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 3c3a_1_B DATA FIRST_RESID 2 DATA SEQUENCE LSNKLTLDKL DVKGKRVVMR VDFNVPMKNN QITNNQRIKA AVPSIKFCLD DATA SEQUENCE NGAKSVVLMS HLGRPDGVPM PDKYSLEPVA VELKSLLGKD VLFLKDcVXX DATA SEQUENCE XXXKAcANPA AGSVILLENL RFHVEEEGKG KDASGNKVKA EPAKIEAFRA DATA SEQUENCE SLSKLGDVYV NDAFGTAHRA HSSMVGVNLP QKAGGFLMKK ELNYFAKALE DATA SEQUENCE SPERPFLAIL GGAKVADKIQ LINNMLDKVN EMIIGGGMAF TFLKVLNNME DATA SEQUENCE IGTSLFDEEG AKIVKDLMSK AEKNGVKITL PVDFVTADKF DENAKTGQAT DATA SEQUENCE VASGIPAGWM GLDCGPESSK KYAEAVTRAK QIVWNGPVGV FEWEAFARGT DATA SEQUENCE KALMDEVVKA TSRGCITIIG GXXXXXXXXX XXXEDKVSHV STGGGASLEL DATA SEQUENCE LEGKVLPGVD ALSNI 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 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.874 176.870 0.006 0.000 1.165 2 L CA 0.000 54.852 54.840 0.020 0.000 0.813 2 L CB 0.000 42.068 42.059 0.014 0.000 0.961 3 S N -0.349 115.351 115.700 -0.000 0.000 2.575 3 S HA 0.078 4.548 4.470 -0.000 0.000 0.215 3 S C 0.747 175.345 174.600 -0.002 0.000 0.966 3 S CA 0.534 58.730 58.200 -0.006 0.000 0.911 3 S CB -0.794 62.398 63.200 -0.013 0.000 0.780 3 S HN 0.632 nan 8.310 nan 0.000 0.514 4 N N 0.505 119.206 118.700 0.002 0.000 2.238 4 N HA 0.219 4.959 4.740 -0.000 0.000 0.222 4 N C -0.370 175.144 175.510 0.006 0.000 1.133 4 N CA -0.618 52.434 53.050 0.004 0.000 0.854 4 N CB 0.344 38.834 38.487 0.005 0.000 1.041 4 N HN -0.020 nan 8.380 nan 0.000 0.510 5 K N 0.834 121.237 120.400 0.005 0.000 2.318 5 K HA 0.280 4.600 4.320 -0.000 0.000 0.249 5 K C -0.600 175.999 176.600 -0.002 0.000 0.942 5 K CA -0.797 55.494 56.287 0.006 0.000 0.808 5 K CB 2.558 35.064 32.500 0.011 0.000 1.189 5 K HN 0.095 nan 8.250 nan 0.000 0.428 6 L N 2.720 123.941 121.223 -0.003 0.000 2.540 6 L HA 0.026 4.366 4.340 -0.000 0.000 0.276 6 L C 0.309 177.156 176.870 -0.038 0.000 1.212 6 L CA 0.777 55.609 54.840 -0.014 0.000 0.893 6 L CB 0.349 42.404 42.059 -0.007 0.000 1.138 6 L HN 0.764 nan 8.230 nan 0.000 0.491 7 T N 1.237 115.757 114.554 -0.056 0.000 2.942 7 T HA 0.234 4.584 4.350 -0.000 0.000 0.289 7 T C 0.770 175.352 174.700 -0.197 0.000 1.044 7 T CA -0.943 61.090 62.100 -0.113 0.000 1.023 7 T CB 1.800 70.625 68.868 -0.072 0.000 1.123 7 T HN 0.477 nan 8.240 nan 0.000 0.512 8 L N 1.389 122.371 121.223 -0.401 0.000 2.081 8 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 8 L C 2.200 178.718 176.870 -0.585 0.000 1.080 8 L CA 2.322 56.794 54.840 -0.613 0.000 0.754 8 L CB -1.037 40.353 42.059 -1.115 0.000 0.893 8 L HN 0.896 nan 8.230 nan 0.000 0.433 9 D N -1.012 119.124 120.400 -0.441 0.000 2.309 9 D HA -0.248 4.392 4.640 -0.000 0.000 0.212 9 D C 1.354 177.713 176.300 0.098 0.000 0.968 9 D CA 1.182 55.139 54.000 -0.072 0.000 0.882 9 D CB -0.170 40.721 40.800 0.152 0.000 0.918 9 D HN 0.440 nan 8.370 nan 0.000 0.503 10 K N -0.494 119.920 120.400 0.024 0.000 2.387 10 K HA 0.218 4.537 4.320 -0.000 0.000 0.203 10 K C 0.000 176.628 176.600 0.047 0.000 1.030 10 K CA -0.518 55.801 56.287 0.052 0.000 1.099 10 K CB 0.946 33.461 32.500 0.026 0.000 0.863 10 K HN 0.009 nan 8.250 nan 0.000 0.529 11 L N 1.626 122.873 121.223 0.041 0.000 2.292 11 L HA 0.266 4.606 4.340 -0.000 0.000 0.284 11 L C -0.685 176.240 176.870 0.092 0.000 1.065 11 L CA -0.324 54.540 54.840 0.040 0.000 0.806 11 L CB 1.008 43.061 42.059 -0.010 0.000 1.175 11 L HN -0.066 nan 8.230 nan 0.000 0.431 12 D N 2.986 123.424 120.400 0.064 0.000 2.338 12 D HA 0.192 4.832 4.640 -0.000 0.000 0.255 12 D C 0.791 177.125 176.300 0.057 0.000 1.237 12 D CA 0.333 54.369 54.000 0.060 0.000 0.883 12 D CB 0.919 41.742 40.800 0.039 0.000 1.087 12 D HN 0.418 nan 8.370 nan 0.000 0.485 13 V N 1.521 121.476 119.914 0.068 0.000 3.605 13 V HA 0.267 4.387 4.120 -0.000 0.000 0.284 13 V C 0.901 177.010 176.094 0.024 0.000 1.386 13 V CA -0.423 61.909 62.300 0.052 0.000 1.053 13 V CB -0.569 31.303 31.823 0.082 0.000 0.857 13 V HN 0.323 nan 8.190 nan 0.000 0.436 14 K N 2.014 122.422 120.400 0.014 0.000 2.366 14 K HA 0.370 4.690 4.320 -0.000 0.000 0.279 14 K C 1.219 177.822 176.600 0.004 0.000 1.098 14 K CA 1.092 57.379 56.287 -0.001 0.000 1.087 14 K CB -0.315 32.182 32.500 -0.006 0.000 0.901 14 K HN 0.863 nan 8.250 nan 0.000 0.463 15 G N 3.209 112.010 108.800 0.002 0.000 2.141 15 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.231 15 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.231 15 G C -0.415 174.489 174.900 0.007 0.000 0.984 15 G CA -0.213 44.889 45.100 0.003 0.000 0.660 15 G HN 0.496 nan 8.290 nan 0.000 0.525 16 K N 0.352 120.759 120.400 0.011 0.000 2.203 16 K HA 0.510 4.829 4.320 -0.000 0.000 0.251 16 K C 0.466 177.075 176.600 0.014 0.000 0.944 16 K CA -0.892 55.403 56.287 0.014 0.000 0.829 16 K CB 1.464 33.976 32.500 0.019 0.000 1.125 16 K HN 0.298 nan 8.250 nan 0.000 0.430 17 R N 0.941 121.448 120.500 0.012 0.000 2.347 17 R HA 0.217 4.557 4.340 -0.000 0.000 0.304 17 R C -0.117 176.194 176.300 0.018 0.000 1.072 17 R CA -0.379 55.729 56.100 0.013 0.000 0.980 17 R CB 0.442 30.747 30.300 0.008 0.000 0.986 17 R HN 0.198 nan 8.270 nan 0.000 0.448 18 V N 4.661 124.586 119.914 0.019 0.000 2.427 18 V HA 0.237 4.356 4.120 -0.000 0.000 0.286 18 V C 0.134 176.237 176.094 0.016 0.000 1.034 18 V CA -0.755 61.555 62.300 0.017 0.000 0.893 18 V CB 1.711 33.539 31.823 0.009 0.000 0.982 18 V HN 0.457 nan 8.190 nan 0.000 0.452 19 V N 4.629 124.564 119.914 0.034 0.000 2.427 19 V HA 0.581 4.701 4.120 -0.000 0.000 0.286 19 V C -0.167 175.916 176.094 -0.018 0.000 1.034 19 V CA -0.540 61.785 62.300 0.042 0.000 0.893 19 V CB 1.430 33.325 31.823 0.120 0.000 0.982 19 V HN 0.906 nan 8.190 nan 0.000 0.452 20 M N 4.507 124.062 119.600 -0.073 0.000 2.197 20 M HA 0.528 5.008 4.480 -0.000 0.000 0.301 20 M C -0.585 175.611 176.300 -0.173 0.000 0.987 20 M CA -0.677 54.509 55.300 -0.191 0.000 0.921 20 M CB 1.587 34.097 32.600 -0.150 0.000 1.569 20 M HN 0.615 nan 8.290 nan 0.000 0.431 21 R N 3.837 124.194 120.500 -0.238 0.000 2.267 21 R HA 0.452 4.791 4.340 -0.000 0.000 0.319 21 R C -1.006 175.175 176.300 -0.199 0.000 1.067 21 R CA 0.004 56.024 56.100 -0.133 0.000 0.936 21 R CB 0.307 30.604 30.300 -0.005 0.000 1.006 21 R HN 0.651 nan 8.270 nan 0.000 0.452 22 V N -0.114 119.626 119.914 -0.290 0.000 3.103 22 V HA 0.498 4.618 4.120 -0.000 0.000 0.318 22 V C -0.198 175.696 176.094 -0.333 0.000 1.114 22 V CA -1.053 60.993 62.300 -0.424 0.000 1.020 22 V CB 2.291 33.499 31.823 -1.025 0.000 1.085 22 V HN 0.533 nan 8.190 nan 0.000 0.446 23 D N 0.976 121.248 120.400 -0.212 0.000 2.460 23 D HA 0.394 5.034 4.640 -0.000 0.000 0.232 23 D C -0.609 175.746 176.300 0.093 0.000 1.079 23 D CA -0.310 53.657 54.000 -0.056 0.000 0.864 23 D CB 0.679 41.527 40.800 0.079 0.000 1.048 23 D HN 0.618 nan 8.370 nan 0.000 0.523 24 F N 2.343 122.255 119.950 -0.063 0.000 2.923 24 F HA 0.148 4.675 4.527 -0.001 0.000 0.314 24 F C 1.087 176.819 175.800 -0.113 0.000 1.196 24 F CA -0.849 57.119 58.000 -0.053 0.000 1.320 24 F CB 0.333 39.319 39.000 -0.024 0.000 0.953 24 F HN 0.140 nan 8.300 nan 0.000 0.505 25 N N 2.524 121.206 118.700 -0.030 0.000 2.895 25 N HA 0.109 4.849 4.740 -0.000 0.000 0.277 25 N C -0.508 175.018 175.510 0.026 0.000 1.185 25 N CA -0.029 52.950 53.050 -0.117 0.000 1.106 25 N CB 0.144 38.434 38.487 -0.328 0.000 1.422 25 N HN 0.143 nan 8.380 nan 0.000 0.521 26 V N 0.918 120.863 119.914 0.051 0.000 2.713 26 V HA 0.759 4.879 4.120 -0.000 0.000 0.307 26 V C -2.181 173.945 176.094 0.053 0.000 1.052 26 V CA -2.287 60.043 62.300 0.050 0.000 0.967 26 V CB 1.098 32.934 31.823 0.022 0.000 1.019 26 V HN 0.300 nan 8.190 nan 0.000 0.459 27 P HA 0.411 nan 4.420 nan 0.000 0.271 27 P C -0.820 176.501 177.300 0.035 0.000 1.216 27 P CA 0.052 63.181 63.100 0.049 0.000 0.771 27 P CB 0.490 32.212 31.700 0.038 0.000 0.864 28 M N 1.856 121.482 119.600 0.043 0.000 2.457 28 M HA 0.350 4.830 4.480 -0.000 0.000 0.300 28 M C -0.077 176.235 176.300 0.020 0.000 1.141 28 M CA -0.698 54.617 55.300 0.025 0.000 0.901 28 M CB 3.045 35.660 32.600 0.026 0.000 1.687 28 M HN 0.066 nan 8.290 nan 0.000 0.449 29 K N 2.678 123.082 120.400 0.007 0.000 2.300 29 K HA 0.276 4.596 4.320 -0.000 0.000 0.264 29 K C -0.759 175.838 176.600 -0.006 0.000 1.083 29 K CA -0.235 56.055 56.287 0.004 0.000 0.958 29 K CB 0.240 32.742 32.500 0.003 0.000 1.318 29 K HN 0.629 nan 8.250 nan 0.000 0.448 30 N N 4.837 123.530 118.700 -0.011 0.000 2.724 30 N HA -0.300 4.440 4.740 -0.000 0.000 0.293 30 N C -0.672 174.823 175.510 -0.026 0.000 1.090 30 N CA 1.071 54.105 53.050 -0.026 0.000 0.793 30 N CB -0.872 37.600 38.487 -0.024 0.000 0.958 30 N HN 0.924 nan 8.380 nan 0.000 0.575 31 N N -1.621 117.063 118.700 -0.026 0.000 2.936 31 N HA -0.221 4.519 4.740 -0.000 0.000 0.236 31 N C -0.538 174.957 175.510 -0.026 0.000 0.930 31 N CA 1.212 54.247 53.050 -0.025 0.000 0.966 31 N CB -0.416 38.054 38.487 -0.027 0.000 1.090 31 N HN 0.703 nan 8.380 nan 0.000 0.592 32 Q N 0.168 119.956 119.800 -0.021 0.000 2.266 32 Q HA 0.585 4.924 4.340 -0.000 0.000 0.261 32 Q C -0.124 175.864 176.000 -0.019 0.000 0.985 32 Q CA -0.536 55.254 55.803 -0.023 0.000 0.873 32 Q CB 1.564 30.291 28.738 -0.019 0.000 1.306 32 Q HN 0.192 nan 8.270 nan 0.000 0.447 33 I N 1.603 122.157 120.570 -0.026 0.000 2.304 33 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 33 I C 1.144 177.251 176.117 -0.017 0.000 1.018 33 I CA -0.047 61.239 61.300 -0.023 0.000 1.260 33 I CB 1.325 39.300 38.000 -0.042 0.000 1.390 33 I HN 0.752 nan 8.210 nan 0.000 0.475 34 T N 0.800 115.349 114.554 -0.007 0.000 3.107 34 T HA 0.138 4.488 4.350 -0.000 0.000 0.249 34 T C 0.493 175.190 174.700 -0.005 0.000 1.096 34 T CA -0.090 62.006 62.100 -0.006 0.000 1.012 34 T CB -0.274 68.593 68.868 -0.002 0.000 0.977 34 T HN 0.515 nan 8.240 nan 0.000 0.527 35 N N 1.677 120.374 118.700 -0.005 0.000 3.127 35 N HA 0.109 4.849 4.740 -0.000 0.000 0.239 35 N C -0.908 174.597 175.510 -0.008 0.000 1.200 35 N CA -0.403 52.646 53.050 -0.002 0.000 0.924 35 N CB 0.790 39.283 38.487 0.011 0.000 1.583 35 N HN 0.193 nan 8.380 nan 0.000 0.645 36 N N 2.587 121.275 118.700 -0.020 0.000 2.276 36 N HA 0.005 4.744 4.740 -0.000 0.000 0.212 36 N C 1.049 176.544 175.510 -0.025 0.000 1.127 36 N CA -0.036 52.989 53.050 -0.041 0.000 0.834 36 N CB 0.224 38.675 38.487 -0.060 0.000 1.014 36 N HN 0.713 nan 8.380 nan 0.000 0.491 37 Q N 1.261 121.061 119.800 -0.000 0.000 2.077 37 Q HA -0.151 4.189 4.340 -0.000 0.000 0.206 37 Q C 1.538 177.565 176.000 0.045 0.000 0.989 37 Q CA 1.461 57.273 55.803 0.014 0.000 0.853 37 Q CB -0.015 28.731 28.738 0.013 0.000 0.907 37 Q HN 0.404 nan 8.270 nan 0.000 0.418 38 R N -0.194 120.348 120.500 0.070 0.000 2.120 38 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 38 R C 2.332 178.747 176.300 0.190 0.000 1.123 38 R CA 1.525 57.714 56.100 0.148 0.000 0.975 38 R CB -0.260 30.145 30.300 0.175 0.000 0.866 38 R HN 0.401 nan 8.270 nan 0.000 0.446 39 I N 0.723 121.299 120.570 0.009 0.000 2.193 39 I HA -0.240 3.930 4.170 -0.000 0.000 0.240 39 I C 2.272 178.374 176.117 -0.024 0.000 1.084 39 I CA 1.160 62.339 61.300 -0.201 0.000 1.365 39 I CB -0.326 37.393 38.000 -0.470 0.000 1.064 39 I HN 0.018 nan 8.210 nan 0.000 0.410 40 K N 1.188 121.581 120.400 -0.013 0.000 2.052 40 K HA -0.292 4.028 4.320 -0.000 0.000 0.215 40 K C 2.247 178.894 176.600 0.078 0.000 1.053 40 K CA 2.079 58.381 56.287 0.025 0.000 0.934 40 K CB -0.542 31.967 32.500 0.015 0.000 0.717 40 K HN 0.391 nan 8.250 nan 0.000 0.450 41 A N 1.124 124.006 122.820 0.103 0.000 1.978 41 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 41 A C 2.265 179.951 177.584 0.171 0.000 1.170 41 A CA 1.997 54.112 52.037 0.131 0.000 0.636 41 A CB -0.504 18.579 19.000 0.137 0.000 0.810 41 A HN 0.417 nan 8.150 nan 0.000 0.448 42 A N -0.861 122.097 122.820 0.231 0.000 2.119 42 A HA 0.213 4.533 4.320 -0.000 0.000 0.216 42 A C 2.050 179.755 177.584 0.201 0.000 1.152 42 A CA 1.129 53.311 52.037 0.241 0.000 0.708 42 A CB -0.527 18.713 19.000 0.399 0.000 0.805 42 A HN 0.315 nan 8.150 nan 0.000 0.460 43 V N 0.690 120.708 119.914 0.173 0.000 2.343 43 V HA -0.161 3.958 4.120 -0.000 0.000 0.247 43 V C -0.177 176.015 176.094 0.163 0.000 1.051 43 V CA 2.494 64.881 62.300 0.145 0.000 1.036 43 V CB -1.334 30.548 31.823 0.097 0.000 0.654 43 V HN 0.385 nan 8.190 nan 0.000 0.451 44 P HA -0.078 nan 4.420 nan 0.000 0.217 44 P C 1.975 179.498 177.300 0.372 0.000 1.150 44 P CA 1.492 64.733 63.100 0.234 0.000 0.832 44 P CB -0.050 31.763 31.700 0.189 0.000 0.787 45 S N -0.819 115.064 115.700 0.304 0.000 2.383 45 S HA -0.094 4.376 4.470 -0.000 0.000 0.227 45 S C 1.815 176.514 174.600 0.165 0.000 1.026 45 S CA 1.037 59.331 58.200 0.157 0.000 0.981 45 S CB -0.983 62.193 63.200 -0.039 0.000 0.818 45 S HN 0.132 nan 8.310 nan 0.000 0.472 46 I N 1.029 121.695 120.570 0.160 0.000 2.286 46 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 46 I C 2.355 178.564 176.117 0.153 0.000 1.104 46 I CA 1.133 62.514 61.300 0.135 0.000 1.397 46 I CB -0.233 37.846 38.000 0.131 0.000 1.072 46 I HN 0.147 nan 8.210 nan 0.000 0.417 47 K N 0.421 120.926 120.400 0.174 0.000 2.057 47 K HA -0.167 4.152 4.320 -0.000 0.000 0.206 47 K C 2.067 178.777 176.600 0.184 0.000 1.050 47 K CA 1.389 57.767 56.287 0.151 0.000 0.935 47 K CB -0.281 32.298 32.500 0.132 0.000 0.715 47 K HN 0.122 nan 8.250 nan 0.000 0.439 48 F N 1.208 121.238 119.950 0.132 0.000 2.120 48 F HA -0.342 4.186 4.527 0.001 0.000 0.300 48 F C 1.958 177.805 175.800 0.079 0.000 1.095 48 F CA 1.357 59.450 58.000 0.155 0.000 1.249 48 F CB -0.366 38.829 39.000 0.324 0.000 0.995 48 F HN 0.024 nan 8.300 nan 0.000 0.480 49 C N 0.325 119.802 119.300 0.296 0.000 2.446 49 C HA -0.104 4.356 4.460 -0.000 0.000 0.277 49 C C 2.793 177.804 174.990 0.035 0.000 1.275 49 C CA 1.004 60.126 59.018 0.172 0.000 1.727 49 C CB -1.310 26.512 27.740 0.137 0.000 2.010 49 C HN 0.506 nan 8.230 nan 0.000 0.486 50 L N 0.424 121.670 121.223 0.037 0.000 2.072 50 L HA -0.082 4.258 4.340 -0.000 0.000 0.205 50 L C 2.235 179.084 176.870 -0.035 0.000 1.079 50 L CA 1.295 56.140 54.840 0.009 0.000 0.752 50 L CB -0.788 41.289 42.059 0.030 0.000 0.906 50 L HN 0.231 nan 8.230 nan 0.000 0.436 51 D N 0.356 120.720 120.400 -0.061 0.000 2.158 51 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 51 D C 1.446 177.635 176.300 -0.185 0.000 0.995 51 D CA 1.207 55.137 54.000 -0.117 0.000 0.846 51 D CB -0.200 40.515 40.800 -0.141 0.000 0.941 51 D HN 0.315 nan 8.370 nan 0.000 0.456 52 N N -0.706 117.832 118.700 -0.270 0.000 2.276 52 N HA 0.171 4.911 4.740 -0.000 0.000 0.212 52 N C 0.815 176.251 175.510 -0.124 0.000 1.127 52 N CA 0.535 53.425 53.050 -0.267 0.000 0.834 52 N CB 1.501 39.691 38.487 -0.495 0.000 1.014 52 N HN 0.193 nan 8.380 nan 0.000 0.491 53 G N 0.575 109.328 108.800 -0.078 0.000 2.163 53 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.213 53 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.213 53 G C 0.286 175.176 174.900 -0.017 0.000 0.991 53 G CA -0.078 44.998 45.100 -0.039 0.000 0.653 53 G HN 0.507 nan 8.290 nan 0.000 0.518 54 A N 0.173 122.987 122.820 -0.009 0.000 2.565 54 A HA 0.509 4.829 4.320 -0.000 0.000 0.237 54 A C 1.382 178.971 177.584 0.007 0.000 1.053 54 A CA 1.651 53.694 52.037 0.009 0.000 0.755 54 A CB 0.262 19.277 19.000 0.025 0.000 0.980 54 A HN 0.857 nan 8.150 nan 0.000 0.506 55 K N 0.847 121.253 120.400 0.009 0.000 2.288 55 K HA 0.004 4.323 4.320 -0.000 0.000 0.201 55 K C 0.113 176.720 176.600 0.013 0.000 1.048 55 K CA 1.318 57.610 56.287 0.009 0.000 0.956 55 K CB -0.079 32.425 32.500 0.007 0.000 0.746 55 K HN 1.035 nan 8.250 nan 0.000 0.461 56 S N -1.899 113.811 115.700 0.017 0.000 2.683 56 S HA 0.307 4.777 4.470 -0.000 0.000 0.278 56 S C -1.259 173.356 174.600 0.025 0.000 1.059 56 S CA -1.245 56.968 58.200 0.022 0.000 0.847 56 S CB 1.473 64.685 63.200 0.019 0.000 1.078 56 S HN -0.153 nan 8.310 nan 0.000 0.456 57 V N 1.508 121.442 119.914 0.032 0.000 2.444 57 V HA 0.626 4.746 4.120 -0.000 0.000 0.294 57 V C -0.556 175.558 176.094 0.034 0.000 1.022 57 V CA -0.667 61.652 62.300 0.032 0.000 0.850 57 V CB 1.521 33.369 31.823 0.042 0.000 0.992 57 V HN 0.836 nan 8.190 nan 0.000 0.426 58 V N 6.600 126.526 119.914 0.021 0.000 2.370 58 V HA 0.481 4.601 4.120 -0.000 0.000 0.283 58 V C -0.123 175.977 176.094 0.010 0.000 1.023 58 V CA -0.407 61.904 62.300 0.019 0.000 0.857 58 V CB 1.487 33.312 31.823 0.003 0.000 0.985 58 V HN 0.647 nan 8.190 nan 0.000 0.443 59 L N 6.486 127.724 121.223 0.026 0.000 2.309 59 L HA 0.746 5.086 4.340 -0.000 0.000 0.282 59 L C -0.123 176.740 176.870 -0.011 0.000 1.036 59 L CA -0.409 54.428 54.840 -0.006 0.000 0.806 59 L CB 1.540 43.634 42.059 0.058 0.000 1.220 59 L HN 0.696 nan 8.230 nan 0.000 0.429 60 M N 1.593 121.155 119.600 -0.063 0.000 2.326 60 M HA 0.755 5.235 4.480 -0.000 0.000 0.292 60 M C -1.076 175.187 176.300 -0.061 0.000 1.081 60 M CA -0.305 54.977 55.300 -0.030 0.000 0.919 60 M CB 2.247 34.842 32.600 -0.008 0.000 1.634 60 M HN 0.472 nan 8.290 nan 0.000 0.451 61 S N 0.902 116.592 115.700 -0.017 0.000 2.638 61 S HA 0.642 5.112 4.470 -0.000 0.000 0.274 61 S C -1.458 173.180 174.600 0.065 0.000 1.157 61 S CA -0.712 57.479 58.200 -0.016 0.000 0.826 61 S CB 1.578 64.696 63.200 -0.137 0.000 1.139 61 S HN 0.998 nan 8.310 nan 0.000 0.474 62 H N 1.318 120.401 119.070 0.021 0.000 2.544 62 H HA 0.818 5.374 4.556 -0.000 0.000 0.342 62 H C -1.312 174.035 175.328 0.032 0.000 1.185 62 H CA -0.844 55.209 56.048 0.007 0.000 1.264 62 H CB 1.262 31.033 29.762 0.015 0.000 1.607 62 H HN 0.452 nan 8.280 nan 0.000 0.550 63 L N 1.308 122.516 121.223 -0.025 0.000 2.439 63 L HA 0.485 4.825 4.340 -0.000 0.000 0.270 63 L C 0.388 177.276 176.870 0.030 0.000 0.972 63 L CA 1.098 55.933 54.840 -0.008 0.000 0.836 63 L CB 1.409 43.522 42.059 0.091 0.000 1.255 63 L HN 1.258 nan 8.230 nan 0.000 0.404 64 G N 4.147 112.966 108.800 0.032 0.000 2.698 64 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.233 64 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.233 64 G C -0.261 174.474 174.900 -0.274 0.000 1.352 64 G CA -0.128 44.844 45.100 -0.214 0.000 0.879 64 G HN 0.735 nan 8.290 nan 0.000 0.567 65 R N 0.985 121.189 120.500 -0.492 0.000 2.868 65 R HA 0.286 4.626 4.340 -0.000 0.000 0.289 65 R C -1.807 174.299 176.300 -0.324 0.000 1.443 65 R CA -1.039 54.898 56.100 -0.271 0.000 1.651 65 R CB 1.526 31.760 30.300 -0.110 0.000 1.242 65 R HN 0.390 nan 8.270 nan 0.000 0.621 66 P HA 0.002 nan 4.420 nan 0.000 0.249 66 P C -0.734 176.559 177.300 -0.012 0.000 1.241 66 P CA 0.094 63.133 63.100 -0.100 0.000 0.781 66 P CB 0.232 31.999 31.700 0.112 0.000 1.088 67 D N 0.529 120.897 120.400 -0.054 0.000 2.706 67 D HA -0.187 4.453 4.640 -0.000 0.000 0.230 67 D C 1.347 177.619 176.300 -0.045 0.000 1.184 67 D CA 1.722 55.689 54.000 -0.055 0.000 0.628 67 D CB -1.869 38.905 40.800 -0.042 0.000 1.019 67 D HN 0.431 nan 8.370 nan 0.000 0.415 68 G N -2.166 106.616 108.800 -0.030 0.000 2.162 68 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.260 68 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.260 68 G C 0.381 175.258 174.900 -0.039 0.000 0.976 68 G CA 0.298 45.375 45.100 -0.040 0.000 0.655 68 G HN 0.582 nan 8.290 nan 0.000 0.533 69 V N 1.840 121.736 119.914 -0.029 0.000 2.472 69 V HA 0.514 4.633 4.120 -0.000 0.000 0.290 69 V C -1.874 174.092 176.094 -0.213 0.000 1.037 69 V CA -1.737 60.508 62.300 -0.091 0.000 0.908 69 V CB 1.897 33.679 31.823 -0.069 0.000 0.985 69 V HN 0.070 nan 8.190 nan 0.000 0.454 70 P HA 0.224 nan 4.420 nan 0.000 0.264 70 P C -0.434 176.379 177.300 -0.813 0.000 1.236 70 P CA 0.430 63.039 63.100 -0.819 0.000 0.811 70 P CB 0.004 31.434 31.700 -0.451 0.000 0.840 71 M N 6.229 125.109 119.600 -1.200 0.000 2.854 71 M HA 0.221 4.701 4.480 -0.000 0.000 0.203 71 M C -1.647 174.531 176.300 -0.204 0.000 1.069 71 M CA -1.577 53.474 55.300 -0.415 0.000 0.803 71 M CB 1.794 34.420 32.600 0.043 0.000 1.380 71 M HN 0.145 nan 8.290 nan 0.000 0.494 72 P HA -0.085 nan 4.420 nan 0.000 0.230 72 P C 0.105 177.474 177.300 0.116 0.000 1.158 72 P CA 1.144 64.326 63.100 0.137 0.000 0.769 72 P CB 0.249 32.008 31.700 0.099 0.000 0.807 73 D N -0.692 119.722 120.400 0.024 0.000 2.346 73 D HA 0.005 4.644 4.640 -0.000 0.000 0.206 73 D C 1.782 178.057 176.300 -0.042 0.000 1.001 73 D CA 0.730 54.728 54.000 -0.003 0.000 0.871 73 D CB 0.314 41.097 40.800 -0.029 0.000 0.943 73 D HN 0.267 nan 8.370 nan 0.000 0.518 74 K N -0.788 119.565 120.400 -0.078 0.000 2.443 74 K HA 0.077 4.397 4.320 -0.000 0.000 0.200 74 K C 0.028 176.427 176.600 -0.334 0.000 1.278 74 K CA 0.052 56.170 56.287 -0.283 0.000 0.925 74 K CB 0.865 33.071 32.500 -0.489 0.000 1.225 74 K HN 0.009 nan 8.250 nan 0.000 0.514 75 Y N 0.837 121.260 120.300 0.205 0.000 2.669 75 Y HA 0.297 4.847 4.550 -0.001 0.000 0.302 75 Y C -0.105 175.988 175.900 0.322 0.000 1.000 75 Y CA -0.646 57.609 58.100 0.257 0.000 1.222 75 Y CB 1.377 40.027 38.460 0.317 0.000 1.209 75 Y HN -0.131 nan 8.280 nan 0.000 0.571 76 S N 0.524 116.437 115.700 0.355 0.000 2.565 76 S HA 0.294 4.764 4.470 -0.000 0.000 0.274 76 S C 0.760 175.448 174.600 0.147 0.000 1.309 76 S CA -0.415 57.969 58.200 0.307 0.000 1.043 76 S CB 0.715 64.085 63.200 0.283 0.000 0.939 76 S HN 0.621 nan 8.310 nan 0.000 0.504 77 L N 3.899 125.220 121.223 0.162 0.000 2.611 77 L HA 0.208 4.548 4.340 -0.000 0.000 0.229 77 L C 2.195 178.833 176.870 -0.388 0.000 1.137 77 L CA 0.177 55.040 54.840 0.039 0.000 0.901 77 L CB -0.188 42.019 42.059 0.247 0.000 1.098 77 L HN 0.797 nan 8.230 nan 0.000 0.456 78 E N 0.996 120.776 120.200 -0.701 0.000 2.070 78 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 78 E C -0.685 175.619 176.600 -0.492 0.000 1.004 78 E CA 1.434 57.215 56.400 -1.031 0.000 0.805 78 E CB -0.397 28.942 29.700 -0.601 0.000 0.744 78 E HN 0.351 nan 8.360 nan 0.000 0.451 79 P HA -0.122 nan 4.420 nan 0.000 0.220 79 P C 1.272 178.468 177.300 -0.173 0.000 1.148 79 P CA 0.826 63.824 63.100 -0.169 0.000 0.803 79 P CB 0.102 31.741 31.700 -0.102 0.000 0.782 80 V N 0.252 120.052 119.914 -0.190 0.000 2.379 80 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 80 V C 2.511 178.476 176.094 -0.214 0.000 1.044 80 V CA 2.090 64.270 62.300 -0.200 0.000 1.036 80 V CB -1.715 30.024 31.823 -0.140 0.000 0.664 80 V HN 0.099 nan 8.190 nan 0.000 0.453 81 A N 0.013 122.709 122.820 -0.207 0.000 1.908 81 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 81 A C 2.408 179.927 177.584 -0.109 0.000 1.181 81 A CA 2.186 54.150 52.037 -0.121 0.000 0.627 81 A CB -0.741 18.190 19.000 -0.114 0.000 0.818 81 A HN 0.332 nan 8.150 nan 0.000 0.445 82 V N -0.060 119.769 119.914 -0.142 0.000 2.255 82 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 82 V C 2.626 178.667 176.094 -0.088 0.000 1.051 82 V CA 2.542 64.785 62.300 -0.096 0.000 1.018 82 V CB -0.761 31.005 31.823 -0.096 0.000 0.641 82 V HN 0.719 nan 8.190 nan 0.000 0.445 83 E N 0.271 120.402 120.200 -0.117 0.000 2.031 83 E HA -0.235 4.114 4.350 -0.000 0.000 0.193 83 E C 1.969 178.495 176.600 -0.123 0.000 0.994 83 E CA 1.558 57.887 56.400 -0.118 0.000 0.800 83 E CB -0.548 29.064 29.700 -0.147 0.000 0.752 83 E HN 0.405 nan 8.360 nan 0.000 0.447 84 L N 1.172 122.297 121.223 -0.164 0.000 2.079 84 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 84 L C 2.240 179.076 176.870 -0.057 0.000 1.081 84 L CA 2.172 56.927 54.840 -0.142 0.000 0.752 84 L CB -0.595 41.363 42.059 -0.168 0.000 0.896 84 L HN 0.123 nan 8.230 nan 0.000 0.433 85 K N -0.996 119.380 120.400 -0.040 0.000 2.074 85 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 85 K C 1.992 178.584 176.600 -0.014 0.000 1.048 85 K CA 1.928 58.208 56.287 -0.013 0.000 0.926 85 K CB -0.155 32.340 32.500 -0.009 0.000 0.713 85 K HN 0.451 nan 8.250 nan 0.000 0.444 86 S N 0.748 116.432 115.700 -0.027 0.000 2.387 86 S HA -0.019 4.450 4.470 -0.000 0.000 0.226 86 S C 1.795 176.385 174.600 -0.017 0.000 1.026 86 S CA 0.838 59.026 58.200 -0.021 0.000 0.972 86 S CB -0.057 63.127 63.200 -0.027 0.000 0.814 86 S HN 0.256 nan 8.310 nan 0.000 0.477 87 L N 0.575 121.783 121.223 -0.026 0.000 2.209 87 L HA 0.147 4.487 4.340 -0.000 0.000 0.207 87 L C 2.186 179.056 176.870 0.001 0.000 1.094 87 L CA 0.701 55.529 54.840 -0.019 0.000 0.790 87 L CB -0.182 41.853 42.059 -0.040 0.000 0.932 87 L HN 0.288 nan 8.230 nan 0.000 0.447 88 L N -0.483 120.743 121.223 0.006 0.000 2.202 88 L HA 0.084 4.424 4.340 -0.000 0.000 0.205 88 L C 1.257 178.142 176.870 0.026 0.000 1.083 88 L CA 1.023 55.880 54.840 0.027 0.000 0.790 88 L CB -0.132 41.949 42.059 0.037 0.000 0.942 88 L HN 0.495 nan 8.230 nan 0.000 0.452 89 G N 1.206 110.015 108.800 0.016 0.000 2.149 89 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.235 89 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.235 89 G C 0.070 174.981 174.900 0.019 0.000 1.018 89 G CA 0.451 45.560 45.100 0.015 0.000 0.728 89 G HN 0.371 nan 8.290 nan 0.000 0.508 90 K N -0.286 120.128 120.400 0.023 0.000 2.527 90 K HA 0.378 4.698 4.320 -0.000 0.000 0.260 90 K C -1.227 175.390 176.600 0.029 0.000 0.937 90 K CA -0.931 55.372 56.287 0.027 0.000 0.826 90 K CB 1.655 34.175 32.500 0.034 0.000 1.359 90 K HN 0.021 nan 8.250 nan 0.000 0.434 91 D N 1.400 121.817 120.400 0.030 0.000 2.488 91 D HA 0.092 4.732 4.640 -0.000 0.000 0.238 91 D C -1.001 175.327 176.300 0.048 0.000 1.138 91 D CA 0.282 54.303 54.000 0.035 0.000 0.873 91 D CB 0.790 41.610 40.800 0.034 0.000 1.183 91 D HN 0.117 nan 8.370 nan 0.000 0.458 92 V N 4.573 124.521 119.914 0.057 0.000 2.448 92 V HA 0.248 4.368 4.120 -0.000 0.000 0.295 92 V C -0.234 175.923 176.094 0.105 0.000 1.025 92 V CA -1.004 61.347 62.300 0.084 0.000 0.859 92 V CB 1.575 33.451 31.823 0.089 0.000 0.988 92 V HN 0.424 nan 8.190 nan 0.000 0.431 93 L N 6.014 127.304 121.223 0.112 0.000 2.260 93 L HA 0.517 4.857 4.340 -0.000 0.000 0.289 93 L C -0.774 176.205 176.870 0.181 0.000 1.057 93 L CA 0.060 54.972 54.840 0.121 0.000 0.811 93 L CB 0.499 42.603 42.059 0.075 0.000 1.184 93 L HN 0.557 nan 8.230 nan 0.000 0.429 94 F N 6.236 126.212 119.950 0.043 0.000 2.411 94 F HA 0.546 5.073 4.527 -0.001 0.000 0.355 94 F C -0.857 174.974 175.800 0.051 0.000 1.117 94 F CA -0.564 57.466 58.000 0.050 0.000 1.139 94 F CB 0.697 39.726 39.000 0.050 0.000 1.120 94 F HN 0.357 nan 8.300 nan 0.000 0.493 95 L N 7.398 128.322 121.223 -0.498 0.000 2.345 95 L HA 0.302 4.642 4.340 -0.000 0.000 0.274 95 L C 0.584 177.140 176.870 -0.523 0.000 0.999 95 L CA -0.898 53.723 54.840 -0.366 0.000 0.849 95 L CB 1.640 43.602 42.059 -0.162 0.000 1.220 95 L HN 0.611 nan 8.230 nan 0.000 0.422 96 K N 1.266 121.429 120.400 -0.395 0.000 2.360 96 K HA -0.111 4.209 4.320 -0.000 0.000 0.201 96 K C 0.073 176.639 176.600 -0.056 0.000 1.046 96 K CA 0.719 56.892 56.287 -0.190 0.000 0.940 96 K CB -0.411 32.077 32.500 -0.019 0.000 0.748 96 K HN 0.925 nan 8.250 nan 0.000 0.465 97 D N -3.293 117.061 120.400 -0.077 0.000 10.186 97 D HA -0.268 4.372 4.640 -0.000 0.000 0.355 97 D C 0.324 176.636 176.300 0.021 0.000 3.006 97 D CA 0.528 54.507 54.000 -0.034 0.000 2.406 97 D CB -1.181 39.592 40.800 -0.045 0.000 1.188 97 D HN 0.118 nan 8.370 nan 0.000 1.028 98 c N -2.077 116.532 118.600 0.015 0.000 6.136 98 c HA 0.055 4.625 4.570 -0.000 0.000 0.204 98 c C 0.512 174.572 174.090 -0.050 0.000 1.083 98 c CA 1.618 57.934 56.329 -0.023 0.000 0.953 98 c CB -1.997 40.485 42.510 -0.046 0.000 2.253 98 c HN 1.721 nan 8.230 nan 0.000 0.692 106 A N -0.287 122.530 122.820 -0.005 0.000 3.250 106 A HA -0.333 3.987 4.320 -0.000 0.000 0.237 106 A C 1.659 179.238 177.584 -0.007 0.000 0.676 106 A CA 1.921 53.957 52.037 -0.003 0.000 1.294 106 A CB -2.586 16.412 19.000 -0.002 0.000 1.250 106 A HN 0.397 nan 8.150 nan 0.000 0.686 107 c N -2.402 116.190 118.600 -0.014 0.000 2.793 107 c HA 0.563 5.133 4.570 -0.000 0.000 0.285 107 c C 2.579 176.657 174.090 -0.019 0.000 1.325 107 c CA 2.619 58.935 56.329 -0.021 0.000 1.694 107 c CB -0.082 42.408 42.510 -0.033 0.000 2.151 107 c HN 2.504 nan 8.230 nan 0.000 0.532 108 A N 0.411 123.219 122.820 -0.021 0.000 1.325 108 A HA -0.248 4.072 4.320 -0.000 0.000 0.277 108 A C 0.336 177.913 177.584 -0.012 0.000 2.151 108 A CA 1.097 53.121 52.037 -0.020 0.000 1.090 108 A CB -1.800 17.186 19.000 -0.023 0.000 1.467 108 A HN 0.640 nan 8.150 nan 0.000 0.720 109 N N 1.403 120.098 118.700 -0.008 0.000 2.791 109 N HA 0.537 5.276 4.740 -0.000 0.000 0.265 109 N C -3.156 172.354 175.510 0.001 0.000 1.580 109 N CA -1.016 52.032 53.050 -0.003 0.000 0.809 109 N CB 1.618 40.104 38.487 -0.003 0.000 1.178 109 N HN 0.458 nan 8.380 nan 0.000 0.499 110 P HA 0.217 nan 4.420 nan 0.000 0.276 110 P C -0.450 176.856 177.300 0.009 0.000 1.244 110 P CA -0.504 62.600 63.100 0.007 0.000 0.801 110 P CB 0.690 32.396 31.700 0.011 0.000 1.006 111 A N 1.577 124.404 122.820 0.011 0.000 2.555 111 A HA 0.380 4.700 4.320 -0.000 0.000 0.233 111 A C 0.657 178.248 177.584 0.012 0.000 1.060 111 A CA 0.171 52.214 52.037 0.011 0.000 0.759 111 A CB -0.803 18.206 19.000 0.013 0.000 0.995 111 A HN 0.653 nan 8.150 nan 0.000 0.506 112 A N 1.266 124.092 122.820 0.010 0.000 2.540 112 A HA 0.470 4.789 4.320 -0.000 0.000 0.239 112 A C 1.693 179.284 177.584 0.013 0.000 1.061 112 A CA 0.852 52.895 52.037 0.010 0.000 0.758 112 A CB -0.806 18.198 19.000 0.007 0.000 0.991 112 A HN 2.811 nan 8.150 nan 0.000 0.502 113 G N 1.848 110.656 108.800 0.014 0.000 2.148 113 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.254 113 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.254 113 G C 0.423 175.337 174.900 0.024 0.000 0.981 113 G CA 0.432 45.542 45.100 0.018 0.000 0.670 113 G HN 1.225 nan 8.290 nan 0.000 0.528 114 S N -0.591 115.124 115.700 0.025 0.000 2.548 114 S HA 0.505 4.975 4.470 -0.000 0.000 0.277 114 S C 0.412 175.036 174.600 0.040 0.000 1.315 114 S CA -0.302 57.917 58.200 0.032 0.000 1.050 114 S CB 2.206 65.424 63.200 0.029 0.000 0.918 114 S HN 0.597 nan 8.310 nan 0.000 0.497 115 V N 5.078 125.022 119.914 0.051 0.000 2.347 115 V HA 0.423 4.543 4.120 -0.000 0.000 0.280 115 V C -0.216 175.925 176.094 0.078 0.000 1.021 115 V CA -0.403 61.936 62.300 0.066 0.000 0.847 115 V CB 0.755 32.624 31.823 0.077 0.000 0.990 115 V HN 0.736 nan 8.190 nan 0.000 0.444 116 I N 5.622 126.239 120.570 0.077 0.000 2.441 116 I HA 0.457 4.626 4.170 -0.000 0.000 0.295 116 I C -0.743 175.444 176.117 0.116 0.000 0.994 116 I CA -0.761 60.590 61.300 0.084 0.000 1.144 116 I CB 1.990 40.016 38.000 0.044 0.000 1.314 116 I HN 0.406 nan 8.210 nan 0.000 0.445 117 L N 7.448 128.777 121.223 0.177 0.000 2.313 117 L HA 0.542 4.882 4.340 -0.000 0.000 0.283 117 L C -0.644 176.307 176.870 0.135 0.000 1.013 117 L CA -0.128 54.856 54.840 0.240 0.000 0.816 117 L CB 1.057 43.358 42.059 0.404 0.000 1.236 117 L HN 0.436 nan 8.230 nan 0.000 0.419 118 L N 2.235 123.484 121.223 0.043 0.000 2.468 118 L HA 0.376 4.716 4.340 -0.000 0.000 0.254 118 L C 0.419 177.209 176.870 -0.134 0.000 1.171 118 L CA -0.679 54.095 54.840 -0.109 0.000 0.809 118 L CB 0.622 42.648 42.059 -0.054 0.000 1.155 118 L HN 0.606 nan 8.230 nan 0.000 0.473 119 E N 1.136 121.166 120.200 -0.284 0.000 2.392 119 E HA -0.037 4.313 4.350 -0.000 0.000 0.259 119 E C -0.055 176.476 176.600 -0.116 0.000 1.108 119 E CA -0.311 56.001 56.400 -0.146 0.000 0.916 119 E CB 0.376 30.002 29.700 -0.122 0.000 0.989 119 E HN 0.363 nan 8.360 nan 0.000 0.432 120 N N 3.255 121.789 118.700 -0.276 0.000 1.923 120 N HA -0.177 4.562 4.740 -0.000 0.000 0.305 120 N C 0.693 176.045 175.510 -0.263 0.000 1.339 120 N CA 0.447 53.236 53.050 -0.436 0.000 0.825 120 N CB 0.146 38.013 38.487 -1.033 0.000 1.095 120 N HN 0.569 nan 8.380 nan 0.000 0.498 121 L N 3.635 124.863 121.223 0.009 0.000 2.127 121 L HA -0.144 4.195 4.340 -0.000 0.000 0.211 121 L C 1.849 178.836 176.870 0.194 0.000 1.089 121 L CA 1.186 56.146 54.840 0.199 0.000 0.757 121 L CB -0.132 42.062 42.059 0.226 0.000 0.899 121 L HN 0.476 nan 8.230 nan 0.000 0.434 122 R N -0.820 119.725 120.500 0.075 0.000 2.346 122 R HA 0.006 4.345 4.340 -0.000 0.000 0.225 122 R C 1.186 177.606 176.300 0.199 0.000 0.987 122 R CA -0.066 56.069 56.100 0.059 0.000 1.106 122 R CB -0.002 30.303 30.300 0.008 0.000 1.090 122 R HN 0.170 nan 8.270 nan 0.000 0.502 123 F N 0.166 120.122 119.950 0.010 0.000 2.604 123 F HA 0.008 4.534 4.527 -0.000 0.000 0.298 123 F C 0.873 176.459 175.800 -0.355 0.000 1.131 123 F CA 0.198 58.104 58.000 -0.156 0.000 1.457 123 F CB -0.324 38.560 39.000 -0.192 0.000 1.095 123 F HN 0.041 nan 8.300 nan 0.000 0.574 124 H N -1.169 117.939 119.070 0.063 0.000 2.489 124 H HA 0.211 4.767 4.556 -0.000 0.000 0.343 124 H C 0.952 176.114 175.328 -0.277 0.000 1.086 124 H CA -0.385 55.579 56.048 -0.140 0.000 1.198 124 H CB 2.910 32.502 29.762 -0.284 0.000 1.490 124 H HN -0.200 nan 8.280 nan 0.000 0.504 125 V N 3.219 123.048 119.914 -0.142 0.000 2.759 125 V HA -0.189 3.931 4.120 -0.000 0.000 0.256 125 V C 1.268 177.197 176.094 -0.275 0.000 1.080 125 V CA 1.813 64.008 62.300 -0.175 0.000 1.101 125 V CB -0.263 31.490 31.823 -0.116 0.000 0.698 125 V HN 0.657 nan 8.190 nan 0.000 0.477 126 E N -0.088 119.858 120.200 -0.423 0.000 2.472 126 E HA -0.173 4.177 4.350 -0.000 0.000 0.200 126 E C 1.838 178.076 176.600 -0.603 0.000 1.046 126 E CA 0.922 57.016 56.400 -0.511 0.000 0.871 126 E CB -0.003 29.364 29.700 -0.555 0.000 0.806 126 E HN 0.782 nan 8.360 nan 0.000 0.533 127 E N 1.355 121.154 120.200 -0.668 0.000 2.008 127 E HA -0.155 4.194 4.350 -0.000 0.000 0.191 127 E C 1.469 177.882 176.600 -0.312 0.000 0.986 127 E CA 1.451 57.657 56.400 -0.323 0.000 0.807 127 E CB -0.009 29.573 29.700 -0.198 0.000 0.766 127 E HN 0.260 nan 8.360 nan 0.000 0.450 128 E N -0.958 118.956 120.200 -0.478 0.000 2.150 128 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 128 E C 1.249 177.701 176.600 -0.247 0.000 0.985 128 E CA 0.661 56.692 56.400 -0.615 0.000 0.814 128 E CB -0.027 29.346 29.700 -0.545 0.000 0.752 128 E HN 0.531 nan 8.360 nan 0.000 0.466 129 G N 1.691 110.374 108.800 -0.196 0.000 2.234 129 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.235 129 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.235 129 G C 0.240 175.078 174.900 -0.102 0.000 0.997 129 G CA 0.607 45.638 45.100 -0.114 0.000 0.623 129 G HN 0.351 nan 8.290 nan 0.000 0.514 130 K N -0.914 119.413 120.400 -0.122 0.000 2.533 130 K HA 0.801 5.120 4.320 -0.000 0.000 0.272 130 K C 0.030 176.565 176.600 -0.109 0.000 0.985 130 K CA -0.394 55.836 56.287 -0.094 0.000 0.876 130 K CB 1.800 34.260 32.500 -0.067 0.000 1.452 130 K HN 1.368 nan 8.250 nan 0.000 0.439 131 G N 0.611 109.362 108.800 -0.081 0.000 2.435 131 G HA2 0.367 4.327 3.960 -0.000 0.000 0.296 131 G HA3 0.367 4.327 3.960 -0.000 0.000 0.296 131 G C -1.829 173.040 174.900 -0.051 0.000 1.240 131 G CA -0.957 44.099 45.100 -0.074 0.000 0.872 131 G HN 0.509 nan 8.290 nan 0.000 0.480 132 K N 0.224 120.598 120.400 -0.043 0.000 2.350 132 K HA 0.559 4.879 4.320 -0.000 0.000 0.241 132 K C -0.955 175.626 176.600 -0.032 0.000 0.994 132 K CA -0.845 55.423 56.287 -0.031 0.000 0.839 132 K CB 1.974 34.461 32.500 -0.021 0.000 1.244 132 K HN 0.685 nan 8.250 nan 0.000 0.443 133 D N 0.021 120.405 120.400 -0.027 0.000 2.440 133 D HA 0.154 4.794 4.640 -0.000 0.000 0.269 133 D C 0.697 176.983 176.300 -0.023 0.000 1.249 133 D CA -0.596 53.387 54.000 -0.027 0.000 1.055 133 D CB 0.221 41.007 40.800 -0.024 0.000 1.104 133 D HN 0.459 nan 8.370 nan 0.000 0.561 134 A N -0.665 122.140 122.820 -0.025 0.000 2.167 134 A HA 0.008 4.328 4.320 -0.000 0.000 0.214 134 A C 1.799 179.375 177.584 -0.014 0.000 1.151 134 A CA 0.955 52.978 52.037 -0.023 0.000 0.735 134 A CB -0.703 18.280 19.000 -0.030 0.000 0.802 134 A HN 0.417 nan 8.150 nan 0.000 0.467 135 S N -1.045 114.648 115.700 -0.012 0.000 2.288 135 S HA 0.367 4.837 4.470 -0.000 0.000 0.198 135 S C 1.538 176.136 174.600 -0.004 0.000 1.021 135 S CA 0.809 59.005 58.200 -0.007 0.000 0.973 135 S CB -0.321 62.874 63.200 -0.008 0.000 0.946 135 S HN 0.977 nan 8.310 nan 0.000 0.470 136 G N 0.692 109.488 108.800 -0.006 0.000 4.449 136 G HA2 0.091 4.051 3.960 -0.000 0.000 0.195 136 G HA3 0.091 4.051 3.960 -0.000 0.000 0.195 136 G C -0.744 174.151 174.900 -0.008 0.000 0.806 136 G CA -0.570 44.527 45.100 -0.004 0.000 0.774 136 G HN 0.226 nan 8.290 nan 0.000 0.508 137 N N 1.949 120.643 118.700 -0.011 0.000 2.430 137 N HA 0.289 5.029 4.740 -0.000 0.000 0.265 137 N C 0.143 175.643 175.510 -0.017 0.000 1.100 137 N CA 0.027 53.069 53.050 -0.013 0.000 0.961 137 N CB 1.345 39.824 38.487 -0.012 0.000 1.075 137 N HN 0.195 nan 8.380 nan 0.000 0.478 138 K N 0.513 120.903 120.400 -0.017 0.000 2.524 138 K HA 0.053 4.373 4.320 -0.000 0.000 0.279 138 K C 0.238 176.823 176.600 -0.025 0.000 0.993 138 K CA 0.140 56.414 56.287 -0.022 0.000 1.030 138 K CB 0.350 32.838 32.500 -0.020 0.000 0.891 138 K HN 0.413 nan 8.250 nan 0.000 0.488 139 V N 0.105 120.000 119.914 -0.031 0.000 2.960 139 V HA 0.647 4.766 4.120 -0.000 0.000 0.315 139 V C -1.076 174.995 176.094 -0.038 0.000 1.087 139 V CA -0.954 61.326 62.300 -0.033 0.000 0.982 139 V CB 2.058 33.860 31.823 -0.035 0.000 1.039 139 V HN 0.551 nan 8.190 nan 0.000 0.437 140 K N 2.787 123.166 120.400 -0.035 0.000 2.221 140 K HA 0.836 5.156 4.320 -0.000 0.000 0.258 140 K C -0.218 176.358 176.600 -0.041 0.000 0.944 140 K CA 0.062 56.327 56.287 -0.037 0.000 0.823 140 K CB 1.430 33.913 32.500 -0.028 0.000 1.113 140 K HN 1.298 nan 8.250 nan 0.000 0.431 141 A N 3.644 126.433 122.820 -0.051 0.000 2.401 141 A HA 0.283 4.603 4.320 -0.000 0.000 0.259 141 A C -0.270 177.293 177.584 -0.035 0.000 1.103 141 A CA -0.346 51.659 52.037 -0.053 0.000 0.789 141 A CB 0.107 19.059 19.000 -0.080 0.000 1.035 141 A HN 0.701 nan 8.150 nan 0.000 0.491 142 E N 2.251 122.436 120.200 -0.025 0.000 2.373 142 E HA 0.122 4.472 4.350 -0.000 0.000 0.267 142 E C -1.533 175.062 176.600 -0.009 0.000 1.032 142 E CA -1.649 54.742 56.400 -0.014 0.000 0.889 142 E CB 0.765 30.460 29.700 -0.008 0.000 0.984 142 E HN 0.366 nan 8.360 nan 0.000 0.425 143 P HA -0.116 nan 4.420 nan 0.000 0.216 143 P C 0.897 178.201 177.300 0.006 0.000 1.153 143 P CA 1.570 64.669 63.100 -0.001 0.000 0.848 143 P CB 0.194 31.892 31.700 -0.003 0.000 0.787 144 A N -0.268 122.556 122.820 0.006 0.000 2.019 144 A HA -0.188 4.131 4.320 -0.000 0.000 0.219 144 A C 2.142 179.738 177.584 0.019 0.000 1.164 144 A CA 1.577 53.620 52.037 0.010 0.000 0.644 144 A CB -0.954 18.050 19.000 0.007 0.000 0.805 144 A HN 0.136 nan 8.150 nan 0.000 0.449 145 K N -0.690 119.722 120.400 0.020 0.000 2.137 145 K HA 0.145 4.465 4.320 -0.000 0.000 0.202 145 K C 1.720 178.354 176.600 0.056 0.000 1.052 145 K CA 0.863 57.170 56.287 0.034 0.000 0.961 145 K CB -0.209 32.304 32.500 0.021 0.000 0.741 145 K HN 0.490 nan 8.250 nan 0.000 0.452 146 I N 1.247 121.839 120.570 0.036 0.000 2.208 146 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 146 I C 2.420 178.595 176.117 0.098 0.000 1.097 146 I CA 1.268 62.602 61.300 0.057 0.000 1.363 146 I CB -0.127 37.884 38.000 0.019 0.000 1.051 146 I HN 0.183 nan 8.210 nan 0.000 0.413 147 E N 1.433 121.666 120.200 0.054 0.000 2.106 147 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 147 E C 2.042 178.663 176.600 0.035 0.000 0.984 147 E CA 1.560 57.980 56.400 0.034 0.000 0.806 147 E CB -0.132 29.576 29.700 0.013 0.000 0.750 147 E HN 0.411 nan 8.360 nan 0.000 0.458 148 A N -0.173 122.679 122.820 0.053 0.000 1.930 148 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 148 A C 2.207 179.827 177.584 0.060 0.000 1.175 148 A CA 1.177 53.240 52.037 0.045 0.000 0.627 148 A CB -0.935 18.096 19.000 0.051 0.000 0.815 148 A HN 0.461 nan 8.150 nan 0.000 0.443 149 F N 0.584 120.502 119.950 -0.053 0.000 2.075 149 F HA -0.191 4.336 4.527 -0.000 0.000 0.297 149 F C 2.477 178.225 175.800 -0.086 0.000 1.113 149 F CA 1.941 59.891 58.000 -0.083 0.000 1.218 149 F CB -0.105 38.849 39.000 -0.078 0.000 0.984 149 F HN 0.095 nan 8.300 nan 0.000 0.472 150 R N 0.116 120.596 120.500 -0.033 0.000 2.120 150 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 150 R C 2.340 178.537 176.300 -0.171 0.000 1.123 150 R CA 1.090 57.109 56.100 -0.136 0.000 0.975 150 R CB -0.678 29.604 30.300 -0.030 0.000 0.866 150 R HN 0.410 nan 8.270 nan 0.000 0.446 151 A N 0.307 123.057 122.820 -0.117 0.000 1.897 151 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 151 A C 2.170 179.672 177.584 -0.137 0.000 1.181 151 A CA 1.312 53.286 52.037 -0.105 0.000 0.620 151 A CB -0.388 18.576 19.000 -0.060 0.000 0.821 151 A HN 0.191 nan 8.150 nan 0.000 0.443 152 S N 0.100 115.696 115.700 -0.173 0.000 2.372 152 S HA -0.185 4.285 4.470 -0.000 0.000 0.227 152 S C 1.848 176.300 174.600 -0.247 0.000 1.044 152 S CA 1.763 59.839 58.200 -0.207 0.000 1.050 152 S CB -0.514 62.523 63.200 -0.272 0.000 0.901 152 S HN 0.524 nan 8.310 nan 0.000 0.447 153 L N 0.928 121.938 121.223 -0.355 0.000 2.056 153 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 153 L C 2.425 179.183 176.870 -0.186 0.000 1.078 153 L CA 1.134 55.787 54.840 -0.312 0.000 0.749 153 L CB -0.776 41.044 42.059 -0.398 0.000 0.901 153 L HN 0.268 nan 8.230 nan 0.000 0.433 154 S N -0.548 115.046 115.700 -0.178 0.000 2.474 154 S HA -0.094 4.376 4.470 -0.000 0.000 0.235 154 S C 1.881 176.430 174.600 -0.085 0.000 0.997 154 S CA 0.793 58.917 58.200 -0.127 0.000 0.949 154 S CB -0.101 63.023 63.200 -0.127 0.000 0.766 154 S HN 0.277 nan 8.310 nan 0.000 0.517 155 K N 1.353 121.699 120.400 -0.090 0.000 2.228 155 K HA 0.165 4.484 4.320 -0.000 0.000 0.202 155 K C 1.671 178.241 176.600 -0.051 0.000 1.051 155 K CA 0.505 56.753 56.287 -0.065 0.000 0.960 155 K CB -0.346 32.113 32.500 -0.068 0.000 0.743 155 K HN 0.413 nan 8.250 nan 0.000 0.458 156 L N -0.252 120.935 121.223 -0.060 0.000 2.362 156 L HA -0.055 4.285 4.340 -0.000 0.000 0.219 156 L C 1.324 178.184 176.870 -0.015 0.000 1.134 156 L CA 0.469 55.285 54.840 -0.040 0.000 0.807 156 L CB -0.322 41.709 42.059 -0.048 0.000 0.927 156 L HN 0.065 nan 8.230 nan 0.000 0.447 157 G N -1.875 106.920 108.800 -0.008 0.000 2.727 157 G HA2 0.297 4.257 3.960 -0.000 0.000 0.289 157 G HA3 0.297 4.257 3.960 -0.000 0.000 0.289 157 G C -0.636 174.269 174.900 0.008 0.000 1.418 157 G CA -0.345 44.761 45.100 0.010 0.000 0.818 157 G HN -0.169 nan 8.290 nan 0.000 0.486 158 D N -1.326 119.083 120.400 0.016 0.000 2.422 158 D HA 0.120 4.760 4.640 -0.000 0.000 0.218 158 D C 0.957 177.272 176.300 0.026 0.000 1.047 158 D CA 1.014 55.022 54.000 0.013 0.000 0.885 158 D CB 1.468 42.275 40.800 0.011 0.000 1.035 158 D HN 0.391 nan 8.370 nan 0.000 0.502 159 V N -1.663 118.276 119.914 0.042 0.000 3.078 159 V HA 0.607 4.726 4.120 -0.000 0.000 0.311 159 V C -1.395 174.766 176.094 0.112 0.000 1.138 159 V CA -1.134 61.203 62.300 0.063 0.000 1.007 159 V CB 2.319 34.167 31.823 0.041 0.000 1.045 159 V HN 0.019 nan 8.190 nan 0.000 0.432 160 Y N 1.802 122.082 120.300 -0.033 0.000 2.409 160 Y HA 0.838 5.388 4.550 -0.000 0.000 0.343 160 Y C -1.034 174.837 175.900 -0.049 0.000 0.973 160 Y CA -0.887 57.188 58.100 -0.042 0.000 1.064 160 Y CB 2.205 40.639 38.460 -0.043 0.000 1.207 160 Y HN 0.679 nan 8.280 nan 0.000 0.452 161 V N 6.059 125.649 119.914 -0.540 0.000 2.495 161 V HA 0.337 4.457 4.120 -0.000 0.000 0.298 161 V C -0.820 174.768 176.094 -0.844 0.000 1.031 161 V CA -1.012 60.966 62.300 -0.537 0.000 0.871 161 V CB 1.662 33.291 31.823 -0.324 0.000 0.988 161 V HN 0.797 nan 8.190 nan 0.000 0.432 162 N N 2.776 121.113 118.700 -0.605 0.000 2.469 162 N HA 0.284 5.024 4.740 -0.000 0.000 0.253 162 N C -0.221 175.171 175.510 -0.197 0.000 0.970 162 N CA -0.143 52.662 53.050 -0.409 0.000 0.940 162 N CB 1.753 40.121 38.487 -0.200 0.000 1.128 162 N HN 0.694 nan 8.380 nan 0.000 0.503 163 D N 1.784 122.088 120.400 -0.161 0.000 2.398 163 D HA 0.243 4.883 4.640 -0.000 0.000 0.210 163 D C 0.142 176.457 176.300 0.026 0.000 1.094 163 D CA 0.012 53.977 54.000 -0.058 0.000 0.839 163 D CB 0.375 41.134 40.800 -0.068 0.000 0.963 163 D HN 0.561 nan 8.370 nan 0.000 0.506 164 A N 0.629 123.450 122.820 0.002 0.000 3.063 164 A HA 0.123 4.443 4.320 -0.000 0.000 0.263 164 A C 1.017 178.663 177.584 0.104 0.000 1.736 164 A CA -0.413 51.648 52.037 0.041 0.000 1.408 164 A CB -1.467 17.539 19.000 0.009 0.000 1.108 164 A HN 0.335 nan 8.150 nan 0.000 0.621 165 F N 1.506 121.488 119.950 0.053 0.000 2.161 165 F HA -0.098 4.429 4.527 -0.000 0.000 0.300 165 F C 2.004 177.856 175.800 0.087 0.000 1.089 165 F CA 2.139 60.184 58.000 0.074 0.000 1.282 165 F CB -0.100 38.962 39.000 0.103 0.000 1.010 165 F HN 0.432 nan 8.300 nan 0.000 0.485 166 G N -1.380 107.417 108.800 -0.004 0.000 2.470 166 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.220 166 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.220 166 G C 1.236 176.135 174.900 -0.001 0.000 1.121 166 G CA 1.281 46.347 45.100 -0.057 0.000 0.766 166 G HN 0.409 nan 8.290 nan 0.000 0.553 167 T N 0.467 115.039 114.554 0.031 0.000 3.134 167 T HA 0.456 4.806 4.350 -0.000 0.000 0.260 167 T C 2.206 176.865 174.700 -0.067 0.000 1.027 167 T CA 0.349 62.468 62.100 0.032 0.000 0.913 167 T CB 0.754 69.669 68.868 0.077 0.000 1.046 167 T HN 0.280 nan 8.240 nan 0.000 0.553 168 A N 2.200 124.978 122.820 -0.071 0.000 2.121 168 A HA -0.122 4.197 4.320 -0.000 0.000 0.218 168 A C 1.902 179.446 177.584 -0.066 0.000 1.154 168 A CA 0.985 52.967 52.037 -0.093 0.000 0.679 168 A CB -0.614 18.293 19.000 -0.154 0.000 0.795 168 A HN 0.737 nan 8.150 nan 0.000 0.458 169 H N -1.682 117.244 119.070 -0.240 0.000 2.539 169 H HA 0.252 4.807 4.556 -0.001 0.000 0.269 169 H C -0.311 174.878 175.328 -0.232 0.000 0.980 169 H CA -0.163 55.762 56.048 -0.204 0.000 1.152 169 H CB -0.146 29.498 29.762 -0.197 0.000 1.407 169 H HN 0.097 nan 8.280 nan 0.000 0.564 170 R N 1.310 121.433 120.500 -0.627 0.000 2.294 170 R HA 0.464 4.804 4.340 -0.000 0.000 0.319 170 R C -0.242 175.716 176.300 -0.571 0.000 0.984 170 R CA -0.340 55.257 56.100 -0.839 0.000 0.861 170 R CB 1.327 30.891 30.300 -1.228 0.000 1.104 170 R HN 0.305 nan 8.270 nan 0.000 0.451 171 A N 4.702 127.274 122.820 -0.414 0.000 3.168 171 A HA 0.199 4.519 4.320 -0.000 0.000 0.260 171 A C -0.249 177.331 177.584 -0.006 0.000 1.598 171 A CA -0.284 51.660 52.037 -0.155 0.000 1.285 171 A CB -0.637 18.318 19.000 -0.076 0.000 1.149 171 A HN 0.724 nan 8.150 nan 0.000 0.630 172 H N -0.810 118.218 119.070 -0.069 0.000 2.508 172 H HA 0.248 4.803 4.556 -0.000 0.000 0.344 172 H C 1.168 176.498 175.328 0.004 0.000 1.192 172 H CA -0.668 55.352 56.048 -0.047 0.000 1.290 172 H CB 1.437 31.154 29.762 -0.075 0.000 1.571 172 H HN 0.399 nan 8.280 nan 0.000 0.555 173 S N 0.482 116.293 115.700 0.186 0.000 2.383 173 S HA -0.201 4.269 4.470 -0.000 0.000 0.229 173 S C 2.122 176.794 174.600 0.120 0.000 1.030 173 S CA 1.748 60.051 58.200 0.173 0.000 1.002 173 S CB -0.297 63.105 63.200 0.337 0.000 0.829 173 S HN 0.753 nan 8.310 nan 0.000 0.467 174 S N -0.273 115.528 115.700 0.167 0.000 2.562 174 S HA 0.188 4.657 4.470 -0.000 0.000 0.221 174 S C 1.478 176.161 174.600 0.139 0.000 0.975 174 S CA 0.289 58.557 58.200 0.112 0.000 0.918 174 S CB -0.068 63.227 63.200 0.158 0.000 0.772 174 S HN 0.297 nan 8.310 nan 0.000 0.531 175 M N 0.870 120.537 119.600 0.113 0.000 2.638 175 M HA 0.270 4.750 4.480 -0.000 0.000 0.256 175 M C 1.739 178.079 176.300 0.067 0.000 1.282 175 M CA 0.850 56.219 55.300 0.116 0.000 1.155 175 M CB 0.524 33.145 32.600 0.035 0.000 1.345 175 M HN 0.433 nan 8.290 nan 0.000 0.523 176 V N -4.328 115.591 119.914 0.009 0.000 3.451 176 V HA 0.531 4.651 4.120 -0.000 0.000 0.288 176 V C 1.148 177.203 176.094 -0.066 0.000 1.502 176 V CA 0.707 62.994 62.300 -0.021 0.000 1.026 176 V CB 0.046 31.862 31.823 -0.013 0.000 0.840 176 V HN 0.297 nan 8.190 nan 0.000 0.437 177 G N 0.333 109.081 108.800 -0.088 0.000 3.377 177 G HA2 0.343 4.303 3.960 -0.000 0.000 0.257 177 G HA3 0.343 4.303 3.960 -0.000 0.000 0.257 177 G C 0.182 174.978 174.900 -0.174 0.000 1.038 177 G CA 0.228 45.271 45.100 -0.095 0.000 0.809 177 G HN 0.320 nan 8.290 nan 0.000 0.526 178 V N 2.668 122.384 119.914 -0.329 0.000 2.415 178 V HA 0.124 4.243 4.120 -0.000 0.000 0.267 178 V C -0.381 175.506 176.094 -0.345 0.000 1.042 178 V CA -0.647 61.396 62.300 -0.428 0.000 1.000 178 V CB 0.536 31.868 31.823 -0.819 0.000 1.015 178 V HN 0.247 nan 8.190 nan 0.000 0.478 179 N N 7.115 125.690 118.700 -0.209 0.000 2.868 179 N HA 0.409 5.148 4.740 -0.000 0.000 0.252 179 N C -0.728 174.717 175.510 -0.108 0.000 1.130 179 N CA 0.049 53.017 53.050 -0.137 0.000 1.026 179 N CB 0.884 39.314 38.487 -0.095 0.000 1.335 179 N HN 0.540 nan 8.380 nan 0.000 0.516 180 L N 0.997 122.158 121.223 -0.103 0.000 2.371 180 L HA 0.440 4.780 4.340 -0.000 0.000 0.262 180 L C -1.525 175.331 176.870 -0.024 0.000 1.006 180 L CA -1.902 52.909 54.840 -0.049 0.000 0.818 180 L CB 2.555 44.601 42.059 -0.022 0.000 1.354 180 L HN 0.020 nan 8.230 nan 0.000 0.415 181 P HA -0.046 nan 4.420 nan 0.000 0.221 181 P C -0.434 176.874 177.300 0.013 0.000 1.150 181 P CA 1.027 64.126 63.100 -0.001 0.000 0.800 181 P CB 0.344 32.044 31.700 0.000 0.000 0.787 182 Q N -0.000 119.817 119.800 0.029 0.000 2.341 182 Q HA 0.356 4.696 4.340 -0.000 0.000 0.268 182 Q C -0.645 175.405 176.000 0.084 0.000 1.013 182 Q CA -0.408 55.420 55.803 0.042 0.000 0.798 182 Q CB 1.666 30.424 28.738 0.033 0.000 1.253 182 Q HN -0.003 nan 8.270 nan 0.000 0.457 183 K N 1.631 122.090 120.400 0.098 0.000 2.521 183 K HA 0.611 4.931 4.320 -0.000 0.000 0.248 183 K C -1.149 175.507 176.600 0.094 0.000 0.978 183 K CA -0.331 56.077 56.287 0.200 0.000 0.947 183 K CB 1.690 34.338 32.500 0.247 0.000 1.165 183 K HN 0.511 nan 8.250 nan 0.000 0.445 184 A N 1.845 124.670 122.820 0.008 0.000 2.324 184 A HA 0.710 5.030 4.320 -0.000 0.000 0.330 184 A C 0.152 177.659 177.584 -0.130 0.000 1.165 184 A CA -0.691 51.304 52.037 -0.070 0.000 0.813 184 A CB 1.075 20.009 19.000 -0.111 0.000 1.197 184 A HN 0.709 nan 8.150 nan 0.000 0.484 185 G N 1.021 109.757 108.800 -0.106 0.000 2.355 185 G HA2 0.483 4.443 3.960 -0.000 0.000 0.276 185 G HA3 0.483 4.443 3.960 -0.000 0.000 0.276 185 G C 0.509 175.291 174.900 -0.197 0.000 1.198 185 G CA 0.343 45.377 45.100 -0.110 0.000 0.876 185 G HN 1.078 nan 8.290 nan 0.000 0.478 186 G N 0.567 109.235 108.800 -0.221 0.000 2.588 186 G HA2 0.346 4.305 3.960 -0.000 0.000 0.278 186 G HA3 0.346 4.305 3.960 -0.000 0.000 0.278 186 G C 0.579 175.359 174.900 -0.199 0.000 1.307 186 G CA -0.517 44.378 45.100 -0.340 0.000 1.016 186 G HN 0.385 nan 8.290 nan 0.000 0.503 187 F N -0.850 119.038 119.950 -0.103 0.000 2.234 187 F HA 0.069 4.596 4.527 -0.001 0.000 0.299 187 F C 2.419 178.203 175.800 -0.027 0.000 1.087 187 F CA 0.189 58.139 58.000 -0.084 0.000 1.340 187 F CB -0.477 38.471 39.000 -0.087 0.000 1.031 187 F HN 0.164 nan 8.300 nan 0.000 0.500 188 L N -0.843 120.489 121.223 0.181 0.000 2.005 188 L HA -0.240 4.100 4.340 -0.000 0.000 0.207 188 L C 2.413 179.340 176.870 0.095 0.000 1.072 188 L CA 1.439 56.364 54.840 0.141 0.000 0.744 188 L CB -0.446 41.703 42.059 0.150 0.000 0.895 188 L HN 0.173 nan 8.230 nan 0.000 0.433 189 M N 0.647 120.311 119.600 0.107 0.000 2.163 189 M HA -0.337 4.143 4.480 -0.000 0.000 0.258 189 M C 2.226 178.559 176.300 0.056 0.000 1.071 189 M CA 2.365 57.738 55.300 0.123 0.000 1.093 189 M CB -0.525 32.136 32.600 0.103 0.000 1.285 189 M HN 0.067 nan 8.290 nan 0.000 0.420 190 K N -0.204 120.222 120.400 0.044 0.000 2.015 190 K HA -0.317 4.002 4.320 -0.000 0.000 0.220 190 K C 2.153 178.740 176.600 -0.021 0.000 1.055 190 K CA 2.612 58.914 56.287 0.025 0.000 0.951 190 K CB -0.493 32.047 32.500 0.067 0.000 0.725 190 K HN 0.455 nan 8.250 nan 0.000 0.449 191 K N 0.212 120.609 120.400 -0.006 0.000 2.032 191 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 191 K C 1.922 178.448 176.600 -0.123 0.000 1.048 191 K CA 1.878 58.137 56.287 -0.046 0.000 0.927 191 K CB -0.074 32.465 32.500 0.064 0.000 0.712 191 K HN 0.217 nan 8.250 nan 0.000 0.441 192 E N 1.023 121.138 120.200 -0.141 0.000 2.023 192 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 192 E C 2.208 178.728 176.600 -0.134 0.000 1.003 192 E CA 1.325 57.534 56.400 -0.317 0.000 0.809 192 E CB -0.331 28.787 29.700 -0.970 0.000 0.755 192 E HN 0.404 nan 8.360 nan 0.000 0.449 193 L N 1.077 122.260 121.223 -0.066 0.000 2.131 193 L HA -0.195 4.144 4.340 -0.000 0.000 0.210 193 L C 2.175 179.050 176.870 0.008 0.000 1.092 193 L CA 1.019 55.905 54.840 0.076 0.000 0.759 193 L CB -0.594 41.523 42.059 0.096 0.000 0.903 193 L HN 0.221 nan 8.230 nan 0.000 0.435 194 N N -0.856 117.778 118.700 -0.110 0.000 2.120 194 N HA -0.226 4.514 4.740 -0.000 0.000 0.188 194 N C 1.849 177.170 175.510 -0.316 0.000 1.024 194 N CA 1.297 54.213 53.050 -0.222 0.000 0.852 194 N CB -0.094 38.202 38.487 -0.320 0.000 1.003 194 N HN 0.306 nan 8.380 nan 0.000 0.424 195 Y N -0.384 119.703 120.300 -0.355 0.000 2.286 195 Y HA -0.033 4.517 4.550 -0.001 0.000 0.293 195 Y C 1.682 177.316 175.900 -0.443 0.000 1.124 195 Y CA 0.773 58.576 58.100 -0.495 0.000 1.178 195 Y CB -0.067 37.864 38.460 -0.881 0.000 1.010 195 Y HN 0.010 nan 8.280 nan 0.000 0.536 196 F N -1.088 118.852 119.950 -0.015 0.000 2.293 196 F HA -0.083 4.443 4.527 -0.000 0.000 0.297 196 F C 2.402 178.202 175.800 0.001 0.000 1.089 196 F CA 0.674 58.688 58.000 0.024 0.000 1.377 196 F CB -0.624 38.419 39.000 0.072 0.000 1.051 196 F HN -0.021 nan 8.300 nan 0.000 0.511 197 A N 0.311 123.205 122.820 0.124 0.000 1.865 197 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 197 A C 2.367 179.946 177.584 -0.008 0.000 1.191 197 A CA 1.504 53.572 52.037 0.051 0.000 0.623 197 A CB -0.544 18.462 19.000 0.009 0.000 0.826 197 A HN 0.077 nan 8.150 nan 0.000 0.444 198 K N -0.291 120.067 120.400 -0.070 0.000 2.001 198 K HA -0.188 4.132 4.320 -0.000 0.000 0.214 198 K C 2.352 178.867 176.600 -0.141 0.000 1.050 198 K CA 1.533 57.753 56.287 -0.112 0.000 0.934 198 K CB -1.022 31.388 32.500 -0.150 0.000 0.718 198 K HN 0.444 nan 8.250 nan 0.000 0.443 199 A N 1.754 124.484 122.820 -0.149 0.000 1.870 199 A HA -0.234 4.085 4.320 -0.000 0.000 0.219 199 A C 2.341 179.812 177.584 -0.189 0.000 1.224 199 A CA 2.463 54.349 52.037 -0.251 0.000 0.650 199 A CB -1.007 17.957 19.000 -0.060 0.000 0.836 199 A HN 0.336 nan 8.150 nan 0.000 0.454 200 L N -2.157 119.088 121.223 0.038 0.000 2.179 200 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 200 L C 2.330 179.242 176.870 0.070 0.000 1.096 200 L CA 1.404 56.317 54.840 0.122 0.000 0.779 200 L CB -0.660 41.490 42.059 0.152 0.000 0.922 200 L HN 0.430 nan 8.230 nan 0.000 0.443 201 E N -0.358 119.855 120.200 0.020 0.000 2.132 201 E HA 0.044 4.394 4.350 -0.000 0.000 0.193 201 E C 0.770 177.365 176.600 -0.008 0.000 0.951 201 E CA 0.334 56.743 56.400 0.015 0.000 0.843 201 E CB 0.465 30.170 29.700 0.009 0.000 0.807 201 E HN 0.087 nan 8.360 nan 0.000 0.467 202 S N 1.890 117.563 115.700 -0.044 0.000 2.139 202 S HA 0.222 4.692 4.470 -0.000 0.000 0.183 202 S C -2.603 171.937 174.600 -0.100 0.000 1.473 202 S CA -1.441 56.727 58.200 -0.054 0.000 1.263 202 S CB 0.440 63.609 63.200 -0.051 0.000 1.170 202 S HN 0.013 nan 8.310 nan 0.000 0.430 203 P HA 0.214 nan 4.420 nan 0.000 0.272 203 P C -0.233 176.975 177.300 -0.154 0.000 1.223 203 P CA -0.230 62.712 63.100 -0.264 0.000 0.784 203 P CB 0.601 32.091 31.700 -0.350 0.000 0.923 204 E N 2.327 122.420 120.200 -0.178 0.000 2.373 204 E HA 0.253 4.603 4.350 -0.000 0.000 0.263 204 E C 0.321 176.911 176.600 -0.017 0.000 1.073 204 E CA 0.017 56.369 56.400 -0.080 0.000 0.894 204 E CB 0.867 30.523 29.700 -0.073 0.000 1.008 204 E HN 0.397 nan 8.360 nan 0.000 0.420 205 R N 1.557 122.072 120.500 0.024 0.000 2.725 205 R HA 0.408 4.748 4.340 -0.000 0.000 0.277 205 R C -2.463 173.867 176.300 0.050 0.000 0.987 205 R CA -1.980 54.163 56.100 0.070 0.000 0.901 205 R CB 1.553 31.896 30.300 0.073 0.000 1.207 205 R HN 0.261 nan 8.270 nan 0.000 0.463 206 P HA 0.002 nan 4.420 nan 0.000 0.269 206 P C -1.126 176.272 177.300 0.163 0.000 1.209 206 P CA 0.112 63.264 63.100 0.087 0.000 0.776 206 P CB 0.386 32.114 31.700 0.047 0.000 0.876 207 F N 3.791 123.734 119.950 -0.011 0.000 2.402 207 F HA 0.495 5.022 4.527 -0.000 0.000 0.355 207 F C -1.074 174.715 175.800 -0.019 0.000 1.123 207 F CA -1.487 56.508 58.000 -0.009 0.000 1.021 207 F CB 0.796 39.796 39.000 0.001 0.000 1.160 207 F HN 0.090 nan 8.300 nan 0.000 0.451 208 L N 6.942 128.252 121.223 0.144 0.000 2.307 208 L HA 0.759 5.099 4.340 -0.000 0.000 0.284 208 L C -0.959 175.819 176.870 -0.153 0.000 1.023 208 L CA -0.293 54.488 54.840 -0.099 0.000 0.810 208 L CB 1.377 43.408 42.059 -0.046 0.000 1.231 208 L HN 0.647 nan 8.230 nan 0.000 0.423 209 A N 6.493 129.130 122.820 -0.305 0.000 2.288 209 A HA 0.716 5.035 4.320 -0.000 0.000 0.320 209 A C -0.629 176.846 177.584 -0.182 0.000 1.217 209 A CA -0.465 51.459 52.037 -0.188 0.000 0.840 209 A CB 0.237 19.091 19.000 -0.242 0.000 1.179 209 A HN 0.706 nan 8.150 nan 0.000 0.504 210 I N 3.139 123.620 120.570 -0.150 0.000 2.321 210 I HA 0.354 4.524 4.170 -0.000 0.000 0.291 210 I C -0.648 175.406 176.117 -0.105 0.000 0.998 210 I CA -0.083 61.035 61.300 -0.303 0.000 1.227 210 I CB 1.137 38.728 38.000 -0.681 0.000 1.368 210 I HN 0.468 nan 8.210 nan 0.000 0.466 211 L N 6.009 127.149 121.223 -0.138 0.000 2.381 211 L HA 0.758 5.098 4.340 -0.000 0.000 0.274 211 L C 0.074 176.921 176.870 -0.039 0.000 0.988 211 L CA -0.433 54.389 54.840 -0.029 0.000 0.824 211 L CB 2.015 44.039 42.059 -0.060 0.000 1.263 211 L HN 0.704 nan 8.230 nan 0.000 0.410 212 G N 0.938 109.774 108.800 0.059 0.000 2.658 212 G HA2 0.866 4.825 3.960 -0.000 0.000 0.292 212 G HA3 0.866 4.825 3.960 -0.000 0.000 0.292 212 G C -0.856 174.086 174.900 0.070 0.000 1.320 212 G CA -0.259 44.880 45.100 0.064 0.000 0.933 212 G HN 0.843 nan 8.290 nan 0.000 0.476 213 G N -1.911 106.933 108.800 0.073 0.000 2.428 213 G HA2 0.634 4.594 3.960 -0.000 0.000 0.305 213 G HA3 0.634 4.594 3.960 -0.000 0.000 0.305 213 G C 0.187 175.138 174.900 0.084 0.000 1.260 213 G CA 0.540 45.683 45.100 0.072 0.000 0.853 213 G HN 1.490 nan 8.290 nan 0.000 0.480 214 A N -0.924 121.937 122.820 0.069 0.000 1.970 214 A HA 0.570 4.890 4.320 -0.000 0.000 0.204 214 A C 0.897 178.516 177.584 0.059 0.000 1.325 214 A CA 0.896 52.973 52.037 0.067 0.000 0.767 214 A CB 0.209 19.227 19.000 0.030 0.000 0.949 214 A HN 0.358 nan 8.150 nan 0.000 0.481 215 K N 0.426 120.849 120.400 0.038 0.000 2.307 215 K HA 0.444 4.764 4.320 -0.000 0.000 0.263 215 K C 0.647 177.264 176.600 0.029 0.000 0.973 215 K CA -0.355 55.944 56.287 0.020 0.000 0.846 215 K CB 2.213 34.713 32.500 -0.001 0.000 1.100 215 K HN 0.066 nan 8.250 nan 0.000 0.438 216 V N 1.479 121.410 119.914 0.029 0.000 2.427 216 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 216 V C 2.186 178.287 176.094 0.012 0.000 1.051 216 V CA 1.952 64.280 62.300 0.046 0.000 1.048 216 V CB -0.848 30.994 31.823 0.033 0.000 0.666 216 V HN 0.905 nan 8.190 nan 0.000 0.456 217 A N 2.018 124.825 122.820 -0.023 0.000 1.940 217 A HA -0.314 4.005 4.320 -0.000 0.000 0.221 217 A C 1.678 179.256 177.584 -0.010 0.000 1.190 217 A CA 2.476 54.495 52.037 -0.030 0.000 0.647 217 A CB -0.927 18.050 19.000 -0.040 0.000 0.821 217 A HN 0.828 nan 8.150 nan 0.000 0.457 218 D N -2.452 117.948 120.400 -0.000 0.000 2.491 218 D HA 0.189 4.828 4.640 -0.000 0.000 0.228 218 D C 0.654 176.962 176.300 0.013 0.000 1.183 218 D CA -0.119 53.884 54.000 0.005 0.000 0.827 218 D CB 0.426 41.227 40.800 0.002 0.000 0.989 218 D HN 0.268 nan 8.370 nan 0.000 0.494 219 K N 0.051 120.466 120.400 0.025 0.000 2.477 219 K HA 0.159 4.479 4.320 -0.000 0.000 0.208 219 K C 0.920 177.545 176.600 0.042 0.000 1.117 219 K CA -0.305 56.002 56.287 0.033 0.000 1.039 219 K CB 0.768 33.296 32.500 0.046 0.000 0.937 219 K HN 0.133 nan 8.250 nan 0.000 0.570 220 I N 1.459 122.051 120.570 0.036 0.000 2.286 220 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 220 I C 2.312 178.447 176.117 0.031 0.000 1.104 220 I CA 1.519 62.843 61.300 0.040 0.000 1.397 220 I CB -0.536 37.474 38.000 0.017 0.000 1.072 220 I HN 0.136 nan 8.210 nan 0.000 0.417 221 Q N 0.663 120.474 119.800 0.018 0.000 2.172 221 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 221 Q C 2.068 178.078 176.000 0.017 0.000 0.964 221 Q CA 1.203 57.015 55.803 0.014 0.000 0.855 221 Q CB -0.559 28.183 28.738 0.007 0.000 0.918 221 Q HN 0.421 nan 8.270 nan 0.000 0.444 222 L N -0.110 121.124 121.223 0.017 0.000 1.976 222 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 222 L C 2.083 178.964 176.870 0.017 0.000 1.071 222 L CA 1.617 56.468 54.840 0.018 0.000 0.746 222 L CB -0.759 41.311 42.059 0.018 0.000 0.890 222 L HN 0.247 nan 8.230 nan 0.000 0.432 223 I N -0.041 120.542 120.570 0.021 0.000 2.053 223 I HA -0.419 3.751 4.170 -0.000 0.000 0.236 223 I C 2.400 178.528 176.117 0.017 0.000 1.038 223 I CA 1.860 63.170 61.300 0.017 0.000 1.304 223 I CB -0.824 37.210 38.000 0.057 0.000 1.023 223 I HN 0.461 nan 8.210 nan 0.000 0.395 224 N N 1.256 119.975 118.700 0.032 0.000 2.073 224 N HA -0.295 4.444 4.740 -0.000 0.000 0.199 224 N C 1.557 177.077 175.510 0.017 0.000 1.023 224 N CA 2.486 55.552 53.050 0.026 0.000 0.880 224 N CB -0.595 37.907 38.487 0.025 0.000 1.052 224 N HN 0.367 nan 8.380 nan 0.000 0.449 225 N N -0.828 117.883 118.700 0.018 0.000 2.250 225 N HA 0.025 4.765 4.740 -0.000 0.000 0.181 225 N C 1.559 177.083 175.510 0.023 0.000 1.017 225 N CA 0.747 53.810 53.050 0.023 0.000 0.866 225 N CB -0.087 38.416 38.487 0.028 0.000 0.985 225 N HN 0.129 nan 8.380 nan 0.000 0.429 226 M N 0.197 119.803 119.600 0.011 0.000 2.296 226 M HA 0.040 4.519 4.480 -0.000 0.000 0.265 226 M C 1.513 177.776 176.300 -0.061 0.000 1.064 226 M CA 0.778 56.069 55.300 -0.015 0.000 1.109 226 M CB -0.786 31.794 32.600 -0.032 0.000 1.396 226 M HN 0.260 nan 8.290 nan 0.000 0.430 227 L N -0.423 120.774 121.223 -0.043 0.000 2.353 227 L HA -0.191 4.149 4.340 -0.000 0.000 0.220 227 L C 1.411 178.266 176.870 -0.025 0.000 1.133 227 L CA 0.622 55.434 54.840 -0.047 0.000 0.798 227 L CB -0.596 41.450 42.059 -0.022 0.000 0.922 227 L HN 0.230 nan 8.230 nan 0.000 0.445 228 D N -0.024 120.375 120.400 -0.002 0.000 2.355 228 D HA -0.051 4.589 4.640 -0.000 0.000 0.218 228 D C 1.743 178.063 176.300 0.034 0.000 1.004 228 D CA 0.731 54.741 54.000 0.017 0.000 0.880 228 D CB 0.381 41.198 40.800 0.028 0.000 0.911 228 D HN 0.439 nan 8.370 nan 0.000 0.528 229 K N 0.131 120.549 120.400 0.030 0.000 2.424 229 K HA 0.107 4.427 4.320 -0.000 0.000 0.198 229 K C 1.036 177.677 176.600 0.067 0.000 1.190 229 K CA 0.116 56.466 56.287 0.105 0.000 0.935 229 K CB 1.237 33.870 32.500 0.221 0.000 1.087 229 K HN -0.015 nan 8.250 nan 0.000 0.524 230 V N 0.236 120.052 119.914 -0.165 0.000 2.863 230 V HA 0.222 4.342 4.120 -0.000 0.000 0.307 230 V C 0.288 176.290 176.094 -0.155 0.000 1.061 230 V CA -0.464 61.610 62.300 -0.377 0.000 1.024 230 V CB 1.353 32.777 31.823 -0.665 0.000 1.049 230 V HN 0.105 nan 8.190 nan 0.000 0.471 231 N N 0.711 119.338 118.700 -0.121 0.000 2.402 231 N HA 0.168 4.908 4.740 -0.000 0.000 0.174 231 N C 0.003 175.462 175.510 -0.085 0.000 1.027 231 N CA 0.560 53.576 53.050 -0.056 0.000 0.891 231 N CB 0.223 38.711 38.487 0.001 0.000 1.016 231 N HN 0.845 nan 8.380 nan 0.000 0.439 232 E N -0.011 120.109 120.200 -0.135 0.000 2.383 232 E HA 0.415 4.764 4.350 -0.000 0.000 0.275 232 E C -1.327 175.159 176.600 -0.191 0.000 0.918 232 E CA -0.614 55.707 56.400 -0.131 0.000 0.764 232 E CB 2.875 32.517 29.700 -0.097 0.000 1.252 232 E HN -0.052 nan 8.360 nan 0.000 0.449 233 M N 2.668 122.162 119.600 -0.177 0.000 2.322 233 M HA 0.437 4.917 4.480 -0.000 0.000 0.286 233 M C -2.075 174.092 176.300 -0.221 0.000 1.111 233 M CA -0.501 54.673 55.300 -0.211 0.000 0.941 233 M CB 1.475 33.953 32.600 -0.202 0.000 1.671 233 M HN 0.553 nan 8.290 nan 0.000 0.470 234 I N 5.465 125.867 120.570 -0.280 0.000 2.331 234 I HA 0.361 4.531 4.170 -0.000 0.000 0.292 234 I C -0.472 175.447 176.117 -0.330 0.000 0.998 234 I CA -0.588 60.505 61.300 -0.345 0.000 1.267 234 I CB 1.392 39.042 38.000 -0.583 0.000 1.386 234 I HN 0.557 nan 8.210 nan 0.000 0.476 235 I N 6.326 126.713 120.570 -0.305 0.000 2.337 235 I HA 0.403 4.572 4.170 -0.000 0.000 0.285 235 I C 0.602 176.594 176.117 -0.208 0.000 1.041 235 I CA 0.091 61.203 61.300 -0.314 0.000 1.199 235 I CB 0.511 38.177 38.000 -0.557 0.000 1.370 235 I HN 0.622 nan 8.210 nan 0.000 0.470 236 G N 3.186 111.889 108.800 -0.161 0.000 3.016 236 G HA2 0.801 4.760 3.960 -0.000 0.000 0.270 236 G HA3 0.801 4.760 3.960 -0.000 0.000 0.270 236 G C -0.066 174.837 174.900 0.005 0.000 1.352 236 G CA -0.318 44.755 45.100 -0.044 0.000 1.060 236 G HN 0.897 nan 8.290 nan 0.000 0.538 237 G N -1.851 106.994 108.800 0.075 0.000 2.698 237 G HA2 0.317 4.277 3.960 -0.000 0.000 0.225 237 G HA3 0.317 4.277 3.960 -0.000 0.000 0.225 237 G C 1.112 176.076 174.900 0.106 0.000 1.345 237 G CA 0.310 45.477 45.100 0.111 0.000 0.871 237 G HN 1.794 nan 8.290 nan 0.000 0.540 238 G N -0.758 108.155 108.800 0.188 0.000 2.509 238 G HA2 0.100 4.060 3.960 -0.000 0.000 0.218 238 G HA3 0.100 4.060 3.960 -0.000 0.000 0.218 238 G C 1.795 176.859 174.900 0.273 0.000 1.124 238 G CA 1.729 47.026 45.100 0.329 0.000 0.776 238 G HN 0.880 nan 8.290 nan 0.000 0.547 239 M N 0.991 120.680 119.600 0.149 0.000 2.108 239 M HA -0.174 4.306 4.480 -0.000 0.000 0.257 239 M C 2.735 179.144 176.300 0.182 0.000 1.071 239 M CA 1.921 57.310 55.300 0.148 0.000 1.093 239 M CB -0.069 32.587 32.600 0.093 0.000 1.345 239 M HN 0.297 nan 8.290 nan 0.000 0.403 240 A N -0.889 121.934 122.820 0.004 0.000 2.070 240 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 240 A C 1.732 179.328 177.584 0.021 0.000 1.159 240 A CA 1.263 53.276 52.037 -0.040 0.000 0.656 240 A CB -1.147 17.744 19.000 -0.183 0.000 0.800 240 A HN 0.605 nan 8.150 nan 0.000 0.453 241 F N -0.252 119.829 119.950 0.218 0.000 2.325 241 F HA -0.087 4.440 4.527 -0.000 0.000 0.299 241 F C 2.620 178.593 175.800 0.288 0.000 1.090 241 F CA 1.401 59.509 58.000 0.180 0.000 1.392 241 F CB -0.381 38.681 39.000 0.104 0.000 1.053 241 F HN 0.114 nan 8.300 nan 0.000 0.521 242 T N -0.099 114.712 114.554 0.427 0.000 2.770 242 T HA -0.110 4.240 4.350 -0.000 0.000 0.263 242 T C 1.689 176.505 174.700 0.194 0.000 1.039 242 T CA 1.161 63.434 62.100 0.288 0.000 1.142 242 T CB -0.442 68.396 68.868 -0.050 0.000 0.868 242 T HN 0.058 nan 8.240 nan 0.000 0.435 243 F N 1.112 121.136 119.950 0.122 0.000 2.095 243 F HA -0.017 4.510 4.527 -0.000 0.000 0.298 243 F C 2.110 177.980 175.800 0.116 0.000 1.104 243 F CA 1.063 59.118 58.000 0.092 0.000 1.232 243 F CB -0.495 38.533 39.000 0.047 0.000 0.987 243 F HN 0.066 nan 8.300 nan 0.000 0.475 244 L N -0.271 121.142 121.223 0.317 0.000 2.093 244 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 244 L C 2.396 179.385 176.870 0.199 0.000 1.085 244 L CA 1.264 56.248 54.840 0.239 0.000 0.755 244 L CB -0.626 41.579 42.059 0.244 0.000 0.904 244 L HN 0.041 nan 8.230 nan 0.000 0.435 245 K N -0.043 120.490 120.400 0.222 0.000 2.103 245 K HA -0.163 4.156 4.320 -0.000 0.000 0.207 245 K C 1.907 178.570 176.600 0.105 0.000 1.048 245 K CA 1.414 57.776 56.287 0.124 0.000 0.930 245 K CB 0.094 32.620 32.500 0.043 0.000 0.716 245 K HN 0.127 nan 8.250 nan 0.000 0.444 246 V N 1.109 121.111 119.914 0.147 0.000 2.331 246 V HA -0.171 3.949 4.120 -0.000 0.000 0.242 246 V C 2.204 178.343 176.094 0.075 0.000 1.034 246 V CA 1.243 63.600 62.300 0.096 0.000 1.027 246 V CB -0.260 31.599 31.823 0.061 0.000 0.667 246 V HN 0.258 nan 8.190 nan 0.000 0.457 247 L N 0.481 121.763 121.223 0.098 0.000 2.109 247 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 247 L C 1.753 178.673 176.870 0.083 0.000 1.086 247 L CA 1.266 56.162 54.840 0.094 0.000 0.760 247 L CB -0.396 41.741 42.059 0.130 0.000 0.910 247 L HN 0.391 nan 8.230 nan 0.000 0.437 248 N N -0.610 118.147 118.700 0.095 0.000 2.184 248 N HA 0.042 4.782 4.740 -0.000 0.000 0.206 248 N C -0.089 175.461 175.510 0.067 0.000 1.151 248 N CA 0.015 53.115 53.050 0.083 0.000 0.878 248 N CB 0.222 38.771 38.487 0.104 0.000 1.014 248 N HN 0.128 nan 8.380 nan 0.000 0.512 249 N N 0.236 118.971 118.700 0.059 0.000 2.725 249 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 249 N C -0.366 175.164 175.510 0.033 0.000 1.103 249 N CA 0.259 53.330 53.050 0.034 0.000 0.707 249 N CB -1.000 37.500 38.487 0.021 0.000 1.043 249 N HN 0.366 nan 8.380 nan 0.000 0.553 250 M N 1.194 120.832 119.600 0.064 0.000 2.249 250 M HA -0.009 4.471 4.480 -0.000 0.000 0.340 250 M C -0.046 176.266 176.300 0.020 0.000 1.166 250 M CA 0.628 55.972 55.300 0.073 0.000 1.115 250 M CB 0.440 33.124 32.600 0.140 0.000 1.606 250 M HN 0.061 nan 8.290 nan 0.000 0.448 251 E N 5.238 125.444 120.200 0.009 0.000 2.259 251 E HA 0.184 4.534 4.350 -0.000 0.000 0.281 251 E C 0.259 176.829 176.600 -0.051 0.000 1.037 251 E CA -0.119 56.262 56.400 -0.032 0.000 0.854 251 E CB 0.404 30.090 29.700 -0.024 0.000 1.051 251 E HN 0.721 nan 8.360 nan 0.000 0.409 252 I N -0.349 120.156 120.570 -0.109 0.000 4.240 252 I HA 0.409 4.579 4.170 -0.000 0.000 0.331 252 I C 0.972 176.927 176.117 -0.270 0.000 1.381 252 I CA -0.298 60.873 61.300 -0.215 0.000 1.136 252 I CB 0.297 38.196 38.000 -0.169 0.000 1.137 252 I HN 0.670 nan 8.210 nan 0.000 0.411 253 G N 2.681 111.394 108.800 -0.144 0.000 2.574 253 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.286 253 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.286 253 G C 0.652 175.490 174.900 -0.103 0.000 1.212 253 G CA 0.787 45.839 45.100 -0.080 0.000 0.979 253 G HN 0.774 nan 8.290 nan 0.000 0.557 254 T N -1.253 113.255 114.554 -0.077 0.000 3.273 254 T HA 0.589 4.938 4.350 -0.000 0.000 0.254 254 T C 0.987 175.602 174.700 -0.141 0.000 1.002 254 T CA 0.967 63.016 62.100 -0.085 0.000 0.913 254 T CB -0.287 68.552 68.868 -0.049 0.000 1.056 254 T HN 0.898 nan 8.240 nan 0.000 0.576 255 S N 1.443 116.975 115.700 -0.281 0.000 2.572 255 S HA 0.314 4.784 4.470 -0.000 0.000 0.267 255 S C 0.524 174.999 174.600 -0.208 0.000 1.361 255 S CA -0.565 57.358 58.200 -0.461 0.000 1.009 255 S CB 0.164 62.586 63.200 -1.297 0.000 0.888 255 S HN 0.533 nan 8.310 nan 0.000 0.553 256 L N 2.028 123.199 121.223 -0.088 0.000 2.455 256 L HA 0.362 4.702 4.340 -0.000 0.000 0.272 256 L C -0.399 176.597 176.870 0.210 0.000 1.174 256 L CA 0.243 55.120 54.840 0.062 0.000 0.869 256 L CB -0.132 41.974 42.059 0.079 0.000 1.130 256 L HN 0.518 nan 8.230 nan 0.000 0.474 257 F N 2.662 122.617 119.950 0.008 0.000 2.588 257 F HA 0.346 4.873 4.527 -0.000 0.000 0.314 257 F C -1.031 174.775 175.800 0.009 0.000 1.134 257 F CA -0.955 57.062 58.000 0.028 0.000 0.961 257 F CB 1.661 40.665 39.000 0.007 0.000 1.239 257 F HN 0.337 nan 8.300 nan 0.000 0.448 258 D N 4.528 124.485 120.400 -0.739 0.000 2.425 258 D HA 0.172 4.812 4.640 -0.000 0.000 0.240 258 D C 0.654 176.482 176.300 -0.787 0.000 1.080 258 D CA -0.081 53.604 54.000 -0.525 0.000 0.836 258 D CB 1.455 42.077 40.800 -0.296 0.000 1.125 258 D HN 0.797 nan 8.370 nan 0.000 0.525 259 E N 2.534 122.502 120.200 -0.387 0.000 2.153 259 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 259 E C 0.690 177.202 176.600 -0.147 0.000 0.988 259 E CA 0.979 57.294 56.400 -0.140 0.000 0.811 259 E CB 0.477 30.219 29.700 0.070 0.000 0.746 259 E HN 0.464 nan 8.360 nan 0.000 0.466 260 E N -0.479 119.630 120.200 -0.151 0.000 2.076 260 E HA -0.063 4.286 4.350 -0.000 0.000 0.190 260 E C 2.037 178.549 176.600 -0.147 0.000 0.979 260 E CA 0.939 57.271 56.400 -0.114 0.000 0.807 260 E CB -0.477 29.175 29.700 -0.080 0.000 0.761 260 E HN 0.380 nan 8.360 nan 0.000 0.454 261 G N 1.425 110.103 108.800 -0.203 0.000 2.408 261 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.217 261 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.217 261 G C 1.749 176.488 174.900 -0.268 0.000 1.150 261 G CA 1.130 46.105 45.100 -0.208 0.000 0.776 261 G HN 0.364 nan 8.290 nan 0.000 0.542 262 A N 0.887 123.504 122.820 -0.340 0.000 1.986 262 A HA -0.117 4.202 4.320 -0.000 0.000 0.220 262 A C 2.261 179.760 177.584 -0.142 0.000 1.171 262 A CA 2.134 54.022 52.037 -0.248 0.000 0.640 262 A CB -0.370 18.539 19.000 -0.153 0.000 0.811 262 A HN 0.405 nan 8.150 nan 0.000 0.451 263 K N -0.740 119.592 120.400 -0.114 0.000 2.283 263 K HA -0.064 4.256 4.320 -0.000 0.000 0.202 263 K C 1.506 178.057 176.600 -0.082 0.000 1.048 263 K CA 1.368 57.612 56.287 -0.073 0.000 0.948 263 K CB -0.235 32.234 32.500 -0.051 0.000 0.742 263 K HN 0.779 nan 8.250 nan 0.000 0.458 264 I N -3.241 117.261 120.570 -0.114 0.000 3.427 264 I HA -0.019 4.151 4.170 -0.000 0.000 0.288 264 I C 1.491 177.532 176.117 -0.126 0.000 1.249 264 I CA 0.512 61.754 61.300 -0.096 0.000 1.421 264 I CB -0.371 37.585 38.000 -0.073 0.000 1.086 264 I HN -0.273 nan 8.210 nan 0.000 0.448 265 V N 1.832 121.601 119.914 -0.240 0.000 2.317 265 V HA -0.377 3.743 4.120 -0.000 0.000 0.251 265 V C 2.775 178.798 176.094 -0.118 0.000 1.065 265 V CA 2.624 64.711 62.300 -0.356 0.000 1.049 265 V CB -1.019 30.481 31.823 -0.539 0.000 0.651 265 V HN 0.635 nan 8.190 nan 0.000 0.450 266 K N -0.119 120.235 120.400 -0.077 0.000 2.032 266 K HA -0.258 4.062 4.320 -0.000 0.000 0.209 266 K C 1.806 178.406 176.600 0.001 0.000 1.048 266 K CA 2.185 58.459 56.287 -0.021 0.000 0.927 266 K CB -0.266 32.224 32.500 -0.017 0.000 0.712 266 K HN 0.508 nan 8.250 nan 0.000 0.441 267 D N 0.845 121.241 120.400 -0.007 0.000 2.149 267 D HA -0.120 4.519 4.640 -0.000 0.000 0.201 267 D C 2.077 178.393 176.300 0.027 0.000 0.972 267 D CA 0.817 54.822 54.000 0.008 0.000 0.835 267 D CB -0.193 40.607 40.800 0.001 0.000 0.966 267 D HN 0.244 nan 8.370 nan 0.000 0.476 268 L N 0.192 121.440 121.223 0.041 0.000 2.042 268 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 268 L C 2.361 179.294 176.870 0.106 0.000 1.076 268 L CA 0.861 55.755 54.840 0.090 0.000 0.749 268 L CB -0.317 41.844 42.059 0.170 0.000 0.893 268 L HN 0.045 nan 8.230 nan 0.000 0.432 269 M N -1.475 118.193 119.600 0.113 0.000 2.319 269 M HA -0.100 4.380 4.480 -0.000 0.000 0.265 269 M C 2.467 178.801 176.300 0.057 0.000 1.068 269 M CA 1.109 56.471 55.300 0.104 0.000 1.118 269 M CB -1.070 31.600 32.600 0.117 0.000 1.395 269 M HN 0.113 nan 8.290 nan 0.000 0.435 270 S N 0.376 116.102 115.700 0.042 0.000 2.371 270 S HA -0.104 4.366 4.470 -0.000 0.000 0.224 270 S C 1.979 176.594 174.600 0.024 0.000 1.029 270 S CA 1.184 59.401 58.200 0.028 0.000 0.978 270 S CB 0.080 63.292 63.200 0.021 0.000 0.833 270 S HN 0.434 nan 8.310 nan 0.000 0.466 271 K N 0.843 121.259 120.400 0.027 0.000 2.026 271 K HA -0.042 4.278 4.320 -0.000 0.000 0.208 271 K C 2.168 178.777 176.600 0.015 0.000 1.048 271 K CA 1.237 57.536 56.287 0.020 0.000 0.929 271 K CB -0.467 32.046 32.500 0.022 0.000 0.713 271 K HN 0.319 nan 8.250 nan 0.000 0.439 272 A N 1.457 124.288 122.820 0.018 0.000 1.917 272 A HA -0.223 4.096 4.320 -0.000 0.000 0.219 272 A C 2.072 179.658 177.584 0.003 0.000 1.182 272 A CA 1.750 53.790 52.037 0.004 0.000 0.633 272 A CB -0.552 18.451 19.000 0.005 0.000 0.819 272 A HN 0.444 nan 8.150 nan 0.000 0.448 273 E N -0.226 119.981 120.200 0.012 0.000 2.047 273 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 273 E C 2.059 178.664 176.600 0.008 0.000 0.987 273 E CA 1.185 57.592 56.400 0.011 0.000 0.799 273 E CB -0.200 29.510 29.700 0.017 0.000 0.752 273 E HN 0.610 nan 8.360 nan 0.000 0.449 274 K N 0.286 120.692 120.400 0.010 0.000 2.074 274 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 274 K C 1.528 178.132 176.600 0.006 0.000 1.048 274 K CA 1.391 57.683 56.287 0.009 0.000 0.926 274 K CB 0.014 32.520 32.500 0.010 0.000 0.713 274 K HN 0.028 nan 8.250 nan 0.000 0.444 275 N N -0.945 117.758 118.700 0.004 0.000 2.280 275 N HA 0.033 4.773 4.740 -0.000 0.000 0.192 275 N C 0.480 175.988 175.510 -0.003 0.000 1.109 275 N CA 0.889 53.940 53.050 0.001 0.000 0.855 275 N CB 1.198 39.683 38.487 -0.003 0.000 0.974 275 N HN 0.325 nan 8.380 nan 0.000 0.482 276 G N 0.553 109.351 108.800 -0.004 0.000 2.221 276 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.265 276 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.265 276 G C -0.230 174.660 174.900 -0.016 0.000 1.041 276 G CA 0.155 45.251 45.100 -0.006 0.000 0.807 276 G HN 0.168 nan 8.290 nan 0.000 0.502 277 V N 0.857 120.756 119.914 -0.024 0.000 2.406 277 V HA 0.370 4.490 4.120 -0.000 0.000 0.272 277 V C 0.870 176.939 176.094 -0.042 0.000 1.043 277 V CA -0.410 61.863 62.300 -0.045 0.000 0.915 277 V CB 1.578 33.365 31.823 -0.061 0.000 0.988 277 V HN 0.473 nan 8.190 nan 0.000 0.466 278 K N 5.994 126.366 120.400 -0.046 0.000 2.297 278 K HA 0.343 4.662 4.320 -0.000 0.000 0.286 278 K C -0.677 175.885 176.600 -0.064 0.000 1.053 278 K CA -0.535 55.726 56.287 -0.042 0.000 0.940 278 K CB 0.577 33.056 32.500 -0.035 0.000 1.019 278 K HN 0.515 nan 8.250 nan 0.000 0.475 279 I N 4.665 125.201 120.570 -0.057 0.000 2.304 279 I HA 0.090 4.260 4.170 -0.000 0.000 0.291 279 I C -0.163 175.911 176.117 -0.071 0.000 1.018 279 I CA -0.401 60.846 61.300 -0.087 0.000 1.260 279 I CB 1.162 39.110 38.000 -0.086 0.000 1.390 279 I HN 0.620 nan 8.210 nan 0.000 0.475 280 T N 7.868 122.372 114.554 -0.084 0.000 2.762 280 T HA 0.483 4.833 4.350 -0.000 0.000 0.303 280 T C 0.373 175.061 174.700 -0.020 0.000 0.977 280 T CA -0.321 61.760 62.100 -0.031 0.000 0.961 280 T CB 0.523 69.396 68.868 0.007 0.000 0.944 280 T HN 0.274 nan 8.240 nan 0.000 0.481 281 L N 5.565 126.786 121.223 -0.004 0.000 2.399 281 L HA 0.476 4.816 4.340 -0.000 0.000 0.265 281 L C -1.719 175.187 176.870 0.060 0.000 1.089 281 L CA -2.562 52.286 54.840 0.014 0.000 0.802 281 L CB 0.863 42.925 42.059 0.006 0.000 1.180 281 L HN 0.335 nan 8.230 nan 0.000 0.454 282 P HA -0.004 nan 4.420 nan 0.000 0.271 282 P C 0.259 177.429 177.300 -0.217 0.000 1.216 282 P CA -0.106 62.916 63.100 -0.129 0.000 0.776 282 P CB 1.320 32.989 31.700 -0.051 0.000 0.881 283 V N -1.016 118.670 119.914 -0.380 0.000 3.661 283 V HA 0.201 4.321 4.120 -0.000 0.000 0.271 283 V C 0.150 175.898 176.094 -0.575 0.000 1.315 283 V CA 0.580 62.686 62.300 -0.323 0.000 1.072 283 V CB -0.448 31.267 31.823 -0.180 0.000 0.830 283 V HN 0.535 nan 8.190 nan 0.000 0.443 284 D N -0.556 119.275 120.400 -0.948 0.000 2.652 284 D HA 0.629 5.268 4.640 -0.000 0.000 0.285 284 D C -1.092 174.461 176.300 -1.245 0.000 1.173 284 D CA -0.820 52.591 54.000 -0.982 0.000 0.981 284 D CB 1.303 41.891 40.800 -0.353 0.000 1.440 284 D HN 0.110 nan 8.370 nan 0.000 0.485 285 F N -1.235 118.770 119.950 0.092 0.000 2.628 285 F HA 0.449 4.975 4.527 -0.000 0.000 0.309 285 F C -0.680 175.228 175.800 0.180 0.000 1.108 285 F CA -1.282 56.820 58.000 0.170 0.000 0.971 285 F CB 2.342 41.498 39.000 0.261 0.000 1.279 285 F HN 0.086 nan 8.300 nan 0.000 0.441 286 V N 2.027 122.196 119.914 0.425 0.000 2.348 286 V HA 0.403 4.523 4.120 -0.000 0.000 0.270 286 V C 0.155 176.553 176.094 0.507 0.000 1.037 286 V CA -0.541 62.002 62.300 0.406 0.000 0.872 286 V CB 1.044 33.102 31.823 0.392 0.000 1.002 286 V HN 0.875 nan 8.190 nan 0.000 0.464 287 T N 2.536 117.373 114.554 0.471 0.000 2.902 287 T HA 0.863 5.213 4.350 -0.000 0.000 0.280 287 T C -0.191 174.900 174.700 0.652 0.000 0.992 287 T CA -0.417 61.993 62.100 0.516 0.000 1.015 287 T CB 2.042 71.205 68.868 0.491 0.000 1.044 287 T HN 0.995 nan 8.240 nan 0.000 0.520 288 A N 1.196 124.322 122.820 0.511 0.000 2.486 288 A HA 0.575 4.895 4.320 -0.000 0.000 0.300 288 A C 0.450 177.934 177.584 -0.165 0.000 1.048 288 A CA -0.657 51.553 52.037 0.288 0.000 0.696 288 A CB 1.404 20.511 19.000 0.178 0.000 1.278 288 A HN 0.892 nan 8.150 nan 0.000 0.405 289 D N 1.207 121.174 120.400 -0.722 0.000 2.363 289 D HA 0.063 4.702 4.640 -0.000 0.000 0.226 289 D C 0.272 176.267 176.300 -0.508 0.000 1.020 289 D CA 0.767 54.062 54.000 -1.175 0.000 0.892 289 D CB -0.150 39.793 40.800 -1.429 0.000 0.900 289 D HN 0.740 nan 8.370 nan 0.000 0.531 290 K N -2.080 118.170 120.400 -0.250 0.000 2.931 290 K HA 0.141 4.461 4.320 -0.000 0.000 0.292 290 K C -1.775 174.845 176.600 0.034 0.000 1.077 290 K CA -0.957 55.278 56.287 -0.088 0.000 0.829 290 K CB -0.351 32.093 32.500 -0.093 0.000 1.488 290 K HN -0.143 nan 8.250 nan 0.000 0.358 291 F N 2.200 122.137 119.950 -0.023 0.000 2.619 291 F HA 0.321 4.848 4.527 -0.000 0.000 0.350 291 F C -0.892 174.968 175.800 0.100 0.000 1.259 291 F CA 0.495 58.556 58.000 0.101 0.000 1.204 291 F CB 0.103 39.171 39.000 0.112 0.000 1.556 291 F HN 0.647 nan 8.300 nan 0.000 0.650 292 D N 2.186 122.387 120.400 -0.332 0.000 2.927 292 D HA 0.067 4.707 4.640 -0.000 0.000 0.219 292 D C 0.654 176.337 176.300 -1.029 0.000 1.248 292 D CA -0.456 53.126 54.000 -0.698 0.000 0.861 292 D CB 1.448 42.052 40.800 -0.327 0.000 1.677 292 D HN 0.428 nan 8.370 nan 0.000 0.511 293 E N 1.838 120.986 120.200 -1.754 0.000 2.208 293 E HA -0.245 4.105 4.350 -0.000 0.000 0.202 293 E C 0.282 176.632 176.600 -0.416 0.000 1.014 293 E CA 1.391 57.007 56.400 -1.306 0.000 0.819 293 E CB 0.112 29.098 29.700 -1.189 0.000 0.735 293 E HN 0.322 nan 8.360 nan 0.000 0.469 294 N N -0.132 118.364 118.700 -0.340 0.000 2.328 294 N HA 0.192 4.932 4.740 -0.000 0.000 0.247 294 N C -0.901 174.550 175.510 -0.098 0.000 1.165 294 N CA 0.352 53.297 53.050 -0.175 0.000 0.873 294 N CB 1.114 39.500 38.487 -0.168 0.000 1.125 294 N HN 0.115 nan 8.380 nan 0.000 0.513 295 A N 0.899 123.694 122.820 -0.040 0.000 2.425 295 A HA 0.130 4.450 4.320 -0.000 0.000 0.242 295 A C 0.736 178.349 177.584 0.048 0.000 1.077 295 A CA -0.078 51.958 52.037 -0.002 0.000 0.781 295 A CB 0.665 19.693 19.000 0.048 0.000 1.020 295 A HN 0.090 nan 8.150 nan 0.000 0.494 296 K N 1.064 121.465 120.400 0.001 0.000 2.451 296 K HA 0.139 4.459 4.320 -0.000 0.000 0.280 296 K C 0.565 177.318 176.600 0.255 0.000 1.020 296 K CA 0.669 57.014 56.287 0.097 0.000 1.008 296 K CB 0.243 32.801 32.500 0.096 0.000 0.917 296 K HN 0.885 nan 8.250 nan 0.000 0.478 297 T N -0.456 114.290 114.554 0.319 0.000 2.934 297 T HA 0.680 5.029 4.350 -0.000 0.000 0.283 297 T C 0.417 175.415 174.700 0.497 0.000 1.005 297 T CA -0.863 61.487 62.100 0.416 0.000 1.041 297 T CB 1.916 70.897 68.868 0.189 0.000 1.042 297 T HN 0.597 nan 8.240 nan 0.000 0.505 298 G N -0.151 108.903 108.800 0.424 0.000 2.788 298 G HA2 0.588 4.548 3.960 -0.000 0.000 0.293 298 G HA3 0.588 4.548 3.960 -0.000 0.000 0.293 298 G C -1.838 173.138 174.900 0.126 0.000 1.392 298 G CA -0.964 44.204 45.100 0.114 0.000 0.810 298 G HN 0.963 nan 8.290 nan 0.000 0.508 299 Q N -0.724 119.095 119.800 0.032 0.000 2.365 299 Q HA 0.739 5.079 4.340 -0.000 0.000 0.269 299 Q C -1.142 174.900 176.000 0.070 0.000 1.061 299 Q CA -0.940 54.906 55.803 0.071 0.000 0.816 299 Q CB 2.181 30.937 28.738 0.030 0.000 1.325 299 Q HN 1.129 nan 8.270 nan 0.000 0.446 300 A N 1.644 124.562 122.820 0.164 0.000 2.594 300 A HA 0.730 5.050 4.320 -0.000 0.000 0.295 300 A C -0.724 177.007 177.584 0.245 0.000 1.071 300 A CA -0.328 51.836 52.037 0.211 0.000 0.685 300 A CB 1.827 21.003 19.000 0.294 0.000 1.285 300 A HN 0.839 nan 8.150 nan 0.000 0.405 301 T N -1.593 113.077 114.554 0.193 0.000 2.938 301 T HA 0.554 4.904 4.350 -0.000 0.000 0.285 301 T C 1.103 175.992 174.700 0.314 0.000 1.028 301 T CA 0.036 62.230 62.100 0.157 0.000 1.005 301 T CB 0.761 69.655 68.868 0.044 0.000 1.157 301 T HN 0.753 nan 8.240 nan 0.000 0.550 302 V N 1.320 121.402 119.914 0.279 0.000 2.255 302 V HA -0.145 3.975 4.120 -0.000 0.000 0.247 302 V C 3.203 179.393 176.094 0.161 0.000 1.051 302 V CA 2.533 65.002 62.300 0.281 0.000 1.018 302 V CB -1.693 30.243 31.823 0.189 0.000 0.641 302 V HN 1.077 nan 8.190 nan 0.000 0.445 303 A N 0.657 123.538 122.820 0.102 0.000 1.908 303 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 303 A C 2.534 180.153 177.584 0.058 0.000 1.181 303 A CA 2.650 54.726 52.037 0.065 0.000 0.627 303 A CB -0.791 18.233 19.000 0.040 0.000 0.818 303 A HN 0.722 nan 8.150 nan 0.000 0.445 304 S N -1.536 114.205 115.700 0.068 0.000 2.436 304 S HA 0.384 4.854 4.470 -0.000 0.000 0.228 304 S C 1.258 175.885 174.600 0.045 0.000 1.014 304 S CA 1.148 59.375 58.200 0.045 0.000 0.950 304 S CB -0.898 62.324 63.200 0.037 0.000 0.784 304 S HN 2.186 nan 8.310 nan 0.000 0.504 305 G N 0.587 109.436 108.800 0.081 0.000 2.795 305 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.664 305 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.664 305 G C -0.742 174.187 174.900 0.049 0.000 1.381 305 G CA -0.352 44.784 45.100 0.061 0.000 0.853 305 G HN 0.584 nan 8.290 nan 0.000 0.545 306 I N 2.891 123.461 120.570 0.001 0.000 2.354 306 I HA 0.360 4.530 4.170 -0.000 0.000 0.292 306 I C -1.464 174.643 176.117 -0.017 0.000 0.989 306 I CA -2.086 59.203 61.300 -0.018 0.000 1.188 306 I CB 2.133 40.084 38.000 -0.082 0.000 1.342 306 I HN 0.417 nan 8.210 nan 0.000 0.457 307 P HA 0.119 nan 4.420 nan 0.000 0.272 307 P C -0.612 176.746 177.300 0.097 0.000 1.240 307 P CA -0.450 62.639 63.100 -0.017 0.000 0.791 307 P CB 0.621 32.244 31.700 -0.129 0.000 0.978 308 A N 0.445 123.320 122.820 0.092 0.000 2.520 308 A HA 0.423 4.743 4.320 -0.000 0.000 0.245 308 A C 1.446 179.158 177.584 0.212 0.000 1.072 308 A CA 0.836 52.936 52.037 0.106 0.000 0.761 308 A CB -1.474 17.562 19.000 0.061 0.000 1.004 308 A HN 0.892 nan 8.150 nan 0.000 0.499 309 G N 0.845 109.732 108.800 0.144 0.000 2.258 309 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.233 309 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.233 309 G C 0.012 174.918 174.900 0.010 0.000 1.006 309 G CA 0.265 45.415 45.100 0.083 0.000 0.620 309 G HN 0.760 nan 8.290 nan 0.000 0.511 310 W N 1.064 122.351 121.300 -0.022 0.000 2.367 310 W HA 0.840 5.500 4.660 -0.000 0.000 0.369 310 W C 0.798 177.275 176.519 -0.069 0.000 1.276 310 W CA -0.251 57.085 57.345 -0.015 0.000 1.415 310 W CB 0.691 30.156 29.460 0.008 0.000 1.306 310 W HN 0.429 nan 8.180 nan 0.000 0.669 311 M N 0.733 120.435 119.600 0.171 0.000 2.426 311 M HA 0.574 5.054 4.480 -0.000 0.000 0.289 311 M C -0.563 175.757 176.300 0.034 0.000 1.168 311 M CA -0.771 54.507 55.300 -0.037 0.000 0.933 311 M CB 1.481 34.047 32.600 -0.056 0.000 1.750 311 M HN 0.508 nan 8.290 nan 0.000 0.494 312 G N 2.969 111.707 108.800 -0.103 0.000 2.358 312 G HA2 0.537 4.496 3.960 -0.000 0.000 0.273 312 G HA3 0.537 4.496 3.960 -0.000 0.000 0.273 312 G C -0.004 175.090 174.900 0.322 0.000 1.215 312 G CA -0.633 44.624 45.100 0.261 0.000 0.910 312 G HN 0.818 nan 8.290 nan 0.000 0.467 313 L N 1.249 122.653 121.223 0.301 0.000 2.817 313 L HA 0.345 4.685 4.340 -0.000 0.000 0.248 313 L C 0.186 177.260 176.870 0.340 0.000 1.133 313 L CA 0.040 54.981 54.840 0.168 0.000 0.935 313 L CB 0.549 42.358 42.059 -0.417 0.000 1.266 313 L HN 0.430 nan 8.230 nan 0.000 0.535 314 D N -0.997 119.680 120.400 0.462 0.000 2.615 314 D HA 0.305 4.945 4.640 -0.000 0.000 0.267 314 D C -0.741 175.782 176.300 0.372 0.000 1.236 314 D CA -0.457 53.788 54.000 0.408 0.000 0.839 314 D CB 1.918 42.969 40.800 0.420 0.000 1.380 314 D HN 0.050 nan 8.370 nan 0.000 0.433 315 C N 0.155 119.598 119.300 0.239 0.000 2.480 315 C HA 1.021 5.480 4.460 -0.000 0.000 0.358 315 C C 1.058 176.055 174.990 0.012 0.000 1.309 315 C CA -0.224 58.831 59.018 0.062 0.000 2.465 315 C CB 0.213 27.892 27.740 -0.103 0.000 2.379 315 C HN 0.493 nan 8.230 nan 0.000 0.642 316 G N -0.184 108.539 108.800 -0.129 0.000 2.705 316 G HA2 0.641 4.601 3.960 -0.000 0.000 0.299 316 G HA3 0.641 4.601 3.960 -0.000 0.000 0.299 316 G C -1.683 173.127 174.900 -0.151 0.000 1.315 316 G CA -0.893 44.152 45.100 -0.091 0.000 1.045 316 G HN 0.528 nan 8.290 nan 0.000 0.517 317 P HA -0.164 nan 4.420 nan 0.000 0.216 317 P C 1.180 178.392 177.300 -0.147 0.000 1.150 317 P CA 1.281 64.319 63.100 -0.103 0.000 0.843 317 P CB 0.409 32.070 31.700 -0.065 0.000 0.787 318 E N 0.182 120.282 120.200 -0.167 0.000 2.106 318 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 318 E C 2.133 178.579 176.600 -0.258 0.000 0.984 318 E CA 1.384 57.677 56.400 -0.179 0.000 0.806 318 E CB -0.806 28.798 29.700 -0.160 0.000 0.750 318 E HN 0.131 nan 8.360 nan 0.000 0.458 319 S N -0.449 115.024 115.700 -0.377 0.000 2.371 319 S HA -0.061 4.409 4.470 -0.000 0.000 0.224 319 S C 2.092 176.226 174.600 -0.775 0.000 1.029 319 S CA 0.886 58.712 58.200 -0.623 0.000 0.978 319 S CB -0.242 62.505 63.200 -0.755 0.000 0.833 319 S HN 0.178 nan 8.310 nan 0.000 0.466 320 S N 1.767 117.171 115.700 -0.494 0.000 2.387 320 S HA -0.131 4.339 4.470 -0.000 0.000 0.230 320 S C 1.850 176.348 174.600 -0.171 0.000 1.035 320 S CA 1.239 59.267 58.200 -0.286 0.000 1.014 320 S CB -0.207 62.918 63.200 -0.124 0.000 0.836 320 S HN 0.494 nan 8.310 nan 0.000 0.466 321 K N 1.031 121.333 120.400 -0.163 0.000 2.026 321 K HA -0.044 4.275 4.320 -0.000 0.000 0.208 321 K C 2.202 178.754 176.600 -0.079 0.000 1.048 321 K CA 1.047 57.276 56.287 -0.096 0.000 0.929 321 K CB -0.137 32.311 32.500 -0.086 0.000 0.713 321 K HN 0.238 nan 8.250 nan 0.000 0.439 322 K N -0.073 120.253 120.400 -0.123 0.000 2.097 322 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 322 K C 2.144 178.783 176.600 0.066 0.000 1.049 322 K CA 1.280 57.534 56.287 -0.056 0.000 0.933 322 K CB -0.126 32.321 32.500 -0.088 0.000 0.717 322 K HN 0.126 nan 8.250 nan 0.000 0.442 323 Y N 0.717 120.947 120.300 -0.117 0.000 2.145 323 Y HA -0.148 4.402 4.550 -0.000 0.000 0.286 323 Y C 2.531 178.350 175.900 -0.134 0.000 1.145 323 Y CA 0.504 58.515 58.100 -0.149 0.000 1.148 323 Y CB -1.197 37.155 38.460 -0.180 0.000 0.981 323 Y HN 0.051 nan 8.280 nan 0.000 0.507 324 A N 0.223 123.086 122.820 0.072 0.000 1.892 324 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 324 A C 2.187 179.769 177.584 -0.003 0.000 1.188 324 A CA 2.092 54.136 52.037 0.010 0.000 0.631 324 A CB -0.813 18.186 19.000 -0.002 0.000 0.822 324 A HN 0.529 nan 8.150 nan 0.000 0.447 325 E N -0.574 119.626 120.200 -0.001 0.000 2.110 325 E HA -0.082 4.267 4.350 -0.000 0.000 0.193 325 E C 2.299 178.890 176.600 -0.014 0.000 0.988 325 E CA 0.877 57.271 56.400 -0.009 0.000 0.804 325 E CB -0.270 29.422 29.700 -0.012 0.000 0.745 325 E HN 0.642 nan 8.360 nan 0.000 0.458 326 A N 0.661 123.471 122.820 -0.017 0.000 1.933 326 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 326 A C 2.438 179.996 177.584 -0.044 0.000 1.175 326 A CA 1.095 53.108 52.037 -0.040 0.000 0.628 326 A CB -0.516 18.442 19.000 -0.070 0.000 0.814 326 A HN 0.127 nan 8.150 nan 0.000 0.444 327 V N -0.490 119.395 119.914 -0.049 0.000 2.358 327 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 327 V C 2.688 178.770 176.094 -0.020 0.000 1.047 327 V CA 2.363 64.635 62.300 -0.047 0.000 1.035 327 V CB -1.070 30.718 31.823 -0.059 0.000 0.658 327 V HN 0.585 nan 8.190 nan 0.000 0.452 328 T N -0.377 114.168 114.554 -0.015 0.000 2.881 328 T HA -0.165 4.185 4.350 -0.000 0.000 0.270 328 T C 2.021 176.719 174.700 -0.004 0.000 1.068 328 T CA 1.249 63.344 62.100 -0.007 0.000 1.131 328 T CB -0.198 68.666 68.868 -0.007 0.000 0.871 328 T HN 0.442 nan 8.240 nan 0.000 0.479 329 R N 0.970 121.466 120.500 -0.006 0.000 2.119 329 R HA 0.251 4.591 4.340 -0.000 0.000 0.222 329 R C 1.275 177.580 176.300 0.008 0.000 1.088 329 R CA 0.329 56.428 56.100 -0.001 0.000 0.984 329 R CB -0.147 30.149 30.300 -0.006 0.000 0.884 329 R HN 0.264 nan 8.270 nan 0.000 0.447 330 A N 1.637 124.463 122.820 0.010 0.000 2.477 330 A HA 0.051 4.371 4.320 -0.000 0.000 0.246 330 A C 0.448 178.052 177.584 0.034 0.000 1.078 330 A CA 0.172 52.228 52.037 0.033 0.000 0.770 330 A CB 0.398 19.420 19.000 0.036 0.000 1.011 330 A HN 0.215 nan 8.150 nan 0.000 0.494 331 K N 0.254 120.681 120.400 0.045 0.000 2.358 331 K HA 0.126 4.446 4.320 -0.000 0.000 0.200 331 K C 0.346 176.960 176.600 0.022 0.000 1.030 331 K CA 0.279 56.582 56.287 0.027 0.000 1.097 331 K CB 0.585 33.095 32.500 0.017 0.000 0.862 331 K HN 0.821 nan 8.250 nan 0.000 0.534 332 Q N 0.947 120.782 119.800 0.058 0.000 2.377 332 Q HA 0.452 4.791 4.340 -0.000 0.000 0.279 332 Q C -1.780 174.331 176.000 0.185 0.000 1.049 332 Q CA -0.606 55.223 55.803 0.044 0.000 0.825 332 Q CB 1.916 30.588 28.738 -0.109 0.000 1.401 332 Q HN 0.024 nan 8.270 nan 0.000 0.404 333 I N 2.785 123.451 120.570 0.160 0.000 2.607 333 I HA 0.440 4.610 4.170 -0.000 0.000 0.290 333 I C -1.062 175.198 176.117 0.239 0.000 1.129 333 I CA -1.011 60.413 61.300 0.206 0.000 1.042 333 I CB 2.262 40.325 38.000 0.105 0.000 1.242 333 I HN 0.361 nan 8.210 nan 0.000 0.421 334 V N 5.022 125.137 119.914 0.335 0.000 2.487 334 V HA 0.429 4.548 4.120 -0.000 0.000 0.298 334 V C -1.364 174.907 176.094 0.295 0.000 1.028 334 V CA -0.386 62.099 62.300 0.309 0.000 0.860 334 V CB 2.385 34.455 31.823 0.411 0.000 0.991 334 V HN 0.676 nan 8.190 nan 0.000 0.427 335 W N 6.227 127.558 121.300 0.052 0.000 2.619 335 W HA 0.581 5.241 4.660 -0.000 0.000 0.327 335 W C -0.940 175.585 176.519 0.009 0.000 1.027 335 W CA -1.241 56.100 57.345 -0.007 0.000 1.233 335 W CB 1.361 30.791 29.460 -0.051 0.000 1.370 335 W HN 0.523 nan 8.180 nan 0.000 0.453 336 N N 3.892 122.818 118.700 0.376 0.000 2.500 336 N HA 0.513 5.253 4.740 -0.000 0.000 0.291 336 N C -0.634 174.968 175.510 0.154 0.000 1.092 336 N CA 0.427 53.560 53.050 0.139 0.000 0.890 336 N CB 1.807 40.373 38.487 0.132 0.000 1.466 336 N HN 0.800 nan 8.380 nan 0.000 0.507 337 G N 3.406 112.225 108.800 0.031 0.000 3.067 337 G HA2 -0.123 3.836 3.960 -0.000 0.000 0.686 337 G HA3 -0.123 3.836 3.960 -0.000 0.000 0.686 337 G C -3.233 171.747 174.900 0.134 0.000 1.119 337 G CA -1.041 44.102 45.100 0.071 0.000 0.790 337 G HN 0.370 nan 8.290 nan 0.000 0.605 338 P HA 0.359 nan 4.420 nan 0.000 0.274 338 P C 1.208 178.613 177.300 0.175 0.000 1.231 338 P CA 0.260 63.385 63.100 0.042 0.000 0.790 338 P CB 1.321 32.991 31.700 -0.050 0.000 0.951 339 V N -1.586 118.457 119.914 0.215 0.000 3.608 339 V HA 0.474 4.593 4.120 -0.000 0.000 0.269 339 V C 0.763 176.996 176.094 0.231 0.000 1.245 339 V CA 0.790 63.207 62.300 0.196 0.000 1.138 339 V CB -0.587 31.356 31.823 0.198 0.000 0.841 339 V HN 0.731 nan 8.190 nan 0.000 0.451 340 G N -0.740 108.206 108.800 0.243 0.000 2.608 340 G HA2 0.485 4.445 3.960 -0.000 0.000 0.291 340 G HA3 0.485 4.445 3.960 -0.000 0.000 0.291 340 G C -1.265 173.799 174.900 0.274 0.000 1.425 340 G CA -0.269 44.996 45.100 0.276 0.000 0.787 340 G HN 0.157 nan 8.290 nan 0.000 0.484 341 V N 2.304 122.352 119.914 0.224 0.000 2.287 341 V HA 0.150 4.270 4.120 -0.000 0.000 0.246 341 V C 1.299 177.493 176.094 0.167 0.000 1.165 341 V CA 0.150 62.487 62.300 0.062 0.000 1.088 341 V CB -1.233 30.401 31.823 -0.315 0.000 1.242 341 V HN 0.663 nan 8.190 nan 0.000 0.497 342 F N 1.339 121.302 119.950 0.021 0.000 2.407 342 F HA 0.003 4.529 4.527 -0.001 0.000 0.299 342 F C 1.721 177.555 175.800 0.056 0.000 1.097 342 F CA 0.557 58.604 58.000 0.078 0.000 1.422 342 F CB -0.153 38.897 39.000 0.083 0.000 1.067 342 F HN 0.363 nan 8.300 nan 0.000 0.539 343 E N 0.319 120.198 120.200 -0.536 0.000 2.219 343 E HA -0.159 4.190 4.350 -0.000 0.000 0.198 343 E C -0.282 176.362 176.600 0.074 0.000 0.998 343 E CA 1.187 57.338 56.400 -0.415 0.000 0.818 343 E CB -0.212 29.192 29.700 -0.494 0.000 0.741 343 E HN 0.441 nan 8.360 nan 0.000 0.477 344 W N 0.530 121.847 121.300 0.030 0.000 2.417 344 W HA 0.324 4.983 4.660 -0.000 0.000 0.315 344 W C 1.157 177.742 176.519 0.110 0.000 1.045 344 W CA -1.552 55.854 57.345 0.102 0.000 1.221 344 W CB 0.660 30.271 29.460 0.252 0.000 1.309 344 W HN -0.019 nan 8.180 nan 0.000 0.453 345 E N 2.342 122.680 120.200 0.230 0.000 2.097 345 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 345 E C 1.946 178.549 176.600 0.005 0.000 1.000 345 E CA 1.930 58.391 56.400 0.103 0.000 0.804 345 E CB 0.279 30.004 29.700 0.042 0.000 0.740 345 E HN 0.506 nan 8.360 nan 0.000 0.454 346 A N -0.086 122.629 122.820 -0.175 0.000 2.076 346 A HA -0.139 4.180 4.320 -0.000 0.000 0.220 346 A C 1.169 178.364 177.584 -0.648 0.000 1.160 346 A CA 1.076 52.776 52.037 -0.562 0.000 0.653 346 A CB -0.377 18.035 19.000 -0.980 0.000 0.801 346 A HN 0.305 nan 8.150 nan 0.000 0.455 347 F N -2.332 117.753 119.950 0.225 0.000 2.805 347 F HA 0.520 5.047 4.527 -0.000 0.000 0.317 347 F C 1.413 177.349 175.800 0.227 0.000 1.146 347 F CA 0.282 58.423 58.000 0.234 0.000 1.265 347 F CB 0.431 39.596 39.000 0.275 0.000 0.992 347 F HN 0.145 nan 8.300 nan 0.000 0.511 348 A N -0.302 122.693 122.820 0.292 0.000 2.382 348 A HA 0.222 4.541 4.320 -0.000 0.000 0.228 348 A C 2.050 179.768 177.584 0.223 0.000 1.217 348 A CA -0.108 52.103 52.037 0.291 0.000 0.923 348 A CB -0.063 19.103 19.000 0.277 0.000 0.979 348 A HN 0.243 nan 8.150 nan 0.000 0.515 349 R N -0.087 120.513 120.500 0.168 0.000 2.120 349 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 349 R C 2.277 178.660 176.300 0.138 0.000 1.123 349 R CA 1.137 57.314 56.100 0.128 0.000 0.975 349 R CB -0.332 30.019 30.300 0.085 0.000 0.866 349 R HN 0.503 nan 8.270 nan 0.000 0.446 350 G N 0.311 109.211 108.800 0.167 0.000 2.459 350 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.217 350 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.217 350 G C 1.339 176.356 174.900 0.195 0.000 1.183 350 G CA 1.417 46.617 45.100 0.167 0.000 0.776 350 G HN 0.252 nan 8.290 nan 0.000 0.552 351 T N 0.816 115.510 114.554 0.234 0.000 2.746 351 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 351 T C 2.314 177.171 174.700 0.261 0.000 1.039 351 T CA 1.520 63.784 62.100 0.273 0.000 1.142 351 T CB -0.160 68.824 68.868 0.194 0.000 0.866 351 T HN 0.316 nan 8.240 nan 0.000 0.444 352 K N 1.247 121.766 120.400 0.200 0.000 1.991 352 K HA -0.039 4.281 4.320 -0.000 0.000 0.212 352 K C 2.763 179.443 176.600 0.133 0.000 1.049 352 K CA 1.341 57.723 56.287 0.159 0.000 0.932 352 K CB -0.445 32.135 32.500 0.133 0.000 0.717 352 K HN 0.286 nan 8.250 nan 0.000 0.441 353 A N 1.530 124.417 122.820 0.111 0.000 1.873 353 A HA -0.208 4.111 4.320 -0.000 0.000 0.218 353 A C 2.146 179.777 177.584 0.078 0.000 1.193 353 A CA 1.523 53.606 52.037 0.078 0.000 0.629 353 A CB -0.736 18.297 19.000 0.055 0.000 0.826 353 A HN 0.253 nan 8.150 nan 0.000 0.447 354 L N -1.321 119.956 121.223 0.091 0.000 2.042 354 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 354 L C 2.476 179.390 176.870 0.074 0.000 1.076 354 L CA 2.728 57.570 54.840 0.004 0.000 0.749 354 L CB -0.572 41.396 42.059 -0.151 0.000 0.893 354 L HN 0.493 nan 8.230 nan 0.000 0.432 355 M N -0.647 119.111 119.600 0.263 0.000 2.175 355 M HA -0.164 4.316 4.480 -0.000 0.000 0.264 355 M C 1.641 178.037 176.300 0.160 0.000 1.063 355 M CA 1.638 57.127 55.300 0.315 0.000 1.119 355 M CB -0.521 32.229 32.600 0.250 0.000 1.377 355 M HN 0.263 nan 8.290 nan 0.000 0.415 356 D N 0.099 120.565 120.400 0.110 0.000 2.117 356 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 356 D C 1.917 178.249 176.300 0.052 0.000 0.987 356 D CA 1.254 55.295 54.000 0.069 0.000 0.829 356 D CB -0.434 40.399 40.800 0.055 0.000 0.961 356 D HN 0.428 nan 8.370 nan 0.000 0.460 357 E N 0.568 120.794 120.200 0.043 0.000 2.058 357 E HA -0.101 4.248 4.350 -0.000 0.000 0.194 357 E C 2.446 179.060 176.600 0.023 0.000 0.997 357 E CA 0.434 56.846 56.400 0.019 0.000 0.801 357 E CB -0.424 29.272 29.700 -0.006 0.000 0.746 357 E HN 0.184 nan 8.360 nan 0.000 0.450 358 V N 1.142 121.084 119.914 0.047 0.000 2.515 358 V HA -0.163 3.957 4.120 -0.000 0.000 0.250 358 V C 2.493 178.626 176.094 0.065 0.000 1.058 358 V CA 0.972 63.315 62.300 0.071 0.000 1.064 358 V CB -0.277 31.650 31.823 0.173 0.000 0.675 358 V HN 0.051 nan 8.190 nan 0.000 0.461 359 V N -0.640 119.313 119.914 0.065 0.000 2.453 359 V HA -0.153 3.967 4.120 -0.000 0.000 0.247 359 V C 2.576 178.687 176.094 0.028 0.000 1.048 359 V CA 1.454 63.780 62.300 0.042 0.000 1.049 359 V CB -0.572 31.277 31.823 0.043 0.000 0.672 359 V HN 0.422 nan 8.190 nan 0.000 0.457 360 K N 0.402 120.818 120.400 0.026 0.000 2.147 360 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 360 K C 2.185 178.794 176.600 0.014 0.000 1.049 360 K CA 1.540 57.838 56.287 0.017 0.000 0.936 360 K CB -0.530 31.978 32.500 0.015 0.000 0.722 360 K HN 0.489 nan 8.250 nan 0.000 0.446 361 A N 0.468 123.297 122.820 0.016 0.000 1.970 361 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 361 A C 2.215 179.806 177.584 0.013 0.000 1.170 361 A CA 1.651 53.696 52.037 0.013 0.000 0.645 361 A CB -0.615 18.392 19.000 0.013 0.000 0.816 361 A HN 0.280 nan 8.150 nan 0.000 0.447 362 T N 0.339 114.902 114.554 0.015 0.000 2.708 362 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 362 T C 2.201 176.906 174.700 0.008 0.000 1.037 362 T CA 1.723 63.829 62.100 0.011 0.000 1.146 362 T CB -0.430 68.443 68.868 0.008 0.000 0.865 362 T HN 0.448 nan 8.240 nan 0.000 0.435 363 S N 1.763 117.468 115.700 0.009 0.000 2.380 363 S HA -0.186 4.284 4.470 -0.000 0.000 0.229 363 S C 1.808 176.411 174.600 0.006 0.000 1.043 363 S CA 1.473 59.677 58.200 0.007 0.000 1.038 363 S CB -0.290 62.915 63.200 0.008 0.000 0.872 363 S HN 0.707 nan 8.310 nan 0.000 0.456 364 R N 0.610 121.113 120.500 0.006 0.000 2.480 364 R HA 0.453 4.793 4.340 -0.000 0.000 0.277 364 R C 0.975 177.277 176.300 0.004 0.000 1.008 364 R CA 0.512 56.614 56.100 0.004 0.000 1.090 364 R CB -0.374 29.928 30.300 0.004 0.000 1.234 364 R HN 0.266 nan 8.270 nan 0.000 0.549 365 G N 0.148 108.950 108.800 0.004 0.000 2.141 365 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.231 365 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.231 365 G C 0.089 174.991 174.900 0.004 0.000 0.984 365 G CA -0.124 44.978 45.100 0.003 0.000 0.660 365 G HN 0.477 nan 8.290 nan 0.000 0.525 366 C N 1.883 121.188 119.300 0.007 0.000 2.637 366 C HA 0.578 5.038 4.460 -0.000 0.000 0.418 366 C C 1.035 176.030 174.990 0.007 0.000 1.319 366 C CA -1.057 57.967 59.018 0.009 0.000 1.949 366 C CB -0.714 27.035 27.740 0.016 0.000 2.639 366 C HN 0.369 nan 8.230 nan 0.000 0.594 367 I N 6.706 127.277 120.570 0.001 0.000 2.347 367 I HA 0.206 4.376 4.170 -0.000 0.000 0.294 367 I C 0.960 177.073 176.117 -0.006 0.000 1.090 367 I CA 0.462 61.761 61.300 -0.002 0.000 1.314 367 I CB -0.152 37.838 38.000 -0.017 0.000 1.423 367 I HN 0.797 nan 8.210 nan 0.000 0.503 368 T N 5.172 119.717 114.554 -0.015 0.000 2.770 368 T HA 0.781 5.131 4.350 -0.000 0.000 0.283 368 T C -0.365 174.298 174.700 -0.063 0.000 0.988 368 T CA -0.591 61.508 62.100 -0.002 0.000 0.957 368 T CB 1.225 70.109 68.868 0.026 0.000 0.930 368 T HN 0.255 nan 8.240 nan 0.000 0.443 369 I N 4.304 124.850 120.570 -0.040 0.000 2.406 369 I HA 0.500 4.670 4.170 -0.000 0.000 0.290 369 I C -0.359 175.752 176.117 -0.011 0.000 0.999 369 I CA -0.969 60.266 61.300 -0.110 0.000 1.124 369 I CB 1.563 39.436 38.000 -0.212 0.000 1.289 369 I HN 0.527 nan 8.210 nan 0.000 0.441 370 I N 4.290 124.805 120.570 -0.091 0.000 2.646 370 I HA 0.599 4.769 4.170 -0.000 0.000 0.299 370 I C 0.490 176.526 176.117 -0.135 0.000 1.036 370 I CA -0.283 60.938 61.300 -0.132 0.000 1.074 370 I CB 2.065 39.940 38.000 -0.208 0.000 1.258 370 I HN 0.656 nan 8.210 nan 0.000 0.430 371 G N 2.533 111.239 108.800 -0.155 0.000 3.107 371 G HA2 0.759 4.719 3.960 -0.000 0.000 0.232 371 G HA3 0.759 4.719 3.960 -0.000 0.000 0.232 371 G C -0.500 174.329 174.900 -0.120 0.000 1.339 371 G CA -0.554 44.514 45.100 -0.054 0.000 1.033 371 G HN 0.752 nan 8.290 nan 0.000 0.567 386 D N 0.961 121.343 120.400 -0.030 0.000 2.323 386 D HA -0.004 4.636 4.640 -0.000 0.000 0.239 386 D C 1.052 177.339 176.300 -0.021 0.000 1.129 386 D CA 0.277 54.260 54.000 -0.028 0.000 0.865 386 D CB 0.196 40.987 40.800 -0.016 0.000 0.913 386 D HN -0.080 nan 8.370 nan 0.000 0.517 387 K N 0.202 120.590 120.400 -0.021 0.000 2.353 387 K HA 0.156 4.476 4.320 -0.000 0.000 0.195 387 K C 0.493 177.085 176.600 -0.012 0.000 1.031 387 K CA 0.092 56.373 56.287 -0.009 0.000 1.079 387 K CB 1.343 33.844 32.500 0.002 0.000 0.857 387 K HN 0.312 nan 8.250 nan 0.000 0.535 388 V N -3.094 116.800 119.914 -0.033 0.000 3.113 388 V HA 0.386 4.506 4.120 -0.000 0.000 0.316 388 V C 1.336 177.382 176.094 -0.081 0.000 1.125 388 V CA -0.727 61.546 62.300 -0.045 0.000 1.026 388 V CB 1.794 33.589 31.823 -0.047 0.000 1.080 388 V HN -0.121 nan 8.190 nan 0.000 0.444 389 S N 0.214 115.853 115.700 -0.102 0.000 2.348 389 S HA -0.099 4.370 4.470 -0.000 0.000 0.221 389 S C 0.521 174.909 174.600 -0.353 0.000 1.033 389 S CA 2.239 60.343 58.200 -0.161 0.000 1.010 389 S CB -0.436 62.685 63.200 -0.130 0.000 0.891 389 S HN 1.088 nan 8.310 nan 0.000 0.442 390 H N -0.335 118.399 119.070 -0.559 0.000 3.017 390 H HA 0.495 5.051 4.556 -0.001 0.000 0.340 390 H C -1.640 173.469 175.328 -0.366 0.000 1.014 390 H CA -0.575 55.071 56.048 -0.670 0.000 1.341 390 H CB 0.960 29.905 29.762 -1.362 0.000 1.739 390 H HN -0.080 nan 8.280 nan 0.000 0.506 391 V N 4.524 124.079 119.914 -0.598 0.000 2.364 391 V HA 0.289 4.409 4.120 -0.000 0.000 0.272 391 V C 0.662 176.341 176.094 -0.692 0.000 1.036 391 V CA -0.501 61.510 62.300 -0.482 0.000 0.880 391 V CB 0.872 32.536 31.823 -0.266 0.000 0.991 391 V HN 0.844 nan 8.190 nan 0.000 0.460 392 S N 3.397 118.806 115.700 -0.485 0.000 2.592 392 S HA 0.213 4.683 4.470 -0.000 0.000 0.271 392 S C 1.331 175.927 174.600 -0.007 0.000 1.326 392 S CA 0.216 58.297 58.200 -0.198 0.000 1.024 392 S CB 1.252 64.652 63.200 0.333 0.000 0.921 392 S HN 1.007 nan 8.310 nan 0.000 0.527 393 T N 0.925 115.563 114.554 0.140 0.000 3.060 393 T HA 0.317 4.666 4.350 -0.000 0.000 0.249 393 T C 0.749 175.607 174.700 0.264 0.000 1.079 393 T CA 0.147 62.356 62.100 0.181 0.000 1.013 393 T CB -0.137 68.850 68.868 0.197 0.000 0.975 393 T HN 0.662 nan 8.240 nan 0.000 0.518 394 G N -0.116 108.933 108.800 0.416 0.000 2.319 394 G HA2 0.544 4.504 3.960 -0.000 0.000 0.308 394 G HA3 0.544 4.504 3.960 -0.000 0.000 0.308 394 G C 0.746 175.708 174.900 0.104 0.000 1.117 394 G CA -0.285 44.971 45.100 0.261 0.000 0.903 394 G HN 0.280 nan 8.290 nan 0.000 0.436 395 G N 2.146 110.951 108.800 0.008 0.000 2.572 395 G HA2 0.189 4.149 3.960 -0.000 0.000 0.214 395 G HA3 0.189 4.149 3.960 -0.000 0.000 0.214 395 G C 1.565 176.393 174.900 -0.119 0.000 1.246 395 G CA 0.942 46.028 45.100 -0.022 0.000 0.835 395 G HN 0.857 nan 8.290 nan 0.000 0.551 396 G N 0.299 108.973 108.800 -0.210 0.000 2.712 396 G HA2 0.301 4.261 3.960 -0.000 0.000 0.212 396 G HA3 0.301 4.261 3.960 -0.000 0.000 0.212 396 G C 1.675 176.146 174.900 -0.716 0.000 1.142 396 G CA 1.316 46.200 45.100 -0.360 0.000 0.789 396 G HN 0.648 nan 8.290 nan 0.000 0.535 397 A N 1.232 123.590 122.820 -0.769 0.000 1.935 397 A HA 0.120 4.440 4.320 -0.000 0.000 0.214 397 A C 2.655 179.921 177.584 -0.530 0.000 1.178 397 A CA 1.867 53.422 52.037 -0.802 0.000 0.640 397 A CB -0.459 18.020 19.000 -0.869 0.000 0.825 397 A HN 0.554 nan 8.150 nan 0.000 0.447 398 S N 0.526 115.996 115.700 -0.383 0.000 2.406 398 S HA -0.102 4.368 4.470 -0.000 0.000 0.228 398 S C 1.859 176.276 174.600 -0.305 0.000 1.020 398 S CA 1.265 59.234 58.200 -0.385 0.000 0.965 398 S CB -0.757 62.262 63.200 -0.302 0.000 0.798 398 S HN 0.805 nan 8.310 nan 0.000 0.488 399 L N 0.292 121.394 121.223 -0.201 0.000 2.179 399 L HA 0.295 4.635 4.340 -0.000 0.000 0.208 399 L C 2.172 178.969 176.870 -0.121 0.000 1.096 399 L CA 1.460 56.232 54.840 -0.115 0.000 0.779 399 L CB -0.824 41.189 42.059 -0.077 0.000 0.922 399 L HN 0.087 nan 8.230 nan 0.000 0.443 400 E N 0.474 120.561 120.200 -0.187 0.000 2.153 400 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 400 E C 2.240 178.779 176.600 -0.102 0.000 0.988 400 E CA 1.419 57.734 56.400 -0.142 0.000 0.811 400 E CB -0.179 29.415 29.700 -0.176 0.000 0.746 400 E HN 0.609 nan 8.360 nan 0.000 0.466 401 L N 0.357 121.499 121.223 -0.135 0.000 2.044 401 L HA -0.148 4.192 4.340 -0.000 0.000 0.205 401 L C 2.424 179.283 176.870 -0.020 0.000 1.075 401 L CA 0.753 55.547 54.840 -0.077 0.000 0.747 401 L CB -0.227 41.757 42.059 -0.126 0.000 0.903 401 L HN 0.153 nan 8.230 nan 0.000 0.435 402 L N -0.609 120.598 121.223 -0.026 0.000 2.141 402 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 402 L C 1.930 178.823 176.870 0.038 0.000 1.094 402 L CA 0.973 55.846 54.840 0.053 0.000 0.763 402 L CB -0.459 41.652 42.059 0.086 0.000 0.908 402 L HN 0.258 nan 8.230 nan 0.000 0.437 403 E N 0.537 120.741 120.200 0.006 0.000 2.533 403 E HA -0.027 4.322 4.350 -0.000 0.000 0.201 403 E C 1.252 177.860 176.600 0.013 0.000 1.097 403 E CA 0.406 56.811 56.400 0.007 0.000 0.887 403 E CB -0.172 29.524 29.700 -0.008 0.000 0.855 403 E HN 0.538 nan 8.360 nan 0.000 0.540 404 G N 2.078 110.890 108.800 0.020 0.000 2.283 404 G HA2 -0.347 3.612 3.960 -0.000 0.000 0.280 404 G HA3 -0.347 3.612 3.960 -0.000 0.000 0.280 404 G C 0.101 175.009 174.900 0.012 0.000 1.029 404 G CA 0.749 45.864 45.100 0.024 0.000 0.840 404 G HN 0.212 nan 8.290 nan 0.000 0.505 405 K N -1.453 118.947 120.400 -0.000 0.000 2.362 405 K HA 0.706 5.026 4.320 -0.000 0.000 0.245 405 K C 0.275 176.874 176.600 -0.001 0.000 1.040 405 K CA -0.733 55.552 56.287 -0.003 0.000 0.961 405 K CB 1.480 33.973 32.500 -0.011 0.000 1.252 405 K HN 0.096 nan 8.250 nan 0.000 0.503 406 V N 1.938 121.851 119.914 -0.001 0.000 2.547 406 V HA 0.319 4.439 4.120 -0.000 0.000 0.299 406 V C -1.021 175.071 176.094 -0.003 0.000 1.040 406 V CA -0.788 61.513 62.300 0.002 0.000 0.913 406 V CB 1.179 33.004 31.823 0.003 0.000 0.992 406 V HN 0.434 nan 8.190 nan 0.000 0.449 407 L N 8.319 129.543 121.223 0.001 0.000 2.287 407 L HA 0.352 4.692 4.340 -0.000 0.000 0.280 407 L C -1.607 175.260 176.870 -0.006 0.000 1.055 407 L CA -1.574 53.263 54.840 -0.005 0.000 0.863 407 L CB 1.390 43.449 42.059 0.000 0.000 1.245 407 L HN 0.502 nan 8.230 nan 0.000 0.432 408 P HA -0.180 nan 4.420 nan 0.000 0.217 408 P C 1.592 178.883 177.300 -0.015 0.000 1.151 408 P CA 1.264 64.347 63.100 -0.028 0.000 0.849 408 P CB 0.333 31.996 31.700 -0.062 0.000 0.787 409 G N -0.462 108.327 108.800 -0.020 0.000 2.440 409 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 409 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 409 G C 1.585 176.511 174.900 0.044 0.000 1.154 409 G CA 0.919 46.027 45.100 0.013 0.000 0.767 409 G HN 0.171 nan 8.290 nan 0.000 0.552 410 V N 1.009 120.948 119.914 0.042 0.000 2.307 410 V HA -0.158 3.962 4.120 -0.000 0.000 0.245 410 V C 2.476 178.594 176.094 0.040 0.000 1.045 410 V CA 1.990 64.322 62.300 0.052 0.000 1.024 410 V CB -0.504 31.357 31.823 0.064 0.000 0.651 410 V HN 0.312 nan 8.190 nan 0.000 0.449 411 D N 0.608 121.024 120.400 0.027 0.000 2.116 411 D HA -0.214 4.425 4.640 -0.000 0.000 0.193 411 D C 2.155 178.467 176.300 0.021 0.000 0.998 411 D CA 1.924 55.935 54.000 0.019 0.000 0.836 411 D CB -0.040 40.766 40.800 0.009 0.000 0.951 411 D HN 0.449 nan 8.370 nan 0.000 0.449 412 A N 0.802 123.636 122.820 0.023 0.000 2.131 412 A HA -0.075 4.244 4.320 -0.000 0.000 0.220 412 A C 1.388 178.999 177.584 0.045 0.000 1.158 412 A CA 0.382 52.434 52.037 0.024 0.000 0.665 412 A CB -0.429 18.583 19.000 0.021 0.000 0.795 412 A HN 0.196 nan 8.150 nan 0.000 0.460 413 L N 0.486 121.744 121.223 0.058 0.000 2.473 413 L HA 0.078 4.418 4.340 -0.000 0.000 0.268 413 L C 0.639 177.534 176.870 0.042 0.000 1.215 413 L CA -0.488 54.392 54.840 0.067 0.000 0.823 413 L CB 0.420 42.509 42.059 0.051 0.000 1.099 413 L HN 0.117 nan 8.230 nan 0.000 0.483 414 S N 1.255 116.981 115.700 0.042 0.000 2.560 414 S HA 0.044 4.513 4.470 -0.000 0.000 0.284 414 S C -0.023 174.588 174.600 0.017 0.000 1.327 414 S CA -0.493 57.722 58.200 0.025 0.000 1.055 414 S CB 0.235 63.450 63.200 0.025 0.000 0.868 414 S HN 0.468 nan 8.310 nan 0.000 0.506 415 N N 1.654 120.362 118.700 0.012 0.000 2.529 415 N HA 0.354 5.094 4.740 -0.000 0.000 0.278 415 N C 0.372 175.886 175.510 0.008 0.000 1.146 415 N CA -0.318 52.737 53.050 0.009 0.000 0.980 415 N CB 0.363 38.855 38.487 0.007 0.000 1.124 415 N HN 0.566 nan 8.380 nan 0.000 0.458 416 I N 0.000 120.574 120.570 0.006 0.000 2.984 416 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 416 I CA 0.000 61.303 61.300 0.006 0.000 1.566 416 I CB 0.000 38.003 38.000 0.005 0.000 1.214 416 I HN 0.000 nan 8.210 nan 0.000 0.494