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 2qdd_1_A DATA FIRST_RESID 0 DATA SEQUENCE SLRITRLTVF HLDLPLAKPY WLSGXXLKFD RLDSTYLRID TDEGVTGWGE DATA SEQUENCE GCPWGHSYLP AHGPGLRAGI ATLAPHLLGL DPRSLDHVNR VMDLQLPGHS DATA SEQUENCE YVKSPIDMAC WDILGQVAGL PLWQLLGGEA ATPVPINSSI STGTPDQMLG DATA SEQUENCE LIAEAAAQGY RTHSAKIGGS DPAQDIARIE AISAGLPDGH RVTFDVNRAW DATA SEQUENCE TPAIAVEVLN SVRARDWIEQ PCQTLDQCAH VARRVANPIM LDECLHEFSD DATA SEQUENCE HLAAWSRGAC EGVKIKPNRV GGLTRARQIR DFGVSVGWQM HIEDVGGTAL DATA SEQUENCE ADTAALHLAA STPEANRLAS WLGHAHLADD PIPGQGARNR DGLATPPSAP DATA SEQUENCE GLGVIPDPEA LGRPVASYDE 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.584 174.600 -0.026 0.000 1.055 0 S CA 0.000 58.183 58.200 -0.029 0.000 1.107 0 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 1 L N 2.722 123.927 121.223 -0.030 0.000 2.456 1 L HA 0.506 4.846 4.340 0.000 0.000 0.272 1 L C 0.137 176.992 176.870 -0.026 0.000 1.189 1 L CA 0.348 55.172 54.840 -0.028 0.000 0.846 1 L CB 0.887 42.926 42.059 -0.034 0.000 1.111 1 L HN 0.420 nan 8.230 nan 0.000 0.475 2 R N 3.957 124.444 120.500 -0.022 0.000 2.515 2 R HA 0.391 4.731 4.340 0.000 0.000 0.278 2 R C -1.036 175.253 176.300 -0.019 0.000 1.107 2 R CA -0.701 55.389 56.100 -0.018 0.000 0.945 2 R CB 1.551 31.842 30.300 -0.016 0.000 1.219 2 R HN 0.548 nan 8.270 nan 0.000 0.434 3 I N 2.708 123.267 120.570 -0.018 0.000 2.618 3 I HA -0.004 4.166 4.170 0.000 0.000 0.284 3 I C 0.943 177.048 176.117 -0.018 0.000 1.146 3 I CA 0.648 61.935 61.300 -0.022 0.000 1.425 3 I CB 1.521 39.507 38.000 -0.023 0.000 1.383 3 I HN 0.737 nan 8.210 nan 0.000 0.562 4 T N 5.026 119.568 114.554 -0.019 0.000 2.989 4 T HA 0.194 4.544 4.350 0.000 0.000 0.250 4 T C 0.333 175.026 174.700 -0.010 0.000 0.981 4 T CA 0.070 62.161 62.100 -0.015 0.000 0.980 4 T CB 0.393 69.252 68.868 -0.014 0.000 1.133 4 T HN 0.526 nan 8.240 nan 0.000 0.489 5 R N 0.695 121.187 120.500 -0.015 0.000 2.566 5 R HA 0.556 4.896 4.340 0.000 0.000 0.271 5 R C -2.176 174.118 176.300 -0.011 0.000 1.071 5 R CA -0.512 55.584 56.100 -0.007 0.000 0.915 5 R CB 1.182 31.472 30.300 -0.017 0.000 1.228 5 R HN 0.123 nan 8.270 nan 0.000 0.449 6 L N 2.968 124.212 121.223 0.034 0.000 2.333 6 L HA 0.565 4.905 4.340 0.000 0.000 0.280 6 L C -0.626 176.278 176.870 0.058 0.000 1.004 6 L CA -0.770 54.095 54.840 0.041 0.000 0.820 6 L CB 2.281 44.383 42.059 0.072 0.000 1.247 6 L HN 0.611 nan 8.230 nan 0.000 0.416 7 T N 2.159 116.698 114.554 -0.025 0.000 2.824 7 T HA 0.551 4.901 4.350 0.000 0.000 0.282 7 T C -0.292 174.349 174.700 -0.098 0.000 0.993 7 T CA -0.502 61.529 62.100 -0.114 0.000 0.967 7 T CB 2.251 71.031 68.868 -0.146 0.000 0.960 7 T HN 0.167 nan 8.240 nan 0.000 0.441 8 V N 4.065 123.869 119.914 -0.184 0.000 2.459 8 V HA 0.615 4.736 4.120 0.000 0.000 0.295 8 V C -0.872 175.092 176.094 -0.217 0.000 1.029 8 V CA -0.762 61.523 62.300 -0.025 0.000 0.874 8 V CB 0.854 32.721 31.823 0.075 0.000 0.985 8 V HN 0.787 nan 8.190 nan 0.000 0.438 9 F N 2.636 122.715 119.950 0.214 0.000 2.538 9 F HA 0.559 5.086 4.527 0.000 0.000 0.325 9 F C 0.140 176.071 175.800 0.218 0.000 1.066 9 F CA -0.627 57.493 58.000 0.200 0.000 0.946 9 F CB 1.637 40.773 39.000 0.226 0.000 1.199 9 F HN 0.522 nan 8.300 nan 0.000 0.473 10 H N 2.790 122.003 119.070 0.237 0.000 2.529 10 H HA 0.623 5.180 4.556 0.000 0.000 0.348 10 H C -2.023 173.349 175.328 0.074 0.000 1.079 10 H CA -0.851 55.281 56.048 0.139 0.000 1.198 10 H CB 1.655 31.471 29.762 0.091 0.000 1.521 10 H HN 0.555 nan 8.280 nan 0.000 0.514 11 L N 4.860 125.831 121.223 -0.421 0.000 2.356 11 L HA 0.193 4.534 4.340 0.000 0.000 0.277 11 L C -0.016 176.576 176.870 -0.464 0.000 0.996 11 L CA -0.455 54.136 54.840 -0.415 0.000 0.822 11 L CB 1.750 43.634 42.059 -0.292 0.000 1.256 11 L HN 0.641 nan 8.230 nan 0.000 0.413 12 D N 4.270 124.432 120.400 -0.397 0.000 2.396 12 D HA 0.346 4.987 4.640 0.000 0.000 0.225 12 D C -1.037 175.168 176.300 -0.157 0.000 1.121 12 D CA -0.178 53.686 54.000 -0.227 0.000 0.853 12 D CB 0.851 41.553 40.800 -0.164 0.000 1.043 12 D HN 0.370 nan 8.370 nan 0.000 0.500 13 L N 6.582 127.726 121.223 -0.132 0.000 2.324 13 L HA 0.344 4.685 4.340 0.000 0.000 0.274 13 L C -2.113 174.671 176.870 -0.142 0.000 1.012 13 L CA -1.793 52.979 54.840 -0.115 0.000 0.859 13 L CB 1.804 43.819 42.059 -0.074 0.000 1.224 13 L HN 0.137 nan 8.230 nan 0.000 0.429 14 P HA 0.128 nan 4.420 nan 0.000 0.271 14 P C -0.510 176.705 177.300 -0.141 0.000 1.216 14 P CA -0.138 62.869 63.100 -0.154 0.000 0.776 14 P CB 1.035 32.668 31.700 -0.112 0.000 0.881 15 L N 2.137 123.243 121.223 -0.196 0.000 2.395 15 L HA 0.278 4.618 4.340 0.000 0.000 0.269 15 L C 1.961 178.794 176.870 -0.062 0.000 1.133 15 L CA -0.530 54.237 54.840 -0.122 0.000 0.812 15 L CB 0.441 42.381 42.059 -0.199 0.000 1.125 15 L HN 0.384 nan 8.230 nan 0.000 0.452 16 A N 2.539 125.364 122.820 0.009 0.000 1.898 16 A HA -0.035 4.285 4.320 0.000 0.000 0.216 16 A C 0.786 178.383 177.584 0.021 0.000 1.181 16 A CA 1.251 53.297 52.037 0.015 0.000 0.620 16 A CB -0.063 18.953 19.000 0.026 0.000 0.819 16 A HN 0.585 nan 8.150 nan 0.000 0.442 17 K N 0.885 121.320 120.400 0.059 0.000 2.473 17 K HA 0.397 4.717 4.320 0.000 0.000 0.246 17 K C -3.033 173.557 176.600 -0.018 0.000 1.011 17 K CA -1.958 54.358 56.287 0.049 0.000 0.984 17 K CB 1.026 33.604 32.500 0.130 0.000 1.250 17 K HN 0.136 nan 8.250 nan 0.000 0.454 18 P HA 0.064 nan 4.420 nan 0.000 0.269 18 P C -0.931 176.007 177.300 -0.602 0.000 1.209 18 P CA 0.038 62.896 63.100 -0.403 0.000 0.776 18 P CB 0.178 31.643 31.700 -0.391 0.000 0.876 19 Y N -1.127 118.819 120.300 -0.590 0.000 2.576 19 Y HA 0.689 5.240 4.550 0.000 0.000 0.346 19 Y C -1.212 174.400 175.900 -0.481 0.000 1.018 19 Y CA -1.348 56.294 58.100 -0.764 0.000 1.050 19 Y CB 1.323 39.631 38.460 -0.253 0.000 1.280 19 Y HN 0.331 nan 8.280 nan 0.000 0.474 20 W N 4.425 125.887 121.300 0.269 0.000 2.282 20 W HA 0.532 5.192 4.660 0.000 0.000 0.322 20 W C -1.224 175.394 176.519 0.164 0.000 1.011 20 W CA -0.979 56.459 57.345 0.154 0.000 1.392 20 W CB 1.160 30.684 29.460 0.107 0.000 1.215 20 W HN 0.454 nan 8.180 nan 0.000 0.394 21 L N 2.308 123.702 121.223 0.285 0.000 2.453 21 L HA 0.088 4.429 4.340 0.000 0.000 0.261 21 L C 1.799 178.771 176.870 0.170 0.000 1.179 21 L CA 0.014 54.978 54.840 0.207 0.000 0.813 21 L CB 0.800 42.932 42.059 0.122 0.000 1.110 21 L HN 0.393 nan 8.230 nan 0.000 0.466 22 S N -0.365 115.411 115.700 0.127 0.000 2.428 22 S HA 0.013 4.483 4.470 0.000 0.000 0.230 22 S C 0.896 175.544 174.600 0.080 0.000 1.014 22 S CA 0.221 58.479 58.200 0.098 0.000 0.957 22 S CB -0.412 62.834 63.200 0.076 0.000 0.784 22 S HN 0.769 nan 8.310 nan 0.000 0.499 27 K N 3.829 124.293 120.400 0.106 0.000 2.292 27 K HA 0.357 4.677 4.320 0.000 0.000 0.270 27 K C -0.843 175.721 176.600 -0.060 0.000 1.062 27 K CA -0.432 55.891 56.287 0.060 0.000 0.916 27 K CB 0.654 33.217 32.500 0.106 0.000 1.166 27 K HN 0.413 nan 8.250 nan 0.000 0.458 28 F N 4.516 124.255 119.950 -0.351 0.000 2.462 28 F HA 0.060 4.587 4.527 0.000 0.000 0.360 28 F C 0.393 175.868 175.800 -0.542 0.000 1.134 28 F CA 0.334 58.033 58.000 -0.501 0.000 1.148 28 F CB 0.707 39.255 39.000 -0.754 0.000 1.147 28 F HN 0.742 nan 8.300 nan 0.000 0.550 29 D N 3.514 123.414 120.400 -0.835 0.000 2.482 29 D HA 0.138 4.778 4.640 0.000 0.000 0.251 29 D C -0.230 175.704 176.300 -0.610 0.000 1.073 29 D CA 0.368 54.035 54.000 -0.556 0.000 0.892 29 D CB 0.501 41.118 40.800 -0.304 0.000 1.202 29 D HN 0.574 nan 8.370 nan 0.000 0.496 30 R N -0.502 119.533 120.500 -0.776 0.000 2.716 30 R HA 0.461 4.801 4.340 0.000 0.000 0.271 30 R C -1.596 174.370 176.300 -0.556 0.000 1.028 30 R CA -0.771 55.010 56.100 -0.532 0.000 0.883 30 R CB 0.717 30.844 30.300 -0.288 0.000 1.250 30 R HN -0.102 nan 8.270 nan 0.000 0.465 31 L N 0.802 121.825 121.223 -0.332 0.000 2.334 31 L HA 0.371 4.711 4.340 0.000 0.000 0.276 31 L C -0.619 176.232 176.870 -0.031 0.000 1.014 31 L CA -1.011 53.716 54.840 -0.188 0.000 0.815 31 L CB 1.929 43.902 42.059 -0.144 0.000 1.268 31 L HN 0.640 nan 8.230 nan 0.000 0.428 32 D N 2.128 122.573 120.400 0.075 0.000 2.456 32 D HA 0.121 4.761 4.640 0.000 0.000 0.219 32 D C -0.517 175.913 176.300 0.215 0.000 1.126 32 D CA 0.167 54.282 54.000 0.191 0.000 0.890 32 D CB 1.235 42.168 40.800 0.221 0.000 1.025 32 D HN 0.328 nan 8.370 nan 0.000 0.511 33 S N 2.457 118.269 115.700 0.187 0.000 2.541 33 S HA 0.517 4.987 4.470 0.000 0.000 0.283 33 S C -0.382 174.396 174.600 0.297 0.000 1.196 33 S CA -0.436 57.903 58.200 0.231 0.000 1.062 33 S CB 0.897 64.211 63.200 0.190 0.000 1.009 33 S HN 0.365 nan 8.310 nan 0.000 0.502 34 T N 4.725 119.488 114.554 0.348 0.000 2.770 34 T HA 0.371 4.722 4.350 0.000 0.000 0.283 34 T C -1.087 173.931 174.700 0.529 0.000 0.988 34 T CA -0.136 62.195 62.100 0.384 0.000 0.957 34 T CB 0.288 69.334 68.868 0.297 0.000 0.930 34 T HN 0.586 nan 8.240 nan 0.000 0.443 35 Y N 2.378 122.868 120.300 0.316 0.000 2.323 35 Y HA 0.571 5.121 4.550 0.000 0.000 0.331 35 Y C -0.064 176.103 175.900 0.446 0.000 1.092 35 Y CA -1.261 57.075 58.100 0.395 0.000 1.150 35 Y CB 1.266 39.982 38.460 0.426 0.000 1.200 35 Y HN 0.393 nan 8.280 nan 0.000 0.472 36 L N 5.180 126.661 121.223 0.429 0.000 2.362 36 L HA 0.526 4.867 4.340 0.000 0.000 0.275 36 L C -0.959 175.891 176.870 -0.034 0.000 0.998 36 L CA -0.698 54.279 54.840 0.227 0.000 0.820 36 L CB 1.560 43.697 42.059 0.130 0.000 1.270 36 L HN 0.629 nan 8.230 nan 0.000 0.415 37 R N 5.816 126.149 120.500 -0.278 0.000 2.387 37 R HA 0.630 4.970 4.340 0.000 0.000 0.314 37 R C -1.468 174.603 176.300 -0.382 0.000 0.958 37 R CA -0.555 55.057 56.100 -0.812 0.000 0.846 37 R CB 0.910 30.538 30.300 -1.121 0.000 1.147 37 R HN 0.771 nan 8.270 nan 0.000 0.447 38 I N 4.490 124.855 120.570 -0.341 0.000 2.330 38 I HA 0.232 4.402 4.170 0.000 0.000 0.289 38 I C -0.458 175.566 176.117 -0.155 0.000 1.001 38 I CA -0.742 60.454 61.300 -0.174 0.000 1.193 38 I CB 1.657 39.594 38.000 -0.105 0.000 1.345 38 I HN 0.502 nan 8.210 nan 0.000 0.461 39 D N 4.742 125.078 120.400 -0.105 0.000 2.193 39 D HA 0.414 5.054 4.640 0.000 0.000 0.249 39 D C 0.179 176.454 176.300 -0.042 0.000 1.034 39 D CA 0.026 53.987 54.000 -0.066 0.000 0.902 39 D CB 2.342 43.115 40.800 -0.045 0.000 1.182 39 D HN 0.535 nan 8.370 nan 0.000 0.436 40 T N -2.480 112.056 114.554 -0.030 0.000 2.927 40 T HA 0.215 4.565 4.350 0.000 0.000 0.286 40 T C 0.902 175.593 174.700 -0.015 0.000 1.040 40 T CA -0.761 61.325 62.100 -0.023 0.000 1.010 40 T CB 1.560 70.414 68.868 -0.023 0.000 1.177 40 T HN 0.284 nan 8.240 nan 0.000 0.546 41 D N -0.494 119.898 120.400 -0.014 0.000 2.312 41 D HA -0.087 4.553 4.640 0.000 0.000 0.211 41 D C 0.965 177.261 176.300 -0.008 0.000 0.964 41 D CA 0.754 54.748 54.000 -0.011 0.000 0.877 41 D CB -0.075 40.718 40.800 -0.012 0.000 0.924 41 D HN 0.776 nan 8.370 nan 0.000 0.515 42 E N -0.750 119.445 120.200 -0.009 0.000 2.501 42 E HA 0.330 4.680 4.350 0.000 0.000 0.200 42 E C 0.917 177.516 176.600 -0.001 0.000 1.016 42 E CA 0.218 56.615 56.400 -0.006 0.000 0.921 42 E CB 0.469 30.163 29.700 -0.009 0.000 1.034 42 E HN 0.361 nan 8.360 nan 0.000 0.468 43 G N 1.176 109.977 108.800 0.002 0.000 2.162 43 G HA2 -0.281 3.679 3.960 0.000 0.000 0.260 43 G HA3 -0.281 3.679 3.960 0.000 0.000 0.260 43 G C 0.231 175.140 174.900 0.016 0.000 0.976 43 G CA 0.419 45.525 45.100 0.010 0.000 0.655 43 G HN 0.326 nan 8.290 nan 0.000 0.533 44 V N 1.199 121.117 119.914 0.008 0.000 2.461 44 V HA 0.740 4.860 4.120 0.000 0.000 0.275 44 V C 0.200 176.297 176.094 0.006 0.000 1.047 44 V CA 0.754 63.061 62.300 0.013 0.000 0.955 44 V CB 1.460 33.286 31.823 0.005 0.000 0.988 44 V HN 0.327 nan 8.190 nan 0.000 0.471 45 T N 5.756 120.325 114.554 0.025 0.000 2.824 45 T HA 0.715 5.065 4.350 0.000 0.000 0.282 45 T C 0.020 174.734 174.700 0.022 0.000 0.993 45 T CA 0.003 62.101 62.100 -0.002 0.000 0.967 45 T CB 1.404 70.291 68.868 0.033 0.000 0.960 45 T HN 1.068 nan 8.240 nan 0.000 0.441 46 G N 1.460 110.222 108.800 -0.063 0.000 2.453 46 G HA2 0.644 4.604 3.960 0.000 0.000 0.323 46 G HA3 0.644 4.604 3.960 0.000 0.000 0.323 46 G C -1.802 173.021 174.900 -0.127 0.000 1.198 46 G CA -0.730 44.374 45.100 0.006 0.000 0.959 46 G HN 0.612 nan 8.290 nan 0.000 0.482 47 W N 0.088 121.397 121.300 0.014 0.000 2.632 47 W HA 0.654 5.315 4.660 0.000 0.000 0.328 47 W C 0.354 176.848 176.519 -0.042 0.000 1.044 47 W CA -0.405 56.929 57.345 -0.019 0.000 1.225 47 W CB 2.746 32.162 29.460 -0.073 0.000 1.396 47 W HN 0.787 nan 8.180 nan 0.000 0.499 48 G N 1.127 110.026 108.800 0.164 0.000 2.533 48 G HA2 0.608 4.569 3.960 0.000 0.000 0.304 48 G HA3 0.608 4.569 3.960 0.000 0.000 0.304 48 G C -1.884 173.035 174.900 0.031 0.000 1.263 48 G CA -0.714 44.440 45.100 0.090 0.000 0.964 48 G HN 0.381 nan 8.290 nan 0.000 0.479 49 E N 0.013 120.224 120.200 0.017 0.000 2.234 49 E HA 0.587 4.938 4.350 0.000 0.000 0.266 49 E C -0.456 176.245 176.600 0.168 0.000 0.877 49 E CA -0.977 55.464 56.400 0.067 0.000 0.758 49 E CB 1.749 31.444 29.700 -0.008 0.000 1.170 49 E HN 0.635 nan 8.360 nan 0.000 0.415 50 G N 2.578 111.516 108.800 0.230 0.000 2.533 50 G HA2 0.398 4.359 3.960 0.000 0.000 0.310 50 G HA3 0.398 4.359 3.960 0.000 0.000 0.310 50 G C -1.258 173.814 174.900 0.286 0.000 1.266 50 G CA -0.443 44.808 45.100 0.252 0.000 0.967 50 G HN 0.506 nan 8.290 nan 0.000 0.493 51 C N 5.551 125.025 119.300 0.289 0.000 2.653 51 C HA 0.578 5.039 4.460 0.000 0.000 0.291 51 C C -2.439 172.742 174.990 0.318 0.000 1.064 51 C CA -2.013 57.180 59.018 0.291 0.000 1.469 51 C CB 0.275 28.182 27.740 0.279 0.000 1.861 51 C HN 0.545 nan 8.230 nan 0.000 0.434 52 P HA 0.013 nan 4.420 nan 0.000 0.269 52 P C -0.191 177.324 177.300 0.358 0.000 1.209 52 P CA 0.080 63.377 63.100 0.328 0.000 0.776 52 P CB 0.418 32.275 31.700 0.261 0.000 0.876 53 W N 5.053 126.466 121.300 0.188 0.000 1.828 53 W HA 0.282 4.942 4.660 0.000 0.000 0.470 53 W C 0.545 177.149 176.519 0.141 0.000 0.786 53 W CA 1.069 58.488 57.345 0.124 0.000 1.816 53 W CB -0.761 28.580 29.460 -0.197 0.000 1.798 53 W HN 0.737 nan 8.180 nan 0.000 0.252 54 G N 3.255 112.115 108.800 0.101 0.000 2.601 54 G HA2 -0.400 3.561 3.960 0.000 0.000 0.252 54 G HA3 -0.400 3.561 3.960 0.000 0.000 0.252 54 G C 0.056 175.012 174.900 0.093 0.000 1.294 54 G CA 0.720 45.865 45.100 0.076 0.000 0.912 54 G HN 0.863 nan 8.290 nan 0.000 0.574 55 H N -2.728 116.398 119.070 0.095 0.000 2.784 55 H HA 0.696 5.252 4.556 0.000 0.000 0.273 55 H C 1.806 177.142 175.328 0.014 0.000 1.112 55 H CA 0.877 56.968 56.048 0.072 0.000 1.162 55 H CB 0.547 30.358 29.762 0.081 0.000 1.586 55 H HN 0.338 nan 8.280 nan 0.000 0.548 56 S N -0.649 115.001 115.700 -0.084 0.000 2.520 56 S HA 0.026 4.497 4.470 0.000 0.000 0.219 56 S C 1.035 175.660 174.600 0.042 0.000 1.028 56 S CA -0.284 57.898 58.200 -0.030 0.000 0.921 56 S CB -0.108 63.015 63.200 -0.127 0.000 0.844 56 S HN 0.460 nan 8.310 nan 0.000 0.495 57 Y N 2.057 122.338 120.300 -0.033 0.000 2.184 57 Y HA 0.329 4.879 4.550 0.000 0.000 0.290 57 Y C 0.475 176.381 175.900 0.010 0.000 1.129 57 Y CA 1.041 59.148 58.100 0.011 0.000 1.144 57 Y CB 0.133 38.663 38.460 0.117 0.000 0.995 57 Y HN 0.078 nan 8.280 nan 0.000 0.513 58 L N -0.502 120.684 121.223 -0.060 0.000 2.341 58 L HA 0.385 4.725 4.340 0.000 0.000 0.254 58 L C -2.359 174.468 176.870 -0.071 0.000 1.040 58 L CA -2.400 52.368 54.840 -0.121 0.000 0.837 58 L CB 2.123 44.144 42.059 -0.063 0.000 1.425 58 L HN -0.190 nan 8.230 nan 0.000 0.414 59 P HA 0.183 nan 4.420 nan 0.000 0.252 59 P C -1.244 175.858 177.300 -0.330 0.000 1.635 59 P CA 0.301 63.303 63.100 -0.163 0.000 1.206 59 P CB -0.030 31.566 31.700 -0.173 0.000 1.911 60 A N 2.417 124.989 122.820 -0.413 0.000 2.565 60 A HA 0.647 4.967 4.320 0.000 0.000 0.298 60 A C -1.317 176.143 177.584 -0.207 0.000 1.062 60 A CA -0.735 50.804 52.037 -0.829 0.000 0.723 60 A CB 0.878 19.640 19.000 -0.397 0.000 1.282 60 A HN 0.627 nan 8.150 nan 0.000 0.400 61 H N -0.787 118.079 119.070 -0.340 0.000 3.079 61 H HA 0.635 5.191 4.556 0.000 0.000 0.356 61 H C 0.797 176.247 175.328 0.204 0.000 1.221 61 H CA -0.557 55.520 56.048 0.049 0.000 1.185 61 H CB 1.258 31.065 29.762 0.075 0.000 1.882 61 H HN 0.931 nan 8.280 nan 0.000 0.543 62 G N 1.473 110.373 108.800 0.166 0.000 2.599 62 G HA2 -0.238 3.723 3.960 0.000 0.000 0.219 62 G HA3 -0.238 3.723 3.960 0.000 0.000 0.219 62 G C -0.932 173.945 174.900 -0.037 0.000 1.193 62 G CA 1.309 46.474 45.100 0.108 0.000 0.778 62 G HN 0.545 nan 8.290 nan 0.000 0.589 63 P HA -0.008 nan 4.420 nan 0.000 0.218 63 P C 2.042 179.175 177.300 -0.278 0.000 1.149 63 P CA 1.676 64.670 63.100 -0.177 0.000 0.817 63 P CB -0.448 31.196 31.700 -0.093 0.000 0.785 64 G N -0.442 107.903 108.800 -0.758 0.000 2.422 64 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 64 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 64 G C 1.506 176.420 174.900 0.024 0.000 1.140 64 G CA 0.212 45.111 45.100 -0.335 0.000 0.775 64 G HN 0.237 nan 8.290 nan 0.000 0.545 65 L N -0.230 121.066 121.223 0.122 0.000 2.017 65 L HA 0.001 4.341 4.340 0.000 0.000 0.208 65 L C 3.193 180.062 176.870 -0.003 0.000 1.073 65 L CA 1.142 56.026 54.840 0.074 0.000 0.745 65 L CB -0.120 42.075 42.059 0.227 0.000 0.894 65 L HN 0.134 nan 8.230 nan 0.000 0.432 66 R N -0.802 119.708 120.500 0.017 0.000 2.092 66 R HA -0.095 4.245 4.340 0.000 0.000 0.231 66 R C 2.286 178.585 176.300 -0.001 0.000 1.119 66 R CA 1.110 57.225 56.100 0.024 0.000 0.970 66 R CB -0.449 29.869 30.300 0.031 0.000 0.864 66 R HN 0.420 nan 8.270 nan 0.000 0.440 67 A N 0.820 123.624 122.820 -0.027 0.000 1.933 67 A HA -0.085 4.235 4.320 0.000 0.000 0.218 67 A C 2.354 179.887 177.584 -0.086 0.000 1.175 67 A CA 1.755 53.771 52.037 -0.035 0.000 0.628 67 A CB -1.052 17.936 19.000 -0.021 0.000 0.814 67 A HN 0.462 nan 8.150 nan 0.000 0.444 68 G N 0.088 108.809 108.800 -0.132 0.000 2.418 68 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 68 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 68 G C 1.518 176.310 174.900 -0.181 0.000 1.158 68 G CA 1.098 46.068 45.100 -0.216 0.000 0.771 68 G HN 0.480 nan 8.290 nan 0.000 0.545 69 I N 1.550 122.037 120.570 -0.139 0.000 2.163 69 I HA -0.216 3.954 4.170 0.000 0.000 0.243 69 I C 3.328 179.268 176.117 -0.294 0.000 1.085 69 I CA 0.972 62.180 61.300 -0.154 0.000 1.347 69 I CB -0.307 37.655 38.000 -0.063 0.000 1.044 69 I HN 0.243 nan 8.210 nan 0.000 0.408 70 A N 0.463 123.136 122.820 -0.244 0.000 1.884 70 A HA -0.289 4.032 4.320 0.000 0.000 0.219 70 A C 2.403 179.821 177.584 -0.277 0.000 1.197 70 A CA 2.865 54.713 52.037 -0.314 0.000 0.637 70 A CB -1.311 17.679 19.000 -0.017 0.000 0.827 70 A HN 0.411 nan 8.150 nan 0.000 0.450 71 T N -0.014 114.441 114.554 -0.164 0.000 2.746 71 T HA -0.058 4.292 4.350 0.000 0.000 0.267 71 T C 1.780 176.448 174.700 -0.053 0.000 1.039 71 T CA 1.511 63.551 62.100 -0.100 0.000 1.142 71 T CB -0.302 68.501 68.868 -0.108 0.000 0.866 71 T HN 0.359 nan 8.240 nan 0.000 0.444 72 L N 0.445 121.602 121.223 -0.109 0.000 2.179 72 L HA 0.085 4.425 4.340 0.000 0.000 0.208 72 L C 2.980 179.812 176.870 -0.062 0.000 1.096 72 L CA 0.633 55.448 54.840 -0.040 0.000 0.779 72 L CB -0.615 41.388 42.059 -0.094 0.000 0.922 72 L HN 0.213 nan 8.230 nan 0.000 0.443 73 A N 1.165 123.829 122.820 -0.261 0.000 1.896 73 A HA -0.208 4.113 4.320 0.000 0.000 0.220 73 A C -0.127 177.316 177.584 -0.235 0.000 1.206 73 A CA 2.180 54.010 52.037 -0.345 0.000 0.647 73 A CB -1.992 16.507 19.000 -0.835 0.000 0.828 73 A HN 0.282 nan 8.150 nan 0.000 0.455 74 P HA -0.131 nan 4.420 nan 0.000 0.221 74 P C 0.496 177.563 177.300 -0.390 0.000 1.145 74 P CA 1.668 64.562 63.100 -0.344 0.000 0.795 74 P CB -0.202 31.209 31.700 -0.483 0.000 0.775 75 H N -2.328 116.689 119.070 -0.089 0.000 2.547 75 H HA 0.181 4.738 4.556 0.000 0.000 0.272 75 H C 1.770 177.056 175.328 -0.070 0.000 0.971 75 H CA 0.414 56.419 56.048 -0.073 0.000 1.245 75 H CB -0.442 29.272 29.762 -0.081 0.000 1.440 75 H HN 0.042 nan 8.280 nan 0.000 0.540 76 L N -0.026 121.201 121.223 0.007 0.000 2.209 76 L HA 0.022 4.362 4.340 0.000 0.000 0.207 76 L C 0.005 176.861 176.870 -0.025 0.000 1.094 76 L CA -0.131 54.697 54.840 -0.020 0.000 0.790 76 L CB -0.018 42.016 42.059 -0.043 0.000 0.932 76 L HN 0.149 nan 8.230 nan 0.000 0.447 77 L N 1.283 122.482 121.223 -0.040 0.000 2.559 77 L HA 0.086 4.427 4.340 0.000 0.000 0.274 77 L C 1.292 178.150 176.870 -0.020 0.000 1.205 77 L CA 1.437 56.258 54.840 -0.032 0.000 0.907 77 L CB -0.340 41.695 42.059 -0.041 0.000 1.153 77 L HN 0.393 nan 8.230 nan 0.000 0.490 78 G N 2.903 111.696 108.800 -0.012 0.000 2.213 78 G HA2 -0.227 3.733 3.960 0.000 0.000 0.236 78 G HA3 -0.227 3.733 3.960 0.000 0.000 0.236 78 G C 0.352 175.258 174.900 0.010 0.000 0.991 78 G CA -0.005 45.092 45.100 -0.004 0.000 0.629 78 G HN 0.452 nan 8.290 nan 0.000 0.517 79 L N 1.305 122.539 121.223 0.018 0.000 2.439 79 L HA 0.338 4.678 4.340 0.000 0.000 0.269 79 L C 0.393 177.274 176.870 0.020 0.000 1.179 79 L CA -0.590 54.276 54.840 0.044 0.000 0.828 79 L CB 0.550 42.637 42.059 0.047 0.000 1.106 79 L HN 0.083 nan 8.230 nan 0.000 0.467 80 D N 4.569 124.983 120.400 0.023 0.000 2.346 80 D HA 0.071 4.712 4.640 0.000 0.000 0.260 80 D C -1.527 174.767 176.300 -0.010 0.000 1.252 80 D CA -1.592 52.404 54.000 -0.008 0.000 0.895 80 D CB 1.300 42.081 40.800 -0.031 0.000 1.097 80 D HN 0.253 nan 8.370 nan 0.000 0.489 81 P HA 0.026 nan 4.420 nan 0.000 0.245 81 P C 0.885 178.124 177.300 -0.102 0.000 1.212 81 P CA 0.300 63.366 63.100 -0.056 0.000 0.774 81 P CB 0.461 32.130 31.700 -0.052 0.000 0.999 82 R N -0.395 120.046 120.500 -0.098 0.000 2.127 82 R HA 0.132 4.472 4.340 0.000 0.000 0.217 82 R C 0.921 177.128 176.300 -0.155 0.000 1.074 82 R CA 0.479 56.495 56.100 -0.138 0.000 0.991 82 R CB -0.251 29.985 30.300 -0.107 0.000 0.895 82 R HN 0.025 nan 8.270 nan 0.000 0.450 83 S N 1.643 117.285 115.700 -0.097 0.000 3.530 83 S HA 0.127 4.597 4.470 0.000 0.000 0.279 83 S C 1.050 175.617 174.600 -0.054 0.000 1.280 83 S CA -0.193 57.966 58.200 -0.068 0.000 0.946 83 S CB 0.208 63.389 63.200 -0.033 0.000 1.501 83 S HN 0.195 nan 8.310 nan 0.000 0.498 84 L N 1.537 122.667 121.223 -0.155 0.000 2.072 84 L HA -0.075 4.266 4.340 0.000 0.000 0.205 84 L C 1.957 178.775 176.870 -0.088 0.000 1.079 84 L CA 1.013 55.733 54.840 -0.200 0.000 0.752 84 L CB -0.157 41.633 42.059 -0.448 0.000 0.906 84 L HN 0.403 nan 8.230 nan 0.000 0.436 85 D N -1.173 119.194 120.400 -0.054 0.000 2.144 85 D HA -0.251 4.390 4.640 0.000 0.000 0.199 85 D C 1.886 178.194 176.300 0.012 0.000 0.984 85 D CA 1.460 55.453 54.000 -0.011 0.000 0.834 85 D CB -0.112 40.684 40.800 -0.007 0.000 0.955 85 D HN 0.425 nan 8.370 nan 0.000 0.465 86 H N 0.805 119.840 119.070 -0.059 0.000 2.353 86 H HA -0.058 4.498 4.556 0.000 0.000 0.300 86 H C 2.004 177.307 175.328 -0.041 0.000 1.090 86 H CA 1.293 57.313 56.048 -0.047 0.000 1.327 86 H CB -0.236 29.496 29.762 -0.051 0.000 1.383 86 H HN -0.128 nan 8.280 nan 0.000 0.508 87 V N 1.172 121.002 119.914 -0.139 0.000 2.332 87 V HA -0.307 3.813 4.120 0.000 0.000 0.248 87 V C 2.224 178.231 176.094 -0.145 0.000 1.055 87 V CA 2.103 64.303 62.300 -0.166 0.000 1.038 87 V CB -0.512 31.268 31.823 -0.071 0.000 0.651 87 V HN 0.605 nan 8.190 nan 0.000 0.450 88 N N -0.055 118.594 118.700 -0.085 0.000 2.120 88 N HA -0.169 4.571 4.740 0.000 0.000 0.188 88 N C 2.040 177.506 175.510 -0.074 0.000 1.024 88 N CA 1.409 54.430 53.050 -0.048 0.000 0.852 88 N CB -0.224 38.262 38.487 -0.002 0.000 1.003 88 N HN 0.488 nan 8.380 nan 0.000 0.424 89 R N 0.733 121.172 120.500 -0.102 0.000 2.083 89 R HA -0.082 4.258 4.340 0.000 0.000 0.237 89 R C 2.332 178.546 176.300 -0.143 0.000 1.137 89 R CA 1.025 57.063 56.100 -0.104 0.000 0.951 89 R CB -0.542 29.707 30.300 -0.085 0.000 0.851 89 R HN 0.051 nan 8.270 nan 0.000 0.434 90 V N 1.489 121.258 119.914 -0.242 0.000 2.255 90 V HA -0.317 3.804 4.120 0.000 0.000 0.247 90 V C 2.441 178.442 176.094 -0.155 0.000 1.051 90 V CA 1.950 64.119 62.300 -0.218 0.000 1.018 90 V CB -0.431 31.223 31.823 -0.282 0.000 0.641 90 V HN 0.353 nan 8.190 nan 0.000 0.445 91 M N -0.383 119.141 119.600 -0.127 0.000 2.106 91 M HA -0.229 4.251 4.480 0.000 0.000 0.259 91 M C 1.956 178.209 176.300 -0.078 0.000 1.068 91 M CA 1.989 57.233 55.300 -0.094 0.000 1.100 91 M CB -0.746 31.817 32.600 -0.061 0.000 1.351 91 M HN 0.356 nan 8.290 nan 0.000 0.404 92 D N 0.395 120.758 120.400 -0.061 0.000 2.183 92 D HA -0.052 4.588 4.640 0.000 0.000 0.203 92 D C 2.002 178.273 176.300 -0.048 0.000 0.969 92 D CA 0.931 54.910 54.000 -0.034 0.000 0.842 92 D CB -0.186 40.603 40.800 -0.017 0.000 0.957 92 D HN 0.312 nan 8.370 nan 0.000 0.484 93 L N 0.425 121.602 121.223 -0.078 0.000 2.056 93 L HA -0.160 4.180 4.340 0.000 0.000 0.207 93 L C 2.159 178.955 176.870 -0.124 0.000 1.078 93 L CA 1.111 55.898 54.840 -0.089 0.000 0.749 93 L CB 0.127 42.127 42.059 -0.099 0.000 0.901 93 L HN -0.073 nan 8.230 nan 0.000 0.433 94 Q N -1.284 118.410 119.800 -0.178 0.000 2.376 94 Q HA 0.184 4.524 4.340 0.000 0.000 0.206 94 Q C -0.230 175.658 176.000 -0.187 0.000 0.921 94 Q CA 0.392 56.029 55.803 -0.276 0.000 0.911 94 Q CB 0.954 29.397 28.738 -0.492 0.000 1.032 94 Q HN 0.229 nan 8.270 nan 0.000 0.510 95 L N 1.241 122.393 121.223 -0.118 0.000 2.595 95 L HA 0.413 4.754 4.340 0.000 0.000 0.259 95 L C -2.847 174.034 176.870 0.018 0.000 1.033 95 L CA -1.716 53.081 54.840 -0.072 0.000 0.901 95 L CB 1.806 43.782 42.059 -0.138 0.000 1.151 95 L HN -0.215 nan 8.230 nan 0.000 0.453 96 P HA 0.376 nan 4.420 nan 0.000 0.268 96 P C 0.645 178.041 177.300 0.160 0.000 1.208 96 P CA 1.129 64.275 63.100 0.077 0.000 0.777 96 P CB 0.674 32.406 31.700 0.052 0.000 0.875 97 G N 1.933 110.789 108.800 0.095 0.000 2.574 97 G HA2 -0.324 3.637 3.960 0.000 0.000 0.286 97 G HA3 -0.324 3.637 3.960 0.000 0.000 0.286 97 G C -0.545 174.431 174.900 0.127 0.000 1.212 97 G CA 0.499 45.632 45.100 0.055 0.000 0.979 97 G HN 0.755 nan 8.290 nan 0.000 0.557 98 H N -0.816 118.306 119.070 0.086 0.000 2.604 98 H HA -0.122 4.435 4.556 0.000 0.000 0.321 98 H C 1.793 177.106 175.328 -0.026 0.000 1.132 98 H CA 1.041 57.102 56.048 0.023 0.000 1.129 98 H CB -1.564 28.104 29.762 -0.157 0.000 1.526 98 H HN 0.648 nan 8.280 nan 0.000 0.415 99 S N -0.751 115.074 115.700 0.207 0.000 2.399 99 S HA -0.228 4.242 4.470 0.000 0.000 0.231 99 S C 1.901 176.628 174.600 0.213 0.000 1.022 99 S CA 1.391 59.705 58.200 0.190 0.000 0.983 99 S CB -0.247 63.082 63.200 0.216 0.000 0.803 99 S HN 0.823 nan 8.310 nan 0.000 0.480 100 Y N 0.381 120.777 120.300 0.160 0.000 2.352 100 Y HA 0.021 4.571 4.550 0.000 0.000 0.292 100 Y C 1.934 177.929 175.900 0.159 0.000 1.136 100 Y CA 0.452 58.654 58.100 0.171 0.000 1.227 100 Y CB -0.740 37.834 38.460 0.190 0.000 0.991 100 Y HN 0.009 nan 8.280 nan 0.000 0.545 101 V N 0.950 120.608 119.914 -0.426 0.000 2.453 101 V HA -0.205 3.915 4.120 0.000 0.000 0.247 101 V C 2.219 178.266 176.094 -0.078 0.000 1.048 101 V CA 2.105 64.229 62.300 -0.294 0.000 1.049 101 V CB -0.508 31.080 31.823 -0.392 0.000 0.672 101 V HN 0.341 nan 8.190 nan 0.000 0.457 102 K N 0.603 120.987 120.400 -0.027 0.000 2.228 102 K HA -0.068 4.252 4.320 0.000 0.000 0.202 102 K C 2.359 178.998 176.600 0.065 0.000 1.051 102 K CA 1.267 57.565 56.287 0.019 0.000 0.960 102 K CB -0.159 32.362 32.500 0.036 0.000 0.743 102 K HN 0.631 nan 8.250 nan 0.000 0.458 103 S N 1.284 117.043 115.700 0.098 0.000 2.355 103 S HA -0.054 4.416 4.470 0.000 0.000 0.222 103 S C -0.892 173.780 174.600 0.120 0.000 1.031 103 S CA 0.728 59.002 58.200 0.123 0.000 0.993 103 S CB -1.362 61.929 63.200 0.151 0.000 0.859 103 S HN 0.138 nan 8.310 nan 0.000 0.453 104 P HA 0.068 nan 4.420 nan 0.000 0.221 104 P C 1.481 178.836 177.300 0.092 0.000 1.150 104 P CA 0.761 63.928 63.100 0.111 0.000 0.800 104 P CB -0.232 31.544 31.700 0.127 0.000 0.787 105 I N 0.604 121.216 120.570 0.069 0.000 2.179 105 I HA -0.232 3.939 4.170 0.000 0.000 0.242 105 I C 2.391 178.551 176.117 0.072 0.000 1.088 105 I CA 1.961 63.289 61.300 0.047 0.000 1.357 105 I CB -0.952 37.056 38.000 0.014 0.000 1.051 105 I HN -0.042 nan 8.210 nan 0.000 0.409 106 D N 0.776 121.241 120.400 0.108 0.000 2.117 106 D HA -0.252 4.388 4.640 0.000 0.000 0.197 106 D C 2.318 178.795 176.300 0.294 0.000 0.987 106 D CA 1.249 55.360 54.000 0.185 0.000 0.829 106 D CB -0.005 40.920 40.800 0.209 0.000 0.961 106 D HN 0.188 nan 8.370 nan 0.000 0.460 107 M N -0.195 119.535 119.600 0.217 0.000 2.108 107 M HA -0.157 4.323 4.480 0.000 0.000 0.261 107 M C 1.981 178.399 176.300 0.197 0.000 1.066 107 M CA 1.834 57.252 55.300 0.198 0.000 1.107 107 M CB -0.022 32.653 32.600 0.124 0.000 1.356 107 M HN 0.158 nan 8.290 nan 0.000 0.406 108 A N -0.937 121.965 122.820 0.138 0.000 1.968 108 A HA -0.134 4.186 4.320 0.000 0.000 0.217 108 A C 2.107 179.735 177.584 0.074 0.000 1.169 108 A CA 1.416 53.509 52.037 0.093 0.000 0.638 108 A CB -1.178 17.841 19.000 0.032 0.000 0.812 108 A HN 0.702 nan 8.150 nan 0.000 0.446 109 C N -2.792 116.551 119.300 0.071 0.000 2.457 109 C HA -0.099 4.361 4.460 0.000 0.000 0.278 109 C C 2.315 177.293 174.990 -0.020 0.000 1.309 109 C CA 0.266 59.284 59.018 -0.000 0.000 1.735 109 C CB -1.688 26.024 27.740 -0.046 0.000 1.992 109 C HN 0.835 nan 8.230 nan 0.000 0.493 110 W N 1.230 122.521 121.300 -0.015 0.000 2.355 110 W HA -0.119 4.541 4.660 0.000 0.000 0.309 110 W C 2.313 178.806 176.519 -0.043 0.000 1.206 110 W CA 1.732 59.059 57.345 -0.031 0.000 1.284 110 W CB -0.560 28.883 29.460 -0.028 0.000 1.145 110 W HN 0.289 nan 8.180 nan 0.000 0.502 111 D N 0.330 120.855 120.400 0.208 0.000 2.116 111 D HA -0.218 4.422 4.640 0.000 0.000 0.193 111 D C 1.894 178.234 176.300 0.066 0.000 0.998 111 D CA 1.798 55.869 54.000 0.118 0.000 0.836 111 D CB -0.437 40.441 40.800 0.130 0.000 0.951 111 D HN 0.118 nan 8.370 nan 0.000 0.449 112 I N -0.116 120.477 120.570 0.038 0.000 2.179 112 I HA -0.241 3.929 4.170 0.000 0.000 0.242 112 I C 2.467 178.568 176.117 -0.026 0.000 1.088 112 I CA 0.542 61.843 61.300 0.001 0.000 1.357 112 I CB -0.244 37.743 38.000 -0.021 0.000 1.051 112 I HN 0.092 nan 8.210 nan 0.000 0.409 113 L N 1.072 122.260 121.223 -0.059 0.000 2.042 113 L HA -0.126 4.214 4.340 0.000 0.000 0.210 113 L C 2.327 179.163 176.870 -0.057 0.000 1.076 113 L CA 2.245 57.025 54.840 -0.099 0.000 0.749 113 L CB -1.096 40.830 42.059 -0.222 0.000 0.893 113 L HN 0.215 nan 8.230 nan 0.000 0.432 114 G N -1.603 107.190 108.800 -0.012 0.000 2.418 114 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 114 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 114 G C 1.466 176.347 174.900 -0.030 0.000 1.158 114 G CA 0.778 45.866 45.100 -0.021 0.000 0.771 114 G HN 0.540 nan 8.290 nan 0.000 0.545 115 Q N -0.363 119.429 119.800 -0.012 0.000 2.079 115 Q HA -0.007 4.333 4.340 0.000 0.000 0.200 115 Q C 2.829 178.820 176.000 -0.016 0.000 0.974 115 Q CA 1.082 56.881 55.803 -0.006 0.000 0.840 115 Q CB -0.188 28.558 28.738 0.013 0.000 0.898 115 Q HN 0.358 nan 8.270 nan 0.000 0.430 116 V N 0.704 120.603 119.914 -0.025 0.000 2.407 116 V HA -0.245 3.875 4.120 0.000 0.000 0.248 116 V C 2.034 178.106 176.094 -0.036 0.000 1.055 116 V CA 1.889 64.170 62.300 -0.031 0.000 1.049 116 V CB -0.591 31.207 31.823 -0.042 0.000 0.662 116 V HN 0.395 nan 8.190 nan 0.000 0.455 117 A N -0.955 121.838 122.820 -0.044 0.000 2.132 117 A HA 0.374 4.694 4.320 0.000 0.000 0.213 117 A C 1.932 179.488 177.584 -0.046 0.000 1.154 117 A CA 1.023 53.032 52.037 -0.048 0.000 0.753 117 A CB -0.335 18.631 19.000 -0.058 0.000 0.826 117 A HN 1.258 nan 8.150 nan 0.000 0.469 118 G N -1.039 107.735 108.800 -0.043 0.000 2.176 118 G HA2 -0.196 3.764 3.960 0.000 0.000 0.252 118 G HA3 -0.196 3.764 3.960 0.000 0.000 0.252 118 G C -0.151 174.708 174.900 -0.068 0.000 1.024 118 G CA 0.526 45.601 45.100 -0.042 0.000 0.755 118 G HN 0.522 nan 8.290 nan 0.000 0.507 119 L N 0.537 121.703 121.223 -0.096 0.000 2.381 119 L HA 0.563 4.904 4.340 0.000 0.000 0.268 119 L C -1.969 174.766 176.870 -0.225 0.000 0.997 119 L CA -2.673 52.064 54.840 -0.171 0.000 0.818 119 L CB 2.552 44.507 42.059 -0.172 0.000 1.310 119 L HN -0.115 nan 8.230 nan 0.000 0.416 120 P HA 0.048 nan 4.420 nan 0.000 0.272 120 P C 0.546 177.516 177.300 -0.550 0.000 1.223 120 P CA -0.480 62.350 63.100 -0.449 0.000 0.784 120 P CB 1.253 32.569 31.700 -0.639 0.000 0.923 121 L N 2.092 122.984 121.223 -0.553 0.000 2.079 121 L HA -0.131 4.210 4.340 0.000 0.000 0.210 121 L C 2.434 179.178 176.870 -0.210 0.000 1.081 121 L CA 1.698 56.270 54.840 -0.447 0.000 0.752 121 L CB -1.650 39.972 42.059 -0.728 0.000 0.896 121 L HN 0.605 nan 8.230 nan 0.000 0.433 122 W N -0.997 120.359 121.300 0.094 0.000 2.392 122 W HA -0.243 4.418 4.660 0.000 0.000 0.279 122 W C 1.962 178.530 176.519 0.081 0.000 1.225 122 W CA 0.999 58.439 57.345 0.158 0.000 1.233 122 W CB -0.963 28.637 29.460 0.234 0.000 1.122 122 W HN 0.339 nan 8.180 nan 0.000 0.561 123 Q N 1.055 120.583 119.800 -0.452 0.000 2.163 123 Q HA -0.037 4.303 4.340 0.000 0.000 0.198 123 Q C 2.530 178.470 176.000 -0.100 0.000 0.954 123 Q CA 1.119 56.723 55.803 -0.332 0.000 0.851 123 Q CB -0.283 28.025 28.738 -0.716 0.000 0.928 123 Q HN 0.325 nan 8.270 nan 0.000 0.459 124 L N 0.258 121.430 121.223 -0.086 0.000 2.191 124 L HA -0.144 4.196 4.340 0.000 0.000 0.212 124 L C 1.787 178.752 176.870 0.158 0.000 1.103 124 L CA 0.744 55.633 54.840 0.082 0.000 0.769 124 L CB -0.094 42.098 42.059 0.222 0.000 0.908 124 L HN 0.310 nan 8.230 nan 0.000 0.438 125 L N -0.912 120.364 121.223 0.089 0.000 2.599 125 L HA 0.132 4.472 4.340 0.000 0.000 0.230 125 L C 1.408 178.337 176.870 0.099 0.000 1.141 125 L CA 0.644 55.525 54.840 0.068 0.000 0.877 125 L CB -0.119 41.929 42.059 -0.019 0.000 1.009 125 L HN 0.436 nan 8.230 nan 0.000 0.447 126 G N -0.665 108.204 108.800 0.115 0.000 2.184 126 G HA2 -0.188 3.773 3.960 0.000 0.000 0.206 126 G HA3 -0.188 3.773 3.960 0.000 0.000 0.206 126 G C 0.527 175.518 174.900 0.153 0.000 0.995 126 G CA -0.390 44.777 45.100 0.112 0.000 0.651 126 G HN 0.468 nan 8.290 nan 0.000 0.511 127 G N 0.226 109.172 108.800 0.243 0.000 2.527 127 G HA2 0.527 4.487 3.960 0.000 0.000 0.248 127 G HA3 0.527 4.487 3.960 0.000 0.000 0.248 127 G C 0.821 175.935 174.900 0.358 0.000 1.231 127 G CA 0.566 45.838 45.100 0.286 0.000 0.838 127 G HN 0.735 nan 8.290 nan 0.000 0.570 128 E N 0.535 120.861 120.200 0.210 0.000 2.216 128 E HA 0.355 4.705 4.350 0.000 0.000 0.192 128 E C 0.937 177.650 176.600 0.188 0.000 0.988 128 E CA 0.781 57.297 56.400 0.192 0.000 0.834 128 E CB 0.216 29.967 29.700 0.086 0.000 0.772 128 E HN 0.559 nan 8.360 nan 0.000 0.479 129 A N 0.453 123.215 122.820 -0.097 0.000 2.606 129 A HA 0.677 4.997 4.320 0.000 0.000 0.293 129 A C -0.993 175.851 177.584 -1.234 0.000 1.082 129 A CA -0.456 51.269 52.037 -0.521 0.000 0.685 129 A CB 1.404 20.250 19.000 -0.257 0.000 1.284 129 A HN 0.247 nan 8.150 nan 0.000 0.408 130 A N 1.558 123.496 122.820 -1.470 0.000 2.981 130 A HA 0.497 4.817 4.320 0.000 0.000 0.280 130 A C 0.505 177.745 177.584 -0.574 0.000 1.797 130 A CA 0.331 51.641 52.037 -1.212 0.000 1.456 130 A CB -1.462 17.068 19.000 -0.783 0.000 1.057 130 A HN 0.776 nan 8.150 nan 0.000 0.602 131 T N 5.160 119.439 114.554 -0.459 0.000 2.853 131 T HA 0.290 4.640 4.350 0.000 0.000 0.298 131 T C -2.276 172.301 174.700 -0.204 0.000 0.978 131 T CA -0.345 61.601 62.100 -0.257 0.000 1.152 131 T CB 0.430 69.189 68.868 -0.181 0.000 0.914 131 T HN 0.468 nan 8.240 nan 0.000 0.539 132 P HA 0.167 nan 4.420 nan 0.000 0.266 132 P C -0.801 176.442 177.300 -0.095 0.000 1.215 132 P CA -0.190 62.838 63.100 -0.120 0.000 0.763 132 P CB 0.429 32.069 31.700 -0.101 0.000 0.806 133 V N 7.054 126.918 119.914 -0.083 0.000 2.398 133 V HA 0.269 4.390 4.120 0.000 0.000 0.286 133 V C -2.041 174.028 176.094 -0.042 0.000 1.026 133 V CA -2.275 59.990 62.300 -0.058 0.000 0.868 133 V CB 1.348 33.141 31.823 -0.049 0.000 0.982 133 V HN 0.443 nan 8.190 nan 0.000 0.443 134 P HA 0.133 nan 4.420 nan 0.000 0.266 134 P C -0.766 176.543 177.300 0.015 0.000 1.195 134 P CA 0.138 63.225 63.100 -0.023 0.000 0.768 134 P CB 0.332 32.014 31.700 -0.029 0.000 0.838 135 I N 2.552 123.148 120.570 0.044 0.000 2.404 135 I HA 0.256 4.426 4.170 0.000 0.000 0.293 135 I C 0.619 176.858 176.117 0.203 0.000 0.992 135 I CA -1.157 60.211 61.300 0.113 0.000 1.149 135 I CB 1.032 39.101 38.000 0.114 0.000 1.315 135 I HN 0.406 nan 8.210 nan 0.000 0.446 136 N N 3.471 122.253 118.700 0.136 0.000 2.509 136 N HA 0.385 5.126 4.740 0.000 0.000 0.287 136 N C -0.154 175.262 175.510 -0.157 0.000 1.121 136 N CA -0.618 52.447 53.050 0.024 0.000 0.977 136 N CB 1.156 39.627 38.487 -0.028 0.000 1.167 136 N HN 0.584 nan 8.380 nan 0.000 0.476 137 S N 0.983 116.404 115.700 -0.466 0.000 2.632 137 S HA 0.407 4.877 4.470 0.000 0.000 0.267 137 S C -0.350 174.131 174.600 -0.199 0.000 1.276 137 S CA -0.890 56.894 58.200 -0.693 0.000 0.998 137 S CB 0.603 63.422 63.200 -0.636 0.000 0.953 137 S HN 0.572 nan 8.310 nan 0.000 0.547 138 S N 1.808 117.446 115.700 -0.104 0.000 2.474 138 S HA 0.472 4.942 4.470 0.000 0.000 0.321 138 S C -0.575 174.010 174.600 -0.025 0.000 1.080 138 S CA -0.786 57.405 58.200 -0.015 0.000 1.106 138 S CB 0.343 63.631 63.200 0.146 0.000 0.984 138 S HN 0.596 nan 8.310 nan 0.000 0.464 139 I N 2.905 123.443 120.570 -0.054 0.000 2.330 139 I HA 0.288 4.459 4.170 0.000 0.000 0.286 139 I C 0.677 176.770 176.117 -0.041 0.000 1.025 139 I CA -0.317 60.957 61.300 -0.044 0.000 1.197 139 I CB 0.438 38.403 38.000 -0.059 0.000 1.358 139 I HN 0.422 nan 8.210 nan 0.000 0.467 140 S N 4.412 120.100 115.700 -0.020 0.000 2.579 140 S HA 0.184 4.654 4.470 0.000 0.000 0.275 140 S C 0.612 175.204 174.600 -0.013 0.000 1.345 140 S CA -0.297 57.889 58.200 -0.025 0.000 1.031 140 S CB 0.524 63.725 63.200 0.003 0.000 0.892 140 S HN 0.643 nan 8.310 nan 0.000 0.529 141 T N 2.380 116.921 114.554 -0.021 0.000 2.940 141 T HA 0.521 4.872 4.350 0.000 0.000 0.309 141 T C 0.783 175.496 174.700 0.021 0.000 1.056 141 T CA -0.004 62.096 62.100 -0.000 0.000 1.137 141 T CB 0.716 69.578 68.868 -0.011 0.000 0.976 141 T HN 0.843 nan 8.240 nan 0.000 0.547 142 G N 1.482 110.299 108.800 0.029 0.000 2.474 142 G HA2 0.527 4.487 3.960 0.000 0.000 0.234 142 G HA3 0.527 4.487 3.960 0.000 0.000 0.234 142 G C -0.284 174.635 174.900 0.033 0.000 1.204 142 G CA -0.286 44.834 45.100 0.033 0.000 0.939 142 G HN 0.904 nan 8.290 nan 0.000 0.491 143 T N 0.190 114.762 114.554 0.030 0.000 2.898 143 T HA 0.462 4.812 4.350 0.000 0.000 0.301 143 T C -1.168 173.550 174.700 0.029 0.000 1.049 143 T CA -0.472 61.644 62.100 0.027 0.000 1.095 143 T CB 1.571 70.452 68.868 0.022 0.000 0.976 143 T HN 0.174 nan 8.240 nan 0.000 0.539 144 P HA -0.229 nan 4.420 nan 0.000 0.225 144 P C 1.113 178.427 177.300 0.023 0.000 1.154 144 P CA 1.661 64.780 63.100 0.031 0.000 0.933 144 P CB -0.007 31.708 31.700 0.025 0.000 0.790 145 D N -1.394 119.016 120.400 0.017 0.000 2.194 145 D HA -0.088 4.552 4.640 0.000 0.000 0.204 145 D C 2.121 178.426 176.300 0.008 0.000 0.964 145 D CA 0.762 54.768 54.000 0.010 0.000 0.846 145 D CB -0.209 40.596 40.800 0.009 0.000 0.962 145 D HN 0.356 nan 8.370 nan 0.000 0.490 146 Q N 0.200 120.007 119.800 0.013 0.000 2.046 146 Q HA -0.020 4.320 4.340 0.000 0.000 0.200 146 Q C 2.320 178.324 176.000 0.006 0.000 0.975 146 Q CA 1.035 56.846 55.803 0.013 0.000 0.836 146 Q CB 0.053 28.804 28.738 0.021 0.000 0.896 146 Q HN 0.242 nan 8.270 nan 0.000 0.428 147 M N -0.337 119.268 119.600 0.009 0.000 2.175 147 M HA -0.146 4.334 4.480 0.000 0.000 0.264 147 M C 1.878 178.161 176.300 -0.027 0.000 1.063 147 M CA 0.894 56.193 55.300 -0.002 0.000 1.119 147 M CB -0.083 32.530 32.600 0.021 0.000 1.377 147 M HN 0.178 nan 8.290 nan 0.000 0.415 148 L N 0.196 121.408 121.223 -0.019 0.000 2.217 148 L HA 0.037 4.377 4.340 0.000 0.000 0.211 148 L C 2.366 179.207 176.870 -0.047 0.000 1.107 148 L CA 1.442 56.258 54.840 -0.039 0.000 0.783 148 L CB -0.998 41.050 42.059 -0.018 0.000 0.919 148 L HN 0.238 nan 8.230 nan 0.000 0.442 149 G N -1.009 107.774 108.800 -0.027 0.000 2.394 149 G HA2 -0.193 3.767 3.960 0.000 0.000 0.215 149 G HA3 -0.193 3.767 3.960 0.000 0.000 0.215 149 G C 1.603 176.488 174.900 -0.025 0.000 1.165 149 G CA 0.635 45.722 45.100 -0.021 0.000 0.784 149 G HN 0.364 nan 8.290 nan 0.000 0.535 150 L N -0.004 121.203 121.223 -0.026 0.000 2.131 150 L HA 0.023 4.363 4.340 0.000 0.000 0.210 150 L C 2.744 179.576 176.870 -0.064 0.000 1.092 150 L CA 0.502 55.325 54.840 -0.027 0.000 0.759 150 L CB -0.216 41.832 42.059 -0.020 0.000 0.903 150 L HN 0.204 nan 8.230 nan 0.000 0.435 151 I N -0.524 119.970 120.570 -0.127 0.000 2.286 151 I HA -0.235 3.935 4.170 0.000 0.000 0.245 151 I C 2.720 178.724 176.117 -0.188 0.000 1.104 151 I CA 1.064 62.200 61.300 -0.272 0.000 1.397 151 I CB -0.290 37.499 38.000 -0.351 0.000 1.072 151 I HN 0.174 nan 8.210 nan 0.000 0.417 152 A N -0.033 122.720 122.820 -0.112 0.000 1.933 152 A HA -0.261 4.059 4.320 0.000 0.000 0.218 152 A C 2.272 179.854 177.584 -0.004 0.000 1.175 152 A CA 1.782 53.782 52.037 -0.062 0.000 0.628 152 A CB -0.592 18.379 19.000 -0.049 0.000 0.814 152 A HN 0.473 nan 8.150 nan 0.000 0.444 153 E N -0.237 119.966 120.200 0.007 0.000 2.077 153 E HA -0.137 4.213 4.350 0.000 0.000 0.193 153 E C 2.156 178.818 176.600 0.103 0.000 0.989 153 E CA 1.001 57.427 56.400 0.043 0.000 0.800 153 E CB -0.213 29.508 29.700 0.035 0.000 0.746 153 E HN 0.567 nan 8.360 nan 0.000 0.452 154 A N 0.979 123.876 122.820 0.128 0.000 1.930 154 A HA -0.029 4.292 4.320 0.000 0.000 0.217 154 A C 2.339 180.171 177.584 0.414 0.000 1.175 154 A CA 1.504 53.730 52.037 0.315 0.000 0.627 154 A CB -0.575 18.576 19.000 0.253 0.000 0.815 154 A HN 0.381 nan 8.150 nan 0.000 0.443 155 A N -0.072 122.926 122.820 0.296 0.000 1.933 155 A HA 0.163 4.483 4.320 0.000 0.000 0.218 155 A C 2.430 180.129 177.584 0.192 0.000 1.175 155 A CA 1.943 54.169 52.037 0.316 0.000 0.628 155 A CB -0.849 18.236 19.000 0.142 0.000 0.814 155 A HN 1.015 nan 8.150 nan 0.000 0.444 156 A N -0.746 122.147 122.820 0.121 0.000 1.969 156 A HA -0.149 4.171 4.320 0.000 0.000 0.218 156 A C 2.015 179.629 177.584 0.049 0.000 1.169 156 A CA 1.471 53.551 52.037 0.071 0.000 0.635 156 A CB -0.429 18.601 19.000 0.050 0.000 0.810 156 A HN 0.649 nan 8.150 nan 0.000 0.445 157 Q N -1.758 118.081 119.800 0.065 0.000 2.435 157 Q HA 0.224 4.565 4.340 0.000 0.000 0.207 157 Q C 1.139 177.055 176.000 -0.140 0.000 0.956 157 Q CA 0.545 56.334 55.803 -0.023 0.000 0.917 157 Q CB 0.084 28.828 28.738 0.011 0.000 0.997 157 Q HN 0.874 nan 8.270 nan 0.000 0.497 158 G N -0.424 108.345 108.800 -0.052 0.000 2.163 158 G HA2 -0.254 3.706 3.960 0.000 0.000 0.213 158 G HA3 -0.254 3.706 3.960 0.000 0.000 0.213 158 G C -0.432 174.403 174.900 -0.109 0.000 0.991 158 G CA -0.644 44.407 45.100 -0.081 0.000 0.653 158 G HN 0.298 nan 8.290 nan 0.000 0.518 159 Y N 0.640 120.976 120.300 0.060 0.000 2.526 159 Y HA 0.413 4.963 4.550 0.000 0.000 0.330 159 Y C 1.938 177.798 175.900 -0.066 0.000 1.156 159 Y CA 0.216 58.316 58.100 -0.000 0.000 1.419 159 Y CB 0.590 39.091 38.460 0.069 0.000 1.250 159 Y HN 0.104 nan 8.280 nan 0.000 0.540 160 R N 0.672 121.094 120.500 -0.130 0.000 2.446 160 R HA 0.176 4.516 4.340 0.000 0.000 0.254 160 R C -0.453 175.589 176.300 -0.429 0.000 0.918 160 R CA 0.180 56.013 56.100 -0.445 0.000 1.069 160 R CB 0.677 30.716 30.300 -0.436 0.000 1.194 160 R HN 0.502 nan 8.270 nan 0.000 0.534 161 T N 1.186 115.472 114.554 -0.448 0.000 2.861 161 T HA 0.409 4.760 4.350 0.000 0.000 0.287 161 T C -0.925 173.440 174.700 -0.559 0.000 1.003 161 T CA -0.659 61.215 62.100 -0.376 0.000 0.977 161 T CB 2.014 70.810 68.868 -0.120 0.000 0.996 161 T HN 0.076 nan 8.240 nan 0.000 0.448 162 H N 0.671 119.728 119.070 -0.021 0.000 2.689 162 H HA 0.441 4.998 4.556 0.000 0.000 0.346 162 H C -0.770 174.460 175.328 -0.164 0.000 1.037 162 H CA -0.604 55.388 56.048 -0.093 0.000 1.234 162 H CB 1.973 31.694 29.762 -0.070 0.000 1.572 162 H HN 0.504 nan 8.280 nan 0.000 0.524 163 S N 2.179 117.826 115.700 -0.088 0.000 2.415 163 S HA 0.479 4.950 4.470 0.000 0.000 0.313 163 S C 0.069 174.576 174.600 -0.157 0.000 1.067 163 S CA -0.666 57.427 58.200 -0.178 0.000 1.099 163 S CB -0.467 62.582 63.200 -0.251 0.000 0.991 163 S HN 0.717 nan 8.310 nan 0.000 0.491 164 A N 6.035 128.744 122.820 -0.186 0.000 2.309 164 A HA 0.451 4.771 4.320 0.000 0.000 0.290 164 A C 0.060 177.614 177.584 -0.050 0.000 1.206 164 A CA -0.570 51.400 52.037 -0.111 0.000 0.850 164 A CB 0.308 19.229 19.000 -0.130 0.000 1.118 164 A HN 0.683 nan 8.150 nan 0.000 0.523 165 K N 3.782 124.144 120.400 -0.062 0.000 2.267 165 K HA 0.400 4.720 4.320 0.000 0.000 0.282 165 K C -0.135 176.438 176.600 -0.045 0.000 1.078 165 K CA 0.156 56.386 56.287 -0.095 0.000 0.903 165 K CB 0.464 32.877 32.500 -0.145 0.000 1.111 165 K HN 0.762 nan 8.250 nan 0.000 0.475 166 I N -2.057 118.480 120.570 -0.056 0.000 3.522 166 I HA 0.854 5.024 4.170 0.000 0.000 0.292 166 I C 0.318 176.334 176.117 -0.168 0.000 1.147 166 I CA -0.873 60.401 61.300 -0.044 0.000 1.032 166 I CB 2.130 40.153 38.000 0.037 0.000 1.337 166 I HN 0.596 nan 8.210 nan 0.000 0.496 167 G N -0.598 108.140 108.800 -0.103 0.000 2.408 167 G HA2 0.503 4.463 3.960 0.000 0.000 0.682 167 G HA3 0.503 4.463 3.960 0.000 0.000 0.682 167 G C -0.294 174.637 174.900 0.052 0.000 1.303 167 G CA -0.057 44.946 45.100 -0.162 0.000 0.966 167 G HN 2.530 nan 8.290 nan 0.000 0.560 168 G N -2.101 106.761 108.800 0.104 0.000 2.587 168 G HA2 0.453 4.413 3.960 0.000 0.000 0.686 168 G HA3 0.453 4.413 3.960 0.000 0.000 0.686 168 G C 0.660 175.698 174.900 0.229 0.000 1.236 168 G CA 0.690 45.875 45.100 0.141 0.000 0.820 168 G HN 2.339 nan 8.290 nan 0.000 0.645 169 S N -0.866 114.918 115.700 0.139 0.000 2.660 169 S HA 0.287 4.758 4.470 0.000 0.000 0.227 169 S C 0.265 174.895 174.600 0.050 0.000 0.948 169 S CA 0.672 58.933 58.200 0.101 0.000 0.948 169 S CB 0.501 63.741 63.200 0.067 0.000 0.779 169 S HN 0.705 nan 8.310 nan 0.000 0.487 170 D N 2.622 123.059 120.400 0.062 0.000 2.428 170 D HA 0.276 4.917 4.640 0.000 0.000 0.221 170 D C -1.944 174.369 176.300 0.022 0.000 1.123 170 D CA -1.930 52.088 54.000 0.030 0.000 0.869 170 D CB 1.779 42.599 40.800 0.033 0.000 1.032 170 D HN 0.059 nan 8.370 nan 0.000 0.506 171 P HA -0.025 nan 4.420 nan 0.000 0.217 171 P C 1.058 178.325 177.300 -0.055 0.000 1.151 171 P CA 0.593 63.640 63.100 -0.088 0.000 0.828 171 P CB 0.320 31.935 31.700 -0.141 0.000 0.788 172 A N 0.726 123.524 122.820 -0.036 0.000 1.969 172 A HA -0.226 4.094 4.320 0.000 0.000 0.218 172 A C 2.252 179.829 177.584 -0.011 0.000 1.169 172 A CA 1.594 53.613 52.037 -0.029 0.000 0.635 172 A CB -1.209 17.777 19.000 -0.023 0.000 0.810 172 A HN 0.376 nan 8.150 nan 0.000 0.445 173 Q N -1.074 118.731 119.800 0.007 0.000 2.187 173 Q HA -0.123 4.217 4.340 0.000 0.000 0.199 173 Q C 0.844 176.865 176.000 0.033 0.000 0.957 173 Q CA 1.236 57.051 55.803 0.021 0.000 0.857 173 Q CB -0.349 28.407 28.738 0.030 0.000 0.929 173 Q HN 0.426 nan 8.270 nan 0.000 0.453 174 D N 1.446 121.879 120.400 0.054 0.000 2.144 174 D HA -0.052 4.588 4.640 0.000 0.000 0.200 174 D C 1.962 178.266 176.300 0.008 0.000 0.978 174 D CA 0.872 54.923 54.000 0.086 0.000 0.833 174 D CB -0.044 40.893 40.800 0.229 0.000 0.961 174 D HN 0.297 nan 8.370 nan 0.000 0.470 175 I N 1.209 121.762 120.570 -0.028 0.000 2.163 175 I HA -0.269 3.901 4.170 0.000 0.000 0.243 175 I C 2.461 178.550 176.117 -0.047 0.000 1.085 175 I CA 1.250 62.514 61.300 -0.060 0.000 1.347 175 I CB -0.172 37.789 38.000 -0.064 0.000 1.044 175 I HN -0.081 nan 8.210 nan 0.000 0.408 176 A N 0.390 123.197 122.820 -0.022 0.000 1.969 176 A HA -0.169 4.152 4.320 0.000 0.000 0.218 176 A C 2.378 179.964 177.584 0.003 0.000 1.169 176 A CA 1.313 53.345 52.037 -0.008 0.000 0.635 176 A CB -0.488 18.512 19.000 -0.000 0.000 0.810 176 A HN 0.293 nan 8.150 nan 0.000 0.445 177 R N -0.590 119.915 120.500 0.009 0.000 2.070 177 R HA -0.030 4.310 4.340 0.000 0.000 0.233 177 R C 2.002 178.318 176.300 0.027 0.000 1.137 177 R CA 1.699 57.821 56.100 0.037 0.000 0.945 177 R CB -0.459 29.874 30.300 0.056 0.000 0.845 177 R HN 0.550 nan 8.270 nan 0.000 0.430 178 I N 0.910 121.408 120.570 -0.120 0.000 2.163 178 I HA -0.266 3.904 4.170 0.000 0.000 0.243 178 I C 2.194 178.260 176.117 -0.084 0.000 1.085 178 I CA 1.316 62.398 61.300 -0.364 0.000 1.347 178 I CB -0.190 37.463 38.000 -0.579 0.000 1.044 178 I HN 0.177 nan 8.210 nan 0.000 0.408 179 E N 0.681 120.852 120.200 -0.047 0.000 2.208 179 E HA -0.135 4.215 4.350 0.000 0.000 0.193 179 E C 2.260 178.884 176.600 0.040 0.000 0.988 179 E CA 1.227 57.627 56.400 0.001 0.000 0.828 179 E CB -0.115 29.577 29.700 -0.014 0.000 0.763 179 E HN 0.518 nan 8.360 nan 0.000 0.478 180 A N 1.237 124.085 122.820 0.046 0.000 1.872 180 A HA -0.071 4.249 4.320 0.000 0.000 0.214 180 A C 2.267 179.901 177.584 0.083 0.000 1.187 180 A CA 0.717 52.786 52.037 0.053 0.000 0.614 180 A CB -0.516 18.509 19.000 0.042 0.000 0.826 180 A HN 0.111 nan 8.150 nan 0.000 0.442 181 I N -0.802 119.853 120.570 0.142 0.000 2.252 181 I HA -0.190 3.980 4.170 0.000 0.000 0.245 181 I C 2.790 179.018 176.117 0.185 0.000 1.102 181 I CA 1.468 62.873 61.300 0.174 0.000 1.385 181 I CB -0.133 38.046 38.000 0.298 0.000 1.064 181 I HN 0.364 nan 8.210 nan 0.000 0.414 182 S N 0.214 116.074 115.700 0.266 0.000 2.383 182 S HA -0.060 4.410 4.470 0.000 0.000 0.227 182 S C 2.047 176.719 174.600 0.121 0.000 1.026 182 S CA 1.292 59.626 58.200 0.225 0.000 0.981 182 S CB -0.074 63.279 63.200 0.256 0.000 0.818 182 S HN 0.475 nan 8.310 nan 0.000 0.472 183 A N -0.130 122.743 122.820 0.090 0.000 2.123 183 A HA 0.390 4.710 4.320 0.000 0.000 0.214 183 A C 1.736 179.344 177.584 0.040 0.000 1.152 183 A CA 0.926 52.997 52.037 0.056 0.000 0.728 183 A CB -0.432 18.592 19.000 0.041 0.000 0.814 183 A HN 0.543 nan 8.150 nan 0.000 0.464 184 G N -0.647 108.176 108.800 0.038 0.000 3.690 184 G HA2 0.439 4.399 3.960 0.000 0.000 0.283 184 G HA3 0.439 4.399 3.960 0.000 0.000 0.283 184 G C 0.148 175.042 174.900 -0.010 0.000 1.057 184 G CA -0.347 44.760 45.100 0.011 0.000 0.821 184 G HN 0.305 nan 8.290 nan 0.000 0.526 185 L N 2.203 123.431 121.223 0.008 0.000 2.416 185 L HA 0.238 4.578 4.340 0.000 0.000 0.272 185 L C -1.302 175.545 176.870 -0.038 0.000 1.161 185 L CA -1.442 53.392 54.840 -0.012 0.000 0.845 185 L CB 0.979 43.074 42.059 0.061 0.000 1.119 185 L HN 0.092 nan 8.230 nan 0.000 0.464 186 P HA 0.048 nan 4.420 nan 0.000 0.270 186 P C -1.209 176.107 177.300 0.027 0.000 1.223 186 P CA -0.370 62.640 63.100 -0.151 0.000 0.785 186 P CB 0.424 31.851 31.700 -0.455 0.000 0.923 187 D N -0.301 120.154 120.400 0.092 0.000 2.390 187 D HA 0.373 5.013 4.640 0.000 0.000 0.249 187 D C 1.421 177.862 176.300 0.234 0.000 1.144 187 D CA 1.202 55.284 54.000 0.136 0.000 0.880 187 D CB -0.058 40.794 40.800 0.087 0.000 1.182 187 D HN 0.684 nan 8.370 nan 0.000 0.451 188 G N 1.452 110.355 108.800 0.171 0.000 2.225 188 G HA2 -0.262 3.699 3.960 0.000 0.000 0.254 188 G HA3 -0.262 3.699 3.960 0.000 0.000 0.254 188 G C 0.156 175.114 174.900 0.096 0.000 0.988 188 G CA -0.238 44.931 45.100 0.115 0.000 0.625 188 G HN 0.669 nan 8.290 nan 0.000 0.527 189 H N 0.810 119.923 119.070 0.072 0.000 2.551 189 H HA 0.527 5.083 4.556 0.000 0.000 0.358 189 H C 0.465 175.848 175.328 0.091 0.000 1.151 189 H CA -0.070 56.035 56.048 0.096 0.000 1.374 189 H CB 0.679 30.556 29.762 0.192 0.000 1.473 189 H HN 0.241 nan 8.280 nan 0.000 0.574 190 R N 1.377 121.976 120.500 0.165 0.000 2.621 190 R HA 0.370 4.710 4.340 0.000 0.000 0.292 190 R C -0.828 175.541 176.300 0.114 0.000 0.969 190 R CA -0.968 55.207 56.100 0.124 0.000 0.887 190 R CB 2.368 32.722 30.300 0.091 0.000 1.180 190 R HN 0.370 nan 8.270 nan 0.000 0.450 191 V N -0.973 118.976 119.914 0.058 0.000 2.547 191 V HA 0.602 4.723 4.120 0.000 0.000 0.299 191 V C -0.043 175.986 176.094 -0.109 0.000 1.040 191 V CA -0.617 61.617 62.300 -0.109 0.000 0.913 191 V CB 1.830 33.419 31.823 -0.389 0.000 0.992 191 V HN 0.654 nan 8.190 nan 0.000 0.449 192 T N 4.675 119.127 114.554 -0.170 0.000 2.779 192 T HA 0.617 4.967 4.350 0.000 0.000 0.280 192 T C -0.638 173.888 174.700 -0.290 0.000 0.987 192 T CA 0.092 62.129 62.100 -0.106 0.000 0.966 192 T CB 0.739 69.542 68.868 -0.108 0.000 0.933 192 T HN 0.494 nan 8.240 nan 0.000 0.442 193 F N 2.744 122.725 119.950 0.051 0.000 2.375 193 F HA 0.286 4.814 4.527 0.000 0.000 0.362 193 F C 0.803 176.542 175.800 -0.102 0.000 1.129 193 F CA -0.895 57.095 58.000 -0.018 0.000 1.154 193 F CB 0.560 39.574 39.000 0.024 0.000 1.205 193 F HN 0.410 nan 8.300 nan 0.000 0.513 194 D N 3.479 123.857 120.400 -0.036 0.000 2.317 194 D HA 0.263 4.903 4.640 0.000 0.000 0.234 194 D C 0.437 176.599 176.300 -0.230 0.000 1.112 194 D CA -0.186 53.716 54.000 -0.163 0.000 0.840 194 D CB 1.613 42.270 40.800 -0.237 0.000 1.078 194 D HN 0.289 nan 8.370 nan 0.000 0.486 195 V N 3.443 123.161 119.914 -0.327 0.000 3.174 195 V HA 0.027 4.148 4.120 0.000 0.000 0.254 195 V C 0.557 176.413 176.094 -0.397 0.000 1.120 195 V CA 0.205 62.179 62.300 -0.543 0.000 1.114 195 V CB -1.294 29.997 31.823 -0.887 0.000 0.756 195 V HN 0.809 nan 8.190 nan 0.000 0.467 196 N N 1.005 119.536 118.700 -0.283 0.000 2.705 196 N HA -0.263 4.478 4.740 0.000 0.000 0.255 196 N C 0.379 175.783 175.510 -0.177 0.000 1.008 196 N CA 0.567 53.495 53.050 -0.202 0.000 0.742 196 N CB -0.727 37.654 38.487 -0.176 0.000 0.906 196 N HN 0.552 nan 8.380 nan 0.000 0.541 197 R N -3.791 116.599 120.500 -0.182 0.000 4.000 197 R HA -0.301 4.039 4.340 0.000 0.000 0.362 197 R C 1.096 177.341 176.300 -0.092 0.000 1.183 197 R CA 0.967 56.996 56.100 -0.119 0.000 1.011 197 R CB -1.957 28.286 30.300 -0.095 0.000 1.501 197 R HN 0.518 nan 8.270 nan 0.000 0.553 198 A N -0.389 122.330 122.820 -0.169 0.000 2.167 198 A HA -0.007 4.313 4.320 0.000 0.000 0.214 198 A C 0.368 178.002 177.584 0.084 0.000 1.151 198 A CA 0.426 52.406 52.037 -0.094 0.000 0.735 198 A CB 0.013 18.916 19.000 -0.161 0.000 0.802 198 A HN 0.320 nan 8.150 nan 0.000 0.467 199 W N 0.843 122.130 121.300 -0.022 0.000 2.381 199 W HA 0.475 5.136 4.660 0.000 0.000 0.329 199 W C 0.510 177.015 176.519 -0.024 0.000 1.157 199 W CA -0.765 56.568 57.345 -0.021 0.000 1.240 199 W CB 0.419 29.868 29.460 -0.018 0.000 1.199 199 W HN 0.162 nan 8.180 nan 0.000 0.579 200 T N -0.622 114.051 114.554 0.198 0.000 2.874 200 T HA 0.252 4.602 4.350 0.000 0.000 0.281 200 T C -1.754 172.986 174.700 0.066 0.000 0.994 200 T CA -1.596 60.556 62.100 0.085 0.000 1.015 200 T CB 1.562 70.446 68.868 0.026 0.000 1.028 200 T HN 0.026 nan 8.240 nan 0.000 0.523 201 P HA -0.132 nan 4.420 nan 0.000 0.217 201 P C 1.665 178.959 177.300 -0.010 0.000 1.151 201 P CA 1.628 64.739 63.100 0.019 0.000 0.849 201 P CB -0.313 31.342 31.700 -0.076 0.000 0.787 202 A N -0.861 121.932 122.820 -0.045 0.000 1.883 202 A HA -0.198 4.122 4.320 0.000 0.000 0.217 202 A C 2.206 179.708 177.584 -0.137 0.000 1.186 202 A CA 1.680 53.676 52.037 -0.068 0.000 0.624 202 A CB -1.599 17.364 19.000 -0.061 0.000 0.822 202 A HN 0.134 nan 8.150 nan 0.000 0.444 203 I N -0.367 120.091 120.570 -0.186 0.000 2.252 203 I HA -0.222 3.949 4.170 0.000 0.000 0.245 203 I C 2.978 178.708 176.117 -0.644 0.000 1.102 203 I CA 0.921 61.993 61.300 -0.379 0.000 1.385 203 I CB -0.372 37.397 38.000 -0.386 0.000 1.064 203 I HN 0.342 nan 8.210 nan 0.000 0.414 204 A N 0.590 123.097 122.820 -0.522 0.000 1.873 204 A HA -0.196 4.125 4.320 0.000 0.000 0.218 204 A C 2.455 179.858 177.584 -0.302 0.000 1.193 204 A CA 2.158 53.918 52.037 -0.461 0.000 0.629 204 A CB -1.136 17.909 19.000 0.075 0.000 0.826 204 A HN 0.236 nan 8.150 nan 0.000 0.447 205 V N 0.070 119.888 119.914 -0.160 0.000 2.332 205 V HA -0.284 3.837 4.120 0.000 0.000 0.248 205 V C 2.575 178.577 176.094 -0.152 0.000 1.055 205 V CA 2.408 64.645 62.300 -0.106 0.000 1.038 205 V CB -0.708 31.092 31.823 -0.038 0.000 0.651 205 V HN 0.788 nan 8.190 nan 0.000 0.450 206 E N 0.086 120.166 120.200 -0.199 0.000 2.047 206 E HA -0.204 4.146 4.350 0.000 0.000 0.191 206 E C 2.320 178.785 176.600 -0.225 0.000 0.987 206 E CA 1.856 58.142 56.400 -0.190 0.000 0.799 206 E CB -0.077 29.513 29.700 -0.184 0.000 0.752 206 E HN 0.465 nan 8.360 nan 0.000 0.449 207 V N 0.486 120.188 119.914 -0.354 0.000 2.358 207 V HA -0.182 3.938 4.120 0.000 0.000 0.246 207 V C 2.176 178.136 176.094 -0.224 0.000 1.047 207 V CA 1.497 63.600 62.300 -0.327 0.000 1.035 207 V CB -0.413 31.152 31.823 -0.429 0.000 0.658 207 V HN 0.291 nan 8.190 nan 0.000 0.452 208 L N 0.667 121.760 121.223 -0.217 0.000 2.217 208 L HA 0.027 4.367 4.340 0.000 0.000 0.211 208 L C 1.983 178.805 176.870 -0.080 0.000 1.107 208 L CA 1.185 55.964 54.840 -0.102 0.000 0.783 208 L CB -0.653 41.382 42.059 -0.040 0.000 0.919 208 L HN 0.390 nan 8.230 nan 0.000 0.442 209 N N -0.966 117.678 118.700 -0.093 0.000 2.398 209 N HA -0.006 4.734 4.740 0.000 0.000 0.188 209 N C 1.305 176.773 175.510 -0.071 0.000 1.122 209 N CA 0.330 53.337 53.050 -0.072 0.000 0.866 209 N CB 0.526 38.973 38.487 -0.066 0.000 0.970 209 N HN 0.093 nan 8.380 nan 0.000 0.462 210 S N -0.548 115.102 115.700 -0.085 0.000 2.540 210 S HA 0.194 4.664 4.470 0.000 0.000 0.218 210 S C 0.508 175.070 174.600 -0.064 0.000 0.977 210 S CA -0.236 57.919 58.200 -0.074 0.000 0.918 210 S CB 1.156 64.304 63.200 -0.088 0.000 0.806 210 S HN -0.066 nan 8.310 nan 0.000 0.496 211 V N 1.602 121.477 119.914 -0.064 0.000 2.604 211 V HA 0.376 4.496 4.120 0.000 0.000 0.305 211 V C 0.567 176.637 176.094 -0.040 0.000 1.043 211 V CA -0.750 61.514 62.300 -0.059 0.000 0.888 211 V CB 2.028 33.800 31.823 -0.085 0.000 0.995 211 V HN 0.133 nan 8.190 nan 0.000 0.429 212 R N 2.667 123.151 120.500 -0.027 0.000 2.200 212 R HA 0.271 4.611 4.340 0.000 0.000 0.208 212 R C 0.901 177.201 176.300 0.000 0.000 1.033 212 R CA 0.646 56.739 56.100 -0.013 0.000 1.000 212 R CB 0.206 30.503 30.300 -0.006 0.000 0.906 212 R HN 0.761 nan 8.270 nan 0.000 0.462 213 A N 1.522 124.346 122.820 0.005 0.000 2.488 213 A HA 0.090 4.410 4.320 0.000 0.000 0.249 213 A C 0.326 177.937 177.584 0.044 0.000 1.083 213 A CA 0.113 52.176 52.037 0.044 0.000 0.768 213 A CB 0.319 19.359 19.000 0.066 0.000 1.017 213 A HN 0.152 nan 8.150 nan 0.000 0.496 214 R N 1.970 122.502 120.500 0.052 0.000 2.700 214 R HA 0.146 4.486 4.340 0.000 0.000 0.377 214 R C -0.796 175.516 176.300 0.020 0.000 1.130 214 R CA -0.217 55.892 56.100 0.016 0.000 1.055 214 R CB -0.157 30.131 30.300 -0.020 0.000 1.387 214 R HN 0.759 nan 8.270 nan 0.000 0.580 215 D N 0.032 120.512 120.400 0.134 0.000 2.357 215 D HA -0.020 4.620 4.640 0.000 0.000 0.242 215 D C 0.211 176.628 176.300 0.195 0.000 1.153 215 D CA -0.088 54.022 54.000 0.183 0.000 0.918 215 D CB 0.869 41.882 40.800 0.354 0.000 1.181 215 D HN -0.058 nan 8.370 nan 0.000 0.435 216 W N 0.569 121.946 121.300 0.129 0.000 2.484 216 W HA -0.055 4.606 4.660 0.000 0.000 0.337 216 W C 0.203 176.814 176.519 0.153 0.000 1.214 216 W CA -0.131 57.278 57.345 0.107 0.000 1.296 216 W CB 0.244 29.746 29.460 0.071 0.000 1.174 216 W HN 0.069 nan 8.180 nan 0.000 0.564 217 I N 3.612 124.442 120.570 0.433 0.000 2.382 217 I HA 0.128 4.298 4.170 0.000 0.000 0.286 217 I C -0.053 176.191 176.117 0.213 0.000 1.002 217 I CA -1.352 60.125 61.300 0.295 0.000 1.135 217 I CB 1.120 39.266 38.000 0.243 0.000 1.288 217 I HN 0.434 nan 8.210 nan 0.000 0.448 218 E N 5.548 125.797 120.200 0.082 0.000 2.167 218 E HA 0.157 4.507 4.350 0.000 0.000 0.284 218 E C -0.196 176.355 176.600 -0.081 0.000 1.016 218 E CA -0.574 55.807 56.400 -0.032 0.000 0.817 218 E CB 0.706 30.326 29.700 -0.134 0.000 1.080 218 E HN 0.485 nan 8.360 nan 0.000 0.397 219 Q N 4.210 123.969 119.800 -0.068 0.000 2.423 219 Q HA -0.163 4.177 4.340 0.000 0.000 0.368 219 Q C -1.969 173.974 176.000 -0.094 0.000 1.371 219 Q CA 0.475 56.226 55.803 -0.086 0.000 1.106 219 Q CB -0.038 28.623 28.738 -0.129 0.000 1.263 219 Q HN 0.474 nan 8.270 nan 0.000 0.325 220 P HA -0.054 nan 4.420 nan 0.000 0.219 220 P C -0.028 177.297 177.300 0.041 0.000 1.150 220 P CA 0.835 63.935 63.100 -0.000 0.000 0.814 220 P CB 0.366 32.226 31.700 0.266 0.000 0.787 221 C N -1.782 117.544 119.300 0.043 0.000 3.028 221 C HA 0.377 4.837 4.460 0.000 0.000 0.338 221 C C 1.994 176.977 174.990 -0.012 0.000 1.366 221 C CA -0.323 58.721 59.018 0.044 0.000 1.610 221 C CB 1.169 28.952 27.740 0.071 0.000 2.063 221 C HN 0.076 nan 8.230 nan 0.000 0.463 222 Q N -0.005 119.788 119.800 -0.011 0.000 2.212 222 Q HA 0.028 4.369 4.340 0.000 0.000 0.199 222 Q C 0.839 176.818 176.000 -0.036 0.000 0.950 222 Q CA 1.129 56.913 55.803 -0.032 0.000 0.863 222 Q CB 0.271 28.996 28.738 -0.021 0.000 0.944 222 Q HN 0.950 nan 8.270 nan 0.000 0.465 223 T N -3.376 111.165 114.554 -0.022 0.000 2.924 223 T HA 0.262 4.612 4.350 0.000 0.000 0.291 223 T C 0.657 175.346 174.700 -0.020 0.000 1.045 223 T CA -0.837 61.252 62.100 -0.020 0.000 1.015 223 T CB 1.293 70.156 68.868 -0.008 0.000 1.103 223 T HN 0.060 nan 8.240 nan 0.000 0.496 224 L N 0.903 122.112 121.223 -0.025 0.000 2.012 224 L HA -0.016 4.324 4.340 0.000 0.000 0.210 224 L C 2.141 179.016 176.870 0.009 0.000 1.073 224 L CA 2.039 56.867 54.840 -0.019 0.000 0.748 224 L CB -1.043 40.999 42.059 -0.027 0.000 0.891 224 L HN 0.846 nan 8.230 nan 0.000 0.431 225 D N -0.775 119.634 120.400 0.014 0.000 2.116 225 D HA -0.257 4.383 4.640 0.000 0.000 0.193 225 D C 2.105 178.434 176.300 0.048 0.000 0.998 225 D CA 1.801 55.818 54.000 0.029 0.000 0.836 225 D CB 0.053 40.863 40.800 0.016 0.000 0.951 225 D HN 0.583 nan 8.370 nan 0.000 0.449 226 Q N -0.482 119.335 119.800 0.027 0.000 2.119 226 Q HA -0.099 4.241 4.340 0.000 0.000 0.201 226 Q C 2.575 178.625 176.000 0.082 0.000 0.972 226 Q CA 0.930 56.752 55.803 0.031 0.000 0.847 226 Q CB 0.010 28.751 28.738 0.005 0.000 0.903 226 Q HN 0.330 nan 8.270 nan 0.000 0.433 227 C N 0.035 119.370 119.300 0.058 0.000 2.440 227 C HA -0.067 4.393 4.460 0.000 0.000 0.278 227 C C 2.808 177.841 174.990 0.072 0.000 1.295 227 C CA 0.767 59.822 59.018 0.062 0.000 1.738 227 C CB -1.009 26.745 27.740 0.024 0.000 1.987 227 C HN 0.612 nan 8.230 nan 0.000 0.492 228 A N -0.479 122.380 122.820 0.065 0.000 1.969 228 A HA -0.212 4.108 4.320 0.000 0.000 0.218 228 A C 1.805 179.428 177.584 0.064 0.000 1.169 228 A CA 2.035 54.104 52.037 0.054 0.000 0.635 228 A CB -0.939 18.086 19.000 0.043 0.000 0.810 228 A HN 0.794 nan 8.150 nan 0.000 0.445 229 H N -0.367 118.707 119.070 0.006 0.000 2.293 229 H HA -0.108 4.448 4.556 0.000 0.000 0.300 229 H C 1.896 177.226 175.328 0.004 0.000 1.082 229 H CA 2.263 58.313 56.048 0.002 0.000 1.308 229 H CB -0.112 29.651 29.762 0.002 0.000 1.375 229 H HN 0.126 nan 8.280 nan 0.000 0.495 230 V N 0.863 120.880 119.914 0.172 0.000 2.287 230 V HA -0.315 3.805 4.120 0.000 0.000 0.248 230 V C 2.736 178.847 176.094 0.028 0.000 1.053 230 V CA 1.795 64.157 62.300 0.104 0.000 1.027 230 V CB -1.294 30.607 31.823 0.130 0.000 0.646 230 V HN 0.715 nan 8.190 nan 0.000 0.447 231 A N -0.246 122.592 122.820 0.029 0.000 1.940 231 A HA -0.239 4.082 4.320 0.000 0.000 0.219 231 A C 2.344 179.914 177.584 -0.024 0.000 1.176 231 A CA 1.761 53.806 52.037 0.012 0.000 0.631 231 A CB -0.544 18.470 19.000 0.024 0.000 0.814 231 A HN 0.511 nan 8.150 nan 0.000 0.446 232 R N -1.042 119.423 120.500 -0.058 0.000 2.241 232 R HA -0.016 4.324 4.340 0.000 0.000 0.224 232 R C 1.568 177.811 176.300 -0.095 0.000 1.101 232 R CA 1.103 57.150 56.100 -0.088 0.000 0.995 232 R CB -0.092 30.129 30.300 -0.132 0.000 0.870 232 R HN 0.467 nan 8.270 nan 0.000 0.463 233 R N -0.121 120.324 120.500 -0.091 0.000 2.446 233 R HA 0.122 4.463 4.340 0.000 0.000 0.254 233 R C 0.415 176.684 176.300 -0.052 0.000 0.918 233 R CA 0.170 56.219 56.100 -0.084 0.000 1.069 233 R CB 1.214 31.450 30.300 -0.106 0.000 1.194 233 R HN 0.014 nan 8.270 nan 0.000 0.534 234 V N -4.158 115.734 119.914 -0.036 0.000 3.155 234 V HA 0.782 4.902 4.120 0.000 0.000 0.313 234 V C 0.170 176.249 176.094 -0.025 0.000 1.162 234 V CA -0.680 61.604 62.300 -0.026 0.000 1.048 234 V CB 1.890 33.709 31.823 -0.008 0.000 1.092 234 V HN -0.082 nan 8.190 nan 0.000 0.447 235 A N 0.635 123.440 122.820 -0.024 0.000 2.390 235 A HA 0.466 4.786 4.320 0.000 0.000 0.232 235 A C 0.613 178.174 177.584 -0.039 0.000 1.233 235 A CA -0.186 51.832 52.037 -0.032 0.000 0.907 235 A CB -0.852 18.129 19.000 -0.032 0.000 0.967 235 A HN 0.893 nan 8.150 nan 0.000 0.512 236 N N 1.270 119.955 118.700 -0.025 0.000 2.524 236 N HA 0.445 5.185 4.740 0.000 0.000 0.283 236 N C -2.974 172.490 175.510 -0.076 0.000 1.142 236 N CA -1.276 51.752 53.050 -0.036 0.000 0.984 236 N CB 0.405 38.910 38.487 0.030 0.000 1.155 236 N HN 0.012 nan 8.380 nan 0.000 0.467 237 P HA 0.093 nan 4.420 nan 0.000 0.268 237 P C -0.699 176.584 177.300 -0.028 0.000 1.204 237 P CA 0.268 63.165 63.100 -0.339 0.000 0.768 237 P CB 0.470 31.538 31.700 -1.054 0.000 0.842 238 I N 3.823 124.474 120.570 0.134 0.000 2.378 238 I HA 0.390 4.560 4.170 0.000 0.000 0.291 238 I C 0.144 176.497 176.117 0.394 0.000 0.992 238 I CA -0.816 60.636 61.300 0.253 0.000 1.154 238 I CB 1.167 39.241 38.000 0.124 0.000 1.315 238 I HN 0.366 nan 8.210 nan 0.000 0.448 239 M N 7.893 127.689 119.600 0.326 0.000 2.149 239 M HA 0.507 4.987 4.480 0.000 0.000 0.342 239 M C -1.422 174.836 176.300 -0.070 0.000 1.068 239 M CA 0.031 55.350 55.300 0.031 0.000 0.991 239 M CB 0.950 33.434 32.600 -0.193 0.000 1.596 239 M HN 0.412 nan 8.290 nan 0.000 0.439 240 L N 3.754 124.884 121.223 -0.156 0.000 2.375 240 L HA 0.566 4.906 4.340 0.000 0.000 0.268 240 L C -0.131 176.623 176.870 -0.193 0.000 1.058 240 L CA -0.385 54.350 54.840 -0.175 0.000 0.803 240 L CB 1.494 43.428 42.059 -0.209 0.000 1.212 240 L HN 0.830 nan 8.230 nan 0.000 0.451 241 D N -0.697 119.590 120.400 -0.188 0.000 2.519 241 D HA -0.022 4.619 4.640 0.000 0.000 0.114 241 D C 1.186 177.355 176.300 -0.218 0.000 1.463 241 D CA 0.066 53.961 54.000 -0.175 0.000 1.454 241 D CB 0.152 40.854 40.800 -0.164 0.000 2.156 241 D HN 0.453 nan 8.370 nan 0.000 0.210 242 E N -0.023 120.031 120.200 -0.244 0.000 2.274 242 E HA 0.001 4.351 4.350 0.000 0.000 0.194 242 E C 2.028 178.373 176.600 -0.425 0.000 0.996 242 E CA 1.057 57.261 56.400 -0.327 0.000 0.840 242 E CB -0.227 29.256 29.700 -0.363 0.000 0.772 242 E HN 0.521 nan 8.360 nan 0.000 0.491 243 C N -0.460 118.631 119.300 -0.350 0.000 2.522 243 C HA 0.227 4.687 4.460 0.000 0.000 0.271 243 C C 0.805 175.502 174.990 -0.488 0.000 1.425 243 C CA -0.666 58.144 59.018 -0.346 0.000 1.751 243 C CB -1.295 26.340 27.740 -0.176 0.000 1.775 243 C HN 0.082 nan 8.230 nan 0.000 0.557 244 L N 2.024 122.927 121.223 -0.534 0.000 2.314 244 L HA 0.348 4.688 4.340 0.000 0.000 0.275 244 L C 1.163 177.845 176.870 -0.312 0.000 1.068 244 L CA -0.128 54.431 54.840 -0.468 0.000 0.894 244 L CB -0.073 41.633 42.059 -0.589 0.000 1.275 244 L HN 0.338 nan 8.230 nan 0.000 0.432 245 H N 1.346 120.416 119.070 0.000 0.000 2.520 245 H HA 0.164 4.721 4.556 0.000 0.000 0.279 245 H C 0.238 175.651 175.328 0.142 0.000 0.990 245 H CA 0.428 56.515 56.048 0.065 0.000 1.288 245 H CB 0.894 30.673 29.762 0.028 0.000 1.446 245 H HN 0.646 nan 8.280 nan 0.000 0.538 246 E N -1.129 119.235 120.200 0.274 0.000 2.458 246 E HA 0.069 4.420 4.350 0.000 0.000 0.278 246 E C -0.100 176.736 176.600 0.392 0.000 1.004 246 E CA -0.842 55.733 56.400 0.290 0.000 0.823 246 E CB 0.703 30.530 29.700 0.213 0.000 1.396 246 E HN -0.111 nan 8.360 nan 0.000 0.463 247 F N 2.030 122.080 119.950 0.166 0.000 2.161 247 F HA -0.212 4.315 4.527 0.000 0.000 0.300 247 F C 2.303 178.166 175.800 0.105 0.000 1.089 247 F CA 2.474 60.531 58.000 0.096 0.000 1.282 247 F CB -0.126 38.846 39.000 -0.046 0.000 1.010 247 F HN 0.546 nan 8.300 nan 0.000 0.485 248 S N -0.652 115.071 115.700 0.039 0.000 2.419 248 S HA -0.187 4.283 4.470 0.000 0.000 0.233 248 S C 1.672 176.236 174.600 -0.060 0.000 1.016 248 S CA 1.305 59.466 58.200 -0.065 0.000 0.974 248 S CB -0.708 62.520 63.200 0.045 0.000 0.786 248 S HN 0.442 nan 8.310 nan 0.000 0.492 249 D N 1.363 121.763 120.400 -0.000 0.000 2.178 249 D HA -0.046 4.594 4.640 0.000 0.000 0.202 249 D C 1.652 177.887 176.300 -0.109 0.000 0.974 249 D CA 1.290 55.256 54.000 -0.056 0.000 0.841 249 D CB -0.434 40.309 40.800 -0.094 0.000 0.953 249 D HN 0.617 nan 8.370 nan 0.000 0.478 250 H N -0.118 118.909 119.070 -0.071 0.000 2.372 250 H HA 0.039 4.595 4.556 0.000 0.000 0.301 250 H C 1.893 177.269 175.328 0.080 0.000 1.065 250 H CA 0.324 56.425 56.048 0.088 0.000 1.364 250 H CB -0.191 29.609 29.762 0.062 0.000 1.406 250 H HN -0.034 nan 8.280 nan 0.000 0.521 251 L N 0.709 121.754 121.223 -0.296 0.000 2.043 251 L HA -0.202 4.138 4.340 0.000 0.000 0.212 251 L C 2.429 179.401 176.870 0.169 0.000 1.075 251 L CA 1.833 56.548 54.840 -0.208 0.000 0.752 251 L CB -0.994 40.812 42.059 -0.423 0.000 0.891 251 L HN 0.348 nan 8.230 nan 0.000 0.432 252 A N -1.180 121.694 122.820 0.090 0.000 1.877 252 A HA -0.131 4.189 4.320 0.000 0.000 0.216 252 A C 2.456 180.136 177.584 0.160 0.000 1.186 252 A CA 1.807 53.910 52.037 0.110 0.000 0.620 252 A CB -1.012 18.017 19.000 0.047 0.000 0.822 252 A HN 0.451 nan 8.150 nan 0.000 0.443 253 A N -1.461 121.480 122.820 0.201 0.000 1.908 253 A HA -0.180 4.141 4.320 0.000 0.000 0.218 253 A C 1.997 179.827 177.584 0.409 0.000 1.181 253 A CA 1.667 53.849 52.037 0.242 0.000 0.627 253 A CB -0.933 18.182 19.000 0.192 0.000 0.818 253 A HN 0.896 nan 8.150 nan 0.000 0.445 254 W N 1.862 123.424 121.300 0.437 0.000 2.355 254 W HA -0.236 4.424 4.660 0.000 0.000 0.309 254 W C 2.591 179.236 176.519 0.209 0.000 1.206 254 W CA 2.733 60.319 57.345 0.402 0.000 1.284 254 W CB -0.399 29.281 29.460 0.366 0.000 1.145 254 W HN 0.395 nan 8.180 nan 0.000 0.502 255 S N 0.155 115.853 115.700 -0.003 0.000 2.453 255 S HA -0.068 4.402 4.470 0.000 0.000 0.231 255 S C 1.693 176.162 174.600 -0.219 0.000 1.005 255 S CA 0.984 58.988 58.200 -0.328 0.000 0.949 255 S CB -0.459 62.744 63.200 0.004 0.000 0.774 255 S HN 0.409 nan 8.310 nan 0.000 0.510 256 R N 0.919 121.373 120.500 -0.077 0.000 2.240 256 R HA 0.246 4.586 4.340 0.000 0.000 0.203 256 R C 1.418 177.679 176.300 -0.066 0.000 1.011 256 R CA 0.434 56.503 56.100 -0.051 0.000 1.007 256 R CB -0.428 29.875 30.300 0.006 0.000 0.911 256 R HN 0.556 nan 8.270 nan 0.000 0.468 257 G N 0.555 109.304 108.800 -0.086 0.000 2.246 257 G HA2 -0.318 3.643 3.960 0.000 0.000 0.273 257 G HA3 -0.318 3.643 3.960 0.000 0.000 0.273 257 G C 0.677 175.599 174.900 0.036 0.000 1.055 257 G CA 0.288 45.364 45.100 -0.039 0.000 0.851 257 G HN 0.446 nan 8.290 nan 0.000 0.500 258 A N -1.452 121.412 122.820 0.073 0.000 2.119 258 A HA 0.492 4.813 4.320 0.000 0.000 0.216 258 A C 1.639 179.258 177.584 0.058 0.000 1.152 258 A CA 1.953 54.023 52.037 0.056 0.000 0.708 258 A CB -0.282 18.747 19.000 0.049 0.000 0.805 258 A HN 2.204 nan 8.150 nan 0.000 0.460 259 C N -4.142 115.214 119.300 0.094 0.000 3.311 259 C HA 0.815 5.275 4.460 0.000 0.000 0.325 259 C C -0.045 175.029 174.990 0.140 0.000 1.352 259 C CA -0.551 58.502 59.018 0.058 0.000 1.308 259 C CB 1.108 28.784 27.740 -0.106 0.000 1.619 259 C HN 0.227 nan 8.230 nan 0.000 0.469 260 E N 0.141 120.441 120.200 0.165 0.000 2.562 260 E HA 0.484 4.834 4.350 0.000 0.000 0.214 260 E C 0.568 177.370 176.600 0.338 0.000 0.979 260 E CA 0.741 57.312 56.400 0.285 0.000 1.002 260 E CB 1.374 31.179 29.700 0.176 0.000 1.048 260 E HN 1.125 nan 8.360 nan 0.000 0.488 261 G N 0.105 108.943 108.800 0.065 0.000 2.720 261 G HA2 0.530 4.490 3.960 0.000 0.000 0.295 261 G HA3 0.530 4.490 3.960 0.000 0.000 0.295 261 G C -1.308 173.316 174.900 -0.460 0.000 1.437 261 G CA -0.496 44.503 45.100 -0.168 0.000 0.886 261 G HN 0.173 nan 8.290 nan 0.000 0.509 262 V N -1.791 117.868 119.914 -0.425 0.000 2.914 262 V HA 0.765 4.885 4.120 0.000 0.000 0.314 262 V C -0.452 175.561 176.094 -0.135 0.000 1.084 262 V CA -1.445 60.669 62.300 -0.311 0.000 0.963 262 V CB 2.001 33.638 31.823 -0.311 0.000 1.025 262 V HN 0.701 nan 8.190 nan 0.000 0.432 263 K N 3.162 123.507 120.400 -0.092 0.000 2.205 263 K HA 0.644 4.964 4.320 0.000 0.000 0.279 263 K C -0.993 175.632 176.600 0.041 0.000 1.027 263 K CA -0.320 55.958 56.287 -0.015 0.000 0.932 263 K CB 1.581 34.045 32.500 -0.061 0.000 1.032 263 K HN 0.676 nan 8.250 nan 0.000 0.466 264 I N 3.092 123.706 120.570 0.073 0.000 2.362 264 I HA 0.274 4.444 4.170 0.000 0.000 0.289 264 I C -0.368 175.804 176.117 0.092 0.000 0.994 264 I CA -0.624 60.737 61.300 0.101 0.000 1.158 264 I CB 1.281 39.342 38.000 0.102 0.000 1.315 264 I HN 0.295 nan 8.210 nan 0.000 0.451 265 K N 7.007 127.470 120.400 0.104 0.000 2.579 265 K HA 0.334 4.654 4.320 0.000 0.000 0.250 265 K C -2.192 174.487 176.600 0.131 0.000 0.952 265 K CA -1.533 54.824 56.287 0.118 0.000 0.857 265 K CB 2.392 34.966 32.500 0.122 0.000 1.123 265 K HN 0.141 nan 8.250 nan 0.000 0.433 266 P HA -0.244 nan 4.420 nan 0.000 0.216 266 P C 0.817 178.211 177.300 0.156 0.000 1.153 266 P CA 1.253 64.425 63.100 0.120 0.000 0.858 266 P CB 0.225 31.984 31.700 0.098 0.000 0.789 267 N N -0.835 117.976 118.700 0.186 0.000 2.381 267 N HA -0.150 4.591 4.740 0.000 0.000 0.182 267 N C 1.916 177.574 175.510 0.247 0.000 1.025 267 N CA 0.580 53.769 53.050 0.231 0.000 0.888 267 N CB -0.031 38.614 38.487 0.263 0.000 0.965 267 N HN 0.051 nan 8.380 nan 0.000 0.438 268 R N 0.601 121.227 120.500 0.210 0.000 2.075 268 R HA -0.038 4.302 4.340 0.000 0.000 0.226 268 R C 2.046 178.472 176.300 0.211 0.000 1.114 268 R CA 1.218 57.439 56.100 0.201 0.000 0.972 268 R CB 0.095 30.475 30.300 0.134 0.000 0.869 268 R HN 0.157 nan 8.270 nan 0.000 0.437 269 V N -3.552 116.473 119.914 0.186 0.000 3.590 269 V HA 0.438 4.559 4.120 0.000 0.000 0.265 269 V C 0.836 177.027 176.094 0.161 0.000 1.239 269 V CA 0.609 63.019 62.300 0.183 0.000 1.117 269 V CB 0.575 32.499 31.823 0.169 0.000 0.818 269 V HN 0.429 nan 8.190 nan 0.000 0.451 270 G N -1.287 107.608 108.800 0.158 0.000 2.145 270 G HA2 0.393 4.354 3.960 0.000 0.000 0.176 270 G HA3 0.393 4.354 3.960 0.000 0.000 0.176 270 G C 0.810 175.784 174.900 0.123 0.000 1.013 270 G CA -0.050 45.133 45.100 0.138 0.000 0.689 270 G HN 2.237 nan 8.290 nan 0.000 0.506 271 G N -1.895 106.978 108.800 0.121 0.000 2.373 271 G HA2 0.249 4.209 3.960 0.000 0.000 0.634 271 G HA3 0.249 4.209 3.960 0.000 0.000 0.634 271 G C 0.250 175.192 174.900 0.070 0.000 1.267 271 G CA 0.025 45.192 45.100 0.112 0.000 1.008 271 G HN 1.084 nan 8.290 nan 0.000 0.497 272 L N 0.433 121.670 121.223 0.024 0.000 2.162 272 L HA 0.195 4.535 4.340 0.000 0.000 0.205 272 L C 3.174 180.011 176.870 -0.055 0.000 1.086 272 L CA 2.963 57.694 54.840 -0.182 0.000 0.778 272 L CB -1.174 40.475 42.059 -0.682 0.000 0.928 272 L HN 0.779 nan 8.230 nan 0.000 0.446 273 T N -0.567 114.150 114.554 0.272 0.000 2.708 273 T HA -0.159 4.191 4.350 0.000 0.000 0.266 273 T C 2.030 176.816 174.700 0.143 0.000 1.037 273 T CA 1.099 63.407 62.100 0.347 0.000 1.146 273 T CB -0.041 69.041 68.868 0.357 0.000 0.865 273 T HN 0.186 nan 8.240 nan 0.000 0.435 274 R N 1.138 121.701 120.500 0.105 0.000 2.092 274 R HA 0.168 4.508 4.340 0.000 0.000 0.231 274 R C 2.739 179.066 176.300 0.044 0.000 1.119 274 R CA 1.243 57.380 56.100 0.061 0.000 0.970 274 R CB -0.991 29.359 30.300 0.083 0.000 0.864 274 R HN 0.433 nan 8.270 nan 0.000 0.440 275 A N 1.431 124.278 122.820 0.044 0.000 1.930 275 A HA -0.144 4.176 4.320 0.000 0.000 0.217 275 A C 2.267 179.863 177.584 0.020 0.000 1.175 275 A CA 1.096 53.152 52.037 0.031 0.000 0.627 275 A CB -0.434 18.580 19.000 0.023 0.000 0.815 275 A HN 0.143 nan 8.150 nan 0.000 0.443 276 R N -0.307 120.194 120.500 0.001 0.000 2.081 276 R HA -0.175 4.165 4.340 0.000 0.000 0.235 276 R C 2.347 178.667 176.300 0.033 0.000 1.131 276 R CA 1.845 57.950 56.100 0.009 0.000 0.960 276 R CB -0.425 29.878 30.300 0.006 0.000 0.856 276 R HN 0.742 nan 8.270 nan 0.000 0.436 277 Q N 0.409 120.215 119.800 0.010 0.000 2.096 277 Q HA -0.168 4.173 4.340 0.000 0.000 0.204 277 Q C 2.205 178.239 176.000 0.057 0.000 0.982 277 Q CA 1.846 57.624 55.803 -0.041 0.000 0.850 277 Q CB -0.109 28.510 28.738 -0.198 0.000 0.901 277 Q HN 0.426 nan 8.270 nan 0.000 0.422 278 I N 0.365 120.989 120.570 0.091 0.000 2.226 278 I HA -0.299 3.872 4.170 0.000 0.000 0.245 278 I C 2.797 179.053 176.117 0.233 0.000 1.100 278 I CA 0.949 62.349 61.300 0.166 0.000 1.374 278 I CB -0.419 37.536 38.000 -0.074 0.000 1.057 278 I HN 0.193 nan 8.210 nan 0.000 0.413 279 R N 1.158 121.746 120.500 0.146 0.000 2.083 279 R HA -0.210 4.130 4.340 0.000 0.000 0.237 279 R C 1.726 178.101 176.300 0.125 0.000 1.137 279 R CA 2.211 58.393 56.100 0.136 0.000 0.951 279 R CB -0.572 29.776 30.300 0.079 0.000 0.851 279 R HN 0.315 nan 8.270 nan 0.000 0.434 280 D N -0.300 120.163 120.400 0.105 0.000 2.144 280 D HA -0.154 4.486 4.640 0.000 0.000 0.199 280 D C 1.636 177.979 176.300 0.072 0.000 0.984 280 D CA 0.910 54.953 54.000 0.072 0.000 0.834 280 D CB -0.459 40.375 40.800 0.056 0.000 0.955 280 D HN 0.226 nan 8.370 nan 0.000 0.465 281 F N 1.395 121.345 119.950 -0.000 0.000 2.095 281 F HA -0.125 4.402 4.527 0.000 0.000 0.298 281 F C 2.277 177.958 175.800 -0.199 0.000 1.104 281 F CA 1.983 59.943 58.000 -0.066 0.000 1.232 281 F CB -0.322 38.734 39.000 0.093 0.000 0.987 281 F HN -0.013 nan 8.300 nan 0.000 0.475 282 G N -0.048 108.720 108.800 -0.053 0.000 2.440 282 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 282 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 282 G C 1.704 176.526 174.900 -0.129 0.000 1.154 282 G CA 1.190 46.260 45.100 -0.050 0.000 0.767 282 G HN 0.350 nan 8.290 nan 0.000 0.552 283 V N 1.207 121.083 119.914 -0.063 0.000 2.287 283 V HA -0.208 3.913 4.120 0.000 0.000 0.248 283 V C 3.118 179.119 176.094 -0.154 0.000 1.053 283 V CA 2.312 64.574 62.300 -0.063 0.000 1.027 283 V CB -0.633 31.177 31.823 -0.020 0.000 0.646 283 V HN 0.381 nan 8.190 nan 0.000 0.447 284 S N 0.239 115.788 115.700 -0.251 0.000 2.399 284 S HA -0.127 4.343 4.470 0.000 0.000 0.231 284 S C 1.719 176.084 174.600 -0.391 0.000 1.022 284 S CA 1.632 59.653 58.200 -0.298 0.000 0.983 284 S CB -0.094 62.911 63.200 -0.325 0.000 0.803 284 S HN 0.661 nan 8.310 nan 0.000 0.480 285 V N -2.244 117.314 119.914 -0.594 0.000 3.578 285 V HA 0.644 4.764 4.120 0.000 0.000 0.290 285 V C 1.050 176.967 176.094 -0.296 0.000 1.376 285 V CA 0.272 62.230 62.300 -0.570 0.000 1.083 285 V CB -0.540 30.624 31.823 -1.098 0.000 0.911 285 V HN 0.451 nan 8.190 nan 0.000 0.433 286 G N -0.776 107.910 108.800 -0.190 0.000 2.149 286 G HA2 -0.241 3.719 3.960 0.000 0.000 0.235 286 G HA3 -0.241 3.719 3.960 0.000 0.000 0.235 286 G C -0.343 174.667 174.900 0.184 0.000 1.018 286 G CA 0.053 45.156 45.100 0.005 0.000 0.728 286 G HN 0.486 nan 8.290 nan 0.000 0.508 287 W N 0.645 121.967 121.300 0.037 0.000 2.170 287 W HA 0.549 5.209 4.660 0.000 0.000 0.336 287 W C 0.883 177.448 176.519 0.076 0.000 1.283 287 W CA -0.597 56.802 57.345 0.089 0.000 1.224 287 W CB 0.372 29.888 29.460 0.094 0.000 1.132 287 W HN 0.261 nan 8.180 nan 0.000 0.571 288 Q N 1.981 121.976 119.800 0.324 0.000 2.274 288 Q HA 0.600 4.940 4.340 0.000 0.000 0.260 288 Q C -0.548 175.429 176.000 -0.039 0.000 0.974 288 Q CA -0.639 55.250 55.803 0.144 0.000 0.876 288 Q CB 2.066 30.930 28.738 0.210 0.000 1.297 288 Q HN 0.295 nan 8.270 nan 0.000 0.446 289 M N 2.013 121.539 119.600 -0.124 0.000 2.326 289 M HA 0.346 4.826 4.480 0.000 0.000 0.292 289 M C -1.234 174.911 176.300 -0.258 0.000 1.081 289 M CA -0.628 54.592 55.300 -0.134 0.000 0.919 289 M CB 2.101 34.718 32.600 0.028 0.000 1.634 289 M HN 0.484 nan 8.290 nan 0.000 0.451 290 H N 4.293 123.283 119.070 -0.135 0.000 2.562 290 H HA 0.498 5.055 4.556 0.000 0.000 0.314 290 H C -0.856 174.447 175.328 -0.041 0.000 1.079 290 H CA 0.072 56.057 56.048 -0.105 0.000 1.349 290 H CB 1.246 30.914 29.762 -0.157 0.000 1.432 290 H HN 0.574 nan 8.280 nan 0.000 0.479 291 I N 4.245 124.873 120.570 0.096 0.000 2.411 291 I HA 0.197 4.368 4.170 0.000 0.000 0.284 291 I C -0.040 176.136 176.117 0.098 0.000 1.012 291 I CA -0.307 61.042 61.300 0.083 0.000 1.119 291 I CB 1.194 39.228 38.000 0.056 0.000 1.261 291 I HN 0.665 nan 8.210 nan 0.000 0.448 292 E N 3.925 124.194 120.200 0.115 0.000 2.449 292 E HA 0.485 4.835 4.350 0.000 0.000 0.278 292 E C -1.859 174.840 176.600 0.165 0.000 1.059 292 E CA -0.885 55.608 56.400 0.155 0.000 0.854 292 E CB 2.133 31.966 29.700 0.221 0.000 1.465 292 E HN 0.217 nan 8.360 nan 0.000 0.462 293 D N -0.705 119.823 120.400 0.214 0.000 2.506 293 D HA 0.334 4.974 4.640 0.000 0.000 0.254 293 D C 0.838 177.316 176.300 0.296 0.000 1.089 293 D CA -0.870 53.265 54.000 0.225 0.000 1.050 293 D CB 2.253 43.175 40.800 0.203 0.000 1.221 293 D HN 0.216 nan 8.370 nan 0.000 0.589 294 V N -0.304 119.775 119.914 0.276 0.000 2.548 294 V HA 0.283 4.403 4.120 0.000 0.000 0.249 294 V C 1.255 177.574 176.094 0.376 0.000 1.055 294 V CA 1.630 64.083 62.300 0.255 0.000 1.065 294 V CB -0.528 31.488 31.823 0.322 0.000 0.681 294 V HN 0.689 nan 8.190 nan 0.000 0.462 295 G N -2.865 106.225 108.800 0.483 0.000 2.342 295 G HA2 0.584 4.544 3.960 0.000 0.000 0.297 295 G HA3 0.584 4.544 3.960 0.000 0.000 0.297 295 G C -0.322 174.818 174.900 0.400 0.000 1.313 295 G CA 0.129 45.598 45.100 0.615 0.000 0.830 295 G HN 1.013 nan 8.290 nan 0.000 0.506 296 G N -1.669 107.344 108.800 0.355 0.000 2.472 296 G HA2 0.467 4.427 3.960 0.000 0.000 0.205 296 G HA3 0.467 4.427 3.960 0.000 0.000 0.205 296 G C 0.474 175.502 174.900 0.214 0.000 1.270 296 G CA 0.564 45.818 45.100 0.256 0.000 0.974 296 G HN 2.458 nan 8.290 nan 0.000 0.542 297 T N -1.842 112.843 114.554 0.220 0.000 2.770 297 T HA 0.678 5.028 4.350 0.000 0.000 0.281 297 T C 1.916 176.714 174.700 0.163 0.000 0.981 297 T CA 0.930 63.144 62.100 0.189 0.000 0.955 297 T CB 1.232 70.230 68.868 0.218 0.000 1.060 297 T HN 2.254 nan 8.240 nan 0.000 0.531 298 A N -0.046 122.795 122.820 0.036 0.000 2.178 298 A HA 0.076 4.396 4.320 0.000 0.000 0.218 298 A C 2.017 179.600 177.584 -0.001 0.000 1.157 298 A CA 0.962 52.959 52.037 -0.066 0.000 0.689 298 A CB -1.024 17.697 19.000 -0.465 0.000 0.787 298 A HN 0.764 nan 8.150 nan 0.000 0.465 299 L N -0.351 120.885 121.223 0.021 0.000 2.007 299 L HA 0.016 4.356 4.340 0.000 0.000 0.205 299 L C 2.698 179.583 176.870 0.025 0.000 1.073 299 L CA 2.226 57.050 54.840 -0.025 0.000 0.744 299 L CB -1.050 40.897 42.059 -0.187 0.000 0.898 299 L HN 0.302 nan 8.230 nan 0.000 0.435 300 A N -0.788 122.070 122.820 0.063 0.000 1.908 300 A HA -0.236 4.085 4.320 0.000 0.000 0.218 300 A C 1.997 179.648 177.584 0.111 0.000 1.181 300 A CA 1.942 54.041 52.037 0.104 0.000 0.627 300 A CB -0.924 18.167 19.000 0.151 0.000 0.818 300 A HN 0.569 nan 8.150 nan 0.000 0.445 301 D N -0.592 119.879 120.400 0.118 0.000 2.149 301 D HA -0.097 4.544 4.640 0.000 0.000 0.198 301 D C 1.961 178.310 176.300 0.082 0.000 0.990 301 D CA 1.845 55.910 54.000 0.108 0.000 0.839 301 D CB -0.538 40.364 40.800 0.169 0.000 0.948 301 D HN 0.434 nan 8.370 nan 0.000 0.460 302 T N 0.602 115.201 114.554 0.075 0.000 2.812 302 T HA -0.031 4.319 4.350 0.000 0.000 0.264 302 T C 2.057 176.843 174.700 0.143 0.000 1.042 302 T CA 1.209 63.344 62.100 0.060 0.000 1.140 302 T CB -0.216 68.692 68.868 0.067 0.000 0.870 302 T HN 0.173 nan 8.240 nan 0.000 0.445 303 A N 1.695 124.611 122.820 0.159 0.000 1.892 303 A HA 0.026 4.346 4.320 0.000 0.000 0.218 303 A C 2.604 180.257 177.584 0.115 0.000 1.188 303 A CA 2.047 54.178 52.037 0.156 0.000 0.631 303 A CB -1.123 17.929 19.000 0.087 0.000 0.822 303 A HN 0.520 nan 8.150 nan 0.000 0.447 304 A N -1.350 121.523 122.820 0.089 0.000 2.014 304 A HA 0.145 4.465 4.320 0.000 0.000 0.218 304 A C 2.084 179.705 177.584 0.062 0.000 1.163 304 A CA 1.341 53.420 52.037 0.070 0.000 0.652 304 A CB -0.435 18.617 19.000 0.086 0.000 0.808 304 A HN 0.490 nan 8.150 nan 0.000 0.449 305 L N -1.114 120.135 121.223 0.044 0.000 2.217 305 L HA -0.103 4.237 4.340 0.000 0.000 0.211 305 L C 2.374 179.230 176.870 -0.024 0.000 1.107 305 L CA 1.182 56.016 54.840 -0.010 0.000 0.783 305 L CB -0.385 41.640 42.059 -0.056 0.000 0.919 305 L HN 0.456 nan 8.230 nan 0.000 0.442 306 H N -1.304 117.802 119.070 0.061 0.000 2.353 306 H HA -0.167 4.389 4.556 0.000 0.000 0.300 306 H C 2.100 177.468 175.328 0.067 0.000 1.090 306 H CA 1.917 58.031 56.048 0.110 0.000 1.327 306 H CB 0.017 29.831 29.762 0.087 0.000 1.383 306 H HN 0.259 nan 8.280 nan 0.000 0.508 307 L N 0.702 121.997 121.223 0.120 0.000 2.072 307 L HA -0.028 4.312 4.340 0.000 0.000 0.205 307 L C 2.640 179.540 176.870 0.050 0.000 1.079 307 L CA 1.615 56.482 54.840 0.046 0.000 0.752 307 L CB -0.802 41.254 42.059 -0.005 0.000 0.906 307 L HN 0.157 nan 8.230 nan 0.000 0.436 308 A N -0.476 122.369 122.820 0.041 0.000 1.892 308 A HA -0.216 4.104 4.320 0.000 0.000 0.218 308 A C 2.415 180.003 177.584 0.007 0.000 1.188 308 A CA 2.113 54.163 52.037 0.021 0.000 0.631 308 A CB -1.187 17.822 19.000 0.014 0.000 0.822 308 A HN 0.543 nan 8.150 nan 0.000 0.447 309 A N -0.046 122.774 122.820 0.001 0.000 1.968 309 A HA 0.006 4.326 4.320 0.000 0.000 0.217 309 A C 2.344 179.930 177.584 0.003 0.000 1.169 309 A CA 1.943 53.955 52.037 -0.042 0.000 0.638 309 A CB -0.766 18.158 19.000 -0.126 0.000 0.812 309 A HN 1.023 nan 8.150 nan 0.000 0.446 310 S N -0.993 114.759 115.700 0.087 0.000 2.607 310 S HA 0.048 4.518 4.470 0.000 0.000 0.224 310 S C 0.614 175.257 174.600 0.071 0.000 0.969 310 S CA 0.554 58.827 58.200 0.122 0.000 0.927 310 S CB -0.613 62.693 63.200 0.176 0.000 0.772 310 S HN 0.309 nan 8.310 nan 0.000 0.533 311 T N 4.923 119.504 114.554 0.044 0.000 2.817 311 T HA 0.396 4.747 4.350 0.000 0.000 0.293 311 T C -2.666 172.047 174.700 0.021 0.000 0.964 311 T CA -1.201 60.919 62.100 0.034 0.000 1.085 311 T CB 0.973 69.858 68.868 0.028 0.000 0.921 311 T HN 0.133 nan 8.240 nan 0.000 0.502 312 P HA 0.008 nan 4.420 nan 0.000 0.264 312 P C 0.809 178.114 177.300 0.008 0.000 1.179 312 P CA 0.134 63.243 63.100 0.016 0.000 0.763 312 P CB 0.572 32.283 31.700 0.018 0.000 0.806 313 E N 4.086 124.287 120.200 0.001 0.000 2.130 313 E HA -0.247 4.103 4.350 0.000 0.000 0.196 313 E C 1.739 178.341 176.600 0.004 0.000 0.998 313 E CA 2.104 58.501 56.400 -0.005 0.000 0.806 313 E CB -0.791 28.903 29.700 -0.009 0.000 0.738 313 E HN 0.445 nan 8.360 nan 0.000 0.459 314 A N -0.098 122.730 122.820 0.013 0.000 2.067 314 A HA -0.107 4.213 4.320 0.000 0.000 0.219 314 A C 1.596 179.204 177.584 0.039 0.000 1.158 314 A CA 1.565 53.617 52.037 0.026 0.000 0.661 314 A CB -0.451 18.565 19.000 0.027 0.000 0.801 314 A HN 0.419 nan 8.150 nan 0.000 0.452 315 N N -1.570 117.150 118.700 0.033 0.000 2.282 315 N HA 0.095 4.835 4.740 0.000 0.000 0.185 315 N C 0.712 176.229 175.510 0.012 0.000 1.099 315 N CA -0.088 52.990 53.050 0.047 0.000 0.878 315 N CB 0.321 38.842 38.487 0.057 0.000 0.993 315 N HN 0.304 nan 8.380 nan 0.000 0.481 316 R N 1.510 122.003 120.500 -0.012 0.000 2.254 316 R HA 0.365 4.705 4.340 0.000 0.000 0.318 316 R C -0.762 175.482 176.300 -0.093 0.000 1.031 316 R CA -0.167 55.905 56.100 -0.047 0.000 0.905 316 R CB 0.473 30.755 30.300 -0.029 0.000 1.050 316 R HN 0.048 nan 8.270 nan 0.000 0.456 317 L N 2.092 123.196 121.223 -0.198 0.000 2.491 317 L HA 0.584 4.924 4.340 0.000 0.000 0.264 317 L C 0.295 177.078 176.870 -0.145 0.000 1.053 317 L CA -1.242 53.436 54.840 -0.270 0.000 0.858 317 L CB 0.775 42.426 42.059 -0.680 0.000 1.519 317 L HN 0.663 nan 8.230 nan 0.000 0.508 318 A N 0.148 122.946 122.820 -0.037 0.000 2.483 318 A HA 0.365 4.685 4.320 0.000 0.000 0.238 318 A C 0.003 177.707 177.584 0.200 0.000 1.070 318 A CA 0.053 52.147 52.037 0.094 0.000 0.770 318 A CB 0.008 19.071 19.000 0.104 0.000 1.008 318 A HN 0.553 nan 8.150 nan 0.000 0.497 319 S N -0.217 115.557 115.700 0.123 0.000 2.654 319 S HA 0.499 4.969 4.470 0.000 0.000 0.283 319 S C -0.739 173.964 174.600 0.171 0.000 1.180 319 S CA -0.202 58.081 58.200 0.138 0.000 1.021 319 S CB 0.817 64.064 63.200 0.078 0.000 1.018 319 S HN 0.719 nan 8.310 nan 0.000 0.532 320 W N 2.547 123.822 121.300 -0.042 0.000 2.551 320 W HA 0.622 5.283 4.660 0.000 0.000 0.330 320 W C -1.894 174.598 176.519 -0.044 0.000 1.063 320 W CA -0.776 56.528 57.345 -0.069 0.000 1.222 320 W CB 0.588 29.960 29.460 -0.147 0.000 1.349 320 W HN 0.273 nan 8.180 nan 0.000 0.536 321 L N 6.097 126.926 121.223 -0.657 0.000 2.280 321 L HA 0.374 4.714 4.340 0.000 0.000 0.287 321 L C 1.328 177.432 176.870 -1.276 0.000 1.023 321 L CA -0.035 54.358 54.840 -0.744 0.000 0.819 321 L CB 0.893 42.580 42.059 -0.620 0.000 1.212 321 L HN 0.868 nan 8.230 nan 0.000 0.420 322 G N 2.760 110.935 108.800 -1.041 0.000 2.440 322 G HA2 -0.260 3.701 3.960 0.000 0.000 0.218 322 G HA3 -0.260 3.701 3.960 0.000 0.000 0.218 322 G C 1.321 176.032 174.900 -0.314 0.000 1.154 322 G CA 1.080 45.684 45.100 -0.828 0.000 0.767 322 G HN 0.873 nan 8.290 nan 0.000 0.552 323 H N 0.002 118.970 119.070 -0.171 0.000 2.521 323 H HA 0.286 4.842 4.556 0.000 0.000 0.286 323 H C 2.431 177.718 175.328 -0.070 0.000 1.034 323 H CA 0.881 56.890 56.048 -0.064 0.000 1.278 323 H CB -0.392 29.341 29.762 -0.049 0.000 1.386 323 H HN 0.313 nan 8.280 nan 0.000 0.567 324 A N 1.787 124.345 122.820 -0.437 0.000 2.070 324 A HA -0.164 4.156 4.320 0.000 0.000 0.220 324 A C 1.655 179.082 177.584 -0.261 0.000 1.159 324 A CA 1.138 52.985 52.037 -0.317 0.000 0.656 324 A CB -0.699 18.048 19.000 -0.422 0.000 0.800 324 A HN 0.597 nan 8.150 nan 0.000 0.453 325 H N -1.409 117.626 119.070 -0.059 0.000 2.586 325 H HA 0.313 4.869 4.556 0.000 0.000 0.273 325 H C -0.125 175.251 175.328 0.081 0.000 0.997 325 H CA -0.147 55.952 56.048 0.085 0.000 1.177 325 H CB 0.187 30.111 29.762 0.270 0.000 1.471 325 H HN 0.333 nan 8.280 nan 0.000 0.538 326 L N 0.215 121.513 121.223 0.125 0.000 2.357 326 L HA 0.298 4.638 4.340 0.000 0.000 0.273 326 L C 1.315 178.199 176.870 0.024 0.000 1.080 326 L CA -0.367 54.512 54.840 0.064 0.000 0.803 326 L CB 1.337 43.435 42.059 0.064 0.000 1.174 326 L HN 0.015 nan 8.230 nan 0.000 0.443 327 A N 0.635 123.452 122.820 -0.005 0.000 2.081 327 A HA 0.039 4.359 4.320 0.000 0.000 0.214 327 A C 0.581 178.151 177.584 -0.023 0.000 1.158 327 A CA 0.453 52.480 52.037 -0.016 0.000 0.724 327 A CB -0.071 18.912 19.000 -0.028 0.000 0.826 327 A HN 0.729 nan 8.150 nan 0.000 0.463 328 D N -0.372 120.010 120.400 -0.029 0.000 2.272 328 D HA 0.441 5.082 4.640 0.000 0.000 0.247 328 D C -1.716 174.564 176.300 -0.034 0.000 0.990 328 D CA -0.188 53.788 54.000 -0.040 0.000 0.931 328 D CB 1.560 42.324 40.800 -0.061 0.000 1.195 328 D HN 0.045 nan 8.370 nan 0.000 0.477 329 D N 1.046 121.416 120.400 -0.049 0.000 2.575 329 D HA 0.254 4.895 4.640 0.000 0.000 0.250 329 D C -1.881 174.369 176.300 -0.084 0.000 1.279 329 D CA -1.442 52.523 54.000 -0.058 0.000 0.925 329 D CB 2.101 42.867 40.800 -0.057 0.000 1.261 329 D HN 0.060 nan 8.370 nan 0.000 0.567 330 P HA 0.170 nan 4.420 nan 0.000 0.245 330 P C 0.529 177.750 177.300 -0.131 0.000 1.203 330 P CA 0.213 63.225 63.100 -0.146 0.000 0.792 330 P CB 0.180 31.742 31.700 -0.231 0.000 0.997 331 I N -2.777 117.733 120.570 -0.100 0.000 2.925 331 I HA 0.474 4.645 4.170 0.000 0.000 0.296 331 I C -3.055 172.997 176.117 -0.108 0.000 1.413 331 I CA -2.836 58.401 61.300 -0.104 0.000 0.932 331 I CB 1.257 39.207 38.000 -0.083 0.000 1.873 331 I HN -0.339 nan 8.210 nan 0.000 0.619 332 P HA 0.220 nan 4.420 nan 0.000 0.271 332 P C 1.151 178.402 177.300 -0.083 0.000 1.216 332 P CA 0.635 63.683 63.100 -0.087 0.000 0.771 332 P CB 1.036 32.694 31.700 -0.071 0.000 0.864 333 G N 1.083 109.834 108.800 -0.082 0.000 2.168 333 G HA2 -0.266 3.694 3.960 0.000 0.000 0.257 333 G HA3 -0.266 3.694 3.960 0.000 0.000 0.257 333 G C -0.035 174.821 174.900 -0.073 0.000 0.997 333 G CA -0.065 44.993 45.100 -0.070 0.000 0.708 333 G HN 0.605 nan 8.290 nan 0.000 0.520 334 Q N -0.831 118.912 119.800 -0.096 0.000 2.377 334 Q HA 0.577 4.917 4.340 0.000 0.000 0.271 334 Q C 0.622 176.559 176.000 -0.106 0.000 1.077 334 Q CA -0.103 55.647 55.803 -0.088 0.000 0.820 334 Q CB 2.195 30.878 28.738 -0.092 0.000 1.347 334 Q HN 1.524 nan 8.270 nan 0.000 0.444 335 G N 0.909 109.669 108.800 -0.067 0.000 2.741 335 G HA2 -0.138 3.822 3.960 0.000 0.000 0.222 335 G HA3 -0.138 3.822 3.960 0.000 0.000 0.222 335 G C -0.700 174.162 174.900 -0.063 0.000 1.364 335 G CA -0.463 44.602 45.100 -0.058 0.000 0.866 335 G HN 0.808 nan 8.290 nan 0.000 0.555 336 A N 0.670 123.463 122.820 -0.044 0.000 2.354 336 A HA 0.705 5.026 4.320 0.000 0.000 0.281 336 A C 0.719 178.325 177.584 0.036 0.000 1.174 336 A CA 0.139 52.161 52.037 -0.024 0.000 0.828 336 A CB 0.229 19.206 19.000 -0.038 0.000 1.099 336 A HN 0.828 nan 8.150 nan 0.000 0.516 337 R N 2.073 122.586 120.500 0.021 0.000 2.854 337 R HA 0.374 4.714 4.340 0.000 0.000 0.271 337 R C -0.921 175.400 176.300 0.035 0.000 0.996 337 R CA -1.103 55.047 56.100 0.083 0.000 0.961 337 R CB 0.710 31.024 30.300 0.023 0.000 1.182 337 R HN 0.702 nan 8.270 nan 0.000 0.479 338 N N 1.876 120.596 118.700 0.034 0.000 2.408 338 N HA 0.083 4.823 4.740 0.000 0.000 0.257 338 N C -0.940 174.529 175.510 -0.068 0.000 1.064 338 N CA -0.343 52.681 53.050 -0.043 0.000 0.952 338 N CB 0.526 38.968 38.487 -0.075 0.000 1.093 338 N HN 0.407 nan 8.380 nan 0.000 0.490 339 R N 2.057 122.508 120.500 -0.081 0.000 2.388 339 R HA 0.353 4.693 4.340 0.000 0.000 0.314 339 R C -0.834 175.398 176.300 -0.113 0.000 0.959 339 R CA -0.740 55.307 56.100 -0.089 0.000 0.851 339 R CB 0.559 30.820 30.300 -0.064 0.000 1.168 339 R HN 0.383 nan 8.270 nan 0.000 0.472 340 D N 2.244 122.558 120.400 -0.143 0.000 2.723 340 D HA -0.176 4.464 4.640 0.000 0.000 0.236 340 D C 0.979 177.169 176.300 -0.183 0.000 1.138 340 D CA 2.201 56.108 54.000 -0.154 0.000 0.676 340 D CB -0.942 39.799 40.800 -0.099 0.000 1.069 340 D HN 1.145 nan 8.370 nan 0.000 0.430 341 G N -1.768 106.873 108.800 -0.264 0.000 2.157 341 G HA2 -0.245 3.716 3.960 0.000 0.000 0.248 341 G HA3 -0.245 3.716 3.960 0.000 0.000 0.248 341 G C 0.194 175.018 174.900 -0.127 0.000 0.979 341 G CA 0.273 45.222 45.100 -0.251 0.000 0.650 341 G HN 0.572 nan 8.290 nan 0.000 0.529 342 L N -0.205 120.951 121.223 -0.112 0.000 2.388 342 L HA 0.870 5.210 4.340 0.000 0.000 0.264 342 L C 0.076 176.903 176.870 -0.072 0.000 0.998 342 L CA -0.639 54.153 54.840 -0.080 0.000 0.817 342 L CB 2.363 44.375 42.059 -0.079 0.000 1.338 342 L HN 0.426 nan 8.230 nan 0.000 0.414 343 A N 0.890 123.672 122.820 -0.062 0.000 2.393 343 A HA 0.853 5.174 4.320 0.000 0.000 0.306 343 A C -0.826 176.709 177.584 -0.082 0.000 1.050 343 A CA -0.447 51.554 52.037 -0.059 0.000 0.724 343 A CB 1.765 20.743 19.000 -0.037 0.000 1.248 343 A HN 0.556 nan 8.150 nan 0.000 0.424 344 T N 4.552 119.051 114.554 -0.091 0.000 2.829 344 T HA 0.674 5.024 4.350 0.000 0.000 0.280 344 T C -2.692 171.924 174.700 -0.139 0.000 0.999 344 T CA -1.024 60.998 62.100 -0.129 0.000 0.983 344 T CB 1.586 70.384 68.868 -0.116 0.000 0.968 344 T HN 0.575 nan 8.240 nan 0.000 0.446 345 P HA 0.352 nan 4.420 nan 0.000 0.277 345 P C -2.776 174.480 177.300 -0.074 0.000 1.240 345 P CA -1.754 61.191 63.100 -0.259 0.000 0.798 345 P CB -0.376 31.031 31.700 -0.488 0.000 0.979 346 P HA 0.093 nan 4.420 nan 0.000 0.269 346 P C 0.435 177.991 177.300 0.425 0.000 1.217 346 P CA 0.297 63.507 63.100 0.184 0.000 0.783 346 P CB 0.167 31.977 31.700 0.183 0.000 0.898 347 S N -0.366 115.549 115.700 0.359 0.000 2.559 347 S HA 0.281 4.751 4.470 0.000 0.000 0.226 347 S C 0.658 175.381 174.600 0.205 0.000 1.000 347 S CA -0.265 58.204 58.200 0.447 0.000 0.948 347 S CB 0.024 63.484 63.200 0.433 0.000 0.870 347 S HN 0.642 nan 8.310 nan 0.000 0.497 348 A N 3.275 126.187 122.820 0.154 0.000 2.520 348 A HA 0.366 4.686 4.320 0.000 0.000 0.235 348 A C -2.476 175.131 177.584 0.039 0.000 1.065 348 A CA -0.802 51.285 52.037 0.083 0.000 0.764 348 A CB -0.485 18.562 19.000 0.078 0.000 1.002 348 A HN 0.107 nan 8.150 nan 0.000 0.502 349 P HA 0.268 nan 4.420 nan 0.000 0.265 349 P C 1.085 178.374 177.300 -0.017 0.000 1.187 349 P CA 1.942 65.024 63.100 -0.030 0.000 0.766 349 P CB 0.339 32.030 31.700 -0.016 0.000 0.820 350 G N 2.031 110.802 108.800 -0.049 0.000 2.527 350 G HA2 -0.327 3.633 3.960 0.000 0.000 0.268 350 G HA3 -0.327 3.633 3.960 0.000 0.000 0.268 350 G C 0.527 175.382 174.900 -0.075 0.000 1.175 350 G CA 0.204 45.285 45.100 -0.031 0.000 0.962 350 G HN 0.547 nan 8.290 nan 0.000 0.560 351 L N 1.925 123.148 121.223 0.000 0.000 2.209 351 L HA 0.446 4.787 4.340 0.000 0.000 0.207 351 L C 2.483 179.453 176.870 0.168 0.000 1.094 351 L CA 2.612 57.475 54.840 0.038 0.000 0.790 351 L CB -0.719 41.393 42.059 0.088 0.000 0.932 351 L HN 2.579 nan 8.230 nan 0.000 0.447 352 G N -0.361 108.507 108.800 0.113 0.000 2.176 352 G HA2 -0.199 3.761 3.960 0.000 0.000 0.252 352 G HA3 -0.199 3.761 3.960 0.000 0.000 0.252 352 G C 0.095 175.039 174.900 0.073 0.000 1.024 352 G CA 0.425 45.591 45.100 0.110 0.000 0.755 352 G HN 0.829 nan 8.290 nan 0.000 0.507 353 V N -0.211 119.731 119.914 0.045 0.000 2.569 353 V HA 0.787 4.907 4.120 0.000 0.000 0.301 353 V C -0.523 175.519 176.094 -0.086 0.000 1.044 353 V CA -1.269 61.016 62.300 -0.023 0.000 0.874 353 V CB 1.524 33.325 31.823 -0.036 0.000 1.002 353 V HN 0.394 nan 8.190 nan 0.000 0.424 354 I N 8.736 129.223 120.570 -0.139 0.000 2.390 354 I HA 0.477 4.647 4.170 0.000 0.000 0.283 354 I C -2.354 173.528 176.117 -0.393 0.000 1.016 354 I CA -1.919 59.232 61.300 -0.248 0.000 1.151 354 I CB 1.969 39.913 38.000 -0.094 0.000 1.293 354 I HN 0.483 nan 8.210 nan 0.000 0.458 355 P HA 0.063 nan 4.420 nan 0.000 0.271 355 P C -0.852 176.099 177.300 -0.581 0.000 1.216 355 P CA -0.172 62.506 63.100 -0.703 0.000 0.776 355 P CB 0.571 31.630 31.700 -1.068 0.000 0.881 356 D N 3.521 123.713 120.400 -0.346 0.000 2.313 356 D HA 0.187 4.827 4.640 0.000 0.000 0.239 356 D C -1.609 174.554 176.300 -0.229 0.000 1.142 356 D CA -2.217 51.653 54.000 -0.216 0.000 0.847 356 D CB 0.657 41.376 40.800 -0.135 0.000 1.082 356 D HN 0.121 nan 8.370 nan 0.000 0.480 357 P HA -0.087 nan 4.420 nan 0.000 0.222 357 P C 0.634 177.905 177.300 -0.048 0.000 1.147 357 P CA 0.682 63.704 63.100 -0.131 0.000 0.790 357 P CB 0.360 32.129 31.700 0.115 0.000 0.780 358 E N -0.573 119.607 120.200 -0.033 0.000 2.347 358 E HA 0.001 4.351 4.350 0.000 0.000 0.196 358 E C 1.930 178.500 176.600 -0.051 0.000 1.008 358 E CA 0.792 57.182 56.400 -0.017 0.000 0.852 358 E CB -0.858 28.836 29.700 -0.010 0.000 0.783 358 E HN 0.148 nan 8.360 nan 0.000 0.505 359 A N -0.368 122.391 122.820 -0.101 0.000 2.178 359 A HA 0.096 4.416 4.320 0.000 0.000 0.211 359 A C 1.630 179.122 177.584 -0.154 0.000 1.157 359 A CA 0.305 52.269 52.037 -0.122 0.000 0.780 359 A CB -0.015 18.899 19.000 -0.144 0.000 0.828 359 A HN 0.206 nan 8.150 nan 0.000 0.476 360 L N -1.527 119.595 121.223 -0.168 0.000 2.590 360 L HA 0.348 4.688 4.340 0.000 0.000 0.227 360 L C 1.288 178.146 176.870 -0.020 0.000 1.099 360 L CA 0.387 55.104 54.840 -0.204 0.000 0.872 360 L CB -0.283 41.515 42.059 -0.435 0.000 1.088 360 L HN 0.544 nan 8.230 nan 0.000 0.479 361 G N 0.817 109.638 108.800 0.033 0.000 2.698 361 G HA2 -0.200 3.760 3.960 0.000 0.000 0.225 361 G HA3 -0.200 3.760 3.960 0.000 0.000 0.225 361 G C -0.551 174.475 174.900 0.209 0.000 1.345 361 G CA -0.756 44.401 45.100 0.095 0.000 0.871 361 G HN 0.073 nan 8.290 nan 0.000 0.540 362 R N 1.128 121.721 120.500 0.155 0.000 2.308 362 R HA 0.399 4.739 4.340 0.000 0.000 0.305 362 R C -1.739 174.616 176.300 0.092 0.000 1.053 362 R CA -1.293 54.888 56.100 0.134 0.000 0.957 362 R CB 0.687 31.024 30.300 0.062 0.000 1.022 362 R HN 0.471 nan 8.270 nan 0.000 0.461 363 P HA -0.072 nan 4.420 nan 0.000 0.262 363 P C 0.904 178.086 177.300 -0.196 0.000 1.182 363 P CA 0.184 63.044 63.100 -0.399 0.000 0.761 363 P CB 0.476 31.831 31.700 -0.575 0.000 0.795 364 V N 0.242 120.064 119.914 -0.153 0.000 2.951 364 V HA 0.376 4.496 4.120 0.000 0.000 0.255 364 V C 0.719 176.737 176.094 -0.127 0.000 1.088 364 V CA 1.160 63.413 62.300 -0.077 0.000 1.109 364 V CB -0.847 30.977 31.823 0.001 0.000 0.724 364 V HN 0.698 nan 8.190 nan 0.000 0.471 365 A N -0.882 121.818 122.820 -0.199 0.000 2.606 365 A HA 0.823 5.143 4.320 0.000 0.000 0.293 365 A C -0.670 176.657 177.584 -0.428 0.000 1.082 365 A CA 0.123 51.973 52.037 -0.312 0.000 0.685 365 A CB 1.834 20.706 19.000 -0.212 0.000 1.284 365 A HN 0.454 nan 8.150 nan 0.000 0.408 366 S N -0.551 114.744 115.700 -0.674 0.000 2.533 366 S HA 0.763 5.233 4.470 0.000 0.000 0.271 366 S C -2.175 171.984 174.600 -0.736 0.000 1.143 366 S CA -0.295 57.591 58.200 -0.523 0.000 0.891 366 S CB 0.815 63.835 63.200 -0.301 0.000 1.105 366 S HN 0.741 nan 8.310 nan 0.000 0.468 367 Y N 2.039 122.294 120.300 -0.075 0.000 2.386 367 Y HA 0.537 5.088 4.550 0.000 0.000 0.334 367 Y C -0.499 175.365 175.900 -0.060 0.000 1.002 367 Y CA -0.827 57.234 58.100 -0.065 0.000 1.068 367 Y CB 1.835 40.256 38.460 -0.065 0.000 1.203 367 Y HN 0.761 nan 8.280 nan 0.000 0.443 368 D N -0.455 119.987 120.400 0.070 0.000 2.596 368 D HA 0.634 5.274 4.640 0.000 0.000 0.262 368 D C -1.152 175.157 176.300 0.015 0.000 1.210 368 D CA -0.980 53.036 54.000 0.027 0.000 0.873 368 D CB 2.151 42.950 40.800 -0.002 0.000 1.408 368 D HN 0.468 nan 8.370 nan 0.000 0.441 369 E N 0.000 120.200 120.200 0.000 0.000 2.725 369 E HA 0.000 4.350 4.350 0.000 0.000 0.291 369 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 369 E CB 0.000 29.690 29.700 -0.016 0.000 0.812 369 E HN 0.000 nan 8.360 nan 0.000 0.440