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 3bxz_1_B DATA FIRST_RESID 11 DATA SEQUENCE GSRNDRTLRR MRKVVNIINA MEPEMEKLSD EELKGKTAEF RARLEKGEVL DATA SEQUENCE ENLIPEAFAV VREASKRVFG MRHFDVQLLG GMVLNERCIA EMRTGEGKTL DATA SEQUENCE TATLPAYLNA LTGKGVHVVT VNDYLAQRDA ENNRPLFEFL GLTVGINLPG DATA SEQUENCE MPAPAKREAY AADITYGTNN EYGFDYLRDN MAFSPEERVQ RKLHYALVDE DATA SEQUENCE VDSILIDEAR TPLIIXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XLASITFQNY FRLYEKLAGM TGTADTEAFE FSSIYKLDTV DATA SEQUENCE VVPTNRPMIR KDLPDLVYMT EAEKIQAIIE DIKERTAKGQ PVLVGTISIE DATA SEQUENCE KSELVSNELT KAGIKHNVLN AKFHANEAAI VAQAGYPAAV TIATNMAGRG DATA SEQUENCE TDIVLGGSWQ AEVAALENPT AEQIEKIKAD WQVRHDAVLE AGGLHIIGTE DATA SEQUENCE RHESRRIDNQ LRGRSGRQGD AGSSRFYLSM EDALMR 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 11 G C 0.000 174.910 174.900 0.016 0.000 0.946 11 G CA 0.000 45.110 45.100 0.017 0.000 0.502 12 S N -0.111 115.598 115.700 0.015 0.000 2.481 12 S HA -0.009 4.461 4.470 -0.001 0.000 0.231 12 S C 2.228 176.838 174.600 0.016 0.000 0.996 12 S CA 1.617 59.825 58.200 0.013 0.000 0.942 12 S CB -0.319 62.887 63.200 0.011 0.000 0.768 12 S HN 0.388 nan 8.310 nan 0.000 0.520 13 R N 2.113 122.624 120.500 0.019 0.000 2.062 13 R HA 0.033 4.372 4.340 -0.001 0.000 0.229 13 R C 2.112 178.426 176.300 0.023 0.000 1.128 13 R CA 1.215 57.328 56.100 0.022 0.000 0.960 13 R CB -1.259 29.058 30.300 0.028 0.000 0.855 13 R HN 0.491 nan 8.270 nan 0.000 0.432 14 N N 1.109 119.824 118.700 0.026 0.000 2.223 14 N HA -0.165 4.574 4.740 -0.001 0.000 0.185 14 N C 0.976 176.499 175.510 0.021 0.000 1.016 14 N CA 1.315 54.381 53.050 0.026 0.000 0.863 14 N CB -0.093 38.412 38.487 0.029 0.000 0.983 14 N HN 0.242 nan 8.380 nan 0.000 0.429 15 D N 0.941 121.352 120.400 0.018 0.000 2.077 15 D HA -0.163 4.476 4.640 -0.001 0.000 0.196 15 D C 2.109 178.417 176.300 0.013 0.000 0.986 15 D CA 1.009 55.018 54.000 0.015 0.000 0.829 15 D CB -0.182 40.626 40.800 0.013 0.000 0.983 15 D HN 0.552 nan 8.370 nan 0.000 0.453 16 R N 0.586 121.094 120.500 0.013 0.000 2.127 16 R HA -0.094 4.245 4.340 -0.001 0.000 0.238 16 R C 1.891 178.197 176.300 0.010 0.000 1.134 16 R CA 1.635 57.742 56.100 0.010 0.000 0.975 16 R CB -0.965 29.342 30.300 0.011 0.000 0.865 16 R HN 0.012 nan 8.270 nan 0.000 0.447 17 T N 1.212 115.774 114.554 0.013 0.000 2.904 17 T HA -0.015 4.334 4.350 -0.001 0.000 0.267 17 T C 1.649 176.355 174.700 0.011 0.000 1.059 17 T CA 0.830 62.938 62.100 0.012 0.000 1.137 17 T CB -0.074 68.804 68.868 0.017 0.000 0.879 17 T HN 0.073 nan 8.240 nan 0.000 0.467 18 L N 1.205 122.436 121.223 0.015 0.000 2.095 18 L HA 0.219 4.558 4.340 -0.001 0.000 0.204 18 L C 2.475 179.352 176.870 0.012 0.000 1.080 18 L CA 1.482 56.331 54.840 0.016 0.000 0.759 18 L CB -0.516 41.555 42.059 0.019 0.000 0.914 18 L HN -0.024 nan 8.230 nan 0.000 0.439 19 R N -0.035 120.471 120.500 0.010 0.000 2.083 19 R HA -0.180 4.159 4.340 -0.001 0.000 0.237 19 R C 2.440 178.742 176.300 0.003 0.000 1.137 19 R CA 1.820 57.925 56.100 0.008 0.000 0.951 19 R CB -0.599 29.706 30.300 0.007 0.000 0.851 19 R HN 0.308 nan 8.270 nan 0.000 0.434 20 R N 0.285 120.786 120.500 0.002 0.000 2.143 20 R HA -0.231 4.108 4.340 -0.001 0.000 0.239 20 R C 2.129 178.423 176.300 -0.011 0.000 1.126 20 R CA 2.908 59.006 56.100 -0.004 0.000 0.927 20 R CB -0.404 29.894 30.300 -0.003 0.000 0.860 20 R HN 0.520 nan 8.270 nan 0.000 0.433 21 M N -1.323 118.269 119.600 -0.012 0.000 2.506 21 M HA 0.108 4.587 4.480 -0.001 0.000 0.260 21 M C 2.015 178.306 176.300 -0.015 0.000 1.104 21 M CA 1.061 56.346 55.300 -0.024 0.000 1.112 21 M CB -0.123 32.460 32.600 -0.028 0.000 1.401 21 M HN -0.041 nan 8.290 nan 0.000 0.473 22 R N 1.743 122.243 120.500 -0.001 0.000 2.139 22 R HA -0.088 4.251 4.340 -0.001 0.000 0.243 22 R C 1.864 178.167 176.300 0.004 0.000 1.145 22 R CA 1.808 57.913 56.100 0.008 0.000 0.976 22 R CB -0.142 30.166 30.300 0.012 0.000 0.866 22 R HN 0.446 nan 8.270 nan 0.000 0.449 23 K N -0.707 119.691 120.400 -0.004 0.000 2.062 23 K HA -0.048 4.271 4.320 -0.001 0.000 0.205 23 K C 1.858 178.450 176.600 -0.013 0.000 1.051 23 K CA 1.486 57.770 56.287 -0.005 0.000 0.941 23 K CB 0.025 32.521 32.500 -0.007 0.000 0.719 23 K HN 0.036 nan 8.250 nan 0.000 0.440 24 V N 1.425 121.322 119.914 -0.029 0.000 2.568 24 V HA -0.200 3.920 4.120 -0.001 0.000 0.253 24 V C 2.230 178.297 176.094 -0.044 0.000 1.072 24 V CA 1.320 63.590 62.300 -0.051 0.000 1.084 24 V CB -0.566 31.203 31.823 -0.090 0.000 0.676 24 V HN 0.068 nan 8.190 nan 0.000 0.469 25 V N 0.477 120.380 119.914 -0.019 0.000 2.379 25 V HA -0.192 3.927 4.120 -0.001 0.000 0.245 25 V C 2.353 178.459 176.094 0.020 0.000 1.044 25 V CA 1.912 64.218 62.300 0.011 0.000 1.036 25 V CB -0.806 31.036 31.823 0.033 0.000 0.664 25 V HN 0.568 nan 8.190 nan 0.000 0.453 26 N N 0.422 119.130 118.700 0.014 0.000 2.104 26 N HA -0.133 4.606 4.740 -0.001 0.000 0.190 26 N C 1.847 177.365 175.510 0.014 0.000 1.024 26 N CA 1.734 54.795 53.050 0.017 0.000 0.853 26 N CB -0.265 38.230 38.487 0.012 0.000 1.008 26 N HN 0.438 nan 8.380 nan 0.000 0.424 27 I N 1.414 121.987 120.570 0.005 0.000 2.163 27 I HA -0.254 3.915 4.170 -0.001 0.000 0.243 27 I C 2.104 178.229 176.117 0.013 0.000 1.085 27 I CA 1.037 62.340 61.300 0.004 0.000 1.347 27 I CB -0.320 37.676 38.000 -0.008 0.000 1.044 27 I HN 0.037 nan 8.210 nan 0.000 0.408 28 I N 0.828 121.405 120.570 0.013 0.000 2.264 28 I HA -0.314 3.856 4.170 -0.001 0.000 0.248 28 I C 2.107 178.245 176.117 0.036 0.000 1.111 28 I CA 1.313 62.632 61.300 0.031 0.000 1.382 28 I CB -0.611 37.418 38.000 0.048 0.000 1.060 28 I HN 0.337 nan 8.210 nan 0.000 0.418 29 N N 0.967 119.688 118.700 0.035 0.000 2.331 29 N HA -0.053 4.687 4.740 -0.001 0.000 0.180 29 N C 1.882 177.408 175.510 0.027 0.000 1.019 29 N CA 1.319 54.390 53.050 0.035 0.000 0.881 29 N CB -0.029 38.481 38.487 0.039 0.000 0.972 29 N HN 0.364 nan 8.380 nan 0.000 0.435 30 A N 0.902 123.736 122.820 0.024 0.000 1.968 30 A HA 0.037 4.356 4.320 -0.001 0.000 0.217 30 A C 2.017 179.614 177.584 0.021 0.000 1.169 30 A CA 0.698 52.747 52.037 0.020 0.000 0.638 30 A CB -0.225 18.785 19.000 0.017 0.000 0.812 30 A HN 0.179 nan 8.150 nan 0.000 0.446 31 M N -0.791 118.824 119.600 0.025 0.000 2.618 31 M HA 0.043 4.523 4.480 -0.001 0.000 0.240 31 M C 1.654 177.968 176.300 0.024 0.000 1.123 31 M CA 0.589 55.906 55.300 0.028 0.000 1.060 31 M CB -0.111 32.513 32.600 0.040 0.000 1.535 31 M HN 0.578 nan 8.290 nan 0.000 0.507 32 E N 1.919 122.131 120.200 0.020 0.000 2.072 32 E HA -0.126 4.223 4.350 -0.001 0.000 0.191 32 E C -0.742 175.864 176.600 0.010 0.000 0.985 32 E CA 1.030 57.438 56.400 0.013 0.000 0.801 32 E CB -0.435 29.273 29.700 0.014 0.000 0.750 32 E HN 0.273 nan 8.360 nan 0.000 0.452 33 P HA -0.149 nan 4.420 nan 0.000 0.220 33 P C 0.473 177.778 177.300 0.009 0.000 1.148 33 P CA 1.269 64.375 63.100 0.010 0.000 0.803 33 P CB 0.049 31.756 31.700 0.011 0.000 0.782 34 E N 0.121 120.328 120.200 0.012 0.000 2.005 34 E HA -0.057 4.293 4.350 -0.001 0.000 0.191 34 E C 2.268 178.875 176.600 0.011 0.000 0.987 34 E CA 0.868 57.275 56.400 0.012 0.000 0.814 34 E CB -0.659 29.050 29.700 0.016 0.000 0.772 34 E HN -0.001 nan 8.360 nan 0.000 0.453 35 M N 1.053 120.662 119.600 0.014 0.000 2.255 35 M HA -0.211 4.269 4.480 -0.001 0.000 0.259 35 M C 1.873 178.176 176.300 0.006 0.000 1.071 35 M CA 1.446 56.754 55.300 0.014 0.000 1.074 35 M CB -0.919 31.690 32.600 0.015 0.000 1.384 35 M HN 0.187 nan 8.290 nan 0.000 0.415 36 E N -0.227 119.974 120.200 0.001 0.000 2.333 36 E HA -0.165 4.184 4.350 -0.001 0.000 0.198 36 E C 1.879 178.480 176.600 0.001 0.000 1.007 36 E CA 0.696 57.094 56.400 -0.003 0.000 0.845 36 E CB 0.223 29.922 29.700 -0.002 0.000 0.766 36 E HN 0.342 nan 8.360 nan 0.000 0.507 37 K N -0.116 120.287 120.400 0.005 0.000 2.202 37 K HA 0.048 4.367 4.320 -0.001 0.000 0.201 37 K C 0.398 177.004 176.600 0.009 0.000 1.051 37 K CA 0.061 56.351 56.287 0.006 0.000 0.977 37 K CB -0.195 32.308 32.500 0.005 0.000 0.792 37 K HN 0.022 nan 8.250 nan 0.000 0.469 38 L N 3.007 124.236 121.223 0.011 0.000 2.640 38 L HA -0.096 4.243 4.340 -0.001 0.000 0.280 38 L C 1.076 177.961 176.870 0.024 0.000 1.229 38 L CA 0.464 55.312 54.840 0.013 0.000 0.919 38 L CB -0.556 41.513 42.059 0.015 0.000 1.168 38 L HN 0.159 nan 8.230 nan 0.000 0.496 39 S N 1.341 117.053 115.700 0.020 0.000 2.587 39 S HA 0.051 4.520 4.470 -0.001 0.000 0.260 39 S C 0.906 175.538 174.600 0.053 0.000 1.353 39 S CA -0.340 57.876 58.200 0.028 0.000 0.995 39 S CB 0.555 63.763 63.200 0.013 0.000 0.912 39 S HN 0.652 nan 8.310 nan 0.000 0.568 40 D N 1.053 121.497 120.400 0.073 0.000 2.106 40 D HA -0.091 4.548 4.640 -0.001 0.000 0.191 40 D C 1.929 178.240 176.300 0.017 0.000 0.997 40 D CA 1.964 56.043 54.000 0.132 0.000 0.834 40 D CB -0.344 40.532 40.800 0.126 0.000 0.956 40 D HN 0.745 nan 8.370 nan 0.000 0.448 41 E N 0.547 120.731 120.200 -0.027 0.000 2.085 41 E HA -0.148 4.202 4.350 -0.001 0.000 0.194 41 E C 2.007 178.576 176.600 -0.052 0.000 0.994 41 E CA 0.920 57.280 56.400 -0.068 0.000 0.801 41 E CB -0.181 29.490 29.700 -0.048 0.000 0.743 41 E HN 0.459 nan 8.360 nan 0.000 0.453 42 E N -0.153 120.034 120.200 -0.020 0.000 2.150 42 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 42 E C 1.921 178.517 176.600 -0.008 0.000 0.985 42 E CA 0.498 56.887 56.400 -0.019 0.000 0.814 42 E CB -0.054 29.640 29.700 -0.010 0.000 0.752 42 E HN 0.119 nan 8.360 nan 0.000 0.466 43 L N 1.709 122.953 121.223 0.034 0.000 2.007 43 L HA -0.145 4.194 4.340 -0.001 0.000 0.205 43 L C 1.903 178.822 176.870 0.083 0.000 1.073 43 L CA 1.855 56.753 54.840 0.096 0.000 0.744 43 L CB -0.237 41.952 42.059 0.218 0.000 0.898 43 L HN -0.153 nan 8.230 nan 0.000 0.435 44 K N -0.353 120.029 120.400 -0.029 0.000 2.034 44 K HA -0.161 4.158 4.320 -0.001 0.000 0.214 44 K C 1.789 178.359 176.600 -0.049 0.000 1.051 44 K CA 1.513 57.697 56.287 -0.172 0.000 0.931 44 K CB -1.026 31.205 32.500 -0.449 0.000 0.715 44 K HN 0.541 nan 8.250 nan 0.000 0.446 45 G N 1.094 109.857 108.800 -0.061 0.000 2.807 45 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.207 45 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.207 45 G C 1.271 176.139 174.900 -0.054 0.000 1.151 45 G CA 0.287 45.359 45.100 -0.047 0.000 0.800 45 G HN 0.115 nan 8.290 nan 0.000 0.523 46 K N 0.272 120.650 120.400 -0.037 0.000 2.288 46 K HA 0.012 4.331 4.320 -0.001 0.000 0.201 46 K C 2.481 178.988 176.600 -0.156 0.000 1.048 46 K CA 1.161 57.354 56.287 -0.157 0.000 0.956 46 K CB -0.211 32.255 32.500 -0.057 0.000 0.746 46 K HN 0.219 nan 8.250 nan 0.000 0.461 47 T N -0.116 114.523 114.554 0.141 0.000 2.770 47 T HA -0.042 4.307 4.350 -0.001 0.000 0.263 47 T C 1.817 176.600 174.700 0.137 0.000 1.039 47 T CA 1.112 63.394 62.100 0.303 0.000 1.142 47 T CB -0.410 68.621 68.868 0.271 0.000 0.868 47 T HN 0.286 nan 8.240 nan 0.000 0.435 48 A N 1.861 124.705 122.820 0.041 0.000 1.884 48 A HA -0.261 4.058 4.320 -0.001 0.000 0.219 48 A C 2.235 179.815 177.584 -0.006 0.000 1.197 48 A CA 2.297 54.341 52.037 0.011 0.000 0.637 48 A CB -0.884 18.106 19.000 -0.016 0.000 0.827 48 A HN 0.658 nan 8.150 nan 0.000 0.450 49 E N -0.972 119.178 120.200 -0.083 0.000 2.049 49 E HA -0.230 4.119 4.350 -0.001 0.000 0.198 49 E C 1.836 178.409 176.600 -0.046 0.000 1.007 49 E CA 1.597 57.920 56.400 -0.128 0.000 0.809 49 E CB -0.353 29.181 29.700 -0.277 0.000 0.749 49 E HN 0.691 nan 8.360 nan 0.000 0.450 50 F N 0.495 120.472 119.950 0.044 0.000 2.126 50 F HA -0.154 4.372 4.527 -0.002 0.000 0.299 50 F C 2.825 178.630 175.800 0.009 0.000 1.096 50 F CA 1.062 59.086 58.000 0.040 0.000 1.255 50 F CB -0.081 38.961 39.000 0.070 0.000 0.997 50 F HN -0.032 nan 8.300 nan 0.000 0.479 51 R N 0.186 120.799 120.500 0.188 0.000 2.066 51 R HA -0.127 4.212 4.340 -0.001 0.000 0.232 51 R C 2.490 178.826 176.300 0.060 0.000 1.131 51 R CA 1.138 57.291 56.100 0.087 0.000 0.955 51 R CB -0.754 29.576 30.300 0.050 0.000 0.851 51 R HN 0.269 nan 8.270 nan 0.000 0.432 52 A N 1.509 124.357 122.820 0.048 0.000 1.865 52 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 52 A C 2.122 179.729 177.584 0.039 0.000 1.191 52 A CA 1.411 53.465 52.037 0.028 0.000 0.623 52 A CB -0.504 18.503 19.000 0.011 0.000 0.826 52 A HN 0.235 nan 8.150 nan 0.000 0.444 53 R N -0.649 119.887 120.500 0.060 0.000 2.112 53 R HA -0.181 4.158 4.340 -0.001 0.000 0.242 53 R C 2.127 178.465 176.300 0.064 0.000 1.137 53 R CA 1.847 57.989 56.100 0.071 0.000 0.944 53 R CB -0.715 29.658 30.300 0.123 0.000 0.857 53 R HN 0.527 nan 8.270 nan 0.000 0.435 54 L N 0.278 121.545 121.223 0.074 0.000 2.093 54 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 54 L C 2.522 179.407 176.870 0.025 0.000 1.085 54 L CA 1.200 56.067 54.840 0.045 0.000 0.755 54 L CB -0.368 41.713 42.059 0.037 0.000 0.904 54 L HN 0.281 nan 8.230 nan 0.000 0.435 55 E N 0.484 120.699 120.200 0.024 0.000 2.160 55 E HA -0.226 4.123 4.350 -0.001 0.000 0.195 55 E C 1.653 178.259 176.600 0.010 0.000 0.991 55 E CA 0.995 57.402 56.400 0.011 0.000 0.810 55 E CB 0.179 29.885 29.700 0.010 0.000 0.742 55 E HN 0.393 nan 8.360 nan 0.000 0.466 56 K N -0.857 119.552 120.400 0.016 0.000 2.525 56 K HA 0.040 4.359 4.320 -0.001 0.000 0.192 56 K C 0.770 177.378 176.600 0.012 0.000 1.029 56 K CA 0.465 56.759 56.287 0.013 0.000 1.029 56 K CB 0.435 32.945 32.500 0.016 0.000 0.814 56 K HN 0.250 nan 8.250 nan 0.000 0.503 57 G N 2.461 111.268 108.800 0.012 0.000 2.149 57 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.235 57 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.235 57 G C -0.260 174.648 174.900 0.013 0.000 1.018 57 G CA 0.041 45.147 45.100 0.009 0.000 0.728 57 G HN 0.466 nan 8.290 nan 0.000 0.508 58 E N -0.180 120.032 120.200 0.021 0.000 2.373 58 E HA 0.454 4.803 4.350 -0.001 0.000 0.263 58 E C 0.930 177.541 176.600 0.018 0.000 1.073 58 E CA -0.634 55.780 56.400 0.024 0.000 0.894 58 E CB 0.826 30.551 29.700 0.041 0.000 1.008 58 E HN 0.177 nan 8.360 nan 0.000 0.420 59 V N 5.736 125.658 119.914 0.013 0.000 2.599 59 V HA -0.099 4.021 4.120 -0.001 0.000 0.300 59 V C 1.499 177.592 176.094 -0.001 0.000 1.034 59 V CA 0.323 62.626 62.300 0.004 0.000 1.115 59 V CB 0.083 31.906 31.823 0.000 0.000 0.934 59 V HN 0.697 nan 8.190 nan 0.000 0.485 60 L N 2.895 124.112 121.223 -0.010 0.000 1.944 60 L HA -0.106 4.233 4.340 -0.001 0.000 0.218 60 L C 1.884 178.733 176.870 -0.036 0.000 1.075 60 L CA 1.834 56.660 54.840 -0.023 0.000 0.767 60 L CB -0.926 41.117 42.059 -0.026 0.000 0.890 60 L HN 0.663 nan 8.230 nan 0.000 0.434 61 E N -0.205 119.972 120.200 -0.039 0.000 2.405 61 E HA -0.147 4.203 4.350 -0.001 0.000 0.194 61 E C 0.871 177.439 176.600 -0.053 0.000 1.149 61 E CA 0.114 56.481 56.400 -0.055 0.000 0.933 61 E CB -0.278 29.390 29.700 -0.053 0.000 1.028 61 E HN 0.609 nan 8.360 nan 0.000 0.487 62 N N -0.283 118.398 118.700 -0.032 0.000 2.432 62 N HA 0.009 4.748 4.740 -0.001 0.000 0.174 62 N C 1.291 176.796 175.510 -0.008 0.000 1.037 62 N CA 0.377 53.417 53.050 -0.017 0.000 0.892 62 N CB 0.279 38.768 38.487 0.004 0.000 1.049 62 N HN 0.218 nan 8.380 nan 0.000 0.442 63 L N -0.320 120.897 121.223 -0.010 0.000 2.848 63 L HA 0.410 4.749 4.340 -0.001 0.000 0.240 63 L C 0.894 177.727 176.870 -0.062 0.000 1.232 63 L CA -0.160 54.683 54.840 0.005 0.000 1.031 63 L CB -0.576 41.507 42.059 0.042 0.000 1.338 63 L HN 0.012 nan 8.230 nan 0.000 0.509 64 I N -1.305 119.209 120.570 -0.094 0.000 2.133 64 I HA -0.004 4.165 4.170 -0.001 0.000 0.238 64 I C -0.191 175.800 176.117 -0.210 0.000 1.074 64 I CA 0.420 61.602 61.300 -0.196 0.000 1.342 64 I CB -2.425 35.360 38.000 -0.359 0.000 1.053 64 I HN 0.144 nan 8.210 nan 0.000 0.404 65 P HA -0.221 nan 4.420 nan 0.000 0.216 65 P C 1.542 178.862 177.300 0.033 0.000 1.150 65 P CA 1.863 64.910 63.100 -0.088 0.000 0.837 65 P CB -0.034 31.631 31.700 -0.058 0.000 0.786 66 E N -0.273 119.975 120.200 0.079 0.000 2.072 66 E HA -0.067 4.282 4.350 -0.001 0.000 0.190 66 E C 2.225 178.972 176.600 0.245 0.000 0.982 66 E CA 0.861 57.374 56.400 0.187 0.000 0.803 66 E CB -0.354 29.516 29.700 0.283 0.000 0.755 66 E HN 0.085 nan 8.360 nan 0.000 0.453 67 A N 0.496 123.371 122.820 0.091 0.000 1.877 67 A HA -0.163 4.156 4.320 -0.001 0.000 0.216 67 A C 1.853 179.521 177.584 0.140 0.000 1.186 67 A CA 1.120 53.134 52.037 -0.037 0.000 0.620 67 A CB -0.775 18.121 19.000 -0.174 0.000 0.822 67 A HN 0.279 nan 8.150 nan 0.000 0.443 68 F N 0.237 120.140 119.950 -0.079 0.000 2.216 68 F HA -0.052 4.474 4.527 -0.002 0.000 0.300 68 F C 2.738 178.456 175.800 -0.137 0.000 1.085 68 F CA 0.438 58.378 58.000 -0.100 0.000 1.326 68 F CB -0.720 38.251 39.000 -0.048 0.000 1.027 68 F HN 0.265 nan 8.300 nan 0.000 0.497 69 A N -0.382 122.514 122.820 0.127 0.000 1.969 69 A HA -0.084 4.235 4.320 -0.001 0.000 0.218 69 A C 2.353 179.925 177.584 -0.019 0.000 1.169 69 A CA 1.711 53.773 52.037 0.042 0.000 0.635 69 A CB -1.065 17.977 19.000 0.072 0.000 0.810 69 A HN 0.173 nan 8.150 nan 0.000 0.445 70 V N -0.396 119.524 119.914 0.010 0.000 2.323 70 V HA -0.195 3.924 4.120 -0.001 0.000 0.244 70 V C 2.535 178.513 176.094 -0.194 0.000 1.041 70 V CA 1.857 64.145 62.300 -0.020 0.000 1.025 70 V CB -0.957 30.940 31.823 0.125 0.000 0.656 70 V HN 0.352 nan 8.190 nan 0.000 0.451 71 V N 0.653 120.358 119.914 -0.349 0.000 2.392 71 V HA -0.299 3.820 4.120 -0.001 0.000 0.249 71 V C 2.576 178.352 176.094 -0.530 0.000 1.059 71 V CA 2.496 64.506 62.300 -0.483 0.000 1.051 71 V CB -0.960 30.531 31.823 -0.553 0.000 0.658 71 V HN 0.553 nan 8.190 nan 0.000 0.455 72 R N 0.102 120.255 120.500 -0.579 0.000 2.070 72 R HA -0.204 4.136 4.340 -0.001 0.000 0.233 72 R C 2.405 178.531 176.300 -0.289 0.000 1.137 72 R CA 1.865 57.619 56.100 -0.578 0.000 0.945 72 R CB -0.335 29.763 30.300 -0.337 0.000 0.845 72 R HN 0.415 nan 8.270 nan 0.000 0.430 73 E N 0.579 120.653 120.200 -0.210 0.000 2.049 73 E HA -0.207 4.143 4.350 -0.001 0.000 0.198 73 E C 1.894 178.351 176.600 -0.239 0.000 1.007 73 E CA 1.693 57.996 56.400 -0.161 0.000 0.809 73 E CB -0.491 29.151 29.700 -0.097 0.000 0.749 73 E HN 0.498 nan 8.360 nan 0.000 0.450 74 A N 0.545 123.184 122.820 -0.301 0.000 1.892 74 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 74 A C 2.462 179.718 177.584 -0.548 0.000 1.188 74 A CA 2.472 54.183 52.037 -0.543 0.000 0.631 74 A CB -0.890 17.853 19.000 -0.428 0.000 0.822 74 A HN 0.311 nan 8.150 nan 0.000 0.447 75 S N -0.575 114.922 115.700 -0.338 0.000 2.353 75 S HA -0.234 4.235 4.470 -0.001 0.000 0.222 75 S C 2.142 176.659 174.600 -0.140 0.000 1.035 75 S CA 1.994 60.092 58.200 -0.170 0.000 1.025 75 S CB -0.357 62.924 63.200 0.134 0.000 0.902 75 S HN 0.604 nan 8.310 nan 0.000 0.440 76 K N -0.002 120.322 120.400 -0.126 0.000 2.103 76 K HA -0.124 4.195 4.320 -0.001 0.000 0.207 76 K C 2.402 178.917 176.600 -0.141 0.000 1.048 76 K CA 1.337 57.566 56.287 -0.097 0.000 0.930 76 K CB -0.078 32.369 32.500 -0.089 0.000 0.716 76 K HN 0.287 nan 8.250 nan 0.000 0.444 77 R N -0.429 119.925 120.500 -0.243 0.000 2.062 77 R HA -0.014 4.325 4.340 -0.001 0.000 0.226 77 R C 2.273 178.381 176.300 -0.320 0.000 1.125 77 R CA 1.073 57.010 56.100 -0.271 0.000 0.966 77 R CB -0.043 30.047 30.300 -0.350 0.000 0.861 77 R HN 0.000 nan 8.270 nan 0.000 0.433 78 V N -0.214 119.394 119.914 -0.511 0.000 2.323 78 V HA -0.135 3.984 4.120 -0.001 0.000 0.244 78 V C 1.643 177.460 176.094 -0.462 0.000 1.041 78 V CA 1.722 63.675 62.300 -0.578 0.000 1.025 78 V CB -0.318 30.959 31.823 -0.910 0.000 0.656 78 V HN 0.227 nan 8.190 nan 0.000 0.451 79 F N -0.030 119.825 119.950 -0.160 0.000 2.622 79 F HA 0.461 4.987 4.527 -0.001 0.000 0.288 79 F C 1.780 177.514 175.800 -0.110 0.000 1.120 79 F CA 0.607 58.528 58.000 -0.131 0.000 1.423 79 F CB 0.146 39.057 39.000 -0.149 0.000 1.127 79 F HN 0.276 nan 8.300 nan 0.000 0.588 80 G N 1.686 110.511 108.800 0.041 0.000 2.204 80 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.244 80 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.244 80 G C -0.350 174.557 174.900 0.013 0.000 1.062 80 G CA -0.298 44.806 45.100 0.007 0.000 0.798 80 G HN 0.244 nan 8.290 nan 0.000 0.496 81 M N 0.010 119.621 119.600 0.019 0.000 2.106 81 M HA 0.358 4.837 4.480 -0.001 0.000 0.288 81 M C 0.204 176.477 176.300 -0.045 0.000 0.941 81 M CA -0.649 54.620 55.300 -0.050 0.000 0.934 81 M CB 1.947 34.495 32.600 -0.087 0.000 1.551 81 M HN 0.254 nan 8.290 nan 0.000 0.437 82 R N 3.262 123.704 120.500 -0.096 0.000 2.216 82 R HA 0.267 4.606 4.340 -0.001 0.000 0.332 82 R C -0.582 175.639 176.300 -0.132 0.000 1.056 82 R CA -0.359 55.711 56.100 -0.051 0.000 0.901 82 R CB 0.549 30.830 30.300 -0.033 0.000 1.039 82 R HN 0.686 nan 8.270 nan 0.000 0.456 83 H N 5.068 123.997 119.070 -0.235 0.000 3.157 83 H HA -0.095 4.461 4.556 -0.001 0.000 0.299 83 H C -0.066 175.178 175.328 -0.138 0.000 0.961 83 H CA 0.247 56.151 56.048 -0.240 0.000 1.428 83 H CB 0.245 29.940 29.762 -0.111 0.000 1.459 83 H HN 0.409 nan 8.280 nan 0.000 0.566 84 F N 2.754 122.760 119.950 0.094 0.000 2.553 84 F HA -0.135 4.391 4.527 -0.001 0.000 0.356 84 F C 1.848 177.702 175.800 0.089 0.000 1.142 84 F CA -0.765 57.276 58.000 0.068 0.000 1.322 84 F CB 0.567 39.587 39.000 0.034 0.000 1.126 84 F HN 0.660 nan 8.300 nan 0.000 0.599 85 D N 1.182 121.748 120.400 0.276 0.000 2.149 85 D HA -0.190 4.449 4.640 -0.001 0.000 0.198 85 D C 2.055 178.460 176.300 0.175 0.000 0.990 85 D CA 1.332 55.443 54.000 0.185 0.000 0.839 85 D CB -1.159 39.718 40.800 0.128 0.000 0.948 85 D HN 0.371 nan 8.370 nan 0.000 0.460 86 V N 0.115 120.133 119.914 0.174 0.000 2.469 86 V HA -0.303 3.816 4.120 -0.001 0.000 0.251 86 V C 2.224 178.413 176.094 0.158 0.000 1.064 86 V CA 2.030 64.409 62.300 0.132 0.000 1.066 86 V CB -0.473 31.402 31.823 0.086 0.000 0.667 86 V HN 0.147 nan 8.190 nan 0.000 0.461 87 Q N -0.528 119.399 119.800 0.212 0.000 2.119 87 Q HA -0.099 4.240 4.340 -0.001 0.000 0.201 87 Q C 2.246 178.361 176.000 0.192 0.000 0.972 87 Q CA 1.996 57.899 55.803 0.166 0.000 0.847 87 Q CB -0.189 28.612 28.738 0.106 0.000 0.903 87 Q HN 0.642 nan 8.270 nan 0.000 0.433 88 L N -0.039 121.327 121.223 0.239 0.000 2.093 88 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 88 L C 2.207 179.239 176.870 0.270 0.000 1.085 88 L CA 0.329 55.367 54.840 0.329 0.000 0.755 88 L CB -0.319 41.907 42.059 0.279 0.000 0.904 88 L HN 0.255 nan 8.230 nan 0.000 0.435 89 L N 0.288 121.612 121.223 0.169 0.000 1.989 89 L HA -0.158 4.182 4.340 -0.001 0.000 0.211 89 L C 2.471 179.418 176.870 0.127 0.000 1.071 89 L CA 2.258 57.167 54.840 0.114 0.000 0.749 89 L CB -1.299 40.812 42.059 0.086 0.000 0.890 89 L HN 0.198 nan 8.230 nan 0.000 0.431 90 G N -1.592 107.287 108.800 0.132 0.000 2.446 90 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.217 90 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.217 90 G C 1.558 176.550 174.900 0.153 0.000 1.168 90 G CA 0.723 45.891 45.100 0.113 0.000 0.771 90 G HN 0.592 nan 8.290 nan 0.000 0.551 91 G N 0.907 109.849 108.800 0.237 0.000 2.514 91 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.217 91 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.217 91 G C 1.892 177.031 174.900 0.398 0.000 1.198 91 G CA 1.265 46.562 45.100 0.328 0.000 0.780 91 G HN 0.401 nan 8.290 nan 0.000 0.565 92 M N -0.091 119.731 119.600 0.369 0.000 2.088 92 M HA -0.180 4.299 4.480 -0.001 0.000 0.256 92 M C 2.720 179.076 176.300 0.094 0.000 1.071 92 M CA 1.619 56.989 55.300 0.117 0.000 1.097 92 M CB -0.579 32.006 32.600 -0.025 0.000 1.315 92 M HN 0.153 nan 8.290 nan 0.000 0.406 93 V N 0.469 120.435 119.914 0.086 0.000 2.392 93 V HA -0.263 3.856 4.120 -0.001 0.000 0.249 93 V C 2.126 178.255 176.094 0.058 0.000 1.059 93 V CA 1.593 63.926 62.300 0.054 0.000 1.051 93 V CB -0.854 30.995 31.823 0.044 0.000 0.658 93 V HN 0.507 nan 8.190 nan 0.000 0.455 94 L N 0.470 121.749 121.223 0.093 0.000 2.622 94 L HA -0.036 4.303 4.340 -0.001 0.000 0.233 94 L C 1.876 178.845 176.870 0.166 0.000 1.156 94 L CA 1.042 55.945 54.840 0.105 0.000 0.866 94 L CB -0.538 41.594 42.059 0.121 0.000 0.980 94 L HN 0.438 nan 8.230 nan 0.000 0.448 95 N N -0.162 118.609 118.700 0.119 0.000 2.205 95 N HA -0.026 4.713 4.740 -0.001 0.000 0.201 95 N C 0.720 176.241 175.510 0.018 0.000 1.128 95 N CA 0.146 53.227 53.050 0.052 0.000 0.867 95 N CB 0.502 39.018 38.487 0.047 0.000 0.996 95 N HN 0.236 nan 8.380 nan 0.000 0.503 96 E N 0.106 120.327 120.200 0.034 0.000 2.651 96 E HA 0.157 4.506 4.350 -0.001 0.000 0.208 96 E C -0.535 176.074 176.600 0.016 0.000 0.997 96 E CA -0.289 56.120 56.400 0.015 0.000 1.020 96 E CB 0.385 30.089 29.700 0.006 0.000 1.052 96 E HN 0.207 nan 8.360 nan 0.000 0.465 97 R N 0.218 120.733 120.500 0.024 0.000 3.336 97 R HA -0.186 4.153 4.340 -0.001 0.000 0.260 97 R C -1.353 174.933 176.300 -0.024 0.000 1.032 97 R CA 0.302 56.402 56.100 -0.001 0.000 0.693 97 R CB -2.187 28.119 30.300 0.010 0.000 1.134 97 R HN 0.310 nan 8.270 nan 0.000 0.433 98 C N 0.554 119.833 119.300 -0.034 0.000 2.822 98 C HA 0.695 5.154 4.460 -0.001 0.000 0.341 98 C C -0.134 174.795 174.990 -0.102 0.000 1.301 98 C CA -0.951 58.040 59.018 -0.044 0.000 1.706 98 C CB 1.647 29.382 27.740 -0.010 0.000 2.178 98 C HN 0.439 nan 8.230 nan 0.000 0.481 99 I N 2.495 123.005 120.570 -0.100 0.000 2.390 99 I HA 0.335 4.504 4.170 -0.001 0.000 0.283 99 I C 0.446 176.529 176.117 -0.058 0.000 1.016 99 I CA -0.193 61.013 61.300 -0.156 0.000 1.151 99 I CB 0.494 38.361 38.000 -0.222 0.000 1.293 99 I HN 0.759 nan 8.210 nan 0.000 0.458 100 A N 6.111 128.900 122.820 -0.051 0.000 2.350 100 A HA 0.254 4.574 4.320 -0.001 0.000 0.293 100 A C 0.446 178.028 177.584 -0.002 0.000 1.231 100 A CA -0.384 51.649 52.037 -0.007 0.000 0.883 100 A CB -0.005 19.000 19.000 0.008 0.000 1.133 100 A HN 0.725 nan 8.150 nan 0.000 0.533 101 E N 3.668 123.880 120.200 0.021 0.000 2.152 101 E HA 0.460 4.809 4.350 -0.001 0.000 0.285 101 E C -0.838 175.778 176.600 0.027 0.000 1.043 101 E CA -0.072 56.346 56.400 0.030 0.000 0.839 101 E CB 0.356 30.086 29.700 0.050 0.000 1.069 101 E HN 0.679 nan 8.360 nan 0.000 0.399 102 M N 4.378 123.990 119.600 0.021 0.000 2.263 102 M HA 0.417 4.896 4.480 -0.001 0.000 0.295 102 M C -0.320 175.991 176.300 0.019 0.000 1.028 102 M CA -1.028 54.285 55.300 0.022 0.000 0.921 102 M CB 1.980 34.595 32.600 0.024 0.000 1.601 102 M HN 0.275 nan 8.290 nan 0.000 0.440 103 R N 1.143 121.655 120.500 0.020 0.000 2.756 103 R HA 0.127 4.466 4.340 -0.001 0.000 0.264 103 R C -0.113 176.198 176.300 0.017 0.000 1.026 103 R CA 0.287 56.398 56.100 0.018 0.000 1.121 103 R CB 0.094 30.404 30.300 0.017 0.000 0.999 103 R HN 0.628 nan 8.270 nan 0.000 0.449 104 T N 1.395 115.958 114.554 0.017 0.000 2.905 104 T HA 0.148 4.497 4.350 -0.001 0.000 0.299 104 T C 1.289 176.001 174.700 0.019 0.000 1.024 104 T CA 1.549 63.658 62.100 0.015 0.000 1.151 104 T CB 0.282 69.160 68.868 0.016 0.000 0.987 104 T HN 0.737 nan 8.240 nan 0.000 0.535 105 G N 3.244 112.055 108.800 0.019 0.000 2.195 105 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.246 105 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.246 105 G C 0.859 175.785 174.900 0.042 0.000 0.984 105 G CA 0.129 45.246 45.100 0.029 0.000 0.633 105 G HN 0.653 nan 8.290 nan 0.000 0.525 106 E N 0.586 120.808 120.200 0.038 0.000 2.418 106 E HA 0.217 4.566 4.350 -0.001 0.000 0.197 106 E C 1.825 178.475 176.600 0.084 0.000 1.026 106 E CA 1.248 57.685 56.400 0.061 0.000 0.862 106 E CB -0.325 29.401 29.700 0.042 0.000 0.799 106 E HN 1.674 nan 8.360 nan 0.000 0.518 107 G N 1.958 110.776 108.800 0.030 0.000 2.270 107 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.224 107 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.224 107 G C 0.719 175.585 174.900 -0.056 0.000 1.079 107 G CA 0.434 45.520 45.100 -0.024 0.000 0.807 107 G HN 0.231 nan 8.290 nan 0.000 0.492 108 K N -0.565 119.812 120.400 -0.038 0.000 2.063 108 K HA -0.100 4.219 4.320 -0.001 0.000 0.208 108 K C 2.617 179.184 176.600 -0.055 0.000 1.048 108 K CA 1.870 58.135 56.287 -0.037 0.000 0.928 108 K CB -0.274 32.209 32.500 -0.029 0.000 0.713 108 K HN 0.383 nan 8.250 nan 0.000 0.442 109 T N 1.804 116.312 114.554 -0.077 0.000 2.699 109 T HA -0.163 4.187 4.350 -0.001 0.000 0.268 109 T C 1.658 176.287 174.700 -0.119 0.000 1.036 109 T CA 1.258 63.304 62.100 -0.090 0.000 1.147 109 T CB -0.144 68.639 68.868 -0.141 0.000 0.862 109 T HN 0.078 nan 8.240 nan 0.000 0.446 110 L N 0.580 121.685 121.223 -0.196 0.000 2.375 110 L HA 0.181 4.520 4.340 -0.001 0.000 0.215 110 L C 2.317 179.021 176.870 -0.276 0.000 1.108 110 L CA 1.383 56.049 54.840 -0.291 0.000 0.830 110 L CB -0.824 40.973 42.059 -0.437 0.000 0.959 110 L HN 0.121 nan 8.230 nan 0.000 0.457 111 T N -0.370 114.075 114.554 -0.182 0.000 2.962 111 T HA -0.025 4.324 4.350 -0.001 0.000 0.270 111 T C 1.793 176.476 174.700 -0.027 0.000 1.088 111 T CA 0.997 63.039 62.100 -0.096 0.000 1.127 111 T CB -0.187 68.662 68.868 -0.032 0.000 0.883 111 T HN 0.447 nan 8.240 nan 0.000 0.493 112 A N 1.715 124.535 122.820 -0.000 0.000 2.067 112 A HA -0.013 4.307 4.320 -0.001 0.000 0.217 112 A C 2.560 180.232 177.584 0.146 0.000 1.156 112 A CA 1.588 53.667 52.037 0.070 0.000 0.683 112 A CB -0.957 18.095 19.000 0.087 0.000 0.808 112 A HN 0.587 nan 8.150 nan 0.000 0.455 113 T N -1.112 113.515 114.554 0.121 0.000 2.881 113 T HA -0.113 4.236 4.350 -0.001 0.000 0.270 113 T C 1.771 176.570 174.700 0.164 0.000 1.068 113 T CA 1.384 63.603 62.100 0.198 0.000 1.131 113 T CB -0.607 68.187 68.868 -0.124 0.000 0.871 113 T HN 0.322 nan 8.240 nan 0.000 0.479 114 L N 1.599 122.788 121.223 -0.056 0.000 1.937 114 L HA 0.031 4.371 4.340 -0.001 0.000 0.213 114 L C 0.129 176.824 176.870 -0.292 0.000 1.077 114 L CA 1.537 56.107 54.840 -0.450 0.000 0.758 114 L CB -1.784 39.746 42.059 -0.881 0.000 0.888 114 L HN 0.224 nan 8.230 nan 0.000 0.433 115 P HA -0.125 nan 4.420 nan 0.000 0.226 115 P C 1.064 178.437 177.300 0.123 0.000 1.153 115 P CA 1.624 64.778 63.100 0.090 0.000 0.777 115 P CB 0.092 31.910 31.700 0.195 0.000 0.794 116 A N -1.498 121.444 122.820 0.204 0.000 2.119 116 A HA -0.123 4.196 4.320 -0.001 0.000 0.216 116 A C 2.130 179.798 177.584 0.139 0.000 1.152 116 A CA 0.618 52.781 52.037 0.209 0.000 0.708 116 A CB -1.353 17.788 19.000 0.235 0.000 0.805 116 A HN 0.157 nan 8.150 nan 0.000 0.460 117 Y N -0.546 119.816 120.300 0.104 0.000 2.262 117 Y HA 0.064 4.614 4.550 -0.001 0.000 0.295 117 Y C 1.866 177.761 175.900 -0.009 0.000 1.121 117 Y CA 1.188 59.347 58.100 0.099 0.000 1.144 117 Y CB -0.274 38.269 38.460 0.139 0.000 1.043 117 Y HN 0.197 nan 8.280 nan 0.000 0.528 118 L N 1.324 122.618 121.223 0.119 0.000 1.997 118 L HA -0.312 4.027 4.340 -0.001 0.000 0.216 118 L C 1.878 178.656 176.870 -0.154 0.000 1.074 118 L CA 2.343 57.176 54.840 -0.012 0.000 0.763 118 L CB -1.053 41.077 42.059 0.119 0.000 0.890 118 L HN 0.319 nan 8.230 nan 0.000 0.434 119 N N -0.384 118.208 118.700 -0.180 0.000 2.270 119 N HA -0.044 4.695 4.740 -0.001 0.000 0.181 119 N C 1.392 176.836 175.510 -0.110 0.000 1.016 119 N CA 1.105 54.028 53.050 -0.212 0.000 0.870 119 N CB -0.193 37.996 38.487 -0.495 0.000 0.979 119 N HN 0.473 nan 8.380 nan 0.000 0.431 120 A N 0.700 123.430 122.820 -0.151 0.000 2.236 120 A HA 0.123 4.442 4.320 -0.001 0.000 0.214 120 A C 1.779 179.241 177.584 -0.203 0.000 1.287 120 A CA 0.207 52.146 52.037 -0.163 0.000 0.909 120 A CB -0.541 18.316 19.000 -0.237 0.000 0.839 120 A HN 0.178 nan 8.150 nan 0.000 0.486 121 L N -1.587 119.519 121.223 -0.195 0.000 2.388 121 L HA -0.012 4.327 4.340 -0.001 0.000 0.209 121 L C 2.822 179.640 176.870 -0.085 0.000 1.061 121 L CA 1.225 55.959 54.840 -0.175 0.000 0.834 121 L CB -0.497 41.435 42.059 -0.212 0.000 1.029 121 L HN 0.548 nan 8.230 nan 0.000 0.473 122 T N -2.448 112.070 114.554 -0.060 0.000 2.929 122 T HA -0.051 4.298 4.350 -0.001 0.000 0.271 122 T C 1.574 176.239 174.700 -0.059 0.000 1.085 122 T CA 1.278 63.349 62.100 -0.048 0.000 1.125 122 T CB -0.051 68.790 68.868 -0.045 0.000 0.874 122 T HN 0.528 nan 8.240 nan 0.000 0.494 123 G N 1.051 109.819 108.800 -0.054 0.000 2.213 123 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.236 123 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.236 123 G C 0.844 175.718 174.900 -0.044 0.000 0.991 123 G CA 0.345 45.416 45.100 -0.047 0.000 0.629 123 G HN 0.570 nan 8.290 nan 0.000 0.517 124 K N 0.789 121.144 120.400 -0.075 0.000 2.439 124 K HA 0.405 4.724 4.320 -0.001 0.000 0.197 124 K C 1.447 178.092 176.600 0.074 0.000 1.041 124 K CA 0.733 56.965 56.287 -0.092 0.000 0.970 124 K CB -0.066 32.145 32.500 -0.480 0.000 0.773 124 K HN 1.608 nan 8.250 nan 0.000 0.479 125 G N 0.098 108.948 108.800 0.083 0.000 2.699 125 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.686 125 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.686 125 G C -1.077 173.878 174.900 0.092 0.000 1.301 125 G CA -0.951 44.173 45.100 0.040 0.000 0.816 125 G HN -0.019 nan 8.290 nan 0.000 0.595 126 V N 2.174 122.019 119.914 -0.114 0.000 2.733 126 V HA 0.531 4.650 4.120 -0.001 0.000 0.306 126 V C -0.551 175.333 176.094 -0.349 0.000 1.084 126 V CA -0.964 61.297 62.300 -0.065 0.000 0.905 126 V CB 2.096 33.911 31.823 -0.013 0.000 1.010 126 V HN 0.862 nan 8.190 nan 0.000 0.424 127 H N 3.516 122.496 119.070 -0.150 0.000 2.661 127 H HA 0.405 4.960 4.556 -0.002 0.000 0.290 127 H C -0.670 174.376 175.328 -0.469 0.000 1.082 127 H CA -0.368 55.499 56.048 -0.302 0.000 1.234 127 H CB 1.837 31.394 29.762 -0.342 0.000 1.387 127 H HN 0.367 nan 8.280 nan 0.000 0.476 128 V N 5.017 124.706 119.914 -0.375 0.000 2.432 128 V HA 0.069 4.188 4.120 -0.001 0.000 0.271 128 V C 0.576 176.613 176.094 -0.096 0.000 1.046 128 V CA -0.547 61.548 62.300 -0.343 0.000 0.945 128 V CB 1.217 32.703 31.823 -0.562 0.000 0.992 128 V HN 0.393 nan 8.190 nan 0.000 0.471 129 V N 4.965 124.816 119.914 -0.106 0.000 2.481 129 V HA 0.619 4.738 4.120 -0.001 0.000 0.286 129 V C 0.362 176.485 176.094 0.047 0.000 1.042 129 V CA -0.255 62.074 62.300 0.049 0.000 0.928 129 V CB 1.785 33.553 31.823 -0.092 0.000 0.986 129 V HN 0.994 nan 8.190 nan 0.000 0.462 130 T N 1.383 116.005 114.554 0.112 0.000 2.916 130 T HA 0.388 4.738 4.350 -0.001 0.000 0.292 130 T C 1.105 175.821 174.700 0.026 0.000 1.064 130 T CA -0.170 61.957 62.100 0.044 0.000 1.011 130 T CB 1.775 70.668 68.868 0.042 0.000 1.152 130 T HN 0.533 nan 8.240 nan 0.000 0.510 131 V N -1.057 118.851 119.914 -0.009 0.000 2.626 131 V HA 0.039 4.158 4.120 -0.001 0.000 0.252 131 V C 0.514 176.602 176.094 -0.011 0.000 1.067 131 V CA 1.351 63.644 62.300 -0.013 0.000 1.081 131 V CB -1.572 30.232 31.823 -0.032 0.000 0.686 131 V HN 0.982 nan 8.190 nan 0.000 0.468 132 N N -2.480 116.201 118.700 -0.030 0.000 2.708 132 N HA 0.281 5.020 4.740 -0.001 0.000 0.257 132 N C -0.196 175.319 175.510 0.009 0.000 1.373 132 N CA -0.260 52.776 53.050 -0.022 0.000 0.843 132 N CB 0.907 39.295 38.487 -0.165 0.000 1.503 132 N HN -0.147 nan 8.380 nan 0.000 0.504 133 D N -0.337 120.096 120.400 0.055 0.000 2.116 133 D HA -0.199 4.440 4.640 -0.001 0.000 0.193 133 D C 1.252 177.574 176.300 0.036 0.000 0.998 133 D CA 1.709 55.737 54.000 0.046 0.000 0.836 133 D CB -0.457 40.384 40.800 0.069 0.000 0.951 133 D HN 0.626 nan 8.370 nan 0.000 0.449 134 Y N 1.388 121.689 120.300 0.002 0.000 2.081 134 Y HA -0.250 4.299 4.550 -0.001 0.000 0.280 134 Y C 2.084 177.956 175.900 -0.047 0.000 1.163 134 Y CA 1.390 59.487 58.100 -0.005 0.000 1.135 134 Y CB -0.484 38.001 38.460 0.041 0.000 0.970 134 Y HN -0.093 nan 8.280 nan 0.000 0.498 135 L N 0.391 121.431 121.223 -0.306 0.000 1.989 135 L HA -0.212 4.127 4.340 -0.001 0.000 0.211 135 L C 2.815 179.499 176.870 -0.311 0.000 1.071 135 L CA 2.055 56.670 54.840 -0.375 0.000 0.749 135 L CB -2.202 39.780 42.059 -0.128 0.000 0.890 135 L HN 0.482 nan 8.230 nan 0.000 0.431 136 A N -0.909 121.816 122.820 -0.158 0.000 1.873 136 A HA -0.310 4.009 4.320 -0.001 0.000 0.218 136 A C 2.311 179.781 177.584 -0.191 0.000 1.193 136 A CA 2.215 54.205 52.037 -0.078 0.000 0.629 136 A CB -0.675 18.335 19.000 0.017 0.000 0.826 136 A HN 0.549 nan 8.150 nan 0.000 0.447 137 Q N -1.142 118.543 119.800 -0.192 0.000 2.016 137 Q HA -0.199 4.140 4.340 -0.001 0.000 0.200 137 Q C 2.455 178.278 176.000 -0.295 0.000 0.978 137 Q CA 1.268 56.955 55.803 -0.193 0.000 0.833 137 Q CB -0.254 28.409 28.738 -0.126 0.000 0.895 137 Q HN 0.594 nan 8.270 nan 0.000 0.427 138 R N 0.760 121.007 120.500 -0.422 0.000 2.112 138 R HA -0.218 4.121 4.340 -0.001 0.000 0.242 138 R C 1.369 177.434 176.300 -0.392 0.000 1.137 138 R CA 2.307 58.127 56.100 -0.467 0.000 0.944 138 R CB -0.605 29.195 30.300 -0.833 0.000 0.857 138 R HN 0.357 nan 8.270 nan 0.000 0.435 139 D N 0.083 120.212 120.400 -0.452 0.000 2.084 139 D HA -0.113 4.526 4.640 -0.001 0.000 0.194 139 D C 1.852 177.776 176.300 -0.627 0.000 0.990 139 D CA 1.784 55.480 54.000 -0.507 0.000 0.826 139 D CB -0.500 39.966 40.800 -0.557 0.000 0.971 139 D HN 0.385 nan 8.370 nan 0.000 0.453 140 A N 1.112 123.419 122.820 -0.854 0.000 1.873 140 A HA -0.272 4.047 4.320 -0.001 0.000 0.218 140 A C 2.070 179.541 177.584 -0.187 0.000 1.193 140 A CA 2.020 53.711 52.037 -0.577 0.000 0.629 140 A CB -0.809 18.035 19.000 -0.260 0.000 0.826 140 A HN 0.239 nan 8.150 nan 0.000 0.447 141 E N 0.080 120.173 120.200 -0.177 0.000 2.063 141 E HA -0.274 4.075 4.350 -0.001 0.000 0.221 141 E C 0.851 177.417 176.600 -0.056 0.000 1.052 141 E CA 1.744 58.088 56.400 -0.092 0.000 0.891 141 E CB -0.309 29.321 29.700 -0.118 0.000 0.792 141 E HN 0.869 nan 8.360 nan 0.000 0.482 142 N N -0.013 118.619 118.700 -0.114 0.000 2.466 142 N HA 0.015 4.754 4.740 -0.001 0.000 0.251 142 N C -0.038 175.392 175.510 -0.132 0.000 1.164 142 N CA 0.243 53.238 53.050 -0.092 0.000 0.888 142 N CB 0.440 38.832 38.487 -0.158 0.000 1.177 142 N HN 0.038 nan 8.380 nan 0.000 0.498 143 N N -0.439 118.246 118.700 -0.024 0.000 2.067 143 N HA 0.158 4.898 4.740 -0.001 0.000 0.227 143 N C 1.160 176.783 175.510 0.190 0.000 1.348 143 N CA -0.148 52.910 53.050 0.013 0.000 0.879 143 N CB 0.356 38.799 38.487 -0.074 0.000 1.109 143 N HN 0.175 nan 8.380 nan 0.000 0.501 144 R N 1.227 121.856 120.500 0.216 0.000 2.070 144 R HA 0.020 4.359 4.340 -0.001 0.000 0.232 144 R C -0.999 175.433 176.300 0.220 0.000 1.138 144 R CA 1.689 57.954 56.100 0.274 0.000 0.936 144 R CB -0.944 29.466 30.300 0.183 0.000 0.839 144 R HN 0.102 nan 8.270 nan 0.000 0.429 145 P HA -0.230 nan 4.420 nan 0.000 0.218 145 P C 1.368 178.612 177.300 -0.092 0.000 1.152 145 P CA 1.368 64.480 63.100 0.019 0.000 0.857 145 P CB -0.136 31.538 31.700 -0.044 0.000 0.787 146 L N -2.456 118.630 121.223 -0.229 0.000 2.056 146 L HA -0.125 4.215 4.340 -0.001 0.000 0.207 146 L C 2.213 179.077 176.870 -0.010 0.000 1.078 146 L CA 1.564 56.205 54.840 -0.331 0.000 0.749 146 L CB -0.458 41.400 42.059 -0.335 0.000 0.901 146 L HN -0.061 nan 8.230 nan 0.000 0.433 147 F N 0.195 120.236 119.950 0.152 0.000 2.206 147 F HA -0.160 4.366 4.527 -0.001 0.000 0.298 147 F C 2.480 178.381 175.800 0.168 0.000 1.090 147 F CA 0.760 58.872 58.000 0.187 0.000 1.323 147 F CB 0.066 39.178 39.000 0.187 0.000 1.028 147 F HN 0.128 nan 8.300 nan 0.000 0.492 148 E N -0.153 120.238 120.200 0.319 0.000 2.152 148 E HA -0.191 4.158 4.350 -0.001 0.000 0.192 148 E C 1.833 178.537 176.600 0.173 0.000 0.983 148 E CA 0.836 57.357 56.400 0.202 0.000 0.818 148 E CB -0.264 29.523 29.700 0.144 0.000 0.758 148 E HN 0.405 nan 8.360 nan 0.000 0.467 149 F N 1.628 121.608 119.950 0.050 0.000 2.031 149 F HA -0.151 4.375 4.527 -0.001 0.000 0.295 149 F C 1.859 177.696 175.800 0.062 0.000 1.133 149 F CA 1.288 59.294 58.000 0.010 0.000 1.188 149 F CB -0.122 38.836 39.000 -0.070 0.000 0.974 149 F HN -0.123 nan 8.300 nan 0.000 0.473 150 L N 0.722 122.190 121.223 0.408 0.000 2.721 150 L HA 0.030 4.369 4.340 -0.001 0.000 0.241 150 L C 1.146 178.171 176.870 0.259 0.000 1.168 150 L CA 0.704 55.766 54.840 0.370 0.000 0.866 150 L CB -1.563 40.811 42.059 0.526 0.000 0.996 150 L HN 0.578 nan 8.230 nan 0.000 0.451 151 G N 0.647 109.530 108.800 0.139 0.000 2.298 151 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.287 151 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.287 151 G C -0.305 174.659 174.900 0.106 0.000 1.075 151 G CA -0.053 45.097 45.100 0.085 0.000 0.960 151 G HN 0.274 nan 8.290 nan 0.000 0.502 152 L N -0.421 120.888 121.223 0.144 0.000 2.350 152 L HA 0.760 5.099 4.340 -0.001 0.000 0.260 152 L C 0.563 177.478 176.870 0.074 0.000 1.015 152 L CA -0.963 53.928 54.840 0.085 0.000 0.821 152 L CB 2.443 44.547 42.059 0.073 0.000 1.370 152 L HN 0.275 nan 8.230 nan 0.000 0.416 153 T N -0.405 114.157 114.554 0.014 0.000 2.859 153 T HA 0.672 5.021 4.350 -0.001 0.000 0.281 153 T C -0.478 174.218 174.700 -0.008 0.000 1.005 153 T CA -0.713 61.402 62.100 0.024 0.000 1.025 153 T CB 2.066 70.944 68.868 0.015 0.000 0.977 153 T HN 0.189 nan 8.240 nan 0.000 0.458 154 V N 1.567 121.508 119.914 0.046 0.000 2.487 154 V HA 0.780 4.899 4.120 -0.001 0.000 0.298 154 V C 0.620 176.753 176.094 0.065 0.000 1.028 154 V CA -0.759 61.580 62.300 0.065 0.000 0.860 154 V CB 1.525 33.468 31.823 0.199 0.000 0.991 154 V HN 1.200 nan 8.190 nan 0.000 0.427 155 G N 3.851 112.673 108.800 0.037 0.000 2.432 155 G HA2 0.807 4.766 3.960 -0.001 0.000 0.331 155 G HA3 0.807 4.766 3.960 -0.001 0.000 0.331 155 G C -0.994 173.927 174.900 0.036 0.000 1.170 155 G CA -0.687 44.423 45.100 0.017 0.000 0.943 155 G HN 0.635 nan 8.290 nan 0.000 0.483 156 I N 1.422 121.995 120.570 0.004 0.000 2.411 156 I HA 0.189 4.358 4.170 -0.001 0.000 0.284 156 I C -0.720 175.347 176.117 -0.083 0.000 1.012 156 I CA -0.900 60.399 61.300 -0.003 0.000 1.119 156 I CB 1.941 39.942 38.000 0.001 0.000 1.261 156 I HN 0.322 nan 8.210 nan 0.000 0.448 157 N N 7.686 126.282 118.700 -0.175 0.000 2.419 157 N HA 0.609 5.348 4.740 -0.001 0.000 0.264 157 N C -1.340 174.058 175.510 -0.187 0.000 1.031 157 N CA 0.059 52.956 53.050 -0.254 0.000 0.951 157 N CB 0.795 38.959 38.487 -0.539 0.000 1.101 157 N HN 0.513 nan 8.380 nan 0.000 0.488 158 L N 4.524 125.689 121.223 -0.096 0.000 2.309 158 L HA 0.536 4.875 4.340 -0.001 0.000 0.261 158 L C -1.491 175.371 176.870 -0.014 0.000 1.021 158 L CA -2.192 52.617 54.840 -0.052 0.000 0.823 158 L CB 2.199 44.242 42.059 -0.027 0.000 1.366 158 L HN 0.398 nan 8.230 nan 0.000 0.423 159 P HA -0.160 nan 4.420 nan 0.000 0.215 159 P C 0.953 178.264 177.300 0.018 0.000 1.163 159 P CA 1.325 64.442 63.100 0.028 0.000 0.894 159 P CB 0.165 31.885 31.700 0.034 0.000 0.791 160 G N -1.641 107.166 108.800 0.011 0.000 3.440 160 G HA2 0.193 4.152 3.960 -0.001 0.000 0.263 160 G HA3 0.193 4.152 3.960 -0.001 0.000 0.263 160 G C 0.187 175.096 174.900 0.016 0.000 1.236 160 G CA -0.180 44.926 45.100 0.010 0.000 0.927 160 G HN 0.182 nan 8.290 nan 0.000 0.530 161 M N 1.221 120.835 119.600 0.023 0.000 2.146 161 M HA 0.247 4.726 4.480 -0.001 0.000 0.357 161 M C -2.278 174.047 176.300 0.042 0.000 1.261 161 M CA -1.535 53.783 55.300 0.030 0.000 1.106 161 M CB 1.323 33.941 32.600 0.030 0.000 1.612 161 M HN -0.158 nan 8.290 nan 0.000 0.470 162 P HA 0.034 nan 4.420 nan 0.000 0.270 162 P C 0.203 177.538 177.300 0.057 0.000 1.227 162 P CA 0.118 63.243 63.100 0.041 0.000 0.788 162 P CB 0.619 32.337 31.700 0.031 0.000 0.926 163 A N 3.896 126.753 122.820 0.062 0.000 1.903 163 A HA -0.178 4.141 4.320 -0.001 0.000 0.219 163 A C -0.488 177.140 177.584 0.073 0.000 1.191 163 A CA 2.143 54.225 52.037 0.075 0.000 0.638 163 A CB -2.529 16.515 19.000 0.074 0.000 0.823 163 A HN 0.512 nan 8.150 nan 0.000 0.451 164 P HA -0.222 nan 4.420 nan 0.000 0.213 164 P C 1.880 179.216 177.300 0.061 0.000 1.176 164 P CA 2.283 65.411 63.100 0.047 0.000 0.919 164 P CB -0.234 31.484 31.700 0.031 0.000 0.791 165 A N -0.094 122.760 122.820 0.055 0.000 1.892 165 A HA -0.289 4.030 4.320 -0.001 0.000 0.218 165 A C 2.098 179.732 177.584 0.083 0.000 1.188 165 A CA 2.213 54.283 52.037 0.055 0.000 0.631 165 A CB -1.276 17.748 19.000 0.041 0.000 0.822 165 A HN 0.169 nan 8.150 nan 0.000 0.447 166 K N -0.795 119.675 120.400 0.117 0.000 2.147 166 K HA -0.120 4.200 4.320 -0.001 0.000 0.205 166 K C 2.221 179.007 176.600 0.310 0.000 1.049 166 K CA 1.248 57.664 56.287 0.214 0.000 0.936 166 K CB -0.193 32.457 32.500 0.250 0.000 0.722 166 K HN 0.460 nan 8.250 nan 0.000 0.446 167 R N 0.797 121.413 120.500 0.194 0.000 2.092 167 R HA -0.089 4.251 4.340 -0.001 0.000 0.231 167 R C 2.125 178.527 176.300 0.169 0.000 1.119 167 R CA 0.892 57.097 56.100 0.174 0.000 0.970 167 R CB -0.068 30.292 30.300 0.099 0.000 0.864 167 R HN 0.200 nan 8.270 nan 0.000 0.440 168 E N 0.972 121.244 120.200 0.120 0.000 2.023 168 E HA -0.172 4.177 4.350 -0.001 0.000 0.196 168 E C 2.078 178.725 176.600 0.079 0.000 1.003 168 E CA 1.518 57.968 56.400 0.083 0.000 0.809 168 E CB -0.347 29.387 29.700 0.056 0.000 0.755 168 E HN 0.302 nan 8.360 nan 0.000 0.449 169 A N 0.229 123.084 122.820 0.060 0.000 1.978 169 A HA -0.192 4.127 4.320 -0.001 0.000 0.220 169 A C 1.851 179.406 177.584 -0.048 0.000 1.170 169 A CA 1.390 53.410 52.037 -0.027 0.000 0.636 169 A CB -0.711 18.220 19.000 -0.115 0.000 0.810 169 A HN 0.274 nan 8.150 nan 0.000 0.448 170 Y N -1.155 119.192 120.300 0.079 0.000 2.500 170 Y HA 0.297 4.847 4.550 -0.001 0.000 0.270 170 Y C 2.543 178.474 175.900 0.052 0.000 1.134 170 Y CA 0.245 58.405 58.100 0.101 0.000 1.293 170 Y CB -0.062 38.500 38.460 0.170 0.000 1.063 170 Y HN 0.319 nan 8.280 nan 0.000 0.534 171 A N 0.518 123.442 122.820 0.173 0.000 1.970 171 A HA 0.220 4.539 4.320 -0.001 0.000 0.216 171 A C 1.754 179.366 177.584 0.048 0.000 1.170 171 A CA 0.666 52.763 52.037 0.099 0.000 0.645 171 A CB -0.930 18.117 19.000 0.079 0.000 0.816 171 A HN 0.244 nan 8.150 nan 0.000 0.447 172 A N 0.434 123.269 122.820 0.025 0.000 2.433 172 A HA 0.238 4.557 4.320 -0.001 0.000 0.250 172 A C 0.794 178.349 177.584 -0.048 0.000 1.113 172 A CA 0.506 52.534 52.037 -0.014 0.000 0.794 172 A CB 0.120 19.105 19.000 -0.025 0.000 1.067 172 A HN 0.431 nan 8.150 nan 0.000 0.510 173 D N -0.718 119.633 120.400 -0.080 0.000 2.194 173 D HA 0.062 4.701 4.640 -0.001 0.000 0.204 173 D C 0.304 176.490 176.300 -0.190 0.000 0.964 173 D CA 1.213 55.143 54.000 -0.117 0.000 0.846 173 D CB -0.001 40.721 40.800 -0.131 0.000 0.962 173 D HN 0.445 nan 8.370 nan 0.000 0.490 174 I N 1.001 121.427 120.570 -0.240 0.000 2.466 174 I HA 0.183 4.352 4.170 -0.001 0.000 0.289 174 I C -0.648 175.314 176.117 -0.259 0.000 1.026 174 I CA -0.335 60.765 61.300 -0.333 0.000 1.078 174 I CB 2.299 39.961 38.000 -0.562 0.000 1.249 174 I HN -0.317 nan 8.210 nan 0.000 0.429 175 T N 4.433 118.786 114.554 -0.335 0.000 2.863 175 T HA 0.595 4.945 4.350 -0.001 0.000 0.285 175 T C -1.059 173.494 174.700 -0.244 0.000 1.009 175 T CA -0.640 61.325 62.100 -0.224 0.000 0.989 175 T CB 1.480 70.214 68.868 -0.223 0.000 1.004 175 T HN 0.202 nan 8.240 nan 0.000 0.455 176 Y N 0.302 120.621 120.300 0.032 0.000 2.409 176 Y HA 0.707 5.256 4.550 -0.001 0.000 0.343 176 Y C 0.691 176.591 175.900 0.000 0.000 0.973 176 Y CA -0.315 57.836 58.100 0.085 0.000 1.064 176 Y CB 2.561 41.029 38.460 0.013 0.000 1.207 176 Y HN 1.050 nan 8.280 nan 0.000 0.452 177 G N 0.192 109.122 108.800 0.217 0.000 2.488 177 G HA2 0.471 4.430 3.960 -0.001 0.000 0.301 177 G HA3 0.471 4.430 3.960 -0.001 0.000 0.301 177 G C -1.264 173.683 174.900 0.080 0.000 1.339 177 G CA -0.839 44.137 45.100 -0.206 0.000 0.803 177 G HN 0.546 nan 8.290 nan 0.000 0.482 178 T N -1.299 113.231 114.554 -0.039 0.000 2.943 178 T HA 0.374 4.723 4.350 -0.001 0.000 0.284 178 T C 1.577 176.420 174.700 0.238 0.000 1.015 178 T CA 0.082 62.249 62.100 0.112 0.000 1.042 178 T CB 1.630 70.526 68.868 0.046 0.000 1.055 178 T HN 0.696 nan 8.240 nan 0.000 0.500 179 N N 2.854 121.706 118.700 0.253 0.000 2.036 179 N HA -0.247 4.492 4.740 -0.001 0.000 0.195 179 N C 1.207 176.663 175.510 -0.090 0.000 1.037 179 N CA 1.486 54.726 53.050 0.318 0.000 0.855 179 N CB -0.990 37.680 38.487 0.304 0.000 1.033 179 N HN 0.578 nan 8.380 nan 0.000 0.423 180 N N 1.280 119.858 118.700 -0.203 0.000 2.007 180 N HA -0.156 4.583 4.740 -0.001 0.000 0.197 180 N C 1.579 176.740 175.510 -0.583 0.000 1.050 180 N CA 1.228 53.938 53.050 -0.567 0.000 0.856 180 N CB -0.430 37.921 38.487 -0.227 0.000 1.050 180 N HN 0.331 nan 8.380 nan 0.000 0.423 181 E N 0.423 120.544 120.200 -0.130 0.000 2.097 181 E HA -0.173 4.176 4.350 -0.001 0.000 0.196 181 E C 2.113 178.681 176.600 -0.054 0.000 1.000 181 E CA 0.989 57.397 56.400 0.012 0.000 0.804 181 E CB -0.507 29.161 29.700 -0.053 0.000 0.740 181 E HN 0.548 nan 8.360 nan 0.000 0.454 182 Y N 0.192 120.435 120.300 -0.094 0.000 2.097 182 Y HA -0.208 4.341 4.550 -0.002 0.000 0.282 182 Y C 2.583 178.185 175.900 -0.497 0.000 1.152 182 Y CA 1.223 59.296 58.100 -0.045 0.000 1.136 182 Y CB -0.707 37.807 38.460 0.091 0.000 0.975 182 Y HN 0.150 nan 8.280 nan 0.000 0.498 183 G N -0.167 108.041 108.800 -0.987 0.000 2.480 183 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.216 183 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.216 183 G C 1.379 175.973 174.900 -0.510 0.000 1.200 183 G CA 1.158 45.291 45.100 -1.611 0.000 0.782 183 G HN 0.261 nan 8.290 nan 0.000 0.554 184 F N 1.754 121.550 119.950 -0.257 0.000 2.154 184 F HA -0.077 4.449 4.527 -0.002 0.000 0.301 184 F C 2.470 178.272 175.800 0.003 0.000 1.087 184 F CA 1.070 59.083 58.000 0.021 0.000 1.274 184 F CB -0.617 38.407 39.000 0.039 0.000 1.009 184 F HN 0.115 nan 8.300 nan 0.000 0.485 185 D N -1.383 119.128 120.400 0.185 0.000 2.117 185 D HA -0.234 4.405 4.640 -0.001 0.000 0.197 185 D C 2.151 178.500 176.300 0.082 0.000 0.987 185 D CA 1.171 55.252 54.000 0.136 0.000 0.829 185 D CB -0.710 40.208 40.800 0.197 0.000 0.961 185 D HN 0.334 nan 8.370 nan 0.000 0.460 186 Y N 1.212 121.470 120.300 -0.069 0.000 2.224 186 Y HA -0.117 4.432 4.550 -0.002 0.000 0.289 186 Y C 2.180 178.081 175.900 0.002 0.000 1.146 186 Y CA 1.144 59.212 58.100 -0.054 0.000 1.182 186 Y CB -0.291 38.116 38.460 -0.088 0.000 0.983 186 Y HN -0.065 nan 8.280 nan 0.000 0.524 187 L N -0.421 120.839 121.223 0.061 0.000 2.056 187 L HA -0.190 4.149 4.340 -0.001 0.000 0.207 187 L C 2.525 179.358 176.870 -0.061 0.000 1.078 187 L CA 1.362 56.213 54.840 0.019 0.000 0.749 187 L CB -0.416 41.768 42.059 0.208 0.000 0.901 187 L HN 0.148 nan 8.230 nan 0.000 0.433 188 R N -0.314 120.178 120.500 -0.013 0.000 2.148 188 R HA -0.133 4.206 4.340 -0.001 0.000 0.227 188 R C 1.606 177.844 176.300 -0.104 0.000 1.103 188 R CA 1.092 57.160 56.100 -0.052 0.000 0.983 188 R CB -0.278 30.017 30.300 -0.007 0.000 0.874 188 R HN 0.313 nan 8.270 nan 0.000 0.451 189 D N 0.303 120.627 120.400 -0.127 0.000 2.219 189 D HA -0.070 4.570 4.640 -0.001 0.000 0.205 189 D C 1.375 177.560 176.300 -0.192 0.000 0.970 189 D CA 0.803 54.716 54.000 -0.144 0.000 0.851 189 D CB -0.143 40.567 40.800 -0.150 0.000 0.943 189 D HN 0.160 nan 8.370 nan 0.000 0.488 190 N N -0.240 118.303 118.700 -0.261 0.000 2.409 190 N HA -0.037 4.702 4.740 -0.001 0.000 0.179 190 N C 0.763 176.167 175.510 -0.177 0.000 1.032 190 N CA 0.512 53.418 53.050 -0.241 0.000 0.898 190 N CB 0.185 38.494 38.487 -0.296 0.000 0.971 190 N HN 0.160 nan 8.380 nan 0.000 0.441 191 M N 0.730 120.221 119.600 -0.181 0.000 2.723 191 M HA 0.270 4.749 4.480 -0.001 0.000 0.270 191 M C 0.006 176.127 176.300 -0.299 0.000 1.282 191 M CA -0.603 54.576 55.300 -0.202 0.000 0.995 191 M CB -0.678 31.815 32.600 -0.179 0.000 1.430 191 M HN -0.146 nan 8.290 nan 0.000 0.477 192 A N -0.273 122.403 122.820 -0.241 0.000 2.316 192 A HA 0.584 4.904 4.320 -0.001 0.000 0.284 192 A C 0.609 178.068 177.584 -0.208 0.000 1.115 192 A CA -0.462 51.430 52.037 -0.242 0.000 0.812 192 A CB 0.351 19.316 19.000 -0.058 0.000 1.064 192 A HN 0.363 nan 8.150 nan 0.000 0.489 193 F N 1.872 121.805 119.950 -0.029 0.000 2.014 193 F HA -0.028 4.497 4.527 -0.002 0.000 0.295 193 F C 1.628 177.413 175.800 -0.024 0.000 1.145 193 F CA 1.637 59.623 58.000 -0.024 0.000 1.178 193 F CB -0.856 38.133 39.000 -0.019 0.000 0.972 193 F HN 0.537 nan 8.300 nan 0.000 0.476 194 S N -1.052 114.804 115.700 0.260 0.000 2.548 194 S HA 0.449 4.918 4.470 -0.001 0.000 0.286 194 S C -2.315 172.337 174.600 0.086 0.000 1.098 194 S CA -1.562 56.708 58.200 0.117 0.000 0.930 194 S CB 2.087 65.337 63.200 0.083 0.000 1.070 194 S HN -0.243 nan 8.310 nan 0.000 0.480 195 P HA -0.227 nan 4.420 nan 0.000 0.218 195 P C 1.079 178.396 177.300 0.028 0.000 1.154 195 P CA 1.572 64.685 63.100 0.022 0.000 0.872 195 P CB -0.060 31.646 31.700 0.009 0.000 0.790 196 E N -0.810 119.408 120.200 0.030 0.000 2.520 196 E HA -0.142 4.207 4.350 -0.001 0.000 0.201 196 E C 0.957 177.578 176.600 0.034 0.000 1.122 196 E CA 0.842 57.256 56.400 0.023 0.000 0.896 196 E CB -0.580 29.125 29.700 0.009 0.000 0.891 196 E HN 0.356 nan 8.360 nan 0.000 0.533 197 E N 0.743 120.986 120.200 0.072 0.000 2.511 197 E HA 0.147 4.496 4.350 -0.001 0.000 0.209 197 E C 0.159 176.821 176.600 0.104 0.000 0.986 197 E CA -0.114 56.356 56.400 0.117 0.000 0.974 197 E CB 0.505 30.382 29.700 0.295 0.000 1.030 197 E HN 0.228 nan 8.360 nan 0.000 0.490 198 R N 0.637 121.168 120.500 0.053 0.000 2.594 198 R HA 0.077 4.417 4.340 -0.001 0.000 0.272 198 R C 1.583 177.880 176.300 -0.006 0.000 1.074 198 R CA 0.050 56.154 56.100 0.007 0.000 1.105 198 R CB 0.969 31.255 30.300 -0.024 0.000 1.008 198 R HN -0.076 nan 8.270 nan 0.000 0.472 199 V N -0.885 119.004 119.914 -0.042 0.000 3.431 199 V HA 0.073 4.192 4.120 -0.001 0.000 0.253 199 V C 0.622 176.571 176.094 -0.241 0.000 1.184 199 V CA 0.436 62.710 62.300 -0.044 0.000 1.104 199 V CB -0.176 31.673 31.823 0.043 0.000 0.799 199 V HN 0.570 nan 8.190 nan 0.000 0.462 200 Q N 0.666 120.225 119.800 -0.400 0.000 2.171 200 Q HA 0.594 4.933 4.340 -0.001 0.000 0.217 200 Q C -0.535 175.355 176.000 -0.184 0.000 0.995 200 Q CA -0.713 54.730 55.803 -0.600 0.000 0.979 200 Q CB 1.366 29.793 28.738 -0.518 0.000 1.152 200 Q HN 0.433 nan 8.270 nan 0.000 0.525 201 R N 0.169 120.630 120.500 -0.065 0.000 2.923 201 R HA 0.333 4.672 4.340 -0.001 0.000 0.252 201 R C -0.738 175.561 176.300 -0.001 0.000 1.130 201 R CA -1.037 55.074 56.100 0.019 0.000 1.043 201 R CB 1.049 31.405 30.300 0.093 0.000 1.205 201 R HN 0.393 nan 8.270 nan 0.000 0.495 202 K N 1.862 122.258 120.400 -0.007 0.000 2.472 202 K HA 0.017 4.336 4.320 -0.001 0.000 0.280 202 K C -0.457 176.101 176.600 -0.070 0.000 1.028 202 K CA 0.004 56.265 56.287 -0.043 0.000 1.045 202 K CB 0.195 32.674 32.500 -0.035 0.000 0.902 202 K HN 0.377 nan 8.250 nan 0.000 0.478 203 L N 5.537 126.604 121.223 -0.258 0.000 2.584 203 L HA -0.004 4.335 4.340 -0.001 0.000 0.272 203 L C 1.381 178.123 176.870 -0.214 0.000 1.195 203 L CA 0.134 54.616 54.840 -0.597 0.000 0.920 203 L CB 0.127 41.365 42.059 -1.368 0.000 1.173 203 L HN 0.827 nan 8.230 nan 0.000 0.489 204 H N 3.285 122.356 119.070 0.001 0.000 2.570 204 H HA 0.126 4.682 4.556 -0.001 0.000 0.268 204 H C -0.687 174.882 175.328 0.402 0.000 1.175 204 H CA -0.294 55.864 56.048 0.183 0.000 1.686 204 H CB 0.720 30.599 29.762 0.194 0.000 1.456 204 H HN 0.495 nan 8.280 nan 0.000 0.592 205 Y N 1.155 121.511 120.300 0.093 0.000 2.364 205 Y HA 0.562 5.111 4.550 -0.002 0.000 0.340 205 Y C -1.375 174.498 175.900 -0.046 0.000 0.975 205 Y CA -0.837 57.187 58.100 -0.127 0.000 1.089 205 Y CB 1.435 39.665 38.460 -0.383 0.000 1.192 205 Y HN 0.372 nan 8.280 nan 0.000 0.454 206 A N 7.509 129.863 122.820 -0.777 0.000 2.332 206 A HA 0.582 4.901 4.320 -0.001 0.000 0.300 206 A C -1.943 175.035 177.584 -1.010 0.000 1.153 206 A CA -0.682 50.765 52.037 -0.983 0.000 0.764 206 A CB 0.578 18.736 19.000 -1.403 0.000 1.174 206 A HN 0.835 nan 8.150 nan 0.000 0.467 207 L N 4.079 124.765 121.223 -0.894 0.000 2.277 207 L HA 0.440 4.779 4.340 -0.001 0.000 0.284 207 L C -0.898 175.700 176.870 -0.453 0.000 1.028 207 L CA -0.656 53.789 54.840 -0.659 0.000 0.835 207 L CB 1.309 43.074 42.059 -0.490 0.000 1.215 207 L HN 0.484 nan 8.230 nan 0.000 0.425 208 V N 3.124 122.761 119.914 -0.461 0.000 2.385 208 V HA 0.163 4.283 4.120 -0.001 0.000 0.269 208 V C 0.014 175.939 176.094 -0.281 0.000 1.043 208 V CA -0.627 61.421 62.300 -0.419 0.000 0.906 208 V CB 1.309 32.767 31.823 -0.608 0.000 0.995 208 V HN 0.592 nan 8.190 nan 0.000 0.467 209 D N 4.093 124.383 120.400 -0.184 0.000 2.264 209 D HA 0.276 4.915 4.640 -0.001 0.000 0.250 209 D C 0.381 176.607 176.300 -0.123 0.000 1.113 209 D CA -0.073 53.857 54.000 -0.116 0.000 0.871 209 D CB 0.987 41.757 40.800 -0.049 0.000 1.167 209 D HN 0.641 nan 8.370 nan 0.000 0.447 210 E N 1.941 122.077 120.200 -0.107 0.000 2.372 210 E HA -0.158 4.192 4.350 -0.001 0.000 0.254 210 E C 1.147 177.678 176.600 -0.116 0.000 1.102 210 E CA 0.700 57.051 56.400 -0.082 0.000 0.740 210 E CB -1.494 28.171 29.700 -0.058 0.000 1.292 210 E HN 0.325 nan 8.360 nan 0.000 0.394 211 V N -0.333 119.472 119.914 -0.181 0.000 2.277 211 V HA -0.423 3.696 4.120 -0.001 0.000 0.253 211 V C 2.310 178.342 176.094 -0.104 0.000 1.067 211 V CA 2.388 64.520 62.300 -0.279 0.000 1.047 211 V CB -0.716 30.818 31.823 -0.482 0.000 0.649 211 V HN 0.589 nan 8.190 nan 0.000 0.447 212 D N 0.914 121.379 120.400 0.107 0.000 2.104 212 D HA -0.193 4.446 4.640 -0.001 0.000 0.194 212 D C 2.094 178.454 176.300 0.100 0.000 0.994 212 D CA 2.031 56.187 54.000 0.260 0.000 0.830 212 D CB -0.814 40.115 40.800 0.214 0.000 0.959 212 D HN 0.472 nan 8.370 nan 0.000 0.452 213 S N 0.586 116.305 115.700 0.032 0.000 2.359 213 S HA -0.109 4.360 4.470 -0.001 0.000 0.222 213 S C 2.271 176.877 174.600 0.010 0.000 1.038 213 S CA 1.129 59.337 58.200 0.013 0.000 1.051 213 S CB -0.382 62.814 63.200 -0.007 0.000 0.944 213 S HN 0.317 nan 8.310 nan 0.000 0.433 214 I N 1.011 121.555 120.570 -0.044 0.000 2.202 214 I HA -0.122 4.047 4.170 -0.001 0.000 0.242 214 I C 1.733 177.811 176.117 -0.065 0.000 1.091 214 I CA 1.199 62.452 61.300 -0.078 0.000 1.368 214 I CB -0.237 37.634 38.000 -0.215 0.000 1.058 214 I HN 0.218 nan 8.210 nan 0.000 0.410 215 L N -0.281 120.872 121.223 -0.117 0.000 2.567 215 L HA 0.110 4.449 4.340 -0.001 0.000 0.225 215 L C 1.880 178.864 176.870 0.190 0.000 1.119 215 L CA 0.469 55.271 54.840 -0.062 0.000 0.871 215 L CB 0.255 42.038 42.059 -0.458 0.000 1.036 215 L HN 0.276 nan 8.230 nan 0.000 0.459 216 I N -1.161 119.512 120.570 0.171 0.000 3.650 216 I HA -0.024 4.145 4.170 -0.001 0.000 0.261 216 I C 1.611 177.796 176.117 0.115 0.000 1.154 216 I CA 0.226 61.623 61.300 0.163 0.000 1.418 216 I CB 0.284 38.352 38.000 0.113 0.000 1.539 216 I HN 0.038 nan 8.210 nan 0.000 0.449 217 D N 1.350 121.802 120.400 0.088 0.000 2.117 217 D HA -0.159 4.481 4.640 -0.001 0.000 0.198 217 D C 1.859 178.215 176.300 0.093 0.000 0.982 217 D CA 1.142 55.188 54.000 0.077 0.000 0.828 217 D CB -0.238 40.592 40.800 0.050 0.000 0.967 217 D HN 0.244 nan 8.370 nan 0.000 0.464 218 E N 0.869 121.129 120.200 0.101 0.000 2.204 218 E HA -0.041 4.309 4.350 -0.001 0.000 0.194 218 E C 1.163 177.854 176.600 0.152 0.000 0.989 218 E CA 0.268 56.744 56.400 0.127 0.000 0.824 218 E CB -0.249 29.533 29.700 0.137 0.000 0.756 218 E HN 0.148 nan 8.360 nan 0.000 0.477 219 A N 2.170 125.086 122.820 0.160 0.000 2.849 219 A HA -0.042 4.277 4.320 -0.001 0.000 0.246 219 A C 1.023 178.672 177.584 0.109 0.000 1.820 219 A CA 0.231 52.364 52.037 0.160 0.000 1.512 219 A CB -0.461 18.645 19.000 0.177 0.000 0.884 219 A HN -0.067 nan 8.150 nan 0.000 0.626 220 R N 0.476 121.034 120.500 0.098 0.000 2.393 220 R HA 0.072 4.411 4.340 -0.001 0.000 0.244 220 R C 0.329 176.658 176.300 0.048 0.000 0.920 220 R CA 0.908 57.051 56.100 0.072 0.000 1.076 220 R CB -1.067 29.280 30.300 0.079 0.000 1.119 220 R HN 0.967 nan 8.270 nan 0.000 0.524 221 T N -0.839 113.733 114.554 0.030 0.000 0.915 221 T HA -0.099 4.250 4.350 -0.001 0.000 0.734 221 T C -2.760 171.926 174.700 -0.023 0.000 0.985 221 T CA -0.659 61.431 62.100 -0.018 0.000 3.878 221 T CB -1.029 67.835 68.868 -0.008 0.000 2.195 221 T HN 0.033 nan 8.240 nan 0.000 0.387 222 P HA 0.576 nan 4.420 nan 0.000 0.275 222 P C -0.037 177.254 177.300 -0.015 0.000 1.228 222 P CA -0.740 62.349 63.100 -0.017 0.000 0.786 222 P CB 0.566 32.240 31.700 -0.043 0.000 0.927 223 L N 3.538 124.773 121.223 0.021 0.000 2.280 223 L HA 0.435 4.774 4.340 -0.001 0.000 0.287 223 L C 0.190 177.070 176.870 0.017 0.000 1.023 223 L CA -0.610 54.238 54.840 0.013 0.000 0.819 223 L CB 0.637 42.706 42.059 0.017 0.000 1.212 223 L HN 0.235 nan 8.230 nan 0.000 0.420 224 I N 5.376 125.949 120.570 0.006 0.000 2.441 224 I HA 0.364 4.534 4.170 -0.001 0.000 0.287 224 I C 0.205 176.322 176.117 -0.000 0.000 1.049 224 I CA -0.067 61.235 61.300 0.004 0.000 1.381 224 I CB 0.645 38.643 38.000 -0.002 0.000 1.409 224 I HN 0.569 nan 8.210 nan 0.000 0.523 373 A N 2.320 125.137 122.820 -0.006 0.000 2.587 373 A HA 0.876 5.195 4.320 -0.001 0.000 0.293 373 A C -1.176 176.401 177.584 -0.012 0.000 1.087 373 A CA -0.438 51.593 52.037 -0.009 0.000 0.692 373 A CB 2.214 21.207 19.000 -0.011 0.000 1.291 373 A HN 0.607 nan 8.150 nan 0.000 0.407 374 S N 0.623 116.313 115.700 -0.017 0.000 2.733 374 S HA 0.739 5.208 4.470 -0.001 0.000 0.294 374 S C -0.700 173.878 174.600 -0.037 0.000 1.149 374 S CA -0.378 57.807 58.200 -0.024 0.000 1.034 374 S CB 0.022 63.214 63.200 -0.012 0.000 1.015 374 S HN 1.501 nan 8.310 nan 0.000 0.486 375 I N 1.226 121.754 120.570 -0.070 0.000 3.191 375 I HA 0.812 4.981 4.170 -0.001 0.000 0.313 375 I C -1.143 174.886 176.117 -0.146 0.000 1.193 375 I CA -0.910 60.337 61.300 -0.089 0.000 0.968 375 I CB 2.272 40.212 38.000 -0.099 0.000 1.262 375 I HN 0.448 nan 8.210 nan 0.000 0.456 376 T N 0.997 115.481 114.554 -0.116 0.000 2.893 376 T HA 0.479 4.828 4.350 -0.001 0.000 0.293 376 T C -0.201 174.483 174.700 -0.026 0.000 1.027 376 T CA -0.246 61.796 62.100 -0.096 0.000 0.988 376 T CB 1.544 70.424 68.868 0.020 0.000 1.043 376 T HN 0.447 nan 8.240 nan 0.000 0.461 377 F N 1.343 121.358 119.950 0.109 0.000 2.769 377 F HA 0.138 4.664 4.527 -0.002 0.000 0.304 377 F C 2.387 178.355 175.800 0.279 0.000 1.158 377 F CA -0.234 57.857 58.000 0.152 0.000 1.398 377 F CB -0.375 38.690 39.000 0.107 0.000 1.094 377 F HN 0.666 nan 8.300 nan 0.000 0.553 378 Q N 0.891 120.918 119.800 0.378 0.000 2.084 378 Q HA -0.242 4.098 4.340 -0.001 0.000 0.202 378 Q C 1.200 177.409 176.000 0.349 0.000 0.978 378 Q CA 2.171 58.202 55.803 0.379 0.000 0.844 378 Q CB -0.189 28.659 28.738 0.183 0.000 0.898 378 Q HN 0.432 nan 8.270 nan 0.000 0.426 379 N N -0.585 118.249 118.700 0.224 0.000 2.457 379 N HA -0.101 4.638 4.740 -0.001 0.000 0.180 379 N C 1.269 176.865 175.510 0.144 0.000 1.050 379 N CA 0.514 53.654 53.050 0.149 0.000 0.906 379 N CB -0.161 38.380 38.487 0.090 0.000 0.968 379 N HN 0.272 nan 8.380 nan 0.000 0.445 380 Y N 0.746 121.086 120.300 0.067 0.000 2.207 380 Y HA -0.180 4.369 4.550 -0.002 0.000 0.287 380 Y C 1.003 176.724 175.900 -0.298 0.000 1.156 380 Y CA 1.456 59.433 58.100 -0.205 0.000 1.182 380 Y CB -0.410 37.874 38.460 -0.294 0.000 0.979 380 Y HN 0.025 nan 8.280 nan 0.000 0.521 381 F N -0.319 119.551 119.950 -0.133 0.000 2.811 381 F HA 0.126 4.652 4.527 -0.001 0.000 0.301 381 F C 2.007 177.783 175.800 -0.039 0.000 1.151 381 F CA 0.471 58.348 58.000 -0.204 0.000 1.412 381 F CB -0.111 38.759 39.000 -0.216 0.000 1.113 381 F HN -0.108 nan 8.300 nan 0.000 0.579 382 R N -0.166 120.409 120.500 0.124 0.000 2.297 382 R HA 0.131 4.470 4.340 -0.001 0.000 0.197 382 R C 1.549 177.845 176.300 -0.006 0.000 0.943 382 R CA 0.365 56.523 56.100 0.096 0.000 1.038 382 R CB -0.040 30.307 30.300 0.078 0.000 0.957 382 R HN 0.360 nan 8.270 nan 0.000 0.484 383 L N -0.420 120.726 121.223 -0.129 0.000 2.509 383 L HA 0.084 4.423 4.340 -0.001 0.000 0.222 383 L C 0.169 176.888 176.870 -0.252 0.000 1.123 383 L CA 0.083 54.792 54.840 -0.219 0.000 0.856 383 L CB -0.108 41.712 42.059 -0.398 0.000 0.985 383 L HN 0.063 nan 8.230 nan 0.000 0.456 384 Y N 0.840 120.981 120.300 -0.265 0.000 2.346 384 Y HA -0.060 4.490 4.550 -0.001 0.000 0.330 384 Y C 1.642 177.501 175.900 -0.068 0.000 1.178 384 Y CA 0.236 58.221 58.100 -0.191 0.000 1.331 384 Y CB 0.719 39.047 38.460 -0.221 0.000 1.253 384 Y HN -0.011 nan 8.280 nan 0.000 0.529 385 E N 2.225 122.496 120.200 0.118 0.000 2.051 385 E HA -0.156 4.193 4.350 -0.001 0.000 0.192 385 E C -0.280 176.393 176.600 0.123 0.000 0.991 385 E CA 1.201 57.678 56.400 0.128 0.000 0.799 385 E CB 0.210 30.050 29.700 0.233 0.000 0.748 385 E HN 0.505 nan 8.360 nan 0.000 0.449 386 K N 0.950 121.436 120.400 0.144 0.000 2.358 386 K HA 0.373 4.692 4.320 -0.001 0.000 0.260 386 K C -1.020 175.641 176.600 0.102 0.000 0.956 386 K CA -0.400 55.970 56.287 0.138 0.000 0.834 386 K CB 2.140 34.738 32.500 0.164 0.000 1.102 386 K HN 0.067 nan 8.250 nan 0.000 0.431 387 L N 2.678 123.912 121.223 0.018 0.000 2.349 387 L HA 0.729 5.069 4.340 -0.001 0.000 0.278 387 L C -1.437 175.336 176.870 -0.162 0.000 0.996 387 L CA -0.327 54.429 54.840 -0.140 0.000 0.825 387 L CB 1.529 43.530 42.059 -0.096 0.000 1.243 387 L HN 0.858 nan 8.230 nan 0.000 0.412 388 A N 3.272 125.917 122.820 -0.291 0.000 2.515 388 A HA 0.908 5.227 4.320 -0.001 0.000 0.298 388 A C -0.736 176.634 177.584 -0.356 0.000 1.059 388 A CA -0.128 51.766 52.037 -0.238 0.000 0.698 388 A CB 1.970 20.938 19.000 -0.054 0.000 1.289 388 A HN 0.819 nan 8.150 nan 0.000 0.404 389 G N 0.068 108.669 108.800 -0.331 0.000 2.642 389 G HA2 0.762 4.722 3.960 -0.001 0.000 0.293 389 G HA3 0.762 4.722 3.960 -0.001 0.000 0.293 389 G C -0.745 174.006 174.900 -0.247 0.000 1.341 389 G CA -0.379 44.506 45.100 -0.359 0.000 0.916 389 G HN 1.501 nan 8.290 nan 0.000 0.474 390 M N -0.290 119.187 119.600 -0.205 0.000 2.433 390 M HA 0.851 5.330 4.480 -0.001 0.000 0.290 390 M C -1.010 175.233 176.300 -0.095 0.000 1.173 390 M CA -0.717 54.511 55.300 -0.120 0.000 0.905 390 M CB 2.427 34.982 32.600 -0.076 0.000 1.692 390 M HN 0.777 nan 8.290 nan 0.000 0.462 391 T N 0.085 114.610 114.554 -0.047 0.000 2.775 391 T HA 0.576 4.925 4.350 -0.001 0.000 0.320 391 T C 0.041 174.747 174.700 0.009 0.000 1.597 391 T CA 0.103 62.193 62.100 -0.017 0.000 1.022 391 T CB 1.561 70.433 68.868 0.005 0.000 1.485 391 T HN 1.011 nan 8.240 nan 0.000 0.494 392 G N 1.084 109.892 108.800 0.014 0.000 3.284 392 G HA2 0.427 4.386 3.960 -0.001 0.000 0.236 392 G HA3 0.427 4.386 3.960 -0.001 0.000 0.236 392 G C 0.116 175.034 174.900 0.030 0.000 1.158 392 G CA 0.432 45.544 45.100 0.021 0.000 0.774 392 G HN 1.226 nan 8.290 nan 0.000 0.545 393 T N -3.980 110.600 114.554 0.043 0.000 3.578 393 T HA 0.630 4.979 4.350 -0.001 0.000 0.329 393 T C -0.059 174.695 174.700 0.089 0.000 0.913 393 T CA 0.148 62.277 62.100 0.049 0.000 1.029 393 T CB 1.233 70.120 68.868 0.032 0.000 1.045 393 T HN 0.436 nan 8.240 nan 0.000 0.460 394 A N 2.066 124.950 122.820 0.108 0.000 2.189 394 A HA 0.327 4.647 4.320 -0.001 0.000 0.177 394 A C 1.479 179.128 177.584 0.108 0.000 1.745 394 A CA 0.421 52.584 52.037 0.209 0.000 1.284 394 A CB -0.122 19.090 19.000 0.353 0.000 1.508 394 A HN 0.658 nan 8.150 nan 0.000 0.440 395 D N 1.050 121.496 120.400 0.076 0.000 2.158 395 D HA -0.125 4.514 4.640 -0.001 0.000 0.197 395 D C 1.774 178.080 176.300 0.010 0.000 0.995 395 D CA 2.131 56.161 54.000 0.050 0.000 0.846 395 D CB -0.010 40.814 40.800 0.039 0.000 0.941 395 D HN 0.431 nan 8.370 nan 0.000 0.456 396 T N 0.437 114.982 114.554 -0.015 0.000 2.496 396 T HA -0.154 4.195 4.350 -0.001 0.000 0.254 396 T C 0.759 175.413 174.700 -0.077 0.000 1.161 396 T CA 1.043 63.120 62.100 -0.038 0.000 1.231 396 T CB -0.515 68.328 68.868 -0.042 0.000 0.866 396 T HN 0.089 nan 8.240 nan 0.000 0.396 397 E N 1.392 121.492 120.200 -0.166 0.000 2.222 397 E HA 0.430 4.780 4.350 -0.001 0.000 0.312 397 E C 0.749 177.079 176.600 -0.450 0.000 1.263 397 E CA -0.095 56.137 56.400 -0.280 0.000 1.356 397 E CB -0.291 29.177 29.700 -0.387 0.000 1.180 397 E HN 0.488 nan 8.360 nan 0.000 0.494 398 A N 0.922 123.654 122.820 -0.146 0.000 2.147 398 A HA 0.015 4.334 4.320 -0.001 0.000 0.211 398 A C 1.515 179.154 177.584 0.092 0.000 1.160 398 A CA 0.041 52.074 52.037 -0.007 0.000 0.781 398 A CB -0.133 18.918 19.000 0.085 0.000 0.842 398 A HN 0.518 nan 8.150 nan 0.000 0.475 399 F N 0.723 120.632 119.950 -0.068 0.000 2.270 399 F HA 0.085 4.612 4.527 -0.001 0.000 0.295 399 F C 1.968 177.767 175.800 -0.001 0.000 1.087 399 F CA 1.485 59.476 58.000 -0.015 0.000 1.365 399 F CB 0.017 39.003 39.000 -0.024 0.000 1.056 399 F HN 0.365 nan 8.300 nan 0.000 0.506 400 E N -0.359 119.779 120.200 -0.103 0.000 2.204 400 E HA -0.200 4.149 4.350 -0.001 0.000 0.194 400 E C 2.231 178.838 176.600 0.011 0.000 0.989 400 E CA 1.004 57.324 56.400 -0.132 0.000 0.824 400 E CB -0.430 29.220 29.700 -0.084 0.000 0.756 400 E HN 0.542 nan 8.360 nan 0.000 0.477 401 F N 0.560 120.516 119.950 0.010 0.000 2.216 401 F HA -0.178 4.349 4.527 -0.001 0.000 0.300 401 F C 2.673 178.507 175.800 0.055 0.000 1.085 401 F CA 0.907 58.955 58.000 0.079 0.000 1.326 401 F CB 0.107 39.120 39.000 0.021 0.000 1.027 401 F HN 0.184 nan 8.300 nan 0.000 0.497 402 S N -1.225 114.537 115.700 0.104 0.000 2.486 402 S HA -0.069 4.400 4.470 -0.001 0.000 0.220 402 S C 1.660 176.175 174.600 -0.143 0.000 1.011 402 S CA 0.413 58.605 58.200 -0.012 0.000 0.921 402 S CB -0.399 62.778 63.200 -0.038 0.000 0.785 402 S HN 0.272 nan 8.310 nan 0.000 0.517 403 S N 1.149 116.669 115.700 -0.300 0.000 2.607 403 S HA 0.274 4.743 4.470 -0.001 0.000 0.224 403 S C 1.308 175.790 174.600 -0.196 0.000 0.969 403 S CA 0.295 58.297 58.200 -0.329 0.000 0.927 403 S CB -0.652 62.238 63.200 -0.516 0.000 0.772 403 S HN 0.673 nan 8.310 nan 0.000 0.533 404 I N -2.150 118.317 120.570 -0.172 0.000 3.990 404 I HA 0.243 4.412 4.170 -0.001 0.000 0.275 404 I C 0.991 176.878 176.117 -0.384 0.000 1.157 404 I CA -0.050 61.053 61.300 -0.328 0.000 1.338 404 I CB 0.106 37.774 38.000 -0.554 0.000 1.588 404 I HN 0.107 nan 8.210 nan 0.000 0.441 405 Y N 1.630 121.932 120.300 0.004 0.000 2.467 405 Y HA 0.319 4.868 4.550 -0.002 0.000 0.250 405 Y C 0.136 176.023 175.900 -0.022 0.000 1.155 405 Y CA -0.790 57.306 58.100 -0.007 0.000 1.249 405 Y CB 0.320 38.765 38.460 -0.025 0.000 1.146 405 Y HN -0.120 nan 8.280 nan 0.000 0.524 406 K N 1.208 121.663 120.400 0.091 0.000 3.689 406 K HA -0.176 4.144 4.320 -0.001 0.000 0.276 406 K C -1.182 175.454 176.600 0.060 0.000 0.932 406 K CA 0.602 56.917 56.287 0.047 0.000 0.758 406 K CB -1.745 30.770 32.500 0.024 0.000 1.500 406 K HN 0.434 nan 8.250 nan 0.000 0.448 407 L N 1.285 122.554 121.223 0.077 0.000 2.356 407 L HA 0.324 4.663 4.340 -0.001 0.000 0.277 407 L C 0.225 177.127 176.870 0.054 0.000 0.996 407 L CA -0.907 53.948 54.840 0.025 0.000 0.822 407 L CB 1.646 43.660 42.059 -0.074 0.000 1.256 407 L HN -0.004 nan 8.230 nan 0.000 0.413 408 D N 1.525 121.945 120.400 0.033 0.000 2.225 408 D HA 0.250 4.889 4.640 -0.001 0.000 0.248 408 D C -0.218 176.114 176.300 0.054 0.000 1.096 408 D CA -0.050 53.983 54.000 0.056 0.000 0.863 408 D CB 1.798 42.623 40.800 0.043 0.000 1.156 408 D HN 0.342 nan 8.370 nan 0.000 0.450 409 T N 1.581 116.194 114.554 0.099 0.000 2.780 409 T HA 0.368 4.717 4.350 -0.001 0.000 0.294 409 T C 0.068 174.811 174.700 0.071 0.000 0.949 409 T CA -0.503 61.659 62.100 0.105 0.000 1.074 409 T CB 0.862 69.842 68.868 0.186 0.000 0.910 409 T HN -0.024 nan 8.240 nan 0.000 0.501 410 V N 4.377 124.321 119.914 0.050 0.000 2.378 410 V HA 0.283 4.402 4.120 -0.001 0.000 0.288 410 V C 0.047 176.166 176.094 0.042 0.000 1.016 410 V CA -0.926 61.399 62.300 0.042 0.000 0.840 410 V CB 1.773 33.615 31.823 0.032 0.000 0.994 410 V HN 0.718 nan 8.190 nan 0.000 0.431 411 V N 6.182 126.121 119.914 0.042 0.000 2.356 411 V HA 0.181 4.300 4.120 -0.001 0.000 0.258 411 V C 0.386 176.500 176.094 0.033 0.000 1.065 411 V CA -0.304 62.019 62.300 0.039 0.000 0.935 411 V CB 0.895 32.740 31.823 0.037 0.000 1.061 411 V HN 0.633 nan 8.190 nan 0.000 0.484 412 V N 8.429 128.363 119.914 0.033 0.000 2.715 412 V HA 0.217 4.336 4.120 -0.001 0.000 0.299 412 V C -1.381 174.730 176.094 0.028 0.000 1.054 412 V CA -1.082 61.239 62.300 0.034 0.000 1.077 412 V CB 1.027 32.875 31.823 0.041 0.000 0.972 412 V HN 0.722 nan 8.190 nan 0.000 0.484 413 P HA 0.241 nan 4.420 nan 0.000 0.277 413 P C -0.259 177.046 177.300 0.008 0.000 1.240 413 P CA -0.275 62.833 63.100 0.015 0.000 0.798 413 P CB 0.698 32.406 31.700 0.012 0.000 0.979 414 T N -1.887 112.665 114.554 -0.004 0.000 2.828 414 T HA 0.081 4.430 4.350 -0.001 0.000 0.290 414 T C 1.255 175.923 174.700 -0.052 0.000 1.019 414 T CA -0.425 61.663 62.100 -0.020 0.000 1.031 414 T CB 0.462 69.317 68.868 -0.021 0.000 1.001 414 T HN 0.459 nan 8.240 nan 0.000 0.531 415 N N 0.576 119.212 118.700 -0.106 0.000 2.051 415 N HA -0.089 4.650 4.740 -0.001 0.000 0.192 415 N C 0.198 175.607 175.510 -0.169 0.000 1.049 415 N CA 0.572 53.498 53.050 -0.208 0.000 0.845 415 N CB 0.142 38.342 38.487 -0.478 0.000 1.031 415 N HN 0.409 nan 8.380 nan 0.000 0.425 416 R N 1.270 121.680 120.500 -0.149 0.000 2.604 416 R HA 0.385 4.724 4.340 -0.001 0.000 0.287 416 R C -2.350 173.918 176.300 -0.054 0.000 0.970 416 R CA -2.014 54.029 56.100 -0.096 0.000 0.946 416 R CB 0.783 31.030 30.300 -0.088 0.000 1.127 416 R HN 0.288 nan 8.270 nan 0.000 0.473 417 P HA -0.040 nan 4.420 nan 0.000 0.262 417 P C -0.114 177.178 177.300 -0.013 0.000 1.182 417 P CA 0.022 63.111 63.100 -0.020 0.000 0.761 417 P CB 0.584 32.276 31.700 -0.014 0.000 0.795 418 M N 5.821 125.417 119.600 -0.007 0.000 2.383 418 M HA 0.100 4.579 4.480 -0.001 0.000 0.337 418 M C 0.947 177.249 176.300 0.005 0.000 1.422 418 M CA -0.317 54.983 55.300 0.000 0.000 1.333 418 M CB -0.781 31.822 32.600 0.004 0.000 1.488 418 M HN 0.342 nan 8.290 nan 0.000 0.454 419 I N 1.231 121.804 120.570 0.006 0.000 3.904 419 I HA 0.257 4.426 4.170 -0.001 0.000 0.333 419 I C 0.766 176.891 176.117 0.013 0.000 1.361 419 I CA -0.426 60.879 61.300 0.008 0.000 1.116 419 I CB -0.228 37.775 38.000 0.005 0.000 1.028 419 I HN 0.525 nan 8.210 nan 0.000 0.398 420 R N 3.245 123.755 120.500 0.016 0.000 2.623 420 R HA 0.164 4.504 4.340 -0.001 0.000 0.271 420 R C -0.596 175.720 176.300 0.027 0.000 1.043 420 R CA 0.021 56.134 56.100 0.022 0.000 1.083 420 R CB 0.663 30.976 30.300 0.023 0.000 0.974 420 R HN 0.298 nan 8.270 nan 0.000 0.436 421 K N 3.679 124.100 120.400 0.035 0.000 2.292 421 K HA 0.162 4.481 4.320 -0.001 0.000 0.270 421 K C -1.209 175.420 176.600 0.049 0.000 1.062 421 K CA -0.623 55.688 56.287 0.039 0.000 0.916 421 K CB 1.290 33.813 32.500 0.039 0.000 1.166 421 K HN 0.497 nan 8.250 nan 0.000 0.458 422 D N 4.380 124.807 120.400 0.045 0.000 2.393 422 D HA 0.091 4.731 4.640 -0.001 0.000 0.232 422 D C 0.270 176.603 176.300 0.055 0.000 1.192 422 D CA -0.297 53.736 54.000 0.056 0.000 0.882 422 D CB 0.773 41.610 40.800 0.062 0.000 1.038 422 D HN 0.083 nan 8.370 nan 0.000 0.499 423 L N 3.125 124.383 121.223 0.059 0.000 2.453 423 L HA 0.321 4.660 4.340 -0.001 0.000 0.261 423 L C -1.786 175.110 176.870 0.043 0.000 1.179 423 L CA -1.842 53.027 54.840 0.049 0.000 0.813 423 L CB -0.737 41.356 42.059 0.056 0.000 1.110 423 L HN 0.052 nan 8.230 nan 0.000 0.466 424 P HA 0.040 nan 4.420 nan 0.000 0.267 424 P C -0.889 176.426 177.300 0.024 0.000 1.200 424 P CA -0.229 62.887 63.100 0.026 0.000 0.772 424 P CB 0.394 32.106 31.700 0.019 0.000 0.855 425 D N 2.183 122.602 120.400 0.033 0.000 2.390 425 D HA 0.094 4.733 4.640 -0.001 0.000 0.249 425 D C 0.055 176.388 176.300 0.055 0.000 1.144 425 D CA 0.331 54.358 54.000 0.047 0.000 0.880 425 D CB 0.463 41.295 40.800 0.053 0.000 1.182 425 D HN 0.229 nan 8.370 nan 0.000 0.451 426 L N 2.298 123.577 121.223 0.094 0.000 2.257 426 L HA 0.268 4.607 4.340 -0.001 0.000 0.290 426 L C -0.019 177.016 176.870 0.274 0.000 1.044 426 L CA -0.867 54.078 54.840 0.174 0.000 0.810 426 L CB 1.444 43.726 42.059 0.372 0.000 1.193 426 L HN -0.002 nan 8.230 nan 0.000 0.425 427 V N 3.845 123.809 119.914 0.083 0.000 2.481 427 V HA 0.360 4.480 4.120 -0.001 0.000 0.286 427 V C -0.521 175.565 176.094 -0.013 0.000 1.042 427 V CA -0.363 62.016 62.300 0.131 0.000 0.928 427 V CB 1.278 33.135 31.823 0.057 0.000 0.986 427 V HN 0.394 nan 8.190 nan 0.000 0.462 428 Y N 2.908 123.257 120.300 0.082 0.000 2.598 428 Y HA 0.483 5.032 4.550 -0.001 0.000 0.340 428 Y C 0.896 176.822 175.900 0.044 0.000 1.038 428 Y CA -1.188 56.949 58.100 0.061 0.000 1.100 428 Y CB 1.623 40.121 38.460 0.063 0.000 1.281 428 Y HN 0.388 nan 8.280 nan 0.000 0.488 429 M N -0.106 119.599 119.600 0.176 0.000 2.216 429 M HA 0.032 4.511 4.480 -0.001 0.000 0.264 429 M C 0.758 177.118 176.300 0.101 0.000 1.080 429 M CA 0.998 56.360 55.300 0.104 0.000 1.153 429 M CB -1.068 31.572 32.600 0.066 0.000 1.356 429 M HN 0.768 nan 8.290 nan 0.000 0.432 430 T N -2.121 112.498 114.554 0.110 0.000 2.950 430 T HA 0.327 4.676 4.350 -0.001 0.000 0.288 430 T C 0.963 175.697 174.700 0.057 0.000 1.035 430 T CA -0.729 61.413 62.100 0.070 0.000 1.028 430 T CB 2.189 71.086 68.868 0.049 0.000 1.109 430 T HN 0.071 nan 8.240 nan 0.000 0.514 431 E N 0.659 120.875 120.200 0.027 0.000 2.150 431 E HA -0.062 4.288 4.350 -0.001 0.000 0.193 431 E C 2.324 178.902 176.600 -0.038 0.000 0.985 431 E CA 1.374 57.774 56.400 -0.001 0.000 0.814 431 E CB -0.745 28.956 29.700 0.001 0.000 0.752 431 E HN 0.814 nan 8.360 nan 0.000 0.466 432 A N 1.520 124.326 122.820 -0.023 0.000 1.898 432 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 432 A C 2.033 179.580 177.584 -0.062 0.000 1.181 432 A CA 1.333 53.346 52.037 -0.040 0.000 0.620 432 A CB -0.421 18.568 19.000 -0.017 0.000 0.819 432 A HN 0.187 nan 8.150 nan 0.000 0.442 433 E N -0.330 119.861 120.200 -0.015 0.000 2.160 433 E HA -0.208 4.141 4.350 -0.001 0.000 0.195 433 E C 2.013 178.447 176.600 -0.277 0.000 0.991 433 E CA 1.331 57.747 56.400 0.026 0.000 0.810 433 E CB -0.077 29.765 29.700 0.237 0.000 0.742 433 E HN 0.668 nan 8.360 nan 0.000 0.466 434 K N 1.409 121.598 120.400 -0.352 0.000 1.979 434 K HA -0.129 4.190 4.320 -0.001 0.000 0.213 434 K C 2.368 178.662 176.600 -0.510 0.000 1.036 434 K CA 1.373 57.284 56.287 -0.626 0.000 0.954 434 K CB -0.349 31.993 32.500 -0.263 0.000 0.743 434 K HN 0.149 nan 8.250 nan 0.000 0.443 435 I N -0.527 119.870 120.570 -0.289 0.000 2.462 435 I HA -0.310 3.860 4.170 -0.001 0.000 0.259 435 I C 1.835 177.806 176.117 -0.243 0.000 1.156 435 I CA 1.527 62.685 61.300 -0.235 0.000 1.417 435 I CB -0.373 37.543 38.000 -0.141 0.000 1.088 435 I HN 0.279 nan 8.210 nan 0.000 0.442 436 Q N 1.287 120.945 119.800 -0.236 0.000 2.212 436 Q HA 0.190 4.529 4.340 -0.001 0.000 0.199 436 Q C 2.351 178.224 176.000 -0.212 0.000 0.950 436 Q CA 1.771 57.467 55.803 -0.178 0.000 0.863 436 Q CB -0.200 28.473 28.738 -0.109 0.000 0.944 436 Q HN 0.683 nan 8.270 nan 0.000 0.465 437 A N 0.291 122.912 122.820 -0.332 0.000 2.067 437 A HA -0.027 4.292 4.320 -0.001 0.000 0.217 437 A C 1.862 179.190 177.584 -0.426 0.000 1.156 437 A CA 1.042 52.895 52.037 -0.308 0.000 0.683 437 A CB -0.695 18.087 19.000 -0.362 0.000 0.808 437 A HN 0.543 nan 8.150 nan 0.000 0.455 438 I N -1.914 118.314 120.570 -0.571 0.000 2.494 438 I HA 0.009 4.178 4.170 -0.001 0.000 0.250 438 I C 2.136 178.107 176.117 -0.244 0.000 1.112 438 I CA 1.035 62.012 61.300 -0.538 0.000 1.438 438 I CB -0.414 37.224 38.000 -0.603 0.000 1.111 438 I HN 0.288 nan 8.210 nan 0.000 0.431 439 I N 0.158 120.603 120.570 -0.207 0.000 2.614 439 I HA -0.121 4.048 4.170 -0.001 0.000 0.258 439 I C 2.292 178.349 176.117 -0.101 0.000 1.189 439 I CA 1.552 62.771 61.300 -0.135 0.000 1.462 439 I CB -0.598 37.324 38.000 -0.129 0.000 1.092 439 I HN 0.260 nan 8.210 nan 0.000 0.442 440 E N 1.830 121.963 120.200 -0.111 0.000 2.158 440 E HA -0.227 4.122 4.350 -0.001 0.000 0.191 440 E C 1.728 178.296 176.600 -0.053 0.000 0.982 440 E CA 1.442 57.800 56.400 -0.071 0.000 0.823 440 E CB -0.065 29.597 29.700 -0.062 0.000 0.766 440 E HN 0.589 nan 8.360 nan 0.000 0.468 441 D N -0.127 120.233 120.400 -0.066 0.000 2.120 441 D HA -0.107 4.532 4.640 -0.001 0.000 0.202 441 D C 2.057 178.346 176.300 -0.018 0.000 0.972 441 D CA 1.733 55.717 54.000 -0.026 0.000 0.837 441 D CB -0.189 40.623 40.800 0.020 0.000 0.989 441 D HN 0.419 nan 8.370 nan 0.000 0.469 442 I N -1.367 119.196 120.570 -0.011 0.000 2.252 442 I HA -0.132 4.038 4.170 -0.001 0.000 0.245 442 I C 2.204 178.318 176.117 -0.005 0.000 1.102 442 I CA 1.128 62.434 61.300 0.010 0.000 1.385 442 I CB -0.490 37.517 38.000 0.012 0.000 1.064 442 I HN -0.121 nan 8.210 nan 0.000 0.414 443 K N 1.598 121.986 120.400 -0.021 0.000 2.103 443 K HA -0.240 4.079 4.320 -0.001 0.000 0.207 443 K C 2.025 178.617 176.600 -0.014 0.000 1.048 443 K CA 1.960 58.236 56.287 -0.018 0.000 0.930 443 K CB -0.286 32.197 32.500 -0.028 0.000 0.716 443 K HN 0.670 nan 8.250 nan 0.000 0.444 444 E N 0.340 120.529 120.200 -0.019 0.000 1.999 444 E HA -0.204 4.145 4.350 -0.001 0.000 0.194 444 E C 1.862 178.450 176.600 -0.021 0.000 0.995 444 E CA 1.185 57.573 56.400 -0.020 0.000 0.825 444 E CB -0.121 29.564 29.700 -0.025 0.000 0.777 444 E HN 0.277 nan 8.360 nan 0.000 0.459 445 R N 0.155 120.636 120.500 -0.032 0.000 2.185 445 R HA -0.138 4.202 4.340 -0.001 0.000 0.247 445 R C 2.441 178.735 176.300 -0.011 0.000 1.159 445 R CA 1.617 57.695 56.100 -0.036 0.000 0.988 445 R CB -0.733 29.528 30.300 -0.065 0.000 0.871 445 R HN 0.274 nan 8.270 nan 0.000 0.458 446 T N 1.399 115.954 114.554 0.002 0.000 2.607 446 T HA -0.233 4.116 4.350 -0.001 0.000 0.267 446 T C 2.087 176.794 174.700 0.011 0.000 1.049 446 T CA 1.879 63.989 62.100 0.016 0.000 1.162 446 T CB -0.395 68.484 68.868 0.017 0.000 0.863 446 T HN 0.485 nan 8.240 nan 0.000 0.424 447 A N 1.501 124.323 122.820 0.003 0.000 1.948 447 A HA -0.191 4.128 4.320 -0.001 0.000 0.220 447 A C 2.180 179.762 177.584 -0.003 0.000 1.177 447 A CA 1.959 53.997 52.037 0.002 0.000 0.636 447 A CB -0.567 18.431 19.000 -0.003 0.000 0.815 447 A HN 0.537 nan 8.150 nan 0.000 0.449 448 K N -1.732 118.662 120.400 -0.010 0.000 2.281 448 K HA 0.035 4.354 4.320 -0.001 0.000 0.203 448 K C 1.124 177.714 176.600 -0.016 0.000 1.046 448 K CA 0.658 56.935 56.287 -0.016 0.000 0.938 448 K CB -0.280 32.204 32.500 -0.026 0.000 0.737 448 K HN 0.828 nan 8.250 nan 0.000 0.458 449 G N 1.541 110.337 108.800 -0.006 0.000 2.130 449 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.216 449 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.216 449 G C -0.355 174.538 174.900 -0.010 0.000 0.999 449 G CA -0.011 45.086 45.100 -0.005 0.000 0.686 449 G HN 0.377 nan 8.290 nan 0.000 0.515 450 Q N 0.844 120.643 119.800 -0.001 0.000 2.316 450 Q HA 0.607 4.946 4.340 -0.001 0.000 0.264 450 Q C -2.485 173.536 176.000 0.036 0.000 0.987 450 Q CA -2.372 53.434 55.803 0.004 0.000 0.852 450 Q CB 2.711 31.445 28.738 -0.006 0.000 1.287 450 Q HN 0.248 nan 8.270 nan 0.000 0.448 451 P HA 0.102 nan 4.420 nan 0.000 0.274 451 P C -1.242 176.112 177.300 0.089 0.000 1.237 451 P CA -0.323 62.821 63.100 0.075 0.000 0.793 451 P CB 1.411 33.159 31.700 0.080 0.000 0.977 452 V N 3.771 123.739 119.914 0.090 0.000 2.697 452 V HA 0.400 4.519 4.120 -0.001 0.000 0.300 452 V C -1.269 174.861 176.094 0.061 0.000 1.115 452 V CA -0.856 61.504 62.300 0.100 0.000 0.912 452 V CB 1.503 33.417 31.823 0.151 0.000 1.024 452 V HN 0.449 nan 8.190 nan 0.000 0.431 453 L N 6.730 127.966 121.223 0.023 0.000 2.322 453 L HA 0.833 5.173 4.340 -0.001 0.000 0.279 453 L C -0.834 176.020 176.870 -0.026 0.000 1.036 453 L CA -0.411 54.432 54.840 0.006 0.000 0.807 453 L CB 1.912 43.970 42.059 -0.001 0.000 1.226 453 L HN 0.600 nan 8.230 nan 0.000 0.433 454 V N 3.115 123.024 119.914 -0.009 0.000 2.628 454 V HA 0.716 4.835 4.120 -0.001 0.000 0.306 454 V C 0.334 176.418 176.094 -0.017 0.000 1.045 454 V CA -0.462 61.824 62.300 -0.023 0.000 0.905 454 V CB 1.679 33.502 31.823 0.000 0.000 0.997 454 V HN 0.881 nan 8.190 nan 0.000 0.436 455 G N 1.468 110.248 108.800 -0.034 0.000 2.452 455 G HA2 0.710 4.670 3.960 -0.001 0.000 0.324 455 G HA3 0.710 4.670 3.960 -0.001 0.000 0.324 455 G C -0.443 174.476 174.900 0.033 0.000 1.214 455 G CA -0.281 44.820 45.100 0.001 0.000 0.947 455 G HN 0.841 nan 8.290 nan 0.000 0.478 456 T N -0.550 114.037 114.554 0.055 0.000 2.916 456 T HA 0.464 4.813 4.350 -0.001 0.000 0.292 456 T C 1.558 176.315 174.700 0.094 0.000 1.055 456 T CA -0.451 61.691 62.100 0.071 0.000 1.009 456 T CB 1.568 70.470 68.868 0.056 0.000 1.118 456 T HN 0.706 nan 8.240 nan 0.000 0.497 457 I N 0.083 120.719 120.570 0.110 0.000 2.286 457 I HA 0.176 4.346 4.170 -0.001 0.000 0.245 457 I C 0.847 177.031 176.117 0.113 0.000 1.104 457 I CA 0.271 61.654 61.300 0.139 0.000 1.397 457 I CB -0.438 37.648 38.000 0.144 0.000 1.072 457 I HN 0.729 nan 8.210 nan 0.000 0.417 458 S N -0.551 115.200 115.700 0.086 0.000 2.638 458 S HA 0.511 4.980 4.470 -0.001 0.000 0.274 458 S C 0.461 175.096 174.600 0.059 0.000 1.157 458 S CA -0.826 57.418 58.200 0.073 0.000 0.826 458 S CB 1.531 64.771 63.200 0.068 0.000 1.139 458 S HN 0.172 nan 8.310 nan 0.000 0.474 459 I N 1.315 121.917 120.570 0.054 0.000 2.315 459 I HA -0.198 3.971 4.170 -0.001 0.000 0.251 459 I C 2.356 178.497 176.117 0.041 0.000 1.125 459 I CA 1.298 62.626 61.300 0.046 0.000 1.392 459 I CB -0.519 37.507 38.000 0.043 0.000 1.065 459 I HN 0.670 nan 8.210 nan 0.000 0.424 460 E N 1.668 121.892 120.200 0.040 0.000 2.019 460 E HA -0.244 4.105 4.350 -0.001 0.000 0.208 460 E C 2.045 178.663 176.600 0.031 0.000 1.030 460 E CA 1.480 57.901 56.400 0.034 0.000 0.856 460 E CB -0.587 29.134 29.700 0.034 0.000 0.781 460 E HN 0.460 nan 8.360 nan 0.000 0.471 461 K N 0.822 121.243 120.400 0.034 0.000 2.209 461 K HA -0.022 4.297 4.320 -0.001 0.000 0.204 461 K C 2.235 178.852 176.600 0.028 0.000 1.048 461 K CA 0.677 56.981 56.287 0.029 0.000 0.940 461 K CB -0.607 31.915 32.500 0.037 0.000 0.729 461 K HN 0.021 nan 8.250 nan 0.000 0.451 462 S N 1.255 116.977 115.700 0.037 0.000 2.368 462 S HA -0.131 4.338 4.470 -0.001 0.000 0.225 462 S C 1.688 176.312 174.600 0.041 0.000 1.030 462 S CA 1.093 59.317 58.200 0.041 0.000 0.999 462 S CB 0.084 63.311 63.200 0.046 0.000 0.844 462 S HN 0.252 nan 8.310 nan 0.000 0.459 463 E N 1.475 121.696 120.200 0.036 0.000 2.047 463 E HA -0.074 4.275 4.350 -0.001 0.000 0.191 463 E C 2.239 178.855 176.600 0.027 0.000 0.987 463 E CA 0.956 57.377 56.400 0.036 0.000 0.799 463 E CB -0.770 28.946 29.700 0.028 0.000 0.752 463 E HN 0.528 nan 8.360 nan 0.000 0.449 464 L N 0.766 121.998 121.223 0.015 0.000 1.990 464 L HA -0.185 4.154 4.340 -0.001 0.000 0.213 464 L C 2.608 179.468 176.870 -0.017 0.000 1.072 464 L CA 1.172 56.012 54.840 0.000 0.000 0.755 464 L CB -0.994 41.065 42.059 -0.000 0.000 0.889 464 L HN -0.041 nan 8.230 nan 0.000 0.432 465 V N -0.828 119.074 119.914 -0.020 0.000 2.759 465 V HA -0.237 3.882 4.120 -0.001 0.000 0.256 465 V C 2.711 178.752 176.094 -0.088 0.000 1.080 465 V CA 1.777 64.045 62.300 -0.053 0.000 1.101 465 V CB -0.286 31.513 31.823 -0.040 0.000 0.698 465 V HN 0.486 nan 8.190 nan 0.000 0.477 466 S N 0.595 116.281 115.700 -0.024 0.000 2.368 466 S HA -0.169 4.300 4.470 -0.001 0.000 0.224 466 S C 1.908 176.477 174.600 -0.051 0.000 1.029 466 S CA 1.604 59.822 58.200 0.030 0.000 0.988 466 S CB -0.303 63.036 63.200 0.231 0.000 0.838 466 S HN 0.685 nan 8.310 nan 0.000 0.462 467 N N 1.177 119.869 118.700 -0.012 0.000 2.135 467 N HA -0.019 4.720 4.740 -0.001 0.000 0.186 467 N C 1.609 177.079 175.510 -0.067 0.000 1.027 467 N CA 1.036 54.078 53.050 -0.014 0.000 0.849 467 N CB -0.517 37.970 38.487 0.000 0.000 1.002 467 N HN 0.447 nan 8.380 nan 0.000 0.425 468 E N 1.225 121.376 120.200 -0.081 0.000 2.267 468 E HA -0.116 4.233 4.350 -0.001 0.000 0.197 468 E C 1.980 178.500 176.600 -0.133 0.000 0.998 468 E CA 0.294 56.640 56.400 -0.091 0.000 0.830 468 E CB -0.133 29.515 29.700 -0.086 0.000 0.751 468 E HN 0.380 nan 8.360 nan 0.000 0.491 469 L N 0.112 121.204 121.223 -0.217 0.000 2.249 469 L HA -0.034 4.306 4.340 -0.001 0.000 0.207 469 L C 2.396 179.100 176.870 -0.277 0.000 1.090 469 L CA 1.092 55.752 54.840 -0.300 0.000 0.802 469 L CB 0.044 41.807 42.059 -0.492 0.000 0.947 469 L HN 0.061 nan 8.230 nan 0.000 0.453 470 T N -1.100 113.310 114.554 -0.240 0.000 3.043 470 T HA -0.163 4.186 4.350 -0.001 0.000 0.263 470 T C 1.837 176.522 174.700 -0.025 0.000 1.094 470 T CA 1.036 63.110 62.100 -0.044 0.000 1.127 470 T CB 0.063 69.008 68.868 0.128 0.000 0.905 470 T HN 0.225 nan 8.240 nan 0.000 0.490 471 K N 0.451 120.823 120.400 -0.047 0.000 2.148 471 K HA 0.151 4.470 4.320 -0.001 0.000 0.204 471 K C 1.780 178.359 176.600 -0.035 0.000 1.050 471 K CA 1.054 57.321 56.287 -0.033 0.000 0.942 471 K CB -0.244 32.233 32.500 -0.037 0.000 0.724 471 K HN 0.310 nan 8.250 nan 0.000 0.446 472 A N 0.597 123.387 122.820 -0.050 0.000 2.327 472 A HA 0.253 4.572 4.320 -0.001 0.000 0.228 472 A C 0.641 178.207 177.584 -0.030 0.000 1.275 472 A CA 0.421 52.432 52.037 -0.043 0.000 0.875 472 A CB -0.570 18.395 19.000 -0.058 0.000 0.925 472 A HN 0.443 nan 8.150 nan 0.000 0.493 473 G N 0.050 108.837 108.800 -0.021 0.000 2.370 473 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.295 473 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.295 473 G C -0.325 174.575 174.900 -0.000 0.000 1.045 473 G CA 0.442 45.539 45.100 -0.006 0.000 1.199 473 G HN 0.683 nan 8.290 nan 0.000 0.513 474 I N -0.090 120.484 120.570 0.007 0.000 2.497 474 I HA 0.266 4.435 4.170 -0.001 0.000 0.284 474 I C -0.232 175.947 176.117 0.104 0.000 1.060 474 I CA -1.199 60.116 61.300 0.024 0.000 1.071 474 I CB 1.966 39.954 38.000 -0.019 0.000 1.216 474 I HN -0.095 nan 8.210 nan 0.000 0.442 475 K N 6.714 127.171 120.400 0.095 0.000 2.294 475 K HA 0.171 4.490 4.320 -0.001 0.000 0.288 475 K C 0.053 176.738 176.600 0.141 0.000 1.072 475 K CA 0.024 56.377 56.287 0.110 0.000 0.960 475 K CB -0.284 32.238 32.500 0.037 0.000 1.043 475 K HN 0.473 nan 8.250 nan 0.000 0.455 476 H N 0.243 119.305 119.070 -0.013 0.000 3.065 476 H HA 0.549 5.104 4.556 -0.001 0.000 0.279 476 H C -0.611 174.708 175.328 -0.015 0.000 1.594 476 H CA -0.973 55.069 56.048 -0.010 0.000 1.547 476 H CB 1.041 30.797 29.762 -0.010 0.000 1.771 476 H HN 0.261 nan 8.280 nan 0.000 0.871 477 N N -0.892 117.730 118.700 -0.130 0.000 2.357 477 N HA 0.439 5.178 4.740 -0.001 0.000 0.284 477 N C -1.694 173.756 175.510 -0.099 0.000 1.236 477 N CA -0.469 52.468 53.050 -0.188 0.000 0.774 477 N CB 3.074 41.516 38.487 -0.076 0.000 1.534 477 N HN 0.401 nan 8.380 nan 0.000 0.478 478 V N 2.334 122.183 119.914 -0.109 0.000 2.686 478 V HA 0.560 4.680 4.120 -0.001 0.000 0.306 478 V C -0.688 175.388 176.094 -0.030 0.000 1.065 478 V CA -0.686 61.595 62.300 -0.032 0.000 0.894 478 V CB 2.047 33.857 31.823 -0.021 0.000 1.004 478 V HN 0.433 nan 8.190 nan 0.000 0.424 479 L N 4.399 125.623 121.223 0.002 0.000 2.381 479 L HA 0.647 4.987 4.340 -0.001 0.000 0.274 479 L C 0.140 177.027 176.870 0.029 0.000 0.988 479 L CA -0.504 54.342 54.840 0.010 0.000 0.824 479 L CB 1.981 44.052 42.059 0.020 0.000 1.263 479 L HN 0.611 nan 8.230 nan 0.000 0.410 480 N N 2.872 121.591 118.700 0.031 0.000 2.282 480 N HA 0.200 4.939 4.740 -0.001 0.000 0.240 480 N C 0.709 176.247 175.510 0.045 0.000 1.182 480 N CA 0.392 53.467 53.050 0.042 0.000 0.874 480 N CB 1.623 40.133 38.487 0.038 0.000 1.126 480 N HN 0.801 nan 8.380 nan 0.000 0.516 481 A N 0.676 123.526 122.820 0.051 0.000 2.832 481 A HA -0.289 4.030 4.320 -0.001 0.000 0.280 481 A C 1.264 178.733 177.584 -0.192 0.000 1.464 481 A CA 1.392 53.460 52.037 0.052 0.000 0.804 481 A CB -2.012 17.093 19.000 0.174 0.000 1.020 481 A HN 0.420 nan 8.150 nan 0.000 0.563 482 K N -1.750 118.567 120.400 -0.138 0.000 2.216 482 K HA 0.287 4.606 4.320 -0.001 0.000 0.207 482 K C -0.194 176.245 176.600 -0.269 0.000 1.041 482 K CA 0.959 57.177 56.287 -0.115 0.000 0.966 482 K CB 0.254 32.863 32.500 0.181 0.000 0.955 482 K HN 0.437 nan 8.250 nan 0.000 0.468 483 F N 2.430 122.217 119.950 -0.273 0.000 2.395 483 F HA 0.197 4.723 4.527 -0.001 0.000 0.347 483 F C 1.115 176.778 175.800 -0.229 0.000 1.157 483 F CA -0.602 57.268 58.000 -0.217 0.000 1.272 483 F CB 0.078 39.000 39.000 -0.130 0.000 1.607 483 F HN 0.112 nan 8.300 nan 0.000 0.571 484 H N 1.219 120.262 119.070 -0.044 0.000 2.321 484 H HA -0.243 4.313 4.556 -0.001 0.000 0.295 484 H C 2.215 177.251 175.328 -0.487 0.000 1.102 484 H CA 1.583 57.511 56.048 -0.199 0.000 1.266 484 H CB -0.463 29.227 29.762 -0.120 0.000 1.363 484 H HN 0.523 nan 8.280 nan 0.000 0.492 485 A N 1.854 124.500 122.820 -0.290 0.000 1.869 485 A HA -0.264 4.055 4.320 -0.001 0.000 0.218 485 A C 2.406 179.864 177.584 -0.210 0.000 1.203 485 A CA 2.104 53.936 52.037 -0.342 0.000 0.638 485 A CB -0.488 18.502 19.000 -0.017 0.000 0.831 485 A HN 0.456 nan 8.150 nan 0.000 0.450 486 N N -0.251 118.422 118.700 -0.046 0.000 2.080 486 N HA -0.139 4.600 4.740 -0.001 0.000 0.189 486 N C 1.687 177.156 175.510 -0.067 0.000 1.036 486 N CA 1.601 54.631 53.050 -0.034 0.000 0.846 486 N CB -0.636 37.848 38.487 -0.005 0.000 1.015 486 N HN 0.674 nan 8.380 nan 0.000 0.423 487 E N 1.302 121.471 120.200 -0.052 0.000 2.086 487 E HA -0.213 4.137 4.350 -0.001 0.000 0.200 487 E C 2.006 178.564 176.600 -0.069 0.000 1.012 487 E CA 1.459 57.832 56.400 -0.045 0.000 0.812 487 E CB -0.198 29.500 29.700 -0.003 0.000 0.743 487 E HN 0.377 nan 8.360 nan 0.000 0.453 488 A N 1.491 124.220 122.820 -0.152 0.000 1.908 488 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 488 A C 2.444 179.988 177.584 -0.067 0.000 1.181 488 A CA 1.933 53.882 52.037 -0.146 0.000 0.627 488 A CB -0.809 17.968 19.000 -0.371 0.000 0.818 488 A HN 0.322 nan 8.150 nan 0.000 0.445 489 A N -0.227 122.550 122.820 -0.072 0.000 1.940 489 A HA -0.109 4.210 4.320 -0.001 0.000 0.219 489 A C 2.135 179.705 177.584 -0.023 0.000 1.176 489 A CA 1.645 53.661 52.037 -0.034 0.000 0.631 489 A CB -0.570 18.410 19.000 -0.033 0.000 0.814 489 A HN 0.532 nan 8.150 nan 0.000 0.446 490 I N -0.464 120.088 120.570 -0.030 0.000 2.286 490 I HA -0.155 4.014 4.170 -0.001 0.000 0.245 490 I C 2.218 178.336 176.117 0.002 0.000 1.104 490 I CA 0.910 62.199 61.300 -0.019 0.000 1.397 490 I CB -0.310 37.670 38.000 -0.033 0.000 1.072 490 I HN 0.137 nan 8.210 nan 0.000 0.417 491 V N 1.347 121.261 119.914 0.001 0.000 2.490 491 V HA -0.237 3.882 4.120 -0.001 0.000 0.250 491 V C 2.599 178.712 176.094 0.031 0.000 1.061 491 V CA 1.732 64.043 62.300 0.018 0.000 1.064 491 V CB -1.089 30.743 31.823 0.016 0.000 0.670 491 V HN 0.486 nan 8.190 nan 0.000 0.461 492 A N -1.222 121.611 122.820 0.022 0.000 2.216 492 A HA -0.106 4.213 4.320 -0.001 0.000 0.214 492 A C 1.945 179.564 177.584 0.058 0.000 1.160 492 A CA 1.020 53.072 52.037 0.026 0.000 0.725 492 A CB -0.171 18.829 19.000 -0.001 0.000 0.784 492 A HN 0.509 nan 8.150 nan 0.000 0.472 493 Q N -1.815 118.030 119.800 0.074 0.000 2.149 493 Q HA 0.336 4.675 4.340 -0.001 0.000 0.221 493 Q C 1.315 177.407 176.000 0.154 0.000 0.807 493 Q CA 0.638 56.520 55.803 0.133 0.000 1.000 493 Q CB 0.293 29.092 28.738 0.102 0.000 1.157 493 Q HN 0.555 nan 8.270 nan 0.000 0.487 494 A N 0.145 123.031 122.820 0.110 0.000 2.255 494 A HA 0.154 4.473 4.320 -0.001 0.000 0.206 494 A C 1.626 179.288 177.584 0.129 0.000 1.193 494 A CA 1.099 53.198 52.037 0.104 0.000 0.794 494 A CB -0.326 18.715 19.000 0.068 0.000 0.794 494 A HN 0.277 nan 8.150 nan 0.000 0.481 495 G N -2.255 106.643 108.800 0.163 0.000 3.088 495 G HA2 0.223 4.182 3.960 -0.001 0.000 0.217 495 G HA3 0.223 4.182 3.960 -0.001 0.000 0.217 495 G C 0.134 175.129 174.900 0.159 0.000 1.159 495 G CA -0.299 44.892 45.100 0.152 0.000 0.760 495 G HN 0.421 nan 8.290 nan 0.000 0.550 496 Y N 2.352 122.710 120.300 0.098 0.000 2.442 496 Y HA 0.151 4.700 4.550 -0.001 0.000 0.330 496 Y C -0.498 175.433 175.900 0.051 0.000 1.129 496 Y CA -1.730 56.423 58.100 0.089 0.000 1.365 496 Y CB 1.433 39.943 38.460 0.084 0.000 1.233 496 Y HN 0.008 nan 8.280 nan 0.000 0.529 497 P HA -0.306 nan 4.420 nan 0.000 0.222 497 P C -0.418 176.937 177.300 0.092 0.000 1.154 497 P CA 2.109 65.202 63.100 -0.011 0.000 0.874 497 P CB 0.109 31.754 31.700 -0.092 0.000 0.787 498 A N -0.506 122.438 122.820 0.207 0.000 2.664 498 A HA 0.658 4.977 4.320 -0.001 0.000 0.338 498 A C -0.240 177.441 177.584 0.162 0.000 1.280 498 A CA -0.097 52.032 52.037 0.154 0.000 0.809 498 A CB 0.409 19.494 19.000 0.141 0.000 1.114 498 A HN 0.246 nan 8.150 nan 0.000 0.479 499 A N 1.393 124.291 122.820 0.130 0.000 2.459 499 A HA 0.712 5.032 4.320 -0.001 0.000 0.296 499 A C -1.320 176.318 177.584 0.089 0.000 1.039 499 A CA -0.408 51.697 52.037 0.113 0.000 0.698 499 A CB 1.569 20.659 19.000 0.151 0.000 1.261 499 A HN 1.004 nan 8.150 nan 0.000 0.405 500 V N 2.072 122.034 119.914 0.079 0.000 2.525 500 V HA 0.715 4.834 4.120 -0.001 0.000 0.299 500 V C -0.373 175.772 176.094 0.086 0.000 1.034 500 V CA -0.268 62.083 62.300 0.084 0.000 0.863 500 V CB 2.024 33.904 31.823 0.095 0.000 0.999 500 V HN 0.992 nan 8.190 nan 0.000 0.423 501 T N 5.877 120.475 114.554 0.073 0.000 2.893 501 T HA 0.675 5.024 4.350 -0.001 0.000 0.293 501 T C -0.567 174.171 174.700 0.065 0.000 1.027 501 T CA -0.339 61.798 62.100 0.062 0.000 0.988 501 T CB 1.812 70.705 68.868 0.041 0.000 1.043 501 T HN 0.384 nan 8.240 nan 0.000 0.461 502 I N 2.497 123.113 120.570 0.077 0.000 2.382 502 I HA 0.629 4.798 4.170 -0.001 0.000 0.285 502 I C 0.118 176.265 176.117 0.050 0.000 1.007 502 I CA -0.755 60.587 61.300 0.071 0.000 1.142 502 I CB 1.181 39.250 38.000 0.115 0.000 1.289 502 I HN 0.713 nan 8.210 nan 0.000 0.453 503 A N 4.844 127.687 122.820 0.038 0.000 2.330 503 A HA 0.878 5.197 4.320 -0.001 0.000 0.329 503 A C -0.022 177.589 177.584 0.044 0.000 1.135 503 A CA -0.407 51.653 52.037 0.038 0.000 0.817 503 A CB 1.308 20.328 19.000 0.033 0.000 1.269 503 A HN 0.586 nan 8.150 nan 0.000 0.469 504 T N 0.203 114.788 114.554 0.052 0.000 2.888 504 T HA 0.176 4.526 4.350 -0.001 0.000 0.283 504 T C 1.605 176.341 174.700 0.060 0.000 1.013 504 T CA -0.519 61.616 62.100 0.059 0.000 0.938 504 T CB 0.330 69.236 68.868 0.063 0.000 1.298 504 T HN 0.671 nan 8.240 nan 0.000 0.580 505 N N 0.475 119.214 118.700 0.065 0.000 2.023 505 N HA -0.135 4.604 4.740 -0.001 0.000 0.200 505 N C 0.647 176.184 175.510 0.045 0.000 1.048 505 N CA 1.798 54.879 53.050 0.052 0.000 0.872 505 N CB -0.261 38.259 38.487 0.054 0.000 1.070 505 N HN 0.442 nan 8.380 nan 0.000 0.441 506 M N -0.107 119.532 119.600 0.065 0.000 3.170 506 M HA 0.370 4.849 4.480 -0.001 0.000 0.263 506 M C 0.735 177.103 176.300 0.113 0.000 1.153 506 M CA -0.361 54.982 55.300 0.071 0.000 0.949 506 M CB 1.501 34.146 32.600 0.075 0.000 1.291 506 M HN 0.029 nan 8.290 nan 0.000 0.550 507 A N 0.897 123.772 122.820 0.091 0.000 1.819 507 A HA 0.293 4.613 4.320 -0.001 0.000 0.215 507 A C 1.745 179.395 177.584 0.111 0.000 1.226 507 A CA 1.423 53.521 52.037 0.101 0.000 0.608 507 A CB -0.975 18.064 19.000 0.065 0.000 0.877 507 A HN 0.625 nan 8.150 nan 0.000 0.452 508 G N -0.009 108.830 108.800 0.064 0.000 4.222 508 G HA2 0.382 4.341 3.960 -0.001 0.000 0.301 508 G HA3 0.382 4.341 3.960 -0.001 0.000 0.301 508 G C 0.252 175.174 174.900 0.036 0.000 1.171 508 G CA -0.253 44.875 45.100 0.047 0.000 0.937 508 G HN 0.714 nan 8.290 nan 0.000 0.557 509 R N -0.289 120.230 120.500 0.030 0.000 2.538 509 R HA 0.423 4.762 4.340 -0.001 0.000 0.282 509 R C 1.019 177.331 176.300 0.019 0.000 1.009 509 R CA 0.675 56.785 56.100 0.016 0.000 1.063 509 R CB 0.413 30.715 30.300 0.003 0.000 0.945 509 R HN 0.456 nan 8.270 nan 0.000 0.414 510 G N 1.992 110.803 108.800 0.019 0.000 2.278 510 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.210 510 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.210 510 G C -0.096 174.821 174.900 0.029 0.000 1.000 510 G CA 0.041 45.153 45.100 0.020 0.000 0.635 510 G HN 0.660 nan 8.290 nan 0.000 0.495 511 T N 1.665 116.244 114.554 0.042 0.000 2.733 511 T HA 0.485 4.834 4.350 -0.001 0.000 0.294 511 T C -0.390 174.320 174.700 0.017 0.000 0.956 511 T CA 0.164 62.285 62.100 0.035 0.000 0.987 511 T CB 1.617 70.512 68.868 0.046 0.000 0.920 511 T HN 0.385 nan 8.240 nan 0.000 0.470 512 D N 3.340 123.741 120.400 0.002 0.000 2.401 512 D HA 0.072 4.712 4.640 -0.001 0.000 0.254 512 D C -0.129 176.186 176.300 0.025 0.000 1.192 512 D CA -0.218 53.787 54.000 0.009 0.000 0.885 512 D CB 0.328 41.125 40.800 -0.005 0.000 1.147 512 D HN 0.429 nan 8.370 nan 0.000 0.478 513 I N 4.964 125.560 120.570 0.045 0.000 2.256 513 I HA 0.108 4.277 4.170 -0.001 0.000 0.294 513 I C -0.149 176.030 176.117 0.105 0.000 1.127 513 I CA -0.893 60.448 61.300 0.068 0.000 1.247 513 I CB 0.680 38.717 38.000 0.062 0.000 1.460 513 I HN 0.164 nan 8.210 nan 0.000 0.511 514 V N 7.097 127.092 119.914 0.135 0.000 2.572 514 V HA 0.056 4.175 4.120 -0.001 0.000 0.291 514 V C 0.706 176.984 176.094 0.306 0.000 1.039 514 V CA -0.436 62.007 62.300 0.239 0.000 1.055 514 V CB 0.884 32.861 31.823 0.256 0.000 0.969 514 V HN 0.494 nan 8.190 nan 0.000 0.482 515 L N 5.119 126.519 121.223 0.295 0.000 2.562 515 L HA 0.348 4.688 4.340 -0.001 0.000 0.271 515 L C 1.355 178.345 176.870 0.200 0.000 1.167 515 L CA 1.040 55.961 54.840 0.135 0.000 0.917 515 L CB -0.185 41.810 42.059 -0.107 0.000 1.187 515 L HN 1.071 nan 8.230 nan 0.000 0.482 516 G N 2.001 110.855 108.800 0.089 0.000 2.159 516 G HA2 0.028 3.988 3.960 -0.001 0.000 0.227 516 G HA3 0.028 3.988 3.960 -0.001 0.000 0.227 516 G C 0.462 175.491 174.900 0.216 0.000 0.986 516 G CA -0.119 44.961 45.100 -0.033 0.000 0.651 516 G HN 1.403 nan 8.290 nan 0.000 0.523 517 G N -1.555 107.488 108.800 0.404 0.000 2.707 517 G HA2 0.369 4.328 3.960 -0.001 0.000 0.686 517 G HA3 0.369 4.328 3.960 -0.001 0.000 0.686 517 G C -0.262 174.899 174.900 0.436 0.000 1.315 517 G CA 0.486 45.870 45.100 0.474 0.000 0.832 517 G HN 1.848 nan 8.290 nan 0.000 0.573 518 S N 0.710 116.532 115.700 0.203 0.000 2.520 518 S HA 0.524 4.993 4.470 -0.001 0.000 0.324 518 S C 1.322 175.858 174.600 -0.108 0.000 1.069 518 S CA 0.244 58.393 58.200 -0.086 0.000 1.121 518 S CB -0.041 63.084 63.200 -0.126 0.000 0.971 518 S HN 1.228 nan 8.310 nan 0.000 0.463 519 W N 4.122 125.234 121.300 -0.314 0.000 2.465 519 W HA -0.061 4.598 4.660 -0.001 0.000 0.268 519 W C 0.666 177.109 176.519 -0.126 0.000 1.242 519 W CA 0.391 57.635 57.345 -0.168 0.000 1.248 519 W CB -0.960 28.369 29.460 -0.218 0.000 1.118 519 W HN 0.603 nan 8.180 nan 0.000 0.587 520 Q N 1.654 120.976 119.800 -0.797 0.000 2.170 520 Q HA -0.059 4.280 4.340 -0.001 0.000 0.203 520 Q C 2.705 178.542 176.000 -0.271 0.000 0.976 520 Q CA 2.888 58.301 55.803 -0.650 0.000 0.858 520 Q CB -0.859 27.415 28.738 -0.773 0.000 0.907 520 Q HN 0.343 nan 8.270 nan 0.000 0.433 521 A N 0.135 122.839 122.820 -0.194 0.000 2.066 521 A HA -0.150 4.169 4.320 -0.001 0.000 0.218 521 A C 1.751 179.320 177.584 -0.024 0.000 1.157 521 A CA 1.064 53.049 52.037 -0.086 0.000 0.670 521 A CB -0.175 18.792 19.000 -0.055 0.000 0.804 521 A HN 0.333 nan 8.150 nan 0.000 0.453 522 E N -0.304 119.904 120.200 0.014 0.000 2.076 522 E HA -0.098 4.251 4.350 -0.001 0.000 0.190 522 E C 2.131 178.774 176.600 0.072 0.000 0.979 522 E CA 1.343 57.789 56.400 0.077 0.000 0.807 522 E CB -0.159 29.639 29.700 0.164 0.000 0.761 522 E HN 0.585 nan 8.360 nan 0.000 0.454 523 V N -1.044 118.914 119.914 0.074 0.000 2.453 523 V HA 0.026 4.145 4.120 -0.001 0.000 0.247 523 V C 2.101 178.210 176.094 0.025 0.000 1.048 523 V CA 1.497 63.842 62.300 0.074 0.000 1.049 523 V CB -0.555 31.337 31.823 0.115 0.000 0.672 523 V HN 0.159 nan 8.190 nan 0.000 0.457 524 A N 0.268 123.080 122.820 -0.013 0.000 2.239 524 A HA 0.606 4.925 4.320 -0.001 0.000 0.209 524 A C 1.738 179.319 177.584 -0.004 0.000 1.171 524 A CA 0.898 52.924 52.037 -0.019 0.000 0.768 524 A CB -0.635 18.336 19.000 -0.047 0.000 0.790 524 A HN 1.120 nan 8.150 nan 0.000 0.478 525 A N -0.165 122.660 122.820 0.009 0.000 3.041 525 A HA 0.638 4.957 4.320 -0.001 0.000 0.307 525 A C -0.276 177.321 177.584 0.022 0.000 1.116 525 A CA -0.173 51.872 52.037 0.013 0.000 1.001 525 A CB -0.263 18.746 19.000 0.014 0.000 1.112 525 A HN 0.539 nan 8.150 nan 0.000 0.556 526 L N -0.315 120.921 121.223 0.022 0.000 2.680 526 L HA 0.283 4.623 4.340 -0.001 0.000 0.260 526 L C 0.538 177.421 176.870 0.021 0.000 0.975 526 L CA -0.291 54.564 54.840 0.025 0.000 0.920 526 L CB 1.273 43.354 42.059 0.036 0.000 1.234 526 L HN 0.501 nan 8.230 nan 0.000 0.429 527 E N 1.452 121.663 120.200 0.017 0.000 2.339 527 E HA -0.221 4.128 4.350 -0.001 0.000 0.201 527 E C 0.204 176.814 176.600 0.017 0.000 1.015 527 E CA 1.010 57.419 56.400 0.015 0.000 0.841 527 E CB 0.031 29.739 29.700 0.013 0.000 0.754 527 E HN 0.451 nan 8.360 nan 0.000 0.508 528 N N 0.971 119.683 118.700 0.020 0.000 2.817 528 N HA 0.071 4.810 4.740 -0.001 0.000 0.234 528 N C -2.580 172.946 175.510 0.026 0.000 1.066 528 N CA -2.041 51.022 53.050 0.021 0.000 0.926 528 N CB 0.831 39.330 38.487 0.021 0.000 1.176 528 N HN -0.189 nan 8.380 nan 0.000 0.506 529 P HA 0.123 nan 4.420 nan 0.000 0.252 529 P C -0.961 176.358 177.300 0.032 0.000 1.727 529 P CA -0.070 63.049 63.100 0.032 0.000 1.134 529 P CB 0.052 31.768 31.700 0.027 0.000 1.876 530 T N 1.808 116.382 114.554 0.034 0.000 2.823 530 T HA 0.371 4.720 4.350 -0.001 0.000 0.279 530 T C 1.488 176.208 174.700 0.035 0.000 0.998 530 T CA -0.326 61.792 62.100 0.030 0.000 0.994 530 T CB 1.753 70.636 68.868 0.025 0.000 0.960 530 T HN 0.155 nan 8.240 nan 0.000 0.448 531 A N 2.055 124.893 122.820 0.031 0.000 2.272 531 A HA -0.059 4.260 4.320 -0.001 0.000 0.213 531 A C 1.871 179.469 177.584 0.023 0.000 1.183 531 A CA 1.281 53.336 52.037 0.030 0.000 0.719 531 A CB -0.432 18.582 19.000 0.024 0.000 0.771 531 A HN 0.745 nan 8.150 nan 0.000 0.484 532 E N -0.361 119.853 120.200 0.023 0.000 2.045 532 E HA -0.053 4.296 4.350 -0.001 0.000 0.190 532 E C 2.191 178.804 176.600 0.022 0.000 0.968 532 E CA 1.302 57.713 56.400 0.019 0.000 0.813 532 E CB -0.344 29.366 29.700 0.017 0.000 0.780 532 E HN 0.634 nan 8.360 nan 0.000 0.455 533 Q N 0.538 120.357 119.800 0.031 0.000 2.124 533 Q HA -0.085 4.254 4.340 -0.001 0.000 0.202 533 Q C 2.324 178.352 176.000 0.047 0.000 0.977 533 Q CA 1.443 57.269 55.803 0.038 0.000 0.850 533 Q CB -0.641 28.124 28.738 0.044 0.000 0.901 533 Q HN 0.540 nan 8.270 nan 0.000 0.429 534 I N -1.214 119.389 120.570 0.055 0.000 2.248 534 I HA -0.250 3.919 4.170 -0.001 0.000 0.248 534 I C 1.521 177.644 176.117 0.010 0.000 1.107 534 I CA 1.494 62.836 61.300 0.071 0.000 1.373 534 I CB -0.344 37.713 38.000 0.095 0.000 1.055 534 I HN 0.005 nan 8.210 nan 0.000 0.418 535 E N 1.680 121.877 120.200 -0.005 0.000 2.110 535 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 535 E C 1.699 178.281 176.600 -0.030 0.000 0.988 535 E CA 1.198 57.577 56.400 -0.035 0.000 0.804 535 E CB -0.242 29.446 29.700 -0.020 0.000 0.745 535 E HN 0.416 nan 8.360 nan 0.000 0.458 536 K N 0.440 120.840 120.400 0.001 0.000 2.589 536 K HA 0.069 4.388 4.320 -0.001 0.000 0.204 536 K C 0.929 177.551 176.600 0.036 0.000 1.029 536 K CA 0.147 56.442 56.287 0.013 0.000 1.177 536 K CB 0.062 32.576 32.500 0.023 0.000 0.902 536 K HN 0.012 nan 8.250 nan 0.000 0.501 537 I N -1.301 119.285 120.570 0.027 0.000 4.399 537 I HA 0.031 4.201 4.170 -0.001 0.000 0.301 537 I C 1.532 177.643 176.117 -0.010 0.000 1.198 537 I CA 0.099 61.448 61.300 0.081 0.000 1.315 537 I CB -0.269 37.820 38.000 0.149 0.000 1.452 537 I HN 0.038 nan 8.210 nan 0.000 0.457 538 K N 2.060 122.324 120.400 -0.227 0.000 2.365 538 K HA 0.108 4.428 4.320 -0.001 0.000 0.199 538 K C 1.512 177.952 176.600 -0.266 0.000 1.045 538 K CA 1.153 57.057 56.287 -0.640 0.000 0.962 538 K CB 0.433 32.464 32.500 -0.782 0.000 0.759 538 K HN 0.308 nan 8.250 nan 0.000 0.469 539 A N -0.295 122.455 122.820 -0.117 0.000 2.192 539 A HA 0.032 4.351 4.320 -0.001 0.000 0.208 539 A C 1.736 179.299 177.584 -0.036 0.000 1.220 539 A CA 0.230 52.226 52.037 -0.069 0.000 0.900 539 A CB 0.110 19.072 19.000 -0.063 0.000 0.937 539 A HN 0.174 nan 8.150 nan 0.000 0.487 540 D N -0.910 119.494 120.400 0.007 0.000 2.120 540 D HA -0.142 4.497 4.640 -0.001 0.000 0.202 540 D C 1.657 177.982 176.300 0.042 0.000 0.972 540 D CA 1.279 55.297 54.000 0.030 0.000 0.837 540 D CB -0.161 40.682 40.800 0.072 0.000 0.989 540 D HN 0.597 nan 8.370 nan 0.000 0.469 541 W N 2.099 123.358 121.300 -0.068 0.000 2.335 541 W HA -0.237 4.422 4.660 -0.001 0.000 0.311 541 W C 2.300 178.790 176.519 -0.048 0.000 1.213 541 W CA 1.930 59.255 57.345 -0.034 0.000 1.274 541 W CB -0.638 28.817 29.460 -0.008 0.000 1.148 541 W HN -0.056 nan 8.180 nan 0.000 0.498 542 Q N 0.731 120.348 119.800 -0.304 0.000 2.268 542 Q HA -0.222 4.118 4.340 -0.001 0.000 0.210 542 Q C 1.772 177.501 176.000 -0.452 0.000 0.988 542 Q CA 2.902 58.359 55.803 -0.578 0.000 0.883 542 Q CB -0.649 27.963 28.738 -0.210 0.000 0.911 542 Q HN 0.337 nan 8.270 nan 0.000 0.430 543 V N -0.084 119.652 119.914 -0.298 0.000 2.283 543 V HA -0.200 3.919 4.120 -0.001 0.000 0.243 543 V C 2.271 178.207 176.094 -0.264 0.000 1.039 543 V CA 2.085 64.257 62.300 -0.214 0.000 1.016 543 V CB -0.528 31.216 31.823 -0.131 0.000 0.650 543 V HN 0.336 nan 8.190 nan 0.000 0.449 544 R N -0.772 119.537 120.500 -0.318 0.000 2.103 544 R HA -0.213 4.126 4.340 -0.001 0.000 0.242 544 R C 2.393 178.459 176.300 -0.391 0.000 1.142 544 R CA 1.866 57.753 56.100 -0.355 0.000 0.960 544 R CB -0.680 29.350 30.300 -0.450 0.000 0.858 544 R HN 0.650 nan 8.270 nan 0.000 0.439 545 H N 1.544 120.200 119.070 -0.691 0.000 2.325 545 H HA -0.161 4.395 4.556 -0.001 0.000 0.296 545 H C 1.282 176.399 175.328 -0.353 0.000 1.053 545 H CA 2.053 57.724 56.048 -0.628 0.000 1.204 545 H CB -0.225 28.858 29.762 -1.132 0.000 1.383 545 H HN 0.154 nan 8.280 nan 0.000 0.532 546 D N 0.567 120.884 120.400 -0.137 0.000 2.239 546 D HA -0.156 4.484 4.640 -0.001 0.000 0.202 546 D C 2.080 178.279 176.300 -0.168 0.000 0.993 546 D CA 1.103 55.040 54.000 -0.105 0.000 0.874 546 D CB -0.325 40.450 40.800 -0.043 0.000 0.922 546 D HN 0.497 nan 8.370 nan 0.000 0.464 547 A N 0.686 123.394 122.820 -0.187 0.000 1.873 547 A HA -0.102 4.217 4.320 -0.001 0.000 0.215 547 A C 2.595 180.085 177.584 -0.157 0.000 1.186 547 A CA 0.992 52.938 52.037 -0.152 0.000 0.616 547 A CB -0.691 18.220 19.000 -0.148 0.000 0.823 547 A HN 0.140 nan 8.150 nan 0.000 0.442 548 V N 0.212 120.001 119.914 -0.208 0.000 2.343 548 V HA -0.264 3.856 4.120 -0.001 0.000 0.247 548 V C 2.551 178.543 176.094 -0.170 0.000 1.051 548 V CA 1.860 64.053 62.300 -0.177 0.000 1.036 548 V CB -0.843 30.861 31.823 -0.199 0.000 0.654 548 V HN 0.542 nan 8.190 nan 0.000 0.451 549 L N -0.222 120.856 121.223 -0.243 0.000 1.970 549 L HA -0.234 4.106 4.340 -0.001 0.000 0.212 549 L C 2.700 179.505 176.870 -0.108 0.000 1.071 549 L CA 2.005 56.733 54.840 -0.187 0.000 0.751 549 L CB -0.645 41.282 42.059 -0.220 0.000 0.889 549 L HN 0.369 nan 8.230 nan 0.000 0.432 550 E N -0.179 119.961 120.200 -0.100 0.000 2.233 550 E HA -0.242 4.107 4.350 -0.001 0.000 0.199 550 E C 1.597 178.162 176.600 -0.058 0.000 1.004 550 E CA 1.072 57.431 56.400 -0.067 0.000 0.819 550 E CB -0.194 29.468 29.700 -0.063 0.000 0.738 550 E HN 0.503 nan 8.360 nan 0.000 0.478 551 A N 0.346 123.126 122.820 -0.067 0.000 2.310 551 A HA 0.327 4.646 4.320 -0.001 0.000 0.230 551 A C 1.406 178.964 177.584 -0.043 0.000 1.294 551 A CA 0.589 52.595 52.037 -0.052 0.000 0.898 551 A CB -0.519 18.449 19.000 -0.054 0.000 0.917 551 A HN 0.293 nan 8.150 nan 0.000 0.491 552 G N -1.818 106.957 108.800 -0.041 0.000 2.147 552 G HA2 0.138 4.097 3.960 -0.001 0.000 0.244 552 G HA3 0.138 4.097 3.960 -0.001 0.000 0.244 552 G C 1.466 176.359 174.900 -0.012 0.000 1.005 552 G CA 0.534 45.620 45.100 -0.023 0.000 0.713 552 G HN 2.242 nan 8.290 nan 0.000 0.515 553 G N -1.023 107.755 108.800 -0.038 0.000 2.578 553 G HA2 0.059 4.018 3.960 -0.001 0.000 0.275 553 G HA3 0.059 4.018 3.960 -0.001 0.000 0.275 553 G C 0.230 175.136 174.900 0.009 0.000 1.271 553 G CA 0.459 45.538 45.100 -0.034 0.000 0.941 553 G HN 1.818 nan 8.290 nan 0.000 0.564 554 L N 0.557 121.795 121.223 0.025 0.000 2.371 554 L HA 0.711 5.050 4.340 -0.001 0.000 0.272 554 L C 0.278 177.202 176.870 0.090 0.000 1.124 554 L CA -0.250 54.622 54.840 0.054 0.000 0.816 554 L CB 1.142 43.225 42.059 0.040 0.000 1.129 554 L HN 0.933 nan 8.230 nan 0.000 0.448 555 H N 4.412 123.482 119.070 -0.001 0.000 2.547 555 H HA 0.615 5.170 4.556 -0.001 0.000 0.342 555 H C -0.861 174.459 175.328 -0.013 0.000 1.048 555 H CA -0.763 55.281 56.048 -0.006 0.000 1.204 555 H CB 1.071 30.834 29.762 0.002 0.000 1.493 555 H HN 0.641 nan 8.280 nan 0.000 0.511 556 I N 3.739 123.993 120.570 -0.526 0.000 2.648 556 I HA 0.506 4.675 4.170 -0.001 0.000 0.304 556 I C -0.963 174.779 176.117 -0.625 0.000 1.009 556 I CA -1.047 60.008 61.300 -0.409 0.000 1.114 556 I CB 1.854 39.712 38.000 -0.237 0.000 1.293 556 I HN 0.634 nan 8.210 nan 0.000 0.449 557 I N 1.809 122.149 120.570 -0.384 0.000 2.497 557 I HA 0.730 4.899 4.170 -0.001 0.000 0.284 557 I C 0.005 175.928 176.117 -0.324 0.000 1.060 557 I CA -0.773 60.339 61.300 -0.313 0.000 1.071 557 I CB 1.461 39.503 38.000 0.071 0.000 1.216 557 I HN 0.841 nan 8.210 nan 0.000 0.442 558 G N 3.172 111.534 108.800 -0.731 0.000 2.364 558 G HA2 0.318 4.278 3.960 -0.001 0.000 0.267 558 G HA3 0.318 4.278 3.960 -0.001 0.000 0.267 558 G C 1.003 175.854 174.900 -0.081 0.000 1.233 558 G CA 0.178 44.925 45.100 -0.588 0.000 0.885 558 G HN 0.874 nan 8.290 nan 0.000 0.490 559 T N -0.870 113.719 114.554 0.059 0.000 3.055 559 T HA 0.102 4.451 4.350 -0.001 0.000 0.265 559 T C 0.563 175.372 174.700 0.181 0.000 1.111 559 T CA 1.061 63.236 62.100 0.124 0.000 1.118 559 T CB -0.336 68.574 68.868 0.071 0.000 0.909 559 T HN 0.763 nan 8.240 nan 0.000 0.501 560 E N -0.375 119.971 120.200 0.244 0.000 2.478 560 E HA 0.317 4.666 4.350 -0.001 0.000 0.293 560 E C -1.427 175.338 176.600 0.274 0.000 1.011 560 E CA -1.132 55.412 56.400 0.239 0.000 0.834 560 E CB 0.892 30.679 29.700 0.145 0.000 1.226 560 E HN 0.074 nan 8.360 nan 0.000 0.419 561 R N 1.503 122.104 120.500 0.169 0.000 2.590 561 R HA 0.182 4.521 4.340 -0.001 0.000 0.274 561 R C -0.034 176.306 176.300 0.068 0.000 1.061 561 R CA -0.114 56.001 56.100 0.025 0.000 1.081 561 R CB 0.350 30.571 30.300 -0.132 0.000 0.984 561 R HN 0.538 nan 8.270 nan 0.000 0.448 562 H N 0.804 119.871 119.070 -0.004 0.000 2.495 562 H HA 0.048 4.604 4.556 -0.001 0.000 0.350 562 H C 0.910 176.230 175.328 -0.013 0.000 1.202 562 H CA -0.242 55.814 56.048 0.013 0.000 1.322 562 H CB 1.081 30.860 29.762 0.029 0.000 1.544 562 H HN 0.517 nan 8.280 nan 0.000 0.565 563 E N 1.021 120.865 120.200 -0.594 0.000 2.147 563 E HA -0.109 4.240 4.350 -0.001 0.000 0.199 563 E C -0.093 176.533 176.600 0.043 0.000 1.005 563 E CA 1.262 57.522 56.400 -0.233 0.000 0.810 563 E CB -0.035 29.493 29.700 -0.286 0.000 0.736 563 E HN 0.405 nan 8.360 nan 0.000 0.460 564 S N 0.017 115.923 115.700 0.344 0.000 2.456 564 S HA 0.253 4.723 4.470 -0.001 0.000 0.316 564 S C 0.816 175.481 174.600 0.107 0.000 1.089 564 S CA -0.580 57.734 58.200 0.189 0.000 1.101 564 S CB 2.544 65.844 63.200 0.167 0.000 0.995 564 S HN 0.169 nan 8.310 nan 0.000 0.468 565 R N 3.137 123.647 120.500 0.016 0.000 2.105 565 R HA -0.080 4.259 4.340 -0.001 0.000 0.239 565 R C 2.203 178.489 176.300 -0.022 0.000 1.135 565 R CA 1.348 57.425 56.100 -0.039 0.000 0.967 565 R CB -0.126 30.138 30.300 -0.061 0.000 0.861 565 R HN 0.612 nan 8.270 nan 0.000 0.442 566 R N 0.409 120.903 120.500 -0.010 0.000 2.113 566 R HA -0.183 4.157 4.340 -0.001 0.000 0.244 566 R C 2.129 178.420 176.300 -0.016 0.000 1.142 566 R CA 2.014 58.107 56.100 -0.012 0.000 0.953 566 R CB -0.261 30.029 30.300 -0.017 0.000 0.860 566 R HN 0.273 nan 8.270 nan 0.000 0.438 567 I N 1.749 122.293 120.570 -0.043 0.000 2.142 567 I HA -0.261 3.909 4.170 -0.001 0.000 0.240 567 I C 1.300 177.414 176.117 -0.006 0.000 1.078 567 I CA 1.653 62.894 61.300 -0.098 0.000 1.343 567 I CB -1.398 36.386 38.000 -0.360 0.000 1.046 567 I HN 0.305 nan 8.210 nan 0.000 0.405 568 D N -0.669 119.756 120.400 0.042 0.000 2.504 568 D HA -0.063 4.576 4.640 -0.001 0.000 0.243 568 D C 1.059 177.457 176.300 0.163 0.000 1.203 568 D CA 0.196 54.290 54.000 0.157 0.000 0.847 568 D CB -0.391 40.464 40.800 0.092 0.000 0.973 568 D HN 0.128 nan 8.370 nan 0.000 0.490 569 N N -0.072 118.680 118.700 0.088 0.000 2.445 569 N HA -0.004 4.735 4.740 -0.001 0.000 0.204 569 N C 1.344 176.896 175.510 0.069 0.000 1.098 569 N CA 0.272 53.367 53.050 0.076 0.000 0.859 569 N CB 0.262 38.767 38.487 0.031 0.000 1.249 569 N HN 0.254 nan 8.380 nan 0.000 0.462 570 Q N 0.349 120.180 119.800 0.051 0.000 2.170 570 Q HA -0.079 4.260 4.340 -0.001 0.000 0.203 570 Q C 1.615 177.640 176.000 0.043 0.000 0.976 570 Q CA 0.894 56.717 55.803 0.034 0.000 0.858 570 Q CB 0.036 28.782 28.738 0.015 0.000 0.907 570 Q HN 0.158 nan 8.270 nan 0.000 0.433 571 L N 1.254 122.519 121.223 0.070 0.000 1.988 571 L HA -0.161 4.178 4.340 -0.001 0.000 0.207 571 L C 2.188 179.073 176.870 0.024 0.000 1.071 571 L CA 1.750 56.620 54.840 0.050 0.000 0.744 571 L CB -0.445 41.664 42.059 0.082 0.000 0.893 571 L HN 0.015 nan 8.230 nan 0.000 0.433 572 R N -0.551 119.987 120.500 0.064 0.000 2.112 572 R HA -0.184 4.156 4.340 -0.001 0.000 0.242 572 R C 2.184 178.496 176.300 0.020 0.000 1.137 572 R CA 1.462 57.584 56.100 0.038 0.000 0.944 572 R CB -1.344 29.013 30.300 0.095 0.000 0.857 572 R HN 0.589 nan 8.270 nan 0.000 0.435 573 G N 0.987 109.805 108.800 0.031 0.000 2.485 573 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.221 573 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.221 573 G C 1.285 176.195 174.900 0.018 0.000 1.115 573 G CA 0.671 45.785 45.100 0.024 0.000 0.751 573 G HN 0.302 nan 8.290 nan 0.000 0.567 574 R N -0.192 120.315 120.500 0.013 0.000 2.355 574 R HA 0.070 4.409 4.340 -0.001 0.000 0.219 574 R C 1.069 177.377 176.300 0.013 0.000 1.107 574 R CA 0.634 56.742 56.100 0.012 0.000 1.021 574 R CB -0.051 30.252 30.300 0.006 0.000 0.852 574 R HN 0.339 nan 8.270 nan 0.000 0.475 575 S N -1.753 113.952 115.700 0.008 0.000 2.600 575 S HA 0.490 4.959 4.470 -0.001 0.000 0.300 575 S C 0.296 174.907 174.600 0.018 0.000 1.087 575 S CA -0.106 58.100 58.200 0.010 0.000 0.965 575 S CB 1.869 65.064 63.200 -0.009 0.000 1.089 575 S HN 0.350 nan 8.310 nan 0.000 0.496 576 G N 3.002 111.816 108.800 0.023 0.000 2.273 576 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.280 576 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.280 576 G C 0.071 174.986 174.900 0.026 0.000 1.047 576 G CA 0.634 45.748 45.100 0.024 0.000 0.869 576 G HN 0.933 nan 8.290 nan 0.000 0.502 577 R N -0.495 120.026 120.500 0.035 0.000 2.543 577 R HA 0.492 4.831 4.340 -0.001 0.000 0.268 577 R C 0.713 177.037 176.300 0.040 0.000 1.067 577 R CA -0.135 55.986 56.100 0.035 0.000 1.142 577 R CB 0.281 30.606 30.300 0.041 0.000 1.110 577 R HN 0.289 nan 8.270 nan 0.000 0.549 578 Q N -0.020 119.795 119.800 0.025 0.000 2.408 578 Q HA -0.228 4.111 4.340 -0.001 0.000 0.290 578 Q C 0.723 176.725 176.000 0.003 0.000 1.221 578 Q CA 1.716 57.523 55.803 0.006 0.000 0.895 578 Q CB -1.811 26.955 28.738 0.048 0.000 1.241 578 Q HN 1.192 nan 8.270 nan 0.000 0.494 579 G N -0.924 107.876 108.800 0.000 0.000 2.195 579 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.246 579 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.246 579 G C -0.092 174.820 174.900 0.020 0.000 0.984 579 G CA 0.057 45.158 45.100 0.003 0.000 0.633 579 G HN 0.424 nan 8.290 nan 0.000 0.525 580 D N 1.169 121.590 120.400 0.035 0.000 2.472 580 D HA 0.484 5.123 4.640 -0.001 0.000 0.237 580 D C 0.804 177.112 176.300 0.014 0.000 1.141 580 D CA 1.104 55.123 54.000 0.032 0.000 0.875 580 D CB 1.009 41.834 40.800 0.043 0.000 1.192 580 D HN 0.791 nan 8.370 nan 0.000 0.450 581 A N 1.811 124.631 122.820 0.001 0.000 2.302 581 A HA 0.633 4.952 4.320 -0.001 0.000 0.295 581 A C 0.583 178.169 177.584 0.003 0.000 1.235 581 A CA 0.176 52.213 52.037 -0.000 0.000 0.876 581 A CB 0.570 19.563 19.000 -0.011 0.000 1.133 581 A HN 0.520 nan 8.150 nan 0.000 0.533 582 G N 0.534 109.346 108.800 0.019 0.000 2.782 582 G HA2 0.748 4.707 3.960 -0.001 0.000 0.304 582 G HA3 0.748 4.707 3.960 -0.001 0.000 0.304 582 G C -0.739 174.198 174.900 0.060 0.000 1.315 582 G CA 0.131 45.254 45.100 0.037 0.000 0.791 582 G HN 1.637 nan 8.290 nan 0.000 0.519 583 S N -1.506 114.254 115.700 0.100 0.000 2.565 583 S HA 0.822 5.291 4.470 -0.001 0.000 0.269 583 S C -0.748 173.890 174.600 0.062 0.000 1.153 583 S CA -0.084 58.200 58.200 0.141 0.000 0.835 583 S CB 1.471 64.814 63.200 0.237 0.000 1.122 583 S HN 1.997 nan 8.310 nan 0.000 0.462 584 S N 0.848 116.549 115.700 0.002 0.000 2.549 584 S HA 0.869 5.338 4.470 -0.001 0.000 0.280 584 S C -1.167 173.361 174.600 -0.121 0.000 1.109 584 S CA -0.873 57.211 58.200 -0.193 0.000 0.905 584 S CB 1.956 65.087 63.200 -0.115 0.000 1.081 584 S HN 0.834 nan 8.310 nan 0.000 0.477 585 R N 0.936 121.254 120.500 -0.303 0.000 2.698 585 R HA 0.580 4.919 4.340 -0.001 0.000 0.275 585 R C -2.192 173.773 176.300 -0.557 0.000 1.001 585 R CA -0.681 55.253 56.100 -0.277 0.000 0.896 585 R CB 1.689 31.883 30.300 -0.177 0.000 1.218 585 R HN 0.759 nan 8.270 nan 0.000 0.462 586 F N 2.290 122.009 119.950 -0.385 0.000 2.507 586 F HA 0.428 4.954 4.527 -0.001 0.000 0.325 586 F C -0.569 174.987 175.800 -0.406 0.000 1.116 586 F CA -0.489 57.338 58.000 -0.288 0.000 0.930 586 F CB 1.421 40.351 39.000 -0.117 0.000 1.146 586 F HN 0.332 nan 8.300 nan 0.000 0.447 587 Y N 4.919 125.338 120.300 0.198 0.000 2.478 587 Y HA 0.511 5.060 4.550 -0.001 0.000 0.329 587 Y C -0.540 175.463 175.900 0.172 0.000 0.967 587 Y CA -0.862 57.334 58.100 0.161 0.000 1.255 587 Y CB 0.581 39.042 38.460 0.002 0.000 1.103 587 Y HN 0.308 nan 8.280 nan 0.000 0.497 588 L N 1.754 123.163 121.223 0.309 0.000 2.440 588 L HA 0.650 4.989 4.340 -0.001 0.000 0.262 588 L C 0.483 177.494 176.870 0.235 0.000 1.072 588 L CA -0.533 54.441 54.840 0.223 0.000 0.798 588 L CB 1.124 43.275 42.059 0.154 0.000 1.307 588 L HN 0.572 nan 8.230 nan 0.000 0.475 589 S N -0.851 114.945 115.700 0.160 0.000 2.648 589 S HA 0.440 4.909 4.470 -0.001 0.000 0.305 589 S C 0.580 175.245 174.600 0.109 0.000 1.094 589 S CA -0.637 57.651 58.200 0.145 0.000 0.983 589 S CB 1.184 64.444 63.200 0.099 0.000 1.101 589 S HN 0.557 nan 8.310 nan 0.000 0.514 590 M N 1.240 120.897 119.600 0.095 0.000 2.117 590 M HA 0.080 4.559 4.480 -0.001 0.000 0.262 590 M C 1.229 177.556 176.300 0.044 0.000 1.065 590 M CA 1.749 57.085 55.300 0.061 0.000 1.114 590 M CB -0.721 31.910 32.600 0.050 0.000 1.361 590 M HN 0.840 nan 8.290 nan 0.000 0.408 591 E N 0.229 120.456 120.200 0.044 0.000 2.441 591 E HA -0.104 4.245 4.350 -0.001 0.000 0.210 591 E C 0.400 177.017 176.600 0.028 0.000 1.306 591 E CA 0.162 56.581 56.400 0.031 0.000 1.307 591 E CB -0.316 29.400 29.700 0.028 0.000 1.297 591 E HN 0.592 nan 8.360 nan 0.000 0.440 592 D N -1.046 119.373 120.400 0.031 0.000 2.181 592 D HA 0.030 4.669 4.640 -0.001 0.000 0.282 592 D C 1.595 177.907 176.300 0.019 0.000 1.244 592 D CA 0.519 54.534 54.000 0.025 0.000 1.190 592 D CB -0.372 40.451 40.800 0.038 0.000 1.845 592 D HN 0.092 nan 8.370 nan 0.000 0.485 593 A N 1.531 124.369 122.820 0.030 0.000 2.148 593 A HA -0.061 4.258 4.320 -0.001 0.000 0.222 593 A C 1.663 179.253 177.584 0.009 0.000 1.161 593 A CA 0.716 52.766 52.037 0.021 0.000 0.662 593 A CB -0.871 18.147 19.000 0.030 0.000 0.799 593 A HN 0.407 nan 8.150 nan 0.000 0.466 594 L N 1.357 122.586 121.223 0.009 0.000 2.803 594 L HA 0.078 4.418 4.340 -0.001 0.000 0.241 594 L C -0.133 176.736 176.870 -0.002 0.000 1.404 594 L CA -0.517 54.325 54.840 0.003 0.000 1.211 594 L CB -0.661 41.401 42.059 0.005 0.000 1.585 594 L HN 0.350 nan 8.230 nan 0.000 0.430 595 M N 1.929 121.525 119.600 -0.006 0.000 2.429 595 M HA 0.204 4.683 4.480 -0.001 0.000 0.334 595 M C 0.161 176.454 176.300 -0.011 0.000 1.560 595 M CA 1.076 56.369 55.300 -0.012 0.000 1.291 595 M CB -0.594 31.996 32.600 -0.018 0.000 1.754 595 M HN 0.418 nan 8.290 nan 0.000 0.456 596 R N 0.000 120.494 120.500 -0.011 0.000 2.786 596 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 596 R CA 0.000 56.094 56.100 -0.010 0.000 0.921 596 R CB 0.000 30.296 30.300 -0.007 0.000 0.687 596 R HN 0.000 nan 8.270 nan 0.000 0.535