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 1q3s_1_F DATA FIRST_RESID 10 DATA SEQUENCE VILPEGTQRY VGRDAQRLNI LAARIIAETV RTTLGPKGMD KMLVDSLGDI DATA SEQUENCE VVTNDCATIL DKIDLQHPAA KMMVEVAKTQ DKEAGDGTTT AVVIAGELLR DATA SEQUENCE KAEELLDQNI HPSIIIKGYA LAAEKAQEIL DEIAIRVDPD DEETLLKIAA DATA SEQUENCE TSITGKNAES HKELLAKLAV EAVKQVAEKK DGKYVVDLDN IKFEKKAGEG DATA SEQUENCE VEESELVRGV VIDKEVVHPR MPKRVENAKI ALINEALEVK KTETDAKINI DATA SEQUENCE TSPDQLMSFL EQEEKMLKDM VDHIAQTGAN VVFVQKGIDD LAQHYLAKYG DATA SEQUENCE IMAVRRVKKS DMEKLAKATG AKIVTNVKDL TPEDLGYAEV VEERKLAGEN DATA SEQUENCE MIFVEGCKNP KAVTILIRGG TEHVIDEVER ALEDAVKVVK DVMEDGAVLP DATA SEQUENCE AGGAPEIELA IRLDEYAKQV GGKEALAIEN FADALKIIPK TLAENAGLDT DATA SEQUENCE VEMLVKVISE HKNRGLGIGI DVFEGKPADM LEKGIIEPLR VKKQAIKSAS DATA SEQUENCE EAAIMILRID DVIAAKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 V HA 0.000 nan 4.120 nan 0.000 0.244 10 V C 0.000 176.091 176.094 -0.006 0.000 1.182 10 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 10 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 11 I N 0.503 121.069 120.570 -0.007 0.000 3.081 11 I HA 0.501 4.671 4.170 0.000 0.000 0.274 11 I C 0.089 176.201 176.117 -0.008 0.000 1.178 11 I CA 1.108 62.403 61.300 -0.008 0.000 1.460 11 I CB 0.860 38.854 38.000 -0.009 0.000 1.137 11 I HN 0.515 nan 8.210 nan 0.000 0.443 12 L N 0.903 122.120 121.223 -0.010 0.000 2.545 12 L HA 0.447 4.787 4.340 0.000 0.000 0.258 12 L C -2.566 174.298 176.870 -0.010 0.000 0.942 12 L CA -1.371 53.462 54.840 -0.010 0.000 0.855 12 L CB 2.084 44.134 42.059 -0.015 0.000 1.374 12 L HN -0.162 nan 8.230 nan 0.000 0.411 13 P HA 0.043 nan 4.420 nan 0.000 0.261 13 P C -1.222 176.072 177.300 -0.009 0.000 1.173 13 P CA -0.006 63.090 63.100 -0.007 0.000 0.760 13 P CB 0.336 32.033 31.700 -0.004 0.000 0.783 14 E N 2.159 122.354 120.200 -0.008 0.000 2.409 14 E HA 0.332 4.682 4.350 0.000 0.000 0.257 14 E C 1.287 177.882 176.600 -0.008 0.000 1.150 14 E CA -0.051 56.343 56.400 -0.010 0.000 0.942 14 E CB -0.527 29.168 29.700 -0.008 0.000 0.979 14 E HN 0.636 nan 8.360 nan 0.000 0.447 15 G N 0.876 109.671 108.800 -0.009 0.000 2.189 15 G HA2 -0.304 3.656 3.960 0.000 0.000 0.267 15 G HA3 -0.304 3.656 3.960 0.000 0.000 0.267 15 G C 0.255 175.154 174.900 -0.002 0.000 0.975 15 G CA 0.674 45.772 45.100 -0.003 0.000 0.644 15 G HN 0.705 nan 8.290 nan 0.000 0.537 16 T N 2.175 116.723 114.554 -0.009 0.000 2.875 16 T HA 0.497 4.847 4.350 0.000 0.000 0.307 16 T C 0.555 175.237 174.700 -0.029 0.000 1.013 16 T CA -0.091 62.004 62.100 -0.009 0.000 0.970 16 T CB 0.838 69.701 68.868 -0.009 0.000 0.986 16 T HN 0.533 nan 8.240 nan 0.000 0.536 17 Q N 2.259 122.044 119.800 -0.025 0.000 2.396 17 Q HA 0.676 5.016 4.340 0.000 0.000 0.221 17 Q C 0.268 176.189 176.000 -0.130 0.000 1.025 17 Q CA -0.650 55.090 55.803 -0.103 0.000 0.946 17 Q CB 1.061 29.760 28.738 -0.064 0.000 1.224 17 Q HN 0.538 nan 8.270 nan 0.000 0.539 18 R N -0.161 120.114 120.500 -0.375 0.000 2.664 18 R HA 0.504 4.844 4.340 0.000 0.000 0.266 18 R C -1.773 174.177 176.300 -0.583 0.000 1.046 18 R CA -0.498 55.451 56.100 -0.253 0.000 0.885 18 R CB 1.123 31.353 30.300 -0.117 0.000 1.254 18 R HN 0.666 nan 8.270 nan 0.000 0.465 19 Y N 0.417 120.725 120.300 0.013 0.000 2.588 19 Y HA 0.686 5.236 4.550 0.000 0.000 0.343 19 Y C -0.614 175.291 175.900 0.008 0.000 1.065 19 Y CA -0.815 57.292 58.100 0.013 0.000 1.038 19 Y CB 2.405 40.880 38.460 0.024 0.000 1.297 19 Y HN 0.246 nan 8.280 nan 0.000 0.467 20 V N 0.100 120.108 119.914 0.156 0.000 3.114 20 V HA 0.785 4.905 4.120 0.000 0.000 0.308 20 V C 0.568 176.699 176.094 0.062 0.000 1.168 20 V CA -0.514 61.836 62.300 0.083 0.000 1.015 20 V CB 1.348 33.195 31.823 0.039 0.000 1.050 20 V HN 1.125 nan 8.190 nan 0.000 0.433 21 G N 3.045 111.862 108.800 0.030 0.000 2.684 21 G HA2 -0.390 3.570 3.960 0.000 0.000 0.332 21 G HA3 -0.390 3.570 3.960 0.000 0.000 0.332 21 G C 1.172 176.075 174.900 0.006 0.000 1.306 21 G CA 1.895 46.996 45.100 0.003 0.000 1.002 21 G HN 1.279 nan 8.290 nan 0.000 0.545 22 R N 0.383 120.881 120.500 -0.003 0.000 2.096 22 R HA -0.098 4.242 4.340 0.000 0.000 0.240 22 R C 2.009 178.317 176.300 0.013 0.000 1.139 22 R CA 2.636 58.734 56.100 -0.004 0.000 0.952 22 R CB -0.986 29.311 30.300 -0.006 0.000 0.854 22 R HN 0.515 nan 8.270 nan 0.000 0.436 23 D N 0.892 121.319 120.400 0.046 0.000 2.108 23 D HA -0.183 4.457 4.640 0.000 0.000 0.190 23 D C 2.054 178.385 176.300 0.051 0.000 0.995 23 D CA 2.445 56.499 54.000 0.089 0.000 0.834 23 D CB -0.360 40.555 40.800 0.191 0.000 0.967 23 D HN 0.455 nan 8.370 nan 0.000 0.446 24 A N 0.504 123.377 122.820 0.089 0.000 1.842 24 A HA -0.334 3.986 4.320 0.000 0.000 0.217 24 A C 2.095 179.671 177.584 -0.012 0.000 1.206 24 A CA 2.309 54.373 52.037 0.045 0.000 0.630 24 A CB -1.061 17.985 19.000 0.077 0.000 0.839 24 A HN 0.300 nan 8.150 nan 0.000 0.447 25 Q N -1.311 118.488 119.800 -0.002 0.000 2.062 25 Q HA -0.285 4.055 4.340 0.000 0.000 0.209 25 Q C 2.417 178.398 176.000 -0.030 0.000 0.996 25 Q CA 2.076 57.870 55.803 -0.014 0.000 0.859 25 Q CB -0.279 28.448 28.738 -0.018 0.000 0.920 25 Q HN 0.673 nan 8.270 nan 0.000 0.415 26 R N 0.571 121.050 120.500 -0.035 0.000 2.105 26 R HA -0.141 4.199 4.340 0.000 0.000 0.239 26 R C 2.193 178.444 176.300 -0.082 0.000 1.135 26 R CA 1.095 57.166 56.100 -0.048 0.000 0.967 26 R CB -0.111 30.167 30.300 -0.036 0.000 0.861 26 R HN 0.227 nan 8.270 nan 0.000 0.442 27 L N -0.129 121.024 121.223 -0.117 0.000 2.023 27 L HA -0.132 4.208 4.340 0.000 0.000 0.205 27 L C 2.031 178.789 176.870 -0.186 0.000 1.073 27 L CA 1.756 56.473 54.840 -0.206 0.000 0.745 27 L CB -0.751 41.117 42.059 -0.318 0.000 0.900 27 L HN 0.347 nan 8.230 nan 0.000 0.435 28 N N 0.449 119.117 118.700 -0.055 0.000 2.036 28 N HA -0.227 4.513 4.740 0.000 0.000 0.195 28 N C 1.933 177.436 175.510 -0.011 0.000 1.037 28 N CA 1.387 54.462 53.050 0.042 0.000 0.855 28 N CB -0.147 38.366 38.487 0.044 0.000 1.033 28 N HN 0.248 nan 8.380 nan 0.000 0.423 29 I N 0.511 121.063 120.570 -0.030 0.000 2.226 29 I HA -0.227 3.944 4.170 0.000 0.000 0.245 29 I C 2.249 178.335 176.117 -0.052 0.000 1.100 29 I CA 0.713 61.995 61.300 -0.030 0.000 1.374 29 I CB -0.177 37.806 38.000 -0.027 0.000 1.057 29 I HN 0.196 nan 8.210 nan 0.000 0.413 30 L N 1.130 122.301 121.223 -0.086 0.000 2.093 30 L HA -0.109 4.231 4.340 0.000 0.000 0.208 30 L C 2.550 179.349 176.870 -0.119 0.000 1.085 30 L CA 1.912 56.692 54.840 -0.100 0.000 0.755 30 L CB -0.714 41.272 42.059 -0.122 0.000 0.904 30 L HN 0.171 nan 8.230 nan 0.000 0.435 31 A N -0.299 122.420 122.820 -0.168 0.000 1.851 31 A HA -0.151 4.169 4.320 0.000 0.000 0.216 31 A C 2.480 180.038 177.584 -0.044 0.000 1.195 31 A CA 2.135 54.077 52.037 -0.158 0.000 0.622 31 A CB -1.368 17.549 19.000 -0.138 0.000 0.831 31 A HN 0.551 nan 8.150 nan 0.000 0.444 32 A N -0.089 122.723 122.820 -0.013 0.000 1.859 32 A HA -0.248 4.073 4.320 0.000 0.000 0.217 32 A C 2.230 179.804 177.584 -0.017 0.000 1.198 32 A CA 1.920 53.956 52.037 -0.002 0.000 0.629 32 A CB -0.676 18.327 19.000 0.004 0.000 0.830 32 A HN 0.577 nan 8.150 nan 0.000 0.446 33 R N -0.575 119.909 120.500 -0.027 0.000 2.096 33 R HA -0.162 4.178 4.340 0.000 0.000 0.240 33 R C 2.087 178.369 176.300 -0.031 0.000 1.139 33 R CA 1.763 57.845 56.100 -0.030 0.000 0.952 33 R CB -0.709 29.570 30.300 -0.034 0.000 0.854 33 R HN 0.614 nan 8.270 nan 0.000 0.436 34 I N 0.516 121.063 120.570 -0.038 0.000 2.127 34 I HA -0.318 3.852 4.170 0.000 0.000 0.241 34 I C 2.460 178.562 176.117 -0.025 0.000 1.075 34 I CA 1.083 62.362 61.300 -0.036 0.000 1.334 34 I CB -0.336 37.636 38.000 -0.047 0.000 1.040 34 I HN 0.163 nan 8.210 nan 0.000 0.405 35 I N 1.095 121.653 120.570 -0.020 0.000 2.208 35 I HA -0.297 3.873 4.170 0.000 0.000 0.245 35 I C 2.752 178.860 176.117 -0.014 0.000 1.097 35 I CA 1.942 63.235 61.300 -0.011 0.000 1.363 35 I CB -1.157 36.842 38.000 -0.002 0.000 1.051 35 I HN 0.196 nan 8.210 nan 0.000 0.413 36 A N 0.161 122.971 122.820 -0.018 0.000 1.877 36 A HA -0.221 4.099 4.320 0.000 0.000 0.216 36 A C 2.144 179.714 177.584 -0.022 0.000 1.186 36 A CA 1.665 53.689 52.037 -0.021 0.000 0.620 36 A CB -0.697 18.288 19.000 -0.025 0.000 0.822 36 A HN 0.531 nan 8.150 nan 0.000 0.443 37 E N -0.692 119.494 120.200 -0.024 0.000 2.265 37 E HA -0.100 4.250 4.350 0.000 0.000 0.196 37 E C 1.854 178.442 176.600 -0.021 0.000 0.996 37 E CA 1.273 57.659 56.400 -0.024 0.000 0.832 37 E CB -0.276 29.410 29.700 -0.024 0.000 0.756 37 E HN 0.627 nan 8.360 nan 0.000 0.491 38 T N 0.547 115.090 114.554 -0.018 0.000 2.777 38 T HA -0.128 4.222 4.350 0.000 0.000 0.266 38 T C 2.161 176.852 174.700 -0.015 0.000 1.040 38 T CA 1.509 63.600 62.100 -0.015 0.000 1.141 38 T CB -0.098 68.763 68.868 -0.012 0.000 0.868 38 T HN 0.229 nan 8.240 nan 0.000 0.444 39 V N 1.571 121.475 119.914 -0.016 0.000 3.052 39 V HA 0.110 4.231 4.120 0.000 0.000 0.254 39 V C 2.278 178.361 176.094 -0.020 0.000 1.100 39 V CA 0.877 63.167 62.300 -0.016 0.000 1.112 39 V CB -0.871 30.943 31.823 -0.015 0.000 0.738 39 V HN 0.452 nan 8.190 nan 0.000 0.469 40 R N 2.368 122.855 120.500 -0.022 0.000 2.303 40 R HA -0.121 4.220 4.340 0.000 0.000 0.225 40 R C 1.918 178.202 176.300 -0.027 0.000 1.114 40 R CA 1.745 57.829 56.100 -0.026 0.000 1.007 40 R CB -1.358 28.926 30.300 -0.028 0.000 0.861 40 R HN 0.635 nan 8.270 nan 0.000 0.471 41 T N -1.895 112.644 114.554 -0.024 0.000 3.148 41 T HA -0.014 4.336 4.350 0.000 0.000 0.253 41 T C 1.531 176.216 174.700 -0.026 0.000 1.134 41 T CA 0.831 62.916 62.100 -0.026 0.000 1.051 41 T CB 0.073 68.928 68.868 -0.022 0.000 0.959 41 T HN 0.461 nan 8.240 nan 0.000 0.525 42 T N -0.880 113.659 114.554 -0.024 0.000 3.054 42 T HA 0.379 4.729 4.350 0.000 0.000 0.255 42 T C 0.372 175.056 174.700 -0.026 0.000 1.035 42 T CA -0.600 61.487 62.100 -0.022 0.000 0.941 42 T CB -0.302 68.556 68.868 -0.016 0.000 1.026 42 T HN 0.268 nan 8.240 nan 0.000 0.533 43 L N 2.944 124.149 121.223 -0.030 0.000 2.455 43 L HA 0.522 4.862 4.340 0.000 0.000 0.272 43 L C 0.906 177.751 176.870 -0.042 0.000 1.174 43 L CA 1.760 56.581 54.840 -0.032 0.000 0.869 43 L CB -0.567 41.472 42.059 -0.033 0.000 1.130 43 L HN 0.710 nan 8.230 nan 0.000 0.474 44 G N 4.310 113.089 108.800 -0.035 0.000 2.796 44 G HA2 -0.187 3.773 3.960 0.000 0.000 0.571 44 G HA3 -0.187 3.773 3.960 0.000 0.000 0.571 44 G C -2.112 172.756 174.900 -0.054 0.000 1.370 44 G CA -0.388 44.685 45.100 -0.046 0.000 0.856 44 G HN 0.509 nan 8.290 nan 0.000 0.538 45 P HA 0.084 nan 4.420 nan 0.000 0.234 45 P C 1.276 178.477 177.300 -0.166 0.000 1.167 45 P CA 1.138 64.189 63.100 -0.081 0.000 0.763 45 P CB 0.153 31.779 31.700 -0.124 0.000 0.835 46 K N -1.402 118.888 120.400 -0.184 0.000 2.402 46 K HA 0.242 4.562 4.320 0.000 0.000 0.204 46 K C 1.161 177.707 176.600 -0.090 0.000 1.056 46 K CA 0.017 56.208 56.287 -0.160 0.000 1.069 46 K CB 0.273 32.651 32.500 -0.204 0.000 0.888 46 K HN 0.056 nan 8.250 nan 0.000 0.546 47 G N 1.472 110.230 108.800 -0.069 0.000 2.720 47 G HA2 0.079 4.039 3.960 0.000 0.000 0.237 47 G HA3 0.079 4.039 3.960 0.000 0.000 0.237 47 G C 0.222 175.102 174.900 -0.033 0.000 1.239 47 G CA -0.151 44.921 45.100 -0.045 0.000 0.847 47 G HN -0.063 nan 8.290 nan 0.000 0.593 48 M N 0.149 119.733 119.600 -0.026 0.000 2.706 48 M HA 0.357 4.837 4.480 0.000 0.000 0.304 48 M C -0.485 175.809 176.300 -0.011 0.000 1.217 48 M CA -0.636 54.653 55.300 -0.019 0.000 0.922 48 M CB 1.741 34.330 32.600 -0.019 0.000 1.637 48 M HN 0.400 nan 8.290 nan 0.000 0.492 49 D N 1.043 121.439 120.400 -0.006 0.000 2.268 49 D HA 0.467 5.107 4.640 0.000 0.000 0.249 49 D C -0.528 175.772 176.300 -0.000 0.000 1.008 49 D CA -0.313 53.687 54.000 0.000 0.000 0.939 49 D CB 1.617 42.421 40.800 0.007 0.000 1.170 49 D HN 0.278 nan 8.370 nan 0.000 0.468 50 K N 0.561 120.964 120.400 0.004 0.000 2.259 50 K HA 0.506 4.826 4.320 0.000 0.000 0.249 50 K C -0.495 176.113 176.600 0.012 0.000 0.942 50 K CA -0.774 55.516 56.287 0.004 0.000 0.816 50 K CB 2.595 35.096 32.500 0.002 0.000 1.155 50 K HN 0.282 nan 8.250 nan 0.000 0.428 51 M N 4.232 123.838 119.600 0.010 0.000 2.114 51 M HA 0.332 4.812 4.480 0.000 0.000 0.332 51 M C -1.710 174.600 176.300 0.017 0.000 1.014 51 M CA -0.613 54.698 55.300 0.017 0.000 0.956 51 M CB 0.502 33.106 32.600 0.007 0.000 1.551 51 M HN 0.456 nan 8.290 nan 0.000 0.427 52 L N 6.080 127.318 121.223 0.026 0.000 2.287 52 L HA 0.585 4.925 4.340 0.000 0.000 0.287 52 L C -1.000 175.885 176.870 0.025 0.000 1.022 52 L CA -0.935 53.917 54.840 0.020 0.000 0.814 52 L CB 1.589 43.658 42.059 0.016 0.000 1.217 52 L HN 0.425 nan 8.230 nan 0.000 0.420 53 V N 2.853 122.778 119.914 0.018 0.000 2.326 53 V HA 0.188 4.308 4.120 0.000 0.000 0.281 53 V C -0.117 175.985 176.094 0.014 0.000 1.015 53 V CA -0.822 61.489 62.300 0.019 0.000 0.823 53 V CB 1.416 33.248 31.823 0.015 0.000 1.009 53 V HN 0.764 nan 8.190 nan 0.000 0.436 54 D N 3.620 124.028 120.400 0.013 0.000 2.383 54 D HA 0.083 4.723 4.640 0.000 0.000 0.248 54 D C 1.456 177.761 176.300 0.009 0.000 1.170 54 D CA 0.240 54.245 54.000 0.009 0.000 0.977 54 D CB 1.409 42.213 40.800 0.007 0.000 1.120 54 D HN 0.424 nan 8.370 nan 0.000 0.481 55 S N 0.446 116.150 115.700 0.007 0.000 2.392 55 S HA -0.233 4.237 4.470 0.000 0.000 0.232 55 S C 2.062 176.666 174.600 0.006 0.000 1.041 55 S CA 0.903 59.107 58.200 0.006 0.000 1.026 55 S CB -0.752 62.451 63.200 0.005 0.000 0.845 55 S HN 0.577 nan 8.310 nan 0.000 0.465 56 L N 1.093 122.320 121.223 0.006 0.000 2.551 56 L HA 0.196 4.537 4.340 0.000 0.000 0.228 56 L C 2.074 178.950 176.870 0.009 0.000 1.153 56 L CA 0.546 55.389 54.840 0.007 0.000 0.851 56 L CB -0.688 41.374 42.059 0.005 0.000 0.959 56 L HN 0.692 nan 8.230 nan 0.000 0.451 57 G N -0.749 108.058 108.800 0.011 0.000 2.176 57 G HA2 -0.257 3.703 3.960 0.000 0.000 0.232 57 G HA3 -0.257 3.703 3.960 0.000 0.000 0.232 57 G C 0.183 175.095 174.900 0.021 0.000 0.986 57 G CA 0.026 45.135 45.100 0.014 0.000 0.643 57 G HN 0.379 nan 8.290 nan 0.000 0.522 58 D N 0.817 121.228 120.400 0.019 0.000 2.450 58 D HA 0.307 4.947 4.640 0.000 0.000 0.247 58 D C 0.023 176.346 176.300 0.038 0.000 1.162 58 D CA 0.211 54.226 54.000 0.025 0.000 0.879 58 D CB 0.345 41.152 40.800 0.012 0.000 1.163 58 D HN 0.164 nan 8.370 nan 0.000 0.472 59 I N 4.182 124.794 120.570 0.069 0.000 2.330 59 I HA 0.143 4.313 4.170 0.000 0.000 0.289 59 I C -0.121 176.090 176.117 0.157 0.000 1.001 59 I CA -0.747 60.617 61.300 0.106 0.000 1.193 59 I CB 1.836 39.911 38.000 0.125 0.000 1.345 59 I HN 0.057 nan 8.210 nan 0.000 0.461 60 V N 7.150 127.123 119.914 0.098 0.000 2.357 60 V HA 0.427 4.547 4.120 0.000 0.000 0.284 60 V C -0.152 176.005 176.094 0.105 0.000 1.018 60 V CA -0.738 61.607 62.300 0.075 0.000 0.841 60 V CB 1.739 33.572 31.823 0.017 0.000 0.991 60 V HN 0.393 nan 8.190 nan 0.000 0.437 61 V N 4.628 124.653 119.914 0.183 0.000 2.328 61 V HA 0.656 4.776 4.120 0.000 0.000 0.278 61 V C 0.198 176.345 176.094 0.088 0.000 1.021 61 V CA 0.093 62.472 62.300 0.132 0.000 0.838 61 V CB 1.436 33.349 31.823 0.149 0.000 0.999 61 V HN 0.972 nan 8.190 nan 0.000 0.447 62 T N 2.922 117.502 114.554 0.044 0.000 2.787 62 T HA 0.377 4.727 4.350 0.000 0.000 0.297 62 T C 0.357 175.064 174.700 0.012 0.000 1.221 62 T CA -0.302 61.812 62.100 0.023 0.000 1.006 62 T CB 2.092 70.965 68.868 0.007 0.000 1.328 62 T HN 0.642 nan 8.240 nan 0.000 0.509 63 N N -0.164 118.539 118.700 0.005 0.000 2.210 63 N HA 0.181 4.921 4.740 0.000 0.000 0.203 63 N C -0.494 175.013 175.510 -0.005 0.000 1.175 63 N CA -0.151 52.899 53.050 -0.000 0.000 0.894 63 N CB 0.461 38.949 38.487 0.002 0.000 1.041 63 N HN 0.572 nan 8.380 nan 0.000 0.506 64 D N -0.053 120.343 120.400 -0.008 0.000 2.383 64 D HA -0.020 4.620 4.640 0.000 0.000 0.252 64 D C 1.296 177.589 176.300 -0.011 0.000 1.166 64 D CA -0.109 53.883 54.000 -0.013 0.000 0.879 64 D CB 0.942 41.730 40.800 -0.020 0.000 1.164 64 D HN 0.262 nan 8.370 nan 0.000 0.462 65 C N 4.188 123.482 119.300 -0.011 0.000 2.453 65 C HA -0.035 4.425 4.460 0.000 0.000 0.277 65 C C 2.623 177.607 174.990 -0.010 0.000 1.262 65 C CA 1.271 60.283 59.018 -0.011 0.000 1.718 65 C CB -1.395 26.338 27.740 -0.011 0.000 2.031 65 C HN 0.793 nan 8.230 nan 0.000 0.480 66 A N 0.280 123.093 122.820 -0.011 0.000 1.884 66 A HA -0.201 4.119 4.320 0.000 0.000 0.219 66 A C 2.311 179.889 177.584 -0.011 0.000 1.197 66 A CA 3.007 55.038 52.037 -0.011 0.000 0.637 66 A CB -1.576 17.417 19.000 -0.012 0.000 0.827 66 A HN 0.675 nan 8.150 nan 0.000 0.450 67 T N 0.410 114.956 114.554 -0.014 0.000 2.622 67 T HA -0.160 4.190 4.350 0.000 0.000 0.266 67 T C 1.830 176.524 174.700 -0.009 0.000 1.047 67 T CA 1.671 63.762 62.100 -0.014 0.000 1.159 67 T CB -0.532 68.325 68.868 -0.018 0.000 0.863 67 T HN 0.433 nan 8.240 nan 0.000 0.422 68 I N 0.971 121.537 120.570 -0.007 0.000 2.091 68 I HA -0.205 3.965 4.170 0.000 0.000 0.239 68 I C 2.387 178.502 176.117 -0.003 0.000 1.061 68 I CA 1.482 62.780 61.300 -0.004 0.000 1.317 68 I CB -0.554 37.443 38.000 -0.004 0.000 1.031 68 I HN 0.204 nan 8.210 nan 0.000 0.401 69 L N 0.085 121.305 121.223 -0.004 0.000 2.191 69 L HA -0.247 4.093 4.340 0.000 0.000 0.212 69 L C 2.090 178.959 176.870 -0.002 0.000 1.103 69 L CA 1.584 56.422 54.840 -0.002 0.000 0.769 69 L CB -0.718 41.340 42.059 -0.003 0.000 0.908 69 L HN 0.374 nan 8.230 nan 0.000 0.438 70 D N -0.158 120.240 120.400 -0.003 0.000 2.110 70 D HA -0.147 4.493 4.640 0.000 0.000 0.202 70 D C 2.221 178.519 176.300 -0.003 0.000 0.975 70 D CA 0.840 54.838 54.000 -0.003 0.000 0.839 70 D CB 0.274 41.071 40.800 -0.006 0.000 0.996 70 D HN -0.131 nan 8.370 nan 0.000 0.464 71 K N 0.216 120.614 120.400 -0.003 0.000 2.147 71 K HA 0.000 4.320 4.320 0.000 0.000 0.205 71 K C 0.542 177.142 176.600 0.001 0.000 1.049 71 K CA 0.313 56.599 56.287 -0.002 0.000 0.936 71 K CB -0.352 32.147 32.500 -0.002 0.000 0.722 71 K HN 0.358 nan 8.250 nan 0.000 0.446 72 I N 2.470 123.041 120.570 0.002 0.000 2.556 72 I HA -0.090 4.080 4.170 0.000 0.000 0.284 72 I C 0.368 176.487 176.117 0.004 0.000 1.114 72 I CA -0.253 61.049 61.300 0.003 0.000 1.418 72 I CB 0.443 38.445 38.000 0.003 0.000 1.394 72 I HN -0.032 nan 8.210 nan 0.000 0.552 73 D N 8.336 128.740 120.400 0.006 0.000 2.422 73 D HA 0.249 4.889 4.640 0.000 0.000 0.227 73 D C -0.479 175.827 176.300 0.010 0.000 1.190 73 D CA -0.139 53.865 54.000 0.007 0.000 0.905 73 D CB 0.301 41.105 40.800 0.007 0.000 1.034 73 D HN 0.257 nan 8.370 nan 0.000 0.507 74 L N 3.406 124.636 121.223 0.012 0.000 2.350 74 L HA 0.240 4.580 4.340 0.000 0.000 0.275 74 L C 1.492 178.375 176.870 0.021 0.000 1.099 74 L CA -0.659 54.193 54.840 0.020 0.000 0.808 74 L CB 1.559 43.630 42.059 0.021 0.000 1.149 74 L HN 0.328 nan 8.230 nan 0.000 0.442 75 Q N 0.229 120.051 119.800 0.037 0.000 2.387 75 Q HA 0.045 4.385 4.340 0.000 0.000 0.212 75 Q C 0.324 176.345 176.000 0.035 0.000 0.925 75 Q CA 0.410 56.233 55.803 0.034 0.000 0.901 75 Q CB 0.151 28.915 28.738 0.043 0.000 1.020 75 Q HN 0.564 nan 8.270 nan 0.000 0.545 76 H N 3.146 122.207 119.070 -0.015 0.000 2.886 76 H HA 0.022 4.578 4.556 0.000 0.000 0.329 76 H C -1.624 173.691 175.328 -0.021 0.000 1.044 76 H CA -1.039 54.995 56.048 -0.025 0.000 1.456 76 H CB 1.171 30.909 29.762 -0.040 0.000 1.464 76 H HN -0.123 nan 8.280 nan 0.000 0.573 77 P HA -0.233 nan 4.420 nan 0.000 0.213 77 P C 1.104 178.340 177.300 -0.106 0.000 1.170 77 P CA 2.375 65.327 63.100 -0.247 0.000 0.902 77 P CB -0.036 31.485 31.700 -0.298 0.000 0.789 78 A N -0.125 122.658 122.820 -0.062 0.000 1.958 78 A HA -0.230 4.090 4.320 0.000 0.000 0.221 78 A C 2.317 179.950 177.584 0.082 0.000 1.178 78 A CA 2.468 54.550 52.037 0.076 0.000 0.642 78 A CB -1.714 17.396 19.000 0.183 0.000 0.816 78 A HN 0.233 nan 8.150 nan 0.000 0.453 79 A N -0.869 122.023 122.820 0.121 0.000 2.014 79 A HA -0.056 4.264 4.320 0.000 0.000 0.218 79 A C 2.047 179.650 177.584 0.033 0.000 1.163 79 A CA 1.633 53.711 52.037 0.069 0.000 0.652 79 A CB -0.295 18.753 19.000 0.080 0.000 0.808 79 A HN 0.557 nan 8.150 nan 0.000 0.449 80 K N -0.877 119.535 120.400 0.019 0.000 2.155 80 K HA 0.090 4.410 4.320 0.000 0.000 0.203 80 K C 1.761 178.363 176.600 0.003 0.000 1.052 80 K CA 1.200 57.490 56.287 0.005 0.000 0.948 80 K CB -0.188 32.306 32.500 -0.009 0.000 0.728 80 K HN 0.467 nan 8.250 nan 0.000 0.448 81 M N 0.082 119.685 119.600 0.005 0.000 2.460 81 M HA -0.062 4.418 4.480 0.000 0.000 0.263 81 M C 1.484 177.789 176.300 0.008 0.000 1.071 81 M CA 0.955 56.258 55.300 0.006 0.000 1.096 81 M CB 0.101 32.706 32.600 0.008 0.000 1.408 81 M HN 0.101 nan 8.290 nan 0.000 0.463 82 M N -1.052 118.553 119.600 0.009 0.000 2.541 82 M HA 0.006 4.486 4.480 0.000 0.000 0.252 82 M C 1.846 178.147 176.300 0.002 0.000 1.125 82 M CA 0.838 56.141 55.300 0.006 0.000 1.091 82 M CB -0.484 32.119 32.600 0.006 0.000 1.420 82 M HN 0.117 nan 8.290 nan 0.000 0.486 83 V N 0.104 120.020 119.914 0.003 0.000 2.488 83 V HA -0.160 3.960 4.120 0.000 0.000 0.246 83 V C 2.109 178.204 176.094 0.001 0.000 1.046 83 V CA 1.288 63.589 62.300 0.001 0.000 1.053 83 V CB -0.553 31.271 31.823 0.001 0.000 0.679 83 V HN 0.442 nan 8.190 nan 0.000 0.458 84 E N 0.177 120.378 120.200 0.003 0.000 2.085 84 E HA -0.195 4.155 4.350 0.000 0.000 0.194 84 E C 2.280 178.883 176.600 0.004 0.000 0.994 84 E CA 1.569 57.971 56.400 0.004 0.000 0.801 84 E CB -0.240 29.463 29.700 0.005 0.000 0.743 84 E HN 0.444 nan 8.360 nan 0.000 0.453 85 V N 1.549 121.465 119.914 0.003 0.000 2.233 85 V HA -0.316 3.804 4.120 0.000 0.000 0.247 85 V C 2.376 178.470 176.094 0.000 0.000 1.050 85 V CA 2.065 64.366 62.300 0.002 0.000 1.010 85 V CB -0.800 31.023 31.823 -0.001 0.000 0.637 85 V HN 0.346 nan 8.190 nan 0.000 0.444 86 A N -0.772 122.046 122.820 -0.002 0.000 2.076 86 A HA -0.258 4.062 4.320 0.000 0.000 0.220 86 A C 2.173 179.755 177.584 -0.002 0.000 1.160 86 A CA 2.214 54.249 52.037 -0.004 0.000 0.653 86 A CB -0.437 18.559 19.000 -0.005 0.000 0.801 86 A HN 0.528 nan 8.150 nan 0.000 0.455 87 K N -0.803 119.597 120.400 0.000 0.000 2.005 87 K HA -0.027 4.293 4.320 0.000 0.000 0.206 87 K C 2.020 178.622 176.600 0.004 0.000 1.044 87 K CA 1.951 58.239 56.287 0.001 0.000 0.942 87 K CB -0.578 31.924 32.500 0.002 0.000 0.727 87 K HN 0.316 nan 8.250 nan 0.000 0.439 88 T N 0.698 115.255 114.554 0.005 0.000 2.788 88 T HA -0.164 4.186 4.350 0.000 0.000 0.268 88 T C 1.668 176.372 174.700 0.007 0.000 1.044 88 T CA 1.528 63.632 62.100 0.007 0.000 1.139 88 T CB -0.259 68.615 68.868 0.009 0.000 0.867 88 T HN 0.245 nan 8.240 nan 0.000 0.454 89 Q N 1.432 121.235 119.800 0.005 0.000 2.050 89 Q HA -0.116 4.224 4.340 0.000 0.000 0.202 89 Q C 2.047 178.049 176.000 0.004 0.000 0.980 89 Q CA 1.621 57.426 55.803 0.004 0.000 0.840 89 Q CB -0.519 28.220 28.738 0.000 0.000 0.898 89 Q HN 0.476 nan 8.270 nan 0.000 0.424 90 D N -0.730 119.671 120.400 0.002 0.000 2.224 90 D HA -0.134 4.506 4.640 0.000 0.000 0.205 90 D C 1.312 177.616 176.300 0.007 0.000 0.965 90 D CA 0.797 54.798 54.000 0.002 0.000 0.852 90 D CB 0.148 40.947 40.800 -0.002 0.000 0.947 90 D HN 0.251 nan 8.370 nan 0.000 0.494 91 K N -0.004 120.400 120.400 0.008 0.000 2.426 91 K HA -0.011 4.309 4.320 0.000 0.000 0.193 91 K C 1.357 177.965 176.600 0.013 0.000 1.028 91 K CA 0.452 56.746 56.287 0.011 0.000 1.047 91 K CB 0.481 32.987 32.500 0.010 0.000 0.821 91 K HN -0.075 nan 8.250 nan 0.000 0.513 92 E N -1.049 119.158 120.200 0.012 0.000 2.367 92 E HA 0.132 4.482 4.350 0.000 0.000 0.204 92 E C 0.897 177.505 176.600 0.013 0.000 0.840 92 E CA 0.687 57.095 56.400 0.012 0.000 1.051 92 E CB 1.127 30.834 29.700 0.011 0.000 1.051 92 E HN 0.270 nan 8.360 nan 0.000 0.509 93 A N -0.367 122.459 122.820 0.011 0.000 2.456 93 A HA 0.517 4.837 4.320 0.000 0.000 0.237 93 A C 1.576 179.167 177.584 0.011 0.000 1.217 93 A CA 1.070 53.113 52.037 0.010 0.000 0.962 93 A CB 0.500 19.505 19.000 0.008 0.000 1.079 93 A HN 0.220 nan 8.150 nan 0.000 0.536 94 G N -0.044 108.762 108.800 0.010 0.000 2.779 94 G HA2 -0.337 3.623 3.960 0.000 0.000 0.230 94 G HA3 -0.337 3.623 3.960 0.000 0.000 0.230 94 G C 0.277 175.180 174.900 0.004 0.000 1.243 94 G CA 0.795 45.901 45.100 0.010 0.000 0.769 94 G HN 0.709 nan 8.290 nan 0.000 0.516 95 D N -0.218 120.185 120.400 0.005 0.000 2.449 95 D HA 0.562 5.202 4.640 0.000 0.000 0.250 95 D C 1.045 177.346 176.300 0.001 0.000 1.050 95 D CA 0.937 54.938 54.000 0.002 0.000 1.024 95 D CB 0.840 41.643 40.800 0.005 0.000 1.218 95 D HN 1.505 nan 8.370 nan 0.000 0.566 96 G N 0.259 109.059 108.800 -0.001 0.000 2.225 96 G HA2 -0.269 3.691 3.960 0.000 0.000 0.264 96 G HA3 -0.269 3.691 3.960 0.000 0.000 0.264 96 G C 0.875 175.771 174.900 -0.006 0.000 1.060 96 G CA 1.117 46.215 45.100 -0.003 0.000 0.833 96 G HN 0.629 nan 8.290 nan 0.000 0.498 97 T N -3.745 110.805 114.554 -0.007 0.000 2.896 97 T HA -0.039 4.311 4.350 0.000 0.000 0.263 97 T C 2.250 176.943 174.700 -0.012 0.000 1.050 97 T CA 2.181 64.276 62.100 -0.008 0.000 1.140 97 T CB -0.316 68.547 68.868 -0.008 0.000 0.877 97 T HN 0.272 nan 8.240 nan 0.000 0.457 98 T N 2.332 116.879 114.554 -0.013 0.000 2.652 98 T HA -0.121 4.229 4.350 0.000 0.000 0.267 98 T C 2.241 176.929 174.700 -0.020 0.000 1.039 98 T CA 2.002 64.093 62.100 -0.016 0.000 1.153 98 T CB -1.078 67.780 68.868 -0.016 0.000 0.863 98 T HN 0.491 nan 8.240 nan 0.000 0.428 99 T N 2.130 116.672 114.554 -0.019 0.000 2.665 99 T HA -0.155 4.195 4.350 0.000 0.000 0.268 99 T C 2.352 177.034 174.700 -0.028 0.000 1.035 99 T CA 1.433 63.519 62.100 -0.024 0.000 1.151 99 T CB -0.690 68.167 68.868 -0.018 0.000 0.862 99 T HN 0.455 nan 8.240 nan 0.000 0.438 100 A N 0.779 123.585 122.820 -0.022 0.000 1.908 100 A HA -0.077 4.243 4.320 0.000 0.000 0.218 100 A C 2.611 180.176 177.584 -0.031 0.000 1.181 100 A CA 1.655 53.677 52.037 -0.024 0.000 0.627 100 A CB -1.004 17.988 19.000 -0.014 0.000 0.818 100 A HN 0.378 nan 8.150 nan 0.000 0.445 101 V N -0.505 119.394 119.914 -0.026 0.000 2.270 101 V HA -0.219 3.901 4.120 0.000 0.000 0.245 101 V C 2.563 178.636 176.094 -0.035 0.000 1.043 101 V CA 1.878 64.163 62.300 -0.025 0.000 1.014 101 V CB -0.950 30.862 31.823 -0.018 0.000 0.645 101 V HN 0.358 nan 8.190 nan 0.000 0.447 102 V N 0.283 120.176 119.914 -0.036 0.000 2.282 102 V HA -0.308 3.812 4.120 0.000 0.000 0.249 102 V C 2.193 178.251 176.094 -0.060 0.000 1.057 102 V CA 2.458 64.732 62.300 -0.043 0.000 1.032 102 V CB -0.599 31.200 31.823 -0.040 0.000 0.645 102 V HN 0.475 nan 8.190 nan 0.000 0.447 103 I N 0.187 120.713 120.570 -0.073 0.000 2.493 103 I HA -0.162 4.008 4.170 0.000 0.000 0.254 103 I C 2.536 178.571 176.117 -0.137 0.000 1.160 103 I CA 1.183 62.414 61.300 -0.116 0.000 1.445 103 I CB -0.557 37.366 38.000 -0.128 0.000 1.086 103 I HN 0.294 nan 8.210 nan 0.000 0.433 104 A N 0.993 123.758 122.820 -0.092 0.000 1.929 104 A HA 0.012 4.332 4.320 0.000 0.000 0.216 104 A C 2.414 179.967 177.584 -0.051 0.000 1.176 104 A CA 1.536 53.529 52.037 -0.073 0.000 0.628 104 A CB -1.052 17.925 19.000 -0.039 0.000 0.816 104 A HN 0.421 nan 8.150 nan 0.000 0.444 105 G N -0.444 108.329 108.800 -0.046 0.000 2.404 105 G HA2 -0.152 3.808 3.960 0.000 0.000 0.214 105 G HA3 -0.152 3.808 3.960 0.000 0.000 0.214 105 G C 1.430 176.308 174.900 -0.038 0.000 1.189 105 G CA 1.125 46.205 45.100 -0.033 0.000 0.789 105 G HN 0.492 nan 8.290 nan 0.000 0.533 106 E N 0.051 120.218 120.200 -0.056 0.000 2.118 106 E HA -0.097 4.253 4.350 0.000 0.000 0.195 106 E C 2.306 178.868 176.600 -0.063 0.000 0.992 106 E CA 0.532 56.897 56.400 -0.059 0.000 0.804 106 E CB -0.398 29.256 29.700 -0.077 0.000 0.741 106 E HN 0.252 nan 8.360 nan 0.000 0.458 107 L N -0.076 121.085 121.223 -0.104 0.000 2.093 107 L HA -0.039 4.301 4.340 0.000 0.000 0.208 107 L C 2.177 179.098 176.870 0.085 0.000 1.085 107 L CA 1.414 56.188 54.840 -0.110 0.000 0.755 107 L CB -0.502 41.395 42.059 -0.269 0.000 0.904 107 L HN 0.265 nan 8.230 nan 0.000 0.435 108 L N -1.419 119.831 121.223 0.045 0.000 2.156 108 L HA -0.159 4.181 4.340 0.000 0.000 0.208 108 L C 2.689 179.575 176.870 0.025 0.000 1.095 108 L CA 0.826 55.696 54.840 0.051 0.000 0.770 108 L CB -0.346 41.727 42.059 0.023 0.000 0.914 108 L HN 0.255 nan 8.230 nan 0.000 0.439 109 R N 0.429 120.934 120.500 0.009 0.000 2.070 109 R HA -0.164 4.176 4.340 0.000 0.000 0.232 109 R C 2.297 178.605 176.300 0.013 0.000 1.138 109 R CA 1.334 57.434 56.100 0.000 0.000 0.936 109 R CB 0.042 30.336 30.300 -0.010 0.000 0.839 109 R HN 0.092 nan 8.270 nan 0.000 0.429 110 K N 0.317 120.736 120.400 0.032 0.000 2.152 110 K HA -0.107 4.213 4.320 0.000 0.000 0.206 110 K C 1.904 178.538 176.600 0.057 0.000 1.048 110 K CA 1.374 57.692 56.287 0.052 0.000 0.933 110 K CB -0.376 32.173 32.500 0.081 0.000 0.721 110 K HN 0.329 nan 8.250 nan 0.000 0.447 111 A N 1.239 124.095 122.820 0.061 0.000 2.014 111 A HA -0.152 4.168 4.320 0.000 0.000 0.218 111 A C 2.141 179.692 177.584 -0.054 0.000 1.163 111 A CA 1.354 53.366 52.037 -0.042 0.000 0.652 111 A CB -0.261 18.684 19.000 -0.091 0.000 0.808 111 A HN 0.432 nan 8.150 nan 0.000 0.449 112 E N -0.017 120.168 120.200 -0.024 0.000 2.107 112 E HA -0.165 4.185 4.350 0.000 0.000 0.191 112 E C 1.770 178.356 176.600 -0.023 0.000 0.982 112 E CA 0.894 57.277 56.400 -0.028 0.000 0.809 112 E CB -0.097 29.590 29.700 -0.022 0.000 0.756 112 E HN 0.724 nan 8.360 nan 0.000 0.459 113 E N 0.395 120.588 120.200 -0.012 0.000 2.130 113 E HA -0.217 4.133 4.350 0.000 0.000 0.196 113 E C 2.116 178.709 176.600 -0.011 0.000 0.998 113 E CA 1.151 57.547 56.400 -0.007 0.000 0.806 113 E CB -0.080 29.623 29.700 0.005 0.000 0.738 113 E HN 0.363 nan 8.360 nan 0.000 0.459 114 L N 0.407 121.619 121.223 -0.018 0.000 2.313 114 L HA -0.082 4.258 4.340 0.000 0.000 0.214 114 L C 2.281 179.132 176.870 -0.032 0.000 1.119 114 L CA 0.269 55.095 54.840 -0.023 0.000 0.809 114 L CB -0.155 41.881 42.059 -0.038 0.000 0.933 114 L HN 0.141 nan 8.230 nan 0.000 0.449 115 L N -0.513 120.686 121.223 -0.039 0.000 2.044 115 L HA -0.151 4.189 4.340 0.000 0.000 0.205 115 L C 2.230 179.080 176.870 -0.033 0.000 1.075 115 L CA 0.972 55.786 54.840 -0.043 0.000 0.747 115 L CB -0.409 41.621 42.059 -0.048 0.000 0.903 115 L HN 0.239 nan 8.230 nan 0.000 0.435 116 D N -0.076 120.309 120.400 -0.026 0.000 2.104 116 D HA -0.255 4.385 4.640 0.000 0.000 0.194 116 D C 2.022 178.313 176.300 -0.016 0.000 0.994 116 D CA 1.195 55.183 54.000 -0.020 0.000 0.830 116 D CB -0.190 40.600 40.800 -0.015 0.000 0.959 116 D HN 0.321 nan 8.370 nan 0.000 0.452 117 Q N -0.056 119.736 119.800 -0.013 0.000 2.576 117 Q HA -0.081 4.260 4.340 0.000 0.000 0.218 117 Q C -0.158 175.837 176.000 -0.009 0.000 0.983 117 Q CA 0.264 56.062 55.803 -0.009 0.000 0.920 117 Q CB -0.248 28.487 28.738 -0.005 0.000 0.973 117 Q HN 0.345 nan 8.270 nan 0.000 0.528 118 N N -1.114 117.577 118.700 -0.015 0.000 2.901 118 N HA -0.172 4.568 4.740 0.000 0.000 0.248 118 N C -0.977 174.529 175.510 -0.007 0.000 1.044 118 N CA -0.055 52.985 53.050 -0.016 0.000 0.847 118 N CB -0.885 37.597 38.487 -0.009 0.000 1.127 118 N HN 0.211 nan 8.380 nan 0.000 0.562 119 I N 1.685 122.252 120.570 -0.004 0.000 2.452 119 I HA 0.006 4.176 4.170 0.000 0.000 0.287 119 I C 1.298 177.434 176.117 0.032 0.000 1.079 119 I CA -0.264 61.046 61.300 0.017 0.000 1.387 119 I CB 0.290 38.293 38.000 0.005 0.000 1.404 119 I HN 0.190 nan 8.210 nan 0.000 0.522 120 H N 9.890 128.946 119.070 -0.023 0.000 3.115 120 H HA -0.020 4.536 4.556 0.000 0.000 0.324 120 H C -1.481 173.827 175.328 -0.033 0.000 1.007 120 H CA -0.934 55.100 56.048 -0.022 0.000 1.385 120 H CB 1.181 30.933 29.762 -0.016 0.000 1.351 120 H HN 0.420 nan 8.280 nan 0.000 0.592 121 P HA -0.182 nan 4.420 nan 0.000 0.219 121 P C 1.626 179.020 177.300 0.157 0.000 1.146 121 P CA 1.352 64.491 63.100 0.064 0.000 0.808 121 P CB 0.224 31.918 31.700 -0.010 0.000 0.779 122 S N -0.129 115.805 115.700 0.389 0.000 2.365 122 S HA -0.143 4.327 4.470 0.000 0.000 0.225 122 S C 1.995 176.615 174.600 0.034 0.000 1.039 122 S CA 1.238 59.507 58.200 0.115 0.000 1.033 122 S CB -0.781 62.321 63.200 -0.164 0.000 0.887 122 S HN -0.090 nan 8.310 nan 0.000 0.447 123 I N 1.670 122.263 120.570 0.038 0.000 2.252 123 I HA -0.127 4.043 4.170 0.000 0.000 0.245 123 I C 2.306 178.419 176.117 -0.007 0.000 1.102 123 I CA 1.224 62.529 61.300 0.009 0.000 1.385 123 I CB -1.275 36.736 38.000 0.018 0.000 1.064 123 I HN 0.395 nan 8.210 nan 0.000 0.414 124 I N 0.772 121.318 120.570 -0.040 0.000 2.286 124 I HA -0.267 3.903 4.170 0.000 0.000 0.248 124 I C 2.575 178.581 176.117 -0.184 0.000 1.115 124 I CA 1.389 62.590 61.300 -0.164 0.000 1.392 124 I CB -0.294 37.556 38.000 -0.250 0.000 1.065 124 I HN 0.089 nan 8.210 nan 0.000 0.418 125 I N 0.509 121.042 120.570 -0.062 0.000 2.163 125 I HA -0.238 3.932 4.170 0.000 0.000 0.240 125 I C 2.612 178.791 176.117 0.104 0.000 1.081 125 I CA 1.181 62.501 61.300 0.033 0.000 1.353 125 I CB -0.454 37.575 38.000 0.047 0.000 1.054 125 I HN 0.110 nan 8.210 nan 0.000 0.407 126 K N 0.995 121.433 120.400 0.064 0.000 2.074 126 K HA -0.154 4.166 4.320 0.000 0.000 0.209 126 K C 2.034 178.690 176.600 0.093 0.000 1.048 126 K CA 1.768 58.094 56.287 0.066 0.000 0.926 126 K CB -0.941 31.577 32.500 0.030 0.000 0.713 126 K HN 0.470 nan 8.250 nan 0.000 0.444 127 G N -1.162 107.700 108.800 0.104 0.000 2.572 127 G HA2 -0.181 3.779 3.960 0.000 0.000 0.216 127 G HA3 -0.181 3.779 3.960 0.000 0.000 0.216 127 G C 1.456 176.510 174.900 0.257 0.000 1.133 127 G CA 0.095 45.274 45.100 0.132 0.000 0.791 127 G HN 0.324 nan 8.290 nan 0.000 0.538 128 Y N 0.473 120.830 120.300 0.095 0.000 2.337 128 Y HA 0.098 4.648 4.550 0.000 0.000 0.293 128 Y C 3.033 178.976 175.900 0.071 0.000 1.123 128 Y CA 0.295 58.510 58.100 0.191 0.000 1.201 128 Y CB 0.324 38.945 38.460 0.269 0.000 1.011 128 Y HN 0.294 nan 8.280 nan 0.000 0.545 129 A N 0.228 123.169 122.820 0.201 0.000 1.872 129 A HA -0.131 4.189 4.320 0.000 0.000 0.214 129 A C 2.059 179.653 177.584 0.017 0.000 1.187 129 A CA 1.109 53.203 52.037 0.095 0.000 0.614 129 A CB -0.932 18.124 19.000 0.094 0.000 0.826 129 A HN 0.430 nan 8.150 nan 0.000 0.442 130 L N -0.692 120.560 121.223 0.049 0.000 2.083 130 L HA -0.191 4.149 4.340 0.000 0.000 0.209 130 L C 3.031 179.929 176.870 0.046 0.000 1.083 130 L CA 1.146 56.039 54.840 0.089 0.000 0.752 130 L CB -0.681 41.474 42.059 0.160 0.000 0.899 130 L HN 0.439 nan 8.230 nan 0.000 0.433 131 A N 0.043 122.794 122.820 -0.116 0.000 1.930 131 A HA -0.047 4.273 4.320 0.000 0.000 0.217 131 A C 2.528 179.656 177.584 -0.760 0.000 1.175 131 A CA 1.544 53.312 52.037 -0.450 0.000 0.627 131 A CB -0.481 18.027 19.000 -0.820 0.000 0.815 131 A HN 0.388 nan 8.150 nan 0.000 0.443 132 A N -0.753 121.680 122.820 -0.645 0.000 1.872 132 A HA -0.069 4.251 4.320 0.000 0.000 0.214 132 A C 2.013 179.490 177.584 -0.179 0.000 1.187 132 A CA 1.518 53.349 52.037 -0.342 0.000 0.614 132 A CB -0.463 18.509 19.000 -0.047 0.000 0.826 132 A HN 0.371 nan 8.150 nan 0.000 0.442 133 E N 0.152 120.271 120.200 -0.136 0.000 2.049 133 E HA -0.245 4.105 4.350 0.000 0.000 0.198 133 E C 1.981 178.485 176.600 -0.160 0.000 1.007 133 E CA 1.792 58.130 56.400 -0.104 0.000 0.809 133 E CB -0.215 29.444 29.700 -0.069 0.000 0.749 133 E HN 0.483 nan 8.360 nan 0.000 0.450 134 K N 0.300 120.547 120.400 -0.256 0.000 2.211 134 K HA -0.017 4.303 4.320 0.000 0.000 0.203 134 K C 1.752 178.188 176.600 -0.274 0.000 1.050 134 K CA 1.181 57.236 56.287 -0.387 0.000 0.945 134 K CB -0.322 31.705 32.500 -0.789 0.000 0.732 134 K HN 0.106 nan 8.250 nan 0.000 0.451 135 A N 0.168 122.856 122.820 -0.220 0.000 1.968 135 A HA -0.125 4.196 4.320 0.000 0.000 0.217 135 A C 1.914 179.450 177.584 -0.079 0.000 1.169 135 A CA 1.026 52.985 52.037 -0.130 0.000 0.638 135 A CB -0.357 18.587 19.000 -0.093 0.000 0.812 135 A HN 0.274 nan 8.150 nan 0.000 0.446 136 Q N -0.228 119.525 119.800 -0.078 0.000 2.016 136 Q HA -0.193 4.147 4.340 0.000 0.000 0.200 136 Q C 1.966 177.933 176.000 -0.056 0.000 0.978 136 Q CA 1.741 57.514 55.803 -0.049 0.000 0.833 136 Q CB -0.639 28.074 28.738 -0.042 0.000 0.895 136 Q HN 0.870 nan 8.270 nan 0.000 0.427 137 E N 0.474 120.624 120.200 -0.083 0.000 2.065 137 E HA -0.214 4.136 4.350 0.000 0.000 0.201 137 E C 2.059 178.615 176.600 -0.073 0.000 1.016 137 E CA 1.437 57.786 56.400 -0.085 0.000 0.818 137 E CB -0.180 29.444 29.700 -0.127 0.000 0.749 137 E HN 0.322 nan 8.360 nan 0.000 0.453 138 I N 0.607 121.125 120.570 -0.086 0.000 2.286 138 I HA -0.289 3.882 4.170 0.000 0.000 0.248 138 I C 2.444 178.543 176.117 -0.030 0.000 1.115 138 I CA 0.767 62.032 61.300 -0.059 0.000 1.392 138 I CB -0.228 37.735 38.000 -0.061 0.000 1.065 138 I HN 0.219 nan 8.210 nan 0.000 0.418 139 L N 0.278 121.484 121.223 -0.027 0.000 2.027 139 L HA -0.220 4.120 4.340 0.000 0.000 0.206 139 L C 2.256 179.120 176.870 -0.010 0.000 1.074 139 L CA 1.342 56.175 54.840 -0.011 0.000 0.745 139 L CB -0.627 41.427 42.059 -0.008 0.000 0.898 139 L HN 0.243 nan 8.230 nan 0.000 0.433 140 D N -0.357 120.033 120.400 -0.016 0.000 2.149 140 D HA -0.234 4.406 4.640 0.000 0.000 0.198 140 D C 1.902 178.195 176.300 -0.011 0.000 0.990 140 D CA 1.212 55.204 54.000 -0.013 0.000 0.839 140 D CB -0.004 40.785 40.800 -0.017 0.000 0.948 140 D HN 0.412 nan 8.370 nan 0.000 0.460 141 E N 0.671 120.861 120.200 -0.016 0.000 1.998 141 E HA -0.137 4.214 4.350 0.000 0.000 0.196 141 E C 2.328 178.924 176.600 -0.006 0.000 1.003 141 E CA 0.839 57.231 56.400 -0.013 0.000 0.829 141 E CB -0.152 29.537 29.700 -0.019 0.000 0.777 141 E HN 0.343 nan 8.360 nan 0.000 0.460 142 I N -0.438 120.131 120.570 -0.001 0.000 2.953 142 I HA -0.007 4.163 4.170 0.000 0.000 0.271 142 I C 0.757 176.879 176.117 0.008 0.000 1.286 142 I CA 0.311 61.615 61.300 0.007 0.000 1.449 142 I CB -0.653 37.359 38.000 0.021 0.000 1.086 142 I HN -0.055 nan 8.210 nan 0.000 0.483 143 A N 2.565 125.387 122.820 0.004 0.000 2.515 143 A HA 0.329 4.649 4.320 0.000 0.000 0.263 143 A C 0.423 178.009 177.584 0.003 0.000 1.096 143 A CA -0.216 51.823 52.037 0.004 0.000 0.769 143 A CB -0.552 18.448 19.000 0.001 0.000 1.040 143 A HN 0.471 nan 8.150 nan 0.000 0.505 144 I N 4.785 125.357 120.570 0.004 0.000 2.577 144 I HA -0.004 4.167 4.170 0.000 0.000 0.299 144 I C 0.482 176.599 176.117 -0.000 0.000 1.157 144 I CA -0.199 61.102 61.300 0.002 0.000 1.418 144 I CB -0.271 37.730 38.000 0.003 0.000 1.467 144 I HN 0.525 nan 8.210 nan 0.000 0.624 145 R N 4.343 124.843 120.500 -0.001 0.000 2.538 145 R HA 0.223 4.564 4.340 0.000 0.000 0.282 145 R C -0.241 176.057 176.300 -0.003 0.000 1.009 145 R CA 0.000 56.099 56.100 -0.001 0.000 1.063 145 R CB 0.855 31.155 30.300 0.000 0.000 0.945 145 R HN 0.388 nan 8.270 nan 0.000 0.414 146 V N 1.403 121.313 119.914 -0.006 0.000 3.141 146 V HA 0.200 4.320 4.120 0.000 0.000 0.312 146 V C -0.773 175.314 176.094 -0.012 0.000 1.157 146 V CA -0.940 61.355 62.300 -0.009 0.000 1.041 146 V CB 2.534 34.349 31.823 -0.014 0.000 1.071 146 V HN 0.669 nan 8.190 nan 0.000 0.441 147 D N 3.567 123.959 120.400 -0.013 0.000 2.348 147 D HA 0.273 4.913 4.640 0.000 0.000 0.259 147 D C -1.621 174.656 176.300 -0.039 0.000 1.296 147 D CA -1.625 52.368 54.000 -0.012 0.000 0.931 147 D CB 1.445 42.242 40.800 -0.005 0.000 1.067 147 D HN 0.288 nan 8.370 nan 0.000 0.503 148 P HA -0.208 nan 4.420 nan 0.000 0.222 148 P C -0.025 177.113 177.300 -0.271 0.000 1.152 148 P CA 1.319 64.342 63.100 -0.127 0.000 0.838 148 P CB 0.162 31.836 31.700 -0.044 0.000 0.771 149 D N -4.002 116.298 120.400 -0.167 0.000 2.620 149 D HA 0.044 4.685 4.640 0.000 0.000 0.260 149 D C -0.271 175.985 176.300 -0.073 0.000 1.367 149 D CA -0.408 53.487 54.000 -0.174 0.000 0.805 149 D CB -0.990 39.762 40.800 -0.079 0.000 1.096 149 D HN -0.017 nan 8.370 nan 0.000 0.488 150 D N 1.577 121.942 120.400 -0.059 0.000 2.356 150 D HA -0.046 4.594 4.640 0.000 0.000 0.272 150 D C 1.346 177.626 176.300 -0.032 0.000 1.337 150 D CA 0.203 54.184 54.000 -0.032 0.000 0.970 150 D CB 0.987 41.771 40.800 -0.027 0.000 1.092 150 D HN 0.084 nan 8.370 nan 0.000 0.516 151 E N 3.218 123.406 120.200 -0.021 0.000 2.086 151 E HA -0.315 4.035 4.350 0.000 0.000 0.200 151 E C 1.378 177.969 176.600 -0.014 0.000 1.012 151 E CA 1.962 58.352 56.400 -0.016 0.000 0.812 151 E CB -0.039 29.658 29.700 -0.006 0.000 0.743 151 E HN 0.596 nan 8.360 nan 0.000 0.453 152 E N -0.295 119.898 120.200 -0.011 0.000 2.026 152 E HA -0.230 4.120 4.350 0.000 0.000 0.206 152 E C 2.129 178.722 176.600 -0.011 0.000 1.028 152 E CA 2.911 59.305 56.400 -0.009 0.000 0.845 152 E CB -0.998 28.698 29.700 -0.008 0.000 0.772 152 E HN 0.442 nan 8.360 nan 0.000 0.462 153 T N -1.405 113.140 114.554 -0.014 0.000 2.929 153 T HA -0.119 4.231 4.350 0.000 0.000 0.271 153 T C 1.763 176.452 174.700 -0.018 0.000 1.085 153 T CA 1.101 63.192 62.100 -0.015 0.000 1.125 153 T CB -0.218 68.641 68.868 -0.016 0.000 0.874 153 T HN 0.096 nan 8.240 nan 0.000 0.494 154 L N 0.046 121.254 121.223 -0.024 0.000 2.179 154 L HA 0.285 4.625 4.340 0.000 0.000 0.208 154 L C 2.390 179.252 176.870 -0.013 0.000 1.096 154 L CA 0.884 55.708 54.840 -0.026 0.000 0.779 154 L CB -0.744 41.291 42.059 -0.041 0.000 0.922 154 L HN 0.271 nan 8.230 nan 0.000 0.443 155 L N -0.855 120.363 121.223 -0.009 0.000 2.217 155 L HA -0.143 4.197 4.340 0.000 0.000 0.211 155 L C 2.256 179.125 176.870 -0.001 0.000 1.107 155 L CA 1.298 56.137 54.840 -0.002 0.000 0.783 155 L CB -0.733 41.325 42.059 -0.002 0.000 0.919 155 L HN 0.342 nan 8.230 nan 0.000 0.442 156 K N -0.353 120.045 120.400 -0.004 0.000 1.991 156 K HA -0.078 4.242 4.320 0.000 0.000 0.208 156 K C 1.993 178.595 176.600 0.003 0.000 1.038 156 K CA 0.666 56.952 56.287 -0.002 0.000 0.943 156 K CB -0.016 32.483 32.500 -0.002 0.000 0.736 156 K HN -0.012 nan 8.250 nan 0.000 0.440 157 I N 1.891 122.462 120.570 0.001 0.000 2.130 157 I HA -0.382 3.788 4.170 0.000 0.000 0.241 157 I C 2.547 178.670 176.117 0.009 0.000 1.023 157 I CA 2.019 63.322 61.300 0.004 0.000 1.293 157 I CB -1.341 36.658 38.000 -0.003 0.000 1.001 157 I HN 0.266 nan 8.210 nan 0.000 0.407 158 A N 0.520 123.345 122.820 0.009 0.000 1.865 158 A HA -0.142 4.178 4.320 0.000 0.000 0.217 158 A C 2.535 180.131 177.584 0.020 0.000 1.191 158 A CA 2.430 54.476 52.037 0.016 0.000 0.623 158 A CB -0.937 18.075 19.000 0.019 0.000 0.826 158 A HN 0.492 nan 8.150 nan 0.000 0.444 159 A N -1.343 121.486 122.820 0.015 0.000 1.972 159 A HA -0.058 4.262 4.320 0.000 0.000 0.219 159 A C 2.240 179.835 177.584 0.018 0.000 1.169 159 A CA 2.191 54.236 52.037 0.014 0.000 0.635 159 A CB -1.135 17.866 19.000 0.002 0.000 0.810 159 A HN 0.439 nan 8.150 nan 0.000 0.446 160 T N -0.871 113.695 114.554 0.020 0.000 2.867 160 T HA -0.089 4.261 4.350 0.000 0.000 0.268 160 T C 2.247 176.971 174.700 0.041 0.000 1.057 160 T CA 1.562 63.682 62.100 0.034 0.000 1.136 160 T CB -0.182 68.705 68.868 0.031 0.000 0.874 160 T HN 0.497 nan 8.240 nan 0.000 0.466 161 S N 0.589 116.308 115.700 0.031 0.000 2.371 161 S HA 0.030 4.500 4.470 0.000 0.000 0.224 161 S C 2.004 176.622 174.600 0.031 0.000 1.029 161 S CA 0.623 58.839 58.200 0.028 0.000 0.978 161 S CB -0.392 62.820 63.200 0.020 0.000 0.833 161 S HN 0.450 nan 8.310 nan 0.000 0.466 162 I N 1.166 121.756 120.570 0.032 0.000 2.335 162 I HA -0.109 4.061 4.170 0.000 0.000 0.251 162 I C 0.417 176.563 176.117 0.048 0.000 1.129 162 I CA 0.775 62.096 61.300 0.036 0.000 1.402 162 I CB -0.519 37.504 38.000 0.037 0.000 1.069 162 I HN 0.207 nan 8.210 nan 0.000 0.424 163 T N 1.353 115.944 114.554 0.061 0.000 2.875 163 T HA 0.490 4.840 4.350 0.000 0.000 0.307 163 T C 0.690 175.458 174.700 0.112 0.000 1.013 163 T CA 0.193 62.358 62.100 0.107 0.000 0.970 163 T CB 0.763 69.709 68.868 0.129 0.000 0.986 163 T HN 0.526 nan 8.240 nan 0.000 0.536 164 G N 2.523 111.374 108.800 0.084 0.000 4.362 164 G HA2 0.058 4.018 3.960 0.000 0.000 0.220 164 G HA3 0.058 4.018 3.960 0.000 0.000 0.220 164 G C -0.046 174.871 174.900 0.029 0.000 0.795 164 G CA -0.502 44.626 45.100 0.048 0.000 0.920 164 G HN 0.508 nan 8.290 nan 0.000 0.715 165 K N -0.664 119.759 120.400 0.039 0.000 2.318 165 K HA 0.361 4.681 4.320 0.000 0.000 0.265 165 K C 0.641 177.262 176.600 0.036 0.000 1.055 165 K CA -0.628 55.676 56.287 0.028 0.000 0.896 165 K CB 1.192 33.704 32.500 0.020 0.000 1.479 165 K HN 0.010 nan 8.250 nan 0.000 0.449 166 N N 0.559 119.278 118.700 0.031 0.000 2.080 166 N HA -0.158 4.582 4.740 0.000 0.000 0.189 166 N C 1.553 177.087 175.510 0.040 0.000 1.036 166 N CA 1.340 54.410 53.050 0.034 0.000 0.846 166 N CB -0.033 38.475 38.487 0.035 0.000 1.015 166 N HN 0.581 nan 8.380 nan 0.000 0.423 167 A N 1.777 124.629 122.820 0.052 0.000 2.139 167 A HA -0.216 4.104 4.320 0.000 0.000 0.221 167 A C 1.635 179.260 177.584 0.068 0.000 1.159 167 A CA 1.583 53.670 52.037 0.084 0.000 0.662 167 A CB -0.859 18.189 19.000 0.081 0.000 0.796 167 A HN 0.765 nan 8.150 nan 0.000 0.463 168 E N 0.826 121.049 120.200 0.038 0.000 2.444 168 E HA -0.239 4.111 4.350 0.000 0.000 0.204 168 E C 1.453 178.018 176.600 -0.059 0.000 1.049 168 E CA 1.335 57.745 56.400 0.017 0.000 0.872 168 E CB -0.725 29.007 29.700 0.053 0.000 0.791 168 E HN 0.729 nan 8.360 nan 0.000 0.548 169 S N 0.338 115.950 115.700 -0.147 0.000 2.447 169 S HA -0.148 4.322 4.470 0.000 0.000 0.233 169 S C 0.456 174.694 174.600 -0.604 0.000 1.006 169 S CA 1.122 59.087 58.200 -0.392 0.000 0.957 169 S CB -0.397 62.491 63.200 -0.520 0.000 0.773 169 S HN 0.594 nan 8.310 nan 0.000 0.507 170 H N 0.543 119.617 119.070 0.007 0.000 2.779 170 H HA 0.341 4.897 4.556 0.000 0.000 0.230 170 H C 0.979 176.309 175.328 0.004 0.000 1.365 170 H CA -0.482 55.569 56.048 0.004 0.000 1.086 170 H CB 0.165 29.933 29.762 0.011 0.000 2.038 170 H HN 0.451 nan 8.280 nan 0.000 0.558 171 K N 0.283 120.715 120.400 0.053 0.000 2.211 171 K HA -0.237 4.083 4.320 0.000 0.000 0.204 171 K C 1.560 178.185 176.600 0.041 0.000 1.047 171 K CA 1.767 58.078 56.287 0.039 0.000 0.935 171 K CB 0.418 32.919 32.500 0.001 0.000 0.728 171 K HN 0.213 nan 8.250 nan 0.000 0.452 172 E N 1.735 121.960 120.200 0.042 0.000 1.997 172 E HA -0.229 4.121 4.350 0.000 0.000 0.201 172 E C 1.874 178.501 176.600 0.045 0.000 1.011 172 E CA 1.461 57.882 56.400 0.035 0.000 0.847 172 E CB -0.607 29.114 29.700 0.035 0.000 0.787 172 E HN 0.273 nan 8.360 nan 0.000 0.472 173 L N 0.345 121.605 121.223 0.062 0.000 1.997 173 L HA -0.201 4.139 4.340 0.000 0.000 0.216 173 L C 2.407 179.304 176.870 0.046 0.000 1.074 173 L CA 2.025 56.893 54.840 0.047 0.000 0.763 173 L CB -0.904 41.180 42.059 0.041 0.000 0.890 173 L HN 0.404 nan 8.230 nan 0.000 0.434 174 L N -0.620 120.639 121.223 0.060 0.000 2.083 174 L HA -0.183 4.157 4.340 0.000 0.000 0.209 174 L C 2.652 179.554 176.870 0.054 0.000 1.083 174 L CA 1.266 56.142 54.840 0.061 0.000 0.752 174 L CB -0.963 41.138 42.059 0.070 0.000 0.899 174 L HN 0.417 nan 8.230 nan 0.000 0.433 175 A N -0.030 122.817 122.820 0.044 0.000 1.930 175 A HA -0.224 4.096 4.320 0.000 0.000 0.217 175 A C 2.388 179.990 177.584 0.030 0.000 1.175 175 A CA 1.807 53.864 52.037 0.033 0.000 0.627 175 A CB -0.379 18.635 19.000 0.023 0.000 0.815 175 A HN 0.352 nan 8.150 nan 0.000 0.443 176 K N 0.003 120.420 120.400 0.028 0.000 1.985 176 K HA -0.099 4.221 4.320 0.000 0.000 0.210 176 K C 1.879 178.495 176.600 0.027 0.000 1.047 176 K CA 1.672 57.973 56.287 0.023 0.000 0.932 176 K CB -0.422 32.091 32.500 0.021 0.000 0.716 176 K HN 0.435 nan 8.250 nan 0.000 0.439 177 L N 0.549 121.793 121.223 0.034 0.000 2.042 177 L HA -0.192 4.148 4.340 0.000 0.000 0.210 177 L C 2.721 179.618 176.870 0.045 0.000 1.076 177 L CA 1.387 56.250 54.840 0.038 0.000 0.749 177 L CB -0.773 41.316 42.059 0.051 0.000 0.893 177 L HN 0.364 nan 8.230 nan 0.000 0.432 178 A N -0.295 122.561 122.820 0.060 0.000 1.933 178 A HA -0.110 4.210 4.320 0.000 0.000 0.218 178 A C 2.316 179.926 177.584 0.042 0.000 1.175 178 A CA 1.742 53.821 52.037 0.070 0.000 0.628 178 A CB -0.639 18.408 19.000 0.078 0.000 0.814 178 A HN 0.224 nan 8.150 nan 0.000 0.444 179 V N -0.385 119.545 119.914 0.028 0.000 2.346 179 V HA -0.192 3.928 4.120 0.000 0.000 0.244 179 V C 2.450 178.551 176.094 0.011 0.000 1.037 179 V CA 1.959 64.266 62.300 0.012 0.000 1.029 179 V CB -0.701 31.125 31.823 0.005 0.000 0.663 179 V HN 0.746 nan 8.190 nan 0.000 0.454 180 E N 0.615 120.824 120.200 0.014 0.000 2.085 180 E HA -0.254 4.096 4.350 0.000 0.000 0.194 180 E C 2.207 178.814 176.600 0.011 0.000 0.994 180 E CA 1.525 57.933 56.400 0.013 0.000 0.801 180 E CB -0.227 29.481 29.700 0.014 0.000 0.743 180 E HN 0.549 nan 8.360 nan 0.000 0.453 181 A N 0.286 123.111 122.820 0.007 0.000 1.933 181 A HA -0.126 4.194 4.320 0.000 0.000 0.218 181 A C 2.295 179.876 177.584 -0.005 0.000 1.175 181 A CA 1.470 53.501 52.037 -0.009 0.000 0.628 181 A CB -0.326 18.660 19.000 -0.023 0.000 0.814 181 A HN 0.235 nan 8.150 nan 0.000 0.444 182 V N -0.228 119.691 119.914 0.009 0.000 2.788 182 V HA -0.148 3.972 4.120 0.000 0.000 0.251 182 V C 2.237 178.350 176.094 0.032 0.000 1.068 182 V CA 1.794 64.104 62.300 0.017 0.000 1.090 182 V CB -0.562 31.271 31.823 0.016 0.000 0.710 182 V HN 0.502 nan 8.190 nan 0.000 0.467 183 K N 0.214 120.632 120.400 0.029 0.000 2.001 183 K HA -0.235 4.085 4.320 0.000 0.000 0.208 183 K C 2.290 178.932 176.600 0.069 0.000 1.048 183 K CA 1.633 57.955 56.287 0.057 0.000 0.932 183 K CB -0.250 32.275 32.500 0.041 0.000 0.715 183 K HN 0.279 nan 8.250 nan 0.000 0.437 184 Q N 1.212 121.036 119.800 0.039 0.000 2.077 184 Q HA -0.166 4.174 4.340 0.000 0.000 0.206 184 Q C 1.916 177.933 176.000 0.027 0.000 0.989 184 Q CA 2.153 57.973 55.803 0.029 0.000 0.853 184 Q CB -0.222 28.523 28.738 0.012 0.000 0.907 184 Q HN 0.321 nan 8.270 nan 0.000 0.418 185 V N -2.370 117.556 119.914 0.021 0.000 3.406 185 V HA 0.431 4.551 4.120 0.000 0.000 0.263 185 V C 1.005 177.122 176.094 0.038 0.000 1.172 185 V CA 0.305 62.614 62.300 0.015 0.000 1.140 185 V CB -1.251 30.569 31.823 -0.006 0.000 0.784 185 V HN 0.342 nan 8.190 nan 0.000 0.467 186 A N 0.947 123.814 122.820 0.077 0.000 2.475 186 A HA 0.407 4.727 4.320 0.000 0.000 0.239 186 A C 0.199 177.832 177.584 0.082 0.000 1.087 186 A CA 0.429 52.547 52.037 0.134 0.000 0.779 186 A CB 0.082 19.251 19.000 0.282 0.000 1.036 186 A HN 0.660 nan 8.150 nan 0.000 0.506 187 E N -0.324 119.910 120.200 0.057 0.000 2.302 187 E HA 0.402 4.752 4.350 0.000 0.000 0.263 187 E C -1.024 175.488 176.600 -0.146 0.000 0.897 187 E CA -0.234 56.139 56.400 -0.044 0.000 0.809 187 E CB 1.067 30.755 29.700 -0.020 0.000 1.270 187 E HN 0.505 nan 8.360 nan 0.000 0.410 188 K N 4.333 124.546 120.400 -0.312 0.000 2.572 188 K HA 0.286 4.606 4.320 0.000 0.000 0.244 188 K C -0.280 176.172 176.600 -0.247 0.000 0.965 188 K CA -0.323 55.711 56.287 -0.422 0.000 0.943 188 K CB 0.411 32.305 32.500 -1.011 0.000 1.154 188 K HN 0.379 nan 8.250 nan 0.000 0.447 189 K N 1.741 122.053 120.400 -0.146 0.000 2.548 189 K HA 0.055 4.375 4.320 0.000 0.000 0.209 189 K C 0.529 177.088 176.600 -0.067 0.000 1.420 189 K CA 0.335 56.565 56.287 -0.095 0.000 0.985 189 K CB 0.110 32.569 32.500 -0.068 0.000 1.249 189 K HN 0.419 nan 8.250 nan 0.000 0.557 190 D N 0.498 120.863 120.400 -0.059 0.000 2.349 190 D HA 0.141 4.781 4.640 0.000 0.000 0.224 190 D C 1.146 177.428 176.300 -0.029 0.000 1.029 190 D CA 0.915 54.894 54.000 -0.034 0.000 0.879 190 D CB 0.596 41.383 40.800 -0.022 0.000 0.906 190 D HN 0.464 nan 8.370 nan 0.000 0.528 191 G N 0.585 109.358 108.800 -0.045 0.000 2.905 191 G HA2 -0.199 3.761 3.960 0.000 0.000 0.199 191 G HA3 -0.199 3.761 3.960 0.000 0.000 0.199 191 G C 0.007 174.899 174.900 -0.014 0.000 1.370 191 G CA -0.422 44.663 45.100 -0.025 0.000 0.966 191 G HN 0.307 nan 8.290 nan 0.000 0.522 192 K N 0.355 120.763 120.400 0.012 0.000 2.156 192 K HA 0.630 4.950 4.320 0.000 0.000 0.250 192 K C -0.700 175.950 176.600 0.083 0.000 0.955 192 K CA -0.831 55.509 56.287 0.089 0.000 0.855 192 K CB 1.596 34.152 32.500 0.093 0.000 1.101 192 K HN 0.199 nan 8.250 nan 0.000 0.434 193 Y N 0.306 120.608 120.300 0.003 0.000 2.457 193 Y HA 0.110 4.660 4.550 0.000 0.000 0.341 193 Y C 0.410 176.312 175.900 0.004 0.000 1.240 193 Y CA -0.158 57.944 58.100 0.003 0.000 1.437 193 Y CB 0.617 39.080 38.460 0.004 0.000 1.328 193 Y HN 0.093 nan 8.280 nan 0.000 0.588 194 V N 2.896 122.904 119.914 0.157 0.000 2.532 194 V HA 0.299 4.420 4.120 0.000 0.000 0.294 194 V C -1.066 175.081 176.094 0.088 0.000 1.036 194 V CA -0.935 61.420 62.300 0.092 0.000 0.876 194 V CB 1.520 33.369 31.823 0.044 0.000 1.012 194 V HN 0.471 nan 8.190 nan 0.000 0.432 195 V N 3.353 123.316 119.914 0.080 0.000 2.398 195 V HA 0.460 4.580 4.120 0.000 0.000 0.286 195 V C -0.202 175.917 176.094 0.041 0.000 1.026 195 V CA -0.391 61.948 62.300 0.064 0.000 0.868 195 V CB 1.900 33.761 31.823 0.062 0.000 0.982 195 V HN 0.901 nan 8.190 nan 0.000 0.443 196 D N 4.686 125.104 120.400 0.030 0.000 2.473 196 D HA 0.253 4.893 4.640 0.000 0.000 0.226 196 D C 0.969 177.279 176.300 0.017 0.000 1.089 196 D CA -0.315 53.697 54.000 0.021 0.000 0.883 196 D CB 1.354 42.161 40.800 0.012 0.000 1.029 196 D HN 0.479 nan 8.370 nan 0.000 0.517 197 L N 2.268 123.507 121.223 0.026 0.000 2.447 197 L HA -0.132 4.209 4.340 0.000 0.000 0.225 197 L C 1.449 178.327 176.870 0.015 0.000 1.148 197 L CA 0.628 55.485 54.840 0.029 0.000 0.808 197 L CB -0.062 42.032 42.059 0.058 0.000 0.928 197 L HN 0.328 nan 8.230 nan 0.000 0.448 198 D N 0.129 120.535 120.400 0.010 0.000 2.350 198 D HA -0.118 4.522 4.640 0.000 0.000 0.216 198 D C 1.345 177.626 176.300 -0.031 0.000 0.968 198 D CA 0.739 54.738 54.000 -0.002 0.000 0.894 198 D CB -0.079 40.721 40.800 0.001 0.000 0.909 198 D HN 0.370 nan 8.370 nan 0.000 0.520 199 N N 0.331 119.010 118.700 -0.035 0.000 2.434 199 N HA 0.060 4.800 4.740 0.000 0.000 0.196 199 N C 0.084 175.538 175.510 -0.094 0.000 1.183 199 N CA 0.203 53.220 53.050 -0.054 0.000 0.849 199 N CB 0.963 39.429 38.487 -0.035 0.000 0.992 199 N HN 0.291 nan 8.380 nan 0.000 0.460 200 I N 0.856 121.347 120.570 -0.131 0.000 2.411 200 I HA 0.190 4.360 4.170 0.000 0.000 0.284 200 I C 0.012 175.896 176.117 -0.389 0.000 1.012 200 I CA -0.684 60.458 61.300 -0.262 0.000 1.119 200 I CB 1.794 39.624 38.000 -0.284 0.000 1.261 200 I HN -0.255 nan 8.210 nan 0.000 0.448 201 K N 6.458 126.630 120.400 -0.381 0.000 2.138 201 K HA 0.580 4.900 4.320 0.000 0.000 0.263 201 K C -1.461 174.850 176.600 -0.481 0.000 0.965 201 K CA -0.402 55.695 56.287 -0.318 0.000 0.868 201 K CB 1.211 33.611 32.500 -0.165 0.000 1.083 201 K HN 0.283 nan 8.250 nan 0.000 0.443 202 F N 1.968 121.906 119.950 -0.021 0.000 2.421 202 F HA 0.264 4.791 4.527 0.000 0.000 0.337 202 F C 0.037 175.823 175.800 -0.024 0.000 1.105 202 F CA -0.677 57.313 58.000 -0.017 0.000 1.049 202 F CB 1.772 40.765 39.000 -0.012 0.000 1.139 202 F HN 0.513 nan 8.300 nan 0.000 0.479 203 E N 3.275 123.557 120.200 0.136 0.000 2.186 203 E HA 0.303 4.653 4.350 0.000 0.000 0.255 203 E C -1.387 175.259 176.600 0.077 0.000 0.881 203 E CA -0.674 55.763 56.400 0.063 0.000 0.752 203 E CB 0.800 30.499 29.700 -0.002 0.000 1.176 203 E HN 0.398 nan 8.360 nan 0.000 0.421 204 K N 3.629 124.065 120.400 0.060 0.000 2.211 204 K HA 0.463 4.783 4.320 0.000 0.000 0.275 204 K C -0.513 176.106 176.600 0.031 0.000 1.024 204 K CA -0.839 55.475 56.287 0.045 0.000 0.887 204 K CB 1.153 33.669 32.500 0.027 0.000 1.084 204 K HN 0.085 nan 8.250 nan 0.000 0.463 205 K N 2.201 122.623 120.400 0.037 0.000 2.637 205 K HA 0.302 4.622 4.320 0.000 0.000 0.248 205 K C -0.833 175.788 176.600 0.035 0.000 0.971 205 K CA -0.460 55.849 56.287 0.037 0.000 0.858 205 K CB 1.942 34.473 32.500 0.051 0.000 1.170 205 K HN 0.814 nan 8.250 nan 0.000 0.443 206 A N 1.451 124.289 122.820 0.029 0.000 2.475 206 A HA 0.567 4.887 4.320 0.000 0.000 0.239 206 A C 0.643 178.245 177.584 0.030 0.000 1.087 206 A CA 1.214 53.268 52.037 0.029 0.000 0.779 206 A CB -0.200 18.817 19.000 0.029 0.000 1.036 206 A HN 0.954 nan 8.150 nan 0.000 0.506 207 G N -0.348 108.468 108.800 0.028 0.000 2.619 207 G HA2 0.406 4.366 3.960 0.000 0.000 0.686 207 G HA3 0.406 4.366 3.960 0.000 0.000 0.686 207 G C -0.393 174.519 174.900 0.020 0.000 1.256 207 G CA 0.008 45.123 45.100 0.025 0.000 0.826 207 G HN 1.908 nan 8.290 nan 0.000 0.619 208 E N -2.234 117.975 120.200 0.016 0.000 6.884 208 E HA -0.023 4.327 4.350 0.000 0.000 0.172 208 E C 0.782 177.384 176.600 0.003 0.000 1.455 208 E CA 1.497 57.901 56.400 0.008 0.000 2.484 208 E CB -1.395 28.308 29.700 0.005 0.000 1.770 208 E HN 2.124 nan 8.360 nan 0.000 0.475 209 G N -1.109 107.684 108.800 -0.013 0.000 2.597 209 G HA2 0.501 4.461 3.960 0.000 0.000 0.317 209 G HA3 0.501 4.461 3.960 0.000 0.000 0.317 209 G C 0.763 175.613 174.900 -0.083 0.000 1.230 209 G CA -0.090 44.994 45.100 -0.028 0.000 0.996 209 G HN 0.241 nan 8.290 nan 0.000 0.490 210 V N 0.541 120.353 119.914 -0.170 0.000 3.305 210 V HA -0.050 4.070 4.120 0.000 0.000 0.269 210 V C 2.355 178.246 176.094 -0.338 0.000 1.157 210 V CA 1.198 63.343 62.300 -0.258 0.000 1.157 210 V CB -0.347 31.266 31.823 -0.350 0.000 0.772 210 V HN 0.617 nan 8.190 nan 0.000 0.498 211 E N 0.621 120.635 120.200 -0.310 0.000 2.153 211 E HA -0.162 4.188 4.350 0.000 0.000 0.194 211 E C 1.954 178.497 176.600 -0.095 0.000 0.988 211 E CA 0.861 57.145 56.400 -0.193 0.000 0.811 211 E CB -0.075 29.571 29.700 -0.090 0.000 0.746 211 E HN 0.651 nan 8.360 nan 0.000 0.466 212 E N 0.665 120.822 120.200 -0.071 0.000 2.502 212 E HA 0.062 4.412 4.350 0.000 0.000 0.194 212 E C 0.491 177.078 176.600 -0.022 0.000 1.062 212 E CA -0.007 56.371 56.400 -0.035 0.000 0.867 212 E CB -0.141 29.547 29.700 -0.021 0.000 0.888 212 E HN -0.085 nan 8.360 nan 0.000 0.510 213 S N 1.765 117.444 115.700 -0.034 0.000 2.568 213 S HA 0.140 4.610 4.470 0.000 0.000 0.282 213 S C 0.483 175.088 174.600 0.009 0.000 1.338 213 S CA 0.074 58.272 58.200 -0.002 0.000 1.045 213 S CB 0.441 63.635 63.200 -0.010 0.000 0.873 213 S HN 0.329 nan 8.310 nan 0.000 0.516 214 E N 0.547 120.766 120.200 0.032 0.000 2.437 214 E HA 0.583 4.933 4.350 0.000 0.000 0.280 214 E C -1.661 174.963 176.600 0.039 0.000 1.044 214 E CA -1.035 55.383 56.400 0.030 0.000 0.826 214 E CB 0.748 30.462 29.700 0.023 0.000 1.358 214 E HN 0.321 nan 8.360 nan 0.000 0.459 215 L N 1.229 122.468 121.223 0.027 0.000 2.295 215 L HA 0.519 4.859 4.340 0.000 0.000 0.285 215 L C -1.354 175.531 176.870 0.025 0.000 1.035 215 L CA -0.573 54.278 54.840 0.018 0.000 0.806 215 L CB 1.740 43.805 42.059 0.010 0.000 1.214 215 L HN 0.521 nan 8.230 nan 0.000 0.426 216 V N 5.949 125.878 119.914 0.025 0.000 2.305 216 V HA 0.377 4.497 4.120 0.000 0.000 0.275 216 V C 0.272 176.375 176.094 0.014 0.000 1.020 216 V CA -0.611 61.716 62.300 0.045 0.000 0.811 216 V CB 0.797 32.682 31.823 0.103 0.000 1.031 216 V HN 0.669 nan 8.190 nan 0.000 0.439 217 R N 3.857 124.364 120.500 0.010 0.000 3.097 217 R HA 0.404 4.744 4.340 0.000 0.000 0.212 217 R C 0.977 177.274 176.300 -0.005 0.000 1.651 217 R CA 0.587 56.687 56.100 -0.000 0.000 1.134 217 R CB -0.167 30.138 30.300 0.009 0.000 1.241 217 R HN 0.915 nan 8.270 nan 0.000 0.640 218 G N -0.467 108.321 108.800 -0.020 0.000 2.601 218 G HA2 0.165 4.125 3.960 0.000 0.000 0.080 218 G HA3 0.165 4.125 3.960 0.000 0.000 0.080 218 G C -1.370 173.493 174.900 -0.062 0.000 1.046 218 G CA -0.494 44.585 45.100 -0.036 0.000 1.143 218 G HN 0.160 nan 8.290 nan 0.000 0.507 219 V N -0.161 119.711 119.914 -0.071 0.000 3.012 219 V HA 0.678 4.798 4.120 0.000 0.000 0.307 219 V C -0.769 175.242 176.094 -0.138 0.000 1.166 219 V CA -0.677 61.553 62.300 -0.117 0.000 0.974 219 V CB 1.916 33.636 31.823 -0.172 0.000 1.040 219 V HN 0.810 nan 8.190 nan 0.000 0.428 220 V N 4.650 124.447 119.914 -0.195 0.000 2.448 220 V HA 0.580 4.700 4.120 0.000 0.000 0.295 220 V C -0.414 175.510 176.094 -0.284 0.000 1.025 220 V CA -0.344 61.742 62.300 -0.358 0.000 0.859 220 V CB 1.696 33.238 31.823 -0.470 0.000 0.988 220 V HN 0.664 nan 8.190 nan 0.000 0.431 221 I N 2.891 123.299 120.570 -0.271 0.000 2.530 221 I HA 0.398 4.568 4.170 0.000 0.000 0.297 221 I C -0.543 175.494 176.117 -0.133 0.000 1.011 221 I CA -0.530 60.674 61.300 -0.161 0.000 1.107 221 I CB 2.267 40.210 38.000 -0.095 0.000 1.285 221 I HN 0.531 nan 8.210 nan 0.000 0.436 222 D N 6.401 126.749 120.400 -0.086 0.000 2.631 222 D HA 0.272 4.912 4.640 0.000 0.000 0.227 222 D C -0.491 175.799 176.300 -0.017 0.000 1.146 222 D CA 0.247 54.213 54.000 -0.056 0.000 1.009 222 D CB 0.273 41.046 40.800 -0.045 0.000 1.057 222 D HN 0.260 nan 8.370 nan 0.000 0.509 223 K N 0.862 121.262 120.400 0.001 0.000 2.507 223 K HA 0.474 4.794 4.320 0.000 0.000 0.284 223 K C -0.433 176.187 176.600 0.033 0.000 1.038 223 K CA -0.780 55.525 56.287 0.029 0.000 0.903 223 K CB 2.077 34.616 32.500 0.065 0.000 1.531 223 K HN 0.111 nan 8.250 nan 0.000 0.430 224 E N 0.239 120.459 120.200 0.033 0.000 2.393 224 E HA 0.354 4.705 4.350 0.000 0.000 0.265 224 E C -0.877 175.734 176.600 0.018 0.000 0.941 224 E CA -1.098 55.318 56.400 0.028 0.000 0.801 224 E CB 1.961 31.673 29.700 0.020 0.000 1.313 224 E HN 0.082 nan 8.360 nan 0.000 0.435 225 V N 2.073 121.995 119.914 0.014 0.000 2.415 225 V HA -0.056 4.064 4.120 0.000 0.000 0.267 225 V C 1.183 177.287 176.094 0.017 0.000 1.042 225 V CA 0.242 62.543 62.300 0.002 0.000 1.000 225 V CB 0.969 32.798 31.823 0.010 0.000 1.015 225 V HN 0.580 nan 8.190 nan 0.000 0.478 226 V N 5.123 125.047 119.914 0.016 0.000 3.284 226 V HA -0.098 4.022 4.120 0.000 0.000 0.273 226 V C 0.664 176.805 176.094 0.077 0.000 1.178 226 V CA 1.579 63.899 62.300 0.033 0.000 1.177 226 V CB -0.931 30.909 31.823 0.028 0.000 0.793 226 V HN 0.953 nan 8.190 nan 0.000 0.536 227 H N -1.473 117.582 119.070 -0.026 0.000 2.954 227 H HA 0.336 4.892 4.556 0.000 0.000 0.361 227 H C -2.328 172.988 175.328 -0.021 0.000 1.122 227 H CA -1.290 54.744 56.048 -0.024 0.000 1.217 227 H CB 2.408 32.150 29.762 -0.032 0.000 1.776 227 H HN -0.067 nan 8.280 nan 0.000 0.533 228 P HA -0.103 nan 4.420 nan 0.000 0.216 228 P C 1.068 178.469 177.300 0.169 0.000 1.150 228 P CA 1.154 64.283 63.100 0.048 0.000 0.843 228 P CB 0.385 32.045 31.700 -0.065 0.000 0.787 229 R N -1.602 119.140 120.500 0.403 0.000 2.320 229 R HA 0.240 4.580 4.340 0.000 0.000 0.211 229 R C 0.910 177.229 176.300 0.031 0.000 0.931 229 R CA 0.181 56.380 56.100 0.166 0.000 1.071 229 R CB -0.494 29.875 30.300 0.115 0.000 1.025 229 R HN 0.373 nan 8.270 nan 0.000 0.495 230 M N 0.998 120.629 119.600 0.051 0.000 2.283 230 M HA 0.269 4.749 4.480 0.000 0.000 0.314 230 M C -2.090 174.210 176.300 -0.001 0.000 1.153 230 M CA -1.759 53.530 55.300 -0.018 0.000 1.084 230 M CB 0.434 33.023 32.600 -0.018 0.000 1.468 230 M HN -0.332 nan 8.290 nan 0.000 0.474 231 P HA 0.067 nan 4.420 nan 0.000 0.271 231 P C -0.288 177.013 177.300 0.001 0.000 1.216 231 P CA -0.040 63.058 63.100 -0.004 0.000 0.771 231 P CB 0.555 32.250 31.700 -0.008 0.000 0.864 232 K N 1.855 122.262 120.400 0.011 0.000 2.356 232 K HA 0.086 4.407 4.320 0.000 0.000 0.195 232 K C 0.745 177.360 176.600 0.025 0.000 1.037 232 K CA 0.554 56.853 56.287 0.020 0.000 1.014 232 K CB 0.387 32.901 32.500 0.024 0.000 0.815 232 K HN 0.419 nan 8.250 nan 0.000 0.507 233 R N 0.106 120.617 120.500 0.018 0.000 2.604 233 R HA 0.399 4.739 4.340 0.000 0.000 0.281 233 R C -1.660 174.649 176.300 0.015 0.000 1.020 233 R CA -0.406 55.706 56.100 0.021 0.000 0.899 233 R CB 1.791 32.102 30.300 0.018 0.000 1.205 233 R HN -0.254 nan 8.270 nan 0.000 0.450 234 V N 3.789 123.713 119.914 0.016 0.000 2.577 234 V HA 0.305 4.425 4.120 0.000 0.000 0.303 234 V C -0.018 176.085 176.094 0.015 0.000 1.042 234 V CA -0.921 61.387 62.300 0.014 0.000 0.872 234 V CB 1.670 33.498 31.823 0.008 0.000 0.998 234 V HN 0.821 nan 8.190 nan 0.000 0.423 235 E N 2.130 122.344 120.200 0.025 0.000 4.471 235 E HA 0.137 4.487 4.350 0.000 0.000 0.438 235 E C 0.339 176.968 176.600 0.050 0.000 1.497 235 E CA -0.309 56.113 56.400 0.036 0.000 2.657 235 E CB 0.047 29.774 29.700 0.046 0.000 1.488 235 E HN 0.643 nan 8.360 nan 0.000 0.743 236 N N 1.115 119.884 118.700 0.114 0.000 2.111 236 N HA -0.054 4.686 4.740 0.000 0.000 0.281 236 N C -0.445 175.172 175.510 0.179 0.000 1.384 236 N CA 0.318 53.522 53.050 0.257 0.000 0.994 236 N CB -0.337 38.354 38.487 0.340 0.000 1.411 236 N HN 0.279 nan 8.380 nan 0.000 0.485 237 A N 3.045 125.885 122.820 0.033 0.000 2.331 237 A HA 0.264 4.584 4.320 0.000 0.000 0.283 237 A C 0.304 177.944 177.584 0.094 0.000 1.142 237 A CA -0.610 51.448 52.037 0.034 0.000 0.812 237 A CB 0.703 19.692 19.000 -0.019 0.000 1.074 237 A HN 0.461 nan 8.150 nan 0.000 0.497 238 K N 2.612 123.073 120.400 0.103 0.000 2.292 238 K HA 0.462 4.782 4.320 0.000 0.000 0.270 238 K C -1.171 175.480 176.600 0.085 0.000 1.062 238 K CA 0.224 56.578 56.287 0.112 0.000 0.916 238 K CB 1.111 33.666 32.500 0.093 0.000 1.166 238 K HN 0.616 nan 8.250 nan 0.000 0.458 239 I N 2.489 123.117 120.570 0.098 0.000 2.353 239 I HA 0.279 4.449 4.170 0.000 0.000 0.293 239 I C -0.036 176.153 176.117 0.120 0.000 0.992 239 I CA -0.481 60.892 61.300 0.122 0.000 1.268 239 I CB 1.594 39.694 38.000 0.166 0.000 1.387 239 I HN 0.584 nan 8.210 nan 0.000 0.478 240 A N 7.370 130.263 122.820 0.122 0.000 2.303 240 A HA 0.754 5.074 4.320 0.000 0.000 0.320 240 A C -1.041 176.631 177.584 0.147 0.000 1.192 240 A CA -0.470 51.630 52.037 0.105 0.000 0.821 240 A CB 0.761 19.805 19.000 0.072 0.000 1.188 240 A HN 0.493 nan 8.150 nan 0.000 0.492 241 L N 4.423 125.719 121.223 0.122 0.000 2.301 241 L HA 0.406 4.746 4.340 0.000 0.000 0.278 241 L C -0.570 176.351 176.870 0.084 0.000 1.022 241 L CA -0.242 54.674 54.840 0.128 0.000 0.854 241 L CB 0.812 42.920 42.059 0.083 0.000 1.226 241 L HN 0.493 nan 8.230 nan 0.000 0.429 242 I N 2.907 123.530 120.570 0.088 0.000 2.339 242 I HA 0.273 4.443 4.170 0.000 0.000 0.290 242 I C 0.412 176.562 176.117 0.054 0.000 0.994 242 I CA -0.406 60.929 61.300 0.059 0.000 1.191 242 I CB 1.468 39.500 38.000 0.054 0.000 1.343 242 I HN 0.464 nan 8.210 nan 0.000 0.458 243 N N 6.095 124.817 118.700 0.037 0.000 3.112 243 N HA 0.229 4.969 4.740 0.000 0.000 0.270 243 N C -0.656 174.868 175.510 0.024 0.000 1.385 243 N CA -0.032 53.037 53.050 0.031 0.000 0.986 243 N CB 0.490 38.991 38.487 0.023 0.000 1.261 243 N HN 0.724 nan 8.380 nan 0.000 0.495 244 E N 0.250 120.467 120.200 0.028 0.000 2.375 244 E HA 0.551 4.901 4.350 0.000 0.000 0.280 244 E C -1.531 175.087 176.600 0.029 0.000 0.972 244 E CA -0.933 55.481 56.400 0.024 0.000 0.782 244 E CB 1.340 31.051 29.700 0.019 0.000 1.229 244 E HN 0.306 nan 8.360 nan 0.000 0.439 245 A N 3.234 126.070 122.820 0.028 0.000 2.366 245 A HA 0.372 4.692 4.320 0.000 0.000 0.272 245 A C -0.404 177.202 177.584 0.037 0.000 1.135 245 A CA -0.373 51.682 52.037 0.031 0.000 0.804 245 A CB 0.207 19.223 19.000 0.027 0.000 1.064 245 A HN 0.429 nan 8.150 nan 0.000 0.499 246 L N 3.769 125.017 121.223 0.041 0.000 2.480 246 L HA 0.234 4.574 4.340 0.000 0.000 0.243 246 L C 0.539 177.440 176.870 0.052 0.000 1.315 246 L CA 0.707 55.577 54.840 0.050 0.000 1.231 246 L CB -1.320 40.770 42.059 0.053 0.000 1.444 246 L HN 0.836 nan 8.230 nan 0.000 0.409 247 E N -0.933 119.295 120.200 0.047 0.000 2.412 247 E HA 0.338 4.688 4.350 0.000 0.000 0.279 247 E C -0.841 175.786 176.600 0.045 0.000 0.984 247 E CA -1.124 55.304 56.400 0.046 0.000 0.788 247 E CB 1.488 31.209 29.700 0.036 0.000 1.277 247 E HN -0.204 nan 8.360 nan 0.000 0.455 248 V N 2.690 122.632 119.914 0.047 0.000 2.613 248 V HA -0.128 3.992 4.120 0.000 0.000 0.289 248 V C 0.626 176.743 176.094 0.039 0.000 0.985 248 V CA 0.733 63.061 62.300 0.047 0.000 1.181 248 V CB -1.354 30.497 31.823 0.046 0.000 0.883 248 V HN 0.516 nan 8.190 nan 0.000 0.465 249 K N 4.871 125.295 120.400 0.039 0.000 2.230 249 K HA 0.417 4.737 4.320 0.000 0.000 0.253 249 K C -0.220 176.398 176.600 0.030 0.000 1.008 249 K CA -0.312 55.994 56.287 0.032 0.000 0.910 249 K CB 0.710 33.229 32.500 0.031 0.000 0.994 249 K HN 0.584 nan 8.250 nan 0.000 0.495 250 K N 0.537 120.952 120.400 0.024 0.000 2.477 250 K HA 0.195 4.515 4.320 0.000 0.000 0.255 250 K C -0.694 175.918 176.600 0.019 0.000 0.952 250 K CA -0.734 55.566 56.287 0.022 0.000 0.826 250 K CB 1.987 34.496 32.500 0.016 0.000 1.331 250 K HN 0.674 nan 8.250 nan 0.000 0.437 251 T N -1.080 113.486 114.554 0.019 0.000 2.856 251 T HA 0.049 4.399 4.350 0.000 0.000 0.306 251 T C 0.979 175.687 174.700 0.013 0.000 1.062 251 T CA -0.353 61.757 62.100 0.017 0.000 1.083 251 T CB 0.920 69.799 68.868 0.018 0.000 0.984 251 T HN 0.594 nan 8.240 nan 0.000 0.542 252 E N 0.499 120.706 120.200 0.011 0.000 2.216 252 E HA 0.055 4.405 4.350 0.000 0.000 0.192 252 E C 0.500 177.105 176.600 0.008 0.000 0.988 252 E CA 0.571 56.976 56.400 0.009 0.000 0.834 252 E CB -0.139 29.566 29.700 0.008 0.000 0.772 252 E HN 0.757 nan 8.360 nan 0.000 0.479 253 T N 1.597 116.156 114.554 0.009 0.000 2.794 253 T HA 0.032 4.382 4.350 0.000 0.000 0.296 253 T C -0.339 174.365 174.700 0.007 0.000 0.949 253 T CA -0.573 61.531 62.100 0.008 0.000 1.101 253 T CB 0.799 69.673 68.868 0.009 0.000 0.905 253 T HN 0.020 nan 8.240 nan 0.000 0.516 254 D N 2.190 122.593 120.400 0.004 0.000 2.648 254 D HA 0.245 4.885 4.640 0.000 0.000 0.229 254 D C -0.359 175.943 176.300 0.002 0.000 1.119 254 D CA 0.503 54.505 54.000 0.002 0.000 0.850 254 D CB 0.244 41.044 40.800 0.000 0.000 1.169 254 D HN 0.736 nan 8.370 nan 0.000 0.489 255 A N 3.488 126.308 122.820 -0.000 0.000 2.549 255 A HA 0.643 4.963 4.320 0.000 0.000 0.297 255 A C -0.896 176.680 177.584 -0.013 0.000 1.061 255 A CA -0.840 51.196 52.037 -0.001 0.000 0.690 255 A CB 1.648 20.653 19.000 0.008 0.000 1.287 255 A HN 0.518 nan 8.150 nan 0.000 0.402 256 K N 1.883 122.270 120.400 -0.021 0.000 2.527 256 K HA 0.687 5.007 4.320 0.000 0.000 0.260 256 K C -1.545 175.015 176.600 -0.067 0.000 0.937 256 K CA -0.662 55.598 56.287 -0.045 0.000 0.826 256 K CB 1.602 34.078 32.500 -0.041 0.000 1.359 256 K HN 0.684 nan 8.250 nan 0.000 0.434 257 I N 2.787 123.278 120.570 -0.133 0.000 2.440 257 I HA 0.195 4.365 4.170 0.000 0.000 0.294 257 I C -0.325 175.686 176.117 -0.177 0.000 0.995 257 I CA -0.820 60.344 61.300 -0.225 0.000 1.306 257 I CB 1.135 38.822 38.000 -0.523 0.000 1.407 257 I HN 0.456 nan 8.210 nan 0.000 0.501 258 N N 6.862 125.490 118.700 -0.120 0.000 2.696 258 N HA 0.324 5.064 4.740 0.000 0.000 0.246 258 N C -0.735 174.763 175.510 -0.019 0.000 1.057 258 N CA -0.550 52.467 53.050 -0.055 0.000 0.867 258 N CB 1.270 39.752 38.487 -0.007 0.000 1.141 258 N HN 0.341 nan 8.380 nan 0.000 0.517 259 I N 1.367 121.907 120.570 -0.050 0.000 2.683 259 I HA -0.056 4.114 4.170 0.000 0.000 0.286 259 I C 2.010 178.155 176.117 0.046 0.000 1.175 259 I CA 0.614 61.931 61.300 0.028 0.000 1.429 259 I CB 0.654 38.655 38.000 0.002 0.000 1.371 259 I HN 0.494 nan 8.210 nan 0.000 0.569 260 T N 0.108 114.708 114.554 0.078 0.000 2.969 260 T HA 0.270 4.620 4.350 0.000 0.000 0.250 260 T C 0.421 175.148 174.700 0.046 0.000 1.021 260 T CA 0.436 62.568 62.100 0.053 0.000 1.003 260 T CB 0.074 68.975 68.868 0.055 0.000 1.040 260 T HN 0.580 nan 8.240 nan 0.000 0.492 261 S N 0.436 116.171 115.700 0.059 0.000 2.564 261 S HA 0.595 5.066 4.470 0.000 0.000 0.274 261 S C -2.685 171.945 174.600 0.050 0.000 1.124 261 S CA -1.269 56.958 58.200 0.044 0.000 0.869 261 S CB 1.785 65.007 63.200 0.036 0.000 1.105 261 S HN -0.168 nan 8.310 nan 0.000 0.472 262 P HA -0.213 nan 4.420 nan 0.000 0.217 262 P C 0.880 178.205 177.300 0.041 0.000 1.151 262 P CA 2.087 65.207 63.100 0.035 0.000 0.849 262 P CB -0.255 31.459 31.700 0.023 0.000 0.787 263 D N -0.933 119.488 120.400 0.036 0.000 2.218 263 D HA -0.214 4.426 4.640 0.000 0.000 0.204 263 D C 1.676 178.005 176.300 0.049 0.000 0.976 263 D CA 0.960 54.979 54.000 0.031 0.000 0.853 263 D CB -1.003 39.806 40.800 0.016 0.000 0.939 263 D HN 0.265 nan 8.370 nan 0.000 0.481 264 Q N 0.070 119.921 119.800 0.085 0.000 2.291 264 Q HA -0.011 4.329 4.340 0.000 0.000 0.205 264 Q C 2.348 178.501 176.000 0.256 0.000 0.970 264 Q CA 0.483 56.388 55.803 0.170 0.000 0.876 264 Q CB -0.096 28.813 28.738 0.285 0.000 0.935 264 Q HN 0.461 nan 8.270 nan 0.000 0.455 265 L N -0.124 121.192 121.223 0.155 0.000 2.079 265 L HA -0.211 4.129 4.340 0.000 0.000 0.210 265 L C 2.376 179.322 176.870 0.127 0.000 1.081 265 L CA 0.870 55.785 54.840 0.125 0.000 0.752 265 L CB -0.353 41.745 42.059 0.064 0.000 0.896 265 L HN 0.356 nan 8.230 nan 0.000 0.433 266 M N -0.572 119.085 119.600 0.094 0.000 2.191 266 M HA -0.085 4.395 4.480 0.000 0.000 0.262 266 M C 2.743 179.082 176.300 0.065 0.000 1.083 266 M CA 1.850 57.190 55.300 0.067 0.000 1.154 266 M CB -1.145 31.478 32.600 0.037 0.000 1.344 266 M HN 0.336 nan 8.290 nan 0.000 0.431 267 S N 0.013 115.732 115.700 0.032 0.000 2.402 267 S HA -0.143 4.327 4.470 0.000 0.000 0.233 267 S C 1.948 176.514 174.600 -0.057 0.000 1.030 267 S CA 1.212 59.383 58.200 -0.048 0.000 1.003 267 S CB -1.034 62.084 63.200 -0.136 0.000 0.813 267 S HN 0.368 nan 8.310 nan 0.000 0.477 268 F N 0.630 120.585 119.950 0.009 0.000 2.234 268 F HA 0.238 4.765 4.527 0.000 0.000 0.296 268 F C 2.051 177.859 175.800 0.013 0.000 1.089 268 F CA 0.286 58.292 58.000 0.011 0.000 1.343 268 F CB -0.208 38.797 39.000 0.008 0.000 1.040 268 F HN 0.182 nan 8.300 nan 0.000 0.498 269 L N 0.185 121.531 121.223 0.206 0.000 2.131 269 L HA -0.183 4.157 4.340 0.000 0.000 0.210 269 L C 1.998 178.924 176.870 0.093 0.000 1.092 269 L CA 1.753 56.665 54.840 0.119 0.000 0.759 269 L CB -0.646 41.460 42.059 0.078 0.000 0.903 269 L HN 0.141 nan 8.230 nan 0.000 0.435 270 E N -1.618 118.629 120.200 0.077 0.000 2.170 270 E HA -0.214 4.136 4.350 0.000 0.000 0.191 270 E C 1.981 178.613 176.600 0.052 0.000 0.981 270 E CA 0.439 56.873 56.400 0.057 0.000 0.830 270 E CB -0.077 29.642 29.700 0.033 0.000 0.775 270 E HN 0.306 nan 8.360 nan 0.000 0.470 271 Q N 1.715 121.542 119.800 0.045 0.000 2.181 271 Q HA -0.200 4.140 4.340 0.000 0.000 0.205 271 Q C 1.464 177.504 176.000 0.067 0.000 0.980 271 Q CA 1.619 57.443 55.803 0.035 0.000 0.862 271 Q CB 0.054 28.804 28.738 0.020 0.000 0.905 271 Q HN 0.336 nan 8.270 nan 0.000 0.429 272 E N -0.259 119.997 120.200 0.092 0.000 2.086 272 E HA -0.117 4.233 4.350 0.000 0.000 0.190 272 E C 1.829 178.485 176.600 0.093 0.000 0.975 272 E CA 0.955 57.409 56.400 0.090 0.000 0.813 272 E CB -0.013 29.742 29.700 0.092 0.000 0.768 272 E HN 0.576 nan 8.360 nan 0.000 0.457 273 E N 1.406 121.669 120.200 0.105 0.000 2.153 273 E HA -0.198 4.152 4.350 0.000 0.000 0.194 273 E C 2.005 178.688 176.600 0.139 0.000 0.988 273 E CA 0.744 57.241 56.400 0.163 0.000 0.811 273 E CB -0.088 29.722 29.700 0.183 0.000 0.746 273 E HN 0.084 nan 8.360 nan 0.000 0.466 274 K N 0.983 121.426 120.400 0.071 0.000 2.057 274 K HA -0.080 4.240 4.320 0.000 0.000 0.206 274 K C 2.163 178.771 176.600 0.014 0.000 1.050 274 K CA 1.005 57.302 56.287 0.016 0.000 0.935 274 K CB 0.020 32.525 32.500 0.009 0.000 0.715 274 K HN 0.095 nan 8.250 nan 0.000 0.439 275 M N 0.495 120.121 119.600 0.042 0.000 2.213 275 M HA -0.170 4.310 4.480 0.000 0.000 0.263 275 M C 1.975 178.310 176.300 0.057 0.000 1.062 275 M CA 0.990 56.319 55.300 0.048 0.000 1.105 275 M CB -0.144 32.490 32.600 0.057 0.000 1.385 275 M HN 0.104 nan 8.290 nan 0.000 0.417 276 L N 0.481 121.751 121.223 0.078 0.000 2.007 276 L HA -0.120 4.220 4.340 0.000 0.000 0.205 276 L C 2.424 179.340 176.870 0.076 0.000 1.073 276 L CA 1.833 56.739 54.840 0.110 0.000 0.744 276 L CB -0.777 41.386 42.059 0.174 0.000 0.898 276 L HN 0.207 nan 8.230 nan 0.000 0.435 277 K N -0.668 119.716 120.400 -0.026 0.000 2.211 277 K HA -0.211 4.109 4.320 0.000 0.000 0.204 277 K C 1.418 177.900 176.600 -0.197 0.000 1.047 277 K CA 1.608 57.650 56.287 -0.409 0.000 0.935 277 K CB -0.040 31.911 32.500 -0.916 0.000 0.728 277 K HN 0.318 nan 8.250 nan 0.000 0.452 278 D N 0.321 120.672 120.400 -0.081 0.000 2.183 278 D HA -0.097 4.543 4.640 0.000 0.000 0.203 278 D C 1.878 178.210 176.300 0.053 0.000 0.969 278 D CA 1.028 55.004 54.000 -0.039 0.000 0.842 278 D CB 0.034 40.830 40.800 -0.006 0.000 0.957 278 D HN 0.334 nan 8.370 nan 0.000 0.484 279 M N 0.025 119.681 119.600 0.092 0.000 2.123 279 M HA -0.099 4.381 4.480 0.000 0.000 0.263 279 M C 2.305 178.689 176.300 0.139 0.000 1.069 279 M CA 0.834 56.220 55.300 0.144 0.000 1.133 279 M CB -0.193 32.469 32.600 0.103 0.000 1.356 279 M HN -0.137 nan 8.290 nan 0.000 0.415 280 V N 0.763 120.740 119.914 0.106 0.000 2.469 280 V HA -0.271 3.849 4.120 0.000 0.000 0.251 280 V C 1.694 177.912 176.094 0.208 0.000 1.064 280 V CA 1.782 64.164 62.300 0.137 0.000 1.066 280 V CB -0.803 31.078 31.823 0.098 0.000 0.667 280 V HN 0.390 nan 8.190 nan 0.000 0.461 281 D N -1.087 119.396 120.400 0.138 0.000 2.097 281 D HA -0.147 4.493 4.640 0.000 0.000 0.197 281 D C 2.159 178.465 176.300 0.009 0.000 0.984 281 D CA 1.161 55.203 54.000 0.070 0.000 0.826 281 D CB -0.391 40.366 40.800 -0.071 0.000 0.973 281 D HN 0.435 nan 8.370 nan 0.000 0.460 282 H N 0.003 119.090 119.070 0.028 0.000 2.492 282 H HA -0.053 4.503 4.556 0.000 0.000 0.296 282 H C 2.167 177.507 175.328 0.019 0.000 1.095 282 H CA 0.683 56.740 56.048 0.014 0.000 1.281 282 H CB 0.106 29.878 29.762 0.016 0.000 1.374 282 H HN 0.260 nan 8.280 nan 0.000 0.545 283 I N -0.435 120.230 120.570 0.158 0.000 2.385 283 I HA -0.102 4.068 4.170 0.000 0.000 0.244 283 I C 2.696 178.855 176.117 0.070 0.000 1.089 283 I CA 0.733 62.099 61.300 0.110 0.000 1.410 283 I CB -0.265 37.802 38.000 0.112 0.000 1.117 283 I HN 0.076 nan 8.210 nan 0.000 0.429 284 A N 0.300 123.159 122.820 0.066 0.000 2.024 284 A HA -0.251 4.069 4.320 0.000 0.000 0.220 284 A C 2.187 179.716 177.584 -0.092 0.000 1.164 284 A CA 1.499 53.513 52.037 -0.039 0.000 0.643 284 A CB -0.611 18.237 19.000 -0.252 0.000 0.806 284 A HN 0.492 nan 8.150 nan 0.000 0.451 285 Q N -0.670 119.088 119.800 -0.070 0.000 2.124 285 Q HA -0.148 4.192 4.340 0.000 0.000 0.202 285 Q C 2.150 178.136 176.000 -0.023 0.000 0.977 285 Q CA 1.913 57.679 55.803 -0.062 0.000 0.850 285 Q CB -0.444 28.269 28.738 -0.042 0.000 0.901 285 Q HN 0.897 nan 8.270 nan 0.000 0.429 286 T N -3.571 110.988 114.554 0.008 0.000 3.113 286 T HA 0.125 4.475 4.350 0.000 0.000 0.263 286 T C 1.391 176.097 174.700 0.010 0.000 1.143 286 T CA 0.683 62.793 62.100 0.018 0.000 1.090 286 T CB 0.200 69.089 68.868 0.035 0.000 0.922 286 T HN 0.477 nan 8.240 nan 0.000 0.521 287 G N 1.050 109.848 108.800 -0.004 0.000 2.176 287 G HA2 -0.048 3.912 3.960 0.000 0.000 0.253 287 G HA3 -0.048 3.912 3.960 0.000 0.000 0.253 287 G C 0.280 175.190 174.900 0.016 0.000 0.979 287 G CA -0.121 44.977 45.100 -0.003 0.000 0.641 287 G HN 1.228 nan 8.290 nan 0.000 0.530 288 A N 0.364 123.200 122.820 0.027 0.000 2.492 288 A HA 0.544 4.864 4.320 0.000 0.000 0.254 288 A C 1.061 178.663 177.584 0.030 0.000 1.091 288 A CA 0.946 53.005 52.037 0.037 0.000 0.768 288 A CB 0.081 19.108 19.000 0.045 0.000 1.028 288 A HN 1.065 nan 8.150 nan 0.000 0.498 289 N N 0.810 119.526 118.700 0.027 0.000 2.205 289 N HA 0.255 4.995 4.740 0.000 0.000 0.201 289 N C -0.718 174.785 175.510 -0.012 0.000 1.128 289 N CA 0.004 53.063 53.050 0.016 0.000 0.867 289 N CB 0.711 39.210 38.487 0.020 0.000 0.996 289 N HN 0.217 nan 8.380 nan 0.000 0.503 290 V N 0.637 120.538 119.914 -0.022 0.000 2.655 290 V HA 0.420 4.540 4.120 0.000 0.000 0.301 290 V C -1.070 174.957 176.094 -0.111 0.000 1.082 290 V CA -0.894 61.347 62.300 -0.097 0.000 0.899 290 V CB 2.193 33.978 31.823 -0.064 0.000 1.014 290 V HN -0.084 nan 8.190 nan 0.000 0.429 291 V N 4.762 124.547 119.914 -0.215 0.000 2.540 291 V HA 0.595 4.715 4.120 0.000 0.000 0.302 291 V C -0.962 174.941 176.094 -0.319 0.000 1.035 291 V CA -0.601 61.613 62.300 -0.143 0.000 0.873 291 V CB 1.991 33.782 31.823 -0.054 0.000 0.992 291 V HN 0.681 nan 8.190 nan 0.000 0.428 292 F N 3.058 123.017 119.950 0.015 0.000 2.403 292 F HA 0.619 5.146 4.527 0.000 0.000 0.355 292 F C -0.001 175.805 175.800 0.011 0.000 1.119 292 F CA -0.725 57.280 58.000 0.008 0.000 1.007 292 F CB 1.961 40.961 39.000 -0.000 0.000 1.194 292 F HN 0.225 nan 8.300 nan 0.000 0.443 293 V N 4.102 124.099 119.914 0.138 0.000 2.435 293 V HA 0.215 4.335 4.120 0.000 0.000 0.290 293 V C 0.668 176.818 176.094 0.093 0.000 1.030 293 V CA -0.525 61.831 62.300 0.094 0.000 0.881 293 V CB 1.582 33.438 31.823 0.054 0.000 0.983 293 V HN 0.855 nan 8.190 nan 0.000 0.445 294 Q N 2.830 122.673 119.800 0.073 0.000 2.096 294 Q HA -0.023 4.317 4.340 0.000 0.000 0.197 294 Q C 1.070 177.095 176.000 0.042 0.000 0.964 294 Q CA 1.005 56.840 55.803 0.054 0.000 0.838 294 Q CB 0.306 29.068 28.738 0.039 0.000 0.906 294 Q HN 0.643 nan 8.270 nan 0.000 0.444 295 K N -0.222 120.200 120.400 0.038 0.000 2.868 295 K HA 0.307 4.627 4.320 0.000 0.000 0.304 295 K C 0.428 177.047 176.600 0.032 0.000 1.007 295 K CA 0.131 56.436 56.287 0.031 0.000 1.123 295 K CB -0.658 31.858 32.500 0.027 0.000 1.408 295 K HN 0.172 nan 8.250 nan 0.000 0.522 296 G N -0.077 108.740 108.800 0.028 0.000 2.557 296 G HA2 0.567 4.527 3.960 0.000 0.000 0.292 296 G HA3 0.567 4.527 3.960 0.000 0.000 0.292 296 G C -0.547 174.371 174.900 0.031 0.000 1.237 296 G CA -0.627 44.489 45.100 0.028 0.000 0.978 296 G HN 0.329 nan 8.290 nan 0.000 0.498 297 I N 0.354 120.943 120.570 0.031 0.000 2.497 297 I HA 0.139 4.309 4.170 0.000 0.000 0.284 297 I C -0.804 175.336 176.117 0.038 0.000 1.060 297 I CA -0.618 60.704 61.300 0.036 0.000 1.071 297 I CB 2.031 40.052 38.000 0.035 0.000 1.216 297 I HN 0.401 nan 8.210 nan 0.000 0.442 298 D N 3.899 124.324 120.400 0.042 0.000 2.370 298 D HA -0.061 4.579 4.640 0.000 0.000 0.235 298 D C 0.902 177.227 176.300 0.041 0.000 1.228 298 D CA 0.637 54.660 54.000 0.039 0.000 0.884 298 D CB 0.919 41.747 40.800 0.047 0.000 1.201 298 D HN 0.456 nan 8.370 nan 0.000 0.456 299 D N 0.783 121.201 120.400 0.029 0.000 2.224 299 D HA -0.081 4.559 4.640 0.000 0.000 0.205 299 D C 1.968 178.286 176.300 0.029 0.000 0.965 299 D CA 0.541 54.562 54.000 0.035 0.000 0.852 299 D CB 0.118 40.922 40.800 0.008 0.000 0.947 299 D HN 0.336 nan 8.370 nan 0.000 0.494 300 L N 0.822 122.044 121.223 -0.001 0.000 2.049 300 L HA -0.063 4.277 4.340 0.000 0.000 0.203 300 L C 2.594 179.458 176.870 -0.010 0.000 1.074 300 L CA 0.840 55.641 54.840 -0.065 0.000 0.749 300 L CB -0.406 41.637 42.059 -0.027 0.000 0.907 300 L HN -0.041 nan 8.230 nan 0.000 0.439 301 A N -0.437 122.437 122.820 0.089 0.000 1.958 301 A HA -0.317 4.003 4.320 0.000 0.000 0.221 301 A C 2.129 179.747 177.584 0.057 0.000 1.178 301 A CA 1.961 54.075 52.037 0.128 0.000 0.642 301 A CB -0.571 18.487 19.000 0.097 0.000 0.816 301 A HN 0.534 nan 8.150 nan 0.000 0.453 302 Q N -1.945 117.879 119.800 0.040 0.000 2.167 302 Q HA -0.174 4.166 4.340 0.000 0.000 0.202 302 Q C 2.150 178.083 176.000 -0.112 0.000 0.970 302 Q CA 1.273 57.092 55.803 0.027 0.000 0.855 302 Q CB -0.260 28.576 28.738 0.162 0.000 0.911 302 Q HN 0.935 nan 8.270 nan 0.000 0.438 303 H N -0.506 118.436 119.070 -0.213 0.000 2.363 303 H HA -0.130 4.426 4.556 0.000 0.000 0.301 303 H C 1.348 176.427 175.328 -0.414 0.000 1.074 303 H CA 1.369 57.199 56.048 -0.364 0.000 1.354 303 H CB 0.158 29.698 29.762 -0.370 0.000 1.397 303 H HN 0.261 nan 8.280 nan 0.000 0.516 304 Y N 0.849 120.985 120.300 -0.272 0.000 2.242 304 Y HA -0.120 4.430 4.550 0.000 0.000 0.291 304 Y C 2.938 178.437 175.900 -0.668 0.000 1.137 304 Y CA 0.677 58.470 58.100 -0.511 0.000 1.181 304 Y CB -0.552 37.679 38.460 -0.382 0.000 0.989 304 Y HN 0.121 nan 8.280 nan 0.000 0.527 305 L N -0.933 120.143 121.223 -0.246 0.000 2.046 305 L HA -0.234 4.106 4.340 0.000 0.000 0.208 305 L C 2.659 179.394 176.870 -0.225 0.000 1.077 305 L CA 1.163 55.897 54.840 -0.178 0.000 0.747 305 L CB -0.827 41.179 42.059 -0.088 0.000 0.896 305 L HN 0.214 nan 8.230 nan 0.000 0.432 306 A N 0.031 122.636 122.820 -0.358 0.000 1.908 306 A HA -0.239 4.081 4.320 0.000 0.000 0.218 306 A C 2.322 179.723 177.584 -0.305 0.000 1.181 306 A CA 1.789 53.586 52.037 -0.400 0.000 0.627 306 A CB -0.366 18.186 19.000 -0.748 0.000 0.818 306 A HN 0.323 nan 8.150 nan 0.000 0.445 307 K N -1.218 118.946 120.400 -0.393 0.000 2.057 307 K HA -0.122 4.198 4.320 0.000 0.000 0.207 307 K C 1.505 178.094 176.600 -0.019 0.000 1.049 307 K CA 1.668 57.801 56.287 -0.255 0.000 0.931 307 K CB -0.377 31.930 32.500 -0.323 0.000 0.714 307 K HN 0.732 nan 8.250 nan 0.000 0.440 308 Y N 0.486 120.744 120.300 -0.070 0.000 2.619 308 Y HA -0.048 4.502 4.550 0.000 0.000 0.308 308 Y C 1.325 177.195 175.900 -0.048 0.000 1.192 308 Y CA -0.218 57.855 58.100 -0.044 0.000 1.319 308 Y CB 0.008 38.452 38.460 -0.028 0.000 1.030 308 Y HN 0.328 nan 8.280 nan 0.000 0.517 309 G N 1.579 110.418 108.800 0.066 0.000 2.179 309 G HA2 -0.320 3.640 3.960 0.000 0.000 0.257 309 G HA3 -0.320 3.640 3.960 0.000 0.000 0.257 309 G C -0.029 174.880 174.900 0.016 0.000 1.010 309 G CA 0.053 45.165 45.100 0.020 0.000 0.736 309 G HN 0.396 nan 8.290 nan 0.000 0.513 310 I N 0.172 120.753 120.570 0.018 0.000 2.472 310 I HA 0.418 4.588 4.170 0.000 0.000 0.290 310 I C 0.809 176.899 176.117 -0.046 0.000 1.016 310 I CA -0.552 60.749 61.300 0.001 0.000 1.348 310 I CB 1.583 39.603 38.000 0.033 0.000 1.417 310 I HN 0.226 nan 8.210 nan 0.000 0.521 311 M N 6.349 125.909 119.600 -0.066 0.000 2.088 311 M HA 0.616 5.096 4.480 0.000 0.000 0.346 311 M C -0.915 175.285 176.300 -0.168 0.000 1.111 311 M CA -0.264 54.978 55.300 -0.098 0.000 1.017 311 M CB 0.943 33.488 32.600 -0.093 0.000 1.568 311 M HN 0.720 nan 8.290 nan 0.000 0.445 312 A N 4.626 127.359 122.820 -0.146 0.000 2.384 312 A HA 0.905 5.225 4.320 0.000 0.000 0.312 312 A C -1.428 176.058 177.584 -0.165 0.000 1.113 312 A CA -0.649 51.280 52.037 -0.180 0.000 0.779 312 A CB 1.851 20.795 19.000 -0.093 0.000 1.307 312 A HN 0.648 nan 8.150 nan 0.000 0.436 313 V N 1.454 121.256 119.914 -0.187 0.000 2.808 313 V HA 0.561 4.681 4.120 0.000 0.000 0.308 313 V C -0.153 175.940 176.094 -0.001 0.000 1.099 313 V CA -0.772 61.481 62.300 -0.078 0.000 0.920 313 V CB 1.771 33.557 31.823 -0.062 0.000 1.014 313 V HN 1.183 nan 8.190 nan 0.000 0.425 314 R N 2.289 122.806 120.500 0.028 0.000 2.810 314 R HA 0.858 5.198 4.340 0.000 0.000 0.245 314 R C -0.307 176.026 176.300 0.054 0.000 1.168 314 R CA -1.069 55.057 56.100 0.043 0.000 1.096 314 R CB 0.542 30.860 30.300 0.031 0.000 1.259 314 R HN 0.347 nan 8.270 nan 0.000 0.518 315 R N -0.616 119.913 120.500 0.047 0.000 3.158 315 R HA -0.118 4.222 4.340 0.000 0.000 0.244 315 R C -1.108 175.221 176.300 0.048 0.000 0.900 315 R CA 0.597 56.721 56.100 0.040 0.000 0.618 315 R CB -1.814 28.503 30.300 0.029 0.000 1.061 315 R HN 0.407 nan 8.270 nan 0.000 0.471 316 V N 1.633 121.587 119.914 0.066 0.000 2.432 316 V HA 0.125 4.245 4.120 0.000 0.000 0.275 316 V C 0.957 177.067 176.094 0.027 0.000 1.043 316 V CA -0.575 61.765 62.300 0.066 0.000 0.925 316 V CB 1.560 33.458 31.823 0.125 0.000 0.985 316 V HN 0.278 nan 8.190 nan 0.000 0.466 317 K N 3.966 124.370 120.400 0.007 0.000 2.491 317 K HA -0.064 4.256 4.320 0.000 0.000 0.279 317 K C 1.353 177.944 176.600 -0.014 0.000 1.026 317 K CA 0.172 56.456 56.287 -0.006 0.000 1.070 317 K CB 0.441 32.932 32.500 -0.015 0.000 0.887 317 K HN 0.615 nan 8.250 nan 0.000 0.481 318 K N 2.380 122.776 120.400 -0.007 0.000 2.107 318 K HA -0.300 4.020 4.320 0.000 0.000 0.211 318 K C 1.723 178.310 176.600 -0.023 0.000 1.049 318 K CA 2.396 58.676 56.287 -0.010 0.000 0.927 318 K CB -0.049 32.448 32.500 -0.005 0.000 0.714 318 K HN 0.692 nan 8.250 nan 0.000 0.452 319 S N 0.115 115.800 115.700 -0.025 0.000 2.383 319 S HA -0.139 4.331 4.470 0.000 0.000 0.227 319 S C 1.531 176.098 174.600 -0.054 0.000 1.026 319 S CA 1.361 59.541 58.200 -0.033 0.000 0.981 319 S CB -0.277 62.907 63.200 -0.027 0.000 0.818 319 S HN 0.324 nan 8.310 nan 0.000 0.472 320 D N 1.268 121.630 120.400 -0.063 0.000 2.144 320 D HA 0.049 4.689 4.640 0.000 0.000 0.200 320 D C 2.035 178.255 176.300 -0.133 0.000 0.978 320 D CA 0.906 54.844 54.000 -0.104 0.000 0.833 320 D CB -0.248 40.490 40.800 -0.104 0.000 0.961 320 D HN 0.242 nan 8.370 nan 0.000 0.470 321 M N 0.507 120.052 119.600 -0.093 0.000 2.065 321 M HA -0.143 4.338 4.480 0.000 0.000 0.259 321 M C 2.007 178.256 176.300 -0.085 0.000 1.069 321 M CA 1.431 56.679 55.300 -0.086 0.000 1.110 321 M CB -1.078 31.504 32.600 -0.031 0.000 1.328 321 M HN 0.108 nan 8.290 nan 0.000 0.405 322 E N -0.000 120.163 120.200 -0.062 0.000 2.118 322 E HA -0.192 4.158 4.350 0.000 0.000 0.195 322 E C 2.042 178.601 176.600 -0.068 0.000 0.992 322 E CA 1.141 57.509 56.400 -0.053 0.000 0.804 322 E CB -0.126 29.551 29.700 -0.038 0.000 0.741 322 E HN 0.514 nan 8.360 nan 0.000 0.458 323 K N 0.411 120.757 120.400 -0.089 0.000 2.097 323 K HA -0.081 4.239 4.320 0.000 0.000 0.205 323 K C 2.136 178.665 176.600 -0.118 0.000 1.050 323 K CA 0.788 57.016 56.287 -0.099 0.000 0.938 323 K CB -0.035 32.396 32.500 -0.114 0.000 0.718 323 K HN 0.135 nan 8.250 nan 0.000 0.442 324 L N 0.433 121.561 121.223 -0.159 0.000 2.156 324 L HA -0.120 4.220 4.340 0.000 0.000 0.208 324 L C 2.573 179.380 176.870 -0.104 0.000 1.095 324 L CA 0.758 55.485 54.840 -0.189 0.000 0.770 324 L CB -0.563 41.299 42.059 -0.327 0.000 0.914 324 L HN 0.173 nan 8.230 nan 0.000 0.439 325 A N 0.578 123.353 122.820 -0.075 0.000 1.865 325 A HA -0.238 4.082 4.320 0.000 0.000 0.217 325 A C 2.345 179.911 177.584 -0.030 0.000 1.191 325 A CA 1.852 53.866 52.037 -0.037 0.000 0.623 325 A CB -0.374 18.609 19.000 -0.028 0.000 0.826 325 A HN 0.303 nan 8.150 nan 0.000 0.444 326 K N -0.551 119.826 120.400 -0.038 0.000 2.097 326 K HA 0.023 4.343 4.320 0.000 0.000 0.205 326 K C 2.273 178.855 176.600 -0.030 0.000 1.050 326 K CA 0.989 57.258 56.287 -0.030 0.000 0.938 326 K CB -0.269 32.211 32.500 -0.034 0.000 0.718 326 K HN 0.444 nan 8.250 nan 0.000 0.442 327 A N 1.082 123.873 122.820 -0.048 0.000 1.930 327 A HA -0.115 4.205 4.320 0.000 0.000 0.217 327 A C 2.101 179.670 177.584 -0.026 0.000 1.175 327 A CA 1.991 54.001 52.037 -0.045 0.000 0.627 327 A CB -0.520 18.435 19.000 -0.074 0.000 0.815 327 A HN 0.438 nan 8.150 nan 0.000 0.443 328 T N -5.695 108.845 114.554 -0.024 0.000 3.054 328 T HA 0.436 4.786 4.350 0.000 0.000 0.255 328 T C 1.384 176.108 174.700 0.040 0.000 1.035 328 T CA 1.040 63.144 62.100 0.006 0.000 0.941 328 T CB 0.433 69.298 68.868 -0.005 0.000 1.026 328 T HN 1.645 nan 8.240 nan 0.000 0.533 329 G N 1.593 110.407 108.800 0.024 0.000 2.184 329 G HA2 -0.128 3.832 3.960 0.000 0.000 0.264 329 G HA3 -0.128 3.832 3.960 0.000 0.000 0.264 329 G C 0.494 175.413 174.900 0.033 0.000 0.975 329 G CA 0.055 45.174 45.100 0.031 0.000 0.642 329 G HN 1.203 nan 8.290 nan 0.000 0.536 330 A N -0.271 122.569 122.820 0.034 0.000 2.366 330 A HA 0.616 4.936 4.320 0.000 0.000 0.250 330 A C 0.584 178.183 177.584 0.025 0.000 1.099 330 A CA 0.726 52.786 52.037 0.039 0.000 0.794 330 A CB 0.357 19.387 19.000 0.051 0.000 1.056 330 A HN 0.473 nan 8.150 nan 0.000 0.499 331 K N 0.346 120.763 120.400 0.028 0.000 2.324 331 K HA 0.495 4.815 4.320 0.000 0.000 0.253 331 K C -1.205 175.408 176.600 0.022 0.000 0.932 331 K CA -0.372 55.926 56.287 0.019 0.000 0.799 331 K CB 2.077 34.586 32.500 0.016 0.000 1.154 331 K HN 0.593 nan 8.250 nan 0.000 0.425 332 I N 3.056 123.635 120.570 0.015 0.000 2.471 332 I HA 0.038 4.208 4.170 0.000 0.000 0.286 332 I C -0.236 175.890 176.117 0.015 0.000 1.079 332 I CA -0.401 60.910 61.300 0.018 0.000 1.398 332 I CB 0.737 38.743 38.000 0.010 0.000 1.403 332 I HN 0.165 nan 8.210 nan 0.000 0.530 333 V N 5.499 125.425 119.914 0.020 0.000 2.581 333 V HA 0.237 4.357 4.120 0.000 0.000 0.303 333 V C 0.629 176.728 176.094 0.009 0.000 1.041 333 V CA -0.480 61.827 62.300 0.011 0.000 0.907 333 V CB 1.534 33.363 31.823 0.010 0.000 0.994 333 V HN 0.761 nan 8.190 nan 0.000 0.442 334 T N 2.096 116.650 114.554 0.001 0.000 3.060 334 T HA 0.119 4.469 4.350 0.000 0.000 0.249 334 T C 0.558 175.254 174.700 -0.007 0.000 1.079 334 T CA 0.496 62.596 62.100 0.001 0.000 1.013 334 T CB -0.265 68.602 68.868 -0.001 0.000 0.975 334 T HN 0.565 nan 8.240 nan 0.000 0.518 335 N N 1.158 119.847 118.700 -0.019 0.000 2.533 335 N HA 0.142 4.882 4.740 0.000 0.000 0.289 335 N C 0.983 176.454 175.510 -0.065 0.000 1.103 335 N CA -0.189 52.837 53.050 -0.040 0.000 0.877 335 N CB 1.880 40.337 38.487 -0.049 0.000 1.419 335 N HN -0.065 nan 8.380 nan 0.000 0.517 336 V N 2.431 122.308 119.914 -0.063 0.000 2.568 336 V HA -0.161 3.960 4.120 0.000 0.000 0.253 336 V C 2.052 177.996 176.094 -0.249 0.000 1.072 336 V CA 1.333 63.588 62.300 -0.075 0.000 1.084 336 V CB -0.544 31.278 31.823 -0.001 0.000 0.676 336 V HN 0.512 nan 8.190 nan 0.000 0.469 337 K N 0.471 120.632 120.400 -0.399 0.000 2.152 337 K HA -0.150 4.170 4.320 0.000 0.000 0.206 337 K C 1.116 177.477 176.600 -0.398 0.000 1.048 337 K CA 1.868 57.702 56.287 -0.755 0.000 0.933 337 K CB -0.195 32.059 32.500 -0.410 0.000 0.721 337 K HN 0.483 nan 8.250 nan 0.000 0.447 338 D N 0.080 120.365 120.400 -0.192 0.000 2.491 338 D HA 0.060 4.700 4.640 0.000 0.000 0.228 338 D C -1.138 175.133 176.300 -0.049 0.000 1.183 338 D CA -0.096 53.850 54.000 -0.090 0.000 0.827 338 D CB 0.267 41.032 40.800 -0.059 0.000 0.989 338 D HN -0.052 nan 8.370 nan 0.000 0.494 339 L N 1.626 122.820 121.223 -0.047 0.000 2.260 339 L HA 0.345 4.686 4.340 0.000 0.000 0.289 339 L C 0.390 177.272 176.870 0.020 0.000 1.057 339 L CA -0.078 54.760 54.840 -0.002 0.000 0.811 339 L CB 0.404 42.471 42.059 0.014 0.000 1.184 339 L HN 0.007 nan 8.230 nan 0.000 0.429 340 T N 1.968 116.532 114.554 0.018 0.000 2.936 340 T HA 0.555 4.905 4.350 0.000 0.000 0.282 340 T C -2.082 172.633 174.700 0.025 0.000 1.003 340 T CA -1.893 60.220 62.100 0.022 0.000 1.005 340 T CB 1.471 70.348 68.868 0.015 0.000 1.097 340 T HN 0.414 nan 8.240 nan 0.000 0.532 341 P HA 0.126 nan 4.420 nan 0.000 0.237 341 P C 0.678 177.994 177.300 0.027 0.000 1.178 341 P CA 0.424 63.539 63.100 0.026 0.000 0.766 341 P CB 0.045 31.756 31.700 0.019 0.000 0.876 342 E N -0.836 119.377 120.200 0.021 0.000 2.427 342 E HA -0.080 4.270 4.350 0.000 0.000 0.196 342 E C 1.113 177.728 176.600 0.024 0.000 1.028 342 E CA 0.723 57.135 56.400 0.020 0.000 0.864 342 E CB -0.554 29.154 29.700 0.013 0.000 0.813 342 E HN 0.234 nan 8.360 nan 0.000 0.514 343 D N -0.439 119.977 120.400 0.027 0.000 2.354 343 D HA 0.046 4.686 4.640 0.000 0.000 0.209 343 D C 0.420 176.746 176.300 0.042 0.000 1.015 343 D CA 0.142 54.160 54.000 0.030 0.000 0.867 343 D CB 0.340 41.156 40.800 0.026 0.000 0.933 343 D HN 0.173 nan 8.370 nan 0.000 0.520 344 L N 0.382 121.634 121.223 0.049 0.000 2.453 344 L HA 0.434 4.774 4.340 0.000 0.000 0.261 344 L C 1.173 178.088 176.870 0.075 0.000 1.179 344 L CA -0.334 54.545 54.840 0.065 0.000 0.813 344 L CB 0.810 42.910 42.059 0.067 0.000 1.110 344 L HN -0.085 nan 8.230 nan 0.000 0.466 345 G N -0.253 108.602 108.800 0.092 0.000 2.685 345 G HA2 0.479 4.439 3.960 0.000 0.000 0.298 345 G HA3 0.479 4.439 3.960 0.000 0.000 0.298 345 G C -2.200 172.792 174.900 0.154 0.000 1.277 345 G CA -0.296 44.867 45.100 0.104 0.000 0.986 345 G HN 0.419 nan 8.290 nan 0.000 0.487 346 Y N -0.053 120.267 120.300 0.033 0.000 2.468 346 Y HA 0.701 5.251 4.550 0.000 0.000 0.342 346 Y C -0.291 175.632 175.900 0.038 0.000 1.021 346 Y CA -1.023 57.098 58.100 0.034 0.000 1.079 346 Y CB 2.171 40.645 38.460 0.024 0.000 1.226 346 Y HN 0.828 nan 8.280 nan 0.000 0.460 347 A N 4.990 127.152 122.820 -1.096 0.000 2.465 347 A HA 0.310 4.631 4.320 0.000 0.000 0.292 347 A C 0.304 177.273 177.584 -1.025 0.000 1.041 347 A CA -0.435 51.118 52.037 -0.807 0.000 0.718 347 A CB 1.187 20.012 19.000 -0.292 0.000 1.266 347 A HN 0.966 nan 8.150 nan 0.000 0.403 348 E N 1.068 120.854 120.200 -0.691 0.000 2.160 348 E HA -0.013 4.338 4.350 0.000 0.000 0.195 348 E C -0.206 176.326 176.600 -0.112 0.000 0.991 348 E CA 1.572 57.834 56.400 -0.230 0.000 0.810 348 E CB 0.125 29.830 29.700 0.007 0.000 0.742 348 E HN 0.509 nan 8.360 nan 0.000 0.466 349 V N 0.345 120.192 119.914 -0.112 0.000 2.852 349 V HA 0.215 4.335 4.120 0.000 0.000 0.300 349 V C -1.203 174.886 176.094 -0.008 0.000 1.205 349 V CA -0.868 61.410 62.300 -0.038 0.000 0.940 349 V CB 2.284 34.102 31.823 -0.010 0.000 1.047 349 V HN -0.142 nan 8.190 nan 0.000 0.429 350 V N 3.983 123.910 119.914 0.022 0.000 2.447 350 V HA 0.650 4.770 4.120 0.000 0.000 0.292 350 V C -0.404 175.741 176.094 0.085 0.000 1.021 350 V CA -0.368 61.979 62.300 0.079 0.000 0.850 350 V CB 1.619 33.496 31.823 0.090 0.000 1.005 350 V HN 0.966 nan 8.190 nan 0.000 0.426 351 E N 3.095 123.375 120.200 0.132 0.000 2.367 351 E HA 0.495 4.845 4.350 0.000 0.000 0.273 351 E C -1.126 175.582 176.600 0.181 0.000 0.903 351 E CA -0.749 55.723 56.400 0.120 0.000 0.764 351 E CB 2.499 32.246 29.700 0.079 0.000 1.252 351 E HN 0.742 nan 8.360 nan 0.000 0.446 352 E N 3.666 123.944 120.200 0.130 0.000 2.055 352 E HA 0.275 4.625 4.350 0.000 0.000 0.274 352 E C -0.990 175.696 176.600 0.144 0.000 0.949 352 E CA -0.457 56.026 56.400 0.138 0.000 0.775 352 E CB 0.717 30.465 29.700 0.080 0.000 1.097 352 E HN 0.316 nan 8.360 nan 0.000 0.404 353 R N 3.359 123.999 120.500 0.232 0.000 2.460 353 R HA 0.258 4.598 4.340 0.000 0.000 0.303 353 R C -0.302 176.103 176.300 0.175 0.000 0.968 353 R CA -0.750 55.459 56.100 0.182 0.000 0.889 353 R CB 1.483 31.883 30.300 0.167 0.000 1.123 353 R HN 0.296 nan 8.270 nan 0.000 0.455 354 K N 3.733 124.195 120.400 0.104 0.000 2.180 354 K HA 0.117 4.437 4.320 0.000 0.000 0.250 354 K C -0.862 175.791 176.600 0.087 0.000 1.135 354 K CA -0.394 55.943 56.287 0.083 0.000 1.037 354 K CB 0.227 32.758 32.500 0.051 0.000 1.624 354 K HN 0.255 nan 8.250 nan 0.000 0.382 355 L N 3.840 125.138 121.223 0.125 0.000 2.295 355 L HA 0.274 4.614 4.340 0.000 0.000 0.288 355 L C -0.155 176.762 176.870 0.079 0.000 1.079 355 L CA 0.712 55.625 54.840 0.121 0.000 0.830 355 L CB 0.375 42.562 42.059 0.215 0.000 1.200 355 L HN 0.742 nan 8.230 nan 0.000 0.438 356 A N 3.879 126.733 122.820 0.056 0.000 2.546 356 A HA 0.137 4.457 4.320 0.000 0.000 0.295 356 A C 1.560 179.165 177.584 0.035 0.000 1.455 356 A CA 1.152 53.214 52.037 0.041 0.000 0.730 356 A CB -2.052 16.973 19.000 0.042 0.000 1.111 356 A HN 2.313 nan 8.150 nan 0.000 0.411 357 G N -1.484 107.335 108.800 0.032 0.000 2.507 357 G HA2 -0.286 3.674 3.960 0.000 0.000 0.240 357 G HA3 -0.286 3.674 3.960 0.000 0.000 0.240 357 G C 0.218 175.134 174.900 0.028 0.000 1.119 357 G CA 1.404 46.520 45.100 0.026 0.000 0.664 357 G HN 1.393 nan 8.290 nan 0.000 0.516 358 E N 1.237 121.456 120.200 0.032 0.000 2.318 358 E HA 0.590 4.940 4.350 0.000 0.000 0.265 358 E C 0.131 176.756 176.600 0.042 0.000 1.069 358 E CA -0.569 55.848 56.400 0.030 0.000 0.893 358 E CB 0.471 30.185 29.700 0.022 0.000 1.076 358 E HN 0.327 nan 8.360 nan 0.000 0.414 359 N N 1.769 120.490 118.700 0.034 0.000 2.400 359 N HA 0.424 5.164 4.740 0.000 0.000 0.288 359 N C -0.779 174.750 175.510 0.031 0.000 1.024 359 N CA -0.220 52.858 53.050 0.046 0.000 0.894 359 N CB 1.025 39.535 38.487 0.038 0.000 1.173 359 N HN 0.343 nan 8.380 nan 0.000 0.487 360 M N 1.492 121.118 119.600 0.043 0.000 2.593 360 M HA 0.544 5.024 4.480 0.000 0.000 0.290 360 M C -0.635 175.654 176.300 -0.019 0.000 1.244 360 M CA -0.656 54.614 55.300 -0.051 0.000 0.857 360 M CB 2.522 35.012 32.600 -0.184 0.000 1.738 360 M HN 0.163 nan 8.290 nan 0.000 0.461 361 I N 1.724 122.241 120.570 -0.088 0.000 2.362 361 I HA 0.379 4.549 4.170 0.000 0.000 0.289 361 I C -1.388 174.680 176.117 -0.082 0.000 0.994 361 I CA -0.352 60.967 61.300 0.031 0.000 1.158 361 I CB 0.999 39.079 38.000 0.134 0.000 1.315 361 I HN 0.485 nan 8.210 nan 0.000 0.451 362 F N 6.033 126.012 119.950 0.048 0.000 2.391 362 F HA 0.297 4.824 4.527 0.000 0.000 0.359 362 F C 0.318 176.133 175.800 0.024 0.000 1.122 362 F CA -0.599 57.414 58.000 0.022 0.000 1.120 362 F CB 1.260 40.265 39.000 0.008 0.000 1.142 362 F HN 0.058 nan 8.300 nan 0.000 0.483 363 V N 4.870 124.858 119.914 0.123 0.000 2.218 363 V HA 0.180 4.300 4.120 0.000 0.000 0.261 363 V C 0.151 176.268 176.094 0.038 0.000 1.142 363 V CA -0.498 61.840 62.300 0.064 0.000 0.965 363 V CB -0.357 31.453 31.823 -0.021 0.000 1.190 363 V HN 0.763 nan 8.190 nan 0.000 0.478 364 E N 2.264 122.497 120.200 0.054 0.000 2.405 364 E HA 0.617 4.967 4.350 0.000 0.000 0.249 364 E C 0.903 177.490 176.600 -0.023 0.000 1.028 364 E CA -0.328 56.090 56.400 0.030 0.000 0.897 364 E CB 1.493 31.228 29.700 0.058 0.000 1.262 364 E HN 0.538 nan 8.360 nan 0.000 0.442 365 G N -0.251 108.545 108.800 -0.007 0.000 2.187 365 G HA2 -0.322 3.638 3.960 0.000 0.000 0.261 365 G HA3 -0.322 3.638 3.960 0.000 0.000 0.261 365 G C 0.377 175.273 174.900 -0.008 0.000 1.000 365 G CA 0.315 45.413 45.100 -0.003 0.000 0.718 365 G HN 0.585 nan 8.290 nan 0.000 0.519 366 C N -0.262 119.024 119.300 -0.023 0.000 2.796 366 C HA 0.298 4.758 4.460 0.000 0.000 0.394 366 C C 2.292 177.341 174.990 0.098 0.000 1.276 366 C CA 0.741 59.758 59.018 -0.002 0.000 2.038 366 C CB 0.856 28.592 27.740 -0.008 0.000 2.709 366 C HN 0.768 nan 8.230 nan 0.000 0.709 367 K N 1.354 121.860 120.400 0.176 0.000 1.992 367 K HA -0.154 4.166 4.320 0.000 0.000 0.225 367 K C 0.667 177.317 176.600 0.084 0.000 1.020 367 K CA 1.823 58.210 56.287 0.167 0.000 1.042 367 K CB -0.192 32.408 32.500 0.167 0.000 0.772 367 K HN 0.736 nan 8.250 nan 0.000 0.444 368 N N 1.325 120.062 118.700 0.061 0.000 2.904 368 N HA 0.258 4.998 4.740 0.000 0.000 0.257 368 N C -2.733 172.792 175.510 0.025 0.000 1.363 368 N CA -2.095 50.977 53.050 0.037 0.000 0.856 368 N CB 1.121 39.625 38.487 0.027 0.000 1.166 368 N HN 0.086 nan 8.380 nan 0.000 0.499 369 P HA -0.024 nan 4.420 nan 0.000 0.264 369 P C -0.227 177.072 177.300 -0.003 0.000 1.179 369 P CA 0.113 63.215 63.100 0.002 0.000 0.763 369 P CB 1.046 32.741 31.700 -0.008 0.000 0.806 370 K N 0.895 121.289 120.400 -0.010 0.000 2.373 370 K HA 0.494 4.814 4.320 0.000 0.000 0.202 370 K C -0.105 176.481 176.600 -0.022 0.000 1.025 370 K CA -0.186 56.094 56.287 -0.011 0.000 1.115 370 K CB 0.334 32.828 32.500 -0.010 0.000 0.858 370 K HN 0.621 nan 8.250 nan 0.000 0.525 371 A N -0.669 122.131 122.820 -0.034 0.000 2.577 371 A HA 0.658 4.978 4.320 0.000 0.000 0.297 371 A C -1.685 175.861 177.584 -0.063 0.000 1.060 371 A CA -0.646 51.358 52.037 -0.054 0.000 0.697 371 A CB 1.484 20.447 19.000 -0.062 0.000 1.281 371 A HN -0.053 nan 8.150 nan 0.000 0.402 372 V N 0.740 120.603 119.914 -0.085 0.000 3.159 372 V HA 0.879 4.999 4.120 0.000 0.000 0.308 372 V C -0.757 175.256 176.094 -0.136 0.000 1.190 372 V CA -0.206 62.041 62.300 -0.088 0.000 1.037 372 V CB 2.624 34.408 31.823 -0.064 0.000 1.060 372 V HN 1.107 nan 8.190 nan 0.000 0.437 373 T N 4.975 119.459 114.554 -0.116 0.000 2.807 373 T HA 0.616 4.966 4.350 0.000 0.000 0.279 373 T C -0.593 174.042 174.700 -0.108 0.000 0.993 373 T CA -0.107 61.907 62.100 -0.144 0.000 0.970 373 T CB 1.026 69.830 68.868 -0.106 0.000 0.950 373 T HN 0.489 nan 8.240 nan 0.000 0.441 374 I N 3.798 124.274 120.570 -0.157 0.000 2.330 374 I HA 0.323 4.493 4.170 0.000 0.000 0.289 374 I C -0.581 175.565 176.117 0.049 0.000 1.001 374 I CA -0.873 60.404 61.300 -0.037 0.000 1.193 374 I CB 1.381 39.379 38.000 -0.003 0.000 1.345 374 I HN 0.320 nan 8.210 nan 0.000 0.461 375 L N 8.886 130.152 121.223 0.072 0.000 2.281 375 L HA 0.475 4.815 4.340 0.000 0.000 0.285 375 L C -0.400 176.526 176.870 0.094 0.000 1.074 375 L CA 0.213 55.111 54.840 0.095 0.000 0.817 375 L CB 0.458 42.601 42.059 0.140 0.000 1.168 375 L HN 0.371 nan 8.230 nan 0.000 0.434 376 I N 5.792 126.420 120.570 0.096 0.000 2.359 376 I HA 0.496 4.666 4.170 0.000 0.000 0.294 376 I C -0.046 176.099 176.117 0.047 0.000 0.987 376 I CA -0.698 60.644 61.300 0.071 0.000 1.225 376 I CB 0.849 38.894 38.000 0.074 0.000 1.366 376 I HN 0.500 nan 8.210 nan 0.000 0.466 377 R N 4.095 124.608 120.500 0.022 0.000 2.803 377 R HA 0.875 5.215 4.340 0.000 0.000 0.276 377 R C -0.447 175.853 176.300 -0.002 0.000 0.978 377 R CA -1.052 55.057 56.100 0.014 0.000 0.939 377 R CB 2.076 32.380 30.300 0.007 0.000 1.179 377 R HN 0.893 nan 8.270 nan 0.000 0.472 378 G N -1.015 107.791 108.800 0.010 0.000 2.442 378 G HA2 0.328 4.288 3.960 0.000 0.000 0.296 378 G HA3 0.328 4.288 3.960 0.000 0.000 0.296 378 G C 0.369 175.286 174.900 0.028 0.000 1.564 378 G CA -0.262 44.847 45.100 0.015 0.000 0.828 378 G HN 0.488 nan 8.290 nan 0.000 0.571 379 G N -0.746 108.074 108.800 0.034 0.000 2.440 379 G HA2 0.240 4.200 3.960 0.000 0.000 0.218 379 G HA3 0.240 4.200 3.960 0.000 0.000 0.218 379 G C 0.928 175.855 174.900 0.044 0.000 1.154 379 G CA 2.134 47.255 45.100 0.037 0.000 0.767 379 G HN 1.071 nan 8.290 nan 0.000 0.552 380 T N -2.035 112.554 114.554 0.059 0.000 2.883 380 T HA 0.439 4.789 4.350 0.000 0.000 0.284 380 T C 0.881 175.635 174.700 0.090 0.000 1.041 380 T CA -0.353 61.797 62.100 0.084 0.000 1.007 380 T CB 2.031 70.964 68.868 0.110 0.000 1.220 380 T HN 0.001 nan 8.240 nan 0.000 0.552 381 E N -0.545 119.725 120.200 0.116 0.000 2.208 381 E HA -0.015 4.335 4.350 0.000 0.000 0.193 381 E C 1.430 178.006 176.600 -0.040 0.000 0.988 381 E CA 1.471 57.890 56.400 0.031 0.000 0.828 381 E CB -0.060 29.640 29.700 -0.001 0.000 0.763 381 E HN 0.658 nan 8.360 nan 0.000 0.478 382 H N -1.475 117.598 119.070 0.006 0.000 2.343 382 H HA 0.034 4.590 4.556 0.000 0.000 0.303 382 H C 2.008 177.340 175.328 0.006 0.000 1.068 382 H CA 1.259 57.309 56.048 0.004 0.000 1.359 382 H CB -0.295 29.470 29.762 0.005 0.000 1.402 382 H HN -0.018 nan 8.280 nan 0.000 0.515 383 V N 0.872 120.867 119.914 0.134 0.000 2.282 383 V HA -0.273 3.847 4.120 0.000 0.000 0.249 383 V C 2.345 178.467 176.094 0.047 0.000 1.057 383 V CA 1.921 64.271 62.300 0.084 0.000 1.032 383 V CB -0.570 31.298 31.823 0.076 0.000 0.645 383 V HN 0.362 nan 8.190 nan 0.000 0.447 384 I N -0.017 120.572 120.570 0.031 0.000 2.113 384 I HA -0.242 3.929 4.170 0.000 0.000 0.238 384 I C 2.379 178.482 176.117 -0.022 0.000 1.070 384 I CA 1.882 63.186 61.300 0.006 0.000 1.332 384 I CB -0.562 37.442 38.000 0.006 0.000 1.044 384 I HN 0.341 nan 8.210 nan 0.000 0.402 385 D N 0.283 120.655 120.400 -0.047 0.000 2.182 385 D HA -0.232 4.408 4.640 0.000 0.000 0.201 385 D C 2.002 178.262 176.300 -0.067 0.000 0.986 385 D CA 1.268 55.222 54.000 -0.075 0.000 0.847 385 D CB -0.207 40.524 40.800 -0.116 0.000 0.942 385 D HN 0.310 nan 8.370 nan 0.000 0.467 386 E N 0.475 120.655 120.200 -0.033 0.000 2.072 386 E HA -0.072 4.278 4.350 0.000 0.000 0.190 386 E C 2.105 178.688 176.600 -0.030 0.000 0.982 386 E CA 0.331 56.719 56.400 -0.020 0.000 0.803 386 E CB -0.126 29.584 29.700 0.018 0.000 0.755 386 E HN -0.012 nan 8.360 nan 0.000 0.453 387 V N 1.158 121.064 119.914 -0.014 0.000 2.490 387 V HA -0.227 3.893 4.120 0.000 0.000 0.250 387 V C 2.385 178.437 176.094 -0.070 0.000 1.061 387 V CA 2.167 64.460 62.300 -0.011 0.000 1.064 387 V CB -0.515 31.316 31.823 0.014 0.000 0.670 387 V HN 0.397 nan 8.190 nan 0.000 0.461 388 E N 0.104 120.232 120.200 -0.120 0.000 2.107 388 E HA -0.204 4.146 4.350 0.000 0.000 0.191 388 E C 2.432 178.823 176.600 -0.348 0.000 0.982 388 E CA 0.882 57.114 56.400 -0.279 0.000 0.809 388 E CB -0.035 29.508 29.700 -0.263 0.000 0.756 388 E HN 0.491 nan 8.360 nan 0.000 0.459 389 R N -0.116 120.263 120.500 -0.201 0.000 2.115 389 R HA -0.062 4.278 4.340 0.000 0.000 0.230 389 R C 2.299 178.523 176.300 -0.127 0.000 1.111 389 R CA 0.958 56.961 56.100 -0.161 0.000 0.976 389 R CB -0.132 30.110 30.300 -0.095 0.000 0.870 389 R HN 0.177 nan 8.270 nan 0.000 0.445 390 A N 1.012 123.776 122.820 -0.093 0.000 1.855 390 A HA -0.127 4.193 4.320 0.000 0.000 0.215 390 A C 2.092 179.644 177.584 -0.054 0.000 1.191 390 A CA 1.053 53.062 52.037 -0.047 0.000 0.613 390 A CB -0.558 18.436 19.000 -0.010 0.000 0.829 390 A HN 0.194 nan 8.150 nan 0.000 0.442 391 L N -0.376 120.797 121.223 -0.084 0.000 2.127 391 L HA -0.216 4.124 4.340 0.000 0.000 0.211 391 L C 2.515 179.353 176.870 -0.052 0.000 1.089 391 L CA 1.500 56.320 54.840 -0.034 0.000 0.757 391 L CB -0.570 41.495 42.059 0.011 0.000 0.899 391 L HN 0.486 nan 8.230 nan 0.000 0.434 392 E N -0.146 119.918 120.200 -0.228 0.000 2.150 392 E HA -0.194 4.156 4.350 0.000 0.000 0.193 392 E C 1.514 178.102 176.600 -0.020 0.000 0.985 392 E CA 1.121 57.432 56.400 -0.147 0.000 0.814 392 E CB -0.014 29.540 29.700 -0.243 0.000 0.752 392 E HN 0.549 nan 8.360 nan 0.000 0.466 393 D N 0.592 120.973 120.400 -0.030 0.000 2.149 393 D HA -0.035 4.605 4.640 0.000 0.000 0.206 393 D C 1.986 178.296 176.300 0.018 0.000 0.967 393 D CA 0.978 54.976 54.000 -0.003 0.000 0.848 393 D CB -0.204 40.590 40.800 -0.010 0.000 0.998 393 D HN 0.089 nan 8.370 nan 0.000 0.474 394 A N 0.956 123.789 122.820 0.022 0.000 1.986 394 A HA -0.152 4.168 4.320 0.000 0.000 0.220 394 A C 2.460 180.075 177.584 0.051 0.000 1.171 394 A CA 1.246 53.304 52.037 0.036 0.000 0.640 394 A CB -0.597 18.429 19.000 0.043 0.000 0.811 394 A HN 0.153 nan 8.150 nan 0.000 0.451 395 V N -0.708 119.253 119.914 0.079 0.000 2.535 395 V HA -0.126 3.994 4.120 0.000 0.000 0.246 395 V C 2.303 178.436 176.094 0.065 0.000 1.045 395 V CA 1.966 64.324 62.300 0.096 0.000 1.058 395 V CB -0.419 31.515 31.823 0.184 0.000 0.689 395 V HN 0.513 nan 8.190 nan 0.000 0.461 396 K N 0.176 120.610 120.400 0.057 0.000 2.283 396 K HA -0.104 4.217 4.320 0.000 0.000 0.202 396 K C 1.960 178.575 176.600 0.025 0.000 1.048 396 K CA 1.497 57.808 56.287 0.040 0.000 0.948 396 K CB -0.045 32.475 32.500 0.034 0.000 0.742 396 K HN 0.568 nan 8.250 nan 0.000 0.458 397 V N -2.843 117.084 119.914 0.021 0.000 2.379 397 V HA -0.082 4.038 4.120 0.000 0.000 0.243 397 V C 1.945 178.040 176.094 0.003 0.000 1.035 397 V CA 0.854 63.161 62.300 0.011 0.000 1.035 397 V CB -0.543 31.287 31.823 0.011 0.000 0.673 397 V HN -0.083 nan 8.190 nan 0.000 0.457 398 V N 1.252 121.170 119.914 0.005 0.000 2.688 398 V HA -0.254 3.867 4.120 0.000 0.000 0.256 398 V C 2.687 178.767 176.094 -0.022 0.000 1.084 398 V CA 2.636 64.930 62.300 -0.010 0.000 1.103 398 V CB -1.014 30.809 31.823 -0.000 0.000 0.688 398 V HN 0.757 nan 8.190 nan 0.000 0.480 399 K N -0.099 120.299 120.400 -0.003 0.000 2.076 399 K HA -0.146 4.174 4.320 0.000 0.000 0.204 399 K C 1.752 178.349 176.600 -0.005 0.000 1.051 399 K CA 1.406 57.693 56.287 0.000 0.000 0.949 399 K CB -0.157 32.356 32.500 0.022 0.000 0.726 399 K HN 0.401 nan 8.250 nan 0.000 0.443 400 D N 0.829 121.228 120.400 -0.001 0.000 2.123 400 D HA -0.149 4.491 4.640 0.000 0.000 0.196 400 D C 2.048 178.340 176.300 -0.013 0.000 0.992 400 D CA 1.233 55.232 54.000 -0.001 0.000 0.833 400 D CB -0.105 40.696 40.800 0.002 0.000 0.954 400 D HN 0.074 nan 8.370 nan 0.000 0.455 401 V N 1.390 121.288 119.914 -0.027 0.000 2.270 401 V HA -0.234 3.886 4.120 0.000 0.000 0.245 401 V C 2.628 178.678 176.094 -0.074 0.000 1.043 401 V CA 1.335 63.609 62.300 -0.043 0.000 1.014 401 V CB -0.432 31.363 31.823 -0.047 0.000 0.645 401 V HN 0.187 nan 8.190 nan 0.000 0.447 402 M N -0.577 118.951 119.600 -0.119 0.000 2.195 402 M HA -0.235 4.245 4.480 0.000 0.000 0.260 402 M C 2.064 178.300 176.300 -0.108 0.000 1.066 402 M CA 1.850 57.010 55.300 -0.233 0.000 1.089 402 M CB -0.478 31.928 32.600 -0.324 0.000 1.377 402 M HN 0.466 nan 8.290 nan 0.000 0.411 403 E N -0.264 119.925 120.200 -0.019 0.000 2.190 403 E HA -0.099 4.251 4.350 0.000 0.000 0.191 403 E C 1.215 177.833 176.600 0.030 0.000 0.978 403 E CA 0.716 57.141 56.400 0.041 0.000 0.839 403 E CB 0.192 29.917 29.700 0.042 0.000 0.787 403 E HN 0.477 nan 8.360 nan 0.000 0.473 404 D N -0.413 119.991 120.400 0.007 0.000 2.259 404 D HA 0.046 4.686 4.640 0.000 0.000 0.216 404 D C 1.097 177.399 176.300 0.002 0.000 0.961 404 D CA 1.050 55.055 54.000 0.007 0.000 0.878 404 D CB 0.146 40.948 40.800 0.002 0.000 1.009 404 D HN 0.221 nan 8.370 nan 0.000 0.490 405 G N 0.526 109.318 108.800 -0.013 0.000 2.246 405 G HA2 0.031 3.991 3.960 0.000 0.000 0.273 405 G HA3 0.031 3.991 3.960 0.000 0.000 0.273 405 G C 0.063 174.958 174.900 -0.009 0.000 1.055 405 G CA 0.383 45.474 45.100 -0.016 0.000 0.851 405 G HN 0.680 nan 8.290 nan 0.000 0.500 406 A N -1.346 121.468 122.820 -0.009 0.000 2.459 406 A HA 0.979 5.299 4.320 0.000 0.000 0.296 406 A C 0.034 177.616 177.584 -0.005 0.000 1.039 406 A CA 0.078 52.112 52.037 -0.005 0.000 0.698 406 A CB 1.957 20.956 19.000 -0.001 0.000 1.261 406 A HN 1.940 nan 8.150 nan 0.000 0.405 407 V N 0.192 120.104 119.914 -0.003 0.000 3.181 407 V HA 0.961 5.081 4.120 0.000 0.000 0.314 407 V C -0.569 175.528 176.094 0.006 0.000 1.173 407 V CA -0.984 61.316 62.300 0.000 0.000 1.052 407 V CB 1.664 33.487 31.823 -0.001 0.000 1.123 407 V HN 0.903 nan 8.190 nan 0.000 0.454 408 L N 0.593 121.822 121.223 0.010 0.000 2.469 408 L HA 0.619 4.959 4.340 0.000 0.000 0.256 408 L C -2.759 174.124 176.870 0.022 0.000 1.006 408 L CA -1.744 53.107 54.840 0.017 0.000 0.832 408 L CB 3.327 45.396 42.059 0.018 0.000 1.421 408 L HN 0.546 nan 8.230 nan 0.000 0.410 409 P HA 0.275 nan 4.420 nan 0.000 0.276 409 P C -0.975 176.345 177.300 0.034 0.000 1.244 409 P CA -0.226 62.895 63.100 0.035 0.000 0.801 409 P CB 1.711 33.439 31.700 0.047 0.000 1.006 410 A N 1.036 123.877 122.820 0.035 0.000 3.179 410 A HA 0.644 4.964 4.320 0.000 0.000 0.213 410 A C 1.126 178.729 177.584 0.032 0.000 1.752 410 A CA -0.102 51.954 52.037 0.032 0.000 0.857 410 A CB -1.058 17.964 19.000 0.037 0.000 1.798 410 A HN 0.714 nan 8.150 nan 0.000 0.606 411 G N -2.166 106.650 108.800 0.026 0.000 2.283 411 G HA2 0.188 4.148 3.960 0.000 0.000 0.280 411 G HA3 0.188 4.148 3.960 0.000 0.000 0.280 411 G C 1.635 176.537 174.900 0.002 0.000 1.029 411 G CA 1.281 46.392 45.100 0.017 0.000 0.840 411 G HN 2.613 nan 8.290 nan 0.000 0.505 412 G N -1.453 107.344 108.800 -0.006 0.000 2.189 412 G HA2 0.004 3.965 3.960 0.000 0.000 0.267 412 G HA3 0.004 3.965 3.960 0.000 0.000 0.267 412 G C 1.815 176.690 174.900 -0.041 0.000 0.975 412 G CA 1.490 46.575 45.100 -0.025 0.000 0.644 412 G HN 2.127 nan 8.290 nan 0.000 0.537 413 A N 1.024 123.838 122.820 -0.011 0.000 1.917 413 A HA 0.072 4.392 4.320 0.000 0.000 0.219 413 A C 0.652 178.226 177.584 -0.017 0.000 1.182 413 A CA 2.606 54.645 52.037 0.004 0.000 0.633 413 A CB -1.107 17.950 19.000 0.095 0.000 0.819 413 A HN 0.490 nan 8.150 nan 0.000 0.448 414 P HA -0.134 nan 4.420 nan 0.000 0.217 414 P C 1.211 178.500 177.300 -0.019 0.000 1.151 414 P CA 1.345 64.452 63.100 0.012 0.000 0.828 414 P CB -0.053 31.658 31.700 0.017 0.000 0.788 415 E N -0.159 120.019 120.200 -0.036 0.000 2.107 415 E HA -0.099 4.251 4.350 0.000 0.000 0.191 415 E C 2.129 178.684 176.600 -0.075 0.000 0.982 415 E CA 0.982 57.359 56.400 -0.037 0.000 0.809 415 E CB -1.148 28.531 29.700 -0.035 0.000 0.756 415 E HN 0.304 nan 8.360 nan 0.000 0.459 416 I N 1.444 121.921 120.570 -0.155 0.000 2.163 416 I HA -0.280 3.890 4.170 0.000 0.000 0.243 416 I C 2.755 178.699 176.117 -0.288 0.000 1.085 416 I CA 1.729 62.867 61.300 -0.269 0.000 1.347 416 I CB -0.270 37.442 38.000 -0.480 0.000 1.044 416 I HN 0.111 nan 8.210 nan 0.000 0.408 417 E N 1.541 121.569 120.200 -0.286 0.000 2.051 417 E HA -0.205 4.145 4.350 0.000 0.000 0.192 417 E C 2.208 178.817 176.600 0.015 0.000 0.991 417 E CA 1.399 57.791 56.400 -0.013 0.000 0.799 417 E CB -0.273 29.523 29.700 0.159 0.000 0.748 417 E HN 0.395 nan 8.360 nan 0.000 0.449 418 L N -0.105 121.118 121.223 0.001 0.000 2.131 418 L HA -0.145 4.195 4.340 0.000 0.000 0.210 418 L C 2.447 179.337 176.870 0.035 0.000 1.092 418 L CA 0.913 55.765 54.840 0.021 0.000 0.759 418 L CB -0.524 41.553 42.059 0.031 0.000 0.903 418 L HN 0.282 nan 8.230 nan 0.000 0.435 419 A N 0.667 123.496 122.820 0.015 0.000 1.835 419 A HA -0.193 4.127 4.320 0.000 0.000 0.215 419 A C 2.148 179.754 177.584 0.036 0.000 1.199 419 A CA 1.525 53.579 52.037 0.029 0.000 0.615 419 A CB -0.670 18.326 19.000 -0.007 0.000 0.838 419 A HN 0.291 nan 8.150 nan 0.000 0.444 420 I N -1.023 119.560 120.570 0.021 0.000 2.091 420 I HA -0.303 3.867 4.170 0.000 0.000 0.239 420 I C 2.757 178.909 176.117 0.057 0.000 1.061 420 I CA 2.139 63.465 61.300 0.043 0.000 1.317 420 I CB -0.392 37.646 38.000 0.063 0.000 1.031 420 I HN 0.335 nan 8.210 nan 0.000 0.401 421 R N 1.297 121.832 120.500 0.058 0.000 2.096 421 R HA -0.102 4.238 4.340 0.000 0.000 0.235 421 R C 2.185 178.531 176.300 0.076 0.000 1.127 421 R CA 1.367 57.502 56.100 0.059 0.000 0.968 421 R CB -0.421 29.904 30.300 0.042 0.000 0.861 421 R HN 0.312 nan 8.270 nan 0.000 0.440 422 L N 0.293 121.560 121.223 0.074 0.000 2.275 422 L HA -0.155 4.185 4.340 0.000 0.000 0.215 422 L C 1.951 178.902 176.870 0.136 0.000 1.119 422 L CA 1.136 56.043 54.840 0.112 0.000 0.790 422 L CB -0.433 41.674 42.059 0.080 0.000 0.919 422 L HN 0.364 nan 8.230 nan 0.000 0.443 423 D N -0.127 120.330 120.400 0.094 0.000 2.097 423 D HA -0.174 4.466 4.640 0.000 0.000 0.197 423 D C 1.966 178.304 176.300 0.063 0.000 0.984 423 D CA 0.989 55.032 54.000 0.071 0.000 0.826 423 D CB 0.293 41.126 40.800 0.056 0.000 0.973 423 D HN 0.231 nan 8.370 nan 0.000 0.460 424 E N 0.217 120.464 120.200 0.077 0.000 2.058 424 E HA -0.216 4.134 4.350 0.000 0.000 0.194 424 E C 2.078 178.731 176.600 0.089 0.000 0.997 424 E CA 0.671 57.114 56.400 0.072 0.000 0.801 424 E CB -1.033 28.714 29.700 0.077 0.000 0.746 424 E HN 0.463 nan 8.360 nan 0.000 0.450 425 Y N 1.539 121.835 120.300 -0.006 0.000 2.298 425 Y HA -0.208 4.342 4.550 0.000 0.000 0.287 425 Y C 2.173 178.066 175.900 -0.011 0.000 1.164 425 Y CA 1.043 59.134 58.100 -0.015 0.000 1.229 425 Y CB -0.514 37.927 38.460 -0.033 0.000 0.977 425 Y HN 0.024 nan 8.280 nan 0.000 0.538 426 A N 0.689 123.430 122.820 -0.131 0.000 1.877 426 A HA -0.176 4.145 4.320 0.000 0.000 0.216 426 A C 2.254 179.739 177.584 -0.165 0.000 1.186 426 A CA 1.903 53.832 52.037 -0.181 0.000 0.620 426 A CB -0.431 18.540 19.000 -0.048 0.000 0.822 426 A HN 0.358 nan 8.150 nan 0.000 0.443 427 K N 0.301 120.648 120.400 -0.087 0.000 2.057 427 K HA -0.180 4.140 4.320 0.000 0.000 0.207 427 K C 1.936 178.487 176.600 -0.081 0.000 1.049 427 K CA 1.654 57.904 56.287 -0.061 0.000 0.931 427 K CB -0.774 31.712 32.500 -0.023 0.000 0.714 427 K HN 0.721 nan 8.250 nan 0.000 0.440 428 Q N 0.622 120.365 119.800 -0.095 0.000 2.181 428 Q HA -0.094 4.246 4.340 0.000 0.000 0.205 428 Q C 2.156 178.074 176.000 -0.136 0.000 0.980 428 Q CA 1.215 56.970 55.803 -0.080 0.000 0.862 428 Q CB -0.110 28.617 28.738 -0.018 0.000 0.905 428 Q HN 0.088 nan 8.270 nan 0.000 0.429 429 V N -0.639 119.123 119.914 -0.253 0.000 2.374 429 V HA 0.086 4.206 4.120 0.000 0.000 0.241 429 V C 1.135 177.148 176.094 -0.134 0.000 1.034 429 V CA 1.051 63.210 62.300 -0.236 0.000 1.037 429 V CB -0.795 30.800 31.823 -0.380 0.000 0.682 429 V HN 0.602 nan 8.190 nan 0.000 0.463 430 G N -0.743 107.983 108.800 -0.123 0.000 2.860 430 G HA2 0.342 4.302 3.960 0.000 0.000 0.553 430 G HA3 0.342 4.302 3.960 0.000 0.000 0.553 430 G C 0.454 175.321 174.900 -0.055 0.000 1.439 430 G CA -0.426 44.631 45.100 -0.072 0.000 0.879 430 G HN 1.806 nan 8.290 nan 0.000 0.545 431 G N -0.585 108.194 108.800 -0.035 0.000 2.642 431 G HA2 0.004 3.964 3.960 0.000 0.000 0.231 431 G HA3 0.004 3.964 3.960 0.000 0.000 0.231 431 G C 0.994 175.883 174.900 -0.019 0.000 1.338 431 G CA 0.801 45.886 45.100 -0.025 0.000 0.883 431 G HN 1.394 nan 8.290 nan 0.000 0.570 432 K N 0.319 120.711 120.400 -0.012 0.000 2.032 432 K HA -0.091 4.229 4.320 0.000 0.000 0.209 432 K C 2.449 179.047 176.600 -0.003 0.000 1.048 432 K CA 2.221 58.505 56.287 -0.005 0.000 0.927 432 K CB -0.507 31.992 32.500 -0.001 0.000 0.712 432 K HN 0.562 nan 8.250 nan 0.000 0.441 433 E N 0.901 121.095 120.200 -0.010 0.000 2.147 433 E HA -0.196 4.154 4.350 0.000 0.000 0.199 433 E C 1.877 178.474 176.600 -0.006 0.000 1.005 433 E CA 1.572 57.968 56.400 -0.005 0.000 0.810 433 E CB -0.419 29.267 29.700 -0.024 0.000 0.736 433 E HN 0.375 nan 8.360 nan 0.000 0.460 434 A N 0.173 122.975 122.820 -0.030 0.000 1.940 434 A HA -0.175 4.145 4.320 0.000 0.000 0.219 434 A C 1.971 179.561 177.584 0.011 0.000 1.176 434 A CA 1.183 53.198 52.037 -0.036 0.000 0.631 434 A CB -0.473 18.498 19.000 -0.049 0.000 0.814 434 A HN 0.173 nan 8.150 nan 0.000 0.446 435 L N -0.428 120.808 121.223 0.021 0.000 2.042 435 L HA -0.148 4.192 4.340 0.000 0.000 0.210 435 L C 2.977 179.899 176.870 0.085 0.000 1.076 435 L CA 1.954 56.818 54.840 0.041 0.000 0.749 435 L CB -1.201 40.873 42.059 0.025 0.000 0.893 435 L HN 0.404 nan 8.230 nan 0.000 0.432 436 A N -0.413 122.467 122.820 0.100 0.000 1.873 436 A HA -0.148 4.172 4.320 0.000 0.000 0.215 436 A C 2.293 180.086 177.584 0.347 0.000 1.186 436 A CA 1.628 53.790 52.037 0.208 0.000 0.616 436 A CB -0.726 18.361 19.000 0.145 0.000 0.823 436 A HN 0.372 nan 8.150 nan 0.000 0.442 437 I N -0.504 120.191 120.570 0.209 0.000 2.335 437 I HA -0.270 3.900 4.170 0.000 0.000 0.251 437 I C 2.427 178.648 176.117 0.174 0.000 1.129 437 I CA 1.644 63.039 61.300 0.159 0.000 1.402 437 I CB -0.483 37.529 38.000 0.020 0.000 1.069 437 I HN 0.435 nan 8.210 nan 0.000 0.424 438 E N 0.770 121.052 120.200 0.137 0.000 2.072 438 E HA -0.167 4.183 4.350 0.000 0.000 0.190 438 E C 1.874 178.563 176.600 0.147 0.000 0.982 438 E CA 0.977 57.446 56.400 0.115 0.000 0.803 438 E CB 0.009 29.753 29.700 0.073 0.000 0.755 438 E HN 0.407 nan 8.360 nan 0.000 0.453 439 N N 0.183 118.996 118.700 0.189 0.000 2.188 439 N HA -0.130 4.610 4.740 0.000 0.000 0.184 439 N C 1.384 177.020 175.510 0.210 0.000 1.018 439 N CA 0.704 53.868 53.050 0.189 0.000 0.858 439 N CB -0.254 38.363 38.487 0.216 0.000 0.989 439 N HN 0.114 nan 8.380 nan 0.000 0.426 440 F N 1.199 121.212 119.950 0.105 0.000 2.102 440 F HA -0.160 4.367 4.527 0.000 0.000 0.298 440 F C 2.134 177.895 175.800 -0.066 0.000 1.105 440 F CA 1.314 59.251 58.000 -0.105 0.000 1.239 440 F CB -0.107 38.756 39.000 -0.228 0.000 0.991 440 F HN 0.053 nan 8.300 nan 0.000 0.474 441 A N -0.439 122.581 122.820 0.333 0.000 1.933 441 A HA -0.261 4.059 4.320 0.000 0.000 0.218 441 A C 1.777 179.421 177.584 0.101 0.000 1.175 441 A CA 2.132 54.294 52.037 0.209 0.000 0.628 441 A CB -1.148 17.939 19.000 0.145 0.000 0.814 441 A HN 0.539 nan 8.150 nan 0.000 0.444 442 D N -0.593 119.854 120.400 0.079 0.000 2.117 442 D HA 0.021 4.661 4.640 0.000 0.000 0.198 442 D C 2.094 178.393 176.300 -0.002 0.000 0.982 442 D CA 1.397 55.418 54.000 0.035 0.000 0.828 442 D CB -0.179 40.645 40.800 0.040 0.000 0.967 442 D HN 0.338 nan 8.370 nan 0.000 0.464 443 A N 0.567 123.370 122.820 -0.028 0.000 1.903 443 A HA -0.189 4.131 4.320 0.000 0.000 0.219 443 A C 2.208 179.730 177.584 -0.103 0.000 1.191 443 A CA 1.403 53.383 52.037 -0.095 0.000 0.638 443 A CB -1.196 17.677 19.000 -0.211 0.000 0.823 443 A HN 0.412 nan 8.150 nan 0.000 0.451 444 L N -0.919 120.246 121.223 -0.095 0.000 2.661 444 L HA -0.172 4.168 4.340 0.000 0.000 0.236 444 L C 1.715 178.557 176.870 -0.048 0.000 1.176 444 L CA 1.090 55.891 54.840 -0.067 0.000 0.836 444 L CB -0.470 41.587 42.059 -0.004 0.000 0.960 444 L HN 0.409 nan 8.230 nan 0.000 0.455 445 K N -0.070 120.304 120.400 -0.043 0.000 2.404 445 K HA 0.053 4.373 4.320 0.000 0.000 0.194 445 K C 1.641 178.216 176.600 -0.040 0.000 1.023 445 K CA 0.215 56.479 56.287 -0.039 0.000 1.094 445 K CB 0.173 32.655 32.500 -0.029 0.000 0.841 445 K HN 0.259 nan 8.250 nan 0.000 0.523 446 I N 0.181 120.723 120.570 -0.046 0.000 2.614 446 I HA -0.214 3.956 4.170 0.000 0.000 0.258 446 I C 1.718 177.810 176.117 -0.041 0.000 1.189 446 I CA 1.039 62.313 61.300 -0.043 0.000 1.462 446 I CB -0.593 37.379 38.000 -0.047 0.000 1.092 446 I HN 0.003 nan 8.210 nan 0.000 0.442 447 I N 1.405 121.949 120.570 -0.043 0.000 2.133 447 I HA -0.095 4.075 4.170 0.000 0.000 0.238 447 I C 0.136 176.231 176.117 -0.037 0.000 1.074 447 I CA 1.609 62.886 61.300 -0.039 0.000 1.342 447 I CB -2.832 35.147 38.000 -0.036 0.000 1.053 447 I HN 0.197 nan 8.210 nan 0.000 0.404 448 P HA -0.119 nan 4.420 nan 0.000 0.217 448 P C 1.820 179.099 177.300 -0.034 0.000 1.150 448 P CA 1.354 64.432 63.100 -0.036 0.000 0.832 448 P CB -0.023 31.652 31.700 -0.042 0.000 0.787 449 K N -0.319 120.061 120.400 -0.034 0.000 1.977 449 K HA -0.153 4.167 4.320 0.000 0.000 0.218 449 K C 2.138 178.718 176.600 -0.033 0.000 1.051 449 K CA 2.614 58.882 56.287 -0.031 0.000 0.953 449 K CB -1.121 31.361 32.500 -0.030 0.000 0.727 449 K HN 0.215 nan 8.250 nan 0.000 0.445 450 T N -0.280 114.253 114.554 -0.035 0.000 3.007 450 T HA -0.047 4.303 4.350 0.000 0.000 0.270 450 T C 2.076 176.750 174.700 -0.042 0.000 1.107 450 T CA 0.621 62.699 62.100 -0.037 0.000 1.118 450 T CB -0.128 68.719 68.868 -0.036 0.000 0.889 450 T HN 0.133 nan 8.240 nan 0.000 0.506 451 L N 0.447 121.644 121.223 -0.044 0.000 2.027 451 L HA 0.100 4.440 4.340 0.000 0.000 0.206 451 L C 3.255 180.088 176.870 -0.062 0.000 1.074 451 L CA 1.337 56.145 54.840 -0.053 0.000 0.745 451 L CB -0.651 41.380 42.059 -0.047 0.000 0.898 451 L HN 0.422 nan 8.230 nan 0.000 0.433 452 A N -0.725 122.065 122.820 -0.050 0.000 1.930 452 A HA -0.232 4.088 4.320 0.000 0.000 0.217 452 A C 2.160 179.716 177.584 -0.048 0.000 1.175 452 A CA 1.576 53.584 52.037 -0.049 0.000 0.627 452 A CB -0.396 18.583 19.000 -0.035 0.000 0.815 452 A HN 0.455 nan 8.150 nan 0.000 0.443 453 E N 0.242 120.417 120.200 -0.043 0.000 2.017 453 E HA -0.205 4.145 4.350 0.000 0.000 0.193 453 E C 1.645 178.218 176.600 -0.045 0.000 0.997 453 E CA 1.299 57.676 56.400 -0.039 0.000 0.804 453 E CB -0.163 29.516 29.700 -0.034 0.000 0.757 453 E HN 0.568 nan 8.360 nan 0.000 0.448 454 N N 0.252 118.922 118.700 -0.051 0.000 2.272 454 N HA -0.174 4.566 4.740 0.000 0.000 0.185 454 N C 1.462 176.929 175.510 -0.071 0.000 1.014 454 N CA 1.134 54.150 53.050 -0.056 0.000 0.870 454 N CB -0.173 38.278 38.487 -0.060 0.000 0.975 454 N HN 0.208 nan 8.380 nan 0.000 0.433 455 A N 0.054 122.825 122.820 -0.082 0.000 2.119 455 A HA 0.312 4.632 4.320 0.000 0.000 0.216 455 A C 1.532 179.074 177.584 -0.070 0.000 1.152 455 A CA 1.083 53.060 52.037 -0.100 0.000 0.708 455 A CB -0.207 18.722 19.000 -0.118 0.000 0.805 455 A HN 0.327 nan 8.150 nan 0.000 0.460 456 G N -1.310 107.459 108.800 -0.053 0.000 2.140 456 G HA2 -0.164 3.796 3.960 0.000 0.000 0.211 456 G HA3 -0.164 3.796 3.960 0.000 0.000 0.211 456 G C -0.015 174.865 174.900 -0.032 0.000 1.013 456 G CA 0.210 45.287 45.100 -0.039 0.000 0.705 456 G HN 0.429 nan 8.290 nan 0.000 0.508 457 L N -0.317 120.886 121.223 -0.034 0.000 2.431 457 L HA 0.536 4.876 4.340 0.000 0.000 0.260 457 L C 0.736 177.593 176.870 -0.021 0.000 1.098 457 L CA -0.923 53.901 54.840 -0.027 0.000 0.800 457 L CB 0.550 42.592 42.059 -0.029 0.000 1.210 457 L HN 0.077 nan 8.230 nan 0.000 0.465 458 D N 0.328 120.719 120.400 -0.016 0.000 2.600 458 D HA 0.016 4.656 4.640 0.000 0.000 0.226 458 D C 1.047 177.338 176.300 -0.014 0.000 1.119 458 D CA 0.005 53.997 54.000 -0.013 0.000 1.051 458 D CB 0.211 41.005 40.800 -0.009 0.000 1.106 458 D HN 0.521 nan 8.370 nan 0.000 0.491 459 T N 1.060 115.604 114.554 -0.017 0.000 2.314 459 T HA -0.318 4.032 4.350 0.000 0.000 0.215 459 T C 2.029 176.721 174.700 -0.014 0.000 1.534 459 T CA 2.486 64.576 62.100 -0.018 0.000 1.080 459 T CB -0.662 68.194 68.868 -0.019 0.000 0.833 459 T HN 0.303 nan 8.240 nan 0.000 0.429 460 V N 1.292 121.199 119.914 -0.011 0.000 2.236 460 V HA -0.304 3.816 4.120 0.000 0.000 0.255 460 V C 2.464 178.554 176.094 -0.006 0.000 1.068 460 V CA 2.671 64.966 62.300 -0.008 0.000 1.044 460 V CB -0.711 31.108 31.823 -0.007 0.000 0.653 460 V HN 0.583 nan 8.190 nan 0.000 0.448 461 E N -0.887 119.310 120.200 -0.005 0.000 2.072 461 E HA -0.259 4.091 4.350 0.000 0.000 0.191 461 E C 2.153 178.752 176.600 -0.002 0.000 0.985 461 E CA 1.624 58.022 56.400 -0.003 0.000 0.801 461 E CB -0.130 29.569 29.700 -0.003 0.000 0.750 461 E HN 0.530 nan 8.360 nan 0.000 0.452 462 M N 0.362 119.959 119.600 -0.005 0.000 2.117 462 M HA -0.115 4.365 4.480 0.000 0.000 0.262 462 M C 1.948 178.245 176.300 -0.004 0.000 1.065 462 M CA 0.982 56.279 55.300 -0.004 0.000 1.114 462 M CB -0.096 32.498 32.600 -0.009 0.000 1.361 462 M HN 0.225 nan 8.290 nan 0.000 0.408 463 L N -0.524 120.695 121.223 -0.008 0.000 2.450 463 L HA -0.061 4.279 4.340 0.000 0.000 0.224 463 L C 1.677 178.545 176.870 -0.004 0.000 1.149 463 L CA 1.166 56.000 54.840 -0.010 0.000 0.816 463 L CB -0.354 41.697 42.059 -0.013 0.000 0.932 463 L HN 0.212 nan 8.230 nan 0.000 0.449 464 V N -1.442 118.473 119.914 0.001 0.000 2.685 464 V HA -0.097 4.024 4.120 0.000 0.000 0.244 464 V C 2.288 178.390 176.094 0.013 0.000 1.054 464 V CA 1.028 63.332 62.300 0.006 0.000 1.076 464 V CB -0.296 31.531 31.823 0.006 0.000 0.725 464 V HN 0.364 nan 8.190 nan 0.000 0.467 465 K N 0.262 120.669 120.400 0.012 0.000 2.097 465 K HA -0.098 4.222 4.320 0.000 0.000 0.205 465 K C 2.026 178.642 176.600 0.027 0.000 1.050 465 K CA 1.346 57.643 56.287 0.017 0.000 0.938 465 K CB -0.303 32.205 32.500 0.014 0.000 0.718 465 K HN 0.348 nan 8.250 nan 0.000 0.442 466 V N 1.873 121.801 119.914 0.023 0.000 2.323 466 V HA -0.193 3.927 4.120 0.000 0.000 0.244 466 V C 2.162 178.286 176.094 0.050 0.000 1.041 466 V CA 1.482 63.802 62.300 0.034 0.000 1.025 466 V CB -0.435 31.395 31.823 0.012 0.000 0.656 466 V HN 0.267 nan 8.190 nan 0.000 0.451 467 I N 0.540 121.126 120.570 0.026 0.000 2.756 467 I HA -0.189 3.981 4.170 0.000 0.000 0.262 467 I C 2.583 178.743 176.117 0.071 0.000 1.225 467 I CA 1.428 62.748 61.300 0.033 0.000 1.472 467 I CB -0.338 37.668 38.000 0.010 0.000 1.094 467 I HN 0.418 nan 8.210 nan 0.000 0.454 468 S N 1.012 116.746 115.700 0.057 0.000 2.311 468 S HA -0.153 4.317 4.470 0.000 0.000 0.209 468 S C 1.945 176.583 174.600 0.064 0.000 1.029 468 S CA 0.944 59.175 58.200 0.051 0.000 0.968 468 S CB -0.176 63.044 63.200 0.033 0.000 0.946 468 S HN 0.300 nan 8.310 nan 0.000 0.450 469 E N 0.536 120.771 120.200 0.059 0.000 2.136 469 E HA -0.295 4.055 4.350 0.000 0.000 0.208 469 E C 1.920 178.556 176.600 0.060 0.000 1.035 469 E CA 2.099 58.529 56.400 0.051 0.000 0.838 469 E CB -0.985 28.746 29.700 0.053 0.000 0.748 469 E HN 0.828 nan 8.360 nan 0.000 0.459 470 H N 0.895 119.970 119.070 0.008 0.000 2.352 470 H HA -0.050 4.506 4.556 0.000 0.000 0.299 470 H C 1.841 177.174 175.328 0.008 0.000 1.097 470 H CA 2.055 58.108 56.048 0.008 0.000 1.311 470 H CB 0.148 29.916 29.762 0.009 0.000 1.377 470 H HN 0.018 nan 8.280 nan 0.000 0.504 471 K N -0.401 120.069 120.400 0.118 0.000 2.362 471 K HA -0.057 4.263 4.320 0.000 0.000 0.200 471 K C 1.275 177.877 176.600 0.003 0.000 1.046 471 K CA 0.976 57.300 56.287 0.062 0.000 0.952 471 K CB 0.261 32.804 32.500 0.072 0.000 0.753 471 K HN 0.434 nan 8.250 nan 0.000 0.466 472 N N 0.431 119.126 118.700 -0.007 0.000 2.517 472 N HA 0.027 4.767 4.740 0.000 0.000 0.202 472 N C 1.602 177.087 175.510 -0.042 0.000 1.042 472 N CA 0.654 53.694 53.050 -0.017 0.000 0.952 472 N CB -0.136 38.350 38.487 -0.002 0.000 1.211 472 N HN 0.041 nan 8.380 nan 0.000 0.458 473 R N 0.785 121.256 120.500 -0.048 0.000 2.115 473 R HA 0.186 4.527 4.340 0.000 0.000 0.226 473 R C 0.900 177.133 176.300 -0.111 0.000 1.100 473 R CA 0.838 56.902 56.100 -0.060 0.000 0.980 473 R CB -0.071 30.207 30.300 -0.037 0.000 0.875 473 R HN 0.315 nan 8.270 nan 0.000 0.445 474 G N -0.216 108.456 108.800 -0.214 0.000 2.408 474 G HA2 -0.179 3.782 3.960 0.000 0.000 0.682 474 G HA3 -0.179 3.782 3.960 0.000 0.000 0.682 474 G C 0.062 174.642 174.900 -0.534 0.000 1.303 474 G CA -0.377 44.532 45.100 -0.317 0.000 0.966 474 G HN 0.106 nan 8.290 nan 0.000 0.560 475 L N 0.541 121.533 121.223 -0.385 0.000 2.230 475 L HA 0.013 4.353 4.340 0.000 0.000 0.217 475 L C 2.426 179.307 176.870 0.017 0.000 1.090 475 L CA 3.669 58.413 54.840 -0.161 0.000 0.771 475 L CB -0.361 41.685 42.059 -0.021 0.000 0.892 475 L HN 1.420 nan 8.230 nan 0.000 0.438 476 G N -0.636 108.145 108.800 -0.032 0.000 3.262 476 G HA2 0.176 4.136 3.960 0.000 0.000 0.228 476 G HA3 0.176 4.136 3.960 0.000 0.000 0.228 476 G C 0.482 175.421 174.900 0.064 0.000 1.197 476 G CA -0.340 44.779 45.100 0.030 0.000 0.819 476 G HN 0.221 nan 8.290 nan 0.000 0.531 477 I N 1.510 122.151 120.570 0.119 0.000 2.331 477 I HA 0.563 4.733 4.170 0.000 0.000 0.292 477 I C 0.721 176.967 176.117 0.216 0.000 0.998 477 I CA -0.390 61.008 61.300 0.163 0.000 1.267 477 I CB 0.689 38.776 38.000 0.144 0.000 1.386 477 I HN 0.065 nan 8.210 nan 0.000 0.476 478 G N 6.405 115.270 108.800 0.108 0.000 2.870 478 G HA2 0.690 4.651 3.960 0.000 0.000 0.299 478 G HA3 0.690 4.651 3.960 0.000 0.000 0.299 478 G C -1.025 173.900 174.900 0.042 0.000 1.324 478 G CA -0.663 44.474 45.100 0.063 0.000 0.808 478 G HN 0.366 nan 8.290 nan 0.000 0.535 479 I N 0.611 121.195 120.570 0.023 0.000 2.428 479 I HA 0.324 4.494 4.170 0.000 0.000 0.296 479 I C -0.975 175.156 176.117 0.024 0.000 0.985 479 I CA -0.474 60.834 61.300 0.015 0.000 1.260 479 I CB 1.893 39.889 38.000 -0.007 0.000 1.389 479 I HN 0.294 nan 8.210 nan 0.000 0.484 480 D N 5.214 125.633 120.400 0.032 0.000 2.462 480 D HA 0.160 4.801 4.640 0.000 0.000 0.249 480 D C 0.933 177.249 176.300 0.027 0.000 1.117 480 D CA -0.608 53.431 54.000 0.066 0.000 0.900 480 D CB 1.349 42.208 40.800 0.098 0.000 1.039 480 D HN 0.378 nan 8.370 nan 0.000 0.516 481 V N 1.485 121.356 119.914 -0.071 0.000 2.764 481 V HA -0.205 3.915 4.120 0.000 0.000 0.261 481 V C 1.511 177.455 176.094 -0.250 0.000 1.108 481 V CA 1.311 63.491 62.300 -0.200 0.000 1.129 481 V CB -1.205 30.417 31.823 -0.335 0.000 0.701 481 V HN 0.313 nan 8.190 nan 0.000 0.495 482 F N 0.294 120.242 119.950 -0.004 0.000 2.569 482 F HA 0.259 4.787 4.527 0.000 0.000 0.295 482 F C 2.367 178.165 175.800 -0.003 0.000 1.115 482 F CA 1.273 59.270 58.000 -0.005 0.000 1.450 482 F CB -0.117 38.880 39.000 -0.005 0.000 1.107 482 F HN 0.216 nan 8.300 nan 0.000 0.563 483 E N -0.473 119.820 120.200 0.155 0.000 2.364 483 E HA 0.187 4.537 4.350 0.000 0.000 0.196 483 E C 1.804 178.432 176.600 0.046 0.000 0.990 483 E CA 0.749 57.204 56.400 0.091 0.000 0.886 483 E CB 0.023 29.770 29.700 0.079 0.000 0.866 483 E HN 0.201 nan 8.360 nan 0.000 0.493 484 G N 1.193 110.006 108.800 0.023 0.000 2.153 484 G HA2 -0.348 3.612 3.960 0.000 0.000 0.252 484 G HA3 -0.348 3.612 3.960 0.000 0.000 0.252 484 G C 0.020 174.924 174.900 0.007 0.000 0.994 484 G CA 1.100 46.201 45.100 0.002 0.000 0.698 484 G HN 0.402 nan 8.290 nan 0.000 0.521 485 K N -1.948 118.461 120.400 0.016 0.000 2.548 485 K HA 0.714 5.034 4.320 0.000 0.000 0.282 485 K C -3.498 173.116 176.600 0.023 0.000 1.006 485 K CA -2.321 53.976 56.287 0.017 0.000 0.892 485 K CB 1.360 33.871 32.500 0.019 0.000 1.499 485 K HN -0.043 nan 8.250 nan 0.000 0.433 486 P HA 0.308 nan 4.420 nan 0.000 0.274 486 P C -1.305 176.016 177.300 0.035 0.000 1.231 486 P CA -0.288 62.831 63.100 0.032 0.000 0.790 486 P CB 1.187 32.907 31.700 0.035 0.000 0.951 487 A N 0.828 123.673 122.820 0.042 0.000 2.599 487 A HA 0.444 4.764 4.320 0.000 0.000 0.290 487 A C -1.437 176.171 177.584 0.041 0.000 1.101 487 A CA -0.470 51.590 52.037 0.038 0.000 0.674 487 A CB 0.940 19.964 19.000 0.041 0.000 1.277 487 A HN 0.455 nan 8.150 nan 0.000 0.419 488 D N 1.714 122.132 120.400 0.031 0.000 2.365 488 D HA 0.242 4.882 4.640 0.000 0.000 0.237 488 D C 0.949 177.267 176.300 0.030 0.000 1.190 488 D CA -0.422 53.594 54.000 0.027 0.000 0.867 488 D CB 0.627 41.435 40.800 0.012 0.000 1.050 488 D HN 0.359 nan 8.370 nan 0.000 0.491 489 M N 3.370 122.993 119.600 0.039 0.000 2.108 489 M HA -0.179 4.301 4.480 0.000 0.000 0.261 489 M C 1.688 178.004 176.300 0.027 0.000 1.066 489 M CA 0.871 56.195 55.300 0.039 0.000 1.107 489 M CB -0.650 31.978 32.600 0.046 0.000 1.356 489 M HN 0.426 nan 8.290 nan 0.000 0.406 490 L N 0.455 121.691 121.223 0.022 0.000 1.989 490 L HA -0.174 4.166 4.340 0.000 0.000 0.211 490 L C 2.263 179.139 176.870 0.009 0.000 1.071 490 L CA 1.780 56.628 54.840 0.013 0.000 0.749 490 L CB -1.692 40.372 42.059 0.008 0.000 0.890 490 L HN 0.393 nan 8.230 nan 0.000 0.431 491 E N -0.506 119.699 120.200 0.009 0.000 2.331 491 E HA -0.201 4.149 4.350 0.000 0.000 0.199 491 E C 1.547 178.150 176.600 0.006 0.000 1.008 491 E CA 0.639 57.042 56.400 0.006 0.000 0.843 491 E CB 0.058 29.762 29.700 0.006 0.000 0.761 491 E HN 0.365 nan 8.360 nan 0.000 0.507 492 K N -1.180 119.226 120.400 0.011 0.000 2.354 492 K HA 0.117 4.437 4.320 0.000 0.000 0.194 492 K C 1.276 177.879 176.600 0.004 0.000 1.038 492 K CA 0.732 57.024 56.287 0.009 0.000 1.052 492 K CB 1.396 33.908 32.500 0.020 0.000 0.861 492 K HN 0.232 nan 8.250 nan 0.000 0.535 493 G N 1.970 110.773 108.800 0.006 0.000 2.199 493 G HA2 -0.254 3.706 3.960 0.000 0.000 0.254 493 G HA3 -0.254 3.706 3.960 0.000 0.000 0.254 493 G C 0.269 175.175 174.900 0.010 0.000 0.982 493 G CA -0.000 45.102 45.100 0.003 0.000 0.632 493 G HN 0.283 nan 8.290 nan 0.000 0.529 494 I N 2.757 123.338 120.570 0.020 0.000 2.453 494 I HA 0.375 4.545 4.170 0.000 0.000 0.300 494 I C 1.024 177.159 176.117 0.030 0.000 1.159 494 I CA 0.106 61.425 61.300 0.032 0.000 1.379 494 I CB -0.393 37.638 38.000 0.052 0.000 1.460 494 I HN 0.350 nan 8.210 nan 0.000 0.601 495 I N 3.485 124.069 120.570 0.023 0.000 3.145 495 I HA 0.762 4.932 4.170 0.000 0.000 0.313 495 I C -0.760 175.368 176.117 0.018 0.000 1.122 495 I CA -0.837 60.475 61.300 0.020 0.000 0.987 495 I CB 2.380 40.388 38.000 0.013 0.000 1.236 495 I HN 0.431 nan 8.210 nan 0.000 0.453 496 E N 1.033 121.242 120.200 0.015 0.000 2.413 496 E HA 0.572 4.922 4.350 0.000 0.000 0.277 496 E C -3.126 173.479 176.600 0.008 0.000 0.958 496 E CA -2.161 54.246 56.400 0.012 0.000 0.779 496 E CB 1.948 31.656 29.700 0.014 0.000 1.278 496 E HN 0.242 nan 8.360 nan 0.000 0.456 497 P HA -0.084 nan 4.420 nan 0.000 0.269 497 P C 0.527 177.830 177.300 0.005 0.000 1.211 497 P CA -0.282 62.820 63.100 0.003 0.000 0.781 497 P CB 0.533 32.235 31.700 0.003 0.000 0.877 498 L N 2.671 123.896 121.223 0.003 0.000 2.418 498 L HA 0.014 4.354 4.340 0.000 0.000 0.218 498 L C 1.895 178.768 176.870 0.005 0.000 1.125 498 L CA 1.498 56.340 54.840 0.004 0.000 0.835 498 L CB -0.534 41.526 42.059 0.003 0.000 0.953 498 L HN 0.399 nan 8.230 nan 0.000 0.454 499 R N -0.719 119.784 120.500 0.005 0.000 2.075 499 R HA -0.075 4.265 4.340 0.000 0.000 0.226 499 R C 2.161 178.465 176.300 0.007 0.000 1.114 499 R CA 1.183 57.287 56.100 0.006 0.000 0.972 499 R CB 0.008 30.312 30.300 0.007 0.000 0.869 499 R HN 0.241 nan 8.270 nan 0.000 0.437 500 V N 2.042 121.960 119.914 0.006 0.000 2.250 500 V HA -0.324 3.796 4.120 0.000 0.000 0.250 500 V C 2.367 178.464 176.094 0.006 0.000 1.060 500 V CA 1.894 64.197 62.300 0.006 0.000 1.030 500 V CB -0.406 31.421 31.823 0.006 0.000 0.643 500 V HN 0.299 nan 8.190 nan 0.000 0.445 501 K N 0.052 120.456 120.400 0.007 0.000 2.057 501 K HA -0.110 4.210 4.320 0.000 0.000 0.206 501 K C 2.150 178.757 176.600 0.011 0.000 1.050 501 K CA 1.265 57.557 56.287 0.008 0.000 0.935 501 K CB -0.396 32.110 32.500 0.009 0.000 0.715 501 K HN 0.457 nan 8.250 nan 0.000 0.439 502 K N 0.696 121.101 120.400 0.010 0.000 2.103 502 K HA -0.201 4.119 4.320 0.000 0.000 0.207 502 K C 2.230 178.839 176.600 0.014 0.000 1.048 502 K CA 1.365 57.658 56.287 0.010 0.000 0.930 502 K CB -0.006 32.497 32.500 0.005 0.000 0.716 502 K HN -0.004 nan 8.250 nan 0.000 0.444 503 Q N 0.612 120.419 119.800 0.012 0.000 2.187 503 Q HA 0.014 4.354 4.340 0.000 0.000 0.199 503 Q C 1.748 177.755 176.000 0.012 0.000 0.957 503 Q CA 1.402 57.212 55.803 0.012 0.000 0.857 503 Q CB -0.089 28.655 28.738 0.010 0.000 0.929 503 Q HN 0.278 nan 8.270 nan 0.000 0.453 504 A N 0.687 123.512 122.820 0.009 0.000 1.858 504 A HA -0.157 4.163 4.320 0.000 0.000 0.216 504 A C 1.906 179.495 177.584 0.009 0.000 1.190 504 A CA 1.599 53.638 52.037 0.003 0.000 0.617 504 A CB -0.739 18.260 19.000 -0.002 0.000 0.827 504 A HN 0.438 nan 8.150 nan 0.000 0.443 505 I N -0.147 120.439 120.570 0.026 0.000 2.226 505 I HA -0.230 3.941 4.170 0.000 0.000 0.245 505 I C 2.293 178.450 176.117 0.066 0.000 1.100 505 I CA 1.711 63.048 61.300 0.062 0.000 1.374 505 I CB -1.345 36.711 38.000 0.094 0.000 1.057 505 I HN 0.365 nan 8.210 nan 0.000 0.413 506 K N 0.757 121.184 120.400 0.045 0.000 1.991 506 K HA -0.157 4.163 4.320 0.000 0.000 0.212 506 K C 2.376 178.999 176.600 0.038 0.000 1.049 506 K CA 2.081 58.393 56.287 0.042 0.000 0.932 506 K CB -0.176 32.340 32.500 0.027 0.000 0.717 506 K HN 0.163 nan 8.250 nan 0.000 0.441 507 S N 0.688 116.402 115.700 0.024 0.000 2.354 507 S HA -0.226 4.244 4.470 0.000 0.000 0.219 507 S C 2.130 176.738 174.600 0.013 0.000 1.035 507 S CA 1.411 59.621 58.200 0.017 0.000 1.037 507 S CB -0.536 62.669 63.200 0.008 0.000 0.956 507 S HN 0.483 nan 8.310 nan 0.000 0.428 508 A N 2.019 124.836 122.820 -0.004 0.000 1.869 508 A HA -0.212 4.108 4.320 0.000 0.000 0.218 508 A C 2.440 180.011 177.584 -0.022 0.000 1.203 508 A CA 2.795 54.813 52.037 -0.033 0.000 0.638 508 A CB -1.409 17.543 19.000 -0.079 0.000 0.831 508 A HN 0.678 nan 8.150 nan 0.000 0.450 509 S N -0.255 115.450 115.700 0.008 0.000 2.382 509 S HA -0.207 4.263 4.470 0.000 0.000 0.228 509 S C 1.708 176.373 174.600 0.109 0.000 1.027 509 S CA 1.485 59.732 58.200 0.079 0.000 0.991 509 S CB -0.566 62.767 63.200 0.221 0.000 0.823 509 S HN 0.659 nan 8.310 nan 0.000 0.469 510 E N 1.857 122.105 120.200 0.079 0.000 2.047 510 E HA -0.043 4.307 4.350 0.000 0.000 0.191 510 E C 2.567 179.206 176.600 0.066 0.000 0.987 510 E CA 1.028 57.472 56.400 0.073 0.000 0.799 510 E CB -0.503 29.228 29.700 0.051 0.000 0.752 510 E HN 0.680 nan 8.360 nan 0.000 0.449 511 A N 2.066 124.914 122.820 0.047 0.000 1.851 511 A HA -0.190 4.130 4.320 0.000 0.000 0.216 511 A C 2.512 180.128 177.584 0.054 0.000 1.195 511 A CA 2.222 54.282 52.037 0.039 0.000 0.622 511 A CB -0.945 18.068 19.000 0.021 0.000 0.831 511 A HN 0.294 nan 8.150 nan 0.000 0.444 512 A N -0.058 122.801 122.820 0.065 0.000 1.903 512 A HA -0.207 4.113 4.320 0.000 0.000 0.219 512 A C 2.135 179.801 177.584 0.138 0.000 1.191 512 A CA 1.910 54.011 52.037 0.105 0.000 0.638 512 A CB -0.789 18.294 19.000 0.137 0.000 0.823 512 A HN 0.558 nan 8.150 nan 0.000 0.451 513 I N -1.127 119.541 120.570 0.163 0.000 2.394 513 I HA -0.248 3.923 4.170 0.000 0.000 0.251 513 I C 2.698 178.867 176.117 0.086 0.000 1.136 513 I CA 1.550 62.938 61.300 0.146 0.000 1.425 513 I CB -0.366 37.732 38.000 0.163 0.000 1.079 513 I HN 0.498 nan 8.210 nan 0.000 0.425 514 M N 1.161 120.803 119.600 0.071 0.000 2.086 514 M HA -0.218 4.262 4.480 0.000 0.000 0.261 514 M C 2.386 178.710 176.300 0.040 0.000 1.067 514 M CA 2.071 57.400 55.300 0.049 0.000 1.116 514 M CB -0.032 32.592 32.600 0.040 0.000 1.348 514 M HN 0.108 nan 8.290 nan 0.000 0.407 515 I N 0.521 121.116 120.570 0.041 0.000 2.142 515 I HA -0.339 3.831 4.170 0.000 0.000 0.240 515 I C 2.213 178.346 176.117 0.026 0.000 1.078 515 I CA 1.318 62.637 61.300 0.031 0.000 1.343 515 I CB -0.635 37.385 38.000 0.032 0.000 1.046 515 I HN 0.362 nan 8.210 nan 0.000 0.405 516 L N 0.348 121.589 121.223 0.029 0.000 2.349 516 L HA -0.181 4.160 4.340 0.000 0.000 0.220 516 L C 2.520 179.400 176.870 0.016 0.000 1.130 516 L CA 1.079 55.925 54.840 0.010 0.000 0.791 516 L CB -0.526 41.530 42.059 -0.005 0.000 0.918 516 L HN 0.246 nan 8.230 nan 0.000 0.444 517 R N -0.348 120.169 120.500 0.030 0.000 2.223 517 R HA 0.179 4.519 4.340 0.000 0.000 0.198 517 R C 0.563 176.880 176.300 0.028 0.000 0.984 517 R CA 0.146 56.266 56.100 0.033 0.000 1.018 517 R CB 0.220 30.543 30.300 0.039 0.000 0.945 517 R HN 0.263 nan 8.270 nan 0.000 0.479 518 I N 3.190 123.775 120.570 0.024 0.000 2.363 518 I HA -0.043 4.127 4.170 0.000 0.000 0.292 518 I C 0.706 176.836 176.117 0.021 0.000 1.075 518 I CA 0.065 61.379 61.300 0.023 0.000 1.333 518 I CB 0.782 38.794 38.000 0.021 0.000 1.415 518 I HN 0.095 nan 8.210 nan 0.000 0.502 519 D N 4.421 124.835 120.400 0.023 0.000 2.440 519 D HA 0.088 4.728 4.640 0.000 0.000 0.216 519 D C -0.271 176.051 176.300 0.036 0.000 1.150 519 D CA 0.006 54.019 54.000 0.022 0.000 0.832 519 D CB 0.453 41.261 40.800 0.013 0.000 0.992 519 D HN 0.389 nan 8.370 nan 0.000 0.502 520 D N -0.082 120.345 120.400 0.045 0.000 2.804 520 D HA 0.224 4.864 4.640 0.000 0.000 0.209 520 D C -1.632 174.710 176.300 0.069 0.000 1.314 520 D CA -0.459 53.578 54.000 0.061 0.000 0.894 520 D CB 2.053 42.878 40.800 0.042 0.000 1.615 520 D HN -0.186 nan 8.370 nan 0.000 0.571 521 V N 4.736 124.720 119.914 0.115 0.000 2.487 521 V HA 0.562 4.682 4.120 0.000 0.000 0.298 521 V C 0.176 176.350 176.094 0.134 0.000 1.028 521 V CA -0.603 61.763 62.300 0.111 0.000 0.860 521 V CB 1.698 33.590 31.823 0.116 0.000 0.991 521 V HN 0.515 nan 8.190 nan 0.000 0.427 522 I N 4.543 125.156 120.570 0.073 0.000 2.537 522 I HA 0.669 4.839 4.170 0.000 0.000 0.276 522 I C 0.212 176.352 176.117 0.039 0.000 1.063 522 I CA -0.286 61.045 61.300 0.053 0.000 1.144 522 I CB 1.400 39.416 38.000 0.027 0.000 1.252 522 I HN 0.682 nan 8.210 nan 0.000 0.480 523 A N 3.667 126.520 122.820 0.054 0.000 2.340 523 A HA 0.833 5.153 4.320 0.000 0.000 0.331 523 A C 0.734 178.335 177.584 0.029 0.000 1.140 523 A CA -0.344 51.713 52.037 0.033 0.000 0.801 523 A CB 1.589 20.608 19.000 0.031 0.000 1.234 523 A HN 0.756 nan 8.150 nan 0.000 0.469 524 A N 0.998 123.827 122.820 0.016 0.000 2.218 524 A HA 0.422 4.742 4.320 0.000 0.000 0.209 524 A C 0.624 178.218 177.584 0.017 0.000 1.168 524 A CA 0.839 52.883 52.037 0.012 0.000 0.804 524 A CB -0.119 18.884 19.000 0.006 0.000 0.834 524 A HN 0.701 nan 8.150 nan 0.000 0.482 525 K N -2.559 117.855 120.400 0.023 0.000 2.639 525 K HA 0.607 4.927 4.320 0.000 0.000 0.279 525 K C -1.140 175.480 176.600 0.033 0.000 0.976 525 K CA 0.058 56.362 56.287 0.029 0.000 0.861 525 K CB 1.902 34.413 32.500 0.018 0.000 1.436 525 K HN 0.565 nan 8.250 nan 0.000 0.400 526 A N 0.000 122.850 122.820 0.049 0.000 2.254 526 A HA 0.000 4.320 4.320 0.000 0.000 0.244 526 A CA 0.000 52.072 52.037 0.058 0.000 0.836 526 A CB 0.000 19.031 19.000 0.052 0.000 0.831 526 A HN 0.000 nan 8.150 nan 0.000 0.486