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 3isn_1_C DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTQLQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.356 177.300 0.093 0.000 1.155 1 P CA 0.000 63.142 63.100 0.069 0.000 0.800 1 P CB 0.000 31.733 31.700 0.055 0.000 0.726 2 I N 0.599 121.222 120.570 0.089 0.000 2.618 2 I HA 0.168 4.333 4.170 -0.007 0.000 0.284 2 I C 1.050 177.233 176.117 0.109 0.000 1.146 2 I CA -0.033 61.333 61.300 0.109 0.000 1.425 2 I CB 0.754 38.811 38.000 0.094 0.000 1.383 2 I HN 0.390 nan 8.210 nan 0.000 0.562 3 S N 7.270 123.055 115.700 0.142 0.000 2.562 3 S HA 0.169 4.635 4.470 -0.007 0.000 0.281 3 S C -1.420 173.266 174.600 0.143 0.000 1.333 3 S CA -1.053 57.247 58.200 0.167 0.000 1.052 3 S CB 0.834 64.167 63.200 0.222 0.000 0.884 3 S HN 0.416 nan 8.310 nan 0.000 0.506 4 P HA 0.110 nan 4.420 nan 0.000 0.233 4 P C 0.604 177.984 177.300 0.133 0.000 1.167 4 P CA 0.083 63.220 63.100 0.062 0.000 0.770 4 P CB -0.139 31.518 31.700 -0.071 0.000 0.837 5 I N 0.989 121.720 120.570 0.269 0.000 2.872 5 I HA -0.061 4.105 4.170 -0.007 0.000 0.291 5 I C 0.635 176.866 176.117 0.190 0.000 1.216 5 I CA -0.211 61.287 61.300 0.330 0.000 1.424 5 I CB 0.566 38.756 38.000 0.315 0.000 1.351 5 I HN -0.030 nan 8.210 nan 0.000 0.592 6 E N 5.348 125.650 120.200 0.171 0.000 2.413 6 E HA 0.068 4.414 4.350 -0.007 0.000 0.263 6 E C 0.043 176.706 176.600 0.106 0.000 1.015 6 E CA -0.179 56.291 56.400 0.118 0.000 0.916 6 E CB -0.016 29.746 29.700 0.104 0.000 0.947 6 E HN 0.664 nan 8.360 nan 0.000 0.440 7 T N -1.195 113.415 114.554 0.093 0.000 2.813 7 T HA 0.210 4.556 4.350 -0.007 0.000 0.297 7 T C 0.344 175.096 174.700 0.086 0.000 1.036 7 T CA -0.863 61.291 62.100 0.090 0.000 1.044 7 T CB 0.838 69.757 68.868 0.084 0.000 0.993 7 T HN 0.231 nan 8.240 nan 0.000 0.535 8 V N 4.050 124.019 119.914 0.092 0.000 2.407 8 V HA 0.356 4.471 4.120 -0.007 0.000 0.278 8 V C -2.061 174.093 176.094 0.099 0.000 1.037 8 V CA -2.023 60.335 62.300 0.098 0.000 0.900 8 V CB 0.831 32.725 31.823 0.119 0.000 0.983 8 V HN 0.847 nan 8.190 nan 0.000 0.459 9 P HA 0.150 nan 4.420 nan 0.000 0.265 9 P C -0.843 176.497 177.300 0.066 0.000 1.193 9 P CA 0.201 63.348 63.100 0.078 0.000 0.765 9 P CB 0.500 32.238 31.700 0.063 0.000 0.823 10 V N 4.073 124.018 119.914 0.051 0.000 2.709 10 V HA 0.446 4.562 4.120 -0.007 0.000 0.308 10 V C 0.099 176.236 176.094 0.072 0.000 1.062 10 V CA -0.638 61.629 62.300 -0.054 0.000 0.901 10 V CB 2.195 33.788 31.823 -0.383 0.000 1.003 10 V HN 0.410 nan 8.190 nan 0.000 0.425 11 K N 3.257 123.687 120.400 0.051 0.000 2.328 11 K HA 0.694 5.010 4.320 -0.007 0.000 0.246 11 K C -1.091 175.641 176.600 0.222 0.000 0.955 11 K CA -0.850 55.544 56.287 0.178 0.000 0.817 11 K CB 2.596 35.132 32.500 0.060 0.000 1.208 11 K HN 0.476 nan 8.250 nan 0.000 0.432 12 L N 2.265 123.616 121.223 0.213 0.000 2.452 12 L HA 0.204 4.540 4.340 -0.007 0.000 0.267 12 L C 0.488 177.374 176.870 0.027 0.000 1.188 12 L CA -0.324 54.563 54.840 0.077 0.000 0.821 12 L CB 0.199 42.183 42.059 -0.125 0.000 1.102 12 L HN 0.423 nan 8.230 nan 0.000 0.470 13 K N 1.927 122.332 120.400 0.009 0.000 2.518 13 K HA 0.038 4.354 4.320 -0.007 0.000 0.276 13 K C -2.234 174.363 176.600 -0.005 0.000 0.974 13 K CA -1.159 55.125 56.287 -0.006 0.000 0.986 13 K CB -0.195 32.303 32.500 -0.003 0.000 0.901 13 K HN 0.284 nan 8.250 nan 0.000 0.497 14 P HA -0.034 nan 4.420 nan 0.000 0.268 14 P C 0.582 177.884 177.300 0.004 0.000 1.205 14 P CA 0.565 63.667 63.100 0.003 0.000 0.771 14 P CB 0.687 32.388 31.700 0.003 0.000 0.858 15 G N 1.351 110.156 108.800 0.008 0.000 2.205 15 G HA2 -0.249 3.707 3.960 -0.007 0.000 0.261 15 G HA3 -0.249 3.707 3.960 -0.007 0.000 0.261 15 G C 0.082 174.986 174.900 0.007 0.000 0.980 15 G CA -0.102 45.004 45.100 0.010 0.000 0.632 15 G HN 0.467 nan 8.290 nan 0.000 0.533 16 M N 0.476 120.073 119.600 -0.005 0.000 2.472 16 M HA 0.528 5.003 4.480 -0.007 0.000 0.331 16 M C -0.091 176.183 176.300 -0.045 0.000 1.170 16 M CA -0.762 54.527 55.300 -0.018 0.000 1.009 16 M CB 1.611 34.196 32.600 -0.024 0.000 1.672 16 M HN 0.153 nan 8.290 nan 0.000 0.453 17 D N 0.760 121.138 120.400 -0.035 0.000 2.529 17 D HA 0.577 5.213 4.640 -0.007 0.000 0.273 17 D C -0.088 176.100 176.300 -0.187 0.000 1.197 17 D CA -0.121 53.858 54.000 -0.035 0.000 1.070 17 D CB 1.284 42.136 40.800 0.086 0.000 1.134 17 D HN 0.674 nan 8.370 nan 0.000 0.590 18 G N -0.485 108.131 108.800 -0.307 0.000 2.580 18 G HA2 0.472 4.428 3.960 -0.007 0.000 0.278 18 G HA3 0.472 4.428 3.960 -0.007 0.000 0.278 18 G C -2.399 172.419 174.900 -0.136 0.000 1.212 18 G CA -0.951 43.768 45.100 -0.635 0.000 0.939 18 G HN 0.387 nan 8.290 nan 0.000 0.513 19 P HA 0.257 nan 4.420 nan 0.000 0.269 19 P C -0.599 176.835 177.300 0.224 0.000 1.215 19 P CA -0.031 63.127 63.100 0.097 0.000 0.780 19 P CB 0.683 32.458 31.700 0.124 0.000 0.898 20 K N 0.749 121.244 120.400 0.157 0.000 3.350 20 K HA 0.282 4.597 4.320 -0.007 0.000 0.167 20 K C -1.269 175.361 176.600 0.050 0.000 1.058 20 K CA -0.232 56.132 56.287 0.128 0.000 0.783 20 K CB 0.775 33.345 32.500 0.116 0.000 0.872 20 K HN 0.133 nan 8.250 nan 0.000 0.561 21 V N 1.493 121.429 119.914 0.036 0.000 2.472 21 V HA 0.317 4.433 4.120 -0.007 0.000 0.290 21 V C 0.032 176.058 176.094 -0.113 0.000 1.037 21 V CA -0.710 61.574 62.300 -0.028 0.000 0.908 21 V CB 1.552 33.380 31.823 0.008 0.000 0.985 21 V HN 0.194 nan 8.190 nan 0.000 0.454 22 K N 2.469 122.733 120.400 -0.228 0.000 2.118 22 K HA 0.454 4.770 4.320 -0.007 0.000 0.267 22 K C -0.192 176.083 176.600 -0.542 0.000 0.991 22 K CA -0.493 55.608 56.287 -0.310 0.000 0.916 22 K CB 0.882 33.220 32.500 -0.270 0.000 1.041 22 K HN 0.649 nan 8.250 nan 0.000 0.455 23 Q N 1.589 121.152 119.800 -0.395 0.000 2.332 23 Q HA 0.157 4.492 4.340 -0.007 0.000 0.263 23 Q C -1.228 174.514 176.000 -0.430 0.000 0.979 23 Q CA 0.307 55.872 55.803 -0.397 0.000 0.885 23 Q CB 0.417 29.043 28.738 -0.186 0.000 1.218 23 Q HN 0.421 nan 8.270 nan 0.000 0.405 24 W N 5.284 126.540 121.300 -0.073 0.000 2.251 24 W HA 0.373 5.029 4.660 -0.007 0.000 0.329 24 W C -1.710 174.798 176.519 -0.019 0.000 1.234 24 W CA -1.715 55.624 57.345 -0.010 0.000 1.228 24 W CB 0.210 29.707 29.460 0.062 0.000 1.135 24 W HN 0.650 nan 8.180 nan 0.000 0.576 25 P HA 0.573 nan 4.420 nan 0.000 0.333 25 P C -0.682 176.706 177.300 0.146 0.000 1.315 25 P CA -0.171 63.014 63.100 0.141 0.000 0.746 25 P CB 0.948 32.717 31.700 0.116 0.000 1.575 26 L N -4.864 116.421 121.223 0.103 0.000 3.012 26 L HA 0.066 4.402 4.340 -0.007 0.000 0.299 26 L C -0.767 176.147 176.870 0.074 0.000 0.830 26 L CA -0.759 54.140 54.840 0.099 0.000 1.105 26 L CB -0.431 41.706 42.059 0.129 0.000 1.733 26 L HN 0.522 nan 8.230 nan 0.000 0.361 27 T N 0.011 114.613 114.554 0.079 0.000 2.720 27 T HA -0.086 4.260 4.350 -0.007 0.000 0.255 27 T C 0.588 175.311 174.700 0.037 0.000 1.021 27 T CA 1.083 63.221 62.100 0.064 0.000 1.145 27 T CB 0.159 69.083 68.868 0.093 0.000 1.036 27 T HN 0.542 nan 8.240 nan 0.000 0.479 28 E N 2.919 123.128 120.200 0.015 0.000 2.403 28 E HA 0.032 4.377 4.350 -0.007 0.000 0.187 28 E C 1.008 177.579 176.600 -0.048 0.000 1.073 28 E CA 0.106 56.499 56.400 -0.012 0.000 0.888 28 E CB 0.273 29.967 29.700 -0.009 0.000 1.035 28 E HN 0.823 nan 8.360 nan 0.000 0.471 29 E N 0.349 120.519 120.200 -0.051 0.000 2.307 29 E HA -0.005 4.341 4.350 -0.007 0.000 0.195 29 E C 1.591 178.036 176.600 -0.259 0.000 0.975 29 E CA 0.259 56.572 56.400 -0.145 0.000 0.878 29 E CB 0.234 29.884 29.700 -0.083 0.000 0.845 29 E HN -0.070 nan 8.360 nan 0.000 0.488 30 K N 0.840 121.188 120.400 -0.087 0.000 2.097 30 K HA 0.002 4.317 4.320 -0.007 0.000 0.205 30 K C 1.938 178.485 176.600 -0.088 0.000 1.050 30 K CA 0.778 57.037 56.287 -0.047 0.000 0.938 30 K CB -0.183 32.395 32.500 0.131 0.000 0.718 30 K HN 0.189 nan 8.250 nan 0.000 0.442 31 I N 1.377 121.913 120.570 -0.057 0.000 2.142 31 I HA -0.183 3.983 4.170 -0.007 0.000 0.240 31 I C 1.158 177.227 176.117 -0.080 0.000 1.078 31 I CA 0.843 62.118 61.300 -0.041 0.000 1.343 31 I CB -0.844 37.142 38.000 -0.022 0.000 1.046 31 I HN 0.074 nan 8.210 nan 0.000 0.405 32 K N 0.751 121.076 120.400 -0.126 0.000 2.285 32 K HA 0.085 4.401 4.320 -0.007 0.000 0.255 32 K C 1.186 177.645 176.600 -0.235 0.000 1.000 32 K CA 1.005 57.196 56.287 -0.161 0.000 0.887 32 K CB 0.483 32.867 32.500 -0.193 0.000 0.997 32 K HN 0.311 nan 8.250 nan 0.000 0.510 33 A N 0.188 122.877 122.820 -0.217 0.000 1.344 33 A HA -0.299 4.017 4.320 -0.007 0.000 0.222 33 A C 1.672 179.194 177.584 -0.104 0.000 0.391 33 A CA 1.737 53.638 52.037 -0.227 0.000 1.096 33 A CB -1.801 16.871 19.000 -0.547 0.000 1.468 33 A HN 0.619 nan 8.150 nan 0.000 0.722 34 L N -0.570 120.600 121.223 -0.088 0.000 1.956 34 L HA -0.242 4.094 4.340 -0.007 0.000 0.216 34 L C 2.592 179.464 176.870 0.004 0.000 1.073 34 L CA 2.542 57.381 54.840 -0.002 0.000 0.762 34 L CB -0.697 41.379 42.059 0.029 0.000 0.889 34 L HN 0.578 nan 8.230 nan 0.000 0.433 35 V N -0.422 119.491 119.914 -0.002 0.000 2.469 35 V HA -0.285 3.831 4.120 -0.007 0.000 0.251 35 V C 2.291 178.385 176.094 0.000 0.000 1.064 35 V CA 1.724 64.037 62.300 0.022 0.000 1.066 35 V CB -0.555 31.274 31.823 0.009 0.000 0.667 35 V HN 0.459 nan 8.190 nan 0.000 0.461 36 E N 0.087 120.270 120.200 -0.029 0.000 2.006 36 E HA -0.150 4.196 4.350 -0.007 0.000 0.192 36 E C 2.231 178.816 176.600 -0.024 0.000 0.993 36 E CA 1.505 57.888 56.400 -0.028 0.000 0.808 36 E CB -0.232 29.443 29.700 -0.041 0.000 0.764 36 E HN 0.503 nan 8.360 nan 0.000 0.449 37 I N 0.903 121.461 120.570 -0.020 0.000 2.145 37 I HA -0.423 3.743 4.170 -0.007 0.000 0.244 37 I C 2.595 178.671 176.117 -0.068 0.000 1.075 37 I CA 0.920 62.208 61.300 -0.019 0.000 1.332 37 I CB -0.402 37.605 38.000 0.012 0.000 1.033 37 I HN 0.328 nan 8.210 nan 0.000 0.410 38 C N 0.654 119.904 119.300 -0.085 0.000 2.436 38 C HA -0.181 4.275 4.460 -0.007 0.000 0.277 38 C C 3.196 178.076 174.990 -0.182 0.000 1.241 38 C CA 1.894 60.784 59.018 -0.213 0.000 1.721 38 C CB -1.218 26.390 27.740 -0.220 0.000 2.043 38 C HN 0.650 nan 8.230 nan 0.000 0.472 39 T N -0.275 114.253 114.554 -0.044 0.000 2.699 39 T HA -0.259 4.087 4.350 -0.007 0.000 0.268 39 T C 1.479 176.157 174.700 -0.036 0.000 1.036 39 T CA 1.992 64.092 62.100 0.000 0.000 1.147 39 T CB -0.457 68.424 68.868 0.021 0.000 0.862 39 T HN 0.568 nan 8.240 nan 0.000 0.446 40 E N 1.607 121.779 120.200 -0.046 0.000 2.023 40 E HA -0.113 4.233 4.350 -0.007 0.000 0.196 40 E C 2.275 178.832 176.600 -0.070 0.000 1.003 40 E CA 1.535 57.910 56.400 -0.042 0.000 0.809 40 E CB -0.621 29.062 29.700 -0.028 0.000 0.755 40 E HN 0.577 nan 8.360 nan 0.000 0.449 41 M N 0.122 119.650 119.600 -0.120 0.000 2.143 41 M HA -0.233 4.242 4.480 -0.007 0.000 0.258 41 M C 2.425 178.624 176.300 -0.168 0.000 1.071 41 M CA 2.148 57.338 55.300 -0.183 0.000 1.088 41 M CB -0.508 31.916 32.600 -0.295 0.000 1.360 41 M HN 0.271 nan 8.290 nan 0.000 0.404 42 E N 0.795 120.906 120.200 -0.150 0.000 2.152 42 E HA -0.211 4.135 4.350 -0.007 0.000 0.192 42 E C 1.943 178.524 176.600 -0.032 0.000 0.983 42 E CA 1.073 57.428 56.400 -0.075 0.000 0.818 42 E CB 0.044 29.757 29.700 0.022 0.000 0.758 42 E HN 0.389 nan 8.360 nan 0.000 0.467 43 K N 0.489 120.871 120.400 -0.030 0.000 2.152 43 K HA -0.161 4.155 4.320 -0.007 0.000 0.206 43 K C 1.118 177.709 176.600 -0.015 0.000 1.048 43 K CA 1.650 57.927 56.287 -0.016 0.000 0.933 43 K CB 0.143 32.635 32.500 -0.014 0.000 0.721 43 K HN 0.126 nan 8.250 nan 0.000 0.447 44 E N -1.655 118.529 120.200 -0.026 0.000 2.465 44 E HA 0.136 4.482 4.350 -0.007 0.000 0.195 44 E C 0.616 177.211 176.600 -0.008 0.000 1.028 44 E CA 0.298 56.690 56.400 -0.012 0.000 0.899 44 E CB 0.947 30.641 29.700 -0.009 0.000 1.032 44 E HN 0.506 nan 8.360 nan 0.000 0.468 45 G N 1.854 110.643 108.800 -0.018 0.000 2.253 45 G HA2 -0.365 3.591 3.960 -0.007 0.000 0.251 45 G HA3 -0.365 3.591 3.960 -0.007 0.000 0.251 45 G C 1.208 176.098 174.900 -0.018 0.000 0.998 45 G CA 0.616 45.712 45.100 -0.006 0.000 0.621 45 G HN 0.181 nan 8.290 nan 0.000 0.524 46 K N 0.508 120.870 120.400 -0.062 0.000 2.152 46 K HA 0.053 4.369 4.320 -0.007 0.000 0.206 46 K C 1.602 178.131 176.600 -0.117 0.000 1.048 46 K CA 1.763 57.994 56.287 -0.094 0.000 0.933 46 K CB -0.252 32.082 32.500 -0.276 0.000 0.721 46 K HN 0.971 nan 8.250 nan 0.000 0.447 47 I N -3.046 117.419 120.570 -0.174 0.000 2.969 47 I HA 0.403 4.569 4.170 -0.007 0.000 0.307 47 I C -1.071 175.028 176.117 -0.031 0.000 1.149 47 I CA -1.004 60.186 61.300 -0.184 0.000 1.008 47 I CB 2.616 40.361 38.000 -0.425 0.000 1.232 47 I HN -0.304 nan 8.210 nan 0.000 0.435 48 S N 2.631 118.366 115.700 0.058 0.000 2.526 48 S HA 0.401 4.867 4.470 -0.007 0.000 0.293 48 S C -0.712 173.955 174.600 0.111 0.000 1.092 48 S CA -0.775 57.478 58.200 0.089 0.000 0.980 48 S CB 1.720 64.930 63.200 0.017 0.000 1.048 48 S HN 0.637 nan 8.310 nan 0.000 0.483 49 K N 3.460 123.839 120.400 -0.034 0.000 2.401 49 K HA 0.260 4.576 4.320 -0.007 0.000 0.278 49 K C -0.200 176.257 176.600 -0.239 0.000 1.018 49 K CA 0.003 56.051 56.287 -0.398 0.000 0.981 49 K CB -0.019 32.226 32.500 -0.426 0.000 0.933 49 K HN 0.802 nan 8.250 nan 0.000 0.477 50 I N -0.808 119.600 120.570 -0.270 0.000 3.264 50 I HA 0.642 4.807 4.170 -0.007 0.000 0.309 50 I C -0.026 175.994 176.117 -0.162 0.000 1.099 50 I CA -1.233 59.964 61.300 -0.171 0.000 0.989 50 I CB 2.065 39.986 38.000 -0.131 0.000 1.250 50 I HN 0.519 nan 8.210 nan 0.000 0.478 51 G N 1.445 110.173 108.800 -0.120 0.000 2.322 51 G HA2 0.495 4.451 3.960 -0.007 0.000 0.309 51 G HA3 0.495 4.451 3.960 -0.007 0.000 0.309 51 G C -2.054 172.784 174.900 -0.103 0.000 1.121 51 G CA -1.395 43.642 45.100 -0.106 0.000 0.886 51 G HN 0.544 nan 8.290 nan 0.000 0.447 52 P HA -0.186 nan 4.420 nan 0.000 0.224 52 P C 1.568 178.812 177.300 -0.093 0.000 1.138 52 P CA 0.920 63.960 63.100 -0.099 0.000 0.780 52 P CB 0.335 31.980 31.700 -0.092 0.000 0.755 53 E N -1.047 119.100 120.200 -0.088 0.000 2.153 53 E HA -0.149 4.196 4.350 -0.007 0.000 0.194 53 E C 0.953 177.486 176.600 -0.111 0.000 0.988 53 E CA 0.573 56.920 56.400 -0.088 0.000 0.811 53 E CB -1.075 28.581 29.700 -0.074 0.000 0.746 53 E HN 0.329 nan 8.360 nan 0.000 0.466 54 N N 2.496 121.132 118.700 -0.106 0.000 2.434 54 N HA -0.028 4.707 4.740 -0.007 0.000 0.268 54 N C -1.847 173.561 175.510 -0.169 0.000 1.256 54 N CA -1.096 51.884 53.050 -0.117 0.000 0.914 54 N CB 1.138 39.589 38.487 -0.061 0.000 1.088 54 N HN -0.144 nan 8.380 nan 0.000 0.478 55 P HA 0.088 nan 4.420 nan 0.000 0.245 55 P C -0.719 176.366 177.300 -0.358 0.000 1.206 55 P CA 0.585 63.437 63.100 -0.413 0.000 0.781 55 P CB 0.088 31.407 31.700 -0.635 0.000 0.994 56 Y N 0.070 120.381 120.300 0.018 0.000 2.387 56 Y HA 0.537 5.082 4.550 -0.007 0.000 0.330 56 Y C 0.885 176.810 175.900 0.041 0.000 1.133 56 Y CA -0.890 57.239 58.100 0.048 0.000 1.152 56 Y CB 0.965 39.486 38.460 0.103 0.000 1.215 56 Y HN -0.178 nan 8.280 nan 0.000 0.466 57 N N -0.047 118.785 118.700 0.219 0.000 2.405 57 N HA 0.405 5.141 4.740 -0.007 0.000 0.274 57 N C -1.833 173.753 175.510 0.127 0.000 1.170 57 N CA -0.311 52.823 53.050 0.140 0.000 0.848 57 N CB 2.337 40.852 38.487 0.047 0.000 1.629 57 N HN 0.745 nan 8.380 nan 0.000 0.481 58 T N 0.264 114.893 114.554 0.125 0.000 2.933 58 T HA 0.621 4.966 4.350 -0.007 0.000 0.305 58 T C -3.095 171.587 174.700 -0.030 0.000 1.092 58 T CA -1.424 60.711 62.100 0.059 0.000 1.008 58 T CB 2.039 70.971 68.868 0.107 0.000 1.102 58 T HN 0.196 nan 8.240 nan 0.000 0.469 59 P HA 0.566 nan 4.420 nan 0.000 0.276 59 P C -1.001 176.116 177.300 -0.305 0.000 1.252 59 P CA -0.582 62.390 63.100 -0.214 0.000 0.802 59 P CB 0.820 32.414 31.700 -0.177 0.000 1.035 60 V N 0.979 120.615 119.914 -0.463 0.000 2.914 60 V HA 0.608 4.724 4.120 -0.007 0.000 0.314 60 V C -0.537 175.211 176.094 -0.576 0.000 1.084 60 V CA -0.327 61.756 62.300 -0.361 0.000 0.963 60 V CB 1.448 33.194 31.823 -0.128 0.000 1.025 60 V HN 0.403 nan 8.190 nan 0.000 0.432 61 F N 0.454 120.437 119.950 0.055 0.000 2.643 61 F HA 0.861 5.384 4.527 -0.007 0.000 0.314 61 F C 0.073 175.940 175.800 0.112 0.000 1.096 61 F CA -0.731 57.328 58.000 0.098 0.000 0.953 61 F CB 2.120 41.172 39.000 0.087 0.000 1.345 61 F HN 0.620 nan 8.300 nan 0.000 0.468 62 A N 2.065 125.111 122.820 0.377 0.000 2.356 62 A HA 0.863 5.178 4.320 -0.007 0.000 0.310 62 A C -1.302 176.451 177.584 0.280 0.000 1.075 62 A CA -0.465 51.789 52.037 0.363 0.000 0.746 62 A CB 1.058 20.322 19.000 0.440 0.000 1.221 62 A HN 0.746 nan 8.150 nan 0.000 0.443 63 I N 0.424 121.088 120.570 0.157 0.000 3.294 63 I HA 0.529 4.694 4.170 -0.007 0.000 0.311 63 I C -0.364 175.602 176.117 -0.252 0.000 1.111 63 I CA -1.095 60.186 61.300 -0.031 0.000 0.976 63 I CB 2.132 40.128 38.000 -0.007 0.000 1.260 63 I HN 0.713 nan 8.210 nan 0.000 0.474 64 K N 2.291 122.534 120.400 -0.261 0.000 4.007 64 K HA -0.192 4.124 4.320 -0.007 0.000 0.279 64 K C -0.811 175.406 176.600 -0.639 0.000 0.919 64 K CA 0.548 56.636 56.287 -0.333 0.000 0.800 64 K CB -1.015 31.352 32.500 -0.221 0.000 1.572 64 K HN 0.480 nan 8.250 nan 0.000 0.443 65 K N 2.487 122.453 120.400 -0.723 0.000 2.315 65 K HA 0.070 4.385 4.320 -0.007 0.000 0.281 65 K C 0.585 176.739 176.600 -0.743 0.000 1.086 65 K CA 0.275 55.896 56.287 -1.110 0.000 1.042 65 K CB 0.366 32.525 32.500 -0.569 0.000 0.949 65 K HN 0.421 nan 8.250 nan 0.000 0.450 66 K N 1.688 121.614 120.400 -0.790 0.000 1.692 66 K HA -0.334 3.982 4.320 -0.007 0.000 0.132 66 K C -0.105 176.372 176.600 -0.205 0.000 1.028 66 K CA 1.659 57.776 56.287 -0.283 0.000 0.304 66 K CB -1.507 30.910 32.500 -0.138 0.000 0.686 66 K HN 0.865 nan 8.250 nan 0.000 0.815 67 D N -0.475 119.841 120.400 -0.140 0.000 2.981 67 D HA -0.163 4.473 4.640 -0.007 0.000 0.223 67 D C -0.031 176.224 176.300 -0.076 0.000 1.151 67 D CA 1.688 55.621 54.000 -0.110 0.000 0.827 67 D CB -1.574 39.142 40.800 -0.141 0.000 1.101 67 D HN 0.649 nan 8.370 nan 0.000 0.426 68 S N -2.342 113.328 115.700 -0.050 0.000 3.380 68 S HA -0.272 4.194 4.470 -0.007 0.000 0.300 68 S C 0.419 175.002 174.600 -0.028 0.000 1.255 68 S CA 1.913 60.098 58.200 -0.025 0.000 0.963 68 S CB -1.263 61.925 63.200 -0.021 0.000 1.106 68 S HN 0.433 nan 8.310 nan 0.000 0.629 69 T N 1.383 115.904 114.554 -0.054 0.000 3.516 69 T HA 0.303 4.649 4.350 -0.007 0.000 0.245 69 T C 0.541 175.215 174.700 -0.043 0.000 1.077 69 T CA 0.059 62.127 62.100 -0.053 0.000 1.222 69 T CB 1.012 69.828 68.868 -0.086 0.000 1.045 69 T HN 0.404 nan 8.240 nan 0.000 0.585 70 K N 0.824 121.241 120.400 0.029 0.000 2.469 70 K HA -0.263 4.052 4.320 -0.007 0.000 0.109 70 K C 0.531 177.242 176.600 0.185 0.000 0.764 70 K CA 2.170 58.547 56.287 0.150 0.000 0.784 70 K CB -0.494 32.103 32.500 0.161 0.000 0.350 70 K HN 0.532 nan 8.250 nan 0.000 1.042 71 W N 0.227 121.534 121.300 0.012 0.000 4.441 71 W HA 0.211 4.867 4.660 -0.007 0.000 0.179 71 W C 0.174 176.706 176.519 0.022 0.000 2.822 71 W CA 0.121 57.476 57.345 0.018 0.000 2.030 71 W CB 0.568 30.041 29.460 0.022 0.000 1.760 71 W HN 0.362 nan 8.180 nan 0.000 0.574 72 R N 1.529 122.208 120.500 0.298 0.000 1.063 72 R HA -0.135 4.201 4.340 -0.007 0.000 0.428 72 R C -0.358 176.063 176.300 0.200 0.000 1.336 72 R CA 0.580 56.790 56.100 0.183 0.000 0.920 72 R CB -1.237 29.123 30.300 0.100 0.000 2.969 72 R HN 0.460 nan 8.270 nan 0.000 0.513 73 K N 1.872 122.372 120.400 0.166 0.000 2.102 73 K HA 0.616 4.932 4.320 -0.007 0.000 0.244 73 K C -0.389 176.292 176.600 0.134 0.000 1.021 73 K CA -0.755 55.620 56.287 0.148 0.000 0.913 73 K CB 0.822 33.373 32.500 0.086 0.000 1.062 73 K HN 0.278 nan 8.250 nan 0.000 0.485 74 L N 2.102 123.408 121.223 0.139 0.000 2.568 74 L HA 0.260 4.595 4.340 -0.007 0.000 0.262 74 L C -1.688 175.265 176.870 0.138 0.000 0.980 74 L CA -0.471 54.461 54.840 0.153 0.000 0.882 74 L CB 1.883 44.055 42.059 0.189 0.000 1.198 74 L HN 0.585 nan 8.230 nan 0.000 0.425 75 V N 2.378 122.296 119.914 0.006 0.000 2.498 75 V HA 0.343 4.458 4.120 -0.007 0.000 0.279 75 V C -0.074 175.930 176.094 -0.150 0.000 1.048 75 V CA -0.548 61.626 62.300 -0.210 0.000 0.967 75 V CB 1.452 32.973 31.823 -0.503 0.000 0.988 75 V HN 0.693 nan 8.190 nan 0.000 0.473 76 D N 3.296 123.644 120.400 -0.087 0.000 2.479 76 D HA 0.285 4.921 4.640 -0.007 0.000 0.218 76 D C 0.230 176.497 176.300 -0.055 0.000 1.131 76 D CA -0.369 53.658 54.000 0.046 0.000 0.916 76 D CB 0.395 41.367 40.800 0.287 0.000 1.022 76 D HN 0.366 nan 8.370 nan 0.000 0.515 77 F N 2.005 122.047 119.950 0.154 0.000 2.797 77 F HA 0.220 4.743 4.527 -0.007 0.000 0.302 77 F C 2.160 178.053 175.800 0.155 0.000 1.130 77 F CA -0.090 58.009 58.000 0.165 0.000 1.387 77 F CB -0.030 39.090 39.000 0.201 0.000 1.107 77 F HN 0.292 nan 8.300 nan 0.000 0.577 78 R N 0.275 120.931 120.500 0.260 0.000 2.134 78 R HA -0.280 4.056 4.340 -0.007 0.000 0.248 78 R C 2.086 178.495 176.300 0.182 0.000 1.143 78 R CA 2.107 58.321 56.100 0.190 0.000 0.957 78 R CB -0.368 30.018 30.300 0.144 0.000 0.867 78 R HN 0.231 nan 8.270 nan 0.000 0.441 79 E N 0.760 121.072 120.200 0.187 0.000 2.047 79 E HA -0.160 4.185 4.350 -0.007 0.000 0.191 79 E C 1.798 178.506 176.600 0.179 0.000 0.987 79 E CA 0.831 57.326 56.400 0.158 0.000 0.799 79 E CB -0.262 29.520 29.700 0.136 0.000 0.752 79 E HN 0.144 nan 8.360 nan 0.000 0.449 80 L N 1.160 122.540 121.223 0.262 0.000 2.043 80 L HA -0.205 4.131 4.340 -0.007 0.000 0.212 80 L C 1.628 178.672 176.870 0.291 0.000 1.075 80 L CA 1.977 56.989 54.840 0.288 0.000 0.752 80 L CB -0.940 41.380 42.059 0.435 0.000 0.891 80 L HN 0.146 nan 8.230 nan 0.000 0.432 81 N N 0.283 119.156 118.700 0.288 0.000 2.104 81 N HA -0.206 4.530 4.740 -0.007 0.000 0.190 81 N C 1.684 177.260 175.510 0.110 0.000 1.024 81 N CA 1.659 54.811 53.050 0.171 0.000 0.853 81 N CB -0.291 38.263 38.487 0.111 0.000 1.008 81 N HN 0.490 nan 8.380 nan 0.000 0.424 82 K N 0.416 120.879 120.400 0.106 0.000 2.362 82 K HA 0.017 4.333 4.320 -0.007 0.000 0.200 82 K C 1.723 178.362 176.600 0.065 0.000 1.046 82 K CA 0.672 57.002 56.287 0.071 0.000 0.952 82 K CB 0.095 32.635 32.500 0.067 0.000 0.753 82 K HN 0.218 nan 8.250 nan 0.000 0.466 83 R N 0.481 121.032 120.500 0.085 0.000 2.237 83 R HA 0.004 4.340 4.340 -0.007 0.000 0.195 83 R C 1.114 177.463 176.300 0.082 0.000 0.956 83 R CA 0.443 56.573 56.100 0.050 0.000 1.029 83 R CB 0.291 30.591 30.300 0.000 0.000 0.972 83 R HN 0.121 nan 8.270 nan 0.000 0.493 84 T N 0.568 115.231 114.554 0.181 0.000 2.913 84 T HA 0.056 4.402 4.350 -0.007 0.000 0.297 84 T C 0.300 175.052 174.700 0.087 0.000 1.029 84 T CA -0.867 61.386 62.100 0.254 0.000 1.104 84 T CB 1.215 70.394 68.868 0.517 0.000 0.964 84 T HN 0.225 nan 8.240 nan 0.000 0.532 85 Q N 2.645 122.447 119.800 0.004 0.000 2.414 85 Q HA 0.097 4.433 4.340 -0.007 0.000 0.288 85 Q C -0.548 175.310 176.000 -0.237 0.000 1.086 85 Q CA -0.370 55.341 55.803 -0.153 0.000 0.943 85 Q CB 0.256 28.824 28.738 -0.283 0.000 1.282 85 Q HN 0.601 nan 8.270 nan 0.000 0.438 86 D N 0.788 121.076 120.400 -0.186 0.000 2.361 86 D HA 0.229 4.865 4.640 -0.007 0.000 0.239 86 D C -0.765 175.336 176.300 -0.331 0.000 1.200 86 D CA 0.422 54.347 54.000 -0.125 0.000 0.915 86 D CB 0.373 41.157 40.800 -0.027 0.000 1.170 86 D HN 0.380 nan 8.370 nan 0.000 0.444 87 F N -0.327 119.596 119.950 -0.045 0.000 2.588 87 F HA 0.252 4.775 4.527 -0.007 0.000 0.314 87 F C -0.091 175.747 175.800 0.064 0.000 1.069 87 F CA -1.097 56.893 58.000 -0.016 0.000 0.931 87 F CB 1.624 40.554 39.000 -0.116 0.000 1.260 87 F HN 0.225 nan 8.300 nan 0.000 0.465 88 W N 3.913 125.285 121.300 0.119 0.000 2.358 88 W HA 0.252 4.908 4.660 -0.007 0.000 0.307 88 W C -0.604 175.948 176.519 0.055 0.000 1.203 88 W CA -0.500 56.879 57.345 0.057 0.000 1.279 88 W CB 0.951 30.427 29.460 0.026 0.000 1.264 88 W HN 0.434 nan 8.180 nan 0.000 0.474 89 E N 4.505 124.374 120.200 -0.551 0.000 2.166 89 E HA -0.023 4.323 4.350 -0.007 0.000 0.279 89 E C 1.165 177.505 176.600 -0.433 0.000 1.095 89 E CA 0.011 56.172 56.400 -0.398 0.000 0.888 89 E CB 1.369 30.855 29.700 -0.357 0.000 1.041 89 E HN 0.520 nan 8.360 nan 0.000 0.414 90 V N 2.175 122.037 119.914 -0.085 0.000 2.255 90 V HA -0.148 3.968 4.120 -0.007 0.000 0.243 90 V C 1.030 177.143 176.094 0.031 0.000 1.038 90 V CA 0.702 63.057 62.300 0.092 0.000 1.008 90 V CB -0.646 31.262 31.823 0.142 0.000 0.645 90 V HN 0.486 nan 8.190 nan 0.000 0.449 91 Q N 0.306 120.105 119.800 -0.002 0.000 2.549 91 Q HA -0.003 4.333 4.340 -0.007 0.000 0.347 91 Q C 0.738 176.713 176.000 -0.041 0.000 1.081 91 Q CA 0.688 56.485 55.803 -0.009 0.000 1.093 91 Q CB 0.353 29.095 28.738 0.007 0.000 1.067 91 Q HN 0.649 nan 8.270 nan 0.000 0.398 92 L N 1.882 123.089 121.223 -0.027 0.000 2.179 92 L HA 0.153 4.489 4.340 -0.007 0.000 0.208 92 L C 1.075 177.911 176.870 -0.056 0.000 1.096 92 L CA 0.890 55.708 54.840 -0.038 0.000 0.779 92 L CB -0.097 41.947 42.059 -0.025 0.000 0.922 92 L HN 0.781 nan 8.230 nan 0.000 0.443 93 G N -0.987 107.779 108.800 -0.057 0.000 2.559 93 G HA2 0.281 4.237 3.960 -0.007 0.000 0.291 93 G HA3 0.281 4.237 3.960 -0.007 0.000 0.291 93 G C -1.590 173.273 174.900 -0.061 0.000 1.424 93 G CA -0.583 44.481 45.100 -0.061 0.000 0.786 93 G HN -0.119 nan 8.290 nan 0.000 0.485 94 I N 0.509 121.037 120.570 -0.069 0.000 2.519 94 I HA 0.540 4.706 4.170 -0.007 0.000 0.287 94 I C -2.198 173.794 176.117 -0.208 0.000 1.047 94 I CA -1.636 59.580 61.300 -0.140 0.000 1.381 94 I CB 1.409 39.325 38.000 -0.141 0.000 1.417 94 I HN 0.146 nan 8.210 nan 0.000 0.540 95 P HA 0.190 nan 4.420 nan 0.000 0.271 95 P C -0.974 176.224 177.300 -0.170 0.000 1.216 95 P CA 0.171 63.147 63.100 -0.206 0.000 0.776 95 P CB 0.266 31.880 31.700 -0.143 0.000 0.881 96 H N 3.886 122.781 119.070 -0.292 0.000 2.457 96 H HA 0.196 4.747 4.556 -0.007 0.000 0.335 96 H C -1.724 173.323 175.328 -0.469 0.000 1.115 96 H CA -2.166 53.628 56.048 -0.424 0.000 1.219 96 H CB 1.726 31.208 29.762 -0.467 0.000 1.471 96 H HN 0.198 nan 8.280 nan 0.000 0.491 97 P HA -0.166 nan 4.420 nan 0.000 0.216 97 P C 1.064 178.035 177.300 -0.548 0.000 1.154 97 P CA 1.971 64.445 63.100 -1.043 0.000 0.865 97 P CB -0.018 30.232 31.700 -2.417 0.000 0.789 98 A N -0.562 122.082 122.820 -0.293 0.000 2.178 98 A HA -0.002 4.314 4.320 -0.007 0.000 0.218 98 A C 2.294 180.200 177.584 0.537 0.000 1.157 98 A CA 1.643 53.971 52.037 0.485 0.000 0.689 98 A CB -1.597 17.866 19.000 0.772 0.000 0.787 98 A HN 0.328 nan 8.150 nan 0.000 0.465 99 G N -0.899 107.998 108.800 0.161 0.000 2.777 99 G HA2 0.285 4.240 3.960 -0.007 0.000 0.211 99 G HA3 0.285 4.240 3.960 -0.007 0.000 0.211 99 G C 0.567 175.590 174.900 0.205 0.000 1.149 99 G CA -0.255 44.852 45.100 0.013 0.000 0.785 99 G HN 0.411 nan 8.290 nan 0.000 0.536 100 L N 0.859 122.243 121.223 0.268 0.000 2.426 100 L HA 0.267 4.603 4.340 -0.007 0.000 0.271 100 L C 0.372 177.443 176.870 0.336 0.000 1.169 100 L CA -0.182 54.812 54.840 0.257 0.000 0.836 100 L CB 0.998 43.192 42.059 0.225 0.000 1.112 100 L HN 0.010 nan 8.230 nan 0.000 0.465 101 K N 2.176 122.700 120.400 0.207 0.000 2.087 101 K HA 0.289 4.604 4.320 -0.007 0.000 0.255 101 K C -0.368 176.176 176.600 -0.094 0.000 0.988 101 K CA -0.784 55.598 56.287 0.157 0.000 0.915 101 K CB 1.037 33.644 32.500 0.179 0.000 1.043 101 K HN 0.327 nan 8.250 nan 0.000 0.457 102 K N 1.975 122.335 120.400 -0.067 0.000 2.350 102 K HA 0.054 4.369 4.320 -0.007 0.000 0.279 102 K C -0.729 175.818 176.600 -0.088 0.000 1.027 102 K CA 0.256 56.453 56.287 -0.150 0.000 0.969 102 K CB 0.467 32.989 32.500 0.035 0.000 0.954 102 K HN 0.253 nan 8.250 nan 0.000 0.474 103 K N 3.558 123.891 120.400 -0.113 0.000 2.482 103 K HA 0.098 4.414 4.320 -0.007 0.000 0.251 103 K C 0.028 176.573 176.600 -0.091 0.000 0.936 103 K CA -0.610 55.631 56.287 -0.076 0.000 0.791 103 K CB 1.794 34.252 32.500 -0.070 0.000 1.213 103 K HN 0.509 nan 8.250 nan 0.000 0.428 104 K N 0.665 121.014 120.400 -0.084 0.000 2.147 104 K HA -0.012 4.304 4.320 -0.007 0.000 0.205 104 K C -0.164 176.329 176.600 -0.178 0.000 1.049 104 K CA 1.112 57.340 56.287 -0.098 0.000 0.936 104 K CB 0.280 32.737 32.500 -0.073 0.000 0.722 104 K HN 0.424 nan 8.250 nan 0.000 0.446 105 S N -0.244 115.289 115.700 -0.278 0.000 2.572 105 S HA 0.422 4.888 4.470 -0.007 0.000 0.274 105 S C -1.371 172.864 174.600 -0.608 0.000 1.150 105 S CA -0.878 57.005 58.200 -0.528 0.000 0.944 105 S CB 2.525 65.260 63.200 -0.774 0.000 1.071 105 S HN -0.053 nan 8.310 nan 0.000 0.479 106 V N 2.405 122.030 119.914 -0.481 0.000 2.841 106 V HA 0.748 4.864 4.120 -0.007 0.000 0.310 106 V C -0.564 175.530 176.094 0.000 0.000 1.090 106 V CA -0.587 61.556 62.300 -0.261 0.000 0.930 106 V CB 2.448 34.183 31.823 -0.147 0.000 1.014 106 V HN 0.909 nan 8.190 nan 0.000 0.425 107 T N 2.547 117.172 114.554 0.120 0.000 2.912 107 T HA 0.634 4.979 4.350 -0.007 0.000 0.299 107 T C -0.934 173.806 174.700 0.067 0.000 1.052 107 T CA -0.555 61.722 62.100 0.296 0.000 0.996 107 T CB 2.067 71.058 68.868 0.205 0.000 1.070 107 T HN 0.355 nan 8.240 nan 0.000 0.465 108 V N 3.718 123.638 119.914 0.010 0.000 2.378 108 V HA 0.451 4.567 4.120 -0.007 0.000 0.288 108 V C -0.332 175.745 176.094 -0.029 0.000 1.016 108 V CA -0.744 61.481 62.300 -0.125 0.000 0.840 108 V CB 1.100 32.743 31.823 -0.300 0.000 0.994 108 V HN 0.700 nan 8.190 nan 0.000 0.431 109 L N 3.694 124.917 121.223 -0.000 0.000 2.343 109 L HA 0.564 4.900 4.340 -0.007 0.000 0.275 109 L C -0.153 176.736 176.870 0.031 0.000 1.056 109 L CA -0.425 54.422 54.840 0.012 0.000 0.804 109 L CB 1.522 43.577 42.059 -0.005 0.000 1.203 109 L HN 0.575 nan 8.230 nan 0.000 0.440 110 D N 1.473 121.882 120.400 0.014 0.000 2.193 110 D HA 0.309 4.945 4.640 -0.007 0.000 0.244 110 D C -0.865 175.438 176.300 0.004 0.000 1.064 110 D CA -0.321 53.680 54.000 0.002 0.000 0.845 110 D CB 1.873 42.658 40.800 -0.025 0.000 1.148 110 D HN 0.080 nan 8.370 nan 0.000 0.464 111 V N 5.093 125.010 119.914 0.005 0.000 2.270 111 V HA 0.396 4.512 4.120 -0.007 0.000 0.263 111 V C 1.465 177.515 176.094 -0.074 0.000 1.066 111 V CA -0.132 62.177 62.300 0.015 0.000 0.857 111 V CB 0.586 32.484 31.823 0.125 0.000 1.099 111 V HN 0.780 nan 8.190 nan 0.000 0.476 112 G N 3.653 112.417 108.800 -0.061 0.000 2.505 112 G HA2 -0.143 3.813 3.960 -0.007 0.000 0.214 112 G HA3 -0.143 3.813 3.960 -0.007 0.000 0.214 112 G C 0.707 175.554 174.900 -0.090 0.000 1.237 112 G CA 0.593 45.640 45.100 -0.089 0.000 0.802 112 G HN 0.783 nan 8.290 nan 0.000 0.549 113 D N 1.730 122.125 120.400 -0.008 0.000 2.745 113 D HA 0.388 5.024 4.640 -0.007 0.000 0.229 113 D C 1.398 177.711 176.300 0.021 0.000 1.088 113 D CA 0.452 54.481 54.000 0.049 0.000 1.054 113 D CB 0.391 41.254 40.800 0.106 0.000 1.132 113 D HN 0.217 nan 8.370 nan 0.000 0.464 114 A N 1.032 123.756 122.820 -0.160 0.000 1.825 114 A HA -0.179 4.137 4.320 -0.007 0.000 0.214 114 A C 1.563 178.998 177.584 -0.248 0.000 1.206 114 A CA 0.811 52.645 52.037 -0.339 0.000 0.609 114 A CB -0.721 17.730 19.000 -0.915 0.000 0.851 114 A HN 0.375 nan 8.150 nan 0.000 0.445 115 Y N -1.555 118.448 120.300 -0.495 0.000 2.286 115 Y HA 0.105 4.651 4.550 -0.007 0.000 0.293 115 Y C 0.966 176.887 175.900 0.035 0.000 1.124 115 Y CA -0.200 57.697 58.100 -0.338 0.000 1.178 115 Y CB -0.592 37.542 38.460 -0.544 0.000 1.010 115 Y HN 0.259 nan 8.280 nan 0.000 0.536 116 F N 0.832 120.871 119.950 0.147 0.000 2.833 116 F HA 0.242 4.765 4.527 -0.007 0.000 0.327 116 F C 0.896 176.766 175.800 0.117 0.000 1.184 116 F CA -0.358 57.724 58.000 0.137 0.000 1.328 116 F CB -0.844 38.225 39.000 0.114 0.000 1.440 116 F HN 0.042 nan 8.300 nan 0.000 0.569 117 S N -1.978 113.910 115.700 0.313 0.000 3.813 117 S HA 0.151 4.616 4.470 -0.007 0.000 0.119 117 S C -0.912 173.827 174.600 0.231 0.000 0.833 117 S CA -0.413 57.924 58.200 0.229 0.000 1.053 117 S CB -0.966 62.349 63.200 0.193 0.000 1.019 117 S HN -0.151 nan 8.310 nan 0.000 0.693 118 V N 3.006 123.073 119.914 0.256 0.000 2.444 118 V HA 0.598 4.714 4.120 -0.007 0.000 0.294 118 V C -2.616 173.589 176.094 0.185 0.000 1.022 118 V CA -1.987 60.452 62.300 0.231 0.000 0.850 118 V CB 1.705 33.705 31.823 0.295 0.000 0.992 118 V HN 0.192 nan 8.190 nan 0.000 0.426 119 P HA 0.171 nan 4.420 nan 0.000 0.269 119 P C -0.665 176.698 177.300 0.104 0.000 1.209 119 P CA -0.219 62.955 63.100 0.123 0.000 0.776 119 P CB 0.660 32.426 31.700 0.110 0.000 0.876 120 L N 2.520 123.794 121.223 0.085 0.000 2.343 120 L HA 0.393 4.729 4.340 -0.007 0.000 0.275 120 L C 0.030 176.939 176.870 0.065 0.000 1.056 120 L CA -0.623 54.246 54.840 0.048 0.000 0.804 120 L CB 0.641 42.701 42.059 0.002 0.000 1.203 120 L HN 0.203 nan 8.230 nan 0.000 0.440 121 D N 2.321 122.760 120.400 0.066 0.000 2.455 121 D HA -0.077 4.559 4.640 -0.007 0.000 0.265 121 D C 1.145 177.510 176.300 0.108 0.000 1.284 121 D CA 0.469 54.524 54.000 0.093 0.000 0.944 121 D CB 0.683 41.544 40.800 0.103 0.000 1.121 121 D HN 0.669 nan 8.370 nan 0.000 0.525 122 E N 3.202 123.448 120.200 0.077 0.000 2.149 122 E HA -0.305 4.040 4.350 -0.007 0.000 0.215 122 E C 0.884 177.509 176.600 0.042 0.000 1.055 122 E CA 2.183 58.615 56.400 0.054 0.000 0.870 122 E CB -0.137 29.589 29.700 0.043 0.000 0.764 122 E HN 0.559 nan 8.360 nan 0.000 0.463 123 D N -1.353 119.086 120.400 0.065 0.000 2.311 123 D HA -0.149 4.487 4.640 -0.007 0.000 0.212 123 D C 1.367 177.678 176.300 0.018 0.000 0.972 123 D CA 0.760 54.787 54.000 0.044 0.000 0.887 123 D CB -0.280 40.578 40.800 0.095 0.000 0.915 123 D HN 0.300 nan 8.370 nan 0.000 0.497 124 F N 0.783 120.685 119.950 -0.079 0.000 2.717 124 F HA 0.151 4.674 4.527 -0.007 0.000 0.295 124 F C 1.920 177.608 175.800 -0.186 0.000 1.117 124 F CA -0.098 57.853 58.000 -0.082 0.000 1.361 124 F CB 0.312 39.326 39.000 0.024 0.000 1.112 124 F HN -0.234 nan 8.300 nan 0.000 0.594 125 R N 1.132 121.591 120.500 -0.069 0.000 2.091 125 R HA -0.206 4.130 4.340 -0.007 0.000 0.238 125 R C 2.197 178.396 176.300 -0.169 0.000 1.136 125 R CA 1.852 57.910 56.100 -0.069 0.000 0.959 125 R CB -0.838 29.461 30.300 -0.003 0.000 0.856 125 R HN 0.373 nan 8.270 nan 0.000 0.437 126 K N 0.393 120.613 120.400 -0.301 0.000 2.218 126 K HA -0.185 4.131 4.320 -0.007 0.000 0.205 126 K C 0.951 177.429 176.600 -0.203 0.000 1.046 126 K CA 1.635 57.770 56.287 -0.252 0.000 0.933 126 K CB -0.317 32.009 32.500 -0.290 0.000 0.728 126 K HN 0.251 nan 8.250 nan 0.000 0.454 127 Y N 2.173 122.284 120.300 -0.315 0.000 2.529 127 Y HA 0.037 4.583 4.550 -0.007 0.000 0.290 127 Y C 1.636 177.426 175.900 -0.184 0.000 1.177 127 Y CA 0.738 58.563 58.100 -0.459 0.000 1.305 127 Y CB -0.083 37.834 38.460 -0.904 0.000 1.047 127 Y HN 0.294 nan 8.280 nan 0.000 0.522 128 T N -2.955 111.651 114.554 0.086 0.000 3.174 128 T HA 0.587 4.933 4.350 -0.007 0.000 0.269 128 T C 0.728 175.711 174.700 0.471 0.000 1.017 128 T CA -0.194 62.100 62.100 0.323 0.000 0.899 128 T CB -0.471 68.563 68.868 0.276 0.000 1.077 128 T HN 0.171 nan 8.240 nan 0.000 0.552 129 A N 1.961 124.966 122.820 0.307 0.000 2.540 129 A HA 0.541 4.857 4.320 -0.007 0.000 0.239 129 A C -0.047 177.751 177.584 0.357 0.000 1.061 129 A CA -0.306 51.879 52.037 0.247 0.000 0.758 129 A CB -0.560 18.538 19.000 0.162 0.000 0.991 129 A HN 0.803 nan 8.150 nan 0.000 0.502 130 F N -0.065 119.949 119.950 0.107 0.000 2.643 130 F HA 0.829 5.352 4.527 -0.007 0.000 0.314 130 F C -0.100 175.721 175.800 0.035 0.000 1.096 130 F CA -0.548 57.483 58.000 0.050 0.000 0.953 130 F CB 1.338 40.356 39.000 0.031 0.000 1.345 130 F HN 0.563 nan 8.300 nan 0.000 0.468 131 T N -0.188 114.426 114.554 0.100 0.000 2.863 131 T HA 0.715 5.061 4.350 -0.007 0.000 0.285 131 T C -0.691 174.061 174.700 0.088 0.000 1.009 131 T CA -0.619 61.469 62.100 -0.020 0.000 0.989 131 T CB 1.504 70.344 68.868 -0.047 0.000 1.004 131 T HN 0.743 nan 8.240 nan 0.000 0.455 132 I N 3.497 124.104 120.570 0.061 0.000 2.352 132 I HA 0.284 4.450 4.170 -0.007 0.000 0.290 132 I C -2.152 173.974 176.117 0.014 0.000 1.036 132 I CA -2.590 58.757 61.300 0.078 0.000 1.336 132 I CB 1.092 39.155 38.000 0.106 0.000 1.407 132 I HN 0.387 nan 8.210 nan 0.000 0.497 133 P HA -0.114 nan 4.420 nan 0.000 0.259 133 P C -0.164 177.132 177.300 -0.007 0.000 1.163 133 P CA 0.278 63.377 63.100 -0.002 0.000 0.760 133 P CB 0.367 32.077 31.700 0.017 0.000 0.762 134 S N 5.056 120.745 115.700 -0.018 0.000 2.503 134 S HA 0.039 4.504 4.470 -0.007 0.000 0.317 134 S C 1.549 176.143 174.600 -0.010 0.000 1.162 134 S CA -0.632 57.555 58.200 -0.022 0.000 1.124 134 S CB -1.172 62.009 63.200 -0.031 0.000 1.207 134 S HN 0.491 nan 8.310 nan 0.000 0.538 135 I N 4.802 125.368 120.570 -0.007 0.000 2.805 135 I HA -0.332 3.834 4.170 -0.007 0.000 0.209 135 I C 0.442 176.558 176.117 -0.001 0.000 0.894 135 I CA 1.909 63.208 61.300 -0.002 0.000 1.196 135 I CB -0.367 37.628 38.000 -0.008 0.000 0.913 135 I HN 0.649 nan 8.210 nan 0.000 0.358 136 N N 0.504 119.200 118.700 -0.008 0.000 2.432 136 N HA 0.274 5.010 4.740 -0.007 0.000 0.292 136 N C -0.710 174.793 175.510 -0.013 0.000 1.193 136 N CA -0.656 52.389 53.050 -0.008 0.000 0.878 136 N CB 0.949 39.431 38.487 -0.009 0.000 1.252 136 N HN 0.279 nan 8.380 nan 0.000 0.520 137 N N 1.397 120.090 118.700 -0.011 0.000 3.301 137 N HA 0.028 4.764 4.740 -0.007 0.000 0.289 137 N C -0.364 175.135 175.510 -0.017 0.000 1.343 137 N CA 0.198 53.239 53.050 -0.015 0.000 1.136 137 N CB 0.749 39.229 38.487 -0.012 0.000 1.402 137 N HN 0.578 nan 8.380 nan 0.000 0.516 138 E N 0.338 120.525 120.200 -0.021 0.000 2.514 138 E HA 0.056 4.402 4.350 -0.007 0.000 0.215 138 E C -0.284 176.298 176.600 -0.029 0.000 0.946 138 E CA 0.524 56.910 56.400 -0.023 0.000 1.038 138 E CB 0.655 30.342 29.700 -0.021 0.000 1.069 138 E HN 0.428 nan 8.360 nan 0.000 0.503 139 T N -2.460 112.074 114.554 -0.033 0.000 2.853 139 T HA 0.590 4.936 4.350 -0.007 0.000 0.311 139 T C -2.830 171.843 174.700 -0.045 0.000 1.307 139 T CA -1.797 60.278 62.100 -0.042 0.000 1.019 139 T CB 1.472 70.312 68.868 -0.047 0.000 1.264 139 T HN -0.288 nan 8.240 nan 0.000 0.497 140 P HA 0.474 nan 4.420 nan 0.000 0.293 140 P C 0.571 177.831 177.300 -0.066 0.000 1.298 140 P CA -0.270 62.794 63.100 -0.060 0.000 0.757 140 P CB -0.047 31.611 31.700 -0.071 0.000 1.262 141 G N -0.584 108.173 108.800 -0.071 0.000 2.588 141 G HA2 0.382 4.338 3.960 -0.007 0.000 0.281 141 G HA3 0.382 4.338 3.960 -0.007 0.000 0.281 141 G C -0.282 174.548 174.900 -0.115 0.000 1.236 141 G CA -0.610 44.446 45.100 -0.074 0.000 0.969 141 G HN 0.355 nan 8.290 nan 0.000 0.504 142 I N 0.925 121.421 120.570 -0.124 0.000 2.505 142 I HA 0.142 4.307 4.170 -0.007 0.000 0.287 142 I C 0.934 176.866 176.117 -0.309 0.000 1.104 142 I CA 0.214 61.376 61.300 -0.229 0.000 1.387 142 I CB 0.209 38.090 38.000 -0.197 0.000 1.404 142 I HN 0.338 nan 8.210 nan 0.000 0.528 143 R N 5.268 125.534 120.500 -0.390 0.000 2.459 143 R HA 0.541 4.877 4.340 -0.007 0.000 0.281 143 R C -1.300 174.602 176.300 -0.664 0.000 1.050 143 R CA -0.288 55.566 56.100 -0.410 0.000 1.055 143 R CB 1.311 31.446 30.300 -0.274 0.000 1.045 143 R HN 0.386 nan 8.270 nan 0.000 0.495 144 Y N -0.414 119.539 120.300 -0.578 0.000 2.670 144 Y HA 0.211 4.756 4.550 -0.007 0.000 0.334 144 Y C -0.657 174.952 175.900 -0.485 0.000 1.185 144 Y CA -0.787 56.932 58.100 -0.636 0.000 1.053 144 Y CB 2.097 39.921 38.460 -1.060 0.000 1.298 144 Y HN 0.527 nan 8.280 nan 0.000 0.459 145 Q N -0.143 119.635 119.800 -0.037 0.000 2.482 145 Q HA 0.497 4.832 4.340 -0.007 0.000 0.286 145 Q C -2.213 173.845 176.000 0.098 0.000 1.007 145 Q CA -1.053 54.809 55.803 0.099 0.000 0.801 145 Q CB 2.185 30.964 28.738 0.069 0.000 1.455 145 Q HN 0.631 nan 8.270 nan 0.000 0.398 146 Y N 1.201 121.604 120.300 0.171 0.000 2.301 146 Y HA 0.249 4.795 4.550 -0.007 0.000 0.328 146 Y C 0.883 176.811 175.900 0.046 0.000 1.242 146 Y CA 0.218 58.385 58.100 0.112 0.000 1.323 146 Y CB 1.024 39.556 38.460 0.120 0.000 1.266 146 Y HN 0.722 nan 8.280 nan 0.000 0.527 147 N N 0.603 119.416 118.700 0.187 0.000 2.184 147 N HA 0.096 4.832 4.740 -0.007 0.000 0.206 147 N C -0.666 174.929 175.510 0.142 0.000 1.151 147 N CA 0.383 53.507 53.050 0.122 0.000 0.878 147 N CB 0.912 39.442 38.487 0.071 0.000 1.014 147 N HN 0.374 nan 8.380 nan 0.000 0.512 148 V N -2.449 117.591 119.914 0.211 0.000 3.156 148 V HA 0.542 4.657 4.120 -0.007 0.000 0.311 148 V C 0.008 176.204 176.094 0.170 0.000 1.208 148 V CA -1.163 61.265 62.300 0.213 0.000 1.063 148 V CB 1.434 33.433 31.823 0.294 0.000 1.098 148 V HN -0.147 nan 8.190 nan 0.000 0.452 149 L N 2.562 123.866 121.223 0.135 0.000 2.597 149 L HA 0.285 4.621 4.340 -0.007 0.000 0.271 149 L C -2.177 174.676 176.870 -0.028 0.000 1.157 149 L CA -1.012 53.820 54.840 -0.014 0.000 0.928 149 L CB -0.082 41.915 42.059 -0.102 0.000 1.216 149 L HN 0.502 nan 8.230 nan 0.000 0.481 150 P HA 0.062 nan 4.420 nan 0.000 0.271 150 P C 0.242 177.481 177.300 -0.102 0.000 1.218 150 P CA -0.411 62.479 63.100 -0.349 0.000 0.780 150 P CB 0.837 31.977 31.700 -0.933 0.000 0.901 151 Q N 3.092 122.962 119.800 0.118 0.000 2.007 151 Q HA -0.202 4.134 4.340 -0.007 0.000 0.214 151 Q C 1.785 177.868 176.000 0.139 0.000 1.031 151 Q CA 2.770 58.655 55.803 0.138 0.000 0.886 151 Q CB -1.391 27.461 28.738 0.190 0.000 0.992 151 Q HN 0.694 nan 8.270 nan 0.000 0.415 152 G N -2.065 106.883 108.800 0.247 0.000 3.523 152 G HA2 0.137 4.093 3.960 -0.007 0.000 0.270 152 G HA3 0.137 4.093 3.960 -0.007 0.000 0.270 152 G C -0.736 174.263 174.900 0.166 0.000 1.134 152 G CA -0.456 44.774 45.100 0.218 0.000 0.825 152 G HN 0.279 nan 8.290 nan 0.000 0.534 153 W N 1.328 122.475 121.300 -0.256 0.000 2.251 153 W HA 0.372 5.028 4.660 -0.007 0.000 0.329 153 W C 1.421 177.764 176.519 -0.293 0.000 1.234 153 W CA -1.227 55.865 57.345 -0.421 0.000 1.228 153 W CB 1.209 30.217 29.460 -0.752 0.000 1.135 153 W HN -0.020 nan 8.180 nan 0.000 0.576 154 K N 2.575 122.344 120.400 -1.052 0.000 2.209 154 K HA -0.104 4.212 4.320 -0.007 0.000 0.204 154 K C 1.554 177.434 176.600 -1.201 0.000 1.048 154 K CA 1.757 57.533 56.287 -0.852 0.000 0.940 154 K CB -0.493 31.677 32.500 -0.550 0.000 0.729 154 K HN 0.763 nan 8.250 nan 0.000 0.451 155 G N -0.434 107.036 108.800 -2.218 0.000 2.777 155 G HA2 -0.062 3.894 3.960 -0.007 0.000 0.211 155 G HA3 -0.062 3.894 3.960 -0.007 0.000 0.211 155 G C 1.230 175.456 174.900 -1.124 0.000 1.149 155 G CA 0.078 43.906 45.100 -2.120 0.000 0.785 155 G HN 0.232 nan 8.290 nan 0.000 0.536 156 S N 1.780 117.036 115.700 -0.740 0.000 2.359 156 S HA -0.082 4.384 4.470 -0.007 0.000 0.224 156 S C -0.010 174.294 174.600 -0.493 0.000 1.035 156 S CA 1.473 59.313 58.200 -0.600 0.000 1.018 156 S CB -0.698 61.856 63.200 -1.077 0.000 0.876 156 S HN 0.300 nan 8.310 nan 0.000 0.448 157 P HA 0.036 nan 4.420 nan 0.000 0.216 157 P C 1.480 178.712 177.300 -0.113 0.000 1.153 157 P CA 1.360 64.401 63.100 -0.097 0.000 0.848 157 P CB -0.146 31.484 31.700 -0.118 0.000 0.787 158 A N -0.639 121.999 122.820 -0.304 0.000 1.902 158 A HA -0.172 4.143 4.320 -0.007 0.000 0.217 158 A C 2.235 179.717 177.584 -0.171 0.000 1.181 158 A CA 1.539 53.422 52.037 -0.256 0.000 0.623 158 A CB -1.640 17.115 19.000 -0.409 0.000 0.818 158 A HN 0.108 nan 8.150 nan 0.000 0.443 159 I N -2.107 118.325 120.570 -0.230 0.000 2.286 159 I HA -0.157 4.009 4.170 -0.007 0.000 0.245 159 I C 2.297 178.417 176.117 0.005 0.000 1.104 159 I CA 1.122 62.372 61.300 -0.085 0.000 1.397 159 I CB -0.278 37.686 38.000 -0.061 0.000 1.072 159 I HN 0.423 nan 8.210 nan 0.000 0.417 160 F N 1.610 121.504 119.950 -0.093 0.000 2.126 160 F HA -0.302 4.221 4.527 -0.007 0.000 0.299 160 F C 2.608 178.404 175.800 -0.007 0.000 1.096 160 F CA 1.995 59.994 58.000 -0.001 0.000 1.255 160 F CB -0.424 38.651 39.000 0.126 0.000 0.997 160 F HN 0.048 nan 8.300 nan 0.000 0.479 161 Q N -0.633 119.104 119.800 -0.105 0.000 2.046 161 Q HA -0.197 4.139 4.340 -0.007 0.000 0.200 161 Q C 2.514 178.409 176.000 -0.176 0.000 0.975 161 Q CA 1.795 57.491 55.803 -0.178 0.000 0.836 161 Q CB -0.430 28.283 28.738 -0.042 0.000 0.896 161 Q HN 0.431 nan 8.270 nan 0.000 0.428 162 S N -0.194 115.445 115.700 -0.101 0.000 2.368 162 S HA -0.220 4.245 4.470 -0.007 0.000 0.226 162 S C 2.019 176.546 174.600 -0.122 0.000 1.044 162 S CA 1.895 60.053 58.200 -0.071 0.000 1.062 162 S CB -0.335 62.852 63.200 -0.021 0.000 0.931 162 S HN 0.510 nan 8.310 nan 0.000 0.440 163 S N 0.787 116.392 115.700 -0.159 0.000 2.368 163 S HA -0.095 4.371 4.470 -0.007 0.000 0.225 163 S C 1.832 176.256 174.600 -0.293 0.000 1.030 163 S CA 1.539 59.628 58.200 -0.184 0.000 0.999 163 S CB -0.424 62.702 63.200 -0.124 0.000 0.844 163 S HN 0.438 nan 8.310 nan 0.000 0.459 164 M N 1.975 121.324 119.600 -0.418 0.000 2.202 164 M HA -0.080 4.395 4.480 -0.007 0.000 0.262 164 M C 1.938 178.087 176.300 -0.252 0.000 1.063 164 M CA 1.483 56.543 55.300 -0.400 0.000 1.097 164 M CB -1.361 30.924 32.600 -0.524 0.000 1.382 164 M HN 0.214 nan 8.290 nan 0.000 0.413 165 T N -0.073 114.365 114.554 -0.193 0.000 2.770 165 T HA -0.110 4.236 4.350 -0.007 0.000 0.263 165 T C 1.788 176.408 174.700 -0.134 0.000 1.039 165 T CA 1.513 63.544 62.100 -0.115 0.000 1.142 165 T CB -0.065 68.764 68.868 -0.066 0.000 0.868 165 T HN 0.394 nan 8.240 nan 0.000 0.435 166 K N 0.660 120.958 120.400 -0.170 0.000 2.063 166 K HA 0.023 4.338 4.320 -0.007 0.000 0.208 166 K C 2.148 178.519 176.600 -0.382 0.000 1.048 166 K CA 1.179 57.346 56.287 -0.201 0.000 0.928 166 K CB -0.282 32.115 32.500 -0.172 0.000 0.713 166 K HN 0.324 nan 8.250 nan 0.000 0.442 167 I N 0.810 121.045 120.570 -0.559 0.000 2.315 167 I HA -0.243 3.923 4.170 -0.007 0.000 0.248 167 I C 1.979 177.867 176.117 -0.381 0.000 1.117 167 I CA 1.099 61.838 61.300 -0.935 0.000 1.404 167 I CB -0.104 37.368 38.000 -0.880 0.000 1.071 167 I HN 0.119 nan 8.210 nan 0.000 0.419 168 L N 0.145 121.265 121.223 -0.171 0.000 2.240 168 L HA -0.109 4.227 4.340 -0.007 0.000 0.211 168 L C 2.472 179.373 176.870 0.052 0.000 1.106 168 L CA 0.649 55.492 54.840 0.005 0.000 0.793 168 L CB -0.489 41.558 42.059 -0.019 0.000 0.927 168 L HN 0.288 nan 8.230 nan 0.000 0.446 169 E N 1.081 121.280 120.200 -0.001 0.000 2.048 169 E HA -0.259 4.087 4.350 -0.007 0.000 0.202 169 E C -0.539 176.088 176.600 0.045 0.000 1.021 169 E CA 1.964 58.378 56.400 0.022 0.000 0.825 169 E CB -0.685 29.016 29.700 0.002 0.000 0.756 169 E HN 0.271 nan 8.360 nan 0.000 0.454 170 P HA -0.178 nan 4.420 nan 0.000 0.216 170 P C 1.189 178.468 177.300 -0.036 0.000 1.157 170 P CA 1.267 64.405 63.100 0.063 0.000 0.880 170 P CB -0.268 31.551 31.700 0.199 0.000 0.791 171 F N 0.477 120.249 119.950 -0.296 0.000 2.365 171 F HA -0.079 4.444 4.527 -0.007 0.000 0.300 171 F C 1.812 177.520 175.800 -0.154 0.000 1.090 171 F CA 1.319 59.118 58.000 -0.336 0.000 1.408 171 F CB -0.203 38.496 39.000 -0.501 0.000 1.060 171 F HN -0.226 nan 8.300 nan 0.000 0.534 172 K N 0.287 120.736 120.400 0.082 0.000 2.031 172 K HA -0.113 4.203 4.320 -0.007 0.000 0.205 172 K C 2.044 178.616 176.600 -0.048 0.000 1.049 172 K CA 1.132 57.447 56.287 0.047 0.000 0.939 172 K CB -0.184 32.363 32.500 0.079 0.000 0.717 172 K HN 0.253 nan 8.250 nan 0.000 0.438 173 K N 1.029 121.403 120.400 -0.044 0.000 1.991 173 K HA -0.163 4.152 4.320 -0.007 0.000 0.212 173 K C 2.141 178.681 176.600 -0.100 0.000 1.049 173 K CA 1.204 57.461 56.287 -0.050 0.000 0.932 173 K CB -0.075 32.410 32.500 -0.026 0.000 0.717 173 K HN 0.062 nan 8.250 nan 0.000 0.441 174 Q N 0.724 120.429 119.800 -0.158 0.000 2.449 174 Q HA -0.117 4.219 4.340 -0.007 0.000 0.214 174 Q C -0.326 175.510 176.000 -0.274 0.000 0.986 174 Q CA 1.262 56.934 55.803 -0.220 0.000 0.893 174 Q CB -0.205 28.356 28.738 -0.296 0.000 0.940 174 Q HN 0.364 nan 8.270 nan 0.000 0.477 175 N N -0.899 117.637 118.700 -0.273 0.000 2.716 175 N HA 0.127 4.863 4.740 -0.007 0.000 0.245 175 N C -2.393 173.052 175.510 -0.108 0.000 1.495 175 N CA -0.761 52.144 53.050 -0.242 0.000 0.759 175 N CB 1.490 39.716 38.487 -0.435 0.000 1.261 175 N HN -0.092 nan 8.380 nan 0.000 0.515 176 P HA -0.013 nan 4.420 nan 0.000 0.225 176 P C 0.315 177.614 177.300 -0.001 0.000 1.156 176 P CA 0.901 63.988 63.100 -0.020 0.000 0.787 176 P CB 0.404 32.093 31.700 -0.017 0.000 0.802 177 D N -0.454 119.940 120.400 -0.010 0.000 2.194 177 D HA -0.001 4.635 4.640 -0.007 0.000 0.204 177 D C 0.854 177.166 176.300 0.019 0.000 0.964 177 D CA 0.611 54.616 54.000 0.008 0.000 0.846 177 D CB -0.403 40.398 40.800 0.002 0.000 0.962 177 D HN 0.212 nan 8.370 nan 0.000 0.490 178 I N 1.550 122.129 120.570 0.015 0.000 2.496 178 I HA 0.043 4.209 4.170 -0.007 0.000 0.285 178 I C 0.294 176.428 176.117 0.028 0.000 1.080 178 I CA -0.672 60.645 61.300 0.029 0.000 1.404 178 I CB 1.232 39.266 38.000 0.057 0.000 1.403 178 I HN -0.222 nan 8.210 nan 0.000 0.539 179 V N 6.372 126.279 119.914 -0.012 0.000 2.427 179 V HA 0.632 4.748 4.120 -0.007 0.000 0.286 179 V C -0.400 175.569 176.094 -0.207 0.000 1.034 179 V CA -0.400 61.863 62.300 -0.063 0.000 0.893 179 V CB 1.420 33.212 31.823 -0.052 0.000 0.982 179 V HN 0.563 nan 8.190 nan 0.000 0.452 180 I N 5.884 126.367 120.570 -0.145 0.000 2.509 180 I HA 0.565 4.731 4.170 -0.007 0.000 0.293 180 I C -1.323 174.817 176.117 0.038 0.000 1.020 180 I CA -0.611 60.617 61.300 -0.119 0.000 1.088 180 I CB 2.251 40.257 38.000 0.011 0.000 1.267 180 I HN 0.612 nan 8.210 nan 0.000 0.430 181 Y N 4.173 124.560 120.300 0.145 0.000 2.361 181 Y HA 0.403 4.948 4.550 -0.007 0.000 0.337 181 Y C -0.132 175.956 175.900 0.312 0.000 0.965 181 Y CA -1.220 56.978 58.100 0.163 0.000 1.091 181 Y CB 1.299 39.785 38.460 0.042 0.000 1.182 181 Y HN 0.425 nan 8.280 nan 0.000 0.450 182 Q N 3.326 123.399 119.800 0.454 0.000 2.257 182 Q HA 0.317 4.653 4.340 -0.007 0.000 0.255 182 Q C -2.035 174.248 176.000 0.472 0.000 0.920 182 Q CA -0.594 55.438 55.803 0.381 0.000 0.927 182 Q CB 1.471 30.312 28.738 0.172 0.000 1.229 182 Q HN 0.838 nan 8.270 nan 0.000 0.433 183 Y N 5.411 125.878 120.300 0.279 0.000 2.330 183 Y HA 0.206 4.752 4.550 -0.007 0.000 0.324 183 Y C 0.374 176.283 175.900 0.014 0.000 1.093 183 Y CA -0.295 57.852 58.100 0.078 0.000 1.103 183 Y CB 0.802 39.177 38.460 -0.142 0.000 1.183 183 Y HN 0.963 nan 8.280 nan 0.000 0.433 184 M N 1.276 120.585 119.600 -0.486 0.000 7.319 184 M HA -0.392 4.084 4.480 -0.007 0.000 0.330 184 M C 0.568 176.816 176.300 -0.087 0.000 0.480 184 M CA 2.420 57.513 55.300 -0.345 0.000 1.311 184 M CB -0.761 31.514 32.600 -0.542 0.000 0.421 184 M HN 0.771 nan 8.290 nan 0.000 0.884 185 D N -0.012 120.273 120.400 -0.192 0.000 2.342 185 D HA 0.181 4.817 4.640 -0.007 0.000 0.221 185 D C -0.415 175.885 176.300 0.001 0.000 1.101 185 D CA 0.214 54.147 54.000 -0.112 0.000 0.837 185 D CB -0.332 40.312 40.800 -0.260 0.000 0.938 185 D HN 0.270 nan 8.370 nan 0.000 0.508 186 D N 0.740 121.179 120.400 0.065 0.000 2.177 186 D HA 0.351 4.987 4.640 -0.007 0.000 0.247 186 D C -0.746 175.784 176.300 0.383 0.000 1.063 186 D CA -0.535 53.594 54.000 0.215 0.000 0.867 186 D CB 2.189 43.117 40.800 0.213 0.000 1.168 186 D HN 0.024 nan 8.370 nan 0.000 0.445 187 L N 4.014 125.423 121.223 0.309 0.000 2.372 187 L HA 0.259 4.595 4.340 -0.007 0.000 0.273 187 L C -1.450 175.497 176.870 0.129 0.000 0.989 187 L CA -0.859 54.130 54.840 0.248 0.000 0.841 187 L CB 1.121 43.245 42.059 0.109 0.000 1.225 187 L HN 0.246 nan 8.230 nan 0.000 0.414 188 Y N 5.410 125.611 120.300 -0.164 0.000 2.327 188 Y HA 0.649 5.195 4.550 -0.007 0.000 0.336 188 Y C -1.015 174.651 175.900 -0.390 0.000 1.035 188 Y CA -0.526 57.242 58.100 -0.553 0.000 1.165 188 Y CB 1.047 38.668 38.460 -1.398 0.000 1.181 188 Y HN 0.321 nan 8.280 nan 0.000 0.494 189 V N 6.543 126.076 119.914 -0.634 0.000 2.444 189 V HA 0.718 4.834 4.120 -0.007 0.000 0.294 189 V C 0.204 175.943 176.094 -0.591 0.000 1.022 189 V CA -0.431 61.590 62.300 -0.464 0.000 0.850 189 V CB 1.218 32.916 31.823 -0.208 0.000 0.992 189 V HN 1.025 nan 8.190 nan 0.000 0.426 190 G N 2.692 111.203 108.800 -0.481 0.000 2.481 190 G HA2 0.841 4.797 3.960 -0.007 0.000 0.315 190 G HA3 0.841 4.797 3.960 -0.007 0.000 0.315 190 G C -0.624 174.245 174.900 -0.050 0.000 1.231 190 G CA -0.141 44.781 45.100 -0.297 0.000 0.968 190 G HN 1.028 nan 8.290 nan 0.000 0.482 191 S N -0.621 115.074 115.700 -0.007 0.000 2.643 191 S HA 0.491 4.957 4.470 -0.007 0.000 0.270 191 S C -0.940 173.653 174.600 -0.012 0.000 1.166 191 S CA -0.728 57.498 58.200 0.044 0.000 0.815 191 S CB 2.065 65.366 63.200 0.168 0.000 1.139 191 S HN 0.291 nan 8.310 nan 0.000 0.472 192 D N 0.555 120.959 120.400 0.006 0.000 2.363 192 D HA 0.323 4.959 4.640 -0.007 0.000 0.214 192 D C 0.461 176.758 176.300 -0.004 0.000 1.093 192 D CA -0.031 53.961 54.000 -0.013 0.000 0.837 192 D CB -0.036 40.762 40.800 -0.004 0.000 0.948 192 D HN 0.427 nan 8.370 nan 0.000 0.507 193 L N 0.968 122.208 121.223 0.030 0.000 2.492 193 L HA -0.001 4.335 4.340 -0.007 0.000 0.280 193 L C 1.061 177.944 176.870 0.022 0.000 1.240 193 L CA 0.067 54.935 54.840 0.047 0.000 0.831 193 L CB 0.254 42.381 42.059 0.113 0.000 1.100 193 L HN -0.170 nan 8.230 nan 0.000 0.505 194 E N 0.779 120.994 120.200 0.025 0.000 2.392 194 E HA 0.018 4.364 4.350 -0.007 0.000 0.264 194 E C 0.745 177.365 176.600 0.033 0.000 1.024 194 E CA -0.042 56.366 56.400 0.013 0.000 0.903 194 E CB 0.773 30.482 29.700 0.014 0.000 0.963 194 E HN 0.293 nan 8.360 nan 0.000 0.432 195 I N 2.664 123.235 120.570 0.002 0.000 2.502 195 I HA -0.176 3.990 4.170 -0.007 0.000 0.258 195 I C 1.910 178.064 176.117 0.062 0.000 1.172 195 I CA 1.668 62.976 61.300 0.013 0.000 1.430 195 I CB -0.602 37.384 38.000 -0.023 0.000 1.086 195 I HN 0.654 nan 8.210 nan 0.000 0.440 196 G N -0.128 108.699 108.800 0.045 0.000 2.404 196 G HA2 -0.178 3.778 3.960 -0.007 0.000 0.214 196 G HA3 -0.178 3.778 3.960 -0.007 0.000 0.214 196 G C 1.586 176.517 174.900 0.051 0.000 1.189 196 G CA 0.346 45.471 45.100 0.042 0.000 0.789 196 G HN 0.444 nan 8.290 nan 0.000 0.533 197 Q N -0.749 119.083 119.800 0.054 0.000 2.137 197 Q HA -0.015 4.321 4.340 -0.007 0.000 0.198 197 Q C 2.289 178.325 176.000 0.060 0.000 0.960 197 Q CA 0.877 56.708 55.803 0.046 0.000 0.847 197 Q CB -0.354 28.405 28.738 0.036 0.000 0.915 197 Q HN 0.612 nan 8.270 nan 0.000 0.448 198 H N 1.439 120.508 119.070 -0.002 0.000 2.290 198 H HA -0.114 4.438 4.556 -0.007 0.000 0.298 198 H C 2.119 177.451 175.328 0.006 0.000 1.087 198 H CA 1.525 57.571 56.048 -0.004 0.000 1.291 198 H CB 0.150 29.898 29.762 -0.024 0.000 1.369 198 H HN 0.020 nan 8.280 nan 0.000 0.492 199 R N 0.457 121.040 120.500 0.139 0.000 2.139 199 R HA -0.097 4.239 4.340 -0.007 0.000 0.243 199 R C 2.136 178.428 176.300 -0.013 0.000 1.145 199 R CA 1.632 57.773 56.100 0.068 0.000 0.976 199 R CB -0.832 29.525 30.300 0.095 0.000 0.866 199 R HN 0.432 nan 8.270 nan 0.000 0.449 200 T N 0.926 115.479 114.554 -0.003 0.000 2.770 200 T HA -0.026 4.319 4.350 -0.007 0.000 0.263 200 T C 1.686 176.385 174.700 -0.003 0.000 1.039 200 T CA 0.755 62.858 62.100 0.004 0.000 1.142 200 T CB 0.023 68.900 68.868 0.015 0.000 0.868 200 T HN 0.087 nan 8.240 nan 0.000 0.435 201 K N 1.176 121.558 120.400 -0.030 0.000 2.211 201 K HA 0.032 4.348 4.320 -0.007 0.000 0.204 201 K C 2.070 178.692 176.600 0.036 0.000 1.047 201 K CA 0.674 56.970 56.287 0.014 0.000 0.935 201 K CB -0.498 31.988 32.500 -0.023 0.000 0.728 201 K HN 0.335 nan 8.250 nan 0.000 0.452 202 I N 1.120 121.625 120.570 -0.108 0.000 2.233 202 I HA -0.207 3.958 4.170 -0.007 0.000 0.243 202 I C 1.819 177.912 176.117 -0.040 0.000 1.093 202 I CA 1.194 62.426 61.300 -0.114 0.000 1.380 202 I CB -0.950 36.961 38.000 -0.148 0.000 1.067 202 I HN 0.242 nan 8.210 nan 0.000 0.413 203 E N 0.867 121.064 120.200 -0.006 0.000 2.130 203 E HA -0.246 4.100 4.350 -0.007 0.000 0.196 203 E C 1.983 178.613 176.600 0.050 0.000 0.998 203 E CA 1.323 57.735 56.400 0.020 0.000 0.806 203 E CB -0.181 29.536 29.700 0.028 0.000 0.738 203 E HN 0.562 nan 8.360 nan 0.000 0.459 204 E N 0.581 120.837 120.200 0.094 0.000 2.051 204 E HA -0.186 4.160 4.350 -0.007 0.000 0.192 204 E C 2.119 178.843 176.600 0.206 0.000 0.991 204 E CA 0.727 57.238 56.400 0.185 0.000 0.799 204 E CB -0.113 29.741 29.700 0.258 0.000 0.748 204 E HN 0.106 nan 8.360 nan 0.000 0.449 205 L N 1.615 122.864 121.223 0.043 0.000 2.042 205 L HA -0.204 4.132 4.340 -0.007 0.000 0.210 205 L C 2.094 178.881 176.870 -0.140 0.000 1.076 205 L CA 1.760 56.342 54.840 -0.429 0.000 0.749 205 L CB -0.214 41.396 42.059 -0.749 0.000 0.893 205 L HN -0.047 nan 8.230 nan 0.000 0.432 206 R N -0.962 119.501 120.500 -0.062 0.000 2.127 206 R HA -0.185 4.151 4.340 -0.007 0.000 0.238 206 R C 2.215 178.532 176.300 0.029 0.000 1.134 206 R CA 1.821 57.911 56.100 -0.017 0.000 0.975 206 R CB -0.383 29.915 30.300 -0.003 0.000 0.865 206 R HN 0.604 nan 8.270 nan 0.000 0.447 207 Q N -0.903 118.937 119.800 0.067 0.000 2.062 207 Q HA -0.163 4.173 4.340 -0.007 0.000 0.196 207 Q C 1.960 178.040 176.000 0.133 0.000 0.967 207 Q CA 1.349 57.207 55.803 0.091 0.000 0.832 207 Q CB -0.233 28.567 28.738 0.103 0.000 0.899 207 Q HN 0.416 nan 8.270 nan 0.000 0.442 208 H N 1.200 120.331 119.070 0.102 0.000 2.267 208 H HA -0.193 4.359 4.556 -0.007 0.000 0.291 208 H C 1.800 177.257 175.328 0.216 0.000 1.094 208 H CA 2.104 58.259 56.048 0.178 0.000 1.227 208 H CB -0.377 29.500 29.762 0.192 0.000 1.351 208 H HN 0.122 nan 8.280 nan 0.000 0.483 209 L N -0.306 120.907 121.223 -0.016 0.000 2.012 209 L HA -0.187 4.149 4.340 -0.007 0.000 0.210 209 L C 2.855 179.751 176.870 0.043 0.000 1.073 209 L CA 1.244 56.064 54.840 -0.034 0.000 0.748 209 L CB -0.569 41.478 42.059 -0.018 0.000 0.891 209 L HN 0.365 nan 8.230 nan 0.000 0.431 210 L N -0.055 121.192 121.223 0.039 0.000 2.081 210 L HA -0.277 4.059 4.340 -0.007 0.000 0.212 210 L C 2.886 179.774 176.870 0.031 0.000 1.080 210 L CA 1.575 56.440 54.840 0.041 0.000 0.754 210 L CB -0.256 41.824 42.059 0.036 0.000 0.893 210 L HN 0.304 nan 8.230 nan 0.000 0.433 211 R N -1.527 118.979 120.500 0.010 0.000 2.152 211 R HA -0.200 4.135 4.340 -0.007 0.000 0.232 211 R C 1.613 177.831 176.300 -0.136 0.000 1.117 211 R CA 1.664 57.721 56.100 -0.071 0.000 0.981 211 R CB -0.257 29.980 30.300 -0.105 0.000 0.870 211 R HN 0.438 nan 8.270 nan 0.000 0.451 212 W N -0.537 120.688 121.300 -0.125 0.000 3.290 212 W HA 0.192 4.848 4.660 -0.007 0.000 0.287 212 W C 1.105 177.600 176.519 -0.041 0.000 1.288 212 W CA 0.722 58.008 57.345 -0.100 0.000 1.725 212 W CB 0.763 30.122 29.460 -0.169 0.000 1.103 212 W HN 0.320 nan 8.180 nan 0.000 0.670 213 G N -0.789 108.098 108.800 0.146 0.000 2.201 213 G HA2 -0.218 3.738 3.960 -0.007 0.000 0.212 213 G HA3 -0.218 3.738 3.960 -0.007 0.000 0.212 213 G C -0.167 174.801 174.900 0.114 0.000 0.994 213 G CA -0.474 44.696 45.100 0.117 0.000 0.644 213 G HN -0.038 nan 8.290 nan 0.000 0.508 214 L N 2.987 124.279 121.223 0.116 0.000 2.264 214 L HA 0.520 4.856 4.340 -0.007 0.000 0.289 214 L C 1.354 178.263 176.870 0.066 0.000 1.044 214 L CA 0.321 55.220 54.840 0.098 0.000 0.807 214 L CB 0.230 42.347 42.059 0.096 0.000 1.192 214 L HN 0.447 nan 8.230 nan 0.000 0.425 215 T N -0.032 114.558 114.554 0.060 0.000 2.754 215 T HA 0.582 4.928 4.350 -0.007 0.000 0.286 215 T C 0.261 174.979 174.700 0.030 0.000 0.997 215 T CA -0.312 61.812 62.100 0.041 0.000 0.982 215 T CB 1.263 70.153 68.868 0.037 0.000 1.027 215 T HN 0.701 nan 8.240 nan 0.000 0.529 216 T N -0.885 113.681 114.554 0.020 0.000 3.888 216 T HA 0.364 4.710 4.350 -0.007 0.000 0.274 216 T C -3.148 171.559 174.700 0.012 0.000 0.639 216 T CA -1.129 60.978 62.100 0.013 0.000 1.047 216 T CB -0.005 68.868 68.868 0.009 0.000 1.111 216 T HN 0.537 nan 8.240 nan 0.000 0.497 217 P HA 0.142 nan 4.420 nan 0.000 0.267 217 P C 0.148 177.460 177.300 0.020 0.000 1.201 217 P CA -0.031 63.074 63.100 0.009 0.000 0.775 217 P CB 0.378 32.073 31.700 -0.008 0.000 0.854 218 D N 1.488 121.904 120.400 0.027 0.000 2.383 218 D HA -0.084 4.552 4.640 -0.007 0.000 0.275 218 D C 1.166 177.496 176.300 0.051 0.000 1.344 218 D CA 0.413 54.437 54.000 0.039 0.000 0.984 218 D CB 0.184 41.008 40.800 0.040 0.000 1.104 218 D HN 0.158 nan 8.370 nan 0.000 0.524 219 K N 2.942 123.375 120.400 0.055 0.000 2.000 219 K HA -0.286 4.029 4.320 -0.007 0.000 0.218 219 K C 1.634 178.298 176.600 0.106 0.000 1.053 219 K CA 1.586 57.915 56.287 0.069 0.000 0.946 219 K CB -0.078 32.468 32.500 0.077 0.000 0.723 219 K HN 0.414 nan 8.250 nan 0.000 0.446 220 K N -0.900 119.563 120.400 0.104 0.000 2.342 220 K HA -0.397 3.919 4.320 -0.007 0.000 0.205 220 K C 1.195 177.894 176.600 0.165 0.000 0.693 220 K CA 2.441 58.794 56.287 0.111 0.000 0.967 220 K CB -0.757 31.794 32.500 0.085 0.000 0.535 220 K HN 0.537 nan 8.250 nan 0.000 0.902 221 H N -0.571 118.519 119.070 0.033 0.000 1.452 221 H HA -0.304 4.248 4.556 -0.007 0.000 0.090 221 H C -0.237 175.110 175.328 0.031 0.000 0.625 221 H CA 2.214 58.279 56.048 0.028 0.000 1.901 221 H CB -0.991 28.785 29.762 0.023 0.000 2.257 221 H HN 0.641 nan 8.280 nan 0.000 0.961 222 Q N 0.929 120.462 119.800 -0.445 0.000 2.147 222 Q HA 0.312 4.648 4.340 -0.007 0.000 0.287 222 Q C 0.238 176.145 176.000 -0.155 0.000 0.863 222 Q CA -0.008 55.615 55.803 -0.299 0.000 1.073 222 Q CB 0.643 29.162 28.738 -0.365 0.000 1.298 222 Q HN 0.467 nan 8.270 nan 0.000 0.411 223 K N 1.284 121.678 120.400 -0.010 0.000 2.402 223 K HA 0.010 4.326 4.320 -0.007 0.000 0.204 223 K C 1.551 178.208 176.600 0.096 0.000 1.056 223 K CA 0.436 56.761 56.287 0.063 0.000 1.069 223 K CB 0.674 33.252 32.500 0.132 0.000 0.888 223 K HN 0.341 nan 8.250 nan 0.000 0.546 224 E N 1.313 121.571 120.200 0.097 0.000 2.265 224 E HA -0.126 4.220 4.350 -0.007 0.000 0.196 224 E C -1.278 175.413 176.600 0.152 0.000 0.996 224 E CA 0.709 57.191 56.400 0.137 0.000 0.832 224 E CB -0.853 28.913 29.700 0.109 0.000 0.756 224 E HN 0.225 nan 8.360 nan 0.000 0.491 225 P HA -0.086 nan 4.420 nan 0.000 0.213 225 P C -1.181 176.223 177.300 0.175 0.000 1.170 225 P CA 1.782 64.956 63.100 0.124 0.000 0.902 225 P CB -0.997 30.763 31.700 0.099 0.000 0.789 226 P HA 0.100 nan 4.420 nan 0.000 0.215 226 P C -0.271 177.188 177.300 0.265 0.000 1.157 226 P CA 0.276 63.504 63.100 0.213 0.000 0.869 226 P CB 0.233 32.037 31.700 0.174 0.000 0.781 227 F N -1.014 118.965 119.950 0.049 0.000 2.169 227 F HA -0.099 4.424 4.527 -0.007 0.000 0.526 227 F C -1.516 174.346 175.800 0.102 0.000 1.294 227 F CA -0.436 57.601 58.000 0.062 0.000 1.686 227 F CB -1.329 37.697 39.000 0.044 0.000 2.697 227 F HN -0.222 nan 8.300 nan 0.000 0.724 228 L N 5.096 126.213 121.223 -0.177 0.000 2.313 228 L HA 0.448 4.784 4.340 -0.007 0.000 0.283 228 L C -0.906 175.951 176.870 -0.021 0.000 1.013 228 L CA -0.591 54.224 54.840 -0.043 0.000 0.816 228 L CB 1.523 43.567 42.059 -0.024 0.000 1.236 228 L HN 0.599 nan 8.230 nan 0.000 0.419 229 W N 7.309 128.550 121.300 -0.098 0.000 2.424 229 W HA 0.465 5.121 4.660 -0.007 0.000 0.318 229 W C 0.358 176.759 176.519 -0.197 0.000 1.016 229 W CA -1.549 55.750 57.345 -0.076 0.000 1.268 229 W CB 1.183 30.696 29.460 0.087 0.000 1.297 229 W HN 0.587 nan 8.180 nan 0.000 0.428 230 M N 5.152 124.373 119.600 -0.631 0.000 2.212 230 M HA -0.203 4.273 4.480 -0.007 0.000 0.193 230 M C 0.853 176.656 176.300 -0.829 0.000 0.493 230 M CA 1.772 56.600 55.300 -0.787 0.000 0.427 230 M CB -2.093 29.876 32.600 -1.052 0.000 1.120 230 M HN 1.387 nan 8.290 nan 0.000 0.929 231 G N -1.393 107.097 108.800 -0.516 0.000 2.205 231 G HA2 -0.303 3.653 3.960 -0.007 0.000 0.261 231 G HA3 -0.303 3.653 3.960 -0.007 0.000 0.261 231 G C -0.251 174.730 174.900 0.136 0.000 0.980 231 G CA 0.569 45.481 45.100 -0.314 0.000 0.632 231 G HN 0.912 nan 8.290 nan 0.000 0.533 232 Y N 1.089 121.501 120.300 0.187 0.000 2.310 232 Y HA 0.609 5.155 4.550 -0.007 0.000 0.326 232 Y C 0.782 176.810 175.900 0.213 0.000 1.151 232 Y CA -1.911 56.314 58.100 0.208 0.000 1.195 232 Y CB 0.717 39.257 38.460 0.133 0.000 1.210 232 Y HN 0.180 nan 8.280 nan 0.000 0.483 233 E N 3.206 123.644 120.200 0.398 0.000 2.130 233 E HA 0.311 4.657 4.350 -0.007 0.000 0.284 233 E C -1.063 175.708 176.600 0.286 0.000 1.018 233 E CA -0.278 56.268 56.400 0.243 0.000 0.817 233 E CB 0.641 30.430 29.700 0.149 0.000 1.078 233 E HN 0.472 nan 8.360 nan 0.000 0.396 234 L N 4.696 126.121 121.223 0.336 0.000 2.272 234 L HA 0.321 4.656 4.340 -0.007 0.000 0.284 234 L C 0.001 177.068 176.870 0.328 0.000 1.045 234 L CA -0.399 54.744 54.840 0.505 0.000 0.842 234 L CB 0.104 42.571 42.059 0.680 0.000 1.224 234 L HN 0.540 nan 8.230 nan 0.000 0.430 235 H N 3.076 122.413 119.070 0.445 0.000 2.497 235 H HA 0.245 4.797 4.556 -0.007 0.000 0.348 235 H C -1.452 174.067 175.328 0.319 0.000 1.335 235 H CA -1.349 54.873 56.048 0.290 0.000 1.395 235 H CB 0.631 30.513 29.762 0.200 0.000 1.658 235 H HN 0.287 nan 8.280 nan 0.000 0.613 236 P HA -0.133 nan 4.420 nan 0.000 0.215 236 P C 0.231 177.760 177.300 0.382 0.000 1.157 236 P CA 1.531 64.782 63.100 0.251 0.000 0.863 236 P CB 0.363 32.141 31.700 0.129 0.000 0.787 237 D N -1.366 119.224 120.400 0.317 0.000 2.433 237 D HA 0.100 4.736 4.640 -0.007 0.000 0.211 237 D C 0.666 177.042 176.300 0.125 0.000 1.114 237 D CA 0.362 54.523 54.000 0.268 0.000 0.837 237 D CB 0.755 41.627 40.800 0.121 0.000 0.984 237 D HN 0.386 nan 8.370 nan 0.000 0.505 238 K N -0.224 120.219 120.400 0.071 0.000 2.642 238 K HA 0.309 4.625 4.320 -0.007 0.000 0.290 238 K C -1.494 175.075 176.600 -0.051 0.000 1.006 238 K CA -1.140 54.986 56.287 -0.269 0.000 0.869 238 K CB 1.181 33.553 32.500 -0.214 0.000 1.499 238 K HN -0.071 nan 8.250 nan 0.000 0.403 239 W N 0.500 121.705 121.300 -0.158 0.000 2.719 239 W HA 0.752 5.408 4.660 -0.007 0.000 0.352 239 W C -1.474 175.109 176.519 0.107 0.000 1.085 239 W CA -1.048 56.324 57.345 0.044 0.000 1.187 239 W CB 1.393 30.848 29.460 -0.008 0.000 1.417 239 W HN 0.515 nan 8.180 nan 0.000 0.557 240 T N 1.145 115.985 114.554 0.476 0.000 2.933 240 T HA 0.365 4.711 4.350 -0.007 0.000 0.305 240 T C -1.127 173.770 174.700 0.328 0.000 1.092 240 T CA -0.540 61.710 62.100 0.250 0.000 1.008 240 T CB 2.334 71.338 68.868 0.228 0.000 1.102 240 T HN 0.291 nan 8.240 nan 0.000 0.469 241 V N 3.876 123.914 119.914 0.207 0.000 2.334 241 V HA 0.329 4.444 4.120 -0.007 0.000 0.281 241 V C 0.001 176.203 176.094 0.181 0.000 1.016 241 V CA -0.854 61.601 62.300 0.258 0.000 0.832 241 V CB 1.419 33.370 31.823 0.214 0.000 0.999 241 V HN 0.742 nan 8.190 nan 0.000 0.439 242 Q N 5.119 125.048 119.800 0.215 0.000 2.421 242 Q HA 0.261 4.597 4.340 -0.007 0.000 0.255 242 Q C -2.259 173.864 176.000 0.205 0.000 1.013 242 Q CA -1.952 53.954 55.803 0.173 0.000 0.895 242 Q CB 0.279 29.114 28.738 0.161 0.000 1.271 242 Q HN 0.424 nan 8.270 nan 0.000 0.460 243 P HA 0.005 nan 4.420 nan 0.000 0.262 243 P C -0.505 176.876 177.300 0.134 0.000 1.182 243 P CA 0.324 63.512 63.100 0.147 0.000 0.761 243 P CB 0.303 32.060 31.700 0.096 0.000 0.795 244 I N 3.204 123.843 120.570 0.114 0.000 2.472 244 I HA 0.199 4.365 4.170 -0.007 0.000 0.290 244 I C 0.357 176.505 176.117 0.051 0.000 1.016 244 I CA -0.438 60.929 61.300 0.112 0.000 1.348 244 I CB 1.096 39.190 38.000 0.156 0.000 1.417 244 I HN 0.100 nan 8.210 nan 0.000 0.521 245 V N 5.628 125.577 119.914 0.059 0.000 2.357 245 V HA 0.548 4.664 4.120 -0.007 0.000 0.284 245 V C -0.645 175.481 176.094 0.053 0.000 1.018 245 V CA -0.747 61.579 62.300 0.044 0.000 0.841 245 V CB 1.204 33.050 31.823 0.038 0.000 0.991 245 V HN 0.381 nan 8.190 nan 0.000 0.437 246 L N 7.153 128.412 121.223 0.059 0.000 2.326 246 L HA 0.629 4.965 4.340 -0.007 0.000 0.278 246 L C -1.862 175.081 176.870 0.123 0.000 1.092 246 L CA -1.930 52.969 54.840 0.098 0.000 0.810 246 L CB 0.339 42.453 42.059 0.092 0.000 1.153 246 L HN 0.546 nan 8.230 nan 0.000 0.439 247 P HA 0.095 nan 4.420 nan 0.000 0.266 247 P C -0.905 176.482 177.300 0.145 0.000 1.193 247 P CA -0.035 63.112 63.100 0.079 0.000 0.770 247 P CB 0.395 32.082 31.700 -0.022 0.000 0.836 248 E N 3.140 123.365 120.200 0.042 0.000 2.179 248 E HA 0.554 4.900 4.350 -0.007 0.000 0.275 248 E C -0.018 176.545 176.600 -0.062 0.000 0.945 248 E CA -0.864 55.584 56.400 0.081 0.000 0.792 248 E CB 1.636 31.370 29.700 0.057 0.000 1.125 248 E HN 0.406 nan 8.360 nan 0.000 0.397 249 K N 1.408 121.785 120.400 -0.038 0.000 2.889 249 K HA 0.249 4.565 4.320 -0.007 0.000 0.290 249 K C -0.626 175.957 176.600 -0.030 0.000 1.035 249 K CA -0.741 55.432 56.287 -0.190 0.000 0.776 249 K CB 0.604 32.807 32.500 -0.495 0.000 1.457 249 K HN 0.334 nan 8.250 nan 0.000 0.363 250 D N 0.310 120.654 120.400 -0.093 0.000 2.504 250 D HA 0.068 4.704 4.640 -0.007 0.000 0.276 250 D C -0.398 175.949 176.300 0.079 0.000 1.073 250 D CA 0.498 54.554 54.000 0.094 0.000 0.905 250 D CB 0.569 41.410 40.800 0.068 0.000 1.350 250 D HN 0.498 nan 8.370 nan 0.000 0.496 251 S N 0.592 116.231 115.700 -0.101 0.000 2.429 251 S HA 0.287 4.753 4.470 -0.007 0.000 0.292 251 S C -0.623 173.854 174.600 -0.204 0.000 1.183 251 S CA -0.479 57.669 58.200 -0.087 0.000 1.088 251 S CB -0.419 62.718 63.200 -0.106 0.000 1.018 251 S HN 0.157 nan 8.310 nan 0.000 0.511 252 W N 2.041 123.317 121.300 -0.041 0.000 2.471 252 W HA 0.427 5.083 4.660 -0.007 0.000 0.318 252 W C 0.647 177.135 176.519 -0.052 0.000 1.034 252 W CA -0.672 56.647 57.345 -0.043 0.000 1.224 252 W CB 1.500 30.939 29.460 -0.035 0.000 1.335 252 W HN 0.695 nan 8.180 nan 0.000 0.452 253 T N -1.579 113.061 114.554 0.144 0.000 2.862 253 T HA 0.251 4.596 4.350 -0.007 0.000 0.276 253 T C 0.981 175.725 174.700 0.073 0.000 0.974 253 T CA -0.771 61.362 62.100 0.055 0.000 0.966 253 T CB 1.129 69.979 68.868 -0.030 0.000 1.072 253 T HN 0.187 nan 8.240 nan 0.000 0.538 254 V N 1.407 121.327 119.914 0.011 0.000 2.287 254 V HA -0.226 3.890 4.120 -0.007 0.000 0.248 254 V C 2.877 178.981 176.094 0.017 0.000 1.053 254 V CA 2.296 64.601 62.300 0.008 0.000 1.027 254 V CB -1.146 30.663 31.823 -0.022 0.000 0.646 254 V HN 1.004 nan 8.190 nan 0.000 0.447 255 N N -0.008 118.685 118.700 -0.012 0.000 2.069 255 N HA -0.243 4.493 4.740 -0.007 0.000 0.191 255 N C 1.576 177.111 175.510 0.041 0.000 1.031 255 N CA 1.845 54.893 53.050 -0.004 0.000 0.852 255 N CB -0.147 38.314 38.487 -0.043 0.000 1.018 255 N HN 0.452 nan 8.380 nan 0.000 0.423 256 D N 0.785 121.228 120.400 0.072 0.000 2.158 256 D HA -0.136 4.500 4.640 -0.007 0.000 0.197 256 D C 1.965 178.425 176.300 0.266 0.000 0.995 256 D CA 0.842 54.944 54.000 0.170 0.000 0.846 256 D CB -0.139 40.789 40.800 0.215 0.000 0.941 256 D HN 0.474 nan 8.370 nan 0.000 0.456 257 I N 0.208 120.892 120.570 0.189 0.000 2.480 257 I HA -0.161 4.004 4.170 -0.007 0.000 0.251 257 I C 2.397 178.538 176.117 0.039 0.000 1.124 257 I CA 0.453 61.805 61.300 0.088 0.000 1.444 257 I CB -0.188 37.823 38.000 0.017 0.000 1.098 257 I HN -0.068 nan 8.210 nan 0.000 0.428 258 Q N 1.063 120.886 119.800 0.039 0.000 2.112 258 Q HA -0.243 4.093 4.340 -0.007 0.000 0.206 258 Q C 2.203 178.220 176.000 0.029 0.000 0.987 258 Q CA 1.643 57.461 55.803 0.025 0.000 0.858 258 Q CB -0.035 28.717 28.738 0.023 0.000 0.905 258 Q HN 0.414 nan 8.270 nan 0.000 0.420 259 K N 0.199 120.625 120.400 0.044 0.000 2.057 259 K HA -0.175 4.140 4.320 -0.007 0.000 0.207 259 K C 2.109 178.741 176.600 0.053 0.000 1.049 259 K CA 0.932 57.242 56.287 0.040 0.000 0.931 259 K CB -0.249 32.278 32.500 0.045 0.000 0.714 259 K HN 0.112 nan 8.250 nan 0.000 0.440 260 L N 1.242 122.514 121.223 0.081 0.000 2.012 260 L HA -0.181 4.155 4.340 -0.007 0.000 0.210 260 L C 2.101 178.987 176.870 0.028 0.000 1.073 260 L CA 1.502 56.382 54.840 0.066 0.000 0.748 260 L CB -0.459 41.621 42.059 0.036 0.000 0.891 260 L HN -0.106 nan 8.230 nan 0.000 0.431 261 V N 0.198 120.117 119.914 0.008 0.000 2.287 261 V HA -0.263 3.853 4.120 -0.007 0.000 0.248 261 V C 2.650 178.764 176.094 0.033 0.000 1.053 261 V CA 1.853 64.156 62.300 0.006 0.000 1.027 261 V CB -1.853 29.966 31.823 -0.006 0.000 0.646 261 V HN 0.644 nan 8.190 nan 0.000 0.447 262 G N -0.325 108.496 108.800 0.035 0.000 2.553 262 G HA2 -0.381 3.575 3.960 -0.007 0.000 0.218 262 G HA3 -0.381 3.575 3.960 -0.007 0.000 0.218 262 G C 1.596 176.556 174.900 0.101 0.000 1.195 262 G CA 1.236 46.366 45.100 0.049 0.000 0.779 262 G HN 0.506 nan 8.290 nan 0.000 0.577 263 K N -0.138 120.317 120.400 0.092 0.000 2.515 263 K HA 0.156 4.472 4.320 -0.007 0.000 0.196 263 K C 2.204 178.930 176.600 0.210 0.000 1.038 263 K CA 0.379 56.759 56.287 0.156 0.000 0.967 263 K CB -0.129 32.432 32.500 0.101 0.000 0.780 263 K HN 0.384 nan 8.250 nan 0.000 0.483 264 L N -0.115 121.184 121.223 0.127 0.000 2.316 264 L HA -0.023 4.313 4.340 -0.007 0.000 0.207 264 L C 1.768 178.689 176.870 0.084 0.000 1.070 264 L CA 0.084 54.975 54.840 0.085 0.000 0.820 264 L CB -0.263 41.813 42.059 0.028 0.000 0.992 264 L HN 0.126 nan 8.230 nan 0.000 0.466 265 N N -0.012 118.744 118.700 0.094 0.000 2.058 265 N HA -0.203 4.533 4.740 -0.007 0.000 0.191 265 N C 0.408 175.986 175.510 0.113 0.000 1.037 265 N CA 0.845 53.944 53.050 0.082 0.000 0.848 265 N CB -0.387 38.144 38.487 0.073 0.000 1.021 265 N HN 0.238 nan 8.380 nan 0.000 0.422 266 W N 1.060 122.368 121.300 0.013 0.000 2.565 266 W HA 0.334 4.990 4.660 -0.007 0.000 0.325 266 W C 0.743 177.294 176.519 0.054 0.000 1.408 266 W CA 0.854 58.211 57.345 0.020 0.000 1.350 266 W CB 0.076 29.531 29.460 -0.008 0.000 1.426 266 W HN 0.389 nan 8.180 nan 0.000 0.538 267 A N 2.268 124.799 122.820 -0.483 0.000 3.163 267 A HA -0.248 4.068 4.320 -0.007 0.000 0.197 267 A C 1.741 179.280 177.584 -0.075 0.000 0.841 267 A CA 0.436 52.304 52.037 -0.281 0.000 1.998 267 A CB -1.760 17.244 19.000 0.006 0.000 0.770 267 A HN 0.969 nan 8.150 nan 0.000 0.563 268 S N 0.707 116.380 115.700 -0.045 0.000 2.442 268 S HA -0.182 4.284 4.470 -0.007 0.000 0.236 268 S C 1.678 176.259 174.600 -0.032 0.000 1.007 268 S CA 1.463 59.663 58.200 -0.001 0.000 0.965 268 S CB -0.402 62.804 63.200 0.010 0.000 0.773 268 S HN 0.649 nan 8.310 nan 0.000 0.504 269 Q N 0.699 120.429 119.800 -0.116 0.000 2.119 269 Q HA 0.091 4.427 4.340 -0.007 0.000 0.201 269 Q C 1.964 177.904 176.000 -0.099 0.000 0.972 269 Q CA 1.059 56.795 55.803 -0.111 0.000 0.847 269 Q CB -0.442 28.193 28.738 -0.170 0.000 0.903 269 Q HN 0.602 nan 8.270 nan 0.000 0.433 270 I N -1.534 118.908 120.570 -0.214 0.000 2.927 270 I HA -0.057 4.109 4.170 -0.007 0.000 0.268 270 I C 0.220 176.172 176.117 -0.275 0.000 1.153 270 I CA 0.451 61.583 61.300 -0.281 0.000 1.459 270 I CB 0.255 37.941 38.000 -0.523 0.000 1.149 270 I HN -0.043 nan 8.210 nan 0.000 0.443 271 Y N 1.486 121.727 120.300 -0.098 0.000 2.409 271 Y HA 0.481 5.026 4.550 -0.007 0.000 0.339 271 Y C -2.270 173.606 175.900 -0.041 0.000 1.033 271 Y CA -2.909 55.156 58.100 -0.059 0.000 1.094 271 Y CB 0.754 39.178 38.460 -0.060 0.000 1.210 271 Y HN -0.142 nan 8.280 nan 0.000 0.456 272 P HA 0.342 nan 4.420 nan 0.000 0.292 272 P C 0.478 177.827 177.300 0.083 0.000 1.287 272 P CA -0.101 63.045 63.100 0.077 0.000 0.800 272 P CB 1.541 33.253 31.700 0.020 0.000 0.945 273 G N 2.300 111.143 108.800 0.073 0.000 2.211 273 G HA2 -0.193 3.763 3.960 -0.007 0.000 0.201 273 G HA3 -0.193 3.763 3.960 -0.007 0.000 0.201 273 G C -0.075 174.844 174.900 0.032 0.000 0.997 273 G CA -0.566 44.566 45.100 0.053 0.000 0.652 273 G HN 0.454 nan 8.290 nan 0.000 0.500 274 I N 2.267 122.856 120.570 0.031 0.000 2.662 274 I HA 0.321 4.487 4.170 -0.007 0.000 0.285 274 I C 0.373 176.493 176.117 0.005 0.000 1.161 274 I CA 0.137 61.440 61.300 0.006 0.000 1.415 274 I CB 0.732 38.734 38.000 0.003 0.000 1.385 274 I HN -0.047 nan 8.210 nan 0.000 0.552 275 K N 5.294 125.688 120.400 -0.009 0.000 2.259 275 K HA 0.570 4.886 4.320 -0.007 0.000 0.249 275 K C -0.051 176.535 176.600 -0.024 0.000 0.942 275 K CA -0.584 55.696 56.287 -0.011 0.000 0.816 275 K CB 2.498 34.991 32.500 -0.012 0.000 1.155 275 K HN 0.265 nan 8.250 nan 0.000 0.428 276 V N 1.828 121.728 119.914 -0.023 0.000 3.432 276 V HA 0.075 4.191 4.120 -0.007 0.000 0.290 276 V C 1.805 177.878 176.094 -0.034 0.000 1.591 276 V CA 0.069 62.350 62.300 -0.032 0.000 1.069 276 V CB 0.315 32.126 31.823 -0.020 0.000 0.892 276 V HN 0.676 nan 8.190 nan 0.000 0.436 277 R N 0.244 120.727 120.500 -0.028 0.000 2.070 277 R HA -0.172 4.164 4.340 -0.007 0.000 0.233 277 R C 2.242 178.521 176.300 -0.035 0.000 1.137 277 R CA 1.933 58.017 56.100 -0.026 0.000 0.945 277 R CB 0.088 30.377 30.300 -0.019 0.000 0.845 277 R HN 0.428 nan 8.270 nan 0.000 0.430 278 Q N 0.151 119.925 119.800 -0.043 0.000 2.084 278 Q HA -0.148 4.188 4.340 -0.007 0.000 0.202 278 Q C 2.109 178.067 176.000 -0.070 0.000 0.978 278 Q CA 0.995 56.766 55.803 -0.054 0.000 0.844 278 Q CB -0.254 28.448 28.738 -0.061 0.000 0.898 278 Q HN 0.278 nan 8.270 nan 0.000 0.426 279 L N 0.036 121.208 121.223 -0.086 0.000 2.046 279 L HA -0.148 4.187 4.340 -0.007 0.000 0.208 279 L C 2.489 179.315 176.870 -0.074 0.000 1.077 279 L CA 1.149 55.925 54.840 -0.107 0.000 0.747 279 L CB -1.514 40.468 42.059 -0.128 0.000 0.896 279 L HN 0.263 nan 8.230 nan 0.000 0.432 280 C N -0.751 118.519 119.300 -0.051 0.000 2.435 280 C HA -0.147 4.309 4.460 -0.007 0.000 0.279 280 C C 2.833 177.806 174.990 -0.029 0.000 1.321 280 C CA 0.363 59.360 59.018 -0.034 0.000 1.752 280 C CB -0.515 27.210 27.740 -0.025 0.000 1.959 280 C HN 0.480 nan 8.230 nan 0.000 0.500 281 K N 0.712 121.092 120.400 -0.033 0.000 2.020 281 K HA -0.171 4.145 4.320 -0.007 0.000 0.212 281 K C 1.709 178.293 176.600 -0.027 0.000 1.050 281 K CA 1.523 57.794 56.287 -0.027 0.000 0.929 281 K CB -0.342 32.140 32.500 -0.031 0.000 0.714 281 K HN 0.430 nan 8.250 nan 0.000 0.443 282 L N 0.898 122.098 121.223 -0.039 0.000 2.351 282 L HA -0.221 4.115 4.340 -0.007 0.000 0.220 282 L C 1.934 178.791 176.870 -0.021 0.000 1.127 282 L CA 0.673 55.492 54.840 -0.037 0.000 0.786 282 L CB -0.290 41.733 42.059 -0.060 0.000 0.914 282 L HN 0.259 nan 8.230 nan 0.000 0.443 283 L N -1.205 120.008 121.223 -0.017 0.000 2.117 283 L HA 0.038 4.374 4.340 -0.007 0.000 0.200 283 L C 1.252 178.125 176.870 0.005 0.000 1.110 283 L CA 0.204 55.041 54.840 -0.005 0.000 0.774 283 L CB -0.236 41.821 42.059 -0.004 0.000 0.934 283 L HN 0.011 nan 8.230 nan 0.000 0.456 284 R N 0.294 120.798 120.500 0.006 0.000 2.585 284 R HA 0.207 4.543 4.340 -0.007 0.000 0.275 284 R C 0.695 177.003 176.300 0.014 0.000 1.018 284 R CA 0.953 57.062 56.100 0.014 0.000 1.072 284 R CB 0.120 30.427 30.300 0.012 0.000 0.953 284 R HN 0.577 nan 8.270 nan 0.000 0.419 285 G N 0.893 109.706 108.800 0.022 0.000 2.316 285 G HA2 -0.266 3.690 3.960 -0.007 0.000 0.203 285 G HA3 -0.266 3.690 3.960 -0.007 0.000 0.203 285 G C 0.315 175.232 174.900 0.028 0.000 0.999 285 G CA 0.076 45.190 45.100 0.023 0.000 0.649 285 G HN 0.730 nan 8.290 nan 0.000 0.489 286 T N -2.190 112.382 114.554 0.030 0.000 2.780 286 T HA 0.846 5.192 4.350 -0.007 0.000 0.263 286 T C -0.040 174.692 174.700 0.053 0.000 0.993 286 T CA 0.618 62.738 62.100 0.033 0.000 1.010 286 T CB 2.689 71.567 68.868 0.017 0.000 1.642 286 T HN 0.779 nan 8.240 nan 0.000 0.587 287 K N -1.336 119.097 120.400 0.055 0.000 2.303 287 K HA 0.609 4.924 4.320 -0.007 0.000 0.258 287 K C -1.543 175.091 176.600 0.058 0.000 0.846 287 K CA 0.070 56.413 56.287 0.093 0.000 0.686 287 K CB 0.353 32.943 32.500 0.149 0.000 1.425 287 K HN 1.681 nan 8.250 nan 0.000 0.345 288 A N 1.321 124.204 122.820 0.105 0.000 1.759 288 A HA -0.165 4.151 4.320 -0.007 0.000 0.234 288 A C 0.774 178.270 177.584 -0.148 0.000 1.288 288 A CA 0.963 52.994 52.037 -0.011 0.000 0.717 288 A CB -1.881 17.047 19.000 -0.119 0.000 1.193 288 A HN 0.635 nan 8.150 nan 0.000 0.250 289 L N 1.307 122.392 121.223 -0.230 0.000 2.103 289 L HA -0.279 4.056 4.340 -0.007 0.000 0.215 289 L C 2.773 179.474 176.870 -0.281 0.000 1.080 289 L CA 2.524 57.212 54.840 -0.253 0.000 0.764 289 L CB -0.514 41.358 42.059 -0.313 0.000 0.890 289 L HN 1.115 nan 8.230 nan 0.000 0.435 290 T N -3.519 110.782 114.554 -0.421 0.000 3.086 290 T HA 0.019 4.365 4.350 -0.007 0.000 0.250 290 T C 0.664 175.253 174.700 -0.185 0.000 1.074 290 T CA -0.456 61.465 62.100 -0.299 0.000 0.988 290 T CB -0.286 68.378 68.868 -0.340 0.000 0.988 290 T HN 0.480 nan 8.240 nan 0.000 0.530 291 E N 1.737 121.837 120.200 -0.167 0.000 2.384 291 E HA 0.289 4.635 4.350 -0.007 0.000 0.266 291 E C -0.782 175.780 176.600 -0.062 0.000 1.012 291 E CA -0.749 55.584 56.400 -0.112 0.000 0.901 291 E CB 0.895 30.533 29.700 -0.104 0.000 0.967 291 E HN 0.042 nan 8.360 nan 0.000 0.435 292 V N 5.525 125.413 119.914 -0.042 0.000 2.470 292 V HA 0.092 4.208 4.120 -0.007 0.000 0.276 292 V C 0.360 176.464 176.094 0.016 0.000 1.040 292 V CA 0.010 62.308 62.300 -0.002 0.000 1.008 292 V CB 0.030 31.851 31.823 -0.003 0.000 0.990 292 V HN 0.604 nan 8.190 nan 0.000 0.477 293 I N 8.094 128.693 120.570 0.047 0.000 2.328 293 I HA 0.351 4.517 4.170 -0.007 0.000 0.287 293 I C -2.306 173.847 176.117 0.060 0.000 1.012 293 I CA -1.931 59.391 61.300 0.037 0.000 1.195 293 I CB 1.746 39.759 38.000 0.022 0.000 1.350 293 I HN 0.434 nan 8.210 nan 0.000 0.464 294 P HA 0.235 nan 4.420 nan 0.000 0.275 294 P C -0.572 176.736 177.300 0.013 0.000 1.228 294 P CA -0.387 62.745 63.100 0.053 0.000 0.786 294 P CB 0.659 32.380 31.700 0.034 0.000 0.927 295 L N 2.291 123.515 121.223 0.000 0.000 2.360 295 L HA 0.172 4.508 4.340 -0.007 0.000 0.276 295 L C 1.498 178.340 176.870 -0.047 0.000 1.121 295 L CA -0.381 54.416 54.840 -0.071 0.000 0.845 295 L CB -0.042 41.934 42.059 -0.138 0.000 1.143 295 L HN 0.495 nan 8.230 nan 0.000 0.452 296 T N -1.080 113.442 114.554 -0.054 0.000 2.663 296 T HA -0.034 4.312 4.350 -0.007 0.000 0.325 296 T C 1.268 175.943 174.700 -0.041 0.000 1.059 296 T CA -0.205 61.872 62.100 -0.040 0.000 1.039 296 T CB 0.774 69.618 68.868 -0.041 0.000 0.996 296 T HN 0.738 nan 8.240 nan 0.000 0.539 297 E N 0.782 120.964 120.200 -0.029 0.000 2.047 297 E HA -0.199 4.147 4.350 -0.007 0.000 0.191 297 E C 1.686 178.265 176.600 -0.034 0.000 0.987 297 E CA 1.334 57.719 56.400 -0.026 0.000 0.799 297 E CB -0.682 29.008 29.700 -0.018 0.000 0.752 297 E HN 0.736 nan 8.360 nan 0.000 0.449 298 E N 1.362 121.541 120.200 -0.036 0.000 2.058 298 E HA -0.104 4.241 4.350 -0.007 0.000 0.194 298 E C 2.151 178.717 176.600 -0.056 0.000 0.997 298 E CA 1.587 57.963 56.400 -0.039 0.000 0.801 298 E CB -0.576 29.104 29.700 -0.034 0.000 0.746 298 E HN 0.431 nan 8.360 nan 0.000 0.450 299 A N 1.108 123.884 122.820 -0.073 0.000 1.908 299 A HA -0.247 4.068 4.320 -0.007 0.000 0.218 299 A C 2.139 179.648 177.584 -0.125 0.000 1.181 299 A CA 2.019 53.990 52.037 -0.110 0.000 0.627 299 A CB -0.541 18.378 19.000 -0.136 0.000 0.818 299 A HN 0.200 nan 8.150 nan 0.000 0.445 300 E N -0.888 119.252 120.200 -0.100 0.000 2.204 300 E HA -0.141 4.205 4.350 -0.007 0.000 0.195 300 E C 1.718 178.281 176.600 -0.062 0.000 0.990 300 E CA 1.030 57.380 56.400 -0.083 0.000 0.821 300 E CB -0.186 29.486 29.700 -0.047 0.000 0.750 300 E HN 0.502 nan 8.360 nan 0.000 0.477 301 L N 0.269 121.460 121.223 -0.053 0.000 2.162 301 L HA 0.051 4.386 4.340 -0.007 0.000 0.205 301 L C 2.050 178.893 176.870 -0.044 0.000 1.086 301 L CA 1.469 56.286 54.840 -0.039 0.000 0.778 301 L CB -0.212 41.829 42.059 -0.031 0.000 0.928 301 L HN 0.100 nan 8.230 nan 0.000 0.446 302 E N -0.497 119.669 120.200 -0.057 0.000 2.118 302 E HA -0.251 4.094 4.350 -0.007 0.000 0.195 302 E C 2.256 178.816 176.600 -0.067 0.000 0.992 302 E CA 1.328 57.692 56.400 -0.059 0.000 0.804 302 E CB -0.137 29.521 29.700 -0.071 0.000 0.741 302 E HN 0.518 nan 8.360 nan 0.000 0.458 303 L N -0.059 121.112 121.223 -0.087 0.000 2.109 303 L HA -0.110 4.226 4.340 -0.007 0.000 0.207 303 L C 2.390 179.231 176.870 -0.049 0.000 1.086 303 L CA 1.088 55.876 54.840 -0.088 0.000 0.760 303 L CB -0.316 41.665 42.059 -0.129 0.000 0.910 303 L HN 0.198 nan 8.230 nan 0.000 0.437 304 A N -0.085 122.712 122.820 -0.039 0.000 1.902 304 A HA -0.279 4.037 4.320 -0.007 0.000 0.217 304 A C 2.062 179.631 177.584 -0.025 0.000 1.181 304 A CA 1.912 53.936 52.037 -0.022 0.000 0.623 304 A CB -0.487 18.503 19.000 -0.016 0.000 0.818 304 A HN 0.498 nan 8.150 nan 0.000 0.443 305 E N 0.541 120.723 120.200 -0.030 0.000 2.150 305 E HA -0.129 4.217 4.350 -0.007 0.000 0.193 305 E C 1.659 178.236 176.600 -0.037 0.000 0.985 305 E CA 1.753 58.136 56.400 -0.027 0.000 0.814 305 E CB -0.594 29.092 29.700 -0.023 0.000 0.752 305 E HN 0.742 nan 8.360 nan 0.000 0.466 306 N N -0.434 118.238 118.700 -0.047 0.000 2.142 306 N HA -0.098 4.638 4.740 -0.007 0.000 0.186 306 N C 1.860 177.322 175.510 -0.079 0.000 1.023 306 N CA 0.981 53.993 53.050 -0.064 0.000 0.852 306 N CB -0.029 38.421 38.487 -0.062 0.000 0.998 306 N HN 0.091 nan 8.380 nan 0.000 0.424 307 R N 0.754 121.222 120.500 -0.053 0.000 2.081 307 R HA -0.139 4.197 4.340 -0.007 0.000 0.235 307 R C 1.984 178.251 176.300 -0.054 0.000 1.131 307 R CA 1.071 57.143 56.100 -0.047 0.000 0.960 307 R CB -0.243 30.047 30.300 -0.016 0.000 0.856 307 R HN 0.186 nan 8.270 nan 0.000 0.436 308 E N 1.222 121.399 120.200 -0.040 0.000 2.058 308 E HA -0.152 4.193 4.350 -0.007 0.000 0.194 308 E C 1.810 178.387 176.600 -0.039 0.000 0.997 308 E CA 1.308 57.691 56.400 -0.028 0.000 0.801 308 E CB -0.208 29.482 29.700 -0.017 0.000 0.746 308 E HN 0.256 nan 8.360 nan 0.000 0.450 309 I N 0.045 120.579 120.570 -0.060 0.000 2.099 309 I HA -0.288 3.878 4.170 -0.007 0.000 0.239 309 I C 1.856 177.856 176.117 -0.195 0.000 1.066 309 I CA 1.105 62.356 61.300 -0.081 0.000 1.324 309 I CB -0.292 37.652 38.000 -0.093 0.000 1.037 309 I HN 0.094 nan 8.210 nan 0.000 0.401 310 L N 0.749 121.782 121.223 -0.315 0.000 2.693 310 L HA -0.062 4.274 4.340 -0.007 0.000 0.242 310 L C 2.117 178.872 176.870 -0.190 0.000 1.157 310 L CA 0.335 54.882 54.840 -0.489 0.000 0.929 310 L CB -0.558 41.272 42.059 -0.382 0.000 1.103 310 L HN 0.210 nan 8.230 nan 0.000 0.430 311 K N -0.078 120.271 120.400 -0.086 0.000 2.116 311 K HA -0.019 4.297 4.320 -0.007 0.000 0.203 311 K C 0.784 177.408 176.600 0.039 0.000 1.052 311 K CA 0.739 57.020 56.287 -0.011 0.000 0.952 311 K CB 0.463 32.962 32.500 -0.002 0.000 0.729 311 K HN 0.159 nan 8.250 nan 0.000 0.446 312 E N 0.629 120.878 120.200 0.082 0.000 2.250 312 E HA 0.261 4.607 4.350 -0.007 0.000 0.265 312 E C -2.446 174.265 176.600 0.184 0.000 1.033 312 E CA -2.420 54.052 56.400 0.121 0.000 0.888 312 E CB 1.292 31.061 29.700 0.115 0.000 1.151 312 E HN 0.044 nan 8.360 nan 0.000 0.412 313 P HA 0.216 nan 4.420 nan 0.000 0.276 313 P C -0.692 176.563 177.300 -0.074 0.000 1.261 313 P CA -0.455 62.662 63.100 0.029 0.000 0.800 313 P CB 0.652 32.309 31.700 -0.073 0.000 1.066 314 V N 0.473 120.245 119.914 -0.236 0.000 2.735 314 V HA 0.426 4.542 4.120 -0.007 0.000 0.310 314 V C -0.607 175.176 176.094 -0.519 0.000 1.061 314 V CA -0.458 61.660 62.300 -0.304 0.000 0.913 314 V CB 1.524 33.172 31.823 -0.292 0.000 1.005 314 V HN 0.595 nan 8.190 nan 0.000 0.428 315 H N 1.071 119.935 119.070 -0.343 0.000 2.768 315 H HA 0.864 5.416 4.556 -0.007 0.000 0.371 315 H C 0.234 174.922 175.328 -1.065 0.000 1.151 315 H CA -0.014 55.644 56.048 -0.650 0.000 1.165 315 H CB 2.325 31.863 29.762 -0.373 0.000 1.722 315 H HN 1.036 nan 8.280 nan 0.000 0.543 316 G N 0.331 108.163 108.800 -1.613 0.000 2.600 316 G HA2 0.472 4.427 3.960 -0.007 0.000 0.293 316 G HA3 0.472 4.427 3.960 -0.007 0.000 0.293 316 G C -1.758 172.428 174.900 -1.189 0.000 1.408 316 G CA -0.433 43.889 45.100 -1.297 0.000 0.782 316 G HN 0.529 nan 8.290 nan 0.000 0.482 317 V N -0.672 118.997 119.914 -0.408 0.000 3.166 317 V HA 0.718 4.834 4.120 -0.007 0.000 0.317 317 V C -0.789 175.373 176.094 0.113 0.000 1.136 317 V CA -0.722 61.458 62.300 -0.201 0.000 1.035 317 V CB 1.897 33.691 31.823 -0.049 0.000 1.110 317 V HN 0.627 nan 8.190 nan 0.000 0.450 318 Y N 0.280 120.776 120.300 0.327 0.000 2.408 318 Y HA 0.420 4.966 4.550 -0.007 0.000 0.324 318 Y C -0.264 175.850 175.900 0.357 0.000 1.302 318 Y CA -0.518 57.824 58.100 0.403 0.000 1.384 318 Y CB 0.456 39.110 38.460 0.323 0.000 1.367 318 Y HN 0.559 nan 8.280 nan 0.000 0.525 319 Y N 1.476 122.050 120.300 0.457 0.000 2.308 319 Y HA 0.321 4.867 4.550 -0.007 0.000 0.329 319 Y C -0.780 175.226 175.900 0.177 0.000 1.111 319 Y CA -1.309 56.950 58.100 0.265 0.000 1.179 319 Y CB 0.853 39.536 38.460 0.373 0.000 1.201 319 Y HN 0.547 nan 8.280 nan 0.000 0.483 320 D N 8.033 128.102 120.400 -0.550 0.000 2.453 320 D HA 0.358 4.994 4.640 -0.007 0.000 0.238 320 D C -2.294 173.490 176.300 -0.860 0.000 1.088 320 D CA -2.722 50.973 54.000 -0.509 0.000 0.854 320 D CB 1.922 42.588 40.800 -0.223 0.000 1.076 320 D HN 0.302 nan 8.370 nan 0.000 0.533 321 P HA -0.078 nan 4.420 nan 0.000 0.228 321 P C 0.834 178.007 177.300 -0.212 0.000 1.151 321 P CA 0.736 63.567 63.100 -0.449 0.000 0.770 321 P CB 0.119 31.769 31.700 -0.083 0.000 0.786 322 S N -2.536 113.047 115.700 -0.195 0.000 2.605 322 S HA 0.150 4.616 4.470 -0.007 0.000 0.217 322 S C 0.648 175.184 174.600 -0.106 0.000 0.958 322 S CA -0.138 57.998 58.200 -0.107 0.000 0.919 322 S CB -0.436 62.719 63.200 -0.076 0.000 0.780 322 S HN 0.003 nan 8.310 nan 0.000 0.507 323 K N 1.378 121.685 120.400 -0.155 0.000 2.375 323 K HA 0.379 4.695 4.320 -0.007 0.000 0.249 323 K C -1.345 175.189 176.600 -0.111 0.000 0.942 323 K CA -0.765 55.450 56.287 -0.119 0.000 0.806 323 K CB 1.281 33.709 32.500 -0.119 0.000 1.227 323 K HN 0.083 nan 8.250 nan 0.000 0.430 324 D N 1.621 121.967 120.400 -0.091 0.000 2.378 324 D HA 0.088 4.724 4.640 -0.007 0.000 0.238 324 D C 0.060 176.264 176.300 -0.160 0.000 1.180 324 D CA 0.251 54.190 54.000 -0.102 0.000 0.895 324 D CB 0.679 41.419 40.800 -0.100 0.000 1.192 324 D HN 0.213 nan 8.370 nan 0.000 0.438 325 L N 1.828 122.929 121.223 -0.203 0.000 2.312 325 L HA 0.432 4.767 4.340 -0.007 0.000 0.281 325 L C 0.207 176.831 176.870 -0.410 0.000 1.070 325 L CA -0.446 54.187 54.840 -0.344 0.000 0.805 325 L CB 0.833 42.646 42.059 -0.410 0.000 1.174 325 L HN 0.143 nan 8.230 nan 0.000 0.434 326 I N 2.212 122.440 120.570 -0.569 0.000 2.569 326 I HA 0.715 4.881 4.170 -0.007 0.000 0.296 326 I C -0.319 175.328 176.117 -0.784 0.000 1.028 326 I CA -0.501 60.382 61.300 -0.694 0.000 1.082 326 I CB 2.150 39.643 38.000 -0.845 0.000 1.264 326 I HN 0.646 nan 8.210 nan 0.000 0.429 327 A N 4.692 127.115 122.820 -0.661 0.000 2.422 327 A HA 0.738 5.054 4.320 -0.007 0.000 0.302 327 A C -1.105 176.356 177.584 -0.205 0.000 1.041 327 A CA -0.471 51.288 52.037 -0.463 0.000 0.708 327 A CB 1.743 20.367 19.000 -0.627 0.000 1.257 327 A HN 0.742 nan 8.150 nan 0.000 0.414 328 E N 1.898 122.099 120.200 0.001 0.000 2.272 328 E HA 0.684 5.029 4.350 -0.007 0.000 0.269 328 E C -1.609 175.102 176.600 0.186 0.000 0.877 328 E CA -0.469 55.996 56.400 0.108 0.000 0.755 328 E CB 1.467 31.248 29.700 0.135 0.000 1.192 328 E HN 0.612 nan 8.360 nan 0.000 0.422 329 I N 3.036 123.722 120.570 0.194 0.000 2.569 329 I HA 0.331 4.497 4.170 -0.007 0.000 0.296 329 I C -0.806 175.450 176.117 0.233 0.000 1.028 329 I CA -0.776 60.667 61.300 0.239 0.000 1.082 329 I CB 2.025 40.154 38.000 0.214 0.000 1.264 329 I HN 0.466 nan 8.210 nan 0.000 0.429 330 Q N 4.209 124.160 119.800 0.253 0.000 2.372 330 Q HA 0.438 4.774 4.340 -0.007 0.000 0.273 330 Q C -0.872 175.215 176.000 0.144 0.000 1.078 330 Q CA -0.905 55.003 55.803 0.175 0.000 0.806 330 Q CB 2.484 31.273 28.738 0.085 0.000 1.332 330 Q HN 0.337 nan 8.270 nan 0.000 0.435 331 K N 1.064 121.427 120.400 -0.061 0.000 2.270 331 K HA 0.132 4.448 4.320 -0.007 0.000 0.276 331 K C -0.185 176.201 176.600 -0.357 0.000 1.023 331 K CA 0.035 55.985 56.287 -0.562 0.000 0.955 331 K CB 0.727 32.846 32.500 -0.634 0.000 0.975 331 K HN 0.482 nan 8.250 nan 0.000 0.471 332 Q N 1.599 121.133 119.800 -0.443 0.000 2.118 332 Q HA 0.233 4.569 4.340 -0.007 0.000 0.219 332 Q C -0.908 174.974 176.000 -0.197 0.000 0.794 332 Q CA 0.351 56.018 55.803 -0.226 0.000 1.035 332 Q CB 1.052 29.707 28.738 -0.139 0.000 1.177 332 Q HN 0.918 nan 8.270 nan 0.000 0.478 333 G N 1.986 110.638 108.800 -0.246 0.000 2.721 333 G HA2 -0.047 3.909 3.960 -0.007 0.000 0.462 333 G HA3 -0.047 3.909 3.960 -0.007 0.000 0.462 333 G C -1.117 173.696 174.900 -0.145 0.000 1.062 333 G CA -0.425 44.580 45.100 -0.159 0.000 1.233 333 G HN 0.149 nan 8.290 nan 0.000 0.545 334 Q N -1.591 118.118 119.800 -0.152 0.000 2.387 334 Q HA -0.035 4.301 4.340 -0.007 0.000 0.342 334 Q C 1.502 177.468 176.000 -0.057 0.000 1.318 334 Q CA 2.389 58.142 55.803 -0.084 0.000 0.909 334 Q CB -1.578 27.129 28.738 -0.052 0.000 1.032 334 Q HN 2.780 nan 8.270 nan 0.000 0.308 335 G N 0.876 109.662 108.800 -0.024 0.000 2.155 335 G HA2 -0.304 3.652 3.960 -0.007 0.000 0.257 335 G HA3 -0.304 3.652 3.960 -0.007 0.000 0.257 335 G C -0.110 174.863 174.900 0.121 0.000 0.983 335 G CA 0.609 45.786 45.100 0.130 0.000 0.676 335 G HN 0.416 nan 8.290 nan 0.000 0.528 336 Q N -0.943 118.770 119.800 -0.146 0.000 2.322 336 Q HA 0.632 4.967 4.340 -0.007 0.000 0.265 336 Q C -0.751 175.059 176.000 -0.316 0.000 0.985 336 Q CA -0.273 55.476 55.803 -0.089 0.000 0.849 336 Q CB 1.330 30.012 28.738 -0.094 0.000 1.274 336 Q HN 0.433 nan 8.270 nan 0.000 0.449 337 W N 0.815 122.167 121.300 0.086 0.000 2.915 337 W HA 0.516 5.172 4.660 -0.007 0.000 0.337 337 W C -0.115 176.451 176.519 0.079 0.000 1.102 337 W CA -0.597 56.803 57.345 0.090 0.000 1.224 337 W CB 1.555 31.087 29.460 0.120 0.000 1.416 337 W HN 0.403 nan 8.180 nan 0.000 0.503 338 T N -0.390 114.324 114.554 0.266 0.000 2.912 338 T HA 0.830 5.175 4.350 -0.007 0.000 0.288 338 T C -1.231 173.592 174.700 0.206 0.000 1.030 338 T CA -0.810 61.365 62.100 0.125 0.000 1.020 338 T CB 1.821 70.703 68.868 0.022 0.000 1.056 338 T HN 0.466 nan 8.240 nan 0.000 0.480 339 Y N -0.806 119.497 120.300 0.005 0.000 2.571 339 Y HA 0.793 5.339 4.550 -0.007 0.000 0.341 339 Y C -1.482 174.423 175.900 0.008 0.000 1.076 339 Y CA -1.421 56.686 58.100 0.013 0.000 1.029 339 Y CB 1.578 40.030 38.460 -0.014 0.000 1.308 339 Y HN 0.578 nan 8.280 nan 0.000 0.461 340 Q N 2.888 122.775 119.800 0.146 0.000 2.323 340 Q HA 0.639 4.975 4.340 -0.007 0.000 0.271 340 Q C -1.475 174.622 176.000 0.163 0.000 1.048 340 Q CA -0.522 55.349 55.803 0.113 0.000 0.792 340 Q CB 3.091 31.910 28.738 0.135 0.000 1.280 340 Q HN 0.759 nan 8.270 nan 0.000 0.441 341 I N 3.745 124.402 120.570 0.144 0.000 2.354 341 I HA 0.556 4.722 4.170 -0.007 0.000 0.292 341 I C -0.825 175.289 176.117 -0.005 0.000 0.989 341 I CA -0.875 60.407 61.300 -0.031 0.000 1.188 341 I CB 0.544 38.563 38.000 0.031 0.000 1.342 341 I HN 0.653 nan 8.210 nan 0.000 0.457 342 Y N 2.788 122.994 120.300 -0.157 0.000 2.705 342 Y HA 0.506 5.052 4.550 -0.007 0.000 0.332 342 Y C -0.267 175.525 175.900 -0.181 0.000 1.221 342 Y CA -0.891 57.119 58.100 -0.149 0.000 1.059 342 Y CB 1.158 39.538 38.460 -0.134 0.000 1.298 342 Y HN 0.418 nan 8.280 nan 0.000 0.459 343 Q N -0.226 119.646 119.800 0.120 0.000 2.342 343 Q HA 0.264 4.600 4.340 -0.007 0.000 0.261 343 Q C -0.786 175.277 176.000 0.105 0.000 0.841 343 Q CA 0.139 55.947 55.803 0.009 0.000 0.969 343 Q CB 1.641 30.344 28.738 -0.059 0.000 1.136 343 Q HN 0.733 nan 8.270 nan 0.000 0.528 344 E N 1.537 121.826 120.200 0.148 0.000 2.256 344 E HA 0.266 4.612 4.350 -0.007 0.000 0.268 344 E C -2.665 173.884 176.600 -0.084 0.000 0.877 344 E CA -2.655 53.777 56.400 0.053 0.000 0.757 344 E CB 2.088 31.800 29.700 0.019 0.000 1.183 344 E HN -0.156 nan 8.360 nan 0.000 0.418 345 P HA -0.074 nan 4.420 nan 0.000 0.260 345 P C -0.424 176.603 177.300 -0.456 0.000 1.172 345 P CA 0.725 63.411 63.100 -0.690 0.000 0.760 345 P CB 0.062 31.482 31.700 -0.466 0.000 0.773 346 F N 0.015 119.677 119.950 -0.480 0.000 2.517 346 F HA -0.220 4.303 4.527 -0.007 0.000 0.434 346 F C 0.757 176.436 175.800 -0.201 0.000 0.564 346 F CA 0.947 58.771 58.000 -0.293 0.000 1.414 346 F CB -1.743 37.132 39.000 -0.208 0.000 2.009 346 F HN 0.329 nan 8.300 nan 0.000 0.274 347 K N 2.013 122.380 120.400 -0.055 0.000 2.291 347 K HA 0.315 4.631 4.320 -0.007 0.000 0.242 347 K C -0.237 176.361 176.600 -0.002 0.000 1.098 347 K CA -0.432 55.838 56.287 -0.028 0.000 1.036 347 K CB 0.335 32.829 32.500 -0.010 0.000 1.655 347 K HN 0.031 nan 8.250 nan 0.000 0.432 348 N N 2.347 121.040 118.700 -0.011 0.000 2.520 348 N HA 0.102 4.837 4.740 -0.007 0.000 0.273 348 N C 1.113 176.676 175.510 0.088 0.000 1.155 348 N CA -0.083 53.001 53.050 0.056 0.000 0.967 348 N CB 1.270 39.775 38.487 0.030 0.000 1.092 348 N HN 0.350 nan 8.380 nan 0.000 0.457 349 L N 1.190 122.525 121.223 0.186 0.000 2.130 349 L HA 0.137 4.473 4.340 -0.007 0.000 0.200 349 L C 0.871 178.031 176.870 0.483 0.000 1.075 349 L CA 0.872 55.927 54.840 0.358 0.000 0.768 349 L CB 0.089 42.331 42.059 0.306 0.000 0.933 349 L HN 0.472 nan 8.230 nan 0.000 0.451 350 K N -0.248 120.357 120.400 0.342 0.000 2.543 350 K HA 0.316 4.632 4.320 -0.007 0.000 0.255 350 K C -1.228 175.433 176.600 0.102 0.000 0.934 350 K CA -0.451 56.002 56.287 0.276 0.000 0.810 350 K CB 1.897 34.541 32.500 0.240 0.000 1.315 350 K HN -0.001 nan 8.250 nan 0.000 0.433 351 T N -0.070 114.453 114.554 -0.051 0.000 2.893 351 T HA 0.872 5.218 4.350 -0.007 0.000 0.291 351 T C -0.017 174.343 174.700 -0.566 0.000 1.028 351 T CA -0.562 61.344 62.100 -0.324 0.000 0.995 351 T CB 1.850 70.598 68.868 -0.201 0.000 1.051 351 T HN 0.671 nan 8.240 nan 0.000 0.470 352 G N 1.062 109.123 108.800 -1.233 0.000 2.749 352 G HA2 0.752 4.708 3.960 -0.007 0.000 0.300 352 G HA3 0.752 4.708 3.960 -0.007 0.000 0.300 352 G C -1.870 172.627 174.900 -0.671 0.000 1.352 352 G CA -1.306 43.236 45.100 -0.929 0.000 0.789 352 G HN 1.021 nan 8.290 nan 0.000 0.509 353 K N -0.948 119.299 120.400 -0.255 0.000 2.513 353 K HA 0.620 4.936 4.320 -0.007 0.000 0.251 353 K C -2.068 174.566 176.600 0.058 0.000 0.939 353 K CA -0.892 55.366 56.287 -0.047 0.000 0.793 353 K CB 2.003 34.507 32.500 0.008 0.000 1.241 353 K HN 0.328 nan 8.250 nan 0.000 0.431 354 Y N 1.454 121.942 120.300 0.312 0.000 2.341 354 Y HA 0.556 5.101 4.550 -0.007 0.000 0.340 354 Y C -0.183 175.864 175.900 0.244 0.000 0.997 354 Y CA -1.075 57.160 58.100 0.227 0.000 1.149 354 Y CB 1.966 40.512 38.460 0.143 0.000 1.171 354 Y HN 0.819 nan 8.280 nan 0.000 0.494 355 A N 6.617 129.644 122.820 0.344 0.000 2.363 355 A HA 0.847 5.163 4.320 -0.007 0.000 0.296 355 A C -0.168 177.521 177.584 0.174 0.000 1.237 355 A CA -0.682 51.498 52.037 0.238 0.000 0.773 355 A CB 0.799 19.892 19.000 0.155 0.000 1.153 355 A HN 0.884 nan 8.150 nan 0.000 0.473 356 R N 1.370 121.968 120.500 0.163 0.000 2.907 356 R HA 0.823 5.159 4.340 -0.007 0.000 0.266 356 R C -1.575 174.778 176.300 0.089 0.000 1.031 356 R CA -0.808 55.346 56.100 0.090 0.000 0.904 356 R CB 0.894 31.216 30.300 0.036 0.000 1.358 356 R HN 0.799 nan 8.270 nan 0.000 0.438 357 M N 0.388 120.017 119.600 0.049 0.000 2.470 357 M HA 0.416 4.892 4.480 -0.007 0.000 0.285 357 M C 0.223 176.534 176.300 0.019 0.000 1.213 357 M CA -0.679 54.649 55.300 0.047 0.000 0.901 357 M CB 2.525 35.151 32.600 0.043 0.000 1.718 357 M HN 0.776 nan 8.290 nan 0.000 0.469 358 R N 1.860 122.372 120.500 0.021 0.000 2.277 358 R HA 0.143 4.479 4.340 -0.007 0.000 0.199 358 R C 0.700 177.009 176.300 0.015 0.000 1.020 358 R CA 2.383 58.492 56.100 0.015 0.000 0.911 358 R CB -0.661 29.661 30.300 0.037 0.000 0.725 358 R HN 0.949 nan 8.270 nan 0.000 0.483 359 G N -1.954 106.859 108.800 0.021 0.000 3.345 359 G HA2 0.373 4.329 3.960 -0.007 0.000 0.202 359 G HA3 0.373 4.329 3.960 -0.007 0.000 0.202 359 G C 0.461 175.321 174.900 -0.066 0.000 1.740 359 G CA 0.356 45.452 45.100 -0.007 0.000 0.806 359 G HN 0.525 nan 8.290 nan 0.000 0.718 360 A N -1.092 121.618 122.820 -0.184 0.000 2.063 360 A HA 0.423 4.739 4.320 -0.007 0.000 0.211 360 A C 0.587 177.885 177.584 -0.476 0.000 1.177 360 A CA 0.528 52.328 52.037 -0.394 0.000 0.759 360 A CB -0.156 18.474 19.000 -0.616 0.000 0.857 360 A HN 0.589 nan 8.150 nan 0.000 0.468 361 H N -1.607 117.518 119.070 0.091 0.000 2.667 361 H HA 0.645 5.197 4.556 -0.007 0.000 0.353 361 H C -0.479 174.912 175.328 0.104 0.000 1.072 361 H CA -0.064 56.041 56.048 0.095 0.000 1.214 361 H CB 1.890 31.715 29.762 0.106 0.000 1.600 361 H HN 0.116 nan 8.280 nan 0.000 0.527 362 T N 1.721 116.390 114.554 0.192 0.000 2.787 362 T HA 0.452 4.798 4.350 -0.007 0.000 0.297 362 T C -1.514 173.250 174.700 0.107 0.000 1.221 362 T CA -0.923 61.255 62.100 0.130 0.000 1.006 362 T CB 1.291 70.213 68.868 0.091 0.000 1.328 362 T HN 0.886 nan 8.240 nan 0.000 0.509 363 N N 0.182 118.903 118.700 0.036 0.000 2.525 363 N HA 0.391 5.127 4.740 -0.007 0.000 0.270 363 N C -0.009 175.497 175.510 -0.006 0.000 1.321 363 N CA -0.687 52.372 53.050 0.015 0.000 0.797 363 N CB 0.604 39.053 38.487 -0.064 0.000 1.529 363 N HN 0.394 nan 8.380 nan 0.000 0.491 364 D N -0.201 120.256 120.400 0.095 0.000 2.228 364 D HA -0.140 4.496 4.640 -0.007 0.000 0.203 364 D C 1.411 177.720 176.300 0.013 0.000 0.988 364 D CA 1.067 55.205 54.000 0.230 0.000 0.864 364 D CB 0.193 41.171 40.800 0.297 0.000 0.928 364 D HN 0.369 nan 8.370 nan 0.000 0.469 365 V N 0.231 119.985 119.914 -0.268 0.000 2.788 365 V HA -0.122 3.994 4.120 -0.007 0.000 0.251 365 V C 1.963 177.762 176.094 -0.492 0.000 1.068 365 V CA 1.273 63.291 62.300 -0.471 0.000 1.090 365 V CB -0.015 31.305 31.823 -0.837 0.000 0.710 365 V HN 0.018 nan 8.190 nan 0.000 0.467 366 K N -0.442 119.686 120.400 -0.453 0.000 2.001 366 K HA -0.147 4.168 4.320 -0.007 0.000 0.208 366 K C 2.279 178.737 176.600 -0.236 0.000 1.048 366 K CA 1.907 58.040 56.287 -0.257 0.000 0.932 366 K CB -0.264 32.153 32.500 -0.139 0.000 0.715 366 K HN 0.514 nan 8.250 nan 0.000 0.437 367 Q N 0.635 120.308 119.800 -0.211 0.000 2.077 367 Q HA -0.216 4.119 4.340 -0.007 0.000 0.206 367 Q C 2.246 177.828 176.000 -0.697 0.000 0.989 367 Q CA 1.439 57.066 55.803 -0.293 0.000 0.853 367 Q CB -0.242 28.496 28.738 0.001 0.000 0.907 367 Q HN 0.201 nan 8.270 nan 0.000 0.418 368 L N 0.539 121.250 121.223 -0.854 0.000 2.012 368 L HA -0.183 4.153 4.340 -0.007 0.000 0.210 368 L C 2.149 178.603 176.870 -0.692 0.000 1.073 368 L CA 2.045 56.267 54.840 -1.030 0.000 0.748 368 L CB -0.866 40.732 42.059 -0.768 0.000 0.891 368 L HN 0.118 nan 8.230 nan 0.000 0.431 369 T N -0.229 114.022 114.554 -0.505 0.000 2.635 369 T HA -0.248 4.098 4.350 -0.007 0.000 0.267 369 T C 1.657 176.136 174.700 -0.369 0.000 1.040 369 T CA 2.069 63.928 62.100 -0.402 0.000 1.156 369 T CB -0.401 68.383 68.868 -0.140 0.000 0.863 369 T HN 0.517 nan 8.240 nan 0.000 0.430 370 E N 1.102 121.111 120.200 -0.318 0.000 2.153 370 E HA -0.020 4.326 4.350 -0.007 0.000 0.194 370 E C 2.475 178.868 176.600 -0.345 0.000 0.988 370 E CA 0.901 57.133 56.400 -0.280 0.000 0.811 370 E CB -0.224 29.334 29.700 -0.236 0.000 0.746 370 E HN 0.512 nan 8.360 nan 0.000 0.466 371 A N 0.822 123.394 122.820 -0.413 0.000 1.929 371 A HA -0.084 4.232 4.320 -0.007 0.000 0.216 371 A C 2.447 179.868 177.584 -0.272 0.000 1.176 371 A CA 0.744 52.598 52.037 -0.305 0.000 0.628 371 A CB -0.452 18.313 19.000 -0.393 0.000 0.816 371 A HN 0.129 nan 8.150 nan 0.000 0.444 372 V N -0.316 119.318 119.914 -0.466 0.000 2.490 372 V HA -0.281 3.834 4.120 -0.007 0.000 0.250 372 V C 2.634 178.478 176.094 -0.415 0.000 1.061 372 V CA 2.344 64.245 62.300 -0.666 0.000 1.064 372 V CB -0.591 30.600 31.823 -1.053 0.000 0.670 372 V HN 0.652 nan 8.190 nan 0.000 0.461 373 Q N -0.923 118.686 119.800 -0.320 0.000 2.123 373 Q HA -0.131 4.205 4.340 -0.007 0.000 0.199 373 Q C 2.376 178.288 176.000 -0.146 0.000 0.966 373 Q CA 1.021 56.705 55.803 -0.198 0.000 0.845 373 Q CB -0.132 28.505 28.738 -0.168 0.000 0.907 373 Q HN 0.259 nan 8.270 nan 0.000 0.439 374 K N 0.901 121.178 120.400 -0.204 0.000 2.057 374 K HA -0.066 4.250 4.320 -0.007 0.000 0.206 374 K C 1.723 178.300 176.600 -0.039 0.000 1.050 374 K CA 1.205 57.363 56.287 -0.216 0.000 0.935 374 K CB -0.292 31.829 32.500 -0.632 0.000 0.715 374 K HN 0.238 nan 8.250 nan 0.000 0.439 375 I N 0.472 121.057 120.570 0.025 0.000 2.226 375 I HA -0.260 3.905 4.170 -0.007 0.000 0.245 375 I C 2.019 178.195 176.117 0.098 0.000 1.100 375 I CA 1.333 62.647 61.300 0.023 0.000 1.374 375 I CB -0.499 37.519 38.000 0.030 0.000 1.057 375 I HN 0.100 nan 8.210 nan 0.000 0.413 376 T N 0.126 114.776 114.554 0.160 0.000 2.665 376 T HA -0.209 4.137 4.350 -0.007 0.000 0.268 376 T C 1.911 176.649 174.700 0.065 0.000 1.035 376 T CA 2.243 64.431 62.100 0.148 0.000 1.151 376 T CB -0.375 68.562 68.868 0.115 0.000 0.862 376 T HN 0.382 nan 8.240 nan 0.000 0.438 377 T N 1.552 116.118 114.554 0.019 0.000 2.812 377 T HA -0.029 4.317 4.350 -0.007 0.000 0.264 377 T C 1.940 176.623 174.700 -0.029 0.000 1.042 377 T CA 0.895 62.990 62.100 -0.008 0.000 1.140 377 T CB -0.194 68.655 68.868 -0.031 0.000 0.870 377 T HN 0.483 nan 8.240 nan 0.000 0.445 378 E N 0.959 121.140 120.200 -0.031 0.000 2.070 378 E HA -0.133 4.213 4.350 -0.007 0.000 0.197 378 E C 2.556 179.093 176.600 -0.106 0.000 1.004 378 E CA 1.369 57.723 56.400 -0.077 0.000 0.805 378 E CB -0.120 29.551 29.700 -0.047 0.000 0.744 378 E HN 0.333 nan 8.360 nan 0.000 0.451 379 S N 0.625 116.341 115.700 0.028 0.000 2.368 379 S HA -0.145 4.321 4.470 -0.007 0.000 0.225 379 S C 2.036 176.692 174.600 0.093 0.000 1.030 379 S CA 0.901 59.216 58.200 0.191 0.000 0.999 379 S CB -0.197 63.144 63.200 0.235 0.000 0.844 379 S HN 0.216 nan 8.310 nan 0.000 0.459 380 I N 0.964 121.554 120.570 0.033 0.000 2.226 380 I HA -0.145 4.020 4.170 -0.007 0.000 0.245 380 I C 2.177 178.255 176.117 -0.064 0.000 1.100 380 I CA 0.738 62.043 61.300 0.009 0.000 1.374 380 I CB -0.599 37.409 38.000 0.014 0.000 1.057 380 I HN 0.134 nan 8.210 nan 0.000 0.413 381 V N 1.525 121.371 119.914 -0.113 0.000 2.214 381 V HA -0.297 3.819 4.120 -0.007 0.000 0.245 381 V C 2.329 178.256 176.094 -0.279 0.000 1.047 381 V CA 2.229 64.429 62.300 -0.166 0.000 0.998 381 V CB -0.442 31.281 31.823 -0.167 0.000 0.633 381 V HN 0.317 nan 8.190 nan 0.000 0.446 382 I N -1.602 118.679 120.570 -0.482 0.000 2.315 382 I HA -0.222 3.944 4.170 -0.007 0.000 0.248 382 I C 1.977 177.554 176.117 -0.900 0.000 1.117 382 I CA 1.674 62.466 61.300 -0.847 0.000 1.404 382 I CB -0.284 36.836 38.000 -1.467 0.000 1.071 382 I HN 0.453 nan 8.210 nan 0.000 0.419 383 W N -0.007 121.137 121.300 -0.260 0.000 2.714 383 W HA 0.376 5.032 4.660 -0.007 0.000 0.353 383 W C 1.393 177.774 176.519 -0.229 0.000 0.999 383 W CA 0.456 57.558 57.345 -0.405 0.000 1.629 383 W CB -0.177 28.892 29.460 -0.652 0.000 1.106 383 W HN 0.273 nan 8.180 nan 0.000 0.545 384 G N 2.847 111.658 108.800 0.018 0.000 2.179 384 G HA2 -0.317 3.638 3.960 -0.007 0.000 0.257 384 G HA3 -0.317 3.638 3.960 -0.007 0.000 0.257 384 G C 0.196 175.140 174.900 0.075 0.000 1.010 384 G CA 1.265 46.386 45.100 0.036 0.000 0.736 384 G HN 0.368 nan 8.290 nan 0.000 0.513 385 K N -1.885 118.577 120.400 0.104 0.000 2.578 385 K HA 0.703 5.019 4.320 -0.007 0.000 0.287 385 K C -0.430 176.220 176.600 0.083 0.000 1.010 385 K CA -0.361 55.980 56.287 0.089 0.000 0.889 385 K CB 0.738 33.293 32.500 0.092 0.000 1.514 385 K HN 0.539 nan 8.250 nan 0.000 0.424 386 T N -0.582 114.004 114.554 0.053 0.000 2.867 386 T HA 0.547 4.893 4.350 -0.007 0.000 0.282 386 T C -2.529 172.128 174.700 -0.071 0.000 1.000 386 T CA -1.785 60.333 62.100 0.030 0.000 1.042 386 T CB 1.103 70.019 68.868 0.080 0.000 0.973 386 T HN 0.381 nan 8.240 nan 0.000 0.465 387 P HA 0.369 nan 4.420 nan 0.000 0.276 387 P C -0.627 176.402 177.300 -0.451 0.000 1.244 387 P CA -0.837 62.003 63.100 -0.433 0.000 0.801 387 P CB 0.468 31.742 31.700 -0.710 0.000 1.006 388 K N 1.873 122.055 120.400 -0.364 0.000 2.339 388 K HA 0.322 4.638 4.320 -0.007 0.000 0.286 388 K C -0.220 176.177 176.600 -0.339 0.000 1.050 388 K CA 0.002 56.153 56.287 -0.228 0.000 0.956 388 K CB -0.330 32.077 32.500 -0.155 0.000 0.990 388 K HN 0.382 nan 8.250 nan 0.000 0.475 389 F N 2.035 121.944 119.950 -0.069 0.000 2.379 389 F HA 0.262 4.784 4.527 -0.007 0.000 0.332 389 F C 1.065 176.881 175.800 0.027 0.000 1.096 389 F CA -0.226 57.739 58.000 -0.058 0.000 1.105 389 F CB 1.056 39.988 39.000 -0.113 0.000 1.189 389 F HN 0.014 nan 8.300 nan 0.000 0.515 390 K N 5.271 125.787 120.400 0.192 0.000 2.483 390 K HA 0.521 4.837 4.320 -0.007 0.000 0.256 390 K C -1.177 175.541 176.600 0.196 0.000 0.961 390 K CA -0.320 56.073 56.287 0.176 0.000 0.873 390 K CB 1.872 34.417 32.500 0.074 0.000 1.107 390 K HN 0.567 nan 8.250 nan 0.000 0.432 391 L N 3.746 125.130 121.223 0.269 0.000 2.362 391 L HA 0.430 4.765 4.340 -0.007 0.000 0.271 391 L C -2.131 174.907 176.870 0.280 0.000 1.002 391 L CA -2.247 52.688 54.840 0.158 0.000 0.818 391 L CB 2.349 44.312 42.059 -0.159 0.000 1.298 391 L HN 0.257 nan 8.230 nan 0.000 0.420 392 P HA 0.278 nan 4.420 nan 0.000 0.212 392 P C -0.688 176.836 177.300 0.373 0.000 1.816 392 P CA 0.232 63.526 63.100 0.324 0.000 0.944 392 P CB 0.022 31.851 31.700 0.216 0.000 1.896 393 I N -0.488 120.346 120.570 0.439 0.000 2.607 393 I HA 0.352 4.517 4.170 -0.007 0.000 0.290 393 I C -0.778 175.420 176.117 0.135 0.000 1.129 393 I CA -1.120 60.289 61.300 0.181 0.000 1.042 393 I CB 2.584 40.574 38.000 -0.017 0.000 1.242 393 I HN -0.222 nan 8.210 nan 0.000 0.421 394 Q N 4.933 124.588 119.800 -0.242 0.000 2.373 394 Q HA 0.191 4.527 4.340 -0.007 0.000 0.255 394 Q C 0.738 176.791 176.000 0.089 0.000 0.980 394 Q CA 0.027 55.542 55.803 -0.480 0.000 0.882 394 Q CB 1.182 29.644 28.738 -0.460 0.000 1.249 394 Q HN 0.457 nan 8.270 nan 0.000 0.438 395 K N 2.199 122.645 120.400 0.077 0.000 2.103 395 K HA -0.193 4.123 4.320 -0.007 0.000 0.207 395 K C 1.250 177.999 176.600 0.248 0.000 1.048 395 K CA 1.556 57.978 56.287 0.224 0.000 0.930 395 K CB 0.196 32.689 32.500 -0.011 0.000 0.716 395 K HN 0.566 nan 8.250 nan 0.000 0.444 396 E N -0.247 120.008 120.200 0.090 0.000 2.107 396 E HA -0.069 4.277 4.350 -0.007 0.000 0.191 396 E C 2.003 178.648 176.600 0.074 0.000 0.982 396 E CA 1.299 57.735 56.400 0.061 0.000 0.809 396 E CB -0.532 29.164 29.700 -0.006 0.000 0.756 396 E HN 0.271 nan 8.360 nan 0.000 0.459 397 T N 0.741 115.339 114.554 0.074 0.000 2.652 397 T HA -0.205 4.141 4.350 -0.007 0.000 0.267 397 T C 1.447 176.257 174.700 0.184 0.000 1.039 397 T CA 1.284 63.424 62.100 0.068 0.000 1.153 397 T CB -0.605 68.270 68.868 0.012 0.000 0.863 397 T HN 0.411 nan 8.240 nan 0.000 0.428 398 W N 2.265 123.648 121.300 0.138 0.000 2.355 398 W HA -0.140 4.516 4.660 -0.007 0.000 0.309 398 W C 2.117 178.854 176.519 0.363 0.000 1.206 398 W CA 1.289 58.791 57.345 0.262 0.000 1.284 398 W CB -0.246 29.405 29.460 0.319 0.000 1.145 398 W HN 0.249 nan 8.180 nan 0.000 0.502 399 E N -0.284 120.092 120.200 0.294 0.000 2.086 399 E HA -0.285 4.060 4.350 -0.007 0.000 0.200 399 E C 2.144 178.552 176.600 -0.320 0.000 1.012 399 E CA 2.568 58.972 56.400 0.006 0.000 0.812 399 E CB -0.654 29.103 29.700 0.095 0.000 0.743 399 E HN 0.313 nan 8.360 nan 0.000 0.453 400 T N -0.252 114.209 114.554 -0.156 0.000 2.896 400 T HA -0.126 4.220 4.350 -0.007 0.000 0.263 400 T C 1.614 176.191 174.700 -0.206 0.000 1.050 400 T CA 1.118 63.103 62.100 -0.191 0.000 1.140 400 T CB -0.398 68.415 68.868 -0.093 0.000 0.877 400 T HN 0.411 nan 8.240 nan 0.000 0.457 401 W N 1.670 122.777 121.300 -0.322 0.000 2.329 401 W HA -0.154 4.502 4.660 -0.007 0.000 0.324 401 W C 2.317 178.592 176.519 -0.407 0.000 1.222 401 W CA 1.660 58.793 57.345 -0.354 0.000 1.270 401 W CB -0.875 28.368 29.460 -0.361 0.000 1.167 401 W HN 0.589 nan 8.180 nan 0.000 0.467 402 W N 1.999 122.870 121.300 -0.716 0.000 2.465 402 W HA -0.104 4.552 4.660 -0.007 0.000 0.268 402 W C 1.583 177.841 176.519 -0.436 0.000 1.242 402 W CA 1.469 58.355 57.345 -0.764 0.000 1.248 402 W CB -1.355 27.590 29.460 -0.858 0.000 1.118 402 W HN -0.186 nan 8.180 nan 0.000 0.587 403 T N 2.137 115.970 114.554 -1.202 0.000 2.684 403 T HA -0.232 4.114 4.350 -0.007 0.000 0.267 403 T C 1.252 175.634 174.700 -0.529 0.000 1.036 403 T CA 2.419 63.876 62.100 -1.072 0.000 1.148 403 T CB -0.229 68.171 68.868 -0.779 0.000 0.863 403 T HN 0.316 nan 8.240 nan 0.000 0.436 404 E N -0.872 119.066 120.200 -0.436 0.000 2.474 404 E HA 0.084 4.430 4.350 -0.007 0.000 0.195 404 E C -0.318 176.135 176.600 -0.245 0.000 1.039 404 E CA -0.287 55.945 56.400 -0.281 0.000 0.881 404 E CB 0.225 29.793 29.700 -0.221 0.000 0.970 404 E HN 0.394 nan 8.360 nan 0.000 0.486 405 Y N 2.183 122.128 120.300 -0.591 0.000 2.377 405 Y HA -0.072 4.474 4.550 -0.007 0.000 0.330 405 Y C 0.982 176.670 175.900 -0.354 0.000 1.108 405 Y CA -1.555 56.139 58.100 -0.677 0.000 1.308 405 Y CB 0.349 38.151 38.460 -1.097 0.000 1.216 405 Y HN 0.161 nan 8.280 nan 0.000 0.518 406 W N 4.091 125.051 121.300 -0.567 0.000 2.611 406 W HA 0.004 4.660 4.660 -0.006 0.000 0.251 406 W C -0.752 175.479 176.519 -0.480 0.000 1.265 406 W CA 0.129 57.210 57.345 -0.440 0.000 1.295 406 W CB -0.125 29.120 29.460 -0.359 0.000 1.129 406 W HN 0.494 nan 8.180 nan 0.000 0.630 407 Q N 0.796 119.679 119.800 -1.528 0.000 2.235 407 Q HA 0.518 4.853 4.340 -0.007 0.000 0.256 407 Q C -0.150 175.591 176.000 -0.432 0.000 0.951 407 Q CA -0.615 54.522 55.803 -1.110 0.000 0.890 407 Q CB 2.140 29.999 28.738 -1.466 0.000 1.279 407 Q HN 0.000 nan 8.270 nan 0.000 0.444 408 A N 1.967 124.661 122.820 -0.210 0.000 2.520 408 A HA 0.360 4.675 4.320 -0.007 0.000 0.245 408 A C -0.265 177.332 177.584 0.021 0.000 1.072 408 A CA 0.271 52.277 52.037 -0.053 0.000 0.761 408 A CB -0.008 18.968 19.000 -0.041 0.000 1.004 408 A HN 0.661 nan 8.150 nan 0.000 0.499 409 T N 0.289 114.909 114.554 0.110 0.000 2.896 409 T HA 0.655 5.001 4.350 -0.007 0.000 0.297 409 T C -1.072 173.817 174.700 0.315 0.000 1.108 409 T CA -0.437 61.801 62.100 0.230 0.000 1.004 409 T CB 1.323 70.398 68.868 0.345 0.000 1.159 409 T HN 0.898 nan 8.240 nan 0.000 0.499 410 W N 0.994 122.375 121.300 0.134 0.000 3.213 410 W HA 0.735 5.391 4.660 -0.007 0.000 0.318 410 W C -2.560 173.962 176.519 0.004 0.000 1.248 410 W CA -1.261 56.130 57.345 0.076 0.000 1.187 410 W CB 1.114 30.542 29.460 -0.054 0.000 1.403 410 W HN 0.742 nan 8.180 nan 0.000 0.556 411 I N 5.610 125.661 120.570 -0.866 0.000 2.533 411 I HA 0.344 4.510 4.170 -0.007 0.000 0.290 411 I C -1.885 173.351 176.117 -1.469 0.000 1.056 411 I CA -2.178 58.440 61.300 -1.137 0.000 1.057 411 I CB 2.136 39.290 38.000 -1.409 0.000 1.240 411 I HN 0.120 nan 8.210 nan 0.000 0.423 412 P HA -0.003 nan 4.420 nan 0.000 0.274 412 P C -0.355 176.782 177.300 -0.272 0.000 1.264 412 P CA -0.412 62.189 63.100 -0.832 0.000 0.795 412 P CB 0.373 31.919 31.700 -0.257 0.000 1.064 413 E N 0.871 121.036 120.200 -0.057 0.000 3.025 413 E HA -0.094 4.251 4.350 -0.007 0.000 0.248 413 E C -0.589 176.107 176.600 0.160 0.000 0.938 413 E CA 1.109 57.535 56.400 0.043 0.000 0.958 413 E CB -0.078 29.647 29.700 0.042 0.000 0.898 413 E HN 0.397 nan 8.360 nan 0.000 0.537 414 W N 3.398 124.635 121.300 -0.105 0.000 3.062 414 W HA 0.523 5.179 4.660 -0.007 0.000 0.336 414 W C -1.055 175.444 176.519 -0.032 0.000 1.224 414 W CA -1.002 56.302 57.345 -0.068 0.000 1.159 414 W CB 0.554 29.925 29.460 -0.149 0.000 1.454 414 W HN 0.421 nan 8.180 nan 0.000 0.569 415 E N 1.499 121.753 120.200 0.091 0.000 2.343 415 E HA 0.472 4.818 4.350 -0.007 0.000 0.270 415 E C -1.899 174.839 176.600 0.230 0.000 0.895 415 E CA -0.831 55.516 56.400 -0.088 0.000 0.767 415 E CB 2.789 32.456 29.700 -0.055 0.000 1.248 415 E HN 0.218 nan 8.360 nan 0.000 0.440 416 F N 2.837 122.776 119.950 -0.019 0.000 2.495 416 F HA 0.275 4.798 4.527 -0.007 0.000 0.365 416 F C -0.742 175.130 175.800 0.121 0.000 1.090 416 F CA -0.548 57.557 58.000 0.176 0.000 1.235 416 F CB 1.279 40.339 39.000 0.100 0.000 1.119 416 F HN 0.262 nan 8.300 nan 0.000 0.562 417 V N 8.202 127.851 119.914 -0.441 0.000 2.284 417 V HA 0.250 4.366 4.120 -0.007 0.000 0.274 417 V C -0.327 175.236 176.094 -0.885 0.000 1.023 417 V CA -0.777 61.191 62.300 -0.554 0.000 0.808 417 V CB 0.460 32.190 31.823 -0.155 0.000 1.035 417 V HN 0.808 nan 8.190 nan 0.000 0.445 418 N N 5.240 123.220 118.700 -1.201 0.000 2.454 418 N HA 0.111 4.847 4.740 -0.007 0.000 0.285 418 N C 0.434 175.832 175.510 -0.188 0.000 1.233 418 N CA 0.797 53.465 53.050 -0.637 0.000 1.036 418 N CB 0.534 38.860 38.487 -0.267 0.000 1.423 418 N HN 0.804 nan 8.380 nan 0.000 0.495 419 T N 2.011 116.520 114.554 -0.076 0.000 2.995 419 T HA 0.334 4.680 4.350 -0.007 0.000 0.170 419 T C -1.357 173.360 174.700 0.029 0.000 0.844 419 T CA -0.038 62.049 62.100 -0.021 0.000 1.137 419 T CB -0.788 68.066 68.868 -0.023 0.000 2.193 419 T HN 0.262 nan 8.240 nan 0.000 0.384 420 P HA 0.330 nan 4.420 nan 0.000 0.310 420 P C -2.446 174.883 177.300 0.049 0.000 1.399 420 P CA -0.165 62.955 63.100 0.034 0.000 0.849 420 P CB -1.170 30.542 31.700 0.020 0.000 2.098 421 P HA 0.234 nan 4.420 nan 0.000 0.292 421 P C -0.132 177.213 177.300 0.076 0.000 1.326 421 P CA -0.003 63.133 63.100 0.059 0.000 0.787 421 P CB 0.524 32.250 31.700 0.044 0.000 0.903 422 L N 2.853 124.134 121.223 0.097 0.000 2.499 422 L HA 0.099 4.435 4.340 -0.007 0.000 0.281 422 L C 0.679 177.576 176.870 0.046 0.000 1.234 422 L CA -0.188 54.722 54.840 0.116 0.000 0.839 422 L CB 0.326 42.461 42.059 0.126 0.000 1.104 422 L HN 0.140 nan 8.230 nan 0.000 0.500 423 V N 3.341 123.287 119.914 0.053 0.000 2.348 423 V HA 0.246 4.362 4.120 -0.007 0.000 0.270 423 V C 0.145 176.148 176.094 -0.151 0.000 1.037 423 V CA -0.331 61.973 62.300 0.006 0.000 0.872 423 V CB 1.117 33.007 31.823 0.111 0.000 1.002 423 V HN 0.640 nan 8.190 nan 0.000 0.464 424 K N 4.174 124.358 120.400 -0.359 0.000 2.318 424 K HA 0.630 4.946 4.320 -0.007 0.000 0.249 424 K C -0.976 175.204 176.600 -0.700 0.000 0.942 424 K CA -0.802 55.138 56.287 -0.579 0.000 0.808 424 K CB 2.267 34.233 32.500 -0.888 0.000 1.189 424 K HN 0.496 nan 8.250 nan 0.000 0.428 425 L N 3.028 123.962 121.223 -0.481 0.000 2.369 425 L HA 0.096 4.432 4.340 -0.007 0.000 0.279 425 L C 0.322 176.956 176.870 -0.394 0.000 1.108 425 L CA -0.001 54.605 54.840 -0.390 0.000 0.852 425 L CB 0.319 42.247 42.059 -0.218 0.000 1.169 425 L HN 0.739 nan 8.230 nan 0.000 0.452 426 W N 3.321 124.558 121.300 -0.106 0.000 2.519 426 W HA -0.045 4.611 4.660 -0.007 0.000 0.266 426 W C 0.202 176.803 176.519 0.138 0.000 1.253 426 W CA 0.000 57.363 57.345 0.030 0.000 1.274 426 W CB 0.007 29.536 29.460 0.115 0.000 1.114 426 W HN 0.493 nan 8.180 nan 0.000 0.596 427 Y N -1.283 119.134 120.300 0.195 0.000 2.656 427 Y HA 0.449 4.995 4.550 -0.007 0.000 0.334 427 Y C -0.883 175.075 175.900 0.097 0.000 1.179 427 Y CA -2.387 55.791 58.100 0.130 0.000 1.050 427 Y CB 0.285 38.822 38.460 0.128 0.000 1.308 427 Y HN -0.032 nan 8.280 nan 0.000 0.456 428 Q N 2.349 122.293 119.800 0.240 0.000 2.375 428 Q HA 0.694 5.029 4.340 -0.007 0.000 0.271 428 Q C -1.862 174.270 176.000 0.219 0.000 1.074 428 Q CA -0.982 54.906 55.803 0.143 0.000 0.808 428 Q CB 2.728 31.510 28.738 0.074 0.000 1.327 428 Q HN 0.847 nan 8.270 nan 0.000 0.441 429 L N 2.549 123.881 121.223 0.181 0.000 2.380 429 L HA 0.249 4.585 4.340 -0.007 0.000 0.273 429 L C 0.465 177.416 176.870 0.134 0.000 1.138 429 L CA -0.592 54.341 54.840 0.154 0.000 0.832 429 L CB 0.785 42.916 42.059 0.119 0.000 1.124 429 L HN 0.677 nan 8.230 nan 0.000 0.454 430 E N 2.922 123.225 120.200 0.172 0.000 2.383 430 E HA 0.054 4.400 4.350 -0.007 0.000 0.264 430 E C 0.361 177.115 176.600 0.257 0.000 1.050 430 E CA -0.260 56.255 56.400 0.193 0.000 0.896 430 E CB 1.159 30.981 29.700 0.204 0.000 0.982 430 E HN 0.398 nan 8.360 nan 0.000 0.424 431 K N 1.045 121.542 120.400 0.161 0.000 2.137 431 K HA 0.051 4.366 4.320 -0.007 0.000 0.202 431 K C 0.383 177.087 176.600 0.174 0.000 1.052 431 K CA 0.858 57.234 56.287 0.148 0.000 0.961 431 K CB 0.367 32.904 32.500 0.062 0.000 0.741 431 K HN 0.393 nan 8.250 nan 0.000 0.452 432 E N 0.924 121.135 120.200 0.018 0.000 2.256 432 E HA 0.310 4.656 4.350 -0.007 0.000 0.267 432 E C -2.543 173.662 176.600 -0.659 0.000 0.892 432 E CA -2.594 53.672 56.400 -0.222 0.000 0.775 432 E CB 1.769 31.388 29.700 -0.136 0.000 1.207 432 E HN -0.081 nan 8.360 nan 0.000 0.420 433 P HA 0.061 nan 4.420 nan 0.000 0.266 433 P C -0.087 176.962 177.300 -0.419 0.000 1.193 433 P CA 0.382 62.838 63.100 -1.074 0.000 0.770 433 P CB 0.505 31.814 31.700 -0.651 0.000 0.836 434 I N 1.963 122.388 120.570 -0.242 0.000 2.315 434 I HA 0.146 4.312 4.170 -0.007 0.000 0.291 434 I C 0.549 176.625 176.117 -0.068 0.000 1.006 434 I CA -1.227 60.009 61.300 -0.105 0.000 1.265 434 I CB 1.146 39.125 38.000 -0.034 0.000 1.387 434 I HN 0.013 nan 8.210 nan 0.000 0.475 435 V N 6.242 126.122 119.914 -0.058 0.000 2.540 435 V HA 0.104 4.220 4.120 -0.007 0.000 0.297 435 V C 1.411 177.493 176.094 -0.019 0.000 1.024 435 V CA 1.122 63.399 62.300 -0.037 0.000 1.105 435 V CB 0.219 32.022 31.823 -0.032 0.000 0.938 435 V HN 1.191 nan 8.190 nan 0.000 0.482 436 G N 3.701 112.493 108.800 -0.013 0.000 2.155 436 G HA2 -0.146 3.810 3.960 -0.007 0.000 0.257 436 G HA3 -0.146 3.810 3.960 -0.007 0.000 0.257 436 G C 0.352 175.255 174.900 0.005 0.000 0.983 436 G CA 0.230 45.328 45.100 -0.004 0.000 0.676 436 G HN 1.533 nan 8.290 nan 0.000 0.528 437 A N -0.259 122.567 122.820 0.009 0.000 2.310 437 A HA 0.700 5.016 4.320 -0.007 0.000 0.299 437 A C 0.459 178.067 177.584 0.041 0.000 1.147 437 A CA 0.211 52.265 52.037 0.028 0.000 0.818 437 A CB 0.647 19.666 19.000 0.032 0.000 1.096 437 A HN 0.557 nan 8.150 nan 0.000 0.495 438 E N 0.610 120.850 120.200 0.067 0.000 2.404 438 E HA 0.256 4.602 4.350 -0.007 0.000 0.261 438 E C -0.742 175.917 176.600 0.099 0.000 1.074 438 E CA 0.130 56.562 56.400 0.054 0.000 0.917 438 E CB 0.520 30.250 29.700 0.050 0.000 0.965 438 E HN 0.532 nan 8.360 nan 0.000 0.433 439 T N 4.318 118.881 114.554 0.015 0.000 2.842 439 T HA 0.296 4.642 4.350 -0.007 0.000 0.308 439 T C -0.978 173.707 174.700 -0.025 0.000 1.041 439 T CA -0.435 61.680 62.100 0.025 0.000 0.964 439 T CB -0.129 68.734 68.868 -0.009 0.000 0.972 439 T HN 0.218 nan 8.240 nan 0.000 0.460 440 F N 2.931 122.796 119.950 -0.143 0.000 2.421 440 F HA 0.370 4.894 4.527 -0.006 0.000 0.358 440 F C 0.059 175.797 175.800 -0.103 0.000 1.115 440 F CA -1.233 56.699 58.000 -0.113 0.000 1.160 440 F CB 0.363 39.225 39.000 -0.231 0.000 1.123 440 F HN 0.500 nan 8.300 nan 0.000 0.508 441 Y N 3.375 123.744 120.300 0.116 0.000 2.477 441 Y HA 0.422 4.971 4.550 -0.002 0.000 0.349 441 Y C 0.311 176.300 175.900 0.148 0.000 0.977 441 Y CA -1.069 57.088 58.100 0.094 0.000 1.214 441 Y CB 0.533 39.014 38.460 0.035 0.000 1.124 441 Y HN 0.405 nan 8.280 nan 0.000 0.521 442 V N 0.084 120.141 119.914 0.239 0.000 2.837 442 V HA 0.775 4.891 4.120 -0.007 0.000 0.310 442 V C -0.594 175.585 176.094 0.141 0.000 1.059 442 V CA -0.358 62.076 62.300 0.223 0.000 1.004 442 V CB 2.041 33.974 31.823 0.183 0.000 1.045 442 V HN 0.619 nan 8.190 nan 0.000 0.465 443 D N 0.354 120.825 120.400 0.119 0.000 2.622 443 D HA 0.774 5.409 4.640 -0.007 0.000 0.255 443 D C -0.561 175.779 176.300 0.068 0.000 1.246 443 D CA 0.509 54.553 54.000 0.073 0.000 0.795 443 D CB 2.170 43.000 40.800 0.050 0.000 1.369 443 D HN 1.208 nan 8.370 nan 0.000 0.425 444 G N -0.590 108.245 108.800 0.058 0.000 2.733 444 G HA2 0.820 4.775 3.960 -0.007 0.000 0.297 444 G HA3 0.820 4.775 3.960 -0.007 0.000 0.297 444 G C -1.679 173.256 174.900 0.057 0.000 1.422 444 G CA -0.050 45.086 45.100 0.060 0.000 0.942 444 G HN 0.600 nan 8.290 nan 0.000 0.510 445 A N -0.478 122.373 122.820 0.052 0.000 2.609 445 A HA 1.094 5.409 4.320 -0.007 0.000 0.291 445 A C -0.673 176.938 177.584 0.046 0.000 1.096 445 A CA -0.110 51.959 52.037 0.053 0.000 0.684 445 A CB 1.671 20.701 19.000 0.051 0.000 1.282 445 A HN 2.559 nan 8.150 nan 0.000 0.412 446 A N 0.596 123.442 122.820 0.044 0.000 2.555 446 A HA 0.647 4.963 4.320 -0.007 0.000 0.297 446 A C -1.033 176.570 177.584 0.032 0.000 1.060 446 A CA -0.504 51.555 52.037 0.036 0.000 0.710 446 A CB 0.925 19.948 19.000 0.038 0.000 1.282 446 A HN 1.100 nan 8.150 nan 0.000 0.399 447 N N 0.994 119.709 118.700 0.025 0.000 2.420 447 N HA 0.217 4.953 4.740 -0.007 0.000 0.262 447 N C 1.256 176.778 175.510 0.019 0.000 1.144 447 N CA -0.425 52.638 53.050 0.021 0.000 0.952 447 N CB 0.663 39.160 38.487 0.017 0.000 1.081 447 N HN 0.538 nan 8.380 nan 0.000 0.480 448 R N 2.576 123.087 120.500 0.018 0.000 2.127 448 R HA -0.163 4.173 4.340 -0.007 0.000 0.238 448 R C 0.906 177.212 176.300 0.011 0.000 1.134 448 R CA 1.483 57.592 56.100 0.015 0.000 0.975 448 R CB -0.355 29.953 30.300 0.013 0.000 0.865 448 R HN 0.740 nan 8.270 nan 0.000 0.447 449 E N -0.348 119.858 120.200 0.011 0.000 2.028 449 E HA -0.119 4.226 4.350 -0.007 0.000 0.191 449 E C 1.918 178.524 176.600 0.009 0.000 0.988 449 E CA 1.829 58.234 56.400 0.009 0.000 0.799 449 E CB -0.304 29.401 29.700 0.008 0.000 0.755 449 E HN 0.441 nan 8.360 nan 0.000 0.447 450 T N -2.222 112.338 114.554 0.011 0.000 3.051 450 T HA 0.145 4.490 4.350 -0.007 0.000 0.255 450 T C 1.020 175.728 174.700 0.012 0.000 1.085 450 T CA 0.541 62.648 62.100 0.011 0.000 1.109 450 T CB 0.074 68.948 68.868 0.010 0.000 0.921 450 T HN 0.126 nan 8.240 nan 0.000 0.488 451 K N -0.418 119.990 120.400 0.014 0.000 3.609 451 K HA -0.108 4.208 4.320 -0.007 0.000 0.277 451 K C -0.289 176.323 176.600 0.019 0.000 1.196 451 K CA 0.711 57.008 56.287 0.017 0.000 1.022 451 K CB -2.007 30.502 32.500 0.015 0.000 1.292 451 K HN 0.429 nan 8.250 nan 0.000 0.484 452 L N 1.110 122.343 121.223 0.017 0.000 2.380 452 L HA 0.392 4.728 4.340 -0.007 0.000 0.273 452 L C 0.953 177.835 176.870 0.021 0.000 1.138 452 L CA 0.228 55.078 54.840 0.017 0.000 0.832 452 L CB 0.987 43.054 42.059 0.014 0.000 1.124 452 L HN 0.239 nan 8.230 nan 0.000 0.454 453 G N 2.414 111.227 108.800 0.022 0.000 2.725 453 G HA2 0.668 4.623 3.960 -0.007 0.000 0.288 453 G HA3 0.668 4.623 3.960 -0.007 0.000 0.288 453 G C -1.606 173.307 174.900 0.022 0.000 1.399 453 G CA -0.608 44.507 45.100 0.026 0.000 0.859 453 G HN 0.461 nan 8.290 nan 0.000 0.479 454 K N -0.807 119.607 120.400 0.023 0.000 2.422 454 K HA 0.723 5.039 4.320 -0.007 0.000 0.251 454 K C -0.937 175.677 176.600 0.022 0.000 0.933 454 K CA -0.592 55.704 56.287 0.016 0.000 0.798 454 K CB 2.663 35.167 32.500 0.008 0.000 1.238 454 K HN 0.753 nan 8.250 nan 0.000 0.428 455 A N 1.363 124.192 122.820 0.016 0.000 2.374 455 A HA 0.909 5.225 4.320 -0.007 0.000 0.305 455 A C -0.654 176.924 177.584 -0.009 0.000 1.053 455 A CA -0.423 51.630 52.037 0.026 0.000 0.726 455 A CB 1.675 20.704 19.000 0.048 0.000 1.229 455 A HN 0.773 nan 8.150 nan 0.000 0.431 456 G N -0.005 108.793 108.800 -0.004 0.000 2.548 456 G HA2 0.665 4.621 3.960 -0.007 0.000 0.301 456 G HA3 0.665 4.621 3.960 -0.007 0.000 0.301 456 G C -1.155 173.755 174.900 0.017 0.000 1.349 456 G CA 0.128 45.172 45.100 -0.094 0.000 0.792 456 G HN 1.645 nan 8.290 nan 0.000 0.481 457 Y N -3.090 117.272 120.300 0.104 0.000 2.876 457 Y HA 0.884 5.429 4.550 -0.008 0.000 0.317 457 Y C -0.981 174.962 175.900 0.072 0.000 1.369 457 Y CA -1.617 56.565 58.100 0.136 0.000 1.101 457 Y CB 1.851 40.478 38.460 0.279 0.000 1.346 457 Y HN 0.710 nan 8.280 nan 0.000 0.505 458 V N 0.775 120.973 119.914 0.474 0.000 2.950 458 V HA 0.525 4.641 4.120 -0.007 0.000 0.295 458 V C -0.923 175.221 176.094 0.083 0.000 1.297 458 V CA 0.034 62.462 62.300 0.215 0.000 0.962 458 V CB 2.296 34.175 31.823 0.093 0.000 1.081 458 V HN 1.187 nan 8.190 nan 0.000 0.432 459 T N 0.391 114.888 114.554 -0.095 0.000 2.901 459 T HA 0.373 4.719 4.350 -0.007 0.000 0.293 459 T C 0.932 175.574 174.700 -0.096 0.000 1.084 459 T CA -0.062 61.904 62.100 -0.225 0.000 1.008 459 T CB 1.637 70.106 68.868 -0.664 0.000 1.170 459 T HN 0.823 nan 8.240 nan 0.000 0.509 460 N N 0.831 119.507 118.700 -0.039 0.000 2.272 460 N HA -0.129 4.607 4.740 -0.007 0.000 0.185 460 N C 1.121 176.602 175.510 -0.049 0.000 1.014 460 N CA 0.697 53.739 53.050 -0.014 0.000 0.870 460 N CB -0.392 38.111 38.487 0.027 0.000 0.975 460 N HN 0.615 nan 8.380 nan 0.000 0.433 461 K N -0.249 120.100 120.400 -0.085 0.000 2.589 461 K HA 0.149 4.464 4.320 -0.007 0.000 0.204 461 K C 0.820 177.380 176.600 -0.067 0.000 1.029 461 K CA 0.343 56.586 56.287 -0.072 0.000 1.177 461 K CB -0.087 32.364 32.500 -0.081 0.000 0.902 461 K HN 0.463 nan 8.250 nan 0.000 0.501 462 G N 1.909 110.671 108.800 -0.063 0.000 2.220 462 G HA2 -0.379 3.576 3.960 -0.007 0.000 0.269 462 G HA3 -0.379 3.576 3.960 -0.007 0.000 0.269 462 G C 0.268 175.148 174.900 -0.032 0.000 0.977 462 G CA 0.330 45.404 45.100 -0.043 0.000 0.634 462 G HN 0.461 nan 8.290 nan 0.000 0.539 463 R N 0.711 121.176 120.500 -0.059 0.000 2.679 463 R HA 0.455 4.791 4.340 -0.007 0.000 0.268 463 R C 0.181 176.545 176.300 0.106 0.000 1.044 463 R CA 0.690 56.788 56.100 -0.004 0.000 1.105 463 R CB 0.131 30.373 30.300 -0.097 0.000 0.989 463 R HN 0.519 nan 8.270 nan 0.000 0.447 464 Q N 1.698 121.618 119.800 0.199 0.000 2.575 464 Q HA 0.351 4.687 4.340 -0.007 0.000 0.290 464 Q C -1.659 174.291 176.000 -0.083 0.000 0.963 464 Q CA -0.977 54.901 55.803 0.125 0.000 0.783 464 Q CB 2.711 31.464 28.738 0.024 0.000 1.467 464 Q HN 0.506 nan 8.270 nan 0.000 0.402 465 K N 0.767 120.929 120.400 -0.396 0.000 2.580 465 K HA 0.504 4.820 4.320 -0.007 0.000 0.258 465 K C -2.059 174.334 176.600 -0.345 0.000 0.936 465 K CA -0.340 55.686 56.287 -0.434 0.000 0.852 465 K CB 2.015 34.087 32.500 -0.713 0.000 1.329 465 K HN 0.372 nan 8.250 nan 0.000 0.430 466 V N 3.295 123.097 119.914 -0.186 0.000 2.638 466 V HA 0.543 4.659 4.120 -0.007 0.000 0.306 466 V C -0.882 175.163 176.094 -0.083 0.000 1.052 466 V CA -0.898 61.330 62.300 -0.121 0.000 0.885 466 V CB 1.891 33.670 31.823 -0.073 0.000 0.999 466 V HN 0.490 nan 8.190 nan 0.000 0.424 467 V N 5.834 125.713 119.914 -0.059 0.000 2.487 467 V HA 0.471 4.587 4.120 -0.007 0.000 0.298 467 V C -2.576 173.512 176.094 -0.010 0.000 1.028 467 V CA -2.063 60.218 62.300 -0.031 0.000 0.860 467 V CB 2.245 34.054 31.823 -0.022 0.000 0.991 467 V HN 0.730 nan 8.190 nan 0.000 0.427 468 P HA 0.482 nan 4.420 nan 0.000 0.276 468 P C -1.069 176.237 177.300 0.011 0.000 1.230 468 P CA -0.134 62.968 63.100 0.003 0.000 0.776 468 P CB 0.687 32.388 31.700 0.001 0.000 0.888 469 L N 2.228 123.460 121.223 0.016 0.000 2.431 469 L HA 0.524 4.860 4.340 -0.007 0.000 0.266 469 L C 0.308 177.190 176.870 0.020 0.000 0.978 469 L CA -0.567 54.286 54.840 0.022 0.000 0.822 469 L CB 2.456 44.532 42.059 0.029 0.000 1.310 469 L HN 0.324 nan 8.230 nan 0.000 0.409 470 T N -1.462 113.104 114.554 0.020 0.000 2.929 470 T HA 0.249 4.595 4.350 -0.007 0.000 0.284 470 T C 0.432 175.144 174.700 0.020 0.000 1.014 470 T CA -0.689 61.421 62.100 0.018 0.000 1.051 470 T CB 1.322 70.199 68.868 0.015 0.000 1.028 470 T HN 0.797 nan 8.240 nan 0.000 0.485 471 N N 1.047 119.758 118.700 0.019 0.000 2.700 471 N HA -0.249 4.487 4.740 -0.007 0.000 0.265 471 N C -0.257 175.267 175.510 0.024 0.000 0.975 471 N CA 1.264 54.325 53.050 0.019 0.000 0.800 471 N CB -1.752 36.745 38.487 0.016 0.000 0.908 471 N HN 1.102 nan 8.380 nan 0.000 0.551 472 T N -2.722 111.849 114.554 0.028 0.000 2.676 472 T HA 0.797 5.143 4.350 -0.007 0.000 0.269 472 T C 0.252 174.973 174.700 0.035 0.000 0.952 472 T CA 0.070 62.191 62.100 0.035 0.000 1.040 472 T CB 1.773 70.666 68.868 0.042 0.000 1.352 472 T HN 0.491 nan 8.240 nan 0.000 0.554 473 T N -1.214 113.367 114.554 0.045 0.000 2.901 473 T HA 0.462 4.808 4.350 -0.007 0.000 0.293 473 T C 0.700 175.434 174.700 0.056 0.000 1.084 473 T CA -0.960 61.165 62.100 0.041 0.000 1.008 473 T CB 1.334 70.221 68.868 0.032 0.000 1.170 473 T HN 0.449 nan 8.240 nan 0.000 0.509 474 N N 0.366 119.097 118.700 0.051 0.000 2.132 474 N HA -0.157 4.579 4.740 -0.007 0.000 0.191 474 N C 1.691 177.264 175.510 0.105 0.000 1.015 474 N CA 1.545 54.636 53.050 0.069 0.000 0.864 474 N CB -0.422 38.101 38.487 0.060 0.000 1.006 474 N HN 0.592 nan 8.380 nan 0.000 0.430 475 Q N 0.448 120.314 119.800 0.111 0.000 2.137 475 Q HA 0.125 4.461 4.340 -0.007 0.000 0.198 475 Q C 1.861 178.038 176.000 0.295 0.000 0.960 475 Q CA 0.907 56.854 55.803 0.240 0.000 0.847 475 Q CB 0.082 28.839 28.738 0.032 0.000 0.915 475 Q HN 0.332 nan 8.270 nan 0.000 0.448 476 K N -0.057 120.453 120.400 0.183 0.000 2.057 476 K HA -0.082 4.233 4.320 -0.007 0.000 0.206 476 K C 2.202 178.864 176.600 0.105 0.000 1.050 476 K CA 1.703 58.073 56.287 0.139 0.000 0.935 476 K CB -0.290 32.268 32.500 0.096 0.000 0.715 476 K HN 0.415 nan 8.250 nan 0.000 0.439 477 T N -0.144 114.467 114.554 0.096 0.000 2.788 477 T HA -0.151 4.195 4.350 -0.007 0.000 0.268 477 T C 1.958 176.710 174.700 0.087 0.000 1.044 477 T CA 0.789 62.937 62.100 0.081 0.000 1.139 477 T CB -0.106 68.803 68.868 0.069 0.000 0.867 477 T HN 0.016 nan 8.240 nan 0.000 0.454 478 Q N 0.954 120.815 119.800 0.102 0.000 2.096 478 Q HA 0.087 4.422 4.340 -0.007 0.000 0.204 478 Q C 2.460 178.499 176.000 0.066 0.000 0.982 478 Q CA 1.178 57.037 55.803 0.094 0.000 0.850 478 Q CB -0.550 28.264 28.738 0.126 0.000 0.901 478 Q HN 0.563 nan 8.270 nan 0.000 0.422 479 L N 0.141 121.394 121.223 0.051 0.000 2.179 479 L HA -0.173 4.162 4.340 -0.007 0.000 0.208 479 L C 2.468 179.372 176.870 0.055 0.000 1.096 479 L CA 0.739 55.583 54.840 0.006 0.000 0.779 479 L CB -0.152 41.888 42.059 -0.032 0.000 0.922 479 L HN 0.185 nan 8.230 nan 0.000 0.443 480 Q N 0.170 120.020 119.800 0.084 0.000 2.083 480 Q HA -0.104 4.232 4.340 -0.007 0.000 0.198 480 Q C 2.210 178.304 176.000 0.157 0.000 0.969 480 Q CA 1.827 57.711 55.803 0.135 0.000 0.838 480 Q CB -0.199 28.603 28.738 0.106 0.000 0.900 480 Q HN 0.402 nan 8.270 nan 0.000 0.436 481 A N 0.273 123.164 122.820 0.118 0.000 1.873 481 A HA -0.207 4.108 4.320 -0.007 0.000 0.218 481 A C 2.131 179.803 177.584 0.146 0.000 1.193 481 A CA 1.768 53.883 52.037 0.131 0.000 0.629 481 A CB -0.911 18.158 19.000 0.115 0.000 0.826 481 A HN 0.453 nan 8.150 nan 0.000 0.447 482 I N -1.992 118.641 120.570 0.105 0.000 2.264 482 I HA -0.274 3.891 4.170 -0.007 0.000 0.248 482 I C 2.417 178.582 176.117 0.080 0.000 1.111 482 I CA 1.667 63.005 61.300 0.064 0.000 1.382 482 I CB -0.358 37.654 38.000 0.020 0.000 1.060 482 I HN 0.545 nan 8.210 nan 0.000 0.418 483 Y N 1.259 121.544 120.300 -0.025 0.000 2.145 483 Y HA -0.224 4.321 4.550 -0.007 0.000 0.286 483 Y C 2.243 178.134 175.900 -0.015 0.000 1.145 483 Y CA 1.353 59.429 58.100 -0.039 0.000 1.148 483 Y CB -0.595 37.851 38.460 -0.024 0.000 0.981 483 Y HN 0.011 nan 8.280 nan 0.000 0.507 484 L N -0.124 121.094 121.223 -0.008 0.000 2.011 484 L HA -0.403 3.933 4.340 -0.007 0.000 0.225 484 L C 2.715 179.607 176.870 0.037 0.000 1.084 484 L CA 1.902 56.755 54.840 0.021 0.000 0.791 484 L CB -1.292 40.877 42.059 0.184 0.000 0.898 484 L HN 0.367 nan 8.230 nan 0.000 0.440 485 A N -0.391 122.416 122.820 -0.023 0.000 1.933 485 A HA -0.137 4.179 4.320 -0.007 0.000 0.218 485 A C 2.215 179.352 177.584 -0.746 0.000 1.175 485 A CA 1.423 53.084 52.037 -0.627 0.000 0.628 485 A CB -0.598 18.046 19.000 -0.592 0.000 0.814 485 A HN 0.384 nan 8.150 nan 0.000 0.444 486 L N -0.854 120.131 121.223 -0.397 0.000 1.994 486 L HA -0.266 4.070 4.340 -0.007 0.000 0.208 486 L C 2.909 179.594 176.870 -0.309 0.000 1.071 486 L CA 1.722 56.373 54.840 -0.315 0.000 0.745 486 L CB -0.794 41.175 42.059 -0.150 0.000 0.892 486 L HN 0.446 nan 8.230 nan 0.000 0.431 487 Q N 0.033 119.621 119.800 -0.354 0.000 2.045 487 Q HA -0.236 4.100 4.340 -0.007 0.000 0.206 487 Q C 0.956 176.849 176.000 -0.178 0.000 0.991 487 Q CA 1.749 57.371 55.803 -0.302 0.000 0.851 487 Q CB -0.223 28.269 28.738 -0.409 0.000 0.911 487 Q HN 0.489 nan 8.270 nan 0.000 0.418 488 D N 0.183 120.493 120.400 -0.150 0.000 2.352 488 D HA 0.049 4.684 4.640 -0.007 0.000 0.236 488 D C 0.071 176.363 176.300 -0.013 0.000 1.148 488 D CA 0.164 54.163 54.000 -0.002 0.000 0.844 488 D CB 0.150 41.103 40.800 0.255 0.000 0.933 488 D HN 0.139 nan 8.370 nan 0.000 0.507 489 S N -1.978 113.621 115.700 -0.168 0.000 2.740 489 S HA 0.796 5.262 4.470 -0.007 0.000 0.300 489 S C 0.524 175.087 174.600 -0.062 0.000 1.147 489 S CA -0.809 57.330 58.200 -0.102 0.000 0.871 489 S CB 2.012 64.965 63.200 -0.413 0.000 1.173 489 S HN 0.016 nan 8.310 nan 0.000 0.510 490 G N -0.377 108.415 108.800 -0.014 0.000 2.543 490 G HA2 0.481 4.437 3.960 -0.007 0.000 0.267 490 G HA3 0.481 4.437 3.960 -0.007 0.000 0.267 490 G C 0.474 175.358 174.900 -0.026 0.000 1.406 490 G CA -0.961 44.133 45.100 -0.010 0.000 1.048 490 G HN 0.687 nan 8.290 nan 0.000 0.548 491 L N -0.449 120.768 121.223 -0.010 0.000 2.362 491 L HA 0.149 4.485 4.340 -0.007 0.000 0.219 491 L C 0.735 177.603 176.870 -0.003 0.000 1.134 491 L CA 0.982 55.817 54.840 -0.008 0.000 0.807 491 L CB -0.348 41.713 42.059 0.004 0.000 0.927 491 L HN 0.385 nan 8.230 nan 0.000 0.447 492 E N -0.289 119.912 120.200 0.002 0.000 2.248 492 E HA 0.609 4.954 4.350 -0.007 0.000 0.267 492 E C -1.273 175.337 176.600 0.016 0.000 0.877 492 E CA -0.422 55.985 56.400 0.012 0.000 0.759 492 E CB 3.334 33.045 29.700 0.019 0.000 1.182 492 E HN -0.160 nan 8.360 nan 0.000 0.418 493 V N 2.551 122.476 119.914 0.018 0.000 3.000 493 V HA 0.346 4.462 4.120 -0.007 0.000 0.300 493 V C -2.000 174.131 176.094 0.060 0.000 1.251 493 V CA -0.657 61.658 62.300 0.025 0.000 0.972 493 V CB 2.250 34.013 31.823 -0.099 0.000 1.065 493 V HN 0.752 nan 8.190 nan 0.000 0.431 494 N N 6.394 125.155 118.700 0.101 0.000 2.446 494 N HA 0.683 5.418 4.740 -0.007 0.000 0.265 494 N C -0.845 174.698 175.510 0.054 0.000 0.975 494 N CA -0.547 52.584 53.050 0.134 0.000 0.928 494 N CB 1.742 40.315 38.487 0.144 0.000 1.160 494 N HN 0.609 nan 8.380 nan 0.000 0.495 495 I N 1.479 122.042 120.570 -0.012 0.000 2.607 495 I HA 0.515 4.681 4.170 -0.007 0.000 0.305 495 I C -0.381 175.659 176.117 -0.127 0.000 0.995 495 I CA -1.167 60.096 61.300 -0.061 0.000 1.148 495 I CB 1.771 39.725 38.000 -0.077 0.000 1.323 495 I HN 0.108 nan 8.210 nan 0.000 0.461 496 V N 3.220 123.041 119.914 -0.156 0.000 2.567 496 V HA 0.365 4.481 4.120 -0.007 0.000 0.298 496 V C -0.378 175.668 176.094 -0.080 0.000 1.047 496 V CA -0.383 61.806 62.300 -0.184 0.000 0.880 496 V CB 1.986 33.567 31.823 -0.403 0.000 1.009 496 V HN 0.897 nan 8.190 nan 0.000 0.429 497 T N 1.197 115.714 114.554 -0.062 0.000 2.942 497 T HA 0.479 4.825 4.350 -0.007 0.000 0.289 497 T C 0.009 174.601 174.700 -0.180 0.000 1.044 497 T CA -0.578 61.500 62.100 -0.037 0.000 1.023 497 T CB 1.885 70.783 68.868 0.049 0.000 1.123 497 T HN 0.765 nan 8.240 nan 0.000 0.512 498 D N -0.998 119.297 120.400 -0.176 0.000 2.463 498 D HA 0.158 4.794 4.640 -0.007 0.000 0.224 498 D C 0.150 176.576 176.300 0.211 0.000 1.174 498 D CA -0.403 53.398 54.000 -0.333 0.000 0.829 498 D CB 0.086 40.684 40.800 -0.337 0.000 0.993 498 D HN 0.309 nan 8.370 nan 0.000 0.497 499 S N 0.415 116.296 115.700 0.301 0.000 2.434 499 S HA 0.078 4.544 4.470 -0.007 0.000 0.318 499 S C 1.223 176.025 174.600 0.336 0.000 1.062 499 S CA -0.569 57.825 58.200 0.322 0.000 1.116 499 S CB 0.737 64.051 63.200 0.189 0.000 0.977 499 S HN 0.071 nan 8.310 nan 0.000 0.480 500 Q N 3.121 123.085 119.800 0.274 0.000 2.062 500 Q HA -0.203 4.133 4.340 -0.007 0.000 0.209 500 Q C 1.281 177.315 176.000 0.057 0.000 0.996 500 Q CA 1.968 57.753 55.803 -0.029 0.000 0.859 500 Q CB -0.516 28.172 28.738 -0.083 0.000 0.920 500 Q HN 0.972 nan 8.270 nan 0.000 0.415 501 Y N 1.048 121.352 120.300 0.006 0.000 1.993 501 Y HA -0.332 4.214 4.550 -0.008 0.000 0.267 501 Y C 2.327 178.233 175.900 0.009 0.000 1.155 501 Y CA 1.788 59.894 58.100 0.010 0.000 1.105 501 Y CB -1.058 37.422 38.460 0.033 0.000 0.960 501 Y HN 0.102 nan 8.280 nan 0.000 0.486 502 A N 0.328 123.021 122.820 -0.211 0.000 1.892 502 A HA -0.239 4.077 4.320 -0.007 0.000 0.218 502 A C 2.332 179.815 177.584 -0.167 0.000 1.188 502 A CA 2.122 53.969 52.037 -0.315 0.000 0.631 502 A CB -1.490 17.428 19.000 -0.138 0.000 0.822 502 A HN 0.621 nan 8.150 nan 0.000 0.447 503 L N 0.091 121.284 121.223 -0.050 0.000 2.042 503 L HA -0.047 4.289 4.340 -0.007 0.000 0.210 503 L C 2.395 179.230 176.870 -0.058 0.000 1.076 503 L CA 2.403 57.224 54.840 -0.032 0.000 0.749 503 L CB -1.069 41.000 42.059 0.017 0.000 0.893 503 L HN 0.316 nan 8.230 nan 0.000 0.432 504 G N -0.072 108.683 108.800 -0.075 0.000 2.459 504 G HA2 -0.288 3.668 3.960 -0.007 0.000 0.217 504 G HA3 -0.288 3.668 3.960 -0.007 0.000 0.217 504 G C 1.620 176.521 174.900 0.000 0.000 1.183 504 G CA 1.311 46.381 45.100 -0.050 0.000 0.776 504 G HN 0.497 nan 8.290 nan 0.000 0.552 505 I N 0.982 121.508 120.570 -0.073 0.000 2.208 505 I HA -0.187 3.979 4.170 -0.007 0.000 0.245 505 I C 2.534 178.631 176.117 -0.033 0.000 1.097 505 I CA 0.799 62.032 61.300 -0.111 0.000 1.363 505 I CB -0.199 37.578 38.000 -0.371 0.000 1.051 505 I HN 0.111 nan 8.210 nan 0.000 0.413 506 I N 0.175 120.726 120.570 -0.033 0.000 2.353 506 I HA -0.197 3.969 4.170 -0.007 0.000 0.248 506 I C 2.558 178.757 176.117 0.137 0.000 1.119 506 I CA 1.216 62.547 61.300 0.051 0.000 1.417 506 I CB -1.438 36.565 38.000 0.005 0.000 1.078 506 I HN 0.367 nan 8.210 nan 0.000 0.421 507 Q N 1.193 121.053 119.800 0.099 0.000 2.133 507 Q HA -0.169 4.167 4.340 -0.007 0.000 0.208 507 Q C 2.062 178.192 176.000 0.217 0.000 0.991 507 Q CA 1.940 57.821 55.803 0.130 0.000 0.867 507 Q CB -0.448 28.343 28.738 0.088 0.000 0.911 507 Q HN 0.563 nan 8.270 nan 0.000 0.417 508 A N 0.541 123.525 122.820 0.275 0.000 2.276 508 A HA -0.015 4.301 4.320 -0.007 0.000 0.212 508 A C 0.289 178.060 177.584 0.313 0.000 1.230 508 A CA 0.002 52.267 52.037 0.380 0.000 0.844 508 A CB -0.283 18.983 19.000 0.442 0.000 0.860 508 A HN 0.415 nan 8.150 nan 0.000 0.486 509 Q N -1.126 118.810 119.800 0.225 0.000 2.416 509 Q HA -0.150 4.186 4.340 -0.007 0.000 0.319 509 Q C -2.211 173.843 176.000 0.090 0.000 1.318 509 Q CA 0.359 56.187 55.803 0.041 0.000 0.915 509 Q CB -1.669 26.973 28.738 -0.159 0.000 1.184 509 Q HN 0.527 nan 8.270 nan 0.000 0.444 510 P HA -0.051 nan 4.420 nan 0.000 0.268 510 P C -0.017 177.445 177.300 0.268 0.000 1.205 510 P CA 0.489 63.718 63.100 0.216 0.000 0.771 510 P CB 0.536 32.361 31.700 0.209 0.000 0.858 511 D N 0.319 120.847 120.400 0.213 0.000 2.479 511 D HA 0.175 4.811 4.640 -0.007 0.000 0.218 511 D C 0.151 176.509 176.300 0.095 0.000 1.177 511 D CA -0.121 54.006 54.000 0.211 0.000 0.830 511 D CB 0.362 41.355 40.800 0.322 0.000 1.014 511 D HN 0.242 nan 8.370 nan 0.000 0.503 512 K N -0.567 119.901 120.400 0.113 0.000 2.598 512 K HA 0.477 4.793 4.320 -0.007 0.000 0.271 512 K C -2.092 174.582 176.600 0.124 0.000 0.947 512 K CA -0.506 55.830 56.287 0.082 0.000 0.854 512 K CB 1.907 34.450 32.500 0.072 0.000 1.401 512 K HN -0.026 nan 8.250 nan 0.000 0.415 513 S N 1.095 116.860 115.700 0.107 0.000 2.567 513 S HA 0.254 4.720 4.470 -0.007 0.000 0.270 513 S C -0.720 173.932 174.600 0.087 0.000 1.152 513 S CA -0.502 57.797 58.200 0.165 0.000 0.835 513 S CB 1.440 64.796 63.200 0.261 0.000 1.115 513 S HN 0.665 nan 8.310 nan 0.000 0.459 514 E N 0.758 120.994 120.200 0.060 0.000 2.474 514 E HA 0.227 4.573 4.350 -0.007 0.000 0.195 514 E C 0.222 176.849 176.600 0.045 0.000 1.039 514 E CA -0.086 56.331 56.400 0.028 0.000 0.881 514 E CB 0.462 30.158 29.700 -0.007 0.000 0.970 514 E HN 0.278 nan 8.360 nan 0.000 0.486 515 S N 0.912 116.667 115.700 0.091 0.000 2.452 515 S HA 0.076 4.542 4.470 -0.007 0.000 0.284 515 S C 0.907 175.521 174.600 0.024 0.000 1.171 515 S CA -0.607 57.640 58.200 0.078 0.000 1.064 515 S CB 0.932 64.218 63.200 0.144 0.000 0.967 515 S HN -0.015 nan 8.310 nan 0.000 0.484 516 E N 3.443 123.641 120.200 -0.004 0.000 2.049 516 E HA -0.134 4.212 4.350 -0.007 0.000 0.198 516 E C 1.777 178.318 176.600 -0.098 0.000 1.007 516 E CA 1.041 57.416 56.400 -0.041 0.000 0.809 516 E CB -0.491 29.188 29.700 -0.036 0.000 0.749 516 E HN 0.696 nan 8.360 nan 0.000 0.450 517 L N 0.669 121.828 121.223 -0.107 0.000 1.965 517 L HA -0.239 4.096 4.340 -0.007 0.000 0.226 517 L C 2.462 179.196 176.870 -0.226 0.000 1.083 517 L CA 1.712 56.435 54.840 -0.196 0.000 0.790 517 L CB -1.154 40.836 42.059 -0.114 0.000 0.898 517 L HN 0.017 nan 8.230 nan 0.000 0.439 518 V N 0.452 120.292 119.914 -0.123 0.000 2.317 518 V HA -0.362 3.754 4.120 -0.007 0.000 0.251 518 V C 2.385 178.418 176.094 -0.101 0.000 1.065 518 V CA 2.075 64.307 62.300 -0.114 0.000 1.049 518 V CB -0.956 30.832 31.823 -0.058 0.000 0.651 518 V HN 0.560 nan 8.190 nan 0.000 0.450 519 N N -0.276 118.378 118.700 -0.078 0.000 2.309 519 N HA -0.163 4.572 4.740 -0.007 0.000 0.182 519 N C 1.927 177.370 175.510 -0.113 0.000 1.018 519 N CA 1.210 54.218 53.050 -0.070 0.000 0.876 519 N CB -0.174 38.284 38.487 -0.049 0.000 0.972 519 N HN 0.633 nan 8.380 nan 0.000 0.434 520 Q N 0.437 120.118 119.800 -0.198 0.000 2.137 520 Q HA 0.107 4.442 4.340 -0.007 0.000 0.198 520 Q C 2.161 178.049 176.000 -0.186 0.000 0.960 520 Q CA 0.554 56.211 55.803 -0.243 0.000 0.847 520 Q CB 0.125 28.547 28.738 -0.528 0.000 0.915 520 Q HN 0.358 nan 8.270 nan 0.000 0.448 521 I N 0.944 121.359 120.570 -0.258 0.000 2.208 521 I HA -0.292 3.874 4.170 -0.007 0.000 0.245 521 I C 2.093 178.141 176.117 -0.114 0.000 1.097 521 I CA 0.967 62.205 61.300 -0.103 0.000 1.363 521 I CB -0.482 37.441 38.000 -0.128 0.000 1.051 521 I HN 0.264 nan 8.210 nan 0.000 0.413 522 I N 1.421 121.919 120.570 -0.120 0.000 2.113 522 I HA -0.285 3.881 4.170 -0.007 0.000 0.238 522 I C 2.662 178.704 176.117 -0.126 0.000 1.070 522 I CA 1.931 63.153 61.300 -0.130 0.000 1.332 522 I CB -1.513 36.471 38.000 -0.027 0.000 1.044 522 I HN 0.428 nan 8.210 nan 0.000 0.402 523 E N 0.935 121.089 120.200 -0.077 0.000 2.097 523 E HA -0.276 4.069 4.350 -0.007 0.000 0.196 523 E C 2.006 178.582 176.600 -0.040 0.000 1.000 523 E CA 1.101 57.468 56.400 -0.055 0.000 0.804 523 E CB -0.442 29.235 29.700 -0.038 0.000 0.740 523 E HN 0.490 nan 8.360 nan 0.000 0.454 524 Q N 0.853 120.645 119.800 -0.014 0.000 2.061 524 Q HA -0.088 4.248 4.340 -0.007 0.000 0.204 524 Q C 2.503 178.444 176.000 -0.099 0.000 0.984 524 Q CA 1.202 56.992 55.803 -0.022 0.000 0.846 524 Q CB -0.378 28.387 28.738 0.045 0.000 0.902 524 Q HN 0.431 nan 8.270 nan 0.000 0.421 525 L N 0.203 121.307 121.223 -0.198 0.000 2.131 525 L HA -0.155 4.181 4.340 -0.007 0.000 0.210 525 L C 2.270 179.002 176.870 -0.230 0.000 1.092 525 L CA 0.769 55.403 54.840 -0.342 0.000 0.759 525 L CB -0.306 41.277 42.059 -0.792 0.000 0.903 525 L HN 0.188 nan 8.230 nan 0.000 0.435 526 I N -0.624 119.872 120.570 -0.123 0.000 2.500 526 I HA -0.221 3.945 4.170 -0.007 0.000 0.252 526 I C 2.578 178.723 176.117 0.047 0.000 1.142 526 I CA 0.765 62.094 61.300 0.048 0.000 1.451 526 I CB -0.348 37.709 38.000 0.095 0.000 1.093 526 I HN 0.267 nan 8.210 nan 0.000 0.430 527 K N 1.988 122.389 120.400 0.002 0.000 2.002 527 K HA -0.123 4.193 4.320 -0.007 0.000 0.209 527 K C 0.761 177.365 176.600 0.007 0.000 1.048 527 K CA 1.013 57.303 56.287 0.006 0.000 0.930 527 K CB 0.113 32.606 32.500 -0.012 0.000 0.714 527 K HN 0.014 nan 8.250 nan 0.000 0.438 528 K N 1.568 121.959 120.400 -0.014 0.000 2.494 528 K HA -0.101 4.215 4.320 -0.007 0.000 0.273 528 K C 0.854 177.468 176.600 0.023 0.000 0.970 528 K CA 0.710 56.991 56.287 -0.011 0.000 0.963 528 K CB 0.607 33.085 32.500 -0.037 0.000 0.913 528 K HN 0.348 nan 8.250 nan 0.000 0.502 529 E N 1.124 121.339 120.200 0.024 0.000 2.251 529 E HA 0.007 4.353 4.350 -0.007 0.000 0.194 529 E C -0.292 176.336 176.600 0.047 0.000 0.964 529 E CA 0.725 57.148 56.400 0.039 0.000 0.868 529 E CB 0.431 30.149 29.700 0.029 0.000 0.828 529 E HN 0.314 nan 8.360 nan 0.000 0.481 530 K N 0.928 121.351 120.400 0.039 0.000 2.615 530 K HA 0.363 4.679 4.320 -0.007 0.000 0.249 530 K C -1.575 175.057 176.600 0.053 0.000 0.977 530 K CA -0.330 55.989 56.287 0.053 0.000 0.833 530 K CB 2.837 35.364 32.500 0.044 0.000 1.208 530 K HN -0.181 nan 8.250 nan 0.000 0.443 531 V N 2.925 122.885 119.914 0.076 0.000 2.680 531 V HA 0.446 4.561 4.120 -0.007 0.000 0.309 531 V C -1.263 174.918 176.094 0.146 0.000 1.052 531 V CA -0.963 61.379 62.300 0.071 0.000 0.908 531 V CB 1.656 33.490 31.823 0.018 0.000 1.001 531 V HN 0.737 nan 8.190 nan 0.000 0.431 532 Y N 4.891 125.189 120.300 -0.004 0.000 2.331 532 Y HA 0.694 5.240 4.550 -0.008 0.000 0.326 532 Y C -1.394 174.501 175.900 -0.009 0.000 1.020 532 Y CA -0.831 57.270 58.100 0.002 0.000 1.136 532 Y CB 1.454 39.913 38.460 -0.003 0.000 1.157 532 Y HN 0.553 nan 8.280 nan 0.000 0.444 533 L N 5.643 126.511 121.223 -0.592 0.000 2.331 533 L HA 0.930 5.265 4.340 -0.007 0.000 0.275 533 L C -1.043 175.463 176.870 -0.607 0.000 1.022 533 L CA -0.632 53.956 54.840 -0.419 0.000 0.812 533 L CB 1.337 43.273 42.059 -0.205 0.000 1.257 533 L HN 0.835 nan 8.230 nan 0.000 0.435 534 A N 3.589 126.218 122.820 -0.318 0.000 2.517 534 A HA 0.539 4.855 4.320 -0.007 0.000 0.297 534 A C -2.128 175.455 177.584 -0.000 0.000 1.050 534 A CA -0.538 51.384 52.037 -0.192 0.000 0.694 534 A CB 0.882 19.797 19.000 -0.141 0.000 1.277 534 A HN 0.705 nan 8.150 nan 0.000 0.400 535 W N 2.520 123.764 121.300 -0.093 0.000 2.512 535 W HA 0.647 5.305 4.660 -0.003 0.000 0.335 535 W C -0.569 175.939 176.519 -0.017 0.000 1.088 535 W CA 0.014 57.328 57.345 -0.052 0.000 1.236 535 W CB 1.862 31.291 29.460 -0.051 0.000 1.307 535 W HN 1.019 nan 8.180 nan 0.000 0.567 536 V N 2.514 121.758 119.914 -1.117 0.000 3.087 536 V HA 0.641 4.757 4.120 -0.007 0.000 0.306 536 V C -2.772 172.260 176.094 -1.770 0.000 1.187 536 V CA -3.090 58.595 62.300 -1.025 0.000 0.999 536 V CB 1.448 33.011 31.823 -0.433 0.000 1.049 536 V HN 0.473 nan 8.190 nan 0.000 0.431 537 P HA 0.331 nan 4.420 nan 0.000 0.265 537 P C -0.010 177.046 177.300 -0.407 0.000 1.193 537 P CA 0.634 63.369 63.100 -0.608 0.000 0.765 537 P CB 0.488 32.089 31.700 -0.165 0.000 0.823 538 A N 3.067 125.715 122.820 -0.287 0.000 2.346 538 A HA 0.221 4.537 4.320 -0.007 0.000 0.252 538 A C 0.217 177.672 177.584 -0.215 0.000 1.089 538 A CA -0.132 51.702 52.037 -0.339 0.000 0.797 538 A CB -0.940 17.777 19.000 -0.471 0.000 1.047 538 A HN 0.833 nan 8.150 nan 0.000 0.494 539 H N -1.688 117.362 119.070 -0.034 0.000 2.861 539 H HA -0.130 4.421 4.556 -0.009 0.000 0.289 539 H C 0.033 175.347 175.328 -0.023 0.000 1.176 539 H CA 1.198 57.235 56.048 -0.019 0.000 1.146 539 H CB -1.332 28.428 29.762 -0.003 0.000 1.330 539 H HN 0.529 nan 8.280 nan 0.000 0.379 540 K N -0.320 120.094 120.400 0.023 0.000 2.288 540 K HA 0.473 4.789 4.320 -0.007 0.000 0.234 540 K C 1.704 178.299 176.600 -0.009 0.000 1.037 540 K CA -0.069 56.222 56.287 0.007 0.000 0.914 540 K CB 0.536 33.024 32.500 -0.021 0.000 1.197 540 K HN 0.133 nan 8.250 nan 0.000 0.471 541 G N 1.207 110.001 108.800 -0.011 0.000 2.806 541 G HA2 -0.175 3.780 3.960 -0.007 0.000 0.214 541 G HA3 -0.175 3.780 3.960 -0.007 0.000 0.214 541 G C 0.214 175.092 174.900 -0.037 0.000 1.331 541 G CA 0.553 45.641 45.100 -0.020 0.000 0.807 541 G HN 0.548 nan 8.290 nan 0.000 0.644 542 I N 1.850 122.398 120.570 -0.036 0.000 3.614 542 I HA -0.225 3.940 4.170 -0.007 0.000 0.126 542 I C 1.937 178.009 176.117 -0.076 0.000 0.995 542 I CA 0.543 61.820 61.300 -0.039 0.000 2.744 542 I CB -2.086 35.887 38.000 -0.045 0.000 1.219 542 I HN 0.383 nan 8.210 nan 0.000 0.343 543 G N 4.575 113.323 108.800 -0.087 0.000 2.545 543 G HA2 -0.258 3.697 3.960 -0.007 0.000 0.222 543 G HA3 -0.258 3.697 3.960 -0.007 0.000 0.222 543 G C 1.415 176.139 174.900 -0.293 0.000 1.126 543 G CA 1.150 46.162 45.100 -0.146 0.000 0.754 543 G HN 0.770 nan 8.290 nan 0.000 0.583 544 G N 0.441 108.968 108.800 -0.455 0.000 2.424 544 G HA2 -0.232 3.724 3.960 -0.007 0.000 0.214 544 G HA3 -0.232 3.724 3.960 -0.007 0.000 0.214 544 G C 1.666 176.265 174.900 -0.501 0.000 1.202 544 G CA 0.990 45.375 45.100 -1.191 0.000 0.793 544 G HN 0.501 nan 8.290 nan 0.000 0.534 545 N N 0.695 119.320 118.700 -0.125 0.000 2.104 545 N HA -0.150 4.586 4.740 -0.007 0.000 0.190 545 N C 2.074 177.541 175.510 -0.072 0.000 1.024 545 N CA 1.541 54.576 53.050 -0.026 0.000 0.853 545 N CB -0.233 38.226 38.487 -0.046 0.000 1.008 545 N HN 0.502 nan 8.380 nan 0.000 0.424 546 E N 0.271 120.416 120.200 -0.092 0.000 2.070 546 E HA -0.266 4.080 4.350 -0.007 0.000 0.197 546 E C 1.896 178.464 176.600 -0.054 0.000 1.004 546 E CA 1.488 57.850 56.400 -0.063 0.000 0.805 546 E CB 0.056 29.721 29.700 -0.060 0.000 0.744 546 E HN 0.372 nan 8.360 nan 0.000 0.451 547 Q N -0.034 119.716 119.800 -0.084 0.000 1.993 547 Q HA -0.139 4.197 4.340 -0.007 0.000 0.202 547 Q C 2.297 178.277 176.000 -0.032 0.000 0.984 547 Q CA 1.877 57.642 55.803 -0.064 0.000 0.837 547 Q CB -0.315 28.367 28.738 -0.092 0.000 0.902 547 Q HN 0.236 nan 8.270 nan 0.000 0.423 548 V N 0.803 120.704 119.914 -0.021 0.000 2.453 548 V HA -0.295 3.820 4.120 -0.007 0.000 0.252 548 V C 1.645 177.747 176.094 0.014 0.000 1.068 548 V CA 2.075 64.388 62.300 0.022 0.000 1.070 548 V CB -0.749 31.119 31.823 0.074 0.000 0.664 548 V HN 0.346 nan 8.190 nan 0.000 0.461 549 D N 0.036 120.436 120.400 -0.000 0.000 2.084 549 D HA -0.134 4.501 4.640 -0.007 0.000 0.196 549 D C 2.223 178.535 176.300 0.021 0.000 0.985 549 D CA 1.298 55.302 54.000 0.007 0.000 0.826 549 D CB -0.095 40.703 40.800 -0.003 0.000 0.978 549 D HN 0.355 nan 8.370 nan 0.000 0.456 550 K N -0.216 120.191 120.400 0.012 0.000 2.015 550 K HA -0.180 4.136 4.320 -0.007 0.000 0.216 550 K C 2.185 178.789 176.600 0.007 0.000 1.052 550 K CA 1.339 57.633 56.287 0.010 0.000 0.937 550 K CB -0.289 32.210 32.500 -0.001 0.000 0.719 550 K HN 0.180 nan 8.250 nan 0.000 0.446 551 L N -0.062 121.162 121.223 0.001 0.000 2.017 551 L HA -0.171 4.165 4.340 -0.007 0.000 0.208 551 L C 2.356 179.227 176.870 0.002 0.000 1.073 551 L CA 0.896 55.734 54.840 -0.003 0.000 0.745 551 L CB -0.586 41.466 42.059 -0.010 0.000 0.894 551 L HN 0.062 nan 8.230 nan 0.000 0.432 552 V N -0.191 119.729 119.914 0.009 0.000 3.141 552 V HA -0.083 4.033 4.120 -0.007 0.000 0.265 552 V C 1.456 177.564 176.094 0.022 0.000 1.126 552 V CA 1.391 63.700 62.300 0.015 0.000 1.141 552 V CB -0.133 31.704 31.823 0.024 0.000 0.743 552 V HN 0.576 nan 8.190 nan 0.000 0.492 553 S N -0.355 115.361 115.700 0.025 0.000 2.438 553 S HA 0.552 5.017 4.470 -0.007 0.000 0.227 553 S C 0.727 175.341 174.600 0.022 0.000 1.265 553 S CA 0.177 58.396 58.200 0.031 0.000 1.265 553 S CB 1.031 64.260 63.200 0.049 0.000 0.987 553 S HN 0.437 nan 8.310 nan 0.000 0.502 554 A N 0.751 123.580 122.820 0.015 0.000 2.275 554 A HA 0.559 4.875 4.320 -0.007 0.000 0.212 554 A C 1.623 179.214 177.584 0.011 0.000 1.201 554 A CA 0.207 52.250 52.037 0.010 0.000 0.843 554 A CB -0.478 18.525 19.000 0.005 0.000 0.873 554 A HN 0.746 nan 8.150 nan 0.000 0.492 555 G N 0.080 108.889 108.800 0.015 0.000 3.440 555 G HA2 0.439 4.395 3.960 -0.007 0.000 0.263 555 G HA3 0.439 4.395 3.960 -0.007 0.000 0.263 555 G C 0.465 175.376 174.900 0.018 0.000 1.236 555 G CA -0.096 45.014 45.100 0.016 0.000 0.927 555 G HN 0.425 nan 8.290 nan 0.000 0.530 556 I N 0.000 120.580 120.570 0.016 0.000 2.984 556 I HA 0.000 4.166 4.170 -0.007 0.000 0.288 556 I CA 0.000 61.309 61.300 0.015 0.000 1.566 556 I CB 0.000 38.006 38.000 0.010 0.000 1.214 556 I HN 0.000 nan 8.210 nan 0.000 0.494