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 3px2_1_D DATA FIRST_RESID 10 DATA SEQUENCE PQADYSGEIA ELYDLVHQGK GKDYHREAAD LAALVRRHSP KAASLLDVAC DATA SEQUENCE GTGMHLRHLA DSFGTVEGLE LSADMLAIAR RRNPDAVLHH GDMRDFSLGR DATA SEQUENCE RFSAVTCMFS SIGNLAGQAE LDAALERFAA HVLPDGVVVV EPWWFPENFT DATA SEQUENCE PGYVAAGTVE AGGTTVTRVS HSSREGEATR IEVHYLVAGP DRGITHHEES DATA SEQUENCE HRITLFTREQ YERAFTAAGL SVEFMPGGPS GRGLFTGLPG 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 10 P HA 0.000 nan 4.420 nan 0.000 0.216 10 P C 0.000 177.222 177.300 -0.131 0.000 1.155 10 P CA 0.000 63.028 63.100 -0.120 0.000 0.800 10 P CB 0.000 31.623 31.700 -0.128 0.000 0.726 11 Q N 0.846 120.562 119.800 -0.139 0.000 2.368 11 Q HA 0.701 -10.152 4.340 -25.321 0.000 0.237 11 Q C -0.025 175.820 176.000 -0.257 0.000 0.987 11 Q CA -0.330 55.386 55.803 -0.146 0.000 0.896 11 Q CB 1.306 29.979 28.738 -0.108 0.000 1.241 11 Q HN 0.455 nan 8.270 nan 0.000 0.485 12 A N 1.726 124.416 122.820 -0.216 0.000 2.571 12 A HA 0.116 -10.757 4.320 -25.321 0.000 0.274 12 A C -0.037 177.506 177.584 -0.068 0.000 1.196 12 A CA 0.061 51.929 52.037 -0.282 0.000 0.957 12 A CB 0.222 19.124 19.000 -0.164 0.000 1.150 12 A HN 0.839 nan 8.150 nan 0.000 0.539 13 D N -2.468 117.904 120.400 -0.047 0.000 2.535 13 D HA 0.091 -10.462 4.640 -25.321 0.000 0.229 13 D C -0.415 175.993 176.300 0.181 0.000 1.238 13 D CA -0.611 53.449 54.000 0.099 0.000 0.824 13 D CB -0.888 39.950 40.800 0.065 0.000 1.045 13 D HN 0.172 nan 8.370 nan 0.000 0.500 14 Y N 0.717 121.087 120.300 0.117 0.000 3.027 14 Y HA -0.242 -10.888 4.550 -25.328 0.000 0.195 14 Y C 0.271 176.175 175.900 0.008 0.000 1.381 14 Y CA 0.720 58.861 58.100 0.068 0.000 1.015 14 Y CB -2.277 36.189 38.460 0.010 0.000 1.329 14 Y HN 0.312 nan 8.280 nan 0.000 0.462 15 S N -1.608 114.136 115.700 0.073 0.000 2.661 15 S HA 0.904 -9.819 4.470 -25.321 0.000 0.285 15 S C 0.709 175.305 174.600 -0.007 0.000 1.138 15 S CA -0.262 57.957 58.200 0.032 0.000 0.855 15 S CB 2.213 65.427 63.200 0.023 0.000 1.136 15 S HN 1.689 nan 8.310 nan 0.000 0.484 16 G N 1.731 110.521 108.800 -0.017 0.000 2.611 16 G HA2 -0.400 -11.633 3.960 -25.321 0.000 0.301 16 G HA3 -0.400 -11.633 3.960 -25.321 0.000 0.301 16 G C 0.667 175.525 174.900 -0.070 0.000 1.233 16 G CA 1.018 46.097 45.100 -0.035 0.000 0.993 16 G HN 1.190 nan 8.290 nan 0.000 0.553 17 E N -0.224 119.909 120.200 -0.112 0.000 2.150 17 E HA -0.059 -10.902 4.350 -25.321 0.000 0.193 17 E C 2.704 179.132 176.600 -0.287 0.000 0.985 17 E CA 1.519 57.783 56.400 -0.228 0.000 0.814 17 E CB -0.155 29.317 29.700 -0.380 0.000 0.752 17 E HN 0.439 nan 8.360 nan 0.000 0.466 18 I N 1.164 121.588 120.570 -0.243 0.000 2.179 18 I HA -0.230 -11.253 4.170 -25.321 0.000 0.242 18 I C 2.411 178.513 176.117 -0.025 0.000 1.088 18 I CA 1.505 62.669 61.300 -0.227 0.000 1.357 18 I CB -1.712 36.221 38.000 -0.111 0.000 1.051 18 I HN 0.224 nan 8.210 nan 0.000 0.409 19 A N 0.461 123.294 122.820 0.022 0.000 1.933 19 A HA -0.197 -11.070 4.320 -25.321 0.000 0.218 19 A C 2.186 179.801 177.584 0.051 0.000 1.175 19 A CA 1.474 53.553 52.037 0.071 0.000 0.628 19 A CB -0.622 18.396 19.000 0.030 0.000 0.814 19 A HN 0.530 nan 8.150 nan 0.000 0.444 20 E N -0.375 119.814 120.200 -0.018 0.000 2.268 20 E HA -0.057 -10.900 4.350 -25.321 0.000 0.195 20 E C 1.519 178.112 176.600 -0.012 0.000 0.995 20 E CA 0.729 57.114 56.400 -0.025 0.000 0.836 20 E CB -0.182 29.479 29.700 -0.065 0.000 0.763 20 E HN 0.626 nan 8.360 nan 0.000 0.491 21 L N -0.126 121.071 121.223 -0.044 0.000 2.529 21 L HA -0.004 -10.856 4.340 -25.321 0.000 0.223 21 L C 2.107 179.046 176.870 0.115 0.000 1.113 21 L CA 0.017 54.839 54.840 -0.031 0.000 0.861 21 L CB -0.151 41.776 42.059 -0.219 0.000 1.012 21 L HN 0.137 nan 8.230 nan 0.000 0.461 22 Y N 1.436 121.781 120.300 0.075 0.000 2.097 22 Y HA -0.335 -10.980 4.550 -25.325 0.000 0.282 22 Y C 2.249 178.295 175.900 0.243 0.000 1.152 22 Y CA 2.004 60.237 58.100 0.222 0.000 1.136 22 Y CB 0.088 38.700 38.460 0.252 0.000 0.975 22 Y HN 0.219 nan 8.280 nan 0.000 0.498 23 D N 0.033 120.611 120.400 0.297 0.000 2.117 23 D HA -0.166 -10.719 4.640 -25.321 0.000 0.198 23 D C 2.118 178.473 176.300 0.091 0.000 0.982 23 D CA 1.326 55.428 54.000 0.169 0.000 0.828 23 D CB -0.490 40.371 40.800 0.102 0.000 0.967 23 D HN 0.395 nan 8.370 nan 0.000 0.464 24 L N 1.071 122.339 121.223 0.075 0.000 2.056 24 L HA -0.127 -10.980 4.340 -25.321 0.000 0.207 24 L C 2.355 179.246 176.870 0.036 0.000 1.078 24 L CA 1.291 56.162 54.840 0.052 0.000 0.749 24 L CB -0.605 41.481 42.059 0.046 0.000 0.901 24 L HN 0.032 nan 8.230 nan 0.000 0.433 25 V N -3.375 116.544 119.914 0.008 0.000 2.515 25 V HA -0.210 -11.282 4.120 -25.321 0.000 0.250 25 V C 2.413 178.411 176.094 -0.160 0.000 1.058 25 V CA 1.761 64.020 62.300 -0.068 0.000 1.064 25 V CB -1.235 30.560 31.823 -0.046 0.000 0.675 25 V HN 0.541 nan 8.190 nan 0.000 0.461 26 H N 0.201 119.247 119.070 -0.040 0.000 2.470 26 H HA -0.012 -10.652 4.556 -25.326 0.000 0.289 26 H C 2.321 177.662 175.328 0.021 0.000 1.033 26 H CA 1.860 57.886 56.048 -0.036 0.000 1.331 26 H CB 0.134 29.806 29.762 -0.150 0.000 1.414 26 H HN 0.642 nan 8.280 nan 0.000 0.545 27 Q N 0.717 120.595 119.800 0.130 0.000 2.050 27 Q HA -0.096 -10.949 4.340 -25.321 0.000 0.202 27 Q C 2.455 178.495 176.000 0.067 0.000 0.980 27 Q CA 1.598 57.462 55.803 0.102 0.000 0.840 27 Q CB -0.271 28.516 28.738 0.082 0.000 0.898 27 Q HN 0.403 nan 8.270 nan 0.000 0.424 28 G N 0.657 109.486 108.800 0.049 0.000 2.450 28 G HA2 -0.251 -11.484 3.960 -25.321 0.000 0.220 28 G HA3 -0.251 -11.484 3.960 -25.321 0.000 0.220 28 G C 1.242 176.169 174.900 0.044 0.000 1.130 28 G CA 0.884 46.008 45.100 0.040 0.000 0.760 28 G HN 0.322 nan 8.290 nan 0.000 0.557 29 K N -0.484 119.947 120.400 0.053 0.000 2.432 29 K HA 0.252 -10.621 4.320 -25.321 0.000 0.196 29 K C 1.544 178.187 176.600 0.071 0.000 1.038 29 K CA 0.481 56.812 56.287 0.074 0.000 0.986 29 K CB 0.210 32.780 32.500 0.116 0.000 0.782 29 K HN 0.356 nan 8.250 nan 0.000 0.485 30 G N 1.813 110.647 108.800 0.056 0.000 2.143 30 G HA2 -0.247 -11.480 3.960 -25.321 0.000 0.175 30 G HA3 -0.247 -11.480 3.960 -25.321 0.000 0.175 30 G C -0.286 174.616 174.900 0.003 0.000 1.004 30 G CA -0.410 44.711 45.100 0.035 0.000 0.671 30 G HN 0.208 nan 8.290 nan 0.000 0.512 31 K N 0.850 121.244 120.400 -0.009 0.000 2.368 31 K HA 0.355 -10.517 4.320 -25.321 0.000 0.282 31 K C -0.919 175.612 176.600 -0.115 0.000 1.035 31 K CA -0.232 55.967 56.287 -0.147 0.000 0.973 31 K CB 0.433 32.763 32.500 -0.284 0.000 0.957 31 K HN 0.053 nan 8.250 nan 0.000 0.474 32 D N 4.556 124.846 120.400 -0.182 0.000 2.462 32 D HA 0.089 -10.463 4.640 -25.321 0.000 0.249 32 D C -0.011 176.203 176.300 -0.144 0.000 1.117 32 D CA -0.339 53.613 54.000 -0.079 0.000 0.900 32 D CB 0.300 41.072 40.800 -0.047 0.000 1.039 32 D HN 0.486 nan 8.370 nan 0.000 0.516 33 Y N 1.434 121.648 120.300 -0.143 0.000 2.352 33 Y HA -0.138 -10.780 4.550 -25.320 0.000 0.292 33 Y C 2.369 178.121 175.900 -0.248 0.000 1.136 33 Y CA 1.006 58.995 58.100 -0.185 0.000 1.227 33 Y CB -0.199 38.153 38.460 -0.180 0.000 0.991 33 Y HN 0.626 nan 8.280 nan 0.000 0.545 34 H N 0.684 119.514 119.070 -0.399 0.000 2.293 34 H HA -0.197 -10.834 4.556 -25.322 0.000 0.300 34 H C 2.415 177.618 175.328 -0.208 0.000 1.082 34 H CA 2.003 57.688 56.048 -0.606 0.000 1.308 34 H CB 0.095 29.532 29.762 -0.542 0.000 1.375 34 H HN 0.210 nan 8.280 nan 0.000 0.495 35 R N 0.980 121.369 120.500 -0.184 0.000 2.091 35 R HA -0.111 -10.964 4.340 -25.321 0.000 0.238 35 R C 2.407 178.623 176.300 -0.141 0.000 1.136 35 R CA 1.985 57.995 56.100 -0.151 0.000 0.959 35 R CB -0.256 30.014 30.300 -0.050 0.000 0.856 35 R HN 0.489 nan 8.270 nan 0.000 0.437 36 E N -0.443 119.696 120.200 -0.102 0.000 2.110 36 E HA -0.166 -11.009 4.350 -25.321 0.000 0.193 36 E C 1.915 178.512 176.600 -0.005 0.000 0.988 36 E CA 1.192 57.565 56.400 -0.045 0.000 0.804 36 E CB -0.158 29.550 29.700 0.012 0.000 0.745 36 E HN 0.526 nan 8.360 nan 0.000 0.458 37 A N 1.406 124.250 122.820 0.040 0.000 1.898 37 A HA -0.039 -10.912 4.320 -25.321 0.000 0.216 37 A C 2.369 179.959 177.584 0.010 0.000 1.181 37 A CA 1.473 53.557 52.037 0.079 0.000 0.620 37 A CB -0.489 18.609 19.000 0.163 0.000 0.819 37 A HN 0.282 nan 8.150 nan 0.000 0.442 38 A N 0.204 122.956 122.820 -0.115 0.000 1.877 38 A HA -0.180 -11.052 4.320 -25.321 0.000 0.216 38 A C 1.762 179.317 177.584 -0.048 0.000 1.186 38 A CA 1.889 53.864 52.037 -0.103 0.000 0.620 38 A CB -0.627 18.254 19.000 -0.199 0.000 0.822 38 A HN 0.430 nan 8.150 nan 0.000 0.443 39 D N -0.219 120.146 120.400 -0.058 0.000 2.149 39 D HA -0.120 -10.673 4.640 -25.321 0.000 0.198 39 D C 1.842 178.134 176.300 -0.013 0.000 0.990 39 D CA 0.814 54.789 54.000 -0.041 0.000 0.839 39 D CB -0.269 40.498 40.800 -0.056 0.000 0.948 39 D HN 0.407 nan 8.370 nan 0.000 0.460 40 L N 0.178 121.399 121.223 -0.003 0.000 2.179 40 L HA -0.042 -10.895 4.340 -25.321 0.000 0.208 40 L C 2.228 179.167 176.870 0.116 0.000 1.096 40 L CA 0.737 55.588 54.840 0.019 0.000 0.779 40 L CB -0.125 41.912 42.059 -0.036 0.000 0.922 40 L HN -0.033 nan 8.230 nan 0.000 0.443 41 A N -0.265 122.649 122.820 0.157 0.000 1.898 41 A HA -0.137 -11.009 4.320 -25.321 0.000 0.216 41 A C 2.421 180.061 177.584 0.094 0.000 1.181 41 A CA 1.514 53.694 52.037 0.240 0.000 0.620 41 A CB -0.569 18.509 19.000 0.131 0.000 0.819 41 A HN 0.455 nan 8.150 nan 0.000 0.442 42 A N -0.496 122.344 122.820 0.033 0.000 1.898 42 A HA 0.013 -10.860 4.320 -25.321 0.000 0.216 42 A C 2.113 179.707 177.584 0.017 0.000 1.181 42 A CA 1.637 53.674 52.037 0.001 0.000 0.620 42 A CB -0.625 18.362 19.000 -0.021 0.000 0.819 42 A HN 0.623 nan 8.150 nan 0.000 0.442 43 L N 0.074 121.323 121.223 0.043 0.000 1.989 43 L HA -0.144 -10.997 4.340 -25.321 0.000 0.211 43 L C 2.422 179.391 176.870 0.166 0.000 1.071 43 L CA 2.094 56.985 54.840 0.086 0.000 0.749 43 L CB -0.658 41.459 42.059 0.097 0.000 0.890 43 L HN 0.161 nan 8.230 nan 0.000 0.431 44 V N -0.205 119.821 119.914 0.188 0.000 2.287 44 V HA -0.330 -11.402 4.120 -25.321 0.000 0.248 44 V C 2.719 178.923 176.094 0.183 0.000 1.053 44 V CA 2.287 64.730 62.300 0.240 0.000 1.027 44 V CB -0.650 31.385 31.823 0.354 0.000 0.646 44 V HN 0.455 nan 8.190 nan 0.000 0.447 45 R N -0.708 119.854 120.500 0.104 0.000 2.189 45 R HA -0.022 -10.875 4.340 -25.321 0.000 0.218 45 R C 2.463 178.756 176.300 -0.011 0.000 1.074 45 R CA 0.745 56.865 56.100 0.033 0.000 0.991 45 R CB -0.291 29.991 30.300 -0.030 0.000 0.883 45 R HN 0.455 nan 8.270 nan 0.000 0.457 46 R N -0.298 120.166 120.500 -0.060 0.000 2.091 46 R HA -0.112 -10.965 4.340 -25.321 0.000 0.238 46 R C 1.310 177.470 176.300 -0.234 0.000 1.136 46 R CA 1.244 57.229 56.100 -0.192 0.000 0.959 46 R CB -0.195 29.901 30.300 -0.340 0.000 0.856 46 R HN 0.438 nan 8.270 nan 0.000 0.437 47 H N -1.731 117.362 119.070 0.038 0.000 2.539 47 H HA 0.155 -10.481 4.556 -25.321 0.000 0.269 47 H C 0.149 175.509 175.328 0.053 0.000 0.980 47 H CA 0.416 56.491 56.048 0.045 0.000 1.152 47 H CB 0.707 30.503 29.762 0.056 0.000 1.407 47 H HN 0.024 nan 8.280 nan 0.000 0.564 48 S N 0.157 115.932 115.700 0.125 0.000 2.908 48 S HA 0.133 -10.590 4.470 -25.321 0.000 0.140 48 S C -2.495 172.152 174.600 0.078 0.000 0.890 48 S CA -0.798 57.469 58.200 0.113 0.000 0.995 48 S CB 0.267 63.557 63.200 0.150 0.000 1.660 48 S HN -0.129 nan 8.310 nan 0.000 0.507 49 P HA -0.102 nan 4.420 nan 0.000 0.218 49 P C 0.613 177.917 177.300 0.007 0.000 1.146 49 P CA 1.226 64.333 63.100 0.012 0.000 0.813 49 P CB 0.031 31.733 31.700 0.002 0.000 0.778 50 K N -1.949 118.467 120.400 0.026 0.000 2.537 50 K HA 0.473 -10.400 4.320 -25.321 0.000 0.206 50 K C 0.268 176.893 176.600 0.041 0.000 1.041 50 K CA -1.009 55.288 56.287 0.017 0.000 1.090 50 K CB -1.080 31.430 32.500 0.017 0.000 0.833 50 K HN -0.104 nan 8.250 nan 0.000 0.493 51 A N 0.645 123.512 122.820 0.078 0.000 2.498 51 A HA 0.538 -10.335 4.320 -25.321 0.000 0.239 51 A C 0.841 178.524 177.584 0.165 0.000 1.068 51 A CA 0.426 52.563 52.037 0.167 0.000 0.766 51 A CB 0.257 19.427 19.000 0.283 0.000 1.003 51 A HN 0.553 nan 8.150 nan 0.000 0.497 52 A N 1.282 124.255 122.820 0.255 0.000 2.425 52 A HA 0.521 -10.352 4.320 -25.321 0.000 0.201 52 A C 0.712 178.494 177.584 0.330 0.000 1.431 52 A CA 0.883 53.050 52.037 0.217 0.000 1.066 52 A CB -0.217 18.854 19.000 0.119 0.000 1.318 52 A HN 1.836 nan 8.150 nan 0.000 0.534 53 S N -0.807 115.105 115.700 0.353 0.000 2.627 53 S HA 0.826 -9.897 4.470 -25.321 0.000 0.283 53 S C -1.113 173.615 174.600 0.213 0.000 1.127 53 S CA -0.610 57.771 58.200 0.302 0.000 0.863 53 S CB 1.739 65.073 63.200 0.224 0.000 1.121 53 S HN 0.992 nan 8.310 nan 0.000 0.479 54 L N 1.481 122.787 121.223 0.138 0.000 2.588 54 L HA 0.648 -10.205 4.340 -25.321 0.000 0.263 54 L C -2.179 174.499 176.870 -0.320 0.000 0.935 54 L CA -0.865 53.846 54.840 -0.215 0.000 0.891 54 L CB 1.822 43.434 42.059 -0.744 0.000 1.318 54 L HN 0.869 nan 8.230 nan 0.000 0.409 55 L N 3.981 124.818 121.223 -0.643 0.000 2.272 55 L HA 0.541 -10.312 4.340 -25.321 0.000 0.289 55 L C -0.870 175.690 176.870 -0.516 0.000 1.032 55 L CA 0.254 54.590 54.840 -0.840 0.000 0.810 55 L CB 1.297 42.504 42.059 -1.420 0.000 1.205 55 L HN 0.594 nan 8.230 nan 0.000 0.422 56 D N 3.986 124.152 120.400 -0.389 0.000 2.359 56 D HA 0.321 -10.232 4.640 -25.321 0.000 0.230 56 D C -0.810 175.292 176.300 -0.329 0.000 1.118 56 D CA -0.111 53.702 54.000 -0.312 0.000 0.844 56 D CB 1.215 41.901 40.800 -0.189 0.000 1.059 56 D HN 0.342 nan 8.370 nan 0.000 0.493 57 V N 3.267 122.942 119.914 -0.399 0.000 2.546 57 V HA 0.509 -10.563 4.120 -25.321 0.000 0.284 57 V C 0.777 176.719 176.094 -0.253 0.000 1.050 57 V CA -0.281 61.773 62.300 -0.410 0.000 0.981 57 V CB 0.845 32.318 31.823 -0.583 0.000 0.990 57 V HN 0.906 nan 8.190 nan 0.000 0.474 58 A N 3.115 125.806 122.820 -0.216 0.000 2.578 58 A HA -0.212 -11.085 4.320 -25.321 0.000 0.298 58 A C 1.277 178.777 177.584 -0.140 0.000 1.472 58 A CA 0.712 52.653 52.037 -0.159 0.000 0.734 58 A CB -1.986 16.946 19.000 -0.113 0.000 1.091 58 A HN 1.844 nan 8.150 nan 0.000 0.426 59 C N -1.494 117.718 119.300 -0.146 0.000 2.522 59 C HA 0.475 -10.258 4.460 -25.321 0.000 0.271 59 C C 2.418 177.337 174.990 -0.118 0.000 1.425 59 C CA 0.421 59.378 59.018 -0.102 0.000 1.751 59 C CB -1.472 26.199 27.740 -0.114 0.000 1.775 59 C HN 2.698 nan 8.230 nan 0.000 0.557 60 G N 1.826 110.511 108.800 -0.191 0.000 2.596 60 G HA2 -0.373 -11.605 3.960 -25.321 0.000 0.304 60 G HA3 -0.373 -11.605 3.960 -25.321 0.000 0.304 60 G C 0.879 175.629 174.900 -0.249 0.000 1.189 60 G CA 2.003 46.923 45.100 -0.299 0.000 0.986 60 G HN 1.268 nan 8.290 nan 0.000 0.548 61 T N -0.982 113.419 114.554 -0.256 0.000 3.169 61 T HA 0.463 -10.380 4.350 -25.321 0.000 0.250 61 T C 2.203 176.808 174.700 -0.158 0.000 1.111 61 T CA 1.415 63.410 62.100 -0.176 0.000 1.010 61 T CB 0.056 68.856 68.868 -0.113 0.000 0.984 61 T HN 2.737 nan 8.240 nan 0.000 0.537 62 G N 1.446 110.155 108.800 -0.152 0.000 2.147 62 G HA2 -0.276 -11.509 3.960 -25.321 0.000 0.244 62 G HA3 -0.276 -11.509 3.960 -25.321 0.000 0.244 62 G C 0.808 175.615 174.900 -0.155 0.000 1.005 62 G CA 0.387 45.412 45.100 -0.125 0.000 0.713 62 G HN 0.370 nan 8.290 nan 0.000 0.515 63 M N -0.765 118.664 119.600 -0.284 0.000 2.099 63 M HA 0.014 -10.699 4.480 -25.321 0.000 0.262 63 M C 2.129 178.335 176.300 -0.158 0.000 1.067 63 M CA 2.113 57.148 55.300 -0.441 0.000 1.124 63 M CB -1.162 30.685 32.600 -1.255 0.000 1.353 63 M HN 0.553 nan 8.290 nan 0.000 0.410 64 H N 0.074 119.189 119.070 0.074 0.000 2.290 64 H HA -0.114 -10.752 4.556 -25.324 0.000 0.298 64 H C 2.172 177.552 175.328 0.087 0.000 1.087 64 H CA 1.636 57.801 56.048 0.196 0.000 1.291 64 H CB -0.197 29.659 29.762 0.156 0.000 1.369 64 H HN 0.218 nan 8.280 nan 0.000 0.492 65 L N 0.192 121.484 121.223 0.115 0.000 2.042 65 L HA -0.244 -11.097 4.340 -25.321 0.000 0.210 65 L C 2.672 179.551 176.870 0.015 0.000 1.076 65 L CA 1.583 56.443 54.840 0.034 0.000 0.749 65 L CB -0.376 41.667 42.059 -0.027 0.000 0.893 65 L HN 0.265 nan 8.230 nan 0.000 0.432 66 R N -0.494 119.974 120.500 -0.054 0.000 2.105 66 R HA -0.211 -11.064 4.340 -25.321 0.000 0.239 66 R C 2.102 178.307 176.300 -0.158 0.000 1.135 66 R CA 1.944 57.956 56.100 -0.146 0.000 0.967 66 R CB -0.284 29.856 30.300 -0.267 0.000 0.861 66 R HN 0.438 nan 8.270 nan 0.000 0.442 67 H N -0.357 118.762 119.070 0.081 0.000 2.448 67 H HA 0.086 -10.551 4.556 -25.322 0.000 0.292 67 H C 1.871 177.274 175.328 0.124 0.000 1.035 67 H CA 1.294 57.411 56.048 0.116 0.000 1.349 67 H CB 0.157 30.000 29.762 0.136 0.000 1.425 67 H HN 0.115 nan 8.280 nan 0.000 0.539 68 L N 0.171 121.537 121.223 0.239 0.000 2.265 68 L HA -0.110 -10.963 4.340 -25.321 0.000 0.215 68 L C 2.545 179.575 176.870 0.267 0.000 1.117 68 L CA 0.615 55.608 54.840 0.255 0.000 0.782 68 L CB -0.360 41.784 42.059 0.141 0.000 0.914 68 L HN 0.346 nan 8.230 nan 0.000 0.441 69 A N -0.316 122.599 122.820 0.159 0.000 2.076 69 A HA -0.214 -11.087 4.320 -25.321 0.000 0.220 69 A C 1.731 179.392 177.584 0.128 0.000 1.160 69 A CA 1.785 53.899 52.037 0.129 0.000 0.653 69 A CB -0.345 18.691 19.000 0.061 0.000 0.801 69 A HN 0.348 nan 8.150 nan 0.000 0.455 70 D N -0.941 119.539 120.400 0.134 0.000 2.349 70 D HA 0.072 -10.481 4.640 -25.321 0.000 0.215 70 D C 1.433 177.779 176.300 0.076 0.000 1.016 70 D CA 0.963 55.025 54.000 0.103 0.000 0.870 70 D CB 0.327 41.203 40.800 0.127 0.000 0.917 70 D HN 0.394 nan 8.370 nan 0.000 0.524 71 S N -0.922 114.838 115.700 0.100 0.000 2.524 71 S HA 0.215 -10.508 4.470 -25.321 0.000 0.222 71 S C 0.247 174.710 174.600 -0.229 0.000 1.040 71 S CA -0.314 57.843 58.200 -0.071 0.000 0.915 71 S CB 1.063 64.188 63.200 -0.124 0.000 0.831 71 S HN 0.024 nan 8.310 nan 0.000 0.492 72 F N 0.196 120.170 119.950 0.041 0.000 2.551 72 F HA 0.562 -10.103 4.527 -25.321 0.000 0.316 72 F C 1.348 177.176 175.800 0.047 0.000 1.089 72 F CA -0.932 57.096 58.000 0.047 0.000 0.915 72 F CB 1.442 40.476 39.000 0.057 0.000 1.186 72 F HN 0.059 nan 8.300 nan 0.000 0.456 73 G N 0.501 109.427 108.800 0.210 0.000 2.421 73 G HA2 0.056 -11.177 3.960 -25.321 0.000 0.217 73 G HA3 0.056 -11.177 3.960 -25.321 0.000 0.217 73 G C 0.118 175.100 174.900 0.138 0.000 1.143 73 G CA 0.634 45.812 45.100 0.130 0.000 0.784 73 G HN 0.494 nan 8.290 nan 0.000 0.541 74 T N 0.164 114.826 114.554 0.181 0.000 2.881 74 T HA 0.508 -10.335 4.350 -25.321 0.000 0.291 74 T C -0.599 174.209 174.700 0.180 0.000 0.990 74 T CA -0.491 61.704 62.100 0.158 0.000 0.976 74 T CB 2.181 71.134 68.868 0.142 0.000 0.970 74 T HN 0.398 nan 8.240 nan 0.000 0.438 75 V N 0.748 120.738 119.914 0.126 0.000 2.815 75 V HA 0.958 -10.115 4.120 -25.321 0.000 0.314 75 V C -0.649 175.483 176.094 0.062 0.000 1.064 75 V CA -0.938 61.402 62.300 0.067 0.000 0.952 75 V CB 2.040 33.871 31.823 0.014 0.000 1.020 75 V HN 0.924 nan 8.190 nan 0.000 0.439 76 E N 1.069 121.259 120.200 -0.017 0.000 2.413 76 E HA 0.777 -10.066 4.350 -25.321 0.000 0.277 76 E C -0.556 175.958 176.600 -0.143 0.000 0.958 76 E CA -0.277 56.111 56.400 -0.019 0.000 0.779 76 E CB 2.310 32.092 29.700 0.136 0.000 1.278 76 E HN 1.286 nan 8.360 nan 0.000 0.456 77 G N 1.169 109.904 108.800 -0.109 0.000 2.574 77 G HA2 0.646 -10.587 3.960 -25.321 0.000 0.299 77 G HA3 0.646 -10.587 3.960 -25.321 0.000 0.299 77 G C -1.885 172.953 174.900 -0.104 0.000 1.298 77 G CA -0.630 44.382 45.100 -0.147 0.000 0.952 77 G HN 0.406 nan 8.290 nan 0.000 0.477 78 L N 0.159 121.262 121.223 -0.198 0.000 2.410 78 L HA 0.900 -9.953 4.340 -25.321 0.000 0.270 78 L C -1.135 175.617 176.870 -0.197 0.000 0.983 78 L CA -0.699 54.012 54.840 -0.216 0.000 0.822 78 L CB 2.367 44.115 42.059 -0.518 0.000 1.285 78 L HN 0.607 nan 8.230 nan 0.000 0.409 79 E N 3.177 123.312 120.200 -0.108 0.000 2.321 79 E HA 0.278 -10.565 4.350 -25.321 0.000 0.281 79 E C -0.942 175.676 176.600 0.030 0.000 0.910 79 E CA -0.522 55.831 56.400 -0.077 0.000 0.770 79 E CB 1.666 31.313 29.700 -0.088 0.000 1.225 79 E HN 0.563 nan 8.360 nan 0.000 0.417 80 L N 2.850 124.074 121.223 0.001 0.000 2.209 80 L HA 0.350 -10.502 4.340 -25.321 0.000 0.207 80 L C 0.573 177.547 176.870 0.174 0.000 1.094 80 L CA 1.073 55.944 54.840 0.052 0.000 0.790 80 L CB 0.102 42.161 42.059 -0.000 0.000 0.932 80 L HN 0.434 nan 8.230 nan 0.000 0.447 81 S N -0.569 115.192 115.700 0.102 0.000 2.439 81 S HA 0.452 -10.271 4.470 -25.321 0.000 0.282 81 S C 1.449 176.054 174.600 0.009 0.000 1.170 81 S CA -0.092 58.168 58.200 0.099 0.000 1.054 81 S CB 1.251 64.500 63.200 0.080 0.000 0.956 81 S HN 0.442 nan 8.310 nan 0.000 0.490 82 A N 4.734 127.528 122.820 -0.044 0.000 1.917 82 A HA -0.117 -10.990 4.320 -25.321 0.000 0.219 82 A C 1.754 179.240 177.584 -0.163 0.000 1.182 82 A CA 2.047 53.900 52.037 -0.307 0.000 0.633 82 A CB -0.689 18.155 19.000 -0.261 0.000 0.819 82 A HN 0.846 nan 8.150 nan 0.000 0.448 83 D N -0.618 119.736 120.400 -0.076 0.000 2.123 83 D HA -0.099 -10.652 4.640 -25.321 0.000 0.200 83 D C 2.035 178.293 176.300 -0.071 0.000 0.976 83 D CA 1.047 55.010 54.000 -0.062 0.000 0.831 83 D CB -0.365 40.419 40.800 -0.028 0.000 0.974 83 D HN 0.268 nan 8.370 nan 0.000 0.469 84 M N 0.300 119.857 119.600 -0.071 0.000 2.108 84 M HA -0.116 -10.829 4.480 -25.321 0.000 0.261 84 M C 2.261 178.484 176.300 -0.127 0.000 1.066 84 M CA 0.807 56.035 55.300 -0.120 0.000 1.107 84 M CB -0.958 31.538 32.600 -0.174 0.000 1.356 84 M HN 0.084 nan 8.290 nan 0.000 0.406 85 L N 0.617 121.765 121.223 -0.125 0.000 2.141 85 L HA -0.021 -10.873 4.340 -25.321 0.000 0.209 85 L C 2.429 179.225 176.870 -0.124 0.000 1.094 85 L CA 1.756 56.518 54.840 -0.130 0.000 0.763 85 L CB -0.801 41.170 42.059 -0.147 0.000 0.908 85 L HN 0.217 nan 8.230 nan 0.000 0.437 86 A N -0.215 122.533 122.820 -0.120 0.000 1.898 86 A HA -0.140 -11.013 4.320 -25.321 0.000 0.216 86 A C 2.234 179.768 177.584 -0.084 0.000 1.181 86 A CA 1.962 53.939 52.037 -0.100 0.000 0.620 86 A CB -0.741 18.206 19.000 -0.089 0.000 0.819 86 A HN 0.495 nan 8.150 nan 0.000 0.442 87 I N -0.365 120.155 120.570 -0.083 0.000 2.252 87 I HA -0.232 -11.254 4.170 -25.321 0.000 0.245 87 I C 2.998 179.064 176.117 -0.086 0.000 1.102 87 I CA 0.914 62.170 61.300 -0.075 0.000 1.385 87 I CB -0.478 37.482 38.000 -0.066 0.000 1.064 87 I HN 0.354 nan 8.210 nan 0.000 0.414 88 A N 1.263 124.022 122.820 -0.102 0.000 1.873 88 A HA -0.251 -11.124 4.320 -25.321 0.000 0.218 88 A C 2.408 179.935 177.584 -0.094 0.000 1.193 88 A CA 1.803 53.776 52.037 -0.106 0.000 0.629 88 A CB -0.707 18.222 19.000 -0.117 0.000 0.826 88 A HN 0.310 nan 8.150 nan 0.000 0.447 89 R N -0.724 119.721 120.500 -0.092 0.000 2.096 89 R HA -0.208 -11.060 4.340 -25.321 0.000 0.240 89 R C 2.551 178.809 176.300 -0.070 0.000 1.139 89 R CA 1.886 57.936 56.100 -0.083 0.000 0.952 89 R CB -0.454 29.795 30.300 -0.084 0.000 0.854 89 R HN 0.744 nan 8.270 nan 0.000 0.436 90 R N 1.108 121.569 120.500 -0.066 0.000 2.127 90 R HA -0.171 -11.024 4.340 -25.321 0.000 0.238 90 R C 2.148 178.412 176.300 -0.059 0.000 1.134 90 R CA 1.919 57.985 56.100 -0.056 0.000 0.975 90 R CB -0.256 30.014 30.300 -0.051 0.000 0.865 90 R HN 0.129 nan 8.270 nan 0.000 0.447 91 R N 0.046 120.504 120.500 -0.070 0.000 2.161 91 R HA 0.061 -10.792 4.340 -25.321 0.000 0.213 91 R C 0.089 176.344 176.300 -0.076 0.000 1.055 91 R CA 0.960 57.014 56.100 -0.078 0.000 0.996 91 R CB 0.278 30.520 30.300 -0.097 0.000 0.901 91 R HN 0.260 nan 8.270 nan 0.000 0.456 92 N N 1.215 119.872 118.700 -0.071 0.000 2.818 92 N HA 0.134 -10.319 4.740 -25.321 0.000 0.301 92 N C -2.272 173.207 175.510 -0.052 0.000 1.821 92 N CA -1.082 51.931 53.050 -0.062 0.000 0.930 92 N CB 1.706 40.154 38.487 -0.066 0.000 1.263 92 N HN 0.210 nan 8.380 nan 0.000 0.487 93 P HA -0.104 nan 4.420 nan 0.000 0.218 93 P C 0.334 177.615 177.300 -0.032 0.000 1.146 93 P CA 1.350 64.426 63.100 -0.039 0.000 0.813 93 P CB 0.486 32.166 31.700 -0.033 0.000 0.778 94 D N -1.005 119.380 120.400 -0.025 0.000 2.369 94 D HA 0.197 -10.355 4.640 -25.321 0.000 0.211 94 D C 0.917 177.210 176.300 -0.012 0.000 1.077 94 D CA 0.059 54.050 54.000 -0.015 0.000 0.842 94 D CB 0.380 41.177 40.800 -0.005 0.000 0.947 94 D HN 0.128 nan 8.370 nan 0.000 0.509 95 A N 0.614 123.421 122.820 -0.022 0.000 2.286 95 A HA 0.442 -10.431 4.320 -25.321 0.000 0.286 95 A C 0.232 177.785 177.584 -0.052 0.000 1.097 95 A CA -0.413 51.612 52.037 -0.021 0.000 0.821 95 A CB 1.054 20.038 19.000 -0.026 0.000 1.076 95 A HN -0.046 nan 8.150 nan 0.000 0.490 96 V N 2.052 121.932 119.914 -0.056 0.000 2.432 96 V HA 0.262 -10.811 4.120 -25.321 0.000 0.271 96 V C -0.616 175.317 176.094 -0.270 0.000 1.046 96 V CA 0.021 62.227 62.300 -0.158 0.000 0.945 96 V CB 0.490 32.235 31.823 -0.130 0.000 0.992 96 V HN 0.596 nan 8.190 nan 0.000 0.471 97 L N 6.066 127.099 121.223 -0.316 0.000 2.342 97 L HA 0.482 -10.371 4.340 -25.321 0.000 0.276 97 L C 0.032 176.707 176.870 -0.324 0.000 0.997 97 L CA -0.183 54.491 54.840 -0.278 0.000 0.838 97 L CB 1.193 43.158 42.059 -0.156 0.000 1.224 97 L HN 0.585 nan 8.230 nan 0.000 0.416 98 H N 2.083 121.134 119.070 -0.031 0.000 2.548 98 H HA 0.182 -10.455 4.556 -25.322 0.000 0.331 98 H C -0.448 174.901 175.328 0.034 0.000 1.093 98 H CA -0.343 55.707 56.048 0.004 0.000 1.367 98 H CB 1.172 30.931 29.762 -0.006 0.000 1.455 98 H HN 0.580 nan 8.280 nan 0.000 0.519 99 H N 1.724 120.826 119.070 0.054 0.000 2.864 99 H HA 0.364 -10.273 4.556 -25.322 0.000 0.281 99 H C -0.046 175.295 175.328 0.022 0.000 1.093 99 H CA -0.310 55.745 56.048 0.012 0.000 1.453 99 H CB 0.078 29.845 29.762 0.008 0.000 1.462 99 H HN 0.925 nan 8.280 nan 0.000 0.480 100 G N 3.683 112.433 108.800 -0.083 0.000 2.428 100 G HA2 0.014 -11.219 3.960 -25.321 0.000 0.304 100 G HA3 0.014 -11.219 3.960 -25.321 0.000 0.304 100 G C -1.889 172.938 174.900 -0.123 0.000 1.303 100 G CA -0.699 44.323 45.100 -0.131 0.000 0.825 100 G HN 0.532 nan 8.290 nan 0.000 0.484 101 D N 0.399 120.760 120.400 -0.064 0.000 2.492 101 D HA 0.315 -10.238 4.640 -25.321 0.000 0.248 101 D C 1.735 178.064 176.300 0.048 0.000 1.101 101 D CA -0.643 53.343 54.000 -0.023 0.000 0.840 101 D CB 1.709 42.513 40.800 0.007 0.000 1.209 101 D HN 0.516 nan 8.370 nan 0.000 0.524 102 M N 2.849 122.456 119.600 0.011 0.000 2.358 102 M HA -0.068 -10.781 4.480 -25.321 0.000 0.264 102 M C 1.096 177.563 176.300 0.278 0.000 1.064 102 M CA 1.083 56.474 55.300 0.151 0.000 1.093 102 M CB 0.044 32.747 32.600 0.171 0.000 1.401 102 M HN 0.134 nan 8.290 nan 0.000 0.440 103 R N 0.772 121.350 120.500 0.130 0.000 2.148 103 R HA -0.021 -10.874 4.340 -25.321 0.000 0.227 103 R C -0.136 176.205 176.300 0.069 0.000 1.103 103 R CA 1.222 57.356 56.100 0.056 0.000 0.983 103 R CB -0.065 30.247 30.300 0.020 0.000 0.874 103 R HN 0.458 nan 8.270 nan 0.000 0.451 104 D N -0.425 120.066 120.400 0.153 0.000 2.474 104 D HA 0.096 -10.457 4.640 -25.321 0.000 0.234 104 D C -1.520 174.878 176.300 0.163 0.000 1.323 104 D CA -0.533 53.514 54.000 0.078 0.000 0.915 104 D CB 0.099 40.921 40.800 0.037 0.000 1.487 104 D HN -0.005 nan 8.370 nan 0.000 0.524 105 F N 0.185 120.133 119.950 -0.004 0.000 2.631 105 F HA 0.814 -9.852 4.527 -25.322 0.000 0.308 105 F C -1.358 174.483 175.800 0.069 0.000 1.097 105 F CA -0.976 57.013 58.000 -0.018 0.000 0.952 105 F CB 2.045 40.992 39.000 -0.087 0.000 1.307 105 F HN -0.021 nan 8.300 nan 0.000 0.450 106 S N 3.402 119.158 115.700 0.093 0.000 2.680 106 S HA 0.472 -10.251 4.470 -25.321 0.000 0.262 106 S C -0.609 174.102 174.600 0.184 0.000 1.138 106 S CA -0.622 57.637 58.200 0.099 0.000 1.072 106 S CB 0.520 63.721 63.200 0.002 0.000 1.097 106 S HN 0.847 nan 8.310 nan 0.000 0.468 107 L N 3.511 124.974 121.223 0.399 0.000 2.640 107 L HA 0.363 -10.490 4.340 -25.321 0.000 0.230 107 L C 1.808 178.763 176.870 0.142 0.000 1.123 107 L CA 0.247 55.207 54.840 0.201 0.000 0.900 107 L CB -0.153 42.045 42.059 0.233 0.000 1.146 107 L HN 0.938 nan 8.230 nan 0.000 0.484 108 G N 2.151 110.988 108.800 0.062 0.000 2.212 108 G HA2 -0.312 -11.545 3.960 -25.321 0.000 0.267 108 G HA3 -0.312 -11.545 3.960 -25.321 0.000 0.267 108 G C 0.350 175.236 174.900 -0.023 0.000 1.002 108 G CA 0.978 46.070 45.100 -0.014 0.000 0.729 108 G HN 0.582 nan 8.290 nan 0.000 0.517 109 R N -2.173 118.332 120.500 0.007 0.000 2.781 109 R HA 0.829 -10.024 4.340 -25.321 0.000 0.269 109 R C -0.737 175.507 176.300 -0.093 0.000 1.025 109 R CA -1.249 54.800 56.100 -0.085 0.000 0.914 109 R CB 1.240 31.456 30.300 -0.140 0.000 1.236 109 R HN 0.146 nan 8.270 nan 0.000 0.465 110 R N 0.273 120.629 120.500 -0.240 0.000 2.854 110 R HA 0.567 -10.286 4.340 -25.321 0.000 0.271 110 R C -1.283 174.814 176.300 -0.338 0.000 0.994 110 R CA -0.685 55.362 56.100 -0.089 0.000 0.945 110 R CB 1.755 32.031 30.300 -0.041 0.000 1.194 110 R HN 0.361 nan 8.270 nan 0.000 0.476 111 F N -1.102 118.891 119.950 0.072 0.000 2.593 111 F HA 0.289 -10.376 4.527 -25.319 0.000 0.320 111 F C 1.287 177.118 175.800 0.052 0.000 1.060 111 F CA -0.694 57.340 58.000 0.056 0.000 0.940 111 F CB 2.142 41.163 39.000 0.034 0.000 1.268 111 F HN 0.436 nan 8.300 nan 0.000 0.475 112 S N 0.589 116.425 115.700 0.227 0.000 2.399 112 S HA 0.141 -10.582 4.470 -25.321 0.000 0.231 112 S C 0.489 175.186 174.600 0.163 0.000 1.022 112 S CA 1.172 59.483 58.200 0.185 0.000 0.983 112 S CB -0.123 63.214 63.200 0.228 0.000 0.803 112 S HN 0.616 nan 8.310 nan 0.000 0.480 113 A N 0.741 123.634 122.820 0.121 0.000 2.422 113 A HA 0.671 -10.202 4.320 -25.321 0.000 0.302 113 A C -1.095 176.454 177.584 -0.057 0.000 1.041 113 A CA -0.509 51.534 52.037 0.011 0.000 0.708 113 A CB 1.537 20.477 19.000 -0.099 0.000 1.257 113 A HN 0.056 nan 8.150 nan 0.000 0.414 114 V N 2.638 122.506 119.914 -0.076 0.000 2.378 114 V HA 0.676 -10.397 4.120 -25.321 0.000 0.288 114 V C 0.291 176.215 176.094 -0.284 0.000 1.016 114 V CA -0.042 62.127 62.300 -0.219 0.000 0.840 114 V CB 1.530 33.261 31.823 -0.154 0.000 0.994 114 V HN 1.123 nan 8.190 nan 0.000 0.431 115 T N 0.730 115.069 114.554 -0.358 0.000 2.932 115 T HA 0.658 -10.185 4.350 -25.321 0.000 0.289 115 T C -0.656 173.817 174.700 -0.379 0.000 1.039 115 T CA -0.813 61.105 62.100 -0.304 0.000 1.024 115 T CB 1.818 70.528 68.868 -0.263 0.000 1.090 115 T HN 0.731 nan 8.240 nan 0.000 0.496 116 C N 5.002 124.150 119.300 -0.253 0.000 2.892 116 C HA 0.648 -10.085 4.460 -25.321 0.000 0.360 116 C C -1.039 173.928 174.990 -0.037 0.000 1.054 116 C CA -0.667 58.243 59.018 -0.181 0.000 1.326 116 C CB -0.356 27.278 27.740 -0.176 0.000 1.806 116 C HN 0.939 nan 8.230 nan 0.000 0.490 117 M N 4.712 124.302 119.600 -0.016 0.000 2.598 117 M HA 0.545 -10.168 4.480 -25.321 0.000 0.317 117 M C 0.321 176.757 176.300 0.226 0.000 1.201 117 M CA -0.900 54.428 55.300 0.046 0.000 0.971 117 M CB 0.759 33.320 32.600 -0.066 0.000 1.657 117 M HN 0.752 nan 8.290 nan 0.000 0.470 118 F N 1.233 121.197 119.950 0.023 0.000 3.043 118 F HA -0.301 -10.957 4.527 -25.305 0.000 0.290 118 F C 0.442 176.288 175.800 0.077 0.000 0.844 118 F CA 1.007 59.033 58.000 0.043 0.000 1.184 118 F CB -2.023 37.019 39.000 0.070 0.000 1.246 118 F HN 0.814 nan 8.300 nan 0.000 0.536 119 S N -1.839 113.936 115.700 0.125 0.000 3.490 119 S HA -0.252 -10.975 4.470 -25.321 0.000 0.301 119 S C 1.345 175.970 174.600 0.042 0.000 1.233 119 S CA 0.954 59.227 58.200 0.121 0.000 0.914 119 S CB -1.735 61.593 63.200 0.214 0.000 1.047 119 S HN 0.691 nan 8.310 nan 0.000 0.602 120 S N 0.613 116.339 115.700 0.043 0.000 2.399 120 S HA -0.026 -10.749 4.470 -25.321 0.000 0.231 120 S C 1.695 176.332 174.600 0.062 0.000 1.022 120 S CA 1.188 59.384 58.200 -0.006 0.000 0.983 120 S CB -0.232 62.961 63.200 -0.012 0.000 0.803 120 S HN 0.599 nan 8.310 nan 0.000 0.480 121 I N 2.206 122.868 120.570 0.154 0.000 2.399 121 I HA -0.164 -11.186 4.170 -25.321 0.000 0.254 121 I C 2.020 178.304 176.117 0.279 0.000 1.146 121 I CA 1.061 62.500 61.300 0.231 0.000 1.412 121 I CB -0.466 37.726 38.000 0.321 0.000 1.076 121 I HN 0.317 nan 8.210 nan 0.000 0.432 122 G N -0.590 108.346 108.800 0.226 0.000 2.848 122 G HA2 -0.185 -11.418 3.960 -25.321 0.000 0.208 122 G HA3 -0.185 -11.418 3.960 -25.321 0.000 0.208 122 G C 1.341 176.238 174.900 -0.005 0.000 1.152 122 G CA 0.261 45.455 45.100 0.156 0.000 0.789 122 G HN 0.479 nan 8.290 nan 0.000 0.531 123 N N -0.313 118.399 118.700 0.020 0.000 2.512 123 N HA 0.066 -10.387 4.740 -25.321 0.000 0.183 123 N C 0.415 175.963 175.510 0.063 0.000 1.073 123 N CA -0.144 52.918 53.050 0.020 0.000 0.911 123 N CB 0.009 38.516 38.487 0.034 0.000 0.964 123 N HN 0.275 nan 8.380 nan 0.000 0.447 124 L N 0.075 121.382 121.223 0.140 0.000 2.395 124 L HA 0.182 -10.671 4.340 -25.321 0.000 0.269 124 L C 1.331 178.314 176.870 0.187 0.000 1.133 124 L CA -0.475 54.467 54.840 0.170 0.000 0.812 124 L CB 1.208 43.389 42.059 0.203 0.000 1.125 124 L HN -0.031 nan 8.230 nan 0.000 0.452 125 A N 1.972 124.867 122.820 0.126 0.000 2.081 125 A HA 0.445 -10.428 4.320 -25.321 0.000 0.214 125 A C 0.841 178.452 177.584 0.044 0.000 1.158 125 A CA 0.923 52.987 52.037 0.045 0.000 0.724 125 A CB -0.012 18.999 19.000 0.020 0.000 0.826 125 A HN 0.859 nan 8.150 nan 0.000 0.463 126 G N -2.473 106.452 108.800 0.209 0.000 2.506 126 G HA2 0.365 -10.868 3.960 -25.321 0.000 0.292 126 G HA3 0.365 -10.868 3.960 -25.321 0.000 0.292 126 G C -0.054 175.019 174.900 0.288 0.000 1.425 126 G CA 0.289 45.516 45.100 0.210 0.000 0.788 126 G HN -0.028 nan 8.290 nan 0.000 0.490 127 Q N -0.094 119.820 119.800 0.190 0.000 2.152 127 Q HA -0.076 -10.928 4.340 -25.321 0.000 0.206 127 Q C 2.616 178.584 176.000 -0.053 0.000 0.985 127 Q CA 3.413 59.229 55.803 0.021 0.000 0.863 127 Q CB -0.344 28.396 28.738 0.003 0.000 0.904 127 Q HN 0.867 nan 8.270 nan 0.000 0.422 128 A N 0.230 123.040 122.820 -0.017 0.000 1.873 128 A HA -0.192 -11.065 4.320 -25.321 0.000 0.215 128 A C 1.927 179.475 177.584 -0.061 0.000 1.186 128 A CA 1.558 53.570 52.037 -0.042 0.000 0.616 128 A CB -0.562 18.425 19.000 -0.022 0.000 0.823 128 A HN 0.544 nan 8.150 nan 0.000 0.442 129 E N -0.776 119.406 120.200 -0.030 0.000 2.110 129 E HA -0.183 -11.026 4.350 -25.321 0.000 0.193 129 E C 1.942 178.469 176.600 -0.122 0.000 0.988 129 E CA 1.204 57.579 56.400 -0.043 0.000 0.804 129 E CB -0.231 29.481 29.700 0.020 0.000 0.745 129 E HN 0.498 nan 8.360 nan 0.000 0.458 130 L N 1.611 122.721 121.223 -0.188 0.000 2.027 130 L HA -0.153 -11.006 4.340 -25.321 0.000 0.206 130 L C 1.526 178.194 176.870 -0.336 0.000 1.074 130 L CA 1.876 56.493 54.840 -0.372 0.000 0.745 130 L CB -0.294 41.321 42.059 -0.740 0.000 0.898 130 L HN -0.074 nan 8.230 nan 0.000 0.433 131 D N 0.017 120.262 120.400 -0.258 0.000 2.123 131 D HA -0.182 -10.735 4.640 -25.321 0.000 0.196 131 D C 2.205 178.364 176.300 -0.235 0.000 0.992 131 D CA 1.613 55.478 54.000 -0.225 0.000 0.833 131 D CB -0.283 40.427 40.800 -0.151 0.000 0.954 131 D HN 0.496 nan 8.370 nan 0.000 0.455 132 A N 0.787 123.489 122.820 -0.196 0.000 1.902 132 A HA -0.024 -10.897 4.320 -25.321 0.000 0.217 132 A C 2.284 179.713 177.584 -0.258 0.000 1.181 132 A CA 2.212 54.141 52.037 -0.181 0.000 0.623 132 A CB -0.668 18.263 19.000 -0.115 0.000 0.818 132 A HN 0.243 nan 8.150 nan 0.000 0.443 133 A N -0.528 122.088 122.820 -0.340 0.000 1.898 133 A HA 0.041 -10.831 4.320 -25.321 0.000 0.216 133 A C 2.038 178.997 177.584 -1.042 0.000 1.181 133 A CA 1.358 53.051 52.037 -0.574 0.000 0.620 133 A CB -0.480 18.200 19.000 -0.532 0.000 0.819 133 A HN 0.375 nan 8.150 nan 0.000 0.442 134 L N 0.076 120.797 121.223 -0.836 0.000 2.079 134 L HA -0.165 -11.018 4.340 -25.321 0.000 0.210 134 L C 2.610 179.203 176.870 -0.461 0.000 1.081 134 L CA 2.103 56.466 54.840 -0.793 0.000 0.752 134 L CB -1.074 40.601 42.059 -0.639 0.000 0.896 134 L HN 0.571 nan 8.230 nan 0.000 0.433 135 E N 0.174 120.175 120.200 -0.332 0.000 2.150 135 E HA -0.200 -11.043 4.350 -25.321 0.000 0.193 135 E C 2.100 178.607 176.600 -0.154 0.000 0.985 135 E CA 0.693 56.975 56.400 -0.196 0.000 0.814 135 E CB 0.193 29.796 29.700 -0.161 0.000 0.752 135 E HN 0.280 nan 8.360 nan 0.000 0.466 136 R N 0.085 120.465 120.500 -0.199 0.000 2.092 136 R HA -0.071 -10.924 4.340 -25.321 0.000 0.231 136 R C 2.280 178.691 176.300 0.184 0.000 1.119 136 R CA 0.671 56.701 56.100 -0.117 0.000 0.970 136 R CB -1.093 29.059 30.300 -0.246 0.000 0.864 136 R HN 0.248 nan 8.270 nan 0.000 0.440 137 F N 0.971 120.933 119.950 0.021 0.000 2.134 137 F HA -0.030 -10.698 4.527 -25.325 0.000 0.299 137 F C 2.431 178.260 175.800 0.048 0.000 1.097 137 F CA 0.540 58.576 58.000 0.060 0.000 1.264 137 F CB -1.397 37.575 39.000 -0.046 0.000 1.001 137 F HN 0.050 nan 8.300 nan 0.000 0.479 138 A N -0.028 122.878 122.820 0.143 0.000 1.969 138 A HA 0.081 -10.792 4.320 -25.321 0.000 0.218 138 A C 2.376 179.986 177.584 0.043 0.000 1.169 138 A CA 1.383 53.459 52.037 0.065 0.000 0.635 138 A CB -1.076 17.918 19.000 -0.009 0.000 0.810 138 A HN 0.254 nan 8.150 nan 0.000 0.445 139 A N -1.531 121.297 122.820 0.013 0.000 2.172 139 A HA -0.016 -10.889 4.320 -25.321 0.000 0.216 139 A C 1.463 178.901 177.584 -0.244 0.000 1.154 139 A CA 1.510 53.474 52.037 -0.122 0.000 0.701 139 A CB -0.576 18.303 19.000 -0.202 0.000 0.789 139 A HN 0.665 nan 8.150 nan 0.000 0.465 140 H N -2.650 116.459 119.070 0.065 0.000 2.784 140 H HA 0.393 -10.243 4.556 -25.321 0.000 0.273 140 H C -0.279 175.192 175.328 0.239 0.000 1.112 140 H CA -0.084 56.072 56.048 0.180 0.000 1.162 140 H CB 0.735 30.653 29.762 0.259 0.000 1.586 140 H HN 0.177 nan 8.280 nan 0.000 0.548 141 V N 1.714 121.757 119.914 0.215 0.000 2.532 141 V HA 0.259 -10.814 4.120 -25.321 0.000 0.295 141 V C -0.142 176.017 176.094 0.108 0.000 1.041 141 V CA -0.813 61.594 62.300 0.178 0.000 0.926 141 V CB 1.091 33.001 31.823 0.146 0.000 0.992 141 V HN 0.229 nan 8.190 nan 0.000 0.457 142 L N 7.612 128.897 121.223 0.103 0.000 2.452 142 L HA 0.286 -10.566 4.340 -25.321 0.000 0.267 142 L C -1.359 175.546 176.870 0.059 0.000 1.188 142 L CA -1.286 53.589 54.840 0.059 0.000 0.821 142 L CB 0.668 42.760 42.059 0.054 0.000 1.102 142 L HN 0.499 nan 8.230 nan 0.000 0.470 143 P HA -0.128 nan 4.420 nan 0.000 0.222 143 P C 0.105 177.436 177.300 0.052 0.000 1.147 143 P CA 1.043 64.167 63.100 0.040 0.000 0.790 143 P CB 0.069 31.785 31.700 0.025 0.000 0.780 144 D N -2.425 118.010 120.400 0.058 0.000 2.462 144 D HA 0.168 -10.385 4.640 -25.321 0.000 0.221 144 D C 0.947 177.301 176.300 0.089 0.000 1.173 144 D CA -0.260 53.781 54.000 0.068 0.000 0.831 144 D CB -0.335 40.500 40.800 0.058 0.000 1.001 144 D HN -0.040 nan 8.370 nan 0.000 0.499 145 G N -0.202 108.655 108.800 0.095 0.000 2.531 145 G HA2 0.538 -10.695 3.960 -25.321 0.000 0.281 145 G HA3 0.538 -10.695 3.960 -25.321 0.000 0.281 145 G C -0.858 174.111 174.900 0.115 0.000 1.382 145 G CA -0.634 44.536 45.100 0.116 0.000 1.045 145 G HN 0.214 nan 8.290 nan 0.000 0.533 146 V N -1.208 118.774 119.914 0.115 0.000 2.932 146 V HA 0.573 -10.500 4.120 -25.321 0.000 0.307 146 V C -1.076 175.070 176.094 0.088 0.000 1.147 146 V CA -0.670 61.686 62.300 0.094 0.000 0.951 146 V CB 2.075 33.951 31.823 0.088 0.000 1.031 146 V HN 0.558 nan 8.190 nan 0.000 0.426 147 V N 6.570 126.555 119.914 0.119 0.000 2.427 147 V HA 0.590 -10.483 4.120 -25.321 0.000 0.286 147 V C -0.282 175.923 176.094 0.185 0.000 1.034 147 V CA -0.399 61.981 62.300 0.134 0.000 0.893 147 V CB 1.669 33.603 31.823 0.185 0.000 0.982 147 V HN 0.682 nan 8.190 nan 0.000 0.452 148 V N 5.577 125.551 119.914 0.101 0.000 2.487 148 V HA 0.562 -10.511 4.120 -25.321 0.000 0.298 148 V C -0.392 175.789 176.094 0.145 0.000 1.028 148 V CA -0.551 61.819 62.300 0.117 0.000 0.860 148 V CB 1.952 33.783 31.823 0.013 0.000 0.991 148 V HN 0.587 nan 8.190 nan 0.000 0.427 149 V N 3.793 123.883 119.914 0.293 0.000 2.531 149 V HA 0.407 -10.666 4.120 -25.321 0.000 0.301 149 V C -0.140 176.095 176.094 0.235 0.000 1.034 149 V CA -0.648 61.823 62.300 0.285 0.000 0.865 149 V CB 1.988 34.087 31.823 0.459 0.000 0.995 149 V HN 0.969 nan 8.190 nan 0.000 0.424 150 E N 7.643 127.925 120.200 0.136 0.000 2.089 150 E HA 0.352 -10.491 4.350 -25.321 0.000 0.284 150 E C -2.374 174.290 176.600 0.105 0.000 1.023 150 E CA -1.790 54.663 56.400 0.088 0.000 0.819 150 E CB 1.457 31.187 29.700 0.049 0.000 1.076 150 E HN 0.431 nan 8.360 nan 0.000 0.396 151 P HA -0.023 nan 4.420 nan 0.000 0.275 151 P C -0.302 177.071 177.300 0.122 0.000 1.266 151 P CA -0.500 62.617 63.100 0.027 0.000 0.793 151 P CB 0.634 32.195 31.700 -0.233 0.000 1.074 152 W N 0.776 122.135 121.300 0.098 0.000 1.966 152 W HA 0.155 -10.419 4.660 -25.390 0.000 0.367 152 W C -0.334 176.086 176.519 -0.166 0.000 1.451 152 W CA -0.801 56.502 57.345 -0.071 0.000 1.538 152 W CB 0.278 29.800 29.460 0.104 0.000 1.251 152 W HN 0.296 nan 8.180 nan 0.000 0.671 153 W N 2.021 122.844 121.300 -0.796 0.000 2.209 153 W HA 0.011 -10.483 4.660 -25.257 0.000 0.344 153 W C -0.141 176.263 176.519 -0.192 0.000 1.285 153 W CA -0.511 56.456 57.345 -0.629 0.000 1.267 153 W CB -0.254 28.739 29.460 -0.778 0.000 1.167 153 W HN -0.086 nan 8.180 nan 0.000 0.574 154 F N 3.621 123.725 119.950 0.256 0.000 2.459 154 F HA 0.093 -10.576 4.527 -25.328 0.000 0.346 154 F C -0.800 175.122 175.800 0.203 0.000 1.128 154 F CA -2.648 55.485 58.000 0.223 0.000 1.268 154 F CB -0.620 38.471 39.000 0.151 0.000 1.161 154 F HN 0.161 nan 8.300 nan 0.000 0.583 155 P HA -0.249 nan 4.420 nan 0.000 0.216 155 P C 1.281 178.726 177.300 0.242 0.000 1.154 155 P CA 2.080 65.336 63.100 0.259 0.000 0.865 155 P CB -0.111 31.695 31.700 0.177 0.000 0.789 156 E N -0.005 120.324 120.200 0.216 0.000 2.338 156 E HA -0.154 -10.997 4.350 -25.321 0.000 0.197 156 E C 0.840 177.515 176.600 0.125 0.000 1.007 156 E CA 1.111 57.601 56.400 0.150 0.000 0.849 156 E CB -1.177 28.600 29.700 0.129 0.000 0.774 156 E HN 0.420 nan 8.360 nan 0.000 0.506 157 N N -0.375 118.431 118.700 0.176 0.000 2.205 157 N HA 0.099 -10.354 4.740 -25.321 0.000 0.201 157 N C -0.566 174.852 175.510 -0.154 0.000 1.128 157 N CA -0.429 52.666 53.050 0.075 0.000 0.867 157 N CB 0.224 38.847 38.487 0.227 0.000 0.996 157 N HN 0.021 nan 8.380 nan 0.000 0.503 158 F N 1.907 121.715 119.950 -0.237 0.000 2.396 158 F HA 0.296 4.811 4.527 -0.019 0.000 0.343 158 F C -0.099 175.515 175.800 -0.310 0.000 1.104 158 F CA -0.416 57.323 58.000 -0.435 0.000 1.161 158 F CB 0.877 39.768 39.000 -0.182 0.000 1.146 158 F HN -0.242 nan 8.300 nan 0.000 0.522 159 T N 8.330 122.102 114.554 -1.302 0.000 2.853 159 T HA 0.309 -10.534 4.350 -25.321 0.000 0.317 159 T C -2.561 171.344 174.700 -1.324 0.000 1.059 159 T CA -1.272 60.235 62.100 -0.988 0.000 0.954 159 T CB 0.582 69.154 68.868 -0.494 0.000 0.994 159 T HN 0.342 nan 8.240 nan 0.000 0.479 160 P HA 0.268 nan 4.420 nan 0.000 0.269 160 P C 1.093 178.220 177.300 -0.289 0.000 1.209 160 P CA 0.506 63.288 63.100 -0.531 0.000 0.776 160 P CB 0.408 32.034 31.700 -0.124 0.000 0.876 161 G N 0.531 109.196 108.800 -0.224 0.000 2.176 161 G HA2 -0.304 -11.537 3.960 -25.321 0.000 0.253 161 G HA3 -0.304 -11.537 3.960 -25.321 0.000 0.253 161 G C -0.058 174.725 174.900 -0.194 0.000 0.979 161 G CA -0.139 44.840 45.100 -0.202 0.000 0.641 161 G HN 0.603 nan 8.290 nan 0.000 0.530 162 Y N 0.899 121.016 120.300 -0.305 0.000 2.610 162 Y HA 0.403 -10.225 4.550 -25.298 0.000 0.332 162 Y C 0.416 176.253 175.900 -0.105 0.000 1.201 162 Y CA 0.397 58.382 58.100 -0.192 0.000 1.465 162 Y CB 0.795 39.132 38.460 -0.205 0.000 1.283 162 Y HN 0.154 nan 8.280 nan 0.000 0.563 163 V N 6.202 125.869 119.914 -0.412 0.000 2.540 163 V HA 0.736 -10.336 4.120 -25.321 0.000 0.302 163 V C -0.401 175.547 176.094 -0.244 0.000 1.035 163 V CA -0.650 61.560 62.300 -0.150 0.000 0.873 163 V CB 1.284 33.063 31.823 -0.073 0.000 0.992 163 V HN 0.942 nan 8.190 nan 0.000 0.428 164 A N 3.907 126.756 122.820 0.050 0.000 2.337 164 A HA 0.997 -9.876 4.320 -25.321 0.000 0.329 164 A C -0.249 177.365 177.584 0.049 0.000 1.146 164 A CA -0.279 51.818 52.037 0.100 0.000 0.800 164 A CB 1.578 20.749 19.000 0.285 0.000 1.220 164 A HN 1.494 nan 8.150 nan 0.000 0.472 165 A N 1.107 123.941 122.820 0.023 0.000 2.459 165 A HA 0.868 -10.005 4.320 -25.321 0.000 0.296 165 A C -0.216 177.377 177.584 0.016 0.000 1.039 165 A CA 0.106 52.149 52.037 0.010 0.000 0.698 165 A CB 1.444 20.441 19.000 -0.005 0.000 1.261 165 A HN 2.224 nan 8.150 nan 0.000 0.405 166 G N 0.087 108.895 108.800 0.013 0.000 2.720 166 G HA2 0.651 -10.581 3.960 -25.321 0.000 0.295 166 G HA3 0.651 -10.581 3.960 -25.321 0.000 0.295 166 G C -1.178 173.735 174.900 0.022 0.000 1.437 166 G CA -0.383 44.730 45.100 0.020 0.000 0.886 166 G HN 0.762 nan 8.290 nan 0.000 0.509 167 T N 0.095 114.666 114.554 0.028 0.000 2.881 167 T HA 0.654 -10.189 4.350 -25.321 0.000 0.290 167 T C -0.991 173.732 174.700 0.037 0.000 1.000 167 T CA -0.461 61.662 62.100 0.037 0.000 0.978 167 T CB 1.848 70.738 68.868 0.035 0.000 0.997 167 T HN 0.748 nan 8.240 nan 0.000 0.443 168 V N 3.004 122.944 119.914 0.044 0.000 3.001 168 V HA 0.778 -10.295 4.120 -25.321 0.000 0.314 168 V C -1.514 174.605 176.094 0.043 0.000 1.099 168 V CA -0.862 61.463 62.300 0.041 0.000 0.989 168 V CB 2.142 33.990 31.823 0.041 0.000 1.040 168 V HN 1.001 nan 8.190 nan 0.000 0.434 169 E N 4.065 124.287 120.200 0.036 0.000 2.293 169 E HA 0.851 -9.992 4.350 -25.321 0.000 0.270 169 E C -1.065 175.553 176.600 0.029 0.000 0.879 169 E CA -1.044 55.376 56.400 0.034 0.000 0.756 169 E CB 2.408 32.126 29.700 0.030 0.000 1.208 169 E HN 0.977 nan 8.360 nan 0.000 0.428 170 A N 1.101 123.938 122.820 0.028 0.000 2.513 170 A HA 0.652 -10.221 4.320 -25.321 0.000 0.296 170 A C 0.438 178.034 177.584 0.020 0.000 1.052 170 A CA -0.213 51.837 52.037 0.023 0.000 0.714 170 A CB 1.266 20.279 19.000 0.023 0.000 1.279 170 A HN 1.226 nan 8.150 nan 0.000 0.397 171 G N 0.870 109.680 108.800 0.016 0.000 2.221 171 G HA2 0.152 -11.081 3.960 -25.321 0.000 0.265 171 G HA3 0.152 -11.081 3.960 -25.321 0.000 0.265 171 G C 1.798 176.708 174.900 0.016 0.000 1.041 171 G CA 1.394 46.502 45.100 0.014 0.000 0.807 171 G HN 2.892 nan 8.290 nan 0.000 0.502 172 G N -2.084 106.726 108.800 0.018 0.000 2.205 172 G HA2 -0.204 -11.437 3.960 -25.321 0.000 0.269 172 G HA3 -0.204 -11.437 3.960 -25.321 0.000 0.269 172 G C 0.602 175.517 174.900 0.025 0.000 0.977 172 G CA 1.370 46.482 45.100 0.020 0.000 0.652 172 G HN 1.732 nan 8.290 nan 0.000 0.539 173 T N 1.930 116.500 114.554 0.026 0.000 2.794 173 T HA 0.510 -10.332 4.350 -25.321 0.000 0.296 173 T C 0.482 175.206 174.700 0.040 0.000 0.949 173 T CA 0.521 62.641 62.100 0.034 0.000 1.101 173 T CB 1.361 70.247 68.868 0.031 0.000 0.905 173 T HN 0.220 nan 8.240 nan 0.000 0.516 174 T N 3.216 117.799 114.554 0.049 0.000 2.837 174 T HA 0.545 -10.298 4.350 -25.321 0.000 0.285 174 T C -0.245 174.502 174.700 0.077 0.000 0.984 174 T CA -0.589 61.545 62.100 0.056 0.000 1.049 174 T CB 1.012 69.912 68.868 0.053 0.000 0.947 174 T HN 0.333 nan 8.240 nan 0.000 0.472 175 V N 3.194 123.159 119.914 0.085 0.000 2.525 175 V HA 0.481 -10.591 4.120 -25.321 0.000 0.299 175 V C -0.049 176.119 176.094 0.124 0.000 1.034 175 V CA -0.776 61.599 62.300 0.126 0.000 0.863 175 V CB 2.120 34.022 31.823 0.132 0.000 0.999 175 V HN 0.975 nan 8.190 nan 0.000 0.423 176 T N 5.170 119.810 114.554 0.144 0.000 2.855 176 T HA 0.632 -10.211 4.350 -25.321 0.000 0.281 176 T C -0.432 174.309 174.700 0.068 0.000 1.007 176 T CA -0.566 61.588 62.100 0.091 0.000 1.009 176 T CB 1.584 70.500 68.868 0.079 0.000 0.983 176 T HN 0.686 nan 8.240 nan 0.000 0.455 177 R N 2.244 122.724 120.500 -0.033 0.000 2.532 177 R HA 0.712 -10.141 4.340 -25.321 0.000 0.297 177 R C -2.005 174.216 176.300 -0.132 0.000 0.984 177 R CA -0.514 55.441 56.100 -0.242 0.000 0.884 177 R CB 1.219 31.334 30.300 -0.307 0.000 1.182 177 R HN 0.460 nan 8.270 nan 0.000 0.442 178 V N 3.198 123.043 119.914 -0.116 0.000 2.709 178 V HA 0.497 -10.575 4.120 -25.321 0.000 0.308 178 V C -0.559 175.557 176.094 0.038 0.000 1.062 178 V CA -0.640 61.652 62.300 -0.013 0.000 0.901 178 V CB 2.049 33.877 31.823 0.009 0.000 1.003 178 V HN 0.972 nan 8.190 nan 0.000 0.425 179 S N 2.964 118.723 115.700 0.099 0.000 2.599 179 S HA 0.755 -9.968 4.470 -25.321 0.000 0.294 179 S C -1.095 173.652 174.600 0.246 0.000 1.094 179 S CA -0.647 57.663 58.200 0.183 0.000 0.931 179 S CB 2.253 65.578 63.200 0.208 0.000 1.093 179 S HN 0.931 nan 8.310 nan 0.000 0.488 180 H N 0.324 119.495 119.070 0.168 0.000 2.894 180 H HA 0.602 -10.014 4.556 -25.287 0.000 0.367 180 H C -1.656 173.804 175.328 0.220 0.000 1.144 180 H CA -0.458 55.687 56.048 0.161 0.000 1.180 180 H CB 2.113 31.934 29.762 0.098 0.000 1.758 180 H HN 0.707 nan 8.280 nan 0.000 0.541 181 S N 2.223 117.770 115.700 -0.254 0.000 2.526 181 S HA 0.571 -10.151 4.470 -25.321 0.000 0.293 181 S C -0.838 173.782 174.600 0.035 0.000 1.092 181 S CA -0.656 57.599 58.200 0.090 0.000 0.980 181 S CB 1.874 65.304 63.200 0.384 0.000 1.048 181 S HN 0.639 nan 8.310 nan 0.000 0.483 182 S N 1.184 117.041 115.700 0.263 0.000 2.667 182 S HA 0.626 -10.097 4.470 -25.321 0.000 0.292 182 S C -0.701 174.119 174.600 0.367 0.000 1.126 182 S CA -1.024 57.352 58.200 0.293 0.000 0.881 182 S CB 1.245 64.589 63.200 0.239 0.000 1.132 182 S HN 0.605 nan 8.310 nan 0.000 0.492 183 R N 1.819 122.532 120.500 0.356 0.000 2.308 183 R HA 0.391 -10.462 4.340 -25.321 0.000 0.305 183 R C -0.610 175.770 176.300 0.132 0.000 1.053 183 R CA 0.068 56.333 56.100 0.275 0.000 0.957 183 R CB 0.253 30.720 30.300 0.277 0.000 1.022 183 R HN 0.766 nan 8.270 nan 0.000 0.461 184 E N 3.847 124.083 120.200 0.060 0.000 2.373 184 E HA 0.351 -10.492 4.350 -25.321 0.000 0.251 184 E C -0.006 176.598 176.600 0.007 0.000 0.923 184 E CA 0.009 56.431 56.400 0.037 0.000 0.798 184 E CB 0.575 30.291 29.700 0.026 0.000 1.303 184 E HN 0.881 nan 8.360 nan 0.000 0.412 185 G N 4.252 113.061 108.800 0.016 0.000 2.651 185 G HA2 -0.335 -11.567 3.960 -25.321 0.000 0.315 185 G HA3 -0.335 -11.567 3.960 -25.321 0.000 0.315 185 G C 0.355 175.251 174.900 -0.007 0.000 1.258 185 G CA 0.412 45.513 45.100 0.001 0.000 1.002 185 G HN 0.606 nan 8.290 nan 0.000 0.551 186 E N 2.189 122.366 120.200 -0.038 0.000 2.349 186 E HA 0.560 -10.283 4.350 -25.321 0.000 0.201 186 E C 0.767 177.306 176.600 -0.102 0.000 1.087 186 E CA 0.765 57.132 56.400 -0.055 0.000 1.128 186 E CB 0.084 29.738 29.700 -0.077 0.000 1.188 186 E HN 0.966 nan 8.360 nan 0.000 0.445 187 A N -0.242 122.522 122.820 -0.092 0.000 2.532 187 A HA 0.666 -10.207 4.320 -25.321 0.000 0.290 187 A C -0.242 177.253 177.584 -0.147 0.000 1.143 187 A CA -0.601 51.359 52.037 -0.129 0.000 0.728 187 A CB 1.323 20.237 19.000 -0.143 0.000 1.317 187 A HN 0.009 nan 8.150 nan 0.000 0.414 188 T N 1.224 115.665 114.554 -0.188 0.000 2.806 188 T HA 0.477 -10.366 4.350 -25.321 0.000 0.290 188 T C 0.031 174.684 174.700 -0.079 0.000 0.966 188 T CA -0.136 61.817 62.100 -0.244 0.000 1.060 188 T CB 0.601 69.375 68.868 -0.157 0.000 0.927 188 T HN 0.563 nan 8.240 nan 0.000 0.485 189 R N 3.436 123.948 120.500 0.019 0.000 2.196 189 R HA 0.499 -10.354 4.340 -25.321 0.000 0.340 189 R C -0.974 175.409 176.300 0.138 0.000 1.043 189 R CA -0.750 55.389 56.100 0.064 0.000 0.883 189 R CB -0.406 29.947 30.300 0.089 0.000 1.078 189 R HN 0.723 nan 8.270 nan 0.000 0.462 190 I N 2.833 123.483 120.570 0.134 0.000 2.389 190 I HA 0.373 -10.650 4.170 -25.321 0.000 0.288 190 I C -0.874 175.352 176.117 0.182 0.000 0.999 190 I CA -0.610 60.812 61.300 0.203 0.000 1.129 190 I CB 1.211 39.353 38.000 0.236 0.000 1.288 190 I HN 0.741 nan 8.210 nan 0.000 0.444 191 E N 7.113 127.443 120.200 0.215 0.000 2.151 191 E HA 0.565 -10.278 4.350 -25.321 0.000 0.275 191 E C -1.875 174.873 176.600 0.248 0.000 0.936 191 E CA -0.659 55.861 56.400 0.200 0.000 0.777 191 E CB 1.810 31.654 29.700 0.240 0.000 1.108 191 E HN 0.476 nan 8.360 nan 0.000 0.401 192 V N 5.109 125.136 119.914 0.189 0.000 2.531 192 V HA 0.358 -10.715 4.120 -25.321 0.000 0.301 192 V C -0.509 175.641 176.094 0.094 0.000 1.034 192 V CA -0.786 61.599 62.300 0.142 0.000 0.865 192 V CB 1.631 33.517 31.823 0.104 0.000 0.995 192 V HN 0.747 nan 8.190 nan 0.000 0.424 193 H N 3.180 122.226 119.070 -0.040 0.000 2.621 193 H HA 0.626 -10.013 4.556 -25.325 0.000 0.360 193 H C -1.602 173.685 175.328 -0.068 0.000 1.163 193 H CA -0.379 55.721 56.048 0.086 0.000 1.194 193 H CB 2.583 32.470 29.762 0.208 0.000 1.649 193 H HN 0.595 nan 8.280 nan 0.000 0.532 194 Y N 0.832 121.281 120.300 0.249 0.000 2.512 194 Y HA 0.393 -10.248 4.550 -25.319 0.000 0.348 194 Y C -0.388 175.695 175.900 0.305 0.000 0.990 194 Y CA -0.926 57.313 58.100 0.232 0.000 1.033 194 Y CB 2.064 40.635 38.460 0.185 0.000 1.259 194 Y HN 0.222 nan 8.280 nan 0.000 0.461 195 L N 3.237 124.690 121.223 0.383 0.000 2.362 195 L HA 0.786 -10.067 4.340 -25.321 0.000 0.275 195 L C -1.216 175.813 176.870 0.265 0.000 0.998 195 L CA -1.093 53.928 54.840 0.302 0.000 0.820 195 L CB 1.880 44.053 42.059 0.191 0.000 1.270 195 L HN 0.330 nan 8.230 nan 0.000 0.415 196 V N 2.058 122.122 119.914 0.250 0.000 2.525 196 V HA 0.835 -10.238 4.120 -25.321 0.000 0.299 196 V C -0.335 175.841 176.094 0.137 0.000 1.034 196 V CA -0.440 61.971 62.300 0.184 0.000 0.863 196 V CB 1.693 33.630 31.823 0.190 0.000 0.999 196 V HN 0.863 nan 8.190 nan 0.000 0.423 197 A N 3.274 126.153 122.820 0.098 0.000 2.449 197 A HA 1.031 -9.842 4.320 -25.321 0.000 0.302 197 A C -0.179 177.439 177.584 0.057 0.000 1.048 197 A CA -0.074 52.007 52.037 0.074 0.000 0.708 197 A CB 2.163 21.201 19.000 0.064 0.000 1.274 197 A HN 1.305 nan 8.150 nan 0.000 0.410 198 G N 0.553 109.381 108.800 0.047 0.000 2.692 198 G HA2 0.602 -10.631 3.960 -25.321 0.000 0.291 198 G HA3 0.602 -10.631 3.960 -25.321 0.000 0.291 198 G C -2.554 172.364 174.900 0.030 0.000 1.423 198 G CA -1.142 43.979 45.100 0.036 0.000 0.843 198 G HN 0.310 nan 8.290 nan 0.000 0.486 199 P HA -0.044 nan 4.420 nan 0.000 0.215 199 P C 0.906 178.218 177.300 0.019 0.000 1.157 199 P CA 1.216 64.328 63.100 0.020 0.000 0.868 199 P CB 0.380 32.090 31.700 0.017 0.000 0.788 200 D N -1.287 119.124 120.400 0.019 0.000 2.183 200 D HA -0.048 -10.601 4.640 -25.321 0.000 0.205 200 D C 1.949 178.262 176.300 0.021 0.000 0.962 200 D CA 0.818 54.828 54.000 0.017 0.000 0.849 200 D CB -0.378 40.430 40.800 0.015 0.000 0.978 200 D HN 0.335 nan 8.370 nan 0.000 0.488 201 R N 0.546 121.061 120.500 0.025 0.000 2.297 201 R HA 0.299 -10.553 4.340 -25.321 0.000 0.197 201 R C 1.218 177.539 176.300 0.035 0.000 0.943 201 R CA 0.634 56.752 56.100 0.030 0.000 1.038 201 R CB -0.072 30.250 30.300 0.036 0.000 0.957 201 R HN 0.043 nan 8.270 nan 0.000 0.484 202 G N 1.690 110.511 108.800 0.034 0.000 2.593 202 G HA2 -0.294 -11.527 3.960 -25.321 0.000 0.237 202 G HA3 -0.294 -11.527 3.960 -25.321 0.000 0.237 202 G C -0.670 174.259 174.900 0.048 0.000 1.312 202 G CA -0.037 45.084 45.100 0.035 0.000 0.896 202 G HN 0.342 nan 8.290 nan 0.000 0.574 203 I N 1.238 121.837 120.570 0.048 0.000 2.509 203 I HA 0.745 -10.278 4.170 -25.321 0.000 0.293 203 I C 0.444 176.599 176.117 0.064 0.000 1.020 203 I CA 0.140 61.478 61.300 0.063 0.000 1.088 203 I CB 2.035 40.066 38.000 0.053 0.000 1.267 203 I HN 1.270 nan 8.210 nan 0.000 0.430 204 T N 2.457 117.065 114.554 0.091 0.000 2.883 204 T HA 0.416 -10.427 4.350 -25.321 0.000 0.296 204 T C -1.081 173.635 174.700 0.027 0.000 1.117 204 T CA -0.683 61.434 62.100 0.028 0.000 1.006 204 T CB 1.563 70.439 68.868 0.012 0.000 1.191 204 T HN 0.707 nan 8.240 nan 0.000 0.508 205 H N 0.983 119.907 119.070 -0.243 0.000 2.489 205 H HA 0.446 -10.191 4.556 -25.323 0.000 0.343 205 H C -1.024 174.016 175.328 -0.480 0.000 1.086 205 H CA -0.635 55.308 56.048 -0.174 0.000 1.198 205 H CB 1.129 30.869 29.762 -0.036 0.000 1.490 205 H HN 0.718 nan 8.280 nan 0.000 0.504 206 H N 2.643 121.532 119.070 -0.301 0.000 2.797 206 H HA 0.273 -10.364 4.556 -25.323 0.000 0.372 206 H C -0.599 174.492 175.328 -0.395 0.000 1.168 206 H CA -0.841 55.016 56.048 -0.318 0.000 1.163 206 H CB 2.676 32.324 29.762 -0.190 0.000 1.778 206 H HN 0.768 nan 8.280 nan 0.000 0.551 207 E N 0.479 120.549 120.200 -0.217 0.000 2.372 207 E HA 0.431 -10.412 4.350 -25.321 0.000 0.279 207 E C -1.332 175.187 176.600 -0.136 0.000 0.946 207 E CA -0.989 55.249 56.400 -0.270 0.000 0.769 207 E CB 2.950 32.274 29.700 -0.626 0.000 1.230 207 E HN 0.745 nan 8.360 nan 0.000 0.442 208 E N 1.064 121.211 120.200 -0.089 0.000 2.433 208 E HA 0.691 -10.151 4.350 -25.321 0.000 0.273 208 E C -1.290 175.186 176.600 -0.206 0.000 0.950 208 E CA -1.155 55.155 56.400 -0.150 0.000 0.796 208 E CB 2.282 31.942 29.700 -0.066 0.000 1.330 208 E HN 0.345 nan 8.360 nan 0.000 0.455 209 S N 0.131 115.575 115.700 -0.428 0.000 2.543 209 S HA 0.383 -10.339 4.470 -25.321 0.000 0.271 209 S C -1.733 172.501 174.600 -0.610 0.000 1.148 209 S CA -0.633 57.373 58.200 -0.323 0.000 0.914 209 S CB 0.960 64.058 63.200 -0.170 0.000 1.096 209 S HN 0.565 nan 8.310 nan 0.000 0.471 210 H N 2.077 121.119 119.070 -0.046 0.000 2.768 210 H HA 0.450 -10.191 4.556 -25.328 0.000 0.371 210 H C -0.530 174.744 175.328 -0.089 0.000 1.151 210 H CA -0.776 55.226 56.048 -0.077 0.000 1.165 210 H CB 1.787 31.494 29.762 -0.092 0.000 1.722 210 H HN 0.606 nan 8.280 nan 0.000 0.543 211 R N 2.622 123.128 120.500 0.009 0.000 2.265 211 R HA 0.478 -10.375 4.340 -25.321 0.000 0.328 211 R C -1.132 175.074 176.300 -0.156 0.000 0.969 211 R CA -0.434 55.626 56.100 -0.067 0.000 0.832 211 R CB 0.225 30.492 30.300 -0.055 0.000 1.139 211 R HN 0.506 nan 8.270 nan 0.000 0.457 212 I N 3.882 124.268 120.570 -0.307 0.000 2.418 212 I HA 0.203 -10.820 4.170 -25.321 0.000 0.287 212 I C -0.073 175.764 176.117 -0.467 0.000 1.008 212 I CA -0.807 60.161 61.300 -0.553 0.000 1.104 212 I CB 2.304 39.553 38.000 -1.253 0.000 1.264 212 I HN 0.572 nan 8.210 nan 0.000 0.438 213 T N 6.937 121.280 114.554 -0.352 0.000 2.901 213 T HA 0.286 -10.557 4.350 -25.321 0.000 0.301 213 T C 0.424 175.023 174.700 -0.167 0.000 1.012 213 T CA -0.103 61.752 62.100 -0.408 0.000 1.135 213 T CB 0.573 68.905 68.868 -0.892 0.000 0.936 213 T HN 0.335 nan 8.240 nan 0.000 0.539 214 L N 4.269 125.443 121.223 -0.082 0.000 2.598 214 L HA 0.330 -10.523 4.340 -25.321 0.000 0.241 214 L C -0.281 176.637 176.870 0.079 0.000 1.244 214 L CA -0.545 54.408 54.840 0.188 0.000 1.198 214 L CB -0.673 41.469 42.059 0.137 0.000 1.448 214 L HN 0.552 nan 8.230 nan 0.000 0.406 215 F N 0.330 120.366 119.950 0.142 0.000 2.595 215 F HA 0.039 -10.619 4.527 -25.308 0.000 0.359 215 F C 1.650 177.506 175.800 0.094 0.000 1.147 215 F CA -0.113 57.842 58.000 -0.075 0.000 1.341 215 F CB 0.373 39.022 39.000 -0.585 0.000 1.104 215 F HN 0.288 nan 8.300 nan 0.000 0.603 216 T N -0.148 114.511 114.554 0.176 0.000 2.816 216 T HA 0.233 -10.610 4.350 -25.321 0.000 0.282 216 T C 1.345 176.032 174.700 -0.022 0.000 0.993 216 T CA -0.714 61.418 62.100 0.054 0.000 0.994 216 T CB 1.051 69.899 68.868 -0.033 0.000 1.025 216 T HN 0.727 nan 8.240 nan 0.000 0.529 217 R N 0.838 121.035 120.500 -0.505 0.000 2.096 217 R HA -0.160 -11.013 4.340 -25.321 0.000 0.240 217 R C 2.241 178.499 176.300 -0.071 0.000 1.139 217 R CA 2.138 57.998 56.100 -0.400 0.000 0.952 217 R CB -0.412 29.384 30.300 -0.841 0.000 0.854 217 R HN 0.855 nan 8.270 nan 0.000 0.436 218 E N 0.833 120.965 120.200 -0.114 0.000 2.110 218 E HA -0.253 -11.095 4.350 -25.321 0.000 0.193 218 E C 1.908 178.476 176.600 -0.053 0.000 0.988 218 E CA 1.392 57.758 56.400 -0.057 0.000 0.804 218 E CB -0.453 29.214 29.700 -0.054 0.000 0.745 218 E HN 0.629 nan 8.360 nan 0.000 0.458 219 Q N 0.000 119.753 119.800 -0.078 0.000 2.050 219 Q HA -0.158 -11.011 4.340 -25.321 0.000 0.202 219 Q C 2.114 177.970 176.000 -0.241 0.000 0.980 219 Q CA 1.628 57.345 55.803 -0.142 0.000 0.840 219 Q CB -0.424 28.253 28.738 -0.101 0.000 0.898 219 Q HN 0.344 nan 8.270 nan 0.000 0.424 220 Y N 1.335 121.515 120.300 -0.201 0.000 2.128 220 Y HA -0.216 -10.867 4.550 -25.335 0.000 0.284 220 Y C 2.162 177.943 175.900 -0.199 0.000 1.154 220 Y CA 1.403 59.298 58.100 -0.341 0.000 1.149 220 Y CB -0.274 37.677 38.460 -0.849 0.000 0.976 220 Y HN 0.159 nan 8.280 nan 0.000 0.505 221 E N -0.342 119.840 120.200 -0.031 0.000 2.153 221 E HA -0.237 -11.079 4.350 -25.321 0.000 0.194 221 E C 2.276 178.913 176.600 0.061 0.000 0.988 221 E CA 0.997 57.404 56.400 0.012 0.000 0.811 221 E CB -0.165 29.553 29.700 0.030 0.000 0.746 221 E HN 0.328 nan 8.360 nan 0.000 0.466 222 R N 0.704 121.209 120.500 0.010 0.000 2.066 222 R HA -0.105 -10.958 4.340 -25.321 0.000 0.232 222 R C 2.237 178.531 176.300 -0.009 0.000 1.131 222 R CA 1.356 57.453 56.100 -0.006 0.000 0.955 222 R CB -0.244 30.032 30.300 -0.040 0.000 0.851 222 R HN 0.143 nan 8.270 nan 0.000 0.432 223 A N -0.126 122.669 122.820 -0.041 0.000 1.908 223 A HA -0.166 -11.038 4.320 -25.321 0.000 0.218 223 A C 1.982 179.538 177.584 -0.048 0.000 1.181 223 A CA 1.380 53.360 52.037 -0.094 0.000 0.627 223 A CB -0.764 18.113 19.000 -0.205 0.000 0.818 223 A HN 0.349 nan 8.150 nan 0.000 0.445 224 F N 0.537 120.428 119.950 -0.098 0.000 2.075 224 F HA -0.146 -10.813 4.527 -25.325 0.000 0.297 224 F C 2.852 178.635 175.800 -0.029 0.000 1.113 224 F CA 2.078 60.050 58.000 -0.047 0.000 1.218 224 F CB -1.019 37.974 39.000 -0.012 0.000 0.984 224 F HN 0.140 nan 8.300 nan 0.000 0.472 225 T N -0.266 114.396 114.554 0.181 0.000 2.759 225 T HA -0.194 -11.037 4.350 -25.321 0.000 0.269 225 T C 2.146 176.869 174.700 0.039 0.000 1.042 225 T CA 1.276 63.433 62.100 0.095 0.000 1.140 225 T CB -0.653 68.255 68.868 0.066 0.000 0.864 225 T HN 0.292 nan 8.240 nan 0.000 0.455 226 A N 0.892 123.717 122.820 0.008 0.000 2.121 226 A HA 0.338 -10.535 4.320 -25.321 0.000 0.218 226 A C 2.255 179.815 177.584 -0.040 0.000 1.154 226 A CA 1.339 53.361 52.037 -0.025 0.000 0.679 226 A CB -0.505 18.466 19.000 -0.048 0.000 0.795 226 A HN 0.490 nan 8.150 nan 0.000 0.458 227 A N -1.814 120.977 122.820 -0.047 0.000 2.345 227 A HA 0.454 -10.418 4.320 -25.321 0.000 0.225 227 A C 1.567 179.136 177.584 -0.026 0.000 1.243 227 A CA 0.947 52.943 52.037 -0.070 0.000 0.875 227 A CB -0.767 18.151 19.000 -0.138 0.000 0.929 227 A HN 1.773 nan 8.150 nan 0.000 0.502 228 G N -0.871 107.932 108.800 0.005 0.000 2.137 228 G HA2 -0.200 -11.433 3.960 -25.321 0.000 0.237 228 G HA3 -0.200 -11.433 3.960 -25.321 0.000 0.237 228 G C -0.090 174.842 174.900 0.053 0.000 1.002 228 G CA 0.390 45.504 45.100 0.023 0.000 0.702 228 G HN 0.459 nan 8.290 nan 0.000 0.515 229 L N 1.352 122.629 121.223 0.089 0.000 2.325 229 L HA 0.661 -10.192 4.340 -25.321 0.000 0.278 229 L C 1.202 178.176 176.870 0.174 0.000 1.023 229 L CA -0.460 54.470 54.840 0.150 0.000 0.811 229 L CB 1.848 44.050 42.059 0.239 0.000 1.249 229 L HN 0.369 nan 8.230 nan 0.000 0.431 230 S N 1.758 117.542 115.700 0.139 0.000 2.603 230 S HA 0.543 -10.180 4.470 -25.321 0.000 0.268 230 S C -0.439 174.234 174.600 0.122 0.000 1.317 230 S CA -0.670 57.596 58.200 0.110 0.000 1.012 230 S CB 1.922 65.167 63.200 0.075 0.000 0.926 230 S HN 0.417 nan 8.310 nan 0.000 0.539 231 V N 1.037 120.983 119.914 0.052 0.000 2.709 231 V HA 0.685 -10.388 4.120 -25.321 0.000 0.308 231 V C -1.116 174.963 176.094 -0.026 0.000 1.062 231 V CA -0.557 61.703 62.300 -0.066 0.000 0.901 231 V CB 1.708 33.416 31.823 -0.191 0.000 1.003 231 V HN 1.133 nan 8.190 nan 0.000 0.425 232 E N 4.824 124.996 120.200 -0.046 0.000 2.292 232 E HA 0.459 -10.384 4.350 -25.321 0.000 0.272 232 E C -2.040 174.560 176.600 0.000 0.000 0.881 232 E CA -0.722 55.681 56.400 0.006 0.000 0.754 232 E CB 2.111 31.799 29.700 -0.020 0.000 1.201 232 E HN 0.650 nan 8.360 nan 0.000 0.425 233 F N 5.143 124.977 119.950 -0.195 0.000 2.420 233 F HA 0.495 -10.171 4.527 -25.322 0.000 0.342 233 F C -0.842 174.780 175.800 -0.297 0.000 1.113 233 F CA -0.752 56.950 58.000 -0.497 0.000 1.059 233 F CB 0.968 39.636 39.000 -0.552 0.000 1.128 233 F HN 0.320 nan 8.300 nan 0.000 0.475 234 M N 8.516 127.419 119.600 -1.162 0.000 2.190 234 M HA 0.345 -10.367 4.480 -25.321 0.000 0.312 234 M C -2.587 172.932 176.300 -1.302 0.000 0.990 234 M CA -2.089 52.658 55.300 -0.922 0.000 0.927 234 M CB 1.443 33.772 32.600 -0.451 0.000 1.571 234 M HN 0.325 nan 8.290 nan 0.000 0.427 235 P HA 0.350 nan 4.420 nan 0.000 0.273 235 P C 0.663 177.769 177.300 -0.323 0.000 1.250 235 P CA 0.716 63.500 63.100 -0.526 0.000 0.793 235 P CB 1.024 32.661 31.700 -0.105 0.000 1.011 236 G N -0.382 108.307 108.800 -0.185 0.000 3.076 236 G HA2 0.210 -11.023 3.960 -25.321 0.000 0.256 236 G HA3 0.210 -11.023 3.960 -25.321 0.000 0.256 236 G C 0.308 175.115 174.900 -0.156 0.000 1.589 236 G CA 0.367 45.389 45.100 -0.131 0.000 1.044 236 G HN 1.162 nan 8.290 nan 0.000 0.563 237 G N -0.291 108.410 108.800 -0.165 0.000 2.760 237 G HA2 0.233 -11.000 3.960 -25.321 0.000 0.246 237 G HA3 0.233 -11.000 3.960 -25.321 0.000 0.246 237 G C -0.896 173.933 174.900 -0.118 0.000 1.359 237 G CA 0.606 45.607 45.100 -0.164 0.000 0.861 237 G HN 1.237 nan 8.290 nan 0.000 0.541 238 P HA 0.076 nan 4.420 nan 0.000 0.218 238 P C 1.392 178.650 177.300 -0.070 0.000 1.148 238 P CA 2.052 65.095 63.100 -0.094 0.000 0.822 238 P CB 0.095 31.735 31.700 -0.100 0.000 0.784 239 S N -2.854 112.809 115.700 -0.061 0.000 2.730 239 S HA 0.445 -10.278 4.470 -25.321 0.000 0.244 239 S C 1.309 175.866 174.600 -0.073 0.000 1.022 239 S CA 0.209 58.401 58.200 -0.013 0.000 1.014 239 S CB 0.558 63.800 63.200 0.070 0.000 0.963 239 S HN 0.321 nan 8.310 nan 0.000 0.540 240 G N 2.411 111.152 108.800 -0.098 0.000 2.213 240 G HA2 -0.276 -11.509 3.960 -25.321 0.000 0.236 240 G HA3 -0.276 -11.509 3.960 -25.321 0.000 0.236 240 G C 0.749 175.509 174.900 -0.235 0.000 0.991 240 G CA 0.065 45.139 45.100 -0.044 0.000 0.629 240 G HN 0.488 nan 8.290 nan 0.000 0.517 241 R N 0.716 120.919 120.500 -0.495 0.000 2.334 241 R HA 0.481 -10.372 4.340 -25.321 0.000 0.216 241 R C 1.677 177.796 176.300 -0.301 0.000 0.905 241 R CA 0.813 56.515 56.100 -0.663 0.000 1.064 241 R CB 0.209 29.933 30.300 -0.959 0.000 1.046 241 R HN 1.454 nan 8.270 nan 0.000 0.508 242 G N 1.044 109.695 108.800 -0.247 0.000 2.645 242 G HA2 -0.238 -11.471 3.960 -25.321 0.000 0.239 242 G HA3 -0.238 -11.471 3.960 -25.321 0.000 0.239 242 G C -1.213 173.511 174.900 -0.293 0.000 1.331 242 G CA -0.655 44.222 45.100 -0.372 0.000 0.890 242 G HN 0.093 nan 8.290 nan 0.000 0.572 243 L N -1.342 119.612 121.223 -0.449 0.000 2.526 243 L HA 0.751 -10.101 4.340 -25.321 0.000 0.263 243 L C -0.854 175.835 176.870 -0.303 0.000 0.943 243 L CA -0.721 53.982 54.840 -0.228 0.000 0.859 243 L CB 1.845 43.784 42.059 -0.200 0.000 1.313 243 L HN 0.568 nan 8.230 nan 0.000 0.406 244 F N 1.452 121.405 119.950 0.004 0.000 2.404 244 F HA 0.680 -9.992 4.527 -25.331 0.000 0.339 244 F C 0.802 176.550 175.800 -0.087 0.000 1.105 244 F CA -0.266 57.688 58.000 -0.076 0.000 1.087 244 F CB 1.981 40.846 39.000 -0.225 0.000 1.143 244 F HN 0.488 nan 8.300 nan 0.000 0.491 245 T N -0.146 114.407 114.554 -0.001 0.000 2.885 245 T HA 0.864 -9.978 4.350 -25.321 0.000 0.285 245 T C -0.322 174.395 174.700 0.029 0.000 1.019 245 T CA -0.933 61.167 62.100 0.000 0.000 1.010 245 T CB 1.814 70.550 68.868 -0.220 0.000 1.022 245 T HN 0.854 nan 8.240 nan 0.000 0.466 246 G N 1.596 110.540 108.800 0.239 0.000 2.662 246 G HA2 0.628 -10.604 3.960 -25.321 0.000 0.302 246 G HA3 0.628 -10.604 3.960 -25.321 0.000 0.302 246 G C -1.410 173.594 174.900 0.174 0.000 1.389 246 G CA -0.980 44.323 45.100 0.339 0.000 0.998 246 G HN 0.861 nan 8.290 nan 0.000 0.502 247 L N 3.222 124.520 121.223 0.123 0.000 2.356 247 L HA 0.480 -10.373 4.340 -25.321 0.000 0.277 247 L C -2.155 174.773 176.870 0.096 0.000 0.996 247 L CA -2.131 52.763 54.840 0.090 0.000 0.822 247 L CB 2.887 44.986 42.059 0.067 0.000 1.256 247 L HN 0.323 nan 8.230 nan 0.000 0.413 248 P HA 0.532 nan 4.420 nan 0.000 0.276 248 P C -0.055 177.278 177.300 0.056 0.000 1.252 248 P CA -0.019 63.121 63.100 0.068 0.000 0.802 248 P CB 1.456 33.191 31.700 0.058 0.000 1.035 249 G N 0.000 108.826 108.800 0.044 0.000 5.446 249 G HA2 0.000 -11.233 3.960 -25.321 0.000 0.244 249 G HA3 0.000 -11.233 3.960 -25.321 0.000 0.244 249 G CA 0.000 45.121 45.100 0.034 0.000 0.502 249 G HN 0.000 nan 8.290 nan 0.000 0.925