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 2aqo_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIDYTAAGFT LLQGAHLYAP EDRGICDVLV ANGKIIAVAS NIPSDIVPNC DATA SEQUENCE TVVDLSGQIL CPGFIDQHVH LIGGGGQAGP TTRTPEVALS RLTEAGVTSV DATA SEQUENCE VGLLGTDSIS RHPESLLAKT RALNEEGISA WMLTGAYHVP SRTITGSVEK DATA SEQUENCE DVAIIDRVIG VXCAISDHRS AAPDVYHLAN MAAESRVGGL LGGKPGVTVF DATA SEQUENCE HMGDSKKALQ PIYDLLENCD VPISKLLPTH VNRNVPLFEQ ALEFARKGGT DATA SEQUENCE IDITSSIDEP VAPAEGIARA VQAGIPLARV TLSSDGNGSQ XXXXXXXXXX DATA SEQUENCE XIGVAGFETL LETVQVLVKD YDFSISDALR PLTSSVAGFL NLTGKGEILP DATA SEQUENCE GNDADLLVMT PELRIEQVYA RGKLMVKDGK ACVKGTFET 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.282 176.300 -0.031 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.610 32.600 0.016 0.000 1.302 2 I N 2.565 123.106 120.570 -0.048 0.000 2.416 2 I HA 0.174 4.343 4.170 -0.001 0.000 0.288 2 I C 0.161 176.070 176.117 -0.347 0.000 1.051 2 I CA -0.180 60.975 61.300 -0.243 0.000 1.375 2 I CB 0.663 38.446 38.000 -0.362 0.000 1.407 2 I HN 0.485 nan 8.210 nan 0.000 0.516 3 D N 5.997 126.178 120.400 -0.366 0.000 2.313 3 D HA 0.151 4.790 4.640 -0.001 0.000 0.239 3 D C -0.381 175.712 176.300 -0.344 0.000 1.142 3 D CA 0.094 53.952 54.000 -0.237 0.000 0.847 3 D CB 0.534 41.259 40.800 -0.124 0.000 1.082 3 D HN 0.334 nan 8.370 nan 0.000 0.480 4 Y N 1.104 121.438 120.300 0.057 0.000 2.660 4 Y HA 0.059 4.608 4.550 -0.001 0.000 0.254 4 Y C 2.262 178.172 175.900 0.018 0.000 1.176 4 Y CA -0.116 58.030 58.100 0.077 0.000 1.195 4 Y CB 0.465 39.044 38.460 0.198 0.000 1.190 4 Y HN 0.425 nan 8.280 nan 0.000 0.535 5 T N -2.688 111.932 114.554 0.111 0.000 2.897 5 T HA -0.232 4.117 4.350 -0.001 0.000 0.271 5 T C 2.165 176.842 174.700 -0.038 0.000 1.084 5 T CA 1.136 63.261 62.100 0.042 0.000 1.123 5 T CB -0.204 68.684 68.868 0.033 0.000 0.865 5 T HN 0.337 nan 8.240 nan 0.000 0.496 6 A N 1.780 124.570 122.820 -0.049 0.000 1.978 6 A HA 0.226 4.545 4.320 -0.001 0.000 0.220 6 A C 2.821 180.307 177.584 -0.163 0.000 1.170 6 A CA 1.874 53.862 52.037 -0.082 0.000 0.636 6 A CB -1.373 17.590 19.000 -0.062 0.000 0.810 6 A HN 0.842 nan 8.150 nan 0.000 0.448 7 A N -1.282 121.356 122.820 -0.303 0.000 2.019 7 A HA 0.311 4.630 4.320 -0.001 0.000 0.219 7 A C 2.013 179.281 177.584 -0.528 0.000 1.164 7 A CA 1.474 53.145 52.037 -0.610 0.000 0.644 7 A CB -1.243 16.861 19.000 -1.494 0.000 0.805 7 A HN 2.016 nan 8.150 nan 0.000 0.449 8 G N -1.244 107.363 108.800 -0.323 0.000 2.338 8 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.296 8 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.296 8 G C -0.076 174.762 174.900 -0.104 0.000 1.040 8 G CA 0.070 45.082 45.100 -0.148 0.000 1.004 8 G HN 0.410 nan 8.290 nan 0.000 0.509 9 F N 0.668 120.632 119.950 0.022 0.000 2.543 9 F HA 0.409 4.935 4.527 -0.001 0.000 0.375 9 F C 1.171 176.970 175.800 -0.001 0.000 1.075 9 F CA 0.486 58.487 58.000 0.003 0.000 1.225 9 F CB 0.996 39.991 39.000 -0.007 0.000 1.099 9 F HN 0.067 nan 8.300 nan 0.000 0.561 10 T N 5.199 119.863 114.554 0.184 0.000 2.928 10 T HA 0.418 4.768 4.350 -0.001 0.000 0.296 10 T C -1.230 173.486 174.700 0.026 0.000 1.000 10 T CA -0.578 61.569 62.100 0.078 0.000 0.989 10 T CB 1.554 70.437 68.868 0.024 0.000 1.005 10 T HN 0.343 nan 8.240 nan 0.000 0.442 11 L N 4.483 125.710 121.223 0.007 0.000 2.305 11 L HA 0.643 4.983 4.340 -0.001 0.000 0.284 11 L C -1.366 175.481 176.870 -0.040 0.000 1.013 11 L CA -0.596 54.230 54.840 -0.023 0.000 0.819 11 L CB 0.712 42.756 42.059 -0.025 0.000 1.227 11 L HN 0.618 nan 8.230 nan 0.000 0.417 12 L N 5.569 126.752 121.223 -0.066 0.000 2.264 12 L HA 0.502 4.842 4.340 -0.001 0.000 0.287 12 L C -0.094 176.753 176.870 -0.039 0.000 1.039 12 L CA -0.134 54.665 54.840 -0.069 0.000 0.829 12 L CB 1.064 43.045 42.059 -0.130 0.000 1.211 12 L HN 0.647 nan 8.230 nan 0.000 0.427 13 Q N 1.679 121.467 119.800 -0.020 0.000 2.282 13 Q HA 0.426 4.765 4.340 -0.001 0.000 0.260 13 Q C 0.791 176.788 176.000 -0.005 0.000 0.964 13 Q CA 0.016 55.810 55.803 -0.015 0.000 0.880 13 Q CB 1.934 30.664 28.738 -0.012 0.000 1.286 13 Q HN 0.829 nan 8.270 nan 0.000 0.445 14 G N 1.796 110.589 108.800 -0.012 0.000 2.198 14 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.260 14 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.260 14 G C 0.048 174.952 174.900 0.006 0.000 1.025 14 G CA 0.343 45.437 45.100 -0.010 0.000 0.769 14 G HN 0.761 nan 8.290 nan 0.000 0.507 15 A N -0.883 121.949 122.820 0.019 0.000 2.257 15 A HA 0.734 5.054 4.320 -0.001 0.000 0.289 15 A C 0.137 177.762 177.584 0.068 0.000 1.095 15 A CA -0.017 52.056 52.037 0.060 0.000 0.836 15 A CB 0.569 19.614 19.000 0.075 0.000 1.111 15 A HN 0.900 nan 8.150 nan 0.000 0.497 16 H N 0.207 119.277 119.070 0.001 0.000 2.705 16 H HA 0.449 5.004 4.556 -0.001 0.000 0.291 16 H C -0.744 174.511 175.328 -0.122 0.000 1.085 16 H CA -0.659 55.344 56.048 -0.075 0.000 1.357 16 H CB 0.534 30.283 29.762 -0.021 0.000 1.419 16 H HN 0.521 nan 8.280 nan 0.000 0.462 17 L N 6.457 127.727 121.223 0.078 0.000 2.292 17 L HA 0.237 4.577 4.340 -0.001 0.000 0.284 17 L C -1.619 175.130 176.870 -0.201 0.000 1.065 17 L CA -0.244 54.597 54.840 0.002 0.000 0.806 17 L CB 0.266 42.322 42.059 -0.004 0.000 1.175 17 L HN 0.606 nan 8.230 nan 0.000 0.431 18 Y N 4.639 125.000 120.300 0.101 0.000 2.464 18 Y HA 0.502 5.051 4.550 -0.001 0.000 0.326 18 Y C 0.885 176.827 175.900 0.070 0.000 0.969 18 Y CA -0.436 57.709 58.100 0.074 0.000 1.270 18 Y CB 1.620 40.104 38.460 0.041 0.000 1.103 18 Y HN 0.759 nan 8.280 nan 0.000 0.491 19 A N 4.284 127.200 122.820 0.160 0.000 2.235 19 A HA 0.075 4.395 4.320 -0.001 0.000 0.208 19 A C -0.971 176.683 177.584 0.116 0.000 1.172 19 A CA 0.027 52.133 52.037 0.116 0.000 0.786 19 A CB -0.914 18.128 19.000 0.069 0.000 0.804 19 A HN 0.500 nan 8.150 nan 0.000 0.479 20 P HA -0.065 nan 4.420 nan 0.000 0.225 20 P C -0.135 177.295 177.300 0.216 0.000 1.148 20 P CA 0.580 63.792 63.100 0.186 0.000 0.779 20 P CB -0.136 31.653 31.700 0.149 0.000 0.780 21 E N 1.154 121.442 120.200 0.146 0.000 2.502 21 E HA 0.010 4.359 4.350 -0.001 0.000 0.261 21 E C 0.328 176.996 176.600 0.113 0.000 0.974 21 E CA 0.270 56.744 56.400 0.124 0.000 0.936 21 E CB -0.451 29.293 29.700 0.075 0.000 0.926 21 E HN 0.033 nan 8.360 nan 0.000 0.459 22 D N 2.379 122.849 120.400 0.117 0.000 2.363 22 D HA -0.035 4.605 4.640 -0.001 0.000 0.263 22 D C 0.051 176.332 176.300 -0.032 0.000 1.258 22 D CA 0.100 54.098 54.000 -0.004 0.000 0.907 22 D CB 0.454 41.306 40.800 0.086 0.000 1.107 22 D HN 0.230 nan 8.370 nan 0.000 0.495 23 R N 2.662 123.108 120.500 -0.089 0.000 2.397 23 R HA 0.280 4.619 4.340 -0.001 0.000 0.241 23 R C 1.270 177.491 176.300 -0.131 0.000 0.914 23 R CA 0.240 56.297 56.100 -0.072 0.000 1.071 23 R CB 0.041 30.311 30.300 -0.050 0.000 1.116 23 R HN 0.700 nan 8.270 nan 0.000 0.524 24 G N 1.742 110.414 108.800 -0.213 0.000 2.601 24 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.252 24 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.252 24 G C -0.267 174.326 174.900 -0.512 0.000 1.294 24 G CA -0.434 44.343 45.100 -0.539 0.000 0.912 24 G HN 0.156 nan 8.290 nan 0.000 0.574 25 I N 0.743 121.050 120.570 -0.439 0.000 2.517 25 I HA 0.466 4.635 4.170 -0.001 0.000 0.285 25 I C 0.845 176.877 176.117 -0.143 0.000 1.106 25 I CA 0.511 61.664 61.300 -0.244 0.000 1.402 25 I CB 0.365 38.257 38.000 -0.179 0.000 1.399 25 I HN 0.802 nan 8.210 nan 0.000 0.535 26 C N 5.712 124.956 119.300 -0.094 0.000 3.171 26 C HA 0.448 4.908 4.460 -0.001 0.000 0.336 26 C C -1.177 173.788 174.990 -0.043 0.000 1.198 26 C CA -0.728 58.250 59.018 -0.066 0.000 1.319 26 C CB 1.552 29.253 27.740 -0.066 0.000 1.682 26 C HN 0.742 nan 8.230 nan 0.000 0.497 27 D N 1.729 122.105 120.400 -0.039 0.000 2.253 27 D HA 0.622 5.261 4.640 -0.001 0.000 0.249 27 D C -0.717 175.563 176.300 -0.034 0.000 1.049 27 D CA 0.008 53.987 54.000 -0.035 0.000 0.929 27 D CB 1.849 42.627 40.800 -0.036 0.000 1.176 27 D HN 0.357 nan 8.370 nan 0.000 0.437 28 V N 2.062 121.952 119.914 -0.040 0.000 2.525 28 V HA 0.282 4.402 4.120 -0.001 0.000 0.299 28 V C -0.723 175.343 176.094 -0.047 0.000 1.034 28 V CA -0.841 61.433 62.300 -0.043 0.000 0.863 28 V CB 1.832 33.624 31.823 -0.051 0.000 0.999 28 V HN 0.287 nan 8.190 nan 0.000 0.423 29 L N 6.680 127.885 121.223 -0.030 0.000 2.287 29 L HA 0.755 5.094 4.340 -0.001 0.000 0.287 29 L C -0.476 176.402 176.870 0.014 0.000 1.022 29 L CA 0.106 54.940 54.840 -0.011 0.000 0.814 29 L CB 1.658 43.708 42.059 -0.014 0.000 1.217 29 L HN 0.461 nan 8.230 nan 0.000 0.420 30 V N 4.181 124.113 119.914 0.032 0.000 2.667 30 V HA 0.972 5.092 4.120 -0.001 0.000 0.308 30 V C -0.159 176.003 176.094 0.114 0.000 1.048 30 V CA -0.312 62.013 62.300 0.040 0.000 0.928 30 V CB 1.471 33.280 31.823 -0.024 0.000 1.004 30 V HN 0.972 nan 8.190 nan 0.000 0.444 31 A N 2.670 125.535 122.820 0.075 0.000 2.547 31 A HA 0.664 4.983 4.320 -0.001 0.000 0.297 31 A C 0.018 177.582 177.584 -0.033 0.000 1.056 31 A CA -0.590 51.459 52.037 0.020 0.000 0.688 31 A CB 1.087 20.149 19.000 0.103 0.000 1.282 31 A HN 0.878 nan 8.150 nan 0.000 0.400 32 N N 0.710 119.351 118.700 -0.098 0.000 2.710 32 N HA -0.234 4.505 4.740 -0.001 0.000 0.249 32 N C 1.064 176.560 175.510 -0.024 0.000 1.059 32 N CA 2.468 55.478 53.050 -0.067 0.000 0.720 32 N CB -1.016 37.436 38.487 -0.059 0.000 0.983 32 N HN 2.331 nan 8.380 nan 0.000 0.544 33 G N -1.597 107.196 108.800 -0.011 0.000 2.168 33 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.263 33 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.263 33 G C 0.052 174.963 174.900 0.019 0.000 0.977 33 G CA 1.077 46.183 45.100 0.011 0.000 0.659 33 G HN 0.425 nan 8.290 nan 0.000 0.533 34 K N -0.249 120.160 120.400 0.016 0.000 2.267 34 K HA 0.632 4.952 4.320 -0.001 0.000 0.246 34 K C 0.295 176.909 176.600 0.023 0.000 0.954 34 K CA -1.077 55.224 56.287 0.023 0.000 0.824 34 K CB 1.874 34.389 32.500 0.025 0.000 1.167 34 K HN 0.172 nan 8.250 nan 0.000 0.431 35 I N 3.345 123.928 120.570 0.022 0.000 2.396 35 I HA 0.074 4.244 4.170 -0.001 0.000 0.289 35 I C 1.527 177.658 176.117 0.023 0.000 1.056 35 I CA 0.075 61.385 61.300 0.016 0.000 1.365 35 I CB 0.360 38.367 38.000 0.012 0.000 1.407 35 I HN 0.591 nan 8.210 nan 0.000 0.509 36 I N 3.389 123.975 120.570 0.028 0.000 4.181 36 I HA 0.614 4.784 4.170 -0.001 0.000 0.331 36 I C 0.576 176.703 176.117 0.017 0.000 1.312 36 I CA -0.047 61.272 61.300 0.032 0.000 1.146 36 I CB 0.484 38.519 38.000 0.058 0.000 1.074 36 I HN 0.469 nan 8.210 nan 0.000 0.402 37 A N 0.710 123.534 122.820 0.007 0.000 2.555 37 A HA 0.741 5.060 4.320 -0.001 0.000 0.297 37 A C -1.341 176.236 177.584 -0.011 0.000 1.060 37 A CA -0.428 51.606 52.037 -0.005 0.000 0.710 37 A CB 1.652 20.643 19.000 -0.015 0.000 1.282 37 A HN -0.038 nan 8.150 nan 0.000 0.399 38 V N 1.063 120.970 119.914 -0.012 0.000 2.447 38 V HA 0.861 4.981 4.120 -0.001 0.000 0.292 38 V C 0.181 176.262 176.094 -0.020 0.000 1.021 38 V CA 0.391 62.682 62.300 -0.015 0.000 0.850 38 V CB 0.883 32.702 31.823 -0.008 0.000 1.005 38 V HN 2.031 nan 8.190 nan 0.000 0.426 39 A N 3.129 125.932 122.820 -0.027 0.000 2.586 39 A HA 0.771 5.090 4.320 -0.001 0.000 0.291 39 A C -0.616 176.946 177.584 -0.037 0.000 1.062 39 A CA -0.503 51.515 52.037 -0.031 0.000 0.666 39 A CB 1.642 20.624 19.000 -0.029 0.000 1.281 39 A HN 0.562 nan 8.150 nan 0.000 0.421 40 S N 1.370 117.046 115.700 -0.040 0.000 2.565 40 S HA 0.416 4.885 4.470 -0.001 0.000 0.276 40 S C 0.247 174.823 174.600 -0.039 0.000 1.326 40 S CA -0.051 58.122 58.200 -0.044 0.000 1.045 40 S CB -0.305 62.865 63.200 -0.050 0.000 0.918 40 S HN 0.850 nan 8.310 nan 0.000 0.505 41 N N 2.083 120.759 118.700 -0.039 0.000 2.586 41 N HA -0.174 4.566 4.740 -0.001 0.000 0.282 41 N C -1.077 174.411 175.510 -0.038 0.000 1.171 41 N CA 0.641 53.669 53.050 -0.036 0.000 0.733 41 N CB -1.059 37.408 38.487 -0.034 0.000 0.910 41 N HN 0.570 nan 8.380 nan 0.000 0.548 42 I N 2.014 122.560 120.570 -0.040 0.000 2.331 42 I HA 0.213 4.383 4.170 -0.001 0.000 0.292 42 I C -1.701 174.386 176.117 -0.049 0.000 0.998 42 I CA -1.912 59.360 61.300 -0.047 0.000 1.267 42 I CB 1.050 39.021 38.000 -0.049 0.000 1.386 42 I HN -0.028 nan 8.210 nan 0.000 0.476 43 P HA 0.011 nan 4.420 nan 0.000 0.261 43 P C 0.633 177.893 177.300 -0.066 0.000 1.203 43 P CA 0.001 63.067 63.100 -0.056 0.000 0.767 43 P CB 0.442 32.105 31.700 -0.062 0.000 0.785 44 S N 1.225 116.893 115.700 -0.054 0.000 2.571 44 S HA -0.181 4.288 4.470 -0.001 0.000 0.245 44 S C 0.791 175.350 174.600 -0.069 0.000 0.976 44 S CA 1.164 59.332 58.200 -0.053 0.000 0.954 44 S CB -0.741 62.438 63.200 -0.035 0.000 0.756 44 S HN 0.567 nan 8.310 nan 0.000 0.535 45 D N -0.653 119.698 120.400 -0.081 0.000 2.535 45 D HA 0.216 4.856 4.640 -0.001 0.000 0.229 45 D C 0.920 177.137 176.300 -0.138 0.000 1.238 45 D CA -0.610 53.331 54.000 -0.098 0.000 0.824 45 D CB -0.548 40.209 40.800 -0.071 0.000 1.045 45 D HN 0.286 nan 8.370 nan 0.000 0.500 46 I N 1.153 121.632 120.570 -0.151 0.000 2.335 46 I HA -0.082 4.087 4.170 -0.001 0.000 0.251 46 I C 0.276 176.228 176.117 -0.275 0.000 1.129 46 I CA 0.831 62.025 61.300 -0.178 0.000 1.402 46 I CB 0.113 38.023 38.000 -0.151 0.000 1.069 46 I HN 0.129 nan 8.210 nan 0.000 0.424 47 V N -2.274 117.413 119.914 -0.378 0.000 2.876 47 V HA 0.664 4.784 4.120 -0.001 0.000 0.312 47 V C -2.708 173.098 176.094 -0.482 0.000 1.085 47 V CA -1.851 60.066 62.300 -0.638 0.000 0.945 47 V CB 1.103 32.124 31.823 -1.336 0.000 1.017 47 V HN -0.071 nan 8.190 nan 0.000 0.428 48 P HA 0.322 nan 4.420 nan 0.000 0.274 48 P C -0.187 177.129 177.300 0.026 0.000 1.237 48 P CA 0.009 62.947 63.100 -0.270 0.000 0.793 48 P CB 0.045 31.353 31.700 -0.654 0.000 0.977 49 N N -2.402 116.369 118.700 0.118 0.000 2.727 49 N HA -0.184 4.555 4.740 -0.001 0.000 0.249 49 N C -0.360 175.276 175.510 0.209 0.000 1.048 49 N CA 0.123 53.290 53.050 0.196 0.000 0.714 49 N CB -1.647 37.010 38.487 0.284 0.000 0.959 49 N HN 0.451 nan 8.380 nan 0.000 0.544 50 C N 1.172 120.543 119.300 0.118 0.000 2.325 50 C HA 0.284 4.744 4.460 -0.001 0.000 0.347 50 C C 0.930 175.969 174.990 0.082 0.000 1.263 50 C CA -0.248 58.837 59.018 0.112 0.000 1.806 50 C CB -0.237 27.500 27.740 -0.005 0.000 2.405 50 C HN 0.339 nan 8.230 nan 0.000 0.537 51 T N 6.029 120.643 114.554 0.100 0.000 2.761 51 T HA 0.322 4.672 4.350 -0.001 0.000 0.296 51 T C -0.044 174.687 174.700 0.051 0.000 0.934 51 T CA -0.055 62.089 62.100 0.073 0.000 1.091 51 T CB 0.443 69.361 68.868 0.083 0.000 0.896 51 T HN 0.573 nan 8.240 nan 0.000 0.515 52 V N 4.959 124.894 119.914 0.036 0.000 2.427 52 V HA 0.438 4.557 4.120 -0.001 0.000 0.286 52 V C 0.016 176.127 176.094 0.029 0.000 1.034 52 V CA -0.743 61.570 62.300 0.021 0.000 0.893 52 V CB 1.667 33.495 31.823 0.008 0.000 0.982 52 V HN 0.645 nan 8.190 nan 0.000 0.452 53 V N 3.149 123.078 119.914 0.024 0.000 2.378 53 V HA 0.353 4.472 4.120 -0.001 0.000 0.288 53 V C -0.417 175.692 176.094 0.026 0.000 1.016 53 V CA -0.619 61.703 62.300 0.037 0.000 0.840 53 V CB 1.746 33.606 31.823 0.062 0.000 0.994 53 V HN 0.898 nan 8.190 nan 0.000 0.431 54 D N 4.410 124.828 120.400 0.031 0.000 2.339 54 D HA 0.303 4.943 4.640 -0.001 0.000 0.241 54 D C 0.436 176.757 176.300 0.035 0.000 1.183 54 D CA 0.073 54.088 54.000 0.025 0.000 0.859 54 D CB 1.025 41.839 40.800 0.023 0.000 1.067 54 D HN 0.486 nan 8.370 nan 0.000 0.484 55 L N 2.695 123.938 121.223 0.033 0.000 2.910 55 L HA 0.121 4.461 4.340 -0.001 0.000 0.252 55 L C 0.668 177.565 176.870 0.046 0.000 1.195 55 L CA -0.322 54.546 54.840 0.045 0.000 1.003 55 L CB -0.088 41.998 42.059 0.046 0.000 1.328 55 L HN 0.339 nan 8.230 nan 0.000 0.540 56 S N 0.028 115.749 115.700 0.034 0.000 2.575 56 S HA 0.255 4.724 4.470 -0.001 0.000 0.295 56 S C 1.360 175.986 174.600 0.044 0.000 1.267 56 S CA 0.458 58.678 58.200 0.033 0.000 1.074 56 S CB 0.960 64.173 63.200 0.021 0.000 0.829 56 S HN 0.606 nan 8.310 nan 0.000 0.497 57 G N 2.003 110.836 108.800 0.056 0.000 2.217 57 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.246 57 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.246 57 G C 0.043 174.992 174.900 0.082 0.000 0.990 57 G CA 0.278 45.417 45.100 0.065 0.000 0.627 57 G HN 0.793 nan 8.290 nan 0.000 0.522 58 Q N -0.193 119.658 119.800 0.086 0.000 2.207 58 Q HA 0.832 5.171 4.340 -0.001 0.000 0.237 58 Q C 0.276 176.357 176.000 0.135 0.000 0.998 58 Q CA -0.697 55.163 55.803 0.096 0.000 0.951 58 Q CB 1.094 29.881 28.738 0.082 0.000 1.213 58 Q HN 0.443 nan 8.270 nan 0.000 0.499 59 I N 0.573 121.226 120.570 0.138 0.000 2.530 59 I HA 0.361 4.531 4.170 -0.001 0.000 0.297 59 I C -1.055 175.159 176.117 0.162 0.000 1.011 59 I CA -0.926 60.490 61.300 0.194 0.000 1.107 59 I CB 1.899 40.006 38.000 0.179 0.000 1.285 59 I HN 0.260 nan 8.210 nan 0.000 0.436 60 L N 7.411 128.750 121.223 0.193 0.000 2.376 60 L HA 0.711 5.051 4.340 -0.001 0.000 0.275 60 L C -0.570 176.407 176.870 0.177 0.000 0.987 60 L CA -0.128 54.797 54.840 0.141 0.000 0.828 60 L CB 1.103 43.216 42.059 0.091 0.000 1.249 60 L HN 0.895 nan 8.230 nan 0.000 0.409 61 C N 2.721 122.100 119.300 0.132 0.000 3.213 61 C HA 0.892 5.351 4.460 -0.001 0.000 0.319 61 C C -2.700 172.344 174.990 0.090 0.000 1.386 61 C CA -1.999 57.104 59.018 0.141 0.000 1.494 61 C CB 1.760 29.596 27.740 0.160 0.000 1.905 61 C HN 0.664 nan 8.230 nan 0.000 0.456 62 P HA 0.397 nan 4.420 nan 0.000 0.277 62 P C 0.172 177.506 177.300 0.056 0.000 1.240 62 P CA 0.730 63.885 63.100 0.091 0.000 0.798 62 P CB 0.308 32.079 31.700 0.118 0.000 0.979 63 G N 1.531 110.347 108.800 0.027 0.000 2.491 63 G HA2 0.287 4.247 3.960 -0.001 0.000 0.242 63 G HA3 0.287 4.247 3.960 -0.001 0.000 0.242 63 G C -0.557 174.416 174.900 0.123 0.000 1.266 63 G CA -0.258 44.813 45.100 -0.049 0.000 0.844 63 G HN 0.205 nan 8.290 nan 0.000 0.571 64 F N 0.071 120.055 119.950 0.056 0.000 2.459 64 F HA 0.355 4.882 4.527 -0.001 0.000 0.346 64 F C 0.945 176.785 175.800 0.067 0.000 1.128 64 F CA -1.167 56.867 58.000 0.057 0.000 1.268 64 F CB 0.703 39.733 39.000 0.050 0.000 1.161 64 F HN 0.146 nan 8.300 nan 0.000 0.583 65 I N 2.466 123.207 120.570 0.284 0.000 2.354 65 I HA 0.175 4.344 4.170 -0.001 0.000 0.286 65 I C -0.556 175.662 176.117 0.168 0.000 1.007 65 I CA -0.559 60.860 61.300 0.199 0.000 1.167 65 I CB 1.190 39.282 38.000 0.154 0.000 1.320 65 I HN 0.360 nan 8.210 nan 0.000 0.458 66 D N 6.412 126.917 120.400 0.174 0.000 2.443 66 D HA 0.107 4.747 4.640 -0.001 0.000 0.221 66 D C 0.678 177.083 176.300 0.174 0.000 1.097 66 D CA -0.403 53.701 54.000 0.173 0.000 0.865 66 D CB 1.148 42.074 40.800 0.210 0.000 1.034 66 D HN 0.609 nan 8.370 nan 0.000 0.511 67 Q N 2.232 122.126 119.800 0.157 0.000 2.322 67 Q HA 0.017 4.357 4.340 -0.001 0.000 0.203 67 Q C -0.397 175.700 176.000 0.161 0.000 0.923 67 Q CA 0.199 56.090 55.803 0.147 0.000 0.949 67 Q CB -0.029 28.784 28.738 0.124 0.000 1.039 67 Q HN 0.459 nan 8.270 nan 0.000 0.496 68 H N -0.369 118.751 119.070 0.084 0.000 2.852 68 H HA 0.471 5.026 4.556 -0.001 0.000 0.274 68 H C -1.884 173.476 175.328 0.053 0.000 1.321 68 H CA -0.583 55.493 56.048 0.046 0.000 1.582 68 H CB 0.937 30.736 29.762 0.061 0.000 1.699 68 H HN 0.069 nan 8.280 nan 0.000 0.546 69 V N 3.693 123.645 119.914 0.063 0.000 2.709 69 V HA 0.146 4.265 4.120 -0.001 0.000 0.308 69 V C -0.060 175.968 176.094 -0.110 0.000 1.062 69 V CA -0.946 61.432 62.300 0.129 0.000 0.901 69 V CB 1.862 33.856 31.823 0.285 0.000 1.003 69 V HN 0.754 nan 8.190 nan 0.000 0.425 70 H N 5.343 124.528 119.070 0.191 0.000 2.799 70 H HA 0.283 4.839 4.556 -0.001 0.000 0.225 70 H C 1.238 176.640 175.328 0.122 0.000 1.904 70 H CA -0.080 56.038 56.048 0.118 0.000 1.344 70 H CB 0.404 30.221 29.762 0.091 0.000 1.744 70 H HN 0.551 nan 8.280 nan 0.000 0.542 71 L N 1.094 122.410 121.223 0.154 0.000 2.064 71 L HA -0.257 4.082 4.340 -0.001 0.000 0.216 71 L C 2.288 179.230 176.870 0.120 0.000 1.077 71 L CA 1.801 56.720 54.840 0.130 0.000 0.766 71 L CB -0.267 41.837 42.059 0.076 0.000 0.890 71 L HN 0.522 nan 8.230 nan 0.000 0.435 72 I N -3.189 117.448 120.570 0.111 0.000 3.793 72 I HA 0.422 4.591 4.170 -0.001 0.000 0.315 72 I C 0.777 176.946 176.117 0.087 0.000 1.275 72 I CA 0.316 61.669 61.300 0.089 0.000 1.214 72 I CB -0.056 37.988 38.000 0.074 0.000 1.018 72 I HN 0.175 nan 8.210 nan 0.000 0.439 73 G N 0.102 108.970 108.800 0.114 0.000 2.484 73 G HA2 0.303 4.263 3.960 -0.001 0.000 0.685 73 G HA3 0.303 4.263 3.960 -0.001 0.000 0.685 73 G C -0.590 174.338 174.900 0.047 0.000 1.294 73 G CA -0.620 44.527 45.100 0.078 0.000 0.879 73 G HN 0.629 nan 8.290 nan 0.000 0.646 74 G N -1.185 107.590 108.800 -0.041 0.000 3.214 74 G HA2 1.055 5.015 3.960 -0.001 0.000 0.188 74 G HA3 1.055 5.015 3.960 -0.001 0.000 0.188 74 G C 1.134 175.940 174.900 -0.157 0.000 1.126 74 G CA 1.228 46.219 45.100 -0.182 0.000 0.796 74 G HN 2.715 nan 8.290 nan 0.000 0.631 75 G N -1.302 107.371 108.800 -0.211 0.000 2.569 75 G HA2 0.332 4.291 3.960 -0.001 0.000 0.259 75 G HA3 0.332 4.291 3.960 -0.001 0.000 0.259 75 G C 1.433 176.255 174.900 -0.130 0.000 1.263 75 G CA 1.599 46.610 45.100 -0.148 0.000 0.928 75 G HN 2.654 nan 8.290 nan 0.000 0.572 76 G N -2.780 105.966 108.800 -0.089 0.000 2.194 76 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.236 76 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.236 76 G C 0.986 175.846 174.900 -0.067 0.000 0.987 76 G CA 1.114 46.170 45.100 -0.074 0.000 0.635 76 G HN 1.361 nan 8.290 nan 0.000 0.520 77 Q N 0.048 119.806 119.800 -0.070 0.000 2.364 77 Q HA 0.423 4.762 4.340 -0.001 0.000 0.209 77 Q C 1.997 177.987 176.000 -0.017 0.000 0.977 77 Q CA 1.655 57.432 55.803 -0.043 0.000 0.885 77 Q CB 0.049 28.770 28.738 -0.027 0.000 0.941 77 Q HN 1.111 nan 8.270 nan 0.000 0.464 78 A N -0.299 122.508 122.820 -0.021 0.000 2.985 78 A HA 0.623 4.943 4.320 -0.001 0.000 0.303 78 A C 0.230 177.805 177.584 -0.015 0.000 1.048 78 A CA 0.080 52.110 52.037 -0.012 0.000 1.016 78 A CB -0.345 18.649 19.000 -0.010 0.000 1.118 78 A HN 0.221 nan 8.150 nan 0.000 0.529 79 G N 0.488 109.276 108.800 -0.019 0.000 2.707 79 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.686 79 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.686 79 G C -1.812 173.075 174.900 -0.023 0.000 1.315 79 G CA -0.263 44.827 45.100 -0.018 0.000 0.832 79 G HN 0.114 nan 8.290 nan 0.000 0.573 80 P HA -0.052 nan 4.420 nan 0.000 0.222 80 P C 2.008 179.297 177.300 -0.019 0.000 1.147 80 P CA 2.460 65.548 63.100 -0.020 0.000 0.790 80 P CB -0.234 31.457 31.700 -0.015 0.000 0.780 81 T N -3.685 110.859 114.554 -0.017 0.000 3.072 81 T HA -0.076 4.273 4.350 -0.001 0.000 0.266 81 T C 1.426 176.114 174.700 -0.019 0.000 1.127 81 T CA 1.535 63.626 62.100 -0.015 0.000 1.107 81 T CB -1.557 67.303 68.868 -0.013 0.000 0.910 81 T HN 0.228 nan 8.240 nan 0.000 0.513 82 T N -0.787 113.752 114.554 -0.024 0.000 3.188 82 T HA 0.271 4.620 4.350 -0.001 0.000 0.250 82 T C 0.632 175.308 174.700 -0.040 0.000 1.077 82 T CA -0.696 61.385 62.100 -0.031 0.000 0.967 82 T CB -0.428 68.420 68.868 -0.033 0.000 1.006 82 T HN 0.332 nan 8.240 nan 0.000 0.552 83 R N 3.244 123.723 120.500 -0.035 0.000 2.288 83 R HA 0.324 4.664 4.340 -0.001 0.000 0.330 83 R C 0.711 176.995 176.300 -0.026 0.000 1.069 83 R CA -0.177 55.901 56.100 -0.037 0.000 0.941 83 R CB 0.457 30.741 30.300 -0.027 0.000 0.998 83 R HN 0.498 nan 8.270 nan 0.000 0.452 84 T N 1.225 115.760 114.554 -0.031 0.000 2.828 84 T HA 0.356 4.705 4.350 -0.001 0.000 0.290 84 T C -1.996 172.710 174.700 0.009 0.000 1.019 84 T CA -1.691 60.402 62.100 -0.012 0.000 1.031 84 T CB 1.098 69.956 68.868 -0.016 0.000 1.001 84 T HN 0.251 nan 8.240 nan 0.000 0.531 85 P HA 0.248 nan 4.420 nan 0.000 0.276 85 P C -0.088 177.248 177.300 0.060 0.000 1.261 85 P CA -0.695 62.426 63.100 0.035 0.000 0.800 85 P CB 0.351 32.071 31.700 0.034 0.000 1.066 86 E N -0.296 119.942 120.200 0.064 0.000 2.408 86 E HA 0.185 4.535 4.350 -0.001 0.000 0.259 86 E C -0.657 176.006 176.600 0.105 0.000 1.110 86 E CA -0.782 55.668 56.400 0.084 0.000 0.929 86 E CB 0.214 29.957 29.700 0.071 0.000 0.971 86 E HN 0.031 nan 8.360 nan 0.000 0.438 87 V N 1.293 121.284 119.914 0.128 0.000 2.614 87 V HA 0.341 4.461 4.120 -0.001 0.000 0.291 87 V C 0.304 176.456 176.094 0.097 0.000 1.049 87 V CA 0.095 62.487 62.300 0.152 0.000 1.038 87 V CB 0.856 32.792 31.823 0.190 0.000 0.980 87 V HN 0.792 nan 8.190 nan 0.000 0.481 88 A N 4.145 127.021 122.820 0.093 0.000 2.305 88 A HA 0.573 4.893 4.320 -0.001 0.000 0.322 88 A C 0.699 178.293 177.584 0.016 0.000 1.187 88 A CA -0.543 51.528 52.037 0.057 0.000 0.825 88 A CB 0.841 19.879 19.000 0.063 0.000 1.164 88 A HN 0.905 nan 8.150 nan 0.000 0.498 89 L N 3.710 124.928 121.223 -0.007 0.000 2.011 89 L HA -0.304 4.035 4.340 -0.001 0.000 0.225 89 L C 2.731 179.571 176.870 -0.051 0.000 1.084 89 L CA 3.455 58.271 54.840 -0.041 0.000 0.791 89 L CB -0.732 41.300 42.059 -0.044 0.000 0.898 89 L HN 0.945 nan 8.230 nan 0.000 0.440 90 S N -0.909 114.775 115.700 -0.028 0.000 2.402 90 S HA -0.262 4.208 4.470 -0.001 0.000 0.233 90 S C 2.089 176.678 174.600 -0.018 0.000 1.030 90 S CA 1.253 59.438 58.200 -0.025 0.000 1.003 90 S CB -0.761 62.433 63.200 -0.010 0.000 0.813 90 S HN 0.554 nan 8.310 nan 0.000 0.477 91 R N 0.871 121.372 120.500 0.002 0.000 2.092 91 R HA 0.131 4.471 4.340 -0.001 0.000 0.231 91 R C 2.378 178.635 176.300 -0.072 0.000 1.119 91 R CA 1.252 57.379 56.100 0.044 0.000 0.970 91 R CB -0.833 29.562 30.300 0.157 0.000 0.864 91 R HN 0.493 nan 8.270 nan 0.000 0.440 92 L N 0.158 121.249 121.223 -0.221 0.000 2.023 92 L HA -0.137 4.202 4.340 -0.001 0.000 0.205 92 L C 2.803 179.569 176.870 -0.174 0.000 1.073 92 L CA 1.842 56.462 54.840 -0.367 0.000 0.745 92 L CB -1.026 40.821 42.059 -0.353 0.000 0.900 92 L HN 0.293 nan 8.230 nan 0.000 0.435 93 T N -2.548 111.935 114.554 -0.118 0.000 2.708 93 T HA -0.223 4.126 4.350 -0.001 0.000 0.266 93 T C 1.569 176.227 174.700 -0.070 0.000 1.037 93 T CA 1.428 63.474 62.100 -0.090 0.000 1.146 93 T CB -0.482 68.335 68.868 -0.085 0.000 0.865 93 T HN 0.349 nan 8.240 nan 0.000 0.435 94 E N 1.553 121.728 120.200 -0.043 0.000 2.333 94 E HA 0.108 4.458 4.350 -0.001 0.000 0.198 94 E C 2.175 178.780 176.600 0.008 0.000 1.007 94 E CA 0.706 57.095 56.400 -0.018 0.000 0.845 94 E CB -0.243 29.460 29.700 0.005 0.000 0.766 94 E HN 0.742 nan 8.360 nan 0.000 0.507 95 A N 0.097 122.930 122.820 0.022 0.000 2.251 95 A HA 0.310 4.629 4.320 -0.001 0.000 0.209 95 A C 1.709 179.348 177.584 0.090 0.000 1.187 95 A CA 0.684 52.781 52.037 0.100 0.000 0.823 95 A CB -0.081 19.031 19.000 0.187 0.000 0.846 95 A HN 0.310 nan 8.150 nan 0.000 0.486 96 G N -1.619 107.144 108.800 -0.062 0.000 2.175 96 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.244 96 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.244 96 G C 0.157 174.922 174.900 -0.224 0.000 0.982 96 G CA 0.070 44.993 45.100 -0.294 0.000 0.641 96 G HN 0.781 nan 8.290 nan 0.000 0.527 97 V N 2.338 122.240 119.914 -0.020 0.000 2.405 97 V HA 0.463 4.582 4.120 -0.001 0.000 0.264 97 V C 1.581 177.666 176.094 -0.016 0.000 1.048 97 V CA 1.061 63.383 62.300 0.036 0.000 0.966 97 V CB 0.880 32.690 31.823 -0.021 0.000 1.015 97 V HN 0.651 nan 8.190 nan 0.000 0.477 98 T N 0.057 114.628 114.554 0.028 0.000 2.990 98 T HA 0.194 4.544 4.350 -0.001 0.000 0.250 98 T C 0.658 175.399 174.700 0.068 0.000 1.041 98 T CA -0.058 62.057 62.100 0.025 0.000 1.010 98 T CB 0.384 69.269 68.868 0.029 0.000 1.003 98 T HN 0.464 nan 8.240 nan 0.000 0.499 99 S N 0.429 116.205 115.700 0.126 0.000 2.538 99 S HA 0.764 5.233 4.470 -0.001 0.000 0.288 99 S C -1.349 173.373 174.600 0.204 0.000 1.108 99 S CA -0.665 57.664 58.200 0.214 0.000 0.971 99 S CB 2.449 65.861 63.200 0.353 0.000 1.041 99 S HN 0.298 nan 8.310 nan 0.000 0.483 100 V N 3.208 123.254 119.914 0.221 0.000 3.007 100 V HA 0.739 4.858 4.120 -0.001 0.000 0.311 100 V C -1.491 174.763 176.094 0.267 0.000 1.120 100 V CA -0.517 61.895 62.300 0.186 0.000 0.980 100 V CB 2.248 34.115 31.823 0.075 0.000 1.033 100 V HN 0.658 nan 8.190 nan 0.000 0.429 101 V N 5.051 125.087 119.914 0.203 0.000 2.376 101 V HA 0.692 4.812 4.120 -0.001 0.000 0.287 101 V C 0.684 176.828 176.094 0.082 0.000 1.015 101 V CA 0.014 62.425 62.300 0.184 0.000 0.834 101 V CB 1.231 33.140 31.823 0.144 0.000 1.001 101 V HN 1.053 nan 8.190 nan 0.000 0.428 102 G N 4.714 113.553 108.800 0.065 0.000 2.448 102 G HA2 0.721 4.680 3.960 -0.001 0.000 0.285 102 G HA3 0.721 4.680 3.960 -0.001 0.000 0.285 102 G C -1.005 173.865 174.900 -0.050 0.000 1.176 102 G CA -0.281 44.820 45.100 0.001 0.000 0.852 102 G HN 0.757 nan 8.290 nan 0.000 0.530 103 L N -1.051 120.095 121.223 -0.128 0.000 2.720 103 L HA 0.684 5.024 4.340 -0.001 0.000 0.261 103 L C -0.712 176.127 176.870 -0.051 0.000 1.046 103 L CA -1.243 53.520 54.840 -0.128 0.000 0.886 103 L CB 0.897 42.816 42.059 -0.233 0.000 1.493 103 L HN 0.419 nan 8.230 nan 0.000 0.407 104 L N -0.304 120.938 121.223 0.031 0.000 2.332 104 L HA 0.972 5.312 4.340 -0.001 0.000 0.269 104 L C 0.648 177.609 176.870 0.151 0.000 1.016 104 L CA -0.154 54.750 54.840 0.107 0.000 0.809 104 L CB 1.552 43.628 42.059 0.029 0.000 1.280 104 L HN 1.007 nan 8.230 nan 0.000 0.447 105 G N -0.809 107.992 108.800 0.002 0.000 3.392 105 G HA2 0.201 4.160 3.960 -0.001 0.000 0.185 105 G HA3 0.201 4.160 3.960 -0.001 0.000 0.185 105 G C 0.643 174.985 174.900 -0.930 0.000 1.206 105 G CA 0.386 45.286 45.100 -0.333 0.000 0.776 105 G HN 0.493 nan 8.290 nan 0.000 0.697 106 T N 0.646 114.363 114.554 -1.395 0.000 2.665 106 T HA -0.075 4.274 4.350 -0.001 0.000 0.268 106 T C 0.708 175.144 174.700 -0.441 0.000 1.035 106 T CA 1.747 63.205 62.100 -1.071 0.000 1.151 106 T CB -0.227 68.236 68.868 -0.675 0.000 0.862 106 T HN 0.388 nan 8.240 nan 0.000 0.438 107 D N 1.483 121.683 120.400 -0.334 0.000 2.347 107 D HA 0.238 4.877 4.640 -0.001 0.000 0.235 107 D C 0.200 176.389 176.300 -0.184 0.000 1.149 107 D CA -0.399 53.477 54.000 -0.206 0.000 0.850 107 D CB 0.638 41.339 40.800 -0.166 0.000 1.061 107 D HN 0.214 nan 8.370 nan 0.000 0.487 108 S N 3.228 118.825 115.700 -0.172 0.000 2.741 108 S HA 0.189 4.659 4.470 -0.001 0.000 0.247 108 S C 1.026 175.459 174.600 -0.277 0.000 1.050 108 S CA -0.549 57.530 58.200 -0.202 0.000 1.025 108 S CB -0.014 63.104 63.200 -0.136 0.000 0.897 108 S HN 0.421 nan 8.310 nan 0.000 0.508 109 I N 2.050 122.476 120.570 -0.239 0.000 3.194 109 I HA 0.127 4.297 4.170 -0.001 0.000 0.271 109 I C 2.247 178.237 176.117 -0.213 0.000 1.150 109 I CA 1.057 62.233 61.300 -0.207 0.000 1.440 109 I CB -0.952 36.982 38.000 -0.110 0.000 1.276 109 I HN 0.568 nan 8.210 nan 0.000 0.457 110 S N 0.895 116.509 115.700 -0.144 0.000 2.540 110 S HA 0.247 4.717 4.470 -0.001 0.000 0.218 110 S C 0.677 175.274 174.600 -0.004 0.000 0.977 110 S CA -0.359 57.834 58.200 -0.012 0.000 0.918 110 S CB 0.248 63.453 63.200 0.009 0.000 0.806 110 S HN 0.128 nan 8.310 nan 0.000 0.496 111 R N 1.901 122.267 120.500 -0.223 0.000 2.534 111 R HA 0.502 4.842 4.340 -0.001 0.000 0.301 111 R C -1.015 175.061 176.300 -0.372 0.000 0.961 111 R CA -0.322 55.712 56.100 -0.110 0.000 0.871 111 R CB 0.908 31.168 30.300 -0.067 0.000 1.170 111 R HN 0.469 nan 8.270 nan 0.000 0.446 112 H N 2.302 121.366 119.070 -0.010 0.000 2.637 112 H HA 0.223 4.779 4.556 -0.001 0.000 0.363 112 H C -1.751 173.577 175.328 0.001 0.000 1.131 112 H CA -1.874 54.169 56.048 -0.008 0.000 1.183 112 H CB 2.573 32.329 29.762 -0.010 0.000 1.637 112 H HN 0.179 nan 8.280 nan 0.000 0.531 113 P HA -0.134 nan 4.420 nan 0.000 0.218 113 P C 0.837 178.176 177.300 0.065 0.000 1.148 113 P CA 1.158 64.296 63.100 0.063 0.000 0.822 113 P CB 0.498 32.224 31.700 0.043 0.000 0.784 114 E N -0.277 119.970 120.200 0.079 0.000 2.106 114 E HA -0.094 4.255 4.350 -0.001 0.000 0.192 114 E C 2.202 178.825 176.600 0.039 0.000 0.984 114 E CA 1.313 57.741 56.400 0.045 0.000 0.806 114 E CB -0.753 28.963 29.700 0.026 0.000 0.750 114 E HN 0.207 nan 8.360 nan 0.000 0.458 115 S N 0.666 116.404 115.700 0.062 0.000 2.355 115 S HA -0.124 4.345 4.470 -0.001 0.000 0.222 115 S C 1.839 176.467 174.600 0.047 0.000 1.031 115 S CA 0.796 59.026 58.200 0.050 0.000 0.993 115 S CB -0.319 62.926 63.200 0.076 0.000 0.859 115 S HN 0.157 nan 8.310 nan 0.000 0.453 116 L N 1.864 123.120 121.223 0.056 0.000 2.042 116 L HA -0.044 4.295 4.340 -0.001 0.000 0.210 116 L C 2.103 178.991 176.870 0.030 0.000 1.076 116 L CA 1.477 56.344 54.840 0.045 0.000 0.749 116 L CB -0.815 41.272 42.059 0.046 0.000 0.893 116 L HN 0.313 nan 8.230 nan 0.000 0.432 117 L N -0.229 121.011 121.223 0.028 0.000 2.046 117 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 117 L C 2.483 179.354 176.870 0.002 0.000 1.077 117 L CA 2.104 56.953 54.840 0.014 0.000 0.747 117 L CB -1.004 41.065 42.059 0.016 0.000 0.896 117 L HN 0.275 nan 8.230 nan 0.000 0.432 118 A N -0.429 122.395 122.820 0.007 0.000 1.902 118 A HA -0.262 4.057 4.320 -0.001 0.000 0.217 118 A C 2.351 179.935 177.584 0.000 0.000 1.181 118 A CA 1.990 54.028 52.037 0.002 0.000 0.623 118 A CB -0.675 18.330 19.000 0.008 0.000 0.818 118 A HN 0.450 nan 8.150 nan 0.000 0.443 119 K N -0.275 120.132 120.400 0.010 0.000 2.057 119 K HA -0.091 4.228 4.320 -0.001 0.000 0.207 119 K C 1.936 178.530 176.600 -0.011 0.000 1.049 119 K CA 2.282 58.576 56.287 0.012 0.000 0.931 119 K CB -0.989 31.529 32.500 0.029 0.000 0.714 119 K HN 0.405 nan 8.250 nan 0.000 0.440 120 T N 0.594 115.137 114.554 -0.018 0.000 2.684 120 T HA -0.119 4.231 4.350 -0.001 0.000 0.267 120 T C 1.827 176.473 174.700 -0.090 0.000 1.036 120 T CA 1.683 63.752 62.100 -0.053 0.000 1.148 120 T CB -0.194 68.648 68.868 -0.043 0.000 0.863 120 T HN 0.302 nan 8.240 nan 0.000 0.436 121 R N 0.884 121.342 120.500 -0.071 0.000 2.096 121 R HA 0.062 4.402 4.340 -0.001 0.000 0.235 121 R C 2.830 179.087 176.300 -0.072 0.000 1.127 121 R CA 1.179 57.230 56.100 -0.081 0.000 0.968 121 R CB -0.466 29.800 30.300 -0.057 0.000 0.861 121 R HN 0.356 nan 8.270 nan 0.000 0.440 122 A N 1.330 124.122 122.820 -0.047 0.000 1.908 122 A HA -0.144 4.176 4.320 -0.001 0.000 0.218 122 A C 2.169 179.718 177.584 -0.058 0.000 1.181 122 A CA 1.212 53.225 52.037 -0.041 0.000 0.627 122 A CB -0.543 18.449 19.000 -0.013 0.000 0.818 122 A HN 0.179 nan 8.150 nan 0.000 0.445 123 L N -0.228 120.956 121.223 -0.064 0.000 2.046 123 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 123 L C 2.374 179.181 176.870 -0.105 0.000 1.077 123 L CA 1.239 56.032 54.840 -0.078 0.000 0.747 123 L CB -0.635 41.380 42.059 -0.073 0.000 0.896 123 L HN 0.420 nan 8.230 nan 0.000 0.432 124 N N -0.156 118.463 118.700 -0.135 0.000 2.120 124 N HA -0.211 4.528 4.740 -0.001 0.000 0.188 124 N C 1.788 177.232 175.510 -0.110 0.000 1.024 124 N CA 1.238 54.195 53.050 -0.155 0.000 0.852 124 N CB -0.064 38.304 38.487 -0.198 0.000 1.003 124 N HN 0.430 nan 8.380 nan 0.000 0.424 125 E N 0.959 121.103 120.200 -0.093 0.000 2.110 125 E HA -0.127 4.222 4.350 -0.001 0.000 0.193 125 E C 1.181 177.737 176.600 -0.073 0.000 0.988 125 E CA 0.805 57.160 56.400 -0.075 0.000 0.804 125 E CB 0.112 29.773 29.700 -0.066 0.000 0.745 125 E HN 0.405 nan 8.360 nan 0.000 0.458 126 E N -1.558 118.596 120.200 -0.076 0.000 2.418 126 E HA -0.049 4.301 4.350 -0.001 0.000 0.197 126 E C 1.085 177.643 176.600 -0.070 0.000 1.026 126 E CA 0.481 56.836 56.400 -0.075 0.000 0.862 126 E CB 0.459 30.114 29.700 -0.074 0.000 0.799 126 E HN 0.409 nan 8.360 nan 0.000 0.518 127 G N 0.717 109.474 108.800 -0.072 0.000 2.813 127 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.194 127 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.194 127 G C 0.351 175.215 174.900 -0.060 0.000 1.010 127 G CA 0.020 45.083 45.100 -0.061 0.000 0.771 127 G HN 0.235 nan 8.290 nan 0.000 0.485 128 I N -0.899 119.626 120.570 -0.074 0.000 3.775 128 I HA 0.909 5.079 4.170 -0.001 0.000 0.272 128 I C 0.002 176.052 176.117 -0.113 0.000 1.292 128 I CA -1.219 60.039 61.300 -0.070 0.000 1.050 128 I CB 1.695 39.657 38.000 -0.062 0.000 1.422 128 I HN -0.059 nan 8.210 nan 0.000 0.561 129 S N 0.793 116.425 115.700 -0.114 0.000 2.473 129 S HA 0.844 5.314 4.470 -0.001 0.000 0.307 129 S C -0.618 173.755 174.600 -0.378 0.000 1.094 129 S CA -0.567 57.459 58.200 -0.290 0.000 1.070 129 S CB 1.483 64.580 63.200 -0.170 0.000 1.019 129 S HN 0.901 nan 8.310 nan 0.000 0.480 130 A N 2.996 125.403 122.820 -0.689 0.000 2.486 130 A HA 0.854 5.174 4.320 -0.001 0.000 0.300 130 A C -1.471 175.737 177.584 -0.627 0.000 1.048 130 A CA -0.770 51.017 52.037 -0.416 0.000 0.696 130 A CB 1.310 20.187 19.000 -0.205 0.000 1.278 130 A HN 0.787 nan 8.150 nan 0.000 0.405 131 W N 0.572 121.875 121.300 0.004 0.000 3.060 131 W HA 0.718 5.378 4.660 -0.000 0.000 0.346 131 W C -0.266 176.251 176.519 -0.003 0.000 1.194 131 W CA -0.497 56.849 57.345 0.002 0.000 1.105 131 W CB 2.002 31.464 29.460 0.004 0.000 1.487 131 W HN 0.969 nan 8.180 nan 0.000 0.592 132 M N 0.262 120.012 119.600 0.249 0.000 2.813 132 M HA 0.698 5.177 4.480 -0.001 0.000 0.270 132 M C -2.138 174.215 176.300 0.089 0.000 1.267 132 M CA -0.958 54.416 55.300 0.123 0.000 0.822 132 M CB 2.506 35.148 32.600 0.070 0.000 1.671 132 M HN 0.245 nan 8.290 nan 0.000 0.468 133 L N 0.719 121.964 121.223 0.037 0.000 2.334 133 L HA 0.623 4.963 4.340 -0.001 0.000 0.276 133 L C 0.163 177.039 176.870 0.010 0.000 1.014 133 L CA -0.766 54.082 54.840 0.012 0.000 0.815 133 L CB 1.956 44.003 42.059 -0.019 0.000 1.268 133 L HN 0.887 nan 8.230 nan 0.000 0.428 134 T N 0.816 115.374 114.554 0.007 0.000 2.810 134 T HA 0.647 4.996 4.350 -0.001 0.000 0.277 134 T C 0.368 175.069 174.700 0.002 0.000 0.973 134 T CA 0.816 62.921 62.100 0.009 0.000 0.949 134 T CB 1.111 69.986 68.868 0.012 0.000 1.075 134 T HN 0.986 nan 8.240 nan 0.000 0.537 135 G N 0.281 109.087 108.800 0.011 0.000 2.693 135 G HA2 0.389 4.348 3.960 -0.001 0.000 0.226 135 G HA3 0.389 4.348 3.960 -0.001 0.000 0.226 135 G C -0.158 174.760 174.900 0.031 0.000 1.354 135 G CA -0.277 44.835 45.100 0.019 0.000 0.873 135 G HN 1.731 nan 8.290 nan 0.000 0.562 136 A N -3.737 119.122 122.820 0.064 0.000 3.287 136 A HA 0.691 5.011 4.320 -0.001 0.000 0.299 136 A C 0.534 178.243 177.584 0.208 0.000 1.086 136 A CA 0.681 52.782 52.037 0.107 0.000 0.586 136 A CB -0.628 18.401 19.000 0.048 0.000 1.539 136 A HN 1.536 nan 8.150 nan 0.000 0.694 137 Y N 1.141 121.438 120.300 -0.005 0.000 2.224 137 Y HA -0.065 4.485 4.550 -0.001 0.000 0.289 137 Y C 1.524 177.420 175.900 -0.007 0.000 1.146 137 Y CA 1.543 59.627 58.100 -0.026 0.000 1.182 137 Y CB -0.648 37.765 38.460 -0.079 0.000 0.983 137 Y HN 0.600 nan 8.280 nan 0.000 0.524 138 H N 0.775 119.914 119.070 0.116 0.000 2.964 138 H HA 0.214 4.770 4.556 -0.001 0.000 0.328 138 H C -0.924 174.416 175.328 0.020 0.000 1.030 138 H CA 0.432 56.506 56.048 0.044 0.000 1.445 138 H CB 0.567 30.334 29.762 0.009 0.000 1.449 138 H HN -0.150 nan 8.280 nan 0.000 0.581 139 V N 8.722 128.439 119.914 -0.327 0.000 2.525 139 V HA 0.213 4.332 4.120 -0.001 0.000 0.299 139 V C -2.100 173.792 176.094 -0.336 0.000 1.034 139 V CA -1.618 60.579 62.300 -0.171 0.000 0.863 139 V CB 1.786 33.542 31.823 -0.112 0.000 0.999 139 V HN 0.750 nan 8.190 nan 0.000 0.423 140 P HA 0.232 nan 4.420 nan 0.000 0.272 140 P C -0.136 177.303 177.300 0.231 0.000 1.223 140 P CA -0.074 63.106 63.100 0.133 0.000 0.784 140 P CB 0.454 32.263 31.700 0.182 0.000 0.923 141 S N 1.984 117.763 115.700 0.130 0.000 2.560 141 S HA 0.130 4.600 4.470 -0.001 0.000 0.284 141 S C 0.406 175.056 174.600 0.083 0.000 1.327 141 S CA -0.331 57.932 58.200 0.105 0.000 1.055 141 S CB -0.018 63.208 63.200 0.044 0.000 0.868 141 S HN 0.272 nan 8.310 nan 0.000 0.506 142 R N 2.034 122.565 120.500 0.052 0.000 2.202 142 R HA 0.384 4.723 4.340 -0.001 0.000 0.334 142 R C 0.491 176.799 176.300 0.012 0.000 1.036 142 R CA -0.302 55.800 56.100 0.003 0.000 0.878 142 R CB 0.759 31.028 30.300 -0.051 0.000 1.067 142 R HN 0.791 nan 8.270 nan 0.000 0.457 143 T N -1.523 113.041 114.554 0.017 0.000 2.807 143 T HA 0.446 4.796 4.350 -0.001 0.000 0.277 143 T C 1.264 175.979 174.700 0.025 0.000 1.006 143 T CA -0.904 61.209 62.100 0.020 0.000 1.006 143 T CB 0.968 69.848 68.868 0.019 0.000 1.274 143 T HN 0.335 nan 8.240 nan 0.000 0.569 144 I N 0.720 121.305 120.570 0.025 0.000 2.429 144 I HA -0.007 4.162 4.170 -0.001 0.000 0.247 144 I C 2.706 178.836 176.117 0.021 0.000 1.099 144 I CA 1.306 62.621 61.300 0.026 0.000 1.422 144 I CB -0.273 37.742 38.000 0.025 0.000 1.112 144 I HN 0.918 nan 8.210 nan 0.000 0.430 145 T N -2.420 112.145 114.554 0.019 0.000 3.081 145 T HA 0.327 4.677 4.350 -0.001 0.000 0.250 145 T C 1.447 176.157 174.700 0.017 0.000 1.100 145 T CA 0.541 62.651 62.100 0.016 0.000 1.038 145 T CB 0.713 69.590 68.868 0.014 0.000 0.962 145 T HN 0.537 nan 8.240 nan 0.000 0.516 146 G N 0.377 109.189 108.800 0.019 0.000 2.218 146 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.216 146 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.216 146 G C 0.111 175.023 174.900 0.021 0.000 0.994 146 G CA 0.126 45.238 45.100 0.020 0.000 0.637 146 G HN 1.241 nan 8.290 nan 0.000 0.505 147 S N -1.061 114.650 115.700 0.018 0.000 2.548 147 S HA 0.605 5.075 4.470 -0.001 0.000 0.276 147 S C 1.246 175.852 174.600 0.010 0.000 1.129 147 S CA 0.379 58.589 58.200 0.015 0.000 0.931 147 S CB 1.916 65.125 63.200 0.014 0.000 1.068 147 S HN 0.799 nan 8.310 nan 0.000 0.480 148 V N 4.189 124.106 119.914 0.005 0.000 2.295 148 V HA -0.115 4.005 4.120 -0.001 0.000 0.246 148 V C 2.598 178.690 176.094 -0.004 0.000 1.049 148 V CA 2.481 64.780 62.300 -0.002 0.000 1.024 148 V CB -0.844 30.971 31.823 -0.013 0.000 0.648 148 V HN 1.010 nan 8.190 nan 0.000 0.447 149 E N 0.224 120.421 120.200 -0.005 0.000 2.058 149 E HA -0.310 4.040 4.350 -0.001 0.000 0.194 149 E C 2.311 178.912 176.600 0.001 0.000 0.997 149 E CA 1.834 58.232 56.400 -0.004 0.000 0.801 149 E CB -0.101 29.597 29.700 -0.003 0.000 0.746 149 E HN 0.555 nan 8.360 nan 0.000 0.450 150 K N 0.235 120.638 120.400 0.005 0.000 2.057 150 K HA -0.185 4.135 4.320 -0.001 0.000 0.207 150 K C 1.726 178.332 176.600 0.010 0.000 1.049 150 K CA 1.910 58.201 56.287 0.008 0.000 0.931 150 K CB 0.006 32.512 32.500 0.010 0.000 0.714 150 K HN 0.064 nan 8.250 nan 0.000 0.440 151 D N -0.034 120.372 120.400 0.010 0.000 2.104 151 D HA -0.159 4.481 4.640 -0.001 0.000 0.194 151 D C 1.831 178.140 176.300 0.015 0.000 0.994 151 D CA 1.348 55.356 54.000 0.014 0.000 0.830 151 D CB -0.153 40.655 40.800 0.014 0.000 0.959 151 D HN 0.023 nan 8.370 nan 0.000 0.452 152 V N 0.811 120.730 119.914 0.008 0.000 2.427 152 V HA -0.183 3.937 4.120 -0.001 0.000 0.248 152 V C 2.381 178.481 176.094 0.010 0.000 1.051 152 V CA 1.695 63.999 62.300 0.007 0.000 1.048 152 V CB -0.779 31.041 31.823 -0.006 0.000 0.666 152 V HN 0.199 nan 8.190 nan 0.000 0.456 153 A N 0.653 123.477 122.820 0.007 0.000 1.898 153 A HA -0.091 4.228 4.320 -0.001 0.000 0.216 153 A C 2.126 179.718 177.584 0.013 0.000 1.181 153 A CA 2.015 54.056 52.037 0.008 0.000 0.620 153 A CB -0.396 18.607 19.000 0.005 0.000 0.819 153 A HN 0.716 nan 8.150 nan 0.000 0.442 154 I N -4.045 116.534 120.570 0.015 0.000 4.070 154 I HA 0.336 4.506 4.170 -0.001 0.000 0.328 154 I C -0.488 175.642 176.117 0.021 0.000 1.298 154 I CA -0.285 61.025 61.300 0.017 0.000 1.173 154 I CB 0.397 38.405 38.000 0.013 0.000 1.051 154 I HN -0.108 nan 8.210 nan 0.000 0.409 155 I N 4.462 125.047 120.570 0.025 0.000 2.301 155 I HA 0.073 4.243 4.170 -0.001 0.000 0.292 155 I C 1.154 177.297 176.117 0.043 0.000 1.046 155 I CA -0.188 61.129 61.300 0.029 0.000 1.282 155 I CB 0.644 38.661 38.000 0.028 0.000 1.409 155 I HN 0.336 nan 8.210 nan 0.000 0.484 156 D N 7.434 127.859 120.400 0.041 0.000 2.154 156 D HA -0.276 4.364 4.640 -0.001 0.000 0.190 156 D C 1.168 177.530 176.300 0.103 0.000 1.003 156 D CA 1.649 55.684 54.000 0.059 0.000 0.849 156 D CB 0.051 40.873 40.800 0.038 0.000 0.942 156 D HN 0.356 nan 8.370 nan 0.000 0.446 157 R N 0.269 120.817 120.500 0.081 0.000 2.307 157 R HA 0.193 4.532 4.340 -0.001 0.000 0.199 157 R C 0.246 176.665 176.300 0.198 0.000 1.000 157 R CA -0.192 55.984 56.100 0.125 0.000 1.023 157 R CB -0.730 29.574 30.300 0.008 0.000 0.908 157 R HN 0.210 nan 8.270 nan 0.000 0.473 158 V N 3.367 123.357 119.914 0.127 0.000 2.432 158 V HA 0.112 4.231 4.120 -0.001 0.000 0.271 158 V C 1.647 177.794 176.094 0.088 0.000 1.046 158 V CA -0.111 62.247 62.300 0.098 0.000 0.945 158 V CB 1.059 32.914 31.823 0.054 0.000 0.992 158 V HN 0.201 nan 8.190 nan 0.000 0.471 159 I N 1.703 122.314 120.570 0.069 0.000 4.181 159 I HA 0.713 4.882 4.170 -0.001 0.000 0.331 159 I C 0.736 176.834 176.117 -0.031 0.000 1.312 159 I CA 0.368 61.667 61.300 -0.002 0.000 1.146 159 I CB 0.623 38.582 38.000 -0.069 0.000 1.074 159 I HN 0.650 nan 8.210 nan 0.000 0.402 160 G N 0.590 109.382 108.800 -0.014 0.000 2.428 160 G HA2 0.462 4.422 3.960 -0.001 0.000 0.305 160 G HA3 0.462 4.422 3.960 -0.001 0.000 0.305 160 G C -1.849 173.034 174.900 -0.029 0.000 1.260 160 G CA 0.155 45.237 45.100 -0.030 0.000 0.853 160 G HN 0.006 nan 8.290 nan 0.000 0.480 164 A N 0.795 123.548 122.820 -0.111 0.000 2.371 164 A HA 0.971 5.291 4.320 -0.001 0.000 0.311 164 A C -0.716 176.845 177.584 -0.039 0.000 1.068 164 A CA -0.320 51.599 52.037 -0.196 0.000 0.744 164 A CB 0.941 19.467 19.000 -0.789 0.000 1.239 164 A HN 2.108 nan 8.150 nan 0.000 0.435 165 I N -1.869 118.724 120.570 0.039 0.000 3.074 165 I HA 0.722 4.891 4.170 -0.001 0.000 0.310 165 I C 0.196 176.317 176.117 0.005 0.000 1.153 165 I CA -0.867 60.452 61.300 0.031 0.000 0.993 165 I CB 2.024 40.063 38.000 0.064 0.000 1.237 165 I HN 0.627 nan 8.210 nan 0.000 0.443 166 S N 1.269 116.967 115.700 -0.003 0.000 3.559 166 S HA -0.193 4.277 4.470 -0.001 0.000 0.369 166 S C -0.459 174.153 174.600 0.020 0.000 0.987 166 S CA 1.318 59.517 58.200 -0.001 0.000 1.187 166 S CB -1.562 61.620 63.200 -0.030 0.000 0.914 166 S HN 0.968 nan 8.310 nan 0.000 0.480 167 D N -0.877 119.539 120.400 0.026 0.000 2.859 167 D HA 0.284 4.923 4.640 -0.001 0.000 0.223 167 D C 0.707 177.008 176.300 0.001 0.000 1.218 167 D CA -0.605 53.414 54.000 0.031 0.000 0.850 167 D CB 0.997 41.822 40.800 0.041 0.000 1.656 167 D HN 0.402 nan 8.370 nan 0.000 0.484 168 H N 1.599 120.708 119.070 0.064 0.000 2.561 168 H HA 0.154 4.710 4.556 -0.001 0.000 0.278 168 H C 0.837 176.204 175.328 0.065 0.000 1.014 168 H CA 0.895 56.974 56.048 0.052 0.000 1.211 168 H CB 0.105 29.893 29.762 0.043 0.000 1.365 168 H HN 0.094 nan 8.280 nan 0.000 0.594 169 R N 0.920 121.182 120.500 -0.397 0.000 2.393 169 R HA 0.139 4.478 4.340 -0.001 0.000 0.244 169 R C 0.320 176.628 176.300 0.014 0.000 0.920 169 R CA 0.326 56.334 56.100 -0.153 0.000 1.076 169 R CB 0.580 30.819 30.300 -0.102 0.000 1.119 169 R HN 0.409 nan 8.270 nan 0.000 0.524 170 S N -0.319 115.363 115.700 -0.031 0.000 2.617 170 S HA 0.249 4.718 4.470 -0.001 0.000 0.259 170 S C 1.027 175.610 174.600 -0.028 0.000 1.301 170 S CA -0.278 57.904 58.200 -0.029 0.000 0.984 170 S CB 1.511 64.686 63.200 -0.041 0.000 0.954 170 S HN 0.184 nan 8.310 nan 0.000 0.572 171 A N 0.182 122.944 122.820 -0.097 0.000 2.415 171 A HA 0.664 4.983 4.320 -0.001 0.000 0.248 171 A C 1.237 178.734 177.584 -0.144 0.000 1.299 171 A CA 0.201 52.126 52.037 -0.187 0.000 0.899 171 A CB -1.549 17.129 19.000 -0.538 0.000 0.997 171 A HN 2.304 nan 8.150 nan 0.000 0.506 172 A N 0.307 123.080 122.820 -0.079 0.000 2.687 172 A HA -0.094 4.226 4.320 -0.001 0.000 0.299 172 A C -1.349 176.195 177.584 -0.067 0.000 1.497 172 A CA 0.457 52.464 52.037 -0.051 0.000 0.751 172 A CB -2.194 16.785 19.000 -0.034 0.000 1.048 172 A HN 0.559 nan 8.150 nan 0.000 0.464 173 P HA 0.398 nan 4.420 nan 0.000 0.269 173 P C -0.181 177.127 177.300 0.014 0.000 1.209 173 P CA 0.280 63.342 63.100 -0.063 0.000 0.776 173 P CB 0.626 32.310 31.700 -0.026 0.000 0.876 174 D N 0.674 121.115 120.400 0.070 0.000 2.388 174 D HA -0.003 4.636 4.640 -0.001 0.000 0.254 174 D C 1.134 177.531 176.300 0.161 0.000 1.111 174 D CA -0.887 53.191 54.000 0.130 0.000 0.993 174 D CB 0.567 41.473 40.800 0.177 0.000 1.118 174 D HN 0.084 nan 8.370 nan 0.000 0.502 175 V N 0.813 120.812 119.914 0.142 0.000 2.392 175 V HA -0.270 3.850 4.120 -0.001 0.000 0.249 175 V C 1.956 178.134 176.094 0.139 0.000 1.059 175 V CA 1.844 64.219 62.300 0.125 0.000 1.051 175 V CB -1.052 30.835 31.823 0.107 0.000 0.658 175 V HN 0.627 nan 8.190 nan 0.000 0.455 176 Y N 0.988 121.328 120.300 0.068 0.000 2.145 176 Y HA -0.278 4.271 4.550 -0.001 0.000 0.286 176 Y C 2.361 178.231 175.900 -0.050 0.000 1.145 176 Y CA 2.456 60.553 58.100 -0.004 0.000 1.148 176 Y CB -0.676 37.750 38.460 -0.056 0.000 0.981 176 Y HN 0.561 nan 8.280 nan 0.000 0.507 177 H N -0.496 118.489 119.070 -0.142 0.000 2.387 177 H HA -0.120 4.436 4.556 -0.001 0.000 0.299 177 H C 2.276 177.488 175.328 -0.194 0.000 1.090 177 H CA 2.093 58.007 56.048 -0.225 0.000 1.332 177 H CB -0.289 29.442 29.762 -0.051 0.000 1.386 177 H HN 0.333 nan 8.280 nan 0.000 0.516 178 L N -0.493 120.747 121.223 0.028 0.000 2.027 178 L HA -0.139 4.201 4.340 -0.001 0.000 0.206 178 L C 2.728 179.590 176.870 -0.013 0.000 1.074 178 L CA 0.860 55.723 54.840 0.039 0.000 0.745 178 L CB -0.529 41.601 42.059 0.119 0.000 0.898 178 L HN 0.345 nan 8.230 nan 0.000 0.433 179 A N 0.584 123.376 122.820 -0.047 0.000 1.865 179 A HA -0.317 4.002 4.320 -0.001 0.000 0.217 179 A C 2.015 179.521 177.584 -0.129 0.000 1.191 179 A CA 2.452 54.460 52.037 -0.047 0.000 0.623 179 A CB -0.956 18.038 19.000 -0.010 0.000 0.826 179 A HN 0.521 nan 8.150 nan 0.000 0.444 180 N N -0.590 117.911 118.700 -0.331 0.000 2.036 180 N HA -0.223 4.517 4.740 -0.001 0.000 0.195 180 N C 1.849 177.256 175.510 -0.172 0.000 1.037 180 N CA 2.361 55.209 53.050 -0.336 0.000 0.855 180 N CB -0.339 37.726 38.487 -0.703 0.000 1.033 180 N HN 0.550 nan 8.380 nan 0.000 0.423 181 M N -0.275 119.234 119.600 -0.151 0.000 2.080 181 M HA -0.145 4.335 4.480 -0.001 0.000 0.260 181 M C 1.955 178.216 176.300 -0.065 0.000 1.068 181 M CA 2.004 57.252 55.300 -0.086 0.000 1.109 181 M CB -0.256 32.302 32.600 -0.070 0.000 1.342 181 M HN 0.298 nan 8.290 nan 0.000 0.405 182 A N 0.189 122.983 122.820 -0.044 0.000 1.933 182 A HA -0.038 4.282 4.320 -0.001 0.000 0.218 182 A C 2.300 179.879 177.584 -0.009 0.000 1.175 182 A CA 1.865 53.895 52.037 -0.011 0.000 0.628 182 A CB -1.128 17.912 19.000 0.068 0.000 0.814 182 A HN 0.693 nan 8.150 nan 0.000 0.444 183 A N -0.263 122.547 122.820 -0.018 0.000 1.902 183 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 183 A C 1.952 179.525 177.584 -0.018 0.000 1.181 183 A CA 1.575 53.604 52.037 -0.012 0.000 0.623 183 A CB -0.476 18.516 19.000 -0.014 0.000 0.818 183 A HN 0.620 nan 8.150 nan 0.000 0.443 184 E N -0.574 119.607 120.200 -0.031 0.000 2.077 184 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 184 E C 2.318 178.905 176.600 -0.022 0.000 0.989 184 E CA 1.213 57.598 56.400 -0.025 0.000 0.800 184 E CB -0.236 29.446 29.700 -0.029 0.000 0.746 184 E HN 0.589 nan 8.360 nan 0.000 0.452 185 S N 0.673 116.356 115.700 -0.028 0.000 2.359 185 S HA -0.196 4.273 4.470 -0.001 0.000 0.224 185 S C 2.056 176.640 174.600 -0.027 0.000 1.035 185 S CA 1.083 59.265 58.200 -0.030 0.000 1.018 185 S CB -0.083 63.092 63.200 -0.042 0.000 0.876 185 S HN 0.098 nan 8.310 nan 0.000 0.448 186 R N 0.868 121.355 120.500 -0.021 0.000 2.097 186 R HA -0.076 4.264 4.340 -0.001 0.000 0.236 186 R C 2.227 178.515 176.300 -0.020 0.000 1.135 186 R CA 2.092 58.179 56.100 -0.020 0.000 0.934 186 R CB -1.313 28.982 30.300 -0.007 0.000 0.846 186 R HN 0.436 nan 8.270 nan 0.000 0.431 187 V N 0.247 120.153 119.914 -0.014 0.000 2.295 187 V HA -0.175 3.945 4.120 -0.001 0.000 0.246 187 V C 2.504 178.591 176.094 -0.012 0.000 1.049 187 V CA 2.023 64.317 62.300 -0.011 0.000 1.024 187 V CB -1.152 30.668 31.823 -0.006 0.000 0.648 187 V HN 0.610 nan 8.190 nan 0.000 0.447 188 G N -0.019 108.774 108.800 -0.012 0.000 2.442 188 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.219 188 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.219 188 G C 1.585 176.477 174.900 -0.013 0.000 1.141 188 G CA 1.027 46.121 45.100 -0.010 0.000 0.763 188 G HN 0.602 nan 8.290 nan 0.000 0.554 189 G N 0.628 109.414 108.800 -0.023 0.000 2.421 189 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.217 189 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.217 189 G C 1.785 176.667 174.900 -0.030 0.000 1.143 189 G CA 0.554 45.635 45.100 -0.032 0.000 0.784 189 G HN 0.426 nan 8.290 nan 0.000 0.541 190 L N -0.015 121.193 121.223 -0.026 0.000 2.046 190 L HA -0.045 4.294 4.340 -0.001 0.000 0.208 190 L C 2.889 179.751 176.870 -0.014 0.000 1.077 190 L CA 0.730 55.557 54.840 -0.022 0.000 0.747 190 L CB -0.451 41.598 42.059 -0.017 0.000 0.896 190 L HN 0.190 nan 8.230 nan 0.000 0.432 191 L N -0.525 120.692 121.223 -0.010 0.000 2.056 191 L HA -0.103 4.237 4.340 -0.001 0.000 0.207 191 L C 2.421 179.290 176.870 -0.002 0.000 1.078 191 L CA 1.400 56.237 54.840 -0.004 0.000 0.749 191 L CB -0.955 41.103 42.059 -0.001 0.000 0.901 191 L HN 0.318 nan 8.230 nan 0.000 0.433 192 G N -1.428 107.370 108.800 -0.003 0.000 2.985 192 G HA2 0.246 4.205 3.960 -0.001 0.000 0.209 192 G HA3 0.246 4.205 3.960 -0.001 0.000 0.209 192 G C 1.148 176.049 174.900 0.003 0.000 1.165 192 G CA 0.414 45.516 45.100 0.004 0.000 0.776 192 G HN 0.512 nan 8.290 nan 0.000 0.541 193 G N 0.219 109.014 108.800 -0.009 0.000 2.225 193 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.264 193 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.264 193 G C 0.177 175.060 174.900 -0.028 0.000 1.060 193 G CA 0.275 45.366 45.100 -0.015 0.000 0.833 193 G HN 0.480 nan 8.290 nan 0.000 0.498 194 K N -0.779 119.597 120.400 -0.040 0.000 2.295 194 K HA 0.541 4.860 4.320 -0.001 0.000 0.239 194 K C -1.585 174.955 176.600 -0.099 0.000 0.991 194 K CA -1.976 54.271 56.287 -0.066 0.000 0.845 194 K CB 1.842 34.315 32.500 -0.044 0.000 1.197 194 K HN -0.077 nan 8.250 nan 0.000 0.441 195 P HA -0.117 nan 4.420 nan 0.000 0.220 195 P C 0.532 177.738 177.300 -0.158 0.000 1.148 195 P CA 1.225 64.208 63.100 -0.194 0.000 0.803 195 P CB 0.072 31.599 31.700 -0.288 0.000 0.782 196 G N 0.239 108.972 108.800 -0.112 0.000 2.314 196 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.292 196 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.292 196 G C 0.209 175.063 174.900 -0.076 0.000 1.059 196 G CA 0.213 45.267 45.100 -0.077 0.000 0.982 196 G HN 0.535 nan 8.290 nan 0.000 0.505 197 V N -3.052 116.810 119.914 -0.086 0.000 3.134 197 V HA 0.944 5.064 4.120 -0.001 0.000 0.313 197 V C 0.486 176.569 176.094 -0.018 0.000 1.069 197 V CA -0.224 62.054 62.300 -0.035 0.000 1.048 197 V CB 1.941 33.759 31.823 -0.009 0.000 1.119 197 V HN 0.440 nan 8.190 nan 0.000 0.461 198 T N 1.687 116.245 114.554 0.007 0.000 2.847 198 T HA 0.557 4.907 4.350 -0.001 0.000 0.291 198 T C -0.600 173.995 174.700 -0.175 0.000 0.998 198 T CA -0.267 61.738 62.100 -0.159 0.000 0.967 198 T CB 1.252 69.981 68.868 -0.232 0.000 0.954 198 T HN 0.676 nan 8.240 nan 0.000 0.441 199 V N 4.676 124.446 119.914 -0.240 0.000 2.370 199 V HA 0.499 4.619 4.120 -0.001 0.000 0.279 199 V C -0.804 175.120 176.094 -0.283 0.000 1.029 199 V CA -0.725 61.505 62.300 -0.116 0.000 0.870 199 V CB 0.526 32.339 31.823 -0.017 0.000 0.984 199 V HN 0.769 nan 8.190 nan 0.000 0.451 200 F N 3.481 123.396 119.950 -0.057 0.000 2.361 200 F HA 0.385 4.911 4.527 -0.001 0.000 0.364 200 F C 0.449 176.185 175.800 -0.106 0.000 1.117 200 F CA -0.766 57.184 58.000 -0.082 0.000 1.071 200 F CB 0.607 39.521 39.000 -0.143 0.000 1.188 200 F HN 0.635 nan 8.300 nan 0.000 0.464 201 H N 4.226 123.290 119.070 -0.009 0.000 2.929 201 H HA 0.306 4.862 4.556 -0.001 0.000 0.317 201 H C -0.610 174.707 175.328 -0.019 0.000 1.031 201 H CA -0.358 55.673 56.048 -0.028 0.000 1.466 201 H CB 0.568 30.255 29.762 -0.124 0.000 1.482 201 H HN 0.377 nan 8.280 nan 0.000 0.561 202 M N 4.879 124.195 119.600 -0.474 0.000 2.300 202 M HA 0.319 4.798 4.480 -0.001 0.000 0.348 202 M C 0.823 176.863 176.300 -0.433 0.000 1.151 202 M CA -0.334 54.772 55.300 -0.323 0.000 1.046 202 M CB 1.478 33.960 32.600 -0.198 0.000 1.647 202 M HN 0.890 nan 8.290 nan 0.000 0.451 203 G N 1.116 109.815 108.800 -0.169 0.000 2.857 203 G HA2 0.372 4.331 3.960 -0.001 0.000 0.217 203 G HA3 0.372 4.331 3.960 -0.001 0.000 0.217 203 G C -0.195 174.699 174.900 -0.010 0.000 1.357 203 G CA -0.322 44.756 45.100 -0.037 0.000 1.033 203 G HN 0.639 nan 8.290 nan 0.000 0.571 204 D N -0.061 120.368 120.400 0.049 0.000 2.358 204 D HA 0.145 4.784 4.640 -0.001 0.000 0.224 204 D C 1.167 177.490 176.300 0.038 0.000 1.123 204 D CA 0.060 54.084 54.000 0.039 0.000 0.833 204 D CB 0.525 41.356 40.800 0.051 0.000 0.946 204 D HN 0.211 nan 8.370 nan 0.000 0.505 205 S N 0.306 116.028 115.700 0.037 0.000 2.573 205 S HA 0.024 4.494 4.470 -0.001 0.000 0.277 205 S C 1.327 175.937 174.600 0.016 0.000 1.346 205 S CA -0.158 58.062 58.200 0.032 0.000 1.034 205 S CB 1.368 64.586 63.200 0.030 0.000 0.879 205 S HN -0.078 nan 8.310 nan 0.000 0.528 206 K N 2.172 122.582 120.400 0.017 0.000 2.362 206 K HA -0.039 4.281 4.320 -0.001 0.000 0.200 206 K C 1.773 178.378 176.600 0.009 0.000 1.046 206 K CA 1.239 57.533 56.287 0.013 0.000 0.952 206 K CB -0.024 32.484 32.500 0.013 0.000 0.753 206 K HN 0.617 nan 8.250 nan 0.000 0.466 207 K N 0.362 120.766 120.400 0.008 0.000 2.283 207 K HA 0.041 4.360 4.320 -0.001 0.000 0.202 207 K C 1.145 177.742 176.600 -0.005 0.000 1.048 207 K CA 0.695 56.986 56.287 0.005 0.000 0.948 207 K CB -0.207 32.296 32.500 0.006 0.000 0.742 207 K HN 0.154 nan 8.250 nan 0.000 0.458 208 A N 1.337 124.145 122.820 -0.019 0.000 5.318 208 A HA -0.335 3.985 4.320 -0.001 0.000 0.329 208 A C 1.262 178.789 177.584 -0.095 0.000 1.789 208 A CA 1.731 53.740 52.037 -0.046 0.000 0.711 208 A CB -1.577 17.408 19.000 -0.025 0.000 1.398 208 A HN 0.235 nan 8.150 nan 0.000 0.392 209 L N -0.066 121.092 121.223 -0.109 0.000 2.552 209 L HA -0.096 4.244 4.340 -0.001 0.000 0.227 209 L C 2.473 179.242 176.870 -0.168 0.000 1.146 209 L CA 1.314 56.010 54.840 -0.239 0.000 0.858 209 L CB -0.459 41.408 42.059 -0.319 0.000 0.969 209 L HN 0.797 nan 8.230 nan 0.000 0.451 210 Q N 1.292 121.098 119.800 0.010 0.000 2.082 210 Q HA -0.214 4.126 4.340 -0.001 0.000 0.211 210 Q C -0.642 175.367 176.000 0.015 0.000 1.002 210 Q CA 2.462 58.320 55.803 0.091 0.000 0.868 210 Q CB -1.310 27.468 28.738 0.067 0.000 0.931 210 Q HN 0.260 nan 8.270 nan 0.000 0.414 211 P HA -0.145 nan 4.420 nan 0.000 0.217 211 P C 0.969 178.179 177.300 -0.151 0.000 1.148 211 P CA 1.357 64.415 63.100 -0.070 0.000 0.828 211 P CB -0.178 31.485 31.700 -0.062 0.000 0.783 212 I N -2.754 117.604 120.570 -0.353 0.000 2.315 212 I HA -0.248 3.921 4.170 -0.001 0.000 0.248 212 I C 2.194 178.137 176.117 -0.291 0.000 1.117 212 I CA 1.498 62.494 61.300 -0.506 0.000 1.404 212 I CB -0.748 36.713 38.000 -0.899 0.000 1.071 212 I HN -0.079 nan 8.210 nan 0.000 0.419 213 Y N 1.281 121.531 120.300 -0.082 0.000 2.242 213 Y HA -0.217 4.333 4.550 -0.001 0.000 0.291 213 Y C 2.361 178.259 175.900 -0.005 0.000 1.137 213 Y CA 1.004 59.096 58.100 -0.014 0.000 1.181 213 Y CB -0.733 37.720 38.460 -0.011 0.000 0.989 213 Y HN 0.186 nan 8.280 nan 0.000 0.527 214 D N 0.043 120.525 120.400 0.138 0.000 2.092 214 D HA -0.207 4.432 4.640 -0.001 0.000 0.193 214 D C 2.375 178.719 176.300 0.074 0.000 0.994 214 D CA 1.164 55.218 54.000 0.090 0.000 0.828 214 D CB -0.760 40.079 40.800 0.064 0.000 0.963 214 D HN 0.307 nan 8.370 nan 0.000 0.450 215 L N 0.393 121.645 121.223 0.048 0.000 2.013 215 L HA -0.195 4.145 4.340 -0.001 0.000 0.212 215 L C 2.276 179.186 176.870 0.066 0.000 1.073 215 L CA 1.216 56.088 54.840 0.053 0.000 0.753 215 L CB -0.216 41.865 42.059 0.038 0.000 0.890 215 L HN 0.032 nan 8.230 nan 0.000 0.432 216 L N -0.467 120.799 121.223 0.071 0.000 2.265 216 L HA -0.206 4.134 4.340 -0.001 0.000 0.215 216 L C 2.285 179.204 176.870 0.082 0.000 1.117 216 L CA 1.106 55.998 54.840 0.086 0.000 0.782 216 L CB -0.392 41.738 42.059 0.118 0.000 0.914 216 L HN 0.365 nan 8.230 nan 0.000 0.441 217 E N -0.431 119.820 120.200 0.085 0.000 2.371 217 E HA -0.040 4.310 4.350 -0.001 0.000 0.194 217 E C 0.961 177.598 176.600 0.061 0.000 1.012 217 E CA 0.195 56.636 56.400 0.069 0.000 0.860 217 E CB 0.239 29.979 29.700 0.066 0.000 0.811 217 E HN 0.466 nan 8.360 nan 0.000 0.502 218 N N 0.031 118.772 118.700 0.067 0.000 2.273 218 N HA 0.094 4.833 4.740 -0.001 0.000 0.231 218 N C -0.363 175.189 175.510 0.070 0.000 1.134 218 N CA 0.151 53.244 53.050 0.071 0.000 0.856 218 N CB 0.746 39.285 38.487 0.086 0.000 1.068 218 N HN 0.150 nan 8.380 nan 0.000 0.510 219 C N -2.292 117.045 119.300 0.060 0.000 3.259 219 C HA 0.366 4.825 4.460 -0.001 0.000 0.344 219 C C -0.701 174.317 174.990 0.047 0.000 1.401 219 C CA -0.796 58.254 59.018 0.054 0.000 1.219 219 C CB 1.455 29.226 27.740 0.051 0.000 1.521 219 C HN 0.089 nan 8.230 nan 0.000 0.455 220 D N 0.881 121.305 120.400 0.039 0.000 2.501 220 D HA 0.210 4.850 4.640 -0.001 0.000 0.226 220 D C 0.286 176.605 176.300 0.032 0.000 1.198 220 D CA 0.333 54.352 54.000 0.033 0.000 0.830 220 D CB 1.155 41.971 40.800 0.026 0.000 1.014 220 D HN 0.467 nan 8.370 nan 0.000 0.496 221 V N 3.212 123.151 119.914 0.041 0.000 2.521 221 V HA 0.093 4.213 4.120 -0.001 0.000 0.286 221 V C -1.849 174.274 176.094 0.049 0.000 1.034 221 V CA -1.058 61.268 62.300 0.044 0.000 1.045 221 V CB 0.608 32.467 31.823 0.060 0.000 0.974 221 V HN -0.021 nan 8.190 nan 0.000 0.480 222 P HA 0.171 nan 4.420 nan 0.000 0.268 222 P C 1.024 178.358 177.300 0.056 0.000 1.205 222 P CA -0.107 63.013 63.100 0.032 0.000 0.771 222 P CB 0.734 32.443 31.700 0.014 0.000 0.858 223 I N 2.332 122.927 120.570 0.041 0.000 2.530 223 I HA -0.279 3.890 4.170 -0.001 0.000 0.257 223 I C 1.650 177.819 176.117 0.086 0.000 1.179 223 I CA 1.775 63.103 61.300 0.046 0.000 1.440 223 I CB -0.012 37.947 38.000 -0.069 0.000 1.087 223 I HN 0.337 nan 8.210 nan 0.000 0.440 224 S N -0.356 115.387 115.700 0.072 0.000 2.603 224 S HA 0.006 4.475 4.470 -0.001 0.000 0.229 224 S C 1.560 176.264 174.600 0.174 0.000 0.972 224 S CA 0.173 58.452 58.200 0.131 0.000 0.935 224 S CB -0.165 63.068 63.200 0.054 0.000 0.769 224 S HN 0.361 nan 8.310 nan 0.000 0.536 225 K N 0.771 121.262 120.400 0.151 0.000 2.353 225 K HA 0.391 4.710 4.320 -0.001 0.000 0.195 225 K C -0.027 176.743 176.600 0.283 0.000 1.031 225 K CA 0.058 56.412 56.287 0.111 0.000 1.079 225 K CB 0.215 32.745 32.500 0.049 0.000 0.857 225 K HN 0.459 nan 8.250 nan 0.000 0.535 226 L N 1.854 123.307 121.223 0.383 0.000 2.265 226 L HA 0.403 4.742 4.340 -0.001 0.000 0.289 226 L C -0.503 176.642 176.870 0.459 0.000 1.033 226 L CA -0.900 54.226 54.840 0.477 0.000 0.814 226 L CB 0.916 43.215 42.059 0.401 0.000 1.203 226 L HN -0.172 nan 8.230 nan 0.000 0.423 227 L N 7.151 128.632 121.223 0.429 0.000 2.372 227 L HA 0.621 4.961 4.340 -0.001 0.000 0.273 227 L C -2.507 174.447 176.870 0.140 0.000 0.989 227 L CA -1.443 53.502 54.840 0.176 0.000 0.841 227 L CB 1.775 43.861 42.059 0.046 0.000 1.225 227 L HN 0.237 nan 8.230 nan 0.000 0.414 228 P HA 0.291 nan 4.420 nan 0.000 0.285 228 P C -0.913 176.288 177.300 -0.165 0.000 1.259 228 P CA -0.230 62.769 63.100 -0.169 0.000 0.794 228 P CB 1.591 33.030 31.700 -0.435 0.000 0.940 229 T N 1.478 115.907 114.554 -0.208 0.000 2.930 229 T HA 0.384 4.734 4.350 -0.001 0.000 0.290 229 T C -0.094 174.344 174.700 -0.436 0.000 1.052 229 T CA -0.155 61.739 62.100 -0.344 0.000 1.017 229 T CB 0.135 68.763 68.868 -0.401 0.000 1.137 229 T HN 0.525 nan 8.240 nan 0.000 0.511 230 H N 0.182 119.185 119.070 -0.112 0.000 2.862 230 H HA -0.131 4.425 4.556 -0.001 0.000 0.290 230 H C 1.422 176.701 175.328 -0.081 0.000 1.211 230 H CA 0.830 56.804 56.048 -0.122 0.000 1.140 230 H CB -2.449 27.201 29.762 -0.187 0.000 1.341 230 H HN 0.500 nan 8.280 nan 0.000 0.392 231 V N -0.627 119.307 119.914 0.033 0.000 2.720 231 V HA -0.226 3.894 4.120 -0.001 0.000 0.256 231 V C 1.970 178.198 176.094 0.224 0.000 1.082 231 V CA 2.011 64.359 62.300 0.080 0.000 1.101 231 V CB -0.134 31.708 31.823 0.032 0.000 0.693 231 V HN 0.544 nan 8.190 nan 0.000 0.479 232 N N 2.310 121.103 118.700 0.155 0.000 2.461 232 N HA -0.115 4.624 4.740 -0.001 0.000 0.188 232 N C 1.744 177.242 175.510 -0.020 0.000 1.134 232 N CA 0.932 53.997 53.050 0.025 0.000 0.878 232 N CB -0.645 37.772 38.487 -0.116 0.000 0.972 232 N HN 0.800 nan 8.380 nan 0.000 0.456 233 R N 0.692 121.204 120.500 0.020 0.000 2.148 233 R HA -0.065 4.275 4.340 -0.001 0.000 0.227 233 R C -0.329 175.971 176.300 -0.001 0.000 1.103 233 R CA 1.091 57.189 56.100 -0.004 0.000 0.983 233 R CB -0.507 29.788 30.300 -0.009 0.000 0.874 233 R HN 0.425 nan 8.270 nan 0.000 0.451 234 N N -2.453 116.262 118.700 0.024 0.000 2.598 234 N HA 0.104 4.843 4.740 -0.001 0.000 0.263 234 N C 0.037 175.589 175.510 0.070 0.000 1.254 234 N CA -0.717 52.350 53.050 0.029 0.000 0.863 234 N CB 1.690 40.191 38.487 0.023 0.000 1.586 234 N HN -0.218 nan 8.380 nan 0.000 0.491 235 V N 0.539 120.489 119.914 0.059 0.000 2.295 235 V HA -0.043 4.077 4.120 -0.001 0.000 0.246 235 V C -0.986 175.185 176.094 0.128 0.000 1.049 235 V CA 1.856 64.216 62.300 0.100 0.000 1.024 235 V CB -1.385 30.474 31.823 0.060 0.000 0.648 235 V HN 0.713 nan 8.190 nan 0.000 0.447 236 P HA -0.141 nan 4.420 nan 0.000 0.217 236 P C 1.913 179.245 177.300 0.053 0.000 1.150 236 P CA 1.207 64.342 63.100 0.058 0.000 0.832 236 P CB -0.086 31.636 31.700 0.036 0.000 0.787 237 L N -1.295 119.961 121.223 0.055 0.000 2.017 237 L HA -0.097 4.243 4.340 -0.001 0.000 0.208 237 L C 2.313 179.207 176.870 0.040 0.000 1.073 237 L CA 1.724 56.580 54.840 0.027 0.000 0.745 237 L CB -1.578 40.491 42.059 0.017 0.000 0.894 237 L HN -0.177 nan 8.230 nan 0.000 0.432 238 F N 0.677 120.612 119.950 -0.025 0.000 2.091 238 F HA -0.238 4.289 4.527 -0.001 0.000 0.299 238 F C 2.411 178.210 175.800 -0.001 0.000 1.103 238 F CA 2.050 60.038 58.000 -0.020 0.000 1.228 238 F CB -0.267 38.722 39.000 -0.018 0.000 0.984 238 F HN 0.195 nan 8.300 nan 0.000 0.477 239 E N 0.434 120.652 120.200 0.029 0.000 2.085 239 E HA -0.266 4.083 4.350 -0.001 0.000 0.194 239 E C 2.111 178.655 176.600 -0.093 0.000 0.994 239 E CA 1.889 58.265 56.400 -0.041 0.000 0.801 239 E CB -0.675 29.055 29.700 0.049 0.000 0.743 239 E HN 0.681 nan 8.360 nan 0.000 0.453 240 Q N 0.191 119.961 119.800 -0.049 0.000 2.224 240 Q HA 0.032 4.371 4.340 -0.001 0.000 0.203 240 Q C 2.149 178.135 176.000 -0.024 0.000 0.970 240 Q CA 1.125 56.924 55.803 -0.006 0.000 0.865 240 Q CB -0.209 28.557 28.738 0.046 0.000 0.922 240 Q HN 0.184 nan 8.270 nan 0.000 0.445 241 A N 1.785 124.516 122.820 -0.148 0.000 1.933 241 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 241 A C 2.160 179.666 177.584 -0.131 0.000 1.175 241 A CA 0.937 52.880 52.037 -0.157 0.000 0.628 241 A CB -0.661 18.181 19.000 -0.263 0.000 0.814 241 A HN 0.290 nan 8.150 nan 0.000 0.444 242 L N -0.016 121.026 121.223 -0.300 0.000 2.043 242 L HA -0.264 4.075 4.340 -0.001 0.000 0.212 242 L C 2.696 179.524 176.870 -0.070 0.000 1.075 242 L CA 2.009 56.712 54.840 -0.227 0.000 0.752 242 L CB -0.807 41.101 42.059 -0.252 0.000 0.891 242 L HN 0.617 nan 8.230 nan 0.000 0.432 243 E N -0.534 119.657 120.200 -0.015 0.000 2.152 243 E HA -0.231 4.118 4.350 -0.001 0.000 0.192 243 E C 2.126 178.783 176.600 0.096 0.000 0.983 243 E CA 0.968 57.389 56.400 0.034 0.000 0.818 243 E CB -0.436 29.298 29.700 0.056 0.000 0.758 243 E HN 0.413 nan 8.360 nan 0.000 0.467 244 F N 2.696 122.641 119.950 -0.007 0.000 2.134 244 F HA -0.102 4.425 4.527 0.000 0.000 0.299 244 F C 2.411 178.188 175.800 -0.039 0.000 1.097 244 F CA 1.460 59.459 58.000 -0.000 0.000 1.264 244 F CB -0.278 38.660 39.000 -0.102 0.000 1.001 244 F HN 0.017 nan 8.300 nan 0.000 0.479 245 A N 0.425 123.239 122.820 -0.011 0.000 1.933 245 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 245 A C 2.385 179.892 177.584 -0.128 0.000 1.175 245 A CA 1.527 53.499 52.037 -0.108 0.000 0.628 245 A CB -0.853 18.119 19.000 -0.046 0.000 0.814 245 A HN 0.442 nan 8.150 nan 0.000 0.444 246 R N -0.039 120.413 120.500 -0.081 0.000 2.127 246 R HA -0.120 4.219 4.340 -0.001 0.000 0.238 246 R C 1.373 177.619 176.300 -0.088 0.000 1.134 246 R CA 1.668 57.728 56.100 -0.067 0.000 0.975 246 R CB -0.156 30.120 30.300 -0.040 0.000 0.865 246 R HN 0.502 nan 8.270 nan 0.000 0.447 247 K N -1.400 118.925 120.400 -0.126 0.000 2.487 247 K HA 0.086 4.405 4.320 -0.001 0.000 0.192 247 K C 0.813 177.302 176.600 -0.184 0.000 1.027 247 K CA 0.573 56.780 56.287 -0.133 0.000 1.054 247 K CB 0.683 33.122 32.500 -0.101 0.000 0.824 247 K HN 0.431 nan 8.250 nan 0.000 0.510 248 G N 0.409 109.078 108.800 -0.217 0.000 2.192 248 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.193 248 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.193 248 G C 0.370 175.105 174.900 -0.276 0.000 0.999 248 G CA -0.480 44.505 45.100 -0.191 0.000 0.659 248 G HN 0.464 nan 8.290 nan 0.000 0.503 249 G N -0.434 108.026 108.800 -0.567 0.000 2.537 249 G HA2 0.560 4.519 3.960 -0.001 0.000 0.273 249 G HA3 0.560 4.519 3.960 -0.001 0.000 0.273 249 G C -0.148 174.627 174.900 -0.209 0.000 1.189 249 G CA 0.635 45.333 45.100 -0.672 0.000 0.881 249 G HN 0.458 nan 8.290 nan 0.000 0.535 250 T N 0.470 115.020 114.554 -0.007 0.000 2.859 250 T HA 0.529 4.879 4.350 -0.001 0.000 0.281 250 T C 0.110 174.795 174.700 -0.025 0.000 1.005 250 T CA -0.096 61.962 62.100 -0.070 0.000 1.025 250 T CB 1.092 69.809 68.868 -0.251 0.000 0.977 250 T HN 0.595 nan 8.240 nan 0.000 0.458 251 I N -0.257 120.273 120.570 -0.067 0.000 2.569 251 I HA 0.778 4.947 4.170 -0.001 0.000 0.296 251 I C -1.200 174.847 176.117 -0.116 0.000 1.028 251 I CA -1.009 60.252 61.300 -0.064 0.000 1.082 251 I CB 2.196 40.182 38.000 -0.024 0.000 1.264 251 I HN 0.352 nan 8.210 nan 0.000 0.429 252 D N 5.760 126.085 120.400 -0.126 0.000 2.344 252 D HA 0.540 5.179 4.640 -0.001 0.000 0.239 252 D C -0.832 175.425 176.300 -0.070 0.000 1.064 252 D CA -0.297 53.634 54.000 -0.115 0.000 0.829 252 D CB 1.475 42.194 40.800 -0.136 0.000 1.129 252 D HN 0.557 nan 8.370 nan 0.000 0.506 253 I N 2.775 123.321 120.570 -0.040 0.000 2.385 253 I HA 0.221 4.390 4.170 -0.001 0.000 0.294 253 I C 0.277 176.373 176.117 -0.035 0.000 0.988 253 I CA -0.457 60.836 61.300 -0.012 0.000 1.265 253 I CB 1.770 39.768 38.000 -0.002 0.000 1.388 253 I HN 0.278 nan 8.210 nan 0.000 0.480 254 T N 3.922 118.468 114.554 -0.013 0.000 2.733 254 T HA 0.068 4.417 4.350 -0.001 0.000 0.294 254 T C 1.197 175.874 174.700 -0.038 0.000 0.956 254 T CA -0.497 61.598 62.100 -0.010 0.000 0.987 254 T CB 1.195 70.110 68.868 0.079 0.000 0.920 254 T HN 0.816 nan 8.240 nan 0.000 0.470 255 S N 2.283 117.955 115.700 -0.046 0.000 2.442 255 S HA -0.122 4.348 4.470 -0.001 0.000 0.236 255 S C 1.990 176.557 174.600 -0.056 0.000 1.007 255 S CA 1.054 59.219 58.200 -0.058 0.000 0.965 255 S CB -0.373 62.794 63.200 -0.055 0.000 0.773 255 S HN 0.676 nan 8.310 nan 0.000 0.504 256 S N 0.436 116.104 115.700 -0.054 0.000 2.593 256 S HA 0.368 4.837 4.470 -0.001 0.000 0.217 256 S C 0.344 174.907 174.600 -0.062 0.000 0.966 256 S CA -0.539 57.624 58.200 -0.062 0.000 0.914 256 S CB -0.667 62.488 63.200 -0.074 0.000 0.776 256 S HN 0.564 nan 8.310 nan 0.000 0.523 257 I N 2.166 122.699 120.570 -0.061 0.000 2.359 257 I HA 0.331 4.500 4.170 -0.001 0.000 0.284 257 I C 0.028 176.105 176.117 -0.067 0.000 1.018 257 I CA -0.498 60.765 61.300 -0.062 0.000 1.173 257 I CB 1.558 39.523 38.000 -0.059 0.000 1.326 257 I HN -0.026 nan 8.210 nan 0.000 0.462 258 D N 4.240 124.604 120.400 -0.060 0.000 2.271 258 D HA 0.079 4.719 4.640 -0.001 0.000 0.206 258 D C 0.325 176.587 176.300 -0.063 0.000 0.967 258 D CA 1.159 55.123 54.000 -0.059 0.000 0.867 258 D CB 0.565 41.339 40.800 -0.044 0.000 0.960 258 D HN 0.543 nan 8.370 nan 0.000 0.509 259 E N -0.759 119.405 120.200 -0.060 0.000 2.367 259 E HA 0.207 4.556 4.350 -0.001 0.000 0.273 259 E C -1.943 174.622 176.600 -0.058 0.000 0.903 259 E CA -1.605 54.761 56.400 -0.058 0.000 0.764 259 E CB 2.974 32.649 29.700 -0.041 0.000 1.252 259 E HN -0.179 nan 8.360 nan 0.000 0.446 260 P HA 0.032 nan 4.420 nan 0.000 0.235 260 P C 0.116 177.352 177.300 -0.106 0.000 1.177 260 P CA 0.414 63.475 63.100 -0.064 0.000 0.785 260 P CB 0.477 32.149 31.700 -0.046 0.000 0.885 261 V N 1.124 120.942 119.914 -0.160 0.000 2.313 261 V HA 0.538 4.657 4.120 -0.001 0.000 0.278 261 V C 0.567 176.524 176.094 -0.228 0.000 1.017 261 V CA -1.289 60.849 62.300 -0.272 0.000 0.823 261 V CB 0.693 32.191 31.823 -0.542 0.000 1.010 261 V HN 0.095 nan 8.190 nan 0.000 0.443 262 A N 7.857 130.572 122.820 -0.175 0.000 2.406 262 A HA 0.518 4.838 4.320 -0.001 0.000 0.243 262 A C -1.084 176.389 177.584 -0.185 0.000 1.082 262 A CA -0.883 51.071 52.037 -0.137 0.000 0.786 262 A CB 0.048 18.999 19.000 -0.081 0.000 1.029 262 A HN 0.633 nan 8.150 nan 0.000 0.495 263 P HA -0.186 nan 4.420 nan 0.000 0.214 263 P C 1.530 178.680 177.300 -0.249 0.000 1.163 263 P CA 2.503 65.498 63.100 -0.175 0.000 0.883 263 P CB -0.022 31.595 31.700 -0.139 0.000 0.788 264 A N -0.134 122.511 122.820 -0.292 0.000 1.969 264 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 264 A C 2.367 179.533 177.584 -0.696 0.000 1.169 264 A CA 1.594 53.320 52.037 -0.519 0.000 0.635 264 A CB -1.265 17.426 19.000 -0.516 0.000 0.810 264 A HN 0.222 nan 8.150 nan 0.000 0.445 265 E N -0.350 119.592 120.200 -0.430 0.000 2.047 265 E HA -0.115 4.234 4.350 -0.001 0.000 0.191 265 E C 2.130 178.571 176.600 -0.264 0.000 0.987 265 E CA 1.010 57.241 56.400 -0.282 0.000 0.799 265 E CB -0.440 29.194 29.700 -0.109 0.000 0.752 265 E HN 0.490 nan 8.360 nan 0.000 0.449 266 G N 1.452 110.061 108.800 -0.319 0.000 2.476 266 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.218 266 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.218 266 G C 1.603 176.518 174.900 0.026 0.000 1.164 266 G CA 1.128 46.058 45.100 -0.283 0.000 0.768 266 G HN 0.270 nan 8.290 nan 0.000 0.560 267 I N 1.342 121.842 120.570 -0.118 0.000 2.226 267 I HA -0.147 4.022 4.170 -0.001 0.000 0.245 267 I C 3.285 179.390 176.117 -0.019 0.000 1.100 267 I CA 0.930 62.170 61.300 -0.100 0.000 1.374 267 I CB -0.202 37.629 38.000 -0.283 0.000 1.057 267 I HN 0.248 nan 8.210 nan 0.000 0.413 268 A N 0.991 123.730 122.820 -0.136 0.000 1.877 268 A HA -0.215 4.105 4.320 -0.001 0.000 0.216 268 A C 2.386 180.076 177.584 0.178 0.000 1.186 268 A CA 1.571 53.675 52.037 0.111 0.000 0.620 268 A CB -0.597 18.397 19.000 -0.010 0.000 0.822 268 A HN 0.318 nan 8.150 nan 0.000 0.443 269 R N -0.438 120.147 120.500 0.142 0.000 2.096 269 R HA -0.081 4.258 4.340 -0.001 0.000 0.235 269 R C 2.433 178.851 176.300 0.196 0.000 1.127 269 R CA 1.111 57.331 56.100 0.200 0.000 0.968 269 R CB -0.506 29.962 30.300 0.280 0.000 0.861 269 R HN 0.525 nan 8.270 nan 0.000 0.440 270 A N 0.778 123.721 122.820 0.205 0.000 1.883 270 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 270 A C 2.366 180.010 177.584 0.100 0.000 1.186 270 A CA 1.514 53.626 52.037 0.125 0.000 0.624 270 A CB -0.585 18.482 19.000 0.111 0.000 0.822 270 A HN 0.125 nan 8.150 nan 0.000 0.444 271 V N -0.057 119.941 119.914 0.140 0.000 2.343 271 V HA -0.322 3.797 4.120 -0.001 0.000 0.247 271 V C 2.648 178.786 176.094 0.073 0.000 1.051 271 V CA 2.306 64.672 62.300 0.110 0.000 1.036 271 V CB -0.931 30.989 31.823 0.162 0.000 0.654 271 V HN 0.674 nan 8.190 nan 0.000 0.451 272 Q N 0.189 120.049 119.800 0.099 0.000 2.135 272 Q HA -0.145 4.194 4.340 -0.001 0.000 0.204 272 Q C 2.167 178.201 176.000 0.056 0.000 0.981 272 Q CA 1.778 57.627 55.803 0.076 0.000 0.856 272 Q CB -0.441 28.355 28.738 0.097 0.000 0.902 272 Q HN 0.650 nan 8.270 nan 0.000 0.425 273 A N 0.124 122.980 122.820 0.060 0.000 2.239 273 A HA 0.246 4.566 4.320 -0.001 0.000 0.209 273 A C 1.480 179.076 177.584 0.019 0.000 1.171 273 A CA 0.775 52.834 52.037 0.036 0.000 0.768 273 A CB -0.574 18.441 19.000 0.026 0.000 0.790 273 A HN 0.495 nan 8.150 nan 0.000 0.478 274 G N -1.265 107.548 108.800 0.022 0.000 2.136 274 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.242 274 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.242 274 G C 0.016 174.920 174.900 0.006 0.000 0.989 274 G CA 0.260 45.366 45.100 0.010 0.000 0.682 274 G HN 0.436 nan 8.290 nan 0.000 0.522 275 I N 2.568 123.145 120.570 0.012 0.000 2.441 275 I HA 0.359 4.529 4.170 -0.001 0.000 0.287 275 I C -1.512 174.615 176.117 0.017 0.000 1.049 275 I CA -2.246 59.057 61.300 0.005 0.000 1.381 275 I CB 1.059 39.056 38.000 -0.005 0.000 1.409 275 I HN -0.097 nan 8.210 nan 0.000 0.523 276 P HA 0.132 nan 4.420 nan 0.000 0.276 276 P C 0.825 178.142 177.300 0.028 0.000 1.235 276 P CA -0.238 62.872 63.100 0.017 0.000 0.772 276 P CB 0.785 32.491 31.700 0.010 0.000 0.871 277 L N 2.166 123.416 121.223 0.046 0.000 2.189 277 L HA -0.267 4.073 4.340 -0.001 0.000 0.214 277 L C 2.308 179.201 176.870 0.040 0.000 1.097 277 L CA 1.772 56.647 54.840 0.058 0.000 0.764 277 L CB -0.820 41.291 42.059 0.088 0.000 0.900 277 L HN 0.417 nan 8.230 nan 0.000 0.436 278 A N -0.261 122.580 122.820 0.036 0.000 2.070 278 A HA -0.146 4.173 4.320 -0.001 0.000 0.220 278 A C 2.118 179.721 177.584 0.031 0.000 1.159 278 A CA 1.151 53.211 52.037 0.038 0.000 0.656 278 A CB -0.317 18.706 19.000 0.038 0.000 0.800 278 A HN 0.374 nan 8.150 nan 0.000 0.453 279 R N -0.708 119.800 120.500 0.012 0.000 2.466 279 R HA 0.267 4.607 4.340 -0.001 0.000 0.279 279 R C -1.025 175.253 176.300 -0.037 0.000 0.976 279 R CA 0.069 56.162 56.100 -0.011 0.000 1.081 279 R CB 0.488 30.776 30.300 -0.020 0.000 1.215 279 R HN 0.277 nan 8.270 nan 0.000 0.546 280 V N 0.986 120.884 119.914 -0.027 0.000 2.577 280 V HA 0.307 4.426 4.120 -0.001 0.000 0.303 280 V C 0.162 176.226 176.094 -0.050 0.000 1.042 280 V CA -0.784 61.495 62.300 -0.036 0.000 0.872 280 V CB 1.932 33.754 31.823 -0.002 0.000 0.998 280 V HN 0.227 nan 8.190 nan 0.000 0.423 281 T N 2.282 116.787 114.554 -0.081 0.000 2.926 281 T HA 0.884 5.234 4.350 -0.001 0.000 0.289 281 T C -1.128 173.529 174.700 -0.072 0.000 1.054 281 T CA -0.854 61.200 62.100 -0.075 0.000 1.015 281 T CB 2.174 70.983 68.868 -0.098 0.000 1.167 281 T HN 0.503 nan 8.240 nan 0.000 0.526 282 L N 1.794 122.976 121.223 -0.069 0.000 2.409 282 L HA 0.767 5.107 4.340 -0.001 0.000 0.272 282 L C -0.545 176.300 176.870 -0.042 0.000 0.980 282 L CA -0.030 54.766 54.840 -0.073 0.000 0.826 282 L CB 2.050 44.039 42.059 -0.118 0.000 1.268 282 L HN 1.168 nan 8.230 nan 0.000 0.407 283 S N 1.315 117.005 115.700 -0.017 0.000 2.595 283 S HA 0.587 5.056 4.470 -0.001 0.000 0.281 283 S C 0.476 175.101 174.600 0.042 0.000 1.117 283 S CA 0.057 58.284 58.200 0.046 0.000 0.873 283 S CB 1.558 64.815 63.200 0.095 0.000 1.108 283 S HN 0.790 nan 8.310 nan 0.000 0.477 284 S N 0.160 115.928 115.700 0.113 0.000 2.439 284 S HA 0.104 4.574 4.470 -0.001 0.000 0.224 284 S C 0.648 175.262 174.600 0.023 0.000 1.029 284 S CA 1.089 59.331 58.200 0.070 0.000 0.946 284 S CB -0.786 62.494 63.200 0.133 0.000 0.797 284 S HN 1.074 nan 8.310 nan 0.000 0.504 285 D N 1.195 121.657 120.400 0.103 0.000 3.041 285 D HA -0.100 4.539 4.640 -0.001 0.000 0.220 285 D C 0.352 176.764 176.300 0.187 0.000 1.157 285 D CA 0.987 55.102 54.000 0.192 0.000 0.876 285 D CB -1.726 39.084 40.800 0.018 0.000 1.107 285 D HN 0.702 nan 8.370 nan 0.000 0.422 286 G N 0.166 108.984 108.800 0.030 0.000 2.391 286 G HA2 0.223 4.183 3.960 -0.001 0.000 0.234 286 G HA3 0.223 4.183 3.960 -0.001 0.000 0.234 286 G C 0.868 175.755 174.900 -0.023 0.000 1.284 286 G CA 0.743 45.604 45.100 -0.398 0.000 0.873 286 G HN 0.442 nan 8.290 nan 0.000 0.549 287 N N -1.146 117.480 118.700 -0.124 0.000 2.936 287 N HA -0.145 4.594 4.740 -0.001 0.000 0.236 287 N C 0.998 176.542 175.510 0.057 0.000 0.930 287 N CA 1.811 54.892 53.050 0.052 0.000 0.966 287 N CB -1.279 37.326 38.487 0.197 0.000 1.090 287 N HN 1.046 nan 8.380 nan 0.000 0.592 288 G N -0.836 107.994 108.800 0.050 0.000 2.616 288 G HA2 0.464 4.423 3.960 -0.001 0.000 0.268 288 G HA3 0.464 4.423 3.960 -0.001 0.000 0.268 288 G C -0.078 174.768 174.900 -0.089 0.000 1.213 288 G CA 0.206 45.242 45.100 -0.107 0.000 0.926 288 G HN 0.578 nan 8.290 nan 0.000 0.523 289 S N -0.623 115.009 115.700 -0.113 0.000 2.513 289 S HA 0.472 4.941 4.470 -0.001 0.000 0.276 289 S C -0.108 174.456 174.600 -0.059 0.000 1.254 289 S CA -0.601 57.554 58.200 -0.075 0.000 1.053 289 S CB 1.832 64.989 63.200 -0.072 0.000 0.958 289 S HN 0.658 nan 8.310 nan 0.000 0.491 303 G N 3.360 112.147 108.800 -0.022 0.000 2.714 303 G HA2 0.736 4.696 3.960 -0.001 0.000 0.292 303 G HA3 0.736 4.696 3.960 -0.001 0.000 0.292 303 G C -1.643 173.238 174.900 -0.031 0.000 1.308 303 G CA -0.756 44.331 45.100 -0.023 0.000 0.964 303 G HN 0.443 nan 8.290 nan 0.000 0.484 304 V N 0.101 119.995 119.914 -0.032 0.000 2.513 304 V HA 0.768 4.887 4.120 -0.001 0.000 0.299 304 V C 0.561 176.612 176.094 -0.071 0.000 1.035 304 V CA -0.410 61.864 62.300 -0.044 0.000 0.889 304 V CB 1.054 32.862 31.823 -0.025 0.000 0.988 304 V HN 1.412 nan 8.190 nan 0.000 0.440 305 A N 4.969 127.732 122.820 -0.096 0.000 2.520 305 A HA 0.629 4.948 4.320 -0.001 0.000 0.245 305 A C 0.754 178.170 177.584 -0.280 0.000 1.072 305 A CA 0.619 52.567 52.037 -0.149 0.000 0.761 305 A CB -0.160 18.761 19.000 -0.132 0.000 1.004 305 A HN 1.662 nan 8.150 nan 0.000 0.499 306 G N -0.105 108.529 108.800 -0.277 0.000 2.642 306 G HA2 0.537 4.497 3.960 -0.001 0.000 0.291 306 G HA3 0.537 4.497 3.960 -0.001 0.000 0.291 306 G C -0.242 174.333 174.900 -0.542 0.000 1.345 306 G CA -0.490 44.391 45.100 -0.365 0.000 1.043 306 G HN 0.562 nan 8.290 nan 0.000 0.528 307 F N -0.203 119.783 119.950 0.060 0.000 2.678 307 F HA 0.188 4.714 4.527 -0.001 0.000 0.305 307 F C 2.415 178.256 175.800 0.070 0.000 1.090 307 F CA -0.049 57.994 58.000 0.071 0.000 1.272 307 F CB 0.703 39.757 39.000 0.089 0.000 1.060 307 F HN 0.462 nan 8.300 nan 0.000 0.576 308 E N 0.559 120.857 120.200 0.162 0.000 2.268 308 E HA -0.162 4.187 4.350 -0.001 0.000 0.195 308 E C 1.627 178.278 176.600 0.085 0.000 0.995 308 E CA 1.721 58.196 56.400 0.125 0.000 0.836 308 E CB -1.103 28.647 29.700 0.084 0.000 0.763 308 E HN 0.435 nan 8.360 nan 0.000 0.491 309 T N -0.552 114.033 114.554 0.050 0.000 3.007 309 T HA -0.019 4.330 4.350 -0.001 0.000 0.270 309 T C 2.139 176.837 174.700 -0.003 0.000 1.107 309 T CA 0.753 62.859 62.100 0.010 0.000 1.118 309 T CB -0.402 68.453 68.868 -0.021 0.000 0.889 309 T HN 0.116 nan 8.240 nan 0.000 0.506 310 L N -0.217 121.025 121.223 0.032 0.000 1.988 310 L HA 0.076 4.415 4.340 -0.001 0.000 0.207 310 L C 2.604 179.424 176.870 -0.084 0.000 1.071 310 L CA 0.959 55.765 54.840 -0.057 0.000 0.744 310 L CB -0.771 41.269 42.059 -0.032 0.000 0.893 310 L HN 0.211 nan 8.230 nan 0.000 0.433 311 L N 0.094 121.371 121.223 0.090 0.000 2.083 311 L HA -0.208 4.132 4.340 -0.001 0.000 0.209 311 L C 2.433 179.333 176.870 0.051 0.000 1.083 311 L CA 1.735 56.665 54.840 0.151 0.000 0.752 311 L CB -0.563 41.643 42.059 0.245 0.000 0.899 311 L HN 0.226 nan 8.230 nan 0.000 0.433 312 E N -1.242 118.978 120.200 0.032 0.000 2.085 312 E HA -0.232 4.117 4.350 -0.001 0.000 0.194 312 E C 1.909 178.492 176.600 -0.028 0.000 0.994 312 E CA 1.885 58.291 56.400 0.008 0.000 0.801 312 E CB -0.242 29.461 29.700 0.006 0.000 0.743 312 E HN 0.567 nan 8.360 nan 0.000 0.453 313 T N 0.711 115.224 114.554 -0.069 0.000 2.746 313 T HA -0.133 4.217 4.350 -0.001 0.000 0.267 313 T C 2.112 176.728 174.700 -0.141 0.000 1.039 313 T CA 1.121 63.147 62.100 -0.123 0.000 1.142 313 T CB -0.245 68.526 68.868 -0.163 0.000 0.866 313 T HN -0.016 nan 8.240 nan 0.000 0.444 314 V N 1.721 121.560 119.914 -0.125 0.000 2.295 314 V HA -0.251 3.869 4.120 -0.001 0.000 0.246 314 V C 2.638 178.701 176.094 -0.051 0.000 1.049 314 V CA 1.736 63.974 62.300 -0.103 0.000 1.024 314 V CB -0.782 31.008 31.823 -0.056 0.000 0.648 314 V HN 0.523 nan 8.190 nan 0.000 0.447 315 Q N -0.497 119.295 119.800 -0.014 0.000 2.061 315 Q HA -0.185 4.155 4.340 -0.001 0.000 0.204 315 Q C 2.349 178.359 176.000 0.018 0.000 0.984 315 Q CA 1.975 57.783 55.803 0.008 0.000 0.846 315 Q CB -0.452 28.299 28.738 0.021 0.000 0.902 315 Q HN 0.531 nan 8.270 nan 0.000 0.421 316 V N 1.135 121.057 119.914 0.013 0.000 2.343 316 V HA -0.263 3.857 4.120 -0.001 0.000 0.247 316 V C 2.206 178.379 176.094 0.132 0.000 1.051 316 V CA 1.577 63.918 62.300 0.069 0.000 1.036 316 V CB -0.517 31.340 31.823 0.057 0.000 0.654 316 V HN 0.341 nan 8.190 nan 0.000 0.451 317 L N -0.636 120.574 121.223 -0.021 0.000 2.079 317 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 317 L C 2.374 179.322 176.870 0.130 0.000 1.081 317 L CA 1.184 55.969 54.840 -0.091 0.000 0.752 317 L CB -0.525 41.261 42.059 -0.455 0.000 0.896 317 L HN 0.208 nan 8.230 nan 0.000 0.433 318 V N 0.043 120.008 119.914 0.086 0.000 2.302 318 V HA -0.235 3.885 4.120 -0.001 0.000 0.243 318 V C 2.502 178.660 176.094 0.107 0.000 1.036 318 V CA 1.963 64.330 62.300 0.110 0.000 1.020 318 V CB -0.524 31.324 31.823 0.042 0.000 0.657 318 V HN 0.510 nan 8.190 nan 0.000 0.453 319 K N -0.123 120.325 120.400 0.079 0.000 2.103 319 K HA -0.166 4.154 4.320 -0.001 0.000 0.204 319 K C 1.111 177.742 176.600 0.051 0.000 1.052 319 K CA 2.013 58.334 56.287 0.057 0.000 0.945 319 K CB -0.147 32.375 32.500 0.037 0.000 0.722 319 K HN 0.392 nan 8.250 nan 0.000 0.443 320 D N -0.976 119.471 120.400 0.079 0.000 2.433 320 D HA 0.049 4.688 4.640 -0.001 0.000 0.211 320 D C 0.339 176.539 176.300 -0.166 0.000 1.114 320 D CA 0.206 54.174 54.000 -0.053 0.000 0.837 320 D CB 0.406 41.127 40.800 -0.131 0.000 0.984 320 D HN 0.241 nan 8.370 nan 0.000 0.505 321 Y N 0.611 120.954 120.300 0.071 0.000 2.500 321 Y HA 0.100 4.649 4.550 -0.001 0.000 0.246 321 Y C 0.134 176.166 175.900 0.219 0.000 1.146 321 Y CA -0.357 57.830 58.100 0.145 0.000 1.230 321 Y CB 0.764 39.318 38.460 0.157 0.000 1.214 321 Y HN -0.252 nan 8.280 nan 0.000 0.526 322 D N -0.736 119.827 120.400 0.271 0.000 3.090 322 D HA -0.212 4.428 4.640 -0.001 0.000 0.215 322 D C -0.444 175.984 176.300 0.214 0.000 1.140 322 D CA 0.737 54.851 54.000 0.190 0.000 0.937 322 D CB -1.534 39.324 40.800 0.096 0.000 1.108 322 D HN 0.158 nan 8.370 nan 0.000 0.420 323 F N 1.334 121.330 119.950 0.077 0.000 2.380 323 F HA 0.272 4.798 4.527 -0.001 0.000 0.325 323 F C 1.636 177.448 175.800 0.019 0.000 1.136 323 F CA -0.513 57.512 58.000 0.042 0.000 1.171 323 F CB 0.823 39.834 39.000 0.020 0.000 1.230 323 F HN -0.179 nan 8.300 nan 0.000 0.554 324 S N 2.157 117.933 115.700 0.125 0.000 2.617 324 S HA 0.317 4.786 4.470 -0.001 0.000 0.269 324 S C 1.278 175.925 174.600 0.079 0.000 1.292 324 S CA -0.705 57.544 58.200 0.082 0.000 1.010 324 S CB 0.667 63.903 63.200 0.060 0.000 0.944 324 S HN 0.580 nan 8.310 nan 0.000 0.536 325 I N 1.219 121.762 120.570 -0.046 0.000 2.208 325 I HA -0.207 3.963 4.170 -0.001 0.000 0.245 325 I C 2.695 178.741 176.117 -0.118 0.000 1.097 325 I CA 1.343 62.525 61.300 -0.197 0.000 1.363 325 I CB -0.614 37.014 38.000 -0.619 0.000 1.051 325 I HN 0.717 nan 8.210 nan 0.000 0.413 326 S N 0.359 116.050 115.700 -0.016 0.000 2.359 326 S HA -0.226 4.243 4.470 -0.001 0.000 0.224 326 S C 1.634 176.298 174.600 0.108 0.000 1.035 326 S CA 1.672 59.937 58.200 0.109 0.000 1.018 326 S CB -0.296 63.015 63.200 0.185 0.000 0.876 326 S HN 0.443 nan 8.310 nan 0.000 0.448 327 D N 1.236 121.716 120.400 0.134 0.000 2.144 327 D HA 0.062 4.702 4.640 -0.001 0.000 0.200 327 D C 2.124 178.572 176.300 0.246 0.000 0.978 327 D CA 1.062 55.183 54.000 0.203 0.000 0.833 327 D CB -0.466 40.462 40.800 0.213 0.000 0.961 327 D HN 0.365 nan 8.370 nan 0.000 0.470 328 A N 0.627 123.573 122.820 0.209 0.000 1.940 328 A HA -0.133 4.187 4.320 -0.001 0.000 0.219 328 A C 2.334 179.906 177.584 -0.020 0.000 1.176 328 A CA 0.922 52.986 52.037 0.044 0.000 0.631 328 A CB -0.690 18.310 19.000 0.001 0.000 0.814 328 A HN 0.226 nan 8.150 nan 0.000 0.446 329 L N -1.263 119.974 121.223 0.023 0.000 2.156 329 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 329 L C 2.744 179.635 176.870 0.036 0.000 1.095 329 L CA 0.800 55.663 54.840 0.039 0.000 0.770 329 L CB -0.427 41.688 42.059 0.093 0.000 0.914 329 L HN 0.382 nan 8.230 nan 0.000 0.439 330 R N 0.373 120.904 120.500 0.052 0.000 2.133 330 R HA -0.217 4.123 4.340 -0.001 0.000 0.245 330 R C -0.471 175.842 176.300 0.022 0.000 1.137 330 R CA 1.894 58.025 56.100 0.052 0.000 0.947 330 R CB -1.964 28.377 30.300 0.069 0.000 0.865 330 R HN 0.337 nan 8.270 nan 0.000 0.437 331 P HA -0.133 nan 4.420 nan 0.000 0.223 331 P C 0.949 178.213 177.300 -0.059 0.000 1.144 331 P CA 1.306 64.379 63.100 -0.044 0.000 0.783 331 P CB 0.066 31.718 31.700 -0.080 0.000 0.771 332 L N -2.324 118.851 121.223 -0.079 0.000 2.638 332 L HA 0.123 4.462 4.340 -0.001 0.000 0.232 332 L C 1.719 178.622 176.870 0.055 0.000 1.099 332 L CA 0.844 55.625 54.840 -0.099 0.000 0.883 332 L CB -0.079 41.749 42.059 -0.386 0.000 1.136 332 L HN 0.151 nan 8.230 nan 0.000 0.492 333 T N -5.389 109.213 114.554 0.080 0.000 2.964 333 T HA -0.008 4.342 4.350 -0.001 0.000 0.161 333 T C 1.735 176.491 174.700 0.093 0.000 0.859 333 T CA 0.591 62.767 62.100 0.127 0.000 1.015 333 T CB -0.370 68.597 68.868 0.165 0.000 2.138 333 T HN 0.058 nan 8.240 nan 0.000 0.367 334 S N 1.864 117.615 115.700 0.086 0.000 2.383 334 S HA -0.125 4.344 4.470 -0.001 0.000 0.229 334 S C 2.268 176.908 174.600 0.066 0.000 1.030 334 S CA 1.792 60.035 58.200 0.072 0.000 1.002 334 S CB -1.301 61.941 63.200 0.070 0.000 0.829 334 S HN 0.492 nan 8.310 nan 0.000 0.467 335 S N 1.369 117.106 115.700 0.062 0.000 2.383 335 S HA 0.002 4.471 4.470 -0.001 0.000 0.227 335 S C 1.983 176.638 174.600 0.090 0.000 1.026 335 S CA 1.178 59.417 58.200 0.064 0.000 0.981 335 S CB -0.542 62.681 63.200 0.039 0.000 0.818 335 S HN 0.494 nan 8.310 nan 0.000 0.472 336 V N 2.182 122.142 119.914 0.077 0.000 2.307 336 V HA -0.147 3.973 4.120 -0.001 0.000 0.245 336 V C 2.694 178.844 176.094 0.094 0.000 1.045 336 V CA 1.617 63.977 62.300 0.100 0.000 1.024 336 V CB -1.391 30.478 31.823 0.078 0.000 0.651 336 V HN 0.517 nan 8.190 nan 0.000 0.449 337 A N 0.896 123.750 122.820 0.058 0.000 1.940 337 A HA -0.104 4.216 4.320 -0.001 0.000 0.219 337 A C 2.411 179.999 177.584 0.007 0.000 1.176 337 A CA 2.084 54.128 52.037 0.012 0.000 0.631 337 A CB -1.311 17.703 19.000 0.023 0.000 0.814 337 A HN 0.538 nan 8.150 nan 0.000 0.446 338 G N -1.209 107.620 108.800 0.049 0.000 2.433 338 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.216 338 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.216 338 G C 1.480 176.421 174.900 0.068 0.000 1.186 338 G CA 1.184 46.315 45.100 0.052 0.000 0.779 338 G HN 0.490 nan 8.290 nan 0.000 0.543 339 F N 0.965 120.899 119.950 -0.028 0.000 2.134 339 F HA 0.112 4.639 4.527 -0.001 0.000 0.299 339 F C 2.188 177.957 175.800 -0.053 0.000 1.097 339 F CA 1.154 59.136 58.000 -0.029 0.000 1.264 339 F CB -0.024 38.968 39.000 -0.013 0.000 1.001 339 F HN 0.008 nan 8.300 nan 0.000 0.479 340 L N 0.399 121.557 121.223 -0.109 0.000 2.592 340 L HA 0.038 4.377 4.340 -0.001 0.000 0.227 340 L C 0.025 176.737 176.870 -0.263 0.000 1.127 340 L CA 0.161 54.852 54.840 -0.248 0.000 0.884 340 L CB -0.658 41.303 42.059 -0.163 0.000 1.065 340 L HN 0.179 nan 8.230 nan 0.000 0.457 341 N N 0.641 119.226 118.700 -0.192 0.000 2.740 341 N HA -0.194 4.546 4.740 -0.001 0.000 0.248 341 N C -0.271 175.131 175.510 -0.180 0.000 1.062 341 N CA 0.715 53.670 53.050 -0.158 0.000 0.704 341 N CB -1.780 36.613 38.487 -0.156 0.000 0.968 341 N HN 0.329 nan 8.380 nan 0.000 0.547 342 L N 1.145 122.252 121.223 -0.193 0.000 2.404 342 L HA 0.107 4.446 4.340 -0.001 0.000 0.277 342 L C 1.210 178.024 176.870 -0.093 0.000 1.184 342 L CA -0.291 54.404 54.840 -0.242 0.000 1.013 342 L CB -0.218 41.657 42.059 -0.305 0.000 1.318 342 L HN 0.196 nan 8.230 nan 0.000 0.435 343 T N -1.260 113.260 114.554 -0.056 0.000 2.946 343 T HA 0.272 4.621 4.350 -0.001 0.000 0.311 343 T C 1.327 176.051 174.700 0.040 0.000 1.063 343 T CA 0.337 62.436 62.100 -0.002 0.000 1.139 343 T CB 1.351 70.222 68.868 0.004 0.000 0.994 343 T HN 0.860 nan 8.240 nan 0.000 0.547 344 G N 1.973 110.799 108.800 0.043 0.000 2.176 344 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.253 344 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.253 344 G C 0.105 175.051 174.900 0.075 0.000 0.979 344 G CA 0.275 45.413 45.100 0.062 0.000 0.641 344 G HN 0.873 nan 8.290 nan 0.000 0.530 345 K N -0.580 119.862 120.400 0.070 0.000 2.295 345 K HA 0.708 5.028 4.320 -0.001 0.000 0.239 345 K C 1.237 177.880 176.600 0.072 0.000 0.991 345 K CA -0.115 56.223 56.287 0.086 0.000 0.845 345 K CB 1.003 33.561 32.500 0.097 0.000 1.197 345 K HN 1.194 nan 8.250 nan 0.000 0.441 346 G N 0.512 109.366 108.800 0.090 0.000 2.184 346 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.264 346 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.264 346 G C -0.199 174.754 174.900 0.089 0.000 0.975 346 G CA 0.531 45.687 45.100 0.094 0.000 0.642 346 G HN 0.492 nan 8.290 nan 0.000 0.536 347 E N -1.064 119.183 120.200 0.077 0.000 2.352 347 E HA 0.465 4.815 4.350 -0.001 0.000 0.280 347 E C -0.712 175.925 176.600 0.061 0.000 0.930 347 E CA -0.959 55.484 56.400 0.071 0.000 0.765 347 E CB 1.725 31.460 29.700 0.058 0.000 1.219 347 E HN 0.169 nan 8.360 nan 0.000 0.434 348 I N 3.883 124.489 120.570 0.060 0.000 2.256 348 I HA 0.265 4.434 4.170 -0.001 0.000 0.294 348 I C -0.726 175.412 176.117 0.035 0.000 1.127 348 I CA 0.144 61.472 61.300 0.046 0.000 1.247 348 I CB -0.077 37.952 38.000 0.049 0.000 1.460 348 I HN 0.170 nan 8.210 nan 0.000 0.511 349 L N 7.484 128.725 121.223 0.030 0.000 2.424 349 L HA 0.550 4.889 4.340 -0.001 0.000 0.258 349 L C -2.537 174.345 176.870 0.021 0.000 0.995 349 L CA -1.994 52.860 54.840 0.023 0.000 0.821 349 L CB 2.487 44.561 42.059 0.025 0.000 1.383 349 L HN 0.193 nan 8.230 nan 0.000 0.410 350 P HA 0.159 nan 4.420 nan 0.000 0.265 350 P C 0.733 178.045 177.300 0.020 0.000 1.193 350 P CA 0.769 63.879 63.100 0.016 0.000 0.765 350 P CB 0.860 32.567 31.700 0.011 0.000 0.823 351 G N 1.870 110.684 108.800 0.023 0.000 2.258 351 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.233 351 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.233 351 G C 0.463 175.381 174.900 0.030 0.000 1.006 351 G CA -0.301 44.814 45.100 0.025 0.000 0.620 351 G HN 0.530 nan 8.290 nan 0.000 0.511 352 N N 1.689 120.408 118.700 0.032 0.000 2.424 352 N HA 0.458 5.198 4.740 -0.001 0.000 0.257 352 N C -0.180 175.356 175.510 0.043 0.000 1.250 352 N CA -0.345 52.729 53.050 0.040 0.000 0.946 352 N CB 0.371 38.883 38.487 0.043 0.000 1.175 352 N HN 0.219 nan 8.380 nan 0.000 0.477 353 D N -0.055 120.378 120.400 0.055 0.000 2.372 353 D HA 0.202 4.842 4.640 -0.001 0.000 0.243 353 D C -0.252 176.078 176.300 0.050 0.000 1.121 353 D CA -0.058 53.975 54.000 0.056 0.000 0.898 353 D CB 0.523 41.368 40.800 0.075 0.000 1.202 353 D HN 0.459 nan 8.370 nan 0.000 0.428 354 A N 2.267 125.113 122.820 0.043 0.000 3.056 354 A HA 0.174 4.494 4.320 -0.001 0.000 0.274 354 A C -0.590 177.036 177.584 0.069 0.000 1.661 354 A CA -0.476 51.581 52.037 0.035 0.000 1.363 354 A CB -0.249 18.754 19.000 0.005 0.000 1.139 354 A HN 0.222 nan 8.150 nan 0.000 0.598 355 D N 1.793 122.236 120.400 0.072 0.000 2.454 355 D HA 0.565 5.205 4.640 -0.001 0.000 0.225 355 D C -0.497 175.848 176.300 0.075 0.000 1.081 355 D CA 0.397 54.447 54.000 0.083 0.000 0.864 355 D CB 1.030 41.878 40.800 0.081 0.000 1.040 355 D HN 0.386 nan 8.370 nan 0.000 0.517 356 L N 1.191 122.478 121.223 0.107 0.000 2.393 356 L HA 0.542 4.881 4.340 -0.001 0.000 0.260 356 L C -0.556 176.375 176.870 0.103 0.000 1.002 356 L CA -0.894 54.000 54.840 0.090 0.000 0.818 356 L CB 2.164 44.267 42.059 0.073 0.000 1.369 356 L HN -0.007 nan 8.230 nan 0.000 0.412 357 L N 2.047 123.289 121.223 0.032 0.000 2.334 357 L HA 0.721 5.061 4.340 -0.001 0.000 0.273 357 L C -0.851 176.053 176.870 0.056 0.000 1.013 357 L CA -1.055 53.779 54.840 -0.009 0.000 0.816 357 L CB 2.228 44.194 42.059 -0.154 0.000 1.278 357 L HN 0.243 nan 8.230 nan 0.000 0.431 358 V N 3.522 123.475 119.914 0.066 0.000 2.444 358 V HA 0.519 4.639 4.120 -0.001 0.000 0.294 358 V C 0.014 176.138 176.094 0.049 0.000 1.022 358 V CA -0.294 62.057 62.300 0.085 0.000 0.850 358 V CB 1.717 33.616 31.823 0.126 0.000 0.992 358 V HN 0.722 nan 8.190 nan 0.000 0.426 359 M N 2.901 122.534 119.600 0.055 0.000 2.690 359 M HA 0.519 4.998 4.480 -0.001 0.000 0.302 359 M C 0.240 176.572 176.300 0.054 0.000 1.234 359 M CA -0.617 54.709 55.300 0.043 0.000 0.853 359 M CB 2.736 35.358 32.600 0.035 0.000 1.748 359 M HN 0.729 nan 8.290 nan 0.000 0.469 360 T N -2.277 112.303 114.554 0.044 0.000 2.828 360 T HA 0.312 4.661 4.350 -0.001 0.000 0.290 360 T C -2.115 172.613 174.700 0.045 0.000 1.019 360 T CA -1.429 60.699 62.100 0.045 0.000 1.031 360 T CB 0.459 69.349 68.868 0.037 0.000 1.001 360 T HN 0.385 nan 8.240 nan 0.000 0.531 361 P HA 0.006 nan 4.420 nan 0.000 0.225 361 P C 0.454 177.771 177.300 0.028 0.000 1.148 361 P CA 0.873 64.001 63.100 0.047 0.000 0.779 361 P CB -0.094 31.642 31.700 0.059 0.000 0.780 362 E N -0.292 119.924 120.200 0.028 0.000 2.403 362 E HA 0.210 4.560 4.350 -0.001 0.000 0.188 362 E C 0.331 176.944 176.600 0.022 0.000 1.056 362 E CA -0.146 56.268 56.400 0.023 0.000 0.892 362 E CB -0.641 29.074 29.700 0.024 0.000 1.049 362 E HN 0.048 nan 8.360 nan 0.000 0.465 363 L N 0.350 121.585 121.223 0.020 0.000 3.608 363 L HA -0.278 4.062 4.340 -0.001 0.000 0.422 363 L C 0.186 177.080 176.870 0.039 0.000 1.260 363 L CA 0.263 55.119 54.840 0.026 0.000 0.889 363 L CB -1.472 40.600 42.059 0.021 0.000 1.821 363 L HN 0.278 nan 8.230 nan 0.000 0.884 364 R N 0.957 121.477 120.500 0.034 0.000 2.445 364 R HA 0.652 4.992 4.340 -0.001 0.000 0.308 364 R C 0.098 176.413 176.300 0.026 0.000 0.961 364 R CA -0.853 55.267 56.100 0.033 0.000 0.862 364 R CB 1.257 31.575 30.300 0.029 0.000 1.144 364 R HN 0.216 nan 8.270 nan 0.000 0.447 365 I N 4.110 124.692 120.570 0.018 0.000 2.556 365 I HA -0.030 4.139 4.170 -0.001 0.000 0.284 365 I C 0.970 177.086 176.117 -0.001 0.000 1.114 365 I CA 0.593 61.892 61.300 -0.003 0.000 1.418 365 I CB 1.224 39.208 38.000 -0.027 0.000 1.394 365 I HN 0.746 nan 8.210 nan 0.000 0.552 366 E N 3.876 124.077 120.200 0.001 0.000 2.288 366 E HA 0.124 4.474 4.350 -0.001 0.000 0.200 366 E C -0.237 176.352 176.600 -0.019 0.000 0.880 366 E CA 0.185 56.586 56.400 0.001 0.000 0.971 366 E CB 0.524 30.236 29.700 0.020 0.000 0.954 366 E HN 0.614 nan 8.360 nan 0.000 0.489 367 Q N 0.520 120.309 119.800 -0.018 0.000 2.423 367 Q HA 0.605 4.944 4.340 -0.001 0.000 0.278 367 Q C -1.323 174.623 176.000 -0.090 0.000 1.097 367 Q CA -0.760 54.998 55.803 -0.074 0.000 0.809 367 Q CB 3.498 32.212 28.738 -0.039 0.000 1.391 367 Q HN -0.116 nan 8.270 nan 0.000 0.428 368 V N 1.588 121.369 119.914 -0.221 0.000 2.686 368 V HA 0.421 4.541 4.120 -0.001 0.000 0.306 368 V C -1.682 174.210 176.094 -0.336 0.000 1.065 368 V CA -0.802 61.399 62.300 -0.164 0.000 0.894 368 V CB 1.409 33.151 31.823 -0.136 0.000 1.004 368 V HN 0.642 nan 8.190 nan 0.000 0.424 369 Y N 2.321 122.598 120.300 -0.038 0.000 2.364 369 Y HA 0.781 5.331 4.550 -0.000 0.000 0.340 369 Y C 0.342 176.227 175.900 -0.025 0.000 0.975 369 Y CA -0.618 57.467 58.100 -0.024 0.000 1.089 369 Y CB 2.228 40.681 38.460 -0.011 0.000 1.192 369 Y HN 0.731 nan 8.280 nan 0.000 0.454 370 A N 3.604 126.480 122.820 0.092 0.000 2.311 370 A HA 0.660 4.980 4.320 -0.001 0.000 0.306 370 A C 0.064 177.685 177.584 0.061 0.000 1.189 370 A CA -1.010 51.059 52.037 0.054 0.000 0.791 370 A CB 0.431 19.430 19.000 -0.001 0.000 1.172 370 A HN 0.966 nan 8.150 nan 0.000 0.481 371 R N 1.652 122.190 120.500 0.064 0.000 3.416 371 R HA -0.248 4.091 4.340 -0.001 0.000 0.263 371 R C 1.124 177.463 176.300 0.064 0.000 1.053 371 R CA 1.052 57.182 56.100 0.050 0.000 0.705 371 R CB -1.995 28.318 30.300 0.022 0.000 1.124 371 R HN 2.410 nan 8.270 nan 0.000 0.444 372 G N 0.059 108.924 108.800 0.109 0.000 2.184 372 G HA2 -0.409 3.551 3.960 -0.001 0.000 0.264 372 G HA3 -0.409 3.551 3.960 -0.001 0.000 0.264 372 G C 0.036 175.067 174.900 0.218 0.000 0.975 372 G CA 0.849 46.029 45.100 0.134 0.000 0.642 372 G HN 0.490 nan 8.290 nan 0.000 0.536 373 K N 0.286 120.785 120.400 0.166 0.000 2.185 373 K HA 0.642 4.962 4.320 -0.001 0.000 0.269 373 K C 0.169 176.764 176.600 -0.009 0.000 0.987 373 K CA -1.186 55.157 56.287 0.093 0.000 0.865 373 K CB 0.882 33.394 32.500 0.019 0.000 1.090 373 K HN 0.137 nan 8.250 nan 0.000 0.450 374 L N 5.924 127.081 121.223 -0.109 0.000 2.530 374 L HA 0.033 4.372 4.340 -0.001 0.000 0.273 374 L C 0.505 177.218 176.870 -0.262 0.000 1.141 374 L CA 0.594 55.185 54.840 -0.414 0.000 0.905 374 L CB 0.420 42.297 42.059 -0.303 0.000 1.202 374 L HN 0.876 nan 8.230 nan 0.000 0.473 375 M N 4.399 123.829 119.600 -0.283 0.000 2.514 375 M HA 0.272 4.752 4.480 -0.001 0.000 0.258 375 M C -0.166 176.042 176.300 -0.152 0.000 1.159 375 M CA 0.459 55.657 55.300 -0.170 0.000 1.116 375 M CB 0.071 32.590 32.600 -0.134 0.000 1.333 375 M HN 0.304 nan 8.290 nan 0.000 0.487 376 V N 0.757 120.556 119.914 -0.191 0.000 2.733 376 V HA 0.464 4.584 4.120 -0.001 0.000 0.306 376 V C -0.630 175.374 176.094 -0.149 0.000 1.084 376 V CA -1.073 61.144 62.300 -0.138 0.000 0.905 376 V CB 3.189 34.944 31.823 -0.114 0.000 1.010 376 V HN 0.136 nan 8.190 nan 0.000 0.424 377 K N 2.497 122.838 120.400 -0.097 0.000 2.482 377 K HA 0.413 4.733 4.320 -0.001 0.000 0.251 377 K C -0.709 175.866 176.600 -0.042 0.000 0.936 377 K CA -0.485 55.756 56.287 -0.076 0.000 0.791 377 K CB 1.504 33.963 32.500 -0.069 0.000 1.213 377 K HN 0.795 nan 8.250 nan 0.000 0.428 378 D N 2.764 123.149 120.400 -0.026 0.000 2.837 378 D HA -0.187 4.452 4.640 -0.001 0.000 0.230 378 D C 0.576 176.869 176.300 -0.012 0.000 1.152 378 D CA 1.649 55.642 54.000 -0.011 0.000 0.736 378 D CB -1.029 39.767 40.800 -0.007 0.000 1.084 378 D HN 1.107 nan 8.370 nan 0.000 0.429 379 G N -0.372 108.416 108.800 -0.019 0.000 2.168 379 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.263 379 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.263 379 G C 0.218 175.108 174.900 -0.016 0.000 0.977 379 G CA 1.072 46.163 45.100 -0.015 0.000 0.659 379 G HN 0.487 nan 8.290 nan 0.000 0.533 380 K N 0.022 120.408 120.400 -0.024 0.000 2.378 380 K HA 0.718 5.038 4.320 -0.001 0.000 0.252 380 K C 0.310 176.887 176.600 -0.038 0.000 0.931 380 K CA -0.277 55.997 56.287 -0.022 0.000 0.794 380 K CB 2.095 34.587 32.500 -0.014 0.000 1.181 380 K HN 0.551 nan 8.250 nan 0.000 0.425 381 A N 1.254 124.053 122.820 -0.036 0.000 2.524 381 A HA 0.051 4.371 4.320 -0.001 0.000 0.250 381 A C 0.976 178.532 177.584 -0.047 0.000 1.078 381 A CA -0.263 51.746 52.037 -0.047 0.000 0.761 381 A CB -0.592 18.386 19.000 -0.038 0.000 1.012 381 A HN 1.066 nan 8.150 nan 0.000 0.500 382 C N 1.090 120.353 119.300 -0.061 0.000 3.070 382 C HA 0.523 4.982 4.460 -0.001 0.000 0.280 382 C C 0.328 175.284 174.990 -0.056 0.000 1.264 382 C CA -0.371 58.614 59.018 -0.056 0.000 1.690 382 C CB -1.472 26.231 27.740 -0.062 0.000 2.049 382 C HN 0.456 nan 8.230 nan 0.000 0.636 383 V N 1.910 121.786 119.914 -0.063 0.000 2.444 383 V HA 0.478 4.598 4.120 -0.001 0.000 0.294 383 V C -0.522 175.538 176.094 -0.057 0.000 1.022 383 V CA -0.057 62.206 62.300 -0.062 0.000 0.850 383 V CB 1.642 33.423 31.823 -0.069 0.000 0.992 383 V HN 0.357 nan 8.190 nan 0.000 0.426 384 K N 2.061 122.428 120.400 -0.055 0.000 2.295 384 K HA 0.733 5.052 4.320 -0.001 0.000 0.239 384 K C 0.467 177.030 176.600 -0.060 0.000 0.991 384 K CA -0.473 55.785 56.287 -0.047 0.000 0.845 384 K CB 1.875 34.353 32.500 -0.036 0.000 1.197 384 K HN 0.851 nan 8.250 nan 0.000 0.441 385 G N 0.015 108.788 108.800 -0.046 0.000 2.559 385 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.235 385 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.235 385 G C 0.613 175.448 174.900 -0.109 0.000 1.266 385 G CA -0.189 44.877 45.100 -0.057 0.000 0.847 385 G HN 0.629 nan 8.290 nan 0.000 0.583 386 T N 1.149 115.582 114.554 -0.201 0.000 2.778 386 T HA -0.174 4.175 4.350 -0.001 0.000 0.269 386 T C 1.323 175.668 174.700 -0.591 0.000 1.050 386 T CA 1.567 63.404 62.100 -0.440 0.000 1.137 386 T CB -0.223 68.247 68.868 -0.662 0.000 0.860 386 T HN 0.442 nan 8.240 nan 0.000 0.468 387 F N 0.614 120.560 119.950 -0.007 0.000 2.654 387 F HA 0.299 4.825 4.527 -0.001 0.000 0.303 387 F C 0.748 176.547 175.800 -0.001 0.000 1.099 387 F CA -0.707 57.290 58.000 -0.004 0.000 1.270 387 F CB 0.381 39.380 39.000 -0.003 0.000 1.024 387 F HN 0.012 nan 8.300 nan 0.000 0.548 388 E N 1.425 121.683 120.200 0.096 0.000 2.360 388 E HA 0.205 4.554 4.350 -0.001 0.000 0.269 388 E C 0.286 176.922 176.600 0.060 0.000 1.022 388 E CA 0.100 56.542 56.400 0.069 0.000 0.887 388 E CB 0.985 30.703 29.700 0.030 0.000 0.990 388 E HN 0.148 nan 8.360 nan 0.000 0.426 389 T N 0.000 114.589 114.554 0.058 0.000 3.816 389 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 389 T CA 0.000 62.128 62.100 0.046 0.000 1.349 389 T CB 0.000 68.900 68.868 0.053 0.000 0.612 389 T HN 0.000 nan 8.240 nan 0.000 0.658