.000 1.212 282 W CA 0.793 57.773 57.345 -0.609 0.000 1.260 282 W CB -0.128 28.785 29.460 -0.912 0.000 1.131 282 W HN -0.171 nan 8.180 nan 0.000 0.530 283 R N 0.479 120.631 120.500 -0.580 0.000 2.096 283 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 283 R C 1.994 178.072 176.300 -0.370 0.000 1.127 283 R CA 1.555 57.285 56.100 -0.616 0.000 0.968 283 R CB -0.768 29.174 30.300 -0.597 0.000 0.861 283 R HN 0.293 nan 8.270 nan 0.000 0.440 284 K N 0.385 120.631 120.400 -0.257 0.000 2.280 284 K HA -0.141 4.179 4.320 -0.000 0.000 0.202 284 K C 1.689 178.200 176.600 -0.148 0.000 1.047 284 K CA 1.030 57.215 56.287 -0.169 0.000 0.942 284 K CB 0.040 32.469 32.500 -0.119 0.000 0.739 284 K HN 0.045 nan 8.250 nan 0.000 0.457 285 E N 0.193 120.300 120.200 -0.156 0.000 2.371 285 E HA 0.081 4.430 4.350 -0.000 0.000 0.194 285 E C 0.264 176.770 176.600 -0.157 0.000 1.012 285 E CA 0.353 56.687 56.400 -0.109 0.000 0.860 285 E CB 0.188 29.877 29.700 -0.019 0.000 0.811 285 E HN 0.186 nan 8.360 nan 0.000 0.502 286 M N 0.567 120.009 119.600 -0.263 0.000 2.241 286 M HA 0.109 4.589 4.480 -0.000 0.000 0.335 286 M C 0.621 176.805 176.300 -0.194 0.000 1.122 286 M CA -0.209 54.922 55.300 -0.282 0.000 1.164 286 M CB 0.955 33.295 32.600 -0.433 0.000 1.459 286 M HN -0.016 nan 8.290 nan 0.000 0.461 287 T N -1.501 112.956 114.554 -0.161 0.000 2.788 287 T HA 0.185 4.535 4.350 -0.000 0.000 0.287 287 T C 0.626 175.249 174.700 -0.129 0.000 1.007 287 T CA -0.601 61.428 62.100 -0.118 0.000 1.005 287 T CB 0.372 69.185 68.868 -0.091 0.000 1.012 287 T HN 0.674 nan 8.240 nan 0.000 0.530 288 N N 0.370 119.010 118.700 -0.100 0.000 2.289 288 N HA -0.066 4.674 4.740 -0.000 0.000 0.184 288 N C 1.658 177.111 175.510 -0.094 0.000 1.016 288 N CA 1.054 54.047 53.050 -0.095 0.000 0.872 288 N CB -0.161 38.283 38.487 -0.071 0.000 0.973 288 N HN 0.695 nan 8.380 nan 0.000 0.433 289 E N 0.788 120.936 120.200 -0.087 0.000 2.107 289 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 289 E C 1.504 178.040 176.600 -0.108 0.000 0.982 289 E CA 0.821 57.173 56.400 -0.080 0.000 0.809 289 E CB -0.035 29.629 29.700 -0.061 0.000 0.756 289 E HN 0.432 nan 8.360 nan 0.000 0.459 290 E N 0.762 120.879 120.200 -0.139 0.000 2.106 290 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 290 E C 1.744 178.194 176.600 -0.250 0.000 0.984 290 E CA 0.739 57.023 56.400 -0.195 0.000 0.806 290 E CB -0.018 29.548 29.700 -0.224 0.000 0.750 290 E HN 0.139 nan 8.360 nan 0.000 0.458 291 K N 0.602 120.866 120.400 -0.227 0.000 2.283 291 K HA -0.060 4.260 4.320 -0.000 0.000 0.202 291 K C 1.564 178.072 176.600 -0.153 0.000 1.048 291 K CA 0.620 56.773 56.287 -0.223 0.000 0.948 291 K CB 0.028 32.412 32.500 -0.194 0.000 0.742 291 K HN 0.033 nan 8.250 nan 0.000 0.458 292 N N 0.754 119.379 118.700 -0.125 0.000 2.354 292 N HA 0.000 4.740 4.740 -0.000 0.000 0.179 292 N C 1.685 177.145 175.510 -0.083 0.000 1.021 292 N CA 0.814 53.815 53.050 -0.082 0.000 0.887 292 N CB 0.138 38.589 38.487 -0.060 0.000 0.974 292 N HN 0.194 nan 8.380 nan 0.000 0.437 293 I N 0.361 120.844 120.570 -0.144 0.000 2.385 293 I HA 0.037 4.207 4.170 -0.000 0.000 0.244 293 I C 0.410 176.275 176.117 -0.421 0.000 1.089 293 I CA 0.453 61.642 61.300 -0.185 0.000 1.410 293 I CB 0.112 37.997 38.000 -0.191 0.000 1.117 293 I HN -0.131 nan 8.210 nan 0.000 0.429 294 I N 2.522 122.756 120.570 -0.560 0.000 2.293 294 I HA -0.019 4.151 4.170 -0.000 0.000 0.299 294 I C 1.479 177.564 176.117 -0.055 0.000 1.153 294 I CA 0.024 60.938 61.300 -0.643 0.000 1.302 294 I CB 0.313 37.990 38.000 -0.538 0.000 1.460 294 I HN 0.276 nan 8.210 nan 0.000 0.552 295 T N 1.308 115.930 114.554 0.113 0.000 3.057 295 T HA 0.096 4.446 4.350 -0.000 0.000 0.254 295 T C 0.459 175.274 174.700 0.192 0.000 1.094 295 T CA 0.097 62.322 62.100 0.208 0.000 1.088 295 T CB -0.247 68.710 68.868 0.147 0.000 0.934 295 T HN 0.687 nan 8.240 nan 0.000 0.497 296 N N -0.834 117.902 118.700 0.061 0.000 2.591 296 N HA 0.431 5.171 4.740 -0.000 0.000 0.263 296 N C 0.067 175.352 175.510 -0.375 0.000 1.308 296 N CA -0.986 51.749 53.050 -0.524 0.000 0.837 296 N CB 1.143 39.514 38.487 -0.194 0.000 1.548 296 N HN -0.062 nan 8.380 nan 0.000 0.493 297 L N 0.629 121.472 121.223 -0.634 0.000 2.179 297 L HA 0.255 4.595 4.340 -0.000 0.000 0.208 297 L C 1.418 178.424 176.870 0.227 0.000 1.096 297 L CA 1.651 56.547 54.840 0.093 0.000 0.779 297 L CB -0.723 41.435 42.059 0.165 0.000 0.922 297 L HN 0.762 nan 8.230 nan 0.000 0.443 298 S N -0.579 115.175 115.700 0.091 0.000 2.447 298 S HA -0.122 4.348 4.470 -0.000 0.000 0.233 298 S C 1.836 176.476 174.600 0.067 0.000 1.006 298 S CA 0.894 59.159 58.200 0.107 0.000 0.957 298 S CB -0.181 63.053 63.200 0.056 0.000 0.773 298 S HN 0.287 nan 8.310 nan 0.000 0.507 299 K N 0.733 121.145 120.400 0.020 0.000 2.418 299 K HA 0.168 4.488 4.320 -0.000 0.000 0.195 299 K C 0.119 176.608 176.600 -0.184 0.000 1.035 299 K CA -0.040 56.134 56.287 -0.189 0.000 1.003 299 K CB -0.280 31.926 32.500 -0.490 0.000 0.793 299 K HN 0.318 nan 8.250 nan 0.000 0.494 300 C N 1.273 120.634 119.300 0.102 0.000 2.605 300 C HA 0.239 4.699 4.460 -0.000 0.000 0.404 300 C C 0.190 175.120 174.990 -0.101 0.000 1.284 300 C CA -1.083 57.978 59.018 0.071 0.000 2.199 300 C CB 0.332 28.242 27.740 0.284 0.000 2.647 300 C HN 0.376 nan 8.230 nan 0.000 0.604 301 D N 0.190 120.428 120.400 -0.270 0.000 2.454 301 D HA 0.421 5.061 4.640 -0.000 0.000 0.247 301 D C -0.265 176.060 176.300 0.042 0.000 1.129 301 D CA -0.471 53.489 54.000 -0.068 0.000 0.877 301 D CB 0.232 41.010 40.800 -0.037 0.000 1.082 301 D HN 0.427 nan 8.370 nan 0.000 0.537 302 F N 1.176 121.359 119.950 0.389 0.000 2.693 302 F HA 0.072 4.599 4.527 -0.001 0.000 0.303 302 F C 2.485 178.456 175.800 0.284 0.000 1.097 302 F CA 0.090 58.335 58.000 0.409 0.000 1.330 302 F CB -0.114 39.123 39.000 0.394 0.000 1.067 302 F HN 0.342 nan 8.300 nan 0.000 0.565 303 T N -1.818 112.947 114.554 0.352 0.000 2.665 303 T HA -0.311 4.039 4.350 -0.000 0.000 0.268 303 T C 1.819 176.652 174.700 0.222 0.000 1.035 303 T CA 1.652 63.893 62.100 0.234 0.000 1.151 303 T CB -0.438 68.513 68.868 0.139 0.000 0.862 303 T HN 0.372 nan 8.240 nan 0.000 0.438 304 Q N 0.314 120.258 119.800 0.240 0.000 2.119 304 Q HA 0.039 4.379 4.340 -0.000 0.000 0.201 304 Q C 2.545 178.666 176.000 0.201 0.000 0.972 304 Q CA 1.469 57.393 55.803 0.202 0.000 0.847 304 Q CB -0.322 28.543 28.738 0.210 0.000 0.903 304 Q HN 0.619 nan 8.270 nan 0.000 0.433 305 M N -0.397 119.367 119.600 0.275 0.000 2.132 305 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 305 M C 2.450 178.954 176.300 0.340 0.000 1.065 305 M CA 1.116 56.587 55.300 0.285 0.000 1.122 305 M CB -0.277 32.596 32.600 0.455 0.000 1.365 305 M HN 0.087 nan 8.290 nan 0.000 0.411 306 S N 0.168 116.076 115.700 0.346 0.000 2.368 306 S HA -0.193 4.277 4.470 -0.000 0.000 0.225 306 S C 1.857 176.579 174.600 0.204 0.000 1.030 306 S CA 1.478 59.852 58.200 0.290 0.000 0.999 306 S CB -0.128 63.185 63.200 0.188 0.000 0.844 306 S HN 0.503 nan 8.310 nan 0.000 0.459 307 Q N -1.027 118.866 119.800 0.156 0.000 2.119 307 Q HA -0.139 4.200 4.340 -0.000 0.000 0.201 307 Q C 1.929 177.980 176.000 0.085 0.000 0.972 307 Q CA 1.780 57.645 55.803 0.103 0.000 0.847 307 Q CB -0.375 28.420 28.738 0.094 0.000 0.903 307 Q HN 0.832 nan 8.270 nan 0.000 0.433 308 Y N 0.382 120.641 120.300 -0.068 0.000 2.097 308 Y HA -0.299 4.251 4.550 -0.001 0.000 0.282 308 Y C 1.733 177.516 175.900 -0.196 0.000 1.152 308 Y CA 1.530 59.514 58.100 -0.193 0.000 1.136 308 Y CB -0.194 38.046 38.460 -0.368 0.000 0.975 308 Y HN -0.017 nan 8.280 nan 0.000 0.498 309 F N 0.926 120.820 119.950 -0.094 0.000 2.161 309 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 309 F C 2.263 177.971 175.800 -0.154 0.000 1.089 309 F CA 1.720 59.607 58.000 -0.188 0.000 1.282 309 F CB -0.641 38.353 39.000 -0.009 0.000 1.010 309 F HN 0.003 nan 8.300 nan 0.000 0.485 310 K N -0.140 120.299 120.400 0.065 0.000 2.097 310 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 310 K C 2.326 178.906 176.600 -0.033 0.000 1.050 310 K CA 1.050 57.348 56.287 0.018 0.000 0.938 310 K CB -0.424 32.087 32.500 0.019 0.000 0.718 310 K HN 0.219 nan 8.250 nan 0.000 0.442 311 A N 1.265 124.040 122.820 -0.075 0.000 1.930 311 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 311 A C 2.024 179.534 177.584 -0.123 0.000 1.175 311 A CA 1.175 53.162 52.037 -0.084 0.000 0.627 311 A CB -0.228 18.732 19.000 -0.066 0.000 0.815 311 A HN 0.176 nan 8.150 nan 0.000 0.443 312 Q N -0.414 119.251 119.800 -0.224 0.000 2.167 312 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 312 Q C 2.100 178.055 176.000 -0.075 0.000 0.970 312 Q CA 1.908 57.598 55.803 -0.188 0.000 0.855 312 Q CB -1.014 27.559 28.738 -0.276 0.000 0.911 312 Q HN 0.663 nan 8.270 nan 0.000 0.438 313 T N 1.500 116.026 114.554 -0.047 0.000 2.821 313 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 313 T C 1.595 176.283 174.700 -0.020 0.000 1.046 313 T CA 0.959 63.048 62.100 -0.019 0.000 1.139 313 T CB 0.066 68.930 68.868 -0.007 0.000 0.871 313 T HN 0.232 nan 8.240 nan 0.000 0.454 314 E N 1.189 121.373 120.200 -0.025 0.000 2.072 314 E HA 0.019 4.369 4.350 -0.000 0.000 0.190 314 E C 2.626 179.217 176.600 -0.016 0.000 0.982 314 E CA 1.006 57.395 56.400 -0.018 0.000 0.803 314 E CB -0.384 29.306 29.700 -0.017 0.000 0.755 314 E HN 0.482 nan 8.360 nan 0.000 0.453 315 A N 1.609 124.415 122.820 -0.024 0.000 1.933 315 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 315 A C 2.170 179.748 177.584 -0.009 0.000 1.175 315 A CA 1.352 53.379 52.037 -0.016 0.000 0.628 315 A CB -0.443 18.543 19.000 -0.023 0.000 0.814 315 A HN 0.101 nan 8.150 nan 0.000 0.444 316 R N 0.099 120.592 120.500 -0.011 0.000 2.096 316 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 316 R C 1.694 177.994 176.300 -0.000 0.000 1.127 316 R CA 1.576 57.674 56.100 -0.003 0.000 0.968 316 R CB -0.290 30.009 30.300 -0.002 0.000 0.861 316 R HN 0.747 nan 8.270 nan 0.000 0.440 317 K N 0.264 120.663 120.400 -0.002 0.000 2.522 317 K HA 0.010 4.330 4.320 -0.000 0.000 0.194 317 K C 0.705 177.305 176.600 0.001 0.000 1.026 317 K CA 0.567 56.853 56.287 -0.001 0.000 1.119 317 K CB 0.510 33.009 32.500 -0.002 0.000 0.856 317 K HN 0.012 nan 8.250 nan 0.000 0.513 318 Q N 0.427 120.227 119.800 0.001 0.000 2.149 318 Q HA 0.275 4.615 4.340 -0.000 0.000 0.221 318 Q C 0.112 176.115 176.000 0.005 0.000 0.807 318 Q CA 0.017 55.821 55.803 0.002 0.000 1.000 318 Q CB 0.476 29.214 28.738 0.001 0.000 1.157 318 Q HN 0.395 nan 8.270 nan 0.000 0.487 319 M N 1.303 120.907 119.600 0.006 0.000 2.219 319 M HA 0.017 4.497 4.480 -0.000 0.000 0.307 319 M C 0.959 177.265 176.300 0.009 0.000 1.116 319 M CA 0.347 55.652 55.300 0.008 0.000 1.181 319 M CB 0.384 32.990 32.600 0.010 0.000 1.410 319 M HN -0.005 nan 8.290 nan 0.000 0.454 320 S N 0.681 116.387 115.700 0.011 0.000 2.645 320 S HA 0.226 4.696 4.470 -0.000 0.000 0.266 320 S C 0.612 175.219 174.600 0.012 0.000 1.258 320 S CA -0.737 57.470 58.200 0.011 0.000 0.990 320 S CB 1.069 64.276 63.200 0.012 0.000 0.967 320 S HN 0.672 nan 8.310 nan 0.000 0.556 321 K N 0.221 120.628 120.400 0.012 0.000 2.283 321 K HA -0.068 4.252 4.320 -0.000 0.000 0.202 321 K C 1.655 178.264 176.600 0.016 0.000 1.048 321 K CA 1.197 57.493 56.287 0.014 0.000 0.948 321 K CB -0.159 32.349 32.500 0.013 0.000 0.742 321 K HN 0.599 nan 8.250 nan 0.000 0.458 322 E N 0.876 121.085 120.200 0.015 0.000 2.046 322 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 322 E C 1.866 178.477 176.600 0.019 0.000 0.982 322 E CA 0.972 57.382 56.400 0.017 0.000 0.800 322 E CB 0.019 29.728 29.700 0.016 0.000 0.756 322 E HN 0.176 nan 8.360 nan 0.000 0.449 323 E N 0.769 120.979 120.200 0.018 0.000 2.031 323 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 323 E C 1.983 178.595 176.600 0.020 0.000 0.994 323 E CA 0.846 57.257 56.400 0.019 0.000 0.800 323 E CB -0.115 29.595 29.700 0.017 0.000 0.752 323 E HN 0.064 nan 8.360 nan 0.000 0.447 324 K N 0.814 121.226 120.400 0.019 0.000 2.020 324 K HA -0.164 4.156 4.320 -0.000 0.000 0.212 324 K C 2.272 178.886 176.600 0.023 0.000 1.050 324 K CA 0.656 56.955 56.287 0.020 0.000 0.929 324 K CB -0.719 31.791 32.500 0.017 0.000 0.714 324 K HN 0.083 nan 8.250 nan 0.000 0.443 325 L N 1.876 123.113 121.223 0.023 0.000 2.046 325 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 325 L C 2.391 179.279 176.870 0.030 0.000 1.077 325 L CA 1.825 56.680 54.840 0.026 0.000 0.747 325 L CB -0.453 41.620 42.059 0.024 0.000 0.896 325 L HN 0.115 nan 8.230 nan 0.000 0.432 326 K N -0.331 120.086 120.400 0.028 0.000 2.057 326 K HA -0.182 4.137 4.320 -0.000 0.000 0.207 326 K C 2.089 178.711 176.600 0.036 0.000 1.049 326 K CA 1.952 58.258 56.287 0.031 0.000 0.931 326 K CB -0.248 32.269 32.500 0.028 0.000 0.714 326 K HN 0.424 nan 8.250 nan 0.000 0.440 327 I N 1.054 121.644 120.570 0.033 0.000 2.286 327 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 327 I C 2.550 178.692 176.117 0.041 0.000 1.115 327 I CA 1.191 62.513 61.300 0.036 0.000 1.392 327 I CB -0.230 37.788 38.000 0.030 0.000 1.065 327 I HN 0.235 nan 8.210 nan 0.000 0.418 328 K N 1.236 121.660 120.400 0.040 0.000 2.148 328 K HA -0.166 4.154 4.320 -0.000 0.000 0.204 328 K C 1.895 178.528 176.600 0.055 0.000 1.050 328 K CA 1.290 57.604 56.287 0.045 0.000 0.942 328 K CB 0.081 32.604 32.500 0.039 0.000 0.724 328 K HN 0.331 nan 8.250 nan 0.000 0.446 329 E N 0.139 120.370 120.200 0.051 0.000 2.152 329 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 329 E C 1.753 178.393 176.600 0.067 0.000 0.983 329 E CA 0.659 57.092 56.400 0.056 0.000 0.818 329 E CB 0.183 29.911 29.700 0.047 0.000 0.758 329 E HN 0.329 nan 8.360 nan 0.000 0.467 330 E N 0.893 121.133 120.200 0.066 0.000 2.106 330 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 330 E C 1.583 178.242 176.600 0.097 0.000 0.984 330 E CA 0.696 57.142 56.400 0.076 0.000 0.806 330 E CB -0.381 29.358 29.700 0.065 0.000 0.750 330 E HN 0.374 nan 8.360 nan 0.000 0.458 331 N N 0.785 119.540 118.700 0.092 0.000 2.142 331 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 331 N C 1.761 177.357 175.510 0.144 0.000 1.023 331 N CA 0.667 53.785 53.050 0.114 0.000 0.852 331 N CB 0.010 38.550 38.487 0.088 0.000 0.998 331 N HN 0.254 nan 8.380 nan 0.000 0.424 332 E N 1.278 121.548 120.200 0.118 0.000 2.077 332 E HA -0.216 4.133 4.350 -0.000 0.000 0.193 332 E C 1.948 178.628 176.600 0.133 0.000 0.989 332 E CA 1.085 57.558 56.400 0.123 0.000 0.800 332 E CB -0.012 29.745 29.700 0.094 0.000 0.746 332 E HN 0.481 nan 8.360 nan 0.000 0.452 333 K N 0.620 121.092 120.400 0.121 0.000 2.217 333 K HA -0.098 4.222 4.320 -0.000 0.000 0.202 333 K C 2.048 178.748 176.600 0.166 0.000 1.051 333 K CA 0.731 57.090 56.287 0.119 0.000 0.952 333 K CB -0.031 32.528 32.500 0.098 0.000 0.736 333 K HN 0.004 nan 8.250 nan 0.000 0.453 334 L N 1.559 122.907 121.223 0.208 0.000 2.109 334 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 334 L C 2.077 179.131 176.870 0.306 0.000 1.086 334 L CA 1.096 56.122 54.840 0.310 0.000 0.760 334 L CB -0.384 41.845 42.059 0.283 0.000 0.910 334 L HN 0.352 nan 8.230 nan 0.000 0.437 335 L N -0.708 120.662 121.223 0.246 0.000 2.093 335 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 335 L C 2.215 179.162 176.870 0.127 0.000 1.085 335 L CA 1.584 56.508 54.840 0.140 0.000 0.755 335 L CB -0.728 41.463 42.059 0.220 0.000 0.904 335 L HN 0.303 nan 8.230 nan 0.000 0.435 336 K N 0.283 120.790 120.400 0.179 0.000 2.103 336 K HA -0.140 4.180 4.320 -0.000 0.000 0.204 336 K C 1.912 178.557 176.600 0.075 0.000 1.052 336 K CA 1.118 57.502 56.287 0.160 0.000 0.945 336 K CB -0.209 32.329 32.500 0.063 0.000 0.722 336 K HN 0.300 nan 8.250 nan 0.000 0.443 337 E N -0.370 119.847 120.200 0.028 0.000 2.112 337 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 337 E C 1.243 177.618 176.600 -0.376 0.000 0.979 337 E CA 1.062 57.367 56.400 -0.158 0.000 0.814 337 E CB -0.001 29.611 29.700 -0.147 0.000 0.762 337 E HN 0.387 nan 8.360 nan 0.000 0.460 338 Y N -2.227 118.002 120.300 -0.118 0.000 2.426 338 Y HA 0.332 4.881 4.550 -0.000 0.000 0.249 338 Y C 1.917 177.384 175.900 -0.722 0.000 1.103 338 Y CA 0.138 58.086 58.100 -0.253 0.000 1.256 338 Y CB 0.724 39.136 38.460 -0.080 0.000 1.208 338 Y HN 0.046 nan 8.280 nan 0.000 0.519 339 G N -0.498 107.798 108.800 -0.841 0.000 2.920 339 G HA2 0.077 4.037 3.960 -0.000 0.000 0.208 339 G HA3 0.077 4.037 3.960 -0.000 0.000 0.208 339 G C -0.193 174.303 174.900 -0.672 0.000 1.159 339 G CA 0.388 44.822 45.100 -1.110 0.000 0.784 339 G HN 0.095 nan 8.290 nan 0.000 0.535 340 F N -0.685 119.132 119.950 -0.222 0.000 2.593 340 F HA 0.606 5.133 4.527 -0.000 0.000 0.320 340 F C 0.275 176.042 175.800 -0.054 0.000 1.060 340 F CA -1.334 56.609 58.000 -0.095 0.000 0.940 340 F CB 1.872 40.832 39.000 -0.066 0.000 1.268 340 F HN 0.087 nan 8.300 nan 0.000 0.475 341 C N 1.778 121.190 119.300 0.186 0.000 3.090 341 C HA 0.810 5.270 4.460 -0.000 0.000 0.305 341 C C -1.420 173.641 174.990 0.118 0.000 1.292 341 C CA -0.953 58.136 59.018 0.118 0.000 1.482 341 C CB 1.163 28.933 27.740 0.050 0.000 1.897 341 C HN 0.609 nan 8.230 nan 0.000 0.469 342 I N 3.092 123.718 120.570 0.093 0.000 2.321 342 I HA 0.477 4.646 4.170 -0.000 0.000 0.291 342 I C -0.041 176.137 176.117 0.101 0.000 0.998 342 I CA -0.323 61.055 61.300 0.129 0.000 1.227 342 I CB 1.158 39.287 38.000 0.216 0.000 1.368 342 I HN 0.931 nan 8.210 nan 0.000 0.466 343 M N 6.217 125.885 119.600 0.114 0.000 2.151 343 M HA 0.325 4.805 4.480 -0.000 0.000 0.290 343 M C -1.216 175.190 176.300 0.176 0.000 0.965 343 M CA -0.221 55.128 55.300 0.082 0.000 0.930 343 M CB 0.809 33.415 32.600 0.011 0.000 1.560 343 M HN 0.476 nan 8.290 nan 0.000 0.438 344 D N 4.883 125.442 120.400 0.265 0.000 3.478 344 D HA -0.232 4.408 4.640 -0.000 0.000 0.219 344 D C 0.155 176.494 176.300 0.065 0.000 1.143 344 D CA 1.879 56.017 54.000 0.230 0.000 1.047 344 D CB -0.907 40.072 40.800 0.298 0.000 0.820 344 D HN 1.117 nan 8.370 nan 0.000 0.393 345 N N -0.852 117.797 118.700 -0.084 0.000 2.961 345 N HA -0.262 4.478 4.740 -0.000 0.000 0.223 345 N C -0.027 175.126 175.510 -0.595 0.000 0.866 345 N CA 1.803 54.657 53.050 -0.327 0.000 1.030 345 N CB -0.576 37.703 38.487 -0.346 0.000 1.037 345 N HN 0.652 nan 8.380 nan 0.000 0.608 346 H N -0.182 118.762 119.070 -0.211 0.000 2.821 346 H HA 0.370 4.926 4.556 -0.000 0.000 0.373 346 H C -0.554 174.765 175.328 -0.014 0.000 1.165 346 H CA -0.790 55.142 56.048 -0.193 0.000 1.154 346 H CB 1.758 31.297 29.762 -0.372 0.000 1.765 346 H HN 0.025 nan 8.280 nan 0.000 0.549 347 K N 2.044 122.537 120.400 0.155 0.000 2.227 347 K HA 0.250 4.569 4.320 -0.000 0.000 0.280 347 K C -0.746 176.021 176.600 0.279 0.000 1.041 347 K CA -0.220 56.169 56.287 0.171 0.000 0.905 347 K CB 0.826 33.376 32.500 0.083 0.000 1.068 347 K HN 0.606 nan 8.250 nan 0.000 0.470 348 E N 3.027 123.396 120.200 0.282 0.000 2.317 348 E HA 0.212 4.562 4.350 -0.000 0.000 0.270 348 E C -1.154 175.554 176.600 0.180 0.000 0.885 348 E CA -1.113 55.443 56.400 0.261 0.000 0.760 348 E CB 2.292 32.104 29.700 0.186 0.000 1.227 348 E HN 0.471 nan 8.360 nan 0.000 0.434 349 R N 2.212 122.734 120.500 0.038 0.000 2.543 349 R HA 0.250 4.589 4.340 -0.000 0.000 0.277 349 R C -0.421 175.778 176.300 -0.169 0.000 1.074 349 R CA -0.071 55.846 56.100 -0.306 0.000 1.076 349 R CB 0.419 30.491 30.300 -0.379 0.000 0.993 349 R HN 0.443 nan 8.270 nan 0.000 0.459 350 I N 4.137 124.580 120.570 -0.211 0.000 2.396 350 I HA 0.147 4.316 4.170 -0.000 0.000 0.292 350 I C 1.182 177.317 176.117 0.030 0.000 0.999 350 I CA -0.348 60.917 61.300 -0.059 0.000 1.310 350 I CB 1.820 39.805 38.000 -0.025 0.000 1.404 350 I HN 0.834 nan 8.210 nan 0.000 0.496 351 A N 5.980 128.828 122.820 0.046 0.000 1.828 351 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 351 A C 1.012 178.649 177.584 0.089 0.000 1.203 351 A CA 1.274 53.343 52.037 0.053 0.000 0.614 351 A CB -0.194 18.819 19.000 0.022 0.000 0.844 351 A HN 0.808 nan 8.150 nan 0.000 0.445 352 N N 0.153 118.898 118.700 0.075 0.000 2.918 352 N HA 0.300 5.039 4.740 -0.000 0.000 0.270 352 N C 0.112 175.626 175.510 0.007 0.000 1.536 352 N CA -0.036 53.008 53.050 -0.010 0.000 0.877 352 N CB 0.754 39.234 38.487 -0.012 0.000 1.190 352 N HN 0.527 nan 8.380 nan 0.000 0.492 353 F N 0.212 120.151 119.950 -0.019 0.000 2.407 353 F HA 0.191 4.718 4.527 -0.000 0.000 0.299 353 F C 0.526 176.278 175.800 -0.080 0.000 1.097 353 F CA 0.105 58.090 58.000 -0.025 0.000 1.422 353 F CB -0.038 38.968 39.000 0.010 0.000 1.067 353 F HN -0.213 nan 8.300 nan 0.000 0.539 354 K N 2.427 122.448 120.400 -0.632 0.000 2.285 354 K HA 0.356 4.676 4.320 -0.000 0.000 0.286 354 K C -0.217 176.207 176.600 -0.293 0.000 1.072 354 K CA -0.375 55.629 56.287 -0.472 0.000 0.913 354 K CB 1.268 33.439 32.500 -0.548 0.000 1.067 354 K HN 0.195 nan 8.250 nan 0.000 0.479 355 I N 2.986 123.373 120.570 -0.305 0.000 2.556 355 I HA -0.035 4.135 4.170 -0.000 0.000 0.284 355 I C 0.738 176.748 176.117 -0.179 0.000 1.114 355 I CA -0.180 60.949 61.300 -0.285 0.000 1.418 355 I CB 0.489 38.174 38.000 -0.524 0.000 1.394 355 I HN 0.475 nan 8.210 nan 0.000 0.552 356 E N 8.494 128.637 120.200 -0.095 0.000 2.452 356 E HA 0.054 4.404 4.350 -0.000 0.000 0.261 356 E C -1.997 174.561 176.600 -0.071 0.000 0.987 356 E CA -0.843 55.516 56.400 -0.068 0.000 0.926 356 E CB 0.226 29.912 29.700 -0.023 0.000 0.934 356 E HN 0.289 nan 8.360 nan 0.000 0.452 357 P HA 0.144 nan 4.420 nan 0.000 0.273 357 P C -2.476 174.779 177.300 -0.076 0.000 1.250 357 P CA -1.148 61.930 63.100 -0.037 0.000 0.793 357 P CB -0.129 31.565 31.700 -0.010 0.000 1.011 358 P HA 0.298 nan 4.420 nan 0.000 0.272 358 P C 0.101 177.071 177.300 -0.550 0.000 1.230 358 P CA 0.371 63.392 63.100 -0.131 0.000 0.788 358 P CB 0.488 32.230 31.700 0.070 0.000 0.949 359 G N 0.074 108.464 108.800 -0.684 0.000 2.427 359 G HA2 0.430 4.390 3.960 -0.000 0.000 0.306 359 G HA3 0.430 4.390 3.960 -0.000 0.000 0.306 359 G C -1.854 172.772 174.900 -0.457 0.000 1.280 359 G CA -0.817 43.617 45.100 -1.109 0.000 0.837 359 G HN 0.442 nan 8.290 nan 0.000 0.482 360 L N 0.543 121.617 121.223 -0.248 0.000 2.309 360 L HA 0.567 4.907 4.340 -0.000 0.000 0.282 360 L C -0.426 176.456 176.870 0.020 0.000 1.036 360 L CA -0.735 54.112 54.840 0.012 0.000 0.806 360 L CB 1.853 44.017 42.059 0.175 0.000 1.220 360 L HN 0.533 nan 8.230 nan 0.000 0.429 361 F N 2.982 122.866 119.950 -0.110 0.000 2.399 361 F HA 0.274 4.801 4.527 -0.000 0.000 0.342 361 F C 1.077 176.794 175.800 -0.137 0.000 1.106 361 F CA 0.249 58.162 58.000 -0.145 0.000 1.196 361 F CB 0.735 39.630 39.000 -0.175 0.000 1.163 361 F HN 0.460 nan 8.300 nan 0.000 0.547 362 R N 3.197 123.120 120.500 -0.961 0.000 2.428 362 R HA 0.293 4.633 4.340 -0.000 0.000 0.193 362 R C 0.762 176.475 176.300 -0.979 0.000 0.852 362 R CA 0.925 56.583 56.100 -0.736 0.000 1.055 362 R CB 0.017 29.896 30.300 -0.702 0.000 1.343 362 R HN 1.011 nan 8.270 nan 0.000 0.655 363 G N 1.994 109.946 108.800 -1.415 0.000 2.645 363 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.239 363 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.239 363 G C -0.947 173.748 174.900 -0.342 0.000 1.331 363 G CA -0.065 44.512 45.100 -0.871 0.000 0.890 363 G HN 0.365 nan 8.290 nan 0.000 0.572 364 R N -0.106 120.343 120.500 -0.085 0.000 2.740 364 R HA 0.620 4.959 4.340 -0.000 0.000 0.282 364 R C 0.702 177.030 176.300 0.047 0.000 0.969 364 R CA 0.073 56.153 56.100 -0.034 0.000 0.918 364 R CB 1.433 31.726 30.300 -0.011 0.000 1.175 364 R HN 2.486 nan 8.270 nan 0.000 0.464 365 G N 2.049 110.864 108.800 0.025 0.000 2.598 365 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.244 365 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.244 365 G C -0.522 174.421 174.900 0.072 0.000 1.302 365 G CA -0.242 44.888 45.100 0.051 0.000 0.903 365 G HN 0.727 nan 8.290 nan 0.000 0.575 366 N N 0.677 119.424 118.700 0.078 0.000 2.807 366 N HA 0.185 4.925 4.740 -0.000 0.000 0.259 366 N C -0.020 175.556 175.510 0.110 0.000 1.149 366 N CA -0.038 53.067 53.050 0.093 0.000 1.042 366 N CB -0.224 38.309 38.487 0.075 0.000 1.367 366 N HN 0.647 nan 8.380 nan 0.000 0.516 367 H N 2.491 121.609 119.070 0.081 0.000 2.580 367 H HA 0.214 4.771 4.556 0.002 0.000 0.322 367 H C -1.570 173.837 175.328 0.132 0.000 1.082 367 H CA -1.641 54.481 56.048 0.123 0.000 1.383 367 H CB 1.591 31.466 29.762 0.189 0.000 1.450 367 H HN 0.403 nan 8.280 nan 0.000 0.505 368 P HA -0.086 nan 4.420 nan 0.000 0.225 368 P C 0.160 177.613 177.300 0.255 0.000 1.148 368 P CA 1.309 64.503 63.100 0.157 0.000 0.779 368 P CB 0.296 32.018 31.700 0.037 0.000 0.780 369 K N -0.868 119.840 120.400 0.513 0.000 2.372 369 K HA 0.202 4.521 4.320 -0.000 0.000 0.200 369 K C 0.795 177.546 176.600 0.252 0.000 1.022 369 K CA -0.223 56.222 56.287 0.263 0.000 1.125 369 K CB -0.162 32.379 32.500 0.068 0.000 0.855 369 K HN 0.266 nan 8.250 nan 0.000 0.524 370 M N -1.100 118.692 119.600 0.320 0.000 2.250 370 M HA 0.159 4.639 4.480 -0.000 0.000 0.337 370 M C 0.887 177.150 176.300 -0.063 0.000 1.161 370 M CA 1.380 56.808 55.300 0.213 0.000 1.088 370 M CB 0.326 33.066 32.600 0.233 0.000 1.639 370 M HN 0.247 nan 8.290 nan 0.000 0.447 371 G N 2.190 110.718 108.800 -0.454 0.000 2.258 371 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.233 371 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.233 371 G C 0.169 174.901 174.900 -0.280 0.000 1.006 371 G CA 0.128 44.588 45.100 -1.067 0.000 0.620 371 G HN 0.733 nan 8.290 nan 0.000 0.511 372 M N 0.608 120.162 119.600 -0.076 0.000 2.250 372 M HA 0.428 4.908 4.480 -0.000 0.000 0.325 372 M C 0.488 176.809 176.300 0.034 0.000 1.084 372 M CA -0.303 54.988 55.300 -0.015 0.000 1.161 372 M CB 0.733 33.305 32.600 -0.048 0.000 1.481 372 M HN 0.279 nan 8.290 nan 0.000 0.449 373 L N 3.347 124.588 121.223 0.029 0.000 2.290 373 L HA 0.241 4.580 4.340 -0.000 0.000 0.284 373 L C -0.619 176.264 176.870 0.021 0.000 1.078 373 L CA 0.266 55.141 54.840 0.060 0.000 0.815 373 L CB 0.407 42.512 42.059 0.077 0.000 1.162 373 L HN 0.449 nan 8.230 nan 0.000 0.435 374 K N 5.980 126.385 120.400 0.008 0.000 2.250 374 K HA 0.243 4.562 4.320 -0.000 0.000 0.280 374 K C -0.201 176.400 176.600 0.000 0.000 1.098 374 K CA -0.643 55.642 56.287 -0.003 0.000 0.916 374 K CB 0.383 32.879 32.500 -0.007 0.000 1.209 374 K HN 0.526 nan 8.250 nan 0.000 0.461 375 R N 3.062 123.574 120.500 0.019 0.000 2.738 375 R HA 0.101 4.441 4.340 -0.000 0.000 0.268 375 R C -0.341 175.973 176.300 0.023 0.000 1.062 375 R CA -0.171 55.950 56.100 0.034 0.000 1.158 375 R CB 0.438 30.754 30.300 0.027 0.000 1.046 375 R HN 0.517 nan 8.270 nan 0.000 0.493 376 R N 2.734 123.255 120.500 0.035 0.000 2.458 376 R HA 0.052 4.392 4.340 -0.000 0.000 0.303 376 R C -0.021 176.274 176.300 -0.009 0.000 1.013 376 R CA -0.315 55.798 56.100 0.021 0.000 1.026 376 R CB 0.286 30.612 30.300 0.043 0.000 0.948 376 R HN 0.479 nan 8.270 nan 0.000 0.417 377 I N 6.006 126.547 120.570 -0.048 0.000 2.496 377 I HA 0.072 4.242 4.170 -0.000 0.000 0.285 377 I C 0.461 176.575 176.117 -0.006 0.000 1.080 377 I CA 0.304 61.543 61.300 -0.102 0.000 1.404 377 I CB 0.784 38.548 38.000 -0.394 0.000 1.403 377 I HN 0.620 nan 8.210 nan 0.000 0.539 378 M N 8.276 127.859 119.600 -0.027 0.000 2.664 378 M HA 0.382 4.862 4.480 -0.000 0.000 0.314 378 M C -1.656 174.606 176.300 -0.063 0.000 1.200 378 M CA -2.430 52.778 55.300 -0.154 0.000 0.916 378 M CB 0.939 33.481 32.600 -0.097 0.000 1.717 378 M HN 0.062 nan 8.290 nan 0.000 0.470 379 P HA -0.163 nan 4.420 nan 0.000 0.217 379 P C 0.689 178.124 177.300 0.225 0.000 1.148 379 P CA 1.491 64.618 63.100 0.046 0.000 0.828 379 P CB 0.284 31.738 31.700 -0.410 0.000 0.783 380 E N -0.790 119.470 120.200 0.099 0.000 2.265 380 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 380 E C 1.247 177.938 176.600 0.151 0.000 0.996 380 E CA 1.007 57.483 56.400 0.126 0.000 0.832 380 E CB -0.724 29.022 29.700 0.076 0.000 0.756 380 E HN 0.368 nan 8.360 nan 0.000 0.491 381 D N -0.485 120.007 120.400 0.154 0.000 2.350 381 D HA 0.009 4.649 4.640 -0.000 0.000 0.213 381 D C 0.142 176.583 176.300 0.235 0.000 1.031 381 D CA 0.094 54.191 54.000 0.162 0.000 0.861 381 D CB 0.546 41.418 40.800 0.121 0.000 0.926 381 D HN 0.118 nan 8.370 nan 0.000 0.520 382 I N 2.047 122.798 120.570 0.301 0.000 2.395 382 I HA 0.218 4.388 4.170 -0.000 0.000 0.289 382 I C 0.518 176.796 176.117 0.269 0.000 1.023 382 I CA -0.403 61.096 61.300 0.332 0.000 1.350 382 I CB 1.042 39.310 38.000 0.447 0.000 1.409 382 I HN -0.259 nan 8.210 nan 0.000 0.507 383 I N 6.607 127.297 120.570 0.201 0.000 2.362 383 I HA 0.350 4.520 4.170 -0.000 0.000 0.289 383 I C -0.046 176.179 176.117 0.180 0.000 0.994 383 I CA -0.587 60.824 61.300 0.184 0.000 1.158 383 I CB 1.704 39.830 38.000 0.209 0.000 1.315 383 I HN 0.235 nan 8.210 nan 0.000 0.451 384 I N 5.154 125.733 120.570 0.014 0.000 2.428 384 I HA 0.308 4.478 4.170 -0.000 0.000 0.296 384 I C -0.215 175.933 176.117 0.052 0.000 0.985 384 I CA -0.364 60.901 61.300 -0.059 0.000 1.260 384 I CB 1.482 39.202 38.000 -0.466 0.000 1.389 384 I HN 0.559 nan 8.210 nan 0.000 0.484 385 N N 5.255 124.020 118.700 0.109 0.000 2.314 385 N HA 0.692 5.432 4.740 -0.000 0.000 0.294 385 N C -1.116 174.380 175.510 -0.023 0.000 1.029 385 N CA -0.252 52.764 53.050 -0.057 0.000 0.845 385 N CB 1.488 39.753 38.487 -0.369 0.000 1.321 385 N HN 0.830 nan 8.380 nan 0.000 0.481 386 C N 0.657 119.921 119.300 -0.061 0.000 3.275 386 C HA 0.770 5.230 4.460 -0.000 0.000 0.340 386 C C -0.133 174.861 174.990 0.008 0.000 1.366 386 C CA -1.100 57.795 59.018 -0.205 0.000 1.227 386 C CB 0.492 28.088 27.740 -0.240 0.000 1.512 386 C HN 0.730 nan 8.230 nan 0.000 0.461 387 S N 0.499 116.041 115.700 -0.263 0.000 2.592 387 S HA 0.329 4.798 4.470 -0.000 0.000 0.271 387 S C 0.588 175.149 174.600 -0.065 0.000 1.326 387 S CA -0.410 57.803 58.200 0.022 0.000 1.024 387 S CB 0.635 63.781 63.200 -0.090 0.000 0.921 387 S HN 0.868 nan 8.310 nan 0.000 0.527 388 K N 0.542 120.839 120.400 -0.171 0.000 2.442 388 K HA -0.099 4.221 4.320 -0.000 0.000 0.198 388 K C 0.410 176.926 176.600 -0.140 0.000 1.044 388 K CA 1.421 57.472 56.287 -0.394 0.000 0.948 388 K CB -0.271 32.016 32.500 -0.356 0.000 0.762 388 K HN 0.815 nan 8.250 nan 0.000 0.472 389 D N -0.796 119.592 120.400 -0.021 0.000 2.398 389 D HA 0.086 4.726 4.640 -0.000 0.000 0.210 389 D C 0.319 176.701 176.300 0.137 0.000 1.094 389 D CA -0.273 53.777 54.000 0.084 0.000 0.839 389 D CB 0.109 41.015 40.800 0.176 0.000 0.963 389 D HN 0.001 nan 8.370 nan 0.000 0.506 390 A N 0.503 123.305 122.820 -0.030 0.000 2.271 390 A HA 0.398 4.718 4.320 -0.000 0.000 0.288 390 A C 0.208 177.776 177.584 -0.027 0.000 1.094 390 A CA -0.695 51.292 52.037 -0.083 0.000 0.828 390 A CB 0.554 19.270 19.000 -0.473 0.000 1.091 390 A HN 0.082 nan 8.150 nan 0.000 0.493 391 K N 1.348 121.744 120.400 -0.007 0.000 2.349 391 K HA 0.375 4.695 4.320 -0.000 0.000 0.289 391 K C -0.834 175.745 176.600 -0.035 0.000 1.064 391 K CA -0.303 55.985 56.287 0.003 0.000 0.947 391 K CB 0.205 32.715 32.500 0.017 0.000 1.007 391 K HN 0.408 nan 8.250 nan 0.000 0.478 392 V N 7.875 127.793 119.914 0.007 0.000 2.521 392 V HA 0.089 4.209 4.120 -0.000 0.000 0.286 392 V C -1.596 174.543 176.094 0.075 0.000 1.034 392 V CA -1.287 61.023 62.300 0.018 0.000 1.045 392 V CB 0.489 32.370 31.823 0.098 0.000 0.974 392 V HN 0.872 nan 8.190 nan 0.000 0.480 393 P HA 0.122 nan 4.420 nan 0.000 0.268 393 P C -0.446 177.142 177.300 0.480 0.000 1.205 393 P CA -0.101 63.127 63.100 0.213 0.000 0.771 393 P CB 0.656 32.451 31.700 0.158 0.000 0.858 394 S N 3.980 119.897 115.700 0.363 0.000 2.499 394 S HA 0.393 4.862 4.470 -0.000 0.000 0.279 394 S C -1.825 172.853 174.600 0.130 0.000 1.219 394 S CA -0.979 57.365 58.200 0.241 0.000 1.062 394 S CB 0.400 63.672 63.200 0.120 0.000 0.978 394 S HN 0.466 nan 8.310 nan 0.000 0.489 395 P HA 0.313 nan 4.420 nan 0.000 0.274 395 P C -2.810 174.279 177.300 -0.352 0.000 1.246 395 P CA -1.596 60.944 63.100 -0.935 0.000 0.795 395 P CB -0.718 30.108 31.700 -1.456 0.000 1.006 396 P HA 0.166 nan 4.420 nan 0.000 0.266 396 P C -2.287 174.986 177.300 -0.045 0.000 1.195 396 P CA -0.676 62.340 63.100 -0.140 0.000 0.768 396 P CB -1.222 30.317 31.700 -0.267 0.000 0.838 397 P HA -0.011 nan 4.420 nan 0.000 0.260 397 P C 0.916 178.231 177.300 0.026 0.000 1.172 397 P CA 1.615 64.719 63.100 0.006 0.000 0.760 397 P CB -0.039 31.666 31.700 0.008 0.000 0.773 398 G N 1.026 109.792 108.800 -0.055 0.000 2.141 398 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.242 398 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.242 398 G C -0.058 174.624 174.900 -0.363 0.000 0.982 398 G CA -0.127 44.869 45.100 -0.173 0.000 0.662 398 G HN 0.668 nan 8.290 nan 0.000 0.527 399 H N -0.908 118.053 119.070 -0.182 0.000 2.907 399 H HA 0.822 5.378 4.556 -0.001 0.000 0.361 399 H C -0.050 175.120 175.328 -0.263 0.000 1.194 399 H CA -0.492 55.421 56.048 -0.225 0.000 1.152 399 H CB 1.862 31.439 29.762 -0.309 0.000 1.867 399 H HN 0.239 nan 8.280 nan 0.000 0.561 400 K N 0.660 121.002 120.400 -0.097 0.000 2.502 400 K HA 0.274 4.594 4.320 -0.000 0.000 0.257 400 K C -1.375 175.192 176.600 -0.055 0.000 0.938 400 K CA -0.710 55.495 56.287 -0.137 0.000 0.819 400 K CB 1.704 34.185 32.500 -0.031 0.000 1.333 400 K HN 0.497 nan 8.250 nan 0.000 0.434 401 W N 3.374 124.730 121.300 0.092 0.000 2.126 401 W HA 0.207 4.867 4.660 -0.001 0.000 0.346 401 W C 1.524 178.098 176.519 0.092 0.000 1.279 401 W CA -0.339 57.070 57.345 0.107 0.000 1.259 401 W CB 0.632 30.164 29.460 0.121 0.000 1.133 401 W HN 0.694 nan 8.180 nan 0.000 0.592 402 K N 0.372 121.000 120.400 0.379 0.000 2.057 402 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 402 K C 0.245 176.969 176.600 0.208 0.000 1.049 402 K CA 1.575 58.001 56.287 0.232 0.000 0.931 402 K CB 0.130 32.750 32.500 0.200 0.000 0.714 402 K HN 0.583 nan 8.250 nan 0.000 0.440 403 E N -0.827 119.511 120.200 0.231 0.000 2.388 403 E HA 0.196 4.546 4.350 -0.000 0.000 0.280 403 E C -1.931 174.745 176.600 0.126 0.000 1.019 403 E CA -0.752 55.748 56.400 0.167 0.000 0.806 403 E CB 2.120 31.899 29.700 0.131 0.000 1.246 403 E HN -0.096 nan 8.360 nan 0.000 0.443 404 V N 4.367 124.322 119.914 0.067 0.000 2.376 404 V HA 0.496 4.616 4.120 -0.000 0.000 0.287 404 V C -0.103 175.869 176.094 -0.204 0.000 1.015 404 V CA -0.564 61.709 62.300 -0.045 0.000 0.834 404 V CB 1.046 32.877 31.823 0.013 0.000 1.001 404 V HN 0.619 nan 8.190 nan 0.000 0.428 405 R N 2.966 123.315 120.500 -0.253 0.000 2.919 405 R HA 0.681 5.021 4.340 -0.000 0.000 0.260 405 R C -1.057 174.920 176.300 -0.538 0.000 1.067 405 R CA -0.898 54.969 56.100 -0.387 0.000 1.003 405 R CB 1.755 31.992 30.300 -0.104 0.000 1.192 405 R HN 0.600 nan 8.270 nan 0.000 0.488 406 H N 0.239 119.339 119.070 0.049 0.000 2.336 406 H HA 0.209 4.764 4.556 -0.000 0.000 0.230 406 H C -1.196 174.160 175.328 0.047 0.000 1.426 406 H CA -0.635 55.474 56.048 0.102 0.000 1.359 406 H CB 0.509 30.326 29.762 0.092 0.000 1.555 406 H HN 0.559 nan 8.280 nan 0.000 0.512 407 D N 2.002 122.432 120.400 0.050 0.000 2.467 407 D HA -0.007 4.633 4.640 -0.000 0.000 0.220 407 D C 0.942 177.080 176.300 -0.270 0.000 1.103 407 D CA -0.361 53.571 54.000 -0.113 0.000 0.886 407 D CB 0.457 41.156 40.800 -0.168 0.000 1.025 407 D HN 0.388 nan 8.370 nan 0.000 0.514 408 N N 2.697 121.015 118.700 -0.637 0.000 2.449 408 N HA -0.080 4.660 4.740 -0.000 0.000 0.191 408 N C 0.605 175.640 175.510 -0.792 0.000 1.161 408 N CA 0.198 52.406 53.050 -1.403 0.000 0.863 408 N CB 0.229 37.788 38.487 -1.546 0.000 0.980 408 N HN 0.137 nan 8.380 nan 0.000 0.458 409 K N 0.178 120.319 120.400 -0.432 0.000 2.393 409 K HA 0.153 4.473 4.320 -0.000 0.000 0.193 409 K C 0.590 177.065 176.600 -0.209 0.000 1.026 409 K CA 0.103 56.231 56.287 -0.265 0.000 1.064 409 K CB 0.397 32.800 32.500 -0.162 0.000 0.833 409 K HN 0.344 nan 8.250 nan 0.000 0.521 410 V N -2.129 117.637 119.914 -0.248 0.000 3.046 410 V HA 0.458 4.577 4.120 -0.000 0.000 0.316 410 V C 0.942 176.971 176.094 -0.108 0.000 1.104 410 V CA -0.635 61.544 62.300 -0.200 0.000 1.006 410 V CB 1.634 33.241 31.823 -0.359 0.000 1.058 410 V HN 0.093 nan 8.190 nan 0.000 0.440 411 T N -1.938 112.581 114.554 -0.058 0.000 3.069 411 T HA 0.194 4.544 4.350 -0.000 0.000 0.252 411 T C 0.436 175.161 174.700 0.041 0.000 1.053 411 T CA -0.138 61.984 62.100 0.037 0.000 0.964 411 T CB -0.139 68.731 68.868 0.005 0.000 1.005 411 T HN 0.914 nan 8.240 nan 0.000 0.532 412 W N 0.713 121.995 121.300 -0.030 0.000 2.215 412 W HA 0.563 5.223 4.660 0.000 0.000 0.342 412 W C -0.481 176.018 176.519 -0.032 0.000 1.237 412 W CA -1.268 56.048 57.345 -0.049 0.000 1.283 412 W CB 0.476 29.910 29.460 -0.043 0.000 1.131 412 W HN -0.137 nan 8.180 nan 0.000 0.606 413 L N 2.207 123.576 121.223 0.244 0.000 2.362 413 L HA 0.177 4.517 4.340 -0.000 0.000 0.204 413 L C 0.492 177.489 176.870 0.212 0.000 1.060 413 L CA 0.677 55.478 54.840 -0.064 0.000 0.827 413 L CB -0.793 40.916 42.059 -0.583 0.000 1.027 413 L HN 0.271 nan 8.230 nan 0.000 0.474 414 V N -0.932 119.199 119.914 0.361 0.000 2.760 414 V HA 0.707 4.826 4.120 -0.000 0.000 0.309 414 V C -0.616 175.591 176.094 0.188 0.000 1.077 414 V CA -0.588 61.912 62.300 0.333 0.000 0.910 414 V CB 1.962 33.923 31.823 0.229 0.000 1.008 414 V HN 0.222 nan 8.190 nan 0.000 0.424 415 S N 2.746 118.427 115.700 -0.032 0.000 2.595 415 S HA 0.959 5.429 4.470 -0.000 0.000 0.281 415 S C -1.493 173.036 174.600 -0.118 0.000 1.117 415 S CA -0.716 57.146 58.200 -0.562 0.000 0.873 415 S CB 2.500 64.858 63.200 -1.404 0.000 1.108 415 S HN 1.467 nan 8.310 nan 0.000 0.477 416 W N -0.675 120.378 121.300 -0.411 0.000 3.153 416 W HA 0.662 5.322 4.660 -0.000 0.000 0.316 416 W C -1.818 174.541 176.519 -0.267 0.000 1.255 416 W CA -0.842 56.361 57.345 -0.236 0.000 1.192 416 W CB 0.472 29.863 29.460 -0.115 0.000 1.400 416 W HN 0.558 nan 8.180 nan 0.000 0.568 417 T N 2.593 117.152 114.554 0.009 0.000 2.744 417 T HA 0.363 4.713 4.350 -0.000 0.000 0.291 417 T C -0.398 174.332 174.700 0.051 0.000 0.957 417 T CA -0.406 61.643 62.100 -0.085 0.000 1.002 417 T CB 0.745 69.581 68.868 -0.053 0.000 0.919 417 T HN 0.446 nan 8.240 nan 0.000 0.468 418 E N 2.206 122.382 120.200 -0.041 0.000 2.283 418 E HA 0.194 4.544 4.350 -0.000 0.000 0.278 418 E C 0.847 177.428 176.600 -0.031 0.000 1.027 418 E CA -0.678 55.740 56.400 0.029 0.000 0.843 418 E CB 0.382 30.074 29.700 -0.013 0.000 1.062 418 E HN 0.704 nan 8.360 nan 0.000 0.401 419 N N 3.461 122.150 118.700 -0.018 0.000 2.453 419 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 419 N C 0.849 176.298 175.510 -0.102 0.000 1.041 419 N CA 0.378 53.399 53.050 -0.048 0.000 0.900 419 N CB -0.063 38.407 38.487 -0.028 0.000 0.961 419 N HN 0.372 nan 8.380 nan 0.000 0.443 420 I N 1.074 121.545 120.570 -0.164 0.000 2.141 420 I HA -0.146 4.024 4.170 -0.000 0.000 0.236 420 I C 2.184 178.158 176.117 -0.238 0.000 1.071 420 I CA 1.390 62.520 61.300 -0.285 0.000 1.345 420 I CB -1.181 36.471 38.000 -0.580 0.000 1.066 420 I HN 0.305 nan 8.210 nan 0.000 0.406 421 Q N 0.133 119.804 119.800 -0.215 0.000 2.384 421 Q HA 0.198 4.538 4.340 -0.000 0.000 0.207 421 Q C 1.355 177.296 176.000 -0.098 0.000 0.904 421 Q CA 0.772 56.494 55.803 -0.135 0.000 0.933 421 Q CB 0.505 29.177 28.738 -0.111 0.000 1.077 421 Q HN 0.692 nan 8.270 nan 0.000 0.522 422 G N 2.167 110.905 108.800 -0.103 0.000 2.147 422 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.244 422 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.244 422 G C 0.256 175.096 174.900 -0.099 0.000 1.005 422 G CA 0.574 45.623 45.100 -0.084 0.000 0.713 422 G HN 0.451 nan 8.290 nan 0.000 0.515 423 S N -0.925 114.699 115.700 -0.127 0.000 2.713 423 S HA 0.807 5.277 4.470 -0.000 0.000 0.283 423 S C 0.286 174.725 174.600 -0.268 0.000 1.161 423 S CA -0.997 57.107 58.200 -0.160 0.000 0.999 423 S CB 1.966 65.085 63.200 -0.135 0.000 1.039 423 S HN 0.571 nan 8.310 nan 0.000 0.548 424 I N 1.587 121.939 120.570 -0.364 0.000 2.331 424 I HA 0.368 4.538 4.170 -0.000 0.000 0.292 424 I C 0.204 175.733 176.117 -0.979 0.000 0.998 424 I CA -0.742 60.151 61.300 -0.678 0.000 1.267 424 I CB 0.916 38.472 38.000 -0.740 0.000 1.386 424 I HN 0.407 nan 8.210 nan 0.000 0.476 425 K N 5.799 125.442 120.400 -1.263 0.000 2.118 425 K HA 0.591 4.910 4.320 -0.000 0.000 0.254 425 K C -1.113 174.436 176.600 -1.752 0.000 0.961 425 K CA -0.646 54.849 56.287 -1.321 0.000 0.876 425 K CB 1.876 33.571 32.500 -1.341 0.000 1.077 425 K HN 0.343 nan 8.250 nan 0.000 0.440 426 Y N -0.231 119.556 120.300 -0.855 0.000 2.609 426 Y HA 0.512 5.062 4.550 -0.001 0.000 0.342 426 Y C 0.029 175.753 175.900 -0.294 0.000 1.058 426 Y CA -0.976 56.752 58.100 -0.620 0.000 1.055 426 Y CB 1.718 39.929 38.460 -0.416 0.000 1.292 426 Y HN 0.259 nan 8.280 nan 0.000 0.476 427 I N 2.956 123.591 120.570 0.108 0.000 2.382 427 I HA 0.420 4.589 4.170 -0.000 0.000 0.285 427 I C -0.796 175.392 176.117 0.118 0.000 1.007 427 I CA -0.164 61.220 61.300 0.141 0.000 1.142 427 I CB 0.880 38.989 38.000 0.182 0.000 1.289 427 I HN 0.523 nan 8.210 nan 0.000 0.453 428 M N 5.352 124.997 119.600 0.075 0.000 2.796 428 M HA 0.543 5.023 4.480 -0.000 0.000 0.303 428 M C -0.509 175.796 176.300 0.008 0.000 1.240 428 M CA -0.924 54.402 55.300 0.043 0.000 0.831 428 M CB 2.196 34.812 32.600 0.026 0.000 1.750 428 M HN 0.279 nan 8.290 nan 0.000 0.484 429 L N 1.061 122.275 121.223 -0.015 0.000 2.473 429 L HA 0.150 4.489 4.340 -0.000 0.000 0.268 429 L C 0.283 177.143 176.870 -0.016 0.000 1.215 429 L CA -0.179 54.647 54.840 -0.023 0.000 0.823 429 L CB 0.126 42.165 42.059 -0.034 0.000 1.099 429 L HN 0.756 nan 8.230 nan 0.000 0.483 430 N N 1.247 119.938 118.700 -0.015 0.000 2.424 430 N HA 0.104 4.844 4.740 -0.000 0.000 0.257 430 N C -2.056 173.451 175.510 -0.005 0.000 1.250 430 N CA -0.967 52.077 53.050 -0.011 0.000 0.946 430 N CB 1.016 39.492 38.487 -0.019 0.000 1.175 430 N HN 0.245 nan 8.380 nan 0.000 0.477 431 P HA -0.187 nan 4.420 nan 0.000 0.217 431 P C 0.885 178.219 177.300 0.057 0.000 1.148 431 P CA 1.286 64.390 63.100 0.006 0.000 0.828 431 P CB -0.013 31.664 31.700 -0.039 0.000 0.783 432 S N -1.512 114.231 115.700 0.071 0.000 2.561 432 S HA -0.006 4.464 4.470 -0.000 0.000 0.225 432 S C 1.004 175.723 174.600 0.198 0.000 0.977 432 S CA 0.025 58.327 58.200 0.170 0.000 0.926 432 S CB -1.217 62.074 63.200 0.152 0.000 0.769 432 S HN 0.209 nan 8.310 nan 0.000 0.533 433 S N 1.020 116.756 115.700 0.060 0.000 2.593 433 S HA 0.317 4.787 4.470 -0.000 0.000 0.269 433 S C 1.043 175.420 174.600 -0.370 0.000 1.334 433 S CA -0.798 57.374 58.200 -0.046 0.000 1.015 433 S CB 1.023 64.195 63.200 -0.047 0.000 0.912 433 S HN 0.461 nan 8.310 nan 0.000 0.541 434 R N 0.638 120.748 120.500 -0.650 0.000 2.075 434 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 434 R C 2.085 177.870 176.300 -0.859 0.000 1.126 434 R CA 1.596 56.863 56.100 -1.388 0.000 0.963 434 R CB -0.562 29.224 30.300 -0.857 0.000 0.858 434 R HN 0.878 nan 8.270 nan 0.000 0.435 435 I N 0.970 121.280 120.570 -0.434 0.000 2.286 435 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 435 I C 1.841 177.809 176.117 -0.248 0.000 1.115 435 I CA 1.358 62.480 61.300 -0.298 0.000 1.392 435 I CB 0.055 37.947 38.000 -0.181 0.000 1.065 435 I HN 0.118 nan 8.210 nan 0.000 0.418 436 K N 0.312 120.580 120.400 -0.220 0.000 2.067 436 K HA 0.057 4.376 4.320 -0.000 0.000 0.203 436 K C 2.015 178.545 176.600 -0.117 0.000 1.048 436 K CA 1.224 57.437 56.287 -0.122 0.000 0.954 436 K CB -0.887 31.578 32.500 -0.057 0.000 0.737 436 K HN 0.411 nan 8.250 nan 0.000 0.444 437 G N 1.534 110.207 108.800 -0.212 0.000 2.446 437 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 437 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 437 G C 1.544 176.334 174.900 -0.184 0.000 1.168 437 G CA 1.045 46.086 45.100 -0.099 0.000 0.771 437 G HN 0.445 nan 8.290 nan 0.000 0.551 438 E N 0.076 119.992 120.200 -0.473 0.000 2.118 438 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 438 E C 2.321 178.886 176.600 -0.058 0.000 0.992 438 E CA 1.384 57.719 56.400 -0.109 0.000 0.804 438 E CB -0.086 29.508 29.700 -0.178 0.000 0.741 438 E HN 0.416 nan 8.360 nan 0.000 0.458 439 K N 0.337 120.679 120.400 -0.097 0.000 2.155 439 K HA -0.139 4.180 4.320 -0.000 0.000 0.203 439 K C 1.685 178.277 176.600 -0.014 0.000 1.052 439 K CA 1.566 57.816 56.287 -0.061 0.000 0.948 439 K CB -0.013 32.447 32.500 -0.066 0.000 0.728 439 K HN 0.057 nan 8.250 nan 0.000 0.448 440 D N -0.766 119.660 120.400 0.044 0.000 2.117 440 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 440 D C 1.385 177.825 176.300 0.234 0.000 0.982 440 D CA 0.800 54.894 54.000 0.156 0.000 0.828 440 D CB -0.129 40.888 40.800 0.360 0.000 0.967 440 D HN 0.317 nan 8.370 nan 0.000 0.464 441 W N 1.600 122.779 121.300 -0.203 0.000 2.363 441 W HA -0.099 4.560 4.660 -0.001 0.000 0.296 441 W C 1.985 178.470 176.519 -0.057 0.000 1.212 441 W CA 1.245 58.360 57.345 -0.383 0.000 1.260 441 W CB -0.764 28.207 29.460 -0.816 0.000 1.131 441 W HN 0.103 nan 8.180 nan 0.000 0.530 442 Q N -0.021 119.774 119.800 -0.008 0.000 2.119 442 Q HA -0.205 4.135 4.340 -0.000 0.000 0.201 442 Q C 2.303 178.288 176.000 -0.025 0.000 0.972 442 Q CA 1.815 57.553 55.803 -0.107 0.000 0.847 442 Q CB -0.362 28.295 28.738 -0.136 0.000 0.903 442 Q HN 0.257 nan 8.270 nan 0.000 0.433 443 K N -0.038 120.339 120.400 -0.038 0.000 2.032 443 K HA -0.202 4.117 4.320 -0.000 0.000 0.209 443 K C 1.587 178.137 176.600 -0.085 0.000 1.048 443 K CA 1.413 57.625 56.287 -0.125 0.000 0.927 443 K CB -0.054 32.286 32.500 -0.267 0.000 0.712 443 K HN 0.175 nan 8.250 nan 0.000 0.441 444 Y N 1.340 121.799 120.300 0.265 0.000 2.263 444 Y HA -0.082 4.468 4.550 0.000 0.000 0.292 444 Y C 2.339 178.441 175.900 0.336 0.000 1.130 444 Y CA 0.891 59.221 58.100 0.384 0.000 1.179 444 Y CB -0.099 38.658 38.460 0.495 0.000 0.998 444 Y HN 0.122 nan 8.280 nan 0.000 0.532 445 E N -0.504 119.904 120.200 0.347 0.000 2.106 445 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 445 E C 2.143 178.786 176.600 0.072 0.000 0.984 445 E CA 1.497 58.005 56.400 0.180 0.000 0.806 445 E CB -0.517 29.206 29.700 0.037 0.000 0.750 445 E HN 0.404 nan 8.360 nan 0.000 0.458 446 T N 1.090 115.674 114.554 0.050 0.000 2.777 446 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 446 T C 1.922 176.628 174.700 0.010 0.000 1.040 446 T CA 1.369 63.467 62.100 -0.004 0.000 1.141 446 T CB -0.154 68.697 68.868 -0.027 0.000 0.868 446 T HN 0.264 nan 8.240 nan 0.000 0.444 447 A N 1.759 124.651 122.820 0.121 0.000 1.933 447 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 447 A C 2.360 180.023 177.584 0.132 0.000 1.175 447 A CA 1.338 53.516 52.037 0.235 0.000 0.628 447 A CB -0.438 18.891 19.000 0.548 0.000 0.814 447 A HN 0.420 nan 8.150 nan 0.000 0.444 448 R N -0.739 119.723 120.500 -0.063 0.000 2.075 448 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 448 R C 2.418 178.591 176.300 -0.212 0.000 1.126 448 R CA 1.356 57.223 56.100 -0.389 0.000 0.963 448 R CB -0.285 29.800 30.300 -0.358 0.000 0.858 448 R HN 0.485 nan 8.270 nan 0.000 0.435 449 R N 0.544 120.967 120.500 -0.130 0.000 2.096 449 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 449 R C 2.290 178.492 176.300 -0.164 0.000 1.127 449 R CA 1.054 57.080 56.100 -0.123 0.000 0.968 449 R CB -0.505 29.738 30.300 -0.094 0.000 0.861 449 R HN 0.125 nan 8.270 nan 0.000 0.440 450 L N 1.892 122.991 121.223 -0.207 0.000 2.127 450 L HA -0.178 4.161 4.340 -0.000 0.000 0.211 450 L C 2.180 178.799 176.870 -0.420 0.000 1.089 450 L CA 1.810 56.449 54.840 -0.334 0.000 0.757 450 L CB -0.436 41.347 42.059 -0.460 0.000 0.899 450 L HN 0.006 nan 8.230 nan 0.000 0.434 451 K N 0.544 120.736 120.400 -0.347 0.000 2.063 451 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 451 K C 1.874 178.394 176.600 -0.133 0.000 1.048 451 K CA 2.015 58.171 56.287 -0.218 0.000 0.928 451 K CB -0.180 32.334 32.500 0.023 0.000 0.713 451 K HN 0.604 nan 8.250 nan 0.000 0.442 452 K N -0.059 120.266 120.400 -0.124 0.000 2.525 452 K HA -0.041 4.279 4.320 -0.000 0.000 0.192 452 K C 1.116 177.665 176.600 -0.086 0.000 1.029 452 K CA 0.970 57.206 56.287 -0.085 0.000 1.029 452 K CB -0.088 32.365 32.500 -0.077 0.000 0.814 452 K HN 0.366 nan 8.250 nan 0.000 0.503 453 C N -3.178 116.051 119.300 -0.118 0.000 3.722 453 C HA 0.318 4.778 4.460 -0.000 0.000 0.279 453 C C 1.659 176.590 174.990 -0.098 0.000 1.819 453 C CA -0.672 58.288 59.018 -0.098 0.000 1.744 453 C CB -0.460 27.222 27.740 -0.095 0.000 3.247 453 C HN 0.214 nan 8.230 nan 0.000 0.549 454 V N 1.905 121.741 119.914 -0.129 0.000 2.427 454 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 454 V C 2.353 178.441 176.094 -0.011 0.000 1.051 454 V CA 2.990 65.239 62.300 -0.084 0.000 1.048 454 V CB -0.246 31.464 31.823 -0.188 0.000 0.666 454 V HN 0.649 nan 8.190 nan 0.000 0.456 455 D N -0.111 120.277 120.400 -0.021 0.000 2.178 455 D HA -0.198 4.442 4.640 -0.000 0.000 0.202 455 D C 2.192 178.449 176.300 -0.072 0.000 0.974 455 D CA 1.537 55.519 54.000 -0.029 0.000 0.841 455 D CB -0.194 40.599 40.800 -0.012 0.000 0.953 455 D HN 0.551 nan 8.370 nan 0.000 0.478 456 K N 0.124 120.486 120.400 -0.063 0.000 2.057 456 K HA -0.093 4.226 4.320 -0.000 0.000 0.206 456 K C 2.144 178.692 176.600 -0.086 0.000 1.050 456 K CA 1.000 57.244 56.287 -0.071 0.000 0.935 456 K CB -0.161 32.305 32.500 -0.056 0.000 0.715 456 K HN 0.180 nan 8.250 nan 0.000 0.439 457 I N 0.749 121.286 120.570 -0.056 0.000 2.353 457 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 457 I C 2.525 178.537 176.117 -0.175 0.000 1.119 457 I CA 0.983 62.275 61.300 -0.013 0.000 1.417 457 I CB -0.183 37.891 38.000 0.124 0.000 1.078 457 I HN 0.164 nan 8.210 nan 0.000 0.421 458 R N 0.856 121.184 120.500 -0.286 0.000 2.073 458 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 458 R C 2.032 177.850 176.300 -0.803 0.000 1.134 458 R CA 1.851 57.485 56.100 -0.777 0.000 0.952 458 R CB -0.519 29.584 30.300 -0.328 0.000 0.850 458 R HN 0.486 nan 8.270 nan 0.000 0.433 459 N N 0.348 118.805 118.700 -0.406 0.000 2.166 459 N HA -0.225 4.515 4.740 -0.000 0.000 0.186 459 N C 1.920 177.231 175.510 -0.331 0.000 1.019 459 N CA 0.865 53.723 53.050 -0.320 0.000 0.856 459 N CB -0.021 38.358 38.487 -0.180 0.000 0.993 459 N HN 0.291 nan 8.380 nan 0.000 0.426 460 Q N 0.500 120.138 119.800 -0.270 0.000 2.046 460 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 460 Q C 1.912 177.805 176.000 -0.178 0.000 0.975 460 Q CA 1.461 57.164 55.803 -0.166 0.000 0.836 460 Q CB -0.079 28.624 28.738 -0.058 0.000 0.896 460 Q HN 0.644 nan 8.270 nan 0.000 0.428 461 Y N -0.802 119.369 120.300 -0.216 0.000 2.439 461 Y HA 0.066 4.616 4.550 0.001 0.000 0.292 461 Y C 1.747 177.133 175.900 -0.857 0.000 1.130 461 Y CA 0.668 58.566 58.100 -0.337 0.000 1.254 461 Y CB -0.505 37.849 38.460 -0.178 0.000 1.000 461 Y HN -0.035 nan 8.280 nan 0.000 0.554 462 R N 0.855 120.801 120.500 -0.924 0.000 2.075 462 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 462 R C 1.980 177.865 176.300 -0.692 0.000 1.126 462 R CA 1.820 57.117 56.100 -1.337 0.000 0.963 462 R CB -0.240 29.549 30.300 -0.851 0.000 0.858 462 R HN 0.562 nan 8.270 nan 0.000 0.435 463 E N 0.374 120.344 120.200 -0.383 0.000 2.107 463 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 463 E C 1.272 177.814 176.600 -0.096 0.000 0.982 463 E CA 0.929 57.227 56.400 -0.170 0.000 0.809 463 E CB 0.003 29.629 29.700 -0.123 0.000 0.756 463 E HN 0.259 nan 8.360 nan 0.000 0.459 464 D N -0.072 120.252 120.400 -0.128 0.000 2.309 464 D HA -0.142 4.497 4.640 -0.000 0.000 0.212 464 D C 1.103 177.477 176.300 0.124 0.000 0.968 464 D CA 0.550 54.541 54.000 -0.014 0.000 0.882 464 D CB -0.157 40.641 40.800 -0.005 0.000 0.918 464 D HN 0.315 nan 8.370 nan 0.000 0.503 465 W N 1.047 122.368 121.300 0.034 0.000 2.611 465 W HA 0.015 4.674 4.660 -0.001 0.000 0.251 465 W C 1.532 178.052 176.519 0.001 0.000 1.265 465 W CA 0.393 57.745 57.345 0.012 0.000 1.295 465 W CB -0.370 29.077 29.460 -0.022 0.000 1.129 465 W HN 0.129 nan 8.180 nan 0.000 0.630 466 K N 0.086 120.605 120.400 0.198 0.000 2.353 466 K HA 0.043 4.363 4.320 -0.000 0.000 0.195 466 K C 1.228 177.873 176.600 0.075 0.000 1.031 466 K CA 0.212 56.566 56.287 0.112 0.000 1.079 466 K CB 0.298 32.843 32.500 0.076 0.000 0.857 466 K HN -0.133 nan 8.250 nan 0.000 0.535 467 S N 1.086 116.830 115.700 0.074 0.000 2.560 467 S HA -0.015 4.454 4.470 -0.000 0.000 0.276 467 S C 0.903 175.532 174.600 0.047 0.000 1.350 467 S CA -0.060 58.169 58.200 0.048 0.000 1.024 467 S CB 0.941 64.163 63.200 0.037 0.000 0.864 467 S HN 0.122 nan 8.310 nan 0.000 0.536 468 K N 0.428 120.846 120.400 0.031 0.000 2.211 468 K HA 0.012 4.332 4.320 -0.000 0.000 0.203 468 K C 0.815 177.433 176.600 0.030 0.000 1.050 468 K CA 1.006 57.310 56.287 0.028 0.000 0.945 468 K CB -0.011 32.499 32.500 0.017 0.000 0.732 468 K HN 0.744 nan 8.250 nan 0.000 0.451 469 E N 0.624 120.839 120.200 0.026 0.000 2.227 469 E HA 0.035 4.385 4.350 -0.000 0.000 0.282 469 E C 0.548 177.170 176.600 0.037 0.000 1.015 469 E CA -0.307 56.105 56.400 0.021 0.000 0.823 469 E CB 1.112 30.812 29.700 0.001 0.000 1.081 469 E HN -0.028 nan 8.360 nan 0.000 0.396 470 M N 4.775 124.399 119.600 0.041 0.000 2.086 470 M HA -0.173 4.307 4.480 -0.000 0.000 0.261 470 M C 1.421 177.724 176.300 0.006 0.000 1.067 470 M CA 1.912 57.252 55.300 0.066 0.000 1.116 470 M CB 0.083 32.718 32.600 0.057 0.000 1.348 470 M HN 0.428 nan 8.290 nan 0.000 0.407 471 K N -0.830 119.549 120.400 -0.035 0.000 2.113 471 K HA -0.162 4.157 4.320 -0.000 0.000 0.208 471 K C 1.747 178.292 176.600 -0.092 0.000 1.047 471 K CA 1.755 57.994 56.287 -0.080 0.000 0.928 471 K CB -0.651 31.806 32.500 -0.071 0.000 0.716 471 K HN 0.288 nan 8.250 nan 0.000 0.446 472 V N 1.317 121.197 119.914 -0.057 0.000 2.427 472 V HA -0.186 3.933 4.120 -0.000 0.000 0.248 472 V C 2.230 178.325 176.094 0.001 0.000 1.051 472 V CA 1.507 63.769 62.300 -0.064 0.000 1.048 472 V CB -0.486 31.312 31.823 -0.041 0.000 0.666 472 V HN 0.271 nan 8.190 nan 0.000 0.456 473 R N -0.323 120.226 120.500 0.082 0.000 2.075 473 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 473 R C 2.439 178.872 176.300 0.221 0.000 1.126 473 R CA 1.383 57.620 56.100 0.229 0.000 0.963 473 R CB -0.279 30.223 30.300 0.337 0.000 0.858 473 R HN 0.592 nan 8.270 nan 0.000 0.435 474 Q N 0.018 119.807 119.800 -0.018 0.000 2.084 474 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 474 Q C 2.193 177.989 176.000 -0.340 0.000 0.978 474 Q CA 1.223 56.850 55.803 -0.294 0.000 0.844 474 Q CB -0.112 28.351 28.738 -0.459 0.000 0.898 474 Q HN 0.242 nan 8.270 nan 0.000 0.426 475 R N 0.307 120.660 120.500 -0.245 0.000 2.081 475 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 475 R C 2.121 178.306 176.300 -0.191 0.000 1.131 475 R CA 1.210 57.156 56.100 -0.257 0.000 0.960 475 R CB -0.164 29.994 30.300 -0.237 0.000 0.856 475 R HN 0.226 nan 8.270 nan 0.000 0.436 476 A N 0.019 122.808 122.820 -0.052 0.000 1.930 476 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 476 A C 2.199 179.870 177.584 0.145 0.000 1.175 476 A CA 1.303 53.384 52.037 0.074 0.000 0.627 476 A CB -0.343 18.790 19.000 0.223 0.000 0.815 476 A HN 0.216 nan 8.150 nan 0.000 0.443 477 V N -0.154 119.821 119.914 0.101 0.000 2.358 477 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 477 V C 3.056 178.847 176.094 -0.506 0.000 1.047 477 V CA 1.773 64.004 62.300 -0.115 0.000 1.035 477 V CB -1.185 30.630 31.823 -0.014 0.000 0.658 477 V HN 0.599 nan 8.190 nan 0.000 0.452 478 A N -0.185 122.238 122.820 -0.661 0.000 1.883 478 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 478 A C 2.240 179.574 177.584 -0.416 0.000 1.186 478 A CA 1.937 53.540 52.037 -0.724 0.000 0.624 478 A CB -0.642 17.850 19.000 -0.847 0.000 0.822 478 A HN 0.482 nan 8.150 nan 0.000 0.444 479 L N -2.034 118.948 121.223 -0.401 0.000 2.042 479 L HA -0.240 4.099 4.340 -0.000 0.000 0.210 479 L C 2.605 179.142 176.870 -0.554 0.000 1.076 479 L CA 1.951 56.500 54.840 -0.485 0.000 0.749 479 L CB -0.579 41.174 42.059 -0.511 0.000 0.893 479 L HN 0.636 nan 8.230 nan 0.000 0.432 480 Y N -0.089 119.837 120.300 -0.622 0.000 2.181 480 Y HA -0.300 4.249 4.550 -0.001 0.000 0.288 480 Y C 2.290 178.229 175.900 0.065 0.000 1.146 480 Y CA 1.440 59.370 58.100 -0.283 0.000 1.164 480 Y CB -0.274 38.245 38.460 0.098 0.000 0.982 480 Y HN -0.001 nan 8.280 nan 0.000 0.515 481 F N -0.009 119.876 119.950 -0.109 0.000 2.113 481 F HA -0.181 4.344 4.527 -0.002 0.000 0.297 481 F C 2.450 178.106 175.800 -0.240 0.000 1.103 481 F CA 0.984 58.879 58.000 -0.176 0.000 1.248 481 F CB -1.350 37.637 39.000 -0.021 0.000 0.999 481 F HN 0.068 nan 8.300 nan 0.000 0.475 482 I N -0.112 120.428 120.570 -0.050 0.000 2.286 482 I HA -0.296 3.873 4.170 -0.000 0.000 0.248 482 I C 2.183 178.198 176.117 -0.170 0.000 1.115 482 I CA 1.857 63.070 61.300 -0.145 0.000 1.392 482 I CB -0.377 37.477 38.000 -0.243 0.000 1.065 482 I HN 0.085 nan 8.210 nan 0.000 0.418 483 D N 0.854 121.101 120.400 -0.256 0.000 2.110 483 D HA -0.184 4.456 4.640 -0.000 0.000 0.202 483 D C 2.198 178.515 176.300 0.029 0.000 0.975 483 D CA 1.334 55.277 54.000 -0.096 0.000 0.839 483 D CB 0.041 40.797 40.800 -0.073 0.000 0.996 483 D HN 0.041 nan 8.370 nan 0.000 0.464 484 K N -0.301 120.055 120.400 -0.074 0.000 2.031 484 K HA 0.010 4.329 4.320 -0.000 0.000 0.205 484 K C 1.815 178.372 176.600 -0.072 0.000 1.049 484 K CA 0.850 57.084 56.287 -0.089 0.000 0.939 484 K CB -0.019 32.286 32.500 -0.326 0.000 0.717 484 K HN 0.207 nan 8.250 nan 0.000 0.438 485 L N 0.373 121.525 121.223 -0.118 0.000 2.607 485 L HA 0.247 4.586 4.340 -0.000 0.000 0.228 485 L C 0.584 177.400 176.870 -0.090 0.000 1.123 485 L CA 0.217 54.989 54.840 -0.112 0.000 0.890 485 L CB 0.239 42.154 42.059 -0.240 0.000 1.103 485 L HN 0.266 nan 8.230 nan 0.000 0.468 486 A N 0.762 123.550 122.820 -0.053 0.000 2.783 486 A HA -0.217 4.102 4.320 -0.000 0.000 0.292 486 A C 0.445 177.989 177.584 -0.067 0.000 1.495 486 A CA 0.566 52.592 52.037 -0.019 0.000 0.787 486 A CB -2.372 16.630 19.000 0.003 0.000 1.017 486 A HN 0.371 nan 8.150 nan 0.000 0.516 487 L N -0.580 120.569 121.223 -0.122 0.000 2.452 487 L HA 0.279 4.619 4.340 -0.000 0.000 0.267 487 L C 1.427 178.260 176.870 -0.062 0.000 1.188 487 L CA -0.315 54.432 54.840 -0.155 0.000 0.821 487 L CB 0.336 42.275 42.059 -0.199 0.000 1.102 487 L HN 0.490 nan 8.230 nan 0.000 0.470 488 R N 1.078 121.553 120.500 -0.043 0.000 2.560 488 R HA 0.371 4.711 4.340 -0.000 0.000 0.270 488 R C -0.084 176.212 176.300 -0.006 0.000 1.074 488 R CA -0.597 55.503 56.100 -0.001 0.000 1.140 488 R CB 0.641 30.952 30.300 0.020 0.000 1.073 488 R HN 0.716 nan 8.270 nan 0.000 0.527 489 A N 1.822 124.647 122.820 0.008 0.000 2.906 489 A HA 0.178 4.498 4.320 -0.000 0.000 0.289 489 A C 0.775 178.359 177.584 0.000 0.000 1.675 489 A CA -0.210 51.827 52.037 -0.000 0.000 1.372 489 A CB -0.628 18.380 19.000 0.012 0.000 1.091 489 A HN 0.836 nan 8.150 nan 0.000 0.579 490 G N 2.750 111.545 108.800 -0.008 0.000 2.515 490 G HA2 -0.026 3.933 3.960 -0.000 0.000 0.290 490 G HA3 -0.026 3.933 3.960 -0.000 0.000 0.290 490 G C 0.109 175.010 174.900 0.001 0.000 0.795 490 G CA -0.298 44.798 45.100 -0.006 0.000 1.866 490 G HN 0.735 nan 8.290 nan 0.000 0.476 491 N N 2.139 120.843 118.700 0.006 0.000 2.492 491 N HA 0.030 4.770 4.740 -0.000 0.000 0.262 491 N C 0.875 176.390 175.510 0.007 0.000 1.202 491 N CA -0.062 52.992 53.050 0.007 0.000 0.926 491 N CB 1.021 39.514 38.487 0.009 0.000 1.078 491 N HN 0.628 nan 8.380 nan 0.000 0.454 492 E N 2.130 122.334 120.200 0.006 0.000 2.418 492 E HA 0.024 4.374 4.350 -0.000 0.000 0.261 492 E C -0.053 176.551 176.600 0.006 0.000 1.070 492 E CA 0.189 56.593 56.400 0.007 0.000 0.931 492 E CB 0.739 30.442 29.700 0.005 0.000 0.954 492 E HN 0.467 nan 8.360 nan 0.000 0.439 493 K N 1.142 121.546 120.400 0.005 0.000 2.482 493 K HA 0.395 4.715 4.320 -0.000 0.000 0.257 493 K C -0.701 175.898 176.600 -0.002 0.000 0.969 493 K CA -0.860 55.429 56.287 0.002 0.000 0.842 493 K CB 1.409 33.911 32.500 0.003 0.000 1.359 493 K HN 0.397 nan 8.250 nan 0.000 0.441 494 E N 2.135 122.331 120.200 -0.006 0.000 2.351 494 E HA -0.021 4.329 4.350 -0.000 0.000 0.266 494 E C -0.439 176.153 176.600 -0.012 0.000 1.031 494 E CA -0.017 56.378 56.400 -0.008 0.000 0.911 494 E CB 0.615 30.309 29.700 -0.010 0.000 0.986 494 E HN 0.467 nan 8.360 nan 0.000 0.446 495 E N 2.082 122.277 120.200 -0.008 0.000 2.384 495 E HA 0.217 4.567 4.350 -0.000 0.000 0.266 495 E C 0.708 177.301 176.600 -0.011 0.000 1.012 495 E CA -0.017 56.378 56.400 -0.008 0.000 0.901 495 E CB 0.648 30.348 29.700 -0.000 0.000 0.967 495 E HN 0.684 nan 8.360 nan 0.000 0.435 496 G N 2.703 111.492 108.800 -0.018 0.000 2.159 496 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.256 496 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.256 496 G C 0.576 175.463 174.900 -0.023 0.000 0.977 496 G CA 0.348 45.440 45.100 -0.014 0.000 0.652 496 G HN 0.590 nan 8.290 nan 0.000 0.531 497 E N -0.511 119.664 120.200 -0.042 0.000 2.453 497 E HA 0.158 4.508 4.350 -0.000 0.000 0.211 497 E C 1.240 177.786 176.600 -0.091 0.000 0.897 497 E CA 1.414 57.793 56.400 -0.034 0.000 1.063 497 E CB 0.900 30.588 29.700 -0.019 0.000 1.080 497 E HN 0.831 nan 8.360 nan 0.000 0.512 498 T N -2.073 112.371 114.554 -0.182 0.000 2.865 498 T HA 0.741 5.091 4.350 -0.000 0.000 0.294 498 T C -0.126 174.364 174.700 -0.350 0.000 1.119 498 T CA -0.732 61.165 62.100 -0.339 0.000 1.007 498 T CB 2.172 70.983 68.868 -0.095 0.000 1.225 498 T HN 0.014 nan 8.240 nan 0.000 0.515 499 A N 0.841 123.447 122.820 -0.356 0.000 2.445 499 A HA 0.415 4.735 4.320 -0.000 0.000 0.242 499 A C 0.274 177.830 177.584 -0.048 0.000 1.075 499 A CA -0.258 51.692 52.037 -0.145 0.000 0.777 499 A CB -0.391 18.593 19.000 -0.028 0.000 1.013 499 A HN 0.873 nan 8.150 nan 0.000 0.493 500 D N 1.592 121.990 120.400 -0.005 0.000 2.359 500 D HA 0.360 4.999 4.640 -0.000 0.000 0.250 500 D C 0.322 176.657 176.300 0.058 0.000 1.264 500 D CA 0.712 54.731 54.000 0.032 0.000 0.911 500 D CB -0.034 40.799 40.800 0.054 0.000 1.056 500 D HN 0.632 nan 8.370 nan 0.000 0.499 501 T N -0.014 114.570 114.554 0.050 0.000 2.901 501 T HA 0.746 5.095 4.350 -0.000 0.000 0.293 501 T C -0.092 174.628 174.700 0.034 0.000 1.084 501 T CA -0.792 61.347 62.100 0.064 0.000 1.008 501 T CB 1.519 70.430 68.868 0.071 0.000 1.170 501 T HN 0.211 nan 8.240 nan 0.000 0.509 502 V N -2.025 117.897 119.914 0.013 0.000 3.159 502 V HA 1.041 5.161 4.120 -0.000 0.000 0.308 502 V C 0.101 176.133 176.094 -0.102 0.000 1.190 502 V CA -0.405 61.843 62.300 -0.086 0.000 1.037 502 V CB 1.353 33.028 31.823 -0.248 0.000 1.060 502 V HN 1.397 nan 8.190 nan 0.000 0.437 503 G N -1.353 107.371 108.800 -0.127 0.000 3.262 503 G HA2 0.442 4.402 3.960 -0.000 0.000 0.229 503 G HA3 0.442 4.402 3.960 -0.000 0.000 0.229 503 G C 0.653 175.465 174.900 -0.147 0.000 1.280 503 G CA 0.178 45.216 45.100 -0.102 0.000 0.951 503 G HN 1.197 nan 8.290 nan 0.000 0.589 504 C N -0.680 118.587 119.300 -0.055 0.000 2.442 504 C HA -0.085 4.375 4.460 -0.000 0.000 0.279 504 C C 2.940 178.019 174.990 0.148 0.000 1.237 504 C CA 1.698 60.747 59.018 0.051 0.000 1.722 504 C CB -1.071 26.691 27.740 0.037 0.000 2.056 504 C HN 0.566 nan 8.230 nan 0.000 0.469 505 C N 1.815 121.148 119.300 0.054 0.000 2.485 505 C HA 0.070 4.530 4.460 -0.000 0.000 0.283 505 C C 2.264 177.326 174.990 0.119 0.000 1.478 505 C CA 1.172 60.236 59.018 0.076 0.000 1.741 505 C CB -1.987 25.743 27.740 -0.018 0.000 1.675 505 C HN 0.880 nan 8.230 nan 0.000 0.573 506 S N -1.214 114.530 115.700 0.073 0.000 2.749 506 S HA 0.345 4.815 4.470 -0.000 0.000 0.246 506 S C 0.013 174.630 174.600 0.027 0.000 1.023 506 S CA -0.308 57.916 58.200 0.041 0.000 1.012 506 S CB -0.342 62.864 63.200 0.009 0.000 0.942 506 S HN 0.505 nan 8.310 nan 0.000 0.531 507 L N 2.451 123.696 121.223 0.036 0.000 2.485 507 L HA 0.303 4.643 4.340 -0.000 0.000 0.275 507 L C 0.820 177.719 176.870 0.048 0.000 1.207 507 L CA 0.009 54.858 54.840 0.016 0.000 0.855 507 L CB 0.439 42.498 42.059 -0.001 0.000 1.114 507 L HN 0.241 nan 8.230 nan 0.000 0.485 508 R N 1.560 122.156 120.500 0.159 0.000 2.758 508 R HA 0.281 4.621 4.340 -0.000 0.000 0.265 508 R C 0.995 177.185 176.300 -0.185 0.000 1.016 508 R CA -0.907 55.130 56.100 -0.106 0.000 1.040 508 R CB 1.485 31.628 30.300 -0.263 0.000 1.152 508 R HN 0.377 nan 8.270 nan 0.000 0.503 509 V N 1.647 121.449 119.914 -0.186 0.000 2.324 509 V HA -0.312 3.808 4.120 -0.000 0.000 0.250 509 V C 2.178 178.163 176.094 -0.181 0.000 1.060 509 V CA 2.394 64.591 62.300 -0.171 0.000 1.042 509 V CB -0.805 30.936 31.823 -0.137 0.000 0.650 509 V HN 0.881 nan 8.190 nan 0.000 0.450 510 E N -0.271 119.783 120.200 -0.243 0.000 2.401 510 E HA -0.252 4.097 4.350 -0.000 0.000 0.199 510 E C 1.624 178.122 176.600 -0.170 0.000 1.023 510 E CA 1.623 57.888 56.400 -0.224 0.000 0.859 510 E CB -0.496 29.048 29.700 -0.260 0.000 0.780 510 E HN 0.813 nan 8.360 nan 0.000 0.523 511 H N 0.772 119.834 119.070 -0.013 0.000 2.548 511 H HA 0.242 4.798 4.556 -0.000 0.000 0.265 511 H C 0.679 176.023 175.328 0.026 0.000 0.969 511 H CA 0.317 56.402 56.048 0.061 0.000 1.155 511 H CB 0.141 29.920 29.762 0.028 0.000 1.394 511 H HN 0.311 nan 8.280 nan 0.000 0.570 512 I N -2.382 118.169 120.570 -0.031 0.000 2.730 512 I HA 0.464 4.633 4.170 -0.000 0.000 0.298 512 I C -1.251 174.732 176.117 -0.224 0.000 1.089 512 I CA -1.194 59.971 61.300 -0.224 0.000 1.041 512 I CB 2.561 40.308 38.000 -0.421 0.000 1.235 512 I HN -0.177 nan 8.210 nan 0.000 0.423 513 N N 5.561 124.090 118.700 -0.284 0.000 2.410 513 N HA 0.521 5.261 4.740 -0.000 0.000 0.287 513 N C -1.320 173.915 175.510 -0.460 0.000 1.044 513 N CA -0.413 52.443 53.050 -0.324 0.000 0.881 513 N CB 2.794 41.121 38.487 -0.267 0.000 1.405 513 N HN 0.593 nan 8.380 nan 0.000 0.490 514 L N 2.347 123.317 121.223 -0.423 0.000 2.292 514 L HA 0.387 4.727 4.340 -0.000 0.000 0.284 514 L C -0.146 176.631 176.870 -0.155 0.000 1.065 514 L CA -0.349 54.304 54.840 -0.311 0.000 0.806 514 L CB 0.426 42.211 42.059 -0.457 0.000 1.175 514 L HN 0.425 nan 8.230 nan 0.000 0.431 515 H N 3.177 122.474 119.070 0.380 0.000 2.906 515 H HA 0.191 4.747 4.556 0.000 0.000 0.324 515 H C -1.917 173.495 175.328 0.139 0.000 0.973 515 H CA -1.576 54.616 56.048 0.239 0.000 1.321 515 H CB 1.929 31.756 29.762 0.109 0.000 1.535 515 H HN 0.360 nan 8.280 nan 0.000 0.518 516 P HA -0.175 nan 4.420 nan 0.000 0.219 516 P C -0.203 176.880 177.300 -0.362 0.000 1.146 516 P CA 1.289 64.221 63.100 -0.281 0.000 0.808 516 P CB 0.568 32.203 31.700 -0.108 0.000 0.779 517 E N -1.032 119.078 120.200 -0.150 0.000 2.321 517 E HA 0.448 4.797 4.350 -0.000 0.000 0.281 517 E C -2.032 174.513 176.600 -0.092 0.000 0.910 517 E CA -0.638 55.668 56.400 -0.155 0.000 0.770 517 E CB 1.135 30.740 29.700 -0.158 0.000 1.225 517 E HN -0.260 nan 8.360 nan 0.000 0.417 518 L N 4.226 125.402 121.223 -0.079 0.000 2.588 518 L HA 0.303 4.643 4.340 -0.000 0.000 0.263 518 L C -1.073 175.769 176.870 -0.047 0.000 0.935 518 L CA -0.005 54.788 54.840 -0.080 0.000 0.891 518 L CB 1.628 43.651 42.059 -0.059 0.000 1.318 518 L HN 0.883 nan 8.230 nan 0.000 0.409 519 D N 3.616 123.987 120.400 -0.048 0.000 2.945 519 D HA -0.189 4.451 4.640 -0.000 0.000 0.225 519 D C 1.130 177.413 176.300 -0.028 0.000 1.158 519 D CA 1.618 55.600 54.000 -0.028 0.000 0.805 519 D CB -0.686 40.109 40.800 -0.008 0.000 1.098 519 D HN 1.200 nan 8.370 nan 0.000 0.426 520 G N -0.428 108.346 108.800 -0.043 0.000 2.159 520 G HA2 -0.347 3.612 3.960 -0.000 0.000 0.256 520 G HA3 -0.347 3.612 3.960 -0.000 0.000 0.256 520 G C 0.163 175.034 174.900 -0.047 0.000 0.977 520 G CA 0.675 45.748 45.100 -0.044 0.000 0.652 520 G HN 0.491 nan 8.290 nan 0.000 0.531 521 Q N 0.260 120.033 119.800 -0.046 0.000 2.245 521 Q HA 0.568 4.908 4.340 -0.000 0.000 0.256 521 Q C -0.566 175.375 176.000 -0.099 0.000 0.942 521 Q CA -0.640 55.139 55.803 -0.040 0.000 0.896 521 Q CB 1.019 29.758 28.738 0.001 0.000 1.272 521 Q HN 0.473 nan 8.270 nan 0.000 0.442 522 E N 0.980 121.101 120.200 -0.131 0.000 2.231 522 E HA 0.238 4.588 4.350 -0.000 0.000 0.277 522 E C -1.227 175.214 176.600 -0.264 0.000 0.999 522 E CA -0.713 55.485 56.400 -0.336 0.000 0.827 522 E CB 0.370 29.836 29.700 -0.390 0.000 1.101 522 E HN 0.465 nan 8.360 nan 0.000 0.393 523 Y N -0.493 119.623 120.300 -0.307 0.000 3.001 523 Y HA -0.210 4.340 4.550 -0.001 0.000 0.187 523 Y C -0.482 175.425 175.900 0.012 0.000 1.462 523 Y CA -0.381 57.415 58.100 -0.506 0.000 0.936 523 Y CB -1.614 36.587 38.460 -0.432 0.000 1.337 523 Y HN 0.268 nan 8.280 nan 0.000 0.428 524 V N 1.881 121.916 119.914 0.202 0.000 2.465 524 V HA 0.411 4.531 4.120 -0.000 0.000 0.279 524 V C 0.351 176.642 176.094 0.327 0.000 1.045 524 V CA -0.854 61.603 62.300 0.261 0.000 0.938 524 V CB 1.685 33.621 31.823 0.188 0.000 0.986 524 V HN 0.157 nan 8.190 nan 0.000 0.467 525 V N 4.652 124.689 119.914 0.206 0.000 2.398 525 V HA 0.362 4.482 4.120 -0.000 0.000 0.286 525 V C 0.140 176.157 176.094 -0.128 0.000 1.026 525 V CA -0.570 61.713 62.300 -0.028 0.000 0.868 525 V CB 1.590 33.345 31.823 -0.114 0.000 0.982 525 V HN 0.937 nan 8.190 nan 0.000 0.443 526 E N 4.404 124.464 120.200 -0.233 0.000 2.035 526 E HA 0.383 4.733 4.350 -0.000 0.000 0.271 526 E C -1.326 175.110 176.600 -0.273 0.000 0.953 526 E CA -0.516 55.765 56.400 -0.197 0.000 0.777 526 E CB 0.541 30.198 29.700 -0.072 0.000 1.104 526 E HN 0.544 nan 8.360 nan 0.000 0.408 527 F N 2.985 122.856 119.950 -0.131 0.000 2.420 527 F HA 0.244 4.770 4.527 -0.002 0.000 0.352 527 F C 0.477 176.267 175.800 -0.017 0.000 1.108 527 F CA -0.212 57.822 58.000 0.058 0.000 1.162 527 F CB 0.998 40.151 39.000 0.256 0.000 1.118 527 F HN 0.320 nan 8.300 nan 0.000 0.510 528 D N 5.252 125.882 120.400 0.382 0.000 2.478 528 D HA 0.380 5.019 4.640 -0.000 0.000 0.240 528 D C -1.304 175.261 176.300 0.441 0.000 1.364 528 D CA -0.163 54.023 54.000 0.310 0.000 0.987 528 D CB 0.890 41.884 40.800 0.323 0.000 1.328 528 D HN 0.272 nan 8.370 nan 0.000 0.584 529 F N 0.848 120.917 119.950 0.197 0.000 2.807 529 F HA 0.491 5.019 4.527 0.001 0.000 0.316 529 F C -2.057 173.772 175.800 0.047 0.000 1.162 529 F CA -1.257 56.767 58.000 0.041 0.000 0.910 529 F CB 0.884 39.705 39.000 -0.299 0.000 1.314 529 F HN 0.006 nan 8.300 nan 0.000 0.454 530 L N 2.441 123.799 121.223 0.225 0.000 2.265 530 L HA 0.659 4.999 4.340 -0.000 0.000 0.288 530 L C 0.671 177.686 176.870 0.242 0.000 1.058 530 L CA -0.292 54.634 54.840 0.142 0.000 0.809 530 L CB 0.786 42.918 42.059 0.120 0.000 1.179 530 L HN 1.028 nan 8.230 nan 0.000 0.429 531 G N 2.772 111.665 108.800 0.155 0.000 2.695 531 G HA2 0.190 4.150 3.960 -0.000 0.000 0.213 531 G HA3 0.190 4.150 3.960 -0.000 0.000 0.213 531 G C -0.425 174.546 174.900 0.119 0.000 1.406 531 G CA -0.616 44.602 45.100 0.196 0.000 1.049 531 G HN 0.560 nan 8.290 nan 0.000 0.573 532 K N 0.150 120.611 120.400 0.101 0.000 2.485 532 K HA 0.046 4.366 4.320 -0.000 0.000 0.277 532 K C -0.268 176.377 176.600 0.074 0.000 0.990 532 K CA 0.646 56.982 56.287 0.082 0.000 0.994 532 K CB 0.142 32.690 32.500 0.081 0.000 0.906 532 K HN 0.439 nan 8.250 nan 0.000 0.488 533 D N 1.901 122.340 120.400 0.066 0.000 3.012 533 D HA -0.182 4.458 4.640 -0.000 0.000 0.222 533 D C -0.499 175.832 176.300 0.052 0.000 1.167 533 D CA 1.476 55.508 54.000 0.054 0.000 0.854 533 D CB -1.501 39.323 40.800 0.040 0.000 1.107 533 D HN 0.698 nan 8.370 nan 0.000 0.421 534 S N -1.788 113.950 115.700 0.062 0.000 3.561 534 S HA -0.263 4.206 4.470 -0.000 0.000 0.318 534 S C 0.582 175.212 174.600 0.050 0.000 1.181 534 S CA 0.752 58.988 58.200 0.061 0.000 0.916 534 S CB -1.367 61.866 63.200 0.055 0.000 0.966 534 S HN 0.574 nan 8.310 nan 0.000 0.550 535 I N 1.712 122.312 120.570 0.050 0.000 2.396 535 I HA 0.167 4.336 4.170 -0.000 0.000 0.289 535 I C 0.944 177.073 176.117 0.020 0.000 1.056 535 I CA -0.169 61.154 61.300 0.039 0.000 1.365 535 I CB 0.610 38.642 38.000 0.054 0.000 1.407 535 I HN 0.176 nan 8.210 nan 0.000 0.509 536 R N 6.189 126.692 120.500 0.004 0.000 2.449 536 R HA 0.052 4.392 4.340 -0.000 0.000 0.296 536 R C -1.248 175.011 176.300 -0.068 0.000 1.047 536 R CA -0.098 55.986 56.100 -0.027 0.000 1.018 536 R CB 0.371 30.669 30.300 -0.004 0.000 0.962 536 R HN 0.523 nan 8.270 nan 0.000 0.428 537 Y N 5.506 125.573 120.300 -0.388 0.000 2.342 537 Y HA 0.242 4.792 4.550 -0.000 0.000 0.338 537 Y C -1.697 174.002 175.900 -0.334 0.000 0.965 537 Y CA -0.745 57.063 58.100 -0.487 0.000 1.159 537 Y CB 0.748 38.631 38.460 -0.962 0.000 1.157 537 Y HN 0.616 nan 8.280 nan 0.000 0.486 538 Y N 6.830 126.786 120.300 -0.573 0.000 2.338 538 Y HA 0.543 5.093 4.550 -0.001 0.000 0.333 538 Y C -1.535 174.099 175.900 -0.443 0.000 0.968 538 Y CA -0.756 57.141 58.100 -0.338 0.000 1.123 538 Y CB 1.004 39.359 38.460 -0.175 0.000 1.165 538 Y HN 0.746 nan 8.280 nan 0.000 0.452 539 N N 4.109 122.342 118.700 -0.780 0.000 2.452 539 N HA 0.279 5.019 4.740 -0.000 0.000 0.277 539 N C -2.133 173.206 175.510 -0.284 0.000 1.078 539 N CA -0.796 51.977 53.050 -0.462 0.000 0.947 539 N CB 1.690 39.918 38.487 -0.431 0.000 1.655 539 N HN 0.609 nan 8.380 nan 0.000 0.490 540 K N 1.690 121.993 120.400 -0.162 0.000 2.334 540 K HA 0.451 4.771 4.320 -0.000 0.000 0.265 540 K C -1.073 175.564 176.600 0.062 0.000 1.039 540 K CA -0.686 55.584 56.287 -0.028 0.000 0.920 540 K CB 2.014 34.528 32.500 0.023 0.000 1.160 540 K HN 0.230 nan 8.250 nan 0.000 0.451 541 V N 5.012 125.009 119.914 0.138 0.000 2.448 541 V HA 0.394 4.514 4.120 -0.000 0.000 0.295 541 V C -2.637 173.581 176.094 0.207 0.000 1.025 541 V CA -2.723 59.676 62.300 0.166 0.000 0.859 541 V CB 1.871 33.808 31.823 0.189 0.000 0.988 541 V HN 0.500 nan 8.190 nan 0.000 0.431 542 P HA 0.284 nan 4.420 nan 0.000 0.276 542 P C -0.736 176.726 177.300 0.271 0.000 1.243 542 P CA 0.229 63.450 63.100 0.202 0.000 0.768 542 P CB 1.021 32.809 31.700 0.147 0.000 0.856 543 V N 0.657 120.762 119.914 0.320 0.000 3.181 543 V HA 0.574 4.693 4.120 -0.000 0.000 0.314 543 V C -0.039 176.187 176.094 0.219 0.000 1.173 543 V CA -1.051 61.463 62.300 0.356 0.000 1.052 543 V CB 1.562 33.639 31.823 0.424 0.000 1.123 543 V HN 0.213 nan 8.190 nan 0.000 0.454 544 E N 0.659 120.909 120.200 0.084 0.000 2.404 544 E HA 0.117 4.467 4.350 -0.000 0.000 0.261 544 E C 0.615 177.096 176.600 -0.199 0.000 1.074 544 E CA -0.060 56.319 56.400 -0.035 0.000 0.917 544 E CB 1.129 30.775 29.700 -0.090 0.000 0.965 544 E HN 0.791 nan 8.360 nan 0.000 0.433 545 K N 1.959 122.189 120.400 -0.284 0.000 2.032 545 K HA -0.188 4.131 4.320 -0.000 0.000 0.209 545 K C 1.711 178.065 176.600 -0.410 0.000 1.048 545 K CA 1.164 57.074 56.287 -0.628 0.000 0.927 545 K CB 0.163 32.339 32.500 -0.541 0.000 0.712 545 K HN 0.178 nan 8.250 nan 0.000 0.441 546 R N 0.450 120.784 120.500 -0.276 0.000 2.120 546 R HA -0.084 4.255 4.340 -0.000 0.000 0.234 546 R C 2.219 178.260 176.300 -0.432 0.000 1.123 546 R CA 0.880 56.834 56.100 -0.244 0.000 0.975 546 R CB -0.662 29.611 30.300 -0.044 0.000 0.866 546 R HN 0.175 nan 8.270 nan 0.000 0.446 547 V N 0.311 119.832 119.914 -0.655 0.000 2.379 547 V HA -0.191 3.928 4.120 -0.000 0.000 0.245 547 V C 2.019 177.905 176.094 -0.348 0.000 1.044 547 V CA 1.374 63.236 62.300 -0.729 0.000 1.036 547 V CB -0.608 30.706 31.823 -0.848 0.000 0.664 547 V HN 0.113 nan 8.190 nan 0.000 0.453 548 F N 1.032 120.770 119.950 -0.352 0.000 2.134 548 F HA -0.154 4.374 4.527 0.002 0.000 0.299 548 F C 2.466 178.108 175.800 -0.263 0.000 1.097 548 F CA 1.645 59.507 58.000 -0.230 0.000 1.264 548 F CB -0.068 38.812 39.000 -0.200 0.000 1.001 548 F HN -0.043 nan 8.300 nan 0.000 0.479 549 K N 0.307 120.649 120.400 -0.096 0.000 2.097 549 K HA -0.135 4.184 4.320 -0.000 0.000 0.206 549 K C 1.745 178.145 176.600 -0.333 0.000 1.049 549 K CA 1.080 57.278 56.287 -0.149 0.000 0.933 549 K CB -0.753 31.671 32.500 -0.128 0.000 0.717 549 K HN 0.330 nan 8.250 nan 0.000 0.442 550 N N 1.171 119.593 118.700 -0.464 0.000 2.142 550 N HA -0.070 4.670 4.740 -0.000 0.000 0.186 550 N C 1.992 176.738 175.510 -1.274 0.000 1.023 550 N CA 0.761 53.322 53.050 -0.815 0.000 0.852 550 N CB -0.218 37.845 38.487 -0.707 0.000 0.998 550 N HN 0.140 nan 8.380 nan 0.000 0.424 551 L N 1.291 122.040 121.223 -0.791 0.000 2.131 551 L HA -0.157 4.182 4.340 -0.000 0.000 0.210 551 L C 2.290 178.874 176.870 -0.477 0.000 1.092 551 L CA 1.053 55.558 54.840 -0.559 0.000 0.759 551 L CB -0.367 41.480 42.059 -0.354 0.000 0.903 551 L HN 0.201 nan 8.230 nan 0.000 0.435 552 Q N -0.531 118.982 119.800 -0.478 0.000 2.167 552 Q HA -0.190 4.149 4.340 -0.000 0.000 0.202 552 Q C 2.208 178.067 176.000 -0.235 0.000 0.970 552 Q CA 1.063 56.672 55.803 -0.323 0.000 0.855 552 Q CB -0.029 28.562 28.738 -0.246 0.000 0.911 552 Q HN 0.356 nan 8.270 nan 0.000 0.438 553 L N -0.762 120.276 121.223 -0.308 0.000 2.131 553 L HA -0.088 4.252 4.340 -0.000 0.000 0.206 553 L C 1.758 178.632 176.870 0.006 0.000 1.087 553 L CA 1.378 56.117 54.840 -0.168 0.000 0.767 553 L CB -0.375 41.565 42.059 -0.198 0.000 0.917 553 L HN 0.158 nan 8.230 nan 0.000 0.441 554 F N -1.217 118.670 119.950 -0.106 0.000 2.451 554 F HA -0.066 4.461 4.527 0.000 0.000 0.299 554 F C 2.067 177.778 175.800 -0.147 0.000 1.101 554 F CA 0.654 58.583 58.000 -0.120 0.000 1.436 554 F CB -1.049 37.855 39.000 -0.160 0.000 1.074 554 F HN 0.115 nan 8.300 nan 0.000 0.553 555 M N -0.707 118.894 119.600 0.002 0.000 2.371 555 M HA 0.089 4.568 4.480 -0.000 0.000 0.246 555 M C 0.309 176.578 176.300 -0.052 0.000 1.103 555 M CA -0.080 55.184 55.300 -0.060 0.000 1.010 555 M CB 0.130 32.658 32.600 -0.120 0.000 1.457 555 M HN -0.196 nan 8.290 nan 0.000 0.486 556 E N 2.750 122.932 120.200 -0.030 0.000 2.354 556 E HA 0.005 4.355 4.350 -0.000 0.000 0.269 556 E C 0.372 176.962 176.600 -0.017 0.000 1.036 556 E CA 0.303 56.687 56.400 -0.026 0.000 0.876 556 E CB 0.251 29.940 29.700 -0.019 0.000 1.009 556 E HN 0.420 nan 8.360 nan 0.000 0.416 557 N N 2.138 120.826 118.700 -0.020 0.000 2.721 557 N HA -0.288 4.452 4.740 -0.000 0.000 0.249 557 N C -1.109 174.388 175.510 -0.021 0.000 1.072 557 N CA 0.820 53.860 53.050 -0.017 0.000 0.710 557 N CB -1.296 37.185 38.487 -0.010 0.000 0.993 557 N HN 0.500 nan 8.380 nan 0.000 0.547 558 K N -0.327 120.054 120.400 -0.031 0.000 2.395 558 K HA 0.371 4.690 4.320 -0.000 0.000 0.247 558 K C -0.236 176.338 176.600 -0.043 0.000 0.973 558 K CA -0.800 55.464 56.287 -0.038 0.000 0.828 558 K CB 1.460 33.933 32.500 -0.046 0.000 1.272 558 K HN 0.032 nan 8.250 nan 0.000 0.439 559 Q N 0.918 120.692 119.800 -0.044 0.000 2.227 559 Q HA 0.193 4.533 4.340 -0.000 0.000 0.245 559 Q C -1.930 174.031 176.000 -0.064 0.000 0.926 559 Q CA -2.017 53.758 55.803 -0.046 0.000 0.895 559 Q CB 0.975 29.691 28.738 -0.037 0.000 1.230 559 Q HN 0.284 nan 8.270 nan 0.000 0.450 560 P HA -0.192 nan 4.420 nan 0.000 0.218 560 P C 0.138 177.366 177.300 -0.119 0.000 1.146 560 P CA 1.467 64.510 63.100 -0.096 0.000 0.813 560 P CB 0.413 32.066 31.700 -0.078 0.000 0.778 561 E N -1.286 118.863 120.200 -0.085 0.000 2.371 561 E HA -0.000 4.350 4.350 -0.000 0.000 0.194 561 E C 0.292 176.849 176.600 -0.072 0.000 1.012 561 E CA 0.325 56.677 56.400 -0.079 0.000 0.860 561 E CB -0.567 29.105 29.700 -0.046 0.000 0.811 561 E HN 0.336 nan 8.360 nan 0.000 0.502 562 D N 1.508 121.866 120.400 -0.070 0.000 2.362 562 D HA 0.063 4.702 4.640 -0.000 0.000 0.242 562 D C -0.223 176.032 176.300 -0.075 0.000 1.132 562 D CA -0.110 53.854 54.000 -0.061 0.000 0.907 562 D CB 0.492 41.260 40.800 -0.054 0.000 1.195 562 D HN -0.109 nan 8.370 nan 0.000 0.429 563 D N 0.745 121.109 120.400 -0.059 0.000 2.414 563 D HA -0.017 4.623 4.640 -0.000 0.000 0.242 563 D C 1.109 177.337 176.300 -0.121 0.000 1.129 563 D CA -0.303 53.658 54.000 -0.065 0.000 0.885 563 D CB 1.303 42.088 40.800 -0.026 0.000 1.198 563 D HN 0.198 nan 8.370 nan 0.000 0.437 564 L N 2.804 123.903 121.223 -0.206 0.000 2.056 564 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 564 L C 0.600 177.176 176.870 -0.490 0.000 1.078 564 L CA 1.597 56.202 54.840 -0.392 0.000 0.749 564 L CB -0.102 41.586 42.059 -0.619 0.000 0.901 564 L HN 0.224 nan 8.230 nan 0.000 0.433 565 F N 1.865 121.748 119.950 -0.111 0.000 2.441 565 F HA 0.258 4.784 4.527 -0.001 0.000 0.337 565 F C 0.330 176.027 175.800 -0.172 0.000 1.182 565 F CA -1.940 55.928 58.000 -0.220 0.000 1.279 565 F CB -0.890 37.994 39.000 -0.193 0.000 1.614 565 F HN 0.155 nan 8.300 nan 0.000 0.574 566 D N 0.833 121.211 120.400 -0.036 0.000 2.368 566 D HA 0.123 4.763 4.640 -0.000 0.000 0.240 566 D C 0.639 176.912 176.300 -0.045 0.000 1.169 566 D CA -0.273 53.706 54.000 -0.034 0.000 0.906 566 D CB 0.716 41.490 40.800 -0.045 0.000 1.187 566 D HN 0.565 nan 8.370 nan 0.000 0.435 567 R N -2.110 118.368 120.500 -0.038 0.000 3.951 567 R HA -0.216 4.124 4.340 -0.000 0.000 0.352 567 R C -0.671 175.593 176.300 -0.060 0.000 1.178 567 R CA 0.445 56.516 56.100 -0.048 0.000 0.949 567 R CB -1.961 28.302 30.300 -0.061 0.000 1.452 567 R HN 0.478 nan 8.270 nan 0.000 0.540 568 L N 1.051 122.247 121.223 -0.044 0.000 2.482 568 L HA 0.522 4.862 4.340 -0.000 0.000 0.263 568 L C -0.896 175.952 176.870 -0.036 0.000 0.957 568 L CA -0.486 54.316 54.840 -0.064 0.000 0.836 568 L CB 1.817 43.805 42.059 -0.118 0.000 1.324 568 L HN 0.281 nan 8.230 nan 0.000 0.406 569 N N 0.563 119.236 118.700 -0.046 0.000 2.853 569 N HA 0.289 5.029 4.740 -0.000 0.000 0.258 569 N C 0.027 175.516 175.510 -0.035 0.000 1.444 569 N CA -0.164 52.869 53.050 -0.028 0.000 0.837 569 N CB 1.428 39.905 38.487 -0.016 0.000 1.489 569 N HN 0.565 nan 8.380 nan 0.000 0.529 570 T N -2.766 111.775 114.554 -0.021 0.000 2.759 570 T HA -0.087 4.263 4.350 -0.000 0.000 0.269 570 T C 2.021 176.716 174.700 -0.008 0.000 1.042 570 T CA 1.611 63.701 62.100 -0.016 0.000 1.140 570 T CB -1.148 67.717 68.868 -0.005 0.000 0.864 570 T HN 0.703 nan 8.240 nan 0.000 0.455 571 G N 1.662 110.458 108.800 -0.006 0.000 2.446 571 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.217 571 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.217 571 G C 1.574 176.474 174.900 0.000 0.000 1.168 571 G CA 0.922 46.021 45.100 -0.001 0.000 0.771 571 G HN 0.590 nan 8.290 nan 0.000 0.551 572 I N -0.095 120.469 120.570 -0.011 0.000 2.252 572 I HA -0.080 4.089 4.170 -0.000 0.000 0.245 572 I C 2.557 178.677 176.117 0.005 0.000 1.102 572 I CA 0.407 61.700 61.300 -0.012 0.000 1.385 572 I CB -0.213 37.764 38.000 -0.038 0.000 1.064 572 I HN 0.147 nan 8.210 nan 0.000 0.414 573 L N 1.205 122.422 121.223 -0.011 0.000 2.017 573 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 573 L C 2.119 179.026 176.870 0.061 0.000 1.073 573 L CA 1.942 56.788 54.840 0.010 0.000 0.745 573 L CB -0.921 41.111 42.059 -0.045 0.000 0.894 573 L HN 0.196 nan 8.230 nan 0.000 0.432 574 N N -0.293 118.430 118.700 0.038 0.000 2.244 574 N HA -0.185 4.555 4.740 -0.000 0.000 0.183 574 N C 1.824 177.358 175.510 0.041 0.000 1.016 574 N CA 0.915 53.990 53.050 0.042 0.000 0.866 574 N CB -0.117 38.388 38.487 0.028 0.000 0.980 574 N HN 0.266 nan 8.380 nan 0.000 0.430 575 K N 0.609 121.036 120.400 0.046 0.000 2.057 575 K HA -0.110 4.209 4.320 -0.000 0.000 0.207 575 K C 2.048 178.694 176.600 0.077 0.000 1.049 575 K CA 1.214 57.529 56.287 0.045 0.000 0.931 575 K CB -0.401 32.122 32.500 0.038 0.000 0.714 575 K HN 0.367 nan 8.250 nan 0.000 0.440 576 H N -0.157 118.910 119.070 -0.005 0.000 2.326 576 H HA -0.052 4.504 4.556 -0.000 0.000 0.301 576 H C 1.866 177.205 175.328 0.018 0.000 1.081 576 H CA 1.695 57.743 56.048 -0.000 0.000 1.334 576 H CB 0.077 29.833 29.762 -0.011 0.000 1.385 576 H HN 0.141 nan 8.280 nan 0.000 0.504 577 L N 0.677 121.855 121.223 -0.074 0.000 2.079 577 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 577 L C 2.786 179.607 176.870 -0.081 0.000 1.081 577 L CA 1.308 56.091 54.840 -0.094 0.000 0.752 577 L CB -0.381 41.710 42.059 0.053 0.000 0.896 577 L HN 0.307 nan 8.230 nan 0.000 0.433 578 Q N 0.229 120.003 119.800 -0.043 0.000 2.226 578 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 578 Q C 1.572 177.542 176.000 -0.050 0.000 0.975 578 Q CA 1.577 57.359 55.803 -0.036 0.000 0.866 578 Q CB -0.046 28.683 28.738 -0.014 0.000 0.915 578 Q HN 0.423 nan 8.270 nan 0.000 0.440 579 D N -0.541 119.820 120.400 -0.065 0.000 2.123 579 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 579 D C 1.801 178.050 176.300 -0.086 0.000 0.976 579 D CA 0.909 54.875 54.000 -0.057 0.000 0.831 579 D CB -0.139 40.648 40.800 -0.023 0.000 0.974 579 D HN 0.304 nan 8.370 nan 0.000 0.469 580 L N -0.800 120.333 121.223 -0.150 0.000 2.046 580 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 580 L C 1.291 178.108 176.870 -0.089 0.000 1.077 580 L CA 0.743 55.504 54.840 -0.130 0.000 0.747 580 L CB -0.102 41.857 42.059 -0.167 0.000 0.896 580 L HN 0.061 nan 8.230 nan 0.000 0.432 581 M N -0.548 119.001 119.600 -0.086 0.000 2.322 581 M HA 0.276 4.756 4.480 -0.000 0.000 0.285 581 M C -1.412 174.847 176.300 -0.069 0.000 1.119 581 M CA -0.647 54.605 55.300 -0.079 0.000 0.953 581 M CB 2.340 34.881 32.600 -0.098 0.000 1.701 581 M HN -0.155 nan 8.290 nan 0.000 0.479 582 E N 2.172 122.336 120.200 -0.061 0.000 2.417 582 E HA 0.386 4.735 4.350 -0.000 0.000 0.261 582 E C 0.983 177.550 176.600 -0.056 0.000 1.000 582 E CA 1.676 58.045 56.400 -0.052 0.000 0.919 582 E CB 0.279 29.950 29.700 -0.047 0.000 0.955 582 E HN 0.898 nan 8.360 nan 0.000 0.455 583 G N 2.410 111.182 108.800 -0.047 0.000 2.179 583 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 583 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 583 G C -0.081 174.789 174.900 -0.050 0.000 0.977 583 G CA 0.113 45.185 45.100 -0.047 0.000 0.641 583 G HN 0.434 nan 8.290 nan 0.000 0.533 584 L N 2.491 123.680 121.223 -0.057 0.000 2.331 584 L HA 0.754 5.093 4.340 -0.000 0.000 0.278 584 L C 0.748 177.611 176.870 -0.011 0.000 1.106 584 L CA 0.852 55.653 54.840 -0.064 0.000 0.824 584 L CB 1.149 43.154 42.059 -0.090 0.000 1.142 584 L HN 0.621 nan 8.230 nan 0.000 0.443 585 T N 1.279 115.841 114.554 0.015 0.000 2.838 585 T HA 0.686 5.036 4.350 -0.000 0.000 0.292 585 T C 0.889 175.683 174.700 0.158 0.000 1.113 585 T CA -0.289 61.850 62.100 0.067 0.000 1.008 585 T CB 1.050 69.941 68.868 0.038 0.000 1.259 585 T HN 0.645 nan 8.240 nan 0.000 0.520 586 A N 1.256 124.172 122.820 0.159 0.000 1.892 586 A HA -0.128 4.191 4.320 -0.000 0.000 0.218 586 A C 2.178 179.912 177.584 0.251 0.000 1.188 586 A CA 2.345 54.508 52.037 0.211 0.000 0.631 586 A CB -1.152 17.902 19.000 0.091 0.000 0.822 586 A HN 1.007 nan 8.150 nan 0.000 0.447 587 K N -0.347 120.143 120.400 0.150 0.000 2.362 587 K HA 0.019 4.338 4.320 -0.000 0.000 0.200 587 K C 1.387 178.069 176.600 0.137 0.000 1.046 587 K CA 1.302 57.668 56.287 0.132 0.000 0.952 587 K CB -0.489 32.059 32.500 0.080 0.000 0.753 587 K HN 0.197 nan 8.250 nan 0.000 0.466 588 V N 1.137 121.110 119.914 0.099 0.000 2.469 588 V HA -0.211 3.909 4.120 -0.000 0.000 0.251 588 V C 1.909 178.031 176.094 0.047 0.000 1.064 588 V CA 1.635 63.947 62.300 0.019 0.000 1.066 588 V CB -0.779 30.981 31.823 -0.105 0.000 0.667 588 V HN 0.234 nan 8.190 nan 0.000 0.461 589 F N 0.294 120.322 119.950 0.131 0.000 2.171 589 F HA -0.128 4.399 4.527 -0.000 0.000 0.300 589 F C 2.597 178.513 175.800 0.193 0.000 1.090 589 F CA 1.541 59.654 58.000 0.190 0.000 1.293 589 F CB -0.366 38.712 39.000 0.130 0.000 1.013 589 F HN -0.006 nan 8.300 nan 0.000 0.486 590 R N -0.523 120.151 120.500 0.290 0.000 2.075 590 R HA -0.106 4.233 4.340 -0.000 0.000 0.232 590 R C 2.093 178.484 176.300 0.151 0.000 1.126 590 R CA 1.875 58.083 56.100 0.179 0.000 0.963 590 R CB -0.932 29.447 30.300 0.131 0.000 0.858 590 R HN 0.223 nan 8.270 nan 0.000 0.435 591 T N 0.435 115.088 114.554 0.166 0.000 2.737 591 T HA -0.188 4.161 4.350 -0.000 0.000 0.265 591 T C 1.477 176.291 174.700 0.189 0.000 1.038 591 T CA 1.378 63.579 62.100 0.169 0.000 1.144 591 T CB -0.444 68.512 68.868 0.147 0.000 0.866 591 T HN 0.302 nan 8.240 nan 0.000 0.434 592 Y N 2.530 122.920 120.300 0.151 0.000 2.089 592 Y HA -0.173 4.377 4.550 -0.001 0.000 0.282 592 Y C 2.036 178.019 175.900 0.138 0.000 1.139 592 Y CA 1.494 59.724 58.100 0.216 0.000 1.123 592 Y CB -0.872 37.674 38.460 0.144 0.000 0.980 592 Y HN 0.225 nan 8.280 nan 0.000 0.493 593 N N 0.109 118.765 118.700 -0.072 0.000 2.166 593 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 593 N C 1.975 177.380 175.510 -0.176 0.000 1.019 593 N CA 1.172 54.120 53.050 -0.169 0.000 0.856 593 N CB -0.349 38.182 38.487 0.074 0.000 0.993 593 N HN 0.508 nan 8.380 nan 0.000 0.426 594 A N 0.435 123.195 122.820 -0.100 0.000 1.873 594 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 594 A C 2.331 179.789 177.584 -0.210 0.000 1.186 594 A CA 1.447 53.419 52.037 -0.108 0.000 0.616 594 A CB -0.687 18.297 19.000 -0.026 0.000 0.823 594 A HN 0.182 nan 8.150 nan 0.000 0.442 595 S N -0.502 115.013 115.700 -0.309 0.000 2.368 595 S HA -0.148 4.322 4.470 -0.000 0.000 0.225 595 S C 1.856 176.110 174.600 -0.577 0.000 1.030 595 S CA 1.477 59.327 58.200 -0.583 0.000 0.999 595 S CB -0.401 62.129 63.200 -1.116 0.000 0.844 595 S HN 0.495 nan 8.310 nan 0.000 0.459 596 I N 1.744 122.014 120.570 -0.501 0.000 2.315 596 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 596 I C 2.151 178.154 176.117 -0.190 0.000 1.117 596 I CA 1.454 62.592 61.300 -0.269 0.000 1.404 596 I CB -0.779 37.003 38.000 -0.363 0.000 1.071 596 I HN 0.180 nan 8.210 nan 0.000 0.419 597 T N 0.699 115.128 114.554 -0.208 0.000 2.777 597 T HA -0.154 4.195 4.350 -0.000 0.000 0.266 597 T C 1.811 176.416 174.700 -0.158 0.000 1.040 597 T CA 1.696 63.708 62.100 -0.147 0.000 1.141 597 T CB -0.423 68.366 68.868 -0.131 0.000 0.868 597 T HN 0.314 nan 8.240 nan 0.000 0.444 598 L N 1.184 122.284 121.223 -0.205 0.000 1.994 598 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 598 L C 2.612 179.363 176.870 -0.198 0.000 1.071 598 L CA 1.954 56.648 54.840 -0.243 0.000 0.745 598 L CB -0.793 41.096 42.059 -0.283 0.000 0.892 598 L HN 0.246 nan 8.230 nan 0.000 0.431 599 Q N -0.900 118.813 119.800 -0.145 0.000 2.045 599 Q HA -0.320 4.020 4.340 -0.000 0.000 0.206 599 Q C 2.331 178.324 176.000 -0.012 0.000 0.991 599 Q CA 2.467 58.244 55.803 -0.044 0.000 0.851 599 Q CB -0.414 28.333 28.738 0.015 0.000 0.911 599 Q HN 0.737 nan 8.270 nan 0.000 0.418 600 Q N -0.598 119.187 119.800 -0.025 0.000 2.061 600 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 600 Q C 2.065 178.056 176.000 -0.015 0.000 0.984 600 Q CA 1.604 57.404 55.803 -0.004 0.000 0.846 600 Q CB -0.107 28.624 28.738 -0.011 0.000 0.902 600 Q HN 0.476 nan 8.270 nan 0.000 0.421 601 Q N 0.253 120.017 119.800 -0.061 0.000 2.170 601 Q HA -0.078 4.262 4.340 -0.000 0.000 0.203 601 Q C 2.311 178.269 176.000 -0.072 0.000 0.976 601 Q CA 0.975 56.733 55.803 -0.076 0.000 0.858 601 Q CB -0.103 28.561 28.738 -0.124 0.000 0.907 601 Q HN 0.490 nan 8.270 nan 0.000 0.433 602 L N 0.445 121.613 121.223 -0.092 0.000 2.093 602 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 602 L C 2.572 179.540 176.870 0.164 0.000 1.085 602 L CA 1.049 55.860 54.840 -0.048 0.000 0.755 602 L CB -0.346 41.623 42.059 -0.150 0.000 0.904 602 L HN 0.171 nan 8.230 nan 0.000 0.435 603 K N 0.528 121.013 120.400 0.142 0.000 2.097 603 K HA -0.168 4.152 4.320 -0.000 0.000 0.205 603 K C 1.789 178.467 176.600 0.129 0.000 1.050 603 K CA 1.334 57.728 56.287 0.179 0.000 0.938 603 K CB 0.156 32.734 32.500 0.130 0.000 0.718 603 K HN 0.337 nan 8.250 nan 0.000 0.442 604 E N 0.037 120.280 120.200 0.071 0.000 2.230 604 E HA -0.032 4.318 4.350 -0.000 0.000 0.192 604 E C 1.745 178.362 176.600 0.027 0.000 0.987 604 E CA 0.529 56.956 56.400 0.044 0.000 0.841 604 E CB 0.270 29.984 29.700 0.022 0.000 0.783 604 E HN 0.284 nan 8.360 nan 0.000 0.481 605 L N 0.420 121.655 121.223 0.019 0.000 2.463 605 L HA 0.096 4.436 4.340 -0.000 0.000 0.219 605 L C 0.666 177.529 176.870 -0.012 0.000 1.088 605 L CA 0.195 55.033 54.840 -0.004 0.000 0.849 605 L CB 0.180 42.222 42.059 -0.028 0.000 1.012 605 L HN -0.081 nan 8.230 nan 0.000 0.468 606 T N 2.000 116.563 114.554 0.015 0.000 2.799 606 T HA 0.403 4.753 4.350 -0.000 0.000 0.296 606 T C 0.271 174.814 174.700 -0.262 0.000 0.947 606 T CA -0.269 61.763 62.100 -0.114 0.000 1.141 606 T CB 1.169 69.973 68.868 -0.106 0.000 0.891 606 T HN 0.218 nan 8.240 nan 0.000 0.533 607 A N 5.848 128.491 122.820 -0.296 0.000 2.274 607 A HA 0.564 4.884 4.320 -0.000 0.000 0.309 607 A C -1.356 175.971 177.584 -0.428 0.000 1.226 607 A CA -1.759 50.125 52.037 -0.255 0.000 0.853 607 A CB 0.516 19.428 19.000 -0.147 0.000 1.146 607 A HN 0.474 nan 8.150 nan 0.000 0.518 608 P HA -0.203 nan 4.420 nan 0.000 0.217 608 P C 0.598 177.836 177.300 -0.103 0.000 1.148 608 P CA 1.967 64.931 63.100 -0.226 0.000 0.828 608 P CB 0.133 31.898 31.700 0.108 0.000 0.783 609 D N -2.180 118.167 120.400 -0.087 0.000 2.289 609 D HA -0.061 4.578 4.640 -0.000 0.000 0.207 609 D C 0.616 176.875 176.300 -0.069 0.000 0.966 609 D CA 0.296 54.266 54.000 -0.049 0.000 0.868 609 D CB -0.686 40.096 40.800 -0.030 0.000 0.943 609 D HN 0.023 nan 8.370 nan 0.000 0.514 610 E N 1.245 121.377 120.200 -0.113 0.000 2.413 610 E HA 0.047 4.397 4.350 -0.000 0.000 0.263 610 E C 0.138 176.688 176.600 -0.084 0.000 1.015 610 E CA -0.049 56.294 56.400 -0.096 0.000 0.916 610 E CB 0.463 30.097 29.700 -0.110 0.000 0.947 610 E HN 0.560 nan 8.360 nan 0.000 0.440 611 N N 1.144 119.813 118.700 -0.052 0.000 2.354 611 N HA 0.074 4.814 4.740 -0.000 0.000 0.246 611 N C 1.309 176.797 175.510 -0.037 0.000 1.285 611 N CA -0.535 52.492 53.050 -0.038 0.000 0.925 611 N CB 0.741 39.214 38.487 -0.023 0.000 1.174 611 N HN 0.394 nan 8.380 nan 0.000 0.478 612 I N -0.301 120.253 120.570 -0.027 0.000 2.113 612 I HA -0.248 3.921 4.170 -0.000 0.000 0.242 612 I C -0.772 175.352 176.117 0.011 0.000 1.064 612 I CA 1.692 62.983 61.300 -0.014 0.000 1.320 612 I CB -1.203 36.790 38.000 -0.013 0.000 1.028 612 I HN 0.575 nan 8.210 nan 0.000 0.406 613 P HA -0.216 nan 4.420 nan 0.000 0.216 613 P C 1.426 178.739 177.300 0.021 0.000 1.153 613 P CA 2.074 65.182 63.100 0.014 0.000 0.858 613 P CB -0.043 31.659 31.700 0.003 0.000 0.789 614 A N -0.390 122.434 122.820 0.007 0.000 1.930 614 A HA -0.183 4.136 4.320 -0.000 0.000 0.217 614 A C 2.091 179.691 177.584 0.026 0.000 1.175 614 A CA 1.456 53.495 52.037 0.002 0.000 0.627 614 A CB -0.906 18.080 19.000 -0.022 0.000 0.815 614 A HN 0.118 nan 8.150 nan 0.000 0.443 615 K N -0.439 119.984 120.400 0.039 0.000 2.097 615 K HA -0.019 4.301 4.320 -0.000 0.000 0.205 615 K C 1.746 178.536 176.600 0.317 0.000 1.050 615 K CA 1.302 57.675 56.287 0.142 0.000 0.938 615 K CB -0.323 32.197 32.500 0.032 0.000 0.718 615 K HN 0.543 nan 8.250 nan 0.000 0.442 616 I N 1.304 122.000 120.570 0.210 0.000 2.315 616 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 616 I C 2.385 178.570 176.117 0.113 0.000 1.117 616 I CA 0.801 62.204 61.300 0.171 0.000 1.404 616 I CB -0.160 37.890 38.000 0.083 0.000 1.071 616 I HN 0.176 nan 8.210 nan 0.000 0.419 617 L N 0.087 121.353 121.223 0.072 0.000 2.046 617 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 617 L C 2.639 179.521 176.870 0.019 0.000 1.077 617 L CA 1.573 56.434 54.840 0.034 0.000 0.747 617 L CB -0.128 41.941 42.059 0.016 0.000 0.896 617 L HN 0.222 nan 8.230 nan 0.000 0.432 618 S N -1.089 114.633 115.700 0.037 0.000 2.368 618 S HA -0.245 4.224 4.470 -0.000 0.000 0.225 618 S C 1.685 176.231 174.600 -0.089 0.000 1.030 618 S CA 1.379 59.579 58.200 -0.001 0.000 0.999 618 S CB -0.468 62.764 63.200 0.054 0.000 0.844 618 S HN 0.553 nan 8.310 nan 0.000 0.459 619 Y N 2.676 122.833 120.300 -0.238 0.000 2.145 619 Y HA -0.173 4.377 4.550 -0.000 0.000 0.286 619 Y C 1.882 177.604 175.900 -0.297 0.000 1.145 619 Y CA 1.774 59.571 58.100 -0.505 0.000 1.148 619 Y CB -0.626 37.400 38.460 -0.723 0.000 0.981 619 Y HN 0.297 nan 8.280 nan 0.000 0.507 620 N N -0.459 118.238 118.700 -0.006 0.000 2.166 620 N HA -0.158 4.582 4.740 -0.000 0.000 0.186 620 N C 1.778 177.221 175.510 -0.111 0.000 1.019 620 N CA 0.976 54.009 53.050 -0.028 0.000 0.856 620 N CB -0.119 38.387 38.487 0.033 0.000 0.993 620 N HN 0.320 nan 8.380 nan 0.000 0.426 621 R N 0.666 121.099 120.500 -0.112 0.000 2.092 621 R HA 0.016 4.356 4.340 -0.000 0.000 0.231 621 R C 2.231 178.435 176.300 -0.159 0.000 1.119 621 R CA 1.067 57.102 56.100 -0.107 0.000 0.970 621 R CB -0.288 29.965 30.300 -0.078 0.000 0.864 621 R HN 0.230 nan 8.270 nan 0.000 0.440 622 A N 1.348 124.018 122.820 -0.250 0.000 1.898 622 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 622 A C 1.904 179.302 177.584 -0.310 0.000 1.181 622 A CA 1.562 53.421 52.037 -0.297 0.000 0.620 622 A CB -0.732 18.015 19.000 -0.421 0.000 0.819 622 A HN 0.440 nan 8.150 nan 0.000 0.442 623 N N -1.143 117.327 118.700 -0.385 0.000 2.188 623 N HA -0.168 4.571 4.740 -0.000 0.000 0.184 623 N C 2.056 177.481 175.510 -0.141 0.000 1.018 623 N CA 0.959 53.837 53.050 -0.287 0.000 0.858 623 N CB -0.109 38.215 38.487 -0.272 0.000 0.989 623 N HN 0.483 nan 8.380 nan 0.000 0.426 624 R N 0.228 120.657 120.500 -0.120 0.000 2.092 624 R HA -0.033 4.307 4.340 -0.000 0.000 0.231 624 R C 2.084 178.343 176.300 -0.069 0.000 1.119 624 R CA 1.238 57.297 56.100 -0.068 0.000 0.970 624 R CB -0.149 30.116 30.300 -0.059 0.000 0.864 624 R HN 0.227 nan 8.270 nan 0.000 0.440 625 A N -0.095 122.669 122.820 -0.093 0.000 1.972 625 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 625 A C 2.159 179.694 177.584 -0.081 0.000 1.169 625 A CA 1.310 53.298 52.037 -0.082 0.000 0.635 625 A CB -0.303 18.642 19.000 -0.092 0.000 0.810 625 A HN 0.208 nan 8.150 nan 0.000 0.446 626 V N -0.357 119.500 119.914 -0.095 0.000 2.323 626 V HA -0.182 3.938 4.120 -0.000 0.000 0.244 626 V C 3.050 179.104 176.094 -0.066 0.000 1.041 626 V CA 1.749 63.999 62.300 -0.085 0.000 1.025 626 V CB -1.096 30.672 31.823 -0.092 0.000 0.656 626 V HN 0.601 nan 8.190 nan 0.000 0.451 627 A N -0.011 122.790 122.820 -0.032 0.000 1.883 627 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 627 A C 2.112 179.664 177.584 -0.053 0.000 1.186 627 A CA 2.075 54.115 52.037 0.006 0.000 0.624 627 A CB -0.599 18.435 19.000 0.057 0.000 0.822 627 A HN 0.435 nan 8.150 nan 0.000 0.444 628 I N -0.507 120.035 120.570 -0.047 0.000 2.208 628 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 628 I C 2.413 178.490 176.117 -0.068 0.000 1.097 628 I CA 1.167 62.436 61.300 -0.052 0.000 1.363 628 I CB -0.296 37.677 38.000 -0.046 0.000 1.051 628 I HN 0.428 nan 8.210 nan 0.000 0.413 629 L N -0.486 120.693 121.223 -0.072 0.000 2.017 629 L HA -0.276 4.064 4.340 -0.000 0.000 0.208 629 L C 2.129 178.945 176.870 -0.090 0.000 1.073 629 L CA 1.500 56.302 54.840 -0.064 0.000 0.745 629 L CB -0.181 41.843 42.059 -0.059 0.000 0.894 629 L HN 0.314 nan 8.230 nan 0.000 0.432 630 C N 0.229 119.411 119.300 -0.196 0.000 2.539 630 C HA 0.028 4.487 4.460 -0.000 0.000 0.271 630 C C 1.391 176.147 174.990 -0.390 0.000 1.412 630 C CA 0.336 59.128 59.018 -0.376 0.000 1.729 630 C CB -2.213 25.071 27.740 -0.761 0.000 1.739 630 C HN 0.762 nan 8.230 nan 0.000 0.570 631 N N 0.468 119.062 118.700 -0.177 0.000 2.735 631 N HA -0.211 4.529 4.740 -0.000 0.000 0.248 631 N C -0.510 175.003 175.510 0.006 0.000 1.083 631 N CA 0.095 53.120 53.050 -0.041 0.000 0.703 631 N CB -1.238 37.319 38.487 0.116 0.000 1.005 631 N HN 0.754 nan 8.380 nan 0.000 0.550 632 H N 0.856 119.940 119.070 0.024 0.000 2.799 632 H HA 0.134 4.690 4.556 -0.001 0.000 0.225 632 H C 0.313 175.645 175.328 0.007 0.000 1.904 632 H CA -0.290 55.769 56.048 0.019 0.000 1.344 632 H CB 0.303 30.076 29.762 0.019 0.000 1.744 632 H HN 0.297 nan 8.280 nan 0.000 0.542 633 Q N 1.559 121.423 119.800 0.107 0.000 2.382 633 Q HA 0.337 4.676 4.340 -0.000 0.000 0.229 633 Q C 0.140 176.166 176.000 0.043 0.000 1.006 633 Q CA -0.131 55.702 55.803 0.050 0.000 0.916 633 Q CB 1.520 30.269 28.738 0.018 0.000 1.235 633 Q HN 0.515 nan 8.270 nan 0.000 0.512 634 R N -0.544 119.969 120.500 0.022 0.000 2.707 634 R HA 0.628 4.967 4.340 -0.000 0.000 0.272 634 R C -1.842 174.460 176.300 0.003 0.000 1.011 634 R CA -0.451 55.657 56.100 0.013 0.000 0.893 634 R CB 1.627 31.935 30.300 0.013 0.000 1.233 634 R HN 0.676 nan 8.270 nan 0.000 0.464 635 A N 3.504 126.324 122.820 0.000 0.000 2.310 635 A HA 0.533 4.853 4.320 -0.000 0.000 0.299 635 A C -2.317 175.265 177.584 -0.005 0.000 1.147 635 A CA -1.712 50.322 52.037 -0.004 0.000 0.818 635 A CB 0.421 19.419 19.000 -0.004 0.000 1.096 635 A HN 0.506 nan 8.150 nan 0.000 0.495 636 P HA 0.128 nan 4.420 nan 0.000 0.258 636 P C -2.331 174.966 177.300 -0.006 0.000 1.172 636 P CA -0.201 62.895 63.100 -0.007 0.000 0.762 636 P CB -0.338 31.356 31.700 -0.010 0.000 0.764 637 P HA -0.117 nan 4.420 nan 0.000 0.235 637 P C 0.055 177.352 177.300 -0.005 0.000 1.080 637 P CA 0.365 63.462 63.100 -0.004 0.000 1.096 637 P CB -0.265 31.433 31.700 -0.004 0.000 1.085 638 K N 4.264 124.661 120.400 -0.005 0.000 4.704 638 K HA -0.257 4.063 4.320 -0.000 0.000 0.263 638 K C 1.271 177.867 176.600 -0.008 0.000 0.677 638 K CA 1.637 57.921 56.287 -0.006 0.000 0.608 638 K CB -1.881 30.616 32.500 -0.005 0.000 2.194 638 K HN 0.795 nan 8.250 nan 0.000 0.377 639 T N -1.889 112.660 114.554 -0.009 0.000 9.270 639 T HA -0.321 4.029 4.350 -0.000 0.000 0.360 639 T C 1.417 176.112 174.700 -0.008 0.000 1.823 639 T CA 2.644 64.738 62.100 -0.009 0.000 2.748 639 T CB -2.566 66.296 68.868 -0.011 0.000 2.671 639 T HN 1.005 nan 8.240 nan 0.000 1.169 640 F N 1.000 120.946 119.950 -0.007 0.000 2.771 640 F HA 0.415 4.942 4.527 -0.000 0.000 0.299 640 F C 2.120 177.916 175.800 -0.006 0.000 1.177 640 F CA 1.555 59.551 58.000 -0.006 0.000 1.450 640 F CB -0.273 38.724 39.000 -0.006 0.000 1.114 640 F HN 0.618 nan 8.300 nan 0.000 0.587 641 E N 0.434 120.631 120.200 -0.006 0.000 2.268 641 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 641 E C 1.787 178.383 176.600 -0.006 0.000 0.995 641 E CA 0.566 56.962 56.400 -0.006 0.000 0.836 641 E CB -0.321 29.374 29.700 -0.007 0.000 0.763 641 E HN 0.681 nan 8.360 nan 0.000 0.491 642 K N 0.590 120.986 120.400 -0.007 0.000 2.616 642 K HA -0.029 4.291 4.320 -0.000 0.000 0.192 642 K C 1.631 178.228 176.600 -0.006 0.000 1.031 642 K CA 0.624 56.907 56.287 -0.007 0.000 1.004 642 K CB -0.031 32.465 32.500 -0.007 0.000 0.810 642 K HN 0.027 nan 8.250 nan 0.000 0.497 643 S N -0.182 115.514 115.700 -0.005 0.000 2.603 643 S HA -0.078 4.392 4.470 -0.000 0.000 0.229 643 S C 1.685 176.283 174.600 -0.004 0.000 0.972 643 S CA 0.349 58.547 58.200 -0.004 0.000 0.935 643 S CB -0.008 63.190 63.200 -0.003 0.000 0.769 643 S HN 0.148 nan 8.310 nan 0.000 0.536 644 M N 1.426 121.023 119.600 -0.005 0.000 2.319 644 M HA 0.318 4.798 4.480 -0.000 0.000 0.265 644 M C 1.851 178.148 176.300 -0.005 0.000 1.068 644 M CA 1.313 56.610 55.300 -0.005 0.000 1.118 644 M CB -0.758 31.839 32.600 -0.005 0.000 1.395 644 M HN 0.342 nan 8.290 nan 0.000 0.435 645 M N -0.683 118.914 119.600 -0.005 0.000 2.229 645 M HA -0.158 4.321 4.480 -0.000 0.000 0.264 645 M C 1.478 177.776 176.300 -0.004 0.000 1.063 645 M CA 1.023 56.320 55.300 -0.005 0.000 1.114 645 M CB -0.595 32.002 32.600 -0.005 0.000 1.387 645 M HN 0.204 nan 8.290 nan 0.000 0.420 646 N N 0.841 119.539 118.700 -0.004 0.000 2.188 646 N HA -0.055 4.685 4.740 -0.000 0.000 0.184 646 N C 1.758 177.266 175.510 -0.003 0.000 1.018 646 N CA 1.241 54.289 53.050 -0.003 0.000 0.858 646 N CB -0.403 38.082 38.487 -0.003 0.000 0.989 646 N HN 0.372 nan 8.380 nan 0.000 0.426 647 L N 0.816 122.038 121.223 -0.003 0.000 2.109 647 L HA -0.080 4.259 4.340 -0.000 0.000 0.207 647 L C 2.343 179.211 176.870 -0.003 0.000 1.086 647 L CA 0.843 55.681 54.840 -0.003 0.000 0.760 647 L CB -0.340 41.718 42.059 -0.002 0.000 0.910 647 L HN 0.090 nan 8.230 nan 0.000 0.437 648 Q N -0.081 119.717 119.800 -0.004 0.000 2.084 648 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 648 Q C 2.379 178.377 176.000 -0.004 0.000 0.978 648 Q CA 2.258 58.059 55.803 -0.004 0.000 0.844 648 Q CB -0.606 28.129 28.738 -0.004 0.000 0.898 648 Q HN 0.651 nan 8.270 nan 0.000 0.426 649 T N -1.677 112.875 114.554 -0.004 0.000 2.821 649 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 649 T C 1.758 176.456 174.700 -0.003 0.000 1.046 649 T CA 1.030 63.128 62.100 -0.003 0.000 1.139 649 T CB -0.013 68.853 68.868 -0.003 0.000 0.871 649 T HN 0.177 nan 8.240 nan 0.000 0.454 650 K N 0.737 121.135 120.400 -0.003 0.000 2.057 650 K HA 0.130 4.449 4.320 -0.000 0.000 0.206 650 K C 2.297 178.895 176.600 -0.003 0.000 1.050 650 K CA 1.376 57.661 56.287 -0.002 0.000 0.935 650 K CB -0.351 32.148 32.500 -0.002 0.000 0.715 650 K HN 0.386 nan 8.250 nan 0.000 0.439 651 I N 1.459 122.027 120.570 -0.003 0.000 2.226 651 I HA -0.267 3.902 4.170 -0.000 0.000 0.245 651 I C 1.606 177.721 176.117 -0.003 0.000 1.100 651 I CA 1.166 62.464 61.300 -0.003 0.000 1.374 651 I CB -0.265 37.733 38.000 -0.004 0.000 1.057 651 I HN 0.154 nan 8.210 nan 0.000 0.413 652 D N 0.983 121.381 120.400 -0.003 0.000 2.219 652 D HA -0.085 4.555 4.640 -0.000 0.000 0.205 652 D C 2.207 178.506 176.300 -0.003 0.000 0.970 652 D CA 1.282 55.280 54.000 -0.003 0.000 0.851 652 D CB 0.068 40.866 40.800 -0.003 0.000 0.943 652 D HN 0.339 nan 8.370 nan 0.000 0.488 653 A N 0.874 123.692 122.820 -0.003 0.000 1.897 653 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 653 A C 2.118 179.700 177.584 -0.002 0.000 1.181 653 A CA 1.449 53.485 52.037 -0.002 0.000 0.620 653 A CB -0.232 18.766 19.000 -0.002 0.000 0.821 653 A HN 0.028 nan 8.150 nan 0.000 0.443 654 K N 0.490 120.889 120.400 -0.003 0.000 2.097 654 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 654 K C 1.800 178.399 176.600 -0.003 0.000 1.050 654 K CA 1.722 58.007 56.287 -0.003 0.000 0.938 654 K CB -0.260 32.239 32.500 -0.003 0.000 0.718 654 K HN 0.450 nan 8.250 nan 0.000 0.442 655 K N 0.152 120.550 120.400 -0.003 0.000 2.209 655 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 655 K C 1.604 178.202 176.600 -0.003 0.000 1.048 655 K CA 1.181 57.466 56.287 -0.003 0.000 0.940 655 K CB 0.066 32.564 32.500 -0.003 0.000 0.729 655 K HN 0.150 nan 8.250 nan 0.000 0.451 656 E N 0.854 121.052 120.200 -0.003 0.000 2.112 656 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 656 E C 1.965 178.564 176.600 -0.002 0.000 0.979 656 E CA 1.006 57.405 56.400 -0.002 0.000 0.814 656 E CB -0.100 29.598 29.700 -0.002 0.000 0.762 656 E HN 0.383 nan 8.360 nan 0.000 0.460 657 Q N 0.310 120.109 119.800 -0.002 0.000 2.046 657 Q HA -0.111 4.228 4.340 -0.000 0.000 0.200 657 Q C 2.264 178.263 176.000 -0.002 0.000 0.975 657 Q CA 0.908 56.710 55.803 -0.002 0.000 0.836 657 Q CB -0.236 28.501 28.738 -0.002 0.000 0.896 657 Q HN 0.126 nan 8.270 nan 0.000 0.428 658 L N 0.981 122.203 121.223 -0.003 0.000 2.012 658 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 658 L C 2.197 179.065 176.870 -0.003 0.000 1.073 658 L CA 2.192 57.030 54.840 -0.003 0.000 0.748 658 L CB -0.873 41.184 42.059 -0.003 0.000 0.891 658 L HN 0.137 nan 8.230 nan 0.000 0.431 659 A N -1.197 121.622 122.820 -0.003 0.000 1.972 659 A HA -0.212 4.107 4.320 -0.000 0.000 0.219 659 A C 2.069 179.652 177.584 -0.002 0.000 1.169 659 A CA 1.789 53.824 52.037 -0.002 0.000 0.635 659 A CB -0.760 18.238 19.000 -0.003 0.000 0.810 659 A HN 0.541 nan 8.150 nan 0.000 0.446 660 D N -0.081 120.318 120.400 -0.002 0.000 2.117 660 D HA -0.026 4.614 4.640 -0.000 0.000 0.198 660 D C 2.228 178.527 176.300 -0.002 0.000 0.982 660 D CA 1.404 55.403 54.000 -0.002 0.000 0.828 660 D CB -0.254 40.545 40.800 -0.002 0.000 0.967 660 D HN 0.392 nan 8.370 nan 0.000 0.464 661 A N 0.920 123.739 122.820 -0.002 0.000 2.015 661 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 661 A C 2.119 179.702 177.584 -0.002 0.000 1.163 661 A CA 0.881 52.917 52.037 -0.002 0.000 0.646 661 A CB -0.194 18.805 19.000 -0.002 0.000 0.806 661 A HN 0.052 nan 8.150 nan 0.000 0.448 662 R N -0.298 120.201 120.500 -0.002 0.000 2.115 662 R HA -0.014 4.326 4.340 -0.000 0.000 0.226 662 R C 2.153 178.451 176.300 -0.002 0.000 1.100 662 R CA 1.207 57.305 56.100 -0.002 0.000 0.980 662 R CB -0.381 29.917 30.300 -0.002 0.000 0.875 662 R HN 0.572 nan 8.270 nan 0.000 0.445 663 R N 0.330 120.829 120.500 -0.002 0.000 2.090 663 R HA -0.059 4.280 4.340 -0.000 0.000 0.228 663 R C 1.688 177.987 176.300 -0.002 0.000 1.110 663 R CA 0.999 57.098 56.100 -0.002 0.000 0.973 663 R CB -0.113 30.186 30.300 -0.002 0.000 0.869 663 R HN 0.137 nan 8.270 nan 0.000 0.440 664 D N 0.930 121.329 120.400 -0.002 0.000 2.097 664 D HA -0.157 4.483 4.640 -0.000 0.000 0.195 664 D C 1.830 178.130 176.300 -0.001 0.000 0.989 664 D CA 1.019 55.018 54.000 -0.001 0.000 0.827 664 D CB -0.087 40.712 40.800 -0.001 0.000 0.966 664 D HN 0.033 nan 8.370 nan 0.000 0.456 665 L N 1.144 122.366 121.223 -0.002 0.000 2.056 665 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 665 L C 2.082 178.951 176.870 -0.002 0.000 1.078 665 L CA 1.731 56.570 54.840 -0.002 0.000 0.749 665 L CB -0.494 41.564 42.059 -0.002 0.000 0.901 665 L HN -0.168 nan 8.230 nan 0.000 0.433 666 K N -0.272 120.127 120.400 -0.002 0.000 2.063 666 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 666 K C 2.173 178.772 176.600 -0.001 0.000 1.048 666 K CA 2.002 58.288 56.287 -0.002 0.000 0.928 666 K CB -0.581 31.918 32.500 -0.002 0.000 0.713 666 K HN 0.559 nan 8.250 nan 0.000 0.442 667 S N -0.779 114.921 115.700 -0.001 0.000 2.446 667 S HA 0.122 4.592 4.470 -0.000 0.000 0.225 667 S C 2.147 176.746 174.600 -0.001 0.000 1.016 667 S CA 0.442 58.642 58.200 -0.001 0.000 0.943 667 S CB -0.184 63.015 63.200 -0.001 0.000 0.786 667 S HN 0.350 nan 8.310 nan 0.000 0.508 668 A N 2.206 125.025 122.820 -0.001 0.000 1.930 668 A HA 0.055 4.375 4.320 -0.000 0.000 0.217 668 A C 2.249 179.833 177.584 -0.001 0.000 1.175 668 A CA 1.284 53.320 52.037 -0.001 0.000 0.627 668 A CB -0.489 18.510 19.000 -0.001 0.000 0.815 668 A HN 0.561 nan 8.150 nan 0.000 0.443 669 K N -0.329 120.071 120.400 -0.001 0.000 2.097 669 K HA 0.004 4.323 4.320 -0.000 0.000 0.205 669 K C 2.289 178.889 176.600 -0.001 0.000 1.050 669 K CA 0.981 57.268 56.287 -0.001 0.000 0.938 669 K CB -0.269 32.231 32.500 -0.001 0.000 0.718 669 K HN 0.426 nan 8.250 nan 0.000 0.442 670 A N 1.482 124.301 122.820 -0.001 0.000 1.933 670 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 670 A C 1.731 179.315 177.584 -0.001 0.000 1.175 670 A CA 1.922 53.959 52.037 -0.001 0.000 0.628 670 A CB -0.399 18.600 19.000 -0.001 0.000 0.814 670 A HN 0.221 nan 8.150 nan 0.000 0.444 671 D N -0.798 119.601 120.400 -0.001 0.000 2.317 671 D HA 0.167 4.807 4.640 -0.000 0.000 0.211 671 D C 1.857 178.157 176.300 -0.001 0.000 0.966 671 D CA 0.941 54.940 54.000 -0.001 0.000 0.876 671 D CB -0.041 40.758 40.800 -0.001 0.000 0.927 671 D HN 0.349 nan 8.370 nan 0.000 0.519 672 A N 0.183 123.003 122.820 -0.001 0.000 2.016 672 A HA -0.077 4.242 4.320 -0.000 0.000 0.217 672 A C 2.062 179.645 177.584 -0.001 0.000 1.162 672 A CA 0.733 52.769 52.037 -0.001 0.000 0.662 672 A CB -0.129 18.871 19.000 -0.001 0.000 0.812 672 A HN -0.009 nan 8.150 nan 0.000 0.450 673 K N 0.319 120.719 120.400 -0.001 0.000 1.984 673 K HA -0.043 4.277 4.320 -0.000 0.000 0.209 673 K C 1.045 177.644 176.600 -0.001 0.000 1.046 673 K CA 1.308 57.594 56.287 -0.001 0.000 0.934 673 K CB -1.384 31.115 32.500 -0.001 0.000 0.717 673 K HN 0.475 nan 8.250 nan 0.000 0.438 674 V N 0.632 120.545 119.914 -0.001 0.000 2.421 674 V HA 0.168 4.288 4.120 -0.000 0.000 0.271 674 V C 0.538 176.632 176.094 -0.001 0.000 1.031 674 V CA -0.191 62.108 62.300 -0.001 0.000 1.032 674 V CB -0.358 31.465 31.823 -0.001 0.000 1.009 674 V HN 0.492 nan 8.190 nan 0.000 0.477 675 M N 2.203 121.803 119.600 -0.001 0.000 3.105 675 M HA -0.115 4.365 4.480 -0.000 0.000 0.177 675 M C 0.118 176.417 176.300 -0.001 0.000 1.237 675 M CA 0.401 55.701 55.300 -0.001 0.000 0.784 675 M CB -0.413 32.187 32.600 -0.000 0.000 1.264 675 M HN 1.043 nan 8.290 nan 0.000 0.715 676 K N 3.128 123.528 120.400 -0.001 0.000 2.402 676 K HA 0.358 4.678 4.320 -0.000 0.000 0.285 676 K C -0.588 176.012 176.600 -0.001 0.000 1.054 676 K CA 0.825 57.112 56.287 -0.001 0.000 1.001 676 K CB 0.414 32.913 32.500 -0.001 0.000 0.946 676 K HN 0.543 nan 8.250 nan 0.000 0.473 677 D N 2.209 122.608 120.400 -0.001 0.000 2.615 677 D HA 0.363 5.002 4.640 -0.000 0.000 0.267 677 D C -0.096 176.204 176.300 -0.001 0.000 1.236 677 D CA -0.645 53.355 54.000 -0.001 0.000 0.839 677 D CB 0.774 41.574 40.800 -0.000 0.000 1.380 677 D HN 0.213 nan 8.370 nan 0.000 0.433 678 A N -0.334 122.485 122.820 -0.001 0.000 2.119 678 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 678 A C 1.836 179.419 177.584 -0.001 0.000 1.153 678 A CA 0.857 52.894 52.037 -0.001 0.000 0.692 678 A CB -0.517 18.483 19.000 -0.001 0.000 0.799 678 A HN 0.366 nan 8.150 nan 0.000 0.458 679 K N -0.338 120.062 120.400 -0.001 0.000 2.076 679 K HA -0.036 4.284 4.320 -0.000 0.000 0.204 679 K C 1.761 178.360 176.600 -0.001 0.000 1.051 679 K CA 1.786 58.073 56.287 -0.001 0.000 0.949 679 K CB -0.520 31.980 32.500 -0.000 0.000 0.726 679 K HN 0.440 nan 8.250 nan 0.000 0.443 680 T N 0.960 115.514 114.554 -0.001 0.000 2.985 680 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 680 T C 1.793 176.492 174.700 -0.001 0.000 1.076 680 T CA 0.925 63.025 62.100 -0.001 0.000 1.135 680 T CB 0.149 69.016 68.868 -0.001 0.000 0.890 680 T HN 0.268 nan 8.240 nan 0.000 0.480 681 K N 1.098 121.497 120.400 -0.001 0.000 2.097 681 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 681 K C 2.032 178.631 176.600 -0.001 0.000 1.050 681 K CA 0.917 57.204 56.287 -0.001 0.000 0.938 681 K CB 0.099 32.599 32.500 -0.001 0.000 0.718 681 K HN -0.042 nan 8.250 nan 0.000 0.442 682 K N 0.560 120.959 120.400 -0.001 0.000 2.288 682 K HA -0.036 4.284 4.320 -0.000 0.000 0.201 682 K C 1.916 178.516 176.600 -0.001 0.000 1.048 682 K CA 0.597 56.883 56.287 -0.001 0.000 0.956 682 K CB 0.020 32.520 32.500 -0.001 0.000 0.746 682 K HN 0.064 nan 8.250 nan 0.000 0.461 683 V N 0.533 120.446 119.914 -0.001 0.000 2.488 683 V HA -0.139 3.981 4.120 -0.000 0.000 0.246 683 V C 2.329 178.422 176.094 -0.001 0.000 1.046 683 V CA 1.002 63.301 62.300 -0.001 0.000 1.053 683 V CB -0.259 31.564 31.823 -0.001 0.000 0.679 683 V HN -0.074 nan 8.190 nan 0.000 0.458 684 V N 0.358 120.272 119.914 -0.001 0.000 2.515 684 V HA -0.200 3.919 4.120 -0.000 0.000 0.250 684 V C 2.589 178.682 176.094 -0.001 0.000 1.058 684 V CA 2.014 64.313 62.300 -0.001 0.000 1.064 684 V CB -0.521 31.301 31.823 -0.001 0.000 0.675 684 V HN 0.632 nan 8.190 nan 0.000 0.461 685 E N 1.420 121.620 120.200 -0.001 0.000 2.028 685 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 685 E C 2.389 178.988 176.600 -0.001 0.000 0.988 685 E CA 1.902 58.301 56.400 -0.001 0.000 0.799 685 E CB -0.217 29.482 29.700 -0.001 0.000 0.755 685 E HN 0.694 nan 8.360 nan 0.000 0.447 686 S N 0.190 115.889 115.700 -0.001 0.000 2.447 686 S HA -0.028 4.442 4.470 -0.000 0.000 0.233 686 S C 1.732 176.331 174.600 -0.001 0.000 1.006 686 S CA 0.559 58.758 58.200 -0.001 0.000 0.957 686 S CB -0.004 63.195 63.200 -0.001 0.000 0.773 686 S HN 0.071 nan 8.310 nan 0.000 0.507 687 K N 1.726 122.125 120.400 -0.001 0.000 2.137 687 K HA 0.164 4.483 4.320 -0.000 0.000 0.202 687 K C 2.087 178.686 176.600 -0.002 0.000 1.052 687 K CA 0.854 57.140 56.287 -0.002 0.000 0.961 687 K CB -0.389 32.110 32.500 -0.001 0.000 0.741 687 K HN 0.537 nan 8.250 nan 0.000 0.452 688 K N 1.517 121.916 120.400 -0.002 0.000 2.057 688 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 688 K C 1.880 178.479 176.600 -0.002 0.000 1.050 688 K CA 1.162 57.447 56.287 -0.002 0.000 0.935 688 K CB 0.167 32.666 32.500 -0.002 0.000 0.715 688 K HN -0.122 nan 8.250 nan 0.000 0.439 689 K N 0.228 120.627 120.400 -0.002 0.000 2.097 689 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 689 K C 2.084 178.683 176.600 -0.002 0.000 1.049 689 K CA 1.227 57.512 56.287 -0.002 0.000 0.933 689 K CB -0.151 32.348 32.500 -0.002 0.000 0.717 689 K HN 0.251 nan 8.250 nan 0.000 0.442 690 A N 0.857 123.676 122.820 -0.002 0.000 1.969 690 A HA -0.081 4.238 4.320 -0.000 0.000 0.218 690 A C 2.336 179.918 177.584 -0.002 0.000 1.169 690 A CA 1.123 53.159 52.037 -0.002 0.000 0.635 690 A CB -0.341 18.658 19.000 -0.002 0.000 0.810 690 A HN 0.068 nan 8.150 nan 0.000 0.445 691 V N -0.249 119.664 119.914 -0.003 0.000 2.453 691 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 691 V C 2.559 178.651 176.094 -0.003 0.000 1.048 691 V CA 1.920 64.219 62.300 -0.003 0.000 1.049 691 V CB -0.764 31.058 31.823 -0.003 0.000 0.672 691 V HN 0.605 nan 8.190 nan 0.000 0.457 692 Q N -0.138 119.660 119.800 -0.003 0.000 2.020 692 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 692 Q C 2.549 178.547 176.000 -0.004 0.000 0.982 692 Q CA 1.627 57.428 55.803 -0.004 0.000 0.838 692 Q CB -0.204 28.532 28.738 -0.004 0.000 0.899 692 Q HN 0.573 nan 8.270 nan 0.000 0.423 693 R N 0.322 120.820 120.500 -0.004 0.000 2.091 693 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 693 R C 2.344 178.642 176.300 -0.003 0.000 1.136 693 R CA 1.107 57.205 56.100 -0.003 0.000 0.959 693 R CB -0.391 29.907 30.300 -0.003 0.000 0.856 693 R HN 0.243 nan 8.270 nan 0.000 0.437 694 L N 0.618 121.839 121.223 -0.003 0.000 2.093 694 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 694 L C 2.214 179.082 176.870 -0.004 0.000 1.085 694 L CA 1.344 56.182 54.840 -0.003 0.000 0.755 694 L CB -0.310 41.747 42.059 -0.003 0.000 0.904 694 L HN 0.225 nan 8.230 nan 0.000 0.435 695 E N -0.093 120.105 120.200 -0.004 0.000 2.106 695 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 695 E C 2.066 178.662 176.600 -0.005 0.000 0.984 695 E CA 1.049 57.447 56.400 -0.005 0.000 0.806 695 E CB 0.005 29.702 29.700 -0.005 0.000 0.750 695 E HN 0.520 nan 8.360 nan 0.000 0.458 696 E N 0.814 121.011 120.200 -0.005 0.000 2.072 696 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 696 E C 2.201 178.798 176.600 -0.005 0.000 0.985 696 E CA 0.818 57.215 56.400 -0.006 0.000 0.801 696 E CB -0.003 29.693 29.700 -0.006 0.000 0.750 696 E HN 0.276 nan 8.360 nan 0.000 0.452 697 Q N 0.372 120.170 119.800 -0.004 0.000 2.061 697 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 697 Q C 2.356 178.354 176.000 -0.003 0.000 0.984 697 Q CA 1.064 56.864 55.803 -0.003 0.000 0.846 697 Q CB -0.172 28.565 28.738 -0.003 0.000 0.902 697 Q HN 0.176 nan 8.270 nan 0.000 0.421 698 L N 0.102 121.322 121.223 -0.004 0.000 2.012 698 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 698 L C 2.170 179.038 176.870 -0.004 0.000 1.073 698 L CA 1.764 56.601 54.840 -0.004 0.000 0.748 698 L CB -0.450 41.606 42.059 -0.004 0.000 0.891 698 L HN 0.207 nan 8.230 nan 0.000 0.431 699 M N -0.251 119.345 119.600 -0.005 0.000 2.106 699 M HA -0.254 4.225 4.480 -0.000 0.000 0.259 699 M C 2.304 178.601 176.300 -0.005 0.000 1.068 699 M CA 1.792 57.088 55.300 -0.006 0.000 1.100 699 M CB -0.734 31.861 32.600 -0.008 0.000 1.351 699 M HN 0.255 nan 8.290 nan 0.000 0.404 700 K N -0.267 120.131 120.400 -0.004 0.000 2.057 700 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 700 K C 1.825 178.424 176.600 -0.002 0.000 1.049 700 K CA 1.268 57.553 56.287 -0.003 0.000 0.931 700 K CB -0.186 32.313 32.500 -0.002 0.000 0.714 700 K HN 0.312 nan 8.250 nan 0.000 0.440 701 L N 0.657 121.878 121.223 -0.002 0.000 2.056 701 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 701 L C 2.264 179.132 176.870 -0.002 0.000 1.078 701 L CA 1.415 56.253 54.840 -0.002 0.000 0.749 701 L CB -0.382 41.675 42.059 -0.002 0.000 0.901 701 L HN 0.255 nan 8.230 nan 0.000 0.433 702 E N -0.371 119.827 120.200 -0.003 0.000 2.110 702 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 702 E C 2.292 178.889 176.600 -0.004 0.000 0.988 702 E CA 1.057 57.455 56.400 -0.004 0.000 0.804 702 E CB -0.029 29.668 29.700 -0.005 0.000 0.745 702 E HN 0.246 nan 8.360 nan 0.000 0.458 703 V N 1.198 121.110 119.914 -0.003 0.000 2.358 703 V HA -0.264 3.855 4.120 -0.000 0.000 0.246 703 V C 2.162 178.256 176.094 0.000 0.000 1.047 703 V CA 1.748 64.047 62.300 -0.002 0.000 1.035 703 V CB -0.356 31.467 31.823 -0.000 0.000 0.658 703 V HN 0.249 nan 8.190 nan 0.000 0.452 704 Q N -0.422 119.379 119.800 0.001 0.000 2.167 704 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 704 Q C 2.372 178.372 176.000 0.000 0.000 0.970 704 Q CA 1.598 57.403 55.803 0.002 0.000 0.855 704 Q CB -0.348 28.392 28.738 0.002 0.000 0.911 704 Q HN 0.684 nan 8.270 nan 0.000 0.438 705 A N 0.275 123.094 122.820 -0.001 0.000 1.898 705 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 705 A C 2.206 179.788 177.584 -0.004 0.000 1.181 705 A CA 1.746 53.782 52.037 -0.003 0.000 0.620 705 A CB -0.745 18.253 19.000 -0.004 0.000 0.819 705 A HN 0.280 nan 8.150 nan 0.000 0.442 706 T N -0.209 114.343 114.554 -0.004 0.000 2.777 706 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 706 T C 1.730 176.427 174.700 -0.005 0.000 1.040 706 T CA 1.502 63.599 62.100 -0.006 0.000 1.141 706 T CB -0.381 68.483 68.868 -0.007 0.000 0.868 706 T HN 0.516 nan 8.240 nan 0.000 0.444 707 D N 0.956 121.355 120.400 -0.002 0.000 2.104 707 D HA -0.077 4.562 4.640 -0.000 0.000 0.194 707 D C 2.396 178.695 176.300 -0.000 0.000 0.994 707 D CA 1.156 55.156 54.000 -0.000 0.000 0.830 707 D CB -0.072 40.731 40.800 0.006 0.000 0.959 707 D HN 0.252 nan 8.370 nan 0.000 0.452 708 R N 0.085 120.585 120.500 -0.000 0.000 2.075 708 R HA -0.071 4.268 4.340 -0.000 0.000 0.232 708 R C 2.256 178.554 176.300 -0.003 0.000 1.126 708 R CA 0.905 57.005 56.100 -0.000 0.000 0.963 708 R CB -0.084 30.216 30.300 -0.001 0.000 0.858 708 R HN 0.262 nan 8.270 nan 0.000 0.435 709 E N 0.981 121.178 120.200 -0.005 0.000 2.031 709 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 709 E C 1.813 178.408 176.600 -0.009 0.000 0.994 709 E CA 1.368 57.764 56.400 -0.007 0.000 0.800 709 E CB -0.069 29.627 29.700 -0.008 0.000 0.752 709 E HN 0.452 nan 8.360 nan 0.000 0.447 710 E N 0.331 120.526 120.200 -0.009 0.000 2.268 710 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 710 E C 1.108 177.701 176.600 -0.011 0.000 0.995 710 E CA 0.461 56.853 56.400 -0.012 0.000 0.836 710 E CB -0.100 29.591 29.700 -0.015 0.000 0.763 710 E HN 0.037 nan 8.360 nan 0.000 0.491 711 N N 0.529 119.225 118.700 -0.007 0.000 2.273 711 N HA 0.022 4.762 4.740 -0.000 0.000 0.231 711 N C 0.956 176.465 175.510 -0.001 0.000 1.134 711 N CA -0.001 53.047 53.050 -0.003 0.000 0.856 711 N CB 0.310 38.798 38.487 0.002 0.000 1.068 711 N HN -0.023 nan 8.380 nan 0.000 0.510 712 K N -0.047 120.351 120.400 -0.004 0.000 2.025 712 K HA -0.031 4.288 4.320 -0.000 0.000 0.207 712 K C 0.740 177.338 176.600 -0.004 0.000 1.049 712 K CA 1.327 57.612 56.287 -0.005 0.000 0.933 712 K CB 0.186 32.681 32.500 -0.008 0.000 0.714 712 K HN 0.259 nan 8.250 nan 0.000 0.438 713 Q N 0.221 120.018 119.800 -0.005 0.000 2.189 713 Q HA 0.212 4.552 4.340 -0.000 0.000 0.221 713 Q C -0.966 175.036 176.000 0.003 0.000 0.848 713 Q CA -0.334 55.466 55.803 -0.004 0.000 1.007 713 Q CB 0.963 29.694 28.738 -0.011 0.000 1.116 713 Q HN 0.172 nan 8.270 nan 0.000 0.481 714 I N 0.423 120.998 120.570 0.008 0.000 2.509 714 I HA 0.519 4.688 4.170 -0.000 0.000 0.293 714 I C -0.384 175.750 176.117 0.028 0.000 1.020 714 I CA -1.117 60.195 61.300 0.020 0.000 1.088 714 I CB 1.666 39.673 38.000 0.012 0.000 1.267 714 I HN -0.135 nan 8.210 nan 0.000 0.430 715 A N 6.419 129.268 122.820 0.048 0.000 2.256 715 A HA 0.620 4.940 4.320 -0.000 0.000 0.317 715 A C 0.641 178.257 177.584 0.053 0.000 1.318 715 A CA -0.406 51.654 52.037 0.038 0.000 0.894 715 A CB 0.541 19.555 19.000 0.024 0.000 1.165 715 A HN 0.799 nan 8.150 nan 0.000 0.525 716 L N 2.813 124.061 121.223 0.042 0.000 2.270 716 L HA 0.045 4.384 4.340 -0.000 0.000 0.210 716 L C 2.665 179.569 176.870 0.057 0.000 1.104 716 L CA 1.025 55.898 54.840 0.056 0.000 0.804 716 L CB -0.332 41.759 42.059 0.053 0.000 0.937 716 L HN 0.854 nan 8.230 nan 0.000 0.450 717 G N 0.367 109.185 108.800 0.030 0.000 2.574 717 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.220 717 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.220 717 G C 1.554 176.456 174.900 0.004 0.000 1.173 717 G CA 1.734 46.847 45.100 0.022 0.000 0.772 717 G HN 0.282 nan 8.290 nan 0.000 0.585 718 T N 1.292 115.793 114.554 -0.087 0.000 2.708 718 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 718 T C 2.927 177.623 174.700 -0.007 0.000 1.037 718 T CA 2.123 64.130 62.100 -0.154 0.000 1.146 718 T CB -0.434 68.123 68.868 -0.519 0.000 0.865 718 T HN 0.565 nan 8.240 nan 0.000 0.435 719 S N 1.721 117.475 115.700 0.090 0.000 2.368 719 S HA -0.095 4.375 4.470 -0.000 0.000 0.224 719 S C 2.002 176.699 174.600 0.162 0.000 1.029 719 S CA 1.173 59.486 58.200 0.189 0.000 0.988 719 S CB -0.407 62.914 63.200 0.201 0.000 0.838 719 S HN 0.472 nan 8.310 nan 0.000 0.462 720 K N 0.750 121.242 120.400 0.154 0.000 2.044 720 K HA -0.061 4.259 4.320 -0.000 0.000 0.210 720 K C 1.888 178.669 176.600 0.301 0.000 1.049 720 K CA 1.640 58.060 56.287 0.222 0.000 0.927 720 K CB -0.258 32.377 32.500 0.226 0.000 0.713 720 K HN 0.382 nan 8.250 nan 0.000 0.443 721 L N 0.512 121.873 121.223 0.230 0.000 2.416 721 L HA 0.063 4.403 4.340 -0.000 0.000 0.216 721 L C 0.661 177.713 176.870 0.303 0.000 1.098 721 L CA 0.254 55.242 54.840 0.245 0.000 0.840 721 L CB 0.093 42.188 42.059 0.061 0.000 0.981 721 L HN 0.149 nan 8.230 nan 0.000 0.462 725 D N 6.015 126.006 120.400 -0.682 0.000 2.479 725 D HA 0.029 4.668 4.640 -0.000 0.000 0.257 725 D C -1.255 174.597 176.300 -0.747 0.000 1.230 725 D CA -1.007 52.316 54.000 -1.129 0.000 0.912 725 D CB 1.354 41.896 40.800 -0.430 0.000 1.130 725 D HN 0.281 nan 8.370 nan 0.000 0.515 726 P HA -0.170 nan 4.420 nan 0.000 0.219 726 P C 1.151 178.055 177.300 -0.661 0.000 1.146 726 P CA 0.910 63.429 63.100 -0.969 0.000 0.808 726 P CB 0.312 30.894 31.700 -1.864 0.000 0.779 727 R N -0.446 119.605 120.500 -0.748 0.000 2.120 727 R HA -0.051 4.289 4.340 -0.000 0.000 0.234 727 R C 2.595 178.691 176.300 -0.340 0.000 1.123 727 R CA 1.051 56.711 56.100 -0.733 0.000 0.975 727 R CB -0.806 28.703 30.300 -1.319 0.000 0.866 727 R HN 0.257 nan 8.270 nan 0.000 0.446 728 I N 0.020 120.512 120.570 -0.130 0.000 2.179 728 I HA -0.288 3.881 4.170 -0.000 0.000 0.242 728 I C 2.055 178.218 176.117 0.075 0.000 1.088 728 I CA 1.486 62.845 61.300 0.098 0.000 1.357 728 I CB -0.434 37.574 38.000 0.012 0.000 1.051 728 I HN 0.166 nan 8.210 nan 0.000 0.409 729 T N 0.331 114.879 114.554 -0.010 0.000 2.737 729 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 729 T C 2.033 176.767 174.700 0.056 0.000 1.038 729 T CA 1.207 63.343 62.100 0.059 0.000 1.144 729 T CB -0.266 68.577 68.868 -0.042 0.000 0.866 729 T HN 0.084 nan 8.240 nan 0.000 0.434 730 V N 1.761 121.637 119.914 -0.062 0.000 2.287 730 V HA -0.198 3.921 4.120 -0.000 0.000 0.248 730 V C 2.886 178.973 176.094 -0.011 0.000 1.053 730 V CA 1.789 64.041 62.300 -0.080 0.000 1.027 730 V CB -1.209 30.488 31.823 -0.211 0.000 0.646 730 V HN 0.533 nan 8.190 nan 0.000 0.447 731 A N -1.061 121.774 122.820 0.026 0.000 1.908 731 A HA -0.305 4.014 4.320 -0.000 0.000 0.218 731 A C 1.973 179.625 177.584 0.114 0.000 1.181 731 A CA 2.141 54.222 52.037 0.074 0.000 0.627 731 A CB -0.994 18.109 19.000 0.171 0.000 0.818 731 A HN 0.748 nan 8.150 nan 0.000 0.445 732 W N 0.105 121.419 121.300 0.025 0.000 2.358 732 W HA -0.238 4.422 4.660 0.000 0.000 0.303 732 W C 2.342 178.922 176.519 0.102 0.000 1.208 732 W CA 1.926 59.338 57.345 0.111 0.000 1.274 732 W CB -0.582 28.998 29.460 0.199 0.000 1.138 732 W HN 0.369 nan 8.180 nan 0.000 0.515 733 C N 0.735 120.185 119.300 0.249 0.000 2.432 733 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 733 C C 2.636 177.556 174.990 -0.117 0.000 1.249 733 C CA 1.555 60.585 59.018 0.020 0.000 1.725 733 C CB -1.218 26.546 27.740 0.041 0.000 2.028 733 C HN 0.316 nan 8.230 nan 0.000 0.477 734 K N 0.896 121.238 120.400 -0.096 0.000 2.057 734 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 734 K C 2.156 178.629 176.600 -0.212 0.000 1.049 734 K CA 1.317 57.527 56.287 -0.128 0.000 0.931 734 K CB -0.269 32.170 32.500 -0.101 0.000 0.714 734 K HN 0.491 nan 8.250 nan 0.000 0.440 735 K N 0.216 120.433 120.400 -0.305 0.000 2.026 735 K HA -0.169 4.150 4.320 -0.000 0.000 0.208 735 K C 1.293 177.449 176.600 -0.740 0.000 1.048 735 K CA 1.581 57.535 56.287 -0.555 0.000 0.929 735 K CB -0.050 32.039 32.500 -0.684 0.000 0.713 735 K HN 0.234 nan 8.250 nan 0.000 0.439 736 W N -0.068 120.995 121.300 -0.396 0.000 3.278 736 W HA 0.274 4.933 4.660 -0.001 0.000 0.308 736 W C 0.764 177.091 176.519 -0.320 0.000 1.253 736 W CA 0.095 57.186 57.345 -0.423 0.000 1.759 736 W CB 0.618 29.651 29.460 -0.710 0.000 1.093 736 W HN 0.363 nan 8.180 nan 0.000 0.648 737 G N 1.029 109.759 108.800 -0.117 0.000 2.198 737 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 737 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 737 G C -0.312 174.538 174.900 -0.083 0.000 1.042 737 G CA -0.037 45.012 45.100 -0.085 0.000 0.791 737 G HN 0.048 nan 8.290 nan 0.000 0.502 738 V N 2.543 122.383 119.914 -0.123 0.000 2.368 738 V HA 0.366 4.486 4.120 -0.000 0.000 0.266 738 V C -1.156 174.902 176.094 -0.059 0.000 1.045 738 V CA -1.535 60.709 62.300 -0.094 0.000 0.899 738 V CB 1.308 33.055 31.823 -0.127 0.000 1.006 738 V HN 0.288 nan 8.190 nan 0.000 0.470 739 P HA 0.024 nan 4.420 nan 0.000 0.263 739 P C 0.934 178.206 177.300 -0.047 0.000 1.195 739 P CA 0.024 63.101 63.100 -0.039 0.000 0.762 739 P CB 1.006 32.689 31.700 -0.027 0.000 0.799 740 I N 3.949 124.490 120.570 -0.048 0.000 2.399 740 I HA -0.275 3.895 4.170 -0.000 0.000 0.254 740 I C 2.075 178.161 176.117 -0.051 0.000 1.146 740 I CA 1.565 62.825 61.300 -0.067 0.000 1.412 740 I CB -0.531 37.457 38.000 -0.020 0.000 1.076 740 I HN 0.407 nan 8.210 nan 0.000 0.432 741 E N -0.123 120.067 120.200 -0.017 0.000 2.338 741 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 741 E C 1.535 178.123 176.600 -0.020 0.000 1.007 741 E CA 0.718 57.120 56.400 0.003 0.000 0.849 741 E CB -0.445 29.260 29.700 0.009 0.000 0.774 741 E HN 0.445 nan 8.360 nan 0.000 0.506 742 K N 0.295 120.664 120.400 -0.052 0.000 2.296 742 K HA 0.074 4.393 4.320 -0.000 0.000 0.200 742 K C 1.888 178.415 176.600 -0.122 0.000 1.048 742 K CA 0.357 56.607 56.287 -0.061 0.000 0.966 742 K CB 0.264 32.736 32.500 -0.047 0.000 0.754 742 K HN 0.250 nan 8.250 nan 0.000 0.466 743 I N -0.796 119.642 120.570 -0.219 0.000 3.039 743 I HA 0.004 4.173 4.170 -0.000 0.000 0.270 743 I C 0.184 176.159 176.117 -0.238 0.000 1.150 743 I CA 0.389 61.442 61.300 -0.412 0.000 1.448 743 I CB -0.275 37.221 38.000 -0.840 0.000 1.197 743 I HN -0.140 nan 8.210 nan 0.000 0.450 744 Y N 2.660 122.926 120.300 -0.057 0.000 2.364 744 Y HA 0.323 4.873 4.550 -0.000 0.000 0.340 744 Y C 0.597 176.488 175.900 -0.015 0.000 0.975 744 Y CA -2.262 55.832 58.100 -0.010 0.000 1.089 744 Y CB 0.486 38.962 38.460 0.027 0.000 1.192 744 Y HN 0.185 nan 8.280 nan 0.000 0.454 745 N N 1.575 120.368 118.700 0.155 0.000 2.322 745 N HA 0.074 4.814 4.740 -0.000 0.000 0.270 745 N C 1.193 176.734 175.510 0.051 0.000 1.286 745 N CA -0.492 52.603 53.050 0.074 0.000 0.948 745 N CB 0.604 39.119 38.487 0.046 0.000 1.164 745 N HN 0.518 nan 8.380 nan 0.000 0.551 746 K N -0.786 119.633 120.400 0.031 0.000 2.034 746 K HA -0.248 4.072 4.320 -0.000 0.000 0.214 746 K C 1.649 178.247 176.600 -0.004 0.000 1.051 746 K CA 2.477 58.777 56.287 0.021 0.000 0.931 746 K CB -1.047 31.468 32.500 0.024 0.000 0.715 746 K HN 0.794 nan 8.250 nan 0.000 0.446 747 T N -0.225 114.317 114.554 -0.020 0.000 2.788 747 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 747 T C 1.935 176.555 174.700 -0.132 0.000 1.044 747 T CA 1.703 63.771 62.100 -0.054 0.000 1.139 747 T CB -0.052 68.787 68.868 -0.048 0.000 0.867 747 T HN 0.446 nan 8.240 nan 0.000 0.454 748 Q N -0.265 119.442 119.800 -0.155 0.000 2.172 748 Q HA 0.113 4.453 4.340 -0.000 0.000 0.200 748 Q C 2.594 178.384 176.000 -0.349 0.000 0.964 748 Q CA 1.050 56.648 55.803 -0.341 0.000 0.855 748 Q CB -0.091 28.511 28.738 -0.226 0.000 0.918 748 Q HN 0.441 nan 8.270 nan 0.000 0.444 749 R N 0.602 121.031 120.500 -0.119 0.000 2.115 749 R HA -0.122 4.218 4.340 -0.000 0.000 0.230 749 R C 1.676 177.941 176.300 -0.058 0.000 1.111 749 R CA 1.208 57.284 56.100 -0.041 0.000 0.976 749 R CB 0.205 30.524 30.300 0.032 0.000 0.870 749 R HN 0.281 nan 8.270 nan 0.000 0.445 750 E N -0.297 119.868 120.200 -0.058 0.000 2.076 750 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 750 E C 1.718 178.313 176.600 -0.007 0.000 0.979 750 E CA 0.812 57.213 56.400 0.002 0.000 0.807 750 E CB 0.082 29.796 29.700 0.024 0.000 0.761 750 E HN 0.153 nan 8.360 nan 0.000 0.454 751 K N 0.274 120.580 120.400 -0.156 0.000 2.097 751 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 751 K C 0.621 177.167 176.600 -0.090 0.000 1.049 751 K CA 1.025 57.190 56.287 -0.203 0.000 0.933 751 K CB 0.069 32.241 32.500 -0.548 0.000 0.717 751 K HN 0.044 nan 8.250 nan 0.000 0.442 752 F N 0.406 120.223 119.950 -0.221 0.000 2.668 752 F HA 0.331 4.857 4.527 -0.001 0.000 0.297 752 F C 1.512 176.935 175.800 -0.628 0.000 1.124 752 F CA -0.594 57.084 58.000 -0.536 0.000 1.353 752 F CB -0.293 38.288 39.000 -0.699 0.000 0.992 752 F HN 0.034 nan 8.300 nan 0.000 0.524 753 A N 1.629 124.335 122.820 -0.189 0.000 1.917 753 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 753 A C 2.191 179.249 177.584 -0.876 0.000 1.182 753 A CA 1.829 53.686 52.037 -0.299 0.000 0.633 753 A CB -1.238 17.768 19.000 0.009 0.000 0.819 753 A HN 0.674 nan 8.150 nan 0.000 0.448 754 W N -0.579 120.011 121.300 -1.184 0.000 2.338 754 W HA -0.112 4.548 4.660 -0.001 0.000 0.304 754 W C 1.960 177.663 176.519 -1.360 0.000 1.212 754 W CA 1.478 57.602 57.345 -2.035 0.000 1.264 754 W CB -1.298 27.328 29.460 -1.389 0.000 1.142 754 W HN 0.391 nan 8.180 nan 0.000 0.512 755 A N 1.533 123.357 122.820 -1.660 0.000 1.929 755 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 755 A C 2.196 179.286 177.584 -0.825 0.000 1.176 755 A CA 1.796 52.975 52.037 -1.430 0.000 0.628 755 A CB -0.960 16.972 19.000 -1.779 0.000 0.816 755 A HN 0.325 nan 8.150 nan 0.000 0.444 756 I N -0.328 119.848 120.570 -0.658 0.000 2.286 756 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 756 I C 2.215 178.137 176.117 -0.325 0.000 1.115 756 I CA 2.009 63.083 61.300 -0.378 0.000 1.392 756 I CB -0.302 37.556 38.000 -0.237 0.000 1.065 756 I HN 0.429 nan 8.210 nan 0.000 0.418 757 D N 0.361 120.511 120.400 -0.416 0.000 2.162 757 D HA -0.111 4.529 4.640 -0.000 0.000 0.205 757 D C 1.409 177.566 176.300 -0.238 0.000 0.964 757 D CA 0.605 54.459 54.000 -0.244 0.000 0.847 757 D CB 0.199 40.940 40.800 -0.099 0.000 0.988 757 D HN -0.019 nan 8.370 nan 0.000 0.480 758 M N 1.084 120.423 119.600 -0.435 0.000 3.145 758 M HA 0.548 5.027 4.480 -0.000 0.000 0.254 758 M C -1.629 174.486 176.300 -0.308 0.000 1.264 758 M CA -0.284 54.830 55.300 -0.310 0.000 1.293 758 M CB 0.189 32.563 32.600 -0.375 0.000 1.170 758 M HN 0.064 nan 8.290 nan 0.000 0.572 759 A N 2.850 125.537 122.820 -0.222 0.000 2.483 759 A HA 0.465 4.784 4.320 -0.000 0.000 0.315 759 A C -1.476 176.046 177.584 -0.102 0.000 1.027 759 A CA -0.905 51.015 52.037 -0.196 0.000 0.996 759 A CB 0.580 19.340 19.000 -0.400 0.000 1.288 759 A HN 0.767 nan 8.150 nan 0.000 0.371 760 D N 1.519 121.913 120.400 -0.011 0.000 2.478 760 D HA 0.465 5.105 4.640 -0.000 0.000 0.263 760 D C 1.209 177.515 176.300 0.009 0.000 1.153 760 D CA 0.005 54.000 54.000 -0.009 0.000 1.038 760 D CB 0.556 41.360 40.800 0.005 0.000 1.120 760 D HN 0.452 nan 8.370 nan 0.000 0.564 761 E N 0.054 120.236 120.200 -0.030 0.000 2.333 761 E HA -0.205 4.145 4.350 -0.000 0.000 0.198 761 E C -0.136 176.451 176.600 -0.021 0.000 1.007 761 E CA 1.022 57.389 56.400 -0.055 0.000 0.845 761 E CB -0.449 29.172 29.700 -0.132 0.000 0.766 761 E HN 0.502 nan 8.360 nan 0.000 0.507 762 D N 0.088 120.494 120.400 0.011 0.000 2.342 762 D HA -0.017 4.622 4.640 -0.000 0.000 0.221 762 D C -0.131 176.201 176.300 0.053 0.000 1.101 762 D CA -0.293 53.715 54.000 0.015 0.000 0.837 762 D CB -0.521 40.277 40.800 -0.004 0.000 0.938 762 D HN 0.194 nan 8.370 nan 0.000 0.508 763 Y N 2.387 122.687 120.300 -0.000 0.000 2.620 763 Y HA 0.048 4.597 4.550 -0.001 0.000 0.330 763 Y C 0.115 176.048 175.900 0.055 0.000 1.186 763 Y CA 0.304 58.419 58.100 0.025 0.000 1.467 763 Y CB 0.473 38.940 38.460 0.013 0.000 1.262 763 Y HN -0.202 nan 8.280 nan 0.000 0.550 764 E N 7.065 126.790 120.200 -0.792 0.000 2.218 764 E HA 0.125 4.475 4.350 -0.000 0.000 0.263 764 E C -1.153 175.033 176.600 -0.690 0.000 0.879 764 E CA -0.814 55.287 56.400 -0.499 0.000 0.762 764 E CB 1.436 31.002 29.700 -0.223 0.000 1.166 764 E HN 0.624 nan 8.360 nan 0.000 0.415 765 F N 0.000 119.697 119.950 -0.422 0.000 2.286 765 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 765 F CA 0.000 57.924 58.000 -0.127 0.000 1.383 765 F CB 0.000 39.056 39.000 0.093 0.000 1.145 765 F HN 0.000 nan 8.300 nan 0.000 0.574