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 2opr_1_A DATA FIRST_RESID 2 DATA SEQUENCE ISPIETVPVK LKPGMDGPKV KQWPLTEEKI KALVEICTEM EKEGKISKIG DATA SEQUENCE XXNPYNTPVF AIXXXXXXKW RKLVDFRELN KRTQDFWEVQ LGIPHPAGLE DATA SEQUENCE KKKSVTVLDV GDAYFSVPLD EDFRKYTAFT IPSINNETPG IRYQYNVLPQ DATA SEQUENCE GWKGSPAIFQ SSMTKILEPF RKQNPDIVIY QYMDDLYVGS DLEIGQHRTK DATA SEQUENCE IEELRQHLLR WGLTTPDKKH QKEPPFLWMG YELHPDKWTV QPIVLPEKDS DATA SEQUENCE WTVNDIQKLV GKLNWASQIY PGIKVRQLXK LLRGTKALTE VIPLTEEAEL DATA SEQUENCE ELAENREILK EPVHGVYYDP SKDLIAEIQK QGQGQWTYQI YQEPFKNLKT DATA SEQUENCE GKYARMRGAH TNDVKQLTEA VQKITTESIV IWGKTPKFKL PIQKETWETW DATA SEQUENCE WTEYWQATWI PEWEFVNTPP LVKLWYQLEK EPIVGAETFY VDGAANRETK DATA SEQUENCE LGKAGYVTNR GRQKVVTLTD TTNQKTELQA IYLALQDSGL EVNIVTDSQY DATA SEQUENCE ALGIIQAQPD QSESELVNQI IEQLIKKEKV YLAWVPAHKG IGGNEQV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.143 176.117 0.043 0.000 1.063 2 I CA 0.000 61.322 61.300 0.037 0.000 1.566 2 I CB 0.000 38.026 38.000 0.043 0.000 1.214 3 S N 0.722 116.457 115.700 0.057 0.000 2.600 3 S HA 0.581 5.066 4.470 0.024 0.000 0.300 3 S C -1.998 172.655 174.600 0.089 0.000 1.087 3 S CA -1.056 57.188 58.200 0.073 0.000 0.965 3 S CB 1.637 64.893 63.200 0.093 0.000 1.089 3 S HN -0.065 nan 8.310 nan 0.000 0.496 4 P HA -0.026 nan 4.420 nan 0.000 0.210 4 P C 0.184 177.649 177.300 0.275 0.000 1.185 4 P CA 0.837 64.036 63.100 0.165 0.000 0.924 4 P CB -0.265 31.577 31.700 0.238 0.000 0.786 5 I N -0.019 120.738 120.570 0.312 0.000 2.683 5 I HA 0.106 4.291 4.170 0.024 0.000 0.286 5 I C 0.520 176.709 176.117 0.121 0.000 1.175 5 I CA -0.744 60.681 61.300 0.208 0.000 1.429 5 I CB -0.924 37.140 38.000 0.108 0.000 1.371 5 I HN 0.077 nan 8.210 nan 0.000 0.569 6 E N 4.782 125.040 120.200 0.097 0.000 2.415 6 E HA 0.122 4.487 4.350 0.024 0.000 0.262 6 E C 0.115 176.742 176.600 0.045 0.000 1.038 6 E CA -0.188 56.252 56.400 0.068 0.000 0.921 6 E CB 0.712 30.444 29.700 0.054 0.000 0.950 6 E HN 0.847 nan 8.360 nan 0.000 0.438 7 T N 0.054 114.636 114.554 0.046 0.000 2.874 7 T HA 0.438 4.803 4.350 0.024 0.000 0.281 7 T C -0.122 174.597 174.700 0.031 0.000 0.994 7 T CA -1.020 61.103 62.100 0.038 0.000 1.015 7 T CB 1.196 70.094 68.868 0.050 0.000 1.028 7 T HN 0.204 nan 8.240 nan 0.000 0.523 8 V N 3.618 123.547 119.914 0.024 0.000 2.472 8 V HA 0.427 4.562 4.120 0.024 0.000 0.290 8 V C -1.929 174.195 176.094 0.051 0.000 1.037 8 V CA -2.127 60.191 62.300 0.029 0.000 0.908 8 V CB 1.470 33.302 31.823 0.014 0.000 0.985 8 V HN 0.878 nan 8.190 nan 0.000 0.454 9 P HA 0.144 nan 4.420 nan 0.000 0.269 9 P C -0.771 176.573 177.300 0.073 0.000 1.263 9 P CA 0.204 63.346 63.100 0.069 0.000 0.813 9 P CB 0.785 32.519 31.700 0.057 0.000 0.868 10 V N 5.432 125.380 119.914 0.057 0.000 2.483 10 V HA 0.416 4.551 4.120 0.024 0.000 0.295 10 V C 0.539 176.665 176.094 0.055 0.000 1.035 10 V CA -0.463 61.822 62.300 -0.025 0.000 0.896 10 V CB 1.960 33.585 31.823 -0.331 0.000 0.986 10 V HN 0.454 nan 8.190 nan 0.000 0.447 11 K N 3.977 124.392 120.400 0.025 0.000 2.395 11 K HA 0.674 5.009 4.320 0.024 0.000 0.247 11 K C -1.195 175.475 176.600 0.117 0.000 0.973 11 K CA -0.825 55.527 56.287 0.108 0.000 0.828 11 K CB 2.786 35.303 32.500 0.030 0.000 1.272 11 K HN 0.387 nan 8.250 nan 0.000 0.439 12 L N 1.716 122.991 121.223 0.087 0.000 2.399 12 L HA 0.299 4.653 4.340 0.024 0.000 0.266 12 L C 0.544 177.407 176.870 -0.011 0.000 1.114 12 L CA -0.686 54.167 54.840 0.023 0.000 0.804 12 L CB 0.602 42.582 42.059 -0.132 0.000 1.146 12 L HN 0.356 nan 8.230 nan 0.000 0.451 13 K N 2.024 122.413 120.400 -0.018 0.000 2.561 13 K HA 0.025 4.360 4.320 0.024 0.000 0.280 13 K C -2.265 174.327 176.600 -0.014 0.000 0.975 13 K CA -1.219 55.050 56.287 -0.029 0.000 1.024 13 K CB -0.329 32.159 32.500 -0.019 0.000 0.883 13 K HN 0.264 nan 8.250 nan 0.000 0.496 14 P HA -0.129 nan 4.420 nan 0.000 0.264 14 P C 0.790 178.094 177.300 0.007 0.000 1.183 14 P CA 1.140 64.239 63.100 -0.001 0.000 0.763 14 P CB 0.567 32.265 31.700 -0.003 0.000 0.807 15 G N 2.070 110.879 108.800 0.015 0.000 2.417 15 G HA2 -0.303 3.672 3.960 0.024 0.000 0.233 15 G HA3 -0.303 3.672 3.960 0.024 0.000 0.233 15 G C 0.415 175.333 174.900 0.030 0.000 1.103 15 G CA 0.065 45.179 45.100 0.023 0.000 0.647 15 G HN 0.465 nan 8.290 nan 0.000 0.512 16 M N 0.653 120.267 119.600 0.024 0.000 2.157 16 M HA 0.531 5.026 4.480 0.024 0.000 0.304 16 M C 0.175 176.497 176.300 0.037 0.000 1.171 16 M CA 0.430 55.750 55.300 0.033 0.000 1.157 16 M CB 0.565 33.181 32.600 0.027 0.000 1.403 16 M HN 0.334 nan 8.290 nan 0.000 0.473 17 D N -0.842 119.596 120.400 0.064 0.000 2.559 17 D HA 0.489 5.144 4.640 0.024 0.000 0.250 17 D C -0.489 175.883 176.300 0.120 0.000 1.135 17 D CA -0.206 53.858 54.000 0.105 0.000 0.955 17 D CB 1.480 42.394 40.800 0.191 0.000 1.442 17 D HN 0.679 nan 8.370 nan 0.000 0.471 18 G N 1.017 109.897 108.800 0.133 0.000 2.568 18 G HA2 0.231 4.206 3.960 0.024 0.000 0.231 18 G HA3 0.231 4.206 3.960 0.024 0.000 0.231 18 G C -2.230 172.910 174.900 0.400 0.000 1.261 18 G CA -0.585 44.563 45.100 0.081 0.000 0.855 18 G HN 0.345 nan 8.290 nan 0.000 0.576 19 P HA 0.122 nan 4.420 nan 0.000 0.267 19 P C -0.134 177.328 177.300 0.269 0.000 1.201 19 P CA 0.255 63.514 63.100 0.266 0.000 0.775 19 P CB 0.456 32.303 31.700 0.245 0.000 0.854 20 K N 1.270 121.760 120.400 0.150 0.000 3.262 20 K HA 0.278 4.612 4.320 0.024 0.000 0.166 20 K C -1.089 175.528 176.600 0.029 0.000 1.091 20 K CA -0.259 56.072 56.287 0.073 0.000 0.798 20 K CB 0.656 33.185 32.500 0.048 0.000 0.953 20 K HN 0.148 nan 8.250 nan 0.000 0.588 21 V N 1.443 121.372 119.914 0.025 0.000 2.713 21 V HA 0.364 4.498 4.120 0.024 0.000 0.307 21 V C 0.374 176.428 176.094 -0.067 0.000 1.052 21 V CA -0.931 61.353 62.300 -0.027 0.000 0.967 21 V CB 1.789 33.601 31.823 -0.017 0.000 1.019 21 V HN 0.353 nan 8.190 nan 0.000 0.459 22 K N 2.033 122.353 120.400 -0.133 0.000 2.201 22 K HA 0.538 4.872 4.320 0.024 0.000 0.278 22 K C -0.473 176.007 176.600 -0.200 0.000 1.027 22 K CA -0.710 55.483 56.287 -0.155 0.000 0.909 22 K CB 1.249 33.641 32.500 -0.180 0.000 1.062 22 K HN 0.444 nan 8.250 nan 0.000 0.465 23 Q N 3.370 123.105 119.800 -0.107 0.000 2.281 23 Q HA 0.061 4.416 4.340 0.024 0.000 0.267 23 Q C -1.235 174.768 176.000 0.005 0.000 1.053 23 Q CA 0.085 55.862 55.803 -0.044 0.000 0.905 23 Q CB 0.195 28.935 28.738 0.003 0.000 1.195 23 Q HN 0.560 nan 8.270 nan 0.000 0.398 24 W N 5.545 126.819 121.300 -0.043 0.000 2.186 24 W HA 0.148 4.822 4.660 0.024 0.000 0.355 24 W C -1.719 174.803 176.519 0.005 0.000 1.293 24 W CA -0.963 56.391 57.345 0.015 0.000 1.316 24 W CB -0.466 29.052 29.460 0.097 0.000 1.212 24 W HN 0.584 nan 8.180 nan 0.000 0.610 25 P HA 0.400 nan 4.420 nan 0.000 0.286 25 P C -0.965 176.422 177.300 0.144 0.000 1.261 25 P CA -0.376 62.818 63.100 0.157 0.000 0.821 25 P CB 0.833 32.606 31.700 0.122 0.000 1.013 26 L N 0.727 121.991 121.223 0.068 0.000 2.371 26 L HA 0.530 4.884 4.340 0.024 0.000 0.262 26 L C 0.781 177.637 176.870 -0.024 0.000 1.006 26 L CA -0.951 53.896 54.840 0.011 0.000 0.818 26 L CB 2.163 44.211 42.059 -0.017 0.000 1.354 26 L HN 0.354 nan 8.230 nan 0.000 0.415 27 T N -2.722 111.797 114.554 -0.058 0.000 2.855 27 T HA 0.008 4.373 4.350 0.024 0.000 0.314 27 T C 1.065 175.728 174.700 -0.061 0.000 1.077 27 T CA 0.168 62.237 62.100 -0.051 0.000 1.095 27 T CB 0.717 69.551 68.868 -0.056 0.000 0.987 27 T HN 0.868 nan 8.240 nan 0.000 0.546 28 E N 0.668 120.849 120.200 -0.032 0.000 2.204 28 E HA -0.240 4.124 4.350 0.024 0.000 0.195 28 E C 1.738 178.316 176.600 -0.036 0.000 0.990 28 E CA 1.492 57.878 56.400 -0.025 0.000 0.821 28 E CB -0.267 29.431 29.700 -0.004 0.000 0.750 28 E HN 0.966 nan 8.360 nan 0.000 0.477 29 E N 1.318 121.493 120.200 -0.042 0.000 2.318 29 E HA -0.046 4.319 4.350 0.024 0.000 0.193 29 E C 1.871 178.347 176.600 -0.206 0.000 0.998 29 E CA 0.168 56.550 56.400 -0.029 0.000 0.859 29 E CB 0.050 29.803 29.700 0.088 0.000 0.812 29 E HN 0.133 nan 8.360 nan 0.000 0.492 30 K N 0.694 120.881 120.400 -0.355 0.000 2.116 30 K HA 0.052 4.387 4.320 0.024 0.000 0.203 30 K C 2.121 178.520 176.600 -0.335 0.000 1.052 30 K CA 1.007 56.915 56.287 -0.632 0.000 0.952 30 K CB -0.001 32.152 32.500 -0.577 0.000 0.729 30 K HN 0.188 nan 8.250 nan 0.000 0.446 31 I N 1.482 121.946 120.570 -0.177 0.000 2.179 31 I HA -0.311 3.874 4.170 0.024 0.000 0.242 31 I C 2.034 178.120 176.117 -0.052 0.000 1.088 31 I CA 1.449 62.699 61.300 -0.084 0.000 1.357 31 I CB -0.248 37.725 38.000 -0.044 0.000 1.051 31 I HN 0.107 nan 8.210 nan 0.000 0.409 32 K N 1.117 121.490 120.400 -0.045 0.000 2.032 32 K HA -0.170 4.165 4.320 0.024 0.000 0.209 32 K C 2.306 178.914 176.600 0.014 0.000 1.048 32 K CA 1.608 57.895 56.287 -0.001 0.000 0.927 32 K CB -0.384 32.126 32.500 0.017 0.000 0.712 32 K HN 0.319 nan 8.250 nan 0.000 0.441 33 A N 1.599 124.412 122.820 -0.012 0.000 1.883 33 A HA -0.179 4.156 4.320 0.024 0.000 0.217 33 A C 2.176 179.782 177.584 0.037 0.000 1.186 33 A CA 1.485 53.551 52.037 0.048 0.000 0.624 33 A CB -0.764 18.243 19.000 0.012 0.000 0.822 33 A HN 0.172 nan 8.150 nan 0.000 0.444 34 L N -0.723 120.495 121.223 -0.008 0.000 2.027 34 L HA -0.142 4.213 4.340 0.024 0.000 0.206 34 L C 2.539 179.452 176.870 0.073 0.000 1.074 34 L CA 1.031 55.888 54.840 0.028 0.000 0.745 34 L CB -0.741 41.328 42.059 0.016 0.000 0.898 34 L HN 0.238 nan 8.230 nan 0.000 0.433 35 V N 0.362 120.319 119.914 0.071 0.000 2.324 35 V HA -0.352 3.782 4.120 0.024 0.000 0.250 35 V C 2.576 178.722 176.094 0.087 0.000 1.060 35 V CA 2.310 64.671 62.300 0.100 0.000 1.042 35 V CB -0.558 31.303 31.823 0.064 0.000 0.650 35 V HN 0.574 nan 8.190 nan 0.000 0.450 36 E N -0.107 120.129 120.200 0.060 0.000 2.072 36 E HA -0.192 4.173 4.350 0.024 0.000 0.191 36 E C 2.234 178.851 176.600 0.030 0.000 0.985 36 E CA 1.512 57.940 56.400 0.047 0.000 0.801 36 E CB -0.129 29.600 29.700 0.049 0.000 0.750 36 E HN 0.628 nan 8.360 nan 0.000 0.452 37 I N 0.753 121.341 120.570 0.029 0.000 2.252 37 I HA -0.290 3.894 4.170 0.024 0.000 0.245 37 I C 2.484 178.576 176.117 -0.042 0.000 1.102 37 I CA 0.734 62.033 61.300 -0.002 0.000 1.385 37 I CB -0.293 37.712 38.000 0.007 0.000 1.064 37 I HN 0.309 nan 8.210 nan 0.000 0.414 38 C N 0.353 119.636 119.300 -0.029 0.000 2.437 38 C HA -0.090 4.385 4.460 0.024 0.000 0.283 38 C C 2.881 177.744 174.990 -0.212 0.000 1.424 38 C CA 1.017 59.935 59.018 -0.167 0.000 1.782 38 C CB -1.262 26.456 27.740 -0.037 0.000 1.833 38 C HN 0.518 nan 8.230 nan 0.000 0.532 39 T N 0.554 115.083 114.554 -0.042 0.000 2.809 39 T HA -0.118 4.247 4.350 0.024 0.000 0.260 39 T C 1.747 176.421 174.700 -0.042 0.000 1.039 39 T CA 1.576 63.673 62.100 -0.006 0.000 1.141 39 T CB -0.158 68.733 68.868 0.038 0.000 0.869 39 T HN 0.601 nan 8.240 nan 0.000 0.437 40 E N 1.558 121.732 120.200 -0.043 0.000 2.017 40 E HA -0.090 4.275 4.350 0.024 0.000 0.193 40 E C 2.173 178.732 176.600 -0.069 0.000 0.997 40 E CA 1.435 57.808 56.400 -0.044 0.000 0.804 40 E CB -0.404 29.272 29.700 -0.041 0.000 0.757 40 E HN 0.390 nan 8.360 nan 0.000 0.448 41 M N 0.295 119.834 119.600 -0.103 0.000 2.089 41 M HA -0.253 4.242 4.480 0.024 0.000 0.257 41 M C 2.459 178.688 176.300 -0.119 0.000 1.071 41 M CA 2.267 57.496 55.300 -0.117 0.000 1.096 41 M CB -0.492 32.016 32.600 -0.154 0.000 1.330 41 M HN 0.283 nan 8.290 nan 0.000 0.403 42 E N 0.796 120.891 120.200 -0.176 0.000 2.049 42 E HA -0.283 4.082 4.350 0.024 0.000 0.198 42 E C 1.957 178.526 176.600 -0.052 0.000 1.007 42 E CA 1.832 58.149 56.400 -0.139 0.000 0.809 42 E CB -0.099 29.532 29.700 -0.114 0.000 0.749 42 E HN 0.392 nan 8.360 nan 0.000 0.450 43 K N 0.505 120.883 120.400 -0.038 0.000 1.977 43 K HA -0.255 4.080 4.320 0.024 0.000 0.218 43 K C 2.003 178.597 176.600 -0.010 0.000 1.051 43 K CA 2.203 58.481 56.287 -0.014 0.000 0.953 43 K CB -0.218 32.275 32.500 -0.012 0.000 0.727 43 K HN 0.178 nan 8.250 nan 0.000 0.445 44 E N -1.018 119.173 120.200 -0.015 0.000 2.394 44 E HA -0.169 4.196 4.350 0.024 0.000 0.202 44 E C 1.032 177.642 176.600 0.016 0.000 1.029 44 E CA 0.673 57.072 56.400 -0.002 0.000 0.855 44 E CB -0.211 29.483 29.700 -0.011 0.000 0.770 44 E HN 0.756 nan 8.360 nan 0.000 0.527 45 G N 0.666 109.472 108.800 0.009 0.000 2.176 45 G HA2 -0.351 3.624 3.960 0.024 0.000 0.253 45 G HA3 -0.351 3.624 3.960 0.024 0.000 0.253 45 G C 0.884 175.814 174.900 0.049 0.000 0.979 45 G CA 0.645 45.761 45.100 0.026 0.000 0.641 45 G HN 0.212 nan 8.290 nan 0.000 0.530 46 K N 0.147 120.583 120.400 0.060 0.000 2.057 46 K HA 0.205 4.539 4.320 0.024 0.000 0.207 46 K C 1.597 178.258 176.600 0.103 0.000 1.049 46 K CA 1.625 57.996 56.287 0.141 0.000 0.931 46 K CB -0.067 32.559 32.500 0.209 0.000 0.714 46 K HN 0.861 nan 8.250 nan 0.000 0.440 47 I N -3.500 117.050 120.570 -0.034 0.000 2.797 47 I HA 0.454 4.638 4.170 0.024 0.000 0.307 47 I C -0.699 175.366 176.117 -0.087 0.000 1.033 47 I CA -0.909 60.316 61.300 -0.125 0.000 1.071 47 I CB 2.470 40.267 38.000 -0.338 0.000 1.255 47 I HN -0.315 nan 8.210 nan 0.000 0.445 48 S N 2.653 118.335 115.700 -0.029 0.000 2.500 48 S HA 0.386 4.870 4.470 0.024 0.000 0.301 48 S C -0.500 174.188 174.600 0.147 0.000 1.092 48 S CA -0.695 57.531 58.200 0.043 0.000 1.030 48 S CB 1.593 64.811 63.200 0.030 0.000 1.031 48 S HN 0.581 nan 8.310 nan 0.000 0.483 49 K N 2.195 122.717 120.400 0.202 0.000 2.412 49 K HA 0.397 4.732 4.320 0.024 0.000 0.281 49 K C -0.656 175.927 176.600 -0.028 0.000 1.027 49 K CA 0.185 56.552 56.287 0.132 0.000 0.989 49 K CB 0.270 32.816 32.500 0.077 0.000 0.935 49 K HN 0.435 nan 8.250 nan 0.000 0.475 50 I N 1.377 121.870 120.570 -0.129 0.000 3.334 50 I HA 0.680 4.865 4.170 0.024 0.000 0.316 50 I C -0.794 175.219 176.117 -0.174 0.000 1.251 50 I CA -0.163 61.065 61.300 -0.120 0.000 0.929 50 I CB 2.146 40.089 38.000 -0.094 0.000 1.317 50 I HN 0.713 nan 8.210 nan 0.000 0.479 55 P HA 0.070 nan 4.420 nan 0.000 0.217 55 P C -0.211 176.757 177.300 -0.553 0.000 1.151 55 P CA 1.087 63.821 63.100 -0.611 0.000 0.828 55 P CB 0.037 31.205 31.700 -0.886 0.000 0.788 56 Y N 0.157 120.428 120.300 -0.049 0.000 2.397 56 Y HA 0.336 4.901 4.550 0.025 0.000 0.335 56 Y C 1.083 176.985 175.900 0.003 0.000 1.213 56 Y CA -0.151 57.943 58.100 -0.009 0.000 1.391 56 Y CB -0.013 38.444 38.460 -0.006 0.000 1.293 56 Y HN -0.090 nan 8.280 nan 0.000 0.557 57 N N -0.165 118.637 118.700 0.169 0.000 2.504 57 N HA 0.347 5.102 4.740 0.024 0.000 0.268 57 N C -1.853 173.728 175.510 0.118 0.000 1.184 57 N CA -0.353 52.769 53.050 0.120 0.000 0.875 57 N CB 2.209 40.721 38.487 0.041 0.000 1.630 57 N HN 0.659 nan 8.380 nan 0.000 0.486 58 T N 2.402 117.023 114.554 0.112 0.000 2.876 58 T HA 0.532 4.896 4.350 0.024 0.000 0.289 58 T C -2.730 171.938 174.700 -0.052 0.000 1.014 58 T CA -0.990 61.115 62.100 0.009 0.000 0.986 58 T CB 2.248 71.060 68.868 -0.093 0.000 1.021 58 T HN 0.361 nan 8.240 nan 0.000 0.458 59 P HA 0.240 nan 4.420 nan 0.000 0.271 59 P C -0.641 176.379 177.300 -0.466 0.000 1.220 59 P CA -0.231 62.733 63.100 -0.226 0.000 0.768 59 P CB 1.002 32.612 31.700 -0.150 0.000 0.848 60 V N 5.128 124.793 119.914 -0.415 0.000 2.630 60 V HA 0.583 4.718 4.120 0.024 0.000 0.305 60 V C -0.748 175.028 176.094 -0.530 0.000 1.046 60 V CA -0.429 61.610 62.300 -0.435 0.000 0.934 60 V CB 0.858 32.548 31.823 -0.221 0.000 1.003 60 V HN 0.323 nan 8.190 nan 0.000 0.451 61 F N 2.938 122.844 119.950 -0.074 0.000 2.782 61 F HA 0.932 5.474 4.527 0.025 0.000 0.366 61 F C 0.296 176.027 175.800 -0.116 0.000 1.171 61 F CA -0.550 57.383 58.000 -0.111 0.000 1.064 61 F CB 1.716 40.644 39.000 -0.120 0.000 1.449 61 F HN 0.637 nan 8.300 nan 0.000 0.520 62 A N 1.211 124.100 122.820 0.115 0.000 2.497 62 A HA 0.720 5.054 4.320 0.024 0.000 0.280 62 A C -1.503 176.162 177.584 0.134 0.000 1.065 62 A CA -0.215 51.811 52.037 -0.018 0.000 0.781 62 A CB 0.308 19.069 19.000 -0.398 0.000 1.289 62 A HN 0.437 nan 8.150 nan 0.000 0.415 71 W N 2.764 124.059 121.300 -0.007 0.000 2.516 71 W HA 0.553 5.228 4.660 0.024 0.000 0.343 71 W C -0.019 176.496 176.519 -0.007 0.000 1.094 71 W CA -0.635 56.707 57.345 -0.005 0.000 1.250 71 W CB 1.588 31.049 29.460 0.002 0.000 1.308 71 W HN 0.393 nan 8.180 nan 0.000 0.588 72 R N 2.923 123.609 120.500 0.311 0.000 2.480 72 R HA 0.299 4.653 4.340 0.024 0.000 0.306 72 R C -0.360 176.039 176.300 0.165 0.000 0.958 72 R CA -0.818 55.383 56.100 0.167 0.000 0.861 72 R CB 0.970 31.333 30.300 0.104 0.000 1.171 72 R HN 0.580 nan 8.270 nan 0.000 0.445 73 K N 3.199 123.661 120.400 0.104 0.000 2.168 73 K HA 0.371 4.706 4.320 0.024 0.000 0.258 73 K C -1.155 175.498 176.600 0.089 0.000 1.010 73 K CA -0.639 55.693 56.287 0.074 0.000 0.929 73 K CB 1.050 33.559 32.500 0.015 0.000 0.998 73 K HN 0.342 nan 8.250 nan 0.000 0.479 74 L N 2.014 123.290 121.223 0.090 0.000 2.528 74 L HA 0.331 4.685 4.340 0.024 0.000 0.267 74 L C -1.846 175.054 176.870 0.050 0.000 0.961 74 L CA -0.512 54.405 54.840 0.129 0.000 0.866 74 L CB 2.189 44.375 42.059 0.211 0.000 1.248 74 L HN 0.582 nan 8.230 nan 0.000 0.404 75 V N 3.074 122.967 119.914 -0.035 0.000 2.435 75 V HA 0.443 4.578 4.120 0.024 0.000 0.290 75 V C -0.541 175.408 176.094 -0.242 0.000 1.030 75 V CA -0.555 61.581 62.300 -0.274 0.000 0.881 75 V CB 1.620 33.168 31.823 -0.459 0.000 0.983 75 V HN 0.699 nan 8.190 nan 0.000 0.445 76 D N 2.948 123.193 120.400 -0.259 0.000 2.428 76 D HA 0.330 4.985 4.640 0.024 0.000 0.221 76 D C 0.259 176.476 176.300 -0.138 0.000 1.123 76 D CA -0.174 53.794 54.000 -0.052 0.000 0.869 76 D CB 0.585 41.472 40.800 0.144 0.000 1.032 76 D HN 0.435 nan 8.370 nan 0.000 0.506 77 F N 2.186 122.240 119.950 0.174 0.000 2.765 77 F HA 0.070 4.611 4.527 0.024 0.000 0.302 77 F C 2.294 178.220 175.800 0.211 0.000 1.111 77 F CA -0.307 57.818 58.000 0.208 0.000 1.359 77 F CB 0.144 39.308 39.000 0.274 0.000 1.097 77 F HN 0.358 nan 8.300 nan 0.000 0.577 78 R N 0.443 121.128 120.500 0.308 0.000 2.178 78 R HA -0.252 4.103 4.340 0.024 0.000 0.257 78 R C 1.527 177.959 176.300 0.221 0.000 1.163 78 R CA 2.042 58.282 56.100 0.235 0.000 0.981 78 R CB -0.717 29.692 30.300 0.182 0.000 0.878 78 R HN 0.199 nan 8.270 nan 0.000 0.454 79 E N 0.711 121.045 120.200 0.222 0.000 2.051 79 E HA -0.092 4.272 4.350 0.024 0.000 0.189 79 E C 2.017 178.762 176.600 0.241 0.000 0.979 79 E CA 0.861 57.378 56.400 0.195 0.000 0.803 79 E CB -0.315 29.484 29.700 0.164 0.000 0.761 79 E HN 0.275 nan 8.360 nan 0.000 0.451 80 L N 2.470 123.895 121.223 0.336 0.000 1.990 80 L HA -0.234 4.121 4.340 0.024 0.000 0.213 80 L C 1.620 178.733 176.870 0.404 0.000 1.072 80 L CA 1.840 56.916 54.840 0.392 0.000 0.755 80 L CB -0.955 41.446 42.059 0.570 0.000 0.889 80 L HN 0.032 nan 8.230 nan 0.000 0.432 81 N N 0.321 119.274 118.700 0.422 0.000 2.036 81 N HA -0.245 4.510 4.740 0.024 0.000 0.195 81 N C 1.742 177.361 175.510 0.183 0.000 1.037 81 N CA 1.909 55.132 53.050 0.288 0.000 0.855 81 N CB -0.447 38.163 38.487 0.205 0.000 1.033 81 N HN 0.468 nan 8.380 nan 0.000 0.423 82 K N 0.514 121.010 120.400 0.160 0.000 2.218 82 K HA -0.104 4.231 4.320 0.024 0.000 0.205 82 K C 1.679 178.337 176.600 0.096 0.000 1.046 82 K CA 1.131 57.483 56.287 0.107 0.000 0.933 82 K CB -0.075 32.487 32.500 0.103 0.000 0.728 82 K HN 0.208 nan 8.250 nan 0.000 0.454 83 R N -0.155 120.424 120.500 0.131 0.000 2.312 83 R HA 0.077 4.432 4.340 0.024 0.000 0.205 83 R C 0.156 176.522 176.300 0.110 0.000 0.904 83 R CA 0.157 56.317 56.100 0.099 0.000 1.052 83 R CB 0.673 31.026 30.300 0.090 0.000 1.014 83 R HN -0.059 nan 8.270 nan 0.000 0.503 84 T N 2.409 117.068 114.554 0.176 0.000 2.869 84 T HA 0.061 4.426 4.350 0.024 0.000 0.295 84 T C 0.001 174.671 174.700 -0.049 0.000 0.987 84 T CA -0.542 61.674 62.100 0.194 0.000 1.109 84 T CB 1.197 70.285 68.868 0.368 0.000 0.932 84 T HN 0.257 nan 8.240 nan 0.000 0.518 85 Q N 2.849 122.543 119.800 -0.176 0.000 2.450 85 Q HA 0.009 4.363 4.340 0.024 0.000 0.294 85 Q C -0.653 174.964 176.000 -0.639 0.000 1.129 85 Q CA -0.004 55.575 55.803 -0.374 0.000 0.970 85 Q CB 0.446 28.919 28.738 -0.443 0.000 1.294 85 Q HN 0.449 nan 8.270 nan 0.000 0.453 86 D N 0.876 120.993 120.400 -0.471 0.000 2.313 86 D HA 0.303 4.958 4.640 0.024 0.000 0.247 86 D C -0.686 175.246 176.300 -0.614 0.000 1.094 86 D CA 0.112 53.874 54.000 -0.396 0.000 0.925 86 D CB 0.517 41.217 40.800 -0.166 0.000 1.188 86 D HN 0.380 nan 8.370 nan 0.000 0.430 87 F N -0.376 119.531 119.950 -0.071 0.000 2.712 87 F HA 0.311 4.853 4.527 0.024 0.000 0.367 87 F C 0.216 176.056 175.800 0.067 0.000 1.132 87 F CA -1.153 56.831 58.000 -0.028 0.000 1.066 87 F CB 1.058 39.988 39.000 -0.117 0.000 1.416 87 F HN 0.264 nan 8.300 nan 0.000 0.515 88 W N 3.139 124.529 121.300 0.150 0.000 2.433 88 W HA 0.247 4.922 4.660 0.024 0.000 0.331 88 W C -0.195 176.352 176.519 0.047 0.000 1.110 88 W CA -0.476 56.904 57.345 0.059 0.000 1.450 88 W CB 0.355 29.837 29.460 0.036 0.000 1.348 88 W HN 0.582 nan 8.180 nan 0.000 0.415 89 E N 2.886 122.749 120.200 -0.561 0.000 2.568 89 E HA -0.080 4.285 4.350 0.024 0.000 0.262 89 E C -0.054 176.271 176.600 -0.459 0.000 0.961 89 E CA 0.179 56.301 56.400 -0.463 0.000 0.945 89 E CB 0.799 30.240 29.700 -0.432 0.000 0.924 89 E HN 0.293 nan 8.360 nan 0.000 0.467 90 V N 4.382 124.160 119.914 -0.227 0.000 2.421 90 V HA -0.011 4.123 4.120 0.024 0.000 0.271 90 V C 0.316 176.352 176.094 -0.097 0.000 1.031 90 V CA -0.508 61.720 62.300 -0.121 0.000 1.032 90 V CB 0.602 32.388 31.823 -0.062 0.000 1.009 90 V HN 0.686 nan 8.190 nan 0.000 0.477 91 Q N 3.783 123.541 119.800 -0.070 0.000 2.398 91 Q HA -0.052 4.303 4.340 0.024 0.000 0.329 91 Q C 0.204 176.223 176.000 0.032 0.000 1.079 91 Q CA 0.610 56.395 55.803 -0.029 0.000 1.041 91 Q CB 0.500 29.254 28.738 0.027 0.000 1.084 91 Q HN 0.696 nan 8.270 nan 0.000 0.386 92 L N 3.221 124.448 121.223 0.006 0.000 2.567 92 L HA 0.334 4.689 4.340 0.024 0.000 0.225 92 L C 0.822 177.717 176.870 0.042 0.000 1.119 92 L CA 0.868 55.730 54.840 0.036 0.000 0.871 92 L CB 0.071 42.132 42.059 0.002 0.000 1.036 92 L HN 0.738 nan 8.230 nan 0.000 0.459 93 G N 1.422 110.241 108.800 0.032 0.000 2.350 93 G HA2 0.496 4.471 3.960 0.024 0.000 0.306 93 G HA3 0.496 4.471 3.960 0.024 0.000 0.306 93 G C -0.226 174.710 174.900 0.059 0.000 1.094 93 G CA -0.159 44.956 45.100 0.025 0.000 0.953 93 G HN 0.026 nan 8.290 nan 0.000 0.420 94 I N 0.896 121.511 120.570 0.075 0.000 2.957 94 I HA 0.693 4.878 4.170 0.024 0.000 0.310 94 I C -2.275 173.902 176.117 0.101 0.000 1.063 94 I CA -3.324 58.056 61.300 0.133 0.000 1.033 94 I CB 0.921 39.066 38.000 0.243 0.000 1.230 94 I HN 0.214 nan 8.210 nan 0.000 0.447 95 P HA -0.020 nan 4.420 nan 0.000 0.263 95 P C -1.059 176.318 177.300 0.128 0.000 1.168 95 P CA 0.678 63.750 63.100 -0.048 0.000 0.759 95 P CB 0.029 31.537 31.700 -0.320 0.000 0.782 96 H N 3.664 122.676 119.070 -0.097 0.000 2.511 96 H HA 0.264 4.834 4.556 0.024 0.000 0.328 96 H C -1.580 173.620 175.328 -0.212 0.000 1.044 96 H CA -1.853 54.128 56.048 -0.111 0.000 1.212 96 H CB 1.195 30.832 29.762 -0.208 0.000 1.428 96 H HN 0.175 nan 8.280 nan 0.000 0.483 97 P HA -0.386 nan 4.420 nan 0.000 0.224 97 P C 1.154 178.365 177.300 -0.149 0.000 1.153 97 P CA 2.971 65.792 63.100 -0.465 0.000 0.947 97 P CB -0.057 30.955 31.700 -1.147 0.000 0.790 98 A N -1.157 121.591 122.820 -0.121 0.000 2.104 98 A HA -0.165 4.169 4.320 0.024 0.000 0.223 98 A C 2.111 179.875 177.584 0.300 0.000 1.164 98 A CA 2.136 54.308 52.037 0.225 0.000 0.659 98 A CB -1.618 17.546 19.000 0.273 0.000 0.808 98 A HN 0.389 nan 8.150 nan 0.000 0.465 99 G N -1.499 107.284 108.800 -0.029 0.000 3.434 99 G HA2 0.469 4.443 3.960 0.024 0.000 0.258 99 G HA3 0.469 4.443 3.960 0.024 0.000 0.258 99 G C 0.234 175.194 174.900 0.101 0.000 1.128 99 G CA -0.361 44.638 45.100 -0.169 0.000 0.792 99 G HN 0.339 nan 8.290 nan 0.000 0.539 100 L N -0.397 120.934 121.223 0.181 0.000 2.400 100 L HA 0.567 4.922 4.340 0.024 0.000 0.264 100 L C 0.015 176.966 176.870 0.135 0.000 1.061 100 L CA -0.852 54.023 54.840 0.057 0.000 0.799 100 L CB 1.847 43.809 42.059 -0.162 0.000 1.240 100 L HN 0.029 nan 8.230 nan 0.000 0.461 101 E N 0.471 120.633 120.200 -0.062 0.000 2.212 101 E HA 0.222 4.586 4.350 0.024 0.000 0.270 101 E C -0.966 175.494 176.600 -0.233 0.000 0.956 101 E CA -0.754 55.616 56.400 -0.051 0.000 0.825 101 E CB 1.772 31.454 29.700 -0.030 0.000 1.167 101 E HN 0.262 nan 8.360 nan 0.000 0.400 102 K N 2.606 122.971 120.400 -0.059 0.000 2.368 102 K HA 0.113 4.448 4.320 0.024 0.000 0.282 102 K C -0.811 175.776 176.600 -0.022 0.000 1.035 102 K CA -0.171 56.112 56.287 -0.006 0.000 0.973 102 K CB 0.456 33.059 32.500 0.172 0.000 0.957 102 K HN 0.182 nan 8.250 nan 0.000 0.474 103 K N 3.595 123.984 120.400 -0.018 0.000 2.318 103 K HA 0.202 4.537 4.320 0.024 0.000 0.249 103 K C 0.195 176.824 176.600 0.048 0.000 0.942 103 K CA -0.699 55.599 56.287 0.020 0.000 0.808 103 K CB 1.700 34.212 32.500 0.020 0.000 1.189 103 K HN 0.524 nan 8.250 nan 0.000 0.428 104 K N 0.466 120.896 120.400 0.049 0.000 2.217 104 K HA 0.045 4.380 4.320 0.024 0.000 0.202 104 K C 0.140 176.737 176.600 -0.006 0.000 1.051 104 K CA 0.771 57.078 56.287 0.034 0.000 0.952 104 K CB 0.247 32.770 32.500 0.039 0.000 0.736 104 K HN 0.382 nan 8.250 nan 0.000 0.453 105 S N -0.404 115.277 115.700 -0.031 0.000 2.570 105 S HA 0.451 4.936 4.470 0.024 0.000 0.270 105 S C -1.401 173.183 174.600 -0.027 0.000 1.149 105 S CA -0.936 57.169 58.200 -0.159 0.000 0.837 105 S CB 2.708 65.519 63.200 -0.650 0.000 1.124 105 S HN -0.110 nan 8.310 nan 0.000 0.465 106 V N 1.642 121.585 119.914 0.048 0.000 2.653 106 V HA 0.527 4.662 4.120 0.024 0.000 0.298 106 V C -0.406 175.840 176.094 0.252 0.000 1.097 106 V CA -0.680 61.738 62.300 0.197 0.000 0.908 106 V CB 1.467 33.436 31.823 0.242 0.000 1.024 106 V HN 0.909 nan 8.190 nan 0.000 0.435 107 T N 3.056 117.735 114.554 0.209 0.000 2.937 107 T HA 0.831 5.196 4.350 0.024 0.000 0.283 107 T C -0.467 174.170 174.700 -0.105 0.000 1.012 107 T CA -0.726 61.453 62.100 0.132 0.000 0.997 107 T CB 2.211 71.181 68.868 0.169 0.000 1.136 107 T HN 0.502 nan 8.240 nan 0.000 0.551 108 V N 1.751 121.556 119.914 -0.182 0.000 2.623 108 V HA 0.449 4.584 4.120 0.024 0.000 0.304 108 V C -1.378 174.569 176.094 -0.245 0.000 1.054 108 V CA -0.851 61.185 62.300 -0.440 0.000 0.882 108 V CB 1.521 32.948 31.823 -0.661 0.000 1.002 108 V HN 0.568 nan 8.190 nan 0.000 0.424 109 L N 3.905 124.971 121.223 -0.262 0.000 2.301 109 L HA 0.438 4.793 4.340 0.024 0.000 0.278 109 L C 0.245 177.038 176.870 -0.128 0.000 1.022 109 L CA 0.164 54.920 54.840 -0.140 0.000 0.854 109 L CB 1.195 43.188 42.059 -0.109 0.000 1.226 109 L HN 0.681 nan 8.230 nan 0.000 0.429 110 D N 2.886 123.235 120.400 -0.084 0.000 2.342 110 D HA 0.037 4.691 4.640 0.024 0.000 0.260 110 D C 0.664 176.948 176.300 -0.026 0.000 1.278 110 D CA -0.017 53.947 54.000 -0.059 0.000 0.910 110 D CB 1.381 42.161 40.800 -0.033 0.000 1.079 110 D HN 0.357 nan 8.370 nan 0.000 0.496 111 V N 2.483 122.390 119.914 -0.011 0.000 3.189 111 V HA 0.325 4.459 4.120 0.024 0.000 0.366 111 V C 1.784 177.889 176.094 0.017 0.000 1.313 111 V CA 0.159 62.480 62.300 0.035 0.000 1.302 111 V CB 0.082 31.969 31.823 0.108 0.000 1.260 111 V HN 0.510 nan 8.190 nan 0.000 0.484 112 G N 2.360 111.146 108.800 -0.023 0.000 2.624 112 G HA2 -0.369 3.606 3.960 0.024 0.000 0.221 112 G HA3 -0.369 3.606 3.960 0.024 0.000 0.221 112 G C 0.825 175.717 174.900 -0.014 0.000 1.169 112 G CA 1.785 46.855 45.100 -0.051 0.000 0.771 112 G HN 0.691 nan 8.290 nan 0.000 0.598 113 D N 0.991 121.406 120.400 0.025 0.000 2.350 113 D HA 0.243 4.897 4.640 0.024 0.000 0.216 113 D C 2.427 178.804 176.300 0.128 0.000 0.968 113 D CA 0.782 54.829 54.000 0.078 0.000 0.894 113 D CB -0.209 40.615 40.800 0.040 0.000 0.909 113 D HN 0.407 nan 8.370 nan 0.000 0.520 114 A N 0.018 122.888 122.820 0.084 0.000 1.972 114 A HA -0.220 4.115 4.320 0.024 0.000 0.219 114 A C 1.849 179.422 177.584 -0.018 0.000 1.169 114 A CA 0.913 53.019 52.037 0.116 0.000 0.635 114 A CB -1.055 18.097 19.000 0.252 0.000 0.810 114 A HN 0.354 nan 8.150 nan 0.000 0.446 115 Y N -0.966 119.083 120.300 -0.418 0.000 2.014 115 Y HA -0.316 4.249 4.550 0.024 0.000 0.272 115 Y C 1.812 177.565 175.900 -0.245 0.000 1.164 115 Y CA 2.145 59.904 58.100 -0.570 0.000 1.114 115 Y CB -0.373 37.822 38.460 -0.441 0.000 0.961 115 Y HN 0.361 nan 8.280 nan 0.000 0.489 116 F N -1.274 118.699 119.950 0.038 0.000 2.805 116 F HA -0.078 4.464 4.527 0.024 0.000 0.301 116 F C 2.000 177.834 175.800 0.056 0.000 1.196 116 F CA 0.608 58.640 58.000 0.054 0.000 1.439 116 F CB -0.131 38.928 39.000 0.100 0.000 1.117 116 F HN -0.116 nan 8.300 nan 0.000 0.581 117 S N -0.521 115.293 115.700 0.190 0.000 2.577 117 S HA 0.186 4.670 4.470 0.024 0.000 0.219 117 S C 0.325 175.013 174.600 0.148 0.000 0.962 117 S CA -0.060 58.242 58.200 0.169 0.000 0.921 117 S CB 0.054 63.358 63.200 0.175 0.000 0.789 117 S HN -0.103 nan 8.310 nan 0.000 0.497 118 V N 4.514 124.494 119.914 0.109 0.000 2.448 118 V HA 0.408 4.543 4.120 0.024 0.000 0.295 118 V C -2.332 173.792 176.094 0.051 0.000 1.025 118 V CA -2.327 60.024 62.300 0.085 0.000 0.859 118 V CB 1.642 33.519 31.823 0.090 0.000 0.988 118 V HN 0.119 nan 8.190 nan 0.000 0.431 119 P HA 0.108 nan 4.420 nan 0.000 0.268 119 P C -0.832 176.489 177.300 0.036 0.000 1.204 119 P CA -0.204 62.932 63.100 0.060 0.000 0.768 119 P CB 1.400 33.142 31.700 0.069 0.000 0.842 120 L N 3.096 124.342 121.223 0.040 0.000 2.289 120 L HA 0.354 4.708 4.340 0.024 0.000 0.285 120 L C 0.090 176.995 176.870 0.058 0.000 1.049 120 L CA -0.512 54.341 54.840 0.022 0.000 0.804 120 L CB 0.377 42.436 42.059 -0.001 0.000 1.195 120 L HN 0.245 nan 8.230 nan 0.000 0.428 121 D N 3.357 123.795 120.400 0.062 0.000 2.659 121 D HA -0.120 4.535 4.640 0.024 0.000 0.275 121 D C 1.211 177.594 176.300 0.140 0.000 1.407 121 D CA 0.695 54.755 54.000 0.100 0.000 1.033 121 D CB 0.718 41.584 40.800 0.110 0.000 1.139 121 D HN 0.637 nan 8.370 nan 0.000 0.565 122 E N 2.855 123.118 120.200 0.105 0.000 2.197 122 E HA -0.340 4.024 4.350 0.024 0.000 0.205 122 E C 1.203 177.871 176.600 0.113 0.000 1.029 122 E CA 1.340 57.797 56.400 0.095 0.000 0.828 122 E CB -0.371 29.371 29.700 0.070 0.000 0.737 122 E HN 0.624 nan 8.360 nan 0.000 0.464 123 D N -0.600 119.884 120.400 0.140 0.000 2.265 123 D HA -0.116 4.539 4.640 0.024 0.000 0.208 123 D C 1.120 177.573 176.300 0.254 0.000 0.977 123 D CA 0.667 54.765 54.000 0.162 0.000 0.871 123 D CB -0.148 40.753 40.800 0.168 0.000 0.925 123 D HN 0.234 nan 8.370 nan 0.000 0.485 124 F N 0.469 120.488 119.950 0.115 0.000 2.720 124 F HA 0.203 4.744 4.527 0.025 0.000 0.301 124 F C 2.117 178.005 175.800 0.148 0.000 1.103 124 F CA -0.263 57.867 58.000 0.217 0.000 1.291 124 F CB 0.236 39.286 39.000 0.084 0.000 1.086 124 F HN -0.267 nan 8.300 nan 0.000 0.592 125 R N 1.199 121.789 120.500 0.150 0.000 2.103 125 R HA -0.224 4.131 4.340 0.024 0.000 0.242 125 R C 2.124 178.388 176.300 -0.061 0.000 1.142 125 R CA 2.141 58.278 56.100 0.062 0.000 0.960 125 R CB -0.593 29.748 30.300 0.069 0.000 0.858 125 R HN 0.351 nan 8.270 nan 0.000 0.439 126 K N 0.046 120.323 120.400 -0.205 0.000 2.107 126 K HA -0.251 4.084 4.320 0.024 0.000 0.211 126 K C 1.775 178.136 176.600 -0.398 0.000 1.049 126 K CA 2.078 58.169 56.287 -0.326 0.000 0.927 126 K CB -0.711 31.489 32.500 -0.499 0.000 0.714 126 K HN 0.268 nan 8.250 nan 0.000 0.452 127 Y N 2.471 122.544 120.300 -0.379 0.000 2.333 127 Y HA -0.150 4.414 4.550 0.025 0.000 0.290 127 Y C 2.861 178.710 175.900 -0.085 0.000 1.144 127 Y CA 1.564 59.391 58.100 -0.455 0.000 1.228 127 Y CB -0.929 36.976 38.460 -0.924 0.000 0.985 127 Y HN 0.358 nan 8.280 nan 0.000 0.542 128 T N -1.895 112.740 114.554 0.135 0.000 3.160 128 T HA 0.263 4.627 4.350 0.024 0.000 0.257 128 T C 1.005 175.996 174.700 0.484 0.000 1.147 128 T CA 0.144 62.502 62.100 0.431 0.000 1.064 128 T CB -0.751 68.396 68.868 0.466 0.000 0.949 128 T HN 0.267 nan 8.240 nan 0.000 0.526 129 A N 1.823 124.784 122.820 0.236 0.000 2.584 129 A HA 0.462 4.796 4.320 0.024 0.000 0.239 129 A C 0.109 177.815 177.584 0.203 0.000 1.043 129 A CA -0.227 51.876 52.037 0.110 0.000 0.756 129 A CB -0.763 18.265 19.000 0.047 0.000 0.963 129 A HN 0.758 nan 8.150 nan 0.000 0.511 130 F N 0.009 120.015 119.950 0.092 0.000 2.706 130 F HA 0.894 5.435 4.527 0.025 0.000 0.328 130 F C -0.254 175.557 175.800 0.019 0.000 1.123 130 F CA -0.568 57.457 58.000 0.042 0.000 0.978 130 F CB 1.527 40.547 39.000 0.035 0.000 1.404 130 F HN 0.500 nan 8.300 nan 0.000 0.497 131 T N 1.759 116.492 114.554 0.298 0.000 3.071 131 T HA 0.497 4.861 4.350 0.024 0.000 0.311 131 T C -1.392 173.410 174.700 0.169 0.000 1.042 131 T CA -0.593 61.579 62.100 0.120 0.000 1.028 131 T CB 0.708 69.578 68.868 0.003 0.000 1.068 131 T HN 0.641 nan 8.240 nan 0.000 0.451 132 I N 7.127 127.781 120.570 0.140 0.000 2.505 132 I HA 0.255 4.440 4.170 0.024 0.000 0.287 132 I C -1.686 174.453 176.117 0.037 0.000 1.104 132 I CA -2.069 59.299 61.300 0.113 0.000 1.387 132 I CB 0.545 38.617 38.000 0.120 0.000 1.404 132 I HN 0.525 nan 8.210 nan 0.000 0.528 133 P HA 0.102 nan 4.420 nan 0.000 0.291 133 P C -0.274 177.027 177.300 0.001 0.000 1.287 133 P CA -0.189 62.920 63.100 0.016 0.000 0.767 133 P CB 0.590 32.309 31.700 0.030 0.000 1.290 134 S N -2.127 113.573 115.700 -0.000 0.000 2.607 134 S HA 0.405 4.890 4.470 0.024 0.000 0.273 134 S C 0.919 175.517 174.600 -0.002 0.000 1.148 134 S CA -0.660 57.536 58.200 -0.006 0.000 0.833 134 S CB 0.328 63.520 63.200 -0.013 0.000 1.130 134 S HN 0.230 nan 8.310 nan 0.000 0.470 135 I N 1.804 122.372 120.570 -0.004 0.000 2.353 135 I HA 0.005 4.190 4.170 0.024 0.000 0.248 135 I C 1.239 177.355 176.117 -0.000 0.000 1.119 135 I CA 0.686 61.985 61.300 -0.001 0.000 1.417 135 I CB -0.165 37.834 38.000 -0.002 0.000 1.078 135 I HN 0.586 nan 8.210 nan 0.000 0.421 136 N N 2.566 121.264 118.700 -0.004 0.000 2.605 136 N HA -0.012 4.743 4.740 0.024 0.000 0.258 136 N C 0.714 176.220 175.510 -0.007 0.000 1.156 136 N CA -0.183 52.864 53.050 -0.006 0.000 1.008 136 N CB 0.178 38.659 38.487 -0.010 0.000 1.354 136 N HN 0.206 nan 8.380 nan 0.000 0.509 137 N N 1.793 120.491 118.700 -0.003 0.000 2.313 137 N HA -0.251 4.504 4.740 0.024 0.000 0.196 137 N C 0.790 176.293 175.510 -0.011 0.000 0.995 137 N CA 1.223 54.271 53.050 -0.003 0.000 0.899 137 N CB 0.133 38.619 38.487 -0.001 0.000 0.977 137 N HN 0.672 nan 8.380 nan 0.000 0.451 138 E N 0.773 120.965 120.200 -0.013 0.000 2.022 138 E HA -0.008 4.357 4.350 0.024 0.000 0.190 138 E C 0.691 177.276 176.600 -0.024 0.000 0.973 138 E CA 0.382 56.771 56.400 -0.018 0.000 0.816 138 E CB -0.936 28.754 29.700 -0.017 0.000 0.781 138 E HN 0.470 nan 8.360 nan 0.000 0.456 139 T N 1.500 116.040 114.554 -0.023 0.000 2.870 139 T HA -0.059 4.305 4.350 0.024 0.000 0.311 139 T C -2.383 172.294 174.700 -0.038 0.000 1.052 139 T CA -0.802 61.280 62.100 -0.029 0.000 1.131 139 T CB -0.461 68.392 68.868 -0.027 0.000 1.082 139 T HN -0.162 nan 8.240 nan 0.000 0.511 140 P HA 0.310 nan 4.420 nan 0.000 0.265 140 P C 0.742 177.999 177.300 -0.071 0.000 1.222 140 P CA 0.081 63.144 63.100 -0.061 0.000 0.767 140 P CB 0.137 31.798 31.700 -0.066 0.000 0.801 141 G N 4.049 112.805 108.800 -0.073 0.000 2.614 141 G HA2 0.198 4.173 3.960 0.024 0.000 0.239 141 G HA3 0.198 4.173 3.960 0.024 0.000 0.239 141 G C -0.085 174.735 174.900 -0.132 0.000 1.240 141 G CA -0.534 44.519 45.100 -0.078 0.000 0.842 141 G HN 0.413 nan 8.290 nan 0.000 0.584 142 I N 1.472 121.952 120.570 -0.151 0.000 2.363 142 I HA 0.173 4.358 4.170 0.024 0.000 0.292 142 I C 0.738 176.595 176.117 -0.432 0.000 1.075 142 I CA 0.112 61.234 61.300 -0.296 0.000 1.333 142 I CB 0.150 38.004 38.000 -0.243 0.000 1.415 142 I HN 0.303 nan 8.210 nan 0.000 0.502 143 R N 6.637 126.830 120.500 -0.512 0.000 2.312 143 R HA 0.604 4.959 4.340 0.024 0.000 0.311 143 R C -1.102 174.779 176.300 -0.698 0.000 1.004 143 R CA -0.459 55.344 56.100 -0.494 0.000 0.902 143 R CB 1.554 31.673 30.300 -0.302 0.000 1.073 143 R HN 0.476 nan 8.270 nan 0.000 0.457 144 Y N 0.121 120.057 120.300 -0.606 0.000 2.715 144 Y HA 0.273 4.838 4.550 0.025 0.000 0.331 144 Y C -0.224 175.204 175.900 -0.788 0.000 1.197 144 Y CA -1.060 56.603 58.100 -0.729 0.000 1.079 144 Y CB 2.473 40.361 38.460 -0.953 0.000 1.298 144 Y HN 0.492 nan 8.280 nan 0.000 0.477 145 Q N -0.706 118.920 119.800 -0.290 0.000 2.522 145 Q HA 0.463 4.818 4.340 0.024 0.000 0.285 145 Q C -2.327 173.694 176.000 0.035 0.000 0.982 145 Q CA -1.125 54.640 55.803 -0.063 0.000 0.805 145 Q CB 1.892 30.625 28.738 -0.007 0.000 1.457 145 Q HN 0.573 nan 8.270 nan 0.000 0.394 146 Y N 1.219 121.638 120.300 0.199 0.000 2.299 146 Y HA 0.302 4.867 4.550 0.025 0.000 0.326 146 Y C 0.861 176.812 175.900 0.084 0.000 1.164 146 Y CA 0.040 58.243 58.100 0.173 0.000 1.234 146 Y CB 1.066 39.629 38.460 0.171 0.000 1.219 146 Y HN 0.710 nan 8.280 nan 0.000 0.497 147 N N 0.853 119.709 118.700 0.260 0.000 2.294 147 N HA 0.063 4.817 4.740 0.024 0.000 0.186 147 N C -0.204 175.393 175.510 0.146 0.000 1.107 147 N CA 0.476 53.622 53.050 0.159 0.000 0.884 147 N CB 0.821 39.378 38.487 0.117 0.000 1.030 147 N HN 0.395 nan 8.380 nan 0.000 0.482 148 V N -1.706 118.326 119.914 0.197 0.000 3.181 148 V HA 0.528 4.663 4.120 0.024 0.000 0.314 148 V C -0.017 176.049 176.094 -0.048 0.000 1.173 148 V CA -1.191 61.167 62.300 0.096 0.000 1.052 148 V CB 1.015 32.927 31.823 0.149 0.000 1.123 148 V HN -0.248 nan 8.190 nan 0.000 0.454 149 L N 2.507 123.612 121.223 -0.197 0.000 2.562 149 L HA 0.338 4.692 4.340 0.024 0.000 0.271 149 L C -2.244 174.252 176.870 -0.623 0.000 1.167 149 L CA -0.745 53.876 54.840 -0.366 0.000 0.917 149 L CB -0.799 40.980 42.059 -0.467 0.000 1.187 149 L HN 0.532 nan 8.230 nan 0.000 0.482 150 P HA 0.007 nan 4.420 nan 0.000 0.267 150 P C -0.438 176.567 177.300 -0.492 0.000 1.209 150 P CA -0.391 62.155 63.100 -0.924 0.000 0.763 150 P CB 0.401 31.390 31.700 -1.186 0.000 0.816 151 Q N 2.833 122.383 119.800 -0.417 0.000 2.239 151 Q HA 0.150 4.505 4.340 0.024 0.000 0.286 151 Q C 1.298 177.389 176.000 0.151 0.000 1.102 151 Q CA 1.593 57.389 55.803 -0.013 0.000 0.936 151 Q CB -0.598 28.292 28.738 0.254 0.000 1.127 151 Q HN 0.866 nan 8.270 nan 0.000 0.380 152 G N 3.706 112.606 108.800 0.166 0.000 2.134 152 G HA2 -0.252 3.722 3.960 0.024 0.000 0.209 152 G HA3 -0.252 3.722 3.960 0.024 0.000 0.209 152 G C -0.669 174.366 174.900 0.224 0.000 0.993 152 G CA 0.009 45.229 45.100 0.201 0.000 0.669 152 G HN 0.572 nan 8.290 nan 0.000 0.519 153 W N 1.444 122.646 121.300 -0.164 0.000 2.478 153 W HA 0.669 5.344 4.660 0.025 0.000 0.318 153 W C 1.144 177.554 176.519 -0.181 0.000 1.062 153 W CA -1.029 56.144 57.345 -0.287 0.000 1.210 153 W CB 1.034 30.107 29.460 -0.645 0.000 1.325 153 W HN 0.067 nan 8.180 nan 0.000 0.496 154 K N 2.631 122.456 120.400 -0.958 0.000 2.108 154 K HA -0.286 4.049 4.320 0.024 0.000 0.219 154 K C 1.795 177.738 176.600 -1.094 0.000 1.054 154 K CA 2.628 58.413 56.287 -0.838 0.000 0.945 154 K CB -0.680 31.473 32.500 -0.579 0.000 0.728 154 K HN 0.811 nan 8.250 nan 0.000 0.462 155 G N -0.494 107.008 108.800 -2.162 0.000 2.403 155 G HA2 -0.173 3.802 3.960 0.024 0.000 0.216 155 G HA3 -0.173 3.802 3.960 0.024 0.000 0.216 155 G C 1.375 175.626 174.900 -1.082 0.000 1.154 155 G CA 0.783 44.645 45.100 -2.063 0.000 0.784 155 G HN 0.331 nan 8.290 nan 0.000 0.538 156 S N 2.039 117.335 115.700 -0.674 0.000 2.427 156 S HA -0.205 4.280 4.470 0.024 0.000 0.261 156 S C 0.318 174.681 174.600 -0.396 0.000 1.091 156 S CA 2.193 60.114 58.200 -0.465 0.000 1.251 156 S CB -1.234 61.732 63.200 -0.390 0.000 1.160 156 S HN 0.338 nan 8.310 nan 0.000 0.436 157 P HA -0.178 nan 4.420 nan 0.000 0.214 157 P C 1.553 178.795 177.300 -0.097 0.000 1.169 157 P CA 1.874 64.951 63.100 -0.039 0.000 0.908 157 P CB -0.271 31.387 31.700 -0.069 0.000 0.791 158 A N -0.755 121.914 122.820 -0.251 0.000 1.849 158 A HA -0.266 4.069 4.320 0.024 0.000 0.216 158 A C 2.157 179.619 177.584 -0.203 0.000 1.225 158 A CA 2.348 54.241 52.037 -0.241 0.000 0.653 158 A CB -1.807 16.950 19.000 -0.405 0.000 0.844 158 A HN 0.071 nan 8.150 nan 0.000 0.453 159 I N -1.566 118.815 120.570 -0.314 0.000 2.151 159 I HA -0.370 3.815 4.170 0.024 0.000 0.236 159 I C 2.299 178.335 176.117 -0.135 0.000 1.000 159 I CA 2.572 63.742 61.300 -0.216 0.000 1.285 159 I CB -0.618 37.239 38.000 -0.239 0.000 0.994 159 I HN 0.529 nan 8.210 nan 0.000 0.396 160 F N 0.706 120.499 119.950 -0.262 0.000 2.085 160 F HA -0.402 4.140 4.527 0.024 0.000 0.299 160 F C 2.729 178.451 175.800 -0.130 0.000 1.096 160 F CA 2.440 60.314 58.000 -0.209 0.000 1.227 160 F CB -0.412 38.435 39.000 -0.255 0.000 0.983 160 F HN 0.193 nan 8.300 nan 0.000 0.482 161 Q N -0.029 119.635 119.800 -0.227 0.000 1.975 161 Q HA -0.278 4.077 4.340 0.024 0.000 0.205 161 Q C 2.476 178.300 176.000 -0.293 0.000 0.990 161 Q CA 2.366 57.998 55.803 -0.285 0.000 0.845 161 Q CB -0.650 28.041 28.738 -0.078 0.000 0.913 161 Q HN 0.508 nan 8.270 nan 0.000 0.420 162 S N -0.092 115.501 115.700 -0.179 0.000 2.378 162 S HA -0.246 4.239 4.470 0.024 0.000 0.229 162 S C 2.061 176.532 174.600 -0.215 0.000 1.052 162 S CA 2.210 60.322 58.200 -0.146 0.000 1.084 162 S CB -0.575 62.569 63.200 -0.092 0.000 0.950 162 S HN 0.569 nan 8.310 nan 0.000 0.440 163 S N 1.707 117.252 115.700 -0.257 0.000 2.377 163 S HA -0.247 4.237 4.470 0.024 0.000 0.224 163 S C 1.863 176.237 174.600 -0.378 0.000 1.042 163 S CA 1.978 60.007 58.200 -0.286 0.000 1.086 163 S CB -0.789 62.252 63.200 -0.264 0.000 0.995 163 S HN 0.654 nan 8.310 nan 0.000 0.428 164 M N 2.238 121.524 119.600 -0.524 0.000 2.113 164 M HA -0.182 4.312 4.480 0.024 0.000 0.255 164 M C 1.949 178.046 176.300 -0.339 0.000 1.073 164 M CA 2.069 57.065 55.300 -0.507 0.000 1.091 164 M CB -1.744 30.469 32.600 -0.645 0.000 1.309 164 M HN 0.318 nan 8.290 nan 0.000 0.407 165 T N 0.194 114.589 114.554 -0.265 0.000 2.665 165 T HA -0.243 4.122 4.350 0.024 0.000 0.268 165 T C 1.895 176.497 174.700 -0.162 0.000 1.035 165 T CA 2.094 64.096 62.100 -0.163 0.000 1.151 165 T CB -0.374 68.431 68.868 -0.105 0.000 0.862 165 T HN 0.485 nan 8.240 nan 0.000 0.438 166 K N 0.368 120.647 120.400 -0.202 0.000 2.097 166 K HA 0.062 4.397 4.320 0.024 0.000 0.205 166 K C 2.212 178.643 176.600 -0.282 0.000 1.050 166 K CA 0.903 57.069 56.287 -0.202 0.000 0.938 166 K CB -0.231 32.145 32.500 -0.207 0.000 0.718 166 K HN 0.340 nan 8.250 nan 0.000 0.442 167 I N 0.965 121.273 120.570 -0.436 0.000 2.454 167 I HA -0.269 3.916 4.170 0.024 0.000 0.254 167 I C 1.741 177.704 176.117 -0.257 0.000 1.156 167 I CA 1.068 61.993 61.300 -0.625 0.000 1.433 167 I CB -0.127 37.376 38.000 -0.828 0.000 1.082 167 I HN 0.187 nan 8.210 nan 0.000 0.432 168 L N 0.023 121.155 121.223 -0.151 0.000 2.307 168 L HA -0.066 4.288 4.340 0.024 0.000 0.211 168 L C 2.422 179.355 176.870 0.104 0.000 1.099 168 L CA 0.453 55.302 54.840 0.016 0.000 0.816 168 L CB -0.559 41.479 42.059 -0.034 0.000 0.952 168 L HN 0.239 nan 8.230 nan 0.000 0.455 169 E N 1.138 121.353 120.200 0.024 0.000 2.149 169 E HA -0.283 4.082 4.350 0.024 0.000 0.215 169 E C -0.644 176.007 176.600 0.085 0.000 1.055 169 E CA 2.327 58.749 56.400 0.037 0.000 0.870 169 E CB -0.744 28.954 29.700 -0.003 0.000 0.764 169 E HN 0.292 nan 8.360 nan 0.000 0.463 170 P HA -0.165 nan 4.420 nan 0.000 0.205 170 P C 1.242 178.615 177.300 0.122 0.000 1.193 170 P CA 1.446 64.618 63.100 0.121 0.000 0.929 170 P CB -0.399 31.407 31.700 0.177 0.000 0.772 171 F N 0.337 120.303 119.950 0.026 0.000 2.106 171 F HA -0.329 4.212 4.527 0.024 0.000 0.299 171 F C 2.380 178.187 175.800 0.011 0.000 1.082 171 F CA 1.730 59.734 58.000 0.008 0.000 1.244 171 F CB -0.323 38.750 39.000 0.122 0.000 0.997 171 F HN -0.260 nan 8.300 nan 0.000 0.486 172 R N 0.308 120.987 120.500 0.297 0.000 2.073 172 R HA -0.162 4.193 4.340 0.024 0.000 0.234 172 R C 2.278 178.587 176.300 0.015 0.000 1.134 172 R CA 2.025 58.227 56.100 0.170 0.000 0.952 172 R CB -0.264 30.123 30.300 0.145 0.000 0.850 172 R HN 0.267 nan 8.270 nan 0.000 0.433 173 K N 0.217 120.624 120.400 0.013 0.000 2.063 173 K HA -0.223 4.112 4.320 0.024 0.000 0.208 173 K C 2.107 178.662 176.600 -0.075 0.000 1.048 173 K CA 1.731 58.006 56.287 -0.021 0.000 0.928 173 K CB -0.072 32.425 32.500 -0.005 0.000 0.713 173 K HN 0.330 nan 8.250 nan 0.000 0.442 174 Q N 0.176 119.896 119.800 -0.133 0.000 2.369 174 Q HA -0.011 4.344 4.340 0.024 0.000 0.206 174 Q C -0.021 175.820 176.000 -0.265 0.000 0.963 174 Q CA 0.574 56.256 55.803 -0.202 0.000 0.894 174 Q CB 0.180 28.755 28.738 -0.272 0.000 0.965 174 Q HN 0.252 nan 8.270 nan 0.000 0.475 175 N N 0.671 119.193 118.700 -0.297 0.000 2.750 175 N HA 0.119 4.874 4.740 0.024 0.000 0.253 175 N C -2.278 173.163 175.510 -0.116 0.000 1.408 175 N CA -0.874 52.017 53.050 -0.264 0.000 0.780 175 N CB 1.404 39.602 38.487 -0.482 0.000 1.191 175 N HN 0.050 nan 8.380 nan 0.000 0.511 176 P HA -0.056 nan 4.420 nan 0.000 0.225 176 P C 0.018 177.309 177.300 -0.014 0.000 1.148 176 P CA 1.075 64.156 63.100 -0.030 0.000 0.779 176 P CB 0.555 32.236 31.700 -0.031 0.000 0.780 177 D N -0.074 120.312 120.400 -0.023 0.000 2.427 177 D HA 0.246 4.901 4.640 0.024 0.000 0.224 177 D C 0.390 176.700 176.300 0.017 0.000 1.157 177 D CA 0.095 54.094 54.000 -0.003 0.000 0.828 177 D CB 0.465 41.261 40.800 -0.007 0.000 0.974 177 D HN 0.310 nan 8.370 nan 0.000 0.498 178 I N 1.046 121.633 120.570 0.029 0.000 2.439 178 I HA 0.138 4.322 4.170 0.024 0.000 0.285 178 I C -0.303 175.877 176.117 0.105 0.000 1.021 178 I CA -0.743 60.601 61.300 0.073 0.000 1.091 178 I CB 2.660 40.725 38.000 0.109 0.000 1.242 178 I HN -0.375 nan 8.210 nan 0.000 0.439 179 V N 7.497 127.466 119.914 0.092 0.000 2.461 179 V HA 0.410 4.545 4.120 0.024 0.000 0.275 179 V C 0.144 176.303 176.094 0.108 0.000 1.047 179 V CA -0.151 62.202 62.300 0.087 0.000 0.955 179 V CB 1.410 33.266 31.823 0.055 0.000 0.988 179 V HN 0.462 nan 8.190 nan 0.000 0.471 180 I N 5.414 126.053 120.570 0.116 0.000 2.465 180 I HA 0.434 4.619 4.170 0.024 0.000 0.291 180 I C -1.136 175.100 176.117 0.199 0.000 1.014 180 I CA -0.659 60.711 61.300 0.116 0.000 1.093 180 I CB 1.903 39.941 38.000 0.063 0.000 1.267 180 I HN 0.625 nan 8.210 nan 0.000 0.431 181 Y N 6.787 127.119 120.300 0.053 0.000 2.332 181 Y HA 0.331 4.896 4.550 0.025 0.000 0.326 181 Y C -0.621 175.377 175.900 0.163 0.000 0.978 181 Y CA -0.921 57.230 58.100 0.085 0.000 1.205 181 Y CB 1.244 39.727 38.460 0.039 0.000 1.131 181 Y HN 0.542 nan 8.280 nan 0.000 0.462 182 Q N 6.415 126.162 119.800 -0.089 0.000 2.331 182 Q HA 0.258 4.613 4.340 0.024 0.000 0.257 182 Q C -2.048 173.769 176.000 -0.305 0.000 0.957 182 Q CA -0.708 54.971 55.803 -0.205 0.000 0.923 182 Q CB 1.955 30.653 28.738 -0.066 0.000 1.212 182 Q HN 0.788 nan 8.270 nan 0.000 0.443 183 Y N 4.599 124.673 120.300 -0.377 0.000 2.386 183 Y HA 0.393 4.958 4.550 0.025 0.000 0.334 183 Y C 0.017 175.929 175.900 0.020 0.000 1.002 183 Y CA -0.821 57.190 58.100 -0.149 0.000 1.068 183 Y CB 1.469 39.882 38.460 -0.079 0.000 1.203 183 Y HN 0.987 nan 8.280 nan 0.000 0.443 184 M N 2.776 121.974 119.600 -0.670 0.000 7.319 184 M HA -0.369 4.126 4.480 0.024 0.000 0.313 184 M C -0.885 175.317 176.300 -0.164 0.000 0.480 184 M CA 2.559 57.538 55.300 -0.536 0.000 1.311 184 M CB -0.896 31.262 32.600 -0.738 0.000 0.421 184 M HN 0.852 nan 8.290 nan 0.000 0.747 185 D N 1.027 121.337 120.400 -0.150 0.000 3.163 185 D HA 0.439 5.093 4.640 0.024 0.000 0.284 185 D C -1.327 174.944 176.300 -0.048 0.000 1.368 185 D CA -0.087 53.882 54.000 -0.052 0.000 0.895 185 D CB 0.136 40.847 40.800 -0.149 0.000 1.061 185 D HN 0.311 nan 8.370 nan 0.000 0.496 186 D N -0.054 120.309 120.400 -0.062 0.000 2.552 186 D HA 0.515 5.170 4.640 0.024 0.000 0.239 186 D C -0.933 175.230 176.300 -0.228 0.000 1.139 186 D CA -0.522 53.372 54.000 -0.176 0.000 0.914 186 D CB 1.936 42.622 40.800 -0.191 0.000 1.461 186 D HN -0.086 nan 8.370 nan 0.000 0.462 187 L N 2.120 123.109 121.223 -0.390 0.000 2.568 187 L HA 0.309 4.664 4.340 0.024 0.000 0.262 187 L C -1.346 175.273 176.870 -0.418 0.000 0.980 187 L CA -0.674 53.988 54.840 -0.297 0.000 0.882 187 L CB 1.111 43.056 42.059 -0.189 0.000 1.198 187 L HN 0.391 nan 8.230 nan 0.000 0.425 188 Y N 3.030 123.229 120.300 -0.167 0.000 2.556 188 Y HA 0.281 4.846 4.550 0.025 0.000 0.352 188 Y C 0.326 176.198 175.900 -0.047 0.000 1.006 188 Y CA -0.553 57.456 58.100 -0.151 0.000 1.277 188 Y CB 0.810 39.168 38.460 -0.171 0.000 1.136 188 Y HN 0.150 nan 8.280 nan 0.000 0.523 189 V N 3.578 123.517 119.914 0.042 0.000 2.350 189 V HA 0.763 4.897 4.120 0.024 0.000 0.276 189 V C 0.519 176.713 176.094 0.167 0.000 1.028 189 V CA -0.575 61.772 62.300 0.077 0.000 0.860 189 V CB 0.853 32.684 31.823 0.013 0.000 0.990 189 V HN 0.866 nan 8.190 nan 0.000 0.453 190 G N 2.879 111.782 108.800 0.173 0.000 2.816 190 G HA2 0.897 4.871 3.960 0.024 0.000 0.288 190 G HA3 0.897 4.871 3.960 0.024 0.000 0.288 190 G C -0.645 174.398 174.900 0.238 0.000 1.334 190 G CA -0.031 45.213 45.100 0.241 0.000 0.978 190 G HN 1.234 nan 8.290 nan 0.000 0.493 191 S N -1.697 114.160 115.700 0.261 0.000 2.690 191 S HA 0.326 4.810 4.470 0.024 0.000 0.264 191 S C -1.727 172.974 174.600 0.168 0.000 1.040 191 S CA -0.489 57.829 58.200 0.196 0.000 0.869 191 S CB 1.300 64.618 63.200 0.196 0.000 1.132 191 S HN 0.372 nan 8.310 nan 0.000 0.474 192 D N 0.904 121.377 120.400 0.122 0.000 2.593 192 D HA 0.376 5.031 4.640 0.024 0.000 0.241 192 D C 0.132 176.484 176.300 0.088 0.000 1.257 192 D CA 0.001 54.053 54.000 0.087 0.000 0.828 192 D CB 0.215 41.046 40.800 0.050 0.000 1.049 192 D HN 0.425 nan 8.370 nan 0.000 0.490 193 L N 0.281 121.583 121.223 0.133 0.000 2.469 193 L HA 0.281 4.635 4.340 0.024 0.000 0.253 193 L C 0.961 177.900 176.870 0.114 0.000 1.143 193 L CA -0.776 54.130 54.840 0.110 0.000 0.804 193 L CB 0.728 42.854 42.059 0.111 0.000 1.214 193 L HN -0.253 nan 8.230 nan 0.000 0.476 194 E N 1.021 121.274 120.200 0.088 0.000 2.331 194 E HA 0.105 4.469 4.350 0.024 0.000 0.272 194 E C 1.150 177.809 176.600 0.098 0.000 1.036 194 E CA -0.207 56.237 56.400 0.073 0.000 0.864 194 E CB 1.277 31.007 29.700 0.049 0.000 1.035 194 E HN 0.545 nan 8.360 nan 0.000 0.408 195 I N -0.079 120.532 120.570 0.069 0.000 2.210 195 I HA -0.347 3.838 4.170 0.024 0.000 0.249 195 I C 1.560 177.741 176.117 0.106 0.000 1.047 195 I CA 2.280 63.621 61.300 0.069 0.000 1.323 195 I CB -0.797 37.221 38.000 0.029 0.000 1.017 195 I HN 0.470 nan 8.210 nan 0.000 0.427 196 G N 0.256 109.106 108.800 0.082 0.000 2.394 196 G HA2 -0.142 3.833 3.960 0.024 0.000 0.214 196 G HA3 -0.142 3.833 3.960 0.024 0.000 0.214 196 G C 1.565 176.520 174.900 0.092 0.000 1.176 196 G CA 0.513 45.659 45.100 0.077 0.000 0.786 196 G HN 0.519 nan 8.290 nan 0.000 0.533 197 Q N 0.056 119.909 119.800 0.088 0.000 2.045 197 Q HA -0.226 4.129 4.340 0.024 0.000 0.206 197 Q C 2.163 178.225 176.000 0.103 0.000 0.991 197 Q CA 1.912 57.761 55.803 0.077 0.000 0.851 197 Q CB -0.596 28.183 28.738 0.068 0.000 0.911 197 Q HN 0.726 nan 8.270 nan 0.000 0.418 198 H N 0.878 119.979 119.070 0.051 0.000 2.253 198 H HA -0.119 4.452 4.556 0.024 0.000 0.296 198 H C 2.395 177.767 175.328 0.072 0.000 1.074 198 H CA 2.351 58.439 56.048 0.066 0.000 1.263 198 H CB 0.003 29.804 29.762 0.064 0.000 1.363 198 H HN 0.078 nan 8.280 nan 0.000 0.489 199 R N -0.161 120.504 120.500 0.275 0.000 2.133 199 R HA -0.195 4.160 4.340 0.024 0.000 0.245 199 R C 2.015 178.383 176.300 0.113 0.000 1.137 199 R CA 2.434 58.644 56.100 0.184 0.000 0.947 199 R CB -0.884 29.493 30.300 0.128 0.000 0.865 199 R HN 0.454 nan 8.270 nan 0.000 0.437 200 T N 1.630 116.239 114.554 0.091 0.000 2.665 200 T HA -0.125 4.239 4.350 0.024 0.000 0.268 200 T C 1.810 176.553 174.700 0.072 0.000 1.035 200 T CA 1.498 63.640 62.100 0.069 0.000 1.151 200 T CB -0.114 68.787 68.868 0.055 0.000 0.862 200 T HN 0.219 nan 8.240 nan 0.000 0.438 201 K N 0.789 121.223 120.400 0.056 0.000 2.097 201 K HA 0.038 4.373 4.320 0.024 0.000 0.206 201 K C 2.274 178.954 176.600 0.133 0.000 1.049 201 K CA 0.738 57.078 56.287 0.089 0.000 0.933 201 K CB -0.623 31.892 32.500 0.025 0.000 0.717 201 K HN 0.330 nan 8.250 nan 0.000 0.442 202 I N 1.053 121.651 120.570 0.046 0.000 2.099 202 I HA -0.267 3.918 4.170 0.024 0.000 0.239 202 I C 2.319 178.470 176.117 0.056 0.000 1.066 202 I CA 1.390 62.711 61.300 0.036 0.000 1.324 202 I CB -0.944 37.099 38.000 0.071 0.000 1.037 202 I HN 0.194 nan 8.210 nan 0.000 0.401 203 E N 1.098 121.343 120.200 0.075 0.000 2.171 203 E HA -0.275 4.090 4.350 0.024 0.000 0.197 203 E C 2.093 178.751 176.600 0.096 0.000 0.997 203 E CA 1.661 58.106 56.400 0.075 0.000 0.810 203 E CB -0.200 29.543 29.700 0.072 0.000 0.738 203 E HN 0.479 nan 8.360 nan 0.000 0.467 204 E N -0.336 119.946 120.200 0.135 0.000 2.072 204 E HA -0.147 4.218 4.350 0.024 0.000 0.190 204 E C 2.164 178.918 176.600 0.256 0.000 0.982 204 E CA 0.769 57.290 56.400 0.201 0.000 0.803 204 E CB -0.187 29.658 29.700 0.241 0.000 0.755 204 E HN 0.375 nan 8.360 nan 0.000 0.453 205 L N 0.788 122.112 121.223 0.168 0.000 1.970 205 L HA -0.229 4.126 4.340 0.024 0.000 0.212 205 L C 2.703 179.545 176.870 -0.047 0.000 1.071 205 L CA 1.525 56.244 54.840 -0.202 0.000 0.751 205 L CB -0.321 41.434 42.059 -0.507 0.000 0.889 205 L HN 0.181 nan 8.230 nan 0.000 0.432 206 R N -0.470 120.019 120.500 -0.017 0.000 2.133 206 R HA -0.281 4.074 4.340 0.024 0.000 0.245 206 R C 2.189 178.527 176.300 0.063 0.000 1.137 206 R CA 2.452 58.560 56.100 0.015 0.000 0.947 206 R CB -0.473 29.846 30.300 0.031 0.000 0.865 206 R HN 0.595 nan 8.270 nan 0.000 0.437 207 Q N -1.203 118.657 119.800 0.100 0.000 2.224 207 Q HA -0.179 4.176 4.340 0.024 0.000 0.203 207 Q C 2.031 178.141 176.000 0.184 0.000 0.970 207 Q CA 1.128 57.000 55.803 0.116 0.000 0.865 207 Q CB -0.172 28.630 28.738 0.106 0.000 0.922 207 Q HN 0.614 nan 8.270 nan 0.000 0.445 208 H N 0.718 119.857 119.070 0.115 0.000 2.363 208 H HA -0.038 4.532 4.556 0.024 0.000 0.301 208 H C 1.999 177.503 175.328 0.295 0.000 1.074 208 H CA 0.730 56.896 56.048 0.196 0.000 1.354 208 H CB 0.213 30.110 29.762 0.225 0.000 1.397 208 H HN 0.181 nan 8.280 nan 0.000 0.516 209 L N 0.343 121.590 121.223 0.040 0.000 2.017 209 L HA -0.193 4.161 4.340 0.024 0.000 0.208 209 L C 2.702 179.645 176.870 0.122 0.000 1.073 209 L CA 0.585 55.422 54.840 -0.005 0.000 0.745 209 L CB -0.343 41.691 42.059 -0.042 0.000 0.894 209 L HN 0.275 nan 8.230 nan 0.000 0.432 210 L N 0.039 121.320 121.223 0.097 0.000 2.131 210 L HA -0.178 4.177 4.340 0.024 0.000 0.210 210 L C 2.572 179.481 176.870 0.064 0.000 1.092 210 L CA 1.580 56.470 54.840 0.084 0.000 0.759 210 L CB -0.691 41.406 42.059 0.064 0.000 0.903 210 L HN 0.110 nan 8.230 nan 0.000 0.435 211 R N -1.692 118.841 120.500 0.054 0.000 2.293 211 R HA -0.189 4.165 4.340 0.024 0.000 0.219 211 R C 0.730 176.843 176.300 -0.311 0.000 1.091 211 R CA 1.265 57.299 56.100 -0.111 0.000 1.004 211 R CB -0.223 30.018 30.300 -0.099 0.000 0.865 211 R HN 0.499 nan 8.270 nan 0.000 0.469 212 W N -0.782 120.500 121.300 -0.030 0.000 3.102 212 W HA 0.320 4.995 4.660 0.025 0.000 0.401 212 W C 0.936 177.451 176.519 -0.008 0.000 1.070 212 W CA 0.337 57.662 57.345 -0.034 0.000 1.921 212 W CB 0.743 30.146 29.460 -0.095 0.000 1.118 212 W HN 0.164 nan 8.180 nan 0.000 0.647 213 G N 0.983 109.868 108.800 0.142 0.000 2.147 213 G HA2 -0.289 3.686 3.960 0.024 0.000 0.244 213 G HA3 -0.289 3.686 3.960 0.024 0.000 0.244 213 G C -0.203 174.774 174.900 0.127 0.000 1.005 213 G CA -0.365 44.804 45.100 0.114 0.000 0.713 213 G HN 0.183 nan 8.290 nan 0.000 0.515 214 L N 1.326 122.629 121.223 0.133 0.000 2.282 214 L HA 0.510 4.864 4.340 0.024 0.000 0.288 214 L C 0.219 177.137 176.870 0.081 0.000 1.033 214 L CA -0.475 54.434 54.840 0.114 0.000 0.807 214 L CB 1.740 43.861 42.059 0.104 0.000 1.209 214 L HN 0.121 nan 8.230 nan 0.000 0.423 215 T N 1.392 115.991 114.554 0.075 0.000 2.794 215 T HA 0.541 4.906 4.350 0.024 0.000 0.280 215 T C 0.016 174.739 174.700 0.039 0.000 0.987 215 T CA -0.444 61.687 62.100 0.051 0.000 0.993 215 T CB 1.727 70.621 68.868 0.042 0.000 0.939 215 T HN 0.516 nan 8.240 nan 0.000 0.449 216 T N 3.553 118.125 114.554 0.030 0.000 2.916 216 T HA 0.623 4.988 4.350 0.024 0.000 0.292 216 T C -2.621 172.098 174.700 0.032 0.000 1.064 216 T CA -1.572 60.542 62.100 0.022 0.000 1.011 216 T CB 1.528 70.405 68.868 0.015 0.000 1.152 216 T HN 0.254 nan 8.240 nan 0.000 0.510 217 P HA 0.452 nan 4.420 nan 0.000 0.277 217 P C -0.713 176.710 177.300 0.204 0.000 1.240 217 P CA -0.541 62.611 63.100 0.087 0.000 0.798 217 P CB 0.394 32.151 31.700 0.096 0.000 0.979 218 D N 0.318 120.975 120.400 0.429 0.000 2.371 218 D HA 0.028 4.682 4.640 0.024 0.000 0.242 218 D C 1.263 177.635 176.300 0.120 0.000 1.218 218 D CA -0.038 54.123 54.000 0.268 0.000 0.945 218 D CB 0.467 41.416 40.800 0.248 0.000 1.137 218 D HN 0.155 nan 8.370 nan 0.000 0.464 219 K N 0.823 121.238 120.400 0.026 0.000 2.286 219 K HA -0.185 4.149 4.320 0.024 0.000 0.203 219 K C 0.579 177.118 176.600 -0.102 0.000 1.045 219 K CA 1.329 57.611 56.287 -0.009 0.000 0.935 219 K CB -0.041 32.462 32.500 0.004 0.000 0.737 219 K HN 0.404 nan 8.250 nan 0.000 0.460 220 K N -0.780 119.438 120.400 -0.303 0.000 3.129 220 K HA 0.081 4.416 4.320 0.024 0.000 0.241 220 K C -0.264 175.843 176.600 -0.822 0.000 1.239 220 K CA -0.140 55.875 56.287 -0.453 0.000 1.239 220 K CB 0.129 32.390 32.500 -0.397 0.000 1.347 220 K HN 0.166 nan 8.250 nan 0.000 0.435 221 H N -0.391 118.699 119.070 0.034 0.000 2.359 221 H HA 0.019 4.590 4.556 0.024 0.000 0.166 221 H C -0.342 175.011 175.328 0.042 0.000 0.898 221 H CA -0.382 55.685 56.048 0.032 0.000 0.819 221 H CB -0.091 29.685 29.762 0.024 0.000 0.888 221 H HN 0.243 nan 8.280 nan 0.000 0.441 222 Q N 3.849 123.738 119.800 0.148 0.000 2.308 222 Q HA -0.008 4.346 4.340 0.024 0.000 0.313 222 Q C 0.158 176.233 176.000 0.126 0.000 1.075 222 Q CA 0.347 56.218 55.803 0.112 0.000 0.995 222 Q CB 0.831 29.621 28.738 0.088 0.000 1.107 222 Q HN 0.025 nan 8.270 nan 0.000 0.380 223 K N 2.312 122.801 120.400 0.149 0.000 2.339 223 K HA 0.024 4.359 4.320 0.024 0.000 0.260 223 K C 0.160 176.947 176.600 0.311 0.000 0.989 223 K CA 0.423 56.843 56.287 0.222 0.000 0.888 223 K CB 0.281 32.939 32.500 0.264 0.000 0.983 223 K HN 0.492 nan 8.250 nan 0.000 0.515 224 E N 0.430 120.782 120.200 0.253 0.000 2.299 224 E HA 0.437 4.802 4.350 0.024 0.000 0.265 224 E C -2.346 173.984 176.600 -0.449 0.000 0.911 224 E CA -2.174 54.264 56.400 0.062 0.000 0.789 224 E CB 1.200 30.906 29.700 0.010 0.000 1.246 224 E HN 0.226 nan 8.360 nan 0.000 0.427 225 P HA 0.227 nan 4.420 nan 0.000 0.274 225 P C -2.353 174.696 177.300 -0.419 0.000 1.237 225 P CA -0.946 61.529 63.100 -1.043 0.000 0.793 225 P CB -0.226 31.214 31.700 -0.434 0.000 0.977 226 P HA 0.300 nan 4.420 nan 0.000 0.276 226 P C -1.052 175.962 177.300 -0.476 0.000 1.261 226 P CA -0.127 62.756 63.100 -0.362 0.000 0.800 226 P CB 0.390 31.875 31.700 -0.359 0.000 1.066 227 F N -0.882 119.113 119.950 0.076 0.000 2.458 227 F HA 0.391 4.933 4.527 0.024 0.000 0.330 227 F C 0.436 176.337 175.800 0.169 0.000 1.082 227 F CA -0.816 57.270 58.000 0.144 0.000 0.995 227 F CB 0.713 39.823 39.000 0.182 0.000 1.170 227 F HN -0.019 nan 8.300 nan 0.000 0.478 228 L N 2.735 124.216 121.223 0.429 0.000 2.313 228 L HA 0.178 4.532 4.340 0.024 0.000 0.282 228 L C -0.794 176.356 176.870 0.466 0.000 1.092 228 L CA -0.042 54.999 54.840 0.336 0.000 0.831 228 L CB 0.588 42.788 42.059 0.235 0.000 1.159 228 L HN 0.591 nan 8.230 nan 0.000 0.442 229 W N 7.266 128.615 121.300 0.082 0.000 2.802 229 W HA 0.234 4.908 4.660 0.024 0.000 0.331 229 W C 0.049 176.616 176.519 0.080 0.000 1.021 229 W CA -1.194 56.161 57.345 0.017 0.000 1.259 229 W CB 1.627 31.055 29.460 -0.054 0.000 1.323 229 W HN 0.664 nan 8.180 nan 0.000 0.432 230 M N 4.131 123.420 119.600 -0.518 0.000 2.137 230 M HA -0.205 4.290 4.480 0.024 0.000 0.185 230 M C 0.661 176.977 176.300 0.027 0.000 0.597 230 M CA 2.125 57.237 55.300 -0.314 0.000 0.426 230 M CB -1.957 30.368 32.600 -0.458 0.000 1.006 230 M HN 0.881 nan 8.290 nan 0.000 0.922 231 G N -1.641 107.127 108.800 -0.054 0.000 2.213 231 G HA2 -0.223 3.751 3.960 0.024 0.000 0.226 231 G HA3 -0.223 3.751 3.960 0.024 0.000 0.226 231 G C -0.301 174.409 174.900 -0.317 0.000 0.992 231 G CA 0.081 45.029 45.100 -0.254 0.000 0.632 231 G HN 0.837 nan 8.290 nan 0.000 0.511 232 Y N 0.380 120.700 120.300 0.033 0.000 2.598 232 Y HA 0.728 5.292 4.550 0.024 0.000 0.340 232 Y C 0.322 176.285 175.900 0.105 0.000 1.038 232 Y CA -1.395 56.746 58.100 0.069 0.000 1.100 232 Y CB 1.161 39.622 38.460 0.001 0.000 1.281 232 Y HN 0.080 nan 8.280 nan 0.000 0.488 233 E N 1.869 122.232 120.200 0.272 0.000 2.175 233 E HA 0.514 4.879 4.350 0.024 0.000 0.278 233 E C -1.437 175.190 176.600 0.045 0.000 0.969 233 E CA -0.542 55.924 56.400 0.110 0.000 0.796 233 E CB 1.345 31.071 29.700 0.043 0.000 1.104 233 E HN 0.430 nan 8.360 nan 0.000 0.395 234 L N 4.497 125.725 121.223 0.010 0.000 2.298 234 L HA 0.397 4.752 4.340 0.024 0.000 0.284 234 L C -0.074 176.769 176.870 -0.045 0.000 1.013 234 L CA -0.819 54.078 54.840 0.094 0.000 0.824 234 L CB 0.717 42.933 42.059 0.262 0.000 1.221 234 L HN 0.435 nan 8.230 nan 0.000 0.418 235 H N 3.600 122.856 119.070 0.311 0.000 2.544 235 H HA 0.271 4.841 4.556 0.024 0.000 0.342 235 H C -1.720 173.823 175.328 0.359 0.000 1.185 235 H CA -2.119 54.061 56.048 0.220 0.000 1.264 235 H CB 1.608 31.456 29.762 0.144 0.000 1.607 235 H HN 0.367 nan 8.280 nan 0.000 0.550 236 P HA -0.084 nan 4.420 nan 0.000 0.233 236 P C 0.321 177.831 177.300 0.351 0.000 1.167 236 P CA 1.011 64.278 63.100 0.279 0.000 0.770 236 P CB 0.432 32.233 31.700 0.167 0.000 0.837 237 D N -0.600 120.045 120.400 0.409 0.000 2.454 237 D HA 0.076 4.731 4.640 0.024 0.000 0.214 237 D C 0.740 177.222 176.300 0.302 0.000 1.088 237 D CA 0.329 54.526 54.000 0.328 0.000 0.855 237 D CB 0.170 41.064 40.800 0.157 0.000 1.025 237 D HN 0.322 nan 8.370 nan 0.000 0.502 238 K N -1.177 119.386 120.400 0.271 0.000 2.672 238 K HA 0.412 4.747 4.320 0.024 0.000 0.295 238 K C -1.582 174.960 176.600 -0.096 0.000 1.042 238 K CA -1.183 54.946 56.287 -0.264 0.000 0.869 238 K CB 1.012 33.409 32.500 -0.172 0.000 1.541 238 K HN 0.087 nan 8.250 nan 0.000 0.396 239 W N 0.705 121.832 121.300 -0.290 0.000 2.864 239 W HA 0.686 5.360 4.660 0.023 0.000 0.343 239 W C -1.423 175.147 176.519 0.085 0.000 1.109 239 W CA -0.909 56.383 57.345 -0.088 0.000 1.192 239 W CB 1.499 30.853 29.460 -0.177 0.000 1.426 239 W HN 0.804 nan 8.180 nan 0.000 0.529 240 T N -0.997 113.877 114.554 0.532 0.000 2.906 240 T HA 0.542 4.906 4.350 0.024 0.000 0.295 240 T C -0.732 174.277 174.700 0.515 0.000 1.061 240 T CA -0.717 61.663 62.100 0.466 0.000 1.000 240 T CB 1.760 70.832 68.868 0.340 0.000 1.103 240 T HN 0.405 nan 8.240 nan 0.000 0.486 241 V N 2.296 122.460 119.914 0.418 0.000 2.530 241 V HA 0.246 4.381 4.120 0.024 0.000 0.282 241 V C 0.690 176.864 176.094 0.135 0.000 1.048 241 V CA -0.850 61.578 62.300 0.214 0.000 0.997 241 V CB 0.500 32.379 31.823 0.093 0.000 0.987 241 V HN 0.907 nan 8.190 nan 0.000 0.477 242 Q N 5.797 125.622 119.800 0.042 0.000 2.286 242 Q HA 0.146 4.500 4.340 0.024 0.000 0.290 242 Q C -2.094 173.929 176.000 0.037 0.000 1.049 242 Q CA -1.116 54.704 55.803 0.028 0.000 0.923 242 Q CB 0.231 28.943 28.738 -0.043 0.000 1.183 242 Q HN 0.560 nan 8.270 nan 0.000 0.383 243 P HA 0.051 nan 4.420 nan 0.000 0.271 243 P C -0.840 176.472 177.300 0.021 0.000 1.216 243 P CA 0.186 63.339 63.100 0.087 0.000 0.771 243 P CB 0.554 32.297 31.700 0.073 0.000 0.864 244 I N 3.271 123.850 120.570 0.014 0.000 2.353 244 I HA 0.187 4.372 4.170 0.024 0.000 0.293 244 I C 0.651 176.742 176.117 -0.044 0.000 0.992 244 I CA -1.035 60.238 61.300 -0.045 0.000 1.268 244 I CB 1.420 39.383 38.000 -0.062 0.000 1.387 244 I HN 0.140 nan 8.210 nan 0.000 0.478 245 V N 5.449 125.338 119.914 -0.040 0.000 2.385 245 V HA 0.476 4.611 4.120 0.024 0.000 0.269 245 V C -0.207 175.884 176.094 -0.006 0.000 1.043 245 V CA -0.585 61.702 62.300 -0.022 0.000 0.906 245 V CB 0.777 32.589 31.823 -0.018 0.000 0.995 245 V HN 0.544 nan 8.190 nan 0.000 0.467 246 L N 6.857 128.085 121.223 0.008 0.000 2.255 246 L HA 0.477 4.831 4.340 0.024 0.000 0.289 246 L C -1.679 175.251 176.870 0.101 0.000 1.046 246 L CA -1.514 53.356 54.840 0.050 0.000 0.816 246 L CB 1.367 43.442 42.059 0.027 0.000 1.197 246 L HN 0.525 nan 8.230 nan 0.000 0.427 247 P HA -0.078 nan 4.420 nan 0.000 0.274 247 P C -0.662 176.759 177.300 0.201 0.000 1.248 247 P CA 0.077 63.253 63.100 0.127 0.000 0.827 247 P CB 0.436 32.189 31.700 0.088 0.000 0.972 248 E N 0.100 120.352 120.200 0.087 0.000 2.528 248 E HA 0.228 4.593 4.350 0.024 0.000 0.277 248 E C -1.374 175.209 176.600 -0.028 0.000 0.980 248 E CA -0.509 55.969 56.400 0.130 0.000 0.796 248 E CB 0.289 30.035 29.700 0.076 0.000 1.427 248 E HN 0.194 nan 8.360 nan 0.000 0.394 249 K N 2.516 122.839 120.400 -0.129 0.000 2.350 249 K HA 0.474 4.809 4.320 0.024 0.000 0.241 249 K C -0.396 176.100 176.600 -0.173 0.000 0.994 249 K CA -0.991 55.071 56.287 -0.376 0.000 0.839 249 K CB 1.332 33.271 32.500 -0.934 0.000 1.244 249 K HN 0.139 nan 8.250 nan 0.000 0.443 250 D N 0.195 120.495 120.400 -0.166 0.000 2.366 250 D HA 0.044 4.698 4.640 0.024 0.000 0.205 250 D C -0.319 175.957 176.300 -0.040 0.000 1.022 250 D CA 0.683 54.663 54.000 -0.033 0.000 0.868 250 D CB 0.559 41.340 40.800 -0.032 0.000 0.953 250 D HN 0.225 nan 8.370 nan 0.000 0.514 251 S N 0.288 115.862 115.700 -0.210 0.000 2.647 251 S HA 0.376 4.860 4.470 0.024 0.000 0.300 251 S C -1.272 173.135 174.600 -0.321 0.000 1.129 251 S CA -0.735 57.379 58.200 -0.144 0.000 1.029 251 S CB 1.141 64.278 63.200 -0.105 0.000 1.007 251 S HN 0.076 nan 8.310 nan 0.000 0.484 252 W N 2.530 123.825 121.300 -0.008 0.000 2.361 252 W HA 0.449 5.125 4.660 0.026 0.000 0.314 252 W C 0.863 177.379 176.519 -0.006 0.000 1.041 252 W CA -0.637 56.703 57.345 -0.008 0.000 1.241 252 W CB 1.098 30.553 29.460 -0.008 0.000 1.279 252 W HN 0.627 nan 8.180 nan 0.000 0.436 253 T N -1.524 113.136 114.554 0.177 0.000 2.862 253 T HA 0.276 4.641 4.350 0.024 0.000 0.276 253 T C 0.950 175.730 174.700 0.134 0.000 0.974 253 T CA -0.680 61.489 62.100 0.115 0.000 0.966 253 T CB 1.205 70.104 68.868 0.051 0.000 1.072 253 T HN 0.172 nan 8.240 nan 0.000 0.538 254 V N 1.616 121.581 119.914 0.085 0.000 2.233 254 V HA -0.206 3.929 4.120 0.024 0.000 0.247 254 V C 2.959 179.099 176.094 0.076 0.000 1.050 254 V CA 2.119 64.461 62.300 0.071 0.000 1.010 254 V CB -1.090 30.761 31.823 0.046 0.000 0.637 254 V HN 0.874 nan 8.190 nan 0.000 0.444 255 N N 0.312 119.049 118.700 0.063 0.000 2.069 255 N HA -0.230 4.525 4.740 0.024 0.000 0.196 255 N C 1.544 177.106 175.510 0.086 0.000 1.024 255 N CA 2.111 55.196 53.050 0.057 0.000 0.869 255 N CB -0.507 38.003 38.487 0.039 0.000 1.035 255 N HN 0.523 nan 8.380 nan 0.000 0.434 256 D N 0.672 121.147 120.400 0.125 0.000 2.092 256 D HA -0.121 4.534 4.640 0.024 0.000 0.193 256 D C 2.137 178.596 176.300 0.265 0.000 0.994 256 D CA 0.800 54.932 54.000 0.220 0.000 0.828 256 D CB -0.407 40.587 40.800 0.323 0.000 0.963 256 D HN 0.390 nan 8.370 nan 0.000 0.450 257 I N 0.762 121.456 120.570 0.207 0.000 2.394 257 I HA -0.233 3.952 4.170 0.024 0.000 0.251 257 I C 2.475 178.624 176.117 0.054 0.000 1.136 257 I CA 0.859 62.214 61.300 0.091 0.000 1.425 257 I CB -0.269 37.754 38.000 0.038 0.000 1.079 257 I HN -0.002 nan 8.210 nan 0.000 0.425 258 Q N 0.823 120.661 119.800 0.063 0.000 2.046 258 Q HA -0.165 4.190 4.340 0.024 0.000 0.200 258 Q C 2.267 178.297 176.000 0.051 0.000 0.975 258 Q CA 1.074 56.904 55.803 0.046 0.000 0.836 258 Q CB -0.063 28.700 28.738 0.042 0.000 0.896 258 Q HN 0.392 nan 8.270 nan 0.000 0.428 259 K N 0.939 121.377 120.400 0.064 0.000 2.001 259 K HA -0.192 4.142 4.320 0.024 0.000 0.214 259 K C 2.168 178.804 176.600 0.061 0.000 1.050 259 K CA 0.864 57.186 56.287 0.059 0.000 0.934 259 K CB -0.925 31.615 32.500 0.065 0.000 0.718 259 K HN 0.127 nan 8.250 nan 0.000 0.443 260 L N 1.601 122.873 121.223 0.082 0.000 1.978 260 L HA -0.228 4.126 4.340 0.024 0.000 0.218 260 L C 2.361 179.248 176.870 0.027 0.000 1.075 260 L CA 1.607 56.483 54.840 0.059 0.000 0.767 260 L CB -0.838 41.243 42.059 0.037 0.000 0.890 260 L HN -0.045 nan 8.230 nan 0.000 0.434 261 V N 0.249 120.173 119.914 0.016 0.000 2.252 261 V HA -0.326 3.808 4.120 0.024 0.000 0.249 261 V C 2.626 178.747 176.094 0.045 0.000 1.056 261 V CA 2.050 64.360 62.300 0.016 0.000 1.022 261 V CB -1.834 29.995 31.823 0.010 0.000 0.641 261 V HN 0.707 nan 8.190 nan 0.000 0.445 262 G N -0.516 108.316 108.800 0.053 0.000 2.586 262 G HA2 -0.417 3.558 3.960 0.024 0.000 0.218 262 G HA3 -0.417 3.558 3.960 0.024 0.000 0.218 262 G C 1.580 176.545 174.900 0.108 0.000 1.216 262 G CA 1.603 46.749 45.100 0.077 0.000 0.786 262 G HN 0.474 nan 8.290 nan 0.000 0.583 263 K N -0.503 119.942 120.400 0.076 0.000 2.000 263 K HA -0.088 4.247 4.320 0.024 0.000 0.218 263 K C 2.569 179.244 176.600 0.125 0.000 1.053 263 K CA 1.312 57.639 56.287 0.068 0.000 0.946 263 K CB -0.458 32.050 32.500 0.013 0.000 0.723 263 K HN 0.166 nan 8.250 nan 0.000 0.446 264 L N 1.646 122.917 121.223 0.081 0.000 2.021 264 L HA -0.293 4.062 4.340 0.024 0.000 0.215 264 L C 2.263 179.208 176.870 0.126 0.000 1.074 264 L CA 1.807 56.695 54.840 0.080 0.000 0.760 264 L CB -1.621 40.454 42.059 0.027 0.000 0.889 264 L HN 0.483 nan 8.230 nan 0.000 0.433 265 N N -0.803 117.968 118.700 0.117 0.000 2.036 265 N HA -0.272 4.482 4.740 0.024 0.000 0.195 265 N C 1.889 177.492 175.510 0.156 0.000 1.037 265 N CA 1.888 55.001 53.050 0.106 0.000 0.855 265 N CB -0.288 38.250 38.487 0.085 0.000 1.033 265 N HN 0.449 nan 8.380 nan 0.000 0.423 266 W N 1.785 123.092 121.300 0.011 0.000 2.305 266 W HA -0.272 4.403 4.660 0.025 0.000 0.308 266 W C 2.445 178.974 176.519 0.017 0.000 1.226 266 W CA 2.533 59.881 57.345 0.006 0.000 1.253 266 W CB -0.342 29.114 29.460 -0.007 0.000 1.146 266 W HN 0.155 nan 8.180 nan 0.000 0.507 267 A N -0.316 122.847 122.820 0.571 0.000 1.933 267 A HA -0.239 4.096 4.320 0.024 0.000 0.218 267 A C 1.933 179.694 177.584 0.294 0.000 1.175 267 A CA 2.202 54.557 52.037 0.529 0.000 0.628 267 A CB -1.319 17.911 19.000 0.382 0.000 0.814 267 A HN 0.297 nan 8.150 nan 0.000 0.444 268 S N 0.075 115.869 115.700 0.155 0.000 2.400 268 S HA -0.291 4.194 4.470 0.024 0.000 0.234 268 S C 2.061 176.655 174.600 -0.011 0.000 1.049 268 S CA 1.694 59.934 58.200 0.066 0.000 1.039 268 S CB -0.396 62.817 63.200 0.021 0.000 0.856 268 S HN 0.675 nan 8.310 nan 0.000 0.465 269 Q N 0.760 120.499 119.800 -0.102 0.000 1.993 269 Q HA -0.002 4.353 4.340 0.024 0.000 0.202 269 Q C 2.373 178.277 176.000 -0.161 0.000 0.984 269 Q CA 1.294 56.965 55.803 -0.220 0.000 0.837 269 Q CB -0.617 27.891 28.738 -0.384 0.000 0.902 269 Q HN 0.565 nan 8.270 nan 0.000 0.423 270 I N -0.764 119.741 120.570 -0.107 0.000 2.193 270 I HA -0.176 4.008 4.170 0.024 0.000 0.240 270 I C 0.447 176.489 176.117 -0.124 0.000 1.084 270 I CA 0.642 61.881 61.300 -0.103 0.000 1.365 270 I CB -0.284 37.638 38.000 -0.130 0.000 1.064 270 I HN 0.024 nan 8.210 nan 0.000 0.410 271 Y N 2.749 123.093 120.300 0.073 0.000 2.304 271 Y HA 0.298 4.862 4.550 0.023 0.000 0.328 271 Y C -2.080 173.829 175.900 0.015 0.000 1.123 271 Y CA -2.878 55.254 58.100 0.054 0.000 1.218 271 Y CB 0.070 38.569 38.460 0.066 0.000 1.207 271 Y HN -0.006 nan 8.280 nan 0.000 0.495 272 P HA 0.314 nan 4.420 nan 0.000 0.290 272 P C 0.389 177.731 177.300 0.069 0.000 1.275 272 P CA -0.087 63.059 63.100 0.078 0.000 0.841 272 P CB 1.991 33.716 31.700 0.042 0.000 1.042 273 G N 1.785 110.606 108.800 0.034 0.000 2.195 273 G HA2 -0.191 3.783 3.960 0.024 0.000 0.246 273 G HA3 -0.191 3.783 3.960 0.024 0.000 0.246 273 G C 0.245 175.151 174.900 0.010 0.000 0.984 273 G CA -0.384 44.725 45.100 0.017 0.000 0.633 273 G HN 0.462 nan 8.290 nan 0.000 0.525 274 I N 1.314 121.899 120.570 0.025 0.000 2.710 274 I HA 0.323 4.508 4.170 0.024 0.000 0.286 274 I C 0.754 176.873 176.117 0.002 0.000 1.181 274 I CA 0.732 62.039 61.300 0.012 0.000 1.430 274 I CB 0.634 38.659 38.000 0.041 0.000 1.367 274 I HN 0.200 nan 8.210 nan 0.000 0.577 275 K N 4.320 124.712 120.400 -0.013 0.000 2.477 275 K HA 0.577 4.912 4.320 0.024 0.000 0.255 275 K C 0.014 176.598 176.600 -0.027 0.000 0.952 275 K CA -0.603 55.673 56.287 -0.018 0.000 0.826 275 K CB 2.918 35.403 32.500 -0.024 0.000 1.331 275 K HN 0.377 nan 8.250 nan 0.000 0.437 276 V N -2.046 117.853 119.914 -0.025 0.000 3.392 276 V HA 0.167 4.301 4.120 0.024 0.000 0.294 276 V C 1.622 177.694 176.094 -0.036 0.000 1.561 276 V CA -0.081 62.198 62.300 -0.035 0.000 1.056 276 V CB 0.290 32.100 31.823 -0.022 0.000 0.882 276 V HN 0.823 nan 8.190 nan 0.000 0.440 277 R N 0.788 121.270 120.500 -0.030 0.000 2.159 277 R HA -0.246 4.108 4.340 0.024 0.000 0.249 277 R C 2.259 178.537 176.300 -0.036 0.000 1.136 277 R CA 2.911 58.993 56.100 -0.029 0.000 0.951 277 R CB -0.191 30.093 30.300 -0.027 0.000 0.876 277 R HN 0.610 nan 8.270 nan 0.000 0.440 278 Q N 0.229 120.002 119.800 -0.045 0.000 2.172 278 Q HA -0.007 4.348 4.340 0.024 0.000 0.200 278 Q C 1.269 177.228 176.000 -0.068 0.000 0.964 278 Q CA 0.752 56.524 55.803 -0.052 0.000 0.855 278 Q CB -0.125 28.579 28.738 -0.057 0.000 0.918 278 Q HN 0.382 nan 8.270 nan 0.000 0.444 282 L N 2.105 123.308 121.223 -0.032 0.000 2.450 282 L HA -0.091 4.264 4.340 0.024 0.000 0.225 282 L C 1.717 178.582 176.870 -0.008 0.000 1.145 282 L CA 1.619 56.444 54.840 -0.025 0.000 0.801 282 L CB -0.572 41.461 42.059 -0.043 0.000 0.924 282 L HN 0.201 nan 8.230 nan 0.000 0.447 283 L N -1.426 119.793 121.223 -0.007 0.000 2.591 283 L HA 0.061 4.416 4.340 0.024 0.000 0.228 283 L C 0.930 177.802 176.870 0.004 0.000 1.133 283 L CA -0.189 54.653 54.840 0.003 0.000 0.880 283 L CB -0.339 41.723 42.059 0.004 0.000 1.033 283 L HN 0.042 nan 8.230 nan 0.000 0.450 284 R N 1.069 121.569 120.500 -0.000 0.000 2.458 284 R HA 0.181 4.536 4.340 0.024 0.000 0.303 284 R C 1.194 177.496 176.300 0.004 0.000 1.013 284 R CA 0.649 56.750 56.100 0.001 0.000 1.026 284 R CB 0.101 30.399 30.300 -0.003 0.000 0.948 284 R HN 0.294 nan 8.270 nan 0.000 0.417 285 G N 2.661 111.464 108.800 0.005 0.000 2.258 285 G HA2 -0.336 3.638 3.960 0.024 0.000 0.274 285 G HA3 -0.336 3.638 3.960 0.024 0.000 0.274 285 G C 0.291 175.196 174.900 0.009 0.000 1.021 285 G CA 0.718 45.822 45.100 0.006 0.000 0.798 285 G HN 0.727 nan 8.290 nan 0.000 0.507 286 T N -1.502 113.059 114.554 0.010 0.000 2.902 286 T HA 0.437 4.802 4.350 0.024 0.000 0.301 286 T C 1.424 176.132 174.700 0.013 0.000 1.012 286 T CA 0.427 62.536 62.100 0.014 0.000 1.151 286 T CB 1.501 70.379 68.868 0.017 0.000 0.946 286 T HN 0.716 nan 8.240 nan 0.000 0.542 287 K N 1.259 121.667 120.400 0.014 0.000 2.379 287 K HA 0.497 4.832 4.320 0.024 0.000 0.194 287 K C 0.461 177.069 176.600 0.013 0.000 1.031 287 K CA -0.132 56.162 56.287 0.012 0.000 1.037 287 K CB 0.422 32.929 32.500 0.011 0.000 0.824 287 K HN 0.738 nan 8.250 nan 0.000 0.516 288 A N 0.705 123.534 122.820 0.016 0.000 2.582 288 A HA 0.321 4.656 4.320 0.024 0.000 0.297 288 A C 0.276 177.872 177.584 0.020 0.000 1.059 288 A CA -0.819 51.227 52.037 0.016 0.000 0.705 288 A CB 0.505 19.513 19.000 0.014 0.000 1.279 288 A HN 0.109 nan 8.150 nan 0.000 0.404 289 L N 0.842 122.076 121.223 0.019 0.000 2.043 289 L HA -0.211 4.144 4.340 0.024 0.000 0.212 289 L C 2.764 179.649 176.870 0.026 0.000 1.075 289 L CA 2.323 57.177 54.840 0.023 0.000 0.752 289 L CB -0.561 41.510 42.059 0.020 0.000 0.891 289 L HN 0.993 nan 8.230 nan 0.000 0.432 290 T N -3.388 111.178 114.554 0.019 0.000 3.118 290 T HA -0.090 4.275 4.350 0.024 0.000 0.260 290 T C 0.751 175.464 174.700 0.020 0.000 1.139 290 T CA -0.125 61.984 62.100 0.016 0.000 1.085 290 T CB -0.345 68.528 68.868 0.008 0.000 0.934 290 T HN 0.328 nan 8.240 nan 0.000 0.518 291 E N 1.492 121.707 120.200 0.025 0.000 2.414 291 E HA 0.183 4.548 4.350 0.024 0.000 0.263 291 E C -0.848 175.776 176.600 0.040 0.000 1.000 291 E CA -0.376 56.040 56.400 0.028 0.000 0.914 291 E CB 0.631 30.347 29.700 0.026 0.000 0.948 291 E HN 0.173 nan 8.360 nan 0.000 0.444 292 V N 6.362 126.300 119.914 0.040 0.000 2.406 292 V HA 0.230 4.365 4.120 0.024 0.000 0.272 292 V C 0.097 176.231 176.094 0.066 0.000 1.043 292 V CA -0.598 61.737 62.300 0.058 0.000 0.915 292 V CB 0.862 32.711 31.823 0.043 0.000 0.988 292 V HN 0.509 nan 8.190 nan 0.000 0.466 293 I N 7.005 127.631 120.570 0.093 0.000 2.406 293 I HA 0.452 4.636 4.170 0.024 0.000 0.290 293 I C -2.199 173.972 176.117 0.091 0.000 0.999 293 I CA -2.593 58.751 61.300 0.073 0.000 1.124 293 I CB 1.857 39.890 38.000 0.055 0.000 1.289 293 I HN 0.430 nan 8.210 nan 0.000 0.441 294 P HA 0.280 nan 4.420 nan 0.000 0.275 294 P C -0.655 176.660 177.300 0.025 0.000 1.227 294 P CA -0.407 62.732 63.100 0.066 0.000 0.781 294 P CB 1.162 32.889 31.700 0.045 0.000 0.906 295 L N 2.768 123.997 121.223 0.009 0.000 2.367 295 L HA 0.188 4.543 4.340 0.024 0.000 0.275 295 L C 1.690 178.536 176.870 -0.041 0.000 1.129 295 L CA -0.389 54.409 54.840 -0.069 0.000 0.839 295 L CB 0.296 42.264 42.059 -0.150 0.000 1.133 295 L HN 0.483 nan 8.230 nan 0.000 0.453 296 T N -1.546 112.979 114.554 -0.049 0.000 2.689 296 T HA 0.032 4.397 4.350 0.024 0.000 0.308 296 T C 0.953 175.631 174.700 -0.037 0.000 1.021 296 T CA -0.420 61.660 62.100 -0.033 0.000 0.973 296 T CB 1.249 70.097 68.868 -0.033 0.000 1.113 296 T HN 0.705 nan 8.240 nan 0.000 0.522 297 E N 0.424 120.608 120.200 -0.028 0.000 2.007 297 E HA -0.187 4.178 4.350 0.024 0.000 0.194 297 E C 2.085 178.663 176.600 -0.037 0.000 0.999 297 E CA 1.433 57.817 56.400 -0.027 0.000 0.811 297 E CB -0.202 29.486 29.700 -0.019 0.000 0.762 297 E HN 0.787 nan 8.360 nan 0.000 0.450 298 E N 0.544 120.722 120.200 -0.037 0.000 2.108 298 E HA -0.271 4.093 4.350 0.024 0.000 0.203 298 E C 1.915 178.480 176.600 -0.059 0.000 1.022 298 E CA 1.670 58.045 56.400 -0.042 0.000 0.823 298 E CB -0.341 29.337 29.700 -0.038 0.000 0.744 298 E HN 0.383 nan 8.360 nan 0.000 0.456 299 A N 0.664 123.440 122.820 -0.073 0.000 1.972 299 A HA -0.230 4.105 4.320 0.024 0.000 0.219 299 A C 2.111 179.618 177.584 -0.129 0.000 1.169 299 A CA 1.696 53.668 52.037 -0.109 0.000 0.635 299 A CB -0.364 18.561 19.000 -0.124 0.000 0.810 299 A HN 0.140 nan 8.150 nan 0.000 0.446 300 E N -0.280 119.862 120.200 -0.097 0.000 2.107 300 E HA -0.062 4.302 4.350 0.024 0.000 0.191 300 E C 1.849 178.409 176.600 -0.067 0.000 0.982 300 E CA 0.908 57.258 56.400 -0.083 0.000 0.809 300 E CB -0.270 29.403 29.700 -0.045 0.000 0.756 300 E HN 0.611 nan 8.360 nan 0.000 0.459 301 L N 0.243 121.432 121.223 -0.057 0.000 1.993 301 L HA -0.113 4.241 4.340 0.024 0.000 0.206 301 L C 2.381 179.218 176.870 -0.055 0.000 1.074 301 L CA 1.854 56.667 54.840 -0.046 0.000 0.746 301 L CB -0.469 41.568 42.059 -0.037 0.000 0.896 301 L HN 0.173 nan 8.230 nan 0.000 0.435 302 E N -0.099 120.064 120.200 -0.062 0.000 2.068 302 E HA -0.363 4.002 4.350 0.024 0.000 0.207 302 E C 2.213 178.767 176.600 -0.076 0.000 1.032 302 E CA 2.406 58.767 56.400 -0.065 0.000 0.839 302 E CB -0.402 29.255 29.700 -0.072 0.000 0.758 302 E HN 0.452 nan 8.360 nan 0.000 0.457 303 L N 0.663 121.824 121.223 -0.103 0.000 2.089 303 L HA -0.227 4.128 4.340 0.024 0.000 0.213 303 L C 2.201 179.023 176.870 -0.081 0.000 1.079 303 L CA 2.385 57.153 54.840 -0.119 0.000 0.758 303 L CB -0.737 41.214 42.059 -0.181 0.000 0.891 303 L HN 0.285 nan 8.230 nan 0.000 0.433 304 A N -0.763 122.019 122.820 -0.063 0.000 1.855 304 A HA -0.219 4.115 4.320 0.024 0.000 0.215 304 A C 2.135 179.691 177.584 -0.046 0.000 1.191 304 A CA 1.715 53.726 52.037 -0.044 0.000 0.613 304 A CB -0.696 18.284 19.000 -0.033 0.000 0.829 304 A HN 0.599 nan 8.150 nan 0.000 0.442 305 E N -0.048 120.124 120.200 -0.047 0.000 2.209 305 E HA -0.188 4.177 4.350 0.024 0.000 0.196 305 E C 1.668 178.232 176.600 -0.059 0.000 0.993 305 E CA 1.081 57.454 56.400 -0.045 0.000 0.819 305 E CB -0.217 29.459 29.700 -0.039 0.000 0.745 305 E HN 0.527 nan 8.360 nan 0.000 0.477 306 N N 0.804 119.463 118.700 -0.067 0.000 2.142 306 N HA -0.080 4.674 4.740 0.024 0.000 0.186 306 N C 1.582 177.027 175.510 -0.108 0.000 1.023 306 N CA 0.820 53.818 53.050 -0.087 0.000 0.852 306 N CB -0.114 38.325 38.487 -0.080 0.000 0.998 306 N HN 0.105 nan 8.380 nan 0.000 0.424 307 R N 0.835 121.286 120.500 -0.081 0.000 2.120 307 R HA -0.026 4.329 4.340 0.024 0.000 0.234 307 R C 1.817 178.067 176.300 -0.084 0.000 1.123 307 R CA 0.876 56.931 56.100 -0.075 0.000 0.975 307 R CB -0.048 30.227 30.300 -0.041 0.000 0.866 307 R HN 0.390 nan 8.270 nan 0.000 0.446 308 E N 0.613 120.770 120.200 -0.072 0.000 2.047 308 E HA -0.170 4.195 4.350 0.024 0.000 0.191 308 E C 2.090 178.640 176.600 -0.083 0.000 0.987 308 E CA 1.094 57.457 56.400 -0.061 0.000 0.799 308 E CB -0.066 29.608 29.700 -0.044 0.000 0.752 308 E HN 0.316 nan 8.360 nan 0.000 0.449 309 I N 1.345 121.849 120.570 -0.111 0.000 2.163 309 I HA -0.287 3.898 4.170 0.024 0.000 0.243 309 I C 2.358 178.278 176.117 -0.329 0.000 1.085 309 I CA 0.851 62.063 61.300 -0.148 0.000 1.347 309 I CB -0.195 37.723 38.000 -0.137 0.000 1.044 309 I HN 0.150 nan 8.210 nan 0.000 0.408 310 L N 0.657 121.624 121.223 -0.427 0.000 2.450 310 L HA -0.180 4.175 4.340 0.024 0.000 0.224 310 L C 2.317 179.036 176.870 -0.252 0.000 1.149 310 L CA 1.422 55.921 54.840 -0.569 0.000 0.816 310 L CB -0.757 41.085 42.059 -0.361 0.000 0.932 310 L HN 0.357 nan 8.230 nan 0.000 0.449 311 K N 0.396 120.719 120.400 -0.129 0.000 1.975 311 K HA -0.127 4.208 4.320 0.024 0.000 0.210 311 K C 0.808 177.428 176.600 0.033 0.000 1.041 311 K CA 0.104 56.371 56.287 -0.033 0.000 0.942 311 K CB -0.213 32.273 32.500 -0.024 0.000 0.729 311 K HN 0.198 nan 8.250 nan 0.000 0.439 312 E N 3.159 123.389 120.200 0.049 0.000 3.326 312 E HA -0.134 4.230 4.350 0.024 0.000 0.285 312 E C -2.314 174.436 176.600 0.250 0.000 0.864 312 E CA -0.677 55.804 56.400 0.134 0.000 0.984 312 E CB 0.273 30.074 29.700 0.168 0.000 0.952 312 E HN 0.012 nan 8.360 nan 0.000 0.525 313 P HA 0.119 nan 4.420 nan 0.000 0.293 313 P C -0.911 176.491 177.300 0.170 0.000 1.313 313 P CA -0.382 62.818 63.100 0.167 0.000 0.787 313 P CB 1.207 32.954 31.700 0.078 0.000 0.910 314 V N 6.017 126.032 119.914 0.168 0.000 2.318 314 V HA 0.187 4.321 4.120 0.024 0.000 0.271 314 V C 0.639 176.844 176.094 0.185 0.000 1.030 314 V CA -0.417 61.953 62.300 0.116 0.000 0.844 314 V CB 0.059 31.793 31.823 -0.147 0.000 1.015 314 V HN 0.694 nan 8.190 nan 0.000 0.460 315 H N 3.311 122.323 119.070 -0.098 0.000 2.479 315 H HA 0.867 5.438 4.556 0.024 0.000 0.335 315 H C -0.087 174.812 175.328 -0.714 0.000 1.142 315 H CA -1.010 54.880 56.048 -0.265 0.000 1.234 315 H CB 2.138 31.788 29.762 -0.188 0.000 1.503 315 H HN 0.607 nan 8.280 nan 0.000 0.510 316 G N 0.341 108.160 108.800 -1.634 0.000 2.730 316 G HA2 0.491 4.465 3.960 0.024 0.000 0.289 316 G HA3 0.491 4.465 3.960 0.024 0.000 0.289 316 G C -1.482 172.426 174.900 -1.653 0.000 1.341 316 G CA -0.708 42.935 45.100 -2.429 0.000 0.932 316 G HN 0.575 nan 8.290 nan 0.000 0.481 317 V N 0.381 119.738 119.914 -0.929 0.000 2.604 317 V HA 0.484 4.618 4.120 0.024 0.000 0.305 317 V C -0.733 175.344 176.094 -0.029 0.000 1.043 317 V CA -0.773 61.271 62.300 -0.426 0.000 0.888 317 V CB 1.344 33.051 31.823 -0.193 0.000 0.995 317 V HN 0.611 nan 8.190 nan 0.000 0.429 318 Y N 2.803 123.209 120.300 0.175 0.000 2.220 318 Y HA 0.166 4.731 4.550 0.025 0.000 0.347 318 Y C 0.188 176.276 175.900 0.313 0.000 1.311 318 Y CA -0.287 57.993 58.100 0.300 0.000 1.593 318 Y CB 0.228 38.821 38.460 0.222 0.000 1.419 318 Y HN 0.605 nan 8.280 nan 0.000 0.614 319 Y N 1.811 122.361 120.300 0.416 0.000 2.486 319 Y HA 0.109 4.674 4.550 0.024 0.000 0.348 319 Y C -0.163 175.833 175.900 0.160 0.000 1.000 319 Y CA -0.820 57.447 58.100 0.278 0.000 1.253 319 Y CB 0.303 38.999 38.460 0.393 0.000 1.140 319 Y HN 0.496 nan 8.280 nan 0.000 0.526 320 D N 9.771 130.054 120.400 -0.195 0.000 2.456 320 D HA 0.156 4.811 4.640 0.024 0.000 0.219 320 D C -1.834 174.078 176.300 -0.646 0.000 1.126 320 D CA -2.528 51.277 54.000 -0.324 0.000 0.890 320 D CB 1.387 42.115 40.800 -0.120 0.000 1.025 320 D HN 0.404 nan 8.370 nan 0.000 0.511 321 P HA -0.124 nan 4.420 nan 0.000 0.231 321 P C 0.701 177.835 177.300 -0.277 0.000 1.154 321 P CA 0.595 63.285 63.100 -0.684 0.000 0.762 321 P CB 0.040 31.487 31.700 -0.421 0.000 0.790 322 S N -1.948 113.625 115.700 -0.211 0.000 2.574 322 S HA 0.222 4.707 4.470 0.024 0.000 0.242 322 S C 0.363 174.909 174.600 -0.091 0.000 0.982 322 S CA -0.520 57.611 58.200 -0.115 0.000 0.977 322 S CB -0.339 62.809 63.200 -0.087 0.000 0.814 322 S HN 0.062 nan 8.310 nan 0.000 0.464 323 K N 0.739 121.078 120.400 -0.101 0.000 2.477 323 K HA 0.395 4.729 4.320 0.024 0.000 0.255 323 K C -1.513 175.045 176.600 -0.071 0.000 0.952 323 K CA -0.970 55.273 56.287 -0.072 0.000 0.826 323 K CB 0.908 33.372 32.500 -0.061 0.000 1.331 323 K HN 0.038 nan 8.250 nan 0.000 0.437 324 D N 1.491 121.841 120.400 -0.083 0.000 2.478 324 D HA -0.008 4.647 4.640 0.024 0.000 0.234 324 D C -0.386 175.798 176.300 -0.193 0.000 1.154 324 D CA 0.572 54.497 54.000 -0.125 0.000 0.874 324 D CB 0.690 41.416 40.800 -0.124 0.000 1.198 324 D HN 0.237 nan 8.370 nan 0.000 0.455 325 L N 3.324 124.380 121.223 -0.278 0.000 2.280 325 L HA 0.412 4.766 4.340 0.024 0.000 0.287 325 L C -0.333 176.239 176.870 -0.497 0.000 1.023 325 L CA -0.501 54.066 54.840 -0.454 0.000 0.819 325 L CB 0.702 42.409 42.059 -0.587 0.000 1.212 325 L HN 0.179 nan 8.230 nan 0.000 0.420 326 I N 3.638 123.838 120.570 -0.617 0.000 2.465 326 I HA 0.571 4.755 4.170 0.024 0.000 0.291 326 I C -0.193 175.479 176.117 -0.742 0.000 1.014 326 I CA -0.445 60.430 61.300 -0.708 0.000 1.093 326 I CB 2.101 39.586 38.000 -0.858 0.000 1.267 326 I HN 0.554 nan 8.210 nan 0.000 0.431 327 A N 5.375 127.872 122.820 -0.538 0.000 2.343 327 A HA 0.719 5.054 4.320 0.024 0.000 0.316 327 A C -0.839 176.720 177.584 -0.042 0.000 1.104 327 A CA -0.473 51.398 52.037 -0.275 0.000 0.768 327 A CB 1.494 20.286 19.000 -0.346 0.000 1.213 327 A HN 0.763 nan 8.150 nan 0.000 0.456 328 E N 2.276 122.560 120.200 0.141 0.000 2.248 328 E HA 0.679 5.044 4.350 0.024 0.000 0.267 328 E C -1.438 175.310 176.600 0.247 0.000 0.877 328 E CA -0.489 56.039 56.400 0.214 0.000 0.759 328 E CB 1.392 31.254 29.700 0.271 0.000 1.182 328 E HN 0.643 nan 8.360 nan 0.000 0.418 329 I N 2.542 123.246 120.570 0.224 0.000 2.740 329 I HA 0.355 4.540 4.170 0.024 0.000 0.303 329 I C -0.787 175.468 176.117 0.230 0.000 1.044 329 I CA -0.950 60.492 61.300 0.238 0.000 1.064 329 I CB 2.088 40.200 38.000 0.186 0.000 1.249 329 I HN 0.467 nan 8.210 nan 0.000 0.433 330 Q N 3.189 123.147 119.800 0.263 0.000 2.359 330 Q HA 0.382 4.737 4.340 0.024 0.000 0.274 330 Q C -0.986 175.144 176.000 0.216 0.000 1.074 330 Q CA -0.831 55.094 55.803 0.204 0.000 0.810 330 Q CB 2.640 31.449 28.738 0.117 0.000 1.342 330 Q HN 0.336 nan 8.270 nan 0.000 0.427 331 K N 1.681 122.116 120.400 0.059 0.000 2.266 331 K HA 0.144 4.478 4.320 0.024 0.000 0.274 331 K C 0.160 176.642 176.600 -0.198 0.000 1.090 331 K CA 0.053 56.173 56.287 -0.280 0.000 0.925 331 K CB 0.644 32.855 32.500 -0.482 0.000 1.225 331 K HN 0.663 nan 8.250 nan 0.000 0.458 332 Q N 2.376 122.070 119.800 -0.178 0.000 2.444 332 Q HA 0.080 4.435 4.340 0.024 0.000 0.206 332 Q C -0.042 175.878 176.000 -0.134 0.000 0.948 332 Q CA 0.342 56.080 55.803 -0.108 0.000 0.946 332 Q CB 0.438 29.140 28.738 -0.060 0.000 1.027 332 Q HN 0.916 nan 8.270 nan 0.000 0.513 333 G N -0.166 108.500 108.800 -0.223 0.000 2.313 333 G HA2 -0.041 3.934 3.960 0.024 0.000 0.296 333 G HA3 -0.041 3.934 3.960 0.024 0.000 0.296 333 G C -1.859 172.876 174.900 -0.275 0.000 1.356 333 G CA -0.943 44.047 45.100 -0.184 0.000 0.833 333 G HN 0.136 nan 8.290 nan 0.000 0.552 334 Q N -0.078 119.604 119.800 -0.196 0.000 2.274 334 Q HA 0.406 4.761 4.340 0.024 0.000 0.280 334 Q C 1.460 177.334 176.000 -0.211 0.000 1.047 334 Q CA 1.473 57.153 55.803 -0.204 0.000 0.907 334 Q CB 0.253 28.901 28.738 -0.150 0.000 1.171 334 Q HN 2.313 nan 8.270 nan 0.000 0.381 335 G N 3.213 111.865 108.800 -0.247 0.000 2.196 335 G HA2 -0.319 3.655 3.960 0.024 0.000 0.268 335 G HA3 -0.319 3.655 3.960 0.024 0.000 0.268 335 G C -0.159 174.654 174.900 -0.146 0.000 0.975 335 G CA 0.599 45.649 45.100 -0.084 0.000 0.648 335 G HN 0.642 nan 8.290 nan 0.000 0.538 336 Q N -0.946 118.615 119.800 -0.399 0.000 2.307 336 Q HA 0.578 4.933 4.340 0.024 0.000 0.262 336 Q C -0.935 174.822 176.000 -0.404 0.000 0.961 336 Q CA -0.624 55.044 55.803 -0.224 0.000 0.882 336 Q CB 1.124 29.776 28.738 -0.143 0.000 1.264 336 Q HN 0.412 nan 8.270 nan 0.000 0.446 337 W N 0.973 122.322 121.300 0.083 0.000 2.915 337 W HA 0.472 5.148 4.660 0.027 0.000 0.337 337 W C -0.256 176.302 176.519 0.064 0.000 1.102 337 W CA -0.672 56.727 57.345 0.090 0.000 1.224 337 W CB 1.809 31.353 29.460 0.141 0.000 1.416 337 W HN 0.455 nan 8.180 nan 0.000 0.503 338 T N -0.327 114.394 114.554 0.278 0.000 2.893 338 T HA 0.820 5.185 4.350 0.024 0.000 0.291 338 T C -1.273 173.538 174.700 0.185 0.000 1.028 338 T CA -0.723 61.444 62.100 0.112 0.000 0.995 338 T CB 1.854 70.740 68.868 0.030 0.000 1.051 338 T HN 0.552 nan 8.240 nan 0.000 0.470 339 Y N -0.164 120.134 120.300 -0.002 0.000 2.597 339 Y HA 0.749 5.313 4.550 0.022 0.000 0.340 339 Y C -1.362 174.563 175.900 0.042 0.000 1.097 339 Y CA -1.258 56.862 58.100 0.034 0.000 1.037 339 Y CB 1.742 40.213 38.460 0.020 0.000 1.305 339 Y HN 0.851 nan 8.280 nan 0.000 0.463 340 Q N 3.362 123.302 119.800 0.233 0.000 2.315 340 Q HA 0.599 4.954 4.340 0.024 0.000 0.273 340 Q C -1.827 174.362 176.000 0.315 0.000 1.053 340 Q CA -0.802 55.120 55.803 0.198 0.000 0.817 340 Q CB 3.043 31.886 28.738 0.175 0.000 1.326 340 Q HN 0.927 nan 8.270 nan 0.000 0.423 341 I N 3.370 124.112 120.570 0.287 0.000 2.389 341 I HA 0.504 4.689 4.170 0.024 0.000 0.288 341 I C -0.962 175.244 176.117 0.149 0.000 0.999 341 I CA -0.943 60.429 61.300 0.120 0.000 1.129 341 I CB 0.918 39.013 38.000 0.159 0.000 1.288 341 I HN 0.677 nan 8.210 nan 0.000 0.444 342 Y N 3.002 123.291 120.300 -0.018 0.000 2.669 342 Y HA 0.574 5.138 4.550 0.023 0.000 0.335 342 Y C 0.053 175.904 175.900 -0.082 0.000 1.116 342 Y CA -0.917 57.173 58.100 -0.017 0.000 1.081 342 Y CB 1.166 39.637 38.460 0.019 0.000 1.297 342 Y HN 0.402 nan 8.280 nan 0.000 0.484 343 Q N -0.315 119.588 119.800 0.172 0.000 2.369 343 Q HA 0.285 4.640 4.340 0.024 0.000 0.254 343 Q C -0.838 175.261 176.000 0.164 0.000 0.858 343 Q CA 0.235 56.071 55.803 0.054 0.000 0.961 343 Q CB 1.251 30.001 28.738 0.020 0.000 1.119 343 Q HN 0.722 nan 8.270 nan 0.000 0.538 344 E N 1.506 121.831 120.200 0.209 0.000 2.218 344 E HA 0.288 4.652 4.350 0.024 0.000 0.263 344 E C -2.688 173.855 176.600 -0.094 0.000 0.879 344 E CA -2.336 54.100 56.400 0.059 0.000 0.762 344 E CB 1.954 31.646 29.700 -0.014 0.000 1.166 344 E HN -0.147 nan 8.360 nan 0.000 0.415 345 P HA -0.173 nan 4.420 nan 0.000 0.252 345 P C -0.581 176.342 177.300 -0.627 0.000 1.126 345 P CA 1.316 63.962 63.100 -0.756 0.000 0.777 345 P CB -0.363 30.813 31.700 -0.873 0.000 0.711 346 F N 0.486 120.166 119.950 -0.449 0.000 2.844 346 F HA -0.251 4.290 4.527 0.023 0.000 0.288 346 F C 0.480 176.169 175.800 -0.184 0.000 0.732 346 F CA 0.136 57.978 58.000 -0.263 0.000 1.378 346 F CB -1.604 37.297 39.000 -0.165 0.000 1.597 346 F HN 0.354 nan 8.300 nan 0.000 0.376 347 K N 1.519 121.912 120.400 -0.012 0.000 2.753 347 K HA 0.246 4.580 4.320 0.024 0.000 0.185 347 K C -0.457 176.161 176.600 0.029 0.000 1.071 347 K CA -0.490 55.768 56.287 -0.048 0.000 0.999 347 K CB 0.701 33.172 32.500 -0.049 0.000 1.244 347 K HN 0.023 nan 8.250 nan 0.000 0.594 348 N N 2.566 121.295 118.700 0.048 0.000 2.530 348 N HA 0.100 4.855 4.740 0.024 0.000 0.273 348 N C 1.082 176.737 175.510 0.241 0.000 1.173 348 N CA -0.102 53.064 53.050 0.194 0.000 0.967 348 N CB 1.165 39.779 38.487 0.211 0.000 1.109 348 N HN 0.329 nan 8.380 nan 0.000 0.453 349 L N -0.739 120.688 121.223 0.341 0.000 2.375 349 L HA 0.310 4.665 4.340 0.024 0.000 0.215 349 L C 0.839 178.047 176.870 0.563 0.000 1.108 349 L CA 0.652 55.798 54.840 0.509 0.000 0.830 349 L CB -0.170 42.189 42.059 0.500 0.000 0.959 349 L HN 0.438 nan 8.230 nan 0.000 0.457 350 K N 0.199 120.857 120.400 0.431 0.000 2.587 350 K HA 0.498 4.833 4.320 0.024 0.000 0.276 350 K C -1.296 175.418 176.600 0.189 0.000 0.956 350 K CA -0.293 56.189 56.287 0.325 0.000 0.857 350 K CB 2.323 35.026 32.500 0.339 0.000 1.431 350 K HN 0.072 nan 8.250 nan 0.000 0.420 351 T N -1.253 113.301 114.554 0.000 0.000 2.843 351 T HA 0.890 5.254 4.350 0.024 0.000 0.302 351 T C -0.329 173.984 174.700 -0.645 0.000 1.232 351 T CA -0.494 61.415 62.100 -0.318 0.000 1.009 351 T CB 1.953 70.724 68.868 -0.163 0.000 1.254 351 T HN 0.813 nan 8.240 nan 0.000 0.504 352 G N 0.231 108.370 108.800 -1.103 0.000 2.356 352 G HA2 0.621 4.596 3.960 0.024 0.000 0.294 352 G HA3 0.621 4.596 3.960 0.024 0.000 0.294 352 G C -2.148 172.278 174.900 -0.789 0.000 1.423 352 G CA -0.795 43.758 45.100 -0.911 0.000 0.806 352 G HN 1.031 nan 8.290 nan 0.000 0.527 353 K N -1.230 118.899 120.400 -0.451 0.000 2.512 353 K HA 0.748 5.083 4.320 0.024 0.000 0.263 353 K C -2.021 174.468 176.600 -0.186 0.000 0.966 353 K CA -1.085 55.056 56.287 -0.244 0.000 0.851 353 K CB 2.221 34.663 32.500 -0.098 0.000 1.395 353 K HN 0.390 nan 8.250 nan 0.000 0.440 354 Y N 0.802 121.210 120.300 0.181 0.000 2.328 354 Y HA 0.464 5.028 4.550 0.023 0.000 0.336 354 Y C 0.232 176.214 175.900 0.137 0.000 0.960 354 Y CA -0.912 57.281 58.100 0.155 0.000 1.134 354 Y CB 1.945 40.508 38.460 0.171 0.000 1.166 354 Y HN 0.884 nan 8.280 nan 0.000 0.464 355 A N 3.561 126.530 122.820 0.248 0.000 2.586 355 A HA 0.011 4.346 4.320 0.024 0.000 0.231 355 A C 0.893 178.566 177.584 0.148 0.000 1.055 355 A CA -0.370 51.755 52.037 0.146 0.000 0.756 355 A CB -0.023 19.038 19.000 0.102 0.000 0.988 355 A HN 0.878 nan 8.150 nan 0.000 0.509 356 R N 3.354 123.909 120.500 0.091 0.000 2.842 356 R HA 0.062 4.417 4.340 0.024 0.000 0.260 356 R C 0.169 176.512 176.300 0.071 0.000 1.495 356 R CA 0.072 56.214 56.100 0.070 0.000 1.024 356 R CB -0.827 29.484 30.300 0.019 0.000 1.147 356 R HN 0.703 nan 8.270 nan 0.000 0.553 357 M N 3.423 123.083 119.600 0.101 0.000 2.260 357 M HA 0.063 4.558 4.480 0.024 0.000 0.348 357 M C -0.296 176.034 176.300 0.050 0.000 1.342 357 M CA 1.009 56.347 55.300 0.064 0.000 1.040 357 M CB 0.299 32.934 32.600 0.059 0.000 1.810 357 M HN 0.259 nan 8.290 nan 0.000 0.453 358 R N 2.634 123.150 120.500 0.027 0.000 2.388 358 R HA 0.576 4.931 4.340 0.024 0.000 0.314 358 R C 0.170 176.472 176.300 0.003 0.000 0.959 358 R CA -0.508 55.601 56.100 0.016 0.000 0.851 358 R CB 1.685 31.991 30.300 0.009 0.000 1.168 358 R HN 0.958 nan 8.270 nan 0.000 0.472 359 G N 0.587 109.387 108.800 -0.001 0.000 2.641 359 G HA2 0.428 4.403 3.960 0.024 0.000 0.239 359 G HA3 0.428 4.403 3.960 0.024 0.000 0.239 359 G C 0.432 175.293 174.900 -0.065 0.000 1.402 359 G CA -0.076 45.003 45.100 -0.035 0.000 1.046 359 G HN 0.516 nan 8.290 nan 0.000 0.565 360 A N -1.638 121.078 122.820 -0.173 0.000 2.063 360 A HA 0.470 4.805 4.320 0.024 0.000 0.211 360 A C 0.470 177.933 177.584 -0.203 0.000 1.177 360 A CA 1.566 53.471 52.037 -0.221 0.000 0.759 360 A CB -0.282 18.502 19.000 -0.359 0.000 0.857 360 A HN 1.331 nan 8.150 nan 0.000 0.468 361 H N -4.019 115.088 119.070 0.062 0.000 3.249 361 H HA 0.533 5.103 4.556 0.024 0.000 0.327 361 H C -0.760 174.638 175.328 0.117 0.000 1.498 361 H CA -0.051 56.043 56.048 0.076 0.000 1.637 361 H CB -0.460 29.336 29.762 0.057 0.000 2.475 361 H HN 0.090 nan 8.280 nan 0.000 0.370 362 T N 1.509 116.203 114.554 0.232 0.000 2.618 362 T HA 0.647 5.012 4.350 0.024 0.000 0.293 362 T C -1.408 173.401 174.700 0.182 0.000 1.093 362 T CA -0.332 61.904 62.100 0.227 0.000 1.061 362 T CB 1.428 70.383 68.868 0.146 0.000 1.498 362 T HN 1.075 nan 8.240 nan 0.000 0.494 363 N N -0.356 118.423 118.700 0.132 0.000 2.525 363 N HA 0.447 5.201 4.740 0.024 0.000 0.270 363 N C -0.254 175.269 175.510 0.021 0.000 1.321 363 N CA -0.623 52.470 53.050 0.073 0.000 0.797 363 N CB 0.878 39.403 38.487 0.062 0.000 1.529 363 N HN 0.319 nan 8.380 nan 0.000 0.491 364 D N 0.053 120.498 120.400 0.075 0.000 2.104 364 D HA -0.115 4.540 4.640 0.024 0.000 0.194 364 D C 1.724 178.031 176.300 0.013 0.000 0.994 364 D CA 1.317 55.417 54.000 0.166 0.000 0.830 364 D CB -0.291 40.671 40.800 0.270 0.000 0.959 364 D HN 0.376 nan 8.370 nan 0.000 0.452 365 V N 0.972 120.712 119.914 -0.289 0.000 2.287 365 V HA -0.292 3.843 4.120 0.024 0.000 0.248 365 V C 2.352 178.022 176.094 -0.706 0.000 1.053 365 V CA 1.787 63.735 62.300 -0.586 0.000 1.027 365 V CB -0.554 30.576 31.823 -1.155 0.000 0.646 365 V HN 0.114 nan 8.190 nan 0.000 0.447 366 K N 0.596 120.527 120.400 -0.782 0.000 1.991 366 K HA -0.216 4.119 4.320 0.024 0.000 0.212 366 K C 2.224 178.655 176.600 -0.283 0.000 1.049 366 K CA 1.850 57.849 56.287 -0.480 0.000 0.932 366 K CB -0.670 31.711 32.500 -0.199 0.000 0.717 366 K HN 0.499 nan 8.250 nan 0.000 0.441 367 Q N -0.274 119.436 119.800 -0.149 0.000 2.152 367 Q HA -0.200 4.155 4.340 0.024 0.000 0.206 367 Q C 2.035 177.719 176.000 -0.527 0.000 0.985 367 Q CA 1.698 57.439 55.803 -0.104 0.000 0.863 367 Q CB -0.316 28.604 28.738 0.304 0.000 0.904 367 Q HN 0.297 nan 8.270 nan 0.000 0.422 368 L N 0.258 121.090 121.223 -0.652 0.000 2.017 368 L HA -0.169 4.186 4.340 0.024 0.000 0.208 368 L C 2.259 178.629 176.870 -0.833 0.000 1.073 368 L CA 2.029 56.203 54.840 -1.110 0.000 0.745 368 L CB -1.001 40.660 42.059 -0.662 0.000 0.894 368 L HN 0.070 nan 8.230 nan 0.000 0.432 369 T N -0.521 113.674 114.554 -0.598 0.000 2.759 369 T HA -0.190 4.174 4.350 0.024 0.000 0.269 369 T C 1.697 176.115 174.700 -0.471 0.000 1.042 369 T CA 1.771 63.563 62.100 -0.513 0.000 1.140 369 T CB -0.123 68.590 68.868 -0.258 0.000 0.864 369 T HN 0.512 nan 8.240 nan 0.000 0.455 370 E N 0.657 120.604 120.200 -0.423 0.000 2.028 370 E HA -0.039 4.326 4.350 0.024 0.000 0.191 370 E C 2.637 178.958 176.600 -0.466 0.000 0.988 370 E CA 0.918 57.098 56.400 -0.367 0.000 0.799 370 E CB -0.262 29.265 29.700 -0.288 0.000 0.755 370 E HN 0.474 nan 8.360 nan 0.000 0.447 371 A N 1.436 123.900 122.820 -0.593 0.000 1.903 371 A HA -0.218 4.117 4.320 0.024 0.000 0.219 371 A C 2.579 179.900 177.584 -0.439 0.000 1.191 371 A CA 1.775 53.491 52.037 -0.535 0.000 0.638 371 A CB -1.022 17.565 19.000 -0.688 0.000 0.823 371 A HN 0.133 nan 8.150 nan 0.000 0.451 372 V N 0.905 120.459 119.914 -0.600 0.000 2.332 372 V HA -0.363 3.771 4.120 0.024 0.000 0.248 372 V C 2.840 178.640 176.094 -0.490 0.000 1.055 372 V CA 2.572 64.424 62.300 -0.746 0.000 1.038 372 V CB -1.082 30.081 31.823 -1.100 0.000 0.651 372 V HN 0.938 nan 8.190 nan 0.000 0.450 373 Q N 0.880 120.438 119.800 -0.402 0.000 2.123 373 Q HA -0.168 4.187 4.340 0.024 0.000 0.199 373 Q C 1.942 177.821 176.000 -0.201 0.000 0.966 373 Q CA 1.713 57.362 55.803 -0.256 0.000 0.845 373 Q CB -0.509 28.103 28.738 -0.210 0.000 0.907 373 Q HN 0.542 nan 8.270 nan 0.000 0.439 374 K N 0.752 120.990 120.400 -0.269 0.000 2.002 374 K HA -0.049 4.285 4.320 0.024 0.000 0.209 374 K C 2.184 178.709 176.600 -0.126 0.000 1.048 374 K CA 1.701 57.838 56.287 -0.250 0.000 0.930 374 K CB -0.360 31.827 32.500 -0.523 0.000 0.714 374 K HN 0.217 nan 8.250 nan 0.000 0.438 375 I N 1.468 121.973 120.570 -0.108 0.000 2.145 375 I HA -0.350 3.834 4.170 0.024 0.000 0.244 375 I C 2.250 178.365 176.117 -0.004 0.000 1.075 375 I CA 1.628 62.867 61.300 -0.100 0.000 1.332 375 I CB -0.958 36.994 38.000 -0.080 0.000 1.033 375 I HN 0.287 nan 8.210 nan 0.000 0.410 376 T N -0.030 114.555 114.554 0.052 0.000 2.622 376 T HA -0.207 4.157 4.350 0.024 0.000 0.266 376 T C 1.899 176.607 174.700 0.013 0.000 1.047 376 T CA 2.244 64.385 62.100 0.069 0.000 1.159 376 T CB -0.600 68.298 68.868 0.049 0.000 0.863 376 T HN 0.361 nan 8.240 nan 0.000 0.422 377 T N 1.411 115.950 114.554 -0.026 0.000 2.737 377 T HA -0.153 4.211 4.350 0.024 0.000 0.269 377 T C 1.914 176.584 174.700 -0.050 0.000 1.040 377 T CA 1.678 63.758 62.100 -0.035 0.000 1.142 377 T CB -0.314 68.522 68.868 -0.053 0.000 0.861 377 T HN 0.581 nan 8.240 nan 0.000 0.456 378 E N 0.875 121.037 120.200 -0.063 0.000 2.012 378 E HA -0.170 4.195 4.350 0.024 0.000 0.197 378 E C 2.344 178.852 176.600 -0.153 0.000 1.007 378 E CA 1.767 58.101 56.400 -0.110 0.000 0.816 378 E CB -0.118 29.520 29.700 -0.104 0.000 0.762 378 E HN 0.512 nan 8.360 nan 0.000 0.451 379 S N 1.015 116.689 115.700 -0.043 0.000 2.374 379 S HA -0.193 4.292 4.470 0.024 0.000 0.227 379 S C 1.961 176.597 174.600 0.061 0.000 1.037 379 S CA 1.219 59.489 58.200 0.118 0.000 1.024 379 S CB -0.366 63.078 63.200 0.406 0.000 0.861 379 S HN 0.291 nan 8.310 nan 0.000 0.456 380 I N 1.678 122.266 120.570 0.031 0.000 2.399 380 I HA -0.119 4.065 4.170 0.024 0.000 0.254 380 I C 2.137 178.236 176.117 -0.030 0.000 1.146 380 I CA 0.829 62.142 61.300 0.020 0.000 1.412 380 I CB -1.469 36.538 38.000 0.012 0.000 1.076 380 I HN 0.213 nan 8.210 nan 0.000 0.432 381 V N 0.317 120.171 119.914 -0.100 0.000 2.403 381 V HA -0.080 4.055 4.120 0.024 0.000 0.239 381 V C 2.442 178.373 176.094 -0.271 0.000 1.041 381 V CA 0.643 62.855 62.300 -0.147 0.000 1.051 381 V CB -0.306 31.429 31.823 -0.147 0.000 0.704 381 V HN 0.089 nan 8.190 nan 0.000 0.472 382 I N -0.574 119.695 120.570 -0.502 0.000 2.151 382 I HA -0.236 3.948 4.170 0.024 0.000 0.243 382 I C 2.031 177.562 176.117 -0.977 0.000 1.080 382 I CA 2.115 62.831 61.300 -0.974 0.000 1.339 382 I CB -0.925 35.903 38.000 -1.953 0.000 1.039 382 I HN 0.484 nan 8.210 nan 0.000 0.409 383 W N -0.018 121.151 121.300 -0.218 0.000 2.714 383 W HA 0.411 5.085 4.660 0.024 0.000 0.353 383 W C 1.344 177.795 176.519 -0.113 0.000 0.999 383 W CA 0.371 57.556 57.345 -0.266 0.000 1.629 383 W CB -0.442 28.730 29.460 -0.479 0.000 1.106 383 W HN 0.358 nan 8.180 nan 0.000 0.545 384 G N 2.608 111.467 108.800 0.099 0.000 2.283 384 G HA2 -0.324 3.651 3.960 0.024 0.000 0.280 384 G HA3 -0.324 3.651 3.960 0.024 0.000 0.280 384 G C 0.051 175.012 174.900 0.103 0.000 1.029 384 G CA 0.900 46.047 45.100 0.079 0.000 0.840 384 G HN 0.274 nan 8.290 nan 0.000 0.505 385 K N -1.243 119.233 120.400 0.128 0.000 2.556 385 K HA 0.571 4.905 4.320 0.024 0.000 0.274 385 K C -0.751 175.879 176.600 0.051 0.000 0.966 385 K CA -0.824 55.511 56.287 0.080 0.000 0.865 385 K CB 1.575 34.112 32.500 0.062 0.000 1.444 385 K HN 0.039 nan 8.250 nan 0.000 0.433 386 T N 2.756 117.308 114.554 -0.003 0.000 2.824 386 T HA 0.411 4.776 4.350 0.024 0.000 0.280 386 T C -2.435 172.156 174.700 -0.183 0.000 0.995 386 T CA -1.449 60.621 62.100 -0.050 0.000 1.009 386 T CB 1.303 70.172 68.868 0.001 0.000 0.955 386 T HN 0.250 nan 8.240 nan 0.000 0.452 387 P HA 0.318 nan 4.420 nan 0.000 0.274 387 P C -0.590 176.342 177.300 -0.612 0.000 1.246 387 P CA -0.726 62.034 63.100 -0.567 0.000 0.795 387 P CB 0.594 31.826 31.700 -0.781 0.000 1.006 388 K N 1.205 121.312 120.400 -0.490 0.000 2.227 388 K HA 0.358 4.693 4.320 0.024 0.000 0.280 388 K C -0.571 175.805 176.600 -0.374 0.000 1.041 388 K CA -0.229 55.876 56.287 -0.304 0.000 0.905 388 K CB 0.342 32.730 32.500 -0.188 0.000 1.068 388 K HN 0.335 nan 8.250 nan 0.000 0.470 389 F N 2.276 122.195 119.950 -0.051 0.000 2.404 389 F HA 0.222 4.762 4.527 0.022 0.000 0.345 389 F C 0.736 176.583 175.800 0.079 0.000 1.110 389 F CA -0.416 57.567 58.000 -0.028 0.000 1.130 389 F CB 1.033 39.974 39.000 -0.097 0.000 1.129 389 F HN 0.140 nan 8.300 nan 0.000 0.500 390 K N 5.900 126.449 120.400 0.249 0.000 2.404 390 K HA 0.495 4.830 4.320 0.024 0.000 0.257 390 K C -1.203 175.538 176.600 0.236 0.000 1.026 390 K CA -0.349 56.072 56.287 0.222 0.000 0.951 390 K CB 1.211 33.798 32.500 0.144 0.000 1.203 390 K HN 0.532 nan 8.250 nan 0.000 0.446 391 L N 4.210 125.611 121.223 0.296 0.000 2.346 391 L HA 0.413 4.768 4.340 0.024 0.000 0.276 391 L C -1.879 175.159 176.870 0.279 0.000 1.006 391 L CA -2.245 52.701 54.840 0.177 0.000 0.817 391 L CB 1.830 43.802 42.059 -0.145 0.000 1.272 391 L HN 0.350 nan 8.230 nan 0.000 0.421 392 P HA 0.127 nan 4.420 nan 0.000 0.238 392 P C -0.539 176.964 177.300 0.338 0.000 1.714 392 P CA 0.567 63.833 63.100 0.275 0.000 0.908 392 P CB 0.137 31.955 31.700 0.197 0.000 1.893 393 I N -0.667 120.169 120.570 0.444 0.000 2.644 393 I HA 0.231 4.416 4.170 0.024 0.000 0.291 393 I C -0.864 175.383 176.117 0.216 0.000 1.180 393 I CA -1.022 60.426 61.300 0.247 0.000 1.040 393 I CB 2.833 40.860 38.000 0.045 0.000 1.255 393 I HN -0.181 nan 8.210 nan 0.000 0.422 394 Q N 5.759 125.426 119.800 -0.222 0.000 2.332 394 Q HA 0.172 4.527 4.340 0.024 0.000 0.263 394 Q C 0.712 176.745 176.000 0.056 0.000 0.979 394 Q CA -0.370 55.110 55.803 -0.538 0.000 0.885 394 Q CB 1.271 29.686 28.738 -0.538 0.000 1.218 394 Q HN 0.471 nan 8.270 nan 0.000 0.405 395 K N 2.174 122.621 120.400 0.079 0.000 2.160 395 K HA -0.264 4.071 4.320 0.024 0.000 0.206 395 K C 1.472 178.239 176.600 0.278 0.000 1.047 395 K CA 1.474 57.925 56.287 0.274 0.000 0.930 395 K CB 0.096 32.600 32.500 0.007 0.000 0.720 395 K HN 0.697 nan 8.250 nan 0.000 0.450 396 E N 0.284 120.545 120.200 0.101 0.000 2.031 396 E HA -0.147 4.218 4.350 0.024 0.000 0.193 396 E C 1.673 178.350 176.600 0.128 0.000 0.994 396 E CA 1.760 58.211 56.400 0.086 0.000 0.800 396 E CB 0.107 29.813 29.700 0.010 0.000 0.752 396 E HN 0.222 nan 8.360 nan 0.000 0.447 397 T N 1.154 115.778 114.554 0.116 0.000 2.635 397 T HA -0.245 4.120 4.350 0.024 0.000 0.267 397 T C 1.304 176.157 174.700 0.255 0.000 1.040 397 T CA 1.500 63.678 62.100 0.132 0.000 1.156 397 T CB -0.761 68.155 68.868 0.080 0.000 0.863 397 T HN 0.476 nan 8.240 nan 0.000 0.430 398 W N 1.989 123.411 121.300 0.204 0.000 2.317 398 W HA -0.247 4.425 4.660 0.021 0.000 0.318 398 W C 2.217 179.016 176.519 0.467 0.000 1.227 398 W CA 1.905 59.444 57.345 0.324 0.000 1.269 398 W CB -0.315 29.401 29.460 0.427 0.000 1.155 398 W HN 0.301 nan 8.180 nan 0.000 0.484 399 E N -0.021 120.316 120.200 0.228 0.000 2.153 399 E HA -0.167 4.198 4.350 0.024 0.000 0.194 399 E C 2.159 178.675 176.600 -0.140 0.000 0.988 399 E CA 2.394 58.821 56.400 0.045 0.000 0.811 399 E CB -0.430 29.358 29.700 0.145 0.000 0.746 399 E HN 0.049 nan 8.360 nan 0.000 0.466 400 T N -0.591 113.953 114.554 -0.017 0.000 2.668 400 T HA -0.148 4.217 4.350 0.024 0.000 0.262 400 T C 1.112 175.791 174.700 -0.035 0.000 1.045 400 T CA 1.366 63.447 62.100 -0.032 0.000 1.152 400 T CB -0.542 68.349 68.868 0.039 0.000 0.864 400 T HN 0.430 nan 8.240 nan 0.000 0.419 401 W N 0.780 121.991 121.300 -0.150 0.000 2.353 401 W HA -0.135 4.543 4.660 0.030 0.000 0.319 401 W C 2.199 178.602 176.519 -0.194 0.000 1.207 401 W CA 1.453 58.711 57.345 -0.144 0.000 1.291 401 W CB -0.748 28.634 29.460 -0.131 0.000 1.159 401 W HN 0.438 nan 8.180 nan 0.000 0.478 402 W N 1.252 122.267 121.300 -0.474 0.000 2.311 402 W HA -0.265 4.408 4.660 0.022 0.000 0.326 402 W C 2.493 178.705 176.519 -0.512 0.000 1.239 402 W CA 3.287 60.171 57.345 -0.768 0.000 1.258 402 W CB -1.545 27.212 29.460 -1.171 0.000 1.165 402 W HN -0.100 nan 8.180 nan 0.000 0.466 403 T N 0.695 114.480 114.554 -1.282 0.000 2.795 403 T HA -0.331 4.033 4.350 0.024 0.000 0.266 403 T C 1.430 175.754 174.700 -0.627 0.000 1.056 403 T CA 2.389 63.714 62.100 -1.293 0.000 1.141 403 T CB -0.415 67.857 68.868 -0.992 0.000 0.840 403 T HN 0.689 nan 8.240 nan 0.000 0.493 404 E N -1.960 117.958 120.200 -0.471 0.000 2.539 404 E HA 0.124 4.489 4.350 0.024 0.000 0.215 404 E C 0.251 176.692 176.600 -0.266 0.000 0.965 404 E CA -0.663 55.556 56.400 -0.302 0.000 1.019 404 E CB -0.240 29.327 29.700 -0.222 0.000 1.059 404 E HN 0.508 nan 8.360 nan 0.000 0.496 405 Y N 3.352 123.290 120.300 -0.603 0.000 2.610 405 Y HA -0.125 4.441 4.550 0.027 0.000 0.332 405 Y C 1.340 177.027 175.900 -0.355 0.000 1.201 405 Y CA -0.537 57.172 58.100 -0.652 0.000 1.465 405 Y CB 0.519 38.190 38.460 -1.316 0.000 1.283 405 Y HN 0.287 nan 8.280 nan 0.000 0.563 406 W N 4.522 125.406 121.300 -0.693 0.000 2.387 406 W HA -0.139 4.535 4.660 0.024 0.000 0.272 406 W C -0.466 175.865 176.519 -0.314 0.000 1.224 406 W CA 0.721 57.791 57.345 -0.459 0.000 1.210 406 W CB -0.311 28.870 29.460 -0.465 0.000 1.125 406 W HN 0.568 nan 8.180 nan 0.000 0.572 407 Q N 1.295 120.269 119.800 -1.376 0.000 2.316 407 Q HA 0.504 4.859 4.340 0.024 0.000 0.264 407 Q C -0.213 175.574 176.000 -0.355 0.000 0.987 407 Q CA -0.502 54.619 55.803 -1.137 0.000 0.852 407 Q CB 1.920 29.521 28.738 -1.895 0.000 1.287 407 Q HN 0.048 nan 8.270 nan 0.000 0.448 408 A N 3.172 125.871 122.820 -0.201 0.000 2.561 408 A HA 0.200 4.535 4.320 0.024 0.000 0.251 408 A C 0.052 177.643 177.584 0.012 0.000 1.062 408 A CA 0.875 52.888 52.037 -0.039 0.000 0.761 408 A CB 0.120 19.105 19.000 -0.025 0.000 0.986 408 A HN 0.689 nan 8.150 nan 0.000 0.510 409 T N 1.669 116.283 114.554 0.100 0.000 2.864 409 T HA 0.645 5.009 4.350 0.024 0.000 0.299 409 T C -1.747 173.113 174.700 0.266 0.000 1.166 409 T CA -0.380 61.826 62.100 0.176 0.000 1.007 409 T CB 0.963 69.987 68.868 0.261 0.000 1.219 409 T HN 1.274 nan 8.240 nan 0.000 0.506 410 W N 2.567 123.875 121.300 0.014 0.000 3.298 410 W HA 0.666 5.343 4.660 0.028 0.000 0.302 410 W C -2.629 173.748 176.519 -0.236 0.000 1.255 410 W CA -0.957 56.340 57.345 -0.080 0.000 1.196 410 W CB 0.873 30.261 29.460 -0.120 0.000 1.364 410 W HN 0.691 nan 8.180 nan 0.000 0.566 411 I N 5.761 125.607 120.570 -1.206 0.000 2.499 411 I HA 0.312 4.497 4.170 0.024 0.000 0.288 411 I C -1.979 173.138 176.117 -1.667 0.000 1.048 411 I CA -2.060 58.392 61.300 -1.415 0.000 1.062 411 I CB 2.141 39.183 38.000 -1.596 0.000 1.238 411 I HN 0.068 nan 8.210 nan 0.000 0.426 412 P HA -0.012 nan 4.420 nan 0.000 0.274 412 P C -0.357 176.818 177.300 -0.208 0.000 1.264 412 P CA -0.438 62.113 63.100 -0.914 0.000 0.795 412 P CB 0.405 31.854 31.700 -0.418 0.000 1.064 413 E N 1.285 121.484 120.200 -0.002 0.000 2.765 413 E HA -0.083 4.282 4.350 0.024 0.000 0.256 413 E C -0.924 175.804 176.600 0.212 0.000 0.935 413 E CA 0.613 57.063 56.400 0.084 0.000 0.954 413 E CB 0.034 29.761 29.700 0.045 0.000 0.908 413 E HN 0.363 nan 8.360 nan 0.000 0.500 414 W N 3.327 124.579 121.300 -0.079 0.000 3.025 414 W HA 0.479 5.150 4.660 0.018 0.000 0.343 414 W C -1.462 175.047 176.519 -0.017 0.000 1.246 414 W CA -0.915 56.407 57.345 -0.038 0.000 1.178 414 W CB 0.236 29.635 29.460 -0.102 0.000 1.463 414 W HN 0.551 nan 8.180 nan 0.000 0.578 415 E N 0.957 121.232 120.200 0.124 0.000 2.393 415 E HA 0.563 4.928 4.350 0.024 0.000 0.273 415 E C -1.824 174.926 176.600 0.250 0.000 0.918 415 E CA -0.831 55.525 56.400 -0.075 0.000 0.773 415 E CB 2.944 32.634 29.700 -0.017 0.000 1.275 415 E HN 0.188 nan 8.360 nan 0.000 0.451 416 F N 2.087 122.028 119.950 -0.016 0.000 2.418 416 F HA 0.454 4.988 4.527 0.011 0.000 0.341 416 F C -0.859 175.024 175.800 0.139 0.000 1.120 416 F CA -0.709 57.395 58.000 0.174 0.000 1.232 416 F CB 1.456 40.512 39.000 0.094 0.000 1.175 416 F HN 0.264 nan 8.300 nan 0.000 0.569 417 V N 7.226 126.854 119.914 -0.477 0.000 2.532 417 V HA 0.237 4.372 4.120 0.024 0.000 0.294 417 V C -0.797 174.834 176.094 -0.772 0.000 1.036 417 V CA -0.818 61.176 62.300 -0.509 0.000 0.876 417 V CB 1.202 32.969 31.823 -0.092 0.000 1.012 417 V HN 0.820 nan 8.190 nan 0.000 0.432 418 N N 4.270 122.421 118.700 -0.915 0.000 2.671 418 N HA 0.176 4.931 4.740 0.024 0.000 0.274 418 N C -0.404 175.019 175.510 -0.145 0.000 1.188 418 N CA 0.170 52.930 53.050 -0.484 0.000 1.065 418 N CB 0.400 38.722 38.487 -0.276 0.000 1.415 418 N HN 0.694 nan 8.380 nan 0.000 0.511 419 T N 3.832 118.352 114.554 -0.056 0.000 3.150 419 T HA 0.293 4.657 4.350 0.024 0.000 0.383 419 T C -2.445 172.278 174.700 0.039 0.000 1.313 419 T CA -1.024 61.075 62.100 -0.001 0.000 1.235 419 T CB 1.338 70.212 68.868 0.009 0.000 1.088 419 T HN 0.279 nan 8.240 nan 0.000 0.556 420 P HA 0.052 nan 4.420 nan 0.000 0.266 420 P C -2.225 175.097 177.300 0.037 0.000 1.180 420 P CA -0.725 62.403 63.100 0.047 0.000 0.765 420 P CB -0.051 31.672 31.700 0.038 0.000 0.806 421 P HA 0.178 nan 4.420 nan 0.000 0.281 421 P C -0.617 176.715 177.300 0.054 0.000 1.252 421 P CA -0.012 63.111 63.100 0.038 0.000 0.778 421 P CB 0.756 32.475 31.700 0.031 0.000 0.895 422 L N 2.454 123.711 121.223 0.058 0.000 2.453 422 L HA 0.280 4.635 4.340 0.024 0.000 0.261 422 L C 0.552 177.441 176.870 0.031 0.000 1.179 422 L CA -1.049 53.843 54.840 0.088 0.000 0.813 422 L CB 0.762 42.890 42.059 0.115 0.000 1.110 422 L HN 0.145 nan 8.230 nan 0.000 0.466 423 V N 2.191 122.144 119.914 0.066 0.000 2.385 423 V HA 0.247 4.382 4.120 0.024 0.000 0.269 423 V C -0.041 176.016 176.094 -0.062 0.000 1.043 423 V CA -0.349 61.977 62.300 0.042 0.000 0.906 423 V CB 0.937 32.843 31.823 0.139 0.000 0.995 423 V HN 0.800 nan 8.190 nan 0.000 0.467 424 K N 4.904 125.177 120.400 -0.212 0.000 2.283 424 K HA 0.710 5.045 4.320 0.024 0.000 0.257 424 K C -1.123 175.268 176.600 -0.349 0.000 1.066 424 K CA -0.934 55.178 56.287 -0.291 0.000 0.891 424 K CB 1.114 33.392 32.500 -0.372 0.000 1.438 424 K HN 0.289 nan 8.250 nan 0.000 0.464 425 L N 2.220 123.287 121.223 -0.260 0.000 2.282 425 L HA 0.290 4.644 4.340 0.024 0.000 0.287 425 L C -0.055 176.700 176.870 -0.191 0.000 1.075 425 L CA -0.521 54.222 54.840 -0.161 0.000 0.839 425 L CB 0.047 42.074 42.059 -0.054 0.000 1.219 425 L HN 0.621 nan 8.230 nan 0.000 0.434 426 W N 3.314 124.561 121.300 -0.088 0.000 2.538 426 W HA -0.090 4.586 4.660 0.027 0.000 0.254 426 W C 0.425 177.024 176.519 0.133 0.000 1.249 426 W CA 0.262 57.617 57.345 0.017 0.000 1.253 426 W CB -0.500 28.998 29.460 0.063 0.000 1.130 426 W HN 0.528 nan 8.180 nan 0.000 0.618 427 Y N -3.436 116.999 120.300 0.225 0.000 2.786 427 Y HA 0.376 4.941 4.550 0.024 0.000 0.365 427 Y C -1.319 174.668 175.900 0.145 0.000 1.171 427 Y CA -1.914 56.284 58.100 0.163 0.000 1.214 427 Y CB 0.275 38.836 38.460 0.169 0.000 1.411 427 Y HN -0.150 nan 8.280 nan 0.000 0.485 428 Q N 3.606 123.635 119.800 0.383 0.000 2.294 428 Q HA 0.489 4.844 4.340 0.024 0.000 0.264 428 Q C -1.286 174.889 176.000 0.292 0.000 0.992 428 Q CA -0.860 55.109 55.803 0.277 0.000 0.747 428 Q CB 2.725 31.553 28.738 0.150 0.000 1.262 428 Q HN 0.702 nan 8.270 nan 0.000 0.452 429 L N 2.300 123.710 121.223 0.312 0.000 2.485 429 L HA 0.041 4.396 4.340 0.024 0.000 0.275 429 L C 0.771 177.756 176.870 0.191 0.000 1.207 429 L CA -0.041 54.925 54.840 0.209 0.000 0.855 429 L CB 0.176 42.328 42.059 0.155 0.000 1.114 429 L HN 0.408 nan 8.230 nan 0.000 0.485 430 E N 2.258 122.592 120.200 0.222 0.000 2.442 430 E HA -0.063 4.301 4.350 0.024 0.000 0.262 430 E C 0.518 177.313 176.600 0.325 0.000 1.004 430 E CA 0.056 56.608 56.400 0.254 0.000 0.928 430 E CB 0.704 30.564 29.700 0.266 0.000 0.937 430 E HN 0.303 nan 8.360 nan 0.000 0.446 431 K N 1.258 121.765 120.400 0.178 0.000 2.288 431 K HA -0.011 4.323 4.320 0.024 0.000 0.201 431 K C 0.140 176.807 176.600 0.112 0.000 1.048 431 K CA 0.956 57.332 56.287 0.149 0.000 0.956 431 K CB 0.363 32.901 32.500 0.063 0.000 0.746 431 K HN 0.323 nan 8.250 nan 0.000 0.461 432 E N -0.769 119.381 120.200 -0.084 0.000 2.429 432 E HA 0.313 4.678 4.350 0.024 0.000 0.276 432 E C -2.733 173.217 176.600 -1.082 0.000 0.953 432 E CA -2.505 53.602 56.400 -0.488 0.000 0.787 432 E CB 1.301 30.850 29.700 -0.252 0.000 1.307 432 E HN -0.209 nan 8.360 nan 0.000 0.458 433 P HA 0.167 nan 4.420 nan 0.000 0.269 433 P C -0.074 177.016 177.300 -0.350 0.000 1.215 433 P CA 0.128 62.640 63.100 -0.982 0.000 0.780 433 P CB 0.513 31.919 31.700 -0.491 0.000 0.898 434 I N 1.792 122.289 120.570 -0.122 0.000 2.342 434 I HA 0.133 4.317 4.170 0.024 0.000 0.291 434 I C 0.501 176.605 176.117 -0.023 0.000 1.010 434 I CA -0.957 60.317 61.300 -0.043 0.000 1.308 434 I CB 1.087 39.102 38.000 0.024 0.000 1.400 434 I HN 0.006 nan 8.210 nan 0.000 0.488 435 V N 6.465 126.362 119.914 -0.029 0.000 2.572 435 V HA 0.266 4.401 4.120 0.024 0.000 0.291 435 V C 1.262 177.358 176.094 0.003 0.000 1.039 435 V CA 1.108 63.399 62.300 -0.015 0.000 1.055 435 V CB 0.465 32.276 31.823 -0.020 0.000 0.969 435 V HN 1.162 nan 8.190 nan 0.000 0.482 436 G N 3.992 112.798 108.800 0.010 0.000 2.267 436 G HA2 -0.182 3.792 3.960 0.024 0.000 0.257 436 G HA3 -0.182 3.792 3.960 0.024 0.000 0.257 436 G C 0.492 175.409 174.900 0.027 0.000 0.998 436 G CA 0.222 45.331 45.100 0.015 0.000 0.620 436 G HN 1.507 nan 8.290 nan 0.000 0.529 437 A N 0.442 123.284 122.820 0.036 0.000 2.401 437 A HA 0.632 4.967 4.320 0.024 0.000 0.259 437 A C 0.487 178.118 177.584 0.078 0.000 1.103 437 A CA 0.721 52.792 52.037 0.058 0.000 0.789 437 A CB 0.377 19.416 19.000 0.064 0.000 1.035 437 A HN 0.748 nan 8.150 nan 0.000 0.491 438 E N 0.940 121.198 120.200 0.098 0.000 2.459 438 E HA 0.122 4.487 4.350 0.024 0.000 0.264 438 E C -0.583 176.112 176.600 0.159 0.000 1.055 438 E CA 0.571 57.026 56.400 0.092 0.000 0.957 438 E CB 0.370 30.129 29.700 0.098 0.000 0.952 438 E HN 0.515 nan 8.360 nan 0.000 0.448 439 T N 4.821 119.435 114.554 0.100 0.000 2.893 439 T HA 0.286 4.650 4.350 0.024 0.000 0.324 439 T C -1.117 173.696 174.700 0.188 0.000 1.082 439 T CA -0.425 61.776 62.100 0.170 0.000 0.983 439 T CB -0.126 68.846 68.868 0.173 0.000 1.005 439 T HN 0.231 nan 8.240 nan 0.000 0.475 440 F N 2.752 122.705 119.950 0.005 0.000 2.424 440 F HA 0.359 4.901 4.527 0.026 0.000 0.356 440 F C 0.118 175.958 175.800 0.067 0.000 1.110 440 F CA -1.081 56.934 58.000 0.026 0.000 1.161 440 F CB 0.445 39.349 39.000 -0.160 0.000 1.115 440 F HN 0.486 nan 8.300 nan 0.000 0.507 441 Y N 3.508 123.915 120.300 0.178 0.000 2.594 441 Y HA 0.396 4.961 4.550 0.025 0.000 0.342 441 Y C 0.224 176.221 175.900 0.162 0.000 1.010 441 Y CA -1.094 57.078 58.100 0.120 0.000 1.270 441 Y CB 0.494 38.988 38.460 0.057 0.000 1.125 441 Y HN 0.385 nan 8.280 nan 0.000 0.513 442 V N -0.059 119.990 119.914 0.226 0.000 2.743 442 V HA 0.780 4.915 4.120 0.024 0.000 0.301 442 V C -0.553 175.615 176.094 0.124 0.000 1.057 442 V CA -0.374 62.051 62.300 0.208 0.000 1.006 442 V CB 1.970 33.893 31.823 0.167 0.000 1.024 442 V HN 0.592 nan 8.190 nan 0.000 0.473 443 D N 0.992 121.459 120.400 0.112 0.000 2.706 443 D HA 0.675 5.330 4.640 0.024 0.000 0.227 443 D C -0.544 175.788 176.300 0.053 0.000 1.233 443 D CA 0.477 54.514 54.000 0.061 0.000 0.768 443 D CB 1.954 42.778 40.800 0.041 0.000 1.490 443 D HN 1.172 nan 8.370 nan 0.000 0.458 444 G N 0.241 109.062 108.800 0.035 0.000 2.638 444 G HA2 0.820 4.794 3.960 0.024 0.000 0.302 444 G HA3 0.820 4.794 3.960 0.024 0.000 0.302 444 G C -1.484 173.428 174.900 0.019 0.000 1.365 444 G CA -0.350 44.767 45.100 0.029 0.000 0.987 444 G HN 0.584 nan 8.290 nan 0.000 0.495 445 A N 0.003 122.834 122.820 0.019 0.000 2.486 445 A HA 1.032 5.367 4.320 0.024 0.000 0.300 445 A C -0.435 177.159 177.584 0.016 0.000 1.048 445 A CA -0.126 51.924 52.037 0.022 0.000 0.696 445 A CB 1.874 20.891 19.000 0.029 0.000 1.278 445 A HN 2.345 nan 8.150 nan 0.000 0.405 446 A N 1.530 124.359 122.820 0.015 0.000 2.547 446 A HA 0.651 4.986 4.320 0.024 0.000 0.297 446 A C -0.751 176.839 177.584 0.010 0.000 1.056 446 A CA -0.676 51.367 52.037 0.009 0.000 0.688 446 A CB 1.023 20.024 19.000 0.002 0.000 1.282 446 A HN 0.857 nan 8.150 nan 0.000 0.400 447 N N 1.090 119.795 118.700 0.008 0.000 2.429 447 N HA -0.013 4.741 4.740 0.024 0.000 0.271 447 N C 1.147 176.660 175.510 0.005 0.000 1.272 447 N CA 0.072 53.127 53.050 0.008 0.000 0.921 447 N CB 0.508 38.999 38.487 0.005 0.000 1.128 447 N HN 0.665 nan 8.380 nan 0.000 0.481 448 R N 3.023 123.528 120.500 0.007 0.000 2.162 448 R HA -0.236 4.118 4.340 0.024 0.000 0.245 448 R C 1.516 177.817 176.300 0.003 0.000 1.129 448 R CA 2.313 58.416 56.100 0.006 0.000 0.940 448 R CB -0.139 30.166 30.300 0.008 0.000 0.875 448 R HN 0.713 nan 8.270 nan 0.000 0.437 449 E N -1.438 118.764 120.200 0.003 0.000 2.112 449 E HA -0.094 4.270 4.350 0.024 0.000 0.190 449 E C 1.913 178.514 176.600 0.001 0.000 0.979 449 E CA 1.509 57.910 56.400 0.002 0.000 0.814 449 E CB -0.141 29.560 29.700 0.003 0.000 0.762 449 E HN 0.589 nan 8.360 nan 0.000 0.460 450 T N -0.856 113.699 114.554 0.002 0.000 2.904 450 T HA -0.073 4.291 4.350 0.024 0.000 0.267 450 T C 0.915 175.615 174.700 0.000 0.000 1.059 450 T CA 0.563 62.664 62.100 0.001 0.000 1.137 450 T CB -0.125 68.744 68.868 0.002 0.000 0.879 450 T HN 0.013 nan 8.240 nan 0.000 0.467 451 K N 0.637 121.037 120.400 -0.001 0.000 3.200 451 K HA -0.086 4.249 4.320 0.024 0.000 0.272 451 K C -0.845 175.754 176.600 -0.001 0.000 1.150 451 K CA 0.170 56.456 56.287 -0.003 0.000 0.801 451 K CB -2.105 30.393 32.500 -0.004 0.000 1.269 451 K HN 0.506 nan 8.250 nan 0.000 0.500 452 L N 0.070 121.294 121.223 0.000 0.000 2.385 452 L HA 0.713 5.068 4.340 0.024 0.000 0.273 452 L C 0.500 177.372 176.870 0.003 0.000 0.990 452 L CA -0.384 54.457 54.840 0.002 0.000 0.821 452 L CB 2.010 44.071 42.059 0.002 0.000 1.279 452 L HN 0.301 nan 8.230 nan 0.000 0.412 453 G N 2.671 111.473 108.800 0.004 0.000 2.619 453 G HA2 0.582 4.557 3.960 0.024 0.000 0.305 453 G HA3 0.582 4.557 3.960 0.024 0.000 0.305 453 G C -1.983 172.921 174.900 0.006 0.000 1.330 453 G CA -0.547 44.556 45.100 0.006 0.000 0.789 453 G HN 0.415 nan 8.290 nan 0.000 0.487 454 K N -1.253 119.152 120.400 0.008 0.000 2.509 454 K HA 0.819 5.154 4.320 0.024 0.000 0.266 454 K C -1.134 175.474 176.600 0.013 0.000 0.987 454 K CA -0.722 55.568 56.287 0.006 0.000 0.868 454 K CB 2.781 35.280 32.500 -0.001 0.000 1.421 454 K HN 1.054 nan 8.250 nan 0.000 0.444 455 A N 0.442 123.270 122.820 0.013 0.000 2.540 455 A HA 0.824 5.158 4.320 0.024 0.000 0.297 455 A C -0.973 176.620 177.584 0.015 0.000 1.056 455 A CA -0.153 51.902 52.037 0.030 0.000 0.700 455 A CB 1.837 20.868 19.000 0.052 0.000 1.280 455 A HN 0.793 nan 8.150 nan 0.000 0.398 456 G N -0.081 108.733 108.800 0.023 0.000 2.489 456 G HA2 0.757 4.732 3.960 0.024 0.000 0.305 456 G HA3 0.757 4.732 3.960 0.024 0.000 0.305 456 G C -1.371 173.564 174.900 0.057 0.000 1.311 456 G CA 0.280 45.343 45.100 -0.061 0.000 0.813 456 G HN 2.025 nan 8.290 nan 0.000 0.480 457 Y N -2.787 117.582 120.300 0.116 0.000 2.715 457 Y HA 0.857 5.422 4.550 0.025 0.000 0.331 457 Y C -1.040 174.914 175.900 0.089 0.000 1.197 457 Y CA -1.836 56.358 58.100 0.157 0.000 1.079 457 Y CB 1.532 40.185 38.460 0.322 0.000 1.298 457 Y HN 0.644 nan 8.280 nan 0.000 0.477 458 V N 1.502 121.640 119.914 0.373 0.000 2.655 458 V HA 0.537 4.672 4.120 0.024 0.000 0.301 458 V C -0.299 175.864 176.094 0.115 0.000 1.082 458 V CA -0.122 62.276 62.300 0.164 0.000 0.899 458 V CB 1.665 33.510 31.823 0.036 0.000 1.014 458 V HN 1.178 nan 8.190 nan 0.000 0.429 459 T N 0.417 114.941 114.554 -0.051 0.000 2.923 459 T HA 0.300 4.665 4.350 0.024 0.000 0.281 459 T C 1.127 175.763 174.700 -0.108 0.000 0.995 459 T CA -0.160 61.829 62.100 -0.185 0.000 0.985 459 T CB 1.293 69.792 68.868 -0.614 0.000 1.114 459 T HN 0.659 nan 8.240 nan 0.000 0.548 460 N N 0.481 119.140 118.700 -0.068 0.000 2.459 460 N HA -0.095 4.659 4.740 0.024 0.000 0.181 460 N C 1.283 176.753 175.510 -0.065 0.000 1.046 460 N CA 0.447 53.466 53.050 -0.050 0.000 0.904 460 N CB -0.276 38.219 38.487 0.012 0.000 0.964 460 N HN 0.619 nan 8.380 nan 0.000 0.444 461 R N -0.285 120.160 120.500 -0.092 0.000 2.334 461 R HA 0.157 4.512 4.340 0.024 0.000 0.220 461 R C 0.814 177.071 176.300 -0.072 0.000 0.917 461 R CA 0.446 56.500 56.100 -0.077 0.000 1.073 461 R CB 0.095 30.344 30.300 -0.085 0.000 1.056 461 R HN 0.424 nan 8.270 nan 0.000 0.506 462 G N 1.569 110.322 108.800 -0.078 0.000 2.225 462 G HA2 -0.356 3.619 3.960 0.024 0.000 0.254 462 G HA3 -0.356 3.619 3.960 0.024 0.000 0.254 462 G C 0.261 175.134 174.900 -0.045 0.000 0.988 462 G CA 0.032 45.097 45.100 -0.058 0.000 0.625 462 G HN 0.379 nan 8.290 nan 0.000 0.527 463 R N 1.486 121.954 120.500 -0.054 0.000 2.522 463 R HA 0.382 4.737 4.340 0.024 0.000 0.284 463 R C 0.593 176.936 176.300 0.071 0.000 1.032 463 R CA 0.965 57.071 56.100 0.010 0.000 1.049 463 R CB 0.076 30.377 30.300 0.000 0.000 0.956 463 R HN 0.684 nan 8.270 nan 0.000 0.422 464 Q N 2.902 122.722 119.800 0.034 0.000 2.605 464 Q HA 0.596 4.951 4.340 0.024 0.000 0.296 464 Q C -1.445 174.402 176.000 -0.254 0.000 1.056 464 Q CA -1.230 54.512 55.803 -0.101 0.000 0.778 464 Q CB 2.525 31.212 28.738 -0.086 0.000 1.497 464 Q HN 0.560 nan 8.270 nan 0.000 0.443 465 K N -0.407 119.733 120.400 -0.434 0.000 2.931 465 K HA 0.603 4.937 4.320 0.024 0.000 0.292 465 K C -2.353 174.053 176.600 -0.324 0.000 1.077 465 K CA -0.638 55.419 56.287 -0.383 0.000 0.829 465 K CB 2.475 34.685 32.500 -0.483 0.000 1.488 465 K HN 0.579 nan 8.250 nan 0.000 0.358 466 V N 1.475 121.278 119.914 -0.186 0.000 3.177 466 V HA 0.656 4.790 4.120 0.024 0.000 0.287 466 V C -2.101 173.955 176.094 -0.062 0.000 1.465 466 V CA -0.494 61.738 62.300 -0.114 0.000 1.020 466 V CB 2.192 33.966 31.823 -0.082 0.000 1.152 466 V HN 0.573 nan 8.190 nan 0.000 0.448 467 V N 3.570 123.465 119.914 -0.032 0.000 2.888 467 V HA 0.629 4.764 4.120 0.024 0.000 0.309 467 V C -0.163 175.931 176.094 -0.001 0.000 1.114 467 V CA -0.491 61.803 62.300 -0.009 0.000 0.940 467 V CB 2.634 34.464 31.823 0.011 0.000 1.021 467 V HN 0.967 nan 8.190 nan 0.000 0.426 468 T N 5.167 119.721 114.554 0.001 0.000 2.837 468 T HA 0.740 5.104 4.350 0.024 0.000 0.285 468 T C -0.537 174.168 174.700 0.008 0.000 0.984 468 T CA -0.274 61.828 62.100 0.003 0.000 1.049 468 T CB 0.813 69.681 68.868 0.000 0.000 0.947 468 T HN 0.380 nan 8.240 nan 0.000 0.472 469 L N 3.141 124.368 121.223 0.008 0.000 2.385 469 L HA 0.553 4.907 4.340 0.024 0.000 0.273 469 L C 0.662 177.535 176.870 0.005 0.000 0.990 469 L CA -0.994 53.851 54.840 0.009 0.000 0.821 469 L CB 2.156 44.222 42.059 0.011 0.000 1.279 469 L HN 0.728 nan 8.230 nan 0.000 0.412 470 T N -2.353 112.204 114.554 0.004 0.000 2.943 470 T HA 0.357 4.721 4.350 0.024 0.000 0.284 470 T C 0.054 174.754 174.700 0.000 0.000 1.015 470 T CA -0.548 61.554 62.100 0.002 0.000 1.042 470 T CB 1.519 70.389 68.868 0.003 0.000 1.055 470 T HN 0.641 nan 8.240 nan 0.000 0.500 471 D N 0.055 120.455 120.400 -0.001 0.000 2.803 471 D HA -0.162 4.493 4.640 0.024 0.000 0.233 471 D C -0.285 176.012 176.300 -0.006 0.000 1.182 471 D CA 1.608 55.606 54.000 -0.003 0.000 0.726 471 D CB -1.085 39.714 40.800 -0.002 0.000 0.987 471 D HN 0.981 nan 8.370 nan 0.000 0.412 472 T N -0.864 113.686 114.554 -0.007 0.000 2.901 472 T HA 0.771 5.135 4.350 0.024 0.000 0.293 472 T C 0.171 174.862 174.700 -0.016 0.000 1.084 472 T CA 0.206 62.299 62.100 -0.012 0.000 1.008 472 T CB 1.644 70.506 68.868 -0.009 0.000 1.170 472 T HN 0.246 nan 8.240 nan 0.000 0.509 473 T N 0.029 114.567 114.554 -0.027 0.000 2.889 473 T HA 0.398 4.763 4.350 0.024 0.000 0.278 473 T C 1.255 175.930 174.700 -0.041 0.000 0.995 473 T CA -0.531 61.549 62.100 -0.033 0.000 0.966 473 T CB 0.844 69.685 68.868 -0.045 0.000 1.237 473 T HN 0.695 nan 8.240 nan 0.000 0.591 474 N N -0.307 118.367 118.700 -0.044 0.000 2.043 474 N HA -0.221 4.534 4.740 0.024 0.000 0.193 474 N C 2.054 177.519 175.510 -0.076 0.000 1.037 474 N CA 1.409 54.434 53.050 -0.042 0.000 0.851 474 N CB -0.125 38.344 38.487 -0.030 0.000 1.027 474 N HN 0.761 nan 8.380 nan 0.000 0.422 475 Q N 1.116 120.829 119.800 -0.145 0.000 2.016 475 Q HA -0.181 4.174 4.340 0.024 0.000 0.200 475 Q C 1.663 177.554 176.000 -0.183 0.000 0.978 475 Q CA 1.323 56.975 55.803 -0.253 0.000 0.833 475 Q CB -0.006 28.422 28.738 -0.516 0.000 0.895 475 Q HN 0.268 nan 8.270 nan 0.000 0.427 476 K N 0.051 120.366 120.400 -0.141 0.000 2.189 476 K HA -0.202 4.133 4.320 0.024 0.000 0.207 476 K C 2.184 178.761 176.600 -0.038 0.000 1.046 476 K CA 2.035 58.273 56.287 -0.082 0.000 0.928 476 K CB -0.298 32.166 32.500 -0.059 0.000 0.720 476 K HN 0.538 nan 8.250 nan 0.000 0.458 477 T N -0.436 114.101 114.554 -0.028 0.000 2.668 477 T HA -0.132 4.233 4.350 0.024 0.000 0.262 477 T C 1.695 176.406 174.700 0.019 0.000 1.045 477 T CA 0.945 63.046 62.100 0.003 0.000 1.152 477 T CB -0.367 68.502 68.868 0.002 0.000 0.864 477 T HN 0.276 nan 8.240 nan 0.000 0.419 478 E N 1.676 121.879 120.200 0.004 0.000 2.035 478 E HA -0.152 4.213 4.350 0.024 0.000 0.204 478 E C 2.331 178.957 176.600 0.044 0.000 1.025 478 E CA 1.621 58.035 56.400 0.024 0.000 0.835 478 E CB -0.645 29.061 29.700 0.011 0.000 0.764 478 E HN 0.425 nan 8.360 nan 0.000 0.457 479 L N 0.688 121.925 121.223 0.025 0.000 2.051 479 L HA -0.289 4.065 4.340 0.024 0.000 0.214 479 L C 2.826 179.749 176.870 0.088 0.000 1.076 479 L CA 1.449 56.319 54.840 0.050 0.000 0.758 479 L CB -0.521 41.550 42.059 0.020 0.000 0.890 479 L HN 0.184 nan 8.230 nan 0.000 0.433 480 Q N 0.149 119.997 119.800 0.080 0.000 2.124 480 Q HA -0.155 4.200 4.340 0.024 0.000 0.202 480 Q C 2.151 178.254 176.000 0.171 0.000 0.977 480 Q CA 1.905 57.795 55.803 0.146 0.000 0.850 480 Q CB -0.283 28.514 28.738 0.098 0.000 0.901 480 Q HN 0.435 nan 8.270 nan 0.000 0.429 481 A N 0.693 123.586 122.820 0.121 0.000 1.859 481 A HA -0.225 4.110 4.320 0.024 0.000 0.217 481 A C 2.161 179.829 177.584 0.140 0.000 1.198 481 A CA 1.921 54.039 52.037 0.135 0.000 0.629 481 A CB -1.049 18.016 19.000 0.109 0.000 0.830 481 A HN 0.494 nan 8.150 nan 0.000 0.446 482 I N -2.025 118.606 120.570 0.100 0.000 2.208 482 I HA -0.295 3.890 4.170 0.024 0.000 0.245 482 I C 2.511 178.651 176.117 0.038 0.000 1.097 482 I CA 1.966 63.294 61.300 0.047 0.000 1.363 482 I CB -0.543 37.484 38.000 0.046 0.000 1.051 482 I HN 0.544 nan 8.210 nan 0.000 0.413 483 Y N 1.851 122.139 120.300 -0.021 0.000 2.097 483 Y HA -0.245 4.319 4.550 0.023 0.000 0.282 483 Y C 2.356 178.236 175.900 -0.033 0.000 1.152 483 Y CA 1.521 59.601 58.100 -0.032 0.000 1.136 483 Y CB -0.592 37.863 38.460 -0.008 0.000 0.975 483 Y HN -0.001 nan 8.280 nan 0.000 0.498 484 L N -0.329 120.840 121.223 -0.090 0.000 1.990 484 L HA -0.309 4.046 4.340 0.024 0.000 0.213 484 L C 2.801 179.582 176.870 -0.148 0.000 1.072 484 L CA 1.484 56.276 54.840 -0.080 0.000 0.755 484 L CB -1.178 40.995 42.059 0.190 0.000 0.889 484 L HN 0.331 nan 8.230 nan 0.000 0.432 485 A N 0.042 122.745 122.820 -0.195 0.000 1.927 485 A HA -0.242 4.093 4.320 0.024 0.000 0.220 485 A C 2.245 179.263 177.584 -0.943 0.000 1.185 485 A CA 1.930 53.485 52.037 -0.805 0.000 0.639 485 A CB -0.865 17.758 19.000 -0.628 0.000 0.820 485 A HN 0.389 nan 8.150 nan 0.000 0.451 486 L N -1.051 119.837 121.223 -0.558 0.000 2.017 486 L HA -0.264 4.090 4.340 0.024 0.000 0.208 486 L C 2.960 179.597 176.870 -0.389 0.000 1.073 486 L CA 1.772 56.347 54.840 -0.441 0.000 0.745 486 L CB -0.592 41.297 42.059 -0.284 0.000 0.894 486 L HN 0.487 nan 8.230 nan 0.000 0.432 487 Q N -0.160 119.387 119.800 -0.421 0.000 2.050 487 Q HA -0.198 4.157 4.340 0.024 0.000 0.202 487 Q C 0.930 176.815 176.000 -0.190 0.000 0.980 487 Q CA 1.484 57.099 55.803 -0.314 0.000 0.840 487 Q CB -0.137 28.374 28.738 -0.378 0.000 0.898 487 Q HN 0.491 nan 8.270 nan 0.000 0.424 488 D N 0.432 120.720 120.400 -0.187 0.000 2.325 488 D HA 0.016 4.671 4.640 0.024 0.000 0.234 488 D C 0.109 176.416 176.300 0.012 0.000 1.122 488 D CA 0.215 54.197 54.000 -0.030 0.000 0.850 488 D CB 0.062 40.956 40.800 0.157 0.000 0.921 488 D HN 0.116 nan 8.370 nan 0.000 0.513 489 S N -1.472 114.137 115.700 -0.153 0.000 2.677 489 S HA 0.739 5.224 4.470 0.024 0.000 0.304 489 S C 0.639 175.229 174.600 -0.016 0.000 1.108 489 S CA -0.827 57.351 58.200 -0.036 0.000 0.944 489 S CB 2.149 65.151 63.200 -0.331 0.000 1.127 489 S HN 0.031 nan 8.310 nan 0.000 0.511 490 G N -0.119 108.706 108.800 0.042 0.000 2.611 490 G HA2 0.370 4.345 3.960 0.024 0.000 0.273 490 G HA3 0.370 4.345 3.960 0.024 0.000 0.273 490 G C 0.704 175.603 174.900 -0.001 0.000 1.305 490 G CA -0.888 44.226 45.100 0.024 0.000 1.010 490 G HN 0.794 nan 8.290 nan 0.000 0.509 491 L N -0.791 120.437 121.223 0.007 0.000 2.549 491 L HA 0.060 4.415 4.340 0.024 0.000 0.230 491 L C 0.779 177.654 176.870 0.009 0.000 1.162 491 L CA 1.048 55.892 54.840 0.006 0.000 0.834 491 L CB -0.537 41.532 42.059 0.016 0.000 0.947 491 L HN 0.431 nan 8.230 nan 0.000 0.452 492 E N -0.518 119.692 120.200 0.016 0.000 2.256 492 E HA 0.613 4.978 4.350 0.024 0.000 0.268 492 E C -1.218 175.403 176.600 0.036 0.000 0.877 492 E CA -0.328 56.089 56.400 0.028 0.000 0.757 492 E CB 3.350 33.073 29.700 0.038 0.000 1.183 492 E HN -0.131 nan 8.360 nan 0.000 0.418 493 V N 2.443 122.377 119.914 0.033 0.000 3.242 493 V HA 0.504 4.638 4.120 0.024 0.000 0.298 493 V C -1.892 174.248 176.094 0.076 0.000 1.352 493 V CA -0.647 61.684 62.300 0.051 0.000 1.052 493 V CB 2.637 34.407 31.823 -0.088 0.000 1.101 493 V HN 0.689 nan 8.190 nan 0.000 0.446 494 N N 2.916 121.689 118.700 0.121 0.000 2.238 494 N HA 0.709 5.464 4.740 0.024 0.000 0.302 494 N C -1.503 174.053 175.510 0.077 0.000 1.072 494 N CA -0.244 52.886 53.050 0.134 0.000 0.792 494 N CB 2.405 40.994 38.487 0.170 0.000 1.425 494 N HN 0.642 nan 8.380 nan 0.000 0.478 495 I N 1.262 121.824 120.570 -0.013 0.000 2.548 495 I HA 0.287 4.472 4.170 0.024 0.000 0.287 495 I C -0.755 175.291 176.117 -0.118 0.000 1.103 495 I CA -0.883 60.385 61.300 -0.054 0.000 1.049 495 I CB 2.301 40.239 38.000 -0.102 0.000 1.232 495 I HN -0.012 nan 8.210 nan 0.000 0.429 496 V N 4.371 124.180 119.914 -0.175 0.000 2.435 496 V HA 0.657 4.792 4.120 0.024 0.000 0.290 496 V C 0.018 176.026 176.094 -0.144 0.000 1.030 496 V CA -0.295 61.861 62.300 -0.241 0.000 0.881 496 V CB 1.819 33.333 31.823 -0.515 0.000 0.983 496 V HN 0.826 nan 8.190 nan 0.000 0.445 497 T N 1.287 115.775 114.554 -0.110 0.000 2.894 497 T HA 0.390 4.754 4.350 0.024 0.000 0.309 497 T C -0.178 174.447 174.700 -0.126 0.000 1.208 497 T CA -0.341 61.728 62.100 -0.051 0.000 1.016 497 T CB 1.805 70.698 68.868 0.042 0.000 1.192 497 T HN 0.862 nan 8.240 nan 0.000 0.491 498 D N 1.395 121.724 120.400 -0.118 0.000 2.340 498 D HA 0.204 4.859 4.640 0.024 0.000 0.217 498 D C 0.646 177.123 176.300 0.296 0.000 1.081 498 D CA -0.207 53.671 54.000 -0.204 0.000 0.842 498 D CB 0.217 40.885 40.800 -0.220 0.000 0.934 498 D HN 0.294 nan 8.370 nan 0.000 0.511 499 S N 0.167 116.056 115.700 0.315 0.000 2.510 499 S HA 0.012 4.496 4.470 0.024 0.000 0.279 499 S C 1.189 175.979 174.600 0.317 0.000 1.284 499 S CA -0.454 57.921 58.200 0.291 0.000 1.059 499 S CB 0.833 64.142 63.200 0.182 0.000 0.901 499 S HN 0.075 nan 8.310 nan 0.000 0.491 500 Q N 3.642 123.557 119.800 0.191 0.000 2.123 500 Q HA -0.092 4.263 4.340 0.024 0.000 0.199 500 Q C 1.278 177.238 176.000 -0.067 0.000 0.966 500 Q CA 1.559 57.321 55.803 -0.068 0.000 0.845 500 Q CB -0.457 28.267 28.738 -0.024 0.000 0.907 500 Q HN 0.972 nan 8.270 nan 0.000 0.439 501 Y N 0.939 121.191 120.300 -0.080 0.000 2.333 501 Y HA -0.230 4.334 4.550 0.024 0.000 0.290 501 Y C 2.133 177.973 175.900 -0.100 0.000 1.144 501 Y CA 1.337 59.385 58.100 -0.086 0.000 1.228 501 Y CB -0.000 38.439 38.460 -0.035 0.000 0.985 501 Y HN 0.141 nan 8.280 nan 0.000 0.542 502 A N -0.708 122.171 122.820 0.098 0.000 1.861 502 A HA -0.102 4.233 4.320 0.024 0.000 0.212 502 A C 2.036 179.577 177.584 -0.071 0.000 1.199 502 A CA 1.079 53.137 52.037 0.036 0.000 0.613 502 A CB -1.162 17.890 19.000 0.086 0.000 0.846 502 A HN 0.422 nan 8.150 nan 0.000 0.446 503 L N 0.266 121.419 121.223 -0.116 0.000 2.085 503 L HA -0.204 4.151 4.340 0.024 0.000 0.218 503 L C 1.968 178.687 176.870 -0.252 0.000 1.080 503 L CA 2.526 57.224 54.840 -0.236 0.000 0.776 503 L CB -1.008 40.724 42.059 -0.545 0.000 0.891 503 L HN 0.346 nan 8.230 nan 0.000 0.437 504 G N -1.150 107.474 108.800 -0.293 0.000 2.618 504 G HA2 -0.002 3.973 3.960 0.024 0.000 0.222 504 G HA3 -0.002 3.973 3.960 0.024 0.000 0.222 504 G C 1.470 176.188 174.900 -0.304 0.000 1.520 504 G CA 0.408 45.301 45.100 -0.344 0.000 0.930 504 G HN 0.370 nan 8.290 nan 0.000 0.547 505 I N 0.902 121.215 120.570 -0.427 0.000 2.231 505 I HA -0.313 3.871 4.170 0.024 0.000 0.251 505 I C 2.528 178.542 176.117 -0.171 0.000 1.076 505 I CA 1.356 62.380 61.300 -0.460 0.000 1.347 505 I CB -0.292 37.366 38.000 -0.571 0.000 1.038 505 I HN 0.219 nan 8.210 nan 0.000 0.429 506 I N -0.758 119.756 120.570 -0.093 0.000 2.729 506 I HA -0.162 4.022 4.170 0.024 0.000 0.256 506 I C 2.471 178.622 176.117 0.057 0.000 1.115 506 I CA 0.564 61.874 61.300 0.017 0.000 1.446 506 I CB -0.336 37.667 38.000 0.005 0.000 1.176 506 I HN 0.180 nan 8.210 nan 0.000 0.446 507 Q N 1.319 121.109 119.800 -0.017 0.000 2.439 507 Q HA -0.098 4.257 4.340 0.024 0.000 0.211 507 Q C 1.635 177.654 176.000 0.033 0.000 0.978 507 Q CA 1.127 56.927 55.803 -0.005 0.000 0.897 507 Q CB 0.099 28.792 28.738 -0.075 0.000 0.956 507 Q HN 0.519 nan 8.270 nan 0.000 0.483 508 A N 0.054 122.893 122.820 0.032 0.000 2.415 508 A HA 0.064 4.399 4.320 0.024 0.000 0.248 508 A C -0.195 177.565 177.584 0.294 0.000 1.299 508 A CA -0.283 51.832 52.037 0.131 0.000 0.899 508 A CB 0.031 19.062 19.000 0.053 0.000 0.997 508 A HN 0.449 nan 8.150 nan 0.000 0.506 509 Q N -0.625 119.332 119.800 0.262 0.000 2.410 509 Q HA -0.167 4.188 4.340 0.024 0.000 0.369 509 Q C -2.367 173.798 176.000 0.276 0.000 1.342 509 Q CA 0.108 56.108 55.803 0.329 0.000 1.133 509 Q CB -1.423 27.452 28.738 0.229 0.000 1.288 509 Q HN 0.425 nan 8.270 nan 0.000 0.320 510 P HA 0.038 nan 4.420 nan 0.000 0.279 510 P C -0.222 177.229 177.300 0.252 0.000 1.239 510 P CA -0.142 63.114 63.100 0.259 0.000 0.789 510 P CB 0.733 32.574 31.700 0.234 0.000 0.933 511 D N 0.929 121.419 120.400 0.149 0.000 2.571 511 D HA 0.100 4.754 4.640 0.024 0.000 0.239 511 D C -0.307 175.963 176.300 -0.050 0.000 1.267 511 D CA -0.262 53.776 54.000 0.063 0.000 0.823 511 D CB -0.029 40.774 40.800 0.004 0.000 1.056 511 D HN 0.416 nan 8.370 nan 0.000 0.494 512 Q N -2.195 117.624 119.800 0.031 0.000 2.686 512 Q HA 0.501 4.856 4.340 0.024 0.000 0.266 512 Q C -1.829 174.211 176.000 0.067 0.000 0.965 512 Q CA -0.902 54.904 55.803 0.004 0.000 0.894 512 Q CB 1.052 29.773 28.738 -0.029 0.000 1.583 512 Q HN -0.019 nan 8.270 nan 0.000 0.405 513 S N -0.475 115.255 115.700 0.049 0.000 2.643 513 S HA 0.287 4.772 4.470 0.024 0.000 0.270 513 S C -0.163 174.463 174.600 0.043 0.000 1.166 513 S CA 0.213 58.461 58.200 0.080 0.000 0.815 513 S CB 1.752 65.025 63.200 0.122 0.000 1.139 513 S HN 0.882 nan 8.310 nan 0.000 0.472 514 E N 0.696 120.925 120.200 0.049 0.000 2.060 514 E HA 0.137 4.502 4.350 0.024 0.000 0.189 514 E C 0.662 177.281 176.600 0.032 0.000 0.974 514 E CA 0.778 57.195 56.400 0.028 0.000 0.808 514 E CB -0.358 29.356 29.700 0.023 0.000 0.768 514 E HN 0.348 nan 8.360 nan 0.000 0.453 515 S N 0.903 116.638 115.700 0.060 0.000 2.509 515 S HA -0.066 4.419 4.470 0.024 0.000 0.287 515 S C 0.933 175.541 174.600 0.012 0.000 1.248 515 S CA -0.270 57.958 58.200 0.048 0.000 1.089 515 S CB 0.542 63.798 63.200 0.094 0.000 0.900 515 S HN 0.348 nan 8.310 nan 0.000 0.496 516 E N 3.994 124.185 120.200 -0.016 0.000 2.110 516 E HA -0.147 4.218 4.350 0.024 0.000 0.193 516 E C 1.725 178.275 176.600 -0.084 0.000 0.988 516 E CA 0.997 57.370 56.400 -0.046 0.000 0.804 516 E CB -0.079 29.590 29.700 -0.051 0.000 0.745 516 E HN 0.839 nan 8.360 nan 0.000 0.458 517 L N 0.405 121.576 121.223 -0.088 0.000 1.971 517 L HA -0.253 4.102 4.340 0.024 0.000 0.215 517 L C 2.549 179.345 176.870 -0.125 0.000 1.072 517 L CA 1.344 56.096 54.840 -0.147 0.000 0.758 517 L CB -0.451 41.551 42.059 -0.095 0.000 0.889 517 L HN 0.034 nan 8.230 nan 0.000 0.433 518 V N 0.564 120.461 119.914 -0.028 0.000 2.250 518 V HA -0.404 3.731 4.120 0.024 0.000 0.253 518 V C 2.289 178.379 176.094 -0.008 0.000 1.065 518 V CA 2.326 64.638 62.300 0.020 0.000 1.039 518 V CB -0.971 30.903 31.823 0.085 0.000 0.647 518 V HN 0.565 nan 8.190 nan 0.000 0.446 519 N N -0.018 118.668 118.700 -0.023 0.000 2.091 519 N HA -0.235 4.520 4.740 0.024 0.000 0.193 519 N C 1.891 177.365 175.510 -0.058 0.000 1.021 519 N CA 1.824 54.852 53.050 -0.036 0.000 0.862 519 N CB -0.401 38.056 38.487 -0.048 0.000 1.018 519 N HN 0.669 nan 8.380 nan 0.000 0.429 520 Q N 0.257 119.981 119.800 -0.127 0.000 2.046 520 Q HA 0.020 4.375 4.340 0.024 0.000 0.200 520 Q C 2.228 178.219 176.000 -0.015 0.000 0.975 520 Q CA 0.845 56.547 55.803 -0.168 0.000 0.836 520 Q CB -0.112 28.302 28.738 -0.538 0.000 0.896 520 Q HN 0.409 nan 8.270 nan 0.000 0.428 521 I N 0.912 121.470 120.570 -0.020 0.000 2.264 521 I HA -0.293 3.892 4.170 0.024 0.000 0.248 521 I C 2.237 178.369 176.117 0.026 0.000 1.111 521 I CA 1.182 62.547 61.300 0.108 0.000 1.382 521 I CB -0.366 37.672 38.000 0.064 0.000 1.060 521 I HN 0.228 nan 8.210 nan 0.000 0.418 522 I N 0.322 120.898 120.570 0.009 0.000 2.286 522 I HA -0.234 3.951 4.170 0.024 0.000 0.248 522 I C 2.543 178.668 176.117 0.015 0.000 1.115 522 I CA 1.156 62.464 61.300 0.014 0.000 1.392 522 I CB -0.533 37.510 38.000 0.071 0.000 1.065 522 I HN 0.247 nan 8.210 nan 0.000 0.418 523 E N 0.705 120.918 120.200 0.022 0.000 2.051 523 E HA -0.210 4.154 4.350 0.024 0.000 0.192 523 E C 2.207 178.834 176.600 0.045 0.000 0.991 523 E CA 1.078 57.498 56.400 0.033 0.000 0.799 523 E CB -0.336 29.384 29.700 0.033 0.000 0.748 523 E HN 0.478 nan 8.360 nan 0.000 0.449 524 Q N 0.497 120.332 119.800 0.059 0.000 2.030 524 Q HA -0.084 4.271 4.340 0.024 0.000 0.204 524 Q C 2.622 178.592 176.000 -0.050 0.000 0.986 524 Q CA 0.869 56.684 55.803 0.019 0.000 0.843 524 Q CB -0.576 28.182 28.738 0.035 0.000 0.904 524 Q HN 0.325 nan 8.270 nan 0.000 0.420 525 L N 0.214 121.364 121.223 -0.121 0.000 2.013 525 L HA -0.219 4.135 4.340 0.024 0.000 0.212 525 L C 2.453 179.237 176.870 -0.145 0.000 1.073 525 L CA 1.053 55.733 54.840 -0.266 0.000 0.753 525 L CB -0.528 41.150 42.059 -0.636 0.000 0.890 525 L HN 0.204 nan 8.230 nan 0.000 0.432 526 I N -0.402 120.166 120.570 -0.004 0.000 2.264 526 I HA -0.309 3.875 4.170 0.024 0.000 0.248 526 I C 2.539 178.739 176.117 0.139 0.000 1.111 526 I CA 1.387 62.805 61.300 0.197 0.000 1.382 526 I CB -0.344 37.823 38.000 0.278 0.000 1.060 526 I HN 0.291 nan 8.210 nan 0.000 0.418 527 K N 0.676 121.120 120.400 0.074 0.000 2.057 527 K HA -0.091 4.244 4.320 0.024 0.000 0.207 527 K C 0.888 177.512 176.600 0.040 0.000 1.049 527 K CA 0.710 57.032 56.287 0.058 0.000 0.931 527 K CB -0.031 32.488 32.500 0.032 0.000 0.714 527 K HN 0.188 nan 8.250 nan 0.000 0.440 528 K N 1.068 121.476 120.400 0.013 0.000 2.229 528 K HA -0.081 4.254 4.320 0.024 0.000 0.250 528 K C 1.082 177.705 176.600 0.039 0.000 1.016 528 K CA 0.552 56.844 56.287 0.009 0.000 0.866 528 K CB 0.476 32.964 32.500 -0.021 0.000 1.028 528 K HN 0.099 nan 8.250 nan 0.000 0.514 529 E N 0.311 120.531 120.200 0.034 0.000 2.201 529 E HA 0.028 4.393 4.350 0.024 0.000 0.193 529 E C -0.473 176.159 176.600 0.054 0.000 0.957 529 E CA 0.783 57.211 56.400 0.045 0.000 0.858 529 E CB 0.536 30.258 29.700 0.036 0.000 0.816 529 E HN 0.278 nan 8.360 nan 0.000 0.475 530 K N 0.183 120.611 120.400 0.047 0.000 2.588 530 K HA 0.378 4.712 4.320 0.024 0.000 0.250 530 K C -1.860 174.773 176.600 0.055 0.000 0.972 530 K CA -0.476 55.848 56.287 0.061 0.000 0.821 530 K CB 2.796 35.331 32.500 0.058 0.000 1.249 530 K HN -0.173 nan 8.250 nan 0.000 0.442 531 V N 3.382 123.336 119.914 0.068 0.000 2.531 531 V HA 0.373 4.508 4.120 0.024 0.000 0.301 531 V C -1.464 174.700 176.094 0.116 0.000 1.034 531 V CA -0.887 61.441 62.300 0.048 0.000 0.865 531 V CB 1.561 33.361 31.823 -0.037 0.000 0.995 531 V HN 0.689 nan 8.190 nan 0.000 0.424 532 Y N 5.353 125.650 120.300 -0.005 0.000 2.350 532 Y HA 0.727 5.292 4.550 0.024 0.000 0.338 532 Y C -1.023 174.873 175.900 -0.007 0.000 0.961 532 Y CA -0.760 57.343 58.100 0.005 0.000 1.100 532 Y CB 1.603 40.068 38.460 0.008 0.000 1.179 532 Y HN 0.609 nan 8.280 nan 0.000 0.454 533 L N 5.693 126.517 121.223 -0.666 0.000 2.334 533 L HA 0.948 5.302 4.340 0.024 0.000 0.276 533 L C -1.015 175.425 176.870 -0.717 0.000 1.014 533 L CA -0.759 53.789 54.840 -0.487 0.000 0.815 533 L CB 1.434 43.343 42.059 -0.250 0.000 1.268 533 L HN 0.856 nan 8.230 nan 0.000 0.428 534 A N 3.391 125.983 122.820 -0.379 0.000 2.449 534 A HA 0.548 4.883 4.320 0.024 0.000 0.302 534 A C -2.194 175.371 177.584 -0.033 0.000 1.048 534 A CA -0.436 51.472 52.037 -0.215 0.000 0.708 534 A CB 1.275 20.213 19.000 -0.103 0.000 1.274 534 A HN 0.767 nan 8.150 nan 0.000 0.410 535 W N 2.459 123.684 121.300 -0.124 0.000 2.689 535 W HA 0.650 5.324 4.660 0.024 0.000 0.340 535 W C -0.928 175.558 176.519 -0.055 0.000 1.060 535 W CA -0.372 56.922 57.345 -0.086 0.000 1.218 535 W CB 1.922 31.334 29.460 -0.079 0.000 1.410 535 W HN 0.992 nan 8.180 nan 0.000 0.528 536 V N 2.690 121.780 119.914 -1.373 0.000 3.049 536 V HA 0.668 4.802 4.120 0.024 0.000 0.309 536 V C -2.810 172.216 176.094 -1.780 0.000 1.148 536 V CA -3.138 58.390 62.300 -1.287 0.000 0.990 536 V CB 1.541 33.020 31.823 -0.573 0.000 1.039 536 V HN 0.493 nan 8.190 nan 0.000 0.430 537 P HA 0.323 nan 4.420 nan 0.000 0.264 537 P C -0.028 177.065 177.300 -0.346 0.000 1.193 537 P CA 0.708 63.459 63.100 -0.581 0.000 0.763 537 P CB 0.509 32.081 31.700 -0.214 0.000 0.810 538 A N 3.683 126.382 122.820 -0.201 0.000 2.313 538 A HA 0.248 4.582 4.320 0.024 0.000 0.261 538 A C 0.363 177.839 177.584 -0.180 0.000 1.090 538 A CA -0.156 51.717 52.037 -0.274 0.000 0.807 538 A CB -0.497 18.286 19.000 -0.361 0.000 1.055 538 A HN 0.781 nan 8.150 nan 0.000 0.492 539 H N -1.696 117.365 119.070 -0.014 0.000 2.791 539 H HA -0.121 4.450 4.556 0.025 0.000 0.302 539 H C -0.421 174.899 175.328 -0.013 0.000 1.198 539 H CA 1.472 57.516 56.048 -0.006 0.000 1.145 539 H CB -1.476 28.291 29.762 0.008 0.000 1.385 539 H HN 0.551 nan 8.280 nan 0.000 0.409 540 K N -0.738 119.678 120.400 0.027 0.000 2.295 540 K HA 0.542 4.877 4.320 0.024 0.000 0.239 540 K C 1.472 178.072 176.600 0.001 0.000 0.991 540 K CA 0.124 56.416 56.287 0.009 0.000 0.845 540 K CB 1.100 33.580 32.500 -0.032 0.000 1.197 540 K HN 0.114 nan 8.250 nan 0.000 0.441 541 G N 0.994 109.795 108.800 0.002 0.000 2.653 541 G HA2 -0.081 3.894 3.960 0.024 0.000 0.212 541 G HA3 -0.081 3.894 3.960 0.024 0.000 0.212 541 G C 0.272 175.168 174.900 -0.007 0.000 1.138 541 G CA 0.174 45.273 45.100 -0.000 0.000 0.782 541 G HN 0.528 nan 8.290 nan 0.000 0.535 542 I N 2.291 122.852 120.570 -0.015 0.000 2.845 542 I HA 0.040 4.225 4.170 0.024 0.000 0.290 542 I C 1.636 177.757 176.117 0.007 0.000 1.202 542 I CA -0.234 61.059 61.300 -0.013 0.000 1.406 542 I CB -0.103 37.867 38.000 -0.051 0.000 1.383 542 I HN 0.077 nan 8.210 nan 0.000 0.549 543 G N 4.265 113.075 108.800 0.016 0.000 2.647 543 G HA2 0.298 4.273 3.960 0.024 0.000 0.234 543 G HA3 0.298 4.273 3.960 0.024 0.000 0.234 543 G C 1.048 175.966 174.900 0.031 0.000 1.252 543 G CA 0.141 45.235 45.100 -0.009 0.000 0.846 543 G HN 1.130 nan 8.290 nan 0.000 0.589 544 G N 1.398 110.145 108.800 -0.089 0.000 4.039 544 G HA2 -0.439 3.536 3.960 0.024 0.000 0.220 544 G HA3 -0.439 3.536 3.960 0.024 0.000 0.220 544 G C 1.557 176.508 174.900 0.084 0.000 1.391 544 G CA 1.233 46.314 45.100 -0.031 0.000 0.920 544 G HN 1.105 nan 8.290 nan 0.000 0.599 545 N N 2.165 120.921 118.700 0.093 0.000 2.364 545 N HA -0.001 4.754 4.740 0.024 0.000 0.183 545 N C 1.985 177.495 175.510 -0.000 0.000 1.022 545 N CA 2.113 55.173 53.050 0.018 0.000 0.883 545 N CB -0.249 38.214 38.487 -0.041 0.000 0.965 545 N HN 0.843 nan 8.380 nan 0.000 0.438 546 E N -1.236 118.964 120.200 -0.001 0.000 2.474 546 E HA -0.043 4.321 4.350 0.024 0.000 0.194 546 E C 1.139 177.734 176.600 -0.009 0.000 1.041 546 E CA 0.111 56.509 56.400 -0.003 0.000 0.874 546 E CB 0.058 29.753 29.700 -0.008 0.000 0.914 546 E HN 0.293 nan 8.360 nan 0.000 0.498 547 Q N 0.926 120.717 119.800 -0.015 0.000 2.123 547 Q HA 0.042 4.396 4.340 0.024 0.000 0.196 547 Q C 1.739 177.737 176.000 -0.004 0.000 0.958 547 Q CA 1.136 56.926 55.803 -0.022 0.000 0.841 547 Q CB -0.210 28.503 28.738 -0.041 0.000 0.915 547 Q HN 0.382 nan 8.270 nan 0.000 0.455 548 V N 0.000 119.920 119.914 0.009 0.000 2.409 548 V HA 0.000 4.135 4.120 0.024 0.000 0.244 548 V CA 0.000 62.309 62.300 0.014 0.000 1.235 548 V CB 0.000 31.836 31.823 0.022 0.000 1.184 548 V HN 0.000 nan 8.190 nan 0.000 0.556