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 2cll_1_B DATA FIRST_RESID 2 DATA SEQUENCE TTLLNPYFGE FGGMYVPQIL MPALNQLEEA FVSAQKDPEF QAQFADLLKN DATA SEQUENCE YAGRPTALTK CQNITAGTRT TLYLKREDLL HGGAHKTNQV LGQALLAKRM DATA SEQUENCE GKSEIIAETG AGQHGVASAL ASALLGLKCR IYMGAKDVER QSPNVFRMRL DATA SEQUENCE MGAEVIPVHS GSATLKDACN EALRDWSGSY ETAHYMLGTA AGPHPYPTIV DATA SEQUENCE REFQRMIGEE TKAQILDKEG RLPDAVIACV GGGSNAIGMF ADFINDTSVG DATA SEQUENCE LIGVEPGGHG IETGEHGAPL KHGRVGIYFG MKAPMMQTAD GQIEESYSIS DATA SEQUENCE AGLDFPSVGP QHAYLNSIGR ADYVSITDDE ALEAFKTLCR HEGIIPALES DATA SEQUENCE SHALAHALKM MREQPEKEQL LVVNLSGRGD KDIFTVHDIL KARG 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.686 174.700 -0.024 0.000 1.109 2 T CA 0.000 62.081 62.100 -0.032 0.000 1.349 2 T CB 0.000 68.851 68.868 -0.029 0.000 0.612 3 T N -0.001 114.540 114.554 -0.023 0.000 2.865 3 T HA 0.662 5.012 4.350 -0.000 0.000 0.294 3 T C 0.993 175.695 174.700 0.003 0.000 1.119 3 T CA -1.138 60.964 62.100 0.004 0.000 1.007 3 T CB 1.356 70.236 68.868 0.020 0.000 1.225 3 T HN 0.578 nan 8.240 nan 0.000 0.515 4 L N -0.348 120.894 121.223 0.032 0.000 2.209 4 L HA 0.340 4.679 4.340 -0.000 0.000 0.207 4 L C 0.392 177.275 176.870 0.021 0.000 1.094 4 L CA 0.666 55.518 54.840 0.020 0.000 0.790 4 L CB -0.273 41.800 42.059 0.024 0.000 0.932 4 L HN 0.405 nan 8.230 nan 0.000 0.447 5 L N -1.107 120.151 121.223 0.059 0.000 2.301 5 L HA 0.357 4.697 4.340 -0.000 0.000 0.264 5 L C -0.212 176.567 176.870 -0.151 0.000 1.016 5 L CA -0.917 53.937 54.840 0.023 0.000 0.821 5 L CB 1.237 43.394 42.059 0.164 0.000 1.346 5 L HN -0.106 nan 8.230 nan 0.000 0.429 6 N N 1.682 120.249 118.700 -0.221 0.000 2.452 6 N HA 0.138 4.877 4.740 -0.000 0.000 0.266 6 N C -2.018 173.099 175.510 -0.654 0.000 1.175 6 N CA -1.428 51.417 53.050 -0.342 0.000 0.945 6 N CB 1.343 39.658 38.487 -0.287 0.000 1.063 6 N HN 0.277 nan 8.380 nan 0.000 0.472 7 P HA 0.074 nan 4.420 nan 0.000 0.241 7 P C -0.780 176.106 177.300 -0.689 0.000 1.191 7 P CA 0.792 63.301 63.100 -0.985 0.000 0.771 7 P CB 0.067 31.348 31.700 -0.699 0.000 0.929 8 Y N -1.227 118.789 120.300 -0.473 0.000 2.468 8 Y HA 0.495 5.045 4.550 -0.000 0.000 0.342 8 Y C -0.005 175.529 175.900 -0.611 0.000 1.021 8 Y CA -0.923 56.971 58.100 -0.344 0.000 1.079 8 Y CB 1.220 39.559 38.460 -0.202 0.000 1.226 8 Y HN -0.299 nan 8.280 nan 0.000 0.460 9 F N 2.116 122.088 119.950 0.036 0.000 2.359 9 F HA 0.516 5.043 4.527 -0.000 0.000 0.370 9 F C 0.849 176.493 175.800 -0.260 0.000 1.077 9 F CA -0.385 57.447 58.000 -0.279 0.000 1.136 9 F CB 0.769 39.747 39.000 -0.036 0.000 1.387 9 F HN 0.783 nan 8.300 nan 0.000 0.468 10 G N 2.701 111.299 108.800 -0.336 0.000 2.556 10 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.283 10 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.283 10 G C 1.209 176.096 174.900 -0.021 0.000 1.177 10 G CA 0.504 45.588 45.100 -0.026 0.000 0.978 10 G HN 0.666 nan 8.290 nan 0.000 0.554 11 E N 0.214 120.305 120.200 -0.181 0.000 2.427 11 E HA 0.210 4.560 4.350 -0.000 0.000 0.196 11 E C 0.355 176.857 176.600 -0.162 0.000 1.028 11 E CA 0.360 56.550 56.400 -0.350 0.000 0.864 11 E CB -0.028 29.324 29.700 -0.580 0.000 0.813 11 E HN 0.369 nan 8.360 nan 0.000 0.514 12 F N 0.938 121.122 119.950 0.389 0.000 2.399 12 F HA 0.584 5.111 4.527 -0.000 0.000 0.334 12 F C 1.261 177.272 175.800 0.352 0.000 1.097 12 F CA 0.362 58.586 58.000 0.373 0.000 1.076 12 F CB 1.788 40.965 39.000 0.294 0.000 1.162 12 F HN 0.139 nan 8.300 nan 0.000 0.495 13 G N 0.437 109.459 108.800 0.370 0.000 2.317 13 G HA2 0.457 4.417 3.960 -0.000 0.000 0.196 13 G HA3 0.457 4.417 3.960 -0.000 0.000 0.196 13 G C -0.154 174.573 174.900 -0.289 0.000 1.255 13 G CA -0.052 45.071 45.100 0.039 0.000 1.243 13 G HN 1.875 nan 8.290 nan 0.000 0.535 14 G N -1.336 106.942 108.800 -0.869 0.000 2.660 14 G HA2 0.342 4.302 3.960 -0.000 0.000 0.247 14 G HA3 0.342 4.302 3.960 -0.000 0.000 0.247 14 G C -0.127 174.611 174.900 -0.270 0.000 1.328 14 G CA 0.439 45.068 45.100 -0.785 0.000 0.884 14 G HN 1.603 nan 8.290 nan 0.000 0.531 15 M N 0.292 119.694 119.600 -0.331 0.000 2.389 15 M HA 0.323 4.803 4.480 -0.000 0.000 0.206 15 M C -1.067 175.100 176.300 -0.222 0.000 0.976 15 M CA -0.096 55.104 55.300 -0.168 0.000 0.648 15 M CB 1.224 33.750 32.600 -0.122 0.000 1.474 15 M HN 0.414 nan 8.290 nan 0.000 0.398 16 Y N 1.746 122.037 120.300 -0.014 0.000 2.667 16 Y HA 0.376 4.926 4.550 -0.000 0.000 0.340 16 Y C 0.381 176.277 175.900 -0.006 0.000 1.303 16 Y CA -0.676 57.428 58.100 0.007 0.000 1.769 16 Y CB -0.059 38.420 38.460 0.030 0.000 1.804 16 Y HN 0.317 nan 8.280 nan 0.000 0.451 17 V N -1.297 118.656 119.914 0.065 0.000 3.001 17 V HA 0.731 4.850 4.120 -0.000 0.000 0.314 17 V C -2.610 173.491 176.094 0.012 0.000 1.099 17 V CA -3.388 58.937 62.300 0.040 0.000 0.989 17 V CB 1.617 33.451 31.823 0.019 0.000 1.040 17 V HN 0.089 nan 8.190 nan 0.000 0.434 18 P HA 0.107 nan 4.420 nan 0.000 0.266 18 P C 0.486 177.753 177.300 -0.055 0.000 1.193 18 P CA 0.221 63.314 63.100 -0.013 0.000 0.770 18 P CB 0.500 32.192 31.700 -0.013 0.000 0.836 19 Q N 2.297 122.066 119.800 -0.051 0.000 2.152 19 Q HA -0.202 4.138 4.340 -0.000 0.000 0.206 19 Q C 1.593 177.518 176.000 -0.125 0.000 0.985 19 Q CA 1.614 57.372 55.803 -0.075 0.000 0.863 19 Q CB -0.912 27.794 28.738 -0.052 0.000 0.904 19 Q HN 0.463 nan 8.270 nan 0.000 0.422 20 I N -0.612 119.880 120.570 -0.129 0.000 2.454 20 I HA -0.182 3.988 4.170 -0.000 0.000 0.254 20 I C 1.482 177.360 176.117 -0.399 0.000 1.156 20 I CA 1.233 62.413 61.300 -0.199 0.000 1.433 20 I CB 0.008 37.937 38.000 -0.118 0.000 1.082 20 I HN 0.289 nan 8.210 nan 0.000 0.432 21 L N -0.688 120.331 121.223 -0.340 0.000 2.558 21 L HA 0.004 4.344 4.340 -0.000 0.000 0.225 21 L C 2.101 178.739 176.870 -0.386 0.000 1.128 21 L CA -0.070 54.490 54.840 -0.467 0.000 0.868 21 L CB -0.251 41.639 42.059 -0.282 0.000 1.006 21 L HN 0.204 nan 8.230 nan 0.000 0.454 22 M N -0.043 119.400 119.600 -0.262 0.000 2.159 22 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 22 M C -0.236 175.943 176.300 -0.202 0.000 1.063 22 M CA 1.867 57.057 55.300 -0.183 0.000 1.110 22 M CB -2.019 30.503 32.600 -0.130 0.000 1.374 22 M HN 0.021 nan 8.290 nan 0.000 0.411 23 P HA -0.064 nan 4.420 nan 0.000 0.217 23 P C 1.323 178.498 177.300 -0.208 0.000 1.150 23 P CA 1.840 64.816 63.100 -0.207 0.000 0.832 23 P CB -0.143 31.427 31.700 -0.216 0.000 0.787 24 A N -0.658 121.932 122.820 -0.384 0.000 1.902 24 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 24 A C 2.148 179.683 177.584 -0.082 0.000 1.181 24 A CA 1.397 53.247 52.037 -0.311 0.000 0.623 24 A CB -1.613 16.873 19.000 -0.857 0.000 0.818 24 A HN 0.118 nan 8.150 nan 0.000 0.443 25 L N -0.698 120.471 121.223 -0.091 0.000 2.093 25 L HA -0.178 4.161 4.340 -0.000 0.000 0.208 25 L C 2.250 179.098 176.870 -0.038 0.000 1.085 25 L CA 1.520 56.365 54.840 0.009 0.000 0.755 25 L CB -0.636 41.429 42.059 0.010 0.000 0.904 25 L HN 0.482 nan 8.230 nan 0.000 0.435 26 N N -0.596 118.075 118.700 -0.048 0.000 2.188 26 N HA -0.230 4.510 4.740 -0.000 0.000 0.184 26 N C 1.883 177.380 175.510 -0.021 0.000 1.018 26 N CA 0.749 53.779 53.050 -0.034 0.000 0.858 26 N CB -0.029 38.435 38.487 -0.038 0.000 0.989 26 N HN 0.362 nan 8.380 nan 0.000 0.426 27 Q N 0.908 120.702 119.800 -0.009 0.000 2.050 27 Q HA -0.171 4.168 4.340 -0.000 0.000 0.202 27 Q C 2.131 178.146 176.000 0.025 0.000 0.980 27 Q CA 1.145 56.959 55.803 0.018 0.000 0.840 27 Q CB -0.071 28.697 28.738 0.049 0.000 0.898 27 Q HN 0.300 nan 8.270 nan 0.000 0.424 28 L N 1.338 122.585 121.223 0.041 0.000 2.046 28 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 28 L C 2.245 179.080 176.870 -0.057 0.000 1.077 28 L CA 2.273 57.119 54.840 0.009 0.000 0.747 28 L CB -0.672 41.402 42.059 0.026 0.000 0.896 28 L HN 0.368 nan 8.230 nan 0.000 0.432 29 E N -0.632 119.513 120.200 -0.091 0.000 2.077 29 E HA -0.298 4.052 4.350 -0.000 0.000 0.193 29 E C 2.114 178.725 176.600 0.017 0.000 0.989 29 E CA 1.493 57.847 56.400 -0.076 0.000 0.800 29 E CB -0.148 29.498 29.700 -0.090 0.000 0.746 29 E HN 0.691 nan 8.360 nan 0.000 0.452 30 E N -0.285 119.912 120.200 -0.005 0.000 2.077 30 E HA -0.193 4.156 4.350 -0.000 0.000 0.193 30 E C 1.928 178.507 176.600 -0.034 0.000 0.989 30 E CA 0.965 57.355 56.400 -0.015 0.000 0.800 30 E CB -0.110 29.581 29.700 -0.015 0.000 0.746 30 E HN 0.349 nan 8.360 nan 0.000 0.452 31 A N 0.495 123.301 122.820 -0.024 0.000 1.933 31 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 31 A C 1.955 179.479 177.584 -0.100 0.000 1.175 31 A CA 1.226 53.231 52.037 -0.054 0.000 0.628 31 A CB -0.765 18.218 19.000 -0.028 0.000 0.814 31 A HN 0.483 nan 8.150 nan 0.000 0.444 32 F N 0.769 120.596 119.950 -0.205 0.000 2.113 32 F HA -0.125 4.402 4.527 -0.000 0.000 0.297 32 F C 2.187 177.856 175.800 -0.219 0.000 1.103 32 F CA 1.870 59.721 58.000 -0.248 0.000 1.248 32 F CB -0.454 38.380 39.000 -0.276 0.000 0.999 32 F HN 0.015 nan 8.300 nan 0.000 0.475 33 V N 0.582 120.313 119.914 -0.304 0.000 2.343 33 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 33 V C 2.714 178.615 176.094 -0.321 0.000 1.051 33 V CA 2.091 64.180 62.300 -0.351 0.000 1.036 33 V CB -1.233 30.515 31.823 -0.126 0.000 0.654 33 V HN 0.602 nan 8.190 nan 0.000 0.451 34 S N 1.049 116.605 115.700 -0.240 0.000 2.368 34 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 34 S C 2.141 176.576 174.600 -0.275 0.000 1.029 34 S CA 1.241 59.321 58.200 -0.200 0.000 0.988 34 S CB -0.571 62.549 63.200 -0.134 0.000 0.838 34 S HN 0.560 nan 8.310 nan 0.000 0.462 35 A N 1.736 124.297 122.820 -0.432 0.000 1.940 35 A HA -0.110 4.209 4.320 -0.000 0.000 0.219 35 A C 2.356 179.628 177.584 -0.521 0.000 1.176 35 A CA 1.530 53.141 52.037 -0.711 0.000 0.631 35 A CB -0.742 17.433 19.000 -1.376 0.000 0.814 35 A HN 0.524 nan 8.150 nan 0.000 0.446 36 Q N -1.068 118.423 119.800 -0.514 0.000 2.364 36 Q HA -0.111 4.229 4.340 -0.000 0.000 0.207 36 Q C 1.949 177.853 176.000 -0.159 0.000 0.970 36 Q CA 1.839 57.443 55.803 -0.332 0.000 0.888 36 Q CB -0.346 28.060 28.738 -0.552 0.000 0.951 36 Q HN 0.800 nan 8.270 nan 0.000 0.469 37 K N 0.835 121.137 120.400 -0.162 0.000 2.358 37 K HA 0.022 4.342 4.320 -0.000 0.000 0.197 37 K C -0.014 176.564 176.600 -0.038 0.000 1.025 37 K CA 0.342 56.579 56.287 -0.083 0.000 1.104 37 K CB 0.290 32.737 32.500 -0.089 0.000 0.855 37 K HN 0.018 nan 8.250 nan 0.000 0.531 38 D N 0.970 121.354 120.400 -0.026 0.000 2.396 38 D HA 0.170 4.810 4.640 -0.000 0.000 0.225 38 D C -1.617 174.745 176.300 0.103 0.000 1.121 38 D CA -2.506 51.514 54.000 0.034 0.000 0.853 38 D CB 1.944 42.766 40.800 0.037 0.000 1.043 38 D HN 0.017 nan 8.370 nan 0.000 0.500 39 P HA -0.183 nan 4.420 nan 0.000 0.219 39 P C 1.074 178.427 177.300 0.088 0.000 1.146 39 P CA 0.891 64.036 63.100 0.076 0.000 0.808 39 P CB 0.500 32.226 31.700 0.043 0.000 0.779 40 E N -0.903 119.352 120.200 0.091 0.000 2.107 40 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 40 E C 1.910 178.573 176.600 0.105 0.000 0.982 40 E CA 0.515 56.961 56.400 0.077 0.000 0.809 40 E CB -0.505 29.235 29.700 0.065 0.000 0.756 40 E HN 0.111 nan 8.360 nan 0.000 0.459 41 F N 1.538 121.495 119.950 0.012 0.000 2.113 41 F HA -0.165 4.362 4.527 -0.000 0.000 0.297 41 F C 2.327 178.166 175.800 0.065 0.000 1.103 41 F CA 1.325 59.335 58.000 0.016 0.000 1.248 41 F CB -0.042 38.958 39.000 -0.000 0.000 0.999 41 F HN 0.002 nan 8.300 nan 0.000 0.475 42 Q N 0.657 120.649 119.800 0.321 0.000 2.124 42 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 42 Q C 2.488 178.541 176.000 0.087 0.000 0.977 42 Q CA 1.504 57.459 55.803 0.253 0.000 0.850 42 Q CB -1.165 27.704 28.738 0.218 0.000 0.901 42 Q HN 0.555 nan 8.270 nan 0.000 0.429 43 A N 0.746 123.593 122.820 0.045 0.000 1.898 43 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 43 A C 2.114 179.676 177.584 -0.037 0.000 1.181 43 A CA 1.651 53.688 52.037 0.000 0.000 0.620 43 A CB -0.529 18.473 19.000 0.004 0.000 0.819 43 A HN 0.419 nan 8.150 nan 0.000 0.442 44 Q N -1.784 117.971 119.800 -0.075 0.000 2.079 44 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 44 Q C 1.873 177.811 176.000 -0.103 0.000 0.974 44 Q CA 1.721 57.452 55.803 -0.119 0.000 0.840 44 Q CB -0.283 28.339 28.738 -0.192 0.000 0.898 44 Q HN 0.586 nan 8.270 nan 0.000 0.430 45 F N 0.787 120.508 119.950 -0.382 0.000 2.102 45 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 45 F C 2.014 177.705 175.800 -0.181 0.000 1.105 45 F CA 1.346 59.129 58.000 -0.362 0.000 1.239 45 F CB -0.978 37.745 39.000 -0.462 0.000 0.991 45 F HN 0.161 nan 8.300 nan 0.000 0.474 46 A N -0.275 122.457 122.820 -0.147 0.000 1.902 46 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 46 A C 2.245 179.757 177.584 -0.119 0.000 1.181 46 A CA 1.817 53.734 52.037 -0.200 0.000 0.623 46 A CB -1.190 17.739 19.000 -0.118 0.000 0.818 46 A HN 0.506 nan 8.150 nan 0.000 0.443 47 D N -0.029 120.329 120.400 -0.071 0.000 2.117 47 D HA -0.130 4.509 4.640 -0.000 0.000 0.197 47 D C 1.959 178.246 176.300 -0.021 0.000 0.987 47 D CA 1.321 55.295 54.000 -0.043 0.000 0.829 47 D CB -0.057 40.719 40.800 -0.039 0.000 0.961 47 D HN 0.456 nan 8.370 nan 0.000 0.460 48 L N 0.364 121.580 121.223 -0.012 0.000 2.056 48 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 48 L C 2.812 179.734 176.870 0.087 0.000 1.078 48 L CA 0.528 55.398 54.840 0.050 0.000 0.749 48 L CB -0.352 41.734 42.059 0.046 0.000 0.901 48 L HN 0.086 nan 8.230 nan 0.000 0.433 49 L N -0.168 121.045 121.223 -0.017 0.000 2.042 49 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 49 L C 2.710 179.562 176.870 -0.030 0.000 1.076 49 L CA 1.529 56.337 54.840 -0.053 0.000 0.749 49 L CB -0.479 41.438 42.059 -0.238 0.000 0.893 49 L HN 0.268 nan 8.230 nan 0.000 0.432 50 K N -0.058 120.316 120.400 -0.044 0.000 2.005 50 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 50 K C 1.769 178.360 176.600 -0.015 0.000 1.044 50 K CA 1.349 57.616 56.287 -0.034 0.000 0.942 50 K CB 0.086 32.561 32.500 -0.042 0.000 0.727 50 K HN 0.255 nan 8.250 nan 0.000 0.439 51 N N -0.660 118.044 118.700 0.006 0.000 2.424 51 N HA -0.084 4.656 4.740 -0.000 0.000 0.178 51 N C 1.135 176.673 175.510 0.047 0.000 1.060 51 N CA 0.647 53.706 53.050 0.015 0.000 0.901 51 N CB 0.253 38.748 38.487 0.014 0.000 0.979 51 N HN 0.290 nan 8.380 nan 0.000 0.451 52 Y N 0.674 120.932 120.300 -0.070 0.000 2.506 52 Y HA 0.402 4.952 4.550 -0.000 0.000 0.287 52 Y C 2.097 177.936 175.900 -0.101 0.000 1.147 52 Y CA 0.608 58.649 58.100 -0.099 0.000 1.241 52 Y CB -0.257 38.164 38.460 -0.065 0.000 1.279 52 Y HN -0.058 nan 8.280 nan 0.000 0.527 53 A N -0.429 122.352 122.820 -0.065 0.000 2.072 53 A HA 0.361 4.681 4.320 -0.000 0.000 0.216 53 A C 1.779 179.330 177.584 -0.055 0.000 1.156 53 A CA 1.091 53.086 52.037 -0.070 0.000 0.701 53 A CB -1.016 18.026 19.000 0.071 0.000 0.816 53 A HN 1.041 nan 8.150 nan 0.000 0.458 54 G N -1.026 107.742 108.800 -0.054 0.000 2.134 54 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.209 54 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.209 54 G C 0.174 175.061 174.900 -0.022 0.000 0.993 54 G CA -0.014 45.061 45.100 -0.041 0.000 0.669 54 G HN 0.535 nan 8.290 nan 0.000 0.519 55 R N 0.949 121.436 120.500 -0.023 0.000 2.582 55 R HA 0.406 4.746 4.340 -0.000 0.000 0.271 55 R C -1.974 174.310 176.300 -0.027 0.000 1.078 55 R CA -0.985 55.100 56.100 -0.024 0.000 1.127 55 R CB 0.580 30.854 30.300 -0.044 0.000 1.038 55 R HN 0.234 nan 8.270 nan 0.000 0.500 56 P HA 0.044 nan 4.420 nan 0.000 0.277 56 P C -0.465 176.836 177.300 0.002 0.000 1.240 56 P CA -0.324 62.770 63.100 -0.010 0.000 0.798 56 P CB 0.852 32.547 31.700 -0.009 0.000 0.979 57 T N -1.547 113.015 114.554 0.013 0.000 2.918 57 T HA 0.610 4.959 4.350 -0.000 0.000 0.283 57 T C 0.477 175.194 174.700 0.029 0.000 1.001 57 T CA -0.788 61.325 62.100 0.022 0.000 1.041 57 T CB 0.716 69.604 68.868 0.033 0.000 1.028 57 T HN 0.538 nan 8.240 nan 0.000 0.511 58 A N 1.341 124.181 122.820 0.032 0.000 2.386 58 A HA 0.554 4.874 4.320 -0.000 0.000 0.246 58 A C -0.184 177.438 177.584 0.063 0.000 1.089 58 A CA -0.633 51.429 52.037 0.043 0.000 0.790 58 A CB -0.149 18.875 19.000 0.040 0.000 1.042 58 A HN 0.928 nan 8.150 nan 0.000 0.497 59 L N 1.232 122.505 121.223 0.084 0.000 2.353 59 L HA 0.450 4.789 4.340 -0.000 0.000 0.270 59 L C -0.274 176.730 176.870 0.223 0.000 1.003 59 L CA 0.255 55.175 54.840 0.133 0.000 0.862 59 L CB 1.414 43.518 42.059 0.075 0.000 1.221 59 L HN 0.613 nan 8.230 nan 0.000 0.430 60 T N 4.006 118.673 114.554 0.189 0.000 2.771 60 T HA 0.262 4.612 4.350 -0.000 0.000 0.291 60 T C -0.161 174.557 174.700 0.030 0.000 0.954 60 T CA -0.373 61.798 62.100 0.118 0.000 1.045 60 T CB 0.837 69.731 68.868 0.044 0.000 0.917 60 T HN 0.444 nan 8.240 nan 0.000 0.484 61 K N 2.700 123.016 120.400 -0.139 0.000 2.297 61 K HA 0.296 4.615 4.320 -0.000 0.000 0.286 61 K C -0.388 176.043 176.600 -0.282 0.000 1.053 61 K CA -0.638 55.312 56.287 -0.562 0.000 0.940 61 K CB 0.232 32.356 32.500 -0.625 0.000 1.019 61 K HN 0.645 nan 8.250 nan 0.000 0.475 62 C N 3.844 122.989 119.300 -0.258 0.000 2.637 62 C HA 0.200 4.660 4.460 -0.000 0.000 0.418 62 C C 1.479 176.386 174.990 -0.137 0.000 1.319 62 C CA -0.031 58.902 59.018 -0.142 0.000 1.949 62 C CB 0.432 28.107 27.740 -0.110 0.000 2.639 62 C HN 0.971 nan 8.230 nan 0.000 0.594 63 Q N 1.429 121.177 119.800 -0.088 0.000 2.189 63 Q HA 0.173 4.513 4.340 -0.000 0.000 0.223 63 Q C 0.848 176.816 176.000 -0.053 0.000 0.828 63 Q CA 0.540 56.299 55.803 -0.075 0.000 0.967 63 Q CB -0.507 28.196 28.738 -0.058 0.000 1.139 63 Q HN 0.952 nan 8.270 nan 0.000 0.497 64 N N -1.333 117.341 118.700 -0.044 0.000 2.430 64 N HA 0.275 5.015 4.740 -0.000 0.000 0.235 64 N C 1.467 176.925 175.510 -0.087 0.000 1.108 64 N CA 0.248 53.276 53.050 -0.037 0.000 0.834 64 N CB 0.673 39.179 38.487 0.032 0.000 1.430 64 N HN 0.262 nan 8.380 nan 0.000 0.463 65 I N 1.738 122.264 120.570 -0.074 0.000 2.567 65 I HA -0.153 4.017 4.170 -0.000 0.000 0.257 65 I C 1.415 177.463 176.117 -0.115 0.000 1.184 65 I CA 1.223 62.456 61.300 -0.112 0.000 1.451 65 I CB 0.077 38.047 38.000 -0.050 0.000 1.089 65 I HN 0.287 nan 8.210 nan 0.000 0.441 66 T N -1.845 112.653 114.554 -0.094 0.000 3.105 66 T HA 0.419 4.769 4.350 -0.000 0.000 0.253 66 T C 0.755 175.408 174.700 -0.078 0.000 1.047 66 T CA -0.003 62.047 62.100 -0.083 0.000 0.944 66 T CB -0.177 68.645 68.868 -0.076 0.000 1.016 66 T HN 0.207 nan 8.240 nan 0.000 0.544 67 A N 0.695 123.463 122.820 -0.085 0.000 2.540 67 A HA 0.514 4.834 4.320 -0.000 0.000 0.239 67 A C 1.731 179.276 177.584 -0.066 0.000 1.061 67 A CA 0.380 52.374 52.037 -0.071 0.000 0.758 67 A CB -1.040 17.916 19.000 -0.072 0.000 0.991 67 A HN 1.524 nan 8.150 nan 0.000 0.502 68 G N 1.004 109.773 108.800 -0.050 0.000 2.179 68 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.260 68 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.260 68 G C 0.522 175.397 174.900 -0.041 0.000 0.977 68 G CA 1.238 46.312 45.100 -0.044 0.000 0.641 68 G HN 2.433 nan 8.290 nan 0.000 0.533 69 T N -3.672 110.856 114.554 -0.044 0.000 2.864 69 T HA 0.715 5.065 4.350 -0.000 0.000 0.289 69 T C 0.600 175.279 174.700 -0.035 0.000 1.082 69 T CA -0.590 61.486 62.100 -0.040 0.000 1.009 69 T CB 1.675 70.515 68.868 -0.047 0.000 1.234 69 T HN 0.094 nan 8.240 nan 0.000 0.526 70 R N 0.164 120.646 120.500 -0.030 0.000 2.480 70 R HA 0.240 4.579 4.340 -0.000 0.000 0.277 70 R C -0.127 176.159 176.300 -0.024 0.000 1.008 70 R CA -0.194 55.892 56.100 -0.024 0.000 1.090 70 R CB 0.121 30.409 30.300 -0.019 0.000 1.234 70 R HN 0.570 nan 8.270 nan 0.000 0.549 71 T N 0.915 115.450 114.554 -0.031 0.000 2.837 71 T HA 0.204 4.553 4.350 -0.000 0.000 0.285 71 T C 0.069 174.749 174.700 -0.032 0.000 0.984 71 T CA 0.171 62.253 62.100 -0.030 0.000 1.049 71 T CB 1.914 70.759 68.868 -0.039 0.000 0.947 71 T HN -0.093 nan 8.240 nan 0.000 0.472 72 T N 4.125 118.670 114.554 -0.016 0.000 2.772 72 T HA 0.510 4.860 4.350 -0.000 0.000 0.288 72 T C -0.864 173.829 174.700 -0.012 0.000 0.994 72 T CA -0.546 61.538 62.100 -0.027 0.000 0.951 72 T CB 0.678 69.562 68.868 0.027 0.000 0.933 72 T HN 0.280 nan 8.240 nan 0.000 0.447 73 L N 4.758 125.928 121.223 -0.088 0.000 2.333 73 L HA 0.638 4.978 4.340 -0.000 0.000 0.280 73 L C -1.668 175.119 176.870 -0.139 0.000 1.004 73 L CA -0.676 54.135 54.840 -0.048 0.000 0.820 73 L CB 0.728 42.758 42.059 -0.050 0.000 1.247 73 L HN 0.573 nan 8.230 nan 0.000 0.416 74 Y N 4.606 124.903 120.300 -0.005 0.000 2.446 74 Y HA 0.649 5.199 4.550 -0.000 0.000 0.338 74 Y C -0.513 175.392 175.900 0.008 0.000 1.055 74 Y CA -0.664 57.438 58.100 0.003 0.000 1.101 74 Y CB 1.973 40.439 38.460 0.010 0.000 1.221 74 Y HN 0.379 nan 8.280 nan 0.000 0.460 75 L N 3.287 124.607 121.223 0.162 0.000 2.333 75 L HA 0.442 4.782 4.340 -0.000 0.000 0.280 75 L C -0.648 176.290 176.870 0.112 0.000 1.004 75 L CA -1.216 53.685 54.840 0.102 0.000 0.820 75 L CB 1.670 43.760 42.059 0.051 0.000 1.247 75 L HN 0.404 nan 8.230 nan 0.000 0.416 76 K N 3.782 124.240 120.400 0.096 0.000 2.312 76 K HA 0.187 4.507 4.320 -0.000 0.000 0.287 76 K C -0.087 176.553 176.600 0.067 0.000 1.062 76 K CA -0.161 56.178 56.287 0.086 0.000 0.934 76 K CB 0.538 33.090 32.500 0.087 0.000 1.027 76 K HN 0.279 nan 8.250 nan 0.000 0.478 77 R N 4.461 124.998 120.500 0.061 0.000 4.138 77 R HA 0.061 4.401 4.340 -0.000 0.000 0.206 77 R C -0.188 176.142 176.300 0.049 0.000 1.667 77 R CA -0.138 55.991 56.100 0.049 0.000 1.481 77 R CB 0.146 30.470 30.300 0.040 0.000 1.388 77 R HN 0.658 nan 8.270 nan 0.000 0.776 78 E N 0.993 121.229 120.200 0.061 0.000 2.418 78 E HA -0.125 4.224 4.350 -0.000 0.000 0.197 78 E C 1.030 177.671 176.600 0.068 0.000 1.026 78 E CA 0.605 57.052 56.400 0.078 0.000 0.862 78 E CB 0.216 29.984 29.700 0.115 0.000 0.799 78 E HN 0.514 nan 8.360 nan 0.000 0.518 79 D N 0.170 120.601 120.400 0.052 0.000 2.310 79 D HA -0.158 4.482 4.640 -0.000 0.000 0.212 79 D C 1.591 177.905 176.300 0.023 0.000 0.965 79 D CA 0.436 54.458 54.000 0.036 0.000 0.879 79 D CB -0.207 40.607 40.800 0.022 0.000 0.921 79 D HN 0.257 nan 8.370 nan 0.000 0.510 80 L N -0.159 121.079 121.223 0.024 0.000 2.592 80 L HA 0.187 4.527 4.340 -0.000 0.000 0.227 80 L C 0.763 177.644 176.870 0.019 0.000 1.127 80 L CA -0.496 54.354 54.840 0.017 0.000 0.884 80 L CB 0.037 42.105 42.059 0.015 0.000 1.065 80 L HN -0.001 nan 8.230 nan 0.000 0.457 81 L N -0.030 121.209 121.223 0.026 0.000 2.417 81 L HA 0.127 4.467 4.340 -0.000 0.000 0.268 81 L C 0.548 177.433 176.870 0.025 0.000 1.158 81 L CA -0.081 54.777 54.840 0.029 0.000 0.819 81 L CB 0.321 42.404 42.059 0.040 0.000 1.112 81 L HN 0.043 nan 8.230 nan 0.000 0.458 82 H N 3.262 122.275 119.070 -0.094 0.000 3.094 82 H HA 0.354 4.910 4.556 -0.000 0.000 0.320 82 H C 1.021 176.294 175.328 -0.091 0.000 1.000 82 H CA 0.865 56.827 56.048 -0.143 0.000 1.413 82 H CB 0.362 29.943 29.762 -0.302 0.000 1.405 82 H HN 0.755 nan 8.280 nan 0.000 0.586 83 G N 2.498 111.015 108.800 -0.473 0.000 2.279 83 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.223 83 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.223 83 G C 1.199 176.005 174.900 -0.155 0.000 1.015 83 G CA 0.556 45.439 45.100 -0.362 0.000 0.621 83 G HN 1.832 nan 8.290 nan 0.000 0.506 84 G N -0.733 108.012 108.800 -0.091 0.000 2.159 84 G HA2 0.414 4.374 3.960 -0.000 0.000 0.227 84 G HA3 0.414 4.374 3.960 -0.000 0.000 0.227 84 G C 0.558 175.458 174.900 -0.000 0.000 0.986 84 G CA 1.054 46.135 45.100 -0.032 0.000 0.651 84 G HN 2.570 nan 8.290 nan 0.000 0.523 85 A N -1.014 121.802 122.820 -0.007 0.000 2.586 85 A HA 0.715 5.035 4.320 -0.000 0.000 0.290 85 A C 0.845 178.441 177.584 0.021 0.000 1.086 85 A CA 0.563 52.626 52.037 0.042 0.000 0.665 85 A CB -0.010 18.999 19.000 0.014 0.000 1.279 85 A HN 1.188 nan 8.150 nan 0.000 0.423 86 H N 0.649 119.737 119.070 0.032 0.000 2.489 86 H HA -0.089 4.466 4.556 -0.000 0.000 0.295 86 H C 0.829 176.198 175.328 0.068 0.000 1.082 86 H CA 1.581 57.657 56.048 0.046 0.000 1.295 86 H CB -0.156 29.631 29.762 0.040 0.000 1.380 86 H HN 0.546 nan 8.280 nan 0.000 0.548 87 K N 0.780 120.798 120.400 -0.637 0.000 2.127 87 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 87 K C 2.110 178.680 176.600 -0.051 0.000 1.047 87 K CA 1.544 57.624 56.287 -0.346 0.000 0.927 87 K CB -0.818 31.554 32.500 -0.213 0.000 0.716 87 K HN 0.421 nan 8.250 nan 0.000 0.450 88 T N 2.076 116.610 114.554 -0.034 0.000 2.759 88 T HA -0.111 4.238 4.350 -0.000 0.000 0.269 88 T C 1.576 176.348 174.700 0.120 0.000 1.042 88 T CA 1.228 63.353 62.100 0.041 0.000 1.140 88 T CB -0.187 68.698 68.868 0.027 0.000 0.864 88 T HN 0.243 nan 8.240 nan 0.000 0.455 89 N N 1.898 120.677 118.700 0.132 0.000 2.018 89 N HA -0.167 4.573 4.740 -0.000 0.000 0.196 89 N C 2.092 177.786 175.510 0.306 0.000 1.043 89 N CA 1.881 55.055 53.050 0.206 0.000 0.856 89 N CB -0.508 38.099 38.487 0.199 0.000 1.042 89 N HN 0.660 nan 8.380 nan 0.000 0.423 90 Q N 0.925 120.892 119.800 0.278 0.000 2.331 90 Q HA 0.019 4.358 4.340 -0.000 0.000 0.203 90 Q C 1.892 178.031 176.000 0.232 0.000 0.944 90 Q CA 0.903 56.907 55.803 0.335 0.000 0.892 90 Q CB -0.508 28.439 28.738 0.348 0.000 0.983 90 Q HN 0.293 nan 8.270 nan 0.000 0.482 91 V N -1.295 118.728 119.914 0.182 0.000 2.515 91 V HA -0.150 3.969 4.120 -0.000 0.000 0.250 91 V C 2.083 178.214 176.094 0.061 0.000 1.058 91 V CA 1.352 63.731 62.300 0.132 0.000 1.064 91 V CB -0.779 31.087 31.823 0.071 0.000 0.675 91 V HN 0.368 nan 8.190 nan 0.000 0.461 92 L N 1.256 122.525 121.223 0.077 0.000 2.056 92 L HA 0.043 4.383 4.340 -0.000 0.000 0.207 92 L C 2.869 179.577 176.870 -0.270 0.000 1.078 92 L CA 1.730 56.581 54.840 0.018 0.000 0.749 92 L CB -1.202 40.973 42.059 0.194 0.000 0.901 92 L HN 0.486 nan 8.230 nan 0.000 0.433 93 G N -1.135 107.293 108.800 -0.620 0.000 2.404 93 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.215 93 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.215 93 G C 1.502 176.110 174.900 -0.487 0.000 1.174 93 G CA 0.224 44.400 45.100 -1.541 0.000 0.780 93 G HN 0.331 nan 8.290 nan 0.000 0.537 94 Q N 0.066 119.856 119.800 -0.017 0.000 2.170 94 Q HA -0.029 4.311 4.340 -0.000 0.000 0.203 94 Q C 3.001 179.022 176.000 0.035 0.000 0.976 94 Q CA 1.108 57.013 55.803 0.170 0.000 0.858 94 Q CB -0.213 28.697 28.738 0.286 0.000 0.907 94 Q HN 0.490 nan 8.270 nan 0.000 0.433 95 A N 0.750 123.571 122.820 0.001 0.000 1.930 95 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 95 A C 2.032 179.592 177.584 -0.041 0.000 1.175 95 A CA 0.916 52.950 52.037 -0.005 0.000 0.627 95 A CB -0.535 18.453 19.000 -0.022 0.000 0.815 95 A HN 0.275 nan 8.150 nan 0.000 0.443 96 L N -0.660 120.503 121.223 -0.101 0.000 2.093 96 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 96 L C 2.515 179.474 176.870 0.147 0.000 1.085 96 L CA 0.724 55.520 54.840 -0.073 0.000 0.755 96 L CB -0.448 41.388 42.059 -0.372 0.000 0.904 96 L HN 0.373 nan 8.230 nan 0.000 0.435 97 L N -0.426 120.900 121.223 0.172 0.000 2.046 97 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 97 L C 2.901 179.748 176.870 -0.038 0.000 1.077 97 L CA 1.193 56.099 54.840 0.110 0.000 0.747 97 L CB -0.665 41.419 42.059 0.043 0.000 0.896 97 L HN 0.263 nan 8.230 nan 0.000 0.432 98 A N 0.306 123.049 122.820 -0.128 0.000 1.883 98 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 98 A C 2.280 179.874 177.584 0.016 0.000 1.186 98 A CA 1.923 53.906 52.037 -0.088 0.000 0.624 98 A CB -0.379 18.622 19.000 0.002 0.000 0.822 98 A HN 0.343 nan 8.150 nan 0.000 0.444 99 K N -0.984 119.431 120.400 0.024 0.000 2.148 99 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 99 K C 2.302 178.929 176.600 0.045 0.000 1.050 99 K CA 1.230 57.537 56.287 0.033 0.000 0.942 99 K CB -0.141 32.368 32.500 0.016 0.000 0.724 99 K HN 0.472 nan 8.250 nan 0.000 0.446 100 R N 0.896 121.435 120.500 0.065 0.000 2.120 100 R HA -0.022 4.318 4.340 -0.000 0.000 0.234 100 R C 1.783 178.107 176.300 0.039 0.000 1.123 100 R CA 1.190 57.330 56.100 0.067 0.000 0.975 100 R CB 0.037 30.390 30.300 0.089 0.000 0.866 100 R HN 0.161 nan 8.270 nan 0.000 0.446 101 M N -0.779 118.843 119.600 0.037 0.000 2.561 101 M HA 0.144 4.624 4.480 -0.000 0.000 0.238 101 M C 0.895 177.228 176.300 0.056 0.000 1.131 101 M CA 0.844 56.171 55.300 0.045 0.000 1.046 101 M CB 0.901 33.538 32.600 0.062 0.000 1.532 101 M HN 0.483 nan 8.290 nan 0.000 0.497 102 G N 1.330 110.160 108.800 0.050 0.000 2.143 102 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.249 102 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.249 102 G C -0.128 174.809 174.900 0.062 0.000 0.981 102 G CA 0.018 45.147 45.100 0.048 0.000 0.665 102 G HN 0.325 nan 8.290 nan 0.000 0.528 103 K N 0.602 121.051 120.400 0.083 0.000 2.218 103 K HA 0.612 4.932 4.320 -0.000 0.000 0.276 103 K C 1.423 178.076 176.600 0.089 0.000 1.022 103 K CA 0.361 56.715 56.287 0.112 0.000 0.946 103 K CB 1.304 33.913 32.500 0.183 0.000 1.000 103 K HN 0.340 nan 8.250 nan 0.000 0.468 104 S N 0.523 116.274 115.700 0.085 0.000 2.578 104 S HA 0.204 4.674 4.470 -0.000 0.000 0.228 104 S C -0.160 174.480 174.600 0.067 0.000 1.022 104 S CA -0.433 57.804 58.200 0.062 0.000 0.967 104 S CB 0.072 63.298 63.200 0.043 0.000 0.914 104 S HN 0.559 nan 8.310 nan 0.000 0.515 105 E N 0.884 121.142 120.200 0.097 0.000 2.277 105 E HA 0.578 4.928 4.350 -0.000 0.000 0.266 105 E C -1.363 175.313 176.600 0.127 0.000 0.901 105 E CA -0.952 55.504 56.400 0.093 0.000 0.782 105 E CB 1.693 31.447 29.700 0.091 0.000 1.228 105 E HN 0.117 nan 8.360 nan 0.000 0.424 106 I N 2.634 123.259 120.570 0.093 0.000 2.498 106 I HA 0.416 4.586 4.170 -0.000 0.000 0.290 106 I C -0.475 175.678 176.117 0.061 0.000 1.032 106 I CA -0.604 60.752 61.300 0.093 0.000 1.073 106 I CB 1.466 39.507 38.000 0.069 0.000 1.251 106 I HN 0.498 nan 8.210 nan 0.000 0.426 107 I N 4.947 125.558 120.570 0.069 0.000 2.433 107 I HA 0.718 4.888 4.170 -0.000 0.000 0.292 107 I C 0.034 176.264 176.117 0.188 0.000 1.001 107 I CA -0.368 60.994 61.300 0.104 0.000 1.119 107 I CB 2.056 40.131 38.000 0.125 0.000 1.289 107 I HN 0.668 nan 8.210 nan 0.000 0.438 108 A N 5.430 128.357 122.820 0.179 0.000 2.515 108 A HA 0.811 5.131 4.320 -0.000 0.000 0.296 108 A C -1.115 176.642 177.584 0.289 0.000 1.094 108 A CA -0.578 51.607 52.037 0.246 0.000 0.718 108 A CB 1.825 20.871 19.000 0.076 0.000 1.307 108 A HN 0.637 nan 8.150 nan 0.000 0.408 109 E N 0.553 120.965 120.200 0.354 0.000 2.244 109 E HA 0.777 5.127 4.350 -0.000 0.000 0.266 109 E C -1.137 175.597 176.600 0.224 0.000 0.914 109 E CA -0.571 55.993 56.400 0.273 0.000 0.794 109 E CB 1.975 31.830 29.700 0.259 0.000 1.210 109 E HN 0.529 nan 8.360 nan 0.000 0.414 110 T N 0.332 114.975 114.554 0.149 0.000 2.889 110 T HA 0.605 4.954 4.350 -0.000 0.000 0.315 110 T C -0.116 174.629 174.700 0.076 0.000 1.291 110 T CA 0.078 62.250 62.100 0.120 0.000 1.028 110 T CB 1.347 70.273 68.868 0.096 0.000 1.235 110 T HN 0.535 nan 8.240 nan 0.000 0.491 111 G N 0.871 109.708 108.800 0.062 0.000 2.732 111 G HA2 0.451 4.410 3.960 -0.000 0.000 0.206 111 G HA3 0.451 4.410 3.960 -0.000 0.000 0.206 111 G C 1.575 176.497 174.900 0.037 0.000 1.253 111 G CA 0.721 45.846 45.100 0.043 0.000 0.796 111 G HN 0.900 nan 8.290 nan 0.000 0.616 112 A N -0.387 122.455 122.820 0.037 0.000 2.014 112 A HA 0.407 4.727 4.320 -0.000 0.000 0.218 112 A C 2.130 179.737 177.584 0.038 0.000 1.163 112 A CA 1.898 53.956 52.037 0.035 0.000 0.652 112 A CB -0.560 18.460 19.000 0.033 0.000 0.808 112 A HN 1.852 nan 8.150 nan 0.000 0.449 113 G N -1.822 107.002 108.800 0.040 0.000 2.213 113 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.226 113 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.226 113 G C 0.982 175.889 174.900 0.012 0.000 0.992 113 G CA 0.972 46.089 45.100 0.028 0.000 0.632 113 G HN 0.504 nan 8.290 nan 0.000 0.511 114 Q N 0.195 120.008 119.800 0.021 0.000 2.046 114 Q HA -0.022 4.318 4.340 -0.000 0.000 0.200 114 Q C 2.023 178.013 176.000 -0.016 0.000 0.975 114 Q CA 2.592 58.394 55.803 -0.003 0.000 0.836 114 Q CB -0.453 28.288 28.738 0.005 0.000 0.896 114 Q HN 0.794 nan 8.270 nan 0.000 0.428 115 H N -1.143 117.889 119.070 -0.064 0.000 2.423 115 H HA 0.060 4.616 4.556 -0.000 0.000 0.297 115 H C 1.655 176.956 175.328 -0.046 0.000 1.075 115 H CA 1.803 57.807 56.048 -0.072 0.000 1.342 115 H CB -0.432 29.287 29.762 -0.071 0.000 1.395 115 H HN 0.345 nan 8.280 nan 0.000 0.530 116 G N -0.108 108.620 108.800 -0.119 0.000 2.421 116 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 116 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 116 G C 1.830 176.637 174.900 -0.154 0.000 1.171 116 G CA 1.075 46.089 45.100 -0.143 0.000 0.775 116 G HN 0.379 nan 8.290 nan 0.000 0.543 117 V N 1.480 121.327 119.914 -0.111 0.000 2.343 117 V HA -0.112 4.008 4.120 -0.000 0.000 0.247 117 V C 3.315 179.332 176.094 -0.129 0.000 1.051 117 V CA 1.987 64.225 62.300 -0.103 0.000 1.036 117 V CB -0.719 31.057 31.823 -0.079 0.000 0.654 117 V HN 0.479 nan 8.190 nan 0.000 0.451 118 A N -0.513 122.212 122.820 -0.158 0.000 1.902 118 A HA -0.198 4.121 4.320 -0.000 0.000 0.217 118 A C 2.484 179.981 177.584 -0.145 0.000 1.181 118 A CA 2.215 54.169 52.037 -0.139 0.000 0.623 118 A CB -0.659 18.268 19.000 -0.122 0.000 0.818 118 A HN 0.510 nan 8.150 nan 0.000 0.443 119 S N -0.128 115.410 115.700 -0.270 0.000 2.368 119 S HA -0.028 4.441 4.470 -0.000 0.000 0.225 119 S C 2.287 176.820 174.600 -0.113 0.000 1.030 119 S CA 1.176 59.242 58.200 -0.224 0.000 0.999 119 S CB -0.426 62.577 63.200 -0.328 0.000 0.844 119 S HN 0.791 nan 8.310 nan 0.000 0.459 120 A N 1.876 124.630 122.820 -0.109 0.000 1.898 120 A HA -0.012 4.307 4.320 -0.000 0.000 0.216 120 A C 2.179 179.742 177.584 -0.034 0.000 1.181 120 A CA 1.519 53.515 52.037 -0.069 0.000 0.620 120 A CB -0.734 18.221 19.000 -0.075 0.000 0.819 120 A HN 0.524 nan 8.150 nan 0.000 0.442 121 L N -1.820 119.392 121.223 -0.017 0.000 2.093 121 L HA 0.143 4.483 4.340 -0.000 0.000 0.208 121 L C 2.390 179.310 176.870 0.084 0.000 1.085 121 L CA 2.046 56.924 54.840 0.063 0.000 0.755 121 L CB -1.200 40.919 42.059 0.100 0.000 0.904 121 L HN 0.164 nan 8.230 nan 0.000 0.435 122 A N -0.258 122.590 122.820 0.047 0.000 1.929 122 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 122 A C 2.433 179.999 177.584 -0.030 0.000 1.176 122 A CA 1.669 53.714 52.037 0.013 0.000 0.628 122 A CB -0.849 18.161 19.000 0.017 0.000 0.816 122 A HN 0.508 nan 8.150 nan 0.000 0.444 123 S N -0.168 115.519 115.700 -0.022 0.000 2.383 123 S HA 0.025 4.495 4.470 -0.000 0.000 0.227 123 S C 2.271 176.854 174.600 -0.029 0.000 1.026 123 S CA 1.018 59.204 58.200 -0.023 0.000 0.981 123 S CB -0.335 62.853 63.200 -0.020 0.000 0.818 123 S HN 0.762 nan 8.310 nan 0.000 0.472 124 A N 1.302 124.108 122.820 -0.024 0.000 1.898 124 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 124 A C 2.108 179.667 177.584 -0.042 0.000 1.181 124 A CA 1.258 53.281 52.037 -0.023 0.000 0.620 124 A CB -0.664 18.334 19.000 -0.004 0.000 0.819 124 A HN 0.431 nan 8.150 nan 0.000 0.442 125 L N -0.513 120.666 121.223 -0.073 0.000 2.056 125 L HA 0.019 4.359 4.340 -0.000 0.000 0.207 125 L C 1.729 178.513 176.870 -0.143 0.000 1.078 125 L CA 1.708 56.453 54.840 -0.157 0.000 0.749 125 L CB -0.246 41.589 42.059 -0.373 0.000 0.901 125 L HN 0.355 nan 8.230 nan 0.000 0.433 126 L N -0.372 120.782 121.223 -0.116 0.000 2.628 126 L HA 0.352 4.692 4.340 -0.000 0.000 0.229 126 L C 1.134 177.972 176.870 -0.054 0.000 1.137 126 L CA 0.319 55.103 54.840 -0.092 0.000 0.909 126 L CB -0.613 41.390 42.059 -0.093 0.000 1.137 126 L HN 0.464 nan 8.230 nan 0.000 0.470 127 G N 1.341 110.115 108.800 -0.044 0.000 2.256 127 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.272 127 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.272 127 G C -0.241 174.652 174.900 -0.011 0.000 1.076 127 G CA -0.076 45.008 45.100 -0.026 0.000 0.882 127 G HN 0.248 nan 8.290 nan 0.000 0.497 128 L N -0.651 120.567 121.223 -0.008 0.000 2.329 128 L HA 0.514 4.854 4.340 -0.000 0.000 0.279 128 L C 0.580 177.453 176.870 0.006 0.000 1.014 128 L CA -1.044 53.801 54.840 0.009 0.000 0.814 128 L CB 1.692 43.763 42.059 0.020 0.000 1.257 128 L HN 0.040 nan 8.230 nan 0.000 0.424 129 K N 1.993 122.401 120.400 0.014 0.000 2.310 129 K HA 0.252 4.572 4.320 -0.000 0.000 0.290 129 K C -0.775 175.829 176.600 0.006 0.000 1.077 129 K CA -0.287 56.003 56.287 0.006 0.000 0.922 129 K CB 0.988 33.495 32.500 0.012 0.000 1.057 129 K HN 0.449 nan 8.250 nan 0.000 0.479 130 C N 5.218 124.510 119.300 -0.013 0.000 2.281 130 C HA 0.409 4.869 4.460 -0.000 0.000 0.325 130 C C -0.262 174.694 174.990 -0.057 0.000 1.282 130 C CA -0.752 58.251 59.018 -0.026 0.000 1.640 130 C CB -0.541 27.178 27.740 -0.035 0.000 2.288 130 C HN 0.912 nan 8.230 nan 0.000 0.507 131 R N 5.823 126.278 120.500 -0.076 0.000 2.494 131 R HA 0.813 5.153 4.340 -0.000 0.000 0.305 131 R C -1.472 174.698 176.300 -0.217 0.000 0.959 131 R CA -0.689 55.310 56.100 -0.168 0.000 0.864 131 R CB 1.003 31.177 30.300 -0.210 0.000 1.159 131 R HN 0.648 nan 8.270 nan 0.000 0.446 132 I N 3.135 123.552 120.570 -0.255 0.000 2.433 132 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 132 I C -0.902 175.046 176.117 -0.280 0.000 1.001 132 I CA -1.239 59.950 61.300 -0.185 0.000 1.119 132 I CB 1.502 39.448 38.000 -0.090 0.000 1.289 132 I HN 0.539 nan 8.210 nan 0.000 0.438 133 Y N 6.173 126.487 120.300 0.023 0.000 2.330 133 Y HA 0.607 5.157 4.550 -0.000 0.000 0.336 133 Y C 0.095 175.999 175.900 0.007 0.000 1.036 133 Y CA -0.485 57.620 58.100 0.008 0.000 1.125 133 Y CB 1.672 40.132 38.460 -0.000 0.000 1.194 133 Y HN 0.442 nan 8.280 nan 0.000 0.469 134 M N 2.129 121.810 119.600 0.135 0.000 2.324 134 M HA 0.568 5.048 4.480 -0.000 0.000 0.288 134 M C -0.169 176.142 176.300 0.018 0.000 1.097 134 M CA -0.663 54.676 55.300 0.065 0.000 0.928 134 M CB 1.545 34.165 32.600 0.034 0.000 1.648 134 M HN 0.810 nan 8.290 nan 0.000 0.460 135 G N 2.076 110.878 108.800 0.002 0.000 2.353 135 G HA2 0.328 4.288 3.960 -0.000 0.000 0.239 135 G HA3 0.328 4.288 3.960 -0.000 0.000 0.239 135 G C 0.794 175.648 174.900 -0.076 0.000 1.295 135 G CA 0.297 45.371 45.100 -0.042 0.000 0.884 135 G HN 1.058 nan 8.290 nan 0.000 0.537 136 A N 2.498 125.214 122.820 -0.172 0.000 1.978 136 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 136 A C 2.317 179.875 177.584 -0.044 0.000 1.170 136 A CA 1.842 53.772 52.037 -0.179 0.000 0.636 136 A CB -0.237 18.537 19.000 -0.376 0.000 0.810 136 A HN 0.702 nan 8.150 nan 0.000 0.448 137 K N -0.605 119.782 120.400 -0.022 0.000 2.148 137 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 137 K C 1.231 177.838 176.600 0.011 0.000 1.050 137 K CA 1.361 57.653 56.287 0.008 0.000 0.942 137 K CB -0.145 32.363 32.500 0.012 0.000 0.724 137 K HN 0.454 nan 8.250 nan 0.000 0.446 138 D N 0.289 120.691 120.400 0.003 0.000 2.162 138 D HA -0.091 4.549 4.640 -0.000 0.000 0.203 138 D C 1.982 178.293 176.300 0.018 0.000 0.967 138 D CA 0.722 54.731 54.000 0.014 0.000 0.840 138 D CB -0.121 40.688 40.800 0.014 0.000 0.972 138 D HN -0.097 nan 8.370 nan 0.000 0.482 139 V N 1.771 121.689 119.914 0.008 0.000 2.332 139 V HA -0.288 3.831 4.120 -0.000 0.000 0.248 139 V C 2.841 178.950 176.094 0.024 0.000 1.055 139 V CA 2.648 64.957 62.300 0.016 0.000 1.038 139 V CB -1.028 30.797 31.823 0.004 0.000 0.651 139 V HN 0.354 nan 8.190 nan 0.000 0.450 140 E N 1.169 121.383 120.200 0.022 0.000 2.085 140 E HA -0.276 4.073 4.350 -0.000 0.000 0.194 140 E C 2.086 178.700 176.600 0.023 0.000 0.994 140 E CA 1.668 58.083 56.400 0.025 0.000 0.801 140 E CB -0.589 29.128 29.700 0.028 0.000 0.743 140 E HN 0.866 nan 8.360 nan 0.000 0.453 141 R N -0.815 119.702 120.500 0.028 0.000 2.359 141 R HA 0.166 4.506 4.340 -0.000 0.000 0.231 141 R C 0.471 176.797 176.300 0.044 0.000 0.913 141 R CA 0.120 56.240 56.100 0.034 0.000 1.075 141 R CB 0.407 30.730 30.300 0.039 0.000 1.087 141 R HN 0.213 nan 8.270 nan 0.000 0.515 142 Q N 0.678 120.504 119.800 0.043 0.000 2.215 142 Q HA 0.262 4.602 4.340 -0.000 0.000 0.337 142 Q C 0.098 176.134 176.000 0.060 0.000 0.887 142 Q CA -0.130 55.706 55.803 0.055 0.000 1.134 142 Q CB 1.715 30.482 28.738 0.049 0.000 1.303 142 Q HN 0.160 nan 8.270 nan 0.000 0.421 143 S N 1.513 117.243 115.700 0.051 0.000 2.374 143 S HA -0.126 4.344 4.470 -0.000 0.000 0.227 143 S C -0.778 173.880 174.600 0.096 0.000 1.037 143 S CA 1.402 59.633 58.200 0.052 0.000 1.024 143 S CB -0.795 62.410 63.200 0.008 0.000 0.861 143 S HN 0.356 nan 8.310 nan 0.000 0.456 144 P HA -0.049 nan 4.420 nan 0.000 0.214 144 P C 0.851 178.243 177.300 0.154 0.000 1.163 144 P CA 1.148 64.337 63.100 0.149 0.000 0.883 144 P CB -0.146 31.645 31.700 0.151 0.000 0.788 145 N N -1.007 117.755 118.700 0.103 0.000 2.223 145 N HA -0.097 4.643 4.740 -0.000 0.000 0.185 145 N C 1.505 177.053 175.510 0.063 0.000 1.016 145 N CA 0.467 53.557 53.050 0.067 0.000 0.863 145 N CB -0.372 38.142 38.487 0.044 0.000 0.983 145 N HN -0.093 nan 8.380 nan 0.000 0.429 146 V N 0.501 120.468 119.914 0.088 0.000 2.427 146 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 146 V C 1.713 177.884 176.094 0.128 0.000 1.051 146 V CA 1.319 63.669 62.300 0.083 0.000 1.048 146 V CB -0.534 31.339 31.823 0.083 0.000 0.666 146 V HN 0.305 nan 8.190 nan 0.000 0.456 147 F N 1.018 120.970 119.950 0.003 0.000 2.206 147 F HA -0.026 4.500 4.527 -0.000 0.000 0.298 147 F C 2.461 178.263 175.800 0.002 0.000 1.090 147 F CA 1.333 59.335 58.000 0.004 0.000 1.323 147 F CB -0.299 38.706 39.000 0.008 0.000 1.028 147 F HN -0.037 nan 8.300 nan 0.000 0.492 148 R N -0.412 120.046 120.500 -0.069 0.000 2.073 148 R HA -0.179 4.161 4.340 -0.000 0.000 0.234 148 R C 2.312 178.518 176.300 -0.157 0.000 1.134 148 R CA 2.007 58.018 56.100 -0.149 0.000 0.952 148 R CB -0.441 29.832 30.300 -0.045 0.000 0.850 148 R HN 0.326 nan 8.270 nan 0.000 0.433 149 M N -0.376 119.168 119.600 -0.093 0.000 2.108 149 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 149 M C 2.234 178.470 176.300 -0.107 0.000 1.066 149 M CA 1.769 57.018 55.300 -0.085 0.000 1.107 149 M CB -0.164 32.403 32.600 -0.055 0.000 1.356 149 M HN 0.061 nan 8.290 nan 0.000 0.406 150 R N 0.033 120.458 120.500 -0.124 0.000 2.090 150 R HA -0.002 4.338 4.340 -0.000 0.000 0.228 150 R C 2.053 178.234 176.300 -0.199 0.000 1.110 150 R CA 0.986 57.012 56.100 -0.123 0.000 0.973 150 R CB -0.302 29.968 30.300 -0.050 0.000 0.869 150 R HN 0.348 nan 8.270 nan 0.000 0.440 151 L N 0.117 121.124 121.223 -0.359 0.000 2.191 151 L HA -0.116 4.223 4.340 -0.000 0.000 0.212 151 L C 1.965 178.728 176.870 -0.178 0.000 1.103 151 L CA 1.107 55.739 54.840 -0.348 0.000 0.769 151 L CB -0.101 41.672 42.059 -0.477 0.000 0.908 151 L HN 0.253 nan 8.230 nan 0.000 0.438 152 M N -1.054 118.461 119.600 -0.142 0.000 2.563 152 M HA 0.148 4.628 4.480 -0.000 0.000 0.231 152 M C 1.293 177.555 176.300 -0.063 0.000 1.136 152 M CA 0.672 55.923 55.300 -0.081 0.000 1.026 152 M CB 0.299 32.861 32.600 -0.062 0.000 1.597 152 M HN 0.388 nan 8.290 nan 0.000 0.495 153 G N 0.778 109.535 108.800 -0.072 0.000 2.176 153 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.253 153 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.253 153 G C 0.145 175.016 174.900 -0.048 0.000 0.979 153 G CA 0.103 45.172 45.100 -0.051 0.000 0.641 153 G HN 0.664 nan 8.290 nan 0.000 0.530 154 A N 0.028 122.814 122.820 -0.058 0.000 2.327 154 A HA 0.667 4.987 4.320 -0.000 0.000 0.283 154 A C 0.394 177.943 177.584 -0.059 0.000 1.127 154 A CA 0.355 52.357 52.037 -0.059 0.000 0.810 154 A CB 0.596 19.555 19.000 -0.067 0.000 1.066 154 A HN 0.622 nan 8.150 nan 0.000 0.492 155 E N 2.037 122.196 120.200 -0.067 0.000 2.223 155 E HA 0.416 4.766 4.350 -0.000 0.000 0.282 155 E C -1.243 175.295 176.600 -0.103 0.000 1.046 155 E CA -0.321 56.035 56.400 -0.072 0.000 0.857 155 E CB 0.711 30.366 29.700 -0.076 0.000 1.055 155 E HN 0.356 nan 8.360 nan 0.000 0.409 156 V N 7.049 126.919 119.914 -0.074 0.000 2.394 156 V HA 0.313 4.433 4.120 -0.000 0.000 0.282 156 V C 0.071 176.121 176.094 -0.074 0.000 1.031 156 V CA -0.505 61.749 62.300 -0.077 0.000 0.881 156 V CB 1.185 32.991 31.823 -0.028 0.000 0.982 156 V HN 0.626 nan 8.190 nan 0.000 0.451 157 I N 7.302 127.800 120.570 -0.120 0.000 2.382 157 I HA 0.371 4.540 4.170 -0.000 0.000 0.285 157 I C -2.540 173.604 176.117 0.045 0.000 1.007 157 I CA -2.019 59.252 61.300 -0.048 0.000 1.142 157 I CB 2.048 39.960 38.000 -0.147 0.000 1.289 157 I HN 0.398 nan 8.210 nan 0.000 0.453 158 P HA 0.110 nan 4.420 nan 0.000 0.271 158 P C -0.727 176.501 177.300 -0.121 0.000 1.216 158 P CA -0.132 62.924 63.100 -0.075 0.000 0.776 158 P CB 0.902 32.541 31.700 -0.101 0.000 0.881 159 V N 4.538 124.339 119.914 -0.188 0.000 2.378 159 V HA 0.159 4.279 4.120 -0.000 0.000 0.288 159 V C 0.938 176.872 176.094 -0.267 0.000 1.016 159 V CA -0.235 61.990 62.300 -0.125 0.000 0.840 159 V CB 0.820 32.632 31.823 -0.019 0.000 0.994 159 V HN 0.684 nan 8.190 nan 0.000 0.431 160 H N 1.316 120.409 119.070 0.037 0.000 2.575 160 H HA 0.124 4.680 4.556 -0.000 0.000 0.267 160 H C 1.302 176.638 175.328 0.014 0.000 0.966 160 H CA 0.338 56.401 56.048 0.024 0.000 1.165 160 H CB 0.651 30.427 29.762 0.024 0.000 1.433 160 H HN 0.662 nan 8.280 nan 0.000 0.544 161 S N 0.119 115.871 115.700 0.087 0.000 2.584 161 S HA 0.356 4.826 4.470 -0.000 0.000 0.270 161 S C 1.363 175.976 174.600 0.022 0.000 1.346 161 S CA -0.010 58.220 58.200 0.050 0.000 1.018 161 S CB 1.607 64.824 63.200 0.029 0.000 0.899 161 S HN 0.584 nan 8.310 nan 0.000 0.542 162 G N 1.782 110.589 108.800 0.012 0.000 2.634 162 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.309 162 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.309 162 G C 0.973 175.869 174.900 -0.007 0.000 1.265 162 G CA 1.151 46.247 45.100 -0.007 0.000 0.998 162 G HN 2.014 nan 8.290 nan 0.000 0.551 163 S N 0.436 116.123 115.700 -0.022 0.000 2.603 163 S HA 0.464 4.934 4.470 -0.000 0.000 0.220 163 S C 1.678 176.272 174.600 -0.010 0.000 0.967 163 S CA 1.387 59.575 58.200 -0.019 0.000 0.920 163 S CB -0.029 63.149 63.200 -0.037 0.000 0.773 163 S HN 2.619 nan 8.310 nan 0.000 0.529 164 A N 0.539 123.352 122.820 -0.012 0.000 2.791 164 A HA -0.100 4.220 4.320 -0.000 0.000 0.292 164 A C 0.735 178.303 177.584 -0.027 0.000 1.487 164 A CA 0.973 52.996 52.037 -0.024 0.000 0.760 164 A CB -2.591 16.404 19.000 -0.008 0.000 1.031 164 A HN 1.254 nan 8.150 nan 0.000 0.503 165 T N -4.699 109.840 114.554 -0.025 0.000 2.591 165 T HA 0.644 4.994 4.350 -0.000 0.000 0.274 165 T C 0.988 175.677 174.700 -0.019 0.000 0.945 165 T CA -0.090 61.998 62.100 -0.020 0.000 1.087 165 T CB 0.195 69.050 68.868 -0.021 0.000 1.416 165 T HN 1.156 nan 8.240 nan 0.000 0.514 166 L N 1.618 122.832 121.223 -0.014 0.000 2.051 166 L HA -0.098 4.242 4.340 -0.000 0.000 0.214 166 L C 2.656 179.502 176.870 -0.040 0.000 1.076 166 L CA 2.518 57.354 54.840 -0.006 0.000 0.758 166 L CB -1.092 40.980 42.059 0.021 0.000 0.890 166 L HN 0.887 nan 8.230 nan 0.000 0.433 167 K N -1.633 118.725 120.400 -0.070 0.000 2.097 167 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 167 K C 1.576 178.171 176.600 -0.008 0.000 1.050 167 K CA 1.664 57.914 56.287 -0.062 0.000 0.938 167 K CB -0.725 31.717 32.500 -0.096 0.000 0.718 167 K HN 0.397 nan 8.250 nan 0.000 0.442 168 D N 1.607 121.994 120.400 -0.022 0.000 2.144 168 D HA -0.099 4.541 4.640 -0.000 0.000 0.200 168 D C 2.100 178.384 176.300 -0.026 0.000 0.978 168 D CA 1.393 55.385 54.000 -0.013 0.000 0.833 168 D CB -0.060 40.727 40.800 -0.021 0.000 0.961 168 D HN 0.431 nan 8.370 nan 0.000 0.470 169 A N 0.965 123.776 122.820 -0.015 0.000 1.902 169 A HA -0.176 4.143 4.320 -0.000 0.000 0.217 169 A C 2.571 180.146 177.584 -0.015 0.000 1.181 169 A CA 1.086 53.130 52.037 0.012 0.000 0.623 169 A CB -0.949 18.089 19.000 0.062 0.000 0.818 169 A HN 0.309 nan 8.150 nan 0.000 0.443 170 C N -0.166 119.112 119.300 -0.037 0.000 2.432 170 C HA -0.111 4.349 4.460 -0.000 0.000 0.277 170 C C 2.709 177.712 174.990 0.022 0.000 1.249 170 C CA 1.180 60.165 59.018 -0.055 0.000 1.725 170 C CB -1.442 26.024 27.740 -0.458 0.000 2.028 170 C HN 0.662 nan 8.230 nan 0.000 0.477 171 N N 0.910 119.623 118.700 0.021 0.000 2.069 171 N HA -0.149 4.591 4.740 -0.000 0.000 0.191 171 N C 1.648 177.104 175.510 -0.089 0.000 1.031 171 N CA 1.414 54.485 53.050 0.036 0.000 0.852 171 N CB -0.684 37.842 38.487 0.064 0.000 1.018 171 N HN 0.543 nan 8.380 nan 0.000 0.423 172 E N 0.962 121.047 120.200 -0.192 0.000 2.118 172 E HA -0.025 4.325 4.350 -0.000 0.000 0.195 172 E C 1.780 177.995 176.600 -0.642 0.000 0.992 172 E CA 1.217 57.358 56.400 -0.432 0.000 0.804 172 E CB -0.363 28.988 29.700 -0.582 0.000 0.741 172 E HN 0.349 nan 8.360 nan 0.000 0.458 173 A N 0.200 122.713 122.820 -0.512 0.000 1.902 173 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 173 A C 2.268 179.601 177.584 -0.420 0.000 1.181 173 A CA 1.370 53.133 52.037 -0.457 0.000 0.623 173 A CB -0.672 18.032 19.000 -0.493 0.000 0.818 173 A HN 0.330 nan 8.150 nan 0.000 0.443 174 L N -1.160 119.890 121.223 -0.289 0.000 2.141 174 L HA -0.142 4.197 4.340 -0.000 0.000 0.209 174 L C 2.831 179.708 176.870 0.012 0.000 1.094 174 L CA 1.022 55.819 54.840 -0.071 0.000 0.763 174 L CB -0.427 41.649 42.059 0.029 0.000 0.908 174 L HN 0.373 nan 8.230 nan 0.000 0.437 175 R N -0.288 120.178 120.500 -0.058 0.000 2.075 175 R HA -0.170 4.170 4.340 -0.000 0.000 0.232 175 R C 1.968 178.277 176.300 0.016 0.000 1.126 175 R CA 1.470 57.555 56.100 -0.025 0.000 0.963 175 R CB -0.402 29.858 30.300 -0.066 0.000 0.858 175 R HN 0.321 nan 8.270 nan 0.000 0.435 176 D N 0.188 120.580 120.400 -0.014 0.000 2.097 176 D HA -0.201 4.438 4.640 -0.000 0.000 0.195 176 D C 1.621 178.053 176.300 0.220 0.000 0.989 176 D CA 0.946 55.005 54.000 0.098 0.000 0.827 176 D CB -0.151 40.738 40.800 0.148 0.000 0.966 176 D HN 0.163 nan 8.370 nan 0.000 0.456 177 W N 1.871 123.168 121.300 -0.005 0.000 2.350 177 W HA -0.130 4.530 4.660 0.000 0.000 0.289 177 W C 2.571 179.209 176.519 0.198 0.000 1.215 177 W CA 2.366 59.758 57.345 0.079 0.000 1.236 177 W CB -0.805 28.654 29.460 -0.001 0.000 1.130 177 W HN 0.099 nan 8.180 nan 0.000 0.541 178 S N -1.339 114.467 115.700 0.177 0.000 2.595 178 S HA 0.042 4.512 4.470 -0.000 0.000 0.235 178 S C 1.685 176.419 174.600 0.224 0.000 0.974 178 S CA 1.102 59.356 58.200 0.090 0.000 0.942 178 S CB -0.492 62.730 63.200 0.038 0.000 0.766 178 S HN 0.233 nan 8.310 nan 0.000 0.536 179 G N 0.323 109.240 108.800 0.194 0.000 3.146 179 G HA2 0.276 4.236 3.960 -0.000 0.000 0.238 179 G HA3 0.276 4.236 3.960 -0.000 0.000 0.238 179 G C 0.866 175.748 174.900 -0.031 0.000 1.022 179 G CA 0.331 45.493 45.100 0.104 0.000 0.880 179 G HN 0.688 nan 8.290 nan 0.000 0.533 180 S N -0.142 115.565 115.700 0.013 0.000 2.780 180 S HA 0.099 4.568 4.470 -0.000 0.000 0.248 180 S C 1.746 176.300 174.600 -0.076 0.000 1.036 180 S CA 0.057 58.227 58.200 -0.049 0.000 1.061 180 S CB -0.664 62.599 63.200 0.105 0.000 1.037 180 S HN 0.449 nan 8.310 nan 0.000 0.584 181 Y N 1.770 122.043 120.300 -0.045 0.000 2.348 181 Y HA -0.019 4.530 4.550 -0.001 0.000 0.285 181 Y C 2.245 178.163 175.900 0.030 0.000 1.173 181 Y CA 1.041 59.065 58.100 -0.128 0.000 1.263 181 Y CB -1.635 36.465 38.460 -0.601 0.000 0.974 181 Y HN 0.372 nan 8.280 nan 0.000 0.547 182 E N 1.232 121.144 120.200 -0.479 0.000 2.110 182 E HA -0.146 4.203 4.350 -0.000 0.000 0.193 182 E C 2.003 178.588 176.600 -0.025 0.000 0.988 182 E CA 2.240 58.511 56.400 -0.215 0.000 0.804 182 E CB -1.223 28.294 29.700 -0.304 0.000 0.745 182 E HN 0.748 nan 8.360 nan 0.000 0.458 183 T N -4.494 110.061 114.554 0.000 0.000 2.971 183 T HA 0.663 5.013 4.350 -0.000 0.000 0.252 183 T C 0.832 175.621 174.700 0.149 0.000 1.022 183 T CA 0.533 62.672 62.100 0.066 0.000 0.980 183 T CB 0.596 69.484 68.868 0.033 0.000 1.044 183 T HN 0.717 nan 8.240 nan 0.000 0.501 184 A N 1.128 124.088 122.820 0.233 0.000 2.355 184 A HA 0.724 5.044 4.320 -0.000 0.000 0.324 184 A C -1.126 176.775 177.584 0.528 0.000 1.117 184 A CA -0.742 51.487 52.037 0.320 0.000 0.785 184 A CB 0.972 20.148 19.000 0.295 0.000 1.254 184 A HN 0.574 nan 8.150 nan 0.000 0.453 185 H N 0.445 119.696 119.070 0.302 0.000 2.457 185 H HA 0.517 5.073 4.556 -0.000 0.000 0.335 185 H C -1.667 173.649 175.328 -0.020 0.000 1.115 185 H CA -0.599 55.607 56.048 0.264 0.000 1.219 185 H CB 0.950 30.822 29.762 0.182 0.000 1.471 185 H HN 0.559 nan 8.280 nan 0.000 0.491 186 Y N 5.893 125.304 120.300 -1.482 0.000 2.477 186 Y HA 0.221 4.770 4.550 -0.000 0.000 0.349 186 Y C -0.544 174.742 175.900 -1.023 0.000 0.977 186 Y CA -1.335 55.989 58.100 -1.294 0.000 1.214 186 Y CB 0.332 37.695 38.460 -1.827 0.000 1.124 186 Y HN 0.784 nan 8.280 nan 0.000 0.521 187 M N 8.808 128.084 119.600 -0.539 0.000 2.923 187 M HA 0.269 4.749 4.480 -0.000 0.000 0.311 187 M C -1.193 174.841 176.300 -0.443 0.000 1.376 187 M CA -0.262 54.862 55.300 -0.294 0.000 1.468 187 M CB -0.326 32.306 32.600 0.053 0.000 1.151 187 M HN 0.753 nan 8.290 nan 0.000 0.517 188 L N 2.828 123.392 121.223 -1.098 0.000 2.485 188 L HA 0.188 4.528 4.340 -0.000 0.000 0.275 188 L C 1.193 177.675 176.870 -0.647 0.000 1.207 188 L CA 0.277 54.457 54.840 -1.101 0.000 0.855 188 L CB 0.921 42.061 42.059 -1.531 0.000 1.114 188 L HN 0.807 nan 8.230 nan 0.000 0.485 189 G N 2.021 110.342 108.800 -0.799 0.000 3.088 189 G HA2 0.080 4.040 3.960 -0.000 0.000 0.217 189 G HA3 0.080 4.040 3.960 -0.000 0.000 0.217 189 G C 0.311 174.837 174.900 -0.624 0.000 1.159 189 G CA 0.407 44.729 45.100 -1.297 0.000 0.760 189 G HN 0.577 nan 8.290 nan 0.000 0.550 190 T N -1.421 112.870 114.554 -0.440 0.000 2.812 190 T HA 0.546 4.896 4.350 -0.000 0.000 0.294 190 T C -0.433 174.128 174.700 -0.232 0.000 1.159 190 T CA 0.174 62.085 62.100 -0.315 0.000 1.008 190 T CB 1.439 70.049 68.868 -0.430 0.000 1.289 190 T HN 0.180 nan 8.240 nan 0.000 0.514 191 A N 1.304 124.031 122.820 -0.156 0.000 3.074 191 A HA 0.700 5.020 4.320 -0.000 0.000 0.251 191 A C 0.526 178.056 177.584 -0.091 0.000 1.695 191 A CA 0.345 52.322 52.037 -0.100 0.000 1.343 191 A CB -1.571 17.390 19.000 -0.066 0.000 1.078 191 A HN 1.135 nan 8.150 nan 0.000 0.644 192 A N -0.725 122.026 122.820 -0.114 0.000 2.535 192 A HA 0.969 5.289 4.320 -0.000 0.000 0.296 192 A C 0.479 178.045 177.584 -0.029 0.000 1.248 192 A CA -0.060 51.965 52.037 -0.019 0.000 0.686 192 A CB 0.131 19.098 19.000 -0.056 0.000 1.315 192 A HN 2.321 nan 8.150 nan 0.000 0.460 193 G N -1.389 107.412 108.800 0.001 0.000 2.698 193 G HA2 0.085 4.045 3.960 -0.000 0.000 0.225 193 G HA3 0.085 4.045 3.960 -0.000 0.000 0.225 193 G C -3.052 171.751 174.900 -0.161 0.000 1.345 193 G CA -0.215 44.616 45.100 -0.448 0.000 0.871 193 G HN 1.012 nan 8.290 nan 0.000 0.540 194 P HA 0.275 nan 4.420 nan 0.000 0.274 194 P C -0.186 177.181 177.300 0.112 0.000 1.231 194 P CA -0.064 63.051 63.100 0.025 0.000 0.790 194 P CB 0.757 32.479 31.700 0.038 0.000 0.951 195 H N 4.185 123.231 119.070 -0.040 0.000 2.871 195 H HA 0.051 4.607 4.556 -0.000 0.000 0.355 195 H C -1.347 173.923 175.328 -0.096 0.000 1.092 195 H CA -0.680 55.319 56.048 -0.082 0.000 1.420 195 H CB 0.342 30.017 29.762 -0.145 0.000 1.400 195 H HN 0.264 nan 8.280 nan 0.000 0.604 196 P HA -0.058 nan 4.420 nan 0.000 0.257 196 P C 0.394 177.332 177.300 -0.605 0.000 1.281 196 P CA 0.488 62.963 63.100 -1.042 0.000 0.826 196 P CB 0.021 31.098 31.700 -1.038 0.000 1.237 197 Y N 1.505 121.619 120.300 -0.310 0.000 2.128 197 Y HA -0.117 4.433 4.550 -0.000 0.000 0.284 197 Y C -0.165 175.595 175.900 -0.232 0.000 1.154 197 Y CA 2.004 59.931 58.100 -0.289 0.000 1.149 197 Y CB -2.482 35.817 38.460 -0.269 0.000 0.976 197 Y HN 0.171 nan 8.280 nan 0.000 0.505 198 P HA -0.145 nan 4.420 nan 0.000 0.216 198 P C 1.533 178.830 177.300 -0.005 0.000 1.150 198 P CA 2.388 65.504 63.100 0.026 0.000 0.837 198 P CB -0.063 31.723 31.700 0.145 0.000 0.786 199 T N -0.831 113.728 114.554 0.009 0.000 2.770 199 T HA -0.047 4.302 4.350 -0.000 0.000 0.263 199 T C 1.772 176.258 174.700 -0.357 0.000 1.039 199 T CA 0.965 63.037 62.100 -0.047 0.000 1.142 199 T CB -0.826 68.038 68.868 -0.007 0.000 0.868 199 T HN 0.048 nan 8.240 nan 0.000 0.435 200 I N 0.951 121.089 120.570 -0.721 0.000 2.226 200 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 200 I C 2.433 178.167 176.117 -0.638 0.000 1.100 200 I CA 0.978 61.584 61.300 -1.157 0.000 1.374 200 I CB -0.390 36.897 38.000 -1.187 0.000 1.057 200 I HN 0.092 nan 8.210 nan 0.000 0.413 201 V N 0.813 120.551 119.914 -0.292 0.000 2.358 201 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 201 V C 2.617 178.709 176.094 -0.003 0.000 1.047 201 V CA 1.840 64.095 62.300 -0.076 0.000 1.035 201 V CB -0.809 30.986 31.823 -0.046 0.000 0.658 201 V HN 0.428 nan 8.190 nan 0.000 0.452 202 R N 0.168 120.643 120.500 -0.042 0.000 2.073 202 R HA -0.180 4.159 4.340 -0.000 0.000 0.234 202 R C 2.289 178.644 176.300 0.091 0.000 1.134 202 R CA 1.757 57.870 56.100 0.021 0.000 0.952 202 R CB -0.207 30.096 30.300 0.007 0.000 0.850 202 R HN 0.444 nan 8.270 nan 0.000 0.433 203 E N 0.001 120.237 120.200 0.061 0.000 2.153 203 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 203 E C 1.529 178.385 176.600 0.427 0.000 0.988 203 E CA 0.887 57.407 56.400 0.200 0.000 0.811 203 E CB -0.103 29.750 29.700 0.254 0.000 0.746 203 E HN 0.348 nan 8.360 nan 0.000 0.466 204 F N 0.379 120.487 119.950 0.264 0.000 2.797 204 F HA 0.105 4.631 4.527 -0.000 0.000 0.302 204 F C 1.730 177.710 175.800 0.301 0.000 1.130 204 F CA 0.349 58.572 58.000 0.373 0.000 1.387 204 F CB 0.215 39.385 39.000 0.284 0.000 1.107 204 F HN -0.060 nan 8.300 nan 0.000 0.577 205 Q N -0.441 119.574 119.800 0.358 0.000 2.164 205 Q HA 0.107 4.447 4.340 -0.000 0.000 0.226 205 Q C 2.034 178.142 176.000 0.180 0.000 0.813 205 Q CA -0.013 55.938 55.803 0.247 0.000 0.978 205 Q CB 0.351 29.206 28.738 0.196 0.000 1.149 205 Q HN 0.494 nan 8.270 nan 0.000 0.489 206 R N 0.749 121.362 120.500 0.188 0.000 2.285 206 R HA -0.029 4.311 4.340 -0.000 0.000 0.213 206 R C 1.860 178.212 176.300 0.086 0.000 1.068 206 R CA 0.884 57.061 56.100 0.128 0.000 1.004 206 R CB -0.354 30.023 30.300 0.129 0.000 0.873 206 R HN 0.068 nan 8.270 nan 0.000 0.467 207 M N 0.363 120.014 119.600 0.084 0.000 2.374 207 M HA -0.037 4.443 4.480 -0.000 0.000 0.264 207 M C 1.684 178.006 176.300 0.036 0.000 1.067 207 M CA 1.392 56.710 55.300 0.031 0.000 1.103 207 M CB -0.803 31.789 32.600 -0.013 0.000 1.402 207 M HN 0.191 nan 8.290 nan 0.000 0.444 208 I N 1.566 122.177 120.570 0.068 0.000 2.127 208 I HA -0.193 3.977 4.170 -0.000 0.000 0.241 208 I C 2.827 178.998 176.117 0.091 0.000 1.075 208 I CA 1.677 63.024 61.300 0.078 0.000 1.334 208 I CB -1.192 36.861 38.000 0.088 0.000 1.040 208 I HN 0.431 nan 8.210 nan 0.000 0.405 209 G N -0.004 108.854 108.800 0.096 0.000 2.408 209 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 209 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 209 G C 1.511 176.342 174.900 -0.115 0.000 1.150 209 G CA 0.441 45.596 45.100 0.091 0.000 0.776 209 G HN 0.402 nan 8.290 nan 0.000 0.542 210 E N 0.392 120.534 120.200 -0.096 0.000 2.058 210 E HA -0.126 4.223 4.350 -0.000 0.000 0.194 210 E C 2.425 178.984 176.600 -0.069 0.000 0.997 210 E CA 1.180 57.509 56.400 -0.118 0.000 0.801 210 E CB -0.092 29.572 29.700 -0.060 0.000 0.746 210 E HN 0.549 nan 8.360 nan 0.000 0.450 211 E N -0.028 120.160 120.200 -0.019 0.000 2.072 211 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 211 E C 2.171 178.784 176.600 0.022 0.000 0.985 211 E CA 1.390 57.790 56.400 -0.001 0.000 0.801 211 E CB -0.027 29.680 29.700 0.011 0.000 0.750 211 E HN 0.160 nan 8.360 nan 0.000 0.452 212 T N 1.275 115.870 114.554 0.068 0.000 2.720 212 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 212 T C 1.809 176.607 174.700 0.164 0.000 1.037 212 T CA 1.520 63.700 62.100 0.134 0.000 1.144 212 T CB -0.124 68.902 68.868 0.264 0.000 0.864 212 T HN 0.132 nan 8.240 nan 0.000 0.444 213 K N 1.014 121.493 120.400 0.132 0.000 2.026 213 K HA -0.021 4.299 4.320 -0.000 0.000 0.208 213 K C 2.533 179.155 176.600 0.037 0.000 1.048 213 K CA 1.238 57.591 56.287 0.110 0.000 0.929 213 K CB -0.333 32.042 32.500 -0.210 0.000 0.713 213 K HN 0.269 nan 8.250 nan 0.000 0.439 214 A N 1.141 123.957 122.820 -0.007 0.000 1.877 214 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 214 A C 2.050 179.626 177.584 -0.013 0.000 1.186 214 A CA 1.621 53.650 52.037 -0.012 0.000 0.620 214 A CB -0.572 18.417 19.000 -0.019 0.000 0.822 214 A HN 0.504 nan 8.150 nan 0.000 0.443 215 Q N -1.329 118.462 119.800 -0.015 0.000 2.079 215 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 215 Q C 1.996 177.936 176.000 -0.099 0.000 0.974 215 Q CA 1.451 57.230 55.803 -0.041 0.000 0.840 215 Q CB -0.256 28.464 28.738 -0.031 0.000 0.898 215 Q HN 0.658 nan 8.270 nan 0.000 0.430 216 I N 0.242 120.747 120.570 -0.109 0.000 2.439 216 I HA -0.185 3.985 4.170 -0.000 0.000 0.251 216 I C 1.687 177.744 176.117 -0.100 0.000 1.139 216 I CA 0.975 62.156 61.300 -0.197 0.000 1.438 216 I CB 0.104 38.001 38.000 -0.172 0.000 1.085 216 I HN 0.147 nan 8.210 nan 0.000 0.427 217 L N -0.117 121.086 121.223 -0.034 0.000 2.093 217 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 217 L C 2.157 179.015 176.870 -0.019 0.000 1.085 217 L CA 1.729 56.561 54.840 -0.013 0.000 0.755 217 L CB -0.717 41.344 42.059 0.005 0.000 0.904 217 L HN 0.279 nan 8.230 nan 0.000 0.435 218 D N 0.239 120.624 120.400 -0.024 0.000 2.117 218 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 218 D C 2.098 178.391 176.300 -0.012 0.000 0.987 218 D CA 1.481 55.473 54.000 -0.014 0.000 0.829 218 D CB 0.205 40.998 40.800 -0.012 0.000 0.961 218 D HN 0.128 nan 8.370 nan 0.000 0.460 219 K N -0.668 119.712 120.400 -0.034 0.000 2.186 219 K HA 0.059 4.378 4.320 -0.000 0.000 0.202 219 K C 1.529 178.139 176.600 0.017 0.000 1.052 219 K CA 0.781 57.065 56.287 -0.004 0.000 0.965 219 K CB 0.319 32.809 32.500 -0.016 0.000 0.746 219 K HN 0.091 nan 8.250 nan 0.000 0.457 220 E N -0.953 119.235 120.200 -0.019 0.000 2.514 220 E HA 0.086 4.436 4.350 -0.000 0.000 0.215 220 E C 0.755 177.359 176.600 0.007 0.000 0.946 220 E CA 0.486 56.892 56.400 0.011 0.000 1.038 220 E CB 1.401 31.101 29.700 -0.000 0.000 1.069 220 E HN 0.359 nan 8.360 nan 0.000 0.503 221 G N 2.956 111.755 108.800 -0.002 0.000 2.160 221 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.251 221 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.251 221 G C 0.255 175.159 174.900 0.007 0.000 1.008 221 G CA 1.073 46.175 45.100 0.004 0.000 0.724 221 G HN 0.355 nan 8.290 nan 0.000 0.514 222 R N -2.015 118.488 120.500 0.004 0.000 2.728 222 R HA 0.743 5.083 4.340 -0.000 0.000 0.274 222 R C -0.506 175.802 176.300 0.013 0.000 1.030 222 R CA -1.343 54.764 56.100 0.011 0.000 0.876 222 R CB 0.741 31.047 30.300 0.009 0.000 1.259 222 R HN 0.126 nan 8.270 nan 0.000 0.468 223 L N 0.798 122.037 121.223 0.027 0.000 2.456 223 L HA 0.503 4.843 4.340 -0.000 0.000 0.257 223 L C -1.970 174.882 176.870 -0.031 0.000 1.162 223 L CA -2.259 52.604 54.840 0.039 0.000 0.808 223 L CB 0.742 42.853 42.059 0.087 0.000 1.136 223 L HN 0.445 nan 8.230 nan 0.000 0.466 224 P HA 0.054 nan 4.420 nan 0.000 0.272 224 P C -0.352 176.873 177.300 -0.125 0.000 1.230 224 P CA -0.292 62.730 63.100 -0.130 0.000 0.788 224 P CB 0.631 32.192 31.700 -0.231 0.000 0.949 225 D N -0.240 120.108 120.400 -0.087 0.000 2.194 225 D HA 0.096 4.736 4.640 -0.000 0.000 0.204 225 D C 0.493 176.725 176.300 -0.113 0.000 0.964 225 D CA 1.222 55.175 54.000 -0.079 0.000 0.846 225 D CB 0.261 41.032 40.800 -0.048 0.000 0.962 225 D HN 0.417 nan 8.370 nan 0.000 0.490 226 A N 0.048 122.789 122.820 -0.132 0.000 2.589 226 A HA 0.502 4.822 4.320 -0.000 0.000 0.296 226 A C -1.053 176.433 177.584 -0.162 0.000 1.062 226 A CA -0.749 51.195 52.037 -0.154 0.000 0.686 226 A CB 1.545 20.489 19.000 -0.092 0.000 1.282 226 A HN -0.052 nan 8.150 nan 0.000 0.404 227 V N -0.414 119.387 119.914 -0.189 0.000 2.555 227 V HA 0.910 5.029 4.120 -0.000 0.000 0.302 227 V C -0.649 175.477 176.094 0.053 0.000 1.038 227 V CA -0.673 61.570 62.300 -0.095 0.000 0.887 227 V CB 1.083 32.809 31.823 -0.162 0.000 0.991 227 V HN 0.695 nan 8.190 nan 0.000 0.434 228 I N 3.822 124.454 120.570 0.103 0.000 2.498 228 I HA 0.923 5.093 4.170 -0.000 0.000 0.290 228 I C 0.116 176.308 176.117 0.124 0.000 1.032 228 I CA -0.638 60.743 61.300 0.134 0.000 1.073 228 I CB 2.020 40.086 38.000 0.109 0.000 1.251 228 I HN 1.044 nan 8.210 nan 0.000 0.426 229 A N 3.961 126.847 122.820 0.110 0.000 2.574 229 A HA 0.686 5.006 4.320 -0.000 0.000 0.297 229 A C -0.457 177.107 177.584 -0.034 0.000 1.062 229 A CA -0.734 51.301 52.037 -0.002 0.000 0.686 229 A CB 1.064 19.986 19.000 -0.130 0.000 1.285 229 A HN 0.956 nan 8.150 nan 0.000 0.403 230 C N 0.537 119.810 119.300 -0.045 0.000 2.656 230 C HA 0.738 5.198 4.460 -0.000 0.000 0.391 230 C C 0.157 175.071 174.990 -0.127 0.000 1.300 230 C CA -0.489 58.498 59.018 -0.052 0.000 2.302 230 C CB -0.259 27.462 27.740 -0.030 0.000 2.655 230 C HN 0.730 nan 8.230 nan 0.000 0.656 231 V N 3.857 123.698 119.914 -0.122 0.000 2.419 231 V HA 0.572 4.691 4.120 -0.000 0.000 0.287 231 V C 0.824 176.845 176.094 -0.122 0.000 1.017 231 V CA 0.665 62.862 62.300 -0.172 0.000 0.844 231 V CB 0.742 32.446 31.823 -0.199 0.000 1.011 231 V HN 1.277 nan 8.190 nan 0.000 0.429 232 G N 3.259 112.001 108.800 -0.097 0.000 2.688 232 G HA2 0.257 4.217 3.960 -0.000 0.000 0.214 232 G HA3 0.257 4.217 3.960 -0.000 0.000 0.214 232 G C 1.214 176.139 174.900 0.042 0.000 1.211 232 G CA 0.931 46.013 45.100 -0.030 0.000 0.853 232 G HN 0.811 nan 8.290 nan 0.000 0.591 233 G N -1.248 107.520 108.800 -0.054 0.000 2.743 233 G HA2 0.401 4.361 3.960 -0.000 0.000 0.206 233 G HA3 0.401 4.361 3.960 -0.000 0.000 0.206 233 G C 1.052 175.890 174.900 -0.104 0.000 1.115 233 G CA 0.868 45.866 45.100 -0.171 0.000 0.782 233 G HN 1.656 nan 8.290 nan 0.000 0.524 234 G N 0.045 108.784 108.800 -0.103 0.000 2.205 234 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.180 234 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.180 234 G C 1.495 176.439 174.900 0.073 0.000 1.004 234 G CA 1.019 46.102 45.100 -0.028 0.000 0.670 234 G HN 1.154 nan 8.290 nan 0.000 0.496 235 S N 1.391 117.084 115.700 -0.012 0.000 2.357 235 S HA -0.135 4.335 4.470 -0.000 0.000 0.221 235 S C 2.180 176.763 174.600 -0.029 0.000 1.031 235 S CA 1.685 59.898 58.200 0.022 0.000 0.982 235 S CB -0.583 62.664 63.200 0.079 0.000 0.853 235 S HN 0.926 nan 8.310 nan 0.000 0.458 236 N N 2.884 121.450 118.700 -0.223 0.000 2.244 236 N HA -0.050 4.690 4.740 -0.000 0.000 0.183 236 N C 1.905 177.235 175.510 -0.300 0.000 1.016 236 N CA 1.316 54.090 53.050 -0.461 0.000 0.866 236 N CB -0.557 37.278 38.487 -1.087 0.000 0.980 236 N HN 0.560 nan 8.380 nan 0.000 0.430 237 A N 1.266 123.890 122.820 -0.326 0.000 1.897 237 A HA 0.007 4.327 4.320 -0.000 0.000 0.215 237 A C 2.211 179.401 177.584 -0.658 0.000 1.181 237 A CA 0.766 52.459 52.037 -0.574 0.000 0.620 237 A CB -0.586 18.030 19.000 -0.640 0.000 0.821 237 A HN 0.279 nan 8.150 nan 0.000 0.443 238 I N 0.120 120.560 120.570 -0.218 0.000 2.546 238 I HA -0.042 4.128 4.170 -0.000 0.000 0.255 238 I C 2.253 178.351 176.117 -0.030 0.000 1.163 238 I CA 1.164 62.382 61.300 -0.137 0.000 1.457 238 I CB -0.401 37.511 38.000 -0.147 0.000 1.092 238 I HN 0.237 nan 8.210 nan 0.000 0.434 239 G N 0.084 108.868 108.800 -0.026 0.000 2.408 239 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 239 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 239 G C 1.600 176.549 174.900 0.082 0.000 1.150 239 G CA 1.038 46.168 45.100 0.050 0.000 0.776 239 G HN 0.381 nan 8.290 nan 0.000 0.542 240 M N -0.074 119.556 119.600 0.050 0.000 2.156 240 M HA 0.240 4.720 4.480 -0.000 0.000 0.264 240 M C 1.948 178.517 176.300 0.449 0.000 1.067 240 M CA 1.012 56.434 55.300 0.203 0.000 1.131 240 M CB -0.443 32.244 32.600 0.145 0.000 1.368 240 M HN 0.089 nan 8.290 nan 0.000 0.416 241 F N 0.633 120.706 119.950 0.206 0.000 2.186 241 F HA 0.104 4.631 4.527 -0.000 0.000 0.299 241 F C 2.557 178.481 175.800 0.207 0.000 1.090 241 F CA 0.673 58.812 58.000 0.232 0.000 1.307 241 F CB -2.030 37.061 39.000 0.151 0.000 1.019 241 F HN 0.283 nan 8.300 nan 0.000 0.489 242 A N 0.271 123.282 122.820 0.319 0.000 1.884 242 A HA -0.321 3.999 4.320 -0.000 0.000 0.219 242 A C 1.964 179.612 177.584 0.107 0.000 1.197 242 A CA 2.446 54.594 52.037 0.186 0.000 0.637 242 A CB -1.286 17.790 19.000 0.126 0.000 0.827 242 A HN 0.325 nan 8.150 nan 0.000 0.450 243 D N -2.349 118.045 120.400 -0.010 0.000 2.348 243 D HA -0.009 4.631 4.640 -0.000 0.000 0.216 243 D C 0.928 177.058 176.300 -0.284 0.000 0.970 243 D CA 0.659 54.545 54.000 -0.190 0.000 0.889 243 D CB -0.141 40.454 40.800 -0.341 0.000 0.912 243 D HN 0.443 nan 8.370 nan 0.000 0.524 244 F N -0.590 119.406 119.950 0.075 0.000 2.721 244 F HA 0.313 4.840 4.527 -0.000 0.000 0.301 244 F C 1.734 177.546 175.800 0.021 0.000 1.096 244 F CA -0.232 57.792 58.000 0.039 0.000 1.308 244 F CB -0.047 38.970 39.000 0.028 0.000 1.086 244 F HN -0.032 nan 8.300 nan 0.000 0.587 245 I N 0.443 121.125 120.570 0.187 0.000 2.194 245 I HA -0.347 3.823 4.170 -0.000 0.000 0.246 245 I C 1.492 177.666 176.117 0.096 0.000 1.093 245 I CA 1.328 62.703 61.300 0.125 0.000 1.355 245 I CB -0.304 37.777 38.000 0.134 0.000 1.046 245 I HN 0.116 nan 8.210 nan 0.000 0.413 246 N N 0.382 119.135 118.700 0.089 0.000 2.461 246 N HA -0.025 4.714 4.740 -0.000 0.000 0.188 246 N C -0.273 175.278 175.510 0.068 0.000 1.134 246 N CA 0.617 53.709 53.050 0.069 0.000 0.878 246 N CB -0.164 38.357 38.487 0.056 0.000 0.972 246 N HN 0.296 nan 8.380 nan 0.000 0.456 247 D N 0.408 120.866 120.400 0.097 0.000 2.500 247 D HA 0.041 4.681 4.640 -0.000 0.000 0.219 247 D C 1.226 177.565 176.300 0.066 0.000 1.137 247 D CA 0.033 54.092 54.000 0.100 0.000 0.946 247 D CB 0.726 41.636 40.800 0.184 0.000 1.022 247 D HN 0.211 nan 8.370 nan 0.000 0.518 248 T N -1.812 112.765 114.554 0.038 0.000 2.897 248 T HA -0.221 4.129 4.350 -0.000 0.000 0.271 248 T C 1.835 176.532 174.700 -0.005 0.000 1.084 248 T CA 1.342 63.450 62.100 0.013 0.000 1.123 248 T CB -0.064 68.811 68.868 0.011 0.000 0.865 248 T HN 0.230 nan 8.240 nan 0.000 0.496 249 S N 0.233 115.935 115.700 0.002 0.000 2.522 249 S HA 0.176 4.645 4.470 -0.000 0.000 0.227 249 S C 0.609 175.185 174.600 -0.040 0.000 0.986 249 S CA -0.409 57.782 58.200 -0.015 0.000 0.929 249 S CB -0.458 62.739 63.200 -0.004 0.000 0.769 249 S HN 0.377 nan 8.310 nan 0.000 0.529 250 V N 2.594 122.481 119.914 -0.044 0.000 2.385 250 V HA 0.598 4.718 4.120 -0.000 0.000 0.269 250 V C 1.072 177.070 176.094 -0.159 0.000 1.043 250 V CA -0.493 61.737 62.300 -0.116 0.000 0.906 250 V CB 0.467 32.206 31.823 -0.141 0.000 0.995 250 V HN 0.448 nan 8.190 nan 0.000 0.467 251 G N 5.328 114.024 108.800 -0.174 0.000 2.441 251 G HA2 0.480 4.439 3.960 -0.000 0.000 0.243 251 G HA3 0.480 4.439 3.960 -0.000 0.000 0.243 251 G C -0.580 174.133 174.900 -0.311 0.000 1.281 251 G CA -0.407 44.572 45.100 -0.202 0.000 0.854 251 G HN 0.644 nan 8.290 nan 0.000 0.560 252 L N 2.607 123.564 121.223 -0.443 0.000 2.316 252 L HA 0.468 4.807 4.340 -0.000 0.000 0.280 252 L C -0.386 176.074 176.870 -0.683 0.000 1.006 252 L CA -0.460 53.869 54.840 -0.850 0.000 0.836 252 L CB 1.548 42.809 42.059 -1.331 0.000 1.221 252 L HN 0.321 nan 8.230 nan 0.000 0.418 253 I N 2.551 122.901 120.570 -0.366 0.000 2.410 253 I HA 0.480 4.650 4.170 -0.000 0.000 0.286 253 I C 0.484 176.593 176.117 -0.013 0.000 1.009 253 I CA -0.400 60.759 61.300 -0.235 0.000 1.111 253 I CB 1.995 39.920 38.000 -0.124 0.000 1.262 253 I HN 0.607 nan 8.210 nan 0.000 0.443 254 G N 5.401 114.066 108.800 -0.226 0.000 2.356 254 G HA2 0.608 4.568 3.960 -0.000 0.000 0.322 254 G HA3 0.608 4.568 3.960 -0.000 0.000 0.322 254 G C -0.845 174.057 174.900 0.005 0.000 1.125 254 G CA -0.370 44.728 45.100 -0.004 0.000 0.885 254 G HN 0.332 nan 8.290 nan 0.000 0.467 255 V N 2.611 122.537 119.914 0.020 0.000 2.350 255 V HA 0.309 4.429 4.120 -0.000 0.000 0.285 255 V C 0.009 176.118 176.094 0.025 0.000 1.014 255 V CA -0.775 61.533 62.300 0.014 0.000 0.831 255 V CB 1.033 32.883 31.823 0.044 0.000 1.000 255 V HN 0.803 nan 8.190 nan 0.000 0.433 256 E N 6.181 126.404 120.200 0.038 0.000 2.318 256 E HA 0.371 4.721 4.350 -0.000 0.000 0.265 256 E C -2.470 174.135 176.600 0.008 0.000 1.069 256 E CA -1.957 54.445 56.400 0.003 0.000 0.893 256 E CB 1.333 31.053 29.700 0.033 0.000 1.076 256 E HN 0.426 nan 8.360 nan 0.000 0.414 257 P HA 0.036 nan 4.420 nan 0.000 0.281 257 P C -0.047 177.300 177.300 0.078 0.000 1.252 257 P CA -0.031 63.038 63.100 -0.052 0.000 0.778 257 P CB 1.107 32.657 31.700 -0.251 0.000 0.895 258 G N 2.141 111.023 108.800 0.137 0.000 3.088 258 G HA2 0.295 4.255 3.960 -0.000 0.000 0.217 258 G HA3 0.295 4.255 3.960 -0.000 0.000 0.217 258 G C 0.944 175.935 174.900 0.151 0.000 1.159 258 G CA 0.476 45.636 45.100 0.099 0.000 0.760 258 G HN 0.803 nan 8.290 nan 0.000 0.550 259 G N 0.885 109.766 108.800 0.135 0.000 2.651 259 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.315 259 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.315 259 G C 0.885 175.873 174.900 0.147 0.000 1.258 259 G CA 0.567 45.755 45.100 0.147 0.000 1.002 259 G HN 0.396 nan 8.290 nan 0.000 0.551 260 H N 2.552 121.809 119.070 0.311 0.000 2.547 260 H HA 0.393 4.949 4.556 -0.000 0.000 0.266 260 H C 1.521 176.904 175.328 0.091 0.000 0.988 260 H CA 1.501 57.631 56.048 0.137 0.000 1.147 260 H CB -0.276 29.499 29.762 0.022 0.000 1.365 260 H HN 1.792 nan 8.280 nan 0.000 0.589 261 G N 0.231 109.143 108.800 0.186 0.000 2.653 261 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.656 261 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.656 261 G C 0.430 175.369 174.900 0.065 0.000 1.419 261 G CA -0.551 44.606 45.100 0.095 0.000 0.862 261 G HN -0.008 nan 8.290 nan 0.000 0.639 262 I N 1.501 122.026 120.570 -0.075 0.000 2.194 262 I HA -0.156 4.014 4.170 -0.000 0.000 0.246 262 I C 2.843 178.921 176.117 -0.065 0.000 1.093 262 I CA 2.353 63.504 61.300 -0.248 0.000 1.355 262 I CB -0.786 36.851 38.000 -0.605 0.000 1.046 262 I HN 0.863 nan 8.210 nan 0.000 0.413 263 E N 1.039 121.216 120.200 -0.040 0.000 2.338 263 E HA -0.193 4.156 4.350 -0.000 0.000 0.197 263 E C 1.720 178.344 176.600 0.041 0.000 1.007 263 E CA 1.634 58.034 56.400 0.001 0.000 0.849 263 E CB -0.986 28.712 29.700 -0.003 0.000 0.774 263 E HN 0.601 nan 8.360 nan 0.000 0.506 264 T N -3.239 111.359 114.554 0.072 0.000 3.088 264 T HA 0.271 4.620 4.350 -0.000 0.000 0.259 264 T C 1.650 176.399 174.700 0.082 0.000 1.122 264 T CA 0.980 63.123 62.100 0.072 0.000 1.095 264 T CB -0.213 68.712 68.868 0.095 0.000 0.930 264 T HN 0.376 nan 8.240 nan 0.000 0.508 265 G N 1.338 110.224 108.800 0.143 0.000 2.212 265 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.266 265 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.266 265 G C -0.040 174.852 174.900 -0.013 0.000 0.978 265 G CA 0.232 45.389 45.100 0.096 0.000 0.632 265 G HN 0.644 nan 8.290 nan 0.000 0.537 266 E N 0.995 121.252 120.200 0.096 0.000 2.136 266 E HA 0.494 4.843 4.350 -0.000 0.000 0.246 266 E C 0.328 177.087 176.600 0.266 0.000 1.017 266 E CA -0.091 56.371 56.400 0.103 0.000 0.883 266 E CB 0.148 29.903 29.700 0.091 0.000 1.199 266 E HN 0.882 nan 8.360 nan 0.000 0.447 267 H N -1.602 117.564 119.070 0.159 0.000 2.928 267 H HA 0.649 5.205 4.556 -0.000 0.000 0.285 267 H C -0.047 175.300 175.328 0.031 0.000 1.438 267 H CA -1.228 54.875 56.048 0.093 0.000 1.176 267 H CB 1.078 30.866 29.762 0.043 0.000 1.864 267 H HN 0.165 nan 8.280 nan 0.000 0.567 268 G N -0.989 107.951 108.800 0.234 0.000 4.904 268 G HA2 0.542 4.501 3.960 -0.000 0.000 0.265 268 G HA3 0.542 4.501 3.960 -0.000 0.000 0.265 268 G C -0.639 174.371 174.900 0.183 0.000 1.227 268 G CA -0.025 45.142 45.100 0.113 0.000 0.926 268 G HN 0.855 nan 8.290 nan 0.000 0.581 269 A N 1.781 124.851 122.820 0.417 0.000 3.165 269 A HA 0.670 4.990 4.320 -0.000 0.000 0.331 269 A C -1.068 176.640 177.584 0.206 0.000 1.034 269 A CA -1.196 50.968 52.037 0.213 0.000 0.906 269 A CB 1.019 20.100 19.000 0.135 0.000 1.054 269 A HN 0.192 nan 8.150 nan 0.000 0.484 270 P HA -0.157 nan 4.420 nan 0.000 0.219 270 P C 1.608 178.906 177.300 -0.002 0.000 1.150 270 P CA 0.502 63.651 63.100 0.082 0.000 0.814 270 P CB 0.277 31.997 31.700 0.033 0.000 0.787 271 L N -0.523 120.657 121.223 -0.071 0.000 2.046 271 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 271 L C 2.153 178.918 176.870 -0.175 0.000 1.077 271 L CA 1.843 56.577 54.840 -0.178 0.000 0.747 271 L CB -0.260 41.598 42.059 -0.335 0.000 0.896 271 L HN -0.162 nan 8.230 nan 0.000 0.432 272 K N -1.724 118.560 120.400 -0.193 0.000 2.352 272 K HA 0.126 4.445 4.320 -0.000 0.000 0.194 272 K C 0.841 177.066 176.600 -0.625 0.000 1.038 272 K CA 0.533 56.590 56.287 -0.384 0.000 1.023 272 K CB 0.288 32.513 32.500 -0.458 0.000 0.840 272 K HN 0.478 nan 8.250 nan 0.000 0.519 273 H N -1.175 117.891 119.070 -0.007 0.000 3.230 273 H HA 0.269 4.825 4.556 -0.000 0.000 0.259 273 H C 0.818 176.199 175.328 0.088 0.000 1.195 273 H CA 0.005 56.064 56.048 0.018 0.000 1.112 273 H CB 1.070 30.782 29.762 -0.083 0.000 1.638 273 H HN 0.072 nan 8.280 nan 0.000 0.624 274 G N 0.533 109.408 108.800 0.125 0.000 2.736 274 G HA2 0.514 4.474 3.960 -0.000 0.000 0.229 274 G HA3 0.514 4.474 3.960 -0.000 0.000 0.229 274 G C -0.527 174.413 174.900 0.067 0.000 1.380 274 G CA -0.626 44.535 45.100 0.103 0.000 1.040 274 G HN 0.163 nan 8.290 nan 0.000 0.568 275 R N -1.384 119.151 120.500 0.058 0.000 2.626 275 R HA 0.462 4.801 4.340 -0.000 0.000 0.274 275 R C -1.096 175.249 176.300 0.076 0.000 1.031 275 R CA -0.611 55.526 56.100 0.063 0.000 0.898 275 R CB 2.099 32.430 30.300 0.051 0.000 1.222 275 R HN 0.364 nan 8.270 nan 0.000 0.455 276 V N 3.249 123.229 119.914 0.110 0.000 2.694 276 V HA 0.367 4.487 4.120 -0.000 0.000 0.306 276 V C 0.934 177.083 176.094 0.093 0.000 1.054 276 V CA 1.091 63.479 62.300 0.147 0.000 1.161 276 V CB 0.815 32.767 31.823 0.216 0.000 0.916 276 V HN 0.951 nan 8.190 nan 0.000 0.490 277 G N 4.115 112.969 108.800 0.089 0.000 2.788 277 G HA2 0.749 4.709 3.960 -0.000 0.000 0.293 277 G HA3 0.749 4.709 3.960 -0.000 0.000 0.293 277 G C -1.458 173.458 174.900 0.027 0.000 1.392 277 G CA -0.803 44.326 45.100 0.048 0.000 0.810 277 G HN 0.549 nan 8.290 nan 0.000 0.508 278 I N 0.734 121.299 120.570 -0.008 0.000 2.439 278 I HA 0.512 4.681 4.170 -0.000 0.000 0.285 278 I C -1.346 174.820 176.117 0.082 0.000 1.021 278 I CA -0.609 60.629 61.300 -0.103 0.000 1.091 278 I CB 1.841 39.631 38.000 -0.350 0.000 1.242 278 I HN 0.580 nan 8.210 nan 0.000 0.439 279 Y N 6.778 127.076 120.300 -0.003 0.000 2.662 279 Y HA 0.318 4.868 4.550 -0.000 0.000 0.334 279 Y C -0.266 175.768 175.900 0.223 0.000 1.185 279 Y CA -1.382 56.768 58.100 0.083 0.000 1.074 279 Y CB 1.007 39.494 38.460 0.044 0.000 1.330 279 Y HN 0.449 nan 8.280 nan 0.000 0.458 280 F N 3.681 122.913 119.950 -1.196 0.000 3.090 280 F HA -0.124 4.403 4.527 -0.000 0.000 0.282 280 F C 1.021 176.709 175.800 -0.186 0.000 0.923 280 F CA 2.250 59.791 58.000 -0.765 0.000 0.977 280 F CB -0.980 37.647 39.000 -0.622 0.000 0.954 280 F HN 1.585 nan 8.300 nan 0.000 0.695 281 G N 0.675 109.397 108.800 -0.130 0.000 2.162 281 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 281 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 281 G C 0.254 175.237 174.900 0.138 0.000 0.976 281 G CA 0.685 45.774 45.100 -0.018 0.000 0.655 281 G HN 1.470 nan 8.290 nan 0.000 0.533 282 M N -2.248 117.435 119.600 0.138 0.000 2.569 282 M HA 0.756 5.235 4.480 -0.000 0.000 0.279 282 M C -0.785 175.574 176.300 0.098 0.000 1.253 282 M CA -1.211 54.216 55.300 0.212 0.000 0.867 282 M CB 1.802 34.504 32.600 0.170 0.000 1.727 282 M HN -0.011 nan 8.290 nan 0.000 0.467 283 K N 1.601 122.092 120.400 0.152 0.000 2.253 283 K HA 0.819 5.138 4.320 -0.000 0.000 0.277 283 K C -1.508 175.286 176.600 0.323 0.000 1.053 283 K CA -0.103 56.256 56.287 0.120 0.000 0.892 283 K CB 1.059 33.671 32.500 0.186 0.000 1.102 283 K HN 0.866 nan 8.250 nan 0.000 0.469 284 A N 4.935 127.922 122.820 0.278 0.000 2.586 284 A HA 0.505 4.825 4.320 -0.000 0.000 0.290 284 A C -2.979 174.713 177.584 0.181 0.000 1.086 284 A CA -1.387 50.820 52.037 0.283 0.000 0.665 284 A CB 1.259 20.382 19.000 0.205 0.000 1.279 284 A HN 0.527 nan 8.150 nan 0.000 0.423 285 P HA 0.385 nan 4.420 nan 0.000 0.268 285 P C -0.485 176.842 177.300 0.045 0.000 1.204 285 P CA 0.486 63.615 63.100 0.049 0.000 0.768 285 P CB 0.351 32.023 31.700 -0.046 0.000 0.842 286 M N 0.336 119.960 119.600 0.040 0.000 2.618 286 M HA 0.565 5.044 4.480 -0.000 0.000 0.281 286 M C -0.942 175.352 176.300 -0.010 0.000 1.267 286 M CA -1.195 54.108 55.300 0.006 0.000 0.845 286 M CB 1.689 34.291 32.600 0.003 0.000 1.732 286 M HN -0.081 nan 8.290 nan 0.000 0.461 287 M N 3.188 122.756 119.600 -0.053 0.000 2.156 287 M HA 0.308 4.788 4.480 -0.000 0.000 0.345 287 M C -0.690 175.555 176.300 -0.091 0.000 1.398 287 M CA 0.534 55.793 55.300 -0.068 0.000 1.148 287 M CB -0.365 32.168 32.600 -0.112 0.000 1.663 287 M HN 0.758 nan 8.290 nan 0.000 0.464 288 Q N 1.351 121.115 119.800 -0.061 0.000 2.435 288 Q HA 0.638 4.978 4.340 -0.000 0.000 0.282 288 Q C -0.535 175.438 176.000 -0.046 0.000 1.020 288 Q CA -1.037 54.725 55.803 -0.069 0.000 0.820 288 Q CB 1.213 29.917 28.738 -0.057 0.000 1.436 288 Q HN 0.613 nan 8.270 nan 0.000 0.395 289 T N -1.643 112.880 114.554 -0.051 0.000 2.766 289 T HA 0.437 4.787 4.350 -0.000 0.000 0.295 289 T C 1.192 175.881 174.700 -0.019 0.000 1.024 289 T CA 0.011 62.090 62.100 -0.034 0.000 1.018 289 T CB 0.892 69.738 68.868 -0.037 0.000 1.002 289 T HN 0.801 nan 8.240 nan 0.000 0.532 290 A N 0.155 122.969 122.820 -0.010 0.000 2.067 290 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 290 A C 1.928 179.509 177.584 -0.004 0.000 1.158 290 A CA 1.352 53.388 52.037 -0.002 0.000 0.661 290 A CB -0.871 18.130 19.000 0.002 0.000 0.801 290 A HN 0.866 nan 8.150 nan 0.000 0.452 291 D N -1.520 118.874 120.400 -0.011 0.000 2.289 291 D HA 0.211 4.851 4.640 -0.000 0.000 0.207 291 D C 1.411 177.703 176.300 -0.013 0.000 0.966 291 D CA 1.416 55.410 54.000 -0.011 0.000 0.868 291 D CB 0.141 40.933 40.800 -0.014 0.000 0.943 291 D HN 0.567 nan 8.370 nan 0.000 0.514 292 G N 0.052 108.840 108.800 -0.021 0.000 2.143 292 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.175 292 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.175 292 G C 0.007 174.879 174.900 -0.047 0.000 1.004 292 G CA -0.440 44.645 45.100 -0.026 0.000 0.671 292 G HN 0.128 nan 8.290 nan 0.000 0.512 293 Q N 0.369 120.133 119.800 -0.059 0.000 2.259 293 Q HA 0.487 4.826 4.340 -0.000 0.000 0.249 293 Q C 0.685 176.606 176.000 -0.131 0.000 0.914 293 Q CA -0.433 55.318 55.803 -0.087 0.000 0.904 293 Q CB 1.468 30.165 28.738 -0.070 0.000 1.213 293 Q HN 0.328 nan 8.270 nan 0.000 0.428 294 I N 2.012 122.456 120.570 -0.210 0.000 2.441 294 I HA 0.148 4.318 4.170 -0.000 0.000 0.287 294 I C 0.808 176.784 176.117 -0.236 0.000 1.049 294 I CA 0.153 61.275 61.300 -0.298 0.000 1.381 294 I CB 0.213 37.848 38.000 -0.608 0.000 1.409 294 I HN 0.496 nan 8.210 nan 0.000 0.523 295 E N 4.384 124.465 120.200 -0.198 0.000 2.264 295 E HA 0.457 4.806 4.350 -0.000 0.000 0.260 295 E C -0.693 175.812 176.600 -0.160 0.000 0.961 295 E CA -0.831 55.477 56.400 -0.152 0.000 0.834 295 E CB 1.563 31.192 29.700 -0.119 0.000 1.230 295 E HN 0.478 nan 8.360 nan 0.000 0.412 296 E N 0.236 120.365 120.200 -0.118 0.000 2.283 296 E HA 0.313 4.663 4.350 -0.000 0.000 0.267 296 E C -0.907 175.637 176.600 -0.094 0.000 1.045 296 E CA -0.438 55.900 56.400 -0.104 0.000 0.884 296 E CB 1.401 31.065 29.700 -0.060 0.000 1.106 296 E HN 0.141 nan 8.360 nan 0.000 0.408 297 S N 1.169 116.814 115.700 -0.091 0.000 2.480 297 S HA 0.173 4.643 4.470 -0.000 0.000 0.286 297 S C -1.188 173.373 174.600 -0.065 0.000 1.180 297 S CA -0.491 57.659 58.200 -0.083 0.000 1.075 297 S CB 0.211 63.362 63.200 -0.082 0.000 0.996 297 S HN 0.368 nan 8.310 nan 0.000 0.487 298 Y N 2.879 123.123 120.300 -0.092 0.000 2.330 298 Y HA 0.641 5.191 4.550 -0.000 0.000 0.336 298 Y C -0.037 175.817 175.900 -0.078 0.000 1.036 298 Y CA -0.339 57.712 58.100 -0.082 0.000 1.125 298 Y CB 1.075 39.479 38.460 -0.093 0.000 1.194 298 Y HN 0.578 nan 8.280 nan 0.000 0.469 299 S N 6.012 120.768 115.700 -1.575 0.000 2.543 299 S HA 0.281 4.751 4.470 -0.000 0.000 0.274 299 S C 0.252 174.293 174.600 -0.933 0.000 1.149 299 S CA -0.738 56.792 58.200 -1.116 0.000 0.866 299 S CB 0.830 63.752 63.200 -0.463 0.000 1.111 299 S HN 0.957 nan 8.310 nan 0.000 0.457 300 I N 3.047 123.345 120.570 -0.455 0.000 2.454 300 I HA -0.012 4.158 4.170 -0.000 0.000 0.254 300 I C 0.773 176.841 176.117 -0.081 0.000 1.156 300 I CA 1.216 62.449 61.300 -0.113 0.000 1.433 300 I CB -0.130 37.882 38.000 0.020 0.000 1.082 300 I HN 0.688 nan 8.210 nan 0.000 0.432 301 S N 0.394 116.045 115.700 -0.081 0.000 2.475 301 S HA 0.499 4.969 4.470 -0.000 0.000 0.281 301 S C 1.003 175.551 174.600 -0.086 0.000 1.198 301 S CA -0.200 57.977 58.200 -0.039 0.000 1.063 301 S CB 1.743 64.954 63.200 0.018 0.000 0.972 301 S HN 0.296 nan 8.310 nan 0.000 0.486 302 A N 3.750 126.546 122.820 -0.039 0.000 2.019 302 A HA 0.157 4.477 4.320 -0.000 0.000 0.219 302 A C 2.000 179.569 177.584 -0.026 0.000 1.164 302 A CA 1.349 53.368 52.037 -0.031 0.000 0.644 302 A CB -1.235 17.768 19.000 0.005 0.000 0.805 302 A HN 1.110 nan 8.150 nan 0.000 0.449 303 G N -0.981 107.808 108.800 -0.018 0.000 2.712 303 G HA2 0.201 4.161 3.960 -0.000 0.000 0.212 303 G HA3 0.201 4.161 3.960 -0.000 0.000 0.212 303 G C 0.920 175.803 174.900 -0.029 0.000 1.142 303 G CA 0.195 45.292 45.100 -0.005 0.000 0.789 303 G HN 0.427 nan 8.290 nan 0.000 0.535 304 L N 1.787 122.959 121.223 -0.085 0.000 2.851 304 L HA 0.188 4.528 4.340 -0.000 0.000 0.237 304 L C 1.133 177.953 176.870 -0.083 0.000 1.257 304 L CA -0.176 54.596 54.840 -0.113 0.000 1.061 304 L CB 0.335 42.245 42.059 -0.250 0.000 1.372 304 L HN 0.180 nan 8.230 nan 0.000 0.493 305 D N -0.549 119.829 120.400 -0.037 0.000 2.348 305 D HA -0.148 4.492 4.640 -0.000 0.000 0.211 305 D C 0.748 177.062 176.300 0.023 0.000 0.998 305 D CA -0.287 53.696 54.000 -0.027 0.000 0.873 305 D CB -0.010 40.774 40.800 -0.027 0.000 0.925 305 D HN 0.099 nan 8.370 nan 0.000 0.524 306 F N 3.697 123.600 119.950 -0.078 0.000 2.557 306 F HA 0.126 4.653 4.527 -0.000 0.000 0.384 306 F C -1.363 174.409 175.800 -0.048 0.000 1.057 306 F CA -2.321 55.637 58.000 -0.071 0.000 1.169 306 F CB 0.815 39.776 39.000 -0.065 0.000 1.070 306 F HN -0.162 nan 8.300 nan 0.000 0.554 307 P HA -0.058 nan 4.420 nan 0.000 0.244 307 P C 0.077 177.200 177.300 -0.295 0.000 1.211 307 P CA 0.633 63.535 63.100 -0.329 0.000 0.760 307 P CB 0.387 31.901 31.700 -0.309 0.000 0.961 308 S N -1.601 113.861 115.700 -0.397 0.000 3.331 308 S HA 0.670 5.140 4.470 -0.000 0.000 0.316 308 S C -1.247 173.468 174.600 0.192 0.000 1.104 308 S CA -0.566 57.579 58.200 -0.092 0.000 0.977 308 S CB 1.315 64.481 63.200 -0.058 0.000 1.370 308 S HN -0.103 nan 8.310 nan 0.000 0.731 309 V N 0.186 120.270 119.914 0.284 0.000 3.147 309 V HA 0.692 4.812 4.120 -0.000 0.000 0.299 309 V C 0.041 176.250 176.094 0.193 0.000 1.302 309 V CA 0.030 62.459 62.300 0.215 0.000 1.015 309 V CB 1.285 33.108 31.823 -0.001 0.000 1.086 309 V HN 1.181 nan 8.190 nan 0.000 0.437 310 G N 4.521 113.407 108.800 0.144 0.000 2.484 310 G HA2 0.354 4.314 3.960 -0.000 0.000 0.235 310 G HA3 0.354 4.314 3.960 -0.000 0.000 0.235 310 G C -1.267 173.640 174.900 0.011 0.000 1.282 310 G CA -0.075 45.078 45.100 0.088 0.000 0.857 310 G HN 0.701 nan 8.290 nan 0.000 0.571 311 P HA -0.167 nan 4.420 nan 0.000 0.218 311 P C 1.391 178.616 177.300 -0.125 0.000 1.149 311 P CA 1.081 64.214 63.100 0.054 0.000 0.817 311 P CB 0.269 32.157 31.700 0.313 0.000 0.785 312 Q N -0.957 118.485 119.800 -0.596 0.000 2.167 312 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 312 Q C 2.314 178.140 176.000 -0.290 0.000 0.970 312 Q CA 1.168 56.501 55.803 -0.785 0.000 0.855 312 Q CB -0.320 27.663 28.738 -1.259 0.000 0.911 312 Q HN 0.341 nan 8.270 nan 0.000 0.438 313 H N -0.510 118.468 119.070 -0.153 0.000 2.357 313 H HA -0.055 4.501 4.556 -0.000 0.000 0.301 313 H C 1.972 177.124 175.328 -0.293 0.000 1.082 313 H CA 1.401 57.386 56.048 -0.105 0.000 1.342 313 H CB -0.205 29.433 29.762 -0.207 0.000 1.389 313 H HN 0.443 nan 8.280 nan 0.000 0.511 314 A N 0.835 123.466 122.820 -0.316 0.000 1.940 314 A HA -0.236 4.083 4.320 -0.000 0.000 0.219 314 A C 2.312 179.647 177.584 -0.416 0.000 1.176 314 A CA 1.628 53.263 52.037 -0.671 0.000 0.631 314 A CB -0.947 17.222 19.000 -1.384 0.000 0.814 314 A HN 0.476 nan 8.150 nan 0.000 0.446 315 Y N 0.438 120.652 120.300 -0.144 0.000 2.133 315 Y HA -0.099 4.451 4.550 -0.000 0.000 0.287 315 Y C 1.923 177.932 175.900 0.182 0.000 1.134 315 Y CA 1.707 59.965 58.100 0.262 0.000 1.133 315 Y CB -0.450 38.255 38.460 0.407 0.000 0.987 315 Y HN 0.193 nan 8.280 nan 0.000 0.502 316 L N 0.680 121.896 121.223 -0.011 0.000 2.127 316 L HA -0.270 4.070 4.340 -0.000 0.000 0.211 316 L C 2.557 179.447 176.870 0.034 0.000 1.089 316 L CA 1.792 56.608 54.840 -0.040 0.000 0.757 316 L CB -0.746 41.409 42.059 0.161 0.000 0.899 316 L HN 0.444 nan 8.230 nan 0.000 0.434 317 N N -0.106 118.673 118.700 0.133 0.000 2.106 317 N HA -0.206 4.534 4.740 -0.000 0.000 0.188 317 N C 2.111 177.648 175.510 0.045 0.000 1.029 317 N CA 1.641 54.789 53.050 0.163 0.000 0.848 317 N CB 0.094 38.611 38.487 0.050 0.000 1.007 317 N HN 0.358 nan 8.380 nan 0.000 0.423 318 S N 1.622 117.338 115.700 0.028 0.000 2.383 318 S HA -0.160 4.309 4.470 -0.000 0.000 0.229 318 S C 2.108 176.707 174.600 -0.000 0.000 1.030 318 S CA 1.345 59.591 58.200 0.077 0.000 1.002 318 S CB -0.905 62.454 63.200 0.264 0.000 0.829 318 S HN 0.572 nan 8.310 nan 0.000 0.467 319 I N -2.343 118.153 120.570 -0.122 0.000 3.684 319 I HA 0.501 4.671 4.170 -0.000 0.000 0.304 319 I C 1.522 177.597 176.117 -0.071 0.000 1.278 319 I CA 0.273 61.500 61.300 -0.123 0.000 1.272 319 I CB -0.756 37.097 38.000 -0.244 0.000 1.029 319 I HN 0.432 nan 8.210 nan 0.000 0.458 320 G N 2.422 111.194 108.800 -0.045 0.000 2.148 320 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.254 320 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.254 320 G C 0.980 175.850 174.900 -0.049 0.000 0.981 320 G CA 0.621 45.703 45.100 -0.030 0.000 0.670 320 G HN 0.517 nan 8.290 nan 0.000 0.528 321 R N 0.718 121.179 120.500 -0.065 0.000 2.093 321 R HA 0.559 4.899 4.340 -0.000 0.000 0.224 321 R C 1.375 177.603 176.300 -0.121 0.000 1.101 321 R CA 2.186 58.241 56.100 -0.075 0.000 0.979 321 R CB -0.262 30.002 30.300 -0.061 0.000 0.877 321 R HN 1.141 nan 8.270 nan 0.000 0.441 322 A N 0.046 122.807 122.820 -0.099 0.000 2.374 322 A HA 0.568 4.887 4.320 -0.000 0.000 0.317 322 A C -1.488 175.961 177.584 -0.224 0.000 1.094 322 A CA -0.868 51.024 52.037 -0.243 0.000 0.765 322 A CB 1.130 20.004 19.000 -0.211 0.000 1.268 322 A HN 0.288 nan 8.150 nan 0.000 0.438 323 D N 0.361 120.516 120.400 -0.408 0.000 2.248 323 D HA 0.531 5.171 4.640 -0.000 0.000 0.246 323 D C -1.482 174.502 176.300 -0.527 0.000 1.027 323 D CA 0.415 54.246 54.000 -0.280 0.000 0.853 323 D CB 1.514 42.209 40.800 -0.176 0.000 1.243 323 D HN 0.422 nan 8.370 nan 0.000 0.462 324 Y N -0.069 120.194 120.300 -0.061 0.000 2.446 324 Y HA 0.467 5.017 4.550 -0.000 0.000 0.345 324 Y C 0.518 176.356 175.900 -0.102 0.000 0.984 324 Y CA -0.882 57.174 58.100 -0.073 0.000 1.058 324 Y CB 1.923 40.348 38.460 -0.057 0.000 1.220 324 Y HN 0.153 nan 8.280 nan 0.000 0.455 325 V N -1.213 118.687 119.914 -0.022 0.000 3.156 325 V HA 0.956 5.076 4.120 -0.000 0.000 0.310 325 V C -0.681 175.410 176.094 -0.004 0.000 1.234 325 V CA -1.040 61.219 62.300 -0.067 0.000 1.065 325 V CB 1.711 33.353 31.823 -0.301 0.000 1.088 325 V HN 0.777 nan 8.190 nan 0.000 0.451 326 S N 0.707 116.428 115.700 0.035 0.000 2.570 326 S HA 0.878 5.348 4.470 -0.000 0.000 0.286 326 S C -1.192 173.469 174.600 0.102 0.000 1.099 326 S CA -0.733 57.513 58.200 0.075 0.000 0.913 326 S CB 1.974 65.220 63.200 0.077 0.000 1.085 326 S HN 0.896 nan 8.310 nan 0.000 0.480 327 I N 2.589 123.252 120.570 0.155 0.000 2.582 327 I HA 0.393 4.563 4.170 -0.000 0.000 0.292 327 I C 0.681 176.880 176.117 0.137 0.000 1.066 327 I CA -0.202 61.184 61.300 0.143 0.000 1.053 327 I CB 2.164 40.250 38.000 0.143 0.000 1.241 327 I HN 1.065 nan 8.210 nan 0.000 0.421 328 T N 0.550 115.143 114.554 0.064 0.000 2.816 328 T HA 0.198 4.548 4.350 -0.000 0.000 0.282 328 T C 0.879 175.585 174.700 0.010 0.000 0.993 328 T CA -0.445 61.697 62.100 0.070 0.000 0.994 328 T CB 1.226 70.136 68.868 0.070 0.000 1.025 328 T HN 0.443 nan 8.240 nan 0.000 0.529 329 D N 0.641 121.080 120.400 0.064 0.000 2.116 329 D HA -0.117 4.523 4.640 -0.000 0.000 0.193 329 D C 1.689 177.985 176.300 -0.007 0.000 0.998 329 D CA 1.467 55.487 54.000 0.034 0.000 0.836 329 D CB -0.344 40.523 40.800 0.112 0.000 0.951 329 D HN 0.622 nan 8.370 nan 0.000 0.449 330 D N 0.335 120.755 120.400 0.033 0.000 2.144 330 D HA -0.100 4.539 4.640 -0.000 0.000 0.199 330 D C 1.962 178.257 176.300 -0.009 0.000 0.984 330 D CA 0.697 54.709 54.000 0.020 0.000 0.834 330 D CB -0.194 40.630 40.800 0.040 0.000 0.955 330 D HN 0.411 nan 8.370 nan 0.000 0.465 331 E N 0.527 120.713 120.200 -0.024 0.000 2.106 331 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 331 E C 2.093 178.646 176.600 -0.078 0.000 0.984 331 E CA 0.891 57.271 56.400 -0.033 0.000 0.806 331 E CB -0.013 29.676 29.700 -0.018 0.000 0.750 331 E HN 0.181 nan 8.360 nan 0.000 0.458 332 A N 1.189 123.891 122.820 -0.197 0.000 1.902 332 A HA -0.146 4.173 4.320 -0.000 0.000 0.217 332 A C 2.180 179.725 177.584 -0.065 0.000 1.181 332 A CA 0.979 52.855 52.037 -0.270 0.000 0.623 332 A CB -0.588 17.976 19.000 -0.726 0.000 0.818 332 A HN 0.129 nan 8.150 nan 0.000 0.443 333 L N -0.648 120.544 121.223 -0.052 0.000 2.046 333 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 333 L C 2.770 179.687 176.870 0.078 0.000 1.077 333 L CA 1.658 56.495 54.840 -0.005 0.000 0.747 333 L CB -0.420 41.620 42.059 -0.031 0.000 0.896 333 L HN 0.513 nan 8.230 nan 0.000 0.432 334 E N 0.646 120.875 120.200 0.048 0.000 2.106 334 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 334 E C 2.118 178.769 176.600 0.084 0.000 0.984 334 E CA 1.403 57.840 56.400 0.063 0.000 0.806 334 E CB 0.120 29.840 29.700 0.034 0.000 0.750 334 E HN 0.437 nan 8.360 nan 0.000 0.458 335 A N 0.565 123.428 122.820 0.071 0.000 1.930 335 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 335 A C 2.051 179.698 177.584 0.106 0.000 1.175 335 A CA 1.143 53.221 52.037 0.068 0.000 0.627 335 A CB -0.885 18.140 19.000 0.043 0.000 0.815 335 A HN 0.419 nan 8.150 nan 0.000 0.443 336 F N 0.949 120.893 119.950 -0.010 0.000 2.069 336 F HA -0.178 4.348 4.527 -0.000 0.000 0.298 336 F C 2.186 177.985 175.800 -0.000 0.000 1.113 336 F CA 2.249 60.248 58.000 -0.003 0.000 1.214 336 F CB -0.191 38.806 39.000 -0.005 0.000 0.978 336 F HN 0.108 nan 8.300 nan 0.000 0.474 337 K N -0.577 120.012 120.400 0.314 0.000 2.057 337 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 337 K C 2.019 178.645 176.600 0.043 0.000 1.049 337 K CA 1.974 58.366 56.287 0.175 0.000 0.931 337 K CB -0.698 31.896 32.500 0.156 0.000 0.714 337 K HN 0.273 nan 8.250 nan 0.000 0.440 338 T N 1.967 116.565 114.554 0.074 0.000 2.746 338 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 338 T C 1.774 176.520 174.700 0.077 0.000 1.039 338 T CA 0.995 63.169 62.100 0.123 0.000 1.142 338 T CB -0.165 68.782 68.868 0.131 0.000 0.866 338 T HN 0.074 nan 8.240 nan 0.000 0.444 339 L N 0.558 121.773 121.223 -0.015 0.000 2.093 339 L HA -0.001 4.338 4.340 -0.000 0.000 0.208 339 L C 2.505 179.302 176.870 -0.122 0.000 1.085 339 L CA 1.411 56.216 54.840 -0.057 0.000 0.755 339 L CB -0.695 41.304 42.059 -0.099 0.000 0.904 339 L HN 0.307 nan 8.230 nan 0.000 0.435 340 C N -0.595 118.584 119.300 -0.203 0.000 2.413 340 C HA -0.175 4.285 4.460 -0.000 0.000 0.276 340 C C 2.926 177.815 174.990 -0.169 0.000 1.236 340 C CA 1.257 60.148 59.018 -0.212 0.000 1.735 340 C CB -1.027 26.573 27.740 -0.234 0.000 2.031 340 C HN 0.551 nan 8.230 nan 0.000 0.474 341 R N -0.571 119.806 120.500 -0.206 0.000 2.115 341 R HA -0.066 4.274 4.340 -0.000 0.000 0.226 341 R C 1.885 177.895 176.300 -0.482 0.000 1.100 341 R CA 1.181 57.075 56.100 -0.342 0.000 0.980 341 R CB -0.220 29.817 30.300 -0.438 0.000 0.875 341 R HN 0.659 nan 8.270 nan 0.000 0.445 342 H N -1.000 118.042 119.070 -0.046 0.000 2.639 342 H HA 0.174 4.729 4.556 -0.000 0.000 0.267 342 H C 0.768 176.067 175.328 -0.049 0.000 0.958 342 H CA 0.381 56.403 56.048 -0.043 0.000 1.221 342 H CB 0.985 30.723 29.762 -0.040 0.000 1.446 342 H HN 0.197 nan 8.280 nan 0.000 0.512 343 E N -0.336 119.868 120.200 0.008 0.000 2.601 343 E HA 0.153 4.503 4.350 -0.000 0.000 0.219 343 E C 1.081 177.654 176.600 -0.045 0.000 0.964 343 E CA 0.395 56.786 56.400 -0.015 0.000 1.050 343 E CB 1.237 30.926 29.700 -0.019 0.000 1.068 343 E HN 0.447 nan 8.360 nan 0.000 0.496 344 G N 2.272 111.030 108.800 -0.070 0.000 2.198 344 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 344 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 344 G C 0.200 175.051 174.900 -0.080 0.000 1.025 344 G CA 0.545 45.600 45.100 -0.074 0.000 0.769 344 G HN 0.252 nan 8.290 nan 0.000 0.507 345 I N 0.399 120.909 120.570 -0.100 0.000 2.436 345 I HA 0.438 4.607 4.170 -0.000 0.000 0.289 345 I C 0.420 176.426 176.117 -0.185 0.000 1.010 345 I CA -1.103 60.132 61.300 -0.107 0.000 1.098 345 I CB 1.772 39.725 38.000 -0.077 0.000 1.266 345 I HN -0.064 nan 8.210 nan 0.000 0.434 346 I N 8.381 128.834 120.570 -0.195 0.000 2.291 346 I HA 0.285 4.454 4.170 -0.000 0.000 0.290 346 I C -2.175 173.789 176.117 -0.255 0.000 1.050 346 I CA -1.678 59.423 61.300 -0.333 0.000 1.245 346 I CB 0.789 38.653 38.000 -0.227 0.000 1.405 346 I HN 0.240 nan 8.210 nan 0.000 0.478 347 P HA 0.282 nan 4.420 nan 0.000 0.284 347 P C -0.514 176.842 177.300 0.094 0.000 1.258 347 P CA -0.416 62.629 63.100 -0.091 0.000 0.824 347 P CB 1.531 33.190 31.700 -0.070 0.000 1.038 348 A N 2.686 125.585 122.820 0.132 0.000 2.466 348 A HA 0.102 4.422 4.320 -0.000 0.000 0.238 348 A C 1.657 179.394 177.584 0.254 0.000 1.074 348 A CA -0.242 51.908 52.037 0.189 0.000 0.774 348 A CB -0.630 18.447 19.000 0.128 0.000 1.015 348 A HN 0.648 nan 8.150 nan 0.000 0.498 349 L N 0.435 121.801 121.223 0.239 0.000 2.201 349 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 349 L C 2.229 179.260 176.870 0.268 0.000 1.105 349 L CA 1.309 56.282 54.840 0.221 0.000 0.775 349 L CB -0.388 41.723 42.059 0.087 0.000 0.913 349 L HN 0.838 nan 8.230 nan 0.000 0.440 350 E N -0.137 120.170 120.200 0.179 0.000 2.017 350 E HA -0.164 4.185 4.350 -0.000 0.000 0.193 350 E C 2.299 179.005 176.600 0.176 0.000 0.997 350 E CA 1.611 58.084 56.400 0.122 0.000 0.804 350 E CB -0.291 29.438 29.700 0.049 0.000 0.757 350 E HN 0.255 nan 8.360 nan 0.000 0.448 351 S N 0.480 116.263 115.700 0.139 0.000 2.400 351 S HA -0.140 4.330 4.470 -0.000 0.000 0.232 351 S C 2.032 176.717 174.600 0.142 0.000 1.025 351 S CA 1.059 59.326 58.200 0.111 0.000 0.993 351 S CB -0.300 62.950 63.200 0.084 0.000 0.808 351 S HN 0.112 nan 8.310 nan 0.000 0.478 352 S N 0.813 116.624 115.700 0.184 0.000 2.442 352 S HA -0.116 4.353 4.470 -0.000 0.000 0.236 352 S C 1.524 176.180 174.600 0.094 0.000 1.007 352 S CA 1.058 59.345 58.200 0.146 0.000 0.965 352 S CB -0.320 62.997 63.200 0.195 0.000 0.773 352 S HN 0.601 nan 8.310 nan 0.000 0.504 353 H N 1.268 120.377 119.070 0.066 0.000 2.357 353 H HA 0.146 4.702 4.556 -0.000 0.000 0.301 353 H C 2.302 177.673 175.328 0.072 0.000 1.082 353 H CA 1.311 57.394 56.048 0.059 0.000 1.342 353 H CB -0.401 29.381 29.762 0.033 0.000 1.389 353 H HN 0.406 nan 8.280 nan 0.000 0.511 354 A N 0.540 123.468 122.820 0.180 0.000 1.873 354 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 354 A C 2.253 179.909 177.584 0.120 0.000 1.186 354 A CA 1.329 53.446 52.037 0.134 0.000 0.616 354 A CB -0.773 18.279 19.000 0.087 0.000 0.823 354 A HN 0.338 nan 8.150 nan 0.000 0.442 355 L N 0.029 121.305 121.223 0.089 0.000 2.042 355 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 355 L C 2.640 179.538 176.870 0.047 0.000 1.076 355 L CA 2.302 57.177 54.840 0.058 0.000 0.749 355 L CB -0.827 41.259 42.059 0.044 0.000 0.893 355 L HN 0.351 nan 8.230 nan 0.000 0.432 356 A N -1.461 121.390 122.820 0.052 0.000 1.908 356 A HA -0.318 4.001 4.320 -0.000 0.000 0.218 356 A C 2.293 179.900 177.584 0.039 0.000 1.181 356 A CA 1.921 53.975 52.037 0.029 0.000 0.627 356 A CB -1.052 17.949 19.000 0.002 0.000 0.818 356 A HN 0.738 nan 8.150 nan 0.000 0.445 357 H N -0.313 118.768 119.070 0.019 0.000 2.395 357 H HA 0.151 4.707 4.556 -0.000 0.000 0.299 357 H C 2.156 177.488 175.328 0.007 0.000 1.070 357 H CA 1.557 57.615 56.048 0.017 0.000 1.356 357 H CB -0.216 29.563 29.762 0.028 0.000 1.401 357 H HN 0.386 nan 8.280 nan 0.000 0.524 358 A N 0.418 123.219 122.820 -0.033 0.000 1.902 358 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 358 A C 2.209 179.728 177.584 -0.108 0.000 1.181 358 A CA 1.459 53.454 52.037 -0.070 0.000 0.623 358 A CB -0.735 18.265 19.000 0.000 0.000 0.818 358 A HN 0.396 nan 8.150 nan 0.000 0.443 359 L N 0.030 121.206 121.223 -0.078 0.000 2.046 359 L HA -0.155 4.184 4.340 -0.000 0.000 0.208 359 L C 2.385 179.192 176.870 -0.105 0.000 1.077 359 L CA 2.322 57.118 54.840 -0.073 0.000 0.747 359 L CB -0.902 41.132 42.059 -0.042 0.000 0.896 359 L HN 0.544 nan 8.230 nan 0.000 0.432 360 K N -0.916 119.395 120.400 -0.149 0.000 2.057 360 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 360 K C 2.120 178.604 176.600 -0.194 0.000 1.049 360 K CA 1.484 57.671 56.287 -0.166 0.000 0.931 360 K CB -0.078 32.305 32.500 -0.195 0.000 0.714 360 K HN 0.204 nan 8.250 nan 0.000 0.440 361 M N 0.372 119.802 119.600 -0.282 0.000 2.108 361 M HA -0.200 4.280 4.480 -0.000 0.000 0.261 361 M C 2.447 178.679 176.300 -0.113 0.000 1.066 361 M CA 1.769 56.950 55.300 -0.199 0.000 1.107 361 M CB -0.240 32.243 32.600 -0.195 0.000 1.356 361 M HN 0.339 nan 8.290 nan 0.000 0.406 362 M N 0.099 119.637 119.600 -0.103 0.000 2.077 362 M HA -0.194 4.286 4.480 -0.000 0.000 0.261 362 M C 2.130 178.391 176.300 -0.065 0.000 1.070 362 M CA 1.849 57.105 55.300 -0.073 0.000 1.125 362 M CB -0.101 32.458 32.600 -0.068 0.000 1.339 362 M HN 0.073 nan 8.290 nan 0.000 0.409 363 R N 0.040 120.499 120.500 -0.069 0.000 2.092 363 R HA -0.088 4.252 4.340 -0.000 0.000 0.231 363 R C 2.001 178.272 176.300 -0.047 0.000 1.119 363 R CA 1.676 57.743 56.100 -0.055 0.000 0.970 363 R CB -0.284 29.984 30.300 -0.053 0.000 0.864 363 R HN 0.566 nan 8.270 nan 0.000 0.440 364 E N 0.435 120.603 120.200 -0.053 0.000 2.150 364 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 364 E C 0.210 176.790 176.600 -0.034 0.000 0.985 364 E CA 0.872 57.247 56.400 -0.041 0.000 0.814 364 E CB 0.234 29.908 29.700 -0.044 0.000 0.752 364 E HN 0.373 nan 8.360 nan 0.000 0.466 365 Q N -0.164 119.613 119.800 -0.039 0.000 3.484 365 Q HA 0.122 4.462 4.340 -0.000 0.000 0.255 365 Q C -2.186 173.794 176.000 -0.033 0.000 0.909 365 Q CA -1.148 54.636 55.803 -0.031 0.000 0.774 365 Q CB 1.440 30.160 28.738 -0.028 0.000 1.431 365 Q HN 0.061 nan 8.270 nan 0.000 0.423 366 P HA -0.163 nan 4.420 nan 0.000 0.225 366 P C 0.315 177.597 177.300 -0.029 0.000 1.148 366 P CA 1.190 64.269 63.100 -0.034 0.000 0.779 366 P CB 0.531 32.211 31.700 -0.034 0.000 0.780 367 E N -0.244 119.941 120.200 -0.024 0.000 2.465 367 E HA 0.081 4.431 4.350 -0.000 0.000 0.195 367 E C 0.572 177.161 176.600 -0.019 0.000 1.028 367 E CA -0.181 56.207 56.400 -0.020 0.000 0.899 367 E CB 0.213 29.903 29.700 -0.017 0.000 1.032 367 E HN 0.363 nan 8.360 nan 0.000 0.468 368 K N 2.137 122.524 120.400 -0.021 0.000 2.297 368 K HA 0.061 4.381 4.320 -0.000 0.000 0.286 368 K C -0.087 176.501 176.600 -0.019 0.000 1.053 368 K CA -0.190 56.085 56.287 -0.020 0.000 0.940 368 K CB 0.680 33.166 32.500 -0.023 0.000 1.019 368 K HN -0.140 nan 8.250 nan 0.000 0.475 369 E N 4.784 124.976 120.200 -0.015 0.000 2.257 369 E HA -0.020 4.329 4.350 -0.000 0.000 0.278 369 E C -1.179 175.414 176.600 -0.012 0.000 1.049 369 E CA -0.129 56.264 56.400 -0.012 0.000 0.876 369 E CB 0.552 30.247 29.700 -0.008 0.000 1.035 369 E HN 0.615 nan 8.360 nan 0.000 0.419 370 Q N 4.125 123.919 119.800 -0.011 0.000 2.353 370 Q HA 0.371 4.711 4.340 -0.000 0.000 0.275 370 Q C -1.526 174.475 176.000 0.001 0.000 1.029 370 Q CA -0.897 54.900 55.803 -0.011 0.000 0.848 370 Q CB 1.265 29.991 28.738 -0.020 0.000 1.390 370 Q HN 0.517 nan 8.270 nan 0.000 0.401 371 L N 4.213 125.441 121.223 0.007 0.000 2.294 371 L HA 0.557 4.897 4.340 -0.000 0.000 0.283 371 L C -1.509 175.374 176.870 0.021 0.000 1.015 371 L CA -0.762 54.101 54.840 0.039 0.000 0.831 371 L CB 0.908 42.990 42.059 0.039 0.000 1.217 371 L HN 0.686 nan 8.230 nan 0.000 0.420 372 L N 5.188 126.439 121.223 0.047 0.000 2.342 372 L HA 0.665 5.005 4.340 -0.000 0.000 0.271 372 L C -0.766 176.147 176.870 0.072 0.000 1.008 372 L CA -0.957 53.899 54.840 0.027 0.000 0.818 372 L CB 2.365 44.432 42.059 0.014 0.000 1.296 372 L HN 0.228 nan 8.230 nan 0.000 0.427 373 V N 2.769 122.702 119.914 0.032 0.000 2.531 373 V HA 0.422 4.542 4.120 -0.000 0.000 0.301 373 V C -0.239 175.889 176.094 0.057 0.000 1.034 373 V CA -0.638 61.702 62.300 0.067 0.000 0.865 373 V CB 2.410 34.248 31.823 0.025 0.000 0.995 373 V HN 0.419 nan 8.190 nan 0.000 0.424 374 V N 4.306 124.265 119.914 0.074 0.000 2.435 374 V HA 0.335 4.455 4.120 -0.000 0.000 0.290 374 V C 0.391 176.524 176.094 0.064 0.000 1.030 374 V CA -0.628 61.711 62.300 0.066 0.000 0.881 374 V CB 1.696 33.554 31.823 0.057 0.000 0.983 374 V HN 0.928 nan 8.190 nan 0.000 0.445 375 N N 3.829 122.561 118.700 0.053 0.000 2.405 375 N HA 0.169 4.909 4.740 -0.000 0.000 0.260 375 N C -0.691 174.833 175.510 0.024 0.000 1.152 375 N CA -0.675 52.396 53.050 0.035 0.000 0.948 375 N CB 0.640 39.124 38.487 -0.005 0.000 1.111 375 N HN 0.488 nan 8.380 nan 0.000 0.485 376 L N 4.654 125.899 121.223 0.037 0.000 2.375 376 L HA 0.086 4.426 4.340 -0.000 0.000 0.276 376 L C 1.649 178.544 176.870 0.042 0.000 1.162 376 L CA 0.128 54.991 54.840 0.037 0.000 0.991 376 L CB 0.309 42.390 42.059 0.036 0.000 1.315 376 L HN 0.610 nan 8.230 nan 0.000 0.431 377 S N 1.363 117.080 115.700 0.028 0.000 2.419 377 S HA 0.100 4.569 4.470 -0.000 0.000 0.235 377 S C 0.884 175.584 174.600 0.166 0.000 1.019 377 S CA 0.563 58.796 58.200 0.055 0.000 0.982 377 S CB -0.287 62.875 63.200 -0.064 0.000 0.789 377 S HN 0.668 nan 8.310 nan 0.000 0.490 378 G N 0.536 109.403 108.800 0.111 0.000 2.623 378 G HA2 0.552 4.512 3.960 -0.000 0.000 0.290 378 G HA3 0.552 4.512 3.960 -0.000 0.000 0.290 378 G C -1.316 173.623 174.900 0.064 0.000 1.437 378 G CA -1.260 43.897 45.100 0.096 0.000 0.798 378 G HN 0.510 nan 8.290 nan 0.000 0.488 379 R N -1.078 119.449 120.500 0.045 0.000 2.528 379 R HA 0.648 4.988 4.340 -0.000 0.000 0.271 379 R C 0.645 176.978 176.300 0.055 0.000 1.056 379 R CA -0.081 56.036 56.100 0.028 0.000 1.117 379 R CB 1.332 31.636 30.300 0.007 0.000 1.085 379 R HN 0.698 nan 8.270 nan 0.000 0.530 380 G N 0.246 109.084 108.800 0.062 0.000 3.690 380 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.283 380 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.283 380 G C 0.186 175.164 174.900 0.130 0.000 1.057 380 G CA -0.343 44.857 45.100 0.167 0.000 0.821 380 G HN 0.696 nan 8.290 nan 0.000 0.526 381 D N 1.873 122.294 120.400 0.035 0.000 2.149 381 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 381 D C 2.416 178.670 176.300 -0.076 0.000 0.990 381 D CA 1.107 55.091 54.000 -0.026 0.000 0.839 381 D CB 0.136 40.917 40.800 -0.033 0.000 0.948 381 D HN 0.612 nan 8.370 nan 0.000 0.460 382 K N 0.585 120.975 120.400 -0.016 0.000 2.360 382 K HA -0.108 4.211 4.320 -0.000 0.000 0.201 382 K C 0.735 177.326 176.600 -0.013 0.000 1.046 382 K CA 1.146 57.430 56.287 -0.005 0.000 0.945 382 K CB 0.172 32.695 32.500 0.038 0.000 0.750 382 K HN -0.019 nan 8.250 nan 0.000 0.464 383 D N 0.717 121.115 120.400 -0.004 0.000 2.369 383 D HA 0.076 4.716 4.640 -0.000 0.000 0.211 383 D C 1.700 177.936 176.300 -0.107 0.000 1.077 383 D CA -0.035 53.947 54.000 -0.029 0.000 0.842 383 D CB 0.288 41.079 40.800 -0.014 0.000 0.947 383 D HN 0.116 nan 8.370 nan 0.000 0.509 384 I N 0.918 121.392 120.570 -0.159 0.000 2.194 384 I HA -0.274 3.896 4.170 -0.000 0.000 0.246 384 I C 2.026 178.059 176.117 -0.138 0.000 1.093 384 I CA 1.264 62.455 61.300 -0.182 0.000 1.355 384 I CB -0.913 36.879 38.000 -0.347 0.000 1.046 384 I HN -0.049 nan 8.210 nan 0.000 0.413 385 F N 1.098 121.070 119.950 0.037 0.000 2.146 385 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 385 F C 2.747 178.578 175.800 0.052 0.000 1.096 385 F CA 1.270 59.287 58.000 0.027 0.000 1.275 385 F CB -1.871 37.127 39.000 -0.003 0.000 1.008 385 F HN 0.008 nan 8.300 nan 0.000 0.480 386 T N 0.094 114.750 114.554 0.169 0.000 2.684 386 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 386 T C 2.293 176.998 174.700 0.009 0.000 1.036 386 T CA 1.649 63.794 62.100 0.075 0.000 1.148 386 T CB -0.632 68.243 68.868 0.012 0.000 0.863 386 T HN 0.049 nan 8.240 nan 0.000 0.436 387 V N 1.261 121.117 119.914 -0.097 0.000 2.427 387 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 387 V C 2.364 178.451 176.094 -0.011 0.000 1.051 387 V CA 1.632 63.831 62.300 -0.167 0.000 1.048 387 V CB -0.751 30.814 31.823 -0.430 0.000 0.666 387 V HN 0.619 nan 8.190 nan 0.000 0.456 388 H N 0.891 119.956 119.070 -0.008 0.000 2.267 388 H HA -0.185 4.371 4.556 -0.000 0.000 0.297 388 H C 2.107 177.460 175.328 0.042 0.000 1.080 388 H CA 2.269 58.342 56.048 0.042 0.000 1.278 388 H CB -0.179 29.642 29.762 0.098 0.000 1.365 388 H HN 0.398 nan 8.280 nan 0.000 0.489 389 D N 0.606 121.144 120.400 0.231 0.000 2.149 389 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 389 D C 2.568 178.886 176.300 0.031 0.000 0.990 389 D CA 0.968 55.053 54.000 0.143 0.000 0.839 389 D CB -0.279 40.611 40.800 0.149 0.000 0.948 389 D HN 0.469 nan 8.370 nan 0.000 0.460 390 I N 0.523 121.104 120.570 0.018 0.000 2.113 390 I HA -0.240 3.929 4.170 -0.000 0.000 0.238 390 I C 2.478 178.577 176.117 -0.029 0.000 1.070 390 I CA 0.801 62.101 61.300 -0.001 0.000 1.332 390 I CB -0.230 37.766 38.000 -0.007 0.000 1.044 390 I HN -0.037 nan 8.210 nan 0.000 0.402 391 L N 0.958 122.147 121.223 -0.058 0.000 2.083 391 L HA -0.248 4.091 4.340 -0.000 0.000 0.209 391 L C 3.113 179.926 176.870 -0.095 0.000 1.083 391 L CA 1.810 56.608 54.840 -0.070 0.000 0.752 391 L CB -1.023 40.989 42.059 -0.079 0.000 0.899 391 L HN 0.262 nan 8.230 nan 0.000 0.433 392 K N 0.395 120.703 120.400 -0.154 0.000 2.147 392 K HA -0.003 4.317 4.320 -0.000 0.000 0.205 392 K C 2.099 178.663 176.600 -0.059 0.000 1.049 392 K CA 1.409 57.610 56.287 -0.142 0.000 0.936 392 K CB -1.072 31.312 32.500 -0.193 0.000 0.722 392 K HN 0.451 nan 8.250 nan 0.000 0.446 393 A N 0.715 123.514 122.820 -0.036 0.000 2.167 393 A HA 0.020 4.340 4.320 -0.000 0.000 0.214 393 A C 2.204 179.779 177.584 -0.016 0.000 1.151 393 A CA 1.038 53.067 52.037 -0.014 0.000 0.735 393 A CB -0.083 18.916 19.000 -0.001 0.000 0.802 393 A HN 0.545 nan 8.150 nan 0.000 0.467 394 R N -1.331 119.156 120.500 -0.022 0.000 2.308 394 R HA 0.335 4.674 4.340 -0.000 0.000 0.202 394 R C 0.741 177.030 176.300 -0.018 0.000 0.898 394 R CA 0.554 56.644 56.100 -0.017 0.000 1.046 394 R CB 0.563 30.855 30.300 -0.013 0.000 1.026 394 R HN 0.452 nan 8.270 nan 0.000 0.512 395 G N 0.000 108.785 108.800 -0.025 0.000 5.446 395 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 395 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 395 G CA 0.000 nan 45.100 nan 0.000 0.502 395 G HN 0.000 nan 8.290 nan 0.000 0.925