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 1xzq_1_A DATA FIRST_RESID 2 DATA SEQUENCE DTIVAVATPP GKGAIAILRL SGPDSWKIVQ KHLRTRSKIV PRKAIHGWIH DATA SEQUENCE ENGEDVDEVV VVFYKSPKSY TGEDMVEVMC HGGPLVVKKL LDLFLKSGAR DATA SEQUENCE MAEPGEFTKR AFLNGKMDLT SAEAVRDLIE AKSETSLKLS LRNLKGGLRD DATA SEQUENCE FVDSLRRELI EVLAEIRVEL DYPDEIETNT GEVVTRLERI KEKLTEELKK DATA SEQUENCE ADAGILLNRG LRMVIVGKPN VGKSTLLNRL LNEDRAIVTD IPGTTRDVIS DATA SEQUENCE EEIVIRGILF RIVDTAGVRS ETNDLVERLG IERTLQEIEK ADIVLFVLDA DATA SEQUENCE SSPLDEEDRK ILERIKNKRY LVVINKVDVV EKINEEEIKN KLGTDRHMVK DATA SEQUENCE ISALKGEGLE KLEESIYRET QEIFERGSDS LITNLRQKQL LENVKGHLED DATA SEQUENCE AIKSLKEGMP VDMASIDLER ALNLLDEVTG RSFREDLLDT IFSNFCVGK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.289 176.300 -0.019 0.000 2.045 2 D CA 0.000 53.992 54.000 -0.014 0.000 0.868 2 D CB 0.000 40.794 40.800 -0.009 0.000 0.688 3 T N 0.741 115.298 114.554 0.006 0.000 2.884 3 T HA 0.457 4.807 4.350 -0.000 0.000 0.298 3 T C -0.033 174.659 174.700 -0.014 0.000 0.998 3 T CA -0.346 61.761 62.100 0.012 0.000 1.124 3 T CB 0.254 69.156 68.868 0.057 0.000 0.931 3 T HN 0.263 nan 8.240 nan 0.000 0.531 4 I N 3.047 123.588 120.570 -0.049 0.000 2.493 4 I HA 0.578 4.748 4.170 -0.000 0.000 0.298 4 I C -0.195 175.934 176.117 0.020 0.000 0.998 4 I CA -0.788 60.463 61.300 -0.081 0.000 1.137 4 I CB 1.846 39.669 38.000 -0.295 0.000 1.310 4 I HN 0.324 nan 8.210 nan 0.000 0.445 5 V N 5.269 125.221 119.914 0.064 0.000 2.841 5 V HA 0.953 5.073 4.120 -0.000 0.000 0.310 5 V C -0.877 175.304 176.094 0.146 0.000 1.090 5 V CA -0.151 62.205 62.300 0.093 0.000 0.930 5 V CB 1.905 33.734 31.823 0.009 0.000 1.014 5 V HN 1.004 nan 8.190 nan 0.000 0.425 6 A N 4.296 127.189 122.820 0.122 0.000 2.566 6 A HA 0.764 5.084 4.320 -0.000 0.000 0.290 6 A C -1.634 175.931 177.584 -0.033 0.000 1.071 6 A CA -0.407 51.678 52.037 0.080 0.000 0.658 6 A CB 1.639 20.746 19.000 0.179 0.000 1.285 6 A HN 1.163 nan 8.150 nan 0.000 0.427 7 V N 1.745 121.640 119.914 -0.032 0.000 2.348 7 V HA 0.480 4.600 4.120 -0.000 0.000 0.270 7 V C 1.366 177.394 176.094 -0.110 0.000 1.037 7 V CA 0.424 62.686 62.300 -0.064 0.000 0.872 7 V CB 0.417 32.225 31.823 -0.026 0.000 1.002 7 V HN 1.418 nan 8.190 nan 0.000 0.464 8 A N 4.267 126.983 122.820 -0.174 0.000 1.969 8 A HA -0.004 4.315 4.320 -0.000 0.000 0.218 8 A C 1.377 178.873 177.584 -0.147 0.000 1.169 8 A CA 1.362 53.269 52.037 -0.218 0.000 0.635 8 A CB -0.408 18.424 19.000 -0.279 0.000 0.810 8 A HN 0.760 nan 8.150 nan 0.000 0.445 9 T N -0.525 113.962 114.554 -0.111 0.000 2.882 9 T HA 0.488 4.838 4.350 -0.000 0.000 0.287 9 T C -2.591 172.074 174.700 -0.058 0.000 1.014 9 T CA -1.681 60.369 62.100 -0.083 0.000 1.049 9 T CB 0.332 69.155 68.868 -0.075 0.000 1.001 9 T HN 0.038 nan 8.240 nan 0.000 0.525 10 P HA 0.178 nan 4.420 nan 0.000 0.266 10 P C -2.147 175.139 177.300 -0.024 0.000 1.195 10 P CA -0.939 62.141 63.100 -0.033 0.000 0.768 10 P CB -0.501 31.180 31.700 -0.032 0.000 0.838 11 P HA 0.292 nan 4.420 nan 0.000 0.271 11 P C 0.142 177.438 177.300 -0.006 0.000 1.233 11 P CA 0.454 63.550 63.100 -0.007 0.000 0.764 11 P CB 0.623 32.323 31.700 -0.000 0.000 0.825 12 G N 1.950 110.748 108.800 -0.004 0.000 2.350 12 G HA2 0.204 4.164 3.960 -0.000 0.000 0.276 12 G HA3 0.204 4.164 3.960 -0.000 0.000 0.276 12 G C -1.707 173.192 174.900 -0.001 0.000 1.313 12 G CA -0.820 44.279 45.100 -0.002 0.000 0.903 12 G HN 0.686 nan 8.290 nan 0.000 0.490 13 K N -0.171 120.229 120.400 -0.001 0.000 2.156 13 K HA 0.752 5.072 4.320 -0.000 0.000 0.271 13 K C 0.274 176.872 176.600 -0.002 0.000 0.995 13 K CA 0.531 56.819 56.287 0.002 0.000 0.890 13 K CB 1.347 33.850 32.500 0.005 0.000 1.073 13 K HN 1.674 nan 8.250 nan 0.000 0.454 14 G N 1.060 109.859 108.800 -0.001 0.000 2.506 14 G HA2 0.460 4.420 3.960 -0.000 0.000 0.292 14 G HA3 0.460 4.420 3.960 -0.000 0.000 0.292 14 G C -0.101 174.794 174.900 -0.009 0.000 1.425 14 G CA -0.300 44.794 45.100 -0.009 0.000 0.788 14 G HN 0.624 nan 8.290 nan 0.000 0.490 15 A N -0.704 122.103 122.820 -0.022 0.000 1.883 15 A HA 0.310 4.629 4.320 -0.000 0.000 0.217 15 A C 1.024 178.564 177.584 -0.073 0.000 1.186 15 A CA 1.497 53.514 52.037 -0.034 0.000 0.624 15 A CB -0.513 18.458 19.000 -0.049 0.000 0.822 15 A HN 0.713 nan 8.150 nan 0.000 0.444 16 I N -2.506 118.015 120.570 -0.081 0.000 2.785 16 I HA 0.660 4.830 4.170 -0.000 0.000 0.302 16 I C -0.009 176.063 176.117 -0.076 0.000 1.069 16 I CA -0.415 60.821 61.300 -0.108 0.000 1.045 16 I CB 2.322 40.243 38.000 -0.132 0.000 1.236 16 I HN 0.233 nan 8.210 nan 0.000 0.429 17 A N 4.621 127.397 122.820 -0.074 0.000 2.530 17 A HA 0.983 5.303 4.320 -0.000 0.000 0.288 17 A C -1.330 176.209 177.584 -0.075 0.000 1.172 17 A CA -0.663 51.338 52.037 -0.059 0.000 0.733 17 A CB 2.042 21.024 19.000 -0.031 0.000 1.320 17 A HN 0.811 nan 8.150 nan 0.000 0.419 18 I N -0.051 120.472 120.570 -0.078 0.000 2.685 18 I HA 0.474 4.644 4.170 -0.000 0.000 0.289 18 I C -2.035 174.016 176.117 -0.110 0.000 1.292 18 I CA -0.774 60.466 61.300 -0.099 0.000 1.050 18 I CB 1.259 39.185 38.000 -0.124 0.000 1.301 18 I HN 0.456 nan 8.210 nan 0.000 0.425 19 L N 6.835 127.992 121.223 -0.110 0.000 2.325 19 L HA 0.588 4.928 4.340 -0.000 0.000 0.279 19 L C 0.066 176.815 176.870 -0.202 0.000 1.054 19 L CA -0.328 54.431 54.840 -0.134 0.000 0.804 19 L CB 1.347 43.337 42.059 -0.116 0.000 1.200 19 L HN 0.703 nan 8.230 nan 0.000 0.436 20 R N 3.384 123.762 120.500 -0.203 0.000 2.562 20 R HA 0.720 5.059 4.340 -0.000 0.000 0.298 20 R C -1.098 175.184 176.300 -0.031 0.000 0.961 20 R CA -0.718 55.271 56.100 -0.185 0.000 0.881 20 R CB 2.141 32.191 30.300 -0.417 0.000 1.159 20 R HN 0.462 nan 8.270 nan 0.000 0.450 21 L N 1.557 122.773 121.223 -0.012 0.000 2.372 21 L HA 0.410 4.750 4.340 -0.000 0.000 0.274 21 L C -0.553 176.416 176.870 0.166 0.000 0.988 21 L CA -0.485 54.374 54.840 0.031 0.000 0.833 21 L CB 2.134 44.124 42.059 -0.116 0.000 1.236 21 L HN 0.532 nan 8.230 nan 0.000 0.410 22 S N 2.017 117.822 115.700 0.176 0.000 2.561 22 S HA 0.950 5.420 4.470 -0.000 0.000 0.303 22 S C -0.275 174.342 174.600 0.029 0.000 1.110 22 S CA 0.082 58.360 58.200 0.131 0.000 1.034 22 S CB 1.617 64.877 63.200 0.101 0.000 1.010 22 S HN 0.938 nan 8.310 nan 0.000 0.482 23 G N 4.930 113.775 108.800 0.075 0.000 2.356 23 G HA2 0.217 4.177 3.960 -0.000 0.000 0.288 23 G HA3 0.217 4.177 3.960 -0.000 0.000 0.288 23 G C -3.058 171.888 174.900 0.077 0.000 1.302 23 G CA -0.527 44.598 45.100 0.042 0.000 0.887 23 G HN 0.415 nan 8.290 nan 0.000 0.521 24 P HA 0.076 nan 4.420 nan 0.000 0.210 24 P C 0.858 178.200 177.300 0.070 0.000 1.192 24 P CA 1.692 64.812 63.100 0.034 0.000 0.913 24 P CB 0.029 31.737 31.700 0.014 0.000 0.774 25 D N -0.379 120.075 120.400 0.090 0.000 2.346 25 D HA -0.034 4.606 4.640 -0.000 0.000 0.248 25 D C 1.320 177.751 176.300 0.219 0.000 1.173 25 D CA 0.455 54.537 54.000 0.136 0.000 0.878 25 D CB -0.586 40.283 40.800 0.115 0.000 0.919 25 D HN 0.239 nan 8.370 nan 0.000 0.513 26 S N -0.182 115.671 115.700 0.255 0.000 2.374 26 S HA -0.241 4.229 4.470 -0.000 0.000 0.227 26 S C 1.698 176.554 174.600 0.426 0.000 1.037 26 S CA 0.532 58.912 58.200 0.300 0.000 1.024 26 S CB -0.631 62.770 63.200 0.336 0.000 0.861 26 S HN 0.352 nan 8.310 nan 0.000 0.456 27 W N 2.341 123.754 121.300 0.188 0.000 2.380 27 W HA 0.192 4.851 4.660 -0.000 0.000 0.317 27 W C 2.635 179.281 176.519 0.212 0.000 1.196 27 W CA 0.669 58.163 57.345 0.248 0.000 1.307 27 W CB -0.848 28.690 29.460 0.130 0.000 1.157 27 W HN 0.275 nan 8.180 nan 0.000 0.483 28 K N 0.118 120.764 120.400 0.411 0.000 2.034 28 K HA -0.232 4.088 4.320 -0.000 0.000 0.214 28 K C 1.786 178.562 176.600 0.293 0.000 1.051 28 K CA 2.416 58.870 56.287 0.278 0.000 0.931 28 K CB -0.985 31.632 32.500 0.195 0.000 0.715 28 K HN 0.115 nan 8.250 nan 0.000 0.446 29 I N 0.372 121.127 120.570 0.308 0.000 2.091 29 I HA -0.313 3.857 4.170 -0.000 0.000 0.239 29 I C 2.417 178.829 176.117 0.492 0.000 1.061 29 I CA 1.374 62.894 61.300 0.367 0.000 1.317 29 I CB -0.521 37.674 38.000 0.326 0.000 1.031 29 I HN 0.050 nan 8.210 nan 0.000 0.401 30 V N -0.064 120.126 119.914 0.460 0.000 2.667 30 V HA -0.246 3.874 4.120 -0.000 0.000 0.252 30 V C 2.309 178.650 176.094 0.411 0.000 1.065 30 V CA 1.808 64.424 62.300 0.528 0.000 1.083 30 V CB -0.179 31.810 31.823 0.277 0.000 0.692 30 V HN 0.495 nan 8.190 nan 0.000 0.468 31 Q N -0.127 119.894 119.800 0.368 0.000 2.297 31 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 31 Q C 2.236 178.362 176.000 0.211 0.000 0.962 31 Q CA 1.496 57.464 55.803 0.276 0.000 0.879 31 Q CB -0.149 28.722 28.738 0.222 0.000 0.947 31 Q HN 0.701 nan 8.270 nan 0.000 0.462 32 K N -0.584 119.955 120.400 0.231 0.000 2.152 32 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 32 K C 0.464 176.997 176.600 -0.110 0.000 1.048 32 K CA 1.681 57.997 56.287 0.048 0.000 0.933 32 K CB 0.095 32.590 32.500 -0.007 0.000 0.721 32 K HN 0.399 nan 8.250 nan 0.000 0.447 33 H N -1.047 118.060 119.070 0.061 0.000 2.893 33 H HA 0.171 4.727 4.556 -0.000 0.000 0.270 33 H C -0.685 174.443 175.328 -0.334 0.000 1.095 33 H CA -0.614 55.355 56.048 -0.133 0.000 1.186 33 H CB 0.399 30.065 29.762 -0.160 0.000 1.562 33 H HN 0.023 nan 8.280 nan 0.000 0.536 34 L N 1.873 123.131 121.223 0.060 0.000 2.360 34 L HA 0.285 4.625 4.340 -0.000 0.000 0.276 34 L C 0.249 177.159 176.870 0.067 0.000 1.121 34 L CA -0.140 54.736 54.840 0.059 0.000 0.845 34 L CB 0.561 42.722 42.059 0.170 0.000 1.143 34 L HN 0.138 nan 8.230 nan 0.000 0.452 35 R N 3.359 123.905 120.500 0.076 0.000 2.402 35 R HA 0.416 4.756 4.340 -0.000 0.000 0.290 35 R C -0.948 175.440 176.300 0.148 0.000 1.321 35 R CA -0.130 56.062 56.100 0.154 0.000 1.283 35 R CB 0.579 31.020 30.300 0.236 0.000 1.111 35 R HN 0.832 nan 8.270 nan 0.000 0.578 36 T N 1.197 115.814 114.554 0.105 0.000 2.908 36 T HA 0.349 4.699 4.350 -0.000 0.000 0.290 36 T C 0.051 174.787 174.700 0.060 0.000 1.034 36 T CA -0.940 61.203 62.100 0.071 0.000 1.010 36 T CB 1.004 69.909 68.868 0.062 0.000 1.068 36 T HN 0.719 nan 8.240 nan 0.000 0.481 37 R N 1.773 122.300 120.500 0.044 0.000 2.791 37 R HA 0.512 4.852 4.340 -0.000 0.000 0.357 37 R C -0.281 176.039 176.300 0.033 0.000 1.173 37 R CA -0.643 55.481 56.100 0.039 0.000 1.060 37 R CB 0.084 30.407 30.300 0.039 0.000 1.406 37 R HN 0.285 nan 8.270 nan 0.000 0.580 38 S N 1.115 116.834 115.700 0.033 0.000 2.614 38 S HA 0.234 4.704 4.470 -0.000 0.000 0.288 38 S C -1.072 173.540 174.600 0.021 0.000 1.137 38 S CA -0.785 57.432 58.200 0.029 0.000 0.992 38 S CB 1.368 64.589 63.200 0.036 0.000 1.026 38 S HN 0.338 nan 8.310 nan 0.000 0.486 39 K N 3.842 124.250 120.400 0.013 0.000 2.466 39 K HA 0.050 4.370 4.320 -0.000 0.000 0.278 39 K C -0.000 176.589 176.600 -0.019 0.000 1.048 39 K CA -0.255 56.032 56.287 0.000 0.000 1.088 39 K CB -0.557 31.947 32.500 0.007 0.000 0.884 39 K HN 0.579 nan 8.250 nan 0.000 0.478 40 I N 3.356 123.885 120.570 -0.069 0.000 2.996 40 I HA 0.018 4.188 4.170 -0.000 0.000 0.285 40 I C -0.527 175.524 176.117 -0.110 0.000 1.173 40 I CA 0.041 61.228 61.300 -0.189 0.000 1.396 40 I CB -0.496 37.227 38.000 -0.462 0.000 1.470 40 I HN 0.060 nan 8.210 nan 0.000 0.586 41 V N 8.417 128.305 119.914 -0.045 0.000 2.435 41 V HA 0.462 4.582 4.120 -0.000 0.000 0.290 41 V C -1.651 174.454 176.094 0.017 0.000 1.030 41 V CA -1.624 60.683 62.300 0.011 0.000 0.881 41 V CB 1.418 33.251 31.823 0.017 0.000 0.983 41 V HN 0.645 nan 8.190 nan 0.000 0.445 42 P HA 0.040 nan 4.420 nan 0.000 0.266 42 P C 0.142 177.417 177.300 -0.042 0.000 1.193 42 P CA -0.016 63.123 63.100 0.066 0.000 0.770 42 P CB 0.349 32.159 31.700 0.183 0.000 0.836 43 R N -1.486 118.883 120.500 -0.218 0.000 3.502 43 R HA -0.204 4.136 4.340 -0.000 0.000 0.266 43 R C 0.080 176.304 176.300 -0.128 0.000 1.077 43 R CA 0.896 56.839 56.100 -0.262 0.000 0.718 43 R CB -1.574 28.673 30.300 -0.089 0.000 1.120 43 R HN 0.469 nan 8.270 nan 0.000 0.457 44 K N 0.573 120.908 120.400 -0.108 0.000 2.376 44 K HA 0.501 4.821 4.320 -0.000 0.000 0.257 44 K C -0.671 175.900 176.600 -0.049 0.000 0.939 44 K CA -0.222 56.036 56.287 -0.048 0.000 0.809 44 K CB 1.670 34.163 32.500 -0.010 0.000 1.121 44 K HN 0.218 nan 8.250 nan 0.000 0.425 45 A N 5.887 128.681 122.820 -0.043 0.000 2.496 45 A HA 0.254 4.574 4.320 -0.000 0.000 0.278 45 A C -0.245 177.333 177.584 -0.010 0.000 1.137 45 A CA 0.131 52.142 52.037 -0.044 0.000 0.805 45 A CB -0.818 18.158 19.000 -0.041 0.000 1.077 45 A HN 0.737 nan 8.150 nan 0.000 0.513 46 I N 2.548 123.115 120.570 -0.005 0.000 2.412 46 I HA 0.270 4.440 4.170 -0.000 0.000 0.296 46 I C 0.009 176.166 176.117 0.067 0.000 0.987 46 I CA -0.552 60.776 61.300 0.046 0.000 1.180 46 I CB 1.531 39.587 38.000 0.094 0.000 1.340 46 I HN 0.804 nan 8.210 nan 0.000 0.455 47 H N 4.687 123.737 119.070 -0.034 0.000 2.469 47 H HA 0.843 5.399 4.556 -0.000 0.000 0.342 47 H C -0.471 174.831 175.328 -0.044 0.000 1.115 47 H CA -0.549 55.457 56.048 -0.069 0.000 1.204 47 H CB 1.592 31.313 29.762 -0.069 0.000 1.492 47 H HN 0.718 nan 8.280 nan 0.000 0.499 48 G N 2.309 110.948 108.800 -0.268 0.000 2.427 48 G HA2 0.267 4.226 3.960 -0.000 0.000 0.306 48 G HA3 0.267 4.226 3.960 -0.000 0.000 0.306 48 G C -1.834 172.886 174.900 -0.301 0.000 1.280 48 G CA -0.899 44.033 45.100 -0.280 0.000 0.837 48 G HN 0.488 nan 8.290 nan 0.000 0.482 49 W N -1.030 120.239 121.300 -0.051 0.000 2.869 49 W HA 0.856 5.516 4.660 -0.000 0.000 0.345 49 W C -0.017 176.473 176.519 -0.049 0.000 1.191 49 W CA -0.792 56.547 57.345 -0.010 0.000 1.104 49 W CB 1.429 30.895 29.460 0.011 0.000 1.471 49 W HN 0.279 nan 8.180 nan 0.000 0.612 50 I N 1.825 122.519 120.570 0.208 0.000 2.563 50 I HA 0.085 4.255 4.170 -0.000 0.000 0.285 50 I C -0.853 175.264 176.117 0.000 0.000 1.123 50 I CA -0.893 60.395 61.300 -0.019 0.000 1.059 50 I CB 1.285 39.279 38.000 -0.010 0.000 1.229 50 I HN 0.512 nan 8.210 nan 0.000 0.442 51 H N 3.224 122.381 119.070 0.144 0.000 2.495 51 H HA 0.475 5.031 4.556 -0.000 0.000 0.350 51 H C 0.038 175.425 175.328 0.098 0.000 1.202 51 H CA -0.708 55.399 56.048 0.099 0.000 1.322 51 H CB 1.464 31.267 29.762 0.069 0.000 1.544 51 H HN 0.445 nan 8.280 nan 0.000 0.565 52 E N 0.025 120.360 120.200 0.225 0.000 2.083 52 E HA -0.024 4.325 4.350 -0.000 0.000 0.193 52 E C 0.575 177.279 176.600 0.173 0.000 0.950 52 E CA 1.098 57.589 56.400 0.152 0.000 0.849 52 E CB 0.206 29.946 29.700 0.067 0.000 0.827 52 E HN 0.873 nan 8.360 nan 0.000 0.465 53 N N -1.410 117.354 118.700 0.107 0.000 2.354 53 N HA 0.062 4.802 4.740 -0.000 0.000 0.253 53 N C 1.221 176.734 175.510 0.005 0.000 1.096 53 N CA 0.505 53.589 53.050 0.056 0.000 0.820 53 N CB 0.283 38.792 38.487 0.037 0.000 1.610 53 N HN 0.078 nan 8.380 nan 0.000 0.501 54 G N 0.414 109.218 108.800 0.006 0.000 2.463 54 G HA2 0.196 4.156 3.960 -0.000 0.000 0.211 54 G HA3 0.196 4.156 3.960 -0.000 0.000 0.211 54 G C 0.149 175.028 174.900 -0.035 0.000 1.881 54 G CA 0.209 45.291 45.100 -0.029 0.000 0.722 54 G HN 0.342 nan 8.290 nan 0.000 0.709 55 E N 1.915 122.111 120.200 -0.006 0.000 2.855 55 E HA 0.162 4.512 4.350 -0.000 0.000 0.259 55 E C -0.910 175.736 176.600 0.076 0.000 1.390 55 E CA -0.327 56.072 56.400 -0.002 0.000 1.069 55 E CB 0.150 29.842 29.700 -0.013 0.000 1.172 55 E HN 0.439 nan 8.360 nan 0.000 0.668 56 D N -0.828 119.617 120.400 0.075 0.000 2.181 56 D HA 0.196 4.836 4.640 -0.000 0.000 0.248 56 D C 0.873 177.260 176.300 0.144 0.000 1.020 56 D CA -0.736 53.363 54.000 0.166 0.000 0.891 56 D CB 1.909 42.814 40.800 0.175 0.000 1.187 56 D HN 0.302 nan 8.370 nan 0.000 0.443 57 V N -2.401 117.610 119.914 0.162 0.000 3.380 57 V HA 0.347 4.467 4.120 -0.000 0.000 0.307 57 V C -0.354 175.826 176.094 0.144 0.000 1.434 57 V CA -0.150 62.225 62.300 0.125 0.000 1.075 57 V CB -0.145 31.720 31.823 0.069 0.000 0.954 57 V HN 0.650 nan 8.190 nan 0.000 0.444 58 D N 0.451 120.990 120.400 0.232 0.000 2.602 58 D HA 0.117 4.757 4.640 -0.000 0.000 0.215 58 D C -1.288 175.093 176.300 0.134 0.000 1.148 58 D CA -0.148 53.958 54.000 0.176 0.000 0.764 58 D CB 2.058 42.921 40.800 0.105 0.000 2.364 58 D HN 0.470 nan 8.370 nan 0.000 0.484 59 E N 2.352 122.497 120.200 -0.090 0.000 2.259 59 E HA 0.509 4.859 4.350 -0.000 0.000 0.281 59 E C -0.138 176.329 176.600 -0.222 0.000 1.037 59 E CA -0.562 55.474 56.400 -0.607 0.000 0.854 59 E CB 1.089 30.129 29.700 -1.100 0.000 1.051 59 E HN 0.331 nan 8.360 nan 0.000 0.409 60 V N 0.995 120.789 119.914 -0.200 0.000 3.156 60 V HA 0.712 4.832 4.120 -0.000 0.000 0.310 60 V C -1.031 175.044 176.094 -0.033 0.000 1.234 60 V CA -0.863 61.380 62.300 -0.095 0.000 1.065 60 V CB 2.022 33.815 31.823 -0.050 0.000 1.088 60 V HN 0.389 nan 8.190 nan 0.000 0.451 61 V N 1.491 121.362 119.914 -0.072 0.000 2.577 61 V HA 0.735 4.855 4.120 -0.000 0.000 0.303 61 V C -0.271 175.757 176.094 -0.111 0.000 1.042 61 V CA -0.031 62.229 62.300 -0.066 0.000 0.872 61 V CB 1.575 33.328 31.823 -0.117 0.000 0.998 61 V HN 1.171 nan 8.190 nan 0.000 0.423 62 V N 3.265 123.102 119.914 -0.129 0.000 2.960 62 V HA 0.949 5.069 4.120 -0.000 0.000 0.315 62 V C -0.706 175.187 176.094 -0.335 0.000 1.087 62 V CA -0.835 61.302 62.300 -0.272 0.000 0.982 62 V CB 2.118 33.725 31.823 -0.360 0.000 1.039 62 V HN 0.491 nan 8.190 nan 0.000 0.437 63 V N 1.686 121.291 119.914 -0.515 0.000 2.841 63 V HA 0.652 4.772 4.120 -0.000 0.000 0.310 63 V C -1.144 174.494 176.094 -0.760 0.000 1.090 63 V CA -0.289 61.727 62.300 -0.473 0.000 0.930 63 V CB 1.914 33.559 31.823 -0.296 0.000 1.014 63 V HN 0.823 nan 8.190 nan 0.000 0.425 64 F N 2.313 121.957 119.950 -0.510 0.000 2.546 64 F HA 0.746 5.273 4.527 -0.000 0.000 0.320 64 F C -0.752 174.739 175.800 -0.514 0.000 1.076 64 F CA -0.726 56.932 58.000 -0.569 0.000 0.928 64 F CB 1.903 40.295 39.000 -1.012 0.000 1.189 64 F HN 0.329 nan 8.300 nan 0.000 0.465 65 Y N 0.928 121.397 120.300 0.282 0.000 2.361 65 Y HA 0.437 4.987 4.550 -0.000 0.000 0.337 65 Y C -0.348 175.874 175.900 0.538 0.000 0.965 65 Y CA -1.274 57.028 58.100 0.337 0.000 1.091 65 Y CB 1.908 40.498 38.460 0.217 0.000 1.182 65 Y HN 0.338 nan 8.280 nan 0.000 0.450 66 K N 1.471 122.194 120.400 0.538 0.000 2.276 66 K HA 0.230 4.549 4.320 -0.000 0.000 0.285 66 K C 1.236 177.966 176.600 0.216 0.000 1.062 66 K CA 0.395 56.886 56.287 0.340 0.000 0.918 66 K CB 1.208 33.831 32.500 0.204 0.000 1.055 66 K HN 0.682 nan 8.250 nan 0.000 0.477 67 S N 5.012 120.792 115.700 0.133 0.000 2.642 67 S HA -0.254 4.216 4.470 -0.000 0.000 0.330 67 S C -1.183 173.466 174.600 0.081 0.000 1.309 67 S CA 2.516 60.767 58.200 0.085 0.000 1.141 67 S CB -0.765 62.441 63.200 0.010 0.000 1.210 67 S HN 0.770 nan 8.310 nan 0.000 0.440 68 P HA 0.027 nan 4.420 nan 0.000 0.208 68 P C 0.014 177.368 177.300 0.091 0.000 1.200 68 P CA 0.947 64.083 63.100 0.061 0.000 0.924 68 P CB -0.029 31.701 31.700 0.050 0.000 0.774 69 K N 0.565 121.044 120.400 0.130 0.000 2.307 69 K HA 0.314 4.634 4.320 -0.000 0.000 0.285 69 K C 0.133 176.878 176.600 0.241 0.000 1.073 69 K CA 0.245 56.635 56.287 0.171 0.000 0.996 69 K CB -0.941 31.675 32.500 0.194 0.000 0.994 69 K HN 0.143 nan 8.250 nan 0.000 0.452 70 S N 2.293 118.076 115.700 0.138 0.000 2.669 70 S HA 0.158 4.628 4.470 -0.000 0.000 0.266 70 S C -0.366 174.237 174.600 0.005 0.000 1.149 70 S CA -0.791 57.434 58.200 0.043 0.000 0.842 70 S CB -0.220 63.049 63.200 0.115 0.000 1.160 70 S HN 0.426 nan 8.310 nan 0.000 0.487 71 Y N 1.420 121.628 120.300 -0.154 0.000 2.230 71 Y HA 0.115 4.665 4.550 -0.000 0.000 0.294 71 Y C 2.708 178.605 175.900 -0.004 0.000 1.120 71 Y CA 2.749 60.801 58.100 -0.080 0.000 1.129 71 Y CB -0.654 37.741 38.460 -0.107 0.000 1.040 71 Y HN 0.864 nan 8.280 nan 0.000 0.519 72 T N -3.064 111.507 114.554 0.028 0.000 3.055 72 T HA 0.225 4.575 4.350 -0.000 0.000 0.265 72 T C 1.704 176.364 174.700 -0.066 0.000 1.111 72 T CA 0.862 62.930 62.100 -0.053 0.000 1.118 72 T CB -0.467 68.440 68.868 0.064 0.000 0.909 72 T HN 0.742 nan 8.240 nan 0.000 0.501 73 G N 1.579 110.367 108.800 -0.020 0.000 2.176 73 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.232 73 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.232 73 G C -0.080 174.831 174.900 0.019 0.000 0.986 73 G CA 0.246 45.339 45.100 -0.011 0.000 0.643 73 G HN 0.923 nan 8.290 nan 0.000 0.522 74 E N -0.280 119.946 120.200 0.044 0.000 2.518 74 E HA 0.600 4.950 4.350 -0.000 0.000 0.241 74 E C -1.286 175.393 176.600 0.133 0.000 0.899 74 E CA -1.037 55.397 56.400 0.058 0.000 0.888 74 E CB 0.793 30.509 29.700 0.027 0.000 1.426 74 E HN -0.042 nan 8.360 nan 0.000 0.401 75 D N 0.633 121.123 120.400 0.150 0.000 2.383 75 D HA 0.238 4.878 4.640 -0.000 0.000 0.252 75 D C -0.331 176.185 176.300 0.361 0.000 1.166 75 D CA 0.569 54.744 54.000 0.293 0.000 0.879 75 D CB 0.687 41.626 40.800 0.232 0.000 1.164 75 D HN 0.283 nan 8.370 nan 0.000 0.462 76 M N 1.320 121.201 119.600 0.467 0.000 2.644 76 M HA 0.505 4.985 4.480 -0.000 0.000 0.304 76 M C -0.868 175.643 176.300 0.352 0.000 1.215 76 M CA -1.205 54.315 55.300 0.367 0.000 0.871 76 M CB 3.050 35.803 32.600 0.254 0.000 1.740 76 M HN 0.044 nan 8.290 nan 0.000 0.464 77 V N 2.757 122.755 119.914 0.140 0.000 2.719 77 V HA 0.318 4.437 4.120 -0.000 0.000 0.289 77 V C -1.589 174.382 176.094 -0.205 0.000 1.167 77 V CA -0.362 61.848 62.300 -0.150 0.000 0.929 77 V CB 1.968 33.592 31.823 -0.333 0.000 1.050 77 V HN 0.930 nan 8.190 nan 0.000 0.448 78 E N 6.058 126.140 120.200 -0.198 0.000 2.156 78 E HA 0.681 5.031 4.350 -0.000 0.000 0.279 78 E C -1.031 175.418 176.600 -0.252 0.000 0.965 78 E CA -0.853 55.430 56.400 -0.195 0.000 0.789 78 E CB 2.385 32.016 29.700 -0.115 0.000 1.098 78 E HN 0.418 nan 8.360 nan 0.000 0.397 79 V N 4.556 124.340 119.914 -0.218 0.000 2.370 79 V HA 0.253 4.373 4.120 -0.000 0.000 0.283 79 V C -0.070 175.957 176.094 -0.112 0.000 1.023 79 V CA -0.593 61.612 62.300 -0.158 0.000 0.857 79 V CB 0.923 32.702 31.823 -0.073 0.000 0.985 79 V HN 0.755 nan 8.190 nan 0.000 0.443 80 M N 5.947 125.480 119.600 -0.112 0.000 2.103 80 M HA 0.398 4.878 4.480 -0.000 0.000 0.350 80 M C 0.017 176.255 176.300 -0.104 0.000 1.100 80 M CA -0.278 54.957 55.300 -0.109 0.000 1.042 80 M CB 0.800 33.324 32.600 -0.128 0.000 1.368 80 M HN 0.849 nan 8.290 nan 0.000 0.404 81 C N -0.223 119.035 119.300 -0.069 0.000 2.589 81 C HA 0.654 5.114 4.460 -0.000 0.000 0.409 81 C C 0.603 175.543 174.990 -0.084 0.000 1.851 81 C CA -0.852 58.142 59.018 -0.040 0.000 1.823 81 C CB 0.314 28.075 27.740 0.035 0.000 1.985 81 C HN 0.712 nan 8.230 nan 0.000 0.472 82 H N -0.485 118.558 119.070 -0.044 0.000 2.547 82 H HA 0.501 5.057 4.556 -0.000 0.000 0.362 82 H C 1.151 176.463 175.328 -0.026 0.000 1.181 82 H CA 1.520 57.545 56.048 -0.038 0.000 1.376 82 H CB 0.557 30.302 29.762 -0.028 0.000 1.488 82 H HN 0.993 nan 8.280 nan 0.000 0.583 83 G N 0.219 109.070 108.800 0.085 0.000 2.522 83 G HA2 0.351 4.311 3.960 -0.000 0.000 0.223 83 G HA3 0.351 4.311 3.960 -0.000 0.000 0.223 83 G C -0.004 174.928 174.900 0.053 0.000 1.565 83 G CA -0.157 44.969 45.100 0.043 0.000 1.053 83 G HN 0.997 nan 8.290 nan 0.000 0.547 84 G N -1.273 107.547 108.800 0.033 0.000 3.414 84 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.504 84 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.504 84 G C -1.288 173.625 174.900 0.023 0.000 0.936 84 G CA 0.076 45.193 45.100 0.027 0.000 0.748 84 G HN 0.464 nan 8.290 nan 0.000 0.408 85 P HA -0.130 nan 4.420 nan 0.000 0.223 85 P C 1.973 179.283 177.300 0.018 0.000 1.140 85 P CA 0.487 63.597 63.100 0.016 0.000 0.783 85 P CB 0.260 31.968 31.700 0.013 0.000 0.759 86 L N -0.857 120.376 121.223 0.017 0.000 2.068 86 L HA -0.070 4.270 4.340 -0.000 0.000 0.204 86 L C 1.997 178.878 176.870 0.017 0.000 1.076 86 L CA 1.823 56.672 54.840 0.015 0.000 0.753 86 L CB -0.936 41.130 42.059 0.011 0.000 0.910 86 L HN -0.084 nan 8.230 nan 0.000 0.439 87 V N 0.029 119.956 119.914 0.022 0.000 2.270 87 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 87 V C 2.802 178.915 176.094 0.032 0.000 1.043 87 V CA 1.552 63.869 62.300 0.028 0.000 1.014 87 V CB -1.170 30.678 31.823 0.041 0.000 0.645 87 V HN 0.407 nan 8.190 nan 0.000 0.447 88 V N -0.796 119.140 119.914 0.037 0.000 2.255 88 V HA -0.259 3.860 4.120 -0.000 0.000 0.247 88 V C 2.330 178.451 176.094 0.045 0.000 1.051 88 V CA 2.204 64.530 62.300 0.042 0.000 1.018 88 V CB -1.113 30.729 31.823 0.031 0.000 0.641 88 V HN 0.370 nan 8.190 nan 0.000 0.445 89 K N 0.522 120.942 120.400 0.033 0.000 2.519 89 K HA -0.030 4.290 4.320 -0.000 0.000 0.196 89 K C 1.934 178.549 176.600 0.025 0.000 1.041 89 K CA 1.411 57.717 56.287 0.032 0.000 0.954 89 K CB -0.394 32.120 32.500 0.024 0.000 0.774 89 K HN 0.723 nan 8.250 nan 0.000 0.480 90 K N -0.213 120.197 120.400 0.016 0.000 2.063 90 K HA 0.057 4.377 4.320 -0.000 0.000 0.204 90 K C 1.528 178.103 176.600 -0.041 0.000 1.039 90 K CA 0.503 56.785 56.287 -0.009 0.000 0.957 90 K CB -0.026 32.469 32.500 -0.008 0.000 0.764 90 K HN -0.117 nan 8.250 nan 0.000 0.447 91 L N 1.367 122.572 121.223 -0.031 0.000 2.042 91 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 91 L C 2.325 179.194 176.870 -0.003 0.000 1.076 91 L CA 1.109 55.888 54.840 -0.101 0.000 0.749 91 L CB -0.697 41.400 42.059 0.064 0.000 0.893 91 L HN 0.240 nan 8.230 nan 0.000 0.432 92 L N -0.415 120.906 121.223 0.164 0.000 2.042 92 L HA -0.259 4.080 4.340 -0.000 0.000 0.210 92 L C 2.008 178.970 176.870 0.152 0.000 1.076 92 L CA 1.872 56.863 54.840 0.251 0.000 0.749 92 L CB -0.617 41.525 42.059 0.139 0.000 0.893 92 L HN 0.238 nan 8.230 nan 0.000 0.432 93 D N -0.858 119.567 120.400 0.042 0.000 2.117 93 D HA -0.204 4.436 4.640 -0.000 0.000 0.197 93 D C 2.071 178.340 176.300 -0.051 0.000 0.987 93 D CA 1.459 55.463 54.000 0.007 0.000 0.829 93 D CB -0.299 40.496 40.800 -0.008 0.000 0.961 93 D HN 0.323 nan 8.370 nan 0.000 0.460 94 L N -0.471 120.638 121.223 -0.189 0.000 2.191 94 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 94 L C 1.581 178.220 176.870 -0.386 0.000 1.103 94 L CA 1.526 56.149 54.840 -0.362 0.000 0.769 94 L CB -0.383 41.296 42.059 -0.633 0.000 0.908 94 L HN -0.077 nan 8.230 nan 0.000 0.438 95 F N -1.062 118.837 119.950 -0.085 0.000 2.179 95 F HA 0.028 4.555 4.527 -0.000 0.000 0.292 95 F C 2.202 178.003 175.800 0.002 0.000 1.089 95 F CA 0.834 58.807 58.000 -0.045 0.000 1.295 95 F CB -0.789 38.194 39.000 -0.027 0.000 1.041 95 F HN -0.105 nan 8.300 nan 0.000 0.487 96 L N -0.055 121.284 121.223 0.192 0.000 2.129 96 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 96 L C 2.068 178.993 176.870 0.092 0.000 1.087 96 L CA 1.529 56.443 54.840 0.123 0.000 0.757 96 L CB -0.471 41.642 42.059 0.089 0.000 0.896 96 L HN 0.133 nan 8.230 nan 0.000 0.434 97 K N -1.628 118.816 120.400 0.074 0.000 2.361 97 K HA 0.048 4.367 4.320 -0.000 0.000 0.194 97 K C 1.815 178.467 176.600 0.086 0.000 1.032 97 K CA 0.210 56.535 56.287 0.064 0.000 1.048 97 K CB 0.545 33.071 32.500 0.043 0.000 0.842 97 K HN 0.002 nan 8.250 nan 0.000 0.526 98 S N -0.584 115.183 115.700 0.111 0.000 2.575 98 S HA 0.143 4.613 4.470 -0.000 0.000 0.215 98 S C 0.962 175.665 174.600 0.172 0.000 0.966 98 S CA 0.714 59.012 58.200 0.163 0.000 0.911 98 S CB 0.293 63.617 63.200 0.208 0.000 0.780 98 S HN 0.545 nan 8.310 nan 0.000 0.514 99 G N 0.470 109.355 108.800 0.141 0.000 3.465 99 G HA2 0.029 3.989 3.960 -0.000 0.000 0.196 99 G HA3 0.029 3.989 3.960 -0.000 0.000 0.196 99 G C 0.384 175.349 174.900 0.107 0.000 1.170 99 G CA -0.043 45.131 45.100 0.122 0.000 0.887 99 G HN 0.783 nan 8.290 nan 0.000 0.444 100 A N 0.464 123.362 122.820 0.130 0.000 2.433 100 A HA 0.651 4.971 4.320 -0.000 0.000 0.250 100 A C 0.637 178.265 177.584 0.072 0.000 1.113 100 A CA 1.465 53.559 52.037 0.095 0.000 0.794 100 A CB 0.199 19.259 19.000 0.100 0.000 1.067 100 A HN 1.080 nan 8.150 nan 0.000 0.510 101 R N 0.386 120.914 120.500 0.046 0.000 2.604 101 R HA 0.381 4.721 4.340 -0.000 0.000 0.281 101 R C -0.893 175.425 176.300 0.029 0.000 1.020 101 R CA -0.836 55.284 56.100 0.033 0.000 0.899 101 R CB 0.904 31.211 30.300 0.012 0.000 1.205 101 R HN 0.739 nan 8.270 nan 0.000 0.450 102 M N 3.229 122.852 119.600 0.038 0.000 2.408 102 M HA 0.037 4.517 4.480 -0.000 0.000 0.363 102 M C 0.211 176.528 176.300 0.028 0.000 1.636 102 M CA 0.562 55.889 55.300 0.044 0.000 1.029 102 M CB 0.102 32.728 32.600 0.043 0.000 2.068 102 M HN 0.731 nan 8.290 nan 0.000 0.466 103 A N 5.567 128.418 122.820 0.051 0.000 2.483 103 A HA 0.171 4.491 4.320 -0.000 0.000 0.238 103 A C 0.409 178.012 177.584 0.032 0.000 1.070 103 A CA -0.137 51.916 52.037 0.027 0.000 0.770 103 A CB 0.262 19.361 19.000 0.166 0.000 1.008 103 A HN 0.802 nan 8.150 nan 0.000 0.497 104 E N 1.255 121.447 120.200 -0.014 0.000 2.280 104 E HA 0.317 4.667 4.350 -0.000 0.000 0.261 104 E C -2.475 174.145 176.600 0.032 0.000 1.088 104 E CA -1.921 54.478 56.400 -0.001 0.000 0.915 104 E CB 0.205 29.880 29.700 -0.042 0.000 1.141 104 E HN 0.376 nan 8.360 nan 0.000 0.433 105 P HA 0.007 nan 4.420 nan 0.000 0.265 105 P C 0.250 177.590 177.300 0.067 0.000 1.222 105 P CA 0.994 64.156 63.100 0.103 0.000 0.767 105 P CB 0.222 31.993 31.700 0.117 0.000 0.801 106 G N 3.229 112.096 108.800 0.111 0.000 2.155 106 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.257 106 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.257 106 G C 1.038 175.761 174.900 -0.295 0.000 0.983 106 G CA 0.386 45.428 45.100 -0.096 0.000 0.676 106 G HN 0.554 nan 8.290 nan 0.000 0.528 107 E N -1.015 119.083 120.200 -0.171 0.000 2.268 107 E HA 0.012 4.362 4.350 -0.000 0.000 0.195 107 E C 1.872 178.297 176.600 -0.291 0.000 0.995 107 E CA 0.692 56.917 56.400 -0.291 0.000 0.836 107 E CB -0.121 29.432 29.700 -0.245 0.000 0.763 107 E HN 0.639 nan 8.360 nan 0.000 0.491 108 F N 0.141 120.038 119.950 -0.088 0.000 2.094 108 F HA -0.100 4.427 4.527 -0.000 0.000 0.291 108 F C 2.626 178.467 175.800 0.068 0.000 1.109 108 F CA 1.434 59.452 58.000 0.029 0.000 1.221 108 F CB -0.553 38.510 39.000 0.105 0.000 1.014 108 F HN -0.027 nan 8.300 nan 0.000 0.473 109 T N -0.127 114.609 114.554 0.302 0.000 2.759 109 T HA -0.239 4.111 4.350 -0.000 0.000 0.269 109 T C 1.948 176.591 174.700 -0.096 0.000 1.042 109 T CA 1.557 63.796 62.100 0.231 0.000 1.140 109 T CB -0.245 68.868 68.868 0.408 0.000 0.864 109 T HN 0.108 nan 8.240 nan 0.000 0.455 110 K N 0.893 120.988 120.400 -0.508 0.000 1.991 110 K HA -0.093 4.227 4.320 -0.000 0.000 0.212 110 K C 2.487 178.918 176.600 -0.281 0.000 1.049 110 K CA 1.303 57.143 56.287 -0.746 0.000 0.932 110 K CB -0.070 31.773 32.500 -1.094 0.000 0.717 110 K HN 0.165 nan 8.250 nan 0.000 0.441 111 R N -0.068 120.280 120.500 -0.254 0.000 2.117 111 R HA -0.163 4.177 4.340 -0.000 0.000 0.243 111 R C 2.352 178.570 176.300 -0.137 0.000 1.143 111 R CA 1.254 57.247 56.100 -0.178 0.000 0.968 111 R CB -0.439 29.751 30.300 -0.183 0.000 0.863 111 R HN 0.320 nan 8.270 nan 0.000 0.444 112 A N 0.849 123.583 122.820 -0.144 0.000 1.933 112 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 112 A C 1.899 179.433 177.584 -0.084 0.000 1.175 112 A CA 1.106 53.023 52.037 -0.201 0.000 0.628 112 A CB -0.541 18.183 19.000 -0.460 0.000 0.814 112 A HN 0.368 nan 8.150 nan 0.000 0.444 113 F N 0.404 120.259 119.950 -0.158 0.000 2.060 113 F HA -0.111 4.416 4.527 -0.000 0.000 0.295 113 F C 1.780 177.529 175.800 -0.084 0.000 1.120 113 F CA 1.443 59.389 58.000 -0.091 0.000 1.205 113 F CB -0.529 38.438 39.000 -0.055 0.000 0.986 113 F HN 0.125 nan 8.300 nan 0.000 0.470 114 L N 0.954 121.985 121.223 -0.319 0.000 2.043 114 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 114 L C 1.538 178.255 176.870 -0.254 0.000 1.075 114 L CA 1.709 56.342 54.840 -0.345 0.000 0.752 114 L CB -1.734 40.229 42.059 -0.160 0.000 0.891 114 L HN 0.193 nan 8.230 nan 0.000 0.432 115 N N 0.107 118.698 118.700 -0.181 0.000 2.421 115 N HA 0.200 4.940 4.740 -0.000 0.000 0.201 115 N C 0.611 176.039 175.510 -0.136 0.000 1.198 115 N CA 0.656 53.626 53.050 -0.133 0.000 0.838 115 N CB -0.234 38.193 38.487 -0.099 0.000 1.011 115 N HN 0.315 nan 8.380 nan 0.000 0.463 116 G N 1.327 110.007 108.800 -0.199 0.000 2.247 116 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 116 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 116 G C 0.705 175.553 174.900 -0.087 0.000 0.852 116 G CA 0.194 45.198 45.100 -0.161 0.000 1.281 116 G HN 0.235 nan 8.290 nan 0.000 0.378 117 K N 0.300 120.659 120.400 -0.069 0.000 2.412 117 K HA 0.269 4.588 4.320 -0.000 0.000 0.202 117 K C 1.117 177.711 176.600 -0.010 0.000 1.102 117 K CA 1.226 57.479 56.287 -0.057 0.000 1.027 117 K CB 0.455 32.880 32.500 -0.125 0.000 0.931 117 K HN 0.994 nan 8.250 nan 0.000 0.557 118 M N -0.282 119.345 119.600 0.044 0.000 2.660 118 M HA 0.259 4.739 4.480 -0.000 0.000 0.281 118 M C -1.419 175.011 176.300 0.218 0.000 1.131 118 M CA -0.922 54.439 55.300 0.103 0.000 0.858 118 M CB 1.638 34.294 32.600 0.093 0.000 1.732 118 M HN -0.136 nan 8.290 nan 0.000 0.516 119 D N 2.037 122.557 120.400 0.199 0.000 2.325 119 D HA 0.113 4.753 4.640 -0.000 0.000 0.262 119 D C 0.240 176.704 176.300 0.273 0.000 1.263 119 D CA -0.434 53.737 54.000 0.285 0.000 1.020 119 D CB 0.928 41.836 40.800 0.180 0.000 1.117 119 D HN 0.850 nan 8.370 nan 0.000 0.545 120 L N -0.572 120.741 121.223 0.151 0.000 2.375 120 L HA -0.102 4.237 4.340 -0.000 0.000 0.215 120 L C 2.455 179.277 176.870 -0.081 0.000 1.108 120 L CA 1.312 56.059 54.840 -0.154 0.000 0.830 120 L CB -0.384 41.543 42.059 -0.219 0.000 0.959 120 L HN 0.642 nan 8.230 nan 0.000 0.457 121 T N -3.842 110.714 114.554 0.004 0.000 2.951 121 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 121 T C 1.955 176.661 174.700 0.010 0.000 1.073 121 T CA 1.115 63.216 62.100 0.000 0.000 1.134 121 T CB -0.296 68.588 68.868 0.028 0.000 0.884 121 T HN 0.456 nan 8.240 nan 0.000 0.479 122 S N 1.700 117.424 115.700 0.041 0.000 2.425 122 S HA 0.350 4.820 4.470 -0.000 0.000 0.225 122 S C 2.449 177.096 174.600 0.079 0.000 1.024 122 S CA 0.423 58.657 58.200 0.057 0.000 0.951 122 S CB -0.699 62.547 63.200 0.077 0.000 0.796 122 S HN 0.666 nan 8.310 nan 0.000 0.498 123 A N 2.261 125.132 122.820 0.086 0.000 1.902 123 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 123 A C 2.088 179.766 177.584 0.157 0.000 1.181 123 A CA 1.509 53.645 52.037 0.165 0.000 0.623 123 A CB -0.773 18.302 19.000 0.125 0.000 0.818 123 A HN 0.640 nan 8.150 nan 0.000 0.443 124 E N -0.220 119.987 120.200 0.012 0.000 2.265 124 E HA -0.045 4.305 4.350 -0.000 0.000 0.196 124 E C 2.022 178.583 176.600 -0.066 0.000 0.996 124 E CA 0.738 57.112 56.400 -0.045 0.000 0.832 124 E CB -0.225 29.418 29.700 -0.096 0.000 0.756 124 E HN 0.640 nan 8.360 nan 0.000 0.491 125 A N 0.624 123.429 122.820 -0.024 0.000 2.067 125 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 125 A C 2.362 179.923 177.584 -0.038 0.000 1.156 125 A CA 0.448 52.464 52.037 -0.035 0.000 0.683 125 A CB -0.172 18.823 19.000 -0.008 0.000 0.808 125 A HN 0.096 nan 8.150 nan 0.000 0.455 126 V N 0.407 120.325 119.914 0.007 0.000 2.295 126 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 126 V C 2.696 178.714 176.094 -0.127 0.000 1.049 126 V CA 2.296 64.608 62.300 0.020 0.000 1.024 126 V CB -0.751 31.182 31.823 0.182 0.000 0.648 126 V HN 0.683 nan 8.190 nan 0.000 0.447 127 R N 0.108 120.408 120.500 -0.333 0.000 2.062 127 R HA -0.174 4.166 4.340 -0.000 0.000 0.231 127 R C 2.054 178.171 176.300 -0.305 0.000 1.136 127 R CA 2.115 57.872 56.100 -0.571 0.000 0.948 127 R CB -0.575 29.049 30.300 -1.128 0.000 0.845 127 R HN 0.480 nan 8.270 nan 0.000 0.430 128 D N 1.278 121.544 120.400 -0.224 0.000 2.149 128 D HA -0.205 4.435 4.640 -0.000 0.000 0.198 128 D C 1.939 178.174 176.300 -0.108 0.000 0.990 128 D CA 0.938 54.850 54.000 -0.146 0.000 0.839 128 D CB -0.289 40.443 40.800 -0.113 0.000 0.948 128 D HN 0.264 nan 8.370 nan 0.000 0.460 129 L N 0.613 121.780 121.223 -0.093 0.000 1.961 129 L HA -0.164 4.175 4.340 -0.000 0.000 0.210 129 L C 2.378 179.206 176.870 -0.070 0.000 1.072 129 L CA 1.168 55.969 54.840 -0.065 0.000 0.749 129 L CB -0.272 41.760 42.059 -0.045 0.000 0.889 129 L HN -0.033 nan 8.230 nan 0.000 0.432 130 I N -0.189 120.330 120.570 -0.084 0.000 2.399 130 I HA -0.309 3.860 4.170 -0.000 0.000 0.254 130 I C 1.641 177.711 176.117 -0.079 0.000 1.146 130 I CA 1.312 62.564 61.300 -0.079 0.000 1.412 130 I CB -0.265 37.681 38.000 -0.089 0.000 1.076 130 I HN 0.425 nan 8.210 nan 0.000 0.432 131 E N 0.831 120.975 120.200 -0.093 0.000 2.463 131 E HA 0.231 4.581 4.350 -0.000 0.000 0.193 131 E C 0.613 177.177 176.600 -0.060 0.000 1.041 131 E CA -0.292 56.061 56.400 -0.078 0.000 0.879 131 E CB 0.339 29.982 29.700 -0.096 0.000 0.997 131 E HN 0.354 nan 8.360 nan 0.000 0.478 132 A N 1.663 124.450 122.820 -0.055 0.000 2.522 132 A HA -0.008 4.312 4.320 -0.000 0.000 0.256 132 A C 0.718 178.285 177.584 -0.028 0.000 1.086 132 A CA 0.408 52.420 52.037 -0.042 0.000 0.763 132 A CB 0.190 19.167 19.000 -0.038 0.000 1.024 132 A HN 0.123 nan 8.150 nan 0.000 0.502 133 K N 1.245 121.631 120.400 -0.022 0.000 2.373 133 K HA 0.191 4.511 4.320 -0.000 0.000 0.200 133 K C 0.268 176.870 176.600 0.003 0.000 1.054 133 K CA 0.236 56.518 56.287 -0.009 0.000 1.065 133 K CB 0.690 33.186 32.500 -0.006 0.000 0.886 133 K HN 0.521 nan 8.250 nan 0.000 0.546 134 S N 0.016 115.715 115.700 -0.002 0.000 2.568 134 S HA 0.196 4.666 4.470 -0.000 0.000 0.293 134 S C 0.117 174.726 174.600 0.015 0.000 1.089 134 S CA -0.542 57.666 58.200 0.013 0.000 0.945 134 S CB 1.605 64.806 63.200 0.002 0.000 1.077 134 S HN 0.031 nan 8.310 nan 0.000 0.485 135 E N 0.772 120.993 120.200 0.035 0.000 2.106 135 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 135 E C 2.062 178.683 176.600 0.036 0.000 0.984 135 E CA 1.949 58.371 56.400 0.036 0.000 0.806 135 E CB -0.369 29.362 29.700 0.052 0.000 0.750 135 E HN 0.828 nan 8.360 nan 0.000 0.458 136 T N -1.625 112.961 114.554 0.054 0.000 2.701 136 T HA -0.173 4.177 4.350 -0.000 0.000 0.263 136 T C 2.157 176.840 174.700 -0.029 0.000 1.040 136 T CA 1.418 63.529 62.100 0.018 0.000 1.147 136 T CB -0.761 68.125 68.868 0.029 0.000 0.865 136 T HN 0.099 nan 8.240 nan 0.000 0.426 137 S N 0.900 116.582 115.700 -0.029 0.000 2.407 137 S HA -0.106 4.364 4.470 -0.000 0.000 0.235 137 S C 1.882 176.456 174.600 -0.043 0.000 1.036 137 S CA 1.277 59.450 58.200 -0.046 0.000 1.013 137 S CB -0.693 62.480 63.200 -0.045 0.000 0.820 137 S HN 0.457 nan 8.310 nan 0.000 0.476 138 L N 1.292 122.498 121.223 -0.029 0.000 2.240 138 L HA 0.236 4.576 4.340 -0.000 0.000 0.211 138 L C 2.144 178.998 176.870 -0.027 0.000 1.106 138 L CA 1.683 56.507 54.840 -0.027 0.000 0.793 138 L CB -0.556 41.493 42.059 -0.016 0.000 0.927 138 L HN 0.230 nan 8.230 nan 0.000 0.446 139 K N -0.727 119.656 120.400 -0.028 0.000 2.103 139 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 139 K C 1.993 178.566 176.600 -0.046 0.000 1.052 139 K CA 1.109 57.376 56.287 -0.032 0.000 0.945 139 K CB -0.083 32.396 32.500 -0.035 0.000 0.722 139 K HN 0.367 nan 8.250 nan 0.000 0.443 140 L N 0.571 121.758 121.223 -0.059 0.000 2.141 140 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 140 L C 2.082 178.921 176.870 -0.052 0.000 1.094 140 L CA 1.043 55.843 54.840 -0.066 0.000 0.763 140 L CB -0.117 41.895 42.059 -0.079 0.000 0.908 140 L HN 0.170 nan 8.230 nan 0.000 0.437 141 S N -0.746 114.927 115.700 -0.045 0.000 2.456 141 S HA 0.034 4.504 4.470 -0.000 0.000 0.224 141 S C 1.775 176.361 174.600 -0.022 0.000 1.035 141 S CA 0.026 58.204 58.200 -0.038 0.000 0.940 141 S CB 0.090 63.263 63.200 -0.046 0.000 0.799 141 S HN 0.249 nan 8.310 nan 0.000 0.508 142 L N 1.950 123.161 121.223 -0.020 0.000 2.275 142 L HA 0.058 4.398 4.340 -0.000 0.000 0.215 142 L C 2.244 179.111 176.870 -0.005 0.000 1.119 142 L CA 1.385 56.219 54.840 -0.009 0.000 0.790 142 L CB -0.509 41.544 42.059 -0.010 0.000 0.919 142 L HN 0.271 nan 8.230 nan 0.000 0.443 143 R N -0.151 120.341 120.500 -0.013 0.000 2.057 143 R HA -0.081 4.258 4.340 -0.000 0.000 0.224 143 R C 1.965 178.264 176.300 -0.002 0.000 1.136 143 R CA 1.572 57.666 56.100 -0.011 0.000 0.968 143 R CB -0.074 30.210 30.300 -0.026 0.000 0.863 143 R HN 0.406 nan 8.270 nan 0.000 0.433 144 N N 0.337 119.033 118.700 -0.007 0.000 2.223 144 N HA -0.146 4.594 4.740 -0.000 0.000 0.185 144 N C 1.756 177.278 175.510 0.020 0.000 1.016 144 N CA 0.663 53.715 53.050 0.004 0.000 0.863 144 N CB 0.002 38.484 38.487 -0.007 0.000 0.983 144 N HN 0.194 nan 8.380 nan 0.000 0.429 145 L N 1.188 122.422 121.223 0.018 0.000 2.191 145 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 145 L C 1.881 178.776 176.870 0.040 0.000 1.103 145 L CA 1.246 56.106 54.840 0.035 0.000 0.769 145 L CB 0.039 42.116 42.059 0.031 0.000 0.908 145 L HN 0.084 nan 8.230 nan 0.000 0.438 146 K N -1.000 119.419 120.400 0.031 0.000 2.379 146 K HA 0.105 4.425 4.320 -0.000 0.000 0.194 146 K C 0.994 177.617 176.600 0.038 0.000 1.031 146 K CA 0.646 56.953 56.287 0.033 0.000 1.037 146 K CB 0.475 32.990 32.500 0.025 0.000 0.824 146 K HN 0.486 nan 8.250 nan 0.000 0.516 147 G N -0.307 108.517 108.800 0.040 0.000 2.175 147 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.182 147 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.182 147 G C 0.813 175.745 174.900 0.053 0.000 1.003 147 G CA 0.033 45.163 45.100 0.049 0.000 0.666 147 G HN 0.378 nan 8.290 nan 0.000 0.506 148 G N 0.546 109.369 108.800 0.039 0.000 2.513 148 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.219 148 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.219 148 G C 1.702 176.640 174.900 0.064 0.000 1.160 148 G CA 1.474 46.596 45.100 0.037 0.000 0.767 148 G HN 0.822 nan 8.290 nan 0.000 0.571 149 L N -0.182 121.076 121.223 0.059 0.000 2.162 149 L HA 0.170 4.510 4.340 -0.000 0.000 0.205 149 L C 2.870 179.834 176.870 0.156 0.000 1.086 149 L CA 0.736 55.637 54.840 0.101 0.000 0.778 149 L CB -0.245 41.848 42.059 0.057 0.000 0.928 149 L HN 0.219 nan 8.230 nan 0.000 0.446 150 R N -0.067 120.496 120.500 0.106 0.000 2.193 150 R HA -0.178 4.162 4.340 -0.000 0.000 0.229 150 R C 1.248 177.605 176.300 0.096 0.000 1.110 150 R CA 1.630 57.789 56.100 0.098 0.000 0.988 150 R CB -0.071 30.278 30.300 0.082 0.000 0.871 150 R HN 0.441 nan 8.270 nan 0.000 0.458 151 D N -0.490 119.976 120.400 0.109 0.000 2.240 151 D HA -0.098 4.542 4.640 -0.000 0.000 0.206 151 D C 1.402 177.775 176.300 0.122 0.000 0.963 151 D CA 0.587 54.644 54.000 0.095 0.000 0.863 151 D CB -0.288 40.564 40.800 0.086 0.000 0.973 151 D HN 0.170 nan 8.370 nan 0.000 0.501 152 F N 1.676 121.633 119.950 0.011 0.000 2.113 152 F HA -0.178 4.349 4.527 -0.000 0.000 0.297 152 F C 2.057 177.864 175.800 0.012 0.000 1.103 152 F CA 1.038 59.044 58.000 0.009 0.000 1.248 152 F CB -0.313 38.690 39.000 0.005 0.000 0.999 152 F HN -0.239 nan 8.300 nan 0.000 0.475 153 V N 0.563 120.503 119.914 0.044 0.000 2.343 153 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 153 V C 1.996 178.032 176.094 -0.098 0.000 1.051 153 V CA 2.255 64.515 62.300 -0.067 0.000 1.036 153 V CB -0.752 31.108 31.823 0.063 0.000 0.654 153 V HN 0.259 nan 8.190 nan 0.000 0.451 154 D N 0.199 120.578 120.400 -0.034 0.000 2.178 154 D HA -0.118 4.522 4.640 -0.000 0.000 0.202 154 D C 2.401 178.662 176.300 -0.065 0.000 0.974 154 D CA 1.605 55.586 54.000 -0.032 0.000 0.841 154 D CB -0.226 40.576 40.800 0.003 0.000 0.953 154 D HN 0.592 nan 8.370 nan 0.000 0.478 155 S N -0.414 115.227 115.700 -0.098 0.000 2.428 155 S HA -0.075 4.395 4.470 -0.000 0.000 0.230 155 S C 1.849 176.359 174.600 -0.149 0.000 1.014 155 S CA 0.286 58.425 58.200 -0.102 0.000 0.957 155 S CB -0.186 62.956 63.200 -0.095 0.000 0.784 155 S HN 0.029 nan 8.310 nan 0.000 0.499 156 L N 1.898 122.978 121.223 -0.237 0.000 1.993 156 L HA 0.212 4.552 4.340 -0.000 0.000 0.206 156 L C 2.869 179.666 176.870 -0.121 0.000 1.074 156 L CA 1.602 56.307 54.840 -0.225 0.000 0.746 156 L CB -1.241 40.630 42.059 -0.315 0.000 0.896 156 L HN 0.256 nan 8.230 nan 0.000 0.435 157 R N -0.884 119.558 120.500 -0.097 0.000 2.159 157 R HA -0.250 4.090 4.340 -0.000 0.000 0.252 157 R C 2.365 178.638 176.300 -0.044 0.000 1.144 157 R CA 2.043 58.111 56.100 -0.054 0.000 0.961 157 R CB -0.299 29.980 30.300 -0.035 0.000 0.877 157 R HN 0.341 nan 8.270 nan 0.000 0.444 158 R N 0.111 120.583 120.500 -0.046 0.000 2.080 158 R HA -0.139 4.201 4.340 -0.000 0.000 0.236 158 R C 2.252 178.532 176.300 -0.035 0.000 1.137 158 R CA 1.461 57.541 56.100 -0.034 0.000 0.943 158 R CB -0.318 29.963 30.300 -0.030 0.000 0.846 158 R HN 0.331 nan 8.270 nan 0.000 0.431 159 E N 0.871 121.044 120.200 -0.045 0.000 2.086 159 E HA -0.230 4.120 4.350 -0.000 0.000 0.200 159 E C 2.147 178.727 176.600 -0.033 0.000 1.012 159 E CA 1.225 57.601 56.400 -0.040 0.000 0.812 159 E CB -0.227 29.442 29.700 -0.052 0.000 0.743 159 E HN 0.368 nan 8.360 nan 0.000 0.453 160 L N 0.431 121.632 121.223 -0.037 0.000 2.141 160 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 160 L C 2.577 179.432 176.870 -0.024 0.000 1.094 160 L CA 0.680 55.504 54.840 -0.028 0.000 0.763 160 L CB -0.372 41.671 42.059 -0.028 0.000 0.908 160 L HN 0.133 nan 8.230 nan 0.000 0.437 161 I N -0.066 120.490 120.570 -0.025 0.000 2.179 161 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 161 I C 2.442 178.548 176.117 -0.018 0.000 1.088 161 I CA 1.401 62.688 61.300 -0.021 0.000 1.357 161 I CB -0.182 37.806 38.000 -0.020 0.000 1.051 161 I HN 0.283 nan 8.210 nan 0.000 0.409 162 E N 0.054 120.244 120.200 -0.017 0.000 2.153 162 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 162 E C 2.288 178.881 176.600 -0.012 0.000 0.988 162 E CA 1.138 57.530 56.400 -0.013 0.000 0.811 162 E CB -0.005 29.688 29.700 -0.012 0.000 0.746 162 E HN 0.339 nan 8.360 nan 0.000 0.466 163 V N 1.343 121.249 119.914 -0.014 0.000 2.379 163 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 163 V C 2.251 178.337 176.094 -0.013 0.000 1.044 163 V CA 1.206 63.499 62.300 -0.012 0.000 1.036 163 V CB -0.303 31.512 31.823 -0.012 0.000 0.664 163 V HN 0.245 nan 8.190 nan 0.000 0.453 164 L N 0.050 121.263 121.223 -0.017 0.000 2.191 164 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 164 L C 2.632 179.490 176.870 -0.021 0.000 1.103 164 L CA 1.305 56.133 54.840 -0.020 0.000 0.769 164 L CB -0.621 41.424 42.059 -0.024 0.000 0.908 164 L HN 0.365 nan 8.230 nan 0.000 0.438 165 A N -0.289 122.521 122.820 -0.018 0.000 1.898 165 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 165 A C 2.265 179.842 177.584 -0.012 0.000 1.181 165 A CA 1.723 53.750 52.037 -0.017 0.000 0.620 165 A CB -0.398 18.595 19.000 -0.012 0.000 0.819 165 A HN 0.450 nan 8.150 nan 0.000 0.442 166 E N -0.291 119.905 120.200 -0.007 0.000 2.072 166 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 166 E C 1.849 178.447 176.600 -0.003 0.000 0.985 166 E CA 0.986 57.385 56.400 -0.001 0.000 0.801 166 E CB -0.181 29.519 29.700 0.001 0.000 0.750 166 E HN 0.616 nan 8.360 nan 0.000 0.452 167 I N 0.736 121.301 120.570 -0.008 0.000 2.394 167 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 167 I C 2.675 178.780 176.117 -0.020 0.000 1.136 167 I CA 0.958 62.252 61.300 -0.011 0.000 1.425 167 I CB -0.171 37.822 38.000 -0.012 0.000 1.079 167 I HN 0.116 nan 8.210 nan 0.000 0.425 168 R N 0.861 121.344 120.500 -0.028 0.000 2.148 168 R HA -0.088 4.252 4.340 -0.000 0.000 0.223 168 R C 2.009 178.270 176.300 -0.065 0.000 1.088 168 R CA 0.967 57.039 56.100 -0.047 0.000 0.985 168 R CB -0.303 29.966 30.300 -0.051 0.000 0.880 168 R HN 0.088 nan 8.270 nan 0.000 0.451 169 V N 1.465 121.355 119.914 -0.041 0.000 2.380 169 V HA -0.246 3.874 4.120 -0.000 0.000 0.251 169 V C 2.250 178.327 176.094 -0.029 0.000 1.063 169 V CA 2.304 64.584 62.300 -0.033 0.000 1.055 169 V CB -0.605 31.240 31.823 0.037 0.000 0.657 169 V HN 0.525 nan 8.190 nan 0.000 0.455 170 E N -0.640 119.557 120.200 -0.005 0.000 2.482 170 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 170 E C 1.758 178.344 176.600 -0.024 0.000 1.047 170 E CA 0.238 56.646 56.400 0.013 0.000 0.869 170 E CB 0.153 29.863 29.700 0.017 0.000 0.836 170 E HN 0.478 nan 8.360 nan 0.000 0.520 171 L N 0.648 121.831 121.223 -0.067 0.000 2.554 171 L HA 0.056 4.396 4.340 -0.000 0.000 0.225 171 L C 1.171 177.961 176.870 -0.133 0.000 1.104 171 L CA 0.761 55.554 54.840 -0.077 0.000 0.866 171 L CB 0.533 42.550 42.059 -0.069 0.000 1.047 171 L HN -0.003 nan 8.230 nan 0.000 0.468 172 D N -1.675 118.576 120.400 -0.248 0.000 2.379 172 D HA 0.041 4.681 4.640 -0.000 0.000 0.218 172 D C -0.220 175.804 176.300 -0.461 0.000 1.006 172 D CA 0.672 54.404 54.000 -0.447 0.000 0.893 172 D CB 0.479 40.821 40.800 -0.765 0.000 1.019 172 D HN 0.132 nan 8.370 nan 0.000 0.503 173 Y N 0.193 120.490 120.300 -0.005 0.000 2.837 173 Y HA 0.319 4.869 4.550 -0.000 0.000 0.356 173 Y C -1.860 174.038 175.900 -0.004 0.000 1.035 173 Y CA -2.759 55.338 58.100 -0.004 0.000 1.165 173 Y CB 1.357 39.815 38.460 -0.004 0.000 1.147 173 Y HN -0.120 nan 8.280 nan 0.000 0.628 174 P HA -0.113 nan 4.420 nan 0.000 0.217 174 P C 0.929 178.266 177.300 0.063 0.000 1.151 174 P CA 1.596 64.732 63.100 0.060 0.000 0.828 174 P CB 0.565 32.285 31.700 0.033 0.000 0.788 175 D N -0.230 120.213 120.400 0.073 0.000 2.117 175 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 175 D C 1.549 177.874 176.300 0.041 0.000 0.987 175 D CA 1.203 55.232 54.000 0.049 0.000 0.829 175 D CB -0.070 40.756 40.800 0.044 0.000 0.961 175 D HN 0.404 nan 8.370 nan 0.000 0.460 176 E N 0.891 121.125 120.200 0.057 0.000 2.115 176 E HA 0.123 4.473 4.350 -0.000 0.000 0.213 176 E C 0.759 177.385 176.600 0.044 0.000 0.936 176 E CA -0.453 55.963 56.400 0.028 0.000 0.947 176 E CB -0.063 29.624 29.700 -0.023 0.000 1.169 176 E HN 0.019 nan 8.360 nan 0.000 0.497 177 I N 2.865 123.481 120.570 0.076 0.000 2.775 177 I HA -0.124 4.046 4.170 -0.000 0.000 0.290 177 I C 0.395 176.549 176.117 0.061 0.000 1.203 177 I CA 0.790 62.136 61.300 0.076 0.000 1.433 177 I CB 0.045 38.119 38.000 0.124 0.000 1.354 177 I HN 0.223 nan 8.210 nan 0.000 0.579 178 E N 4.138 124.361 120.200 0.040 0.000 2.246 178 E HA 0.343 4.693 4.350 -0.000 0.000 0.266 178 E C -1.068 175.546 176.600 0.022 0.000 0.880 178 E CA -0.893 55.525 56.400 0.028 0.000 0.762 178 E CB 1.041 30.753 29.700 0.021 0.000 1.180 178 E HN 0.424 nan 8.360 nan 0.000 0.416 179 T N 2.837 117.401 114.554 0.018 0.000 2.905 179 T HA -0.074 4.276 4.350 -0.000 0.000 0.299 179 T C 0.506 175.212 174.700 0.011 0.000 1.024 179 T CA 0.372 62.480 62.100 0.013 0.000 1.151 179 T CB -0.150 68.723 68.868 0.007 0.000 0.987 179 T HN 0.550 nan 8.240 nan 0.000 0.535 180 N N 2.751 121.457 118.700 0.010 0.000 3.178 180 N HA 0.004 4.744 4.740 -0.000 0.000 0.300 180 N C 1.289 176.803 175.510 0.006 0.000 1.242 180 N CA -0.378 52.677 53.050 0.008 0.000 1.192 180 N CB 0.006 38.498 38.487 0.008 0.000 1.463 180 N HN 0.488 nan 8.380 nan 0.000 0.539 181 T N 0.416 114.973 114.554 0.006 0.000 2.755 181 T HA -0.220 4.130 4.350 -0.000 0.000 0.266 181 T C 1.769 176.472 174.700 0.005 0.000 1.041 181 T CA 1.698 63.801 62.100 0.005 0.000 1.147 181 T CB -0.281 68.590 68.868 0.005 0.000 0.847 181 T HN 0.683 nan 8.240 nan 0.000 0.478 182 G N 0.705 109.508 108.800 0.005 0.000 2.414 182 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.215 182 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.215 182 G C 1.430 176.332 174.900 0.004 0.000 1.188 182 G CA 0.584 45.687 45.100 0.004 0.000 0.783 182 G HN 0.493 nan 8.290 nan 0.000 0.537 183 E N -0.280 119.922 120.200 0.004 0.000 2.208 183 E HA -0.025 4.325 4.350 -0.000 0.000 0.193 183 E C 2.716 179.318 176.600 0.003 0.000 0.988 183 E CA 0.347 56.749 56.400 0.004 0.000 0.828 183 E CB 0.053 29.755 29.700 0.004 0.000 0.763 183 E HN 0.285 nan 8.360 nan 0.000 0.478 184 V N 1.000 120.916 119.914 0.003 0.000 2.358 184 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 184 V C 2.471 178.567 176.094 0.002 0.000 1.047 184 V CA 1.722 64.024 62.300 0.002 0.000 1.035 184 V CB -0.221 31.603 31.823 0.002 0.000 0.658 184 V HN 0.305 nan 8.190 nan 0.000 0.452 185 V N -0.606 119.310 119.914 0.003 0.000 2.970 185 V HA -0.135 3.985 4.120 -0.000 0.000 0.260 185 V C 2.435 178.531 176.094 0.004 0.000 1.100 185 V CA 2.014 64.317 62.300 0.004 0.000 1.122 185 V CB -1.325 30.501 31.823 0.005 0.000 0.721 185 V HN 0.703 nan 8.190 nan 0.000 0.483 186 T N -1.403 113.153 114.554 0.004 0.000 2.777 186 T HA -0.215 4.135 4.350 -0.000 0.000 0.266 186 T C 2.083 176.785 174.700 0.004 0.000 1.040 186 T CA 1.630 63.733 62.100 0.004 0.000 1.141 186 T CB -0.550 68.320 68.868 0.004 0.000 0.868 186 T HN 0.514 nan 8.240 nan 0.000 0.444 187 R N 0.604 121.105 120.500 0.002 0.000 2.081 187 R HA 0.089 4.429 4.340 -0.000 0.000 0.235 187 R C 2.593 178.892 176.300 -0.001 0.000 1.131 187 R CA 1.157 57.257 56.100 -0.001 0.000 0.960 187 R CB -0.497 29.801 30.300 -0.003 0.000 0.856 187 R HN 0.446 nan 8.270 nan 0.000 0.436 188 L N 0.380 121.603 121.223 0.000 0.000 2.083 188 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 188 L C 2.193 179.065 176.870 0.004 0.000 1.083 188 L CA 1.528 56.368 54.840 0.001 0.000 0.752 188 L CB -0.338 41.723 42.059 0.004 0.000 0.899 188 L HN 0.293 nan 8.230 nan 0.000 0.433 189 E N -0.450 119.753 120.200 0.005 0.000 2.112 189 E HA -0.191 4.159 4.350 -0.000 0.000 0.190 189 E C 2.221 178.827 176.600 0.010 0.000 0.979 189 E CA 0.452 56.857 56.400 0.008 0.000 0.814 189 E CB -0.002 29.703 29.700 0.008 0.000 0.762 189 E HN 0.335 nan 8.360 nan 0.000 0.460 190 R N 1.149 121.654 120.500 0.008 0.000 2.070 190 R HA -0.132 4.208 4.340 -0.000 0.000 0.233 190 R C 2.312 178.618 176.300 0.010 0.000 1.137 190 R CA 1.252 57.358 56.100 0.010 0.000 0.945 190 R CB -0.210 30.095 30.300 0.007 0.000 0.845 190 R HN 0.117 nan 8.270 nan 0.000 0.430 191 I N 0.867 121.437 120.570 0.000 0.000 2.226 191 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 191 I C 2.561 178.679 176.117 0.002 0.000 1.100 191 I CA 1.336 62.630 61.300 -0.011 0.000 1.374 191 I CB -0.265 37.719 38.000 -0.026 0.000 1.057 191 I HN 0.249 nan 8.210 nan 0.000 0.413 192 K N 0.779 121.185 120.400 0.009 0.000 2.283 192 K HA -0.209 4.111 4.320 -0.000 0.000 0.202 192 K C 2.015 178.634 176.600 0.033 0.000 1.048 192 K CA 1.054 57.353 56.287 0.019 0.000 0.948 192 K CB 0.049 32.558 32.500 0.015 0.000 0.742 192 K HN 0.316 nan 8.250 nan 0.000 0.458 193 E N 0.815 121.034 120.200 0.032 0.000 2.072 193 E HA -0.179 4.171 4.350 -0.000 0.000 0.190 193 E C 1.518 178.156 176.600 0.063 0.000 0.982 193 E CA 1.126 57.549 56.400 0.039 0.000 0.803 193 E CB 0.217 29.935 29.700 0.030 0.000 0.755 193 E HN 0.224 nan 8.360 nan 0.000 0.453 194 K N 0.616 121.065 120.400 0.082 0.000 2.032 194 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 194 K C 2.326 179.075 176.600 0.248 0.000 1.048 194 K CA 1.084 57.464 56.287 0.155 0.000 0.927 194 K CB -0.218 32.372 32.500 0.150 0.000 0.712 194 K HN 0.186 nan 8.250 nan 0.000 0.441 195 L N 1.063 122.411 121.223 0.208 0.000 2.083 195 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 195 L C 1.827 178.789 176.870 0.152 0.000 1.083 195 L CA 1.429 56.422 54.840 0.254 0.000 0.752 195 L CB -0.365 41.771 42.059 0.128 0.000 0.899 195 L HN 0.295 nan 8.230 nan 0.000 0.433 196 T N -1.104 113.504 114.554 0.090 0.000 2.995 196 T HA -0.137 4.212 4.350 -0.000 0.000 0.269 196 T C 1.533 176.251 174.700 0.031 0.000 1.091 196 T CA 0.919 63.048 62.100 0.048 0.000 1.128 196 T CB -0.021 68.866 68.868 0.032 0.000 0.891 196 T HN 0.435 nan 8.240 nan 0.000 0.492 197 E N 1.036 121.261 120.200 0.041 0.000 2.008 197 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 197 E C 2.228 178.802 176.600 -0.042 0.000 0.986 197 E CA 0.719 57.122 56.400 0.005 0.000 0.807 197 E CB 0.001 29.711 29.700 0.018 0.000 0.766 197 E HN 0.282 nan 8.360 nan 0.000 0.450 198 E N 0.562 120.711 120.200 -0.085 0.000 2.463 198 E HA -0.135 4.215 4.350 -0.000 0.000 0.201 198 E C 1.893 178.419 176.600 -0.123 0.000 1.045 198 E CA 0.585 56.858 56.400 -0.212 0.000 0.872 198 E CB -0.002 29.361 29.700 -0.563 0.000 0.797 198 E HN 0.322 nan 8.360 nan 0.000 0.538 199 L N -0.129 121.067 121.223 -0.045 0.000 2.416 199 L HA 0.010 4.350 4.340 -0.000 0.000 0.216 199 L C 2.149 178.998 176.870 -0.035 0.000 1.098 199 L CA 0.404 55.228 54.840 -0.027 0.000 0.840 199 L CB 0.057 42.120 42.059 0.007 0.000 0.981 199 L HN -0.019 nan 8.230 nan 0.000 0.462 200 K N 0.351 120.729 120.400 -0.036 0.000 2.148 200 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 200 K C 1.849 178.420 176.600 -0.048 0.000 1.050 200 K CA 1.063 57.329 56.287 -0.034 0.000 0.942 200 K CB 0.100 32.584 32.500 -0.027 0.000 0.724 200 K HN 0.258 nan 8.250 nan 0.000 0.446 201 K N 0.436 120.796 120.400 -0.067 0.000 2.296 201 K HA 0.028 4.348 4.320 -0.000 0.000 0.200 201 K C 2.074 178.625 176.600 -0.081 0.000 1.048 201 K CA 0.622 56.860 56.287 -0.082 0.000 0.966 201 K CB -0.005 32.431 32.500 -0.107 0.000 0.754 201 K HN 0.070 nan 8.250 nan 0.000 0.466 202 A N 2.809 125.586 122.820 -0.072 0.000 1.882 202 A HA -0.324 3.996 4.320 -0.000 0.000 0.220 202 A C 1.757 179.306 177.584 -0.059 0.000 1.253 202 A CA 2.391 54.389 52.037 -0.063 0.000 0.664 202 A CB -0.752 18.220 19.000 -0.046 0.000 0.838 202 A HN 0.249 nan 8.150 nan 0.000 0.460 203 D N -0.392 119.978 120.400 -0.050 0.000 2.097 203 D HA -0.071 4.569 4.640 -0.000 0.000 0.195 203 D C 2.326 178.593 176.300 -0.055 0.000 0.989 203 D CA 1.627 55.599 54.000 -0.046 0.000 0.827 203 D CB -0.558 40.220 40.800 -0.037 0.000 0.966 203 D HN 0.478 nan 8.370 nan 0.000 0.456 204 A N 1.155 123.940 122.820 -0.059 0.000 1.883 204 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 204 A C 2.423 179.956 177.584 -0.085 0.000 1.186 204 A CA 2.270 54.267 52.037 -0.067 0.000 0.624 204 A CB -1.164 17.795 19.000 -0.067 0.000 0.822 204 A HN 0.319 nan 8.150 nan 0.000 0.444 205 G N -0.510 108.234 108.800 -0.093 0.000 2.448 205 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.219 205 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.219 205 G C 1.465 176.312 174.900 -0.089 0.000 1.127 205 G CA 1.049 46.086 45.100 -0.104 0.000 0.766 205 G HN 0.478 nan 8.290 nan 0.000 0.552 206 I N -0.285 120.239 120.570 -0.076 0.000 2.353 206 I HA -0.031 4.139 4.170 -0.000 0.000 0.248 206 I C 2.420 178.493 176.117 -0.072 0.000 1.119 206 I CA 0.211 61.470 61.300 -0.069 0.000 1.417 206 I CB -0.004 37.962 38.000 -0.057 0.000 1.078 206 I HN 0.064 nan 8.210 nan 0.000 0.421 207 L N 0.152 121.331 121.223 -0.074 0.000 2.131 207 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 207 L C 2.213 179.020 176.870 -0.106 0.000 1.092 207 L CA 1.767 56.557 54.840 -0.083 0.000 0.759 207 L CB -0.602 41.410 42.059 -0.079 0.000 0.903 207 L HN 0.195 nan 8.230 nan 0.000 0.435 208 L N -1.436 119.726 121.223 -0.102 0.000 2.109 208 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 208 L C 2.184 178.999 176.870 -0.093 0.000 1.086 208 L CA 1.136 55.913 54.840 -0.105 0.000 0.760 208 L CB -0.501 41.494 42.059 -0.106 0.000 0.910 208 L HN 0.331 nan 8.230 nan 0.000 0.437 209 N N 0.538 119.186 118.700 -0.085 0.000 2.106 209 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 209 N C 1.877 177.344 175.510 -0.072 0.000 1.029 209 N CA 1.357 54.362 53.050 -0.076 0.000 0.848 209 N CB 0.096 38.538 38.487 -0.075 0.000 1.007 209 N HN 0.109 nan 8.380 nan 0.000 0.423 210 R N -0.733 119.723 120.500 -0.072 0.000 2.276 210 R HA 0.266 4.606 4.340 -0.000 0.000 0.196 210 R C 0.272 176.531 176.300 -0.069 0.000 0.961 210 R CA 0.476 56.537 56.100 -0.064 0.000 1.024 210 R CB 0.208 30.474 30.300 -0.056 0.000 0.940 210 R HN 0.247 nan 8.270 nan 0.000 0.480 211 G N 1.511 110.252 108.800 -0.098 0.000 2.862 211 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.686 211 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.686 211 G C -0.308 174.505 174.900 -0.145 0.000 1.134 211 G CA -0.961 44.054 45.100 -0.142 0.000 0.791 211 G HN 0.053 nan 8.290 nan 0.000 0.592 212 L N 1.270 122.346 121.223 -0.245 0.000 2.473 212 L HA 0.412 4.752 4.340 -0.000 0.000 0.268 212 L C 1.420 178.275 176.870 -0.025 0.000 1.215 212 L CA -0.333 54.419 54.840 -0.147 0.000 0.823 212 L CB 0.427 42.365 42.059 -0.201 0.000 1.099 212 L HN 0.714 nan 8.230 nan 0.000 0.483 213 R N 2.327 122.842 120.500 0.025 0.000 2.294 213 R HA 0.523 4.863 4.340 -0.000 0.000 0.319 213 R C -0.970 175.396 176.300 0.109 0.000 0.984 213 R CA -0.450 55.686 56.100 0.059 0.000 0.861 213 R CB 1.166 31.485 30.300 0.032 0.000 1.104 213 R HN 0.666 nan 8.270 nan 0.000 0.451 214 M N 5.290 124.973 119.600 0.137 0.000 2.395 214 M HA 0.329 4.809 4.480 -0.000 0.000 0.307 214 M C -1.766 174.588 176.300 0.090 0.000 1.091 214 M CA -0.856 54.529 55.300 0.142 0.000 0.919 214 M CB 2.073 34.795 32.600 0.205 0.000 1.662 214 M HN 0.440 nan 8.290 nan 0.000 0.440 215 V N 6.498 126.458 119.914 0.076 0.000 2.540 215 V HA 0.545 4.665 4.120 -0.000 0.000 0.302 215 V C -0.805 175.331 176.094 0.070 0.000 1.035 215 V CA -0.792 61.545 62.300 0.061 0.000 0.873 215 V CB 1.826 33.677 31.823 0.047 0.000 0.992 215 V HN 0.746 nan 8.190 nan 0.000 0.428 216 I N 7.122 127.730 120.570 0.064 0.000 2.396 216 I HA 0.507 4.677 4.170 -0.000 0.000 0.292 216 I C -0.031 176.149 176.117 0.105 0.000 0.999 216 I CA -0.285 61.060 61.300 0.075 0.000 1.310 216 I CB 1.301 39.330 38.000 0.048 0.000 1.404 216 I HN 0.316 nan 8.210 nan 0.000 0.496 217 V N 3.869 123.890 119.914 0.178 0.000 2.709 217 V HA 0.990 5.110 4.120 -0.000 0.000 0.308 217 V C 0.236 176.510 176.094 0.299 0.000 1.062 217 V CA -0.450 62.000 62.300 0.250 0.000 0.901 217 V CB 1.764 33.762 31.823 0.292 0.000 1.003 217 V HN 1.113 nan 8.190 nan 0.000 0.425 218 G N 2.695 111.628 108.800 0.222 0.000 2.328 218 G HA2 0.425 4.385 3.960 -0.000 0.000 0.299 218 G HA3 0.425 4.385 3.960 -0.000 0.000 0.299 218 G C -1.769 173.179 174.900 0.079 0.000 1.435 218 G CA -1.077 44.094 45.100 0.120 0.000 0.865 218 G HN 0.564 nan 8.290 nan 0.000 0.601 219 K N 0.648 121.072 120.400 0.040 0.000 2.258 219 K HA 0.459 4.778 4.320 -0.000 0.000 0.264 219 K C -1.554 175.056 176.600 0.017 0.000 1.007 219 K CA -1.786 54.520 56.287 0.031 0.000 0.941 219 K CB 0.887 33.398 32.500 0.018 0.000 0.966 219 K HN 0.119 nan 8.250 nan 0.000 0.480 220 P HA -0.169 nan 4.420 nan 0.000 0.222 220 P C -0.023 177.278 177.300 0.003 0.000 1.142 220 P CA 1.165 64.272 63.100 0.011 0.000 0.788 220 P CB 0.082 31.789 31.700 0.011 0.000 0.767 221 N N -1.067 117.632 118.700 -0.001 0.000 2.290 221 N HA -0.107 4.633 4.740 -0.000 0.000 0.179 221 N C 1.448 176.949 175.510 -0.014 0.000 1.016 221 N CA 1.075 54.120 53.050 -0.007 0.000 0.871 221 N CB -1.521 36.961 38.487 -0.009 0.000 0.987 221 N HN 0.103 nan 8.380 nan 0.000 0.431 222 V N -2.025 117.877 119.914 -0.019 0.000 2.591 222 V HA 0.250 4.370 4.120 -0.000 0.000 0.249 222 V C 2.163 178.244 176.094 -0.022 0.000 1.053 222 V CA 1.543 63.825 62.300 -0.030 0.000 1.068 222 V CB -1.344 30.449 31.823 -0.050 0.000 0.689 222 V HN 0.325 nan 8.190 nan 0.000 0.462 223 G N 0.348 109.141 108.800 -0.011 0.000 2.535 223 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.218 223 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.218 223 G C 1.453 176.349 174.900 -0.008 0.000 1.122 223 G CA 0.777 45.874 45.100 -0.005 0.000 0.769 223 G HN 0.633 nan 8.290 nan 0.000 0.549 224 K N 0.738 121.132 120.400 -0.010 0.000 2.358 224 K HA 0.151 4.471 4.320 -0.000 0.000 0.197 224 K C 1.347 177.939 176.600 -0.014 0.000 1.025 224 K CA 0.103 56.384 56.287 -0.010 0.000 1.104 224 K CB 0.600 33.096 32.500 -0.008 0.000 0.855 224 K HN 0.323 nan 8.250 nan 0.000 0.531 225 S N -0.057 115.632 115.700 -0.019 0.000 2.587 225 S HA 0.009 4.479 4.470 -0.000 0.000 0.260 225 S C 1.198 175.785 174.600 -0.021 0.000 1.353 225 S CA -0.196 57.991 58.200 -0.022 0.000 0.995 225 S CB 1.039 64.222 63.200 -0.030 0.000 0.912 225 S HN 0.024 nan 8.310 nan 0.000 0.568 226 T N 1.111 115.651 114.554 -0.022 0.000 2.809 226 T HA -0.043 4.307 4.350 -0.000 0.000 0.260 226 T C 1.730 176.414 174.700 -0.026 0.000 1.039 226 T CA 0.941 63.028 62.100 -0.022 0.000 1.141 226 T CB -0.569 68.287 68.868 -0.021 0.000 0.869 226 T HN 0.454 nan 8.240 nan 0.000 0.437 227 L N 1.407 122.612 121.223 -0.030 0.000 2.011 227 L HA -0.154 4.186 4.340 -0.000 0.000 0.225 227 L C 2.204 179.053 176.870 -0.035 0.000 1.084 227 L CA 1.842 56.661 54.840 -0.035 0.000 0.791 227 L CB -0.914 41.121 42.059 -0.041 0.000 0.898 227 L HN 0.281 nan 8.230 nan 0.000 0.440 228 L N -1.142 120.061 121.223 -0.033 0.000 2.056 228 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 228 L C 2.330 179.186 176.870 -0.024 0.000 1.078 228 L CA 1.269 56.091 54.840 -0.030 0.000 0.749 228 L CB -0.706 41.338 42.059 -0.025 0.000 0.901 228 L HN 0.422 nan 8.230 nan 0.000 0.433 229 N N -0.008 118.680 118.700 -0.020 0.000 2.309 229 N HA -0.131 4.609 4.740 -0.000 0.000 0.182 229 N C 1.919 177.418 175.510 -0.017 0.000 1.018 229 N CA 0.872 53.912 53.050 -0.016 0.000 0.876 229 N CB 0.090 38.569 38.487 -0.014 0.000 0.972 229 N HN 0.328 nan 8.380 nan 0.000 0.434 230 R N 0.442 120.929 120.500 -0.022 0.000 2.119 230 R HA -0.017 4.323 4.340 -0.000 0.000 0.222 230 R C 2.016 178.300 176.300 -0.026 0.000 1.088 230 R CA 0.191 56.277 56.100 -0.022 0.000 0.984 230 R CB -0.375 29.910 30.300 -0.025 0.000 0.884 230 R HN 0.141 nan 8.270 nan 0.000 0.447 231 L N 1.242 122.446 121.223 -0.031 0.000 1.943 231 L HA -0.184 4.156 4.340 -0.000 0.000 0.215 231 L C 1.970 178.823 176.870 -0.029 0.000 1.074 231 L CA 1.783 56.599 54.840 -0.040 0.000 0.759 231 L CB -0.784 41.244 42.059 -0.052 0.000 0.888 231 L HN -0.006 nan 8.230 nan 0.000 0.433 232 L N 0.265 121.475 121.223 -0.022 0.000 2.043 232 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 232 L C 2.397 179.263 176.870 -0.006 0.000 1.075 232 L CA 1.697 56.531 54.840 -0.010 0.000 0.752 232 L CB -1.322 40.734 42.059 -0.005 0.000 0.891 232 L HN 0.407 nan 8.230 nan 0.000 0.432 233 N N -0.326 118.369 118.700 -0.009 0.000 2.132 233 N HA -0.123 4.617 4.740 -0.000 0.000 0.187 233 N C 1.757 177.263 175.510 -0.008 0.000 1.038 233 N CA 1.292 54.337 53.050 -0.007 0.000 0.846 233 N CB -0.108 38.374 38.487 -0.009 0.000 1.012 233 N HN 0.473 nan 8.380 nan 0.000 0.429 234 E N 0.395 120.587 120.200 -0.012 0.000 2.204 234 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 234 E C 0.268 176.861 176.600 -0.011 0.000 0.989 234 E CA 0.825 57.217 56.400 -0.013 0.000 0.824 234 E CB 0.037 29.726 29.700 -0.018 0.000 0.756 234 E HN 0.276 nan 8.360 nan 0.000 0.477 235 D N 0.146 120.540 120.400 -0.010 0.000 2.369 235 D HA 0.010 4.650 4.640 -0.000 0.000 0.211 235 D C 0.330 176.637 176.300 0.013 0.000 1.077 235 D CA -0.069 53.930 54.000 -0.002 0.000 0.842 235 D CB 0.018 40.809 40.800 -0.013 0.000 0.947 235 D HN -0.011 nan 8.370 nan 0.000 0.509 236 R N 0.941 121.447 120.500 0.009 0.000 2.566 236 R HA 0.166 4.506 4.340 -0.000 0.000 0.273 236 R C -0.071 176.241 176.300 0.020 0.000 0.981 236 R CA 0.096 56.205 56.100 0.015 0.000 1.091 236 R CB 0.404 30.709 30.300 0.008 0.000 0.924 236 R HN -0.072 nan 8.270 nan 0.000 0.411 237 A N 4.995 127.832 122.820 0.028 0.000 2.252 237 A HA 0.381 4.701 4.320 -0.000 0.000 0.305 237 A C 0.179 177.772 177.584 0.015 0.000 1.097 237 A CA -0.899 51.154 52.037 0.027 0.000 0.849 237 A CB 0.451 19.474 19.000 0.039 0.000 1.142 237 A HN 0.827 nan 8.150 nan 0.000 0.499 238 I N 0.371 120.947 120.570 0.010 0.000 2.872 238 I HA 0.024 4.194 4.170 -0.000 0.000 0.291 238 I C -0.369 175.748 176.117 -0.000 0.000 1.216 238 I CA 0.354 61.655 61.300 0.002 0.000 1.424 238 I CB 0.928 38.926 38.000 -0.003 0.000 1.351 238 I HN 0.222 nan 8.210 nan 0.000 0.592 239 V N 6.523 126.436 119.914 -0.003 0.000 2.318 239 V HA 0.069 4.189 4.120 -0.000 0.000 0.271 239 V C 0.997 177.085 176.094 -0.010 0.000 1.030 239 V CA -0.010 62.287 62.300 -0.004 0.000 0.844 239 V CB 1.042 32.864 31.823 -0.003 0.000 1.015 239 V HN 1.005 nan 8.190 nan 0.000 0.460 240 T N 1.074 115.620 114.554 -0.013 0.000 2.837 240 T HA 0.036 4.386 4.350 -0.000 0.000 0.248 240 T C 0.451 175.140 174.700 -0.018 0.000 1.033 240 T CA 0.410 62.498 62.100 -0.020 0.000 1.150 240 T CB 0.043 68.894 68.868 -0.028 0.000 0.865 240 T HN 0.643 nan 8.240 nan 0.000 0.425 241 D N 1.381 121.772 120.400 -0.015 0.000 2.278 241 D HA 0.529 5.169 4.640 -0.000 0.000 0.245 241 D C -0.745 175.552 176.300 -0.006 0.000 1.052 241 D CA -0.884 53.109 54.000 -0.011 0.000 0.834 241 D CB 1.364 42.158 40.800 -0.010 0.000 1.194 241 D HN 0.529 nan 8.370 nan 0.000 0.481 242 I N -0.399 120.169 120.570 -0.003 0.000 2.418 242 I HA 0.884 5.054 4.170 -0.000 0.000 0.287 242 I C -2.018 174.100 176.117 0.002 0.000 1.008 242 I CA -1.072 60.227 61.300 -0.001 0.000 1.104 242 I CB 1.029 39.028 38.000 -0.001 0.000 1.264 242 I HN 0.934 nan 8.210 nan 0.000 0.438 243 P HA 0.736 nan 4.420 nan 0.000 0.316 243 P C -0.099 177.205 177.300 0.006 0.000 1.944 243 P CA -0.003 63.100 63.100 0.005 0.000 1.530 243 P CB 0.644 32.348 31.700 0.007 0.000 1.482 244 G N 1.774 110.577 108.800 0.006 0.000 2.093 244 G HA2 0.539 4.499 3.960 -0.000 0.000 0.250 244 G HA3 0.539 4.499 3.960 -0.000 0.000 0.250 244 G C 0.563 175.468 174.900 0.007 0.000 1.056 244 G CA 1.288 46.392 45.100 0.006 0.000 0.916 244 G HN 1.118 nan 8.290 nan 0.000 0.421 245 T N 0.255 114.813 114.554 0.007 0.000 2.924 245 T HA 0.697 5.047 4.350 -0.000 0.000 0.301 245 T C 1.704 176.409 174.700 0.008 0.000 1.120 245 T CA 0.688 62.793 62.100 0.008 0.000 0.940 245 T CB 0.090 68.962 68.868 0.007 0.000 1.591 245 T HN 0.903 nan 8.240 nan 0.000 0.578 246 T N -0.054 114.505 114.554 0.008 0.000 3.366 246 T HA 0.537 4.887 4.350 -0.000 0.000 0.249 246 T C 0.921 175.626 174.700 0.008 0.000 1.028 246 T CA 1.370 63.475 62.100 0.008 0.000 0.938 246 T CB -1.434 67.438 68.868 0.008 0.000 1.046 246 T HN 1.874 nan 8.240 nan 0.000 0.587 247 R N -0.606 119.899 120.500 0.008 0.000 2.717 247 R HA 0.188 4.528 4.340 -0.000 0.000 0.298 247 R C -0.221 176.084 176.300 0.008 0.000 0.971 247 R CA 1.344 57.448 56.100 0.008 0.000 0.773 247 R CB -2.656 27.649 30.300 0.008 0.000 2.073 247 R HN 1.605 nan 8.270 nan 0.000 0.494 248 D N -0.070 120.335 120.400 0.009 0.000 2.357 248 D HA 0.809 5.449 4.640 -0.000 0.000 0.242 248 D C 2.143 178.450 176.300 0.010 0.000 1.153 248 D CA 0.422 54.428 54.000 0.009 0.000 0.918 248 D CB 0.870 41.675 40.800 0.009 0.000 1.181 248 D HN 1.980 nan 8.370 nan 0.000 0.435 249 V N 0.654 120.575 119.914 0.010 0.000 2.660 249 V HA 0.026 4.146 4.120 -0.000 0.000 0.257 249 V C 1.506 177.609 176.094 0.016 0.000 1.088 249 V CA 1.336 63.643 62.300 0.012 0.000 1.106 249 V CB -0.852 30.978 31.823 0.011 0.000 0.686 249 V HN 0.701 nan 8.190 nan 0.000 0.481 250 I N 0.859 121.439 120.570 0.016 0.000 2.421 250 I HA 0.089 4.259 4.170 -0.000 0.000 0.291 250 I C 1.520 177.649 176.117 0.020 0.000 1.089 250 I CA -0.022 61.291 61.300 0.021 0.000 1.354 250 I CB 1.140 39.152 38.000 0.021 0.000 1.413 250 I HN 0.263 nan 8.210 nan 0.000 0.513 251 S N 5.230 120.944 115.700 0.022 0.000 2.361 251 S HA -0.105 4.365 4.470 -0.000 0.000 0.214 251 S C 0.659 175.271 174.600 0.020 0.000 1.034 251 S CA 1.058 59.270 58.200 0.019 0.000 1.025 251 S CB -0.088 63.124 63.200 0.020 0.000 0.996 251 S HN 0.825 nan 8.310 nan 0.000 0.422 252 E N 0.918 121.133 120.200 0.025 0.000 2.456 252 E HA 0.479 4.829 4.350 -0.000 0.000 0.278 252 E C -1.858 174.766 176.600 0.040 0.000 1.034 252 E CA -0.841 55.575 56.400 0.027 0.000 0.846 252 E CB 0.768 30.480 29.700 0.021 0.000 1.460 252 E HN 0.306 nan 8.360 nan 0.000 0.463 253 E N 0.410 120.636 120.200 0.042 0.000 2.256 253 E HA 0.737 5.087 4.350 -0.000 0.000 0.267 253 E C -0.210 176.433 176.600 0.071 0.000 0.892 253 E CA -0.850 55.589 56.400 0.065 0.000 0.775 253 E CB 2.336 32.067 29.700 0.052 0.000 1.207 253 E HN 0.531 nan 8.360 nan 0.000 0.420 254 I N -2.384 118.255 120.570 0.115 0.000 3.074 254 I HA 0.727 4.897 4.170 -0.000 0.000 0.310 254 I C -1.208 175.021 176.117 0.187 0.000 1.153 254 I CA -1.306 60.059 61.300 0.109 0.000 0.993 254 I CB 1.936 39.976 38.000 0.067 0.000 1.237 254 I HN 0.243 nan 8.210 nan 0.000 0.443 255 V N 4.135 124.135 119.914 0.143 0.000 2.604 255 V HA 0.576 4.696 4.120 -0.000 0.000 0.305 255 V C -0.464 175.721 176.094 0.153 0.000 1.043 255 V CA -0.360 62.048 62.300 0.180 0.000 0.888 255 V CB 1.842 33.726 31.823 0.102 0.000 0.995 255 V HN 0.551 nan 8.190 nan 0.000 0.429 256 I N 4.877 125.589 120.570 0.237 0.000 2.500 256 I HA 0.567 4.737 4.170 -0.000 0.000 0.286 256 I C 0.399 176.590 176.117 0.124 0.000 1.063 256 I CA -0.578 60.807 61.300 0.140 0.000 1.062 256 I CB 1.682 39.739 38.000 0.095 0.000 1.223 256 I HN 0.477 nan 8.210 nan 0.000 0.435 257 R N 4.565 125.045 120.500 -0.034 0.000 3.516 257 R HA -0.215 4.125 4.340 -0.000 0.000 0.271 257 R C 0.948 177.218 176.300 -0.050 0.000 1.098 257 R CA 0.894 56.882 56.100 -0.188 0.000 0.732 257 R CB -1.780 28.174 30.300 -0.576 0.000 1.152 257 R HN 1.276 nan 8.270 nan 0.000 0.455 258 G N -1.015 107.813 108.800 0.046 0.000 2.199 258 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.254 258 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.254 258 G C 0.308 175.305 174.900 0.162 0.000 0.982 258 G CA 0.329 45.496 45.100 0.113 0.000 0.632 258 G HN 0.395 nan 8.290 nan 0.000 0.529 259 I N 0.890 121.573 120.570 0.187 0.000 2.460 259 I HA 0.589 4.759 4.170 -0.000 0.000 0.298 259 I C 0.096 176.231 176.117 0.031 0.000 0.989 259 I CA -1.193 60.160 61.300 0.088 0.000 1.173 259 I CB 1.693 39.740 38.000 0.079 0.000 1.338 259 I HN 0.091 nan 8.210 nan 0.000 0.456 260 L N 6.648 127.792 121.223 -0.131 0.000 2.289 260 L HA 0.555 4.894 4.340 -0.000 0.000 0.285 260 L C -1.434 175.283 176.870 -0.255 0.000 1.049 260 L CA 0.328 55.128 54.840 -0.067 0.000 0.804 260 L CB 0.526 42.556 42.059 -0.048 0.000 1.195 260 L HN 0.247 nan 8.230 nan 0.000 0.428 261 F N 3.911 123.878 119.950 0.027 0.000 2.520 261 F HA 0.587 5.114 4.527 -0.000 0.000 0.322 261 F C 0.275 176.085 175.800 0.016 0.000 1.103 261 F CA -0.633 57.382 58.000 0.024 0.000 0.926 261 F CB 1.605 40.622 39.000 0.029 0.000 1.154 261 F HN 0.310 nan 8.300 nan 0.000 0.453 262 R N 3.789 124.385 120.500 0.160 0.000 2.233 262 R HA 0.436 4.776 4.340 -0.000 0.000 0.334 262 R C -0.797 175.568 176.300 0.108 0.000 1.037 262 R CA -0.597 55.562 56.100 0.098 0.000 0.920 262 R CB 0.541 30.869 30.300 0.047 0.000 1.137 262 R HN 0.426 nan 8.270 nan 0.000 0.492 263 I N 3.659 124.287 120.570 0.097 0.000 2.529 263 I HA 0.090 4.260 4.170 -0.000 0.000 0.284 263 I C 0.414 176.562 176.117 0.052 0.000 1.082 263 I CA -0.291 61.054 61.300 0.075 0.000 1.406 263 I CB 1.328 39.361 38.000 0.054 0.000 1.405 263 I HN 0.252 nan 8.210 nan 0.000 0.548 264 V N 5.135 125.078 119.914 0.049 0.000 2.289 264 V HA 0.126 4.246 4.120 -0.000 0.000 0.272 264 V C -0.085 176.031 176.094 0.036 0.000 1.026 264 V CA -0.854 61.468 62.300 0.038 0.000 0.807 264 V CB 1.240 33.085 31.823 0.036 0.000 1.044 264 V HN 0.665 nan 8.190 nan 0.000 0.443 265 D N 3.048 123.466 120.400 0.030 0.000 2.401 265 D HA 0.152 4.792 4.640 -0.000 0.000 0.254 265 D C 0.966 177.284 176.300 0.029 0.000 1.192 265 D CA 0.789 54.806 54.000 0.029 0.000 0.885 265 D CB 1.632 42.446 40.800 0.022 0.000 1.147 265 D HN 0.466 nan 8.370 nan 0.000 0.478 266 T N 2.406 116.982 114.554 0.036 0.000 3.056 266 T HA 0.179 4.529 4.350 -0.000 0.000 0.243 266 T C 1.754 176.478 174.700 0.040 0.000 0.995 266 T CA 0.635 62.758 62.100 0.038 0.000 1.091 266 T CB 0.003 68.898 68.868 0.046 0.000 0.990 266 T HN 0.459 nan 8.240 nan 0.000 0.464 267 A N 0.939 123.787 122.820 0.046 0.000 1.902 267 A HA 0.391 4.711 4.320 -0.000 0.000 0.217 267 A C 1.639 179.239 177.584 0.026 0.000 1.181 267 A CA 1.531 53.593 52.037 0.041 0.000 0.623 267 A CB -0.887 18.136 19.000 0.039 0.000 0.818 267 A HN 1.056 nan 8.150 nan 0.000 0.443 268 G N -1.042 107.771 108.800 0.021 0.000 2.797 268 G HA2 0.093 4.053 3.960 -0.000 0.000 0.192 268 G HA3 0.093 4.053 3.960 -0.000 0.000 0.192 268 G C -0.059 174.846 174.900 0.009 0.000 1.101 268 G CA -0.222 44.887 45.100 0.014 0.000 0.930 268 G HN 1.524 nan 8.290 nan 0.000 0.512 269 V N -0.880 119.038 119.914 0.008 0.000 2.304 269 V HA 0.635 4.755 4.120 -0.000 0.000 0.239 269 V C 0.549 176.644 176.094 0.002 0.000 1.201 269 V CA 0.127 62.428 62.300 0.003 0.000 1.254 269 V CB -0.043 31.780 31.823 0.001 0.000 1.335 269 V HN 0.748 nan 8.190 nan 0.000 0.491 270 R N 3.627 124.128 120.500 0.001 0.000 2.518 270 R HA 0.483 4.823 4.340 -0.000 0.000 0.296 270 R C 0.695 176.994 176.300 -0.001 0.000 1.080 270 R CA 0.325 56.425 56.100 0.001 0.000 0.922 270 R CB 1.795 32.097 30.300 0.003 0.000 1.184 270 R HN 0.652 nan 8.270 nan 0.000 0.445 271 S N 1.372 117.071 115.700 -0.002 0.000 2.478 271 S HA 0.019 4.489 4.470 -0.000 0.000 0.222 271 S C 1.525 176.124 174.600 -0.003 0.000 1.008 271 S CA 0.572 58.770 58.200 -0.004 0.000 0.928 271 S CB 0.164 63.361 63.200 -0.005 0.000 0.781 271 S HN 0.666 nan 8.310 nan 0.000 0.518 272 E N 1.044 121.243 120.200 -0.001 0.000 2.478 272 E HA 0.255 4.605 4.350 -0.000 0.000 0.198 272 E C 1.063 177.663 176.600 -0.000 0.000 1.046 272 E CA 1.202 57.601 56.400 -0.001 0.000 0.870 272 E CB -2.090 27.610 29.700 -0.000 0.000 0.818 272 E HN 1.477 nan 8.360 nan 0.000 0.527 273 T N -1.158 113.396 114.554 -0.000 0.000 3.574 273 T HA 0.054 4.404 4.350 -0.000 0.000 0.406 273 T C 0.427 175.128 174.700 0.002 0.000 0.765 273 T CA 1.243 63.343 62.100 0.001 0.000 2.116 273 T CB -2.934 65.934 68.868 -0.000 0.000 1.724 273 T HN 1.677 nan 8.240 nan 0.000 0.738 274 N N 0.425 119.126 118.700 0.002 0.000 2.418 274 N HA 0.486 5.226 4.740 -0.000 0.000 0.277 274 N C 1.446 176.958 175.510 0.004 0.000 1.317 274 N CA 1.439 54.491 53.050 0.003 0.000 0.922 274 N CB -0.838 37.651 38.487 0.004 0.000 1.194 274 N HN 1.481 nan 8.380 nan 0.000 0.485 275 D N 0.474 120.875 120.400 0.003 0.000 2.157 275 D HA 0.123 4.763 4.640 -0.000 0.000 0.191 275 D C 1.467 177.770 176.300 0.004 0.000 1.004 275 D CA 2.225 56.227 54.000 0.003 0.000 0.854 275 D CB -0.826 39.976 40.800 0.003 0.000 0.936 275 D HN 1.338 nan 8.370 nan 0.000 0.446 276 L N -0.269 120.956 121.223 0.004 0.000 2.260 276 L HA 0.810 5.150 4.340 -0.000 0.000 0.289 276 L C 0.747 177.621 176.870 0.006 0.000 1.057 276 L CA -0.131 54.712 54.840 0.005 0.000 0.811 276 L CB 0.254 42.316 42.059 0.005 0.000 1.184 276 L HN 0.998 nan 8.230 nan 0.000 0.429 277 V N 2.762 122.680 119.914 0.007 0.000 2.338 277 V HA 0.582 4.702 4.120 -0.000 0.000 0.255 277 V C 0.885 176.984 176.094 0.009 0.000 1.082 277 V CA 0.161 62.466 62.300 0.008 0.000 0.951 277 V CB -0.209 31.619 31.823 0.009 0.000 1.102 277 V HN 1.226 nan 8.190 nan 0.000 0.489 278 E N 3.783 123.988 120.200 0.009 0.000 2.860 278 E HA 0.513 4.863 4.350 -0.000 0.000 0.318 278 E C 0.508 177.115 176.600 0.011 0.000 1.481 278 E CA 0.557 56.963 56.400 0.009 0.000 1.613 278 E CB -0.828 28.878 29.700 0.009 0.000 1.279 278 E HN 1.617 nan 8.360 nan 0.000 0.489 279 R N -0.968 119.539 120.500 0.011 0.000 2.564 279 R HA 0.855 5.195 4.340 -0.000 0.000 0.284 279 R C -0.052 176.256 176.300 0.012 0.000 1.031 279 R CA 0.028 56.136 56.100 0.014 0.000 0.904 279 R CB 0.133 30.443 30.300 0.017 0.000 1.199 279 R HN 1.227 nan 8.270 nan 0.000 0.443 280 L N 1.110 122.339 121.223 0.011 0.000 2.479 280 L HA 0.971 5.311 4.340 -0.000 0.000 0.249 280 L C 1.433 178.309 176.870 0.010 0.000 1.178 280 L CA -0.203 54.643 54.840 0.009 0.000 0.811 280 L CB 0.204 42.267 42.059 0.007 0.000 1.187 280 L HN 1.380 nan 8.230 nan 0.000 0.480 281 G N -1.161 107.644 108.800 0.008 0.000 2.593 281 G HA2 0.266 4.226 3.960 -0.000 0.000 0.279 281 G HA3 0.266 4.226 3.960 -0.000 0.000 0.279 281 G C 0.955 175.860 174.900 0.008 0.000 1.329 281 G CA 0.661 45.767 45.100 0.009 0.000 1.036 281 G HN 1.228 nan 8.290 nan 0.000 0.555 282 I N 0.251 120.825 120.570 0.007 0.000 2.493 282 I HA -0.090 4.080 4.170 -0.000 0.000 0.254 282 I C 2.765 178.878 176.117 -0.007 0.000 1.160 282 I CA 1.736 63.038 61.300 0.002 0.000 1.445 282 I CB -0.547 37.454 38.000 0.001 0.000 1.086 282 I HN 0.802 nan 8.210 nan 0.000 0.433 283 E N 0.164 120.361 120.200 -0.006 0.000 2.038 283 E HA -0.350 4.000 4.350 -0.000 0.000 0.195 283 E C 2.300 178.894 176.600 -0.010 0.000 1.000 283 E CA 1.370 57.764 56.400 -0.010 0.000 0.803 283 E CB -0.694 29.002 29.700 -0.007 0.000 0.750 283 E HN 0.316 nan 8.360 nan 0.000 0.448 284 R N 1.248 121.746 120.500 -0.005 0.000 2.096 284 R HA -0.128 4.211 4.340 -0.000 0.000 0.240 284 R C 2.287 178.584 176.300 -0.005 0.000 1.139 284 R CA 2.611 58.709 56.100 -0.003 0.000 0.952 284 R CB -1.250 29.052 30.300 0.002 0.000 0.854 284 R HN 0.302 nan 8.270 nan 0.000 0.436 285 T N 1.956 116.507 114.554 -0.004 0.000 2.624 285 T HA -0.163 4.186 4.350 -0.000 0.000 0.268 285 T C 1.618 176.305 174.700 -0.022 0.000 1.041 285 T CA 1.499 63.594 62.100 -0.007 0.000 1.159 285 T CB -0.297 68.567 68.868 -0.006 0.000 0.863 285 T HN 0.069 nan 8.240 nan 0.000 0.434 286 L N 1.219 122.423 121.223 -0.030 0.000 2.089 286 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 286 L C 2.569 179.420 176.870 -0.032 0.000 1.079 286 L CA 1.886 56.702 54.840 -0.041 0.000 0.758 286 L CB -1.298 40.737 42.059 -0.040 0.000 0.891 286 L HN 0.503 nan 8.230 nan 0.000 0.433 287 Q N -0.906 118.881 119.800 -0.021 0.000 2.016 287 Q HA -0.173 4.167 4.340 -0.000 0.000 0.200 287 Q C 2.025 178.017 176.000 -0.013 0.000 0.978 287 Q CA 1.043 56.836 55.803 -0.016 0.000 0.833 287 Q CB -0.084 28.648 28.738 -0.011 0.000 0.895 287 Q HN 0.407 nan 8.270 nan 0.000 0.427 288 E N 0.931 121.127 120.200 -0.008 0.000 2.118 288 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 288 E C 2.007 178.605 176.600 -0.003 0.000 0.992 288 E CA 0.905 57.304 56.400 -0.001 0.000 0.804 288 E CB -0.242 29.462 29.700 0.007 0.000 0.741 288 E HN 0.438 nan 8.360 nan 0.000 0.458 289 I N 1.460 122.021 120.570 -0.014 0.000 2.208 289 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 289 I C 2.041 178.144 176.117 -0.023 0.000 1.097 289 I CA 1.204 62.490 61.300 -0.023 0.000 1.363 289 I CB -0.279 37.689 38.000 -0.053 0.000 1.051 289 I HN 0.063 nan 8.210 nan 0.000 0.413 290 E N 1.026 121.211 120.200 -0.025 0.000 2.274 290 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 290 E C 1.956 178.547 176.600 -0.015 0.000 0.996 290 E CA 0.893 57.279 56.400 -0.025 0.000 0.840 290 E CB -0.097 29.587 29.700 -0.026 0.000 0.772 290 E HN 0.585 nan 8.360 nan 0.000 0.491 291 K N 0.912 121.307 120.400 -0.008 0.000 2.166 291 K HA 0.174 4.494 4.320 -0.000 0.000 0.201 291 K C 1.109 177.712 176.600 0.004 0.000 1.052 291 K CA 0.476 56.761 56.287 -0.003 0.000 0.969 291 K CB 0.085 32.584 32.500 -0.000 0.000 0.761 291 K HN -0.046 nan 8.250 nan 0.000 0.459 292 A N 2.347 125.174 122.820 0.011 0.000 2.540 292 A HA -0.077 4.243 4.320 -0.000 0.000 0.239 292 A C 0.288 177.889 177.584 0.027 0.000 1.061 292 A CA 0.087 52.140 52.037 0.027 0.000 0.758 292 A CB 0.114 19.137 19.000 0.038 0.000 0.991 292 A HN 0.164 nan 8.150 nan 0.000 0.502 293 D N 0.271 120.692 120.400 0.036 0.000 2.347 293 D HA 0.105 4.745 4.640 -0.000 0.000 0.215 293 D C 0.243 176.576 176.300 0.055 0.000 0.976 293 D CA 1.227 55.245 54.000 0.030 0.000 0.884 293 D CB 0.154 40.964 40.800 0.016 0.000 0.915 293 D HN 0.557 nan 8.370 nan 0.000 0.526 294 I N 0.092 120.711 120.570 0.083 0.000 2.752 294 I HA 0.081 4.251 4.170 -0.000 0.000 0.290 294 I C -1.872 174.311 176.117 0.111 0.000 1.507 294 I CA -0.590 60.774 61.300 0.106 0.000 1.038 294 I CB 1.996 40.088 38.000 0.152 0.000 1.390 294 I HN -0.434 nan 8.210 nan 0.000 0.435 295 V N 6.979 126.966 119.914 0.121 0.000 2.435 295 V HA 0.463 4.583 4.120 -0.000 0.000 0.290 295 V C -0.480 175.706 176.094 0.153 0.000 1.030 295 V CA -0.664 61.712 62.300 0.126 0.000 0.881 295 V CB 1.490 33.379 31.823 0.109 0.000 0.983 295 V HN 0.498 nan 8.190 nan 0.000 0.445 296 L N 5.744 127.047 121.223 0.134 0.000 2.294 296 L HA 0.603 4.943 4.340 -0.000 0.000 0.283 296 L C -1.113 175.891 176.870 0.223 0.000 1.015 296 L CA -0.256 54.660 54.840 0.125 0.000 0.831 296 L CB 0.901 42.987 42.059 0.045 0.000 1.217 296 L HN 0.558 nan 8.230 nan 0.000 0.420 297 F N 6.131 126.107 119.950 0.043 0.000 2.361 297 F HA 0.582 5.109 4.527 -0.000 0.000 0.364 297 F C -0.753 175.061 175.800 0.024 0.000 1.117 297 F CA -0.956 57.074 58.000 0.049 0.000 1.071 297 F CB 1.304 40.364 39.000 0.100 0.000 1.188 297 F HN 0.168 nan 8.300 nan 0.000 0.464 298 V N 7.658 127.400 119.914 -0.287 0.000 2.370 298 V HA 0.413 4.533 4.120 -0.000 0.000 0.283 298 V C -0.109 175.672 176.094 -0.521 0.000 1.023 298 V CA -0.714 61.386 62.300 -0.334 0.000 0.857 298 V CB 1.404 33.139 31.823 -0.147 0.000 0.985 298 V HN 0.576 nan 8.190 nan 0.000 0.443 299 L N 3.405 124.346 121.223 -0.469 0.000 2.346 299 L HA 0.557 4.897 4.340 -0.000 0.000 0.276 299 L C -0.283 176.473 176.870 -0.190 0.000 1.006 299 L CA -0.596 54.021 54.840 -0.371 0.000 0.817 299 L CB 2.220 44.059 42.059 -0.367 0.000 1.272 299 L HN 0.603 nan 8.230 nan 0.000 0.421 300 D N 1.055 121.376 120.400 -0.132 0.000 2.304 300 D HA 0.337 4.977 4.640 -0.000 0.000 0.247 300 D C 0.649 176.910 176.300 -0.064 0.000 1.089 300 D CA 0.080 54.031 54.000 -0.082 0.000 0.910 300 D CB 1.934 42.699 40.800 -0.059 0.000 1.199 300 D HN 0.585 nan 8.370 nan 0.000 0.426 301 A N 1.876 124.666 122.820 -0.050 0.000 2.021 301 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 301 A C 2.074 179.642 177.584 -0.027 0.000 1.163 301 A CA 0.685 52.700 52.037 -0.037 0.000 0.676 301 A CB -0.182 18.798 19.000 -0.033 0.000 0.818 301 A HN 0.509 nan 8.150 nan 0.000 0.453 302 S N 0.220 115.905 115.700 -0.026 0.000 2.387 302 S HA 0.020 4.490 4.470 -0.000 0.000 0.226 302 S C 1.100 175.691 174.600 -0.015 0.000 1.026 302 S CA 0.614 58.803 58.200 -0.018 0.000 0.972 302 S CB -0.106 63.084 63.200 -0.017 0.000 0.814 302 S HN 0.541 nan 8.310 nan 0.000 0.477 303 S N 2.590 118.280 115.700 -0.018 0.000 2.601 303 S HA 0.370 4.840 4.470 -0.000 0.000 0.271 303 S C -2.466 172.130 174.600 -0.007 0.000 1.305 303 S CA -1.057 57.136 58.200 -0.011 0.000 1.022 303 S CB 0.936 64.128 63.200 -0.012 0.000 0.940 303 S HN 0.267 nan 8.310 nan 0.000 0.525 304 P HA 0.236 nan 4.420 nan 0.000 0.286 304 P C -0.838 176.472 177.300 0.017 0.000 1.261 304 P CA -0.765 62.340 63.100 0.007 0.000 0.821 304 P CB 0.645 32.350 31.700 0.008 0.000 1.013 305 L N 4.380 125.617 121.223 0.023 0.000 2.600 305 L HA 0.092 4.431 4.340 -0.000 0.000 0.278 305 L C 0.636 177.532 176.870 0.043 0.000 1.139 305 L CA 0.631 55.496 54.840 0.042 0.000 0.933 305 L CB -1.372 40.716 42.059 0.048 0.000 1.266 305 L HN 0.403 nan 8.230 nan 0.000 0.471 306 D N 2.724 123.153 120.400 0.049 0.000 2.496 306 D HA 0.032 4.672 4.640 -0.000 0.000 0.283 306 D C 0.566 176.893 176.300 0.045 0.000 1.214 306 D CA -0.348 53.677 54.000 0.041 0.000 1.089 306 D CB 0.361 41.183 40.800 0.036 0.000 1.141 306 D HN 0.473 nan 8.370 nan 0.000 0.580 307 E N 0.134 120.354 120.200 0.034 0.000 2.006 307 E HA -0.235 4.114 4.350 -0.000 0.000 0.192 307 E C 1.738 178.355 176.600 0.029 0.000 0.993 307 E CA 1.068 57.484 56.400 0.026 0.000 0.808 307 E CB -0.387 29.323 29.700 0.017 0.000 0.764 307 E HN 0.642 nan 8.360 nan 0.000 0.449 308 E N 0.054 120.273 120.200 0.032 0.000 2.187 308 E HA -0.231 4.118 4.350 -0.000 0.000 0.199 308 E C 1.467 178.091 176.600 0.040 0.000 1.004 308 E CA 1.805 58.224 56.400 0.030 0.000 0.813 308 E CB 0.085 29.809 29.700 0.040 0.000 0.736 308 E HN 0.263 nan 8.360 nan 0.000 0.468 309 D N -0.235 120.218 120.400 0.088 0.000 2.106 309 D HA -0.114 4.526 4.640 -0.000 0.000 0.203 309 D C 1.939 178.283 176.300 0.073 0.000 0.977 309 D CA 0.615 54.709 54.000 0.157 0.000 0.844 309 D CB -0.476 40.487 40.800 0.273 0.000 1.002 309 D HN 0.098 nan 8.370 nan 0.000 0.461 310 R N 1.005 121.546 120.500 0.069 0.000 2.261 310 R HA -0.126 4.214 4.340 -0.000 0.000 0.236 310 R C 2.030 178.326 176.300 -0.006 0.000 1.141 310 R CA 0.922 57.046 56.100 0.040 0.000 1.001 310 R CB 0.104 30.426 30.300 0.037 0.000 0.866 310 R HN 0.074 nan 8.270 nan 0.000 0.468 311 K N 0.561 120.947 120.400 -0.023 0.000 2.044 311 K HA -0.079 4.241 4.320 -0.000 0.000 0.204 311 K C 1.902 178.444 176.600 -0.096 0.000 1.049 311 K CA 1.101 57.359 56.287 -0.048 0.000 0.945 311 K CB 0.002 32.479 32.500 -0.038 0.000 0.724 311 K HN 0.149 nan 8.250 nan 0.000 0.440 312 I N 1.690 122.172 120.570 -0.147 0.000 2.286 312 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 312 I C 2.030 177.979 176.117 -0.280 0.000 1.115 312 I CA 0.924 62.064 61.300 -0.267 0.000 1.392 312 I CB -0.201 37.512 38.000 -0.477 0.000 1.065 312 I HN 0.145 nan 8.210 nan 0.000 0.418 313 L N 0.281 121.387 121.223 -0.195 0.000 2.450 313 L HA -0.145 4.195 4.340 -0.000 0.000 0.224 313 L C 2.424 179.221 176.870 -0.121 0.000 1.149 313 L CA 0.726 55.500 54.840 -0.110 0.000 0.816 313 L CB -0.487 41.586 42.059 0.023 0.000 0.932 313 L HN 0.279 nan 8.230 nan 0.000 0.449 314 E N 0.131 120.261 120.200 -0.118 0.000 2.075 314 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 314 E C 2.173 178.694 176.600 -0.131 0.000 0.969 314 E CA 0.558 56.897 56.400 -0.101 0.000 0.815 314 E CB 0.122 29.781 29.700 -0.070 0.000 0.776 314 E HN 0.166 nan 8.360 nan 0.000 0.457 315 R N 1.693 122.106 120.500 -0.145 0.000 2.066 315 R HA -0.035 4.305 4.340 -0.000 0.000 0.232 315 R C 2.402 178.586 176.300 -0.192 0.000 1.131 315 R CA 1.492 57.506 56.100 -0.144 0.000 0.955 315 R CB -0.905 29.318 30.300 -0.128 0.000 0.851 315 R HN 0.349 nan 8.270 nan 0.000 0.432 316 I N -1.343 119.067 120.570 -0.267 0.000 3.111 316 I HA 0.003 4.173 4.170 -0.000 0.000 0.272 316 I C 1.924 177.670 176.117 -0.617 0.000 1.268 316 I CA 0.751 61.818 61.300 -0.389 0.000 1.467 316 I CB -0.313 37.449 38.000 -0.396 0.000 1.087 316 I HN 0.086 nan 8.210 nan 0.000 0.467 317 K N 3.081 123.219 120.400 -0.436 0.000 2.097 317 K HA -0.258 4.062 4.320 -0.000 0.000 0.214 317 K C 1.364 177.768 176.600 -0.326 0.000 1.052 317 K CA 2.535 58.602 56.287 -0.368 0.000 0.932 317 K CB -0.284 32.115 32.500 -0.168 0.000 0.716 317 K HN 0.695 nan 8.250 nan 0.000 0.455 318 N N 0.043 118.604 118.700 -0.232 0.000 2.214 318 N HA 0.023 4.763 4.740 -0.000 0.000 0.214 318 N C -0.484 174.948 175.510 -0.130 0.000 1.132 318 N CA -0.098 52.871 53.050 -0.135 0.000 0.856 318 N CB 0.460 38.900 38.487 -0.079 0.000 1.020 318 N HN 0.104 nan 8.380 nan 0.000 0.509 319 K N 0.527 120.806 120.400 -0.201 0.000 2.240 319 K HA 0.283 4.603 4.320 -0.000 0.000 0.237 319 K C -0.053 176.526 176.600 -0.034 0.000 1.027 319 K CA -0.845 55.374 56.287 -0.113 0.000 0.937 319 K CB 1.660 34.091 32.500 -0.115 0.000 1.171 319 K HN -0.064 nan 8.250 nan 0.000 0.479 320 R N 1.781 122.293 120.500 0.020 0.000 2.248 320 R HA 0.071 4.411 4.340 -0.000 0.000 0.337 320 R C -1.301 175.107 176.300 0.179 0.000 1.085 320 R CA -0.022 56.115 56.100 0.061 0.000 0.934 320 R CB -0.069 30.247 30.300 0.026 0.000 1.034 320 R HN 0.549 nan 8.270 nan 0.000 0.465 321 Y N 2.517 122.755 120.300 -0.103 0.000 2.689 321 Y HA 0.603 5.153 4.550 -0.000 0.000 0.333 321 Y C -2.056 173.847 175.900 0.006 0.000 1.190 321 Y CA -1.957 56.127 58.100 -0.027 0.000 1.063 321 Y CB 1.298 39.752 38.460 -0.010 0.000 1.294 321 Y HN 0.277 nan 8.280 nan 0.000 0.466 322 L N 3.043 124.151 121.223 -0.191 0.000 2.541 322 L HA 0.583 4.923 4.340 -0.000 0.000 0.266 322 L C -1.885 174.925 176.870 -0.101 0.000 0.966 322 L CA -0.613 54.076 54.840 -0.251 0.000 0.871 322 L CB 1.536 43.535 42.059 -0.100 0.000 1.232 322 L HN 0.684 nan 8.230 nan 0.000 0.408 323 V N 5.497 125.329 119.914 -0.137 0.000 2.432 323 V HA 0.416 4.536 4.120 -0.000 0.000 0.275 323 V C 0.017 176.093 176.094 -0.030 0.000 1.043 323 V CA -0.379 61.950 62.300 0.049 0.000 0.925 323 V CB 1.951 33.878 31.823 0.174 0.000 0.985 323 V HN 0.542 nan 8.190 nan 0.000 0.466 324 V N 7.418 127.294 119.914 -0.065 0.000 2.604 324 V HA 0.586 4.706 4.120 -0.000 0.000 0.305 324 V C -0.464 175.554 176.094 -0.127 0.000 1.043 324 V CA -0.496 61.753 62.300 -0.085 0.000 0.888 324 V CB 1.949 33.726 31.823 -0.076 0.000 0.995 324 V HN 0.758 nan 8.190 nan 0.000 0.429 325 I N 6.639 127.152 120.570 -0.095 0.000 2.371 325 I HA 0.370 4.540 4.170 -0.000 0.000 0.282 325 I C 0.361 176.432 176.117 -0.076 0.000 1.031 325 I CA -0.049 61.193 61.300 -0.096 0.000 1.180 325 I CB 0.887 38.846 38.000 -0.068 0.000 1.336 325 I HN 0.620 nan 8.210 nan 0.000 0.467 326 N N 6.540 125.190 118.700 -0.083 0.000 2.442 326 N HA 0.105 4.845 4.740 -0.000 0.000 0.265 326 N C -0.431 175.047 175.510 -0.053 0.000 1.138 326 N CA -0.291 52.721 53.050 -0.064 0.000 0.956 326 N CB 0.754 39.202 38.487 -0.065 0.000 1.067 326 N HN 0.478 nan 8.380 nan 0.000 0.474 327 K N 3.824 124.198 120.400 -0.042 0.000 2.367 327 K HA 0.198 4.518 4.320 -0.000 0.000 0.263 327 K C 0.226 176.808 176.600 -0.030 0.000 1.000 327 K CA -0.572 55.694 56.287 -0.034 0.000 0.891 327 K CB 0.895 33.377 32.500 -0.030 0.000 1.117 327 K HN 0.431 nan 8.250 nan 0.000 0.443 328 V N -0.332 119.565 119.914 -0.028 0.000 3.276 328 V HA 0.384 4.504 4.120 -0.000 0.000 0.319 328 V C -0.272 175.810 176.094 -0.020 0.000 1.427 328 V CA -0.307 61.979 62.300 -0.023 0.000 1.102 328 V CB 0.255 32.064 31.823 -0.024 0.000 1.020 328 V HN 0.668 nan 8.190 nan 0.000 0.456 329 D N -0.697 119.691 120.400 -0.019 0.000 2.753 329 D HA 0.273 4.913 4.640 -0.000 0.000 0.224 329 D C 0.431 176.722 176.300 -0.015 0.000 1.213 329 D CA -0.165 53.826 54.000 -0.016 0.000 0.833 329 D CB 3.327 44.118 40.800 -0.015 0.000 1.607 329 D HN -0.130 nan 8.370 nan 0.000 0.463 330 V N 3.113 123.019 119.914 -0.013 0.000 2.913 330 V HA -0.015 4.105 4.120 -0.000 0.000 0.260 330 V C 0.840 176.927 176.094 -0.011 0.000 1.098 330 V CA 1.098 63.391 62.300 -0.012 0.000 1.121 330 V CB 0.153 31.970 31.823 -0.010 0.000 0.714 330 V HN 0.353 nan 8.190 nan 0.000 0.487 331 V N 2.264 122.172 119.914 -0.011 0.000 2.326 331 V HA 0.274 4.394 4.120 -0.000 0.000 0.249 331 V C 0.411 176.499 176.094 -0.011 0.000 1.114 331 V CA -0.246 62.048 62.300 -0.010 0.000 1.028 331 V CB 0.280 32.097 31.823 -0.009 0.000 1.170 331 V HN 0.632 nan 8.190 nan 0.000 0.494 332 E N 5.718 125.912 120.200 -0.011 0.000 1.941 332 E HA 0.222 4.572 4.350 -0.000 0.000 0.275 332 E C -0.068 176.527 176.600 -0.009 0.000 1.113 332 E CA -0.198 56.195 56.400 -0.012 0.000 0.878 332 E CB 0.375 30.068 29.700 -0.012 0.000 1.070 332 E HN 0.640 nan 8.360 nan 0.000 0.399 333 K N 5.053 125.448 120.400 -0.010 0.000 2.805 333 K HA 0.356 4.676 4.320 -0.000 0.000 0.227 333 K C -0.578 176.019 176.600 -0.006 0.000 1.207 333 K CA -0.110 56.173 56.287 -0.006 0.000 1.153 333 K CB 0.333 32.830 32.500 -0.006 0.000 1.688 333 K HN 0.472 nan 8.250 nan 0.000 0.467 334 I N -0.051 120.516 120.570 -0.006 0.000 2.743 334 I HA 0.107 4.277 4.170 -0.000 0.000 0.292 334 I C -1.561 174.556 176.117 0.000 0.000 1.343 334 I CA -0.698 60.600 61.300 -0.004 0.000 1.038 334 I CB 1.918 39.911 38.000 -0.012 0.000 1.311 334 I HN 0.264 nan 8.210 nan 0.000 0.426 335 N N 6.152 124.856 118.700 0.007 0.000 2.415 335 N HA 0.083 4.823 4.740 -0.000 0.000 0.246 335 N C 0.474 175.992 175.510 0.014 0.000 1.078 335 N CA -0.085 52.971 53.050 0.010 0.000 0.942 335 N CB 0.790 39.286 38.487 0.014 0.000 1.140 335 N HN 0.701 nan 8.380 nan 0.000 0.501 336 E N 2.432 122.638 120.200 0.009 0.000 2.489 336 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 336 E C 0.817 177.427 176.600 0.018 0.000 1.057 336 E CA 0.350 56.757 56.400 0.012 0.000 0.866 336 E CB 0.432 30.134 29.700 0.002 0.000 0.916 336 E HN 0.630 nan 8.360 nan 0.000 0.500 337 E N 1.319 121.529 120.200 0.016 0.000 2.075 337 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 337 E C 1.734 178.348 176.600 0.025 0.000 0.969 337 E CA 1.152 57.562 56.400 0.017 0.000 0.815 337 E CB -0.150 29.558 29.700 0.012 0.000 0.776 337 E HN 0.296 nan 8.360 nan 0.000 0.457 338 E N 0.615 120.831 120.200 0.026 0.000 2.065 338 E HA -0.252 4.098 4.350 -0.000 0.000 0.201 338 E C 2.287 178.912 176.600 0.042 0.000 1.016 338 E CA 1.863 58.281 56.400 0.030 0.000 0.818 338 E CB -0.455 29.263 29.700 0.030 0.000 0.749 338 E HN 0.468 nan 8.360 nan 0.000 0.453 339 I N 0.685 121.286 120.570 0.053 0.000 2.118 339 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 339 I C 2.527 178.690 176.117 0.077 0.000 1.070 339 I CA 1.610 62.956 61.300 0.077 0.000 1.327 339 I CB -0.262 37.793 38.000 0.092 0.000 1.034 339 I HN 0.083 nan 8.210 nan 0.000 0.405 340 K N 1.119 121.555 120.400 0.059 0.000 2.173 340 K HA -0.258 4.062 4.320 -0.000 0.000 0.207 340 K C 1.614 178.244 176.600 0.050 0.000 1.046 340 K CA 2.204 58.522 56.287 0.052 0.000 0.929 340 K CB -0.466 32.053 32.500 0.031 0.000 0.720 340 K HN 0.487 nan 8.250 nan 0.000 0.453 341 N N 0.274 118.999 118.700 0.042 0.000 2.197 341 N HA -0.076 4.664 4.740 -0.000 0.000 0.184 341 N C 1.478 177.011 175.510 0.038 0.000 1.030 341 N CA 0.900 53.970 53.050 0.034 0.000 0.851 341 N CB -0.246 38.256 38.487 0.026 0.000 1.003 341 N HN 0.010 nan 8.380 nan 0.000 0.430 342 K N 0.642 121.067 120.400 0.042 0.000 2.360 342 K HA 0.073 4.393 4.320 -0.000 0.000 0.201 342 K C 0.597 177.222 176.600 0.041 0.000 1.046 342 K CA 0.909 57.218 56.287 0.037 0.000 0.940 342 K CB -0.089 32.436 32.500 0.041 0.000 0.748 342 K HN 0.213 nan 8.250 nan 0.000 0.465 343 L N -1.571 119.695 121.223 0.071 0.000 2.910 343 L HA 0.282 4.622 4.340 -0.000 0.000 0.252 343 L C 1.057 177.989 176.870 0.103 0.000 1.195 343 L CA 0.126 55.025 54.840 0.098 0.000 1.003 343 L CB 0.338 42.517 42.059 0.200 0.000 1.328 343 L HN 0.343 nan 8.230 nan 0.000 0.540 344 G N 0.406 109.245 108.800 0.066 0.000 2.216 344 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.269 344 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.269 344 G C 0.411 175.346 174.900 0.059 0.000 0.981 344 G CA 1.084 46.217 45.100 0.056 0.000 0.658 344 G HN 0.437 nan 8.290 nan 0.000 0.539 345 T N -2.030 112.568 114.554 0.073 0.000 2.661 345 T HA 0.459 4.809 4.350 -0.000 0.000 0.303 345 T C -0.487 174.233 174.700 0.032 0.000 1.658 345 T CA 0.926 63.048 62.100 0.036 0.000 0.974 345 T CB 0.726 69.601 68.868 0.011 0.000 1.857 345 T HN 0.404 nan 8.240 nan 0.000 0.475 346 D N -0.612 119.772 120.400 -0.026 0.000 2.490 346 D HA 0.131 4.771 4.640 -0.000 0.000 0.246 346 D C 1.329 177.566 176.300 -0.104 0.000 1.196 346 D CA -0.255 53.727 54.000 -0.031 0.000 0.812 346 D CB -0.027 40.759 40.800 -0.023 0.000 1.191 346 D HN 0.490 nan 8.370 nan 0.000 0.531 347 R N 0.202 120.577 120.500 -0.209 0.000 2.170 347 R HA -0.091 4.249 4.340 -0.000 0.000 0.242 347 R C 0.700 176.757 176.300 -0.405 0.000 1.145 347 R CA 1.139 57.030 56.100 -0.348 0.000 0.984 347 R CB -0.381 29.606 30.300 -0.523 0.000 0.869 347 R HN 0.345 nan 8.270 nan 0.000 0.455 348 H N -0.156 118.864 119.070 -0.082 0.000 2.488 348 H HA 0.238 4.794 4.556 -0.000 0.000 0.294 348 H C 0.179 175.323 175.328 -0.306 0.000 1.088 348 H CA 0.051 55.957 56.048 -0.237 0.000 1.086 348 H CB -0.066 29.471 29.762 -0.375 0.000 1.569 348 H HN 0.231 nan 8.280 nan 0.000 0.548 349 M N -1.392 118.155 119.600 -0.088 0.000 2.446 349 M HA 0.596 5.076 4.480 -0.000 0.000 0.294 349 M C -1.709 174.560 176.300 -0.051 0.000 1.158 349 M CA -1.072 54.188 55.300 -0.067 0.000 0.899 349 M CB 3.367 35.960 32.600 -0.012 0.000 1.687 349 M HN -0.138 nan 8.290 nan 0.000 0.455 350 V N 1.873 121.758 119.914 -0.049 0.000 2.962 350 V HA 0.643 4.763 4.120 -0.000 0.000 0.313 350 V C -1.409 174.660 176.094 -0.041 0.000 1.099 350 V CA -0.559 61.716 62.300 -0.042 0.000 0.971 350 V CB 2.626 34.423 31.823 -0.042 0.000 1.028 350 V HN 0.986 nan 8.190 nan 0.000 0.430 351 K N 5.501 125.880 120.400 -0.036 0.000 2.394 351 K HA 0.583 4.903 4.320 -0.000 0.000 0.260 351 K C -1.290 175.289 176.600 -0.035 0.000 0.967 351 K CA -0.519 55.746 56.287 -0.037 0.000 0.855 351 K CB 1.330 33.812 32.500 -0.030 0.000 1.101 351 K HN 0.658 nan 8.250 nan 0.000 0.433 352 I N 2.732 123.278 120.570 -0.040 0.000 2.330 352 I HA 0.079 4.249 4.170 -0.000 0.000 0.286 352 I C 0.081 176.178 176.117 -0.035 0.000 1.025 352 I CA -0.352 60.926 61.300 -0.037 0.000 1.197 352 I CB 1.670 39.646 38.000 -0.040 0.000 1.358 352 I HN 0.415 nan 8.210 nan 0.000 0.467 353 S N 4.382 120.064 115.700 -0.029 0.000 2.475 353 S HA 0.506 4.975 4.470 -0.000 0.000 0.281 353 S C 1.021 175.606 174.600 -0.025 0.000 1.198 353 S CA -0.293 57.891 58.200 -0.027 0.000 1.063 353 S CB 1.494 64.680 63.200 -0.023 0.000 0.972 353 S HN 0.711 nan 8.310 nan 0.000 0.486 354 A N 5.048 127.853 122.820 -0.025 0.000 1.930 354 A HA 0.112 4.432 4.320 -0.000 0.000 0.215 354 A C 1.824 179.396 177.584 -0.020 0.000 1.176 354 A CA 0.766 52.789 52.037 -0.023 0.000 0.632 354 A CB -0.631 18.355 19.000 -0.023 0.000 0.819 354 A HN 0.768 nan 8.150 nan 0.000 0.445 355 L N 0.002 121.213 121.223 -0.019 0.000 2.043 355 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 355 L C 2.354 179.215 176.870 -0.016 0.000 1.075 355 L CA 1.892 56.722 54.840 -0.016 0.000 0.752 355 L CB -0.327 41.723 42.059 -0.015 0.000 0.891 355 L HN 0.287 nan 8.230 nan 0.000 0.432 356 K N -0.646 119.744 120.400 -0.017 0.000 2.439 356 K HA 0.046 4.366 4.320 -0.000 0.000 0.197 356 K C 0.855 177.445 176.600 -0.016 0.000 1.041 356 K CA 0.684 56.962 56.287 -0.016 0.000 0.970 356 K CB -0.018 32.472 32.500 -0.017 0.000 0.773 356 K HN 0.456 nan 8.250 nan 0.000 0.479 357 G N 1.947 110.736 108.800 -0.018 0.000 2.164 357 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.212 357 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.212 357 G C -0.709 174.179 174.900 -0.020 0.000 1.031 357 G CA -0.240 44.849 45.100 -0.018 0.000 0.730 357 G HN 0.365 nan 8.290 nan 0.000 0.501 358 E N -0.655 119.532 120.200 -0.022 0.000 2.202 358 E HA 0.724 5.074 4.350 -0.000 0.000 0.272 358 E C 0.771 177.355 176.600 -0.027 0.000 0.951 358 E CA -0.280 56.106 56.400 -0.024 0.000 0.813 358 E CB 2.058 31.743 29.700 -0.025 0.000 1.151 358 E HN 0.612 nan 8.360 nan 0.000 0.398 359 G N 0.825 109.607 108.800 -0.029 0.000 2.795 359 G HA2 0.026 3.985 3.960 -0.000 0.000 0.127 359 G HA3 0.026 3.985 3.960 -0.000 0.000 0.127 359 G C 0.025 174.904 174.900 -0.035 0.000 1.203 359 G CA -0.564 44.518 45.100 -0.031 0.000 1.145 359 G HN 0.414 nan 8.290 nan 0.000 0.580 360 L N 1.116 122.318 121.223 -0.035 0.000 2.129 360 L HA 0.022 4.361 4.340 -0.000 0.000 0.212 360 L C 2.493 179.339 176.870 -0.041 0.000 1.087 360 L CA 2.740 57.556 54.840 -0.039 0.000 0.757 360 L CB -0.676 41.361 42.059 -0.037 0.000 0.896 360 L HN 0.585 nan 8.230 nan 0.000 0.434 361 E N -0.576 119.601 120.200 -0.037 0.000 2.106 361 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 361 E C 2.198 178.777 176.600 -0.035 0.000 0.984 361 E CA 1.351 57.729 56.400 -0.038 0.000 0.806 361 E CB -0.257 29.422 29.700 -0.034 0.000 0.750 361 E HN 0.475 nan 8.360 nan 0.000 0.458 362 K N 0.261 120.642 120.400 -0.032 0.000 2.116 362 K HA -0.055 4.264 4.320 -0.000 0.000 0.203 362 K C 2.000 178.583 176.600 -0.029 0.000 1.052 362 K CA 0.491 56.762 56.287 -0.028 0.000 0.952 362 K CB -0.029 32.455 32.500 -0.027 0.000 0.729 362 K HN 0.093 nan 8.250 nan 0.000 0.446 363 L N 1.952 123.152 121.223 -0.037 0.000 2.046 363 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 363 L C 1.757 178.600 176.870 -0.045 0.000 1.077 363 L CA 1.789 56.602 54.840 -0.045 0.000 0.747 363 L CB -0.318 41.708 42.059 -0.056 0.000 0.896 363 L HN 0.206 nan 8.230 nan 0.000 0.432 364 E N -0.516 119.656 120.200 -0.046 0.000 2.023 364 E HA -0.280 4.070 4.350 -0.000 0.000 0.196 364 E C 1.943 178.546 176.600 0.005 0.000 1.003 364 E CA 1.482 57.856 56.400 -0.042 0.000 0.809 364 E CB -0.162 29.506 29.700 -0.052 0.000 0.755 364 E HN 0.405 nan 8.360 nan 0.000 0.449 365 E N 0.107 120.310 120.200 0.005 0.000 2.515 365 E HA -0.041 4.309 4.350 -0.000 0.000 0.201 365 E C 1.586 178.239 176.600 0.088 0.000 1.071 365 E CA 0.263 56.697 56.400 0.057 0.000 0.880 365 E CB 0.040 29.750 29.700 0.018 0.000 0.828 365 E HN -0.021 nan 8.360 nan 0.000 0.540 366 S N -1.143 114.580 115.700 0.039 0.000 2.456 366 S HA 0.180 4.650 4.470 -0.000 0.000 0.224 366 S C 1.605 176.217 174.600 0.020 0.000 1.035 366 S CA -0.060 58.152 58.200 0.020 0.000 0.940 366 S CB 0.082 63.275 63.200 -0.012 0.000 0.799 366 S HN 0.265 nan 8.310 nan 0.000 0.508 367 I N 0.401 120.979 120.570 0.013 0.000 2.617 367 I HA -0.085 4.085 4.170 -0.000 0.000 0.256 367 I C 1.994 178.168 176.117 0.096 0.000 1.167 367 I CA 0.923 62.219 61.300 -0.006 0.000 1.469 367 I CB -0.171 37.754 38.000 -0.125 0.000 1.098 367 I HN 0.377 nan 8.210 nan 0.000 0.436 368 Y N 1.450 121.750 120.300 0.001 0.000 2.286 368 Y HA -0.135 4.414 4.550 -0.000 0.000 0.293 368 Y C 2.643 178.558 175.900 0.025 0.000 1.124 368 Y CA 1.366 59.485 58.100 0.031 0.000 1.178 368 Y CB -0.240 38.211 38.460 -0.015 0.000 1.010 368 Y HN -0.063 nan 8.280 nan 0.000 0.536 369 R N 0.217 120.705 120.500 -0.020 0.000 2.115 369 R HA -0.128 4.212 4.340 -0.000 0.000 0.230 369 R C 1.662 177.907 176.300 -0.092 0.000 1.111 369 R CA 1.500 57.539 56.100 -0.102 0.000 0.976 369 R CB -0.018 30.279 30.300 -0.005 0.000 0.870 369 R HN 0.299 nan 8.270 nan 0.000 0.445 370 E N -0.428 119.752 120.200 -0.034 0.000 2.358 370 E HA -0.078 4.272 4.350 -0.000 0.000 0.195 370 E C 1.259 177.850 176.600 -0.015 0.000 1.010 370 E CA 1.401 57.797 56.400 -0.007 0.000 0.856 370 E CB 0.395 30.096 29.700 0.003 0.000 0.795 370 E HN 0.437 nan 8.360 nan 0.000 0.504 371 T N -2.784 111.747 114.554 -0.039 0.000 3.228 371 T HA 0.125 4.475 4.350 -0.000 0.000 0.278 371 T C 1.370 175.984 174.700 -0.144 0.000 1.014 371 T CA -0.199 61.891 62.100 -0.017 0.000 0.904 371 T CB 0.530 69.483 68.868 0.141 0.000 1.110 371 T HN -0.059 nan 8.240 nan 0.000 0.541 372 Q N 2.105 121.723 119.800 -0.303 0.000 2.119 372 Q HA -0.144 4.196 4.340 -0.000 0.000 0.201 372 Q C 2.123 178.061 176.000 -0.103 0.000 0.972 372 Q CA 2.072 57.625 55.803 -0.417 0.000 0.847 372 Q CB -0.176 28.298 28.738 -0.440 0.000 0.903 372 Q HN 0.855 nan 8.270 nan 0.000 0.433 373 E N 0.240 120.408 120.200 -0.054 0.000 2.047 373 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 373 E C 1.968 178.583 176.600 0.025 0.000 0.987 373 E CA 1.402 57.802 56.400 0.000 0.000 0.799 373 E CB -0.591 29.106 29.700 -0.005 0.000 0.752 373 E HN 0.470 nan 8.360 nan 0.000 0.449 374 I N 0.453 121.032 120.570 0.016 0.000 2.530 374 I HA -0.209 3.961 4.170 -0.000 0.000 0.257 374 I C 2.188 178.327 176.117 0.037 0.000 1.179 374 I CA 0.975 62.281 61.300 0.009 0.000 1.440 374 I CB -0.223 37.774 38.000 -0.005 0.000 1.087 374 I HN 0.129 nan 8.210 nan 0.000 0.440 375 F N 1.686 121.599 119.950 -0.060 0.000 2.187 375 F HA -0.097 4.430 4.527 -0.000 0.000 0.295 375 F C 2.323 178.112 175.800 -0.018 0.000 1.091 375 F CA 1.346 59.331 58.000 -0.026 0.000 1.308 375 F CB -0.142 38.865 39.000 0.011 0.000 1.030 375 F HN 0.002 nan 8.300 nan 0.000 0.487 376 E N -0.118 120.212 120.200 0.216 0.000 2.268 376 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 376 E C 2.152 178.738 176.600 -0.024 0.000 0.995 376 E CA 0.639 57.107 56.400 0.113 0.000 0.836 376 E CB -0.083 29.694 29.700 0.128 0.000 0.763 376 E HN 0.425 nan 8.360 nan 0.000 0.491 377 R N 0.198 120.673 120.500 -0.042 0.000 2.055 377 R HA 0.004 4.344 4.340 -0.000 0.000 0.221 377 R C 2.118 178.352 176.300 -0.109 0.000 1.154 377 R CA 1.083 57.146 56.100 -0.063 0.000 0.975 377 R CB -0.109 30.166 30.300 -0.043 0.000 0.869 377 R HN 0.118 nan 8.270 nan 0.000 0.437 378 G N -0.688 108.032 108.800 -0.134 0.000 3.181 378 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.219 378 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.219 378 G C 0.936 175.698 174.900 -0.229 0.000 1.182 378 G CA 0.020 45.026 45.100 -0.157 0.000 0.791 378 G HN 0.291 nan 8.290 nan 0.000 0.537 379 S N 1.143 116.647 115.700 -0.327 0.000 2.383 379 S HA -0.100 4.370 4.470 -0.000 0.000 0.227 379 S C 1.473 175.915 174.600 -0.263 0.000 1.026 379 S CA 1.516 59.446 58.200 -0.450 0.000 0.981 379 S CB 0.012 62.807 63.200 -0.675 0.000 0.818 379 S HN 0.569 nan 8.310 nan 0.000 0.472 380 D N 0.281 120.567 120.400 -0.190 0.000 2.804 380 D HA 0.231 4.871 4.640 -0.000 0.000 0.308 380 D C -0.206 176.012 176.300 -0.136 0.000 1.371 380 D CA -0.184 53.732 54.000 -0.140 0.000 0.823 380 D CB -0.244 40.492 40.800 -0.107 0.000 1.126 380 D HN 0.129 nan 8.370 nan 0.000 0.467 381 S N 0.267 115.880 115.700 -0.145 0.000 2.565 381 S HA 0.206 4.676 4.470 -0.000 0.000 0.276 381 S C 0.914 175.429 174.600 -0.142 0.000 1.326 381 S CA -0.471 57.642 58.200 -0.145 0.000 1.045 381 S CB 0.640 63.761 63.200 -0.131 0.000 0.918 381 S HN 0.131 nan 8.310 nan 0.000 0.505 382 L N 4.924 126.043 121.223 -0.174 0.000 2.298 382 L HA 0.412 4.752 4.340 -0.000 0.000 0.209 382 L C 0.584 177.386 176.870 -0.114 0.000 1.084 382 L CA 0.810 55.558 54.840 -0.153 0.000 0.816 382 L CB -0.410 41.513 42.059 -0.227 0.000 0.967 382 L HN 0.662 nan 8.230 nan 0.000 0.460 383 I N 0.268 120.765 120.570 -0.122 0.000 2.436 383 I HA 0.012 4.182 4.170 -0.000 0.000 0.289 383 I C 1.176 177.248 176.117 -0.075 0.000 1.083 383 I CA 0.203 61.456 61.300 -0.078 0.000 1.372 383 I CB 0.754 38.713 38.000 -0.070 0.000 1.408 383 I HN 0.196 nan 8.210 nan 0.000 0.516 384 T N 1.045 115.561 114.554 -0.064 0.000 3.010 384 T HA 0.230 4.580 4.350 -0.000 0.000 0.257 384 T C 0.175 174.838 174.700 -0.062 0.000 1.020 384 T CA -0.275 61.785 62.100 -0.067 0.000 0.938 384 T CB -0.237 68.591 68.868 -0.067 0.000 1.049 384 T HN 0.711 nan 8.240 nan 0.000 0.522 385 N N -0.919 117.749 118.700 -0.053 0.000 3.020 385 N HA 0.374 5.114 4.740 -0.000 0.000 0.248 385 N C 0.331 175.818 175.510 -0.039 0.000 1.480 385 N CA -1.037 51.983 53.050 -0.049 0.000 0.874 385 N CB 0.360 38.814 38.487 -0.055 0.000 1.433 385 N HN -0.130 nan 8.380 nan 0.000 0.530 386 L N 0.027 121.229 121.223 -0.035 0.000 1.944 386 L HA -0.157 4.183 4.340 -0.000 0.000 0.218 386 L C 2.587 179.445 176.870 -0.019 0.000 1.075 386 L CA 1.999 56.823 54.840 -0.026 0.000 0.767 386 L CB -0.552 41.493 42.059 -0.024 0.000 0.890 386 L HN 0.820 nan 8.230 nan 0.000 0.434 387 R N -0.043 120.444 120.500 -0.021 0.000 2.206 387 R HA -0.311 4.029 4.340 -0.000 0.000 0.240 387 R C 2.227 178.525 176.300 -0.004 0.000 1.117 387 R CA 2.775 58.868 56.100 -0.013 0.000 0.915 387 R CB -0.467 29.819 30.300 -0.024 0.000 0.888 387 R HN 0.513 nan 8.270 nan 0.000 0.432 388 Q N -0.198 119.597 119.800 -0.008 0.000 2.173 388 Q HA -0.252 4.088 4.340 -0.000 0.000 0.208 388 Q C 2.200 178.207 176.000 0.012 0.000 0.989 388 Q CA 2.060 57.867 55.803 0.006 0.000 0.872 388 Q CB -0.218 28.519 28.738 -0.002 0.000 0.909 388 Q HN 0.420 nan 8.270 nan 0.000 0.420 389 K N 0.593 120.992 120.400 -0.002 0.000 2.044 389 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 389 K C 2.162 178.764 176.600 0.003 0.000 1.049 389 K CA 0.851 57.136 56.287 -0.002 0.000 0.945 389 K CB 0.171 32.662 32.500 -0.016 0.000 0.724 389 K HN 0.178 nan 8.250 nan 0.000 0.440 390 Q N 0.793 120.593 119.800 -0.000 0.000 2.030 390 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 390 Q C 2.346 178.352 176.000 0.010 0.000 0.986 390 Q CA 1.618 57.421 55.803 0.001 0.000 0.843 390 Q CB -0.311 28.428 28.738 0.000 0.000 0.904 390 Q HN 0.362 nan 8.270 nan 0.000 0.420 391 L N 0.473 121.708 121.223 0.020 0.000 2.013 391 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 391 L C 2.491 179.384 176.870 0.038 0.000 1.073 391 L CA 1.138 55.998 54.840 0.034 0.000 0.753 391 L CB -0.465 41.619 42.059 0.042 0.000 0.890 391 L HN 0.235 nan 8.230 nan 0.000 0.432 392 L N -0.864 120.384 121.223 0.043 0.000 2.201 392 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 392 L C 2.472 179.362 176.870 0.034 0.000 1.105 392 L CA 1.024 55.898 54.840 0.056 0.000 0.775 392 L CB -0.428 41.682 42.059 0.086 0.000 0.913 392 L HN 0.311 nan 8.230 nan 0.000 0.440 393 E N -0.312 119.895 120.200 0.013 0.000 2.152 393 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 393 E C 1.773 178.349 176.600 -0.040 0.000 0.983 393 E CA 0.495 56.889 56.400 -0.009 0.000 0.818 393 E CB -0.088 29.603 29.700 -0.015 0.000 0.758 393 E HN 0.414 nan 8.360 nan 0.000 0.467 394 N N 0.993 119.670 118.700 -0.037 0.000 2.120 394 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 394 N C 1.893 177.344 175.510 -0.098 0.000 1.024 394 N CA 0.831 53.828 53.050 -0.088 0.000 0.852 394 N CB 0.082 38.561 38.487 -0.013 0.000 1.003 394 N HN -0.006 nan 8.380 nan 0.000 0.424 395 V N 1.515 121.434 119.914 0.008 0.000 2.407 395 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 395 V C 2.546 178.648 176.094 0.013 0.000 1.055 395 V CA 1.377 63.709 62.300 0.053 0.000 1.049 395 V CB -0.451 31.405 31.823 0.055 0.000 0.662 395 V HN 0.349 nan 8.190 nan 0.000 0.455 396 K N 0.087 120.481 120.400 -0.010 0.000 2.103 396 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 396 K C 2.127 178.699 176.600 -0.045 0.000 1.048 396 K CA 1.556 57.836 56.287 -0.012 0.000 0.930 396 K CB -0.543 31.952 32.500 -0.008 0.000 0.716 396 K HN 0.521 nan 8.250 nan 0.000 0.444 397 G N 0.240 108.967 108.800 -0.122 0.000 2.552 397 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 397 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 397 G C 1.029 175.846 174.900 -0.139 0.000 1.240 397 G CA 1.346 46.334 45.100 -0.186 0.000 0.796 397 G HN 0.489 nan 8.290 nan 0.000 0.568 398 H N -0.404 118.667 119.070 0.002 0.000 2.457 398 H HA -0.015 4.541 4.556 -0.000 0.000 0.297 398 H C 2.423 177.750 175.328 -0.002 0.000 1.092 398 H CA 0.585 56.632 56.048 -0.001 0.000 1.309 398 H CB -0.005 29.756 29.762 -0.002 0.000 1.382 398 H HN 0.215 nan 8.280 nan 0.000 0.535 399 L N 0.701 121.976 121.223 0.087 0.000 2.201 399 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 399 L C 1.918 178.807 176.870 0.032 0.000 1.105 399 L CA 1.509 56.378 54.840 0.050 0.000 0.775 399 L CB -0.177 41.899 42.059 0.029 0.000 0.913 399 L HN 0.308 nan 8.230 nan 0.000 0.440 400 E N -0.940 119.273 120.200 0.022 0.000 2.112 400 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 400 E C 1.567 178.180 176.600 0.021 0.000 0.979 400 E CA 0.927 57.335 56.400 0.013 0.000 0.814 400 E CB -0.013 29.685 29.700 -0.002 0.000 0.762 400 E HN 0.468 nan 8.360 nan 0.000 0.460 401 D N 1.196 121.618 120.400 0.037 0.000 2.084 401 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 401 D C 1.977 178.297 176.300 0.032 0.000 0.990 401 D CA 1.420 55.444 54.000 0.041 0.000 0.826 401 D CB -0.424 40.419 40.800 0.072 0.000 0.971 401 D HN 0.153 nan 8.370 nan 0.000 0.453 402 A N 1.241 124.083 122.820 0.037 0.000 1.883 402 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 402 A C 2.248 179.842 177.584 0.016 0.000 1.186 402 A CA 2.032 54.083 52.037 0.023 0.000 0.624 402 A CB -0.868 18.145 19.000 0.022 0.000 0.822 402 A HN 0.374 nan 8.150 nan 0.000 0.444 403 I N -1.770 118.810 120.570 0.016 0.000 2.614 403 I HA -0.040 4.130 4.170 -0.000 0.000 0.258 403 I C 1.868 177.991 176.117 0.010 0.000 1.189 403 I CA 1.988 63.295 61.300 0.011 0.000 1.462 403 I CB -0.381 37.625 38.000 0.010 0.000 1.092 403 I HN 0.311 nan 8.210 nan 0.000 0.442 404 K N 0.950 121.357 120.400 0.011 0.000 2.020 404 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 404 K C 2.330 178.935 176.600 0.009 0.000 1.038 404 K CA 1.252 57.544 56.287 0.009 0.000 0.947 404 K CB -0.392 32.115 32.500 0.011 0.000 0.744 404 K HN 0.288 nan 8.250 nan 0.000 0.442 405 S N 1.217 116.923 115.700 0.010 0.000 2.401 405 S HA -0.226 4.244 4.470 -0.000 0.000 0.236 405 S C 2.026 176.629 174.600 0.006 0.000 1.058 405 S CA 1.997 60.202 58.200 0.008 0.000 1.151 405 S CB -0.627 62.578 63.200 0.009 0.000 1.049 405 S HN 0.373 nan 8.310 nan 0.000 0.432 406 L N 0.878 122.105 121.223 0.006 0.000 2.021 406 L HA -0.255 4.085 4.340 -0.000 0.000 0.215 406 L C 2.687 179.559 176.870 0.005 0.000 1.074 406 L CA 2.076 56.919 54.840 0.005 0.000 0.760 406 L CB -0.746 41.316 42.059 0.005 0.000 0.889 406 L HN 0.376 nan 8.230 nan 0.000 0.433 407 K N 0.317 120.720 120.400 0.005 0.000 1.991 407 K HA -0.195 4.125 4.320 -0.000 0.000 0.212 407 K C 1.615 178.217 176.600 0.004 0.000 1.049 407 K CA 1.658 57.948 56.287 0.005 0.000 0.932 407 K CB -0.254 32.249 32.500 0.005 0.000 0.717 407 K HN 0.396 nan 8.250 nan 0.000 0.441 408 E N 0.050 120.253 120.200 0.005 0.000 2.482 408 E HA -0.045 4.304 4.350 -0.000 0.000 0.200 408 E C 0.925 177.527 176.600 0.004 0.000 1.147 408 E CA 0.280 56.682 56.400 0.004 0.000 0.912 408 E CB -0.188 29.514 29.700 0.004 0.000 0.938 408 E HN 0.564 nan 8.360 nan 0.000 0.519 409 G N 1.349 110.151 108.800 0.004 0.000 2.284 409 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.268 409 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.268 409 G C 0.627 175.529 174.900 0.003 0.000 0.980 409 G CA 0.608 45.711 45.100 0.004 0.000 0.631 409 G HN 0.214 nan 8.290 nan 0.000 0.548 410 M N 0.837 120.439 119.600 0.003 0.000 2.214 410 M HA 0.048 4.528 4.480 -0.000 0.000 0.306 410 M C -1.647 174.654 176.300 0.001 0.000 0.998 410 M CA -0.151 55.151 55.300 0.002 0.000 1.071 410 M CB -0.883 31.719 32.600 0.003 0.000 1.466 410 M HN -0.027 nan 8.290 nan 0.000 0.433 411 P HA -0.016 nan 4.420 nan 0.000 0.266 411 P C 0.878 178.176 177.300 -0.003 0.000 1.195 411 P CA -0.103 62.996 63.100 -0.001 0.000 0.768 411 P CB 0.228 31.927 31.700 -0.003 0.000 0.838 412 V N -0.017 119.895 119.914 -0.003 0.000 3.186 412 V HA -0.192 3.928 4.120 -0.000 0.000 0.270 412 V C 1.481 177.569 176.094 -0.010 0.000 1.149 412 V CA 1.719 64.016 62.300 -0.005 0.000 1.160 412 V CB -1.040 30.780 31.823 -0.005 0.000 0.758 412 V HN 0.505 nan 8.190 nan 0.000 0.516 413 D N 0.593 120.986 120.400 -0.011 0.000 2.117 413 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 413 D C 1.971 178.262 176.300 -0.015 0.000 0.987 413 D CA 2.161 56.151 54.000 -0.016 0.000 0.829 413 D CB 0.132 40.923 40.800 -0.015 0.000 0.961 413 D HN 0.556 nan 8.370 nan 0.000 0.460 414 M N 0.430 120.024 119.600 -0.011 0.000 2.123 414 M HA -0.045 4.435 4.480 -0.000 0.000 0.263 414 M C 2.532 178.827 176.300 -0.008 0.000 1.069 414 M CA 1.267 56.562 55.300 -0.009 0.000 1.133 414 M CB -0.155 32.443 32.600 -0.003 0.000 1.356 414 M HN -0.032 nan 8.290 nan 0.000 0.415 415 A N -0.390 122.428 122.820 -0.004 0.000 1.940 415 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 415 A C 2.277 179.856 177.584 -0.008 0.000 1.176 415 A CA 2.216 54.253 52.037 -0.001 0.000 0.631 415 A CB -0.954 18.046 19.000 0.001 0.000 0.814 415 A HN 0.488 nan 8.150 nan 0.000 0.446 416 S N -0.648 115.043 115.700 -0.015 0.000 2.423 416 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 416 S C 1.775 176.356 174.600 -0.031 0.000 1.014 416 S CA 1.204 59.391 58.200 -0.022 0.000 0.965 416 S CB -0.441 62.745 63.200 -0.024 0.000 0.785 416 S HN 0.377 nan 8.310 nan 0.000 0.495 417 I N 2.002 122.552 120.570 -0.033 0.000 2.406 417 I HA -0.024 4.146 4.170 -0.000 0.000 0.249 417 I C 1.848 177.921 176.117 -0.074 0.000 1.122 417 I CA 1.005 62.275 61.300 -0.049 0.000 1.431 417 I CB -1.358 36.616 38.000 -0.044 0.000 1.087 417 I HN 0.298 nan 8.210 nan 0.000 0.424 418 D N 0.830 121.196 120.400 -0.056 0.000 2.162 418 D HA -0.036 4.604 4.640 -0.000 0.000 0.203 418 D C 2.421 178.692 176.300 -0.048 0.000 0.967 418 D CA 0.708 54.666 54.000 -0.069 0.000 0.840 418 D CB 0.026 40.840 40.800 0.024 0.000 0.972 418 D HN 0.259 nan 8.370 nan 0.000 0.482 419 L N 0.683 121.893 121.223 -0.022 0.000 2.265 419 L HA -0.131 4.209 4.340 -0.000 0.000 0.215 419 L C 2.219 179.070 176.870 -0.033 0.000 1.117 419 L CA 0.948 55.780 54.840 -0.013 0.000 0.782 419 L CB -0.184 41.868 42.059 -0.012 0.000 0.914 419 L HN 0.008 nan 8.230 nan 0.000 0.441 420 E N -0.164 120.003 120.200 -0.055 0.000 2.170 420 E HA -0.186 4.163 4.350 -0.000 0.000 0.191 420 E C 2.164 178.716 176.600 -0.081 0.000 0.981 420 E CA 0.292 56.656 56.400 -0.060 0.000 0.830 420 E CB 0.272 29.936 29.700 -0.061 0.000 0.775 420 E HN 0.124 nan 8.360 nan 0.000 0.470 421 R N 0.282 120.697 120.500 -0.141 0.000 2.119 421 R HA 0.088 4.428 4.340 -0.000 0.000 0.222 421 R C 1.822 178.063 176.300 -0.098 0.000 1.088 421 R CA 1.314 57.289 56.100 -0.208 0.000 0.984 421 R CB -0.427 29.561 30.300 -0.521 0.000 0.884 421 R HN 0.132 nan 8.270 nan 0.000 0.447 422 A N 0.319 123.121 122.820 -0.030 0.000 2.019 422 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 422 A C 2.117 179.719 177.584 0.030 0.000 1.164 422 A CA 1.108 53.188 52.037 0.071 0.000 0.644 422 A CB -0.494 18.551 19.000 0.075 0.000 0.805 422 A HN 0.384 nan 8.150 nan 0.000 0.449 423 L N -0.888 120.334 121.223 -0.002 0.000 2.131 423 L HA -0.136 4.204 4.340 -0.000 0.000 0.206 423 L C 2.180 179.050 176.870 -0.000 0.000 1.087 423 L CA 1.248 56.085 54.840 -0.006 0.000 0.767 423 L CB -0.417 41.631 42.059 -0.018 0.000 0.917 423 L HN 0.530 nan 8.230 nan 0.000 0.441 424 N N -0.453 118.242 118.700 -0.007 0.000 2.058 424 N HA -0.213 4.527 4.740 -0.000 0.000 0.191 424 N C 1.650 177.174 175.510 0.024 0.000 1.037 424 N CA 0.842 53.891 53.050 -0.001 0.000 0.848 424 N CB -0.041 38.436 38.487 -0.017 0.000 1.021 424 N HN 0.051 nan 8.380 nan 0.000 0.422 425 L N 0.677 121.923 121.223 0.038 0.000 2.043 425 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 425 L C 1.928 178.832 176.870 0.056 0.000 1.075 425 L CA 1.305 56.181 54.840 0.060 0.000 0.752 425 L CB -0.879 41.235 42.059 0.091 0.000 0.891 425 L HN 0.243 nan 8.230 nan 0.000 0.432 426 L N -0.790 120.459 121.223 0.044 0.000 2.265 426 L HA -0.181 4.159 4.340 -0.000 0.000 0.215 426 L C 1.714 178.612 176.870 0.046 0.000 1.117 426 L CA 1.448 56.309 54.840 0.037 0.000 0.782 426 L CB -0.755 41.310 42.059 0.010 0.000 0.914 426 L HN 0.273 nan 8.230 nan 0.000 0.441 427 D N -1.285 119.144 120.400 0.048 0.000 2.348 427 D HA -0.041 4.598 4.640 -0.000 0.000 0.211 427 D C 1.801 178.161 176.300 0.099 0.000 0.998 427 D CA 0.411 54.450 54.000 0.065 0.000 0.873 427 D CB 0.227 41.053 40.800 0.044 0.000 0.925 427 D HN 0.398 nan 8.370 nan 0.000 0.524 428 E N 0.131 120.385 120.200 0.089 0.000 2.435 428 E HA -0.050 4.300 4.350 -0.000 0.000 0.195 428 E C 2.110 178.772 176.600 0.103 0.000 1.029 428 E CA 0.171 56.638 56.400 0.111 0.000 0.865 428 E CB 0.548 30.300 29.700 0.087 0.000 0.833 428 E HN 0.239 nan 8.360 nan 0.000 0.510 429 V N -0.686 119.281 119.914 0.088 0.000 2.331 429 V HA -0.115 4.004 4.120 -0.000 0.000 0.242 429 V C 2.399 178.546 176.094 0.087 0.000 1.034 429 V CA 1.786 64.131 62.300 0.074 0.000 1.027 429 V CB -0.885 30.983 31.823 0.074 0.000 0.667 429 V HN 0.211 nan 8.190 nan 0.000 0.457 430 T N -2.494 112.127 114.554 0.113 0.000 3.085 430 T HA 0.335 4.685 4.350 -0.000 0.000 0.263 430 T C 1.750 176.596 174.700 0.242 0.000 1.127 430 T CA 1.148 63.334 62.100 0.144 0.000 1.103 430 T CB 0.060 69.006 68.868 0.129 0.000 0.921 430 T HN 1.753 nan 8.240 nan 0.000 0.510 431 G N 1.627 110.587 108.800 0.268 0.000 2.175 431 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.244 431 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.244 431 G C 0.958 176.161 174.900 0.505 0.000 0.982 431 G CA 0.213 45.606 45.100 0.489 0.000 0.641 431 G HN 0.504 nan 8.290 nan 0.000 0.527 432 R N 0.100 120.762 120.500 0.270 0.000 2.211 432 R HA 0.056 4.396 4.340 -0.000 0.000 0.240 432 R C 0.606 176.983 176.300 0.128 0.000 1.144 432 R CA 1.526 57.720 56.100 0.156 0.000 0.992 432 R CB -0.138 30.211 30.300 0.082 0.000 0.869 432 R HN 0.405 nan 8.270 nan 0.000 0.462 433 S N -1.096 114.707 115.700 0.172 0.000 2.564 433 S HA 0.622 5.092 4.470 -0.000 0.000 0.274 433 S C -1.115 173.600 174.600 0.192 0.000 1.124 433 S CA -0.851 57.355 58.200 0.011 0.000 0.869 433 S CB 1.824 65.010 63.200 -0.022 0.000 1.105 433 S HN 0.231 nan 8.310 nan 0.000 0.472 434 F N -0.880 119.128 119.950 0.096 0.000 2.773 434 F HA 0.698 5.225 4.527 -0.000 0.000 0.314 434 F C -1.439 174.404 175.800 0.072 0.000 1.160 434 F CA -1.418 56.641 58.000 0.099 0.000 0.920 434 F CB 1.008 40.105 39.000 0.162 0.000 1.323 434 F HN 0.365 nan 8.300 nan 0.000 0.457 435 R N 1.121 121.837 120.500 0.359 0.000 2.393 435 R HA 0.338 4.678 4.340 -0.000 0.000 0.315 435 R C 0.347 176.819 176.300 0.286 0.000 0.952 435 R CA -0.778 55.458 56.100 0.226 0.000 0.842 435 R CB 2.092 32.467 30.300 0.125 0.000 1.163 435 R HN 0.766 nan 8.270 nan 0.000 0.450 436 E N 1.587 121.953 120.200 0.277 0.000 2.187 436 E HA -0.264 4.086 4.350 -0.000 0.000 0.199 436 E C 0.312 176.990 176.600 0.129 0.000 1.004 436 E CA 1.675 58.206 56.400 0.219 0.000 0.813 436 E CB 0.180 29.981 29.700 0.168 0.000 0.736 436 E HN 0.565 nan 8.360 nan 0.000 0.468 437 D N 0.708 121.170 120.400 0.103 0.000 2.087 437 D HA -0.151 4.489 4.640 -0.000 0.000 0.192 437 D C 1.909 178.246 176.300 0.062 0.000 0.993 437 D CA 0.685 54.727 54.000 0.069 0.000 0.828 437 D CB -0.274 40.559 40.800 0.056 0.000 0.968 437 D HN 0.035 nan 8.370 nan 0.000 0.448 438 L N 0.045 121.308 121.223 0.067 0.000 2.027 438 L HA -0.029 4.311 4.340 -0.000 0.000 0.206 438 L C 2.003 178.886 176.870 0.020 0.000 1.074 438 L CA 1.156 56.019 54.840 0.039 0.000 0.745 438 L CB -0.540 41.545 42.059 0.043 0.000 0.898 438 L HN 0.036 nan 8.230 nan 0.000 0.433 439 L N -0.611 120.642 121.223 0.049 0.000 2.261 439 L HA -0.232 4.108 4.340 -0.000 0.000 0.216 439 L C 1.896 178.828 176.870 0.103 0.000 1.114 439 L CA 1.681 56.535 54.840 0.023 0.000 0.777 439 L CB -0.644 41.404 42.059 -0.019 0.000 0.910 439 L HN 0.361 nan 8.230 nan 0.000 0.440 440 D N -1.871 118.577 120.400 0.080 0.000 2.216 440 D HA -0.087 4.553 4.640 -0.000 0.000 0.208 440 D C 2.154 178.499 176.300 0.075 0.000 0.960 440 D CA 1.610 55.662 54.000 0.086 0.000 0.861 440 D CB 0.009 40.844 40.800 0.058 0.000 0.985 440 D HN 0.467 nan 8.370 nan 0.000 0.493 441 T N -0.719 113.860 114.554 0.042 0.000 2.904 441 T HA -0.018 4.332 4.350 -0.000 0.000 0.267 441 T C 2.309 177.017 174.700 0.012 0.000 1.059 441 T CA 0.342 62.461 62.100 0.031 0.000 1.137 441 T CB -0.421 68.458 68.868 0.018 0.000 0.879 441 T HN 0.064 nan 8.240 nan 0.000 0.467 442 I N -0.035 120.502 120.570 -0.056 0.000 2.163 442 I HA -0.118 4.052 4.170 -0.000 0.000 0.243 442 I C 1.965 177.991 176.117 -0.152 0.000 1.085 442 I CA 1.717 62.909 61.300 -0.179 0.000 1.347 442 I CB -0.287 37.468 38.000 -0.410 0.000 1.044 442 I HN 0.198 nan 8.210 nan 0.000 0.408 443 F N 0.239 120.142 119.950 -0.078 0.000 2.743 443 F HA -0.068 4.459 4.527 -0.000 0.000 0.297 443 F C 2.735 178.517 175.800 -0.030 0.000 1.131 443 F CA 0.818 58.672 58.000 -0.243 0.000 1.426 443 F CB -0.562 38.154 39.000 -0.474 0.000 1.116 443 F HN 0.087 nan 8.300 nan 0.000 0.583 444 S N 0.850 116.653 115.700 0.171 0.000 2.423 444 S HA -0.206 4.264 4.470 -0.000 0.000 0.231 444 S C 1.164 175.862 174.600 0.164 0.000 1.014 444 S CA 1.265 59.545 58.200 0.134 0.000 0.965 444 S CB -1.076 62.175 63.200 0.085 0.000 0.785 444 S HN 0.545 nan 8.310 nan 0.000 0.495 445 N N -0.033 118.788 118.700 0.202 0.000 2.451 445 N HA 0.339 5.079 4.740 -0.000 0.000 0.264 445 N C -0.166 175.490 175.510 0.244 0.000 1.167 445 N CA -0.525 52.626 53.050 0.168 0.000 0.898 445 N CB -0.274 38.263 38.487 0.085 0.000 1.176 445 N HN 0.270 nan 8.380 nan 0.000 0.507 446 F N 0.519 120.505 119.950 0.060 0.000 2.681 446 F HA 0.548 5.075 4.527 -0.000 0.000 0.171 446 F C 0.580 176.414 175.800 0.057 0.000 1.088 446 F CA -1.102 56.942 58.000 0.073 0.000 0.948 446 F CB 0.154 39.247 39.000 0.154 0.000 2.226 446 F HN 0.285 nan 8.300 nan 0.000 0.648 447 C N 0.144 119.646 119.300 0.338 0.000 2.832 447 C HA 0.571 5.031 4.460 -0.000 0.000 0.383 447 C C -0.835 174.259 174.990 0.172 0.000 1.046 447 C CA -1.684 57.439 59.018 0.175 0.000 1.242 447 C CB -0.347 27.447 27.740 0.089 0.000 1.693 447 C HN 0.384 nan 8.230 nan 0.000 0.497 448 V N 3.767 123.758 119.914 0.128 0.000 2.539 448 V HA 0.389 4.509 4.120 -0.000 0.000 0.294 448 V C 1.531 177.688 176.094 0.106 0.000 0.994 448 V CA 2.705 65.077 62.300 0.119 0.000 1.169 448 V CB -0.234 31.641 31.823 0.085 0.000 0.898 448 V HN 1.844 nan 8.190 nan 0.000 0.471 449 G N 3.527 112.424 108.800 0.161 0.000 2.255 449 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.196 449 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.196 449 G C 0.104 174.947 174.900 -0.094 0.000 0.998 449 G CA 0.098 45.215 45.100 0.029 0.000 0.656 449 G HN 0.675 nan 8.290 nan 0.000 0.490 450 K N 0.000 120.476 120.400 0.126 0.000 2.780 450 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 450 K CA 0.000 56.394 56.287 0.178 0.000 0.838 450 K CB 0.000 32.655 32.500 0.258 0.000 1.064 450 K HN 0.000 nan 8.250 nan 0.000 0.543