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 2z1y_1_A DATA FIRST_RESID 4 DATA SEQUENCE LSWSEAFGKG AGRIQASTIR ELLKXXXXXG ILSFAGGLPA PELFPKEEAA DATA SEQUENCE EAAARILREK GEVALQYSPT EGYAPLRAFV AEWIGVRPEE VLITTGSQQA DATA SEQUENCE LDLVGKVFLD EGSPVLLEAP SYMGAIQAFR LQGPRFLTVP AGEEGPDLDA DATA SEQUENCE LEEVLKRERP RFLYLIPSFQ NPTGGLTPLP ARKRLLQMVM ERGLVVVEDD DATA SEQUENCE AYRELYFGEA RLPSLFELAR EAGYPGVIYL GSFSKVLSPG LRVAFAVAHP DATA SEQUENCE EALQKLVQAK QGADLHTPML NQMLVHELLK EGFSERLERV RRVYREKAQA DATA SEQUENCE MLHALDREVP KEVRYTRPKG GMFVWMELPK GLSAEGLFRR ALEENVAFVP DATA SEQUENCE GGPFFANGGG ENTLRLSYAT LDREGIAEGV RRLGRALKGL LALV 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.654 176.870 -0.359 0.000 1.165 4 L CA 0.000 54.646 54.840 -0.324 0.000 0.813 4 L CB 0.000 41.784 42.059 -0.458 0.000 0.961 5 S N 3.613 119.094 115.700 -0.365 0.000 2.566 5 S HA 0.432 4.903 4.470 0.001 0.000 0.324 5 S C 0.228 174.597 174.600 -0.384 0.000 1.081 5 S CA -0.379 57.651 58.200 -0.284 0.000 1.105 5 S CB 0.350 63.456 63.200 -0.157 0.000 0.981 5 S HN 0.708 nan 8.310 nan 0.000 0.464 6 W N 3.004 124.133 121.300 -0.285 0.000 2.378 6 W HA -0.117 4.544 4.660 0.001 0.000 0.313 6 W C 2.858 178.865 176.519 -0.854 0.000 1.197 6 W CA 1.314 58.274 57.345 -0.643 0.000 1.304 6 W CB -0.577 28.566 29.460 -0.528 0.000 1.148 6 W HN 0.859 nan 8.180 nan 0.000 0.494 7 S N 0.519 116.165 115.700 -0.091 0.000 2.392 7 S HA -0.344 4.126 4.470 0.001 0.000 0.232 7 S C 1.686 176.293 174.600 0.012 0.000 1.041 7 S CA 1.859 60.112 58.200 0.088 0.000 1.026 7 S CB -0.613 62.664 63.200 0.127 0.000 0.845 7 S HN 0.337 nan 8.310 nan 0.000 0.465 8 E N 1.813 121.967 120.200 -0.077 0.000 2.216 8 E HA 0.195 4.545 4.350 0.001 0.000 0.192 8 E C 1.825 178.373 176.600 -0.086 0.000 0.988 8 E CA 1.051 57.413 56.400 -0.063 0.000 0.834 8 E CB -0.655 28.996 29.700 -0.082 0.000 0.772 8 E HN 0.652 nan 8.360 nan 0.000 0.479 9 A N -0.297 122.402 122.820 -0.202 0.000 2.030 9 A HA 0.164 4.485 4.320 0.001 0.000 0.215 9 A C 0.285 177.883 177.584 0.023 0.000 1.164 9 A CA -0.055 51.891 52.037 -0.151 0.000 0.697 9 A CB -0.366 18.479 19.000 -0.258 0.000 0.827 9 A HN 0.177 nan 8.150 nan 0.000 0.457 10 F N 0.093 120.125 119.950 0.136 0.000 2.490 10 F HA 0.469 4.997 4.527 0.001 0.000 0.336 10 F C 1.363 177.204 175.800 0.068 0.000 1.178 10 F CA -0.350 57.716 58.000 0.110 0.000 1.301 10 F CB 0.000 39.062 39.000 0.103 0.000 1.175 10 F HN 0.123 nan 8.300 nan 0.000 0.593 11 G N 1.016 109.976 108.800 0.266 0.000 2.568 11 G HA2 0.305 4.265 3.960 0.001 0.000 0.293 11 G HA3 0.305 4.265 3.960 0.001 0.000 0.293 11 G C 0.469 175.434 174.900 0.108 0.000 1.347 11 G CA -0.687 44.499 45.100 0.144 0.000 1.039 11 G HN 0.580 nan 8.290 nan 0.000 0.523 12 K N -0.507 119.935 120.400 0.070 0.000 2.147 12 K HA -0.031 4.290 4.320 0.001 0.000 0.205 12 K C 2.530 179.148 176.600 0.030 0.000 1.049 12 K CA 1.174 57.490 56.287 0.050 0.000 0.936 12 K CB -0.200 32.322 32.500 0.037 0.000 0.722 12 K HN 0.461 nan 8.250 nan 0.000 0.446 13 G N 1.188 110.002 108.800 0.024 0.000 2.442 13 G HA2 -0.302 3.659 3.960 0.001 0.000 0.219 13 G HA3 -0.302 3.659 3.960 0.001 0.000 0.219 13 G C 1.584 176.463 174.900 -0.035 0.000 1.141 13 G CA 0.957 46.057 45.100 0.000 0.000 0.763 13 G HN 0.365 nan 8.290 nan 0.000 0.554 14 A N 0.487 123.274 122.820 -0.056 0.000 2.019 14 A HA 0.222 4.543 4.320 0.001 0.000 0.219 14 A C 2.428 179.949 177.584 -0.104 0.000 1.164 14 A CA 1.779 53.718 52.037 -0.164 0.000 0.644 14 A CB -0.487 18.327 19.000 -0.309 0.000 0.805 14 A HN 0.558 nan 8.150 nan 0.000 0.449 15 G N -1.532 107.252 108.800 -0.027 0.000 3.233 15 G HA2 0.216 4.176 3.960 0.001 0.000 0.227 15 G HA3 0.216 4.176 3.960 0.001 0.000 0.227 15 G C 1.141 176.038 174.900 -0.005 0.000 1.175 15 G CA -0.084 45.013 45.100 -0.005 0.000 0.781 15 G HN 0.508 nan 8.290 nan 0.000 0.542 16 R N -0.076 120.415 120.500 -0.015 0.000 2.509 16 R HA 0.278 4.619 4.340 0.001 0.000 0.297 16 R C 1.217 177.506 176.300 -0.018 0.000 0.951 16 R CA -0.012 56.089 56.100 0.001 0.000 1.103 16 R CB 0.357 30.667 30.300 0.018 0.000 1.283 16 R HN 0.527 nan 8.270 nan 0.000 0.534 17 I N -2.668 117.872 120.570 -0.050 0.000 3.856 17 I HA 0.263 4.433 4.170 0.001 0.000 0.330 17 I C 0.551 176.619 176.117 -0.081 0.000 1.546 17 I CA -0.299 60.959 61.300 -0.070 0.000 1.132 17 I CB 0.764 38.712 38.000 -0.087 0.000 1.157 17 I HN -0.215 nan 8.210 nan 0.000 0.440 18 Q N 2.525 122.285 119.800 -0.067 0.000 2.170 18 Q HA 0.158 4.499 4.340 0.001 0.000 0.203 18 Q C 1.358 177.315 176.000 -0.072 0.000 0.976 18 Q CA 1.223 56.987 55.803 -0.065 0.000 0.858 18 Q CB -0.441 28.270 28.738 -0.044 0.000 0.907 18 Q HN 0.718 nan 8.270 nan 0.000 0.433 19 A N 0.226 122.996 122.820 -0.083 0.000 2.546 19 A HA 0.199 4.520 4.320 0.001 0.000 0.243 19 A C 0.503 178.023 177.584 -0.108 0.000 1.063 19 A CA 0.373 52.347 52.037 -0.104 0.000 0.757 19 A CB 0.253 19.171 19.000 -0.136 0.000 0.991 19 A HN 0.196 nan 8.150 nan 0.000 0.503 20 S N 1.526 117.164 115.700 -0.104 0.000 2.749 20 S HA 0.045 4.516 4.470 0.001 0.000 0.246 20 S C 1.497 176.037 174.600 -0.099 0.000 1.023 20 S CA 0.307 58.452 58.200 -0.092 0.000 1.012 20 S CB 0.296 63.455 63.200 -0.069 0.000 0.942 20 S HN 0.844 nan 8.310 nan 0.000 0.531 21 T N 2.907 117.379 114.554 -0.136 0.000 2.665 21 T HA -0.097 4.253 4.350 0.001 0.000 0.268 21 T C 1.699 176.337 174.700 -0.103 0.000 1.035 21 T CA 1.350 63.360 62.100 -0.149 0.000 1.151 21 T CB -0.328 68.396 68.868 -0.241 0.000 0.862 21 T HN 0.358 nan 8.240 nan 0.000 0.438 22 I N 1.578 122.083 120.570 -0.109 0.000 2.127 22 I HA -0.270 3.901 4.170 0.001 0.000 0.241 22 I C 2.862 178.962 176.117 -0.028 0.000 1.075 22 I CA 1.773 63.037 61.300 -0.060 0.000 1.334 22 I CB -0.398 37.557 38.000 -0.074 0.000 1.040 22 I HN 0.317 nan 8.210 nan 0.000 0.405 23 R N 1.065 121.542 120.500 -0.039 0.000 2.148 23 R HA -0.135 4.206 4.340 0.001 0.000 0.227 23 R C 1.723 178.017 176.300 -0.010 0.000 1.103 23 R CA 1.363 57.450 56.100 -0.022 0.000 0.983 23 R CB -0.590 29.691 30.300 -0.031 0.000 0.874 23 R HN 0.427 nan 8.270 nan 0.000 0.451 24 E N 1.264 121.453 120.200 -0.019 0.000 2.107 24 E HA -0.062 4.289 4.350 0.001 0.000 0.191 24 E C 2.072 178.684 176.600 0.022 0.000 0.982 24 E CA 1.040 57.438 56.400 -0.003 0.000 0.809 24 E CB -0.037 29.649 29.700 -0.023 0.000 0.756 24 E HN 0.348 nan 8.360 nan 0.000 0.459 25 L N 0.497 121.734 121.223 0.023 0.000 2.141 25 L HA -0.123 4.217 4.340 0.001 0.000 0.209 25 L C 2.190 179.102 176.870 0.070 0.000 1.094 25 L CA 0.723 55.601 54.840 0.062 0.000 0.763 25 L CB -0.180 41.928 42.059 0.082 0.000 0.908 25 L HN 0.165 nan 8.230 nan 0.000 0.437 26 L N -0.383 120.870 121.223 0.052 0.000 2.446 26 L HA -0.027 4.314 4.340 0.001 0.000 0.219 26 L C 1.431 178.326 176.870 0.043 0.000 1.116 26 L CA -0.140 54.732 54.840 0.053 0.000 0.844 26 L CB -0.274 41.810 42.059 0.042 0.000 0.970 26 L HN 0.144 nan 8.230 nan 0.000 0.457 34 I N 2.345 122.889 120.570 -0.044 0.000 2.416 34 I HA 0.489 4.659 4.170 0.001 0.000 0.288 34 I C -0.343 175.727 176.117 -0.077 0.000 1.051 34 I CA -0.662 60.603 61.300 -0.059 0.000 1.375 34 I CB 0.770 38.737 38.000 -0.055 0.000 1.407 34 I HN -0.131 nan 8.210 nan 0.000 0.516 35 L N 7.302 128.454 121.223 -0.118 0.000 2.265 35 L HA 0.272 4.612 4.340 0.001 0.000 0.288 35 L C 0.266 176.967 176.870 -0.282 0.000 1.058 35 L CA -0.154 54.564 54.840 -0.204 0.000 0.809 35 L CB 1.388 43.289 42.059 -0.263 0.000 1.179 35 L HN 0.575 nan 8.230 nan 0.000 0.429 36 S N 3.013 118.578 115.700 -0.225 0.000 2.457 36 S HA 0.473 4.944 4.470 0.001 0.000 0.289 36 S C -0.023 174.502 174.600 -0.124 0.000 1.163 36 S CA -0.398 57.728 58.200 -0.124 0.000 1.078 36 S CB 0.249 63.458 63.200 0.015 0.000 0.987 36 S HN 0.464 nan 8.310 nan 0.000 0.482 37 F N 3.172 123.242 119.950 0.201 0.000 2.805 37 F HA 0.374 4.902 4.527 0.000 0.000 0.317 37 F C 1.315 177.282 175.800 0.277 0.000 1.146 37 F CA -0.505 57.632 58.000 0.227 0.000 1.265 37 F CB 0.258 39.405 39.000 0.245 0.000 0.992 37 F HN 0.708 nan 8.300 nan 0.000 0.511 38 A N 0.590 123.638 122.820 0.379 0.000 2.353 38 A HA 0.469 4.790 4.320 0.001 0.000 0.218 38 A C 1.583 179.362 177.584 0.324 0.000 1.760 38 A CA 0.551 52.789 52.037 0.335 0.000 0.638 38 A CB -1.200 17.947 19.000 0.244 0.000 1.280 38 A HN 0.249 nan 8.150 nan 0.000 0.511 39 G N -0.796 108.160 108.800 0.259 0.000 2.491 39 G HA2 0.396 4.356 3.960 0.001 0.000 0.238 39 G HA3 0.396 4.356 3.960 0.001 0.000 0.238 39 G C 0.594 175.686 174.900 0.320 0.000 1.277 39 G CA 0.134 45.398 45.100 0.273 0.000 0.851 39 G HN 1.015 nan 8.290 nan 0.000 0.573 40 G N 0.713 109.751 108.800 0.396 0.000 3.316 40 G HA2 0.357 4.318 3.960 0.001 0.000 0.255 40 G HA3 0.357 4.318 3.960 0.001 0.000 0.255 40 G C 0.081 175.100 174.900 0.199 0.000 0.880 40 G CA -0.455 44.843 45.100 0.331 0.000 1.956 40 G HN 0.356 nan 8.290 nan 0.000 0.634 41 L N 3.165 124.497 121.223 0.182 0.000 2.313 41 L HA 0.306 4.647 4.340 0.001 0.000 0.282 41 L C -1.510 175.461 176.870 0.168 0.000 1.092 41 L CA -1.735 53.212 54.840 0.177 0.000 0.831 41 L CB 1.172 43.331 42.059 0.167 0.000 1.159 41 L HN 0.184 nan 8.230 nan 0.000 0.442 42 P HA 0.038 nan 4.420 nan 0.000 0.270 42 P C -0.765 176.585 177.300 0.084 0.000 1.223 42 P CA -0.551 62.694 63.100 0.240 0.000 0.785 42 P CB 0.579 32.465 31.700 0.310 0.000 0.923 43 A N 3.948 126.800 122.820 0.053 0.000 2.537 43 A HA 0.143 4.463 4.320 0.001 0.000 0.260 43 A C -0.948 176.316 177.584 -0.532 0.000 1.082 43 A CA -0.751 51.172 52.037 -0.189 0.000 0.765 43 A CB -0.978 17.863 19.000 -0.265 0.000 1.019 43 A HN 0.443 nan 8.150 nan 0.000 0.507 44 P HA -0.171 nan 4.420 nan 0.000 0.223 44 P C 0.973 177.879 177.300 -0.657 0.000 1.151 44 P CA 1.140 63.572 63.100 -1.113 0.000 0.787 44 P CB 0.180 31.613 31.700 -0.445 0.000 0.788 45 E N 0.577 120.563 120.200 -0.356 0.000 2.409 45 E HA -0.101 4.250 4.350 0.001 0.000 0.198 45 E C 1.765 178.271 176.600 -0.157 0.000 1.024 45 E CA 0.671 56.955 56.400 -0.193 0.000 0.861 45 E CB -0.922 28.692 29.700 -0.145 0.000 0.788 45 E HN 0.339 nan 8.360 nan 0.000 0.521 46 L N 0.155 121.245 121.223 -0.222 0.000 2.529 46 L HA 0.147 4.488 4.340 0.001 0.000 0.223 46 L C 0.305 177.233 176.870 0.097 0.000 1.113 46 L CA -0.303 54.497 54.840 -0.067 0.000 0.861 46 L CB -0.083 41.952 42.059 -0.039 0.000 1.012 46 L HN -0.089 nan 8.230 nan 0.000 0.461 47 F N 2.173 122.143 119.950 0.034 0.000 2.578 47 F HA 0.123 4.651 4.527 0.001 0.000 0.376 47 F C -1.459 174.351 175.800 0.018 0.000 1.085 47 F CA -3.064 54.956 58.000 0.033 0.000 1.260 47 F CB -0.486 38.532 39.000 0.030 0.000 1.095 47 F HN -0.077 nan 8.300 nan 0.000 0.573 48 P HA 0.167 nan 4.420 nan 0.000 0.225 48 P C 0.177 177.518 177.300 0.068 0.000 1.830 48 P CA -0.272 62.888 63.100 0.100 0.000 1.051 48 P CB 0.397 32.135 31.700 0.064 0.000 1.929 49 K N 0.903 121.356 120.400 0.087 0.000 2.009 49 K HA -0.220 4.101 4.320 0.001 0.000 0.210 49 K C 1.853 178.465 176.600 0.020 0.000 1.049 49 K CA 1.649 57.968 56.287 0.052 0.000 0.929 49 K CB -0.045 32.496 32.500 0.069 0.000 0.714 49 K HN 0.231 nan 8.250 nan 0.000 0.440 50 E N 1.439 121.650 120.200 0.020 0.000 2.047 50 E HA -0.207 4.143 4.350 0.001 0.000 0.191 50 E C 1.873 178.470 176.600 -0.005 0.000 0.987 50 E CA 1.544 57.947 56.400 0.005 0.000 0.799 50 E CB -0.040 29.663 29.700 0.006 0.000 0.752 50 E HN 0.289 nan 8.360 nan 0.000 0.449 51 E N -0.630 119.567 120.200 -0.005 0.000 2.110 51 E HA -0.193 4.158 4.350 0.001 0.000 0.193 51 E C 1.873 178.454 176.600 -0.032 0.000 0.988 51 E CA 1.040 57.429 56.400 -0.018 0.000 0.804 51 E CB -0.227 29.463 29.700 -0.017 0.000 0.745 51 E HN 0.341 nan 8.360 nan 0.000 0.458 52 A N 1.038 123.841 122.820 -0.029 0.000 1.930 52 A HA -0.058 4.263 4.320 0.001 0.000 0.217 52 A C 2.354 179.911 177.584 -0.045 0.000 1.175 52 A CA 1.591 53.600 52.037 -0.047 0.000 0.627 52 A CB -0.633 18.337 19.000 -0.049 0.000 0.815 52 A HN 0.400 nan 8.150 nan 0.000 0.443 53 A N -0.393 122.408 122.820 -0.031 0.000 1.877 53 A HA -0.181 4.139 4.320 0.001 0.000 0.216 53 A C 2.100 179.665 177.584 -0.031 0.000 1.186 53 A CA 1.797 53.817 52.037 -0.029 0.000 0.620 53 A CB -0.480 18.509 19.000 -0.019 0.000 0.822 53 A HN 0.525 nan 8.150 nan 0.000 0.443 54 E N 0.459 120.641 120.200 -0.029 0.000 2.077 54 E HA -0.151 4.199 4.350 0.001 0.000 0.193 54 E C 2.172 178.749 176.600 -0.039 0.000 0.989 54 E CA 1.362 57.744 56.400 -0.030 0.000 0.800 54 E CB -0.323 29.361 29.700 -0.027 0.000 0.746 54 E HN 0.452 nan 8.360 nan 0.000 0.452 55 A N 1.249 124.040 122.820 -0.048 0.000 1.898 55 A HA -0.014 4.307 4.320 0.001 0.000 0.216 55 A C 2.442 179.988 177.584 -0.062 0.000 1.181 55 A CA 2.017 54.018 52.037 -0.060 0.000 0.620 55 A CB -0.683 18.270 19.000 -0.078 0.000 0.819 55 A HN 0.365 nan 8.150 nan 0.000 0.442 56 A N -0.158 122.625 122.820 -0.061 0.000 1.898 56 A HA 0.195 4.515 4.320 0.001 0.000 0.216 56 A C 2.481 180.034 177.584 -0.052 0.000 1.181 56 A CA 1.979 53.979 52.037 -0.063 0.000 0.620 56 A CB -0.937 18.027 19.000 -0.060 0.000 0.819 56 A HN 1.006 nan 8.150 nan 0.000 0.442 57 A N -0.371 122.423 122.820 -0.043 0.000 1.898 57 A HA -0.134 4.187 4.320 0.001 0.000 0.216 57 A C 2.245 179.808 177.584 -0.035 0.000 1.181 57 A CA 1.651 53.667 52.037 -0.036 0.000 0.620 57 A CB -0.466 18.516 19.000 -0.029 0.000 0.819 57 A HN 0.546 nan 8.150 nan 0.000 0.442 58 R N -0.286 120.193 120.500 -0.036 0.000 2.075 58 R HA -0.051 4.290 4.340 0.001 0.000 0.232 58 R C 1.907 178.185 176.300 -0.036 0.000 1.126 58 R CA 1.580 57.660 56.100 -0.033 0.000 0.963 58 R CB -0.373 29.907 30.300 -0.032 0.000 0.858 58 R HN 0.546 nan 8.270 nan 0.000 0.435 59 I N 0.756 121.297 120.570 -0.048 0.000 2.179 59 I HA -0.314 3.857 4.170 0.001 0.000 0.242 59 I C 2.124 178.209 176.117 -0.053 0.000 1.088 59 I CA 1.266 62.532 61.300 -0.058 0.000 1.357 59 I CB -0.159 37.790 38.000 -0.084 0.000 1.051 59 I HN 0.241 nan 8.210 nan 0.000 0.409 60 L N -0.054 121.139 121.223 -0.050 0.000 2.093 60 L HA -0.143 4.198 4.340 0.001 0.000 0.208 60 L C 2.736 179.586 176.870 -0.034 0.000 1.085 60 L CA 1.173 55.986 54.840 -0.045 0.000 0.755 60 L CB -0.453 41.580 42.059 -0.043 0.000 0.904 60 L HN 0.153 nan 8.230 nan 0.000 0.435 61 R N -0.100 120.382 120.500 -0.030 0.000 2.073 61 R HA -0.094 4.246 4.340 0.001 0.000 0.229 61 R C 1.971 178.260 176.300 -0.020 0.000 1.120 61 R CA 1.237 57.323 56.100 -0.023 0.000 0.967 61 R CB -0.115 30.173 30.300 -0.020 0.000 0.862 61 R HN 0.450 nan 8.270 nan 0.000 0.436 62 E N 0.044 120.232 120.200 -0.020 0.000 2.276 62 E HA -0.017 4.334 4.350 0.001 0.000 0.193 62 E C 0.614 177.206 176.600 -0.012 0.000 0.983 62 E CA 0.637 57.029 56.400 -0.014 0.000 0.861 62 E CB 0.435 30.129 29.700 -0.010 0.000 0.817 62 E HN 0.150 nan 8.360 nan 0.000 0.485 63 K N -0.162 120.226 120.400 -0.021 0.000 2.734 63 K HA 0.168 4.489 4.320 0.001 0.000 0.200 63 K C 1.139 177.718 176.600 -0.036 0.000 1.120 63 K CA -0.071 56.202 56.287 -0.022 0.000 1.067 63 K CB 1.391 33.877 32.500 -0.022 0.000 0.771 63 K HN 0.041 nan 8.250 nan 0.000 0.481 64 G N 2.362 111.142 108.800 -0.034 0.000 2.450 64 G HA2 -0.284 3.677 3.960 0.001 0.000 0.220 64 G HA3 -0.284 3.677 3.960 0.001 0.000 0.220 64 G C 1.421 176.299 174.900 -0.036 0.000 1.130 64 G CA 0.918 45.995 45.100 -0.039 0.000 0.760 64 G HN 0.403 nan 8.290 nan 0.000 0.557 65 E N 0.805 120.990 120.200 -0.026 0.000 2.204 65 E HA -0.079 4.272 4.350 0.001 0.000 0.195 65 E C 2.293 178.879 176.600 -0.023 0.000 0.990 65 E CA 1.191 57.578 56.400 -0.022 0.000 0.821 65 E CB -0.604 29.089 29.700 -0.012 0.000 0.750 65 E HN 0.353 nan 8.360 nan 0.000 0.477 66 V N 1.478 121.377 119.914 -0.026 0.000 2.492 66 V HA 0.057 4.178 4.120 0.001 0.000 0.241 66 V C 2.609 178.671 176.094 -0.053 0.000 1.041 66 V CA 1.241 63.525 62.300 -0.027 0.000 1.057 66 V CB -0.497 31.318 31.823 -0.013 0.000 0.711 66 V HN 0.385 nan 8.190 nan 0.000 0.468 67 A N -0.140 122.637 122.820 -0.072 0.000 1.972 67 A HA -0.105 4.216 4.320 0.001 0.000 0.219 67 A C 2.041 179.588 177.584 -0.061 0.000 1.169 67 A CA 1.639 53.621 52.037 -0.092 0.000 0.635 67 A CB -0.440 18.499 19.000 -0.103 0.000 0.810 67 A HN 0.522 nan 8.150 nan 0.000 0.446 68 L N -1.231 119.959 121.223 -0.055 0.000 2.607 68 L HA 0.137 4.477 4.340 0.001 0.000 0.228 68 L C 0.989 177.814 176.870 -0.075 0.000 1.123 68 L CA -0.204 54.602 54.840 -0.057 0.000 0.890 68 L CB 0.021 42.046 42.059 -0.057 0.000 1.103 68 L HN 0.381 nan 8.230 nan 0.000 0.468 69 Q N -0.579 119.185 119.800 -0.061 0.000 2.193 69 Q HA 0.227 4.568 4.340 0.001 0.000 0.246 69 Q C -0.895 175.086 176.000 -0.031 0.000 0.959 69 Q CA -0.563 55.199 55.803 -0.069 0.000 0.904 69 Q CB 0.680 29.404 28.738 -0.022 0.000 1.238 69 Q HN -0.016 nan 8.270 nan 0.000 0.469 70 Y N 0.659 120.977 120.300 0.031 0.000 2.805 70 Y HA 0.157 4.708 4.550 0.001 0.000 0.337 70 Y C 0.261 176.021 175.900 -0.234 0.000 1.252 70 Y CA 0.827 58.940 58.100 0.022 0.000 1.515 70 Y CB 0.524 39.024 38.460 0.066 0.000 1.305 70 Y HN 0.492 nan 8.280 nan 0.000 0.600 71 S N 3.298 118.670 115.700 -0.546 0.000 2.704 71 S HA 0.556 5.027 4.470 0.001 0.000 0.296 71 S C -2.740 171.645 174.600 -0.359 0.000 1.138 71 S CA -1.649 56.278 58.200 -0.455 0.000 0.875 71 S CB 1.862 64.787 63.200 -0.460 0.000 1.151 71 S HN 0.293 nan 8.310 nan 0.000 0.500 72 P HA 0.187 nan 4.420 nan 0.000 0.268 72 P C 0.416 177.738 177.300 0.037 0.000 1.205 72 P CA 0.102 63.184 63.100 -0.030 0.000 0.771 72 P CB 0.175 31.876 31.700 0.003 0.000 0.858 73 T N 1.161 115.757 114.554 0.070 0.000 2.788 73 T HA -0.158 4.193 4.350 0.001 0.000 0.268 73 T C 1.237 175.999 174.700 0.103 0.000 1.044 73 T CA 1.567 63.735 62.100 0.113 0.000 1.139 73 T CB -0.423 68.490 68.868 0.075 0.000 0.867 73 T HN 0.513 nan 8.240 nan 0.000 0.454 74 E N 0.428 120.672 120.200 0.073 0.000 2.204 74 E HA 0.289 4.639 4.350 0.001 0.000 0.194 74 E C 1.114 177.770 176.600 0.093 0.000 0.989 74 E CA 0.627 57.070 56.400 0.072 0.000 0.824 74 E CB -0.162 29.565 29.700 0.046 0.000 0.756 74 E HN 0.588 nan 8.360 nan 0.000 0.477 75 G N -0.540 108.322 108.800 0.103 0.000 2.459 75 G HA2 -0.180 3.781 3.960 0.001 0.000 0.685 75 G HA3 -0.180 3.781 3.960 0.001 0.000 0.685 75 G C -1.427 173.554 174.900 0.135 0.000 1.303 75 G CA -0.713 44.469 45.100 0.137 0.000 0.907 75 G HN 0.091 nan 8.290 nan 0.000 0.632 76 Y N 1.957 122.265 120.300 0.012 0.000 2.650 76 Y HA 0.396 4.946 4.550 0.000 0.000 0.331 76 Y C 1.666 177.535 175.900 -0.052 0.000 1.165 76 Y CA 0.982 59.064 58.100 -0.030 0.000 1.473 76 Y CB 0.752 39.188 38.460 -0.040 0.000 1.224 76 Y HN 1.240 nan 8.280 nan 0.000 0.533 77 A N 7.576 130.184 122.820 -0.354 0.000 1.892 77 A HA -0.166 4.154 4.320 0.001 0.000 0.218 77 A C -0.374 176.909 177.584 -0.503 0.000 1.188 77 A CA 1.900 53.724 52.037 -0.354 0.000 0.631 77 A CB -1.813 17.033 19.000 -0.257 0.000 0.822 77 A HN 0.726 nan 8.150 nan 0.000 0.447 78 P HA -0.118 nan 4.420 nan 0.000 0.218 78 P C 1.584 178.432 177.300 -0.753 0.000 1.148 78 P CA 0.827 63.424 63.100 -0.839 0.000 0.822 78 P CB -0.032 31.017 31.700 -1.086 0.000 0.784 79 L N -0.394 120.471 121.223 -0.597 0.000 2.072 79 L HA -0.036 4.305 4.340 0.001 0.000 0.205 79 L C 2.253 179.144 176.870 0.036 0.000 1.079 79 L CA 1.712 56.469 54.840 -0.138 0.000 0.752 79 L CB -0.776 41.352 42.059 0.116 0.000 0.906 79 L HN -0.230 nan 8.230 nan 0.000 0.436 80 R N -0.466 120.017 120.500 -0.029 0.000 2.096 80 R HA -0.108 4.232 4.340 0.001 0.000 0.235 80 R C 2.238 178.536 176.300 -0.003 0.000 1.127 80 R CA 1.227 57.334 56.100 0.011 0.000 0.968 80 R CB -0.650 29.643 30.300 -0.011 0.000 0.861 80 R HN 0.514 nan 8.270 nan 0.000 0.440 81 A N 0.848 123.641 122.820 -0.044 0.000 1.898 81 A HA -0.180 4.141 4.320 0.001 0.000 0.216 81 A C 1.960 179.581 177.584 0.061 0.000 1.181 81 A CA 1.036 53.062 52.037 -0.017 0.000 0.620 81 A CB -0.603 18.363 19.000 -0.057 0.000 0.819 81 A HN 0.371 nan 8.150 nan 0.000 0.442 82 F N 0.752 120.686 119.950 -0.026 0.000 2.102 82 F HA -0.160 4.367 4.527 -0.001 0.000 0.298 82 F C 2.191 178.066 175.800 0.127 0.000 1.105 82 F CA 2.044 60.086 58.000 0.070 0.000 1.239 82 F CB -0.294 38.781 39.000 0.124 0.000 0.991 82 F HN 0.025 nan 8.300 nan 0.000 0.474 83 V N 0.621 120.650 119.914 0.192 0.000 2.343 83 V HA -0.298 3.823 4.120 0.001 0.000 0.247 83 V C 2.756 178.782 176.094 -0.113 0.000 1.051 83 V CA 1.745 64.061 62.300 0.027 0.000 1.036 83 V CB -1.533 30.189 31.823 -0.168 0.000 0.654 83 V HN 0.510 nan 8.190 nan 0.000 0.451 84 A N -0.412 122.363 122.820 -0.076 0.000 1.877 84 A HA -0.253 4.068 4.320 0.001 0.000 0.216 84 A C 2.340 179.890 177.584 -0.056 0.000 1.186 84 A CA 1.912 53.905 52.037 -0.073 0.000 0.620 84 A CB -0.509 18.467 19.000 -0.040 0.000 0.822 84 A HN 0.499 nan 8.150 nan 0.000 0.443 85 E N -1.013 119.158 120.200 -0.049 0.000 2.077 85 E HA -0.212 4.139 4.350 0.001 0.000 0.193 85 E C 1.818 178.425 176.600 0.010 0.000 0.989 85 E CA 1.540 57.921 56.400 -0.032 0.000 0.800 85 E CB -0.404 29.269 29.700 -0.045 0.000 0.746 85 E HN 0.742 nan 8.360 nan 0.000 0.452 86 W N 1.403 122.532 121.300 -0.285 0.000 2.354 86 W HA -0.141 4.520 4.660 0.001 0.000 0.315 86 W C 1.908 178.369 176.519 -0.096 0.000 1.206 86 W CA 1.073 58.295 57.345 -0.205 0.000 1.290 86 W CB -0.546 28.748 29.460 -0.277 0.000 1.152 86 W HN 0.018 nan 8.180 nan 0.000 0.489 87 I N 0.569 121.004 120.570 -0.225 0.000 2.617 87 I HA 0.124 4.295 4.170 0.001 0.000 0.256 87 I C 1.816 177.824 176.117 -0.182 0.000 1.167 87 I CA 1.777 62.845 61.300 -0.387 0.000 1.469 87 I CB -1.814 35.916 38.000 -0.449 0.000 1.098 87 I HN 0.290 nan 8.210 nan 0.000 0.436 88 G N 1.690 110.439 108.800 -0.085 0.000 2.226 88 G HA2 -0.066 3.894 3.960 0.001 0.000 0.176 88 G HA3 -0.066 3.894 3.960 0.001 0.000 0.176 88 G C 0.075 174.982 174.900 0.011 0.000 1.042 88 G CA 0.168 45.253 45.100 -0.026 0.000 0.732 88 G HN 0.405 nan 8.290 nan 0.000 0.494 89 V N -4.161 115.754 119.914 0.000 0.000 3.105 89 V HA 0.860 4.981 4.120 0.001 0.000 0.311 89 V C 0.356 176.449 176.094 -0.001 0.000 1.287 89 V CA -1.897 60.419 62.300 0.027 0.000 1.066 89 V CB 1.291 33.154 31.823 0.067 0.000 1.105 89 V HN 0.356 nan 8.190 nan 0.000 0.462 90 R N 0.579 121.079 120.500 0.000 0.000 2.459 90 R HA 0.406 4.746 4.340 0.001 0.000 0.281 90 R C -1.950 174.341 176.300 -0.015 0.000 1.050 90 R CA -1.438 54.655 56.100 -0.012 0.000 1.055 90 R CB 1.243 31.533 30.300 -0.017 0.000 1.045 90 R HN 0.534 nan 8.270 nan 0.000 0.495 91 P HA -0.222 nan 4.420 nan 0.000 0.216 91 P C 0.550 177.842 177.300 -0.014 0.000 1.150 91 P CA 1.259 64.346 63.100 -0.022 0.000 0.843 91 P CB 0.205 31.886 31.700 -0.031 0.000 0.787 92 E N 0.078 120.270 120.200 -0.015 0.000 2.516 92 E HA -0.141 4.210 4.350 0.001 0.000 0.199 92 E C 0.841 177.440 176.600 -0.002 0.000 1.069 92 E CA 0.844 57.239 56.400 -0.009 0.000 0.876 92 E CB -0.751 28.939 29.700 -0.017 0.000 0.843 92 E HN 0.432 nan 8.360 nan 0.000 0.530 93 E N 0.531 120.731 120.200 0.001 0.000 2.465 93 E HA 0.163 4.514 4.350 0.001 0.000 0.195 93 E C -0.623 175.996 176.600 0.032 0.000 1.028 93 E CA -0.139 56.271 56.400 0.016 0.000 0.899 93 E CB 1.051 30.764 29.700 0.022 0.000 1.032 93 E HN -0.048 nan 8.360 nan 0.000 0.468 94 V N 1.965 121.896 119.914 0.030 0.000 2.448 94 V HA 0.311 4.432 4.120 0.001 0.000 0.295 94 V C -0.789 175.356 176.094 0.085 0.000 1.025 94 V CA -0.972 61.359 62.300 0.052 0.000 0.859 94 V CB 1.762 33.592 31.823 0.011 0.000 0.988 94 V HN 0.063 nan 8.190 nan 0.000 0.431 95 L N 6.413 127.713 121.223 0.129 0.000 2.325 95 L HA 0.632 4.973 4.340 0.001 0.000 0.281 95 L C -0.567 176.417 176.870 0.191 0.000 1.004 95 L CA -0.115 54.804 54.840 0.131 0.000 0.823 95 L CB 1.293 43.417 42.059 0.109 0.000 1.236 95 L HN 0.409 nan 8.230 nan 0.000 0.415 96 I N 4.196 124.881 120.570 0.191 0.000 2.441 96 I HA 0.346 4.516 4.170 0.001 0.000 0.287 96 I C 0.690 176.915 176.117 0.179 0.000 1.049 96 I CA 0.077 61.520 61.300 0.238 0.000 1.381 96 I CB 0.986 39.127 38.000 0.235 0.000 1.409 96 I HN 0.803 nan 8.210 nan 0.000 0.523 97 T N 0.966 115.618 114.554 0.163 0.000 2.930 97 T HA 0.403 4.753 4.350 0.001 0.000 0.290 97 T C 0.126 174.882 174.700 0.094 0.000 1.052 97 T CA -0.679 61.483 62.100 0.104 0.000 1.017 97 T CB 1.464 70.368 68.868 0.060 0.000 1.137 97 T HN 0.462 nan 8.240 nan 0.000 0.511 98 T N 2.223 116.816 114.554 0.065 0.000 4.104 98 T HA 0.562 4.913 4.350 0.001 0.000 0.285 98 T C 0.763 175.484 174.700 0.036 0.000 1.346 98 T CA 0.435 62.566 62.100 0.052 0.000 1.158 98 T CB -1.118 67.769 68.868 0.032 0.000 1.290 98 T HN 1.382 nan 8.240 nan 0.000 0.975 99 G N 1.781 110.604 108.800 0.039 0.000 2.716 99 G HA2 -0.208 3.753 3.960 0.001 0.000 0.686 99 G HA3 -0.208 3.753 3.960 0.001 0.000 0.686 99 G C 0.788 175.670 174.900 -0.030 0.000 1.337 99 G CA -0.366 44.739 45.100 0.008 0.000 0.829 99 G HN 0.733 nan 8.290 nan 0.000 0.599 100 S N -0.262 115.385 115.700 -0.088 0.000 2.515 100 S HA -0.079 4.391 4.470 0.001 0.000 0.231 100 S C 1.937 176.515 174.600 -0.037 0.000 0.987 100 S CA 1.648 59.778 58.200 -0.117 0.000 0.936 100 S CB 0.190 63.254 63.200 -0.226 0.000 0.766 100 S HN 1.081 nan 8.310 nan 0.000 0.528 101 Q N 2.107 121.908 119.800 0.000 0.000 2.084 101 Q HA -0.130 4.210 4.340 0.001 0.000 0.202 101 Q C 2.218 178.224 176.000 0.010 0.000 0.978 101 Q CA 2.067 57.890 55.803 0.033 0.000 0.844 101 Q CB -0.657 28.108 28.738 0.045 0.000 0.898 101 Q HN 0.803 nan 8.270 nan 0.000 0.426 102 Q N -0.930 118.876 119.800 0.010 0.000 2.084 102 Q HA -0.159 4.181 4.340 0.001 0.000 0.202 102 Q C 1.854 177.870 176.000 0.027 0.000 0.978 102 Q CA 1.615 57.429 55.803 0.018 0.000 0.844 102 Q CB -0.358 28.394 28.738 0.023 0.000 0.898 102 Q HN 0.478 nan 8.270 nan 0.000 0.426 103 A N 0.724 123.553 122.820 0.015 0.000 1.940 103 A HA -0.167 4.154 4.320 0.001 0.000 0.219 103 A C 2.030 179.646 177.584 0.053 0.000 1.176 103 A CA 1.295 53.346 52.037 0.023 0.000 0.631 103 A CB -0.669 18.319 19.000 -0.019 0.000 0.814 103 A HN 0.470 nan 8.150 nan 0.000 0.446 104 L N -0.836 120.417 121.223 0.049 0.000 2.056 104 L HA -0.180 4.161 4.340 0.001 0.000 0.207 104 L C 2.403 179.370 176.870 0.162 0.000 1.078 104 L CA 1.647 56.544 54.840 0.095 0.000 0.749 104 L CB -0.544 41.474 42.059 -0.068 0.000 0.901 104 L HN 0.382 nan 8.230 nan 0.000 0.433 105 D N 0.231 120.678 120.400 0.079 0.000 2.117 105 D HA -0.166 4.475 4.640 0.001 0.000 0.197 105 D C 2.276 178.647 176.300 0.119 0.000 0.987 105 D CA 1.231 55.287 54.000 0.093 0.000 0.829 105 D CB 0.017 40.842 40.800 0.041 0.000 0.961 105 D HN 0.183 nan 8.370 nan 0.000 0.460 106 L N -0.469 120.811 121.223 0.095 0.000 2.046 106 L HA -0.130 4.210 4.340 0.001 0.000 0.208 106 L C 2.620 179.563 176.870 0.122 0.000 1.077 106 L CA 0.549 55.441 54.840 0.087 0.000 0.747 106 L CB -0.524 41.575 42.059 0.067 0.000 0.896 106 L HN 0.003 nan 8.230 nan 0.000 0.432 107 V N 0.521 120.525 119.914 0.150 0.000 2.332 107 V HA -0.235 3.886 4.120 0.001 0.000 0.248 107 V C 2.654 178.898 176.094 0.250 0.000 1.055 107 V CA 2.111 64.518 62.300 0.178 0.000 1.038 107 V CB -1.242 30.566 31.823 -0.025 0.000 0.651 107 V HN 0.582 nan 8.190 nan 0.000 0.450 108 G N -0.427 108.551 108.800 0.297 0.000 2.418 108 G HA2 -0.261 3.699 3.960 0.001 0.000 0.217 108 G HA3 -0.261 3.699 3.960 0.001 0.000 0.217 108 G C 1.659 176.680 174.900 0.201 0.000 1.158 108 G CA 0.920 46.209 45.100 0.313 0.000 0.771 108 G HN 0.480 nan 8.290 nan 0.000 0.545 109 K N -0.245 120.242 120.400 0.144 0.000 2.097 109 K HA 0.014 4.334 4.320 0.001 0.000 0.206 109 K C 2.493 179.106 176.600 0.023 0.000 1.049 109 K CA 0.976 57.306 56.287 0.072 0.000 0.933 109 K CB -0.135 32.394 32.500 0.049 0.000 0.717 109 K HN 0.232 nan 8.250 nan 0.000 0.442 110 V N -0.015 119.897 119.914 -0.002 0.000 2.649 110 V HA -0.114 4.007 4.120 0.001 0.000 0.248 110 V C 1.395 177.282 176.094 -0.346 0.000 1.054 110 V CA 1.500 63.673 62.300 -0.211 0.000 1.073 110 V CB -0.262 31.357 31.823 -0.339 0.000 0.699 110 V HN 0.174 nan 8.190 nan 0.000 0.463 111 F N -1.142 118.839 119.950 0.052 0.000 2.694 111 F HA 0.390 4.917 4.527 0.001 0.000 0.292 111 F C 0.791 176.626 175.800 0.059 0.000 1.121 111 F CA 0.038 58.093 58.000 0.091 0.000 1.352 111 F CB 0.312 39.447 39.000 0.224 0.000 1.107 111 F HN -0.049 nan 8.300 nan 0.000 0.597 112 L N 0.347 121.684 121.223 0.191 0.000 2.334 112 L HA 0.493 4.834 4.340 0.001 0.000 0.272 112 L C -0.772 176.106 176.870 0.014 0.000 1.020 112 L CA -0.788 54.084 54.840 0.053 0.000 0.812 112 L CB 1.369 43.423 42.059 -0.007 0.000 1.264 112 L HN -0.126 nan 8.230 nan 0.000 0.439 113 D N -0.119 120.267 120.400 -0.023 0.000 2.559 113 D HA 0.224 4.865 4.640 0.001 0.000 0.250 113 D C -0.884 175.390 176.300 -0.043 0.000 1.135 113 D CA -0.644 53.343 54.000 -0.023 0.000 0.955 113 D CB 1.746 42.534 40.800 -0.019 0.000 1.442 113 D HN 0.437 nan 8.370 nan 0.000 0.471 114 E N -0.040 120.142 120.200 -0.030 0.000 2.480 114 E HA 0.275 4.626 4.350 0.001 0.000 0.258 114 E C 0.904 177.476 176.600 -0.046 0.000 0.984 114 E CA 0.621 57.000 56.400 -0.035 0.000 0.930 114 E CB 0.348 30.038 29.700 -0.017 0.000 0.936 114 E HN 0.747 nan 8.360 nan 0.000 0.466 115 G N 3.057 111.819 108.800 -0.064 0.000 2.184 115 G HA2 -0.355 3.605 3.960 0.001 0.000 0.264 115 G HA3 -0.355 3.605 3.960 0.001 0.000 0.264 115 G C 0.370 175.219 174.900 -0.085 0.000 0.975 115 G CA 0.519 45.580 45.100 -0.066 0.000 0.642 115 G HN 0.684 nan 8.290 nan 0.000 0.536 116 S N 1.331 116.969 115.700 -0.103 0.000 2.564 116 S HA 0.604 5.075 4.470 0.001 0.000 0.278 116 S C -1.754 172.743 174.600 -0.172 0.000 1.333 116 S CA -0.706 57.427 58.200 -0.112 0.000 1.048 116 S CB 2.062 65.204 63.200 -0.096 0.000 0.900 116 S HN 0.374 nan 8.310 nan 0.000 0.505 117 P HA 0.322 nan 4.420 nan 0.000 0.280 117 P C -0.827 176.305 177.300 -0.280 0.000 1.244 117 P CA -0.374 62.620 63.100 -0.178 0.000 0.784 117 P CB 1.264 32.897 31.700 -0.111 0.000 0.913 118 V N 4.921 124.636 119.914 -0.332 0.000 2.888 118 V HA 0.533 4.654 4.120 0.001 0.000 0.309 118 V C -1.271 174.679 176.094 -0.240 0.000 1.114 118 V CA -1.142 60.858 62.300 -0.499 0.000 0.940 118 V CB 2.292 33.655 31.823 -0.767 0.000 1.021 118 V HN 0.444 nan 8.190 nan 0.000 0.426 119 L N 7.014 128.114 121.223 -0.206 0.000 2.346 119 L HA 0.895 5.236 4.340 0.001 0.000 0.276 119 L C -1.347 175.593 176.870 0.116 0.000 1.006 119 L CA -0.310 54.526 54.840 -0.006 0.000 0.817 119 L CB 1.556 43.609 42.059 -0.009 0.000 1.272 119 L HN 0.773 nan 8.230 nan 0.000 0.421 120 L N 1.121 122.455 121.223 0.185 0.000 2.630 120 L HA 0.658 4.999 4.340 0.001 0.000 0.258 120 L C -0.752 176.200 176.870 0.136 0.000 1.072 120 L CA -0.878 54.109 54.840 0.245 0.000 0.885 120 L CB 1.195 43.509 42.059 0.425 0.000 1.502 120 L HN 0.506 nan 8.230 nan 0.000 0.406 121 E N 0.113 120.367 120.200 0.090 0.000 2.345 121 E HA 0.722 5.072 4.350 0.001 0.000 0.259 121 E C -0.764 175.813 176.600 -0.039 0.000 1.117 121 E CA -0.544 55.862 56.400 0.010 0.000 0.913 121 E CB 1.231 30.903 29.700 -0.046 0.000 1.057 121 E HN 0.835 nan 8.360 nan 0.000 0.432 122 A N 2.902 125.690 122.820 -0.054 0.000 2.323 122 A HA 0.422 4.742 4.320 0.001 0.000 0.305 122 A C -2.398 175.057 177.584 -0.214 0.000 1.275 122 A CA -1.466 50.509 52.037 -0.105 0.000 0.804 122 A CB 0.494 19.580 19.000 0.143 0.000 1.152 122 A HN 0.335 nan 8.150 nan 0.000 0.487 123 P HA 0.540 nan 4.420 nan 0.000 0.278 123 P C -0.070 176.956 177.300 -0.457 0.000 1.266 123 P CA -0.185 62.352 63.100 -0.939 0.000 0.807 123 P CB 1.924 32.820 31.700 -1.340 0.000 1.094 124 S N -0.990 114.548 115.700 -0.270 0.000 2.752 124 S HA 0.323 4.793 4.470 0.001 0.000 0.284 124 S C -1.523 173.165 174.600 0.148 0.000 1.189 124 S CA -0.574 57.602 58.200 -0.040 0.000 0.835 124 S CB 0.039 63.302 63.200 0.105 0.000 1.192 124 S HN 0.351 nan 8.310 nan 0.000 0.506 125 Y N 4.147 124.531 120.300 0.140 0.000 2.650 125 Y HA 0.169 4.721 4.550 0.002 0.000 0.331 125 Y C 1.725 177.619 175.900 -0.010 0.000 1.165 125 Y CA 0.028 58.219 58.100 0.152 0.000 1.473 125 Y CB 0.584 39.165 38.460 0.201 0.000 1.224 125 Y HN 0.688 nan 8.280 nan 0.000 0.533 126 M N 4.428 123.775 119.600 -0.422 0.000 2.202 126 M HA -0.046 4.434 4.480 0.001 0.000 0.262 126 M C 1.419 177.181 176.300 -0.897 0.000 1.063 126 M CA 2.201 57.075 55.300 -0.711 0.000 1.097 126 M CB -1.742 30.329 32.600 -0.883 0.000 1.382 126 M HN 0.726 nan 8.290 nan 0.000 0.413 127 G N -0.010 107.821 108.800 -1.614 0.000 2.422 127 G HA2 0.051 4.012 3.960 0.001 0.000 0.218 127 G HA3 0.051 4.012 3.960 0.001 0.000 0.218 127 G C 1.620 175.977 174.900 -0.905 0.000 1.140 127 G CA 1.167 45.547 45.100 -1.200 0.000 0.775 127 G HN 0.688 nan 8.290 nan 0.000 0.545 128 A N 0.700 122.907 122.820 -1.021 0.000 1.897 128 A HA 0.169 4.489 4.320 0.001 0.000 0.215 128 A C 2.354 179.269 177.584 -1.116 0.000 1.181 128 A CA 0.939 52.321 52.037 -1.091 0.000 0.620 128 A CB -0.284 18.018 19.000 -1.163 0.000 0.821 128 A HN 0.337 nan 8.150 nan 0.000 0.443 129 I N -0.618 119.562 120.570 -0.650 0.000 2.163 129 I HA -0.314 3.857 4.170 0.001 0.000 0.243 129 I C 2.774 178.746 176.117 -0.242 0.000 1.085 129 I CA 1.895 62.967 61.300 -0.380 0.000 1.347 129 I CB -0.279 37.452 38.000 -0.448 0.000 1.044 129 I HN 0.424 nan 8.210 nan 0.000 0.408 130 Q N 1.145 120.739 119.800 -0.343 0.000 2.050 130 Q HA -0.200 4.141 4.340 0.001 0.000 0.202 130 Q C 2.200 178.108 176.000 -0.153 0.000 0.980 130 Q CA 2.384 58.054 55.803 -0.221 0.000 0.840 130 Q CB -0.318 28.264 28.738 -0.261 0.000 0.898 130 Q HN 0.498 nan 8.270 nan 0.000 0.424 131 A N -0.367 122.292 122.820 -0.269 0.000 1.877 131 A HA -0.145 4.175 4.320 0.001 0.000 0.216 131 A C 1.788 179.418 177.584 0.078 0.000 1.186 131 A CA 1.606 53.553 52.037 -0.149 0.000 0.620 131 A CB -0.901 17.945 19.000 -0.256 0.000 0.822 131 A HN 0.493 nan 8.150 nan 0.000 0.443 132 F N -0.419 119.570 119.950 0.064 0.000 2.206 132 F HA 0.024 4.552 4.527 0.001 0.000 0.298 132 F C 2.288 178.137 175.800 0.082 0.000 1.090 132 F CA 0.819 58.881 58.000 0.103 0.000 1.323 132 F CB -1.012 38.090 39.000 0.169 0.000 1.028 132 F HN 0.215 nan 8.300 nan 0.000 0.492 133 R N 0.529 121.253 120.500 0.374 0.000 2.127 133 R HA -0.187 4.154 4.340 0.001 0.000 0.238 133 R C 2.197 178.570 176.300 0.122 0.000 1.134 133 R CA 0.847 57.120 56.100 0.288 0.000 0.975 133 R CB -0.570 29.888 30.300 0.263 0.000 0.865 133 R HN 0.252 nan 8.270 nan 0.000 0.447 134 L N 1.130 122.410 121.223 0.094 0.000 2.129 134 L HA -0.210 4.131 4.340 0.001 0.000 0.212 134 L C 1.496 178.393 176.870 0.045 0.000 1.087 134 L CA 1.820 56.691 54.840 0.052 0.000 0.757 134 L CB -0.213 41.872 42.059 0.043 0.000 0.896 134 L HN 0.225 nan 8.230 nan 0.000 0.434 135 Q N -0.013 119.818 119.800 0.053 0.000 2.403 135 Q HA 0.227 4.568 4.340 0.001 0.000 0.203 135 Q C 1.385 177.375 176.000 -0.016 0.000 0.932 135 Q CA 0.704 56.520 55.803 0.022 0.000 0.945 135 Q CB -0.188 28.569 28.738 0.031 0.000 1.045 135 Q HN 0.607 nan 8.270 nan 0.000 0.511 136 G N 2.959 111.747 108.800 -0.020 0.000 2.246 136 G HA2 -0.208 3.753 3.960 0.001 0.000 0.273 136 G HA3 -0.208 3.753 3.960 0.001 0.000 0.273 136 G C -2.206 172.627 174.900 -0.112 0.000 1.055 136 G CA 0.116 45.192 45.100 -0.040 0.000 0.851 136 G HN 0.269 nan 8.290 nan 0.000 0.500 137 P HA 0.327 nan 4.420 nan 0.000 0.277 137 P C -0.197 176.883 177.300 -0.366 0.000 1.271 137 P CA -0.466 62.431 63.100 -0.338 0.000 0.795 137 P CB 0.939 32.327 31.700 -0.520 0.000 1.101 138 R N 0.489 120.812 120.500 -0.295 0.000 2.229 138 R HA 0.390 4.730 4.340 0.001 0.000 0.332 138 R C -0.413 175.760 176.300 -0.212 0.000 0.989 138 R CA -0.528 55.471 56.100 -0.170 0.000 0.842 138 R CB 0.117 30.366 30.300 -0.084 0.000 1.119 138 R HN 0.427 nan 8.270 nan 0.000 0.456 139 F N 3.951 123.894 119.950 -0.013 0.000 2.438 139 F HA 0.224 4.752 4.527 0.001 0.000 0.356 139 F C 0.497 176.295 175.800 -0.004 0.000 1.099 139 F CA -0.278 57.717 58.000 -0.008 0.000 1.185 139 F CB 0.686 39.701 39.000 0.025 0.000 1.115 139 F HN 0.177 nan 8.300 nan 0.000 0.526 140 L N 3.620 124.941 121.223 0.163 0.000 2.322 140 L HA 0.602 4.943 4.340 0.001 0.000 0.281 140 L C 0.040 176.981 176.870 0.119 0.000 1.014 140 L CA -0.623 54.277 54.840 0.100 0.000 0.815 140 L CB 1.951 44.029 42.059 0.032 0.000 1.247 140 L HN 0.665 nan 8.230 nan 0.000 0.421 141 T N 0.071 114.686 114.554 0.101 0.000 2.916 141 T HA 0.826 5.176 4.350 0.001 0.000 0.292 141 T C -0.514 174.226 174.700 0.066 0.000 1.064 141 T CA -0.758 61.396 62.100 0.090 0.000 1.011 141 T CB 2.165 71.091 68.868 0.097 0.000 1.152 141 T HN 0.439 nan 8.240 nan 0.000 0.510 142 V N -2.292 117.654 119.914 0.055 0.000 3.007 142 V HA 0.809 4.930 4.120 0.001 0.000 0.311 142 V C -3.279 172.838 176.094 0.038 0.000 1.120 142 V CA -3.048 59.278 62.300 0.042 0.000 0.980 142 V CB 1.422 33.261 31.823 0.026 0.000 1.033 142 V HN 0.764 nan 8.190 nan 0.000 0.429 143 P HA 0.469 nan 4.420 nan 0.000 0.269 143 P C -0.675 176.628 177.300 0.005 0.000 1.209 143 P CA 0.309 63.436 63.100 0.045 0.000 0.776 143 P CB 0.755 32.489 31.700 0.058 0.000 0.876 144 A N 2.236 125.043 122.820 -0.022 0.000 2.318 144 A HA 0.764 5.085 4.320 0.001 0.000 0.324 144 A C 0.164 177.720 177.584 -0.047 0.000 1.170 144 A CA -0.229 51.767 52.037 -0.070 0.000 0.810 144 A CB 1.021 19.927 19.000 -0.157 0.000 1.198 144 A HN 0.585 nan 8.150 nan 0.000 0.484 145 G N -0.404 108.374 108.800 -0.036 0.000 3.105 145 G HA2 0.490 4.451 3.960 0.001 0.000 0.277 145 G HA3 0.490 4.451 3.960 0.001 0.000 0.277 145 G C 0.120 175.012 174.900 -0.014 0.000 1.375 145 G CA -0.239 44.858 45.100 -0.005 0.000 0.962 145 G HN 0.456 nan 8.290 nan 0.000 0.541 146 E N -0.178 120.030 120.200 0.013 0.000 2.204 146 E HA -0.073 4.277 4.350 0.001 0.000 0.195 146 E C 1.405 178.004 176.600 -0.001 0.000 0.990 146 E CA 0.887 57.297 56.400 0.017 0.000 0.821 146 E CB 0.209 29.932 29.700 0.037 0.000 0.750 146 E HN 0.631 nan 8.360 nan 0.000 0.477 147 E N -0.416 119.778 120.200 -0.011 0.000 2.437 147 E HA 0.286 4.637 4.350 0.001 0.000 0.195 147 E C 0.546 177.120 176.600 -0.044 0.000 1.029 147 E CA 0.140 56.525 56.400 -0.024 0.000 0.948 147 E CB 0.493 30.184 29.700 -0.015 0.000 1.082 147 E HN 0.224 nan 8.360 nan 0.000 0.456 148 G N 2.524 111.291 108.800 -0.056 0.000 2.508 148 G HA2 -0.205 3.756 3.960 0.001 0.000 0.220 148 G HA3 -0.205 3.756 3.960 0.001 0.000 0.220 148 G C -2.662 172.204 174.900 -0.057 0.000 1.287 148 G CA -0.857 44.200 45.100 -0.073 0.000 0.916 148 G HN 0.072 nan 8.290 nan 0.000 0.574 149 P HA 0.264 nan 4.420 nan 0.000 0.271 149 P C -0.878 176.408 177.300 -0.023 0.000 1.218 149 P CA 0.093 63.171 63.100 -0.037 0.000 0.780 149 P CB 0.856 32.535 31.700 -0.035 0.000 0.901 150 D N 2.877 123.270 120.400 -0.010 0.000 2.348 150 D HA 0.037 4.678 4.640 0.001 0.000 0.259 150 D C 1.192 177.490 176.300 -0.004 0.000 1.296 150 D CA 0.009 54.007 54.000 -0.003 0.000 0.931 150 D CB 0.046 40.852 40.800 0.009 0.000 1.067 150 D HN 0.250 nan 8.370 nan 0.000 0.503 151 L N 2.756 123.973 121.223 -0.010 0.000 2.376 151 L HA -0.077 4.263 4.340 0.001 0.000 0.219 151 L C 1.533 178.399 176.870 -0.008 0.000 1.133 151 L CA 0.496 55.329 54.840 -0.012 0.000 0.816 151 L CB -0.016 42.032 42.059 -0.018 0.000 0.933 151 L HN 0.324 nan 8.230 nan 0.000 0.449 152 D N 0.495 120.892 120.400 -0.004 0.000 2.162 152 D HA -0.079 4.562 4.640 0.001 0.000 0.203 152 D C 2.250 178.551 176.300 0.002 0.000 0.967 152 D CA 1.324 55.323 54.000 -0.002 0.000 0.840 152 D CB 0.207 41.007 40.800 -0.000 0.000 0.972 152 D HN 0.275 nan 8.370 nan 0.000 0.482 153 A N 1.013 123.836 122.820 0.006 0.000 1.930 153 A HA -0.110 4.210 4.320 0.001 0.000 0.217 153 A C 2.150 179.739 177.584 0.009 0.000 1.175 153 A CA 0.762 52.805 52.037 0.011 0.000 0.627 153 A CB -0.581 18.430 19.000 0.018 0.000 0.815 153 A HN 0.202 nan 8.150 nan 0.000 0.443 154 L N 0.223 121.449 121.223 0.005 0.000 2.046 154 L HA -0.135 4.205 4.340 0.001 0.000 0.208 154 L C 2.247 179.116 176.870 -0.002 0.000 1.077 154 L CA 2.644 57.486 54.840 0.003 0.000 0.747 154 L CB -0.649 41.409 42.059 -0.002 0.000 0.896 154 L HN 0.610 nan 8.230 nan 0.000 0.432 155 E N -0.812 119.385 120.200 -0.005 0.000 2.085 155 E HA -0.255 4.096 4.350 0.001 0.000 0.194 155 E C 1.895 178.492 176.600 -0.004 0.000 0.994 155 E CA 1.476 57.871 56.400 -0.008 0.000 0.801 155 E CB 0.007 29.701 29.700 -0.009 0.000 0.743 155 E HN 0.514 nan 8.360 nan 0.000 0.453 156 E N 0.128 120.328 120.200 -0.000 0.000 2.072 156 E HA -0.130 4.221 4.350 0.001 0.000 0.191 156 E C 2.305 178.907 176.600 0.003 0.000 0.985 156 E CA 0.835 57.236 56.400 0.002 0.000 0.801 156 E CB -0.251 29.452 29.700 0.005 0.000 0.750 156 E HN 0.217 nan 8.360 nan 0.000 0.452 157 V N 1.736 121.653 119.914 0.004 0.000 2.295 157 V HA -0.233 3.887 4.120 0.001 0.000 0.246 157 V C 2.481 178.575 176.094 -0.001 0.000 1.049 157 V CA 1.390 63.693 62.300 0.004 0.000 1.024 157 V CB -0.530 31.298 31.823 0.008 0.000 0.648 157 V HN 0.220 nan 8.190 nan 0.000 0.447 158 L N -0.589 120.631 121.223 -0.003 0.000 2.362 158 L HA -0.143 4.198 4.340 0.001 0.000 0.219 158 L C 2.379 179.245 176.870 -0.006 0.000 1.134 158 L CA 1.271 56.107 54.840 -0.006 0.000 0.807 158 L CB -0.601 41.453 42.059 -0.009 0.000 0.927 158 L HN 0.331 nan 8.230 nan 0.000 0.447 159 K N -0.327 120.070 120.400 -0.005 0.000 2.288 159 K HA -0.022 4.298 4.320 0.001 0.000 0.201 159 K C 1.802 178.400 176.600 -0.003 0.000 1.048 159 K CA 0.593 56.877 56.287 -0.004 0.000 0.956 159 K CB 0.205 32.703 32.500 -0.003 0.000 0.746 159 K HN 0.230 nan 8.250 nan 0.000 0.461 160 R N 0.179 120.677 120.500 -0.003 0.000 2.369 160 R HA 0.200 4.540 4.340 0.001 0.000 0.210 160 R C 0.106 176.402 176.300 -0.006 0.000 0.881 160 R CA 0.401 56.499 56.100 -0.003 0.000 1.031 160 R CB 0.679 30.978 30.300 -0.001 0.000 1.184 160 R HN 0.105 nan 8.270 nan 0.000 0.581 161 E N 1.220 121.415 120.200 -0.008 0.000 2.317 161 E HA 0.317 4.667 4.350 0.001 0.000 0.270 161 E C -0.937 175.653 176.600 -0.017 0.000 0.885 161 E CA -0.687 55.705 56.400 -0.014 0.000 0.760 161 E CB 2.912 32.601 29.700 -0.017 0.000 1.227 161 E HN -0.126 nan 8.360 nan 0.000 0.434 162 R N 3.105 123.592 120.500 -0.022 0.000 2.287 162 R HA 0.290 4.631 4.340 0.001 0.000 0.316 162 R C -2.323 173.952 176.300 -0.042 0.000 1.050 162 R CA -1.637 54.450 56.100 -0.021 0.000 0.983 162 R CB 0.694 30.989 30.300 -0.008 0.000 1.140 162 R HN 0.244 nan 8.270 nan 0.000 0.528 163 P HA 0.052 nan 4.420 nan 0.000 0.271 163 P C -0.006 177.222 177.300 -0.120 0.000 1.218 163 P CA -0.353 62.673 63.100 -0.122 0.000 0.780 163 P CB 0.942 32.561 31.700 -0.135 0.000 0.901 164 R N 1.267 121.651 120.500 -0.192 0.000 2.120 164 R HA -0.013 4.328 4.340 0.001 0.000 0.234 164 R C 0.859 177.146 176.300 -0.021 0.000 1.123 164 R CA 1.305 57.359 56.100 -0.077 0.000 0.975 164 R CB -0.859 29.395 30.300 -0.076 0.000 0.866 164 R HN 0.699 nan 8.270 nan 0.000 0.446 165 F N -3.808 116.044 119.950 -0.165 0.000 2.807 165 F HA 0.456 4.984 4.527 0.001 0.000 0.316 165 F C -1.714 174.023 175.800 -0.105 0.000 1.162 165 F CA -1.750 56.131 58.000 -0.198 0.000 0.910 165 F CB 0.553 39.316 39.000 -0.395 0.000 1.314 165 F HN -0.348 nan 8.300 nan 0.000 0.454 166 L N 2.552 123.915 121.223 0.234 0.000 2.313 166 L HA 0.463 4.804 4.340 0.001 0.000 0.283 166 L C -1.112 175.981 176.870 0.372 0.000 1.013 166 L CA -0.693 54.258 54.840 0.184 0.000 0.816 166 L CB 1.332 43.451 42.059 0.100 0.000 1.236 166 L HN 0.681 nan 8.230 nan 0.000 0.419 167 Y N 4.597 125.066 120.300 0.281 0.000 2.335 167 Y HA 0.771 5.322 4.550 0.001 0.000 0.339 167 Y C -1.189 174.824 175.900 0.188 0.000 0.987 167 Y CA -0.655 57.642 58.100 0.328 0.000 1.140 167 Y CB 0.779 39.577 38.460 0.564 0.000 1.173 167 Y HN 0.473 nan 8.280 nan 0.000 0.486 168 L N 6.906 127.858 121.223 -0.451 0.000 2.350 168 L HA 0.593 4.933 4.340 0.001 0.000 0.260 168 L C -1.006 175.556 176.870 -0.512 0.000 1.015 168 L CA -1.054 53.547 54.840 -0.398 0.000 0.821 168 L CB 2.733 44.695 42.059 -0.162 0.000 1.370 168 L HN 0.533 nan 8.230 nan 0.000 0.416 169 I N 1.697 122.065 120.570 -0.338 0.000 2.796 169 I HA 0.211 4.381 4.170 0.001 0.000 0.279 169 I C -1.927 174.081 176.117 -0.181 0.000 1.289 169 I CA -1.132 60.025 61.300 -0.239 0.000 1.021 169 I CB 1.486 39.391 38.000 -0.158 0.000 1.414 169 I HN 0.360 nan 8.210 nan 0.000 0.562 170 P HA -0.073 nan 4.420 nan 0.000 0.218 170 P C 0.171 177.303 177.300 -0.281 0.000 1.148 170 P CA 1.200 64.192 63.100 -0.179 0.000 0.822 170 P CB 0.246 31.869 31.700 -0.129 0.000 0.784 171 S N 0.296 115.803 115.700 -0.321 0.000 2.474 171 S HA 0.389 4.860 4.470 0.001 0.000 0.320 171 S C -0.708 173.514 174.600 -0.630 0.000 1.067 171 S CA -0.503 57.277 58.200 -0.700 0.000 1.127 171 S CB -0.681 62.200 63.200 -0.532 0.000 0.971 171 S HN 0.041 nan 8.310 nan 0.000 0.472 172 F N 0.565 120.487 119.950 -0.048 0.000 2.803 172 F HA -0.175 4.354 4.527 0.002 0.000 0.323 172 F C 0.723 176.458 175.800 -0.109 0.000 1.033 172 F CA -0.092 57.842 58.000 -0.110 0.000 1.066 172 F CB -1.924 36.969 39.000 -0.179 0.000 1.283 172 F HN 0.610 nan 8.300 nan 0.000 0.816 173 Q N 1.649 121.422 119.800 -0.045 0.000 2.304 173 Q HA -0.043 4.298 4.340 0.001 0.000 0.301 173 Q C 0.421 176.368 176.000 -0.088 0.000 1.063 173 Q CA 0.210 55.970 55.803 -0.072 0.000 0.947 173 Q CB 0.573 29.223 28.738 -0.147 0.000 1.201 173 Q HN 0.475 nan 8.270 nan 0.000 0.389 174 N N 4.976 123.650 118.700 -0.042 0.000 2.419 174 N HA 0.206 4.946 4.740 0.001 0.000 0.264 174 N C -2.142 173.194 175.510 -0.289 0.000 1.031 174 N CA -1.963 50.994 53.050 -0.156 0.000 0.951 174 N CB 1.242 39.782 38.487 0.089 0.000 1.101 174 N HN 0.377 nan 8.380 nan 0.000 0.488 175 P HA 0.100 nan 4.420 nan 0.000 0.275 175 P C 0.745 177.563 177.300 -0.804 0.000 1.310 175 P CA 0.339 62.821 63.100 -1.031 0.000 0.904 175 P CB 0.254 30.928 31.700 -1.710 0.000 1.381 176 T N -4.333 109.739 114.554 -0.804 0.000 3.023 176 T HA 0.170 4.521 4.350 0.001 0.000 0.266 176 T C 1.697 176.319 174.700 -0.131 0.000 1.093 176 T CA 1.218 62.962 62.100 -0.593 0.000 1.129 176 T CB -1.215 67.300 68.868 -0.587 0.000 0.899 176 T HN 0.184 nan 8.240 nan 0.000 0.491 177 G N 0.938 109.695 108.800 -0.072 0.000 2.159 177 G HA2 -0.092 3.868 3.960 0.001 0.000 0.256 177 G HA3 -0.092 3.868 3.960 0.001 0.000 0.256 177 G C 0.466 175.415 174.900 0.083 0.000 0.977 177 G CA 0.001 45.145 45.100 0.073 0.000 0.652 177 G HN 1.061 nan 8.290 nan 0.000 0.531 178 G N -0.581 108.204 108.800 -0.024 0.000 2.491 178 G HA2 0.530 4.491 3.960 0.001 0.000 0.238 178 G HA3 0.530 4.491 3.960 0.001 0.000 0.238 178 G C -0.268 174.584 174.900 -0.079 0.000 1.277 178 G CA 0.381 45.460 45.100 -0.034 0.000 0.851 178 G HN 1.216 nan 8.290 nan 0.000 0.573 179 L N 1.403 122.578 121.223 -0.080 0.000 2.372 179 L HA 0.469 4.810 4.340 0.001 0.000 0.274 179 L C 0.316 177.104 176.870 -0.138 0.000 0.988 179 L CA -0.379 54.343 54.840 -0.196 0.000 0.833 179 L CB 1.846 43.822 42.059 -0.138 0.000 1.236 179 L HN 0.423 nan 8.230 nan 0.000 0.410 180 T N 7.514 121.970 114.554 -0.163 0.000 2.752 180 T HA 0.317 4.668 4.350 0.001 0.000 0.295 180 T C -2.406 172.233 174.700 -0.101 0.000 0.923 180 T CA -0.664 61.370 62.100 -0.112 0.000 1.112 180 T CB 0.324 69.126 68.868 -0.111 0.000 0.884 180 T HN 0.476 nan 8.240 nan 0.000 0.525 181 P HA 0.116 nan 4.420 nan 0.000 0.272 181 P C 1.049 178.317 177.300 -0.053 0.000 1.240 181 P CA -0.655 62.413 63.100 -0.053 0.000 0.791 181 P CB 0.807 32.487 31.700 -0.032 0.000 0.978 182 L N 2.823 124.018 121.223 -0.047 0.000 2.012 182 L HA -0.096 4.245 4.340 0.001 0.000 0.210 182 L C -0.852 175.994 176.870 -0.040 0.000 1.073 182 L CA 2.677 57.490 54.840 -0.046 0.000 0.748 182 L CB -2.481 39.553 42.059 -0.041 0.000 0.891 182 L HN 0.335 nan 8.230 nan 0.000 0.431 183 P HA -0.137 nan 4.420 nan 0.000 0.216 183 P C 1.506 178.785 177.300 -0.035 0.000 1.150 183 P CA 1.900 64.981 63.100 -0.031 0.000 0.837 183 P CB -0.164 31.521 31.700 -0.025 0.000 0.786 184 A N -0.165 122.633 122.820 -0.036 0.000 1.930 184 A HA -0.184 4.136 4.320 0.001 0.000 0.217 184 A C 2.220 179.778 177.584 -0.043 0.000 1.175 184 A CA 1.309 53.323 52.037 -0.038 0.000 0.627 184 A CB -0.962 18.014 19.000 -0.040 0.000 0.815 184 A HN 0.064 nan 8.150 nan 0.000 0.443 185 R N -0.158 120.313 120.500 -0.047 0.000 2.096 185 R HA -0.106 4.235 4.340 0.001 0.000 0.235 185 R C 2.114 178.386 176.300 -0.046 0.000 1.127 185 R CA 1.675 57.747 56.100 -0.047 0.000 0.968 185 R CB -0.252 30.018 30.300 -0.049 0.000 0.861 185 R HN 0.497 nan 8.270 nan 0.000 0.440 186 K N 0.109 120.481 120.400 -0.046 0.000 2.097 186 K HA -0.126 4.195 4.320 0.001 0.000 0.205 186 K C 2.185 178.752 176.600 -0.054 0.000 1.050 186 K CA 0.990 57.247 56.287 -0.050 0.000 0.938 186 K CB -0.078 32.395 32.500 -0.045 0.000 0.718 186 K HN 0.082 nan 8.250 nan 0.000 0.442 187 R N 1.171 121.643 120.500 -0.047 0.000 2.075 187 R HA -0.085 4.256 4.340 0.001 0.000 0.232 187 R C 2.271 178.540 176.300 -0.053 0.000 1.126 187 R CA 0.903 56.975 56.100 -0.047 0.000 0.963 187 R CB -0.204 30.073 30.300 -0.038 0.000 0.858 187 R HN 0.148 nan 8.270 nan 0.000 0.435 188 L N 1.416 122.610 121.223 -0.049 0.000 2.017 188 L HA -0.163 4.178 4.340 0.001 0.000 0.208 188 L C 2.112 178.942 176.870 -0.066 0.000 1.073 188 L CA 1.649 56.460 54.840 -0.048 0.000 0.745 188 L CB -1.009 41.026 42.059 -0.039 0.000 0.894 188 L HN 0.366 nan 8.230 nan 0.000 0.432 189 L N 0.301 121.479 121.223 -0.075 0.000 2.079 189 L HA -0.250 4.091 4.340 0.001 0.000 0.210 189 L C 2.612 179.376 176.870 -0.177 0.000 1.081 189 L CA 1.941 56.712 54.840 -0.115 0.000 0.752 189 L CB -0.635 41.366 42.059 -0.097 0.000 0.896 189 L HN 0.364 nan 8.230 nan 0.000 0.433 190 Q N -0.821 118.900 119.800 -0.132 0.000 2.084 190 Q HA -0.199 4.141 4.340 0.001 0.000 0.202 190 Q C 2.157 178.078 176.000 -0.131 0.000 0.978 190 Q CA 2.280 58.002 55.803 -0.134 0.000 0.844 190 Q CB -0.238 28.447 28.738 -0.090 0.000 0.898 190 Q HN 0.572 nan 8.270 nan 0.000 0.426 191 M N -1.323 118.218 119.600 -0.098 0.000 2.108 191 M HA -0.185 4.296 4.480 0.001 0.000 0.261 191 M C 1.995 178.240 176.300 -0.091 0.000 1.066 191 M CA 1.211 56.464 55.300 -0.077 0.000 1.107 191 M CB -0.213 32.356 32.600 -0.052 0.000 1.356 191 M HN 0.084 nan 8.290 nan 0.000 0.406 192 V N 0.267 120.110 119.914 -0.118 0.000 2.323 192 V HA -0.230 3.891 4.120 0.001 0.000 0.244 192 V C 2.318 178.268 176.094 -0.239 0.000 1.041 192 V CA 1.666 63.895 62.300 -0.119 0.000 1.025 192 V CB -0.430 31.345 31.823 -0.080 0.000 0.656 192 V HN 0.494 nan 8.190 nan 0.000 0.451 193 M N -0.632 118.687 119.600 -0.469 0.000 2.175 193 M HA -0.182 4.299 4.480 0.001 0.000 0.264 193 M C 2.076 178.231 176.300 -0.241 0.000 1.063 193 M CA 1.690 56.601 55.300 -0.648 0.000 1.119 193 M CB -0.531 31.644 32.600 -0.708 0.000 1.377 193 M HN 0.377 nan 8.290 nan 0.000 0.415 194 E N 0.219 120.323 120.200 -0.160 0.000 2.265 194 E HA -0.148 4.202 4.350 0.001 0.000 0.196 194 E C 1.371 177.947 176.600 -0.041 0.000 0.996 194 E CA 0.783 57.135 56.400 -0.081 0.000 0.832 194 E CB 0.020 29.680 29.700 -0.067 0.000 0.756 194 E HN 0.519 nan 8.360 nan 0.000 0.491 195 R N -0.693 119.786 120.500 -0.034 0.000 2.508 195 R HA 0.154 4.495 4.340 0.001 0.000 0.300 195 R C 0.633 176.959 176.300 0.043 0.000 0.970 195 R CA 0.345 56.447 56.100 0.003 0.000 1.102 195 R CB 1.145 31.444 30.300 -0.001 0.000 1.246 195 R HN 0.117 nan 8.270 nan 0.000 0.539 196 G N 2.220 111.068 108.800 0.080 0.000 2.305 196 G HA2 -0.285 3.675 3.960 0.001 0.000 0.287 196 G HA3 -0.285 3.675 3.960 0.001 0.000 0.287 196 G C 0.055 175.073 174.900 0.196 0.000 1.036 196 G CA 0.200 45.418 45.100 0.196 0.000 0.887 196 G HN 0.169 nan 8.290 nan 0.000 0.505 197 L N -0.889 120.440 121.223 0.177 0.000 2.439 197 L HA 0.542 4.883 4.340 0.001 0.000 0.261 197 L C 0.982 177.963 176.870 0.185 0.000 1.153 197 L CA -1.064 53.858 54.840 0.137 0.000 0.808 197 L CB 1.258 43.363 42.059 0.076 0.000 1.126 197 L HN -0.034 nan 8.230 nan 0.000 0.460 198 V N 2.438 122.417 119.914 0.108 0.000 2.481 198 V HA 0.359 4.480 4.120 0.001 0.000 0.286 198 V C 0.027 176.167 176.094 0.077 0.000 1.042 198 V CA -0.507 61.827 62.300 0.056 0.000 0.928 198 V CB 1.829 33.607 31.823 -0.075 0.000 0.986 198 V HN 0.396 nan 8.190 nan 0.000 0.462 199 V N 4.962 124.919 119.914 0.072 0.000 2.540 199 V HA 0.443 4.564 4.120 0.001 0.000 0.302 199 V C -0.369 175.740 176.094 0.026 0.000 1.035 199 V CA -0.624 61.729 62.300 0.088 0.000 0.873 199 V CB 2.226 34.116 31.823 0.112 0.000 0.992 199 V HN 0.582 nan 8.190 nan 0.000 0.428 200 V N 4.184 124.113 119.914 0.027 0.000 2.311 200 V HA 0.363 4.484 4.120 0.001 0.000 0.275 200 V C 0.105 176.212 176.094 0.021 0.000 1.022 200 V CA -0.424 61.862 62.300 -0.022 0.000 0.830 200 V CB 1.335 33.096 31.823 -0.103 0.000 1.012 200 V HN 0.950 nan 8.190 nan 0.000 0.452 201 E N 3.966 124.164 120.200 -0.004 0.000 2.109 201 E HA 0.214 4.565 4.350 0.001 0.000 0.278 201 E C -0.943 175.542 176.600 -0.192 0.000 0.954 201 E CA -0.602 55.759 56.400 -0.064 0.000 0.779 201 E CB 0.928 30.676 29.700 0.080 0.000 1.093 201 E HN 0.646 nan 8.360 nan 0.000 0.401 202 D N 4.177 124.435 120.400 -0.236 0.000 2.396 202 D HA 0.087 4.727 4.640 0.001 0.000 0.225 202 D C -0.758 175.371 176.300 -0.284 0.000 1.121 202 D CA -0.329 53.526 54.000 -0.242 0.000 0.853 202 D CB 1.154 41.897 40.800 -0.094 0.000 1.043 202 D HN 0.367 nan 8.370 nan 0.000 0.500 203 D N 2.657 122.806 120.400 -0.419 0.000 2.738 203 D HA 0.256 4.897 4.640 0.001 0.000 0.246 203 D C 1.404 177.522 176.300 -0.304 0.000 1.270 203 D CA -0.202 53.615 54.000 -0.305 0.000 0.833 203 D CB 0.328 40.935 40.800 -0.321 0.000 1.040 203 D HN 0.450 nan 8.370 nan 0.000 0.487 204 A N -0.340 122.238 122.820 -0.403 0.000 1.948 204 A HA -0.221 4.099 4.320 0.001 0.000 0.220 204 A C 1.042 178.250 177.584 -0.626 0.000 1.177 204 A CA 1.262 52.941 52.037 -0.597 0.000 0.636 204 A CB -0.573 17.910 19.000 -0.861 0.000 0.815 204 A HN 0.400 nan 8.150 nan 0.000 0.449 205 Y N -0.894 119.392 120.300 -0.023 0.000 2.625 205 Y HA 0.240 4.790 4.550 -0.000 0.000 0.285 205 Y C 1.774 177.790 175.900 0.194 0.000 1.168 205 Y CA -0.149 57.988 58.100 0.062 0.000 1.250 205 Y CB -0.363 38.160 38.460 0.104 0.000 1.130 205 Y HN 0.363 nan 8.280 nan 0.000 0.526 206 R N 1.146 121.764 120.500 0.196 0.000 2.134 206 R HA -0.213 4.127 4.340 0.001 0.000 0.248 206 R C 0.923 177.475 176.300 0.421 0.000 1.143 206 R CA 2.181 58.437 56.100 0.260 0.000 0.957 206 R CB 0.080 30.500 30.300 0.200 0.000 0.867 206 R HN 0.241 nan 8.270 nan 0.000 0.441 207 E N 0.235 120.654 120.200 0.364 0.000 2.479 207 E HA -0.007 4.344 4.350 0.001 0.000 0.193 207 E C 0.389 177.053 176.600 0.106 0.000 1.049 207 E CA 0.149 56.746 56.400 0.327 0.000 0.870 207 E CB 0.410 30.270 29.700 0.266 0.000 0.944 207 E HN 0.264 nan 8.360 nan 0.000 0.492 208 L N 1.710 123.024 121.223 0.151 0.000 2.928 208 L HA 0.095 4.436 4.340 0.001 0.000 0.236 208 L C -0.043 176.638 176.870 -0.316 0.000 1.290 208 L CA -0.312 54.493 54.840 -0.058 0.000 1.099 208 L CB -1.137 40.847 42.059 -0.123 0.000 1.437 208 L HN 0.037 nan 8.230 nan 0.000 0.493 209 Y N -3.919 116.341 120.300 -0.067 0.000 2.336 209 Y HA 0.344 4.894 4.550 -0.000 0.000 0.331 209 Y C 0.724 176.623 175.900 -0.003 0.000 1.211 209 Y CA -0.777 57.200 58.100 -0.204 0.000 1.346 209 Y CB 0.220 38.819 38.460 0.233 0.000 1.271 209 Y HN -0.022 nan 8.280 nan 0.000 0.538 210 F N 1.387 121.344 119.950 0.011 0.000 2.746 210 F HA 0.315 4.843 4.527 0.002 0.000 0.297 210 F C 1.533 177.407 175.800 0.124 0.000 1.113 210 F CA -0.462 57.542 58.000 0.007 0.000 1.367 210 F CB -0.677 38.299 39.000 -0.041 0.000 1.111 210 F HN 0.793 nan 8.300 nan 0.000 0.590 211 G N -0.033 109.017 108.800 0.417 0.000 2.516 211 G HA2 0.114 4.074 3.960 0.001 0.000 0.276 211 G HA3 0.114 4.074 3.960 0.001 0.000 0.276 211 G C 0.883 176.003 174.900 0.367 0.000 1.390 211 G CA 0.052 45.346 45.100 0.323 0.000 1.050 211 G HN 0.169 nan 8.290 nan 0.000 0.519 212 E N -1.067 119.275 120.200 0.236 0.000 2.112 212 E HA 0.277 4.628 4.350 0.001 0.000 0.190 212 E C 0.976 177.709 176.600 0.220 0.000 0.979 212 E CA 1.200 57.725 56.400 0.208 0.000 0.814 212 E CB -0.003 29.767 29.700 0.116 0.000 0.762 212 E HN 0.647 nan 8.360 nan 0.000 0.460 213 A N -0.346 122.493 122.820 0.032 0.000 2.527 213 A HA 0.649 4.970 4.320 0.001 0.000 0.293 213 A C -1.016 176.136 177.584 -0.720 0.000 1.117 213 A CA -0.665 51.233 52.037 -0.232 0.000 0.723 213 A CB 1.106 20.047 19.000 -0.098 0.000 1.313 213 A HN 0.158 nan 8.150 nan 0.000 0.411 214 R N 0.910 120.906 120.500 -0.840 0.000 2.357 214 R HA 0.559 4.900 4.340 0.001 0.000 0.296 214 R C -0.929 175.201 176.300 -0.285 0.000 1.052 214 R CA -0.419 55.257 56.100 -0.707 0.000 0.988 214 R CB 0.314 30.372 30.300 -0.403 0.000 1.025 214 R HN 0.677 nan 8.270 nan 0.000 0.469 215 L N 5.499 126.605 121.223 -0.194 0.000 2.436 215 L HA 0.317 4.658 4.340 0.001 0.000 0.265 215 L C -1.809 175.008 176.870 -0.089 0.000 1.168 215 L CA -2.101 52.667 54.840 -0.120 0.000 0.815 215 L CB 0.904 42.897 42.059 -0.110 0.000 1.109 215 L HN 0.551 nan 8.230 nan 0.000 0.462 216 P HA 0.018 nan 4.420 nan 0.000 0.268 216 P C -0.653 176.623 177.300 -0.040 0.000 1.204 216 P CA -0.183 62.885 63.100 -0.053 0.000 0.768 216 P CB 0.656 32.326 31.700 -0.050 0.000 0.842 217 S N 2.468 118.156 115.700 -0.019 0.000 2.624 217 S HA 0.213 4.684 4.470 0.001 0.000 0.263 217 S C 1.300 175.925 174.600 0.040 0.000 1.287 217 S CA -0.623 57.596 58.200 0.032 0.000 0.990 217 S CB 0.207 63.458 63.200 0.085 0.000 0.950 217 S HN 0.294 nan 8.310 nan 0.000 0.561 218 L N -0.115 121.156 121.223 0.079 0.000 2.131 218 L HA -0.012 4.328 4.340 0.001 0.000 0.210 218 L C 2.278 179.209 176.870 0.102 0.000 1.092 218 L CA 1.321 56.203 54.840 0.069 0.000 0.759 218 L CB -0.599 41.508 42.059 0.079 0.000 0.903 218 L HN 0.762 nan 8.230 nan 0.000 0.435 219 F N 1.199 121.149 119.950 -0.000 0.000 2.134 219 F HA -0.208 4.320 4.527 0.000 0.000 0.299 219 F C 2.395 178.135 175.800 -0.101 0.000 1.097 219 F CA 1.682 59.653 58.000 -0.049 0.000 1.264 219 F CB -0.066 38.832 39.000 -0.169 0.000 1.001 219 F HN 0.030 nan 8.300 nan 0.000 0.479 220 E N 0.338 120.506 120.200 -0.052 0.000 2.077 220 E HA -0.207 4.144 4.350 0.001 0.000 0.193 220 E C 2.296 178.808 176.600 -0.147 0.000 0.989 220 E CA 1.598 57.916 56.400 -0.137 0.000 0.800 220 E CB -0.312 29.345 29.700 -0.072 0.000 0.746 220 E HN 0.451 nan 8.360 nan 0.000 0.452 221 L N 0.388 121.556 121.223 -0.091 0.000 2.093 221 L HA -0.164 4.177 4.340 0.001 0.000 0.208 221 L C 2.559 179.379 176.870 -0.084 0.000 1.085 221 L CA 0.921 55.716 54.840 -0.075 0.000 0.755 221 L CB -0.456 41.573 42.059 -0.050 0.000 0.904 221 L HN 0.153 nan 8.230 nan 0.000 0.435 222 A N 0.148 122.913 122.820 -0.092 0.000 1.877 222 A HA -0.240 4.080 4.320 0.001 0.000 0.216 222 A C 2.467 179.976 177.584 -0.126 0.000 1.186 222 A CA 1.709 53.721 52.037 -0.041 0.000 0.620 222 A CB -0.606 18.403 19.000 0.014 0.000 0.822 222 A HN 0.341 nan 8.150 nan 0.000 0.443 223 R N 0.020 120.333 120.500 -0.312 0.000 2.083 223 R HA -0.228 4.113 4.340 0.001 0.000 0.237 223 R C 2.202 178.408 176.300 -0.157 0.000 1.137 223 R CA 2.062 57.977 56.100 -0.309 0.000 0.951 223 R CB -0.402 29.638 30.300 -0.434 0.000 0.851 223 R HN 0.733 nan 8.270 nan 0.000 0.434 224 E N -0.212 119.910 120.200 -0.131 0.000 2.118 224 E HA -0.183 4.167 4.350 0.001 0.000 0.195 224 E C 1.408 177.975 176.600 -0.054 0.000 0.992 224 E CA 1.397 57.748 56.400 -0.081 0.000 0.804 224 E CB -0.131 29.525 29.700 -0.073 0.000 0.741 224 E HN 0.500 nan 8.360 nan 0.000 0.458 225 A N -0.103 122.691 122.820 -0.044 0.000 2.238 225 A HA 0.256 4.577 4.320 0.001 0.000 0.208 225 A C 1.699 179.292 177.584 0.014 0.000 1.177 225 A CA 0.866 52.894 52.037 -0.016 0.000 0.804 225 A CB -0.403 18.587 19.000 -0.017 0.000 0.823 225 A HN 0.515 nan 8.150 nan 0.000 0.482 226 G N -2.170 106.629 108.800 -0.002 0.000 2.153 226 G HA2 -0.324 3.637 3.960 0.001 0.000 0.252 226 G HA3 -0.324 3.637 3.960 0.001 0.000 0.252 226 G C -0.026 174.907 174.900 0.055 0.000 0.994 226 G CA 0.477 45.582 45.100 0.008 0.000 0.698 226 G HN 0.767 nan 8.290 nan 0.000 0.521 227 Y N 1.809 122.062 120.300 -0.078 0.000 2.327 227 Y HA 0.551 5.101 4.550 0.001 0.000 0.336 227 Y C -1.083 174.778 175.900 -0.066 0.000 1.035 227 Y CA -1.881 56.181 58.100 -0.063 0.000 1.165 227 Y CB 1.778 40.201 38.460 -0.062 0.000 1.181 227 Y HN 0.027 nan 8.280 nan 0.000 0.494 228 P HA 0.163 nan 4.420 nan 0.000 0.262 228 P C 0.729 177.766 177.300 -0.439 0.000 1.304 228 P CA 0.469 63.344 63.100 -0.374 0.000 0.859 228 P CB 0.442 31.995 31.700 -0.245 0.000 1.310 229 G N 0.202 108.473 108.800 -0.881 0.000 3.026 229 G HA2 0.129 4.090 3.960 0.001 0.000 0.208 229 G HA3 0.129 4.090 3.960 0.001 0.000 0.208 229 G C 0.299 175.195 174.900 -0.006 0.000 1.169 229 G CA 0.073 44.935 45.100 -0.397 0.000 0.788 229 G HN 0.163 nan 8.290 nan 0.000 0.533 230 V N 1.730 121.695 119.914 0.085 0.000 2.370 230 V HA 0.375 4.496 4.120 0.001 0.000 0.279 230 V C -0.042 176.231 176.094 0.298 0.000 1.029 230 V CA -0.760 61.673 62.300 0.223 0.000 0.870 230 V CB 1.658 33.673 31.823 0.321 0.000 0.984 230 V HN 0.107 nan 8.190 nan 0.000 0.451 231 I N 5.290 125.957 120.570 0.162 0.000 2.315 231 I HA 0.318 4.489 4.170 0.001 0.000 0.291 231 I C -0.830 175.351 176.117 0.105 0.000 1.006 231 I CA -0.499 60.871 61.300 0.116 0.000 1.265 231 I CB 0.908 38.903 38.000 -0.007 0.000 1.387 231 I HN 0.607 nan 8.210 nan 0.000 0.475 232 Y N 7.737 127.963 120.300 -0.123 0.000 2.331 232 Y HA 0.578 5.128 4.550 0.000 0.000 0.338 232 Y C -1.057 174.736 175.900 -0.178 0.000 0.976 232 Y CA -0.659 57.303 58.100 -0.230 0.000 1.137 232 Y CB 0.929 38.987 38.460 -0.669 0.000 1.172 232 Y HN 0.349 nan 8.280 nan 0.000 0.478 233 L N 6.662 127.480 121.223 -0.674 0.000 2.322 233 L HA 0.813 5.154 4.340 0.001 0.000 0.281 233 L C 0.315 176.613 176.870 -0.954 0.000 1.014 233 L CA -0.790 53.682 54.840 -0.614 0.000 0.815 233 L CB 1.599 43.452 42.059 -0.343 0.000 1.247 233 L HN 0.846 nan 8.230 nan 0.000 0.421 234 G N 0.699 108.807 108.800 -1.154 0.000 2.733 234 G HA2 0.666 4.626 3.960 0.001 0.000 0.288 234 G HA3 0.666 4.626 3.960 0.001 0.000 0.288 234 G C -1.670 172.391 174.900 -1.398 0.000 1.373 234 G CA -0.408 43.909 45.100 -1.306 0.000 0.895 234 G HN 0.471 nan 8.290 nan 0.000 0.479 235 S N -1.637 113.540 115.700 -0.872 0.000 2.547 235 S HA 0.555 5.026 4.470 0.001 0.000 0.270 235 S C -0.977 173.407 174.600 -0.360 0.000 1.150 235 S CA -0.546 57.308 58.200 -0.576 0.000 0.850 235 S CB 1.044 64.031 63.200 -0.356 0.000 1.118 235 S HN 0.397 nan 8.310 nan 0.000 0.461 236 F N 1.776 121.803 119.950 0.129 0.000 2.693 236 F HA 0.291 4.817 4.527 -0.001 0.000 0.303 236 F C 2.218 178.088 175.800 0.118 0.000 1.097 236 F CA 0.002 58.117 58.000 0.192 0.000 1.330 236 F CB 0.098 39.208 39.000 0.184 0.000 1.067 236 F HN 0.477 nan 8.300 nan 0.000 0.565 237 S N 0.088 115.876 115.700 0.147 0.000 2.368 237 S HA -0.124 4.347 4.470 0.001 0.000 0.224 237 S C 2.024 176.704 174.600 0.134 0.000 1.029 237 S CA 1.163 59.430 58.200 0.113 0.000 0.988 237 S CB -0.043 63.174 63.200 0.027 0.000 0.838 237 S HN 0.205 nan 8.310 nan 0.000 0.462 238 K N 1.346 121.786 120.400 0.066 0.000 2.400 238 K HA 0.146 4.467 4.320 0.001 0.000 0.194 238 K C 1.573 178.277 176.600 0.174 0.000 1.033 238 K CA 0.517 56.846 56.287 0.070 0.000 1.021 238 K CB -0.138 32.307 32.500 -0.092 0.000 0.808 238 K HN 0.526 nan 8.250 nan 0.000 0.505 239 V N -3.065 116.997 119.914 0.247 0.000 3.556 239 V HA 0.230 4.350 4.120 0.001 0.000 0.287 239 V C 1.198 177.497 176.094 0.342 0.000 1.422 239 V CA -0.114 62.373 62.300 0.311 0.000 1.038 239 V CB 0.082 32.125 31.823 0.368 0.000 0.850 239 V HN 0.082 nan 8.190 nan 0.000 0.437 240 L N -0.280 121.142 121.223 0.332 0.000 2.230 240 L HA 0.691 5.032 4.340 0.001 0.000 0.164 240 L C 0.203 177.210 176.870 0.229 0.000 1.237 240 L CA 1.284 56.287 54.840 0.272 0.000 1.030 240 L CB 0.981 43.166 42.059 0.210 0.000 2.103 240 L HN 0.327 nan 8.230 nan 0.000 0.490 241 S N 0.131 115.928 115.700 0.162 0.000 2.616 241 S HA 0.490 4.961 4.470 0.001 0.000 0.276 241 S C -2.587 172.037 174.600 0.041 0.000 1.159 241 S CA -0.456 57.743 58.200 -0.002 0.000 1.000 241 S CB 1.416 64.507 63.200 -0.182 0.000 1.117 241 S HN 0.157 nan 8.310 nan 0.000 0.464 242 P HA 0.159 nan 4.420 nan 0.000 0.221 242 P C 1.509 178.822 177.300 0.022 0.000 1.155 242 P CA 0.978 64.121 63.100 0.071 0.000 0.812 242 P CB -0.218 31.554 31.700 0.121 0.000 0.801 243 G N 0.528 109.304 108.800 -0.039 0.000 2.509 243 G HA2 -0.141 3.819 3.960 0.001 0.000 0.218 243 G HA3 -0.141 3.819 3.960 0.001 0.000 0.218 243 G C 1.569 176.442 174.900 -0.046 0.000 1.124 243 G CA 0.178 45.249 45.100 -0.049 0.000 0.776 243 G HN 0.221 nan 8.290 nan 0.000 0.547 244 L N -0.605 120.589 121.223 -0.049 0.000 2.395 244 L HA 0.106 4.447 4.340 0.001 0.000 0.218 244 L C 0.765 177.641 176.870 0.010 0.000 1.130 244 L CA -0.147 54.675 54.840 -0.030 0.000 0.826 244 L CB -0.096 41.941 42.059 -0.036 0.000 0.941 244 L HN 0.105 nan 8.230 nan 0.000 0.451 245 R N -0.038 120.480 120.500 0.031 0.000 3.152 245 R HA -0.120 4.221 4.340 0.001 0.000 0.252 245 R C -1.184 175.166 176.300 0.082 0.000 0.930 245 R CA 0.197 56.326 56.100 0.048 0.000 0.642 245 R CB -2.737 27.580 30.300 0.029 0.000 1.205 245 R HN 0.084 nan 8.270 nan 0.000 0.452 246 V N -0.039 119.958 119.914 0.139 0.000 2.483 246 V HA 0.888 5.009 4.120 0.001 0.000 0.297 246 V C 0.403 176.692 176.094 0.324 0.000 1.027 246 V CA -0.043 62.397 62.300 0.233 0.000 0.855 246 V CB 1.922 33.892 31.823 0.245 0.000 0.995 246 V HN 0.704 nan 8.190 nan 0.000 0.424 247 A N 4.634 127.597 122.820 0.238 0.000 2.593 247 A HA 1.096 5.416 4.320 0.001 0.000 0.304 247 A C -1.497 176.164 177.584 0.127 0.000 1.233 247 A CA -0.535 51.524 52.037 0.036 0.000 0.661 247 A CB 2.035 20.939 19.000 -0.159 0.000 1.338 247 A HN 1.430 nan 8.150 nan 0.000 0.495 248 F N -3.442 116.512 119.950 0.005 0.000 2.713 248 F HA 0.863 5.390 4.527 -0.000 0.000 0.311 248 F C -0.484 175.291 175.800 -0.042 0.000 1.141 248 F CA -0.820 57.195 58.000 0.025 0.000 0.939 248 F CB 1.217 40.265 39.000 0.080 0.000 1.325 248 F HN 1.176 nan 8.300 nan 0.000 0.453 249 A N 1.325 124.282 122.820 0.228 0.000 2.386 249 A HA 0.859 5.180 4.320 0.001 0.000 0.311 249 A C -1.845 175.846 177.584 0.179 0.000 1.068 249 A CA -0.944 51.164 52.037 0.118 0.000 0.743 249 A CB 1.731 20.769 19.000 0.063 0.000 1.258 249 A HN 0.930 nan 8.150 nan 0.000 0.429 250 V N 0.982 120.965 119.914 0.116 0.000 2.588 250 V HA 0.872 4.993 4.120 0.001 0.000 0.304 250 V C 0.201 176.316 176.094 0.035 0.000 1.042 250 V CA 0.342 62.660 62.300 0.032 0.000 0.877 250 V CB 1.280 33.026 31.823 -0.129 0.000 0.996 250 V HN 1.706 nan 8.190 nan 0.000 0.425 251 A N 2.567 125.456 122.820 0.116 0.000 2.586 251 A HA 0.605 4.925 4.320 0.001 0.000 0.290 251 A C -0.851 176.857 177.584 0.206 0.000 1.086 251 A CA -0.645 51.517 52.037 0.209 0.000 0.665 251 A CB 1.108 20.213 19.000 0.175 0.000 1.279 251 A HN 0.924 nan 8.150 nan 0.000 0.423 252 H N 0.752 119.897 119.070 0.126 0.000 2.972 252 H HA 0.069 4.625 4.556 0.001 0.000 0.343 252 H C -1.679 173.684 175.328 0.057 0.000 1.054 252 H CA -0.074 56.015 56.048 0.068 0.000 1.412 252 H CB 1.032 30.808 29.762 0.023 0.000 1.385 252 H HN 0.215 nan 8.280 nan 0.000 0.600 253 P HA -0.190 nan 4.420 nan 0.000 0.217 253 P C 1.298 178.653 177.300 0.092 0.000 1.151 253 P CA 1.839 64.889 63.100 -0.083 0.000 0.849 253 P CB 0.142 31.724 31.700 -0.195 0.000 0.787 254 E N -0.985 119.397 120.200 0.304 0.000 2.106 254 E HA -0.162 4.188 4.350 0.001 0.000 0.192 254 E C 1.933 178.617 176.600 0.140 0.000 0.984 254 E CA 1.099 57.626 56.400 0.213 0.000 0.806 254 E CB -0.364 29.466 29.700 0.217 0.000 0.750 254 E HN 0.112 nan 8.360 nan 0.000 0.458 255 A N 0.642 123.577 122.820 0.193 0.000 1.874 255 A HA -0.100 4.220 4.320 0.001 0.000 0.214 255 A C 2.079 179.735 177.584 0.121 0.000 1.189 255 A CA 0.729 52.861 52.037 0.159 0.000 0.615 255 A CB -0.593 18.547 19.000 0.233 0.000 0.830 255 A HN 0.315 nan 8.150 nan 0.000 0.443 256 L N -0.332 120.965 121.223 0.123 0.000 2.042 256 L HA -0.234 4.107 4.340 0.001 0.000 0.210 256 L C 2.625 179.531 176.870 0.060 0.000 1.076 256 L CA 2.500 57.393 54.840 0.089 0.000 0.749 256 L CB -0.433 41.671 42.059 0.075 0.000 0.893 256 L HN 0.541 nan 8.230 nan 0.000 0.432 257 Q N -0.397 119.432 119.800 0.049 0.000 2.096 257 Q HA -0.239 4.102 4.340 0.001 0.000 0.204 257 Q C 2.072 178.081 176.000 0.014 0.000 0.982 257 Q CA 1.814 57.634 55.803 0.029 0.000 0.850 257 Q CB -0.099 28.654 28.738 0.024 0.000 0.901 257 Q HN 0.282 nan 8.270 nan 0.000 0.422 258 K N -0.022 120.379 120.400 0.001 0.000 2.097 258 K HA -0.050 4.271 4.320 0.001 0.000 0.205 258 K C 2.101 178.691 176.600 -0.018 0.000 1.050 258 K CA 0.993 57.259 56.287 -0.035 0.000 0.938 258 K CB -0.331 32.105 32.500 -0.105 0.000 0.718 258 K HN 0.341 nan 8.250 nan 0.000 0.442 259 L N 0.515 121.747 121.223 0.015 0.000 2.083 259 L HA -0.152 4.189 4.340 0.001 0.000 0.209 259 L C 2.407 179.299 176.870 0.037 0.000 1.083 259 L CA 0.745 55.608 54.840 0.037 0.000 0.752 259 L CB -0.574 41.525 42.059 0.068 0.000 0.899 259 L HN -0.125 nan 8.230 nan 0.000 0.433 260 V N -0.645 119.291 119.914 0.037 0.000 2.358 260 V HA -0.245 3.875 4.120 0.001 0.000 0.246 260 V C 2.589 178.699 176.094 0.026 0.000 1.047 260 V CA 1.434 63.757 62.300 0.038 0.000 1.035 260 V CB -0.475 31.370 31.823 0.036 0.000 0.658 260 V HN 0.467 nan 8.190 nan 0.000 0.452 261 Q N -0.057 119.751 119.800 0.013 0.000 2.124 261 Q HA -0.153 4.188 4.340 0.001 0.000 0.202 261 Q C 2.414 178.417 176.000 0.005 0.000 0.977 261 Q CA 1.952 57.758 55.803 0.004 0.000 0.850 261 Q CB -0.621 28.112 28.738 -0.008 0.000 0.901 261 Q HN 0.659 nan 8.270 nan 0.000 0.429 262 A N 1.136 123.959 122.820 0.005 0.000 1.929 262 A HA -0.162 4.158 4.320 0.001 0.000 0.216 262 A C 2.112 179.707 177.584 0.020 0.000 1.176 262 A CA 1.532 53.574 52.037 0.008 0.000 0.628 262 A CB -0.362 18.643 19.000 0.008 0.000 0.816 262 A HN 0.282 nan 8.150 nan 0.000 0.444 263 K N -0.198 120.219 120.400 0.029 0.000 2.147 263 K HA -0.204 4.117 4.320 0.001 0.000 0.205 263 K C 2.103 178.723 176.600 0.034 0.000 1.049 263 K CA 1.463 57.772 56.287 0.037 0.000 0.936 263 K CB -0.201 32.331 32.500 0.053 0.000 0.722 263 K HN 0.649 nan 8.250 nan 0.000 0.446 264 Q N -0.587 119.230 119.800 0.028 0.000 2.029 264 Q HA -0.178 4.163 4.340 0.001 0.000 0.209 264 Q C 2.059 178.067 176.000 0.013 0.000 0.999 264 Q CA 1.788 57.605 55.803 0.022 0.000 0.857 264 Q CB -0.362 28.383 28.738 0.011 0.000 0.926 264 Q HN 0.514 nan 8.270 nan 0.000 0.415 265 G N -0.536 108.269 108.800 0.009 0.000 2.813 265 G HA2 0.109 4.069 3.960 0.001 0.000 0.209 265 G HA3 0.109 4.069 3.960 0.001 0.000 0.209 265 G C 1.208 176.113 174.900 0.008 0.000 1.150 265 G CA 0.573 45.676 45.100 0.006 0.000 0.785 265 G HN 0.370 nan 8.290 nan 0.000 0.535 266 A N 1.283 124.111 122.820 0.012 0.000 1.878 266 A HA 0.218 4.539 4.320 0.001 0.000 0.213 266 A C 1.630 179.217 177.584 0.005 0.000 1.192 266 A CA 1.880 53.925 52.037 0.012 0.000 0.619 266 A CB 0.163 19.174 19.000 0.019 0.000 0.837 266 A HN 0.396 nan 8.150 nan 0.000 0.446 267 D N -2.909 117.493 120.400 0.003 0.000 2.682 267 D HA 0.210 4.851 4.640 0.001 0.000 0.291 267 D C 0.636 176.917 176.300 -0.031 0.000 1.585 267 D CA 0.306 54.296 54.000 -0.016 0.000 0.845 267 D CB -0.985 39.798 40.800 -0.027 0.000 1.323 267 D HN 0.299 nan 8.370 nan 0.000 0.438 268 L N -0.431 120.795 121.223 0.005 0.000 3.363 268 L HA -0.318 4.022 4.340 0.001 0.000 0.346 268 L C 0.338 177.292 176.870 0.139 0.000 3.762 268 L CA 2.263 57.129 54.840 0.044 0.000 1.796 268 L CB -1.905 40.176 42.059 0.038 0.000 3.000 268 L HN 0.718 nan 8.230 nan 0.000 0.779 269 H N -2.138 116.974 119.070 0.069 0.000 3.068 269 H HA 0.370 4.926 4.556 0.001 0.000 0.342 269 H C -1.018 174.356 175.328 0.076 0.000 1.284 269 H CA -0.193 55.900 56.048 0.076 0.000 1.181 269 H CB 1.203 31.020 29.762 0.091 0.000 1.898 269 H HN -0.039 nan 8.280 nan 0.000 0.540 270 T N 3.882 118.548 114.554 0.188 0.000 2.901 270 T HA 0.160 4.511 4.350 0.001 0.000 0.301 270 T C -2.349 172.469 174.700 0.196 0.000 1.012 270 T CA -0.612 61.560 62.100 0.120 0.000 1.135 270 T CB 0.431 69.383 68.868 0.141 0.000 0.936 270 T HN 0.356 nan 8.240 nan 0.000 0.539 271 P HA -0.022 nan 4.420 nan 0.000 0.261 271 P C 0.609 177.980 177.300 0.119 0.000 1.165 271 P CA 0.091 63.244 63.100 0.087 0.000 0.759 271 P CB 0.366 32.075 31.700 0.014 0.000 0.772 272 M N 5.352 125.031 119.600 0.132 0.000 2.123 272 M HA -0.083 4.397 4.480 0.001 0.000 0.263 272 M C 1.544 177.774 176.300 -0.116 0.000 1.069 272 M CA 1.698 56.997 55.300 -0.002 0.000 1.133 272 M CB -1.257 31.322 32.600 -0.036 0.000 1.356 272 M HN 0.294 nan 8.290 nan 0.000 0.415 273 L N 0.626 121.798 121.223 -0.086 0.000 2.043 273 L HA -0.237 4.104 4.340 0.001 0.000 0.212 273 L C 1.800 178.599 176.870 -0.117 0.000 1.075 273 L CA 2.071 56.841 54.840 -0.116 0.000 0.752 273 L CB -1.205 40.806 42.059 -0.079 0.000 0.891 273 L HN 0.488 nan 8.230 nan 0.000 0.432 274 N N -0.911 117.745 118.700 -0.073 0.000 2.120 274 N HA -0.219 4.522 4.740 0.001 0.000 0.188 274 N C 1.713 177.180 175.510 -0.071 0.000 1.024 274 N CA 1.686 54.700 53.050 -0.061 0.000 0.852 274 N CB -0.182 38.293 38.487 -0.020 0.000 1.003 274 N HN 0.625 nan 8.380 nan 0.000 0.424 275 Q N 0.681 120.445 119.800 -0.060 0.000 2.079 275 Q HA -0.014 4.327 4.340 0.001 0.000 0.200 275 Q C 2.136 178.070 176.000 -0.110 0.000 0.974 275 Q CA 1.133 56.918 55.803 -0.030 0.000 0.840 275 Q CB -0.094 28.677 28.738 0.054 0.000 0.898 275 Q HN 0.410 nan 8.270 nan 0.000 0.430 276 M N 0.107 119.514 119.600 -0.321 0.000 2.159 276 M HA -0.168 4.312 4.480 0.001 0.000 0.263 276 M C 2.143 178.347 176.300 -0.160 0.000 1.063 276 M CA 0.986 56.053 55.300 -0.389 0.000 1.110 276 M CB -0.251 32.028 32.600 -0.535 0.000 1.374 276 M HN 0.202 nan 8.290 nan 0.000 0.411 277 L N 0.093 121.220 121.223 -0.159 0.000 2.027 277 L HA -0.090 4.250 4.340 0.001 0.000 0.206 277 L C 2.199 178.962 176.870 -0.179 0.000 1.074 277 L CA 1.579 56.333 54.840 -0.143 0.000 0.745 277 L CB -0.618 41.367 42.059 -0.124 0.000 0.898 277 L HN 0.012 nan 8.230 nan 0.000 0.433 278 V N -0.179 119.612 119.914 -0.204 0.000 2.332 278 V HA -0.352 3.769 4.120 0.001 0.000 0.248 278 V C 2.627 178.455 176.094 -0.443 0.000 1.055 278 V CA 2.127 64.219 62.300 -0.348 0.000 1.038 278 V CB -1.015 30.548 31.823 -0.433 0.000 0.651 278 V HN 0.677 nan 8.190 nan 0.000 0.450 279 H N -0.162 118.669 119.070 -0.399 0.000 2.353 279 H HA -0.146 4.411 4.556 0.002 0.000 0.300 279 H C 2.383 177.485 175.328 -0.377 0.000 1.090 279 H CA 1.604 57.388 56.048 -0.439 0.000 1.327 279 H CB 0.324 30.016 29.762 -0.117 0.000 1.383 279 H HN 0.390 nan 8.280 nan 0.000 0.508 280 E N 0.841 120.850 120.200 -0.318 0.000 2.110 280 E HA -0.121 4.230 4.350 0.001 0.000 0.193 280 E C 2.624 179.038 176.600 -0.310 0.000 0.988 280 E CA 0.474 56.691 56.400 -0.305 0.000 0.804 280 E CB -0.180 29.424 29.700 -0.161 0.000 0.745 280 E HN 0.538 nan 8.360 nan 0.000 0.458 281 L N 0.062 121.108 121.223 -0.295 0.000 2.217 281 L HA -0.080 4.261 4.340 0.001 0.000 0.211 281 L C 2.194 178.892 176.870 -0.287 0.000 1.107 281 L CA 0.662 55.359 54.840 -0.239 0.000 0.783 281 L CB -0.118 41.828 42.059 -0.189 0.000 0.919 281 L HN 0.069 nan 8.230 nan 0.000 0.442 282 L N -0.549 120.370 121.223 -0.506 0.000 2.616 282 L HA 0.020 4.361 4.340 0.001 0.000 0.229 282 L C 2.285 178.814 176.870 -0.568 0.000 1.110 282 L CA 0.039 54.514 54.840 -0.610 0.000 0.884 282 L CB -0.170 41.207 42.059 -1.135 0.000 1.115 282 L HN 0.253 nan 8.230 nan 0.000 0.481 283 K N 0.172 120.212 120.400 -0.601 0.000 2.280 283 K HA -0.026 4.295 4.320 0.001 0.000 0.202 283 K C 0.032 176.575 176.600 -0.095 0.000 1.047 283 K CA 0.901 56.961 56.287 -0.378 0.000 0.942 283 K CB 0.170 32.355 32.500 -0.525 0.000 0.739 283 K HN 0.174 nan 8.250 nan 0.000 0.457 284 E N -0.206 119.941 120.200 -0.089 0.000 2.272 284 E HA 0.245 4.596 4.350 0.001 0.000 0.269 284 E C -0.106 176.516 176.600 0.036 0.000 0.877 284 E CA -0.216 56.182 56.400 -0.003 0.000 0.755 284 E CB 1.831 31.517 29.700 -0.024 0.000 1.192 284 E HN 0.304 nan 8.360 nan 0.000 0.422 285 G N 2.270 111.120 108.800 0.082 0.000 2.143 285 G HA2 -0.350 3.611 3.960 0.001 0.000 0.248 285 G HA3 -0.350 3.611 3.960 0.001 0.000 0.248 285 G C 0.594 175.595 174.900 0.168 0.000 0.991 285 G CA 0.434 45.591 45.100 0.095 0.000 0.689 285 G HN 0.507 nan 8.290 nan 0.000 0.522 286 F N 2.015 121.973 119.950 0.013 0.000 2.069 286 F HA -0.054 4.475 4.527 0.004 0.000 0.298 286 F C 2.524 178.330 175.800 0.011 0.000 1.113 286 F CA 2.250 60.255 58.000 0.009 0.000 1.214 286 F CB -0.737 38.290 39.000 0.044 0.000 0.978 286 F HN 0.206 nan 8.300 nan 0.000 0.474 287 S N 0.175 115.870 115.700 -0.007 0.000 2.365 287 S HA -0.243 4.228 4.470 0.001 0.000 0.225 287 S C 1.733 176.296 174.600 -0.061 0.000 1.039 287 S CA 1.757 59.896 58.200 -0.102 0.000 1.033 287 S CB -0.392 62.807 63.200 -0.002 0.000 0.887 287 S HN 0.411 nan 8.310 nan 0.000 0.447 288 E N 0.804 121.005 120.200 0.002 0.000 2.153 288 E HA -0.091 4.259 4.350 0.001 0.000 0.194 288 E C 2.053 178.657 176.600 0.007 0.000 0.988 288 E CA 0.719 57.124 56.400 0.009 0.000 0.811 288 E CB -0.167 29.548 29.700 0.026 0.000 0.746 288 E HN 0.427 nan 8.360 nan 0.000 0.466 289 R N 0.495 121.010 120.500 0.024 0.000 2.075 289 R HA -0.052 4.289 4.340 0.001 0.000 0.232 289 R C 1.984 178.289 176.300 0.009 0.000 1.126 289 R CA 0.955 57.085 56.100 0.051 0.000 0.963 289 R CB -0.203 30.182 30.300 0.142 0.000 0.858 289 R HN 0.201 nan 8.270 nan 0.000 0.435 290 L N 0.472 121.639 121.223 -0.093 0.000 2.141 290 L HA -0.103 4.238 4.340 0.001 0.000 0.209 290 L C 2.198 179.034 176.870 -0.058 0.000 1.094 290 L CA 1.372 56.149 54.840 -0.105 0.000 0.763 290 L CB -0.357 41.552 42.059 -0.250 0.000 0.908 290 L HN 0.275 nan 8.230 nan 0.000 0.437 291 E N -0.034 120.136 120.200 -0.050 0.000 2.106 291 E HA -0.234 4.116 4.350 0.001 0.000 0.192 291 E C 2.273 178.858 176.600 -0.024 0.000 0.984 291 E CA 0.838 57.217 56.400 -0.035 0.000 0.806 291 E CB -0.019 29.673 29.700 -0.014 0.000 0.750 291 E HN 0.319 nan 8.360 nan 0.000 0.458 292 R N 0.582 121.076 120.500 -0.011 0.000 2.090 292 R HA -0.093 4.248 4.340 0.001 0.000 0.228 292 R C 2.158 178.454 176.300 -0.006 0.000 1.110 292 R CA 0.769 56.861 56.100 -0.013 0.000 0.973 292 R CB -0.074 30.224 30.300 -0.004 0.000 0.869 292 R HN 0.005 nan 8.270 nan 0.000 0.440 293 V N 1.273 121.211 119.914 0.041 0.000 2.287 293 V HA -0.262 3.858 4.120 0.001 0.000 0.248 293 V C 2.429 178.627 176.094 0.173 0.000 1.053 293 V CA 2.069 64.448 62.300 0.131 0.000 1.027 293 V CB -0.477 31.471 31.823 0.208 0.000 0.646 293 V HN 0.400 nan 8.190 nan 0.000 0.447 294 R N -0.546 120.005 120.500 0.086 0.000 2.081 294 R HA -0.185 4.156 4.340 0.001 0.000 0.235 294 R C 2.513 178.831 176.300 0.030 0.000 1.131 294 R CA 1.763 57.907 56.100 0.075 0.000 0.960 294 R CB -0.411 29.828 30.300 -0.103 0.000 0.856 294 R HN 0.453 nan 8.270 nan 0.000 0.436 295 R N 0.734 121.215 120.500 -0.032 0.000 2.081 295 R HA -0.116 4.225 4.340 0.001 0.000 0.235 295 R C 2.028 178.248 176.300 -0.133 0.000 1.131 295 R CA 1.418 57.469 56.100 -0.081 0.000 0.960 295 R CB -0.189 30.070 30.300 -0.070 0.000 0.856 295 R HN 0.037 nan 8.270 nan 0.000 0.436 296 V N 0.262 120.081 119.914 -0.158 0.000 2.295 296 V HA -0.244 3.876 4.120 0.001 0.000 0.246 296 V C 1.873 177.764 176.094 -0.339 0.000 1.049 296 V CA 1.777 63.911 62.300 -0.276 0.000 1.024 296 V CB -0.599 30.999 31.823 -0.376 0.000 0.648 296 V HN 0.374 nan 8.190 nan 0.000 0.447 297 Y N -0.279 120.014 120.300 -0.012 0.000 2.293 297 Y HA -0.135 4.416 4.550 0.001 0.000 0.291 297 Y C 2.744 178.472 175.900 -0.287 0.000 1.137 297 Y CA 1.537 59.678 58.100 0.069 0.000 1.202 297 Y CB -0.212 38.426 38.460 0.297 0.000 0.990 297 Y HN 0.036 nan 8.280 nan 0.000 0.537 298 R N 0.764 120.985 120.500 -0.464 0.000 2.073 298 R HA -0.188 4.153 4.340 0.001 0.000 0.234 298 R C 1.865 177.803 176.300 -0.603 0.000 1.134 298 R CA 1.905 57.380 56.100 -1.043 0.000 0.952 298 R CB -0.145 29.787 30.300 -0.613 0.000 0.850 298 R HN 0.463 nan 8.270 nan 0.000 0.433 299 E N 0.034 120.024 120.200 -0.351 0.000 2.110 299 E HA -0.190 4.161 4.350 0.001 0.000 0.193 299 E C 2.003 178.462 176.600 -0.235 0.000 0.988 299 E CA 1.137 57.384 56.400 -0.255 0.000 0.804 299 E CB 0.053 29.640 29.700 -0.187 0.000 0.745 299 E HN 0.316 nan 8.360 nan 0.000 0.458 300 K N 0.486 120.763 120.400 -0.204 0.000 2.103 300 K HA -0.029 4.291 4.320 0.001 0.000 0.204 300 K C 2.193 178.591 176.600 -0.338 0.000 1.052 300 K CA 0.842 57.056 56.287 -0.122 0.000 0.945 300 K CB -0.033 32.520 32.500 0.088 0.000 0.722 300 K HN 0.024 nan 8.250 nan 0.000 0.443 301 A N 1.479 123.937 122.820 -0.602 0.000 1.902 301 A HA -0.237 4.083 4.320 0.001 0.000 0.217 301 A C 2.135 179.422 177.584 -0.495 0.000 1.181 301 A CA 1.386 52.834 52.037 -0.981 0.000 0.623 301 A CB -0.510 18.065 19.000 -0.709 0.000 0.818 301 A HN 0.327 nan 8.150 nan 0.000 0.443 302 Q N -0.503 119.078 119.800 -0.365 0.000 2.096 302 Q HA -0.171 4.170 4.340 0.001 0.000 0.204 302 Q C 2.194 178.115 176.000 -0.132 0.000 0.982 302 Q CA 1.654 57.330 55.803 -0.210 0.000 0.850 302 Q CB -0.306 28.314 28.738 -0.197 0.000 0.901 302 Q HN 0.612 nan 8.270 nan 0.000 0.422 303 A N 0.521 123.253 122.820 -0.147 0.000 1.898 303 A HA -0.193 4.128 4.320 0.001 0.000 0.216 303 A C 1.988 179.552 177.584 -0.034 0.000 1.181 303 A CA 1.521 53.520 52.037 -0.064 0.000 0.620 303 A CB -0.534 18.431 19.000 -0.059 0.000 0.819 303 A HN 0.508 nan 8.150 nan 0.000 0.442 304 M N -0.148 119.376 119.600 -0.127 0.000 2.086 304 M HA -0.040 4.441 4.480 0.001 0.000 0.261 304 M C 1.833 178.046 176.300 -0.145 0.000 1.067 304 M CA 1.621 56.834 55.300 -0.146 0.000 1.116 304 M CB -0.512 31.952 32.600 -0.227 0.000 1.348 304 M HN 0.355 nan 8.290 nan 0.000 0.407 305 L N -1.429 119.722 121.223 -0.121 0.000 2.093 305 L HA -0.232 4.108 4.340 0.001 0.000 0.208 305 L C 2.757 179.630 176.870 0.005 0.000 1.085 305 L CA 1.417 56.235 54.840 -0.037 0.000 0.755 305 L CB -1.206 40.861 42.059 0.012 0.000 0.904 305 L HN 0.523 nan 8.230 nan 0.000 0.435 306 H N 0.475 119.507 119.070 -0.064 0.000 2.353 306 H HA -0.148 4.410 4.556 0.003 0.000 0.300 306 H C 2.079 177.383 175.328 -0.040 0.000 1.090 306 H CA 1.628 57.653 56.048 -0.039 0.000 1.327 306 H CB 0.398 30.132 29.762 -0.047 0.000 1.383 306 H HN 0.315 nan 8.280 nan 0.000 0.508 307 A N 1.405 124.201 122.820 -0.041 0.000 1.873 307 A HA -0.067 4.253 4.320 0.001 0.000 0.215 307 A C 2.871 180.361 177.584 -0.157 0.000 1.186 307 A CA 1.091 53.077 52.037 -0.084 0.000 0.616 307 A CB -0.830 18.167 19.000 -0.005 0.000 0.823 307 A HN 0.413 nan 8.150 nan 0.000 0.442 308 L N -0.388 120.708 121.223 -0.212 0.000 2.046 308 L HA -0.208 4.133 4.340 0.001 0.000 0.208 308 L C 2.036 178.825 176.870 -0.135 0.000 1.077 308 L CA 1.529 56.168 54.840 -0.335 0.000 0.747 308 L CB -0.764 40.827 42.059 -0.779 0.000 0.896 308 L HN 0.298 nan 8.230 nan 0.000 0.432 309 D N -0.405 119.976 120.400 -0.032 0.000 2.178 309 D HA -0.192 4.449 4.640 0.001 0.000 0.201 309 D C 2.227 178.494 176.300 -0.054 0.000 0.980 309 D CA 1.005 55.031 54.000 0.043 0.000 0.842 309 D CB -0.100 40.702 40.800 0.004 0.000 0.948 309 D HN 0.252 nan 8.370 nan 0.000 0.472 310 R N 0.408 120.817 120.500 -0.152 0.000 2.100 310 R HA -0.041 4.300 4.340 0.001 0.000 0.220 310 R C 1.294 177.548 176.300 -0.076 0.000 1.091 310 R CA 0.922 56.935 56.100 -0.145 0.000 0.986 310 R CB 0.346 30.507 30.300 -0.232 0.000 0.888 310 R HN -0.018 nan 8.270 nan 0.000 0.444 311 E N -0.113 120.044 120.200 -0.072 0.000 2.431 311 E HA 0.095 4.446 4.350 0.001 0.000 0.200 311 E C -0.136 176.446 176.600 -0.030 0.000 0.995 311 E CA 0.137 56.510 56.400 -0.045 0.000 0.915 311 E CB 1.009 30.683 29.700 -0.043 0.000 0.930 311 E HN 0.051 nan 8.360 nan 0.000 0.496 312 V N 5.417 125.316 119.914 -0.025 0.000 2.407 312 V HA 0.196 4.317 4.120 0.001 0.000 0.278 312 V C -1.991 174.136 176.094 0.056 0.000 1.037 312 V CA -1.575 60.732 62.300 0.013 0.000 0.900 312 V CB 1.206 33.037 31.823 0.014 0.000 0.983 312 V HN 0.036 nan 8.190 nan 0.000 0.459 313 P HA 0.147 nan 4.420 nan 0.000 0.272 313 P C 0.549 177.869 177.300 0.033 0.000 1.223 313 P CA -0.553 62.561 63.100 0.025 0.000 0.784 313 P CB 0.792 32.498 31.700 0.010 0.000 0.923 314 K N 1.303 121.710 120.400 0.012 0.000 2.360 314 K HA -0.185 4.136 4.320 0.001 0.000 0.201 314 K C 0.839 177.428 176.600 -0.018 0.000 1.046 314 K CA 1.483 57.764 56.287 -0.009 0.000 0.940 314 K CB -0.269 32.219 32.500 -0.020 0.000 0.748 314 K HN 0.199 nan 8.250 nan 0.000 0.465 315 E N 0.902 121.097 120.200 -0.008 0.000 2.347 315 E HA 0.006 4.357 4.350 0.001 0.000 0.196 315 E C -0.121 176.470 176.600 -0.015 0.000 1.008 315 E CA 0.442 56.834 56.400 -0.014 0.000 0.852 315 E CB 0.274 29.968 29.700 -0.010 0.000 0.783 315 E HN 0.085 nan 8.360 nan 0.000 0.505 316 V N 2.266 122.182 119.914 0.002 0.000 2.394 316 V HA 0.307 4.427 4.120 0.001 0.000 0.282 316 V C 0.159 176.270 176.094 0.028 0.000 1.031 316 V CA -0.795 61.513 62.300 0.013 0.000 0.881 316 V CB 1.459 33.300 31.823 0.029 0.000 0.982 316 V HN 0.042 nan 8.190 nan 0.000 0.451 317 R N 3.831 124.321 120.500 -0.016 0.000 2.668 317 R HA 0.693 5.033 4.340 0.001 0.000 0.279 317 R C -1.285 175.011 176.300 -0.007 0.000 0.976 317 R CA -0.521 55.515 56.100 -0.107 0.000 0.978 317 R CB 2.089 32.328 30.300 -0.101 0.000 1.133 317 R HN 0.807 nan 8.270 nan 0.000 0.484 318 Y N -3.141 117.137 120.300 -0.037 0.000 2.581 318 Y HA 0.372 4.922 4.550 0.000 0.000 0.337 318 Y C -0.060 175.863 175.900 0.038 0.000 1.108 318 Y CA -1.368 56.721 58.100 -0.018 0.000 1.033 318 Y CB 0.638 39.073 38.460 -0.042 0.000 1.318 318 Y HN 0.642 nan 8.280 nan 0.000 0.459 319 T N -0.285 114.417 114.554 0.246 0.000 2.788 319 T HA 0.574 4.925 4.350 0.001 0.000 0.287 319 T C -0.273 174.562 174.700 0.225 0.000 1.007 319 T CA -0.945 61.273 62.100 0.197 0.000 1.005 319 T CB 0.765 69.777 68.868 0.241 0.000 1.012 319 T HN 0.785 nan 8.240 nan 0.000 0.530 320 R N 1.750 122.348 120.500 0.164 0.000 2.443 320 R HA 0.324 4.665 4.340 0.001 0.000 0.287 320 R C -2.540 173.857 176.300 0.163 0.000 1.425 320 R CA -1.674 54.522 56.100 0.160 0.000 1.300 320 R CB 1.005 31.370 30.300 0.108 0.000 1.129 320 R HN 0.624 nan 8.270 nan 0.000 0.577 321 P HA 0.008 nan 4.420 nan 0.000 0.267 321 P C -0.448 176.943 177.300 0.151 0.000 1.200 321 P CA -0.071 63.135 63.100 0.177 0.000 0.772 321 P CB 1.105 32.930 31.700 0.210 0.000 0.855 322 K N 0.800 121.231 120.400 0.052 0.000 2.372 322 K HA 0.410 4.731 4.320 0.001 0.000 0.200 322 K C 0.858 176.985 176.600 -0.789 0.000 1.022 322 K CA -0.112 56.177 56.287 0.004 0.000 1.125 322 K CB 0.560 33.180 32.500 0.199 0.000 0.855 322 K HN 0.755 nan 8.250 nan 0.000 0.524 323 G N -0.772 107.061 108.800 -1.611 0.000 2.320 323 G HA2 0.421 4.381 3.960 0.001 0.000 0.296 323 G HA3 0.421 4.381 3.960 0.001 0.000 0.296 323 G C -0.407 173.471 174.900 -1.703 0.000 1.306 323 G CA -0.296 43.026 45.100 -2.963 0.000 0.836 323 G HN 0.242 nan 8.290 nan 0.000 0.517 324 G N -1.075 106.997 108.800 -1.213 0.000 2.584 324 G HA2 0.059 4.019 3.960 0.001 0.000 0.229 324 G HA3 0.059 4.019 3.960 0.001 0.000 0.229 324 G C 0.671 175.238 174.900 -0.556 0.000 1.320 324 G CA 0.796 45.516 45.100 -0.632 0.000 0.891 324 G HN 1.408 nan 8.290 nan 0.000 0.573 325 M N -0.527 118.489 119.600 -0.974 0.000 2.289 325 M HA 0.426 4.906 4.480 0.001 0.000 0.335 325 M C -0.519 174.823 176.300 -1.597 0.000 0.961 325 M CA 0.326 54.813 55.300 -1.355 0.000 1.018 325 M CB 0.796 32.551 32.600 -1.409 0.000 1.678 325 M HN 0.204 nan 8.290 nan 0.000 0.589 326 F N -0.133 119.541 119.950 -0.460 0.000 2.561 326 F HA 0.654 5.183 4.527 0.003 0.000 0.321 326 F C -0.185 175.704 175.800 0.149 0.000 1.065 326 F CA -1.413 56.480 58.000 -0.179 0.000 0.934 326 F CB 1.333 40.239 39.000 -0.156 0.000 1.215 326 F HN -0.419 nan 8.300 nan 0.000 0.471 327 V N 1.829 121.991 119.914 0.412 0.000 2.495 327 V HA 0.260 4.381 4.120 0.001 0.000 0.298 327 V C -1.147 175.142 176.094 0.325 0.000 1.031 327 V CA -0.955 61.549 62.300 0.340 0.000 0.871 327 V CB 2.083 34.043 31.823 0.229 0.000 0.988 327 V HN 0.818 nan 8.190 nan 0.000 0.432 328 W N 7.528 128.871 121.300 0.071 0.000 2.376 328 W HA 0.656 5.316 4.660 0.000 0.000 0.312 328 W C -0.915 175.632 176.519 0.046 0.000 1.060 328 W CA -0.821 56.524 57.345 0.000 0.000 1.221 328 W CB 1.669 31.107 29.460 -0.038 0.000 1.281 328 W HN 0.571 nan 8.180 nan 0.000 0.456 329 M N 5.654 125.034 119.600 -0.365 0.000 2.383 329 M HA 0.355 4.835 4.480 0.001 0.000 0.325 329 M C -1.229 174.768 176.300 -0.506 0.000 1.092 329 M CA -0.135 54.981 55.300 -0.306 0.000 0.961 329 M CB 1.889 34.351 32.600 -0.230 0.000 1.672 329 M HN 0.444 nan 8.290 nan 0.000 0.438 330 E N 5.133 125.162 120.200 -0.285 0.000 2.191 330 E HA 0.441 4.792 4.350 0.001 0.000 0.263 330 E C -1.319 175.197 176.600 -0.140 0.000 0.881 330 E CA -0.584 55.670 56.400 -0.243 0.000 0.757 330 E CB 2.164 31.770 29.700 -0.156 0.000 1.147 330 E HN 0.670 nan 8.360 nan 0.000 0.414 331 L N 3.310 124.451 121.223 -0.136 0.000 2.456 331 L HA 0.395 4.736 4.340 0.001 0.000 0.257 331 L C -2.058 174.775 176.870 -0.060 0.000 1.162 331 L CA -2.130 52.658 54.840 -0.086 0.000 0.808 331 L CB -0.006 42.006 42.059 -0.078 0.000 1.136 331 L HN 0.222 nan 8.230 nan 0.000 0.466 332 P HA -0.055 nan 4.420 nan 0.000 0.266 332 P C -0.798 176.484 177.300 -0.031 0.000 1.193 332 P CA -0.129 62.953 63.100 -0.030 0.000 0.770 332 P CB 0.368 32.055 31.700 -0.021 0.000 0.836 333 K N 2.022 122.406 120.400 -0.027 0.000 2.530 333 K HA 0.088 4.409 4.320 0.001 0.000 0.280 333 K C 1.226 177.812 176.600 -0.023 0.000 1.004 333 K CA 1.240 57.512 56.287 -0.026 0.000 1.071 333 K CB -0.788 31.700 32.500 -0.020 0.000 0.876 333 K HN 0.748 nan 8.250 nan 0.000 0.487 334 G N 3.067 111.851 108.800 -0.027 0.000 2.199 334 G HA2 -0.270 3.691 3.960 0.001 0.000 0.254 334 G HA3 -0.270 3.691 3.960 0.001 0.000 0.254 334 G C 0.073 174.965 174.900 -0.014 0.000 0.982 334 G CA 0.262 45.350 45.100 -0.020 0.000 0.632 334 G HN 0.501 nan 8.290 nan 0.000 0.529 335 L N 1.171 122.385 121.223 -0.015 0.000 2.395 335 L HA 0.585 4.926 4.340 0.001 0.000 0.269 335 L C 0.905 177.775 176.870 0.000 0.000 1.133 335 L CA -0.187 54.650 54.840 -0.005 0.000 0.812 335 L CB 1.630 43.684 42.059 -0.007 0.000 1.125 335 L HN 0.195 nan 8.230 nan 0.000 0.452 336 S N 1.002 116.715 115.700 0.022 0.000 2.422 336 S HA 0.400 4.871 4.470 0.001 0.000 0.298 336 S C 0.832 175.484 174.600 0.086 0.000 1.118 336 S CA -0.283 57.943 58.200 0.043 0.000 1.083 336 S CB 1.466 64.696 63.200 0.050 0.000 0.971 336 S HN 0.691 nan 8.310 nan 0.000 0.478 337 A N 4.856 127.732 122.820 0.094 0.000 1.969 337 A HA 0.010 4.330 4.320 0.001 0.000 0.218 337 A C 2.046 179.813 177.584 0.304 0.000 1.169 337 A CA 0.890 53.043 52.037 0.193 0.000 0.635 337 A CB -0.381 18.712 19.000 0.155 0.000 0.810 337 A HN 0.825 nan 8.150 nan 0.000 0.445 338 E N -0.201 120.107 120.200 0.181 0.000 2.072 338 E HA -0.125 4.225 4.350 0.001 0.000 0.191 338 E C 2.222 178.950 176.600 0.214 0.000 0.985 338 E CA 1.178 57.680 56.400 0.170 0.000 0.801 338 E CB -0.727 29.027 29.700 0.090 0.000 0.750 338 E HN 0.557 nan 8.360 nan 0.000 0.452 339 G N 1.585 110.479 108.800 0.157 0.000 2.418 339 G HA2 -0.250 3.711 3.960 0.001 0.000 0.217 339 G HA3 -0.250 3.711 3.960 0.001 0.000 0.217 339 G C 1.644 176.645 174.900 0.169 0.000 1.158 339 G CA 0.847 46.025 45.100 0.130 0.000 0.771 339 G HN 0.245 nan 8.290 nan 0.000 0.545 340 L N -0.399 120.964 121.223 0.233 0.000 2.083 340 L HA 0.100 4.441 4.340 0.001 0.000 0.209 340 L C 2.402 179.532 176.870 0.432 0.000 1.083 340 L CA 1.530 56.551 54.840 0.300 0.000 0.752 340 L CB -0.613 41.628 42.059 0.303 0.000 0.899 340 L HN 0.200 nan 8.230 nan 0.000 0.433 341 F N 0.532 120.640 119.950 0.264 0.000 2.095 341 F HA -0.219 4.309 4.527 0.001 0.000 0.298 341 F C 2.410 178.172 175.800 -0.063 0.000 1.104 341 F CA 1.537 59.462 58.000 -0.125 0.000 1.232 341 F CB -0.339 38.460 39.000 -0.335 0.000 0.987 341 F HN 0.089 nan 8.300 nan 0.000 0.475 342 R N 0.640 121.140 120.500 0.002 0.000 2.083 342 R HA -0.146 4.195 4.340 0.001 0.000 0.237 342 R C 2.258 178.495 176.300 -0.105 0.000 1.137 342 R CA 1.739 57.778 56.100 -0.102 0.000 0.951 342 R CB -1.301 29.004 30.300 0.008 0.000 0.851 342 R HN 0.345 nan 8.270 nan 0.000 0.434 343 R N 0.593 121.089 120.500 -0.007 0.000 2.096 343 R HA -0.009 4.332 4.340 0.001 0.000 0.235 343 R C 2.388 178.686 176.300 -0.004 0.000 1.127 343 R CA 1.382 57.487 56.100 0.009 0.000 0.968 343 R CB -0.453 29.881 30.300 0.057 0.000 0.861 343 R HN 0.280 nan 8.270 nan 0.000 0.440 344 A N 1.281 124.114 122.820 0.022 0.000 1.877 344 A HA -0.134 4.187 4.320 0.001 0.000 0.216 344 A C 2.068 179.585 177.584 -0.111 0.000 1.186 344 A CA 1.020 53.081 52.037 0.041 0.000 0.620 344 A CB -0.437 18.699 19.000 0.225 0.000 0.822 344 A HN 0.102 nan 8.150 nan 0.000 0.443 345 L N 0.242 121.281 121.223 -0.307 0.000 2.043 345 L HA -0.182 4.158 4.340 0.001 0.000 0.212 345 L C 2.496 179.269 176.870 -0.162 0.000 1.075 345 L CA 1.893 56.544 54.840 -0.316 0.000 0.752 345 L CB -1.473 40.310 42.059 -0.459 0.000 0.891 345 L HN 0.483 nan 8.230 nan 0.000 0.432 346 E N -0.171 119.958 120.200 -0.118 0.000 2.153 346 E HA -0.177 4.174 4.350 0.001 0.000 0.194 346 E C 1.636 178.209 176.600 -0.044 0.000 0.988 346 E CA 0.651 57.010 56.400 -0.068 0.000 0.811 346 E CB -0.027 29.646 29.700 -0.045 0.000 0.746 346 E HN 0.504 nan 8.360 nan 0.000 0.466 347 E N 0.541 120.721 120.200 -0.033 0.000 2.476 347 E HA 0.005 4.355 4.350 0.001 0.000 0.191 347 E C -0.329 176.261 176.600 -0.017 0.000 1.064 347 E CA -0.125 56.269 56.400 -0.010 0.000 0.866 347 E CB -0.220 29.491 29.700 0.019 0.000 0.952 347 E HN 0.196 nan 8.360 nan 0.000 0.492 348 N N -0.478 118.196 118.700 -0.043 0.000 2.815 348 N HA -0.158 4.582 4.740 0.001 0.000 0.248 348 N C -1.023 174.458 175.510 -0.049 0.000 1.110 348 N CA 0.707 53.727 53.050 -0.051 0.000 0.699 348 N CB -1.212 37.252 38.487 -0.038 0.000 1.040 348 N HN 0.089 nan 8.380 nan 0.000 0.555 349 V N -1.177 118.715 119.914 -0.037 0.000 2.971 349 V HA 0.923 5.044 4.120 0.001 0.000 0.309 349 V C -1.175 174.933 176.094 0.025 0.000 1.130 349 V CA -0.037 62.261 62.300 -0.002 0.000 0.964 349 V CB 2.098 33.977 31.823 0.093 0.000 1.029 349 V HN 0.287 nan 8.190 nan 0.000 0.427 350 A N 4.983 127.855 122.820 0.086 0.000 2.423 350 A HA 1.072 5.392 4.320 0.001 0.000 0.304 350 A C -1.110 176.728 177.584 0.424 0.000 1.104 350 A CA -0.428 51.708 52.037 0.166 0.000 0.757 350 A CB 1.666 20.749 19.000 0.140 0.000 1.313 350 A HN 1.764 nan 8.150 nan 0.000 0.423 351 F N -1.259 118.986 119.950 0.491 0.000 2.923 351 F HA 0.755 5.283 4.527 0.001 0.000 0.323 351 F C -1.305 174.639 175.800 0.240 0.000 1.189 351 F CA -1.294 56.929 58.000 0.372 0.000 0.930 351 F CB 1.125 40.318 39.000 0.322 0.000 1.414 351 F HN 0.310 nan 8.300 nan 0.000 0.496 352 V N 1.643 121.849 119.914 0.487 0.000 2.357 352 V HA 0.446 4.567 4.120 0.001 0.000 0.284 352 V C -2.439 173.895 176.094 0.401 0.000 1.018 352 V CA -1.978 60.476 62.300 0.256 0.000 0.841 352 V CB 0.988 33.035 31.823 0.372 0.000 0.991 352 V HN 0.514 nan 8.190 nan 0.000 0.437 353 P HA 0.103 nan 4.420 nan 0.000 0.268 353 P C 1.101 178.615 177.300 0.356 0.000 1.208 353 P CA 0.272 63.528 63.100 0.260 0.000 0.777 353 P CB 0.798 32.523 31.700 0.043 0.000 0.875 354 G N 2.023 111.032 108.800 0.350 0.000 2.484 354 G HA2 -0.141 3.820 3.960 0.001 0.000 0.218 354 G HA3 -0.141 3.820 3.960 0.001 0.000 0.218 354 G C 1.713 177.053 174.900 0.734 0.000 1.130 354 G CA 0.708 46.198 45.100 0.649 0.000 0.784 354 G HN 0.628 nan 8.290 nan 0.000 0.543 355 G N 1.866 110.896 108.800 0.383 0.000 2.556 355 G HA2 -0.219 3.741 3.960 0.001 0.000 0.220 355 G HA3 -0.219 3.741 3.960 0.001 0.000 0.220 355 G C 0.057 175.102 174.900 0.241 0.000 1.156 355 G CA 1.230 46.497 45.100 0.278 0.000 0.766 355 G HN 0.423 nan 8.290 nan 0.000 0.583 356 P HA -0.024 nan 4.420 nan 0.000 0.223 356 P C 0.964 178.066 177.300 -0.329 0.000 1.144 356 P CA 0.651 63.612 63.100 -0.231 0.000 0.783 356 P CB -0.138 31.294 31.700 -0.447 0.000 0.771 357 F N -3.022 116.943 119.950 0.025 0.000 2.797 357 F HA 0.173 4.701 4.527 0.001 0.000 0.302 357 F C 0.685 176.284 175.800 -0.334 0.000 1.130 357 F CA 0.117 58.009 58.000 -0.179 0.000 1.387 357 F CB -0.511 38.340 39.000 -0.249 0.000 1.107 357 F HN -0.214 nan 8.300 nan 0.000 0.577 358 F N -0.287 119.704 119.950 0.067 0.000 2.332 358 F HA 0.475 5.002 4.527 0.001 0.000 0.368 358 F C 1.165 176.896 175.800 -0.116 0.000 1.110 358 F CA -0.907 57.098 58.000 0.007 0.000 1.087 358 F CB 0.968 40.005 39.000 0.062 0.000 1.235 358 F HN -0.078 nan 8.300 nan 0.000 0.470 359 A N 2.978 125.726 122.820 -0.120 0.000 1.940 359 A HA -0.229 4.091 4.320 0.001 0.000 0.219 359 A C 1.389 178.858 177.584 -0.192 0.000 1.176 359 A CA 1.764 53.562 52.037 -0.398 0.000 0.631 359 A CB -0.514 17.952 19.000 -0.890 0.000 0.814 359 A HN 0.841 nan 8.150 nan 0.000 0.446 360 N N -1.082 117.613 118.700 -0.008 0.000 2.275 360 N HA 0.423 5.164 4.740 0.001 0.000 0.236 360 N C 0.331 175.877 175.510 0.060 0.000 1.154 360 N CA 0.231 53.312 53.050 0.052 0.000 0.866 360 N CB 0.689 39.230 38.487 0.090 0.000 1.093 360 N HN 0.667 nan 8.380 nan 0.000 0.515 361 G N -0.187 108.656 108.800 0.072 0.000 2.756 361 G HA2 0.254 4.215 3.960 0.001 0.000 0.678 361 G HA3 0.254 4.215 3.960 0.001 0.000 0.678 361 G C 0.066 174.947 174.900 -0.033 0.000 1.349 361 G CA -0.742 44.380 45.100 0.036 0.000 0.847 361 G HN 0.669 nan 8.290 nan 0.000 0.548 362 G N -1.722 106.990 108.800 -0.147 0.000 2.610 362 G HA2 0.527 4.488 3.960 0.001 0.000 0.304 362 G HA3 0.527 4.488 3.960 0.001 0.000 0.304 362 G C 1.592 176.089 174.900 -0.671 0.000 1.309 362 G CA 1.248 46.147 45.100 -0.336 0.000 0.906 362 G HN 3.167 nan 8.290 nan 0.000 0.521 363 G N -1.247 107.017 108.800 -0.893 0.000 2.179 363 G HA2 -0.154 3.806 3.960 0.001 0.000 0.257 363 G HA3 -0.154 3.806 3.960 0.001 0.000 0.257 363 G C 0.764 175.507 174.900 -0.262 0.000 1.010 363 G CA 1.441 46.001 45.100 -0.900 0.000 0.736 363 G HN 1.475 nan 8.290 nan 0.000 0.513 364 E N 0.577 120.668 120.200 -0.182 0.000 2.338 364 E HA -0.054 4.296 4.350 0.001 0.000 0.197 364 E C 2.102 178.675 176.600 -0.044 0.000 1.007 364 E CA 1.156 57.517 56.400 -0.066 0.000 0.849 364 E CB -0.067 29.601 29.700 -0.053 0.000 0.774 364 E HN 0.780 nan 8.360 nan 0.000 0.506 365 N N 0.389 119.041 118.700 -0.080 0.000 2.235 365 N HA -0.035 4.705 4.740 0.001 0.000 0.209 365 N C -0.149 175.279 175.510 -0.138 0.000 1.122 365 N CA 0.219 53.222 53.050 -0.079 0.000 0.845 365 N CB 0.144 38.586 38.487 -0.076 0.000 1.004 365 N HN 0.064 nan 8.380 nan 0.000 0.499 366 T N -0.731 113.727 114.554 -0.160 0.000 2.950 366 T HA 0.747 5.097 4.350 0.001 0.000 0.288 366 T C -0.138 174.333 174.700 -0.383 0.000 1.035 366 T CA -0.821 61.037 62.100 -0.402 0.000 1.028 366 T CB 1.908 70.484 68.868 -0.486 0.000 1.109 366 T HN 0.239 nan 8.240 nan 0.000 0.514 367 L N -1.803 119.007 121.223 -0.688 0.000 2.582 367 L HA 0.732 5.072 4.340 0.001 0.000 0.257 367 L C -0.881 175.803 176.870 -0.310 0.000 0.974 367 L CA -1.363 53.292 54.840 -0.309 0.000 0.851 367 L CB 2.188 44.091 42.059 -0.260 0.000 1.424 367 L HN 0.837 nan 8.230 nan 0.000 0.412 368 R N 1.764 122.325 120.500 0.103 0.000 2.460 368 R HA 0.849 5.190 4.340 0.001 0.000 0.303 368 R C -1.712 174.726 176.300 0.229 0.000 0.968 368 R CA -0.681 55.536 56.100 0.195 0.000 0.889 368 R CB 1.454 31.767 30.300 0.022 0.000 1.123 368 R HN 0.837 nan 8.270 nan 0.000 0.455 369 L N 2.054 123.409 121.223 0.220 0.000 2.362 369 L HA 0.389 4.729 4.340 0.001 0.000 0.275 369 L C -0.317 176.749 176.870 0.328 0.000 0.998 369 L CA -0.632 54.348 54.840 0.232 0.000 0.820 369 L CB 2.133 44.183 42.059 -0.014 0.000 1.270 369 L HN 0.536 nan 8.230 nan 0.000 0.415 370 S N 1.214 117.147 115.700 0.388 0.000 2.449 370 S HA 0.406 4.877 4.470 0.001 0.000 0.310 370 S C -0.034 174.701 174.600 0.225 0.000 1.096 370 S CA -0.541 57.800 58.200 0.236 0.000 1.095 370 S CB 0.582 63.967 63.200 0.309 0.000 1.007 370 S HN 0.501 nan 8.310 nan 0.000 0.474 371 Y N 3.012 123.424 120.300 0.187 0.000 2.524 371 Y HA 0.591 5.142 4.550 0.001 0.000 0.266 371 Y C 1.459 177.480 175.900 0.201 0.000 1.180 371 Y CA -0.114 58.113 58.100 0.212 0.000 1.244 371 Y CB -0.722 37.800 38.460 0.103 0.000 1.125 371 Y HN 0.610 nan 8.280 nan 0.000 0.524 372 A N 0.631 123.479 122.820 0.048 0.000 1.929 372 A HA -0.085 4.236 4.320 0.001 0.000 0.216 372 A C 2.057 179.757 177.584 0.193 0.000 1.176 372 A CA 2.074 54.247 52.037 0.226 0.000 0.628 372 A CB -0.935 18.129 19.000 0.108 0.000 0.816 372 A HN 0.471 nan 8.150 nan 0.000 0.444 373 T N 0.100 114.742 114.554 0.147 0.000 2.814 373 T HA 0.208 4.558 4.350 0.001 0.000 0.254 373 T C 0.847 175.575 174.700 0.047 0.000 1.037 373 T CA 0.313 62.463 62.100 0.084 0.000 1.143 373 T CB -0.382 68.539 68.868 0.089 0.000 0.866 373 T HN 0.266 nan 8.240 nan 0.000 0.431 374 L N 2.987 124.259 121.223 0.083 0.000 2.452 374 L HA 0.266 4.606 4.340 0.001 0.000 0.267 374 L C 0.511 177.407 176.870 0.044 0.000 1.188 374 L CA -0.877 53.992 54.840 0.049 0.000 0.821 374 L CB 0.162 42.257 42.059 0.060 0.000 1.102 374 L HN 0.373 nan 8.230 nan 0.000 0.470 375 D N 0.529 120.935 120.400 0.010 0.000 2.411 375 D HA 0.126 4.766 4.640 0.001 0.000 0.251 375 D C 0.856 177.168 176.300 0.019 0.000 1.201 375 D CA -0.527 53.469 54.000 -0.007 0.000 0.996 375 D CB 0.586 41.369 40.800 -0.028 0.000 1.101 375 D HN 0.307 nan 8.370 nan 0.000 0.504 376 R N -0.219 120.280 120.500 -0.002 0.000 2.117 376 R HA -0.165 4.175 4.340 0.001 0.000 0.243 376 R C 1.847 178.162 176.300 0.025 0.000 1.143 376 R CA 1.656 57.761 56.100 0.007 0.000 0.968 376 R CB -0.244 30.038 30.300 -0.031 0.000 0.863 376 R HN 0.627 nan 8.270 nan 0.000 0.444 377 E N -0.549 119.658 120.200 0.012 0.000 2.106 377 E HA -0.100 4.250 4.350 0.001 0.000 0.192 377 E C 2.099 178.719 176.600 0.035 0.000 0.984 377 E CA 1.001 57.412 56.400 0.019 0.000 0.806 377 E CB -0.120 29.582 29.700 0.004 0.000 0.750 377 E HN 0.488 nan 8.360 nan 0.000 0.458 378 G N 1.067 109.885 108.800 0.030 0.000 2.422 378 G HA2 -0.206 3.754 3.960 0.001 0.000 0.218 378 G HA3 -0.206 3.754 3.960 0.001 0.000 0.218 378 G C 1.575 176.524 174.900 0.082 0.000 1.140 378 G CA 0.339 45.453 45.100 0.022 0.000 0.775 378 G HN 0.106 nan 8.290 nan 0.000 0.545 379 I N 1.217 121.882 120.570 0.159 0.000 2.202 379 I HA -0.162 4.008 4.170 0.001 0.000 0.242 379 I C 3.286 179.567 176.117 0.274 0.000 1.091 379 I CA 0.980 62.478 61.300 0.330 0.000 1.368 379 I CB -0.177 37.967 38.000 0.240 0.000 1.058 379 I HN 0.243 nan 8.210 nan 0.000 0.410 380 A N 0.396 123.306 122.820 0.150 0.000 1.902 380 A HA -0.277 4.044 4.320 0.001 0.000 0.217 380 A C 2.202 179.856 177.584 0.116 0.000 1.181 380 A CA 2.183 54.291 52.037 0.119 0.000 0.623 380 A CB -0.560 18.492 19.000 0.087 0.000 0.818 380 A HN 0.436 nan 8.150 nan 0.000 0.443 381 E N 0.009 120.267 120.200 0.096 0.000 2.072 381 E HA -0.011 4.340 4.350 0.001 0.000 0.191 381 E C 1.983 178.642 176.600 0.098 0.000 0.985 381 E CA 1.557 57.999 56.400 0.070 0.000 0.801 381 E CB -0.859 28.860 29.700 0.033 0.000 0.750 381 E HN 0.370 nan 8.360 nan 0.000 0.452 382 G N 0.103 108.981 108.800 0.131 0.000 2.440 382 G HA2 -0.223 3.737 3.960 0.001 0.000 0.218 382 G HA3 -0.223 3.737 3.960 0.001 0.000 0.218 382 G C 1.701 176.867 174.900 0.442 0.000 1.154 382 G CA 1.062 46.254 45.100 0.153 0.000 0.767 382 G HN 0.266 nan 8.290 nan 0.000 0.552 383 V N 0.221 120.387 119.914 0.419 0.000 2.548 383 V HA -0.068 4.052 4.120 0.001 0.000 0.249 383 V C 2.770 178.929 176.094 0.108 0.000 1.055 383 V CA 1.838 64.258 62.300 0.200 0.000 1.065 383 V CB -0.374 31.470 31.823 0.035 0.000 0.681 383 V HN 0.316 nan 8.190 nan 0.000 0.462 384 R N 0.053 120.613 120.500 0.099 0.000 2.081 384 R HA -0.140 4.201 4.340 0.001 0.000 0.235 384 R C 2.544 178.881 176.300 0.062 0.000 1.131 384 R CA 1.652 57.787 56.100 0.058 0.000 0.960 384 R CB -0.181 30.149 30.300 0.050 0.000 0.856 384 R HN 0.442 nan 8.270 nan 0.000 0.436 385 R N -0.237 120.314 120.500 0.085 0.000 2.075 385 R HA -0.124 4.216 4.340 0.001 0.000 0.232 385 R C 2.257 178.615 176.300 0.097 0.000 1.126 385 R CA 1.268 57.414 56.100 0.076 0.000 0.963 385 R CB -0.470 29.871 30.300 0.069 0.000 0.858 385 R HN 0.175 nan 8.270 nan 0.000 0.435 386 L N 0.589 121.898 121.223 0.144 0.000 2.083 386 L HA -0.003 4.338 4.340 0.001 0.000 0.209 386 L C 2.127 179.033 176.870 0.059 0.000 1.083 386 L CA 1.990 56.913 54.840 0.138 0.000 0.752 386 L CB -0.858 41.298 42.059 0.162 0.000 0.899 386 L HN 0.180 nan 8.230 nan 0.000 0.433 387 G N -0.798 108.024 108.800 0.036 0.000 2.440 387 G HA2 -0.256 3.705 3.960 0.001 0.000 0.218 387 G HA3 -0.256 3.705 3.960 0.001 0.000 0.218 387 G C 1.759 176.670 174.900 0.019 0.000 1.154 387 G CA 0.722 45.828 45.100 0.009 0.000 0.767 387 G HN 0.369 nan 8.290 nan 0.000 0.552 388 R N 0.374 120.892 120.500 0.029 0.000 2.081 388 R HA 0.005 4.346 4.340 0.001 0.000 0.235 388 R C 3.047 179.366 176.300 0.032 0.000 1.131 388 R CA 1.151 57.267 56.100 0.026 0.000 0.960 388 R CB -0.396 29.920 30.300 0.026 0.000 0.856 388 R HN 0.362 nan 8.270 nan 0.000 0.436 389 A N 1.252 124.101 122.820 0.048 0.000 1.902 389 A HA -0.125 4.196 4.320 0.001 0.000 0.217 389 A C 2.207 179.821 177.584 0.050 0.000 1.181 389 A CA 1.088 53.162 52.037 0.060 0.000 0.623 389 A CB -0.512 18.551 19.000 0.104 0.000 0.818 389 A HN 0.169 nan 8.150 nan 0.000 0.443 390 L N -0.783 120.460 121.223 0.034 0.000 2.017 390 L HA -0.221 4.119 4.340 0.001 0.000 0.208 390 L C 2.627 179.505 176.870 0.012 0.000 1.073 390 L CA 1.840 56.687 54.840 0.012 0.000 0.745 390 L CB -0.426 41.625 42.059 -0.013 0.000 0.894 390 L HN 0.353 nan 8.230 nan 0.000 0.432 391 K N -0.194 120.213 120.400 0.012 0.000 2.063 391 K HA -0.143 4.178 4.320 0.001 0.000 0.208 391 K C 2.104 178.712 176.600 0.013 0.000 1.048 391 K CA 1.324 57.617 56.287 0.010 0.000 0.928 391 K CB -0.492 32.013 32.500 0.009 0.000 0.713 391 K HN 0.416 nan 8.250 nan 0.000 0.442 392 G N 1.416 110.227 108.800 0.018 0.000 2.418 392 G HA2 -0.249 3.711 3.960 0.001 0.000 0.217 392 G HA3 -0.249 3.711 3.960 0.001 0.000 0.217 392 G C 1.445 176.357 174.900 0.020 0.000 1.158 392 G CA 0.539 45.650 45.100 0.019 0.000 0.771 392 G HN 0.158 nan 8.290 nan 0.000 0.545 393 L N 0.326 121.565 121.223 0.026 0.000 2.017 393 L HA 0.085 4.426 4.340 0.001 0.000 0.208 393 L C 2.735 179.615 176.870 0.016 0.000 1.073 393 L CA 1.397 56.253 54.840 0.027 0.000 0.745 393 L CB -0.312 41.767 42.059 0.034 0.000 0.894 393 L HN 0.203 nan 8.230 nan 0.000 0.432 394 L N -0.748 120.481 121.223 0.011 0.000 2.093 394 L HA -0.131 4.210 4.340 0.001 0.000 0.208 394 L C 2.604 179.477 176.870 0.006 0.000 1.085 394 L CA 0.998 55.841 54.840 0.006 0.000 0.755 394 L CB -0.874 41.187 42.059 0.002 0.000 0.904 394 L HN 0.355 nan 8.230 nan 0.000 0.435 395 A N -0.236 122.588 122.820 0.007 0.000 2.067 395 A HA -0.158 4.163 4.320 0.001 0.000 0.219 395 A C 2.158 179.747 177.584 0.007 0.000 1.158 395 A CA 1.071 53.112 52.037 0.007 0.000 0.661 395 A CB -0.438 18.567 19.000 0.007 0.000 0.801 395 A HN 0.328 nan 8.150 nan 0.000 0.452 396 L N -0.259 120.969 121.223 0.009 0.000 2.291 396 L HA 0.063 4.404 4.340 0.001 0.000 0.214 396 L C 1.149 178.024 176.870 0.007 0.000 1.120 396 L CA 0.772 55.618 54.840 0.009 0.000 0.799 396 L CB -0.453 41.614 42.059 0.013 0.000 0.925 396 L HN 0.144 nan 8.230 nan 0.000 0.446 397 V N 0.000 119.918 119.914 0.006 0.000 2.409 397 V HA 0.000 4.121 4.120 0.001 0.000 0.244 397 V CA 0.000 62.302 62.300 0.004 0.000 1.235 397 V CB 0.000 31.824 31.823 0.002 0.000 1.184 397 V HN 0.000 nan 8.190 nan 0.000 0.556