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 3ml6_1_E DATA FIRST_RESID 421 DATA SEQUENCE MDMASVTKAM AAPESGLEVR DRMWLKITIP NAFLGSDVVD WLYHHVEGFP DATA SEQUENCE ERREARKYAS GLLKAGLIRH TVNKITFSEQ CYYVFGDLSG XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXPPPYHE LEFGGSGGSR DATA SEQUENCE NELFLDVLES VNLLMSPQGQ VLSAHVSGRV VMKSYLSGMP ECKFGMNDXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXDCTFHQ CVRLSXXXXE RSISFIPPDG DATA SEQUENCE EFELMRYRTT KDIILPFRVI PLVREVGRTK LEVKVVIKSN FKPSLLAQKI DATA SEQUENCE EVRIPTPLNT SGVQVICMKG KAKYKASENA IVWKIKRMAG MKESQISAEI DATA SEQUENCE ELLPTNXXXK WARPPISMNF EVPFAPSGLK VRYLKVFEPK LNYSDHDVIK DATA SEQUENCE WVRYIGRSGI YETRC 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 421 M HA 0.000 nan 4.480 nan 0.000 0.227 421 M C 0.000 176.303 176.300 0.004 0.000 1.140 421 M CA 0.000 55.288 55.300 -0.019 0.000 0.988 421 M CB 0.000 32.602 32.600 0.003 0.000 1.302 422 D N 0.504 120.925 120.400 0.035 0.000 2.313 422 D HA 0.428 5.068 4.640 0.000 0.000 0.247 422 D C 0.730 177.103 176.300 0.122 0.000 1.094 422 D CA -0.070 53.967 54.000 0.062 0.000 0.925 422 D CB 1.078 41.905 40.800 0.045 0.000 1.188 422 D HN 0.593 nan 8.370 nan 0.000 0.430 423 M N 2.745 122.445 119.600 0.167 0.000 2.065 423 M HA -0.123 4.357 4.480 0.000 0.000 0.259 423 M C 2.183 178.569 176.300 0.144 0.000 1.069 423 M CA 2.128 57.578 55.300 0.251 0.000 1.110 423 M CB -0.715 31.998 32.600 0.189 0.000 1.328 423 M HN 0.537 nan 8.290 nan 0.000 0.405 424 A N 0.241 123.108 122.820 0.079 0.000 1.903 424 A HA -0.228 4.092 4.320 0.000 0.000 0.219 424 A C 2.361 179.965 177.584 0.034 0.000 1.191 424 A CA 2.599 54.658 52.037 0.036 0.000 0.638 424 A CB -1.197 17.815 19.000 0.020 0.000 0.823 424 A HN 0.546 nan 8.150 nan 0.000 0.451 425 S N -0.275 115.457 115.700 0.054 0.000 2.382 425 S HA -0.124 4.346 4.470 0.000 0.000 0.228 425 S C 1.873 176.529 174.600 0.094 0.000 1.027 425 S CA 1.411 59.643 58.200 0.053 0.000 0.991 425 S CB -0.771 62.461 63.200 0.053 0.000 0.823 425 S HN 0.418 nan 8.310 nan 0.000 0.469 426 V N 2.896 122.905 119.914 0.159 0.000 2.255 426 V HA -0.242 3.878 4.120 0.000 0.000 0.247 426 V C 3.022 179.240 176.094 0.206 0.000 1.051 426 V CA 2.190 64.651 62.300 0.269 0.000 1.018 426 V CB -2.146 29.930 31.823 0.422 0.000 0.641 426 V HN 0.764 nan 8.190 nan 0.000 0.445 427 T N -1.088 113.522 114.554 0.093 0.000 2.684 427 T HA -0.330 4.020 4.350 0.000 0.000 0.267 427 T C 1.867 176.470 174.700 -0.162 0.000 1.036 427 T CA 1.929 64.010 62.100 -0.032 0.000 1.148 427 T CB -0.541 68.319 68.868 -0.014 0.000 0.863 427 T HN 0.420 nan 8.240 nan 0.000 0.436 428 K N 1.131 121.456 120.400 -0.126 0.000 2.286 428 K HA -0.009 4.311 4.320 0.000 0.000 0.203 428 K C 2.419 178.953 176.600 -0.111 0.000 1.045 428 K CA 0.990 57.176 56.287 -0.167 0.000 0.935 428 K CB -0.502 31.947 32.500 -0.084 0.000 0.737 428 K HN 0.556 nan 8.250 nan 0.000 0.460 429 A N 0.739 123.556 122.820 -0.005 0.000 1.872 429 A HA -0.147 4.173 4.320 0.000 0.000 0.214 429 A C 2.008 179.600 177.584 0.013 0.000 1.187 429 A CA 1.410 53.525 52.037 0.130 0.000 0.614 429 A CB -0.368 18.887 19.000 0.425 0.000 0.826 429 A HN 0.263 nan 8.150 nan 0.000 0.442 430 M N 0.032 119.425 119.600 -0.344 0.000 2.213 430 M HA -0.101 4.379 4.480 0.000 0.000 0.263 430 M C 2.406 178.550 176.300 -0.260 0.000 1.062 430 M CA 1.248 56.165 55.300 -0.638 0.000 1.105 430 M CB -0.622 31.439 32.600 -0.898 0.000 1.385 430 M HN 0.426 nan 8.290 nan 0.000 0.417 431 A N 1.290 123.923 122.820 -0.311 0.000 1.869 431 A HA -0.031 4.289 4.320 0.000 0.000 0.218 431 A C 1.564 179.064 177.584 -0.141 0.000 1.203 431 A CA 1.581 53.404 52.037 -0.358 0.000 0.638 431 A CB -1.291 17.430 19.000 -0.464 0.000 0.831 431 A HN 0.544 nan 8.150 nan 0.000 0.450 432 A N 0.587 123.355 122.820 -0.085 0.000 2.583 432 A HA 0.279 4.599 4.320 0.000 0.000 0.249 432 A C -0.449 177.139 177.584 0.006 0.000 1.035 432 A CA -0.030 51.992 52.037 -0.025 0.000 0.777 432 A CB -0.215 18.796 19.000 0.019 0.000 0.942 432 A HN 0.450 nan 8.150 nan 0.000 0.516 433 P HA -0.167 nan 4.420 nan 0.000 0.223 433 P C 0.663 177.995 177.300 0.054 0.000 1.144 433 P CA 1.423 64.546 63.100 0.037 0.000 0.783 433 P CB 0.265 31.983 31.700 0.030 0.000 0.771 434 E N -0.156 120.078 120.200 0.057 0.000 2.318 434 E HA 0.012 4.363 4.350 0.000 0.000 0.193 434 E C 1.236 177.908 176.600 0.120 0.000 0.998 434 E CA -0.144 56.301 56.400 0.075 0.000 0.859 434 E CB -0.027 29.709 29.700 0.060 0.000 0.812 434 E HN 0.166 nan 8.360 nan 0.000 0.492 435 S N -0.201 115.585 115.700 0.143 0.000 2.564 435 S HA -0.027 4.443 4.470 0.000 0.000 0.263 435 S C 1.488 176.278 174.600 0.316 0.000 1.378 435 S CA 0.320 58.682 58.200 0.270 0.000 0.996 435 S CB 1.011 64.350 63.200 0.232 0.000 0.881 435 S HN 0.234 nan 8.310 nan 0.000 0.555 436 G N 1.583 110.755 108.800 0.620 0.000 2.459 436 G HA2 -0.107 3.853 3.960 0.000 0.000 0.217 436 G HA3 -0.107 3.853 3.960 0.000 0.000 0.217 436 G C 0.632 175.736 174.900 0.341 0.000 1.183 436 G CA 0.696 46.183 45.100 0.644 0.000 0.776 436 G HN 0.794 nan 8.290 nan 0.000 0.552 437 L N 1.502 122.793 121.223 0.112 0.000 2.706 437 L HA 0.046 4.386 4.340 0.000 0.000 0.282 437 L C 0.621 177.475 176.870 -0.026 0.000 1.219 437 L CA 0.020 54.779 54.840 -0.135 0.000 0.935 437 L CB 0.056 41.773 42.059 -0.569 0.000 1.204 437 L HN 0.358 nan 8.230 nan 0.000 0.491 438 E N 4.250 124.476 120.200 0.043 0.000 2.259 438 E HA 0.361 4.711 4.350 0.000 0.000 0.281 438 E C -1.445 175.224 176.600 0.116 0.000 1.037 438 E CA -0.488 55.962 56.400 0.084 0.000 0.854 438 E CB 0.814 30.575 29.700 0.102 0.000 1.051 438 E HN 0.517 nan 8.360 nan 0.000 0.409 439 V N 6.546 126.535 119.914 0.124 0.000 2.462 439 V HA 0.396 4.516 4.120 0.000 0.000 0.288 439 V C -0.420 175.747 176.094 0.123 0.000 1.020 439 V CA -0.658 61.750 62.300 0.179 0.000 0.857 439 V CB 1.240 33.197 31.823 0.222 0.000 1.013 439 V HN 0.746 nan 8.190 nan 0.000 0.431 440 R N 1.752 122.299 120.500 0.078 0.000 2.869 440 R HA 0.688 5.029 4.340 0.000 0.000 0.263 440 R C -1.437 174.834 176.300 -0.049 0.000 1.066 440 R CA -1.085 55.032 56.100 0.029 0.000 0.960 440 R CB 1.393 31.711 30.300 0.030 0.000 1.221 440 R HN 0.328 nan 8.270 nan 0.000 0.474 441 D N 1.798 122.163 120.400 -0.058 0.000 2.358 441 D HA 0.138 4.778 4.640 0.000 0.000 0.258 441 D C -0.275 175.920 176.300 -0.175 0.000 1.223 441 D CA 0.150 54.077 54.000 -0.122 0.000 0.886 441 D CB 0.753 41.493 40.800 -0.099 0.000 1.120 441 D HN 0.226 nan 8.370 nan 0.000 0.482 442 R N 2.027 122.346 120.500 -0.302 0.000 2.720 442 R HA 0.539 4.880 4.340 0.000 0.000 0.272 442 R C -0.053 176.100 176.300 -0.247 0.000 0.991 442 R CA -0.823 55.067 56.100 -0.351 0.000 1.010 442 R CB 1.725 31.500 30.300 -0.874 0.000 1.141 442 R HN 0.398 nan 8.270 nan 0.000 0.494 443 M N 2.083 121.614 119.600 -0.114 0.000 2.085 443 M HA 0.311 4.792 4.480 0.000 0.000 0.309 443 M C -1.580 174.756 176.300 0.060 0.000 0.947 443 M CA -0.379 54.887 55.300 -0.056 0.000 0.918 443 M CB 1.536 34.094 32.600 -0.070 0.000 1.504 443 M HN 0.520 nan 8.290 nan 0.000 0.420 444 W N 7.839 129.055 121.300 -0.140 0.000 2.475 444 W HA 0.415 5.075 4.660 0.000 0.000 0.317 444 W C -0.324 176.152 176.519 -0.071 0.000 1.046 444 W CA -0.390 56.911 57.345 -0.073 0.000 1.215 444 W CB 1.060 30.485 29.460 -0.059 0.000 1.335 444 W HN 0.755 nan 8.180 nan 0.000 0.471 445 L N 2.727 123.796 121.223 -0.257 0.000 6.706 445 L HA -0.497 3.844 4.340 0.000 0.000 0.053 445 L C 1.692 178.512 176.870 -0.084 0.000 1.950 445 L CA 1.433 56.185 54.840 -0.147 0.000 1.620 445 L CB -0.965 41.087 42.059 -0.010 0.000 2.781 445 L HN 0.498 nan 8.230 nan 0.000 1.068 446 K N -0.253 120.118 120.400 -0.048 0.000 2.076 446 K HA 0.158 4.478 4.320 0.000 0.000 0.204 446 K C 0.892 177.470 176.600 -0.037 0.000 1.051 446 K CA 0.902 57.159 56.287 -0.050 0.000 0.949 446 K CB -0.073 32.392 32.500 -0.059 0.000 0.726 446 K HN 0.247 nan 8.250 nan 0.000 0.443 447 I N 1.399 121.958 120.570 -0.018 0.000 3.466 447 I HA -0.105 4.065 4.170 0.000 0.000 0.272 447 I C -0.032 176.033 176.117 -0.087 0.000 1.305 447 I CA 0.680 61.954 61.300 -0.043 0.000 1.307 447 I CB 0.187 38.157 38.000 -0.050 0.000 1.365 447 I HN 0.054 nan 8.210 nan 0.000 0.629 448 T N 3.696 118.153 114.554 -0.161 0.000 3.176 448 T HA 0.450 4.800 4.350 0.000 0.000 0.337 448 T C -0.236 174.274 174.700 -0.317 0.000 0.957 448 T CA -0.485 61.499 62.100 -0.192 0.000 1.092 448 T CB 0.233 69.013 68.868 -0.146 0.000 1.018 448 T HN 0.253 nan 8.240 nan 0.000 0.473 449 I N 4.971 125.285 120.570 -0.427 0.000 2.598 449 I HA 0.213 4.384 4.170 0.000 0.000 0.284 449 I C -1.803 174.109 176.117 -0.342 0.000 1.140 449 I CA -1.904 59.044 61.300 -0.585 0.000 1.420 449 I CB 0.338 37.968 38.000 -0.618 0.000 1.387 449 I HN 0.249 nan 8.210 nan 0.000 0.553 450 P HA 0.046 nan 4.420 nan 0.000 0.280 450 P C -0.742 176.539 177.300 -0.033 0.000 1.244 450 P CA -0.235 62.823 63.100 -0.070 0.000 0.784 450 P CB 0.713 32.429 31.700 0.026 0.000 0.913 451 N N 0.324 119.024 118.700 -0.001 0.000 2.652 451 N HA -0.178 4.562 4.740 0.000 0.000 0.281 451 N C -0.221 175.282 175.510 -0.012 0.000 1.084 451 N CA 1.196 54.278 53.050 0.054 0.000 0.775 451 N CB -1.011 37.569 38.487 0.154 0.000 0.923 451 N HN 0.637 nan 8.380 nan 0.000 0.558 452 A N 0.945 123.681 122.820 -0.140 0.000 2.380 452 A HA 0.876 5.196 4.320 0.000 0.000 0.315 452 A C -0.301 177.155 177.584 -0.214 0.000 1.101 452 A CA -0.778 51.040 52.037 -0.365 0.000 0.771 452 A CB 1.209 19.918 19.000 -0.485 0.000 1.287 452 A HN 0.324 nan 8.150 nan 0.000 0.436 453 F N -0.344 119.603 119.950 -0.004 0.000 2.603 453 F HA 0.753 5.280 4.527 0.000 0.000 0.317 453 F C -0.896 175.027 175.800 0.205 0.000 1.066 453 F CA -1.619 56.428 58.000 0.078 0.000 0.941 453 F CB 0.927 39.888 39.000 -0.066 0.000 1.291 453 F HN 0.435 nan 8.300 nan 0.000 0.472 454 L N 2.303 123.734 121.223 0.348 0.000 2.397 454 L HA 0.530 4.870 4.340 0.000 0.000 0.271 454 L C 1.376 178.411 176.870 0.275 0.000 1.148 454 L CA 0.384 55.302 54.840 0.130 0.000 0.825 454 L CB 1.200 43.264 42.059 0.010 0.000 1.117 454 L HN 0.943 nan 8.230 nan 0.000 0.456 455 G N 2.013 110.970 108.800 0.262 0.000 2.527 455 G HA2 -0.170 3.790 3.960 0.000 0.000 0.219 455 G HA3 -0.170 3.790 3.960 0.000 0.000 0.219 455 G C 1.100 176.184 174.900 0.306 0.000 1.117 455 G CA 0.939 46.353 45.100 0.524 0.000 0.759 455 G HN 0.716 nan 8.290 nan 0.000 0.556 456 S N 1.014 116.805 115.700 0.152 0.000 2.341 456 S HA -0.037 4.433 4.470 0.000 0.000 0.216 456 S C 1.968 176.633 174.600 0.108 0.000 1.034 456 S CA 0.871 59.123 58.200 0.087 0.000 0.964 456 S CB -0.177 63.040 63.200 0.029 0.000 0.882 456 S HN 0.459 nan 8.310 nan 0.000 0.469 457 D N 1.488 121.955 120.400 0.112 0.000 2.280 457 D HA -0.099 4.541 4.640 0.000 0.000 0.206 457 D C 1.813 178.171 176.300 0.097 0.000 0.988 457 D CA 0.563 54.624 54.000 0.101 0.000 0.886 457 D CB -0.570 40.295 40.800 0.108 0.000 0.914 457 D HN 0.233 nan 8.370 nan 0.000 0.473 458 V N 0.567 120.545 119.914 0.106 0.000 2.379 458 V HA -0.184 3.936 4.120 0.000 0.000 0.245 458 V C 2.407 178.581 176.094 0.134 0.000 1.044 458 V CA 1.013 63.343 62.300 0.049 0.000 1.036 458 V CB 0.023 31.863 31.823 0.028 0.000 0.664 458 V HN 0.034 nan 8.190 nan 0.000 0.453 459 V N 0.473 120.474 119.914 0.146 0.000 2.515 459 V HA -0.170 3.950 4.120 0.000 0.000 0.250 459 V C 2.256 178.420 176.094 0.117 0.000 1.058 459 V CA 2.038 64.406 62.300 0.114 0.000 1.064 459 V CB -0.756 31.120 31.823 0.088 0.000 0.675 459 V HN 0.597 nan 8.190 nan 0.000 0.461 460 D N -0.634 119.840 120.400 0.123 0.000 2.088 460 D HA -0.253 4.387 4.640 0.000 0.000 0.196 460 D C 1.781 178.162 176.300 0.135 0.000 0.983 460 D CA 1.834 55.910 54.000 0.125 0.000 0.846 460 D CB -0.476 40.357 40.800 0.054 0.000 0.992 460 D HN 0.612 nan 8.370 nan 0.000 0.448 461 W N 1.870 123.076 121.300 -0.158 0.000 2.331 461 W HA -0.183 4.477 4.660 0.000 0.000 0.291 461 W C 2.263 178.639 176.519 -0.239 0.000 1.214 461 W CA 1.015 58.112 57.345 -0.413 0.000 1.228 461 W CB -0.295 28.921 29.460 -0.406 0.000 1.135 461 W HN -0.009 nan 8.180 nan 0.000 0.537 462 L N -0.305 121.122 121.223 0.341 0.000 2.027 462 L HA -0.212 4.129 4.340 0.000 0.000 0.206 462 L C 2.463 179.281 176.870 -0.086 0.000 1.074 462 L CA 1.951 56.948 54.840 0.262 0.000 0.745 462 L CB -0.784 41.376 42.059 0.169 0.000 0.898 462 L HN 0.181 nan 8.230 nan 0.000 0.433 463 Y N -1.094 119.086 120.300 -0.200 0.000 2.314 463 Y HA -0.160 4.390 4.550 0.000 0.000 0.294 463 Y C 2.409 178.309 175.900 0.000 0.000 1.119 463 Y CA 1.586 59.584 58.100 -0.170 0.000 1.179 463 Y CB -0.157 38.234 38.460 -0.114 0.000 1.025 463 Y HN 0.262 nan 8.280 nan 0.000 0.541 464 H N -1.099 117.889 119.070 -0.137 0.000 2.261 464 H HA -0.085 4.471 4.556 0.000 0.000 0.301 464 H C 1.953 177.223 175.328 -0.097 0.000 1.067 464 H CA 2.664 58.659 56.048 -0.088 0.000 1.297 464 H CB -0.299 29.548 29.762 0.141 0.000 1.377 464 H HN 0.511 nan 8.280 nan 0.000 0.492 465 H N -1.513 117.319 119.070 -0.396 0.000 2.525 465 H HA 0.169 4.726 4.556 0.000 0.000 0.275 465 H C 0.100 175.151 175.328 -0.462 0.000 0.984 465 H CA 0.061 55.795 56.048 -0.523 0.000 1.264 465 H CB 0.642 29.873 29.762 -0.885 0.000 1.432 465 H HN 0.020 nan 8.280 nan 0.000 0.549 466 V N 3.077 122.808 119.914 -0.306 0.000 2.385 466 V HA 0.055 4.175 4.120 0.000 0.000 0.269 466 V C -0.293 175.848 176.094 0.078 0.000 1.043 466 V CA -0.384 61.886 62.300 -0.050 0.000 0.906 466 V CB 1.055 33.023 31.823 0.243 0.000 0.995 466 V HN 0.305 nan 8.190 nan 0.000 0.467 467 E N 2.736 122.900 120.200 -0.060 0.000 2.242 467 E HA 0.714 5.064 4.350 0.000 0.000 0.275 467 E C 0.911 177.354 176.600 -0.263 0.000 1.002 467 E CA 0.165 56.489 56.400 -0.127 0.000 0.841 467 E CB 1.391 31.009 29.700 -0.136 0.000 1.109 467 E HN 0.842 nan 8.360 nan 0.000 0.394 468 G N 0.979 109.609 108.800 -0.282 0.000 2.164 468 G HA2 -0.180 3.780 3.960 0.000 0.000 0.154 468 G HA3 -0.180 3.780 3.960 0.000 0.000 0.154 468 G C -0.694 173.916 174.900 -0.483 0.000 1.014 468 G CA -0.831 44.033 45.100 -0.393 0.000 0.683 468 G HN 0.268 nan 8.290 nan 0.000 0.500 469 F N 1.731 121.666 119.950 -0.024 0.000 2.388 469 F HA 0.484 5.012 4.527 0.000 0.000 0.358 469 F C -0.198 175.737 175.800 0.224 0.000 1.122 469 F CA -1.990 56.081 58.000 0.119 0.000 1.056 469 F CB 1.806 40.964 39.000 0.263 0.000 1.155 469 F HN -0.098 nan 8.300 nan 0.000 0.461 470 P HA -0.110 nan 4.420 nan 0.000 0.213 470 P C 0.077 177.548 177.300 0.285 0.000 1.170 470 P CA 1.194 64.436 63.100 0.237 0.000 0.889 470 P CB 0.847 32.626 31.700 0.132 0.000 0.782 471 E N -1.491 118.809 120.200 0.166 0.000 2.378 471 E HA 0.211 4.561 4.350 0.000 0.000 0.265 471 E C 0.704 177.067 176.600 -0.395 0.000 0.932 471 E CA -0.829 55.503 56.400 -0.113 0.000 0.795 471 E CB 1.697 31.360 29.700 -0.061 0.000 1.296 471 E HN -0.309 nan 8.360 nan 0.000 0.438 472 R N 1.475 121.576 120.500 -0.666 0.000 2.316 472 R HA -0.015 4.326 4.340 0.000 0.000 0.202 472 R C 1.609 177.776 176.300 -0.222 0.000 1.029 472 R CA 0.786 56.537 56.100 -0.580 0.000 1.018 472 R CB -0.199 29.827 30.300 -0.455 0.000 0.888 472 R HN 0.472 nan 8.270 nan 0.000 0.471 473 R N 0.066 120.483 120.500 -0.137 0.000 2.240 473 R HA -0.006 4.334 4.340 0.000 0.000 0.203 473 R C 1.051 177.365 176.300 0.024 0.000 1.011 473 R CA 0.643 56.716 56.100 -0.045 0.000 1.007 473 R CB 0.293 30.576 30.300 -0.028 0.000 0.911 473 R HN 0.133 nan 8.270 nan 0.000 0.468 474 E N -0.236 120.000 120.200 0.061 0.000 2.216 474 E HA 0.029 4.379 4.350 0.000 0.000 0.192 474 E C 1.608 178.320 176.600 0.186 0.000 0.973 474 E CA 0.682 57.206 56.400 0.207 0.000 0.851 474 E CB 0.350 30.257 29.700 0.345 0.000 0.804 474 E HN 0.319 nan 8.360 nan 0.000 0.477 475 A N 1.529 124.289 122.820 -0.101 0.000 2.015 475 A HA -0.140 4.181 4.320 0.000 0.000 0.219 475 A C 2.128 179.657 177.584 -0.091 0.000 1.163 475 A CA 1.161 52.898 52.037 -0.500 0.000 0.646 475 A CB -0.323 18.456 19.000 -0.369 0.000 0.806 475 A HN 0.035 nan 8.150 nan 0.000 0.448 476 R N -0.743 119.773 120.500 0.027 0.000 2.140 476 R HA -0.044 4.296 4.340 0.000 0.000 0.213 476 R C 1.966 178.406 176.300 0.233 0.000 1.059 476 R CA 1.342 57.527 56.100 0.143 0.000 1.000 476 R CB -0.133 30.193 30.300 0.044 0.000 0.910 476 R HN 0.235 nan 8.270 nan 0.000 0.455 477 K N 0.157 120.672 120.400 0.192 0.000 2.148 477 K HA -0.178 4.142 4.320 0.000 0.000 0.204 477 K C 1.742 178.504 176.600 0.271 0.000 1.050 477 K CA 1.296 57.712 56.287 0.216 0.000 0.942 477 K CB -0.668 31.947 32.500 0.193 0.000 0.724 477 K HN 0.205 nan 8.250 nan 0.000 0.446 478 Y N 0.421 120.821 120.300 0.166 0.000 2.184 478 Y HA 0.009 4.559 4.550 0.000 0.000 0.290 478 Y C 1.945 177.883 175.900 0.063 0.000 1.129 478 Y CA 1.330 59.535 58.100 0.175 0.000 1.144 478 Y CB -0.881 37.780 38.460 0.335 0.000 0.995 478 Y HN 0.075 nan 8.280 nan 0.000 0.513 479 A N -0.881 121.917 122.820 -0.037 0.000 1.917 479 A HA -0.265 4.055 4.320 0.000 0.000 0.219 479 A C 2.563 179.784 177.584 -0.606 0.000 1.182 479 A CA 2.250 54.094 52.037 -0.321 0.000 0.633 479 A CB -1.475 17.522 19.000 -0.004 0.000 0.819 479 A HN 0.486 nan 8.150 nan 0.000 0.448 480 S N -0.863 114.743 115.700 -0.157 0.000 2.419 480 S HA -0.014 4.456 4.470 0.000 0.000 0.233 480 S C 1.909 176.418 174.600 -0.152 0.000 1.016 480 S CA 1.527 59.685 58.200 -0.070 0.000 0.974 480 S CB -0.557 62.849 63.200 0.344 0.000 0.786 480 S HN 0.731 nan 8.310 nan 0.000 0.492 481 G N 1.177 109.899 108.800 -0.130 0.000 2.394 481 G HA2 -0.038 3.922 3.960 0.000 0.000 0.215 481 G HA3 -0.038 3.922 3.960 0.000 0.000 0.215 481 G C 1.360 176.131 174.900 -0.215 0.000 1.165 481 G CA 0.519 45.559 45.100 -0.100 0.000 0.784 481 G HN 0.509 nan 8.290 nan 0.000 0.535 482 L N -0.296 120.685 121.223 -0.403 0.000 2.131 482 L HA 0.017 4.357 4.340 0.000 0.000 0.210 482 L C 2.669 179.351 176.870 -0.314 0.000 1.092 482 L CA 0.379 54.990 54.840 -0.381 0.000 0.759 482 L CB -0.240 41.525 42.059 -0.490 0.000 0.903 482 L HN 0.235 nan 8.230 nan 0.000 0.435 483 L N 0.018 120.998 121.223 -0.406 0.000 2.056 483 L HA -0.188 4.152 4.340 0.000 0.000 0.207 483 L C 2.483 179.261 176.870 -0.153 0.000 1.078 483 L CA 1.661 56.299 54.840 -0.337 0.000 0.749 483 L CB -0.227 41.572 42.059 -0.433 0.000 0.901 483 L HN 0.008 nan 8.230 nan 0.000 0.433 484 K N -0.240 120.090 120.400 -0.117 0.000 2.217 484 K HA 0.074 4.394 4.320 0.000 0.000 0.202 484 K C 1.921 178.492 176.600 -0.049 0.000 1.051 484 K CA 1.155 57.413 56.287 -0.050 0.000 0.952 484 K CB -0.253 32.234 32.500 -0.021 0.000 0.736 484 K HN 0.398 nan 8.250 nan 0.000 0.453 485 A N -0.725 122.050 122.820 -0.074 0.000 1.969 485 A HA 0.156 4.476 4.320 0.000 0.000 0.218 485 A C 1.800 179.357 177.584 -0.045 0.000 1.169 485 A CA 1.606 53.611 52.037 -0.054 0.000 0.635 485 A CB -0.583 18.375 19.000 -0.070 0.000 0.810 485 A HN 0.487 nan 8.150 nan 0.000 0.445 486 G N -1.350 107.413 108.800 -0.061 0.000 2.254 486 G HA2 -0.261 3.699 3.960 0.000 0.000 0.225 486 G HA3 -0.261 3.699 3.960 0.000 0.000 0.225 486 G C 0.956 175.843 174.900 -0.021 0.000 1.003 486 G CA 0.285 45.364 45.100 -0.036 0.000 0.622 486 G HN 0.487 nan 8.290 nan 0.000 0.507 487 L N 0.172 121.376 121.223 -0.032 0.000 2.263 487 L HA 0.096 4.436 4.340 0.000 0.000 0.216 487 L C 0.734 177.646 176.870 0.070 0.000 1.111 487 L CA 0.906 55.754 54.840 0.012 0.000 0.773 487 L CB -0.544 41.503 42.059 -0.021 0.000 0.906 487 L HN 0.218 nan 8.230 nan 0.000 0.439 488 I N -0.022 120.528 120.570 -0.032 0.000 2.512 488 I HA 0.334 4.504 4.170 0.000 0.000 0.287 488 I C 0.010 176.081 176.117 -0.076 0.000 1.069 488 I CA -0.349 60.920 61.300 -0.051 0.000 1.056 488 I CB 1.925 39.782 38.000 -0.238 0.000 1.229 488 I HN 0.041 nan 8.210 nan 0.000 0.429 489 R N 3.292 123.803 120.500 0.018 0.000 2.474 489 R HA 0.356 4.696 4.340 0.000 0.000 0.295 489 R C -0.197 176.222 176.300 0.198 0.000 0.980 489 R CA -0.862 55.274 56.100 0.061 0.000 0.934 489 R CB 1.439 31.757 30.300 0.029 0.000 1.101 489 R HN 0.451 nan 8.270 nan 0.000 0.469 490 H N 1.615 120.781 119.070 0.159 0.000 2.819 490 H HA 0.015 4.572 4.556 0.000 0.000 0.303 490 H C 0.527 175.859 175.328 0.007 0.000 1.058 490 H CA 0.526 56.700 56.048 0.209 0.000 1.471 490 H CB 1.124 30.983 29.762 0.161 0.000 1.480 490 H HN 0.588 nan 8.280 nan 0.000 0.517 491 T N 3.840 118.474 114.554 0.134 0.000 2.624 491 T HA -0.134 4.217 4.350 0.000 0.000 0.268 491 T C 0.784 175.576 174.700 0.153 0.000 1.041 491 T CA 1.915 64.092 62.100 0.128 0.000 1.159 491 T CB -0.128 68.706 68.868 -0.056 0.000 0.863 491 T HN 0.525 nan 8.240 nan 0.000 0.434 492 V N 0.064 120.055 119.914 0.129 0.000 2.540 492 V HA 0.611 4.731 4.120 0.000 0.000 0.302 492 V C -0.425 175.535 176.094 -0.223 0.000 1.035 492 V CA -1.615 60.664 62.300 -0.035 0.000 0.873 492 V CB 1.456 33.231 31.823 -0.081 0.000 0.992 492 V HN 0.079 nan 8.190 nan 0.000 0.428 493 N N 3.859 122.449 118.700 -0.184 0.000 2.068 493 N HA -0.034 4.706 4.740 0.000 0.000 0.290 493 N C -0.495 174.812 175.510 -0.337 0.000 1.372 493 N CA 1.121 54.038 53.050 -0.222 0.000 0.863 493 N CB -0.436 37.972 38.487 -0.132 0.000 1.174 493 N HN 0.945 nan 8.380 nan 0.000 0.494 494 K N 3.124 123.235 120.400 -0.481 0.000 2.557 494 K HA 0.198 4.519 4.320 0.000 0.000 0.257 494 K C 0.298 176.795 176.600 -0.172 0.000 0.933 494 K CA -0.705 55.331 56.287 -0.418 0.000 0.820 494 K CB 0.978 33.054 32.500 -0.707 0.000 1.330 494 K HN 0.202 nan 8.250 nan 0.000 0.432 495 I N 2.102 122.645 120.570 -0.044 0.000 2.296 495 I HA -0.053 4.117 4.170 0.000 0.000 0.242 495 I C 0.927 177.111 176.117 0.112 0.000 1.087 495 I CA 1.424 62.743 61.300 0.033 0.000 1.393 495 I CB 0.097 38.106 38.000 0.015 0.000 1.093 495 I HN 0.755 nan 8.210 nan 0.000 0.421 496 T N -0.420 114.204 114.554 0.117 0.000 2.919 496 T HA 0.085 4.435 4.350 0.000 0.000 0.302 496 T C -0.153 174.726 174.700 0.300 0.000 1.031 496 T CA -0.506 61.691 62.100 0.161 0.000 1.127 496 T CB 0.153 69.080 68.868 0.098 0.000 0.952 496 T HN 0.126 nan 8.240 nan 0.000 0.540 497 F N 4.417 124.433 119.950 0.110 0.000 2.468 497 F HA 0.457 4.984 4.527 0.000 0.000 0.356 497 F C 0.161 176.036 175.800 0.125 0.000 1.167 497 F CA -1.085 56.988 58.000 0.121 0.000 1.135 497 F CB -0.927 38.081 39.000 0.013 0.000 1.197 497 F HN 0.676 nan 8.300 nan 0.000 0.569 498 S N 4.533 120.351 115.700 0.196 0.000 2.669 498 S HA 0.227 4.698 4.470 0.000 0.000 0.270 498 S C 0.919 175.360 174.600 -0.264 0.000 1.225 498 S CA -0.610 57.533 58.200 -0.096 0.000 0.991 498 S CB 1.466 64.680 63.200 0.023 0.000 0.987 498 S HN 0.797 nan 8.310 nan 0.000 0.552 499 E N -0.353 119.695 120.200 -0.254 0.000 2.539 499 E HA 0.038 4.388 4.350 0.000 0.000 0.215 499 E C 0.459 177.002 176.600 -0.096 0.000 0.965 499 E CA 0.009 56.303 56.400 -0.177 0.000 1.019 499 E CB 0.327 29.885 29.700 -0.236 0.000 1.059 499 E HN 0.644 nan 8.360 nan 0.000 0.496 500 Q N 0.397 120.118 119.800 -0.132 0.000 2.225 500 Q HA 0.183 4.524 4.340 0.000 0.000 0.259 500 Q C -0.241 175.599 176.000 -0.266 0.000 0.872 500 Q CA -0.296 55.410 55.803 -0.161 0.000 1.042 500 Q CB 0.133 28.804 28.738 -0.110 0.000 1.142 500 Q HN 0.140 nan 8.270 nan 0.000 0.463 501 C N -1.774 117.312 119.300 -0.356 0.000 2.797 501 C HA 0.704 5.165 4.460 0.000 0.000 0.306 501 C C -0.360 174.170 174.990 -0.768 0.000 1.207 501 C CA -1.281 57.391 59.018 -0.577 0.000 1.507 501 C CB 0.151 27.603 27.740 -0.481 0.000 2.028 501 C HN 0.313 nan 8.230 nan 0.000 0.475 502 Y N 0.558 120.445 120.300 -0.687 0.000 2.357 502 Y HA 0.505 5.055 4.550 0.000 0.000 0.340 502 Y C 0.241 175.547 175.900 -0.991 0.000 1.260 502 Y CA 0.709 58.407 58.100 -0.670 0.000 1.425 502 Y CB 0.328 38.481 38.460 -0.512 0.000 1.326 502 Y HN 0.708 nan 8.280 nan 0.000 0.580 503 Y N -1.071 118.897 120.300 -0.553 0.000 2.615 503 Y HA 0.631 5.181 4.550 0.000 0.000 0.341 503 Y C -0.739 174.446 175.900 -1.191 0.000 1.089 503 Y CA -1.548 56.105 58.100 -0.744 0.000 1.049 503 Y CB 1.750 39.864 38.460 -0.576 0.000 1.296 503 Y HN 0.336 nan 8.280 nan 0.000 0.470 504 V N -1.390 118.271 119.914 -0.422 0.000 2.925 504 V HA 0.609 4.729 4.120 0.000 0.000 0.311 504 V C -0.705 175.396 176.094 0.012 0.000 1.104 504 V CA -1.387 60.753 62.300 -0.267 0.000 0.954 504 V CB 1.530 33.331 31.823 -0.037 0.000 1.022 504 V HN 0.536 nan 8.190 nan 0.000 0.427 505 F N 2.015 122.112 119.950 0.245 0.000 2.586 505 F HA 0.611 5.138 4.527 0.000 0.000 0.335 505 F C 1.481 177.321 175.800 0.065 0.000 1.210 505 F CA 1.568 59.664 58.000 0.159 0.000 1.359 505 F CB 0.466 39.538 39.000 0.119 0.000 1.142 505 F HN 0.940 nan 8.300 nan 0.000 0.606 506 G N -0.378 108.591 108.800 0.282 0.000 2.971 506 G HA2 0.280 4.240 3.960 0.000 0.000 0.235 506 G HA3 0.280 4.240 3.960 0.000 0.000 0.235 506 G C -1.470 173.486 174.900 0.092 0.000 1.351 506 G CA -0.586 44.590 45.100 0.127 0.000 1.039 506 G HN 0.499 nan 8.290 nan 0.000 0.563 507 D N 0.103 120.530 120.400 0.045 0.000 2.359 507 D HA 0.171 4.811 4.640 0.000 0.000 0.250 507 D C 1.509 177.813 176.300 0.007 0.000 1.264 507 D CA -0.113 53.903 54.000 0.027 0.000 0.911 507 D CB 0.264 41.074 40.800 0.017 0.000 1.056 507 D HN 0.168 nan 8.370 nan 0.000 0.499 508 L N 1.689 122.902 121.223 -0.018 0.000 2.492 508 L HA 0.084 4.424 4.340 0.000 0.000 0.223 508 L C 1.273 178.121 176.870 -0.036 0.000 1.132 508 L CA -0.006 54.803 54.840 -0.052 0.000 0.850 508 L CB -0.323 41.654 42.059 -0.136 0.000 0.966 508 L HN 0.209 nan 8.230 nan 0.000 0.454 509 S N -0.216 115.475 115.700 -0.016 0.000 2.598 509 S HA 0.425 4.895 4.470 0.000 0.000 0.267 509 S C 0.773 175.370 174.600 -0.005 0.000 1.189 509 S CA -0.197 57.997 58.200 -0.009 0.000 1.010 509 S CB 0.720 63.925 63.200 0.008 0.000 1.084 509 S HN 0.290 nan 8.310 nan 0.000 0.541 1156 P HA 0.117 nan 4.420 nan 0.000 0.256 1156 P C -1.754 175.481 177.300 -0.107 0.000 1.173 1156 P CA -0.220 62.847 63.100 -0.055 0.000 0.768 1156 P CB -0.096 31.576 31.700 -0.046 0.000 0.758 1157 P HA 0.062 nan 4.420 nan 0.000 0.270 1157 P C -0.232 176.986 177.300 -0.137 0.000 1.223 1157 P CA -0.042 62.996 63.100 -0.104 0.000 0.785 1157 P CB 0.679 32.326 31.700 -0.088 0.000 0.923 1158 Y N -0.118 120.164 120.300 -0.031 0.000 2.370 1158 Y HA 0.325 4.875 4.550 0.000 0.000 0.377 1158 Y C 1.231 177.078 175.900 -0.089 0.000 1.371 1158 Y CA 0.387 58.493 58.100 0.009 0.000 1.756 1158 Y CB 0.497 38.981 38.460 0.039 0.000 1.693 1158 Y HN 0.429 nan 8.280 nan 0.000 0.595 1159 H N -0.579 118.670 119.070 0.298 0.000 3.094 1159 H HA 0.114 4.670 4.556 0.001 0.000 0.335 1159 H C -1.472 173.914 175.328 0.098 0.000 1.254 1159 H CA -0.976 55.162 56.048 0.149 0.000 1.240 1159 H CB 1.741 31.572 29.762 0.115 0.000 1.936 1159 H HN 0.519 nan 8.280 nan 0.000 0.536 1160 E N 2.024 122.353 120.200 0.215 0.000 2.376 1160 E HA 0.098 4.448 4.350 0.000 0.000 0.266 1160 E C -0.523 176.141 176.600 0.106 0.000 1.009 1160 E CA -0.532 55.937 56.400 0.115 0.000 0.902 1160 E CB 0.434 30.188 29.700 0.090 0.000 0.972 1160 E HN 0.247 nan 8.360 nan 0.000 0.439 1161 L N 4.924 126.190 121.223 0.072 0.000 2.433 1161 L HA 0.202 4.542 4.340 0.000 0.000 0.275 1161 L C -0.551 176.358 176.870 0.065 0.000 1.128 1161 L CA 0.733 55.610 54.840 0.062 0.000 0.875 1161 L CB -0.004 42.083 42.059 0.048 0.000 1.171 1161 L HN 0.662 nan 8.230 nan 0.000 0.463 1162 E N 3.370 123.607 120.200 0.062 0.000 2.316 1162 E HA 0.226 4.577 4.350 0.000 0.000 0.258 1162 E C -1.247 175.419 176.600 0.111 0.000 0.952 1162 E CA -0.868 55.585 56.400 0.088 0.000 0.818 1162 E CB 1.596 31.340 29.700 0.073 0.000 1.260 1162 E HN 0.466 nan 8.360 nan 0.000 0.416 1163 F N 1.585 121.540 119.950 0.007 0.000 2.652 1163 F HA 0.297 4.824 4.527 0.000 0.000 0.352 1163 F C 0.681 176.482 175.800 0.002 0.000 1.259 1163 F CA 0.268 58.271 58.000 0.005 0.000 1.249 1163 F CB -0.557 38.445 39.000 0.005 0.000 1.628 1163 F HN 0.604 nan 8.300 nan 0.000 0.654 1164 G N 3.108 111.745 108.800 -0.271 0.000 2.385 1164 G HA2 0.121 4.081 3.960 0.000 0.000 0.294 1164 G HA3 0.121 4.081 3.960 0.000 0.000 0.294 1164 G C 0.027 174.880 174.900 -0.078 0.000 1.070 1164 G CA -0.049 44.914 45.100 -0.227 0.000 1.172 1164 G HN 1.354 nan 8.290 nan 0.000 0.516 1165 G N -1.217 107.556 108.800 -0.044 0.000 2.673 1165 G HA2 0.789 4.750 3.960 0.000 0.000 0.292 1165 G HA3 0.789 4.750 3.960 0.000 0.000 0.292 1165 G C -0.152 174.722 174.900 -0.042 0.000 1.450 1165 G CA 0.431 45.520 45.100 -0.019 0.000 0.837 1165 G HN 1.698 nan 8.290 nan 0.000 0.505 1166 S N 0.295 115.963 115.700 -0.052 0.000 2.642 1166 S HA 0.579 5.049 4.470 0.000 0.000 0.309 1166 S C 0.747 175.360 174.600 0.022 0.000 1.125 1166 S CA -0.018 58.118 58.200 -0.107 0.000 1.055 1166 S CB 0.723 63.843 63.200 -0.132 0.000 1.157 1166 S HN 1.293 nan 8.310 nan 0.000 0.513 1167 G N 2.213 111.061 108.800 0.081 0.000 2.442 1167 G HA2 0.493 4.454 3.960 0.000 0.000 0.249 1167 G HA3 0.493 4.454 3.960 0.000 0.000 0.249 1167 G C 0.623 175.686 174.900 0.273 0.000 1.263 1167 G CA -0.460 44.729 45.100 0.149 0.000 0.846 1167 G HN 1.014 nan 8.290 nan 0.000 0.555 1168 G N 0.690 109.592 108.800 0.170 0.000 2.349 1168 G HA2 0.279 4.239 3.960 0.000 0.000 0.232 1168 G HA3 0.279 4.239 3.960 0.000 0.000 0.232 1168 G C 0.796 175.750 174.900 0.091 0.000 1.240 1168 G CA 0.502 45.689 45.100 0.144 0.000 0.870 1168 G HN 0.885 nan 8.290 nan 0.000 0.528 1169 S N 0.380 116.065 115.700 -0.025 0.000 2.558 1169 S HA 0.011 4.481 4.470 0.000 0.000 0.287 1169 S C 1.099 175.653 174.600 -0.076 0.000 1.321 1169 S CA -0.355 57.723 58.200 -0.203 0.000 1.048 1169 S CB 0.215 63.316 63.200 -0.166 0.000 0.844 1169 S HN 0.725 nan 8.310 nan 0.000 0.512 1170 R N 2.802 123.275 120.500 -0.045 0.000 2.543 1170 R HA 0.135 4.475 4.340 0.000 0.000 0.277 1170 R C -0.979 175.295 176.300 -0.042 0.000 1.074 1170 R CA 0.079 56.176 56.100 -0.003 0.000 1.076 1170 R CB 0.053 30.415 30.300 0.104 0.000 0.993 1170 R HN 0.710 nan 8.270 nan 0.000 0.459 1171 N N 3.780 122.407 118.700 -0.121 0.000 2.732 1171 N HA 0.061 4.801 4.740 0.000 0.000 0.235 1171 N C -1.383 173.998 175.510 -0.216 0.000 1.466 1171 N CA -0.415 52.520 53.050 -0.193 0.000 0.751 1171 N CB 1.173 39.372 38.487 -0.480 0.000 1.317 1171 N HN 0.728 nan 8.380 nan 0.000 0.525 1172 E N 0.296 120.399 120.200 -0.162 0.000 2.285 1172 E HA 0.773 5.123 4.350 0.000 0.000 0.254 1172 E C -0.508 175.963 176.600 -0.215 0.000 1.011 1172 E CA -0.945 55.285 56.400 -0.283 0.000 0.873 1172 E CB 1.692 31.152 29.700 -0.399 0.000 1.229 1172 E HN 0.122 nan 8.360 nan 0.000 0.422 1173 L N -2.638 118.371 121.223 -0.356 0.000 2.540 1173 L HA 0.659 4.999 4.340 0.000 0.000 0.256 1173 L C -1.623 175.054 176.870 -0.322 0.000 1.001 1173 L CA -0.909 53.831 54.840 -0.166 0.000 0.843 1173 L CB 1.264 43.327 42.059 0.006 0.000 1.436 1173 L HN 0.586 nan 8.230 nan 0.000 0.410 1174 F N 1.608 121.663 119.950 0.175 0.000 2.507 1174 F HA 0.754 5.281 4.527 0.000 0.000 0.325 1174 F C -0.518 175.350 175.800 0.113 0.000 1.116 1174 F CA -0.558 57.540 58.000 0.164 0.000 0.930 1174 F CB 2.143 41.222 39.000 0.130 0.000 1.146 1174 F HN 0.350 nan 8.300 nan 0.000 0.447 1175 L N 3.704 125.101 121.223 0.291 0.000 2.325 1175 L HA 0.495 4.835 4.340 0.000 0.000 0.281 1175 L C -1.267 175.718 176.870 0.193 0.000 1.004 1175 L CA -0.615 54.345 54.840 0.200 0.000 0.823 1175 L CB 1.525 43.680 42.059 0.161 0.000 1.236 1175 L HN 0.514 nan 8.230 nan 0.000 0.415 1176 D N 3.004 123.493 120.400 0.148 0.000 2.502 1176 D HA 0.367 5.007 4.640 0.000 0.000 0.249 1176 D C -0.686 175.696 176.300 0.137 0.000 1.092 1176 D CA -0.164 53.915 54.000 0.133 0.000 0.839 1176 D CB 2.824 43.665 40.800 0.070 0.000 1.264 1176 D HN -0.005 nan 8.370 nan 0.000 0.511 1177 V N 3.411 123.439 119.914 0.189 0.000 2.311 1177 V HA 0.335 4.455 4.120 0.000 0.000 0.275 1177 V C -0.062 176.085 176.094 0.088 0.000 1.022 1177 V CA -0.641 61.737 62.300 0.131 0.000 0.830 1177 V CB 0.764 32.616 31.823 0.048 0.000 1.012 1177 V HN 0.333 nan 8.190 nan 0.000 0.452 1178 L N 5.773 127.033 121.223 0.062 0.000 2.301 1178 L HA 0.544 4.884 4.340 0.000 0.000 0.278 1178 L C 0.286 177.141 176.870 -0.025 0.000 1.022 1178 L CA 0.057 54.903 54.840 0.010 0.000 0.854 1178 L CB 0.854 42.912 42.059 -0.001 0.000 1.226 1178 L HN 0.602 nan 8.230 nan 0.000 0.429 1179 E N 1.457 121.618 120.200 -0.065 0.000 2.249 1179 E HA 0.686 5.037 4.350 0.000 0.000 0.263 1179 E C -0.601 175.919 176.600 -0.134 0.000 0.950 1179 E CA -0.810 55.518 56.400 -0.119 0.000 0.827 1179 E CB 2.302 31.927 29.700 -0.124 0.000 1.220 1179 E HN 0.436 nan 8.360 nan 0.000 0.411 1180 S N 0.239 115.852 115.700 -0.144 0.000 2.733 1180 S HA 0.338 4.808 4.470 0.000 0.000 0.294 1180 S C -0.837 173.670 174.600 -0.154 0.000 1.149 1180 S CA -0.822 57.289 58.200 -0.148 0.000 1.034 1180 S CB 1.387 64.511 63.200 -0.127 0.000 1.015 1180 S HN 0.274 nan 8.310 nan 0.000 0.486 1181 V N 3.916 123.741 119.914 -0.149 0.000 2.509 1181 V HA 0.537 4.657 4.120 0.000 0.000 0.284 1181 V C -0.920 175.125 176.094 -0.082 0.000 1.047 1181 V CA -0.438 61.805 62.300 -0.094 0.000 0.952 1181 V CB 1.192 33.022 31.823 0.011 0.000 0.988 1181 V HN 0.996 nan 8.190 nan 0.000 0.469 1182 N N 5.743 124.338 118.700 -0.176 0.000 2.410 1182 N HA 0.549 5.289 4.740 0.000 0.000 0.287 1182 N C -1.279 174.139 175.510 -0.154 0.000 1.044 1182 N CA -0.346 52.582 53.050 -0.204 0.000 0.881 1182 N CB 2.292 40.479 38.487 -0.500 0.000 1.405 1182 N HN 0.494 nan 8.380 nan 0.000 0.490 1183 L N 1.565 122.715 121.223 -0.121 0.000 2.303 1183 L HA 0.648 4.989 4.340 0.000 0.000 0.256 1183 L C -1.379 175.362 176.870 -0.214 0.000 1.034 1183 L CA -0.603 54.109 54.840 -0.213 0.000 0.832 1183 L CB 2.099 43.905 42.059 -0.422 0.000 1.403 1183 L HN 0.462 nan 8.230 nan 0.000 0.419 1184 L N 3.337 124.460 121.223 -0.167 0.000 2.420 1184 L HA 0.347 4.687 4.340 0.000 0.000 0.260 1184 L C -0.600 176.211 176.870 -0.099 0.000 1.508 1184 L CA -0.059 54.709 54.840 -0.120 0.000 0.835 1184 L CB 1.264 43.282 42.059 -0.067 0.000 1.018 1184 L HN 0.662 nan 8.230 nan 0.000 0.520 1185 M N 1.317 120.841 119.600 -0.127 0.000 2.241 1185 M HA 0.286 4.766 4.480 0.000 0.000 0.335 1185 M C 0.803 177.074 176.300 -0.048 0.000 1.122 1185 M CA 0.331 55.584 55.300 -0.079 0.000 1.164 1185 M CB 1.478 34.028 32.600 -0.084 0.000 1.459 1185 M HN 0.541 nan 8.290 nan 0.000 0.461 1186 S N 3.255 118.938 115.700 -0.028 0.000 2.669 1186 S HA 0.440 4.910 4.470 0.000 0.000 0.270 1186 S C -2.147 172.449 174.600 -0.008 0.000 1.225 1186 S CA -1.159 57.030 58.200 -0.018 0.000 0.991 1186 S CB 0.838 64.030 63.200 -0.012 0.000 0.987 1186 S HN 0.605 nan 8.310 nan 0.000 0.552 1187 P HA -0.148 nan 4.420 nan 0.000 0.217 1187 P C 0.686 177.993 177.300 0.011 0.000 1.148 1187 P CA 1.573 64.676 63.100 0.005 0.000 0.834 1187 P CB -0.097 31.605 31.700 0.003 0.000 0.783 1188 Q N -2.526 117.280 119.800 0.009 0.000 2.247 1188 Q HA 0.372 4.712 4.340 0.000 0.000 0.204 1188 Q C 1.231 177.241 176.000 0.016 0.000 0.872 1188 Q CA 0.533 56.344 55.803 0.013 0.000 0.951 1188 Q CB 0.318 29.062 28.738 0.011 0.000 1.099 1188 Q HN 0.218 nan 8.270 nan 0.000 0.501 1189 G N 0.403 109.211 108.800 0.014 0.000 2.253 1189 G HA2 -0.210 3.750 3.960 0.000 0.000 0.209 1189 G HA3 -0.210 3.750 3.960 0.000 0.000 0.209 1189 G C -0.016 174.891 174.900 0.010 0.000 0.997 1189 G CA -0.617 44.493 45.100 0.018 0.000 0.640 1189 G HN 0.184 nan 8.290 nan 0.000 0.496 1190 Q N 1.612 121.415 119.800 0.006 0.000 2.318 1190 Q HA 0.349 4.689 4.340 0.000 0.000 0.270 1190 Q C 0.705 176.702 176.000 -0.005 0.000 1.237 1190 Q CA 0.147 55.952 55.803 0.003 0.000 0.937 1190 Q CB 0.407 29.146 28.738 0.001 0.000 1.375 1190 Q HN 0.383 nan 8.270 nan 0.000 0.452 1191 V N 5.173 125.085 119.914 -0.003 0.000 2.529 1191 V HA -0.040 4.080 4.120 0.000 0.000 0.292 1191 V C 1.515 177.603 176.094 -0.010 0.000 1.028 1191 V CA 0.361 62.654 62.300 -0.013 0.000 1.074 1191 V CB 0.130 31.952 31.823 -0.003 0.000 0.958 1191 V HN 0.682 nan 8.190 nan 0.000 0.481 1192 L N 3.215 124.426 121.223 -0.020 0.000 2.471 1192 L HA 0.262 4.602 4.340 0.000 0.000 0.186 1192 L C 1.331 178.198 176.870 -0.005 0.000 1.191 1192 L CA 0.403 55.236 54.840 -0.012 0.000 0.835 1192 L CB -0.377 41.671 42.059 -0.018 0.000 1.092 1192 L HN 0.594 nan 8.230 nan 0.000 0.495 1193 S N -0.371 115.321 115.700 -0.013 0.000 2.646 1193 S HA 0.735 5.205 4.470 0.000 0.000 0.276 1193 S C -0.572 174.029 174.600 0.000 0.000 1.222 1193 S CA -0.055 58.149 58.200 0.007 0.000 1.014 1193 S CB 1.277 64.479 63.200 0.004 0.000 0.991 1193 S HN 0.370 nan 8.310 nan 0.000 0.533 1194 A N 2.603 125.448 122.820 0.041 0.000 2.483 1194 A HA 0.574 4.894 4.320 0.000 0.000 0.315 1194 A C -1.113 176.538 177.584 0.111 0.000 1.027 1194 A CA -0.596 51.458 52.037 0.028 0.000 0.996 1194 A CB -0.041 18.976 19.000 0.028 0.000 1.288 1194 A HN 1.533 nan 8.150 nan 0.000 0.371 1195 H N -1.396 117.677 119.070 0.004 0.000 3.043 1195 H HA 0.676 5.232 4.556 0.000 0.000 0.317 1195 H C -1.975 173.336 175.328 -0.029 0.000 1.321 1195 H CA -0.876 55.163 56.048 -0.014 0.000 1.243 1195 H CB 0.775 30.521 29.762 -0.027 0.000 1.924 1195 H HN 0.742 nan 8.280 nan 0.000 0.527 1196 V N 2.108 122.076 119.914 0.090 0.000 2.495 1196 V HA 0.536 4.656 4.120 0.000 0.000 0.298 1196 V C -0.289 175.783 176.094 -0.036 0.000 1.031 1196 V CA -0.700 61.580 62.300 -0.033 0.000 0.871 1196 V CB 1.709 33.486 31.823 -0.076 0.000 0.988 1196 V HN 0.870 nan 8.190 nan 0.000 0.432 1197 S N 3.356 119.012 115.700 -0.073 0.000 2.474 1197 S HA 0.710 5.181 4.470 0.000 0.000 0.320 1197 S C 0.396 174.832 174.600 -0.273 0.000 1.067 1197 S CA -0.452 57.667 58.200 -0.135 0.000 1.127 1197 S CB 1.243 64.433 63.200 -0.016 0.000 0.971 1197 S HN 1.060 nan 8.310 nan 0.000 0.472 1198 G N 2.064 110.523 108.800 -0.568 0.000 2.644 1198 G HA2 0.842 4.803 3.960 0.000 0.000 0.307 1198 G HA3 0.842 4.803 3.960 0.000 0.000 0.307 1198 G C -0.945 173.829 174.900 -0.211 0.000 1.250 1198 G CA -1.120 43.657 45.100 -0.539 0.000 0.996 1198 G HN 0.690 nan 8.290 nan 0.000 0.489 1199 R N -1.326 119.260 120.500 0.143 0.000 2.594 1199 R HA 0.516 4.856 4.340 0.000 0.000 0.265 1199 R C -2.091 174.295 176.300 0.143 0.000 1.070 1199 R CA -0.830 55.371 56.100 0.168 0.000 0.909 1199 R CB 1.620 31.942 30.300 0.037 0.000 1.243 1199 R HN 0.329 nan 8.270 nan 0.000 0.455 1200 V N 2.900 122.842 119.914 0.047 0.000 2.328 1200 V HA 0.329 4.450 4.120 0.000 0.000 0.278 1200 V C 0.136 176.203 176.094 -0.045 0.000 1.021 1200 V CA -0.708 61.596 62.300 0.007 0.000 0.838 1200 V CB 1.333 33.123 31.823 -0.055 0.000 0.999 1200 V HN 0.551 nan 8.190 nan 0.000 0.447 1201 V N 5.659 125.557 119.914 -0.027 0.000 2.837 1201 V HA 0.587 4.707 4.120 0.000 0.000 0.310 1201 V C -0.014 176.000 176.094 -0.134 0.000 1.059 1201 V CA -0.563 61.681 62.300 -0.093 0.000 1.004 1201 V CB 1.828 33.626 31.823 -0.041 0.000 1.045 1201 V HN 0.888 nan 8.190 nan 0.000 0.465 1202 M N 3.017 122.426 119.600 -0.318 0.000 2.322 1202 M HA 0.473 4.953 4.480 0.000 0.000 0.286 1202 M C -1.400 174.795 176.300 -0.176 0.000 1.111 1202 M CA -0.567 54.572 55.300 -0.269 0.000 0.941 1202 M CB 1.922 34.252 32.600 -0.451 0.000 1.671 1202 M HN 0.548 nan 8.290 nan 0.000 0.470 1203 K N 2.557 123.051 120.400 0.156 0.000 2.240 1203 K HA 0.391 4.711 4.320 0.000 0.000 0.271 1203 K C -0.887 175.991 176.600 0.463 0.000 1.018 1203 K CA -0.286 56.218 56.287 0.362 0.000 0.874 1203 K CB 1.814 34.725 32.500 0.684 0.000 1.098 1203 K HN 0.589 nan 8.250 nan 0.000 0.458 1204 S N 3.210 119.094 115.700 0.306 0.000 2.437 1204 S HA 0.397 4.867 4.470 0.000 0.000 0.305 1204 S C -1.150 173.565 174.600 0.193 0.000 1.109 1204 S CA -0.567 57.821 58.200 0.312 0.000 1.099 1204 S CB 0.297 63.678 63.200 0.303 0.000 1.004 1204 S HN 0.484 nan 8.310 nan 0.000 0.475 1205 Y N 4.973 125.345 120.300 0.121 0.000 2.473 1205 Y HA 0.463 5.013 4.550 0.000 0.000 0.345 1205 Y C -0.854 175.069 175.900 0.038 0.000 0.932 1205 Y CA -0.645 57.515 58.100 0.100 0.000 1.124 1205 Y CB 0.215 38.748 38.460 0.122 0.000 1.162 1205 Y HN 0.433 nan 8.280 nan 0.000 0.629 1206 L N 0.383 121.703 121.223 0.161 0.000 2.329 1206 L HA 0.545 4.885 4.340 0.000 0.000 0.279 1206 L C 0.330 177.297 176.870 0.162 0.000 1.014 1206 L CA -0.432 54.476 54.840 0.113 0.000 0.814 1206 L CB 1.867 44.002 42.059 0.125 0.000 1.257 1206 L HN 0.078 nan 8.230 nan 0.000 0.424 1207 S N 2.039 117.879 115.700 0.233 0.000 2.481 1207 S HA 0.601 5.072 4.470 0.000 0.000 0.276 1207 S C 0.785 175.487 174.600 0.170 0.000 1.247 1207 S CA 0.283 58.616 58.200 0.221 0.000 1.053 1207 S CB 0.632 63.994 63.200 0.270 0.000 0.925 1207 S HN 1.059 nan 8.310 nan 0.000 0.491 1208 G N 3.391 112.233 108.800 0.070 0.000 2.603 1208 G HA2 -0.201 3.759 3.960 0.000 0.000 0.245 1208 G HA3 -0.201 3.759 3.960 0.000 0.000 0.245 1208 G C -0.227 174.676 174.900 0.005 0.000 1.195 1208 G CA 0.032 45.136 45.100 0.006 0.000 0.953 1208 G HN 0.793 nan 8.290 nan 0.000 0.566 1209 M N 0.792 120.372 119.600 -0.033 0.000 3.269 1209 M HA 0.337 4.818 4.480 0.000 0.000 0.340 1209 M C -3.062 173.202 176.300 -0.059 0.000 1.662 1209 M CA -1.381 53.903 55.300 -0.028 0.000 0.547 1209 M CB 1.873 34.453 32.600 -0.033 0.000 1.449 1209 M HN 0.372 nan 8.290 nan 0.000 0.459 1210 P HA 0.083 nan 4.420 nan 0.000 0.271 1210 P C -0.706 176.567 177.300 -0.045 0.000 1.216 1210 P CA 0.335 63.401 63.100 -0.056 0.000 0.776 1210 P CB 0.836 32.608 31.700 0.119 0.000 0.881 1211 E N 2.639 122.813 120.200 -0.044 0.000 2.289 1211 E HA 0.295 4.645 4.350 0.000 0.000 0.278 1211 E C -1.094 175.487 176.600 -0.032 0.000 1.032 1211 E CA -0.536 55.851 56.400 -0.022 0.000 0.854 1211 E CB 0.136 29.871 29.700 0.059 0.000 1.046 1211 E HN 0.402 nan 8.360 nan 0.000 0.409 1212 C N 3.981 123.148 119.300 -0.221 0.000 2.614 1212 C HA 0.611 5.071 4.460 0.000 0.000 0.320 1212 C C -0.530 174.362 174.990 -0.163 0.000 1.200 1212 C CA -0.987 57.877 59.018 -0.257 0.000 1.700 1212 C CB 1.011 28.430 27.740 -0.535 0.000 2.275 1212 C HN 0.852 nan 8.230 nan 0.000 0.492 1213 K N 1.640 122.098 120.400 0.097 0.000 2.535 1213 K HA 0.476 4.796 4.320 0.000 0.000 0.253 1213 K C -1.461 175.378 176.600 0.398 0.000 0.953 1213 K CA -0.241 56.220 56.287 0.291 0.000 0.863 1213 K CB 0.904 33.588 32.500 0.307 0.000 1.111 1213 K HN 0.791 nan 8.250 nan 0.000 0.431 1214 F N 2.979 123.091 119.950 0.270 0.000 2.404 1214 F HA 0.600 5.127 4.527 0.000 0.000 0.345 1214 F C 0.004 175.677 175.800 -0.211 0.000 1.110 1214 F CA -0.288 57.758 58.000 0.078 0.000 1.130 1214 F CB 1.219 40.374 39.000 0.258 0.000 1.129 1214 F HN 0.585 nan 8.300 nan 0.000 0.500 1215 G N 7.074 115.490 108.800 -0.640 0.000 2.638 1215 G HA2 0.592 4.552 3.960 0.000 0.000 0.302 1215 G HA3 0.592 4.552 3.960 0.000 0.000 0.302 1215 G C -1.430 173.171 174.900 -0.499 0.000 1.365 1215 G CA -1.045 43.666 45.100 -0.648 0.000 0.987 1215 G HN 0.861 nan 8.290 nan 0.000 0.495 1216 M N 0.385 119.940 119.600 -0.075 0.000 2.812 1216 M HA 0.627 5.108 4.480 0.000 0.000 0.285 1216 M C -0.880 175.440 176.300 0.033 0.000 1.216 1216 M CA -1.298 53.985 55.300 -0.029 0.000 0.749 1216 M CB 1.645 34.299 32.600 0.091 0.000 1.756 1216 M HN 0.397 nan 8.290 nan 0.000 0.439 1217 N N 0.562 119.284 118.700 0.036 0.000 2.472 1217 N HA 0.447 5.187 4.740 0.000 0.000 0.277 1217 N C -1.640 173.902 175.510 0.054 0.000 1.081 1217 N CA -0.155 52.926 53.050 0.051 0.000 0.973 1217 N CB 0.905 39.420 38.487 0.047 0.000 1.105 1217 N HN 0.630 nan 8.380 nan 0.000 0.470 1246 C N -1.708 117.661 119.300 0.114 0.000 3.099 1246 C HA 0.767 5.227 4.460 0.000 0.000 0.357 1246 C C -0.193 174.880 174.990 0.138 0.000 1.171 1246 C CA -0.252 58.824 59.018 0.097 0.000 1.129 1246 C CB 0.731 28.518 27.740 0.079 0.000 1.420 1246 C HN 1.073 nan 8.230 nan 0.000 0.510 1247 T N -1.121 113.441 114.554 0.014 0.000 2.938 1247 T HA 0.907 5.258 4.350 0.000 0.000 0.285 1247 T C -1.068 173.592 174.700 -0.066 0.000 1.028 1247 T CA -0.430 61.730 62.100 0.100 0.000 1.005 1247 T CB 1.514 70.398 68.868 0.028 0.000 1.157 1247 T HN 0.957 nan 8.240 nan 0.000 0.550 1248 F N -0.151 119.779 119.950 -0.034 0.000 2.608 1248 F HA 0.363 4.890 4.527 0.000 0.000 0.309 1248 F C 0.199 175.995 175.800 -0.006 0.000 1.103 1248 F CA -1.133 56.841 58.000 -0.043 0.000 0.954 1248 F CB 1.570 40.527 39.000 -0.071 0.000 1.267 1248 F HN 0.760 nan 8.300 nan 0.000 0.444 1249 H N 3.682 122.788 119.070 0.061 0.000 2.928 1249 H HA 0.008 4.564 4.556 0.000 0.000 0.338 1249 H C 1.208 176.540 175.328 0.008 0.000 1.047 1249 H CA 0.913 56.972 56.048 0.020 0.000 1.435 1249 H CB 1.286 31.046 29.762 -0.003 0.000 1.428 1249 H HN 0.906 nan 8.280 nan 0.000 0.590 1250 Q N 3.527 123.308 119.800 -0.032 0.000 2.124 1250 Q HA -0.284 4.057 4.340 0.000 0.000 0.215 1250 Q C 2.187 178.256 176.000 0.116 0.000 1.015 1250 Q CA 2.543 58.362 55.803 0.027 0.000 0.890 1250 Q CB -1.149 27.556 28.738 -0.055 0.000 0.966 1250 Q HN 0.746 nan 8.270 nan 0.000 0.412 1251 C N 0.614 120.048 119.300 0.223 0.000 2.434 1251 C HA 0.244 4.704 4.460 0.000 0.000 0.298 1251 C C 1.019 176.101 174.990 0.154 0.000 1.495 1251 C CA -0.707 58.387 59.018 0.126 0.000 1.756 1251 C CB -1.407 26.348 27.740 0.024 0.000 1.647 1251 C HN 0.326 nan 8.230 nan 0.000 0.579 1252 V N 3.870 123.865 119.914 0.134 0.000 2.432 1252 V HA 0.292 4.413 4.120 0.000 0.000 0.271 1252 V C 0.497 176.628 176.094 0.061 0.000 1.046 1252 V CA -0.157 62.223 62.300 0.133 0.000 0.945 1252 V CB 0.308 32.201 31.823 0.116 0.000 0.992 1252 V HN 0.433 nan 8.190 nan 0.000 0.471 1253 R N 5.216 125.766 120.500 0.083 0.000 2.442 1253 R HA 0.331 4.671 4.340 0.000 0.000 0.291 1253 R C -0.581 175.679 176.300 -0.067 0.000 1.069 1253 R CA -0.267 55.827 56.100 -0.011 0.000 1.022 1253 R CB 0.414 30.718 30.300 0.006 0.000 0.976 1253 R HN 0.563 nan 8.270 nan 0.000 0.443 1254 L N 2.938 124.089 121.223 -0.120 0.000 2.278 1254 L HA 0.184 4.525 4.340 0.000 0.000 0.287 1254 L C 0.509 177.306 176.870 -0.122 0.000 1.072 1254 L CA 0.080 54.818 54.840 -0.169 0.000 0.819 1254 L CB 0.578 42.534 42.059 -0.173 0.000 1.176 1254 L HN 0.838 nan 8.230 nan 0.000 0.435 1261 R N -0.622 119.934 120.500 0.093 0.000 3.919 1261 R HA -0.165 4.175 4.340 0.000 0.000 0.412 1261 R C -0.202 176.182 176.300 0.139 0.000 1.102 1261 R CA 1.807 57.972 56.100 0.108 0.000 1.082 1261 R CB -3.277 27.090 30.300 0.110 0.000 1.671 1261 R HN 0.831 nan 8.270 nan 0.000 0.540 1262 S N -1.659 114.128 115.700 0.145 0.000 2.597 1262 S HA 0.766 5.236 4.470 0.000 0.000 0.274 1262 S C -0.402 174.302 174.600 0.173 0.000 1.132 1262 S CA -0.303 58.011 58.200 0.189 0.000 0.835 1262 S CB 1.459 64.805 63.200 0.244 0.000 1.092 1262 S HN 1.947 nan 8.310 nan 0.000 0.457 1263 I N -0.427 120.276 120.570 0.223 0.000 2.828 1263 I HA 0.901 5.071 4.170 0.000 0.000 0.302 1263 I C -0.509 175.816 176.117 0.346 0.000 1.101 1263 I CA -0.755 60.664 61.300 0.198 0.000 1.031 1263 I CB 2.350 40.431 38.000 0.135 0.000 1.231 1263 I HN 0.891 nan 8.210 nan 0.000 0.427 1264 S N 3.947 119.839 115.700 0.321 0.000 2.664 1264 S HA 0.958 5.429 4.470 0.000 0.000 0.304 1264 S C -0.644 174.282 174.600 0.543 0.000 1.099 1264 S CA -0.518 57.909 58.200 0.378 0.000 1.003 1264 S CB 1.773 65.117 63.200 0.239 0.000 1.092 1264 S HN 1.180 nan 8.310 nan 0.000 0.525 1265 F N -2.202 117.829 119.950 0.135 0.000 2.919 1265 F HA 0.514 5.041 4.527 0.000 0.000 0.330 1265 F C -2.460 173.400 175.800 0.100 0.000 1.136 1265 F CA -1.499 56.562 58.000 0.103 0.000 0.901 1265 F CB 0.385 39.450 39.000 0.107 0.000 1.321 1265 F HN 0.439 nan 8.300 nan 0.000 0.449 1266 I N 3.472 124.132 120.570 0.150 0.000 2.371 1266 I HA 0.307 4.477 4.170 0.000 0.000 0.282 1266 I C -2.382 173.799 176.117 0.108 0.000 1.031 1266 I CA -2.297 59.019 61.300 0.026 0.000 1.180 1266 I CB 1.113 39.133 38.000 0.033 0.000 1.336 1266 I HN 0.348 nan 8.210 nan 0.000 0.467 1267 P HA 0.158 nan 4.420 nan 0.000 0.262 1267 P C -2.600 174.699 177.300 -0.001 0.000 1.199 1267 P CA -0.845 62.386 63.100 0.218 0.000 0.763 1267 P CB -0.118 31.826 31.700 0.406 0.000 0.790 1268 P HA 0.156 nan 4.420 nan 0.000 0.272 1268 P C -0.155 177.143 177.300 -0.004 0.000 1.230 1268 P CA 0.096 63.074 63.100 -0.204 0.000 0.788 1268 P CB 0.342 31.798 31.700 -0.407 0.000 0.949 1269 D N -0.045 120.368 120.400 0.022 0.000 2.341 1269 D HA 0.456 5.096 4.640 0.000 0.000 0.245 1269 D C 0.936 177.272 176.300 0.059 0.000 1.106 1269 D CA 1.395 55.422 54.000 0.046 0.000 0.905 1269 D CB 0.311 41.114 40.800 0.006 0.000 1.202 1269 D HN 0.598 nan 8.370 nan 0.000 0.426 1270 G N 2.091 110.894 108.800 0.005 0.000 2.466 1270 G HA2 -0.179 3.782 3.960 0.000 0.000 0.218 1270 G HA3 -0.179 3.782 3.960 0.000 0.000 0.218 1270 G C -0.583 174.387 174.900 0.116 0.000 1.237 1270 G CA -0.066 45.027 45.100 -0.012 0.000 0.954 1270 G HN 0.697 nan 8.290 nan 0.000 0.580 1271 E N -0.102 120.183 120.200 0.141 0.000 2.195 1271 E HA 0.721 5.071 4.350 0.000 0.000 0.271 1271 E C -0.548 176.202 176.600 0.250 0.000 0.923 1271 E CA -0.950 55.530 56.400 0.133 0.000 0.790 1271 E CB 1.199 30.944 29.700 0.075 0.000 1.155 1271 E HN 1.204 nan 8.360 nan 0.000 0.402 1272 F N 0.205 120.183 119.950 0.046 0.000 2.713 1272 F HA 0.373 4.900 4.527 0.000 0.000 0.311 1272 F C -1.122 174.711 175.800 0.055 0.000 1.141 1272 F CA -1.208 56.825 58.000 0.055 0.000 0.939 1272 F CB 1.089 40.063 39.000 -0.043 0.000 1.325 1272 F HN 0.354 nan 8.300 nan 0.000 0.453 1273 E N 2.196 122.587 120.200 0.318 0.000 1.893 1273 E HA 0.245 4.595 4.350 0.000 0.000 0.269 1273 E C 0.737 177.475 176.600 0.229 0.000 1.129 1273 E CA -0.470 56.015 56.400 0.142 0.000 0.904 1273 E CB 0.809 30.577 29.700 0.113 0.000 1.077 1273 E HN 0.793 nan 8.360 nan 0.000 0.407 1274 L N 5.191 126.431 121.223 0.029 0.000 2.021 1274 L HA -0.139 4.201 4.340 0.000 0.000 0.215 1274 L C 0.526 177.301 176.870 -0.157 0.000 1.074 1274 L CA 2.059 56.912 54.840 0.021 0.000 0.760 1274 L CB -0.214 41.694 42.059 -0.252 0.000 0.889 1274 L HN 0.763 nan 8.230 nan 0.000 0.433 1275 M N -2.916 116.515 119.600 -0.282 0.000 2.773 1275 M HA 0.460 4.940 4.480 0.000 0.000 0.270 1275 M C -0.588 175.549 176.300 -0.273 0.000 1.238 1275 M CA -0.937 54.067 55.300 -0.493 0.000 0.832 1275 M CB 1.941 33.947 32.600 -0.989 0.000 1.672 1275 M HN -0.035 nan 8.290 nan 0.000 0.480 1276 R N 0.707 121.060 120.500 -0.245 0.000 2.867 1276 R HA 0.905 5.245 4.340 0.000 0.000 0.268 1276 R C -2.018 174.375 176.300 0.156 0.000 1.014 1276 R CA -0.379 55.732 56.100 0.017 0.000 0.946 1276 R CB 2.189 32.472 30.300 -0.027 0.000 1.208 1276 R HN 0.985 nan 8.270 nan 0.000 0.477 1277 Y N -1.588 118.631 120.300 -0.135 0.000 2.852 1277 Y HA 0.511 5.061 4.550 0.000 0.000 0.350 1277 Y C -1.871 174.000 175.900 -0.048 0.000 1.272 1277 Y CA -1.468 56.576 58.100 -0.094 0.000 1.086 1277 Y CB 1.324 39.724 38.460 -0.100 0.000 1.408 1277 Y HN 0.703 nan 8.280 nan 0.000 0.447 1278 R N 1.528 121.966 120.500 -0.103 0.000 2.522 1278 R HA 0.589 4.929 4.340 0.000 0.000 0.273 1278 R C -2.055 174.226 176.300 -0.033 0.000 1.133 1278 R CA -0.237 55.766 56.100 -0.162 0.000 0.969 1278 R CB 2.360 32.594 30.300 -0.110 0.000 1.235 1278 R HN 0.969 nan 8.270 nan 0.000 0.433 1279 T N 1.309 115.849 114.554 -0.024 0.000 2.926 1279 T HA 0.426 4.777 4.350 0.000 0.000 0.289 1279 T C 0.602 175.337 174.700 0.059 0.000 1.054 1279 T CA -0.305 61.823 62.100 0.047 0.000 1.015 1279 T CB 1.879 70.799 68.868 0.086 0.000 1.167 1279 T HN 0.714 nan 8.240 nan 0.000 0.526 1280 T N -2.501 112.092 114.554 0.064 0.000 3.073 1280 T HA 0.317 4.667 4.350 0.000 0.000 0.264 1280 T C 0.183 174.921 174.700 0.063 0.000 0.893 1280 T CA -0.296 61.848 62.100 0.073 0.000 0.863 1280 T CB 0.095 69.000 68.868 0.062 0.000 1.247 1280 T HN 0.315 nan 8.240 nan 0.000 0.546 1281 K N 2.306 122.742 120.400 0.060 0.000 2.118 1281 K HA 0.366 4.687 4.320 0.000 0.000 0.267 1281 K C -0.430 176.207 176.600 0.061 0.000 0.991 1281 K CA -0.364 55.957 56.287 0.056 0.000 0.916 1281 K CB 0.670 33.200 32.500 0.051 0.000 1.041 1281 K HN 0.144 nan 8.250 nan 0.000 0.455 1282 D N 0.990 121.425 120.400 0.058 0.000 2.911 1282 D HA -0.223 4.417 4.640 0.000 0.000 0.227 1282 D C -0.053 176.292 176.300 0.074 0.000 1.164 1282 D CA 0.837 54.874 54.000 0.062 0.000 0.782 1282 D CB -1.306 39.529 40.800 0.059 0.000 1.094 1282 D HN 0.464 nan 8.370 nan 0.000 0.425 1283 I N 0.886 121.502 120.570 0.078 0.000 2.692 1283 I HA 0.017 4.187 4.170 0.000 0.000 0.284 1283 I C 1.405 177.590 176.117 0.113 0.000 1.159 1283 I CA 0.065 61.420 61.300 0.092 0.000 1.423 1283 I CB 0.478 38.529 38.000 0.085 0.000 1.380 1283 I HN -0.089 nan 8.210 nan 0.000 0.580 1284 I N 6.853 127.509 120.570 0.144 0.000 2.352 1284 I HA 0.170 4.340 4.170 0.000 0.000 0.290 1284 I C -0.209 176.034 176.117 0.211 0.000 1.036 1284 I CA -0.319 61.087 61.300 0.177 0.000 1.336 1284 I CB 0.627 38.769 38.000 0.237 0.000 1.407 1284 I HN 0.322 nan 8.210 nan 0.000 0.497 1285 L N 9.162 130.511 121.223 0.211 0.000 2.259 1285 L HA 0.258 4.598 4.340 0.000 0.000 0.288 1285 L C -1.558 175.467 176.870 0.257 0.000 1.051 1285 L CA -1.517 53.490 54.840 0.279 0.000 0.824 1285 L CB 0.639 42.865 42.059 0.278 0.000 1.206 1285 L HN 0.379 nan 8.230 nan 0.000 0.429 1286 P HA -0.197 nan 4.420 nan 0.000 0.212 1286 P C -0.060 177.278 177.300 0.063 0.000 1.174 1286 P CA 1.525 64.569 63.100 -0.092 0.000 0.934 1286 P CB 0.167 31.238 31.700 -1.048 0.000 0.791 1287 F N -2.270 117.774 119.950 0.158 0.000 2.497 1287 F HA 0.552 5.079 4.527 0.000 0.000 0.331 1287 F C 1.051 177.040 175.800 0.315 0.000 1.060 1287 F CA -1.370 56.754 58.000 0.206 0.000 0.989 1287 F CB 1.568 40.685 39.000 0.196 0.000 1.245 1287 F HN -0.361 nan 8.300 nan 0.000 0.486 1288 R N 0.768 121.519 120.500 0.420 0.000 2.621 1288 R HA 0.685 5.025 4.340 0.000 0.000 0.292 1288 R C -2.309 174.126 176.300 0.225 0.000 0.969 1288 R CA -0.505 55.758 56.100 0.271 0.000 0.887 1288 R CB 1.908 32.312 30.300 0.172 0.000 1.180 1288 R HN 0.508 nan 8.270 nan 0.000 0.450 1289 V N 6.087 126.112 119.914 0.185 0.000 2.384 1289 V HA 0.426 4.546 4.120 0.000 0.000 0.287 1289 V C -0.457 175.697 176.094 0.100 0.000 1.020 1289 V CA -0.723 61.668 62.300 0.153 0.000 0.850 1289 V CB 1.517 33.441 31.823 0.169 0.000 0.987 1289 V HN 0.677 nan 8.190 nan 0.000 0.436 1290 I N 8.587 129.209 120.570 0.088 0.000 2.313 1290 I HA 0.349 4.519 4.170 0.000 0.000 0.286 1290 I C -2.142 174.010 176.117 0.058 0.000 1.091 1290 I CA -1.779 59.558 61.300 0.062 0.000 1.216 1290 I CB 1.495 39.526 38.000 0.052 0.000 1.434 1290 I HN 0.452 nan 8.210 nan 0.000 0.487 1291 P HA 0.375 nan 4.420 nan 0.000 0.296 1291 P C -0.969 176.351 177.300 0.035 0.000 1.306 1291 P CA -0.586 62.543 63.100 0.048 0.000 0.818 1291 P CB 2.005 33.735 31.700 0.050 0.000 0.969 1292 L N 4.534 125.774 121.223 0.028 0.000 2.471 1292 L HA 0.285 4.625 4.340 0.000 0.000 0.263 1292 L C -0.369 176.512 176.870 0.019 0.000 0.985 1292 L CA -0.647 54.205 54.840 0.021 0.000 0.868 1292 L CB 1.874 43.941 42.059 0.013 0.000 1.203 1292 L HN 0.214 nan 8.230 nan 0.000 0.429 1293 V N 1.263 121.194 119.914 0.029 0.000 2.417 1293 V HA 0.737 4.857 4.120 0.000 0.000 0.291 1293 V C -0.232 175.879 176.094 0.029 0.000 1.024 1293 V CA -0.720 61.601 62.300 0.034 0.000 0.861 1293 V CB 1.683 33.548 31.823 0.070 0.000 0.985 1293 V HN 0.736 nan 8.190 nan 0.000 0.436 1294 R N 2.396 122.905 120.500 0.014 0.000 2.803 1294 R HA 0.629 4.969 4.340 0.000 0.000 0.276 1294 R C -0.860 175.442 176.300 0.004 0.000 0.978 1294 R CA -0.638 55.468 56.100 0.010 0.000 0.939 1294 R CB 2.444 32.744 30.300 0.000 0.000 1.179 1294 R HN 0.929 nan 8.270 nan 0.000 0.472 1295 E N 1.493 121.697 120.200 0.006 0.000 2.151 1295 E HA 0.289 4.639 4.350 0.000 0.000 0.275 1295 E C -1.279 175.316 176.600 -0.008 0.000 0.936 1295 E CA -0.613 55.787 56.400 -0.001 0.000 0.777 1295 E CB 2.202 31.909 29.700 0.011 0.000 1.108 1295 E HN 0.187 nan 8.360 nan 0.000 0.401 1296 V N 4.241 124.144 119.914 -0.018 0.000 2.276 1296 V HA 0.474 4.595 4.120 0.000 0.000 0.268 1296 V C 0.694 176.776 176.094 -0.021 0.000 1.032 1296 V CA 0.227 62.516 62.300 -0.019 0.000 0.810 1296 V CB 0.096 31.905 31.823 -0.023 0.000 1.060 1296 V HN 0.998 nan 8.190 nan 0.000 0.446 1297 G N 4.148 112.939 108.800 -0.015 0.000 2.509 1297 G HA2 -0.285 3.676 3.960 0.000 0.000 0.259 1297 G HA3 -0.285 3.676 3.960 0.000 0.000 0.259 1297 G C 0.669 175.557 174.900 -0.020 0.000 1.169 1297 G CA 0.821 45.911 45.100 -0.016 0.000 0.953 1297 G HN 0.625 nan 8.290 nan 0.000 0.563 1298 R N -1.654 118.831 120.500 -0.025 0.000 2.194 1298 R HA 0.208 4.549 4.340 0.000 0.000 0.194 1298 R C 2.763 179.034 176.300 -0.048 0.000 0.985 1298 R CA 1.207 57.288 56.100 -0.032 0.000 1.104 1298 R CB -0.300 29.985 30.300 -0.025 0.000 1.092 1298 R HN 0.531 nan 8.270 nan 0.000 0.555 1299 T N 1.047 115.574 114.554 -0.045 0.000 2.867 1299 T HA -0.003 4.347 4.350 0.000 0.000 0.268 1299 T C 0.144 174.804 174.700 -0.066 0.000 1.057 1299 T CA 1.201 63.268 62.100 -0.055 0.000 1.136 1299 T CB 0.052 68.894 68.868 -0.043 0.000 0.874 1299 T HN -0.091 nan 8.240 nan 0.000 0.466 1300 K N 1.065 121.431 120.400 -0.057 0.000 2.156 1300 K HA 0.602 4.923 4.320 0.000 0.000 0.271 1300 K C -1.115 175.447 176.600 -0.064 0.000 0.995 1300 K CA -0.556 55.694 56.287 -0.060 0.000 0.890 1300 K CB 1.366 33.839 32.500 -0.046 0.000 1.073 1300 K HN -0.015 nan 8.250 nan 0.000 0.454 1301 L N 2.643 123.819 121.223 -0.077 0.000 2.611 1301 L HA 0.329 4.669 4.340 0.000 0.000 0.263 1301 L C -1.306 175.522 176.870 -0.071 0.000 0.969 1301 L CA -0.270 54.526 54.840 -0.074 0.000 0.894 1301 L CB 1.340 43.331 42.059 -0.114 0.000 1.229 1301 L HN 0.506 nan 8.230 nan 0.000 0.416 1302 E N 3.661 123.832 120.200 -0.048 0.000 2.313 1302 E HA 0.696 5.046 4.350 0.000 0.000 0.272 1302 E C -0.885 175.693 176.600 -0.038 0.000 1.038 1302 E CA -0.438 55.934 56.400 -0.047 0.000 0.863 1302 E CB 2.307 31.986 29.700 -0.036 0.000 1.060 1302 E HN 0.358 nan 8.360 nan 0.000 0.402 1303 V N 1.387 121.272 119.914 -0.049 0.000 2.711 1303 V HA 0.407 4.527 4.120 0.000 0.000 0.304 1303 V C -0.328 175.734 176.094 -0.053 0.000 1.097 1303 V CA -0.951 61.325 62.300 -0.039 0.000 0.906 1303 V CB 2.014 33.811 31.823 -0.043 0.000 1.015 1303 V HN 0.538 nan 8.190 nan 0.000 0.427 1304 K N 3.683 124.063 120.400 -0.034 0.000 2.640 1304 K HA 0.705 5.026 4.320 0.000 0.000 0.245 1304 K C -1.382 175.208 176.600 -0.017 0.000 0.962 1304 K CA -0.425 55.837 56.287 -0.042 0.000 0.896 1304 K CB 2.047 34.528 32.500 -0.032 0.000 1.147 1304 K HN 0.700 nan 8.250 nan 0.000 0.445 1305 V N 1.175 121.075 119.914 -0.023 0.000 2.459 1305 V HA 0.644 4.765 4.120 0.000 0.000 0.295 1305 V C -0.367 175.762 176.094 0.059 0.000 1.029 1305 V CA -0.961 61.358 62.300 0.031 0.000 0.874 1305 V CB 1.587 33.447 31.823 0.063 0.000 0.985 1305 V HN 0.338 nan 8.190 nan 0.000 0.438 1306 V N 5.647 125.613 119.914 0.085 0.000 2.588 1306 V HA 0.575 4.695 4.120 0.000 0.000 0.304 1306 V C -0.219 175.942 176.094 0.112 0.000 1.042 1306 V CA -0.482 61.880 62.300 0.103 0.000 0.877 1306 V CB 1.938 33.798 31.823 0.061 0.000 0.996 1306 V HN 0.938 nan 8.190 nan 0.000 0.425 1307 I N 1.816 122.451 120.570 0.108 0.000 2.441 1307 I HA 0.675 4.845 4.170 0.000 0.000 0.295 1307 I C -0.535 175.569 176.117 -0.021 0.000 0.994 1307 I CA -0.702 60.622 61.300 0.041 0.000 1.144 1307 I CB 1.709 39.671 38.000 -0.064 0.000 1.314 1307 I HN 0.418 nan 8.210 nan 0.000 0.445 1308 K N 4.650 125.062 120.400 0.019 0.000 2.307 1308 K HA 0.356 4.676 4.320 0.000 0.000 0.263 1308 K C -0.308 176.319 176.600 0.044 0.000 0.973 1308 K CA -0.570 55.720 56.287 0.005 0.000 0.846 1308 K CB 2.042 34.563 32.500 0.034 0.000 1.100 1308 K HN 0.862 nan 8.250 nan 0.000 0.438 1309 S N 1.985 117.648 115.700 -0.063 0.000 2.549 1309 S HA 0.107 4.578 4.470 0.000 0.000 0.279 1309 S C -0.005 174.452 174.600 -0.237 0.000 1.321 1309 S CA -0.635 57.535 58.200 -0.051 0.000 1.054 1309 S CB 0.594 63.608 63.200 -0.310 0.000 0.899 1309 S HN 0.631 nan 8.310 nan 0.000 0.497 1310 N N 2.391 120.975 118.700 -0.193 0.000 2.746 1310 N HA 0.563 5.304 4.740 0.000 0.000 0.250 1310 N C -1.317 174.181 175.510 -0.020 0.000 1.146 1310 N CA -0.808 52.175 53.050 -0.112 0.000 0.828 1310 N CB -0.105 38.442 38.487 0.100 0.000 1.158 1310 N HN 0.705 nan 8.380 nan 0.000 0.519 1311 F N -1.310 118.589 119.950 -0.085 0.000 2.890 1311 F HA 0.368 4.895 4.527 0.000 0.000 0.326 1311 F C -0.660 175.049 175.800 -0.151 0.000 1.143 1311 F CA -1.431 56.435 58.000 -0.224 0.000 0.906 1311 F CB 0.491 39.223 39.000 -0.447 0.000 1.303 1311 F HN -0.150 nan 8.300 nan 0.000 0.447 1312 K N 1.571 121.995 120.400 0.040 0.000 2.513 1312 K HA -0.007 4.313 4.320 0.000 0.000 0.275 1312 K C -2.018 174.610 176.600 0.046 0.000 1.025 1312 K CA -0.325 55.972 56.287 0.017 0.000 1.125 1312 K CB 0.145 32.653 32.500 0.013 0.000 0.843 1312 K HN 0.355 nan 8.250 nan 0.000 0.486 1313 P HA -0.229 nan 4.420 nan 0.000 0.220 1313 P C 1.041 178.362 177.300 0.034 0.000 1.144 1313 P CA 1.301 64.388 63.100 -0.022 0.000 0.800 1313 P CB 0.169 31.849 31.700 -0.032 0.000 0.772 1314 S N -1.458 114.270 115.700 0.048 0.000 2.428 1314 S HA -0.040 4.430 4.470 0.000 0.000 0.230 1314 S C 0.837 175.490 174.600 0.088 0.000 1.014 1314 S CA 0.539 58.771 58.200 0.053 0.000 0.957 1314 S CB -1.075 62.145 63.200 0.034 0.000 0.784 1314 S HN 0.059 nan 8.310 nan 0.000 0.499 1315 L N 2.182 123.497 121.223 0.153 0.000 2.312 1315 L HA 0.510 4.851 4.340 0.000 0.000 0.281 1315 L C -0.536 176.509 176.870 0.292 0.000 1.070 1315 L CA -0.631 54.318 54.840 0.182 0.000 0.805 1315 L CB 1.147 43.300 42.059 0.157 0.000 1.174 1315 L HN 0.182 nan 8.230 nan 0.000 0.434 1316 L N 2.884 124.217 121.223 0.183 0.000 2.313 1316 L HA 0.664 5.005 4.340 0.000 0.000 0.283 1316 L C 0.125 177.075 176.870 0.134 0.000 1.013 1316 L CA -0.634 54.329 54.840 0.205 0.000 0.816 1316 L CB 1.632 43.758 42.059 0.112 0.000 1.236 1316 L HN 0.655 nan 8.230 nan 0.000 0.419 1317 A N 3.687 126.631 122.820 0.205 0.000 2.328 1317 A HA 0.580 4.900 4.320 0.000 0.000 0.284 1317 A C -0.108 177.544 177.584 0.114 0.000 1.160 1317 A CA -0.378 51.701 52.037 0.071 0.000 0.818 1317 A CB 0.799 19.853 19.000 0.090 0.000 1.087 1317 A HN 0.834 nan 8.150 nan 0.000 0.504 1318 Q N 1.500 121.336 119.800 0.060 0.000 2.576 1318 Q HA 0.653 4.994 4.340 0.000 0.000 0.249 1318 Q C -0.924 175.120 176.000 0.073 0.000 1.041 1318 Q CA -1.106 54.731 55.803 0.057 0.000 0.928 1318 Q CB 0.497 29.250 28.738 0.025 0.000 1.302 1318 Q HN 0.513 nan 8.270 nan 0.000 0.504 1319 K N 0.409 120.835 120.400 0.043 0.000 4.418 1319 K HA -0.168 4.152 4.320 0.000 0.000 0.285 1319 K C -1.008 175.644 176.600 0.087 0.000 0.874 1319 K CA 0.467 56.779 56.287 0.042 0.000 0.844 1319 K CB -1.686 30.831 32.500 0.029 0.000 1.691 1319 K HN 0.431 nan 8.250 nan 0.000 0.433 1320 I N 0.843 121.453 120.570 0.066 0.000 2.437 1320 I HA 0.304 4.474 4.170 0.000 0.000 0.298 1320 I C 0.218 176.347 176.117 0.021 0.000 0.984 1320 I CA -0.584 60.780 61.300 0.107 0.000 1.214 1320 I CB 1.777 39.792 38.000 0.026 0.000 1.365 1320 I HN 0.282 nan 8.210 nan 0.000 0.469 1321 E N 4.267 124.509 120.200 0.070 0.000 2.278 1321 E HA 0.515 4.865 4.350 0.000 0.000 0.272 1321 E C -1.842 174.823 176.600 0.108 0.000 0.890 1321 E CA -0.498 55.935 56.400 0.055 0.000 0.770 1321 E CB 2.504 32.236 29.700 0.053 0.000 1.212 1321 E HN 0.301 nan 8.360 nan 0.000 0.415 1322 V N 4.302 124.304 119.914 0.146 0.000 2.495 1322 V HA 0.512 4.633 4.120 0.000 0.000 0.298 1322 V C -0.419 175.811 176.094 0.228 0.000 1.031 1322 V CA -0.635 61.800 62.300 0.225 0.000 0.871 1322 V CB 1.809 33.842 31.823 0.349 0.000 0.988 1322 V HN 0.583 nan 8.190 nan 0.000 0.432 1323 R N 4.251 124.862 120.500 0.186 0.000 2.371 1323 R HA 0.607 4.947 4.340 0.000 0.000 0.312 1323 R C -1.446 174.946 176.300 0.154 0.000 0.980 1323 R CA -0.542 55.654 56.100 0.160 0.000 0.867 1323 R CB 1.157 31.531 30.300 0.123 0.000 1.163 1323 R HN 0.681 nan 8.270 nan 0.000 0.492 1324 I N 7.275 127.940 120.570 0.158 0.000 2.330 1324 I HA 0.336 4.507 4.170 0.000 0.000 0.289 1324 I C -2.027 174.188 176.117 0.165 0.000 1.001 1324 I CA -2.446 58.939 61.300 0.141 0.000 1.193 1324 I CB 1.846 39.910 38.000 0.107 0.000 1.345 1324 I HN 0.505 nan 8.210 nan 0.000 0.461 1325 P HA 0.101 nan 4.420 nan 0.000 0.276 1325 P C -0.541 177.025 177.300 0.444 0.000 1.264 1325 P CA -0.221 63.050 63.100 0.284 0.000 0.769 1325 P CB 0.458 32.288 31.700 0.217 0.000 0.840 1326 T N 1.969 116.712 114.554 0.315 0.000 2.909 1326 T HA 0.485 4.835 4.350 0.000 0.000 0.286 1326 T C -2.536 172.102 174.700 -0.104 0.000 1.002 1326 T CA -2.579 59.548 62.100 0.046 0.000 1.074 1326 T CB 0.547 69.362 68.868 -0.088 0.000 0.984 1326 T HN 0.092 nan 8.240 nan 0.000 0.495 1327 P HA 0.132 nan 4.420 nan 0.000 0.271 1327 P C 0.636 177.685 177.300 -0.418 0.000 1.238 1327 P CA -0.386 61.754 63.100 -1.601 0.000 0.794 1327 P CB 0.358 31.034 31.700 -1.706 0.000 0.959 1328 L N 0.521 121.616 121.223 -0.214 0.000 2.179 1328 L HA -0.071 4.269 4.340 0.000 0.000 0.208 1328 L C 1.474 178.307 176.870 -0.061 0.000 1.096 1328 L CA 1.579 56.413 54.840 -0.010 0.000 0.779 1328 L CB -1.326 40.786 42.059 0.087 0.000 0.922 1328 L HN 0.390 nan 8.230 nan 0.000 0.443 1329 N N -1.676 116.942 118.700 -0.138 0.000 2.471 1329 N HA -0.049 4.691 4.740 0.000 0.000 0.205 1329 N C 0.062 175.501 175.510 -0.119 0.000 1.251 1329 N CA 0.065 53.051 53.050 -0.107 0.000 0.843 1329 N CB -0.777 37.644 38.487 -0.109 0.000 1.044 1329 N HN 0.015 nan 8.380 nan 0.000 0.461 1330 T N 0.203 114.685 114.554 -0.119 0.000 2.817 1330 T HA 0.072 4.423 4.350 0.000 0.000 0.295 1330 T C 1.229 175.917 174.700 -0.021 0.000 0.958 1330 T CA 0.075 62.115 62.100 -0.099 0.000 1.157 1330 T CB 0.825 69.654 68.868 -0.065 0.000 0.898 1330 T HN 0.535 nan 8.240 nan 0.000 0.536 1331 S N 2.696 118.372 115.700 -0.040 0.000 2.506 1331 S HA 0.409 4.879 4.470 0.000 0.000 0.230 1331 S C 0.969 175.577 174.600 0.013 0.000 1.066 1331 S CA 0.014 58.208 58.200 -0.010 0.000 0.940 1331 S CB 0.406 63.590 63.200 -0.028 0.000 0.818 1331 S HN 0.831 nan 8.310 nan 0.000 0.518 1332 G N 0.406 109.193 108.800 -0.021 0.000 2.746 1332 G HA2 0.579 4.539 3.960 0.000 0.000 0.297 1332 G HA3 0.579 4.539 3.960 0.000 0.000 0.297 1332 G C -1.897 172.948 174.900 -0.091 0.000 1.426 1332 G CA -0.540 44.553 45.100 -0.011 0.000 0.989 1332 G HN 0.314 nan 8.290 nan 0.000 0.520 1333 V N 1.169 121.024 119.914 -0.098 0.000 2.638 1333 V HA 0.553 4.673 4.120 0.000 0.000 0.306 1333 V C -0.947 175.080 176.094 -0.111 0.000 1.052 1333 V CA -0.847 61.324 62.300 -0.215 0.000 0.885 1333 V CB 1.900 33.377 31.823 -0.577 0.000 0.999 1333 V HN 0.751 nan 8.190 nan 0.000 0.424 1334 Q N 2.866 122.598 119.800 -0.114 0.000 2.333 1334 Q HA 0.701 5.042 4.340 0.000 0.000 0.268 1334 Q C -0.604 175.337 176.000 -0.098 0.000 1.007 1334 Q CA -0.459 55.297 55.803 -0.078 0.000 0.810 1334 Q CB 2.243 30.942 28.738 -0.064 0.000 1.264 1334 Q HN 0.756 nan 8.270 nan 0.000 0.452 1335 V N -0.194 119.668 119.914 -0.086 0.000 2.815 1335 V HA 0.774 4.895 4.120 0.000 0.000 0.314 1335 V C -0.423 175.602 176.094 -0.115 0.000 1.064 1335 V CA -0.823 61.405 62.300 -0.120 0.000 0.952 1335 V CB 1.756 33.502 31.823 -0.129 0.000 1.020 1335 V HN 0.734 nan 8.190 nan 0.000 0.439 1336 I N 3.000 123.474 120.570 -0.159 0.000 2.607 1336 I HA 0.695 4.865 4.170 0.000 0.000 0.290 1336 I C -0.898 175.097 176.117 -0.205 0.000 1.129 1336 I CA -0.352 60.866 61.300 -0.136 0.000 1.042 1336 I CB 2.157 40.097 38.000 -0.100 0.000 1.242 1336 I HN 1.133 nan 8.210 nan 0.000 0.421 1337 C N 4.596 123.809 119.300 -0.145 0.000 2.931 1337 C HA 0.479 4.940 4.460 0.000 0.000 0.370 1337 C C 0.641 175.652 174.990 0.034 0.000 1.071 1337 C CA -0.809 58.133 59.018 -0.127 0.000 1.266 1337 C CB 1.587 29.171 27.740 -0.261 0.000 1.691 1337 C HN 0.773 nan 8.230 nan 0.000 0.511 1338 M N 1.466 121.113 119.600 0.078 0.000 2.388 1338 M HA 0.139 4.620 4.480 0.000 0.000 0.265 1338 M C 0.705 177.082 176.300 0.128 0.000 1.088 1338 M CA 1.222 56.573 55.300 0.084 0.000 1.134 1338 M CB -0.801 31.836 32.600 0.062 0.000 1.384 1338 M HN 0.788 nan 8.290 nan 0.000 0.447 1339 K N -0.044 120.490 120.400 0.223 0.000 2.207 1339 K HA 0.601 4.922 4.320 0.000 0.000 0.255 1339 K C 0.576 177.345 176.600 0.281 0.000 0.941 1339 K CA -0.174 56.231 56.287 0.198 0.000 0.825 1339 K CB 1.638 34.220 32.500 0.137 0.000 1.119 1339 K HN 0.214 nan 8.250 nan 0.000 0.430 1340 G N 2.024 110.906 108.800 0.136 0.000 2.601 1340 G HA2 -0.301 3.659 3.960 0.000 0.000 0.261 1340 G HA3 -0.301 3.659 3.960 0.000 0.000 0.261 1340 G C -1.092 173.956 174.900 0.246 0.000 1.289 1340 G CA -0.351 44.818 45.100 0.116 0.000 0.920 1340 G HN 0.560 nan 8.290 nan 0.000 0.571 1341 K N -0.612 119.956 120.400 0.279 0.000 2.469 1341 K HA 0.756 5.077 4.320 0.000 0.000 0.254 1341 K C -0.565 176.277 176.600 0.404 0.000 0.939 1341 K CA -0.260 56.190 56.287 0.273 0.000 0.812 1341 K CB 2.520 35.108 32.500 0.148 0.000 1.301 1341 K HN 1.546 nan 8.250 nan 0.000 0.433 1342 A N 2.406 125.381 122.820 0.258 0.000 2.402 1342 A HA 0.509 4.829 4.320 0.000 0.000 0.291 1342 A C -1.277 176.373 177.584 0.110 0.000 1.051 1342 A CA -0.897 51.266 52.037 0.209 0.000 0.716 1342 A CB 0.793 19.783 19.000 -0.017 0.000 1.223 1342 A HN 0.698 nan 8.150 nan 0.000 0.425 1343 K N 0.709 121.187 120.400 0.130 0.000 2.185 1343 K HA 0.530 4.850 4.320 0.000 0.000 0.240 1343 K C -1.361 175.340 176.600 0.169 0.000 0.983 1343 K CA -0.726 55.630 56.287 0.115 0.000 0.873 1343 K CB 1.701 34.252 32.500 0.085 0.000 1.118 1343 K HN 0.582 nan 8.250 nan 0.000 0.441 1344 Y N 1.705 122.015 120.300 0.017 0.000 2.721 1344 Y HA 0.271 4.821 4.550 0.000 0.000 0.328 1344 Y C -1.032 174.879 175.900 0.018 0.000 1.003 1344 Y CA -1.350 56.758 58.100 0.014 0.000 1.275 1344 Y CB 0.327 38.784 38.460 -0.005 0.000 1.097 1344 Y HN 0.416 nan 8.280 nan 0.000 0.514 1345 K N 4.766 125.090 120.400 -0.127 0.000 2.262 1345 K HA 0.381 4.701 4.320 0.000 0.000 0.288 1345 K C 1.006 177.328 176.600 -0.465 0.000 1.090 1345 K CA 0.383 56.522 56.287 -0.247 0.000 0.918 1345 K CB 0.760 33.216 32.500 -0.073 0.000 1.139 1345 K HN 0.792 nan 8.250 nan 0.000 0.462 1346 A N 2.130 124.462 122.820 -0.815 0.000 1.969 1346 A HA -0.152 4.168 4.320 0.000 0.000 0.218 1346 A C 2.020 179.461 177.584 -0.238 0.000 1.169 1346 A CA 1.688 53.291 52.037 -0.723 0.000 0.635 1346 A CB -0.396 18.221 19.000 -0.639 0.000 0.810 1346 A HN 0.727 nan 8.150 nan 0.000 0.445 1347 S N -0.063 115.526 115.700 -0.185 0.000 2.488 1347 S HA -0.176 4.294 4.470 0.000 0.000 0.246 1347 S C 1.027 175.602 174.600 -0.041 0.000 0.992 1347 S CA 1.591 59.740 58.200 -0.085 0.000 0.963 1347 S CB -0.336 62.822 63.200 -0.071 0.000 0.754 1347 S HN 0.732 nan 8.310 nan 0.000 0.519 1348 E N -0.020 120.157 120.200 -0.039 0.000 2.601 1348 E HA 0.251 4.602 4.350 0.000 0.000 0.219 1348 E C -0.459 176.188 176.600 0.077 0.000 0.964 1348 E CA -0.441 55.971 56.400 0.021 0.000 1.050 1348 E CB 0.152 29.868 29.700 0.026 0.000 1.068 1348 E HN 0.274 nan 8.360 nan 0.000 0.496 1349 N N 1.157 119.908 118.700 0.086 0.000 2.696 1349 N HA -0.195 4.545 4.740 0.000 0.000 0.256 1349 N C -1.422 174.262 175.510 0.290 0.000 1.031 1349 N CA 1.131 54.313 53.050 0.221 0.000 0.730 1349 N CB -0.927 37.680 38.487 0.199 0.000 0.894 1349 N HN 0.394 nan 8.380 nan 0.000 0.544 1350 A N -0.291 122.732 122.820 0.339 0.000 2.599 1350 A HA 0.660 4.981 4.320 0.000 0.000 0.294 1350 A C -0.679 177.117 177.584 0.352 0.000 1.055 1350 A CA -0.758 51.457 52.037 0.295 0.000 0.683 1350 A CB 1.079 20.195 19.000 0.194 0.000 1.278 1350 A HN 0.139 nan 8.150 nan 0.000 0.412 1351 I N 1.466 122.196 120.570 0.267 0.000 2.336 1351 I HA 0.452 4.623 4.170 0.000 0.000 0.292 1351 I C -0.477 175.755 176.117 0.193 0.000 0.991 1351 I CA -0.967 60.475 61.300 0.238 0.000 1.227 1351 I CB 1.668 39.735 38.000 0.111 0.000 1.366 1351 I HN 0.315 nan 8.210 nan 0.000 0.466 1352 V N 5.329 125.356 119.914 0.189 0.000 2.370 1352 V HA 0.235 4.356 4.120 0.000 0.000 0.279 1352 V C -0.787 175.472 176.094 0.276 0.000 1.029 1352 V CA -0.488 61.930 62.300 0.196 0.000 0.870 1352 V CB 1.252 33.159 31.823 0.141 0.000 0.984 1352 V HN 0.634 nan 8.190 nan 0.000 0.451 1353 W N 5.921 127.257 121.300 0.060 0.000 2.361 1353 W HA 0.589 5.249 4.660 0.000 0.000 0.314 1353 W C -0.405 176.143 176.519 0.047 0.000 1.041 1353 W CA -1.766 55.608 57.345 0.048 0.000 1.241 1353 W CB 1.298 30.783 29.460 0.042 0.000 1.279 1353 W HN 0.474 nan 8.180 nan 0.000 0.436 1354 K N 6.941 127.410 120.400 0.115 0.000 2.274 1354 K HA 0.559 4.880 4.320 0.000 0.000 0.262 1354 K C -0.723 175.759 176.600 -0.196 0.000 0.961 1354 K CA -0.706 55.547 56.287 -0.056 0.000 0.833 1354 K CB 2.212 34.731 32.500 0.032 0.000 1.102 1354 K HN 0.334 nan 8.250 nan 0.000 0.436 1355 I N 3.978 124.380 120.570 -0.280 0.000 2.411 1355 I HA 0.105 4.275 4.170 0.000 0.000 0.284 1355 I C 1.097 177.137 176.117 -0.127 0.000 1.012 1355 I CA -0.585 60.552 61.300 -0.272 0.000 1.119 1355 I CB 1.438 39.156 38.000 -0.471 0.000 1.261 1355 I HN 0.582 nan 8.210 nan 0.000 0.448 1356 K N 5.692 126.050 120.400 -0.071 0.000 2.071 1356 K HA -0.185 4.135 4.320 0.000 0.000 0.217 1356 K C 0.413 177.001 176.600 -0.020 0.000 1.054 1356 K CA 1.762 58.030 56.287 -0.031 0.000 0.937 1356 K CB -0.048 32.442 32.500 -0.017 0.000 0.719 1356 K HN 0.675 nan 8.250 nan 0.000 0.454 1357 R N -1.402 119.083 120.500 -0.026 0.000 2.765 1357 R HA 0.473 4.813 4.340 0.000 0.000 0.277 1357 R C -1.249 175.050 176.300 -0.001 0.000 1.028 1357 R CA -0.737 55.367 56.100 0.007 0.000 0.860 1357 R CB 1.004 31.318 30.300 0.023 0.000 1.270 1357 R HN 0.042 nan 8.270 nan 0.000 0.484 1358 M N 1.623 121.256 119.600 0.054 0.000 2.322 1358 M HA 0.591 5.072 4.480 0.000 0.000 0.286 1358 M C -1.177 175.203 176.300 0.133 0.000 1.111 1358 M CA -0.462 54.861 55.300 0.038 0.000 0.941 1358 M CB 2.474 35.041 32.600 -0.055 0.000 1.671 1358 M HN 0.990 nan 8.290 nan 0.000 0.470 1359 A N 2.801 125.658 122.820 0.062 0.000 2.262 1359 A HA 0.736 5.056 4.320 0.000 0.000 0.273 1359 A C 0.439 177.994 177.584 -0.047 0.000 1.202 1359 A CA 0.175 52.256 52.037 0.073 0.000 0.811 1359 A CB -0.257 18.752 19.000 0.015 0.000 1.159 1359 A HN 0.970 nan 8.150 nan 0.000 0.505 1360 G N -2.056 106.662 108.800 -0.136 0.000 2.528 1360 G HA2 0.495 4.455 3.960 0.000 0.000 0.289 1360 G HA3 0.495 4.455 3.960 0.000 0.000 0.289 1360 G C 0.111 174.793 174.900 -0.362 0.000 1.192 1360 G CA -0.534 44.223 45.100 -0.570 0.000 0.921 1360 G HN 0.789 nan 8.290 nan 0.000 0.512 1361 M N -0.329 119.032 119.600 -0.398 0.000 3.116 1361 M HA -0.152 4.329 4.480 0.000 0.000 0.169 1361 M C -0.107 176.100 176.300 -0.154 0.000 1.303 1361 M CA 1.168 56.340 55.300 -0.213 0.000 0.799 1361 M CB -2.184 30.332 32.600 -0.139 0.000 1.243 1361 M HN 0.680 nan 8.290 nan 0.000 0.690 1362 K N 0.377 120.684 120.400 -0.156 0.000 2.597 1362 K HA 0.570 4.890 4.320 0.000 0.000 0.282 1362 K C -0.387 176.157 176.600 -0.093 0.000 0.975 1362 K CA -0.989 55.235 56.287 -0.106 0.000 0.867 1362 K CB 2.866 35.303 32.500 -0.105 0.000 1.465 1362 K HN 0.504 nan 8.250 nan 0.000 0.417 1363 E N 0.358 120.523 120.200 -0.057 0.000 2.336 1363 E HA 0.705 5.055 4.350 0.000 0.000 0.267 1363 E C -1.179 175.414 176.600 -0.011 0.000 0.906 1363 E CA -0.850 55.529 56.400 -0.036 0.000 0.781 1363 E CB 2.233 31.928 29.700 -0.008 0.000 1.261 1363 E HN 0.342 nan 8.360 nan 0.000 0.436 1364 S N 0.285 116.002 115.700 0.028 0.000 2.556 1364 S HA 0.324 4.794 4.470 0.000 0.000 0.271 1364 S C -1.447 173.294 174.600 0.235 0.000 1.135 1364 S CA -0.799 57.475 58.200 0.123 0.000 0.858 1364 S CB 2.014 65.266 63.200 0.086 0.000 1.114 1364 S HN 0.599 nan 8.310 nan 0.000 0.468 1365 Q N 1.476 121.425 119.800 0.248 0.000 2.423 1365 Q HA 0.810 5.150 4.340 0.000 0.000 0.278 1365 Q C -1.852 174.073 176.000 -0.124 0.000 1.097 1365 Q CA -0.767 55.100 55.803 0.108 0.000 0.809 1365 Q CB 2.016 30.771 28.738 0.028 0.000 1.391 1365 Q HN 0.769 nan 8.270 nan 0.000 0.428 1366 I N 1.958 122.309 120.570 -0.364 0.000 2.607 1366 I HA 0.516 4.686 4.170 0.000 0.000 0.290 1366 I C -1.614 174.290 176.117 -0.355 0.000 1.129 1366 I CA -0.279 60.618 61.300 -0.672 0.000 1.042 1366 I CB 2.116 39.233 38.000 -1.472 0.000 1.242 1366 I HN 0.827 nan 8.210 nan 0.000 0.421 1367 S N 5.590 121.123 115.700 -0.279 0.000 2.570 1367 S HA 1.009 5.479 4.470 0.000 0.000 0.286 1367 S C -0.886 173.613 174.600 -0.170 0.000 1.099 1367 S CA -0.502 57.592 58.200 -0.176 0.000 0.913 1367 S CB 2.152 65.281 63.200 -0.119 0.000 1.085 1367 S HN 1.111 nan 8.310 nan 0.000 0.480 1368 A N 0.827 123.565 122.820 -0.136 0.000 2.594 1368 A HA 0.722 5.042 4.320 0.000 0.000 0.296 1368 A C -1.278 176.235 177.584 -0.118 0.000 1.061 1368 A CA -0.630 51.327 52.037 -0.134 0.000 0.689 1368 A CB 1.502 20.407 19.000 -0.158 0.000 1.280 1368 A HN 0.872 nan 8.150 nan 0.000 0.406 1369 E N 1.363 121.494 120.200 -0.115 0.000 2.151 1369 E HA 0.549 4.900 4.350 0.000 0.000 0.275 1369 E C -1.487 175.029 176.600 -0.140 0.000 0.936 1369 E CA -0.555 55.780 56.400 -0.108 0.000 0.777 1369 E CB 0.830 30.480 29.700 -0.084 0.000 1.108 1369 E HN 0.445 nan 8.360 nan 0.000 0.401 1370 I N 4.090 124.568 120.570 -0.153 0.000 2.339 1370 I HA 0.137 4.307 4.170 0.000 0.000 0.290 1370 I C 0.040 176.062 176.117 -0.158 0.000 0.994 1370 I CA -0.302 60.879 61.300 -0.198 0.000 1.191 1370 I CB 1.566 39.415 38.000 -0.251 0.000 1.343 1370 I HN 0.409 nan 8.210 nan 0.000 0.458 1371 E N 6.573 126.688 120.200 -0.142 0.000 2.283 1371 E HA 0.586 4.936 4.350 0.000 0.000 0.278 1371 E C -1.070 175.460 176.600 -0.116 0.000 1.027 1371 E CA -0.509 55.828 56.400 -0.105 0.000 0.843 1371 E CB 1.279 30.934 29.700 -0.075 0.000 1.062 1371 E HN 0.399 nan 8.360 nan 0.000 0.401 1372 L N 3.248 124.410 121.223 -0.102 0.000 2.386 1372 L HA 0.441 4.782 4.340 0.000 0.000 0.271 1372 L C -0.635 176.192 176.870 -0.072 0.000 0.993 1372 L CA -0.872 53.904 54.840 -0.107 0.000 0.819 1372 L CB 1.222 43.202 42.059 -0.131 0.000 1.294 1372 L HN 0.335 nan 8.230 nan 0.000 0.414 1373 L N 3.517 124.702 121.223 -0.063 0.000 2.326 1373 L HA 0.397 4.737 4.340 0.000 0.000 0.278 1373 L C -2.034 174.812 176.870 -0.039 0.000 1.092 1373 L CA -1.797 53.018 54.840 -0.042 0.000 0.810 1373 L CB 0.807 42.846 42.059 -0.032 0.000 1.153 1373 L HN 0.299 nan 8.230 nan 0.000 0.439 1374 P HA -0.032 nan 4.420 nan 0.000 0.259 1374 P C -0.812 176.478 177.300 -0.017 0.000 1.163 1374 P CA 0.215 63.302 63.100 -0.022 0.000 0.760 1374 P CB 0.163 31.854 31.700 -0.016 0.000 0.762 1375 T N 0.288 114.834 114.554 -0.014 0.000 2.893 1375 T HA 0.420 4.770 4.350 0.000 0.000 0.293 1375 T C -0.181 174.522 174.700 0.005 0.000 1.027 1375 T CA -1.047 61.050 62.100 -0.005 0.000 0.988 1375 T CB 1.468 70.333 68.868 -0.006 0.000 1.043 1375 T HN 0.137 nan 8.240 nan 0.000 0.461 1381 W N 2.912 124.214 121.300 0.002 0.000 2.510 1381 W HA 0.478 5.138 4.660 0.000 0.000 0.388 1381 W C -0.171 176.350 176.519 0.004 0.000 1.092 1381 W CA -0.328 57.019 57.345 0.004 0.000 1.562 1381 W CB -0.418 29.043 29.460 0.003 0.000 1.603 1381 W HN 0.485 nan 8.180 nan 0.000 0.396 1382 A N 6.354 128.974 122.820 -0.334 0.000 2.561 1382 A HA 0.098 4.419 4.320 0.000 0.000 0.251 1382 A C 0.412 177.477 177.584 -0.865 0.000 1.062 1382 A CA 0.112 51.904 52.037 -0.407 0.000 0.761 1382 A CB 0.004 18.844 19.000 -0.266 0.000 0.986 1382 A HN 0.700 nan 8.150 nan 0.000 0.510 1383 R N 3.550 123.634 120.500 -0.693 0.000 2.196 1383 R HA 0.311 4.651 4.340 0.000 0.000 0.340 1383 R C -2.580 173.444 176.300 -0.461 0.000 1.043 1383 R CA -1.460 54.134 56.100 -0.844 0.000 0.883 1383 R CB 0.323 30.363 30.300 -0.433 0.000 1.078 1383 R HN 0.488 nan 8.270 nan 0.000 0.462 1384 P HA 0.015 nan 4.420 nan 0.000 0.265 1384 P C -2.247 174.988 177.300 -0.108 0.000 1.193 1384 P CA -0.953 62.032 63.100 -0.192 0.000 0.765 1384 P CB 0.170 31.802 31.700 -0.112 0.000 0.823 1385 P HA 0.028 nan 4.420 nan 0.000 0.269 1385 P C -0.334 176.973 177.300 0.011 0.000 1.217 1385 P CA 0.263 63.344 63.100 -0.031 0.000 0.783 1385 P CB 0.610 32.289 31.700 -0.033 0.000 0.898 1386 I N 1.316 121.908 120.570 0.037 0.000 2.363 1386 I HA 0.052 4.222 4.170 0.000 0.000 0.292 1386 I C 1.397 177.569 176.117 0.092 0.000 1.075 1386 I CA -0.238 61.109 61.300 0.079 0.000 1.333 1386 I CB 0.034 38.094 38.000 0.101 0.000 1.415 1386 I HN 0.316 nan 8.210 nan 0.000 0.502 1387 S N 6.818 122.575 115.700 0.096 0.000 2.614 1387 S HA 0.705 5.175 4.470 0.000 0.000 0.265 1387 S C -0.389 174.303 174.600 0.154 0.000 1.303 1387 S CA -0.783 57.479 58.200 0.102 0.000 1.000 1387 S CB 1.991 65.233 63.200 0.071 0.000 0.935 1387 S HN 0.726 nan 8.310 nan 0.000 0.551 1388 M N 1.817 121.519 119.600 0.170 0.000 2.365 1388 M HA 0.460 4.940 4.480 0.000 0.000 0.287 1388 M C -2.373 173.944 176.300 0.028 0.000 1.154 1388 M CA -0.481 54.941 55.300 0.204 0.000 0.941 1388 M CB 1.807 34.658 32.600 0.420 0.000 1.704 1388 M HN 0.775 nan 8.290 nan 0.000 0.479 1389 N N 3.740 122.437 118.700 -0.005 0.000 2.240 1389 N HA 0.851 5.591 4.740 0.000 0.000 0.302 1389 N C -1.393 174.087 175.510 -0.050 0.000 1.106 1389 N CA -0.068 52.867 53.050 -0.191 0.000 0.778 1389 N CB 1.857 40.289 38.487 -0.091 0.000 1.431 1389 N HN 0.683 nan 8.380 nan 0.000 0.479 1390 F N -1.300 118.618 119.950 -0.054 0.000 3.913 1390 F HA 0.633 5.160 4.527 0.000 0.000 0.331 1390 F C -1.327 174.395 175.800 -0.131 0.000 1.092 1390 F CA -0.980 56.990 58.000 -0.050 0.000 0.849 1390 F CB 1.218 40.225 39.000 0.012 0.000 1.719 1390 F HN 0.354 nan 8.300 nan 0.000 0.510 1391 E N 1.136 121.569 120.200 0.389 0.000 2.677 1391 E HA 0.515 4.865 4.350 0.000 0.000 0.330 1391 E C -2.211 174.330 176.600 -0.100 0.000 0.933 1391 E CA -0.686 55.775 56.400 0.101 0.000 0.797 1391 E CB 2.100 31.812 29.700 0.019 0.000 1.326 1391 E HN 1.068 nan 8.360 nan 0.000 0.404 1392 V N 2.035 121.770 119.914 -0.299 0.000 2.555 1392 V HA 0.690 4.810 4.120 0.000 0.000 0.302 1392 V C -2.217 173.641 176.094 -0.393 0.000 1.038 1392 V CA -1.976 60.022 62.300 -0.505 0.000 0.887 1392 V CB 1.514 32.735 31.823 -1.003 0.000 0.991 1392 V HN 0.582 nan 8.190 nan 0.000 0.434 1393 P HA 0.146 nan 4.420 nan 0.000 0.285 1393 P C -0.505 176.878 177.300 0.140 0.000 1.521 1393 P CA 0.457 63.543 63.100 -0.023 0.000 0.792 1393 P CB -0.956 30.747 31.700 0.006 0.000 1.613 1394 F N -3.049 116.883 119.950 -0.031 0.000 2.715 1394 F HA 0.773 5.300 4.527 0.000 0.000 0.318 1394 F C -1.188 174.627 175.800 0.025 0.000 1.141 1394 F CA -2.061 55.999 58.000 0.099 0.000 0.950 1394 F CB 0.601 39.601 39.000 0.001 0.000 1.374 1394 F HN -0.215 nan 8.300 nan 0.000 0.477 1395 A N 1.890 124.801 122.820 0.153 0.000 2.415 1395 A HA 0.530 4.850 4.320 0.000 0.000 0.309 1395 A C -2.150 175.479 177.584 0.075 0.000 1.356 1395 A CA -1.481 50.517 52.037 -0.065 0.000 0.998 1395 A CB -0.520 18.346 19.000 -0.222 0.000 1.145 1395 A HN 0.611 nan 8.150 nan 0.000 0.545 1396 P HA -0.190 nan 4.420 nan 0.000 0.222 1396 P C 1.505 178.863 177.300 0.097 0.000 1.142 1396 P CA 1.907 65.014 63.100 0.012 0.000 0.788 1396 P CB 0.244 31.863 31.700 -0.134 0.000 0.767 1397 S N -2.793 112.947 115.700 0.066 0.000 2.478 1397 S HA 0.242 4.712 4.470 0.000 0.000 0.222 1397 S C 1.755 176.416 174.600 0.101 0.000 1.008 1397 S CA 0.668 58.920 58.200 0.087 0.000 0.928 1397 S CB -0.773 62.493 63.200 0.110 0.000 0.781 1397 S HN 0.261 nan 8.310 nan 0.000 0.518 1398 G N 0.901 109.763 108.800 0.103 0.000 2.179 1398 G HA2 -0.207 3.753 3.960 0.000 0.000 0.220 1398 G HA3 -0.207 3.753 3.960 0.000 0.000 0.220 1398 G C -0.085 174.843 174.900 0.047 0.000 0.990 1398 G CA -0.000 45.152 45.100 0.087 0.000 0.646 1398 G HN 0.622 nan 8.290 nan 0.000 0.517 1399 L N 1.144 122.380 121.223 0.021 0.000 2.455 1399 L HA 0.550 4.890 4.340 0.000 0.000 0.272 1399 L C -0.304 176.480 176.870 -0.143 0.000 1.174 1399 L CA 0.010 54.830 54.840 -0.034 0.000 0.869 1399 L CB 0.362 42.406 42.059 -0.025 0.000 1.130 1399 L HN -0.026 nan 8.230 nan 0.000 0.474 1400 K N 4.519 124.873 120.400 -0.078 0.000 2.468 1400 K HA 0.373 4.694 4.320 0.000 0.000 0.252 1400 K C -1.260 175.342 176.600 0.003 0.000 0.932 1400 K CA -0.670 55.599 56.287 -0.029 0.000 0.794 1400 K CB 2.309 34.863 32.500 0.090 0.000 1.241 1400 K HN 0.347 nan 8.250 nan 0.000 0.428 1401 V N 4.309 124.268 119.914 0.074 0.000 2.455 1401 V HA 0.215 4.335 4.120 0.000 0.000 0.273 1401 V C 1.532 177.584 176.094 -0.070 0.000 1.045 1401 V CA -0.069 62.176 62.300 -0.090 0.000 0.976 1401 V CB 0.782 32.544 31.823 -0.100 0.000 0.993 1401 V HN 0.619 nan 8.190 nan 0.000 0.475 1402 R N 3.447 123.856 120.500 -0.152 0.000 2.156 1402 R HA 0.206 4.546 4.340 0.000 0.000 0.207 1402 R C -0.280 176.076 176.300 0.092 0.000 1.040 1402 R CA 0.683 56.782 56.100 -0.001 0.000 1.013 1402 R CB 0.406 30.761 30.300 0.091 0.000 0.931 1402 R HN 0.845 nan 8.270 nan 0.000 0.465 1403 Y N -3.123 117.088 120.300 -0.149 0.000 2.717 1403 Y HA 0.426 4.976 4.550 0.000 0.000 0.345 1403 Y C -2.004 173.803 175.900 -0.155 0.000 1.187 1403 Y CA -1.776 56.252 58.100 -0.121 0.000 1.128 1403 Y CB 0.724 39.148 38.460 -0.060 0.000 1.360 1403 Y HN -0.197 nan 8.280 nan 0.000 0.467 1404 L N 3.128 124.422 121.223 0.118 0.000 2.514 1404 L HA 0.545 4.885 4.340 0.000 0.000 0.257 1404 L C -1.348 175.624 176.870 0.171 0.000 1.101 1404 L CA -0.845 54.055 54.840 0.100 0.000 0.911 1404 L CB 1.071 43.142 42.059 0.020 0.000 1.162 1404 L HN 0.670 nan 8.230 nan 0.000 0.477 1405 K N 2.442 123.004 120.400 0.269 0.000 2.401 1405 K HA 0.547 4.867 4.320 0.000 0.000 0.278 1405 K C -0.796 175.875 176.600 0.119 0.000 1.018 1405 K CA -0.217 56.165 56.287 0.159 0.000 0.981 1405 K CB 1.316 33.903 32.500 0.144 0.000 0.933 1405 K HN 0.332 nan 8.250 nan 0.000 0.477 1406 V N 4.226 124.211 119.914 0.120 0.000 2.577 1406 V HA 0.452 4.572 4.120 0.000 0.000 0.303 1406 V C -1.321 174.948 176.094 0.291 0.000 1.042 1406 V CA -0.844 61.546 62.300 0.151 0.000 0.872 1406 V CB 1.209 33.100 31.823 0.114 0.000 0.998 1406 V HN 0.622 nan 8.190 nan 0.000 0.423 1407 F N 3.890 123.884 119.950 0.074 0.000 2.573 1407 F HA 0.700 5.228 4.527 0.000 0.000 0.316 1407 F C -0.641 175.150 175.800 -0.015 0.000 1.148 1407 F CA -0.987 57.043 58.000 0.050 0.000 0.940 1407 F CB 2.007 41.004 39.000 -0.005 0.000 1.214 1407 F HN 0.567 nan 8.300 nan 0.000 0.448 1408 E N 8.555 128.324 120.200 -0.719 0.000 2.129 1408 E HA 0.480 4.830 4.350 0.000 0.000 0.268 1408 E C -2.286 173.640 176.600 -1.124 0.000 0.900 1408 E CA -2.559 53.317 56.400 -0.873 0.000 0.755 1408 E CB 1.723 30.771 29.700 -1.087 0.000 1.117 1408 E HN 0.298 nan 8.360 nan 0.000 0.410 1409 P HA -0.122 nan 4.420 nan 0.000 0.214 1409 P C 0.477 177.550 177.300 -0.378 0.000 1.162 1409 P CA 1.202 63.891 63.100 -0.685 0.000 0.871 1409 P CB 0.419 31.901 31.700 -0.363 0.000 0.783 1410 K N -0.296 119.919 120.400 -0.308 0.000 1.965 1410 K HA -0.053 4.267 4.320 0.000 0.000 0.214 1410 K C 1.677 178.141 176.600 -0.226 0.000 1.046 1410 K CA 0.877 57.037 56.287 -0.211 0.000 0.944 1410 K CB -0.925 31.472 32.500 -0.171 0.000 0.726 1410 K HN 0.088 nan 8.250 nan 0.000 0.441 1411 L N 1.599 122.640 121.223 -0.303 0.000 2.367 1411 L HA -0.102 4.239 4.340 0.000 0.000 0.215 1411 L C 1.403 178.106 176.870 -0.279 0.000 1.197 1411 L CA -0.001 54.664 54.840 -0.292 0.000 0.836 1411 L CB -0.031 41.773 42.059 -0.425 0.000 1.242 1411 L HN 0.370 nan 8.230 nan 0.000 0.553 1412 N N -1.628 116.964 118.700 -0.181 0.000 2.388 1412 N HA -0.070 4.671 4.740 0.000 0.000 0.176 1412 N C -0.039 175.489 175.510 0.029 0.000 1.062 1412 N CA -0.047 52.968 53.050 -0.060 0.000 0.895 1412 N CB -0.447 38.048 38.487 0.013 0.000 1.018 1412 N HN 0.477 nan 8.380 nan 0.000 0.456 1413 Y N 1.318 121.636 120.300 0.029 0.000 2.480 1413 Y HA 0.535 5.085 4.550 0.000 0.000 0.338 1413 Y C 0.574 176.559 175.900 0.141 0.000 1.220 1413 Y CA -1.778 56.362 58.100 0.067 0.000 1.430 1413 Y CB 0.176 38.657 38.460 0.035 0.000 1.311 1413 Y HN 0.103 nan 8.280 nan 0.000 0.575 1414 S N 0.982 116.950 115.700 0.447 0.000 2.745 1414 S HA 0.357 4.827 4.470 0.000 0.000 0.306 1414 S C 0.258 175.008 174.600 0.250 0.000 1.137 1414 S CA -0.175 58.259 58.200 0.389 0.000 0.900 1414 S CB 1.412 64.764 63.200 0.253 0.000 1.176 1414 S HN 0.745 nan 8.310 nan 0.000 0.520 1415 D N 0.511 121.008 120.400 0.162 0.000 2.154 1415 D HA -0.210 4.430 4.640 0.000 0.000 0.190 1415 D C 1.670 177.974 176.300 0.006 0.000 1.003 1415 D CA 2.044 56.077 54.000 0.055 0.000 0.849 1415 D CB -0.322 40.489 40.800 0.019 0.000 0.942 1415 D HN 0.668 nan 8.370 nan 0.000 0.446 1416 H N 0.371 119.438 119.070 -0.004 0.000 2.472 1416 H HA -0.139 4.417 4.556 0.000 0.000 0.296 1416 H C 0.778 176.082 175.328 -0.041 0.000 1.120 1416 H CA 1.491 57.525 56.048 -0.024 0.000 1.250 1416 H CB 0.184 29.943 29.762 -0.005 0.000 1.366 1416 H HN 0.315 nan 8.280 nan 0.000 0.524 1417 D N -0.131 120.309 120.400 0.066 0.000 2.350 1417 D HA 0.039 4.679 4.640 0.000 0.000 0.213 1417 D C 0.456 176.660 176.300 -0.160 0.000 1.031 1417 D CA 0.089 54.084 54.000 -0.008 0.000 0.861 1417 D CB 0.827 41.659 40.800 0.053 0.000 0.926 1417 D HN 0.054 nan 8.370 nan 0.000 0.520 1418 V N 1.772 121.569 119.914 -0.195 0.000 2.481 1418 V HA 0.226 4.346 4.120 0.000 0.000 0.286 1418 V C 0.103 176.018 176.094 -0.299 0.000 1.042 1418 V CA -0.745 61.396 62.300 -0.266 0.000 0.928 1418 V CB 1.901 33.583 31.823 -0.235 0.000 0.986 1418 V HN -0.148 nan 8.190 nan 0.000 0.462 1419 I N 5.135 125.486 120.570 -0.364 0.000 2.304 1419 I HA 0.349 4.519 4.170 0.000 0.000 0.291 1419 I C 0.261 175.987 176.117 -0.653 0.000 1.018 1419 I CA 0.053 61.031 61.300 -0.537 0.000 1.260 1419 I CB 0.815 38.485 38.000 -0.550 0.000 1.390 1419 I HN 0.509 nan 8.210 nan 0.000 0.475 1420 K N 5.885 125.888 120.400 -0.662 0.000 2.274 1420 K HA 0.500 4.821 4.320 0.000 0.000 0.262 1420 K C -1.512 174.779 176.600 -0.515 0.000 0.961 1420 K CA -0.476 55.511 56.287 -0.500 0.000 0.833 1420 K CB 1.433 33.773 32.500 -0.266 0.000 1.102 1420 K HN 0.438 nan 8.250 nan 0.000 0.436 1421 W N 2.411 123.590 121.300 -0.202 0.000 2.587 1421 W HA 0.471 5.131 4.660 0.000 0.000 0.324 1421 W C -0.421 176.100 176.519 0.003 0.000 1.040 1421 W CA -0.963 56.327 57.345 -0.092 0.000 1.222 1421 W CB 1.561 30.993 29.460 -0.046 0.000 1.381 1421 W HN 0.156 nan 8.180 nan 0.000 0.483 1422 V N 2.550 122.624 119.914 0.268 0.000 3.166 1422 V HA 0.716 4.837 4.120 0.000 0.000 0.317 1422 V C -0.507 175.614 176.094 0.045 0.000 1.136 1422 V CA -1.392 60.985 62.300 0.129 0.000 1.035 1422 V CB 2.173 34.009 31.823 0.022 0.000 1.110 1422 V HN 0.544 nan 8.190 nan 0.000 0.450 1423 R N 0.907 121.400 120.500 -0.011 0.000 3.170 1423 R HA 0.310 4.650 4.340 0.000 0.000 0.257 1423 R C -2.522 173.837 176.300 0.099 0.000 1.139 1423 R CA -0.525 55.535 56.100 -0.065 0.000 1.158 1423 R CB 0.770 31.067 30.300 -0.005 0.000 1.269 1423 R HN 0.584 nan 8.270 nan 0.000 0.459 1424 Y N 4.962 125.272 120.300 0.016 0.000 2.330 1424 Y HA 0.524 5.074 4.550 0.000 0.000 0.336 1424 Y C 0.477 176.347 175.900 -0.050 0.000 1.036 1424 Y CA -1.412 56.686 58.100 -0.003 0.000 1.125 1424 Y CB 1.404 39.874 38.460 0.017 0.000 1.194 1424 Y HN 0.390 nan 8.280 nan 0.000 0.469 1425 I N 2.888 123.514 120.570 0.094 0.000 2.698 1425 I HA 0.313 4.483 4.170 0.000 0.000 0.276 1425 I C 0.412 176.477 176.117 -0.086 0.000 1.166 1425 I CA -0.555 60.734 61.300 -0.019 0.000 1.101 1425 I CB 1.216 39.205 38.000 -0.017 0.000 1.305 1425 I HN 0.778 nan 8.210 nan 0.000 0.526 1426 G N 5.744 114.430 108.800 -0.189 0.000 2.338 1426 G HA2 0.474 4.434 3.960 0.000 0.000 0.295 1426 G HA3 0.474 4.434 3.960 0.000 0.000 0.295 1426 G C 0.166 174.951 174.900 -0.192 0.000 1.132 1426 G CA -0.443 44.503 45.100 -0.256 0.000 0.922 1426 G HN 0.632 nan 8.290 nan 0.000 0.427 1427 R N 0.749 121.162 120.500 -0.146 0.000 2.705 1427 R HA 0.778 5.118 4.340 0.000 0.000 0.246 1427 R C -0.315 175.831 176.300 -0.257 0.000 1.142 1427 R CA -0.701 55.313 56.100 -0.144 0.000 1.114 1427 R CB 1.061 31.281 30.300 -0.133 0.000 1.256 1427 R HN 0.473 nan 8.270 nan 0.000 0.536 1428 S N -1.198 114.228 115.700 -0.456 0.000 2.500 1428 S HA 0.603 5.073 4.470 0.000 0.000 0.301 1428 S C -0.031 174.344 174.600 -0.375 0.000 1.092 1428 S CA -0.422 57.383 58.200 -0.658 0.000 1.030 1428 S CB 2.010 64.260 63.200 -1.583 0.000 1.031 1428 S HN 0.811 nan 8.310 nan 0.000 0.483 1429 G N 1.421 110.072 108.800 -0.247 0.000 2.968 1429 G HA2 0.385 4.345 3.960 0.000 0.000 0.206 1429 G HA3 0.385 4.345 3.960 0.000 0.000 0.206 1429 G C -0.135 174.708 174.900 -0.094 0.000 2.051 1429 G CA -0.844 44.167 45.100 -0.149 0.000 0.773 1429 G HN 0.752 nan 8.290 nan 0.000 0.741 1430 I N 1.358 121.890 120.570 -0.064 0.000 2.270 1430 I HA 0.183 4.353 4.170 0.000 0.000 0.300 1430 I C -1.075 175.046 176.117 0.007 0.000 1.186 1430 I CA 0.076 61.358 61.300 -0.031 0.000 1.431 1430 I CB -0.184 37.793 38.000 -0.038 0.000 1.485 1430 I HN 0.195 nan 8.210 nan 0.000 0.650 1431 Y N 5.412 125.641 120.300 -0.118 0.000 2.721 1431 Y HA 0.386 4.937 4.550 0.000 0.000 0.328 1431 Y C -0.074 175.817 175.900 -0.014 0.000 1.003 1431 Y CA -0.484 57.570 58.100 -0.077 0.000 1.275 1431 Y CB 0.617 38.994 38.460 -0.138 0.000 1.097 1431 Y HN 0.483 nan 8.280 nan 0.000 0.514 1432 E N 2.327 122.462 120.200 -0.109 0.000 2.293 1432 E HA 0.435 4.785 4.350 0.000 0.000 0.270 1432 E C -1.063 175.479 176.600 -0.097 0.000 0.879 1432 E CA -1.033 55.336 56.400 -0.051 0.000 0.756 1432 E CB 2.141 31.825 29.700 -0.026 0.000 1.208 1432 E HN 0.297 nan 8.360 nan 0.000 0.428 1433 T N 2.068 116.604 114.554 -0.031 0.000 2.779 1433 T HA 0.306 4.657 4.350 0.000 0.000 0.280 1433 T C -0.128 174.566 174.700 -0.011 0.000 0.987 1433 T CA -0.797 61.286 62.100 -0.028 0.000 0.966 1433 T CB 0.712 69.589 68.868 0.016 0.000 0.933 1433 T HN 0.237 nan 8.240 nan 0.000 0.442 1434 R N 1.395 121.881 120.500 -0.024 0.000 2.486 1434 R HA 0.088 4.428 4.340 0.000 0.000 0.303 1434 R C 1.093 177.386 176.300 -0.010 0.000 0.958 1434 R CA -0.310 55.775 56.100 -0.025 0.000 1.077 1434 R CB -0.098 30.185 30.300 -0.028 0.000 0.921 1434 R HN 0.747 nan 8.270 nan 0.000 0.406 1435 C N 0.000 119.291 119.300 -0.016 0.000 2.653 1435 C HA 0.000 4.460 4.460 0.000 0.000 0.325 1435 C CA 0.000 59.020 59.018 0.004 0.000 1.963 1435 C CB 0.000 27.735 27.740 -0.009 0.000 2.134 1435 C HN 0.000 nan 8.230 nan 0.000 0.568